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 2wxm_1_A DATA FIRST_RESID 109 DATA SEQUENCE VKKLINSQIS LLIGKGLHEF DSLRDPEVND FRTKMRQFCE EAAAHRQQLG DATA SEQUENCE WVEWLQYSFP LQLEPXXXXX XXXXXXXXNR ALLVNVKFEG SEESFTFQVS DATA SEQUENCE TKDMPLALMA CALRKKATVF RQXXXXQPEE YALQVNGRHE YLYGNYPLCH DATA SEQUENCE FQYICSCLHS GLTPHLTMVH SSSILAMRDE QSNXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXLWS LEQPFSIELI EGRKVNAXXX MKLVVQAGLF HGNEMLCKTV DATA SEQUENCE SSSEVNVCSE PVWKQRLEFD ISVCDLPRMA RLCFALYAVV XXXXXXXXXX DATA SEQUENCE XXXXXXDCPI AWANLMLFDY KDQLKTGERC LYMWPSVXXX XXXLLNPAGT DATA SEQUENCE VRGNPNTESA AALVIYLPEV AXXPVYFPAL EKILELXXXX XXXXXXXXXX DATA SEQUENCE XXLREILERX XXXELYEHEK DLVWKMRHEV QEHFPEALAR LLLVTKWNKH DATA SEQUENCE EDVAQMLYLL CSWPELPVLS ALELLDFSFP DCYVGSFAIK SLRKLTDDEL DATA SEQUENCE FQYLLQLVQV LKYESYLDCE LTKFLLGRAL ANRKIGHFLF WHLRSEMHVP DATA SEQUENCE SVALRFGLIM EAYCRGSTHH MKVLMKQGEA LSKLKALNDF VKVSSQKTTK DATA SEQUENCE PQTKEMMHMC MRQETYMEAL SHLQSPLDPS TLLEEVCVEQ CTFMDSKMKP DATA SEQUENCE LWIMYSSEEA GSAGNVGIIF KNGDDLRQDM LTLQMIQLMD VLWKQEGLDL DATA SEQUENCE RMTPYGCLPT GDRTGLIEVV LHSDTIANIQ LNKSNMAATA AFNKDALLNW DATA SEQUENCE LKSKNPGEAL DRAIEEFTLS CAGYCVATYV LGIGDRHSDN IMIRESGQLF DATA SEQUENCE HIDFGHFLGN FXXXXXXXXX RVPFILTYDF VHVIQQGKTN NSEKFERFRG DATA SEQUENCE YCERAYTILR RHGLLFLHLF ALMRAAGLPE LSCSKDIQYL KDSLALGKTE DATA SEQUENCE EEALKHFRVK FNEALRESW 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 109 V HA 0.000 nan 4.120 nan 0.000 0.244 109 V C 0.000 176.102 176.094 0.013 0.000 1.182 109 V CA 0.000 62.306 62.300 0.010 0.000 1.235 109 V CB 0.000 31.828 31.823 0.007 0.000 1.184 110 K N 2.161 122.570 120.400 0.014 0.000 2.152 110 K HA -0.203 4.339 4.320 0.369 0.000 0.206 110 K C 1.720 178.335 176.600 0.025 0.000 1.048 110 K CA 2.598 58.897 56.287 0.019 0.000 0.933 110 K CB -0.195 32.317 32.500 0.019 0.000 0.721 110 K HN 0.402 nan 8.250 nan 0.000 0.447 111 K N 0.254 120.667 120.400 0.023 0.000 2.025 111 K HA -0.088 4.453 4.320 0.369 0.000 0.207 111 K C 1.975 178.590 176.600 0.025 0.000 1.049 111 K CA 1.354 57.656 56.287 0.025 0.000 0.933 111 K CB -0.463 32.049 32.500 0.020 0.000 0.714 111 K HN 0.226 nan 8.250 nan 0.000 0.438 112 L N 0.837 122.071 121.223 0.019 0.000 2.012 112 L HA -0.104 4.457 4.340 0.369 0.000 0.210 112 L C 2.044 178.925 176.870 0.019 0.000 1.073 112 L CA 1.680 56.530 54.840 0.016 0.000 0.748 112 L CB -0.285 41.781 42.059 0.011 0.000 0.891 112 L HN 0.305 nan 8.230 nan 0.000 0.431 113 I N -0.364 120.218 120.570 0.020 0.000 2.226 113 I HA -0.296 4.095 4.170 0.369 0.000 0.245 113 I C 2.099 178.236 176.117 0.033 0.000 1.100 113 I CA 1.088 62.401 61.300 0.021 0.000 1.374 113 I CB -0.533 37.477 38.000 0.018 0.000 1.057 113 I HN 0.405 nan 8.210 nan 0.000 0.413 114 N N 0.693 119.418 118.700 0.041 0.000 2.120 114 N HA -0.167 4.794 4.740 0.369 0.000 0.188 114 N C 2.079 177.623 175.510 0.056 0.000 1.024 114 N CA 1.967 55.051 53.050 0.058 0.000 0.852 114 N CB -0.382 38.143 38.487 0.064 0.000 1.003 114 N HN 0.406 nan 8.380 nan 0.000 0.424 115 S N 0.590 116.317 115.700 0.045 0.000 2.383 115 S HA -0.090 4.601 4.470 0.369 0.000 0.227 115 S C 1.862 176.483 174.600 0.036 0.000 1.026 115 S CA 0.700 58.925 58.200 0.042 0.000 0.981 115 S CB -0.349 62.871 63.200 0.034 0.000 0.818 115 S HN 0.295 nan 8.310 nan 0.000 0.472 116 Q N 0.857 120.674 119.800 0.028 0.000 2.096 116 Q HA -0.006 4.555 4.340 0.369 0.000 0.204 116 Q C 2.239 178.255 176.000 0.027 0.000 0.982 116 Q CA 1.827 57.642 55.803 0.019 0.000 0.850 116 Q CB -0.502 28.240 28.738 0.006 0.000 0.901 116 Q HN 0.607 nan 8.270 nan 0.000 0.422 117 I N 0.321 120.915 120.570 0.041 0.000 2.127 117 I HA -0.321 4.070 4.170 0.369 0.000 0.241 117 I C 2.318 178.479 176.117 0.073 0.000 1.075 117 I CA 1.124 62.464 61.300 0.066 0.000 1.334 117 I CB -0.300 37.754 38.000 0.090 0.000 1.040 117 I HN 0.120 nan 8.210 nan 0.000 0.405 118 S N 0.799 116.534 115.700 0.059 0.000 2.374 118 S HA -0.226 4.466 4.470 0.369 0.000 0.227 118 S C 1.909 176.530 174.600 0.035 0.000 1.037 118 S CA 1.605 59.825 58.200 0.034 0.000 1.024 118 S CB -0.516 62.700 63.200 0.026 0.000 0.861 118 S HN 0.334 nan 8.310 nan 0.000 0.456 119 L N 1.269 122.517 121.223 0.041 0.000 2.027 119 L HA 0.015 4.577 4.340 0.369 0.000 0.206 119 L C 2.104 179.010 176.870 0.059 0.000 1.074 119 L CA 1.371 56.236 54.840 0.043 0.000 0.745 119 L CB -0.593 41.487 42.059 0.035 0.000 0.898 119 L HN 0.257 nan 8.230 nan 0.000 0.433 120 L N 0.111 121.371 121.223 0.062 0.000 2.017 120 L HA -0.170 4.391 4.340 0.369 0.000 0.208 120 L C 2.234 179.192 176.870 0.147 0.000 1.073 120 L CA 2.321 57.215 54.840 0.090 0.000 0.745 120 L CB -0.588 41.498 42.059 0.044 0.000 0.894 120 L HN 0.515 nan 8.230 nan 0.000 0.432 121 I N -4.036 116.608 120.570 0.124 0.000 3.578 121 I HA 0.336 4.728 4.170 0.369 0.000 0.295 121 I C 1.412 177.563 176.117 0.056 0.000 1.280 121 I CA 0.589 61.949 61.300 0.100 0.000 1.347 121 I CB -0.661 37.420 38.000 0.135 0.000 1.051 121 I HN 0.349 nan 8.210 nan 0.000 0.460 122 G N 2.059 110.890 108.800 0.053 0.000 2.176 122 G HA2 -0.325 3.856 3.960 0.369 0.000 0.252 122 G HA3 -0.325 3.856 3.960 0.369 0.000 0.252 122 G C 0.034 174.932 174.900 -0.002 0.000 1.024 122 G CA 0.581 45.703 45.100 0.038 0.000 0.755 122 G HN 0.658 nan 8.290 nan 0.000 0.507 123 K N -0.345 120.031 120.400 -0.041 0.000 2.535 123 K HA 0.562 5.104 4.320 0.369 0.000 0.251 123 K C 0.473 176.925 176.600 -0.246 0.000 0.942 123 K CA -0.273 55.919 56.287 -0.159 0.000 0.798 123 K CB 1.171 33.554 32.500 -0.194 0.000 1.267 123 K HN 0.517 nan 8.250 nan 0.000 0.434 124 G N 3.756 112.346 108.800 -0.349 0.000 2.378 124 G HA2 0.161 4.343 3.960 0.369 0.000 0.255 124 G HA3 0.161 4.343 3.960 0.369 0.000 0.255 124 G C 0.883 175.382 174.900 -0.668 0.000 1.270 124 G CA -0.458 44.392 45.100 -0.416 0.000 0.876 124 G HN 0.698 nan 8.290 nan 0.000 0.521 125 L N 1.666 122.700 121.223 -0.314 0.000 2.261 125 L HA -0.160 4.401 4.340 0.369 0.000 0.216 125 L C 2.622 179.403 176.870 -0.149 0.000 1.114 125 L CA 1.577 56.312 54.840 -0.176 0.000 0.777 125 L CB -0.438 41.680 42.059 0.098 0.000 0.910 125 L HN 0.932 nan 8.230 nan 0.000 0.440 126 H N -1.565 117.450 119.070 -0.091 0.000 2.457 126 H HA -0.088 4.689 4.556 0.369 0.000 0.294 126 H C 1.794 177.081 175.328 -0.068 0.000 1.064 126 H CA 0.876 56.898 56.048 -0.043 0.000 1.330 126 H CB -0.375 29.365 29.762 -0.037 0.000 1.395 126 H HN 0.343 nan 8.280 nan 0.000 0.541 127 E N 0.171 120.021 120.200 -0.584 0.000 2.204 127 E HA -0.106 4.465 4.350 0.369 0.000 0.194 127 E C 1.066 177.557 176.600 -0.181 0.000 0.989 127 E CA 0.795 56.959 56.400 -0.394 0.000 0.824 127 E CB -0.114 29.241 29.700 -0.575 0.000 0.756 127 E HN 0.461 nan 8.360 nan 0.000 0.477 128 F N 1.701 121.610 119.950 -0.068 0.000 2.186 128 F HA -0.113 4.636 4.527 0.370 0.000 0.299 128 F C 1.944 177.750 175.800 0.010 0.000 1.090 128 F CA 0.817 58.805 58.000 -0.020 0.000 1.307 128 F CB -0.454 38.545 39.000 -0.001 0.000 1.019 128 F HN -0.060 nan 8.300 nan 0.000 0.489 129 D N -0.608 119.905 120.400 0.189 0.000 2.123 129 D HA -0.096 4.766 4.640 0.369 0.000 0.200 129 D C 2.288 178.651 176.300 0.104 0.000 0.976 129 D CA 1.261 55.345 54.000 0.140 0.000 0.831 129 D CB -0.592 40.284 40.800 0.126 0.000 0.974 129 D HN 0.115 nan 8.370 nan 0.000 0.469 130 S N 0.558 116.311 115.700 0.088 0.000 2.442 130 S HA -0.046 4.646 4.470 0.369 0.000 0.236 130 S C 2.064 176.698 174.600 0.058 0.000 1.007 130 S CA 0.342 58.583 58.200 0.067 0.000 0.965 130 S CB -0.145 63.090 63.200 0.059 0.000 0.773 130 S HN 0.263 nan 8.310 nan 0.000 0.504 131 L N 1.024 122.289 121.223 0.071 0.000 2.376 131 L HA 0.079 4.640 4.340 0.369 0.000 0.219 131 L C 0.546 177.456 176.870 0.066 0.000 1.133 131 L CA 0.200 55.078 54.840 0.064 0.000 0.816 131 L CB -0.360 41.748 42.059 0.080 0.000 0.933 131 L HN 0.198 nan 8.230 nan 0.000 0.449 132 R N 0.611 121.155 120.500 0.073 0.000 3.301 132 R HA -0.213 4.349 4.340 0.369 0.000 0.249 132 R C -0.381 175.964 176.300 0.075 0.000 0.964 132 R CA 0.599 56.742 56.100 0.071 0.000 0.653 132 R CB -2.471 27.866 30.300 0.062 0.000 1.043 132 R HN 0.326 nan 8.270 nan 0.000 0.454 133 D N 0.002 120.447 120.400 0.076 0.000 2.303 133 D HA 0.328 5.190 4.640 0.369 0.000 0.236 133 D C -1.487 174.858 176.300 0.075 0.000 1.068 133 D CA -2.657 51.389 54.000 0.076 0.000 0.830 133 D CB 1.622 42.458 40.800 0.060 0.000 1.109 133 D HN -0.118 nan 8.370 nan 0.000 0.496 134 P HA -0.105 nan 4.420 nan 0.000 0.216 134 P C 1.131 178.465 177.300 0.056 0.000 1.153 134 P CA 0.828 64.013 63.100 0.141 0.000 0.848 134 P CB 0.396 32.245 31.700 0.250 0.000 0.787 135 E N -0.209 119.925 120.200 -0.111 0.000 2.058 135 E HA -0.157 4.415 4.350 0.369 0.000 0.194 135 E C 1.892 178.349 176.600 -0.239 0.000 0.997 135 E CA 1.287 57.325 56.400 -0.602 0.000 0.801 135 E CB -0.389 28.852 29.700 -0.765 0.000 0.746 135 E HN -0.084 nan 8.360 nan 0.000 0.450 136 V N 1.875 121.722 119.914 -0.112 0.000 2.332 136 V HA -0.280 4.062 4.120 0.369 0.000 0.248 136 V C 1.984 178.084 176.094 0.010 0.000 1.055 136 V CA 1.971 64.232 62.300 -0.065 0.000 1.038 136 V CB -0.636 31.157 31.823 -0.050 0.000 0.651 136 V HN 0.300 nan 8.190 nan 0.000 0.450 137 N N 0.333 119.047 118.700 0.024 0.000 2.120 137 N HA -0.144 4.818 4.740 0.369 0.000 0.188 137 N C 1.532 177.075 175.510 0.054 0.000 1.024 137 N CA 1.653 54.733 53.050 0.052 0.000 0.852 137 N CB -0.453 38.074 38.487 0.066 0.000 1.003 137 N HN 0.500 nan 8.380 nan 0.000 0.424 138 D N 0.025 120.453 120.400 0.047 0.000 2.103 138 D HA -0.105 4.756 4.640 0.369 0.000 0.199 138 D C 1.772 178.092 176.300 0.033 0.000 0.978 138 D CA 0.396 54.426 54.000 0.049 0.000 0.829 138 D CB -0.634 40.216 40.800 0.083 0.000 0.981 138 D HN 0.180 nan 8.370 nan 0.000 0.464 139 F N 2.333 122.222 119.950 -0.102 0.000 2.043 139 F HA -0.290 4.458 4.527 0.369 0.000 0.297 139 F C 2.443 178.201 175.800 -0.071 0.000 1.118 139 F CA 1.847 59.790 58.000 -0.095 0.000 1.202 139 F CB -0.010 38.913 39.000 -0.129 0.000 0.965 139 F HN -0.198 nan 8.300 nan 0.000 0.482 140 R N -0.355 120.243 120.500 0.163 0.000 2.094 140 R HA -0.207 4.355 4.340 0.369 0.000 0.239 140 R C 2.400 178.681 176.300 -0.032 0.000 1.137 140 R CA 2.540 58.677 56.100 0.062 0.000 0.943 140 R CB -1.282 29.053 30.300 0.059 0.000 0.850 140 R HN 0.551 nan 8.270 nan 0.000 0.433 141 T N -0.625 113.922 114.554 -0.012 0.000 2.737 141 T HA -0.156 4.415 4.350 0.369 0.000 0.265 141 T C 1.932 176.607 174.700 -0.041 0.000 1.038 141 T CA 1.379 63.472 62.100 -0.011 0.000 1.144 141 T CB -0.109 68.767 68.868 0.014 0.000 0.866 141 T HN 0.056 nan 8.240 nan 0.000 0.434 142 K N 0.361 120.715 120.400 -0.077 0.000 2.026 142 K HA 0.064 4.606 4.320 0.369 0.000 0.208 142 K C 2.424 178.961 176.600 -0.105 0.000 1.048 142 K CA 1.374 57.610 56.287 -0.086 0.000 0.929 142 K CB -0.356 32.073 32.500 -0.119 0.000 0.713 142 K HN 0.238 nan 8.250 nan 0.000 0.439 143 M N 0.100 119.554 119.600 -0.244 0.000 2.175 143 M HA -0.065 4.637 4.480 0.369 0.000 0.264 143 M C 2.163 178.439 176.300 -0.039 0.000 1.063 143 M CA 1.404 56.571 55.300 -0.222 0.000 1.119 143 M CB -0.813 31.438 32.600 -0.582 0.000 1.377 143 M HN 0.195 nan 8.290 nan 0.000 0.415 144 R N 0.240 120.709 120.500 -0.050 0.000 2.105 144 R HA -0.206 4.356 4.340 0.369 0.000 0.239 144 R C 2.185 178.484 176.300 -0.001 0.000 1.135 144 R CA 1.778 57.871 56.100 -0.010 0.000 0.967 144 R CB -0.130 30.168 30.300 -0.003 0.000 0.861 144 R HN 0.436 nan 8.270 nan 0.000 0.442 145 Q N -0.581 119.225 119.800 0.010 0.000 2.020 145 Q HA -0.204 4.357 4.340 0.369 0.000 0.202 145 Q C 1.851 177.871 176.000 0.034 0.000 0.982 145 Q CA 2.030 57.844 55.803 0.018 0.000 0.838 145 Q CB -0.247 28.508 28.738 0.028 0.000 0.899 145 Q HN 0.371 nan 8.270 nan 0.000 0.423 146 F N 0.379 120.282 119.950 -0.078 0.000 2.065 146 F HA -0.326 4.423 4.527 0.369 0.000 0.298 146 F C 2.169 177.927 175.800 -0.069 0.000 1.112 146 F CA 1.675 59.630 58.000 -0.073 0.000 1.212 146 F CB -0.703 38.243 39.000 -0.089 0.000 0.975 146 F HN 0.200 nan 8.300 nan 0.000 0.476 147 C N 0.550 119.799 119.300 -0.084 0.000 2.429 147 C HA -0.168 4.514 4.460 0.369 0.000 0.277 147 C C 2.642 177.516 174.990 -0.195 0.000 1.262 147 C CA 1.382 60.295 59.018 -0.175 0.000 1.733 147 C CB -1.303 26.412 27.740 -0.042 0.000 2.010 147 C HN 0.545 nan 8.230 nan 0.000 0.483 148 E N 0.430 120.554 120.200 -0.125 0.000 2.150 148 E HA -0.187 4.384 4.350 0.369 0.000 0.193 148 E C 2.013 178.536 176.600 -0.127 0.000 0.985 148 E CA 0.930 57.266 56.400 -0.107 0.000 0.814 148 E CB -0.132 29.531 29.700 -0.062 0.000 0.752 148 E HN 0.666 nan 8.360 nan 0.000 0.466 149 E N 0.551 120.654 120.200 -0.161 0.000 2.072 149 E HA -0.174 4.398 4.350 0.369 0.000 0.191 149 E C 2.067 178.550 176.600 -0.195 0.000 0.985 149 E CA 0.878 57.182 56.400 -0.161 0.000 0.801 149 E CB -0.076 29.522 29.700 -0.171 0.000 0.750 149 E HN 0.229 nan 8.360 nan 0.000 0.452 150 A N 1.494 124.121 122.820 -0.322 0.000 1.865 150 A HA -0.218 4.323 4.320 0.369 0.000 0.217 150 A C 2.418 179.897 177.584 -0.175 0.000 1.191 150 A CA 1.981 53.836 52.037 -0.305 0.000 0.623 150 A CB -0.912 17.850 19.000 -0.396 0.000 0.826 150 A HN 0.320 nan 8.150 nan 0.000 0.444 151 A N -0.435 122.281 122.820 -0.173 0.000 1.978 151 A HA 0.130 4.672 4.320 0.369 0.000 0.220 151 A C 2.456 179.982 177.584 -0.096 0.000 1.170 151 A CA 2.179 54.132 52.037 -0.140 0.000 0.636 151 A CB -0.905 18.021 19.000 -0.123 0.000 0.810 151 A HN 1.093 nan 8.150 nan 0.000 0.448 152 A N -0.985 121.789 122.820 -0.076 0.000 1.873 152 A HA -0.138 4.404 4.320 0.369 0.000 0.215 152 A C 1.979 179.541 177.584 -0.037 0.000 1.186 152 A CA 1.891 53.895 52.037 -0.054 0.000 0.616 152 A CB -0.905 18.067 19.000 -0.045 0.000 0.823 152 A HN 0.775 nan 8.150 nan 0.000 0.442 153 H N -0.502 118.492 119.070 -0.127 0.000 2.387 153 H HA -0.131 4.647 4.556 0.369 0.000 0.299 153 H C 2.214 177.470 175.328 -0.120 0.000 1.099 153 H CA 2.060 58.037 56.048 -0.118 0.000 1.315 153 H CB -0.058 29.624 29.762 -0.133 0.000 1.380 153 H HN 0.459 nan 8.280 nan 0.000 0.513 154 R N -0.297 120.167 120.500 -0.060 0.000 2.075 154 R HA -0.083 4.478 4.340 0.369 0.000 0.232 154 R C 1.755 178.004 176.300 -0.085 0.000 1.126 154 R CA 1.365 57.387 56.100 -0.130 0.000 0.963 154 R CB 0.140 30.287 30.300 -0.256 0.000 0.858 154 R HN 0.326 nan 8.270 nan 0.000 0.435 155 Q N 0.414 120.162 119.800 -0.087 0.000 2.515 155 Q HA -0.123 4.438 4.340 0.369 0.000 0.212 155 Q C 0.746 176.684 176.000 -0.104 0.000 0.970 155 Q CA 1.006 56.757 55.803 -0.087 0.000 0.941 155 Q CB 0.503 29.190 28.738 -0.086 0.000 0.998 155 Q HN 0.685 nan 8.270 nan 0.000 0.518 156 Q N -1.501 118.224 119.800 -0.125 0.000 2.164 156 Q HA 0.259 4.820 4.340 0.369 0.000 0.226 156 Q C 0.159 176.071 176.000 -0.148 0.000 0.813 156 Q CA -0.220 55.504 55.803 -0.132 0.000 0.978 156 Q CB 0.199 28.853 28.738 -0.140 0.000 1.149 156 Q HN 0.127 nan 8.270 nan 0.000 0.489 157 L N 2.237 123.373 121.223 -0.145 0.000 2.506 157 L HA 0.126 4.687 4.340 0.369 0.000 0.281 157 L C 1.071 177.915 176.870 -0.043 0.000 1.228 157 L CA 0.303 55.077 54.840 -0.109 0.000 0.850 157 L CB 0.134 42.174 42.059 -0.031 0.000 1.110 157 L HN 0.291 nan 8.230 nan 0.000 0.496 158 G N 1.654 110.414 108.800 -0.066 0.000 2.699 158 G HA2 -0.084 4.098 3.960 0.369 0.000 0.246 158 G HA3 -0.084 4.098 3.960 0.369 0.000 0.246 158 G C 0.754 175.645 174.900 -0.016 0.000 1.219 158 G CA -0.154 44.909 45.100 -0.062 0.000 0.866 158 G HN 1.037 nan 8.290 nan 0.000 0.572 159 W N 0.179 121.449 121.300 -0.049 0.000 2.381 159 W HA -0.095 4.787 4.660 0.369 0.000 0.301 159 W C 1.443 177.943 176.519 -0.031 0.000 1.205 159 W CA 1.133 58.451 57.345 -0.044 0.000 1.285 159 W CB -1.242 28.143 29.460 -0.125 0.000 1.133 159 W HN 0.206 nan 8.180 nan 0.000 0.521 160 V N 2.259 121.546 119.914 -1.045 0.000 2.332 160 V HA -0.314 4.027 4.120 0.369 0.000 0.248 160 V C 2.480 178.350 176.094 -0.374 0.000 1.055 160 V CA 2.598 64.359 62.300 -0.898 0.000 1.038 160 V CB -0.916 30.281 31.823 -1.043 0.000 0.651 160 V HN 0.148 nan 8.190 nan 0.000 0.450 161 E N -0.893 119.163 120.200 -0.239 0.000 2.204 161 E HA -0.225 4.346 4.350 0.369 0.000 0.194 161 E C 1.964 178.552 176.600 -0.020 0.000 0.989 161 E CA 1.268 57.608 56.400 -0.100 0.000 0.824 161 E CB -0.191 29.463 29.700 -0.076 0.000 0.756 161 E HN 0.813 nan 8.360 nan 0.000 0.477 162 W N 1.573 122.803 121.300 -0.118 0.000 2.379 162 W HA -0.154 4.727 4.660 0.369 0.000 0.307 162 W C 1.525 178.001 176.519 -0.073 0.000 1.200 162 W CA 0.999 58.311 57.345 -0.055 0.000 1.297 162 W CB -0.392 29.040 29.460 -0.048 0.000 1.140 162 W HN 0.058 nan 8.180 nan 0.000 0.507 163 L N 0.988 122.187 121.223 -0.040 0.000 2.013 163 L HA -0.323 4.238 4.340 0.369 0.000 0.212 163 L C 2.835 179.573 176.870 -0.221 0.000 1.073 163 L CA 2.002 56.739 54.840 -0.173 0.000 0.753 163 L CB -1.056 40.774 42.059 -0.382 0.000 0.890 163 L HN 0.068 nan 8.230 nan 0.000 0.432 164 Q N -1.379 118.338 119.800 -0.138 0.000 2.135 164 Q HA -0.272 4.290 4.340 0.369 0.000 0.204 164 Q C 2.055 177.978 176.000 -0.129 0.000 0.981 164 Q CA 2.043 57.851 55.803 0.009 0.000 0.856 164 Q CB -0.268 28.498 28.738 0.047 0.000 0.902 164 Q HN 0.527 nan 8.270 nan 0.000 0.425 165 Y N -0.033 120.026 120.300 -0.401 0.000 2.163 165 Y HA -0.163 4.609 4.550 0.369 0.000 0.288 165 Y C 2.447 177.931 175.900 -0.692 0.000 1.136 165 Y CA 1.713 59.503 58.100 -0.517 0.000 1.147 165 Y CB -0.379 37.690 38.460 -0.652 0.000 0.987 165 Y HN -0.032 nan 8.280 nan 0.000 0.509 166 S N -1.096 113.742 115.700 -1.437 0.000 2.421 166 S HA 0.113 4.804 4.470 0.369 0.000 0.224 166 S C -0.103 173.667 174.600 -1.382 0.000 1.035 166 S CA 0.159 57.261 58.200 -1.829 0.000 0.953 166 S CB -0.297 61.578 63.200 -2.209 0.000 0.810 166 S HN 0.250 nan 8.310 nan 0.000 0.497 167 F N 2.335 122.079 119.950 -0.344 0.000 2.622 167 F HA 0.512 5.260 4.527 0.369 0.000 0.338 167 F C -2.829 172.983 175.800 0.020 0.000 1.334 167 F CA -3.042 54.908 58.000 -0.084 0.000 1.179 167 F CB 0.419 39.476 39.000 0.096 0.000 1.471 167 F HN -0.035 nan 8.300 nan 0.000 0.576 168 P HA 0.053 nan 4.420 nan 0.000 0.268 168 P C 0.245 177.576 177.300 0.051 0.000 1.205 168 P CA -0.074 63.044 63.100 0.030 0.000 0.771 168 P CB 0.910 32.564 31.700 -0.076 0.000 0.858 169 L N 2.804 124.024 121.223 -0.006 0.000 2.483 169 L HA 0.016 4.578 4.340 0.369 0.000 0.276 169 L C 0.962 177.798 176.870 -0.058 0.000 1.213 169 L CA 0.545 55.335 54.840 -0.083 0.000 0.843 169 L CB -0.085 41.824 42.059 -0.250 0.000 1.107 169 L HN 0.347 nan 8.230 nan 0.000 0.487 170 Q N 4.398 124.201 119.800 0.005 0.000 2.506 170 Q HA 0.465 5.027 4.340 0.369 0.000 0.242 170 Q C -1.011 174.988 176.000 -0.002 0.000 1.060 170 Q CA -0.222 55.583 55.803 0.003 0.000 0.826 170 Q CB 1.355 30.117 28.738 0.042 0.000 1.169 170 Q HN 0.497 nan 8.270 nan 0.000 0.521 171 L N 0.673 121.829 121.223 -0.111 0.000 2.358 171 L HA 0.433 4.995 4.340 0.369 0.000 0.268 171 L C 0.571 177.370 176.870 -0.119 0.000 1.032 171 L CA -1.074 53.645 54.840 -0.201 0.000 0.805 171 L CB 1.025 42.871 42.059 -0.355 0.000 1.253 171 L HN 0.364 nan 8.230 nan 0.000 0.452 172 E N 1.372 121.494 120.200 -0.130 0.000 2.338 172 E HA 0.267 4.838 4.350 0.369 0.000 0.272 172 E C -1.919 174.610 176.600 -0.119 0.000 1.029 172 E CA -1.364 54.983 56.400 -0.088 0.000 0.872 172 E CB 0.594 30.253 29.700 -0.068 0.000 1.015 172 E HN 0.334 nan 8.360 nan 0.000 0.417 188 R N 0.979 121.485 120.500 0.010 0.000 2.744 188 R HA 0.819 5.381 4.340 0.369 0.000 0.279 188 R C -1.355 174.950 176.300 0.009 0.000 0.977 188 R CA -0.318 55.787 56.100 0.008 0.000 0.906 188 R CB 1.741 32.044 30.300 0.005 0.000 1.197 188 R HN 0.336 nan 8.270 nan 0.000 0.463 189 A N 3.619 126.445 122.820 0.010 0.000 2.295 189 A HA 0.709 5.251 4.320 0.369 0.000 0.318 189 A C -0.583 177.009 177.584 0.013 0.000 1.134 189 A CA -0.684 51.361 52.037 0.014 0.000 0.827 189 A CB 0.672 19.683 19.000 0.019 0.000 1.136 189 A HN 0.648 nan 8.150 nan 0.000 0.493 190 L N -0.436 120.798 121.223 0.019 0.000 2.466 190 L HA 0.713 5.275 4.340 0.369 0.000 0.258 190 L C -1.334 175.556 176.870 0.033 0.000 0.973 190 L CA -0.880 53.970 54.840 0.017 0.000 0.826 190 L CB 1.568 43.630 42.059 0.005 0.000 1.372 190 L HN 0.541 nan 8.230 nan 0.000 0.409 191 L N 3.144 124.385 121.223 0.030 0.000 2.331 191 L HA 0.622 5.183 4.340 0.369 0.000 0.278 191 L C -0.597 176.293 176.870 0.034 0.000 1.106 191 L CA -0.559 54.304 54.840 0.038 0.000 0.824 191 L CB 1.583 43.658 42.059 0.028 0.000 1.142 191 L HN 0.486 nan 8.230 nan 0.000 0.443 192 V N 3.250 123.195 119.914 0.051 0.000 2.760 192 V HA 0.305 4.647 4.120 0.369 0.000 0.309 192 V C -0.288 175.801 176.094 -0.009 0.000 1.077 192 V CA -0.864 61.454 62.300 0.030 0.000 0.910 192 V CB 2.263 34.129 31.823 0.071 0.000 1.008 192 V HN 0.743 nan 8.190 nan 0.000 0.424 193 N N 2.596 121.188 118.700 -0.180 0.000 2.419 193 N HA 0.630 5.592 4.740 0.369 0.000 0.277 193 N C -1.414 174.015 175.510 -0.134 0.000 1.006 193 N CA -0.098 52.788 53.050 -0.273 0.000 0.923 193 N CB 1.879 39.926 38.487 -0.733 0.000 1.140 193 N HN 0.446 nan 8.380 nan 0.000 0.488 194 V N 3.147 123.065 119.914 0.007 0.000 2.823 194 V HA 0.556 4.897 4.120 0.369 0.000 0.312 194 V C -0.411 175.732 176.094 0.082 0.000 1.072 194 V CA -0.776 61.565 62.300 0.068 0.000 0.937 194 V CB 2.074 34.016 31.823 0.198 0.000 1.013 194 V HN 0.753 nan 8.190 nan 0.000 0.430 195 K N 1.930 122.324 120.400 -0.010 0.000 2.555 195 K HA 0.660 5.202 4.320 0.369 0.000 0.279 195 K C -1.782 174.777 176.600 -0.068 0.000 0.986 195 K CA -0.791 55.515 56.287 0.031 0.000 0.880 195 K CB 2.014 34.502 32.500 -0.020 0.000 1.474 195 K HN 0.314 nan 8.250 nan 0.000 0.433 196 F N 1.165 121.130 119.950 0.025 0.000 2.403 196 F HA 0.232 4.981 4.527 0.369 0.000 0.326 196 F C 2.038 177.844 175.800 0.009 0.000 1.081 196 F CA -0.416 57.597 58.000 0.021 0.000 1.041 196 F CB 1.639 40.642 39.000 0.005 0.000 1.234 196 F HN 0.865 nan 8.300 nan 0.000 0.503 197 E N 1.289 121.607 120.200 0.197 0.000 2.086 197 E HA -0.212 4.359 4.350 0.369 0.000 0.200 197 E C 2.140 178.789 176.600 0.082 0.000 1.012 197 E CA 1.733 58.201 56.400 0.114 0.000 0.812 197 E CB -0.274 29.497 29.700 0.118 0.000 0.743 197 E HN 0.926 nan 8.360 nan 0.000 0.453 198 G N -0.164 108.686 108.800 0.083 0.000 2.394 198 G HA2 -0.130 4.052 3.960 0.369 0.000 0.215 198 G HA3 -0.130 4.052 3.960 0.369 0.000 0.215 198 G C 0.845 175.749 174.900 0.007 0.000 1.165 198 G CA 0.571 45.687 45.100 0.026 0.000 0.784 198 G HN 0.242 nan 8.290 nan 0.000 0.535 199 S N -1.358 114.348 115.700 0.010 0.000 2.718 199 S HA 0.459 5.150 4.470 0.369 0.000 0.300 199 S C 0.893 175.482 174.600 -0.019 0.000 1.117 199 S CA -0.444 57.745 58.200 -0.020 0.000 1.002 199 S CB 2.018 65.183 63.200 -0.058 0.000 1.092 199 S HN 0.179 nan 8.310 nan 0.000 0.542 200 E N 1.099 121.277 120.200 -0.037 0.000 2.042 200 E HA 0.095 4.666 4.350 0.369 0.000 0.189 200 E C -0.141 176.401 176.600 -0.096 0.000 0.974 200 E CA 0.590 56.961 56.400 -0.048 0.000 0.806 200 E CB -0.113 29.565 29.700 -0.037 0.000 0.769 200 E HN 0.704 nan 8.360 nan 0.000 0.451 201 E N 0.833 120.955 120.200 -0.130 0.000 2.653 201 E HA 0.033 4.604 4.350 0.369 0.000 0.264 201 E C -0.435 175.921 176.600 -0.407 0.000 0.949 201 E CA 0.456 56.711 56.400 -0.242 0.000 0.953 201 E CB 0.383 29.940 29.700 -0.238 0.000 0.925 201 E HN 0.127 nan 8.360 nan 0.000 0.475 202 S N 1.689 117.066 115.700 -0.538 0.000 2.638 202 S HA 0.740 5.431 4.470 0.369 0.000 0.274 202 S C -1.098 173.030 174.600 -0.786 0.000 1.157 202 S CA -1.076 56.740 58.200 -0.640 0.000 0.826 202 S CB 0.917 63.960 63.200 -0.261 0.000 1.139 202 S HN 0.333 nan 8.310 nan 0.000 0.474 203 F N -0.118 119.728 119.950 -0.172 0.000 2.561 203 F HA 0.671 5.420 4.527 0.370 0.000 0.321 203 F C 0.176 175.714 175.800 -0.436 0.000 1.065 203 F CA -0.829 56.962 58.000 -0.348 0.000 0.934 203 F CB 2.317 40.991 39.000 -0.542 0.000 1.215 203 F HN 0.497 nan 8.300 nan 0.000 0.471 204 T N 2.803 117.208 114.554 -0.247 0.000 2.842 204 T HA 0.492 5.064 4.350 0.369 0.000 0.308 204 T C -0.805 173.762 174.700 -0.221 0.000 1.041 204 T CA -0.388 61.590 62.100 -0.204 0.000 0.964 204 T CB -0.050 68.753 68.868 -0.108 0.000 0.972 204 T HN 0.195 nan 8.240 nan 0.000 0.460 205 F N 1.907 121.873 119.950 0.026 0.000 2.378 205 F HA 0.444 5.193 4.527 0.369 0.000 0.325 205 F C 0.901 176.702 175.800 0.002 0.000 1.097 205 F CA -0.939 57.068 58.000 0.012 0.000 1.079 205 F CB 0.978 39.976 39.000 -0.003 0.000 1.240 205 F HN 0.307 nan 8.300 nan 0.000 0.519 206 Q N 2.415 122.348 119.800 0.223 0.000 2.271 206 Q HA 0.656 5.217 4.340 0.369 0.000 0.258 206 Q C -1.150 174.912 176.000 0.103 0.000 0.936 206 Q CA -0.596 55.282 55.803 0.123 0.000 0.909 206 Q CB 1.731 30.518 28.738 0.082 0.000 1.253 206 Q HN 0.688 nan 8.270 nan 0.000 0.440 207 V N -0.407 119.545 119.914 0.063 0.000 3.105 207 V HA 0.697 5.039 4.120 0.369 0.000 0.311 207 V C -0.740 175.365 176.094 0.019 0.000 1.287 207 V CA -0.996 61.319 62.300 0.025 0.000 1.066 207 V CB 1.587 33.409 31.823 -0.003 0.000 1.105 207 V HN 0.653 nan 8.190 nan 0.000 0.462 208 S N -0.217 115.488 115.700 0.009 0.000 2.525 208 S HA 0.428 5.119 4.470 0.369 0.000 0.290 208 S C 1.297 175.905 174.600 0.014 0.000 1.152 208 S CA 0.252 58.458 58.200 0.010 0.000 1.072 208 S CB 1.364 64.567 63.200 0.005 0.000 1.027 208 S HN 1.482 nan 8.310 nan 0.000 0.500 209 T N 2.271 116.834 114.554 0.016 0.000 2.869 209 T HA -0.198 4.373 4.350 0.369 0.000 0.270 209 T C 1.397 176.109 174.700 0.020 0.000 1.082 209 T CA 1.624 63.739 62.100 0.025 0.000 1.123 209 T CB -0.508 68.372 68.868 0.020 0.000 0.856 209 T HN 0.812 nan 8.240 nan 0.000 0.499 210 K N 0.801 121.204 120.400 0.005 0.000 2.243 210 K HA 0.075 4.617 4.320 0.369 0.000 0.201 210 K C 0.302 176.890 176.600 -0.020 0.000 1.051 210 K CA 0.275 56.552 56.287 -0.017 0.000 0.970 210 K CB -0.125 32.367 32.500 -0.012 0.000 0.755 210 K HN 0.205 nan 8.250 nan 0.000 0.465 211 D N 1.770 122.169 120.400 -0.002 0.000 2.449 211 D HA -0.019 4.843 4.640 0.369 0.000 0.236 211 D C 0.440 176.756 176.300 0.027 0.000 1.149 211 D CA 0.576 54.577 54.000 0.001 0.000 0.878 211 D CB 0.520 41.316 40.800 -0.007 0.000 1.198 211 D HN 0.065 nan 8.370 nan 0.000 0.446 212 M N 2.291 121.907 119.600 0.027 0.000 2.247 212 M HA 0.123 4.824 4.480 0.369 0.000 0.326 212 M C -1.377 174.974 176.300 0.085 0.000 1.134 212 M CA -1.830 53.512 55.300 0.070 0.000 1.136 212 M CB 0.068 32.694 32.600 0.043 0.000 1.454 212 M HN 0.013 nan 8.290 nan 0.000 0.467 213 P HA -0.101 nan 4.420 nan 0.000 0.218 213 P C 1.640 178.973 177.300 0.055 0.000 1.148 213 P CA 0.940 64.094 63.100 0.091 0.000 0.822 213 P CB 0.065 31.845 31.700 0.133 0.000 0.784 214 L N -0.634 120.634 121.223 0.075 0.000 2.083 214 L HA -0.105 4.456 4.340 0.369 0.000 0.209 214 L C 2.244 179.115 176.870 0.003 0.000 1.083 214 L CA 1.738 56.613 54.840 0.058 0.000 0.752 214 L CB -1.143 40.960 42.059 0.073 0.000 0.899 214 L HN -0.114 nan 8.230 nan 0.000 0.433 215 A N -0.581 122.231 122.820 -0.014 0.000 1.902 215 A HA -0.218 4.323 4.320 0.369 0.000 0.217 215 A C 2.319 179.826 177.584 -0.128 0.000 1.181 215 A CA 2.023 54.026 52.037 -0.057 0.000 0.623 215 A CB -0.892 18.081 19.000 -0.045 0.000 0.818 215 A HN 0.510 nan 8.150 nan 0.000 0.443 216 L N -0.890 120.256 121.223 -0.127 0.000 2.005 216 L HA -0.191 4.371 4.340 0.369 0.000 0.207 216 L C 2.761 179.475 176.870 -0.260 0.000 1.072 216 L CA 1.720 56.427 54.840 -0.221 0.000 0.744 216 L CB -0.267 41.713 42.059 -0.132 0.000 0.895 216 L HN 0.434 nan 8.230 nan 0.000 0.433 217 M N -0.755 118.757 119.600 -0.147 0.000 2.144 217 M HA -0.242 4.459 4.480 0.369 0.000 0.260 217 M C 2.351 178.565 176.300 -0.142 0.000 1.067 217 M CA 1.816 57.028 55.300 -0.146 0.000 1.095 217 M CB -0.655 31.913 32.600 -0.054 0.000 1.365 217 M HN 0.428 nan 8.290 nan 0.000 0.406 218 A N -0.341 122.408 122.820 -0.117 0.000 1.978 218 A HA -0.173 4.369 4.320 0.369 0.000 0.220 218 A C 2.288 179.776 177.584 -0.159 0.000 1.170 218 A CA 1.696 53.676 52.037 -0.096 0.000 0.636 218 A CB -1.109 17.849 19.000 -0.070 0.000 0.810 218 A HN 0.615 nan 8.150 nan 0.000 0.448 219 C N -1.276 117.826 119.300 -0.329 0.000 2.489 219 C HA 0.147 4.829 4.460 0.369 0.000 0.279 219 C C 3.308 178.101 174.990 -0.328 0.000 1.266 219 C CA 0.567 59.272 59.018 -0.522 0.000 1.707 219 C CB -1.338 25.628 27.740 -1.289 0.000 2.059 219 C HN 0.722 nan 8.230 nan 0.000 0.481 220 A N 0.682 123.315 122.820 -0.311 0.000 1.884 220 A HA -0.213 4.329 4.320 0.369 0.000 0.219 220 A C 2.128 179.798 177.584 0.144 0.000 1.197 220 A CA 1.956 54.059 52.037 0.110 0.000 0.637 220 A CB -0.854 18.145 19.000 -0.002 0.000 0.827 220 A HN 0.613 nan 8.150 nan 0.000 0.450 221 L N -1.272 120.019 121.223 0.113 0.000 2.017 221 L HA -0.196 4.366 4.340 0.369 0.000 0.208 221 L C 2.917 179.792 176.870 0.009 0.000 1.073 221 L CA 1.495 56.409 54.840 0.124 0.000 0.745 221 L CB -0.454 41.651 42.059 0.077 0.000 0.894 221 L HN 0.366 nan 8.230 nan 0.000 0.432 222 R N -0.126 120.364 120.500 -0.018 0.000 2.103 222 R HA -0.173 4.388 4.340 0.369 0.000 0.242 222 R C 2.305 178.572 176.300 -0.055 0.000 1.142 222 R CA 1.172 57.255 56.100 -0.027 0.000 0.960 222 R CB -0.287 29.996 30.300 -0.029 0.000 0.858 222 R HN 0.298 nan 8.270 nan 0.000 0.439 223 K N 0.785 121.115 120.400 -0.116 0.000 2.097 223 K HA -0.142 4.400 4.320 0.369 0.000 0.205 223 K C 1.988 178.393 176.600 -0.325 0.000 1.050 223 K CA 0.971 57.068 56.287 -0.317 0.000 0.938 223 K CB -0.130 31.931 32.500 -0.731 0.000 0.718 223 K HN 0.151 nan 8.250 nan 0.000 0.442 224 K N 0.802 121.059 120.400 -0.238 0.000 2.097 224 K HA -0.064 4.478 4.320 0.369 0.000 0.205 224 K C 2.048 178.660 176.600 0.020 0.000 1.050 224 K CA 1.063 57.312 56.287 -0.064 0.000 0.938 224 K CB -0.038 32.275 32.500 -0.312 0.000 0.718 224 K HN 0.058 nan 8.250 nan 0.000 0.442 225 A N 0.774 123.588 122.820 -0.010 0.000 1.978 225 A HA -0.180 4.362 4.320 0.369 0.000 0.220 225 A C 2.153 179.763 177.584 0.044 0.000 1.170 225 A CA 2.352 54.407 52.037 0.031 0.000 0.636 225 A CB -1.010 17.997 19.000 0.012 0.000 0.810 225 A HN 0.650 nan 8.150 nan 0.000 0.448 226 T N -3.162 111.410 114.554 0.030 0.000 2.770 226 T HA -0.046 4.526 4.350 0.369 0.000 0.258 226 T C 1.736 176.472 174.700 0.060 0.000 1.039 226 T CA 1.333 63.453 62.100 0.033 0.000 1.143 226 T CB -0.833 68.047 68.868 0.021 0.000 0.866 226 T HN 0.046 nan 8.240 nan 0.000 0.428 227 V N 0.640 120.620 119.914 0.110 0.000 2.237 227 V HA 0.005 4.347 4.120 0.369 0.000 0.245 227 V C 2.063 178.249 176.094 0.152 0.000 1.046 227 V CA 1.520 63.911 62.300 0.151 0.000 1.007 227 V CB -0.889 31.085 31.823 0.250 0.000 0.638 227 V HN 0.492 nan 8.190 nan 0.000 0.445 228 F N 1.249 121.209 119.950 0.016 0.000 2.726 228 F HA 0.235 4.983 4.527 0.369 0.000 0.296 228 F C 1.374 177.159 175.800 -0.025 0.000 1.250 228 F CA -0.172 57.819 58.000 -0.015 0.000 1.434 228 F CB -0.618 38.355 39.000 -0.045 0.000 1.043 228 F HN 0.070 nan 8.300 nan 0.000 0.508 229 R N 0.516 120.995 120.500 -0.034 0.000 3.989 229 R HA -0.327 4.235 4.340 0.369 0.000 0.335 229 R C 0.585 176.861 176.300 -0.039 0.000 1.223 229 R CA 1.243 57.301 56.100 -0.071 0.000 0.962 229 R CB -2.070 28.141 30.300 -0.149 0.000 1.393 229 R HN 0.787 nan 8.270 nan 0.000 0.554 236 P HA -0.191 nan 4.420 nan 0.000 0.216 236 P C 0.229 177.705 177.300 0.294 0.000 1.150 236 P CA 1.285 64.523 63.100 0.230 0.000 0.843 236 P CB 0.455 32.230 31.700 0.123 0.000 0.787 237 E N -0.554 119.783 120.200 0.229 0.000 2.463 237 E HA -0.133 4.438 4.350 0.369 0.000 0.201 237 E C 1.403 178.174 176.600 0.285 0.000 1.045 237 E CA 0.641 57.185 56.400 0.240 0.000 0.872 237 E CB -0.654 29.153 29.700 0.179 0.000 0.797 237 E HN 0.368 nan 8.360 nan 0.000 0.538 238 E N -0.435 119.869 120.200 0.172 0.000 2.476 238 E HA 0.030 4.601 4.350 0.369 0.000 0.191 238 E C -0.517 175.707 176.600 -0.627 0.000 1.064 238 E CA 0.220 56.492 56.400 -0.213 0.000 0.866 238 E CB 0.230 29.767 29.700 -0.273 0.000 0.952 238 E HN 0.302 nan 8.360 nan 0.000 0.492 239 Y N -0.493 119.787 120.300 -0.033 0.000 2.576 239 Y HA 0.551 5.322 4.550 0.369 0.000 0.346 239 Y C -0.060 175.931 175.900 0.153 0.000 1.018 239 Y CA -1.025 57.050 58.100 -0.041 0.000 1.050 239 Y CB 1.820 40.310 38.460 0.051 0.000 1.280 239 Y HN -0.174 nan 8.280 nan 0.000 0.474 240 A N 1.835 124.855 122.820 0.334 0.000 2.413 240 A HA 0.798 5.340 4.320 0.369 0.000 0.307 240 A C -1.760 176.021 177.584 0.329 0.000 1.087 240 A CA -0.795 51.472 52.037 0.382 0.000 0.750 240 A CB 1.049 20.277 19.000 0.380 0.000 1.296 240 A HN 0.730 nan 8.150 nan 0.000 0.423 241 L N 1.907 123.284 121.223 0.258 0.000 2.260 241 L HA 0.361 4.922 4.340 0.369 0.000 0.289 241 L C 0.521 177.363 176.870 -0.046 0.000 1.057 241 L CA -0.141 54.743 54.840 0.073 0.000 0.811 241 L CB 1.285 43.330 42.059 -0.024 0.000 1.184 241 L HN 0.845 nan 8.230 nan 0.000 0.429 242 Q N 2.527 122.158 119.800 -0.283 0.000 2.235 242 Q HA 0.358 4.920 4.340 0.369 0.000 0.250 242 Q C -0.933 174.772 176.000 -0.492 0.000 0.909 242 Q CA -0.771 54.545 55.803 -0.812 0.000 0.910 242 Q CB 1.889 30.095 28.738 -0.888 0.000 1.223 242 Q HN 0.402 nan 8.270 nan 0.000 0.432 243 V N 4.380 123.960 119.914 -0.558 0.000 2.508 243 V HA 0.025 4.366 4.120 0.369 0.000 0.281 243 V C 0.045 175.915 176.094 -0.374 0.000 1.041 243 V CA -0.508 61.485 62.300 -0.511 0.000 1.016 243 V CB 0.624 32.008 31.823 -0.732 0.000 0.984 243 V HN 0.769 nan 8.190 nan 0.000 0.478 244 N N 3.718 122.281 118.700 -0.228 0.000 2.412 244 N HA 0.223 5.184 4.740 0.369 0.000 0.258 244 N C 1.237 176.667 175.510 -0.134 0.000 1.236 244 N CA 1.282 54.255 53.050 -0.129 0.000 0.882 244 N CB 0.569 39.049 38.487 -0.013 0.000 1.066 244 N HN 1.095 nan 8.380 nan 0.000 0.465 245 G N 1.342 110.076 108.800 -0.109 0.000 2.179 245 G HA2 -0.317 3.864 3.960 0.369 0.000 0.257 245 G HA3 -0.317 3.864 3.960 0.369 0.000 0.257 245 G C -0.021 174.803 174.900 -0.127 0.000 1.010 245 G CA 0.225 45.270 45.100 -0.091 0.000 0.736 245 G HN 0.626 nan 8.290 nan 0.000 0.513 246 R N -1.477 118.924 120.500 -0.165 0.000 2.771 246 R HA 0.401 4.962 4.340 0.369 0.000 0.274 246 R C -0.916 175.329 176.300 -0.093 0.000 0.987 246 R CA -1.074 54.924 56.100 -0.170 0.000 0.908 246 R CB 0.903 31.074 30.300 -0.215 0.000 1.213 246 R HN 0.178 nan 8.270 nan 0.000 0.468 247 H N 1.468 120.456 119.070 -0.137 0.000 2.966 247 H HA 0.189 4.967 4.556 0.370 0.000 0.217 247 H C -0.539 174.731 175.328 -0.096 0.000 1.906 247 H CA 0.189 56.162 56.048 -0.125 0.000 1.351 247 H CB -0.321 29.548 29.762 0.179 0.000 1.722 247 H HN 0.407 nan 8.280 nan 0.000 0.562 248 E N 0.957 121.051 120.200 -0.176 0.000 2.308 248 E HA 0.358 4.929 4.350 0.369 0.000 0.275 248 E C -1.466 174.955 176.600 -0.299 0.000 0.890 248 E CA -0.728 55.618 56.400 -0.090 0.000 0.754 248 E CB 1.606 31.218 29.700 -0.145 0.000 1.207 248 E HN 0.150 nan 8.360 nan 0.000 0.426 249 Y N 1.897 122.184 120.300 -0.022 0.000 2.545 249 Y HA 0.476 5.247 4.550 0.369 0.000 0.348 249 Y C -0.875 175.016 175.900 -0.015 0.000 1.002 249 Y CA -0.919 57.208 58.100 0.045 0.000 1.039 249 Y CB 1.540 40.157 38.460 0.263 0.000 1.271 249 Y HN 0.397 nan 8.280 nan 0.000 0.467 250 L N 4.105 125.347 121.223 0.031 0.000 2.305 250 L HA 0.526 5.087 4.340 0.369 0.000 0.284 250 L C -1.010 175.887 176.870 0.045 0.000 1.013 250 L CA -1.048 53.549 54.840 -0.405 0.000 0.819 250 L CB 0.167 41.762 42.059 -0.775 0.000 1.227 250 L HN 0.634 nan 8.230 nan 0.000 0.417 251 Y N 0.856 121.213 120.300 0.095 0.000 2.750 251 Y HA 0.879 5.651 4.550 0.369 0.000 0.335 251 Y C 0.196 176.385 175.900 0.482 0.000 1.252 251 Y CA -1.108 57.148 58.100 0.260 0.000 1.064 251 Y CB 1.034 39.632 38.460 0.230 0.000 1.321 251 Y HN 0.853 nan 8.280 nan 0.000 0.451 252 G N 1.087 110.205 108.800 0.531 0.000 2.661 252 G HA2 -0.125 4.056 3.960 0.369 0.000 0.685 252 G HA3 -0.125 4.056 3.960 0.369 0.000 0.685 252 G C -1.743 173.293 174.900 0.228 0.000 1.298 252 G CA -0.827 44.531 45.100 0.431 0.000 0.855 252 G HN 0.890 nan 8.290 nan 0.000 0.560 253 N N 0.963 119.549 118.700 -0.191 0.000 2.868 253 N HA 0.475 5.436 4.740 0.369 0.000 0.252 253 N C -1.122 173.978 175.510 -0.684 0.000 1.130 253 N CA 0.416 53.279 53.050 -0.312 0.000 1.026 253 N CB 0.060 38.364 38.487 -0.305 0.000 1.335 253 N HN 0.444 nan 8.380 nan 0.000 0.516 254 Y N 0.265 120.560 120.300 -0.009 0.000 2.470 254 Y HA 0.367 5.138 4.550 0.370 0.000 0.341 254 Y C -2.209 173.594 175.900 -0.162 0.000 1.021 254 Y CA -2.211 55.777 58.100 -0.186 0.000 1.025 254 Y CB 2.001 40.202 38.460 -0.432 0.000 1.266 254 Y HN 0.231 nan 8.280 nan 0.000 0.448 255 P HA 0.111 nan 4.420 nan 0.000 0.269 255 P C 0.754 178.076 177.300 0.037 0.000 1.215 255 P CA -0.077 62.930 63.100 -0.155 0.000 0.780 255 P CB 1.220 32.718 31.700 -0.336 0.000 0.898 256 L N 1.813 123.137 121.223 0.168 0.000 2.079 256 L HA -0.199 4.362 4.340 0.369 0.000 0.210 256 L C 2.526 179.584 176.870 0.313 0.000 1.081 256 L CA 2.145 57.187 54.840 0.336 0.000 0.752 256 L CB -0.948 41.217 42.059 0.176 0.000 0.896 256 L HN 0.526 nan 8.230 nan 0.000 0.433 257 C N -2.719 116.680 119.300 0.164 0.000 2.491 257 C HA -0.059 4.623 4.460 0.369 0.000 0.277 257 C C 2.235 177.345 174.990 0.200 0.000 1.455 257 C CA -0.227 58.882 59.018 0.151 0.000 1.758 257 C CB -1.790 26.011 27.740 0.101 0.000 1.745 257 C HN 0.463 nan 8.230 nan 0.000 0.558 258 H N -0.917 118.135 119.070 -0.031 0.000 2.495 258 H HA 0.099 4.877 4.556 0.369 0.000 0.287 258 H C 0.034 175.198 175.328 -0.273 0.000 1.033 258 H CA 0.395 56.339 56.048 -0.173 0.000 1.307 258 H CB -0.072 29.542 29.762 -0.247 0.000 1.401 258 H HN 0.457 nan 8.280 nan 0.000 0.555 259 F N 1.750 121.760 119.950 0.100 0.000 2.472 259 F HA -0.004 4.745 4.527 0.369 0.000 0.364 259 F C 1.562 177.396 175.800 0.057 0.000 1.090 259 F CA -0.025 57.998 58.000 0.037 0.000 1.188 259 F CB 0.818 39.851 39.000 0.056 0.000 1.105 259 F HN 0.023 nan 8.300 nan 0.000 0.536 260 Q N 1.980 121.898 119.800 0.197 0.000 2.217 260 Q HA -0.298 4.264 4.340 0.369 0.000 0.209 260 Q C 1.600 177.724 176.000 0.207 0.000 0.988 260 Q CA 2.042 57.940 55.803 0.159 0.000 0.878 260 Q CB -0.308 28.505 28.738 0.125 0.000 0.909 260 Q HN 0.846 nan 8.270 nan 0.000 0.424 261 Y N 0.298 120.671 120.300 0.122 0.000 2.243 261 Y HA -0.134 4.638 4.550 0.369 0.000 0.293 261 Y C 1.798 177.753 175.900 0.092 0.000 1.124 261 Y CA 0.796 58.947 58.100 0.085 0.000 1.159 261 Y CB 0.056 38.543 38.460 0.044 0.000 1.008 261 Y HN 0.018 nan 8.280 nan 0.000 0.527 262 I N -0.664 119.940 120.570 0.056 0.000 2.394 262 I HA -0.299 4.093 4.170 0.369 0.000 0.251 262 I C 2.701 178.788 176.117 -0.049 0.000 1.136 262 I CA 0.832 62.101 61.300 -0.052 0.000 1.425 262 I CB -1.799 36.267 38.000 0.110 0.000 1.079 262 I HN 0.404 nan 8.210 nan 0.000 0.425 263 C N 0.044 119.363 119.300 0.032 0.000 2.418 263 C HA -0.208 4.474 4.460 0.369 0.000 0.280 263 C C 3.324 178.324 174.990 0.017 0.000 1.223 263 C CA 1.797 60.831 59.018 0.028 0.000 1.736 263 C CB -0.875 26.919 27.740 0.090 0.000 2.056 263 C HN 0.545 nan 8.230 nan 0.000 0.459 264 S N -0.897 114.831 115.700 0.048 0.000 2.393 264 S HA -0.295 4.396 4.470 0.369 0.000 0.234 264 S C 1.865 176.461 174.600 -0.006 0.000 1.064 264 S CA 2.275 60.510 58.200 0.059 0.000 1.088 264 S CB -0.677 62.562 63.200 0.065 0.000 0.939 264 S HN 0.759 nan 8.310 nan 0.000 0.448 265 C N 0.641 119.851 119.300 -0.149 0.000 2.413 265 C HA -0.051 4.630 4.460 0.369 0.000 0.276 265 C C 2.500 177.439 174.990 -0.086 0.000 1.248 265 C CA 0.967 59.881 59.018 -0.173 0.000 1.742 265 C CB -1.576 25.962 27.740 -0.337 0.000 2.017 265 C HN 0.595 nan 8.230 nan 0.000 0.481 266 L N -0.985 120.179 121.223 -0.100 0.000 2.156 266 L HA -0.109 4.452 4.340 0.369 0.000 0.208 266 L C 2.713 179.507 176.870 -0.126 0.000 1.095 266 L CA 1.204 55.967 54.840 -0.128 0.000 0.770 266 L CB -0.706 41.233 42.059 -0.199 0.000 0.914 266 L HN 0.464 nan 8.230 nan 0.000 0.439 267 H N -0.961 118.111 119.070 0.002 0.000 2.384 267 H HA -0.015 4.763 4.556 0.369 0.000 0.300 267 H C 2.565 177.902 175.328 0.016 0.000 1.057 267 H CA 1.635 57.693 56.048 0.017 0.000 1.370 267 H CB 0.031 29.810 29.762 0.027 0.000 1.417 267 H HN 0.337 nan 8.280 nan 0.000 0.527 268 S N -0.904 114.875 115.700 0.131 0.000 2.461 268 S HA 0.091 4.782 4.470 0.369 0.000 0.228 268 S C 1.827 176.451 174.600 0.040 0.000 1.005 268 S CA 1.045 59.291 58.200 0.077 0.000 0.942 268 S CB 0.295 63.531 63.200 0.061 0.000 0.776 268 S HN 0.602 nan 8.310 nan 0.000 0.514 269 G N 0.150 108.964 108.800 0.023 0.000 2.195 269 G HA2 -0.172 4.010 3.960 0.369 0.000 0.224 269 G HA3 -0.172 4.010 3.960 0.369 0.000 0.224 269 G C -0.173 174.728 174.900 0.002 0.000 0.990 269 G CA 0.025 45.130 45.100 0.008 0.000 0.639 269 G HN 0.469 nan 8.290 nan 0.000 0.514 270 L N 1.667 122.889 121.223 -0.002 0.000 2.436 270 L HA 0.542 5.103 4.340 0.369 0.000 0.265 270 L C 1.060 177.939 176.870 0.014 0.000 1.168 270 L CA 0.455 55.301 54.840 0.009 0.000 0.815 270 L CB 0.996 43.062 42.059 0.012 0.000 1.109 270 L HN 0.071 nan 8.230 nan 0.000 0.462 271 T N 4.161 118.765 114.554 0.083 0.000 2.723 271 T HA 0.255 4.826 4.350 0.369 0.000 0.297 271 T C -2.344 172.493 174.700 0.228 0.000 0.925 271 T CA -0.997 61.175 62.100 0.121 0.000 1.030 271 T CB 0.544 69.504 68.868 0.153 0.000 0.905 271 T HN 0.305 nan 8.240 nan 0.000 0.502 272 P HA -0.007 nan 4.420 nan 0.000 0.263 272 P C -0.357 177.103 177.300 0.267 0.000 1.175 272 P CA 0.278 63.461 63.100 0.138 0.000 0.761 272 P CB 0.270 31.976 31.700 0.010 0.000 0.794 273 H N 3.074 122.282 119.070 0.229 0.000 2.638 273 H HA 0.412 5.190 4.556 0.370 0.000 0.317 273 H C -0.271 175.087 175.328 0.050 0.000 1.006 273 H CA -0.540 55.574 56.048 0.110 0.000 1.222 273 H CB 0.949 30.757 29.762 0.076 0.000 1.419 273 H HN 0.267 nan 8.280 nan 0.000 0.489 274 L N 2.223 123.473 121.223 0.044 0.000 2.354 274 L HA 0.460 5.021 4.340 0.369 0.000 0.264 274 L C -0.114 176.710 176.870 -0.076 0.000 1.008 274 L CA -0.759 54.062 54.840 -0.031 0.000 0.819 274 L CB 2.557 44.599 42.059 -0.028 0.000 1.339 274 L HN 0.473 nan 8.230 nan 0.000 0.420 275 T N 1.971 116.452 114.554 -0.121 0.000 2.824 275 T HA 0.462 5.033 4.350 0.369 0.000 0.282 275 T C -0.202 174.408 174.700 -0.150 0.000 0.993 275 T CA -0.634 61.388 62.100 -0.130 0.000 0.967 275 T CB 1.676 70.491 68.868 -0.088 0.000 0.960 275 T HN 0.305 nan 8.240 nan 0.000 0.441 276 M N 3.534 122.961 119.600 -0.288 0.000 2.194 276 M HA 0.249 4.950 4.480 0.369 0.000 0.347 276 M C -0.632 175.694 176.300 0.042 0.000 1.439 276 M CA -0.140 54.972 55.300 -0.313 0.000 1.131 276 M CB 0.282 32.237 32.600 -1.074 0.000 1.733 276 M HN 0.322 nan 8.290 nan 0.000 0.467 277 V N 3.957 124.018 119.914 0.244 0.000 2.384 277 V HA 0.213 4.554 4.120 0.369 0.000 0.287 277 V C -0.049 176.203 176.094 0.263 0.000 1.020 277 V CA -0.835 61.632 62.300 0.278 0.000 0.850 277 V CB 1.339 33.314 31.823 0.253 0.000 0.987 277 V HN 0.759 nan 8.190 nan 0.000 0.436 278 H N 3.164 122.234 119.070 -0.000 0.000 2.679 278 H HA 0.173 4.951 4.556 0.369 0.000 0.369 278 H C 1.566 176.532 175.328 -0.603 0.000 1.178 278 H CA 0.654 56.369 56.048 -0.556 0.000 1.419 278 H CB 1.538 31.052 29.762 -0.414 0.000 1.458 278 H HN 0.728 nan 8.280 nan 0.000 0.605 279 S N 1.121 115.792 115.700 -1.715 0.000 2.399 279 S HA -0.225 4.466 4.470 0.369 0.000 0.231 279 S C 2.078 176.159 174.600 -0.864 0.000 1.022 279 S CA 1.140 58.362 58.200 -1.630 0.000 0.983 279 S CB -0.675 61.205 63.200 -2.200 0.000 0.803 279 S HN 0.664 nan 8.310 nan 0.000 0.480 280 S N 1.327 116.682 115.700 -0.574 0.000 2.453 280 S HA -0.007 4.684 4.470 0.369 0.000 0.231 280 S C 1.893 176.407 174.600 -0.143 0.000 1.005 280 S CA 0.905 58.985 58.200 -0.200 0.000 0.949 280 S CB -0.573 62.638 63.200 0.018 0.000 0.774 280 S HN 0.596 nan 8.310 nan 0.000 0.510 281 S N 1.681 117.301 115.700 -0.134 0.000 2.371 281 S HA 0.112 4.803 4.470 0.369 0.000 0.221 281 S C 1.782 176.313 174.600 -0.115 0.000 1.036 281 S CA 0.595 58.747 58.200 -0.080 0.000 0.965 281 S CB -0.619 62.574 63.200 -0.010 0.000 0.845 281 S HN 0.548 nan 8.310 nan 0.000 0.475 282 I N 1.682 122.158 120.570 -0.156 0.000 2.208 282 I HA -0.178 4.214 4.170 0.369 0.000 0.245 282 I C 2.264 178.234 176.117 -0.246 0.000 1.097 282 I CA 1.206 62.429 61.300 -0.127 0.000 1.363 282 I CB -0.341 37.636 38.000 -0.038 0.000 1.051 282 I HN 0.314 nan 8.210 nan 0.000 0.413 283 L N 0.210 121.291 121.223 -0.237 0.000 2.141 283 L HA -0.157 4.404 4.340 0.369 0.000 0.209 283 L C 2.801 179.497 176.870 -0.289 0.000 1.094 283 L CA 1.018 55.705 54.840 -0.256 0.000 0.763 283 L CB -0.623 41.330 42.059 -0.177 0.000 0.908 283 L HN 0.257 nan 8.230 nan 0.000 0.437 284 A N 0.017 122.704 122.820 -0.222 0.000 1.933 284 A HA -0.225 4.317 4.320 0.369 0.000 0.218 284 A C 2.278 179.719 177.584 -0.239 0.000 1.175 284 A CA 1.612 53.537 52.037 -0.188 0.000 0.628 284 A CB -0.389 18.540 19.000 -0.118 0.000 0.814 284 A HN 0.341 nan 8.150 nan 0.000 0.444 285 M N -1.246 118.185 119.600 -0.281 0.000 2.086 285 M HA -0.139 4.563 4.480 0.369 0.000 0.261 285 M C 2.378 178.268 176.300 -0.683 0.000 1.067 285 M CA 1.951 57.051 55.300 -0.333 0.000 1.116 285 M CB -0.400 32.092 32.600 -0.180 0.000 1.348 285 M HN 0.478 nan 8.290 nan 0.000 0.407 286 R N 0.857 120.699 120.500 -1.097 0.000 2.096 286 R HA -0.205 4.356 4.340 0.369 0.000 0.240 286 R C 1.504 177.379 176.300 -0.708 0.000 1.139 286 R CA 2.343 57.568 56.100 -1.459 0.000 0.952 286 R CB -0.328 29.317 30.300 -1.093 0.000 0.854 286 R HN 0.313 nan 8.270 nan 0.000 0.436 287 D N 0.493 120.623 120.400 -0.451 0.000 2.092 287 D HA -0.212 4.649 4.640 0.369 0.000 0.193 287 D C 1.752 177.928 176.300 -0.208 0.000 0.994 287 D CA 1.886 55.726 54.000 -0.267 0.000 0.828 287 D CB -0.459 40.223 40.800 -0.196 0.000 0.963 287 D HN 0.614 nan 8.370 nan 0.000 0.450 288 E N 0.567 120.647 120.200 -0.200 0.000 2.331 288 E HA -0.211 4.360 4.350 0.369 0.000 0.199 288 E C 1.168 177.726 176.600 -0.071 0.000 1.008 288 E CA 0.872 57.208 56.400 -0.107 0.000 0.843 288 E CB -0.341 29.319 29.700 -0.066 0.000 0.761 288 E HN 0.373 nan 8.360 nan 0.000 0.507 289 Q N 1.317 121.003 119.800 -0.189 0.000 2.247 289 Q HA 0.089 4.650 4.340 0.369 0.000 0.204 289 Q C 0.017 176.007 176.000 -0.016 0.000 0.872 289 Q CA 0.049 55.752 55.803 -0.167 0.000 0.951 289 Q CB 0.958 29.447 28.738 -0.414 0.000 1.099 289 Q HN 0.257 nan 8.270 nan 0.000 0.501 290 S N 0.007 115.679 115.700 -0.046 0.000 2.562 290 S HA 0.100 4.791 4.470 0.369 0.000 0.281 290 S C 0.219 174.821 174.600 0.003 0.000 1.333 290 S CA -0.601 57.579 58.200 -0.034 0.000 1.052 290 S CB 0.946 64.111 63.200 -0.058 0.000 0.884 290 S HN 0.222 nan 8.310 nan 0.000 0.506 317 W N 0.785 121.990 121.300 -0.159 0.000 2.387 317 W HA -0.052 4.829 4.660 0.369 0.000 0.272 317 W C 1.353 177.796 176.519 -0.127 0.000 1.224 317 W CA 1.619 58.840 57.345 -0.206 0.000 1.210 317 W CB -1.432 27.915 29.460 -0.187 0.000 1.125 317 W HN 0.562 nan 8.180 nan 0.000 0.572 318 S N 1.806 117.233 115.700 -0.456 0.000 2.356 318 S HA -0.114 4.578 4.470 0.369 0.000 0.223 318 S C 1.227 175.574 174.600 -0.421 0.000 1.032 318 S CA 1.243 59.059 58.200 -0.641 0.000 1.005 318 S CB -0.740 62.287 63.200 -0.289 0.000 0.867 318 S HN 0.214 nan 8.310 nan 0.000 0.449 319 L N 2.192 123.283 121.223 -0.220 0.000 2.407 319 L HA 0.246 4.808 4.340 0.369 0.000 0.282 319 L C 1.082 177.888 176.870 -0.106 0.000 1.110 319 L CA 0.091 54.855 54.840 -0.126 0.000 0.863 319 L CB 0.094 42.125 42.059 -0.046 0.000 1.207 319 L HN 0.133 nan 8.230 nan 0.000 0.454 320 E N 1.451 121.585 120.200 -0.109 0.000 2.460 320 E HA -0.011 4.561 4.350 0.369 0.000 0.200 320 E C 0.421 177.013 176.600 -0.014 0.000 1.011 320 E CA -0.187 56.173 56.400 -0.066 0.000 0.912 320 E CB 0.517 30.160 29.700 -0.094 0.000 0.953 320 E HN 0.685 nan 8.360 nan 0.000 0.494 321 Q N 1.679 121.473 119.800 -0.009 0.000 2.392 321 Q HA 0.148 4.709 4.340 0.369 0.000 0.262 321 Q C -2.571 173.462 176.000 0.057 0.000 1.003 321 Q CA -1.839 53.972 55.803 0.013 0.000 0.888 321 Q CB -0.185 28.553 28.738 0.001 0.000 1.260 321 Q HN -0.209 nan 8.270 nan 0.000 0.435 322 P HA 0.021 nan 4.420 nan 0.000 0.266 322 P C -0.634 176.776 177.300 0.182 0.000 1.195 322 P CA -0.165 63.011 63.100 0.127 0.000 0.768 322 P CB 0.131 31.888 31.700 0.095 0.000 0.838 323 F N 3.109 123.128 119.950 0.115 0.000 2.545 323 F HA 0.320 5.069 4.527 0.369 0.000 0.348 323 F C 0.325 176.282 175.800 0.261 0.000 1.163 323 F CA 1.122 59.214 58.000 0.153 0.000 1.331 323 F CB 0.451 39.529 39.000 0.130 0.000 1.138 323 F HN 0.459 nan 8.300 nan 0.000 0.602 324 S N 4.720 120.022 115.700 -0.664 0.000 2.587 324 S HA 0.731 5.423 4.470 0.369 0.000 0.269 324 S C -1.031 173.232 174.600 -0.562 0.000 1.154 324 S CA -0.717 57.254 58.200 -0.382 0.000 0.824 324 S CB 1.402 64.491 63.200 -0.185 0.000 1.118 324 S HN 1.021 nan 8.310 nan 0.000 0.462 325 I N -2.273 118.192 120.570 -0.174 0.000 2.827 325 I HA 0.704 5.096 4.170 0.369 0.000 0.298 325 I C -0.886 175.243 176.117 0.019 0.000 1.235 325 I CA -0.802 60.479 61.300 -0.031 0.000 1.021 325 I CB 2.129 40.239 38.000 0.183 0.000 1.259 325 I HN 0.775 nan 8.210 nan 0.000 0.427 326 E N 3.480 123.723 120.200 0.072 0.000 2.200 326 E HA 0.365 4.937 4.350 0.369 0.000 0.283 326 E C -1.413 175.220 176.600 0.055 0.000 1.015 326 E CA -0.925 55.502 56.400 0.046 0.000 0.819 326 E CB 1.670 31.382 29.700 0.019 0.000 1.081 326 E HN 0.626 nan 8.360 nan 0.000 0.397 327 L N 6.601 127.830 121.223 0.009 0.000 2.261 327 L HA 0.262 4.824 4.340 0.369 0.000 0.289 327 L C -0.063 176.864 176.870 0.096 0.000 1.059 327 L CA 0.437 55.262 54.840 -0.024 0.000 0.816 327 L CB 0.468 42.424 42.059 -0.171 0.000 1.191 327 L HN 0.683 nan 8.230 nan 0.000 0.431 328 I N 3.237 123.869 120.570 0.104 0.000 2.490 328 I HA 0.176 4.567 4.170 0.369 0.000 0.234 328 I C 0.669 176.904 176.117 0.197 0.000 1.066 328 I CA 0.508 61.881 61.300 0.122 0.000 1.405 328 I CB -0.139 37.904 38.000 0.071 0.000 1.191 328 I HN 0.718 nan 8.210 nan 0.000 0.433 329 E N 0.189 120.502 120.200 0.189 0.000 2.449 329 E HA 0.598 5.169 4.350 0.369 0.000 0.278 329 E C -1.056 175.644 176.600 0.168 0.000 1.059 329 E CA -0.911 55.581 56.400 0.152 0.000 0.854 329 E CB 1.709 31.407 29.700 -0.005 0.000 1.465 329 E HN 0.150 nan 8.360 nan 0.000 0.462 330 G N -0.263 108.583 108.800 0.078 0.000 3.086 330 G HA2 0.698 4.880 3.960 0.369 0.000 0.282 330 G HA3 0.698 4.880 3.960 0.369 0.000 0.282 330 G C -1.309 173.584 174.900 -0.011 0.000 1.343 330 G CA -1.070 44.070 45.100 0.067 0.000 0.895 330 G HN 0.592 nan 8.290 nan 0.000 0.557 331 R N 0.092 120.590 120.500 -0.004 0.000 3.179 331 R HA 0.367 4.928 4.340 0.369 0.000 0.231 331 R C -1.146 175.153 176.300 -0.001 0.000 1.796 331 R CA -0.897 55.195 56.100 -0.013 0.000 1.233 331 R CB 0.675 30.969 30.300 -0.011 0.000 1.545 331 R HN 0.498 nan 8.270 nan 0.000 0.552 332 K N -0.071 120.330 120.400 0.001 0.000 2.246 332 K HA 0.704 5.245 4.320 0.369 0.000 0.239 332 K C -0.761 175.845 176.600 0.010 0.000 1.089 332 K CA -1.288 55.007 56.287 0.013 0.000 0.892 332 K CB 0.957 33.477 32.500 0.034 0.000 1.334 332 K HN 0.053 nan 8.250 nan 0.000 0.507 333 V N 0.579 120.505 119.914 0.020 0.000 2.569 333 V HA 0.576 4.918 4.120 0.369 0.000 0.301 333 V C -1.245 174.867 176.094 0.030 0.000 1.044 333 V CA -0.311 62.000 62.300 0.019 0.000 0.874 333 V CB 1.133 32.965 31.823 0.016 0.000 1.002 333 V HN 0.882 nan 8.190 nan 0.000 0.424 334 N N 2.518 121.234 118.700 0.027 0.000 3.405 334 N HA 0.766 5.727 4.740 0.369 0.000 0.292 334 N C -0.961 174.567 175.510 0.031 0.000 1.456 334 N CA 0.199 53.271 53.050 0.036 0.000 0.861 334 N CB 1.420 39.939 38.487 0.053 0.000 1.643 334 N HN 0.796 nan 8.380 nan 0.000 0.474 340 K N 1.185 121.625 120.400 0.066 0.000 2.318 340 K HA 0.835 5.377 4.320 0.369 0.000 0.249 340 K C -1.437 175.226 176.600 0.105 0.000 0.942 340 K CA -0.387 55.943 56.287 0.072 0.000 0.808 340 K CB 2.023 34.566 32.500 0.072 0.000 1.189 340 K HN 0.498 nan 8.250 nan 0.000 0.428 341 L N 1.677 122.965 121.223 0.109 0.000 2.343 341 L HA 0.648 5.210 4.340 0.369 0.000 0.275 341 L C -0.647 176.320 176.870 0.161 0.000 1.056 341 L CA -0.993 53.933 54.840 0.143 0.000 0.804 341 L CB 1.429 43.598 42.059 0.184 0.000 1.203 341 L HN 0.193 nan 8.230 nan 0.000 0.440 342 V N 2.609 122.509 119.914 -0.023 0.000 2.841 342 V HA 0.440 4.782 4.120 0.369 0.000 0.310 342 V C -0.519 175.264 176.094 -0.519 0.000 1.090 342 V CA -0.693 61.505 62.300 -0.170 0.000 0.930 342 V CB 2.666 34.421 31.823 -0.113 0.000 1.014 342 V HN 0.380 nan 8.190 nan 0.000 0.425 343 V N 3.691 123.325 119.914 -0.467 0.000 2.435 343 V HA 0.469 4.811 4.120 0.369 0.000 0.290 343 V C -0.141 175.815 176.094 -0.230 0.000 1.030 343 V CA -0.432 61.590 62.300 -0.465 0.000 0.881 343 V CB 1.547 32.995 31.823 -0.625 0.000 0.983 343 V HN 0.925 nan 8.190 nan 0.000 0.445 344 Q N 3.050 122.820 119.800 -0.051 0.000 2.293 344 Q HA 0.754 5.315 4.340 0.369 0.000 0.261 344 Q C -0.775 175.370 176.000 0.241 0.000 0.960 344 Q CA -0.582 55.320 55.803 0.165 0.000 0.882 344 Q CB 1.829 30.776 28.738 0.349 0.000 1.275 344 Q HN 0.904 nan 8.270 nan 0.000 0.445 345 A N 2.562 125.525 122.820 0.237 0.000 2.356 345 A HA 0.870 5.412 4.320 0.369 0.000 0.310 345 A C -0.690 177.053 177.584 0.265 0.000 1.075 345 A CA -0.237 51.945 52.037 0.241 0.000 0.746 345 A CB 1.773 20.993 19.000 0.367 0.000 1.221 345 A HN 0.752 nan 8.150 nan 0.000 0.443 346 G N 0.809 109.700 108.800 0.151 0.000 2.638 346 G HA2 0.567 4.749 3.960 0.369 0.000 0.302 346 G HA3 0.567 4.749 3.960 0.369 0.000 0.302 346 G C -1.066 173.724 174.900 -0.184 0.000 1.365 346 G CA -0.642 44.473 45.100 0.026 0.000 0.987 346 G HN 0.682 nan 8.290 nan 0.000 0.495 347 L N 1.181 122.155 121.223 -0.415 0.000 2.290 347 L HA 0.521 5.082 4.340 0.369 0.000 0.284 347 L C -0.673 175.908 176.870 -0.481 0.000 1.078 347 L CA -0.405 54.173 54.840 -0.437 0.000 0.815 347 L CB 0.832 42.563 42.059 -0.547 0.000 1.162 347 L HN 0.352 nan 8.230 nan 0.000 0.435 348 F N 0.533 120.400 119.950 -0.138 0.000 2.561 348 F HA 0.364 5.113 4.527 0.370 0.000 0.321 348 F C 0.005 175.762 175.800 -0.072 0.000 1.065 348 F CA -0.696 57.248 58.000 -0.092 0.000 0.934 348 F CB 1.596 40.547 39.000 -0.082 0.000 1.215 348 F HN 0.389 nan 8.300 nan 0.000 0.471 349 H N 0.975 120.037 119.070 -0.014 0.000 2.854 349 H HA 0.522 5.300 4.556 0.369 0.000 0.275 349 H C 0.222 175.332 175.328 -0.365 0.000 1.198 349 H CA 0.303 56.239 56.048 -0.187 0.000 1.489 349 H CB 0.198 29.849 29.762 -0.184 0.000 1.519 349 H HN 0.832 nan 8.280 nan 0.000 0.503 350 G N 3.617 112.006 108.800 -0.685 0.000 2.509 350 G HA2 -0.398 3.783 3.960 0.369 0.000 0.259 350 G HA3 -0.398 3.783 3.960 0.369 0.000 0.259 350 G C 0.772 175.306 174.900 -0.609 0.000 1.169 350 G CA 0.257 44.625 45.100 -1.219 0.000 0.953 350 G HN 0.552 nan 8.290 nan 0.000 0.563 351 N N 1.559 119.980 118.700 -0.464 0.000 2.270 351 N HA 0.056 5.018 4.740 0.369 0.000 0.181 351 N C 0.720 176.279 175.510 0.081 0.000 1.016 351 N CA 1.190 54.156 53.050 -0.140 0.000 0.870 351 N CB -0.162 38.232 38.487 -0.156 0.000 0.979 351 N HN 0.531 nan 8.380 nan 0.000 0.431 352 E N 0.940 121.163 120.200 0.038 0.000 2.316 352 E HA 0.151 4.722 4.350 0.369 0.000 0.275 352 E C 0.343 177.011 176.600 0.113 0.000 1.029 352 E CA 0.001 56.452 56.400 0.086 0.000 0.871 352 E CB 0.537 30.248 29.700 0.019 0.000 1.022 352 E HN 0.148 nan 8.360 nan 0.000 0.418 353 M N 3.351 122.916 119.600 -0.057 0.000 2.243 353 M HA 0.072 4.774 4.480 0.369 0.000 0.341 353 M C 0.709 176.880 176.300 -0.216 0.000 1.130 353 M CA 0.139 55.196 55.300 -0.406 0.000 1.162 353 M CB 0.435 32.804 32.600 -0.385 0.000 1.497 353 M HN 0.408 nan 8.290 nan 0.000 0.456 354 L N 1.996 123.070 121.223 -0.249 0.000 2.607 354 L HA 0.200 4.762 4.340 0.369 0.000 0.228 354 L C 0.108 176.916 176.870 -0.104 0.000 1.123 354 L CA -0.310 54.452 54.840 -0.131 0.000 0.890 354 L CB -0.297 41.695 42.059 -0.111 0.000 1.103 354 L HN 0.987 nan 8.230 nan 0.000 0.468 355 C N -3.754 115.471 119.300 -0.124 0.000 3.076 355 C HA 0.193 4.874 4.460 0.369 0.000 0.324 355 C C -0.900 174.054 174.990 -0.059 0.000 1.360 355 C CA -1.843 57.143 59.018 -0.052 0.000 1.210 355 C CB 0.740 28.490 27.740 0.016 0.000 1.407 355 C HN 0.262 nan 8.230 nan 0.000 0.433 356 K N 0.617 121.015 120.400 -0.004 0.000 2.219 356 K HA 0.487 5.029 4.320 0.369 0.000 0.258 356 K C 0.075 176.698 176.600 0.038 0.000 1.008 356 K CA 0.686 56.974 56.287 0.002 0.000 0.928 356 K CB 0.136 32.645 32.500 0.014 0.000 0.983 356 K HN 1.011 nan 8.250 nan 0.000 0.484 357 T N -1.347 113.229 114.554 0.036 0.000 2.997 357 T HA 0.246 4.818 4.350 0.369 0.000 0.311 357 T C 0.485 175.240 174.700 0.090 0.000 1.079 357 T CA -1.002 61.149 62.100 0.087 0.000 0.982 357 T CB -0.456 68.468 68.868 0.093 0.000 1.032 357 T HN 0.466 nan 8.240 nan 0.000 0.581 358 V N 1.790 121.746 119.914 0.069 0.000 2.655 358 V HA 0.530 4.871 4.120 0.369 0.000 0.300 358 V C 0.258 176.343 176.094 -0.014 0.000 1.044 358 V CA -0.497 61.782 62.300 -0.035 0.000 1.095 358 V CB 0.475 32.174 31.823 -0.206 0.000 0.952 358 V HN 0.795 nan 8.190 nan 0.000 0.485 359 S N 2.634 118.326 115.700 -0.012 0.000 2.766 359 S HA 0.615 5.307 4.470 0.369 0.000 0.307 359 S C 0.153 174.715 174.600 -0.063 0.000 1.121 359 S CA -0.576 57.623 58.200 -0.003 0.000 0.980 359 S CB 1.743 64.979 63.200 0.060 0.000 1.159 359 S HN 0.962 nan 8.310 nan 0.000 0.546 360 S N 1.776 117.415 115.700 -0.100 0.000 2.617 360 S HA 0.379 5.071 4.470 0.369 0.000 0.269 360 S C 0.037 174.631 174.600 -0.010 0.000 1.292 360 S CA -0.722 57.391 58.200 -0.145 0.000 1.010 360 S CB 0.685 63.684 63.200 -0.334 0.000 0.944 360 S HN 0.753 nan 8.310 nan 0.000 0.536 361 S N 1.677 117.409 115.700 0.054 0.000 2.531 361 S HA 0.213 4.905 4.470 0.369 0.000 0.279 361 S C -0.215 174.511 174.600 0.210 0.000 1.305 361 S CA -0.742 57.530 58.200 0.120 0.000 1.058 361 S CB 0.079 63.357 63.200 0.131 0.000 0.899 361 S HN 0.656 nan 8.310 nan 0.000 0.493 362 E N 1.367 121.659 120.200 0.153 0.000 2.414 362 E HA 0.294 4.866 4.350 0.369 0.000 0.263 362 E C -0.640 176.045 176.600 0.142 0.000 1.000 362 E CA -0.136 56.362 56.400 0.164 0.000 0.914 362 E CB 0.612 30.377 29.700 0.107 0.000 0.948 362 E HN 0.488 nan 8.360 nan 0.000 0.444 363 V N 3.271 123.262 119.914 0.128 0.000 2.823 363 V HA 0.158 4.500 4.120 0.369 0.000 0.312 363 V C 0.038 176.120 176.094 -0.021 0.000 1.072 363 V CA -1.336 60.956 62.300 -0.013 0.000 0.937 363 V CB 1.960 33.652 31.823 -0.217 0.000 1.013 363 V HN 0.643 nan 8.190 nan 0.000 0.430 364 N N 1.196 119.871 118.700 -0.042 0.000 2.292 364 N HA -0.034 4.928 4.740 0.369 0.000 0.242 364 N C 0.993 176.478 175.510 -0.041 0.000 1.243 364 N CA 0.022 53.054 53.050 -0.031 0.000 0.851 364 N CB 1.077 39.541 38.487 -0.039 0.000 1.093 364 N HN 0.491 nan 8.380 nan 0.000 0.450 365 V N 0.846 120.752 119.914 -0.013 0.000 3.440 365 V HA -0.146 4.196 4.120 0.369 0.000 0.274 365 V C 1.241 177.315 176.094 -0.033 0.000 1.207 365 V CA 0.418 62.713 62.300 -0.008 0.000 1.183 365 V CB -0.844 30.989 31.823 0.017 0.000 0.837 365 V HN 0.657 nan 8.190 nan 0.000 0.532 366 C N -0.074 119.191 119.300 -0.058 0.000 2.657 366 C HA 0.475 5.157 4.460 0.369 0.000 0.404 366 C C 1.341 176.270 174.990 -0.101 0.000 1.291 366 C CA 0.571 59.547 59.018 -0.071 0.000 2.218 366 C CB -0.029 27.666 27.740 -0.076 0.000 2.687 366 C HN 0.776 nan 8.230 nan 0.000 0.634 367 S N 0.811 116.460 115.700 -0.086 0.000 3.922 367 S HA -0.153 4.538 4.470 0.369 0.000 0.641 367 S C 0.136 174.687 174.600 -0.083 0.000 1.746 367 S CA 0.972 59.113 58.200 -0.099 0.000 1.907 367 S CB -0.686 62.424 63.200 -0.151 0.000 0.326 367 S HN 1.596 nan 8.310 nan 0.000 1.786 368 E N -0.331 119.822 120.200 -0.078 0.000 2.637 368 E HA -0.161 4.410 4.350 0.369 0.000 0.265 368 E C -1.959 174.543 176.600 -0.164 0.000 1.073 368 E CA 1.294 57.638 56.400 -0.092 0.000 0.778 368 E CB -1.007 28.652 29.700 -0.069 0.000 1.362 368 E HN 0.400 nan 8.360 nan 0.000 0.413 369 P HA 0.109 nan 4.420 nan 0.000 0.271 369 P C -0.411 176.586 177.300 -0.504 0.000 1.233 369 P CA -0.085 62.704 63.100 -0.518 0.000 0.789 369 P CB 0.955 32.107 31.700 -0.913 0.000 0.951 370 V N 1.412 120.959 119.914 -0.612 0.000 2.612 370 V HA 0.211 4.553 4.120 0.369 0.000 0.301 370 V C 0.180 176.053 176.094 -0.369 0.000 1.059 370 V CA -0.305 61.792 62.300 -0.337 0.000 0.886 370 V CB 2.069 33.780 31.823 -0.186 0.000 1.007 370 V HN 0.732 nan 8.190 nan 0.000 0.426 371 W N 1.317 122.586 121.300 -0.052 0.000 3.127 371 W HA 0.224 5.105 4.660 0.369 0.000 0.248 371 W C 0.816 177.307 176.519 -0.048 0.000 1.058 371 W CA -0.218 57.097 57.345 -0.050 0.000 1.783 371 W CB 0.239 29.665 29.460 -0.056 0.000 1.030 371 W HN 0.567 nan 8.180 nan 0.000 0.653 372 K N 1.994 122.507 120.400 0.188 0.000 4.075 372 K HA -0.217 4.325 4.320 0.369 0.000 0.278 372 K C -0.384 176.253 176.600 0.062 0.000 0.862 372 K CA 0.569 56.904 56.287 0.080 0.000 0.762 372 K CB -1.127 31.388 32.500 0.026 0.000 1.660 372 K HN 0.060 nan 8.250 nan 0.000 0.437 373 Q N 1.245 121.084 119.800 0.064 0.000 2.305 373 Q HA 0.267 4.828 4.340 0.369 0.000 0.271 373 Q C -0.332 175.655 176.000 -0.023 0.000 1.046 373 Q CA -0.867 54.948 55.803 0.020 0.000 0.798 373 Q CB 1.722 30.484 28.738 0.040 0.000 1.286 373 Q HN 0.168 nan 8.270 nan 0.000 0.435 374 R N 2.236 122.710 120.500 -0.043 0.000 2.458 374 R HA 0.228 4.789 4.340 0.369 0.000 0.303 374 R C -0.078 176.159 176.300 -0.104 0.000 1.013 374 R CA 0.028 56.086 56.100 -0.070 0.000 1.026 374 R CB -0.228 30.029 30.300 -0.072 0.000 0.948 374 R HN 0.462 nan 8.270 nan 0.000 0.417 375 L N 2.688 123.827 121.223 -0.140 0.000 2.272 375 L HA 0.315 4.876 4.340 0.369 0.000 0.289 375 L C 0.655 177.306 176.870 -0.366 0.000 1.032 375 L CA -0.235 54.447 54.840 -0.264 0.000 0.810 375 L CB 1.154 43.049 42.059 -0.273 0.000 1.205 375 L HN 0.458 nan 8.230 nan 0.000 0.422 376 E N 3.318 123.304 120.200 -0.357 0.000 2.145 376 E HA 0.407 4.979 4.350 0.369 0.000 0.270 376 E C -1.370 175.073 176.600 -0.262 0.000 0.906 376 E CA -0.709 55.541 56.400 -0.249 0.000 0.761 376 E CB 1.277 30.909 29.700 -0.113 0.000 1.116 376 E HN 0.257 nan 8.360 nan 0.000 0.408 377 F N 1.939 121.946 119.950 0.095 0.000 2.379 377 F HA 0.124 4.873 4.527 0.369 0.000 0.332 377 F C 1.029 176.882 175.800 0.088 0.000 1.096 377 F CA -0.637 57.439 58.000 0.127 0.000 1.105 377 F CB 0.914 40.068 39.000 0.256 0.000 1.189 377 F HN 0.405 nan 8.300 nan 0.000 0.515 378 D N 3.359 123.914 120.400 0.258 0.000 2.934 378 D HA 0.262 5.123 4.640 0.369 0.000 0.237 378 D C -0.757 175.612 176.300 0.115 0.000 1.158 378 D CA 0.482 54.563 54.000 0.135 0.000 0.971 378 D CB -0.513 40.338 40.800 0.085 0.000 1.123 378 D HN 0.439 nan 8.370 nan 0.000 0.467 379 I N -0.822 119.832 120.570 0.140 0.000 2.763 379 I HA 0.157 4.548 4.170 0.369 0.000 0.292 379 I C -1.393 174.801 176.117 0.129 0.000 1.610 379 I CA -0.560 60.802 61.300 0.103 0.000 1.002 379 I CB 1.665 39.702 38.000 0.061 0.000 1.416 379 I HN -0.102 nan 8.210 nan 0.000 0.479 380 S N 3.607 119.370 115.700 0.104 0.000 2.562 380 S HA 0.344 5.036 4.470 0.369 0.000 0.275 380 S C 0.849 175.517 174.600 0.112 0.000 1.281 380 S CA -0.455 57.808 58.200 0.104 0.000 1.045 380 S CB 1.625 64.874 63.200 0.081 0.000 0.962 380 S HN 0.467 nan 8.310 nan 0.000 0.503 381 V N 4.017 124.003 119.914 0.120 0.000 2.759 381 V HA -0.141 4.201 4.120 0.369 0.000 0.256 381 V C 2.362 178.515 176.094 0.098 0.000 1.080 381 V CA 1.778 64.157 62.300 0.131 0.000 1.101 381 V CB -1.236 30.683 31.823 0.160 0.000 0.698 381 V HN 1.088 nan 8.190 nan 0.000 0.477 382 C N -1.365 117.961 119.300 0.042 0.000 2.522 382 C HA 0.072 4.753 4.460 0.369 0.000 0.271 382 C C 1.611 176.618 174.990 0.029 0.000 1.425 382 C CA 0.163 59.164 59.018 -0.029 0.000 1.751 382 C CB -1.245 26.400 27.740 -0.157 0.000 1.775 382 C HN 0.516 nan 8.230 nan 0.000 0.557 383 D N 0.948 121.435 120.400 0.144 0.000 2.349 383 D HA 0.223 5.084 4.640 0.369 0.000 0.214 383 D C 0.309 176.727 176.300 0.197 0.000 1.063 383 D CA 0.072 54.210 54.000 0.230 0.000 0.847 383 D CB 0.019 40.939 40.800 0.200 0.000 0.933 383 D HN 0.523 nan 8.370 nan 0.000 0.513 384 L N 3.041 124.384 121.223 0.200 0.000 2.433 384 L HA 0.239 4.800 4.340 0.369 0.000 0.275 384 L C -1.863 175.253 176.870 0.410 0.000 1.128 384 L CA -1.543 53.430 54.840 0.221 0.000 0.875 384 L CB -0.126 42.031 42.059 0.163 0.000 1.171 384 L HN -0.130 nan 8.230 nan 0.000 0.463 385 P HA 0.059 nan 4.420 nan 0.000 0.272 385 P C 0.284 177.639 177.300 0.092 0.000 1.230 385 P CA -0.615 62.662 63.100 0.295 0.000 0.788 385 P CB 0.872 32.676 31.700 0.173 0.000 0.949 386 R N 1.844 122.023 120.500 -0.536 0.000 2.133 386 R HA -0.121 4.440 4.340 0.369 0.000 0.247 386 R C 1.531 177.640 176.300 -0.318 0.000 1.151 386 R CA 2.039 57.487 56.100 -1.087 0.000 0.971 386 R CB -0.779 28.757 30.300 -1.274 0.000 0.866 386 R HN 0.384 nan 8.270 nan 0.000 0.447 387 M N 0.423 119.984 119.600 -0.065 0.000 2.637 387 M HA 0.343 5.045 4.480 0.369 0.000 0.286 387 M C -0.100 176.237 176.300 0.062 0.000 1.246 387 M CA -0.363 54.937 55.300 0.001 0.000 0.978 387 M CB -0.337 32.172 32.600 -0.151 0.000 1.417 387 M HN 0.138 nan 8.290 nan 0.000 0.487 388 A N 1.828 124.758 122.820 0.184 0.000 2.540 388 A HA 0.209 4.751 4.320 0.369 0.000 0.239 388 A C 0.444 178.060 177.584 0.054 0.000 1.061 388 A CA 0.286 52.401 52.037 0.130 0.000 0.758 388 A CB 0.104 19.176 19.000 0.119 0.000 0.991 388 A HN 0.594 nan 8.150 nan 0.000 0.502 389 R N 2.587 123.089 120.500 0.004 0.000 2.451 389 R HA 0.468 5.029 4.340 0.369 0.000 0.307 389 R C -1.530 174.750 176.300 -0.034 0.000 0.965 389 R CA -0.740 55.363 56.100 0.005 0.000 0.865 389 R CB 0.881 31.206 30.300 0.040 0.000 1.174 389 R HN 0.656 nan 8.270 nan 0.000 0.455 390 L N 5.689 126.853 121.223 -0.098 0.000 2.265 390 L HA 0.420 4.981 4.340 0.369 0.000 0.288 390 L C -1.359 175.364 176.870 -0.246 0.000 1.058 390 L CA -0.234 54.471 54.840 -0.225 0.000 0.809 390 L CB 0.899 42.809 42.059 -0.249 0.000 1.179 390 L HN 0.676 nan 8.230 nan 0.000 0.429 391 C N 5.524 124.681 119.300 -0.239 0.000 2.345 391 C HA 0.616 5.298 4.460 0.369 0.000 0.323 391 C C -0.295 174.565 174.990 -0.217 0.000 1.276 391 C CA -0.810 58.144 59.018 -0.107 0.000 1.543 391 C CB 0.155 27.964 27.740 0.115 0.000 2.211 391 C HN 0.666 nan 8.230 nan 0.000 0.493 392 F N 1.721 121.807 119.950 0.226 0.000 2.470 392 F HA 0.730 5.479 4.527 0.369 0.000 0.329 392 F C 0.523 176.461 175.800 0.230 0.000 1.072 392 F CA -0.465 57.646 58.000 0.186 0.000 0.989 392 F CB 1.239 40.307 39.000 0.114 0.000 1.193 392 F HN 0.683 nan 8.300 nan 0.000 0.481 393 A N 2.749 125.810 122.820 0.400 0.000 2.422 393 A HA 0.778 5.320 4.320 0.369 0.000 0.302 393 A C -1.981 175.698 177.584 0.158 0.000 1.041 393 A CA -0.637 51.614 52.037 0.356 0.000 0.708 393 A CB 1.528 20.786 19.000 0.430 0.000 1.257 393 A HN 0.825 nan 8.150 nan 0.000 0.414 394 L N 3.082 124.388 121.223 0.137 0.000 2.333 394 L HA 0.893 5.455 4.340 0.369 0.000 0.280 394 L C -1.146 175.776 176.870 0.087 0.000 1.004 394 L CA -0.388 54.427 54.840 -0.042 0.000 0.820 394 L CB 1.206 43.277 42.059 0.021 0.000 1.247 394 L HN 0.850 nan 8.230 nan 0.000 0.416 395 Y N 3.021 123.398 120.300 0.128 0.000 2.829 395 Y HA 0.954 5.725 4.550 0.369 0.000 0.322 395 Y C -0.951 175.016 175.900 0.112 0.000 1.357 395 Y CA -0.883 57.286 58.100 0.115 0.000 1.081 395 Y CB 0.836 39.358 38.460 0.104 0.000 1.339 395 Y HN 0.640 nan 8.280 nan 0.000 0.469 396 A N 0.396 123.442 122.820 0.377 0.000 2.479 396 A HA 0.926 5.467 4.320 0.369 0.000 0.296 396 A C -1.592 176.136 177.584 0.239 0.000 1.121 396 A CA -0.682 51.504 52.037 0.249 0.000 0.743 396 A CB 1.910 21.003 19.000 0.155 0.000 1.323 396 A HN 1.452 nan 8.150 nan 0.000 0.415 397 V N 0.295 120.314 119.914 0.175 0.000 3.236 397 V HA 0.467 4.808 4.120 0.369 0.000 0.287 397 V C -0.595 175.558 176.094 0.098 0.000 1.491 397 V CA -0.452 61.931 62.300 0.137 0.000 1.037 397 V CB 2.109 34.036 31.823 0.173 0.000 1.160 397 V HN 1.102 nan 8.190 nan 0.000 0.453 416 C N 4.840 124.174 119.300 0.057 0.000 2.437 416 C HA 0.555 5.236 4.460 0.369 0.000 0.307 416 C C -2.418 172.661 174.990 0.147 0.000 1.093 416 C CA -1.745 57.326 59.018 0.088 0.000 1.463 416 C CB -0.064 27.733 27.740 0.095 0.000 1.926 416 C HN 0.315 nan 8.230 nan 0.000 0.420 417 P HA 0.323 nan 4.420 nan 0.000 0.269 417 P C 0.241 177.661 177.300 0.201 0.000 1.215 417 P CA 0.330 63.547 63.100 0.195 0.000 0.780 417 P CB 0.757 32.539 31.700 0.136 0.000 0.898 418 I N 0.084 120.796 120.570 0.238 0.000 3.990 418 I HA 0.366 4.757 4.170 0.369 0.000 0.275 418 I C 0.538 176.769 176.117 0.190 0.000 1.157 418 I CA 0.233 61.643 61.300 0.184 0.000 1.338 418 I CB 0.372 38.466 38.000 0.157 0.000 1.588 418 I HN 0.304 nan 8.210 nan 0.000 0.441 419 A N 0.563 123.520 122.820 0.228 0.000 2.612 419 A HA 0.645 5.187 4.320 0.369 0.000 0.293 419 A C -2.238 175.544 177.584 0.330 0.000 1.075 419 A CA -0.524 51.637 52.037 0.206 0.000 0.680 419 A CB 1.121 20.164 19.000 0.072 0.000 1.279 419 A HN 0.312 nan 8.150 nan 0.000 0.411 420 W N -0.738 120.685 121.300 0.205 0.000 3.029 420 W HA 0.868 5.749 4.660 0.369 0.000 0.339 420 W C -0.700 175.988 176.519 0.281 0.000 1.198 420 W CA -0.786 56.691 57.345 0.220 0.000 1.148 420 W CB 1.391 30.957 29.460 0.176 0.000 1.451 420 W HN 1.756 nan 8.180 nan 0.000 0.564 421 A N 2.322 125.473 122.820 0.551 0.000 2.577 421 A HA 0.577 5.119 4.320 0.369 0.000 0.297 421 A C -1.696 176.198 177.584 0.517 0.000 1.060 421 A CA -0.780 51.497 52.037 0.401 0.000 0.697 421 A CB 1.455 20.579 19.000 0.206 0.000 1.281 421 A HN 0.581 nan 8.150 nan 0.000 0.402 422 N N 0.616 119.585 118.700 0.448 0.000 2.265 422 N HA 0.811 5.772 4.740 0.369 0.000 0.300 422 N C -1.288 174.354 175.510 0.221 0.000 1.148 422 N CA -0.498 52.728 53.050 0.294 0.000 0.772 422 N CB 2.201 40.837 38.487 0.248 0.000 1.434 422 N HN 0.843 nan 8.380 nan 0.000 0.481 423 L N -1.546 119.765 121.223 0.147 0.000 2.466 423 L HA 0.612 5.174 4.340 0.369 0.000 0.258 423 L C -0.642 176.273 176.870 0.075 0.000 0.973 423 L CA -0.936 53.977 54.840 0.122 0.000 0.826 423 L CB 0.424 42.576 42.059 0.155 0.000 1.372 423 L HN 0.274 nan 8.230 nan 0.000 0.409 424 M N 2.843 122.487 119.600 0.072 0.000 2.239 424 M HA 0.261 4.963 4.480 0.369 0.000 0.348 424 M C 1.297 177.670 176.300 0.122 0.000 1.239 424 M CA 0.045 55.404 55.300 0.100 0.000 1.114 424 M CB 0.649 33.331 32.600 0.136 0.000 1.641 424 M HN 0.762 nan 8.290 nan 0.000 0.453 425 L N 1.759 123.031 121.223 0.082 0.000 2.313 425 L HA 0.039 4.601 4.340 0.369 0.000 0.214 425 L C 0.113 176.869 176.870 -0.190 0.000 1.119 425 L CA 0.738 55.534 54.840 -0.074 0.000 0.809 425 L CB -0.163 41.746 42.059 -0.249 0.000 0.933 425 L HN 0.441 nan 8.230 nan 0.000 0.449 426 F N 0.265 120.302 119.950 0.144 0.000 2.469 426 F HA 0.218 4.966 4.527 0.369 0.000 0.332 426 F C 0.575 176.506 175.800 0.219 0.000 1.103 426 F CA -1.722 56.370 58.000 0.152 0.000 0.979 426 F CB 0.978 40.067 39.000 0.147 0.000 1.137 426 F HN -0.050 nan 8.300 nan 0.000 0.463 427 D N 1.217 121.802 120.400 0.308 0.000 2.380 427 D HA -0.093 4.769 4.640 0.369 0.000 0.254 427 D C 0.724 177.086 176.300 0.104 0.000 1.288 427 D CA -0.239 53.929 54.000 0.279 0.000 1.008 427 D CB -0.063 40.817 40.800 0.133 0.000 1.099 427 D HN 0.655 nan 8.370 nan 0.000 0.537 428 Y N -2.734 117.526 120.300 -0.065 0.000 2.578 428 Y HA 0.262 5.033 4.550 0.370 0.000 0.297 428 Y C 0.893 176.652 175.900 -0.234 0.000 1.176 428 Y CA 0.060 57.879 58.100 -0.468 0.000 1.315 428 Y CB 0.008 38.355 38.460 -0.188 0.000 1.031 428 Y HN -0.019 nan 8.280 nan 0.000 0.524 429 K N 0.949 121.071 120.400 -0.464 0.000 2.455 429 K HA 0.081 4.623 4.320 0.369 0.000 0.206 429 K C -0.226 176.403 176.600 0.048 0.000 1.027 429 K CA 0.475 56.595 56.287 -0.278 0.000 1.113 429 K CB -0.149 32.148 32.500 -0.339 0.000 0.850 429 K HN 0.481 nan 8.250 nan 0.000 0.503 430 D N -0.098 120.338 120.400 0.060 0.000 2.978 430 D HA -0.233 4.628 4.640 0.369 0.000 0.205 430 D C 0.294 176.877 176.300 0.472 0.000 1.093 430 D CA 0.942 55.067 54.000 0.208 0.000 1.006 430 D CB -0.651 40.257 40.800 0.180 0.000 1.116 430 D HN 0.384 nan 8.370 nan 0.000 0.419 431 Q N 0.401 120.404 119.800 0.338 0.000 2.259 431 Q HA 0.392 4.954 4.340 0.369 0.000 0.249 431 Q C -0.241 175.841 176.000 0.137 0.000 0.914 431 Q CA -0.669 55.145 55.803 0.018 0.000 0.904 431 Q CB 1.218 29.803 28.738 -0.254 0.000 1.213 431 Q HN 0.239 nan 8.270 nan 0.000 0.428 432 L N 3.476 124.687 121.223 -0.020 0.000 2.397 432 L HA 0.218 4.779 4.340 0.369 0.000 0.271 432 L C -0.647 176.110 176.870 -0.189 0.000 1.148 432 L CA 0.385 55.032 54.840 -0.323 0.000 0.825 432 L CB 0.663 42.498 42.059 -0.372 0.000 1.117 432 L HN 0.498 nan 8.230 nan 0.000 0.456 433 K N 3.048 123.344 120.400 -0.174 0.000 2.205 433 K HA 0.541 5.083 4.320 0.369 0.000 0.279 433 K C -0.406 176.146 176.600 -0.080 0.000 1.027 433 K CA -0.192 56.048 56.287 -0.078 0.000 0.932 433 K CB 0.981 33.467 32.500 -0.024 0.000 1.032 433 K HN 0.849 nan 8.250 nan 0.000 0.466 434 T N -1.914 112.581 114.554 -0.099 0.000 2.802 434 T HA 0.393 4.964 4.350 0.369 0.000 0.311 434 T C 0.592 175.175 174.700 -0.194 0.000 1.405 434 T CA -0.689 61.312 62.100 -0.163 0.000 1.016 434 T CB 1.504 70.307 68.868 -0.108 0.000 1.352 434 T HN 0.472 nan 8.240 nan 0.000 0.498 435 G N -0.181 108.420 108.800 -0.333 0.000 2.688 435 G HA2 0.303 4.485 3.960 0.369 0.000 0.214 435 G HA3 0.303 4.485 3.960 0.369 0.000 0.214 435 G C 0.227 174.416 174.900 -1.185 0.000 1.211 435 G CA 0.126 44.718 45.100 -0.846 0.000 0.853 435 G HN 0.966 nan 8.290 nan 0.000 0.591 436 E N -0.104 119.621 120.200 -0.792 0.000 2.248 436 E HA 0.637 5.209 4.350 0.369 0.000 0.272 436 E C -0.931 175.575 176.600 -0.157 0.000 1.008 436 E CA -0.721 55.456 56.400 -0.372 0.000 0.856 436 E CB 1.182 30.861 29.700 -0.035 0.000 1.120 436 E HN -0.007 nan 8.360 nan 0.000 0.397 437 R N 1.450 121.899 120.500 -0.085 0.000 2.673 437 R HA 0.353 4.915 4.340 0.369 0.000 0.281 437 R C -1.629 174.618 176.300 -0.089 0.000 0.991 437 R CA -0.481 55.583 56.100 -0.059 0.000 0.896 437 R CB 1.810 32.095 30.300 -0.025 0.000 1.201 437 R HN 0.572 nan 8.270 nan 0.000 0.457 438 C N 5.281 124.505 119.300 -0.126 0.000 2.273 438 C HA 0.578 5.260 4.460 0.369 0.000 0.328 438 C C -0.638 174.114 174.990 -0.397 0.000 1.275 438 C CA -0.638 58.214 59.018 -0.277 0.000 1.704 438 C CB -0.801 26.743 27.740 -0.326 0.000 2.326 438 C HN 0.688 nan 8.230 nan 0.000 0.517 439 L N 7.214 128.196 121.223 -0.402 0.000 2.277 439 L HA 0.359 4.921 4.340 0.369 0.000 0.284 439 L C -0.910 175.703 176.870 -0.429 0.000 1.028 439 L CA -0.412 54.245 54.840 -0.306 0.000 0.835 439 L CB 0.476 42.451 42.059 -0.140 0.000 1.215 439 L HN 0.646 nan 8.230 nan 0.000 0.425 440 Y N 3.757 123.956 120.300 -0.168 0.000 2.486 440 Y HA 0.293 5.065 4.550 0.370 0.000 0.348 440 Y C 0.669 176.300 175.900 -0.448 0.000 1.000 440 Y CA -0.233 57.704 58.100 -0.271 0.000 1.253 440 Y CB 0.456 38.745 38.460 -0.284 0.000 1.140 440 Y HN 0.466 nan 8.280 nan 0.000 0.526 441 M N 2.671 122.109 119.600 -0.271 0.000 2.288 441 M HA 0.213 4.915 4.480 0.369 0.000 0.334 441 M C -0.920 175.043 176.300 -0.561 0.000 1.150 441 M CA -0.354 54.723 55.300 -0.373 0.000 1.118 441 M CB 0.965 33.460 32.600 -0.175 0.000 1.501 441 M HN 0.597 nan 8.290 nan 0.000 0.462 442 W N 2.484 123.415 121.300 -0.614 0.000 2.390 442 W HA 0.389 5.270 4.660 0.368 0.000 0.312 442 W C -2.027 174.264 176.519 -0.380 0.000 1.123 442 W CA -1.603 55.365 57.345 -0.628 0.000 1.202 442 W CB -0.034 28.727 29.460 -1.166 0.000 1.251 442 W HN 0.312 nan 8.180 nan 0.000 0.511 443 P HA 0.057 nan 4.420 nan 0.000 0.270 443 P C -0.426 177.042 177.300 0.280 0.000 1.223 443 P CA -0.107 63.080 63.100 0.145 0.000 0.785 443 P CB 0.788 32.561 31.700 0.121 0.000 0.923 444 S N 1.009 116.869 115.700 0.266 0.000 2.433 444 S HA 0.290 4.981 4.470 0.369 0.000 0.310 444 S C 0.149 174.864 174.600 0.192 0.000 1.097 444 S CA -0.602 57.785 58.200 0.313 0.000 1.103 444 S CB 0.509 63.895 63.200 0.311 0.000 0.992 444 S HN 0.517 nan 8.310 nan 0.000 0.469 453 L N 1.626 122.882 121.223 0.054 0.000 2.375 453 L HA 0.721 5.282 4.340 0.369 0.000 0.271 453 L C 0.416 177.184 176.870 -0.170 0.000 1.107 453 L CA 0.083 54.944 54.840 0.035 0.000 0.806 453 L CB 1.281 43.423 42.059 0.139 0.000 1.146 453 L HN 0.526 nan 8.230 nan 0.000 0.447 454 N N 3.090 121.626 118.700 -0.273 0.000 2.844 454 N HA 0.332 5.294 4.740 0.369 0.000 0.268 454 N C -2.127 173.066 175.510 -0.528 0.000 1.574 454 N CA -1.612 51.120 53.050 -0.530 0.000 0.838 454 N CB 0.926 38.821 38.487 -0.987 0.000 1.177 454 N HN 0.194 nan 8.380 nan 0.000 0.495 455 P HA -0.114 nan 4.420 nan 0.000 0.216 455 P C 0.894 177.982 177.300 -0.354 0.000 1.150 455 P CA 0.952 63.733 63.100 -0.532 0.000 0.837 455 P CB 0.220 31.409 31.700 -0.853 0.000 0.786 456 A N -0.019 122.495 122.820 -0.509 0.000 2.168 456 A HA 0.185 4.727 4.320 0.369 0.000 0.215 456 A C 1.527 178.769 177.584 -0.570 0.000 1.152 456 A CA 0.635 52.195 52.037 -0.795 0.000 0.716 456 A CB -1.407 17.169 19.000 -0.707 0.000 0.794 456 A HN 0.290 nan 8.150 nan 0.000 0.465 457 G N -0.376 108.082 108.800 -0.570 0.000 2.432 457 G HA2 0.344 4.526 3.960 0.369 0.000 0.239 457 G HA3 0.344 4.526 3.960 0.369 0.000 0.239 457 G C 0.339 175.175 174.900 -0.107 0.000 1.291 457 G CA 0.554 45.308 45.100 -0.576 0.000 0.863 457 G HN 0.234 nan 8.290 nan 0.000 0.560 458 T N -0.544 114.009 114.554 -0.001 0.000 2.906 458 T HA 0.034 4.605 4.350 0.369 0.000 0.329 458 T C 1.500 176.303 174.700 0.172 0.000 1.091 458 T CA 0.574 62.684 62.100 0.016 0.000 1.127 458 T CB 0.391 69.210 68.868 -0.081 0.000 1.035 458 T HN 1.022 nan 8.240 nan 0.000 0.547 459 V N 2.523 122.494 119.914 0.095 0.000 3.342 459 V HA 0.468 4.809 4.120 0.369 0.000 0.322 459 V C 0.668 176.848 176.094 0.143 0.000 1.370 459 V CA -0.274 62.098 62.300 0.119 0.000 1.170 459 V CB -0.898 30.934 31.823 0.015 0.000 1.101 459 V HN 0.707 nan 8.190 nan 0.000 0.442 460 R N 0.412 121.028 120.500 0.192 0.000 2.778 460 R HA 0.695 5.256 4.340 0.369 0.000 0.277 460 R C 0.589 177.075 176.300 0.310 0.000 0.977 460 R CA -0.087 56.132 56.100 0.198 0.000 0.950 460 R CB 1.792 32.181 30.300 0.148 0.000 1.165 460 R HN 0.431 nan 8.270 nan 0.000 0.474 461 G N 1.391 110.293 108.800 0.169 0.000 2.606 461 G HA2 -0.032 4.149 3.960 0.369 0.000 0.252 461 G HA3 -0.032 4.149 3.960 0.369 0.000 0.252 461 G C -0.475 174.260 174.900 -0.275 0.000 1.206 461 G CA -0.499 44.605 45.100 0.008 0.000 0.861 461 G HN 0.621 nan 8.290 nan 0.000 0.561 462 N N 1.139 119.280 118.700 -0.932 0.000 2.452 462 N HA 0.103 5.064 4.740 0.369 0.000 0.266 462 N C -0.858 174.283 175.510 -0.615 0.000 1.209 462 N CA -1.914 50.295 53.050 -1.403 0.000 0.929 462 N CB 1.554 39.171 38.487 -1.450 0.000 1.063 462 N HN 0.107 nan 8.380 nan 0.000 0.472 463 P HA -0.090 nan 4.420 nan 0.000 0.223 463 P C 0.143 177.272 177.300 -0.285 0.000 1.151 463 P CA 0.579 63.522 63.100 -0.261 0.000 0.787 463 P CB 0.186 31.811 31.700 -0.126 0.000 0.788 464 N N 1.345 119.871 118.700 -0.289 0.000 3.103 464 N HA -0.022 4.940 4.740 0.369 0.000 0.305 464 N C 0.957 176.291 175.510 -0.292 0.000 1.232 464 N CA 0.326 53.236 53.050 -0.233 0.000 1.190 464 N CB -0.689 37.696 38.487 -0.170 0.000 1.461 464 N HN 0.074 nan 8.380 nan 0.000 0.538 465 T N -1.893 112.425 114.554 -0.392 0.000 3.007 465 T HA -0.145 4.427 4.350 0.369 0.000 0.270 465 T C 1.384 175.901 174.700 -0.306 0.000 1.107 465 T CA 0.980 62.729 62.100 -0.585 0.000 1.118 465 T CB -0.042 68.293 68.868 -0.889 0.000 0.889 465 T HN 0.537 nan 8.240 nan 0.000 0.506 466 E N 0.913 120.996 120.200 -0.196 0.000 2.038 466 E HA -0.160 4.411 4.350 0.369 0.000 0.195 466 E C 2.285 178.840 176.600 -0.076 0.000 1.000 466 E CA 1.447 57.782 56.400 -0.109 0.000 0.803 466 E CB -0.335 29.313 29.700 -0.086 0.000 0.750 466 E HN 0.514 nan 8.360 nan 0.000 0.448 467 S N -0.604 115.045 115.700 -0.085 0.000 2.456 467 S HA 0.274 4.966 4.470 0.369 0.000 0.224 467 S C 0.486 175.056 174.600 -0.050 0.000 1.035 467 S CA 0.265 58.431 58.200 -0.056 0.000 0.940 467 S CB 0.104 63.271 63.200 -0.055 0.000 0.799 467 S HN 0.452 nan 8.310 nan 0.000 0.508 468 A N 1.853 124.625 122.820 -0.079 0.000 2.546 468 A HA 0.578 5.120 4.320 0.369 0.000 0.243 468 A C 0.516 178.102 177.584 0.003 0.000 1.063 468 A CA 0.160 52.156 52.037 -0.068 0.000 0.757 468 A CB -0.235 18.687 19.000 -0.130 0.000 0.991 468 A HN 0.593 nan 8.150 nan 0.000 0.503 469 A N 1.839 124.649 122.820 -0.017 0.000 2.498 469 A HA 0.520 5.062 4.320 0.369 0.000 0.239 469 A C 0.619 178.189 177.584 -0.025 0.000 1.068 469 A CA 0.558 52.591 52.037 -0.006 0.000 0.766 469 A CB -0.074 18.924 19.000 -0.003 0.000 1.003 469 A HN 2.360 nan 8.150 nan 0.000 0.497 470 A N 2.017 124.809 122.820 -0.046 0.000 2.422 470 A HA 0.673 5.215 4.320 0.369 0.000 0.302 470 A C -0.892 176.594 177.584 -0.162 0.000 1.041 470 A CA -0.410 51.523 52.037 -0.172 0.000 0.708 470 A CB 1.071 19.921 19.000 -0.249 0.000 1.257 470 A HN 0.827 nan 8.150 nan 0.000 0.414 471 L N 3.091 124.181 121.223 -0.223 0.000 2.319 471 L HA 0.537 5.099 4.340 0.369 0.000 0.281 471 L C -0.339 176.402 176.870 -0.216 0.000 1.005 471 L CA -1.038 53.692 54.840 -0.182 0.000 0.828 471 L CB 1.871 43.779 42.059 -0.252 0.000 1.227 471 L HN 0.668 nan 8.230 nan 0.000 0.415 472 V N 3.100 122.935 119.914 -0.133 0.000 2.439 472 V HA 0.688 5.030 4.120 0.369 0.000 0.282 472 V C -0.116 175.934 176.094 -0.073 0.000 1.039 472 V CA -0.454 61.785 62.300 -0.102 0.000 0.913 472 V CB 1.249 33.043 31.823 -0.049 0.000 0.983 472 V HN 0.693 nan 8.190 nan 0.000 0.460 473 I N 2.052 122.587 120.570 -0.060 0.000 3.264 473 I HA 0.734 5.126 4.170 0.369 0.000 0.315 473 I C -1.613 174.556 176.117 0.086 0.000 1.154 473 I CA -1.321 59.974 61.300 -0.008 0.000 0.962 473 I CB 2.632 40.591 38.000 -0.068 0.000 1.265 473 I HN 0.675 nan 8.210 nan 0.000 0.463 474 Y N 3.001 123.297 120.300 -0.006 0.000 2.322 474 Y HA 0.609 5.381 4.550 0.369 0.000 0.324 474 Y C -1.583 174.311 175.900 -0.010 0.000 1.027 474 Y CA -0.782 57.315 58.100 -0.006 0.000 1.179 474 Y CB 1.560 40.009 38.460 -0.018 0.000 1.136 474 Y HN 0.519 nan 8.280 nan 0.000 0.449 475 L N 9.180 130.313 121.223 -0.149 0.000 2.325 475 L HA 0.379 4.940 4.340 0.369 0.000 0.284 475 L C -2.251 174.584 176.870 -0.060 0.000 1.089 475 L CA -1.743 53.055 54.840 -0.070 0.000 0.836 475 L CB 0.266 42.297 42.059 -0.047 0.000 1.184 475 L HN 0.498 nan 8.230 nan 0.000 0.444 476 P HA 0.052 nan 4.420 nan 0.000 0.267 476 P C -0.789 176.561 177.300 0.083 0.000 1.205 476 P CA -0.499 62.727 63.100 0.210 0.000 0.765 476 P CB 0.248 32.000 31.700 0.086 0.000 0.828 477 E N 1.661 121.927 120.200 0.110 0.000 2.161 477 E HA 0.059 4.630 4.350 0.369 0.000 0.263 477 E C 0.614 177.234 176.600 0.032 0.000 1.185 477 E CA -0.576 55.849 56.400 0.043 0.000 0.938 477 E CB -0.022 29.708 29.700 0.049 0.000 1.023 477 E HN 0.267 nan 8.360 nan 0.000 0.433 478 V N 0.752 120.674 119.914 0.013 0.000 3.564 478 V HA 0.348 4.689 4.120 0.369 0.000 0.283 478 V C 0.472 176.567 176.094 0.001 0.000 1.227 478 V CA 0.542 62.846 62.300 0.008 0.000 1.217 478 V CB -1.592 30.237 31.823 0.010 0.000 0.994 478 V HN 0.735 nan 8.190 nan 0.000 0.446 483 V N -0.457 119.270 119.914 -0.313 0.000 2.577 483 V HA 0.792 5.134 4.120 0.369 0.000 0.303 483 V C -1.226 174.704 176.094 -0.273 0.000 1.042 483 V CA -0.690 61.511 62.300 -0.165 0.000 0.872 483 V CB 1.665 33.477 31.823 -0.019 0.000 0.998 483 V HN 0.414 nan 8.190 nan 0.000 0.423 484 Y N 3.028 123.427 120.300 0.164 0.000 2.487 484 Y HA 0.635 5.407 4.550 0.369 0.000 0.337 484 Y C -0.066 175.960 175.900 0.210 0.000 1.076 484 Y CA -1.146 57.077 58.100 0.205 0.000 1.115 484 Y CB 1.916 40.450 38.460 0.123 0.000 1.235 484 Y HN 0.757 nan 8.280 nan 0.000 0.468 485 F N 4.413 124.489 119.950 0.211 0.000 2.543 485 F HA 0.256 5.005 4.527 0.369 0.000 0.375 485 F C -1.920 173.936 175.800 0.094 0.000 1.075 485 F CA -1.861 56.149 58.000 0.017 0.000 1.225 485 F CB 0.348 39.164 39.000 -0.307 0.000 1.099 485 F HN 0.285 nan 8.300 nan 0.000 0.561 486 P HA 0.113 nan 4.420 nan 0.000 0.266 486 P C -0.919 176.476 177.300 0.159 0.000 1.195 486 P CA -0.177 62.940 63.100 0.029 0.000 0.768 486 P CB 0.474 32.116 31.700 -0.098 0.000 0.838 487 A N 2.390 125.282 122.820 0.121 0.000 2.492 487 A HA -0.014 4.527 4.320 0.369 0.000 0.236 487 A C 1.370 179.038 177.584 0.139 0.000 1.078 487 A CA -0.170 51.946 52.037 0.133 0.000 0.773 487 A CB -0.375 18.672 19.000 0.077 0.000 1.023 487 A HN 0.655 nan 8.150 nan 0.000 0.504 488 L N 0.741 122.060 121.223 0.160 0.000 2.046 488 L HA -0.181 4.381 4.340 0.369 0.000 0.208 488 L C 2.530 179.432 176.870 0.054 0.000 1.077 488 L CA 2.799 57.703 54.840 0.107 0.000 0.747 488 L CB -0.899 41.232 42.059 0.120 0.000 0.896 488 L HN 0.967 nan 8.230 nan 0.000 0.432 489 E N -1.242 118.992 120.200 0.056 0.000 2.070 489 E HA -0.286 4.285 4.350 0.369 0.000 0.197 489 E C 1.952 178.566 176.600 0.023 0.000 1.004 489 E CA 1.323 57.747 56.400 0.039 0.000 0.805 489 E CB -0.442 29.277 29.700 0.032 0.000 0.744 489 E HN 0.324 nan 8.360 nan 0.000 0.451 490 K N 0.472 120.884 120.400 0.020 0.000 2.032 490 K HA -0.112 4.430 4.320 0.369 0.000 0.209 490 K C 2.218 178.815 176.600 -0.005 0.000 1.048 490 K CA 1.135 57.419 56.287 -0.006 0.000 0.927 490 K CB -0.283 32.212 32.500 -0.007 0.000 0.712 490 K HN 0.315 nan 8.250 nan 0.000 0.441 491 I N 1.246 121.833 120.570 0.028 0.000 2.226 491 I HA -0.238 4.154 4.170 0.369 0.000 0.245 491 I C 2.412 178.547 176.117 0.030 0.000 1.100 491 I CA 1.092 62.414 61.300 0.037 0.000 1.374 491 I CB -1.067 36.966 38.000 0.055 0.000 1.057 491 I HN 0.101 nan 8.210 nan 0.000 0.413 492 L N 0.208 121.456 121.223 0.043 0.000 2.093 492 L HA -0.179 4.382 4.340 0.369 0.000 0.208 492 L C 2.564 179.457 176.870 0.037 0.000 1.085 492 L CA 1.108 56.010 54.840 0.104 0.000 0.755 492 L CB -0.397 41.729 42.059 0.112 0.000 0.904 492 L HN 0.274 nan 8.230 nan 0.000 0.435 493 E N -0.025 120.169 120.200 -0.010 0.000 2.007 493 E HA -0.236 4.336 4.350 0.369 0.000 0.203 493 E C 0.989 177.523 176.600 -0.110 0.000 1.020 493 E CA 1.027 57.390 56.400 -0.062 0.000 0.845 493 E CB -0.260 29.403 29.700 -0.063 0.000 0.779 493 E HN 0.099 nan 8.360 nan 0.000 0.466 512 R N 1.694 122.157 120.500 -0.061 0.000 2.070 512 R HA 0.005 4.567 4.340 0.369 0.000 0.227 512 R C 1.543 177.736 176.300 -0.178 0.000 1.147 512 R CA 2.267 58.296 56.100 -0.117 0.000 0.924 512 R CB -0.351 29.874 30.300 -0.124 0.000 0.827 512 R HN 0.582 nan 8.270 nan 0.000 0.431 513 E N 0.416 120.503 120.200 -0.188 0.000 2.118 513 E HA -0.212 4.359 4.350 0.369 0.000 0.195 513 E C 2.039 178.564 176.600 -0.125 0.000 0.992 513 E CA 1.043 57.314 56.400 -0.215 0.000 0.804 513 E CB -0.256 29.388 29.700 -0.094 0.000 0.741 513 E HN 0.146 nan 8.360 nan 0.000 0.458 514 I N 1.229 121.754 120.570 -0.075 0.000 2.163 514 I HA -0.270 4.122 4.170 0.369 0.000 0.243 514 I C 2.228 178.314 176.117 -0.051 0.000 1.085 514 I CA 1.149 62.422 61.300 -0.045 0.000 1.347 514 I CB -0.084 37.904 38.000 -0.021 0.000 1.044 514 I HN 0.110 nan 8.210 nan 0.000 0.408 515 L N -1.209 119.975 121.223 -0.066 0.000 2.179 515 L HA 0.059 4.620 4.340 0.369 0.000 0.208 515 L C 1.509 178.330 176.870 -0.082 0.000 1.096 515 L CA 1.196 55.995 54.840 -0.068 0.000 0.779 515 L CB -1.181 40.833 42.059 -0.076 0.000 0.922 515 L HN 0.085 nan 8.230 nan 0.000 0.443 516 E N 2.549 122.679 120.200 -0.117 0.000 1.999 516 E HA 0.135 4.707 4.350 0.369 0.000 0.296 516 E C -0.534 176.009 176.600 -0.096 0.000 1.187 516 E CA -0.149 56.170 56.400 -0.135 0.000 1.229 516 E CB -0.056 29.492 29.700 -0.253 0.000 1.131 516 E HN 0.452 nan 8.360 nan 0.000 0.478 523 L N -1.208 119.896 121.223 -0.199 0.000 2.466 523 L HA 0.624 5.186 4.340 0.369 0.000 0.258 523 L C -1.032 175.721 176.870 -0.196 0.000 0.973 523 L CA -1.182 53.507 54.840 -0.252 0.000 0.826 523 L CB 1.035 43.009 42.059 -0.142 0.000 1.372 523 L HN 0.376 nan 8.230 nan 0.000 0.409 524 Y N 0.511 120.803 120.300 -0.012 0.000 2.385 524 Y HA 0.080 4.851 4.550 0.369 0.000 0.346 524 Y C 1.574 177.496 175.900 0.035 0.000 1.270 524 Y CA 0.266 58.393 58.100 0.046 0.000 1.472 524 Y CB 0.525 39.080 38.460 0.159 0.000 1.354 524 Y HN 0.809 nan 8.280 nan 0.000 0.611 525 E N 0.771 121.150 120.200 0.298 0.000 2.049 525 E HA -0.304 4.268 4.350 0.369 0.000 0.198 525 E C 1.971 178.668 176.600 0.162 0.000 1.007 525 E CA 2.425 58.929 56.400 0.173 0.000 0.809 525 E CB -0.361 29.425 29.700 0.142 0.000 0.749 525 E HN 0.869 nan 8.360 nan 0.000 0.450 526 H N -1.039 118.079 119.070 0.081 0.000 2.387 526 H HA 0.033 4.810 4.556 0.369 0.000 0.299 526 H C 1.957 177.330 175.328 0.074 0.000 1.090 526 H CA 1.262 57.347 56.048 0.063 0.000 1.332 526 H CB -0.252 29.538 29.762 0.046 0.000 1.386 526 H HN 0.233 nan 8.280 nan 0.000 0.516 527 E N 1.181 121.067 120.200 -0.524 0.000 2.058 527 E HA -0.188 4.384 4.350 0.369 0.000 0.194 527 E C 2.145 178.677 176.600 -0.113 0.000 0.997 527 E CA 1.518 57.702 56.400 -0.361 0.000 0.801 527 E CB -0.028 29.500 29.700 -0.288 0.000 0.746 527 E HN 0.564 nan 8.360 nan 0.000 0.450 528 K N 0.739 121.113 120.400 -0.044 0.000 2.063 528 K HA -0.183 4.359 4.320 0.369 0.000 0.208 528 K C 1.831 178.469 176.600 0.064 0.000 1.048 528 K CA 1.717 58.012 56.287 0.014 0.000 0.928 528 K CB -0.070 32.438 32.500 0.013 0.000 0.713 528 K HN 0.064 nan 8.250 nan 0.000 0.442 529 D N 0.711 121.148 120.400 0.062 0.000 2.123 529 D HA -0.168 4.694 4.640 0.369 0.000 0.196 529 D C 1.754 178.127 176.300 0.122 0.000 0.992 529 D CA 0.747 54.812 54.000 0.107 0.000 0.833 529 D CB -0.257 40.602 40.800 0.098 0.000 0.954 529 D HN -0.005 nan 8.370 nan 0.000 0.455 530 L N 1.026 122.285 121.223 0.061 0.000 2.012 530 L HA -0.139 4.422 4.340 0.369 0.000 0.210 530 L C 2.300 179.199 176.870 0.048 0.000 1.073 530 L CA 1.269 56.135 54.840 0.042 0.000 0.748 530 L CB -0.934 41.121 42.059 -0.007 0.000 0.891 530 L HN -0.070 nan 8.230 nan 0.000 0.431 531 V N -0.745 119.200 119.914 0.051 0.000 2.233 531 V HA -0.365 3.977 4.120 0.369 0.000 0.247 531 V C 2.305 178.455 176.094 0.093 0.000 1.050 531 V CA 2.288 64.624 62.300 0.058 0.000 1.010 531 V CB -1.072 30.792 31.823 0.068 0.000 0.637 531 V HN 0.676 nan 8.190 nan 0.000 0.444 532 W N 1.661 122.943 121.300 -0.030 0.000 2.338 532 W HA -0.303 4.578 4.660 0.369 0.000 0.304 532 W C 2.540 179.042 176.519 -0.028 0.000 1.212 532 W CA 2.436 59.755 57.345 -0.042 0.000 1.264 532 W CB -0.181 29.243 29.460 -0.060 0.000 1.142 532 W HN 0.289 nan 8.180 nan 0.000 0.512 533 K N 0.342 120.757 120.400 0.025 0.000 2.211 533 K HA -0.197 4.345 4.320 0.369 0.000 0.204 533 K C 1.627 178.178 176.600 -0.083 0.000 1.047 533 K CA 1.635 57.901 56.287 -0.034 0.000 0.935 533 K CB -0.472 32.066 32.500 0.063 0.000 0.728 533 K HN -0.026 nan 8.250 nan 0.000 0.452 534 M N 1.319 120.878 119.600 -0.068 0.000 2.475 534 M HA 0.120 4.822 4.480 0.369 0.000 0.261 534 M C 0.866 177.134 176.300 -0.053 0.000 1.177 534 M CA 0.200 55.488 55.300 -0.020 0.000 0.979 534 M CB 0.124 32.736 32.600 0.020 0.000 1.482 534 M HN 0.233 nan 8.290 nan 0.000 0.484 535 R N -0.810 119.549 120.500 -0.235 0.000 2.127 535 R HA -0.170 4.391 4.340 0.369 0.000 0.238 535 R C 1.169 177.333 176.300 -0.227 0.000 1.134 535 R CA 1.828 57.752 56.100 -0.293 0.000 0.975 535 R CB -0.964 28.962 30.300 -0.624 0.000 0.865 535 R HN 0.374 nan 8.270 nan 0.000 0.447 536 H N 0.590 119.604 119.070 -0.094 0.000 2.423 536 H HA 0.016 4.793 4.556 0.369 0.000 0.297 536 H C 1.765 177.055 175.328 -0.062 0.000 1.075 536 H CA 1.394 57.392 56.048 -0.083 0.000 1.342 536 H CB 0.140 29.863 29.762 -0.066 0.000 1.395 536 H HN 0.295 nan 8.280 nan 0.000 0.530 537 E N 0.433 120.711 120.200 0.129 0.000 2.158 537 E HA -0.071 4.500 4.350 0.369 0.000 0.191 537 E C 2.469 179.208 176.600 0.232 0.000 0.982 537 E CA 0.457 56.972 56.400 0.192 0.000 0.823 537 E CB -0.354 29.456 29.700 0.184 0.000 0.766 537 E HN 0.299 nan 8.360 nan 0.000 0.468 538 V N 1.773 121.801 119.914 0.190 0.000 2.255 538 V HA -0.295 4.047 4.120 0.369 0.000 0.247 538 V C 2.705 178.814 176.094 0.025 0.000 1.051 538 V CA 2.179 64.636 62.300 0.262 0.000 1.018 538 V CB -0.658 31.313 31.823 0.247 0.000 0.641 538 V HN 0.270 nan 8.190 nan 0.000 0.445 539 Q N -0.159 119.464 119.800 -0.295 0.000 2.061 539 Q HA -0.280 4.282 4.340 0.369 0.000 0.204 539 Q C 2.251 177.847 176.000 -0.674 0.000 0.984 539 Q CA 2.322 57.521 55.803 -1.006 0.000 0.846 539 Q CB -0.080 28.171 28.738 -0.812 0.000 0.902 539 Q HN 0.743 nan 8.270 nan 0.000 0.421 540 E N -1.549 118.424 120.200 -0.379 0.000 2.158 540 E HA -0.133 4.438 4.350 0.369 0.000 0.191 540 E C 1.283 177.500 176.600 -0.639 0.000 0.982 540 E CA 1.013 57.139 56.400 -0.456 0.000 0.823 540 E CB 0.193 29.675 29.700 -0.363 0.000 0.766 540 E HN 0.517 nan 8.360 nan 0.000 0.468 541 H N -2.444 116.420 119.070 -0.342 0.000 3.058 541 H HA 0.195 4.972 4.556 0.369 0.000 0.258 541 H C -0.250 174.517 175.328 -0.935 0.000 1.015 541 H CA 0.114 55.772 56.048 -0.650 0.000 1.210 541 H CB 0.733 29.993 29.762 -0.836 0.000 1.481 541 H HN -0.021 nan 8.280 nan 0.000 0.492 542 F N 0.722 120.693 119.950 0.035 0.000 2.619 542 F HA 0.277 5.026 4.527 0.369 0.000 0.382 542 F C -1.847 174.013 175.800 0.101 0.000 1.466 542 F CA -1.967 56.072 58.000 0.065 0.000 1.137 542 F CB 1.139 40.192 39.000 0.087 0.000 1.205 542 F HN -0.032 nan 8.300 nan 0.000 0.525 543 P HA -0.238 nan 4.420 nan 0.000 0.218 543 P C 0.774 178.400 177.300 0.542 0.000 1.146 543 P CA 1.616 64.852 63.100 0.227 0.000 0.820 543 P CB 0.277 31.958 31.700 -0.032 0.000 0.778 544 E N -0.728 119.669 120.200 0.328 0.000 2.511 544 E HA 0.093 4.665 4.350 0.369 0.000 0.196 544 E C 1.388 178.111 176.600 0.205 0.000 1.066 544 E CA 0.189 56.738 56.400 0.247 0.000 0.871 544 E CB -0.168 29.639 29.700 0.179 0.000 0.863 544 E HN 0.249 nan 8.360 nan 0.000 0.520 545 A N 0.559 123.539 122.820 0.266 0.000 2.460 545 A HA 0.089 4.630 4.320 0.369 0.000 0.258 545 A C 1.605 179.252 177.584 0.106 0.000 1.300 545 A CA -0.235 51.904 52.037 0.171 0.000 0.913 545 A CB -0.051 19.046 19.000 0.162 0.000 1.031 545 A HN 0.185 nan 8.150 nan 0.000 0.512 546 L N 0.179 121.419 121.223 0.029 0.000 2.021 546 L HA -0.233 4.328 4.340 0.369 0.000 0.215 546 L C 2.527 179.212 176.870 -0.309 0.000 1.074 546 L CA 2.659 57.259 54.840 -0.401 0.000 0.760 546 L CB -0.696 40.846 42.059 -0.862 0.000 0.889 546 L HN 0.398 nan 8.230 nan 0.000 0.433 547 A N -0.833 121.844 122.820 -0.238 0.000 1.902 547 A HA -0.250 4.292 4.320 0.369 0.000 0.217 547 A C 2.544 180.168 177.584 0.067 0.000 1.181 547 A CA 1.807 53.728 52.037 -0.194 0.000 0.623 547 A CB -0.643 18.233 19.000 -0.206 0.000 0.818 547 A HN 0.518 nan 8.150 nan 0.000 0.443 548 R N -0.978 119.554 120.500 0.054 0.000 2.115 548 R HA -0.087 4.474 4.340 0.369 0.000 0.230 548 R C 1.983 178.340 176.300 0.095 0.000 1.111 548 R CA 1.437 57.587 56.100 0.084 0.000 0.976 548 R CB -0.287 30.044 30.300 0.052 0.000 0.870 548 R HN 0.475 nan 8.270 nan 0.000 0.445 549 L N 0.696 121.965 121.223 0.076 0.000 2.156 549 L HA -0.033 4.528 4.340 0.369 0.000 0.208 549 L C 1.725 178.685 176.870 0.150 0.000 1.095 549 L CA 1.467 56.373 54.840 0.111 0.000 0.770 549 L CB -0.190 41.920 42.059 0.085 0.000 0.914 549 L HN 0.178 nan 8.230 nan 0.000 0.439 550 L N -1.098 120.210 121.223 0.143 0.000 2.093 550 L HA -0.192 4.369 4.340 0.369 0.000 0.208 550 L C 2.354 179.496 176.870 0.453 0.000 1.085 550 L CA 1.062 56.096 54.840 0.324 0.000 0.755 550 L CB -0.485 41.769 42.059 0.324 0.000 0.904 550 L HN 0.289 nan 8.230 nan 0.000 0.435 551 L N -0.329 121.086 121.223 0.320 0.000 2.478 551 L HA -0.078 4.484 4.340 0.369 0.000 0.223 551 L C 2.157 179.111 176.870 0.140 0.000 1.140 551 L CA 0.354 55.329 54.840 0.225 0.000 0.842 551 L CB -0.083 42.061 42.059 0.140 0.000 0.953 551 L HN 0.255 nan 8.230 nan 0.000 0.452 552 V N -5.017 114.963 119.914 0.110 0.000 3.471 552 V HA 0.072 4.413 4.120 0.369 0.000 0.258 552 V C 1.337 177.350 176.094 -0.135 0.000 1.192 552 V CA 0.250 62.564 62.300 0.024 0.000 1.116 552 V CB -0.364 31.498 31.823 0.065 0.000 0.792 552 V HN 0.365 nan 8.190 nan 0.000 0.459 553 T N 1.146 115.579 114.554 -0.201 0.000 2.900 553 T HA 0.165 4.737 4.350 0.369 0.000 0.307 553 T C 0.225 174.459 174.700 -0.776 0.000 1.065 553 T CA -0.302 61.376 62.100 -0.703 0.000 1.105 553 T CB 0.545 68.936 68.868 -0.796 0.000 0.979 553 T HN 0.396 nan 8.240 nan 0.000 0.544 554 K N 4.018 123.902 120.400 -0.860 0.000 2.180 554 K HA 0.083 4.624 4.320 0.369 0.000 0.250 554 K C 0.353 176.666 176.600 -0.480 0.000 1.135 554 K CA -0.108 55.850 56.287 -0.548 0.000 1.037 554 K CB -0.010 32.191 32.500 -0.497 0.000 1.624 554 K HN 0.799 nan 8.250 nan 0.000 0.382 555 W N 1.277 122.419 121.300 -0.263 0.000 2.480 555 W HA -0.168 4.714 4.660 0.370 0.000 0.257 555 W C 1.370 177.739 176.519 -0.250 0.000 1.235 555 W CA 0.497 57.643 57.345 -0.332 0.000 1.218 555 W CB -0.187 28.924 29.460 -0.582 0.000 1.131 555 W HN 0.499 nan 8.180 nan 0.000 0.606 556 N N 0.146 118.822 118.700 -0.041 0.000 2.279 556 N HA 0.023 4.984 4.740 0.369 0.000 0.226 556 N C -0.480 175.007 175.510 -0.039 0.000 1.126 556 N CA 0.228 53.262 53.050 -0.025 0.000 0.846 556 N CB -0.106 38.361 38.487 -0.033 0.000 1.050 556 N HN -0.171 nan 8.380 nan 0.000 0.502 557 K N 1.082 121.425 120.400 -0.094 0.000 2.613 557 K HA 0.117 4.659 4.320 0.369 0.000 0.248 557 K C 0.707 177.216 176.600 -0.152 0.000 0.959 557 K CA -0.504 55.703 56.287 -0.133 0.000 0.855 557 K CB 0.928 33.295 32.500 -0.221 0.000 1.143 557 K HN 0.263 nan 8.250 nan 0.000 0.437 558 H N 1.472 120.554 119.070 0.020 0.000 2.387 558 H HA -0.058 4.719 4.556 0.369 0.000 0.299 558 H C 0.701 176.051 175.328 0.036 0.000 1.099 558 H CA 1.399 57.483 56.048 0.059 0.000 1.315 558 H CB 0.382 30.196 29.762 0.087 0.000 1.380 558 H HN 0.584 nan 8.280 nan 0.000 0.513 559 E N 0.817 120.673 120.200 -0.572 0.000 2.085 559 E HA -0.159 4.412 4.350 0.369 0.000 0.194 559 E C 1.676 178.228 176.600 -0.079 0.000 0.994 559 E CA 1.578 57.833 56.400 -0.241 0.000 0.801 559 E CB 0.053 29.583 29.700 -0.283 0.000 0.743 559 E HN 0.580 nan 8.360 nan 0.000 0.453 560 D N -0.296 120.023 120.400 -0.136 0.000 2.183 560 D HA -0.107 4.755 4.640 0.369 0.000 0.203 560 D C 1.921 178.185 176.300 -0.060 0.000 0.969 560 D CA 0.548 54.510 54.000 -0.064 0.000 0.842 560 D CB -0.022 40.509 40.800 -0.448 0.000 0.957 560 D HN 0.014 nan 8.370 nan 0.000 0.484 561 V N 0.977 120.788 119.914 -0.170 0.000 2.427 561 V HA -0.169 4.173 4.120 0.369 0.000 0.248 561 V C 2.427 178.532 176.094 0.018 0.000 1.051 561 V CA 1.582 63.781 62.300 -0.170 0.000 1.048 561 V CB -0.788 31.020 31.823 -0.026 0.000 0.666 561 V HN 0.207 nan 8.190 nan 0.000 0.456 562 A N -0.440 122.420 122.820 0.066 0.000 1.902 562 A HA -0.295 4.247 4.320 0.369 0.000 0.217 562 A C 2.203 179.835 177.584 0.081 0.000 1.181 562 A CA 2.032 54.119 52.037 0.083 0.000 0.623 562 A CB -0.470 18.577 19.000 0.078 0.000 0.818 562 A HN 0.615 nan 8.150 nan 0.000 0.443 563 Q N -1.798 118.054 119.800 0.086 0.000 2.079 563 Q HA -0.186 4.375 4.340 0.369 0.000 0.200 563 Q C 2.155 178.205 176.000 0.084 0.000 0.974 563 Q CA 1.662 57.515 55.803 0.083 0.000 0.840 563 Q CB -0.316 28.476 28.738 0.091 0.000 0.898 563 Q HN 0.667 nan 8.270 nan 0.000 0.430 564 M N 0.653 120.311 119.600 0.097 0.000 2.065 564 M HA -0.157 4.544 4.480 0.369 0.000 0.259 564 M C 1.663 177.985 176.300 0.036 0.000 1.069 564 M CA 1.621 56.947 55.300 0.044 0.000 1.110 564 M CB -0.457 32.151 32.600 0.014 0.000 1.328 564 M HN 0.139 nan 8.290 nan 0.000 0.405 565 L N -0.610 120.641 121.223 0.047 0.000 2.012 565 L HA -0.220 4.342 4.340 0.369 0.000 0.210 565 L C 2.428 179.314 176.870 0.027 0.000 1.073 565 L CA 2.027 56.874 54.840 0.012 0.000 0.748 565 L CB -1.850 40.186 42.059 -0.038 0.000 0.891 565 L HN 0.512 nan 8.230 nan 0.000 0.431 566 Y N -0.149 120.127 120.300 -0.040 0.000 2.102 566 Y HA -0.315 4.456 4.550 0.369 0.000 0.280 566 Y C 2.393 178.303 175.900 0.016 0.000 1.178 566 Y CA 1.752 59.840 58.100 -0.020 0.000 1.146 566 Y CB -0.382 38.071 38.460 -0.011 0.000 0.968 566 Y HN 0.083 nan 8.280 nan 0.000 0.504 567 L N -0.817 120.420 121.223 0.023 0.000 2.046 567 L HA -0.221 4.340 4.340 0.369 0.000 0.208 567 L C 2.453 179.409 176.870 0.144 0.000 1.077 567 L CA 1.395 56.249 54.840 0.024 0.000 0.747 567 L CB -0.774 41.355 42.059 0.117 0.000 0.896 567 L HN 0.360 nan 8.230 nan 0.000 0.432 568 L N -0.633 120.631 121.223 0.067 0.000 2.131 568 L HA -0.190 4.371 4.340 0.369 0.000 0.210 568 L C 2.372 179.276 176.870 0.058 0.000 1.092 568 L CA 1.576 56.404 54.840 -0.021 0.000 0.759 568 L CB -0.595 41.364 42.059 -0.166 0.000 0.903 568 L HN 0.228 nan 8.230 nan 0.000 0.435 569 C N -0.552 118.750 119.300 0.004 0.000 2.456 569 C HA 0.020 4.701 4.460 0.369 0.000 0.279 569 C C 2.426 177.422 174.990 0.010 0.000 1.427 569 C CA 0.905 59.926 59.018 0.005 0.000 1.778 569 C CB -1.398 26.299 27.740 -0.071 0.000 1.842 569 C HN 0.802 nan 8.230 nan 0.000 0.531 570 S N -2.699 112.991 115.700 -0.016 0.000 2.650 570 S HA 0.108 4.799 4.470 0.369 0.000 0.240 570 S C 0.001 174.633 174.600 0.054 0.000 1.007 570 S CA -0.403 57.778 58.200 -0.031 0.000 0.984 570 S CB -0.278 62.820 63.200 -0.171 0.000 0.910 570 S HN 0.622 nan 8.310 nan 0.000 0.509 571 W N 5.086 126.377 121.300 -0.015 0.000 2.303 571 W HA 0.308 5.190 4.660 0.369 0.000 0.318 571 W C -2.615 174.007 176.519 0.172 0.000 1.362 571 W CA -1.974 55.383 57.345 0.020 0.000 1.234 571 W CB 0.632 30.017 29.460 -0.125 0.000 1.248 571 W HN 0.142 nan 8.180 nan 0.000 0.546 572 P HA -0.063 nan 4.420 nan 0.000 0.267 572 P C -0.394 177.152 177.300 0.409 0.000 1.200 572 P CA 0.621 63.833 63.100 0.186 0.000 0.772 572 P CB 0.718 32.430 31.700 0.021 0.000 0.855 573 E N 0.801 121.101 120.200 0.166 0.000 2.436 573 E HA 0.079 4.650 4.350 0.369 0.000 0.262 573 E C 0.003 176.681 176.600 0.129 0.000 1.063 573 E CA 0.034 56.433 56.400 -0.001 0.000 0.944 573 E CB 0.192 29.822 29.700 -0.117 0.000 0.950 573 E HN 0.361 nan 8.360 nan 0.000 0.444 574 L N 2.899 124.178 121.223 0.094 0.000 2.332 574 L HA 0.427 4.988 4.340 0.369 0.000 0.269 574 L C -2.169 174.728 176.870 0.045 0.000 1.016 574 L CA -2.459 52.463 54.840 0.137 0.000 0.809 574 L CB 1.100 43.288 42.059 0.215 0.000 1.280 574 L HN 0.286 nan 8.230 nan 0.000 0.447 575 P HA -0.003 nan 4.420 nan 0.000 0.269 575 P C 0.862 178.177 177.300 0.025 0.000 1.215 575 P CA -0.254 62.870 63.100 0.039 0.000 0.780 575 P CB 0.669 32.402 31.700 0.054 0.000 0.898 576 V N 1.970 121.901 119.914 0.028 0.000 2.324 576 V HA -0.245 4.096 4.120 0.369 0.000 0.250 576 V C 2.222 178.319 176.094 0.006 0.000 1.060 576 V CA 1.845 64.160 62.300 0.025 0.000 1.042 576 V CB -1.037 30.831 31.823 0.076 0.000 0.650 576 V HN 0.526 nan 8.190 nan 0.000 0.450 577 L N 0.212 121.455 121.223 0.033 0.000 2.042 577 L HA -0.167 4.395 4.340 0.369 0.000 0.210 577 L C 2.495 179.387 176.870 0.037 0.000 1.076 577 L CA 2.449 57.323 54.840 0.056 0.000 0.749 577 L CB -0.714 41.402 42.059 0.095 0.000 0.893 577 L HN 0.345 nan 8.230 nan 0.000 0.432 578 S N -0.265 115.445 115.700 0.018 0.000 2.387 578 S HA -0.054 4.637 4.470 0.369 0.000 0.226 578 S C 2.114 176.636 174.600 -0.129 0.000 1.026 578 S CA 0.860 59.036 58.200 -0.041 0.000 0.972 578 S CB -0.630 62.583 63.200 0.021 0.000 0.814 578 S HN 0.648 nan 8.310 nan 0.000 0.477 579 A N 1.902 124.671 122.820 -0.084 0.000 1.908 579 A HA -0.049 4.493 4.320 0.369 0.000 0.218 579 A C 2.107 179.599 177.584 -0.153 0.000 1.181 579 A CA 1.236 53.210 52.037 -0.105 0.000 0.627 579 A CB -0.850 18.093 19.000 -0.095 0.000 0.818 579 A HN 0.453 nan 8.150 nan 0.000 0.445 580 L N -0.877 120.244 121.223 -0.169 0.000 2.127 580 L HA -0.221 4.341 4.340 0.369 0.000 0.211 580 L C 2.640 179.341 176.870 -0.282 0.000 1.089 580 L CA 1.794 56.516 54.840 -0.196 0.000 0.757 580 L CB -0.421 41.511 42.059 -0.213 0.000 0.899 580 L HN 0.629 nan 8.230 nan 0.000 0.434 581 E N 0.654 120.540 120.200 -0.523 0.000 2.072 581 E HA -0.208 4.363 4.350 0.369 0.000 0.191 581 E C 2.272 178.746 176.600 -0.210 0.000 0.985 581 E CA 0.893 56.952 56.400 -0.569 0.000 0.801 581 E CB -0.019 29.242 29.700 -0.731 0.000 0.750 581 E HN 0.479 nan 8.360 nan 0.000 0.452 582 L N 0.763 121.787 121.223 -0.333 0.000 2.362 582 L HA -0.108 4.453 4.340 0.369 0.000 0.219 582 L C 2.069 178.898 176.870 -0.067 0.000 1.134 582 L CA 0.378 54.945 54.840 -0.456 0.000 0.807 582 L CB -0.121 41.688 42.059 -0.417 0.000 0.927 582 L HN 0.244 nan 8.230 nan 0.000 0.447 583 L N -0.832 120.392 121.223 0.002 0.000 2.599 583 L HA 0.013 4.575 4.340 0.369 0.000 0.230 583 L C 0.631 177.598 176.870 0.163 0.000 1.141 583 L CA -0.195 54.691 54.840 0.076 0.000 0.877 583 L CB -0.362 41.723 42.059 0.044 0.000 1.009 583 L HN 0.192 nan 8.230 nan 0.000 0.447 584 D N -0.633 119.891 120.400 0.207 0.000 2.400 584 D HA -0.149 4.713 4.640 0.369 0.000 0.238 584 D C 0.920 177.181 176.300 -0.065 0.000 1.157 584 D CA 0.018 54.094 54.000 0.128 0.000 0.889 584 D CB 0.669 41.547 40.800 0.129 0.000 1.199 584 D HN 0.013 nan 8.370 nan 0.000 0.436 585 F N 1.776 121.390 119.950 -0.561 0.000 2.408 585 F HA -0.101 4.647 4.527 0.370 0.000 0.300 585 F C 2.067 177.506 175.800 -0.603 0.000 1.090 585 F CA 0.902 58.440 58.000 -0.772 0.000 1.427 585 F CB -0.245 38.021 39.000 -1.223 0.000 1.070 585 F HN 0.273 nan 8.300 nan 0.000 0.549 586 S N -0.289 114.945 115.700 -0.776 0.000 2.595 586 S HA -0.078 4.614 4.470 0.369 0.000 0.235 586 S C 0.095 173.905 174.600 -1.316 0.000 0.974 586 S CA 0.408 57.969 58.200 -1.065 0.000 0.942 586 S CB -0.727 61.754 63.200 -1.198 0.000 0.766 586 S HN 0.295 nan 8.310 nan 0.000 0.536 587 F N 0.820 120.513 119.950 -0.428 0.000 2.564 587 F HA 0.345 5.093 4.527 0.369 0.000 0.329 587 F C -2.003 173.529 175.800 -0.446 0.000 1.458 587 F CA -2.417 55.349 58.000 -0.390 0.000 1.117 587 F CB 0.788 39.646 39.000 -0.237 0.000 1.383 587 F HN -0.060 nan 8.300 nan 0.000 0.571 588 P HA -0.102 nan 4.420 nan 0.000 0.229 588 P C 0.221 177.275 177.300 -0.410 0.000 1.160 588 P CA 0.635 63.402 63.100 -0.556 0.000 0.777 588 P CB 0.212 31.365 31.700 -0.912 0.000 0.814 589 D N 0.130 120.292 120.400 -0.398 0.000 2.450 589 D HA -0.043 4.819 4.640 0.369 0.000 0.247 589 D C 1.354 177.605 176.300 -0.082 0.000 1.162 589 D CA -0.133 53.754 54.000 -0.187 0.000 0.879 589 D CB 0.560 41.285 40.800 -0.124 0.000 1.163 589 D HN 0.146 nan 8.370 nan 0.000 0.472 590 C N 3.176 122.418 119.300 -0.096 0.000 2.449 590 C HA -0.038 4.644 4.460 0.369 0.000 0.283 590 C C 1.954 176.857 174.990 -0.145 0.000 1.453 590 C CA -0.096 58.843 59.018 -0.132 0.000 1.779 590 C CB -1.762 25.858 27.740 -0.200 0.000 1.779 590 C HN 0.684 nan 8.230 nan 0.000 0.546 591 Y N 1.274 121.582 120.300 0.014 0.000 2.269 591 Y HA 0.047 4.819 4.550 0.369 0.000 0.294 591 Y C 2.789 178.718 175.900 0.048 0.000 1.120 591 Y CA 1.355 59.482 58.100 0.045 0.000 1.159 591 Y CB -0.640 37.861 38.460 0.068 0.000 1.024 591 Y HN 0.137 nan 8.280 nan 0.000 0.532 592 V N -0.274 119.743 119.914 0.171 0.000 2.252 592 V HA -0.327 4.015 4.120 0.369 0.000 0.249 592 V C 2.530 178.658 176.094 0.056 0.000 1.056 592 V CA 2.174 64.503 62.300 0.047 0.000 1.022 592 V CB -1.479 30.335 31.823 -0.014 0.000 0.641 592 V HN 0.563 nan 8.190 nan 0.000 0.445 593 G N -1.321 107.494 108.800 0.025 0.000 2.422 593 G HA2 -0.300 3.882 3.960 0.369 0.000 0.218 593 G HA3 -0.300 3.882 3.960 0.369 0.000 0.218 593 G C 1.900 176.806 174.900 0.009 0.000 1.146 593 G CA 1.277 46.381 45.100 0.008 0.000 0.769 593 G HN 0.491 nan 8.290 nan 0.000 0.547 594 S N -0.067 115.649 115.700 0.027 0.000 2.351 594 S HA -0.170 4.521 4.470 0.369 0.000 0.220 594 S C 2.080 176.708 174.600 0.046 0.000 1.035 594 S CA 1.611 59.825 58.200 0.023 0.000 1.031 594 S CB -0.507 62.718 63.200 0.043 0.000 0.928 594 S HN 0.386 nan 8.310 nan 0.000 0.433 595 F N 2.225 122.155 119.950 -0.035 0.000 2.120 595 F HA -0.142 4.606 4.527 0.369 0.000 0.300 595 F C 2.244 177.981 175.800 -0.105 0.000 1.095 595 F CA 1.529 59.496 58.000 -0.056 0.000 1.249 595 F CB -0.757 38.203 39.000 -0.066 0.000 0.995 595 F HN 0.298 nan 8.300 nan 0.000 0.480 596 A N 0.844 123.720 122.820 0.093 0.000 1.858 596 A HA -0.157 4.384 4.320 0.369 0.000 0.216 596 A C 2.189 179.654 177.584 -0.198 0.000 1.190 596 A CA 1.800 53.817 52.037 -0.034 0.000 0.617 596 A CB -1.019 17.964 19.000 -0.029 0.000 0.827 596 A HN 0.405 nan 8.150 nan 0.000 0.443 597 I N 0.083 120.521 120.570 -0.220 0.000 2.208 597 I HA -0.242 4.150 4.170 0.369 0.000 0.245 597 I C 2.375 178.245 176.117 -0.411 0.000 1.097 597 I CA 2.022 63.086 61.300 -0.393 0.000 1.363 597 I CB -1.199 36.594 38.000 -0.345 0.000 1.051 597 I HN 0.466 nan 8.210 nan 0.000 0.413 598 K N 0.959 121.171 120.400 -0.313 0.000 2.044 598 K HA -0.171 4.370 4.320 0.369 0.000 0.210 598 K C 2.208 178.601 176.600 -0.346 0.000 1.049 598 K CA 1.952 58.054 56.287 -0.310 0.000 0.927 598 K CB -0.012 32.297 32.500 -0.318 0.000 0.713 598 K HN 0.085 nan 8.250 nan 0.000 0.443 599 S N 0.422 115.866 115.700 -0.427 0.000 2.481 599 S HA 0.043 4.735 4.470 0.369 0.000 0.231 599 S C 1.492 175.967 174.600 -0.209 0.000 0.996 599 S CA 0.551 58.552 58.200 -0.331 0.000 0.942 599 S CB 0.006 63.000 63.200 -0.344 0.000 0.768 599 S HN 0.263 nan 8.310 nan 0.000 0.520 600 L N 0.565 121.633 121.223 -0.258 0.000 2.446 600 L HA 0.165 4.726 4.340 0.369 0.000 0.219 600 L C 2.212 178.987 176.870 -0.159 0.000 1.116 600 L CA 0.257 54.968 54.840 -0.215 0.000 0.844 600 L CB -0.155 41.707 42.059 -0.328 0.000 0.970 600 L HN 0.150 nan 8.230 nan 0.000 0.457 601 R N 1.079 121.461 120.500 -0.197 0.000 2.200 601 R HA -0.182 4.379 4.340 0.369 0.000 0.234 601 R C 1.893 178.244 176.300 0.085 0.000 1.127 601 R CA 1.251 57.361 56.100 0.017 0.000 0.989 601 R CB -0.286 30.012 30.300 -0.003 0.000 0.869 601 R HN 0.462 nan 8.270 nan 0.000 0.459 602 K N 0.696 121.109 120.400 0.023 0.000 2.525 602 K HA 0.041 4.582 4.320 0.369 0.000 0.192 602 K C 0.382 177.019 176.600 0.062 0.000 1.029 602 K CA 0.222 56.530 56.287 0.035 0.000 1.029 602 K CB 0.008 32.511 32.500 0.006 0.000 0.814 602 K HN 0.057 nan 8.250 nan 0.000 0.503 603 L N 3.579 124.862 121.223 0.099 0.000 2.525 603 L HA -0.025 4.537 4.340 0.369 0.000 0.278 603 L C 0.905 177.828 176.870 0.087 0.000 1.218 603 L CA -0.063 54.844 54.840 0.113 0.000 0.878 603 L CB 0.363 42.532 42.059 0.184 0.000 1.127 603 L HN 0.348 nan 8.230 nan 0.000 0.492 604 T N -1.605 112.976 114.554 0.045 0.000 2.813 604 T HA 0.037 4.608 4.350 0.369 0.000 0.297 604 T C 0.845 175.554 174.700 0.016 0.000 1.036 604 T CA -0.796 61.318 62.100 0.024 0.000 1.044 604 T CB 0.980 69.849 68.868 0.001 0.000 0.993 604 T HN 0.527 nan 8.240 nan 0.000 0.535 605 D N 0.541 120.947 120.400 0.009 0.000 2.117 605 D HA -0.085 4.776 4.640 0.369 0.000 0.197 605 D C 1.703 178.007 176.300 0.008 0.000 0.987 605 D CA 1.132 55.136 54.000 0.007 0.000 0.829 605 D CB -0.218 40.577 40.800 -0.008 0.000 0.961 605 D HN 0.609 nan 8.370 nan 0.000 0.460 606 D N 0.834 121.224 120.400 -0.018 0.000 2.123 606 D HA -0.126 4.735 4.640 0.369 0.000 0.196 606 D C 1.966 178.216 176.300 -0.082 0.000 0.992 606 D CA 0.773 54.762 54.000 -0.018 0.000 0.833 606 D CB -0.152 40.619 40.800 -0.047 0.000 0.954 606 D HN 0.387 nan 8.370 nan 0.000 0.455 607 E N -0.031 120.076 120.200 -0.156 0.000 2.051 607 E HA -0.158 4.413 4.350 0.369 0.000 0.192 607 E C 2.107 178.431 176.600 -0.461 0.000 0.991 607 E CA 0.303 56.479 56.400 -0.374 0.000 0.799 607 E CB -0.111 29.463 29.700 -0.210 0.000 0.748 607 E HN 0.076 nan 8.360 nan 0.000 0.449 608 L N 0.689 121.828 121.223 -0.141 0.000 2.013 608 L HA -0.208 4.354 4.340 0.369 0.000 0.212 608 L C 2.130 178.977 176.870 -0.038 0.000 1.073 608 L CA 1.634 56.458 54.840 -0.027 0.000 0.753 608 L CB -0.670 41.420 42.059 0.052 0.000 0.890 608 L HN 0.096 nan 8.230 nan 0.000 0.432 609 F N 0.236 120.090 119.950 -0.161 0.000 2.091 609 F HA -0.307 4.441 4.527 0.369 0.000 0.299 609 F C 2.633 178.300 175.800 -0.221 0.000 1.103 609 F CA 2.141 60.045 58.000 -0.160 0.000 1.228 609 F CB -0.646 38.260 39.000 -0.157 0.000 0.984 609 F HN 0.275 nan 8.300 nan 0.000 0.477 610 Q N -0.494 119.032 119.800 -0.457 0.000 2.181 610 Q HA -0.207 4.354 4.340 0.369 0.000 0.205 610 Q C 1.151 176.896 176.000 -0.425 0.000 0.980 610 Q CA 1.902 57.358 55.803 -0.578 0.000 0.862 610 Q CB -0.552 27.812 28.738 -0.622 0.000 0.905 610 Q HN 0.594 nan 8.270 nan 0.000 0.429 611 Y N -1.239 118.944 120.300 -0.195 0.000 2.507 611 Y HA 0.199 4.970 4.550 0.369 0.000 0.254 611 Y C 1.142 176.950 175.900 -0.154 0.000 1.171 611 Y CA -0.652 57.347 58.100 -0.169 0.000 1.238 611 Y CB -0.409 37.989 38.460 -0.104 0.000 1.148 611 Y HN 0.072 nan 8.280 nan 0.000 0.525 612 L N 0.410 121.588 121.223 -0.075 0.000 2.012 612 L HA -0.186 4.375 4.340 0.369 0.000 0.210 612 L C 2.238 179.021 176.870 -0.144 0.000 1.073 612 L CA 1.497 56.314 54.840 -0.038 0.000 0.748 612 L CB -0.860 41.222 42.059 0.038 0.000 0.891 612 L HN 0.284 nan 8.230 nan 0.000 0.431 613 L N -0.433 120.622 121.223 -0.280 0.000 2.010 613 L HA -0.324 4.237 4.340 0.369 0.000 0.219 613 L C 2.439 179.138 176.870 -0.286 0.000 1.077 613 L CA 2.137 56.699 54.840 -0.462 0.000 0.773 613 L CB -0.903 40.933 42.059 -0.371 0.000 0.892 613 L HN 0.424 nan 8.230 nan 0.000 0.436 614 Q N -0.856 118.838 119.800 -0.177 0.000 2.083 614 Q HA -0.050 4.511 4.340 0.369 0.000 0.198 614 Q C 2.227 178.170 176.000 -0.095 0.000 0.969 614 Q CA 1.680 57.400 55.803 -0.139 0.000 0.838 614 Q CB -0.392 28.275 28.738 -0.119 0.000 0.900 614 Q HN 0.542 nan 8.270 nan 0.000 0.436 615 L N -0.555 120.641 121.223 -0.045 0.000 2.079 615 L HA -0.188 4.373 4.340 0.369 0.000 0.210 615 L C 2.081 178.926 176.870 -0.041 0.000 1.081 615 L CA 0.757 55.598 54.840 0.001 0.000 0.752 615 L CB -0.545 41.560 42.059 0.076 0.000 0.896 615 L HN 0.112 nan 8.230 nan 0.000 0.433 616 V N -0.941 118.911 119.914 -0.103 0.000 2.358 616 V HA -0.234 4.108 4.120 0.369 0.000 0.246 616 V C 2.550 178.584 176.094 -0.101 0.000 1.047 616 V CA 1.327 63.543 62.300 -0.141 0.000 1.035 616 V CB -0.471 31.224 31.823 -0.213 0.000 0.658 616 V HN 0.440 nan 8.190 nan 0.000 0.452 617 Q N -0.168 119.552 119.800 -0.133 0.000 2.135 617 Q HA -0.152 4.410 4.340 0.369 0.000 0.204 617 Q C 2.355 178.192 176.000 -0.271 0.000 0.981 617 Q CA 1.454 57.155 55.803 -0.171 0.000 0.856 617 Q CB -0.908 27.704 28.738 -0.210 0.000 0.902 617 Q HN 0.536 nan 8.270 nan 0.000 0.425 618 V N 1.215 121.007 119.914 -0.204 0.000 2.568 618 V HA -0.236 4.105 4.120 0.369 0.000 0.253 618 V C 2.313 178.357 176.094 -0.083 0.000 1.072 618 V CA 1.143 63.349 62.300 -0.156 0.000 1.084 618 V CB -0.613 31.230 31.823 0.033 0.000 0.676 618 V HN 0.289 nan 8.190 nan 0.000 0.469 619 L N -0.540 120.662 121.223 -0.035 0.000 2.127 619 L HA -0.229 4.333 4.340 0.369 0.000 0.211 619 L C 2.474 179.357 176.870 0.021 0.000 1.089 619 L CA 1.589 56.454 54.840 0.042 0.000 0.757 619 L CB -0.638 41.475 42.059 0.090 0.000 0.899 619 L HN 0.294 nan 8.230 nan 0.000 0.434 620 K N -0.913 119.432 120.400 -0.091 0.000 2.209 620 K HA -0.180 4.361 4.320 0.369 0.000 0.204 620 K C 1.808 178.300 176.600 -0.181 0.000 1.048 620 K CA 1.218 57.386 56.287 -0.198 0.000 0.940 620 K CB -0.113 32.192 32.500 -0.325 0.000 0.729 620 K HN 0.221 nan 8.250 nan 0.000 0.451 621 Y N 1.556 121.779 120.300 -0.128 0.000 2.519 621 Y HA 0.044 4.816 4.550 0.370 0.000 0.287 621 Y C 0.666 176.521 175.900 -0.076 0.000 1.128 621 Y CA 0.002 58.002 58.100 -0.167 0.000 1.282 621 Y CB -0.175 38.246 38.460 -0.064 0.000 1.027 621 Y HN -0.083 nan 8.280 nan 0.000 0.551 622 E N -0.044 120.211 120.200 0.091 0.000 2.413 622 E HA 0.017 4.589 4.350 0.369 0.000 0.263 622 E C 0.867 177.446 176.600 -0.035 0.000 1.015 622 E CA 0.215 56.646 56.400 0.053 0.000 0.916 622 E CB 1.205 30.939 29.700 0.058 0.000 0.947 622 E HN 0.094 nan 8.360 nan 0.000 0.440 623 S N 1.596 117.228 115.700 -0.113 0.000 2.492 623 S HA 0.066 4.758 4.470 0.369 0.000 0.218 623 S C -0.251 173.958 174.600 -0.650 0.000 1.016 623 S CA 0.346 58.307 58.200 -0.399 0.000 0.916 623 S CB 0.163 63.043 63.200 -0.532 0.000 0.791 623 S HN 0.377 nan 8.310 nan 0.000 0.513 624 Y N -0.593 119.737 120.300 0.050 0.000 2.581 624 Y HA 0.457 5.229 4.550 0.369 0.000 0.345 624 Y C 0.756 176.664 175.900 0.014 0.000 1.036 624 Y CA -1.107 57.021 58.100 0.046 0.000 1.042 624 Y CB 0.858 39.371 38.460 0.089 0.000 1.289 624 Y HN -0.195 nan 8.280 nan 0.000 0.471 625 L N 0.029 121.328 121.223 0.127 0.000 2.093 625 L HA -0.057 4.505 4.340 0.369 0.000 0.208 625 L C 0.320 177.328 176.870 0.231 0.000 1.085 625 L CA 1.216 56.042 54.840 -0.024 0.000 0.755 625 L CB -0.004 41.881 42.059 -0.290 0.000 0.904 625 L HN 0.561 nan 8.230 nan 0.000 0.435 626 D N 0.664 121.251 120.400 0.311 0.000 2.393 626 D HA 0.272 5.133 4.640 0.369 0.000 0.232 626 D C -0.608 175.795 176.300 0.172 0.000 1.192 626 D CA -0.263 53.913 54.000 0.293 0.000 0.882 626 D CB 0.576 41.474 40.800 0.164 0.000 1.038 626 D HN 0.239 nan 8.370 nan 0.000 0.499 627 C N 2.304 121.692 119.300 0.146 0.000 3.173 627 C HA 0.509 5.191 4.460 0.369 0.000 0.310 627 C C 1.395 176.415 174.990 0.049 0.000 1.306 627 C CA -0.774 58.301 59.018 0.096 0.000 1.426 627 C CB 1.828 29.643 27.740 0.124 0.000 1.800 627 C HN 0.466 nan 8.230 nan 0.000 0.470 628 E N 0.310 120.524 120.200 0.024 0.000 2.085 628 E HA -0.182 4.389 4.350 0.369 0.000 0.194 628 E C 1.750 178.389 176.600 0.065 0.000 0.994 628 E CA 1.313 57.719 56.400 0.009 0.000 0.801 628 E CB -0.236 29.452 29.700 -0.020 0.000 0.743 628 E HN 0.765 nan 8.360 nan 0.000 0.453 629 L N 1.104 122.377 121.223 0.084 0.000 2.083 629 L HA -0.132 4.430 4.340 0.369 0.000 0.209 629 L C 2.160 179.135 176.870 0.175 0.000 1.083 629 L CA 1.815 56.745 54.840 0.150 0.000 0.752 629 L CB -0.744 41.386 42.059 0.119 0.000 0.899 629 L HN 0.021 nan 8.230 nan 0.000 0.433 630 T N -0.718 113.908 114.554 0.121 0.000 2.770 630 T HA -0.190 4.382 4.350 0.369 0.000 0.263 630 T C 1.825 176.567 174.700 0.070 0.000 1.039 630 T CA 1.603 63.773 62.100 0.116 0.000 1.142 630 T CB -0.142 68.839 68.868 0.189 0.000 0.868 630 T HN 0.287 nan 8.240 nan 0.000 0.435 631 K N 0.824 121.219 120.400 -0.008 0.000 2.103 631 K HA -0.099 4.442 4.320 0.369 0.000 0.207 631 K C 1.902 178.503 176.600 0.001 0.000 1.048 631 K CA 1.286 57.469 56.287 -0.174 0.000 0.930 631 K CB -0.554 31.750 32.500 -0.326 0.000 0.716 631 K HN 0.302 nan 8.250 nan 0.000 0.444 632 F N 0.986 120.914 119.950 -0.037 0.000 2.084 632 F HA -0.040 4.708 4.527 0.369 0.000 0.296 632 F C 1.556 177.398 175.800 0.070 0.000 1.111 632 F CA 1.417 59.430 58.000 0.021 0.000 1.224 632 F CB -0.400 38.606 39.000 0.009 0.000 0.991 632 F HN -0.011 nan 8.300 nan 0.000 0.471 633 L N -0.456 120.716 121.223 -0.085 0.000 2.042 633 L HA -0.236 4.325 4.340 0.369 0.000 0.210 633 L C 2.454 179.286 176.870 -0.062 0.000 1.076 633 L CA 0.811 55.552 54.840 -0.165 0.000 0.749 633 L CB -0.824 41.226 42.059 -0.014 0.000 0.893 633 L HN 0.238 nan 8.230 nan 0.000 0.432 634 L N 0.041 121.303 121.223 0.065 0.000 2.046 634 L HA -0.099 4.463 4.340 0.369 0.000 0.208 634 L C 2.463 179.465 176.870 0.221 0.000 1.077 634 L CA 2.105 57.060 54.840 0.192 0.000 0.747 634 L CB -1.374 40.837 42.059 0.254 0.000 0.896 634 L HN 0.188 nan 8.230 nan 0.000 0.432 635 G N -1.282 107.668 108.800 0.250 0.000 2.402 635 G HA2 -0.212 3.969 3.960 0.369 0.000 0.216 635 G HA3 -0.212 3.969 3.960 0.369 0.000 0.216 635 G C 1.687 176.601 174.900 0.023 0.000 1.162 635 G CA 0.219 45.445 45.100 0.211 0.000 0.777 635 G HN 0.210 nan 8.290 nan 0.000 0.539 636 R N 0.827 121.261 120.500 -0.110 0.000 2.092 636 R HA 0.075 4.636 4.340 0.369 0.000 0.231 636 R C 2.860 179.151 176.300 -0.015 0.000 1.119 636 R CA 1.212 57.228 56.100 -0.140 0.000 0.970 636 R CB -1.082 29.002 30.300 -0.361 0.000 0.864 636 R HN 0.350 nan 8.270 nan 0.000 0.440 637 A N 0.882 123.727 122.820 0.041 0.000 1.969 637 A HA -0.032 4.510 4.320 0.369 0.000 0.218 637 A C 2.282 180.050 177.584 0.306 0.000 1.169 637 A CA 0.857 52.993 52.037 0.166 0.000 0.635 637 A CB -0.369 18.726 19.000 0.158 0.000 0.810 637 A HN 0.176 nan 8.150 nan 0.000 0.445 638 L N -1.237 120.117 121.223 0.218 0.000 2.240 638 L HA -0.026 4.536 4.340 0.369 0.000 0.211 638 L C 2.696 179.620 176.870 0.089 0.000 1.106 638 L CA 0.758 55.674 54.840 0.128 0.000 0.793 638 L CB -0.197 41.840 42.059 -0.037 0.000 0.927 638 L HN 0.409 nan 8.230 nan 0.000 0.446 639 A N -1.052 121.814 122.820 0.076 0.000 2.218 639 A HA 0.013 4.555 4.320 0.369 0.000 0.209 639 A C 0.708 178.410 177.584 0.197 0.000 1.168 639 A CA 0.332 52.416 52.037 0.079 0.000 0.804 639 A CB -0.122 18.882 19.000 0.006 0.000 0.834 639 A HN 0.368 nan 8.150 nan 0.000 0.482 640 N N -0.545 118.256 118.700 0.170 0.000 2.549 640 N HA 0.153 5.115 4.740 0.369 0.000 0.290 640 N C 0.119 175.566 175.510 -0.105 0.000 1.122 640 N CA -0.403 52.641 53.050 -0.010 0.000 0.885 640 N CB 1.198 39.669 38.487 -0.027 0.000 1.455 640 N HN 0.214 nan 8.380 nan 0.000 0.521 641 R N 2.581 122.778 120.500 -0.505 0.000 2.189 641 R HA -0.012 4.550 4.340 0.369 0.000 0.218 641 R C 1.621 177.803 176.300 -0.196 0.000 1.074 641 R CA 1.050 56.871 56.100 -0.465 0.000 0.991 641 R CB 0.299 29.993 30.300 -1.010 0.000 0.883 641 R HN 0.529 nan 8.270 nan 0.000 0.457 642 K N 0.438 120.732 120.400 -0.177 0.000 2.031 642 K HA -0.089 4.453 4.320 0.369 0.000 0.205 642 K C 1.920 178.634 176.600 0.191 0.000 1.049 642 K CA 0.968 57.242 56.287 -0.022 0.000 0.939 642 K CB 0.055 32.478 32.500 -0.129 0.000 0.717 642 K HN 0.039 nan 8.250 nan 0.000 0.438 643 I N 1.496 122.136 120.570 0.117 0.000 2.151 643 I HA -0.193 4.198 4.170 0.369 0.000 0.243 643 I C 2.505 178.742 176.117 0.199 0.000 1.080 643 I CA 1.822 63.243 61.300 0.202 0.000 1.339 643 I CB -1.787 36.276 38.000 0.104 0.000 1.039 643 I HN 0.400 nan 8.210 nan 0.000 0.409 644 G N -0.411 108.482 108.800 0.155 0.000 2.442 644 G HA2 -0.335 3.847 3.960 0.369 0.000 0.219 644 G HA3 -0.335 3.847 3.960 0.369 0.000 0.219 644 G C 1.636 176.543 174.900 0.011 0.000 1.141 644 G CA 1.397 46.546 45.100 0.080 0.000 0.763 644 G HN 0.509 nan 8.290 nan 0.000 0.554 645 H N -0.336 118.794 119.070 0.099 0.000 2.299 645 H HA 0.025 4.803 4.556 0.369 0.000 0.302 645 H C 2.182 177.476 175.328 -0.058 0.000 1.078 645 H CA 1.678 57.739 56.048 0.022 0.000 1.323 645 H CB -0.247 29.467 29.762 -0.080 0.000 1.381 645 H HN 0.319 nan 8.280 nan 0.000 0.498 646 F N -0.354 119.734 119.950 0.231 0.000 2.206 646 F HA -0.061 4.687 4.527 0.369 0.000 0.298 646 F C 2.352 178.112 175.800 -0.066 0.000 1.090 646 F CA 0.693 58.745 58.000 0.086 0.000 1.323 646 F CB -0.594 38.571 39.000 0.274 0.000 1.028 646 F HN 0.217 nan 8.300 nan 0.000 0.492 647 L N -0.061 121.263 121.223 0.169 0.000 1.990 647 L HA -0.274 4.288 4.340 0.369 0.000 0.213 647 L C 2.314 179.107 176.870 -0.128 0.000 1.072 647 L CA 1.776 56.638 54.840 0.036 0.000 0.755 647 L CB -1.196 40.829 42.059 -0.056 0.000 0.889 647 L HN 0.195 nan 8.230 nan 0.000 0.432 648 F N -0.935 118.774 119.950 -0.401 0.000 2.065 648 F HA -0.300 4.448 4.527 0.368 0.000 0.298 648 F C 1.961 177.489 175.800 -0.453 0.000 1.112 648 F CA 2.150 59.820 58.000 -0.549 0.000 1.212 648 F CB -0.813 37.702 39.000 -0.809 0.000 0.975 648 F HN 0.164 nan 8.300 nan 0.000 0.476 649 W N -0.306 120.789 121.300 -0.342 0.000 2.388 649 W HA -0.177 4.705 4.660 0.370 0.000 0.294 649 W C 2.764 179.133 176.519 -0.250 0.000 1.212 649 W CA 1.186 58.316 57.345 -0.359 0.000 1.271 649 W CB -0.590 28.703 29.460 -0.279 0.000 1.126 649 W HN 0.086 nan 8.180 nan 0.000 0.535 650 H N 0.128 119.250 119.070 0.087 0.000 2.352 650 H HA -0.152 4.625 4.556 0.369 0.000 0.299 650 H C 2.164 177.454 175.328 -0.063 0.000 1.097 650 H CA 1.734 57.800 56.048 0.029 0.000 1.311 650 H CB -0.887 28.870 29.762 -0.008 0.000 1.377 650 H HN 0.232 nan 8.280 nan 0.000 0.504 651 L N -0.010 121.134 121.223 -0.132 0.000 2.023 651 L HA -0.120 4.441 4.340 0.369 0.000 0.205 651 L C 2.779 179.610 176.870 -0.066 0.000 1.073 651 L CA 1.070 55.784 54.840 -0.210 0.000 0.745 651 L CB -0.323 41.479 42.059 -0.428 0.000 0.900 651 L HN 0.089 nan 8.230 nan 0.000 0.435 652 R N 1.054 121.323 120.500 -0.385 0.000 2.105 652 R HA -0.170 4.392 4.340 0.369 0.000 0.239 652 R C 2.396 178.712 176.300 0.027 0.000 1.135 652 R CA 1.935 57.821 56.100 -0.358 0.000 0.967 652 R CB -0.799 28.963 30.300 -0.897 0.000 0.861 652 R HN 0.481 nan 8.270 nan 0.000 0.442 653 S N -0.557 115.230 115.700 0.145 0.000 2.555 653 S HA -0.017 4.674 4.470 0.369 0.000 0.230 653 S C 0.980 175.754 174.600 0.290 0.000 0.978 653 S CA 0.846 59.192 58.200 0.242 0.000 0.934 653 S CB -0.109 63.236 63.200 0.241 0.000 0.766 653 S HN 0.507 nan 8.310 nan 0.000 0.533 654 E N 0.072 120.405 120.200 0.222 0.000 2.498 654 E HA 0.222 4.794 4.350 0.369 0.000 0.203 654 E C 0.931 177.484 176.600 -0.079 0.000 1.013 654 E CA -0.278 56.161 56.400 0.065 0.000 0.927 654 E CB 0.043 29.795 29.700 0.088 0.000 1.012 654 E HN 0.422 nan 8.360 nan 0.000 0.482 655 M N 1.178 120.829 119.600 0.085 0.000 2.267 655 M HA -0.147 4.554 4.480 0.369 0.000 0.263 655 M C 1.991 178.297 176.300 0.010 0.000 1.063 655 M CA 1.458 56.784 55.300 0.043 0.000 1.090 655 M CB -1.096 31.552 32.600 0.081 0.000 1.392 655 M HN 0.302 nan 8.290 nan 0.000 0.422 656 H N -1.086 117.986 119.070 0.004 0.000 2.556 656 H HA 0.208 4.987 4.556 0.371 0.000 0.268 656 H C -0.071 175.252 175.328 -0.009 0.000 0.996 656 H CA 0.157 56.208 56.048 0.005 0.000 1.157 656 H CB -0.774 28.999 29.762 0.018 0.000 1.355 656 H HN 0.119 nan 8.280 nan 0.000 0.597 657 V N 3.892 123.536 119.914 -0.449 0.000 2.304 657 V HA 0.111 4.453 4.120 0.369 0.000 0.269 657 V C -1.401 174.583 176.094 -0.183 0.000 1.036 657 V CA -1.243 60.850 62.300 -0.345 0.000 0.840 657 V CB 1.647 33.199 31.823 -0.451 0.000 1.036 657 V HN 0.114 nan 8.190 nan 0.000 0.466 658 P HA -0.203 nan 4.420 nan 0.000 0.217 658 P C 1.855 179.210 177.300 0.092 0.000 1.148 658 P CA 1.834 64.971 63.100 0.062 0.000 0.834 658 P CB 0.183 32.000 31.700 0.195 0.000 0.783 659 S N -1.289 114.390 115.700 -0.036 0.000 2.447 659 S HA -0.082 4.609 4.470 0.369 0.000 0.233 659 S C 1.631 176.089 174.600 -0.237 0.000 1.006 659 S CA 1.334 59.415 58.200 -0.199 0.000 0.957 659 S CB -1.317 61.517 63.200 -0.611 0.000 0.773 659 S HN 0.183 nan 8.310 nan 0.000 0.507 660 V N -2.861 116.845 119.914 -0.346 0.000 3.477 660 V HA 0.699 5.040 4.120 0.369 0.000 0.297 660 V C 2.146 177.958 176.094 -0.468 0.000 1.433 660 V CA 0.136 62.088 62.300 -0.579 0.000 1.052 660 V CB -0.582 30.569 31.823 -1.121 0.000 0.895 660 V HN 0.396 nan 8.190 nan 0.000 0.438 661 A N 1.553 124.233 122.820 -0.233 0.000 1.865 661 A HA -0.162 4.379 4.320 0.369 0.000 0.217 661 A C 2.055 179.652 177.584 0.023 0.000 1.191 661 A CA 2.482 54.467 52.037 -0.086 0.000 0.623 661 A CB -0.636 18.340 19.000 -0.040 0.000 0.826 661 A HN 0.640 nan 8.150 nan 0.000 0.444 662 L N -0.198 121.043 121.223 0.030 0.000 1.970 662 L HA -0.183 4.379 4.340 0.369 0.000 0.212 662 L C 2.520 179.386 176.870 -0.005 0.000 1.071 662 L CA 2.698 57.592 54.840 0.089 0.000 0.751 662 L CB -0.725 41.365 42.059 0.051 0.000 0.889 662 L HN 0.497 nan 8.230 nan 0.000 0.432 663 R N -1.443 119.021 120.500 -0.059 0.000 2.112 663 R HA -0.241 4.320 4.340 0.369 0.000 0.242 663 R C 2.269 178.653 176.300 0.140 0.000 1.137 663 R CA 2.370 58.442 56.100 -0.046 0.000 0.944 663 R CB -0.487 29.829 30.300 0.028 0.000 0.857 663 R HN 0.373 nan 8.270 nan 0.000 0.435 664 F N 0.043 119.938 119.950 -0.092 0.000 2.186 664 F HA 0.075 4.823 4.527 0.368 0.000 0.299 664 F C 2.458 178.244 175.800 -0.023 0.000 1.090 664 F CA 1.031 58.993 58.000 -0.064 0.000 1.307 664 F CB -1.325 37.632 39.000 -0.071 0.000 1.019 664 F HN 0.228 nan 8.300 nan 0.000 0.489 665 G N 0.446 109.384 108.800 0.229 0.000 2.459 665 G HA2 -0.235 3.947 3.960 0.369 0.000 0.217 665 G HA3 -0.235 3.947 3.960 0.369 0.000 0.217 665 G C 1.894 176.908 174.900 0.190 0.000 1.183 665 G CA 0.923 46.196 45.100 0.288 0.000 0.776 665 G HN 0.328 nan 8.290 nan 0.000 0.552 666 L N 0.087 121.264 121.223 -0.076 0.000 2.042 666 L HA -0.066 4.496 4.340 0.369 0.000 0.210 666 L C 2.894 179.838 176.870 0.123 0.000 1.076 666 L CA 0.769 55.475 54.840 -0.222 0.000 0.749 666 L CB -0.378 41.343 42.059 -0.563 0.000 0.893 666 L HN 0.224 nan 8.230 nan 0.000 0.432 667 I N -0.824 119.816 120.570 0.117 0.000 2.179 667 I HA -0.340 4.051 4.170 0.369 0.000 0.242 667 I C 2.629 178.853 176.117 0.178 0.000 1.088 667 I CA 1.526 62.942 61.300 0.194 0.000 1.357 667 I CB -0.261 37.786 38.000 0.078 0.000 1.051 667 I HN 0.237 nan 8.210 nan 0.000 0.409 668 M N 0.018 119.698 119.600 0.133 0.000 2.080 668 M HA -0.270 4.432 4.480 0.369 0.000 0.260 668 M C 2.362 178.807 176.300 0.242 0.000 1.068 668 M CA 1.865 57.276 55.300 0.185 0.000 1.109 668 M CB -0.597 32.080 32.600 0.128 0.000 1.342 668 M HN 0.238 nan 8.290 nan 0.000 0.405 669 E N 0.526 120.853 120.200 0.213 0.000 2.065 669 E HA -0.272 4.300 4.350 0.369 0.000 0.201 669 E C 1.922 178.619 176.600 0.162 0.000 1.016 669 E CA 1.811 58.326 56.400 0.192 0.000 0.818 669 E CB -0.065 29.749 29.700 0.190 0.000 0.749 669 E HN 0.496 nan 8.360 nan 0.000 0.453 670 A N 0.302 123.225 122.820 0.172 0.000 1.883 670 A HA -0.242 4.300 4.320 0.369 0.000 0.217 670 A C 2.094 179.757 177.584 0.131 0.000 1.186 670 A CA 1.762 53.877 52.037 0.130 0.000 0.624 670 A CB -1.189 17.886 19.000 0.125 0.000 0.822 670 A HN 0.623 nan 8.150 nan 0.000 0.444 671 Y N 0.294 120.644 120.300 0.084 0.000 2.069 671 Y HA -0.360 4.412 4.550 0.369 0.000 0.278 671 Y C 2.652 178.581 175.900 0.048 0.000 1.175 671 Y CA 1.794 59.937 58.100 0.071 0.000 1.134 671 Y CB -0.873 37.637 38.460 0.083 0.000 0.965 671 Y HN 0.394 nan 8.280 nan 0.000 0.498 672 C N 0.708 120.060 119.300 0.087 0.000 2.425 672 C HA -0.154 4.528 4.460 0.369 0.000 0.277 672 C C 2.648 177.602 174.990 -0.061 0.000 1.280 672 C CA 0.939 59.955 59.018 -0.005 0.000 1.744 672 C CB -1.110 26.672 27.740 0.070 0.000 1.989 672 C HN 0.509 nan 8.230 nan 0.000 0.491 673 R N 0.641 121.125 120.500 -0.026 0.000 2.159 673 R HA -0.075 4.487 4.340 0.369 0.000 0.237 673 R C 2.289 178.535 176.300 -0.091 0.000 1.131 673 R CA 1.586 57.665 56.100 -0.035 0.000 0.982 673 R CB -1.151 29.144 30.300 -0.008 0.000 0.868 673 R HN 0.644 nan 8.270 nan 0.000 0.453 674 G N -0.877 107.823 108.800 -0.167 0.000 2.539 674 G HA2 -0.093 4.089 3.960 0.369 0.000 0.215 674 G HA3 -0.093 4.089 3.960 0.369 0.000 0.215 674 G C 0.417 175.167 174.900 -0.250 0.000 1.141 674 G CA 0.131 45.097 45.100 -0.224 0.000 0.806 674 G HN 0.255 nan 8.290 nan 0.000 0.533 675 S N -0.356 115.167 115.700 -0.296 0.000 2.383 675 S HA 0.387 5.078 4.470 0.369 0.000 0.196 675 S C 1.216 175.793 174.600 -0.039 0.000 1.364 675 S CA -0.287 57.823 58.200 -0.149 0.000 1.212 675 S CB 0.504 63.631 63.200 -0.121 0.000 1.171 675 S HN 0.084 nan 8.310 nan 0.000 0.456 676 T N 3.121 117.675 114.554 0.000 0.000 2.665 676 T HA -0.175 4.396 4.350 0.369 0.000 0.268 676 T C 1.643 176.380 174.700 0.062 0.000 1.035 676 T CA 1.620 63.733 62.100 0.022 0.000 1.151 676 T CB -0.457 68.426 68.868 0.025 0.000 0.862 676 T HN 0.771 nan 8.240 nan 0.000 0.438 677 H N 0.228 119.326 119.070 0.047 0.000 2.321 677 H HA -0.092 4.685 4.556 0.370 0.000 0.300 677 H C 2.262 177.675 175.328 0.143 0.000 1.087 677 H CA 1.860 57.962 56.048 0.089 0.000 1.319 677 H CB -0.388 29.443 29.762 0.115 0.000 1.379 677 H HN 0.583 nan 8.280 nan 0.000 0.501 678 H N -0.134 119.035 119.070 0.165 0.000 2.457 678 H HA -0.096 4.681 4.556 0.369 0.000 0.294 678 H C 2.617 177.926 175.328 -0.031 0.000 1.064 678 H CA 0.815 56.934 56.048 0.118 0.000 1.330 678 H CB 0.144 30.014 29.762 0.179 0.000 1.395 678 H HN 0.347 nan 8.280 nan 0.000 0.541 679 M N 1.057 120.620 119.600 -0.061 0.000 2.082 679 M HA -0.222 4.479 4.480 0.369 0.000 0.258 679 M C 1.894 178.085 176.300 -0.181 0.000 1.069 679 M CA 1.886 57.077 55.300 -0.182 0.000 1.102 679 M CB -0.050 32.495 32.600 -0.092 0.000 1.336 679 M HN 0.147 nan 8.290 nan 0.000 0.404 680 K N -0.375 119.946 120.400 -0.130 0.000 2.103 680 K HA -0.133 4.408 4.320 0.369 0.000 0.207 680 K C 1.812 178.347 176.600 -0.109 0.000 1.048 680 K CA 1.637 57.848 56.287 -0.127 0.000 0.930 680 K CB -0.328 32.073 32.500 -0.165 0.000 0.716 680 K HN 0.288 nan 8.250 nan 0.000 0.444 681 V N 1.708 121.568 119.914 -0.090 0.000 2.358 681 V HA -0.213 4.129 4.120 0.369 0.000 0.246 681 V C 2.136 178.226 176.094 -0.006 0.000 1.047 681 V CA 1.520 63.832 62.300 0.020 0.000 1.035 681 V CB -0.372 31.580 31.823 0.214 0.000 0.658 681 V HN 0.264 nan 8.190 nan 0.000 0.452 682 L N -1.139 119.974 121.223 -0.183 0.000 2.093 682 L HA -0.188 4.374 4.340 0.369 0.000 0.208 682 L C 2.519 179.297 176.870 -0.153 0.000 1.085 682 L CA 1.558 56.202 54.840 -0.327 0.000 0.755 682 L CB -0.487 40.970 42.059 -1.002 0.000 0.904 682 L HN 0.301 nan 8.230 nan 0.000 0.435 683 M N -0.343 119.178 119.600 -0.132 0.000 2.159 683 M HA -0.213 4.489 4.480 0.369 0.000 0.263 683 M C 2.339 178.652 176.300 0.022 0.000 1.063 683 M CA 1.524 56.801 55.300 -0.039 0.000 1.110 683 M CB -0.355 32.219 32.600 -0.042 0.000 1.374 683 M HN 0.046 nan 8.290 nan 0.000 0.411 684 K N 0.958 121.370 120.400 0.019 0.000 2.057 684 K HA -0.172 4.370 4.320 0.369 0.000 0.207 684 K C 1.760 178.410 176.600 0.083 0.000 1.049 684 K CA 1.756 58.070 56.287 0.044 0.000 0.931 684 K CB -0.243 32.282 32.500 0.043 0.000 0.714 684 K HN 0.371 nan 8.250 nan 0.000 0.440 685 Q N -0.788 119.093 119.800 0.135 0.000 2.084 685 Q HA -0.060 4.501 4.340 0.369 0.000 0.202 685 Q C 2.160 178.312 176.000 0.253 0.000 0.978 685 Q CA 1.637 57.571 55.803 0.218 0.000 0.844 685 Q CB -0.434 28.543 28.738 0.399 0.000 0.898 685 Q HN 0.557 nan 8.270 nan 0.000 0.426 686 G N 0.814 109.790 108.800 0.294 0.000 2.418 686 G HA2 -0.276 3.905 3.960 0.369 0.000 0.217 686 G HA3 -0.276 3.905 3.960 0.369 0.000 0.217 686 G C 1.029 176.015 174.900 0.144 0.000 1.158 686 G CA 0.841 46.114 45.100 0.289 0.000 0.771 686 G HN 0.326 nan 8.290 nan 0.000 0.545 687 E N 0.559 120.810 120.200 0.085 0.000 2.077 687 E HA -0.052 4.519 4.350 0.369 0.000 0.193 687 E C 2.912 179.506 176.600 -0.010 0.000 0.989 687 E CA 0.886 57.300 56.400 0.022 0.000 0.800 687 E CB -0.211 29.492 29.700 0.006 0.000 0.746 687 E HN 0.408 nan 8.360 nan 0.000 0.452 688 A N 0.987 123.816 122.820 0.015 0.000 1.902 688 A HA -0.157 4.384 4.320 0.369 0.000 0.217 688 A C 2.172 179.725 177.584 -0.052 0.000 1.181 688 A CA 1.095 53.124 52.037 -0.014 0.000 0.623 688 A CB -0.574 18.440 19.000 0.023 0.000 0.818 688 A HN 0.147 nan 8.150 nan 0.000 0.443 689 L N -0.832 120.392 121.223 0.002 0.000 2.156 689 L HA -0.112 4.449 4.340 0.369 0.000 0.208 689 L C 2.879 179.722 176.870 -0.046 0.000 1.095 689 L CA 1.225 56.060 54.840 -0.009 0.000 0.770 689 L CB -0.303 41.829 42.059 0.121 0.000 0.914 689 L HN 0.504 nan 8.230 nan 0.000 0.439 690 S N -0.283 115.409 115.700 -0.013 0.000 2.368 690 S HA -0.170 4.521 4.470 0.369 0.000 0.225 690 S C 2.136 176.669 174.600 -0.112 0.000 1.030 690 S CA 1.220 59.402 58.200 -0.031 0.000 0.999 690 S CB 0.032 63.222 63.200 -0.016 0.000 0.844 690 S HN 0.240 nan 8.310 nan 0.000 0.459 691 K N 0.981 121.270 120.400 -0.185 0.000 2.057 691 K HA 0.082 4.624 4.320 0.369 0.000 0.206 691 K C 2.166 178.662 176.600 -0.174 0.000 1.050 691 K CA 0.863 56.978 56.287 -0.287 0.000 0.935 691 K CB -0.807 31.427 32.500 -0.444 0.000 0.715 691 K HN 0.423 nan 8.250 nan 0.000 0.439 692 L N 1.117 122.164 121.223 -0.294 0.000 2.043 692 L HA -0.239 4.323 4.340 0.369 0.000 0.212 692 L C 2.539 179.046 176.870 -0.606 0.000 1.075 692 L CA 1.275 55.787 54.840 -0.546 0.000 0.752 692 L CB -0.534 40.943 42.059 -0.971 0.000 0.891 692 L HN 0.095 nan 8.230 nan 0.000 0.432 693 K N 0.740 120.860 120.400 -0.467 0.000 2.063 693 K HA -0.157 4.385 4.320 0.369 0.000 0.208 693 K C 1.992 178.622 176.600 0.049 0.000 1.048 693 K CA 1.837 58.102 56.287 -0.037 0.000 0.928 693 K CB -0.501 32.066 32.500 0.112 0.000 0.713 693 K HN 0.240 nan 8.250 nan 0.000 0.442 694 A N 0.555 123.392 122.820 0.029 0.000 1.877 694 A HA -0.105 4.437 4.320 0.369 0.000 0.216 694 A C 2.174 179.856 177.584 0.164 0.000 1.186 694 A CA 1.653 53.755 52.037 0.108 0.000 0.620 694 A CB -0.770 18.300 19.000 0.116 0.000 0.822 694 A HN 0.364 nan 8.150 nan 0.000 0.443 695 L N 0.281 121.597 121.223 0.155 0.000 2.093 695 L HA -0.127 4.434 4.340 0.369 0.000 0.208 695 L C 1.988 178.953 176.870 0.158 0.000 1.085 695 L CA 2.266 57.191 54.840 0.142 0.000 0.755 695 L CB -0.787 41.343 42.059 0.118 0.000 0.904 695 L HN 0.410 nan 8.230 nan 0.000 0.435 696 N N -0.016 118.760 118.700 0.128 0.000 2.084 696 N HA -0.198 4.763 4.740 0.369 0.000 0.190 696 N C 1.480 177.076 175.510 0.143 0.000 1.030 696 N CA 1.620 54.779 53.050 0.180 0.000 0.849 696 N CB -0.216 38.474 38.487 0.339 0.000 1.012 696 N HN 0.388 nan 8.380 nan 0.000 0.423 697 D N -0.181 120.306 120.400 0.145 0.000 2.123 697 D HA -0.169 4.692 4.640 0.369 0.000 0.196 697 D C 1.728 178.071 176.300 0.071 0.000 0.992 697 D CA 0.577 54.636 54.000 0.098 0.000 0.833 697 D CB -0.560 40.300 40.800 0.100 0.000 0.954 697 D HN 0.331 nan 8.370 nan 0.000 0.455 698 F N 1.600 121.542 119.950 -0.014 0.000 2.069 698 F HA -0.266 4.239 4.527 -0.037 0.000 0.298 698 F C 2.246 177.987 175.800 -0.098 0.000 1.113 698 F CA 1.305 59.278 58.000 -0.045 0.000 1.214 698 F CB -0.364 38.609 39.000 -0.045 0.000 0.978 698 F HN -0.207 nan 8.300 nan 0.000 0.474 699 V N 0.987 120.922 119.914 0.035 0.000 2.287 699 V HA -0.355 3.987 4.120 0.369 0.000 0.248 699 V C 2.391 178.277 176.094 -0.347 0.000 1.053 699 V CA 2.442 64.605 62.300 -0.228 0.000 1.027 699 V CB -0.811 30.869 31.823 -0.238 0.000 0.646 699 V HN 0.332 nan 8.190 nan 0.000 0.447 700 K N -0.439 119.845 120.400 -0.192 0.000 2.063 700 K HA -0.165 4.377 4.320 0.369 0.000 0.208 700 K C 2.033 178.529 176.600 -0.174 0.000 1.048 700 K CA 1.573 57.774 56.287 -0.144 0.000 0.928 700 K CB -0.417 32.051 32.500 -0.055 0.000 0.713 700 K HN 0.356 nan 8.250 nan 0.000 0.442 701 V N 0.557 120.339 119.914 -0.220 0.000 2.244 701 V HA -0.247 4.094 4.120 0.369 0.000 0.244 701 V C 2.395 178.305 176.094 -0.308 0.000 1.042 701 V CA 2.013 64.173 62.300 -0.234 0.000 1.006 701 V CB -0.472 31.206 31.823 -0.241 0.000 0.641 701 V HN 0.378 nan 8.190 nan 0.000 0.446 702 S N 0.992 116.385 115.700 -0.513 0.000 2.374 702 S HA -0.235 4.457 4.470 0.369 0.000 0.227 702 S C 2.110 176.549 174.600 -0.270 0.000 1.037 702 S CA 2.352 60.256 58.200 -0.493 0.000 1.024 702 S CB -0.477 62.288 63.200 -0.725 0.000 0.861 702 S HN 0.809 nan 8.310 nan 0.000 0.456 703 S N 0.067 115.611 115.700 -0.260 0.000 2.555 703 S HA 0.078 4.769 4.470 0.369 0.000 0.230 703 S C 1.540 176.094 174.600 -0.076 0.000 0.978 703 S CA 0.384 58.501 58.200 -0.139 0.000 0.934 703 S CB -0.376 62.730 63.200 -0.157 0.000 0.766 703 S HN 0.687 nan 8.310 nan 0.000 0.533 704 Q N 0.257 119.997 119.800 -0.099 0.000 2.425 704 Q HA 0.212 4.774 4.340 0.369 0.000 0.204 704 Q C 1.037 177.003 176.000 -0.057 0.000 0.933 704 Q CA 0.552 56.317 55.803 -0.063 0.000 0.939 704 Q CB 0.107 28.806 28.738 -0.064 0.000 1.044 704 Q HN 0.477 nan 8.270 nan 0.000 0.513 705 K N -1.096 119.260 120.400 -0.074 0.000 2.402 705 K HA 0.189 4.730 4.320 0.369 0.000 0.204 705 K C -0.130 176.444 176.600 -0.044 0.000 1.056 705 K CA 0.154 56.406 56.287 -0.059 0.000 1.069 705 K CB 1.668 34.124 32.500 -0.074 0.000 0.888 705 K HN -0.119 nan 8.250 nan 0.000 0.546 706 T N -0.610 113.921 114.554 -0.038 0.000 2.739 706 T HA 0.200 4.772 4.350 0.369 0.000 0.303 706 T C -1.314 173.389 174.700 0.004 0.000 1.389 706 T CA -0.697 61.391 62.100 -0.020 0.000 1.001 706 T CB 1.129 69.980 68.868 -0.028 0.000 1.436 706 T HN 0.167 nan 8.240 nan 0.000 0.500 707 T N 0.253 114.816 114.554 0.015 0.000 2.868 707 T HA 0.337 4.908 4.350 0.369 0.000 0.292 707 T C 1.362 176.104 174.700 0.070 0.000 1.028 707 T CA -0.201 61.918 62.100 0.032 0.000 1.059 707 T CB 0.943 69.821 68.868 0.016 0.000 0.991 707 T HN 0.766 nan 8.240 nan 0.000 0.531 708 K N 1.669 122.125 120.400 0.094 0.000 2.044 708 K HA -0.083 4.458 4.320 0.369 0.000 0.210 708 K C -0.866 175.797 176.600 0.105 0.000 1.049 708 K CA 1.575 57.958 56.287 0.160 0.000 0.927 708 K CB -1.261 31.254 32.500 0.024 0.000 0.713 708 K HN 0.462 nan 8.250 nan 0.000 0.443 709 P HA -0.187 nan 4.420 nan 0.000 0.214 709 P C 0.950 178.262 177.300 0.020 0.000 1.163 709 P CA 1.578 64.680 63.100 0.005 0.000 0.889 709 P CB -0.043 31.654 31.700 -0.005 0.000 0.790 710 Q N -1.247 118.573 119.800 0.032 0.000 2.096 710 Q HA -0.139 4.423 4.340 0.369 0.000 0.204 710 Q C 2.109 178.143 176.000 0.057 0.000 0.982 710 Q CA 2.095 57.919 55.803 0.034 0.000 0.850 710 Q CB -0.856 27.898 28.738 0.026 0.000 0.901 710 Q HN 0.262 nan 8.270 nan 0.000 0.422 711 T N 0.694 115.302 114.554 0.090 0.000 2.821 711 T HA -0.130 4.441 4.350 0.369 0.000 0.267 711 T C 1.647 176.433 174.700 0.144 0.000 1.046 711 T CA 1.113 63.273 62.100 0.100 0.000 1.139 711 T CB -0.051 68.830 68.868 0.022 0.000 0.871 711 T HN 0.223 nan 8.240 nan 0.000 0.454 712 K N 1.086 121.577 120.400 0.152 0.000 2.001 712 K HA -0.116 4.426 4.320 0.369 0.000 0.208 712 K C 2.352 178.786 176.600 -0.278 0.000 1.048 712 K CA 1.425 57.708 56.287 -0.006 0.000 0.932 712 K CB -0.117 32.344 32.500 -0.065 0.000 0.715 712 K HN 0.332 nan 8.250 nan 0.000 0.437 713 E N -0.133 119.972 120.200 -0.158 0.000 2.130 713 E HA -0.213 4.359 4.350 0.369 0.000 0.196 713 E C 1.982 178.576 176.600 -0.010 0.000 0.998 713 E CA 1.298 57.644 56.400 -0.089 0.000 0.806 713 E CB 0.095 29.786 29.700 -0.015 0.000 0.738 713 E HN 0.274 nan 8.360 nan 0.000 0.459 714 M N -0.023 119.603 119.600 0.043 0.000 2.132 714 M HA -0.136 4.565 4.480 0.369 0.000 0.263 714 M C 2.376 178.627 176.300 -0.081 0.000 1.065 714 M CA 1.258 56.603 55.300 0.075 0.000 1.122 714 M CB -0.897 31.914 32.600 0.352 0.000 1.365 714 M HN 0.323 nan 8.290 nan 0.000 0.411 715 M N -0.542 119.062 119.600 0.006 0.000 2.108 715 M HA -0.254 4.448 4.480 0.369 0.000 0.261 715 M C 2.092 178.377 176.300 -0.025 0.000 1.066 715 M CA 1.846 57.110 55.300 -0.060 0.000 1.107 715 M CB -0.423 32.230 32.600 0.088 0.000 1.356 715 M HN 0.319 nan 8.290 nan 0.000 0.406 716 H N -0.312 118.715 119.070 -0.073 0.000 2.353 716 H HA -0.149 4.630 4.556 0.371 0.000 0.300 716 H C 2.149 177.397 175.328 -0.133 0.000 1.090 716 H CA 1.772 57.773 56.048 -0.078 0.000 1.327 716 H CB -0.099 29.647 29.762 -0.028 0.000 1.383 716 H HN 0.485 nan 8.280 nan 0.000 0.508 717 M N -0.277 119.312 119.600 -0.018 0.000 2.099 717 M HA -0.193 4.508 4.480 0.369 0.000 0.262 717 M C 2.869 179.038 176.300 -0.219 0.000 1.067 717 M CA 0.905 56.146 55.300 -0.097 0.000 1.124 717 M CB -0.534 32.014 32.600 -0.086 0.000 1.353 717 M HN 0.365 nan 8.290 nan 0.000 0.410 718 C N 1.440 120.517 119.300 -0.372 0.000 2.385 718 C HA -0.212 4.470 4.460 0.369 0.000 0.275 718 C C 2.801 177.403 174.990 -0.646 0.000 1.207 718 C CA 1.341 59.996 59.018 -0.605 0.000 1.760 718 C CB -0.755 26.465 27.740 -0.866 0.000 2.051 718 C HN 0.547 nan 8.230 nan 0.000 0.467 719 M N -0.436 118.906 119.600 -0.429 0.000 2.279 719 M HA -0.101 4.600 4.480 0.369 0.000 0.264 719 M C 2.291 178.502 176.300 -0.148 0.000 1.062 719 M CA 1.452 56.587 55.300 -0.274 0.000 1.099 719 M CB -0.486 32.039 32.600 -0.125 0.000 1.394 719 M HN 0.394 nan 8.290 nan 0.000 0.426 720 R N 0.167 120.580 120.500 -0.145 0.000 2.307 720 R HA 0.038 4.599 4.340 0.369 0.000 0.199 720 R C 0.309 176.579 176.300 -0.050 0.000 1.000 720 R CA 0.192 56.243 56.100 -0.081 0.000 1.023 720 R CB -0.072 30.186 30.300 -0.071 0.000 0.908 720 R HN 0.537 nan 8.270 nan 0.000 0.473 721 Q N 0.646 120.405 119.800 -0.068 0.000 2.361 721 Q HA -0.066 4.496 4.340 0.369 0.000 0.276 721 Q C 0.661 176.703 176.000 0.069 0.000 1.022 721 Q CA 0.201 56.006 55.803 0.002 0.000 0.898 721 Q CB 0.772 29.523 28.738 0.021 0.000 1.246 721 Q HN 0.198 nan 8.270 nan 0.000 0.410 722 E N 0.657 120.891 120.200 0.056 0.000 2.097 722 E HA -0.247 4.324 4.350 0.369 0.000 0.196 722 E C 1.914 178.559 176.600 0.076 0.000 1.000 722 E CA 1.974 58.407 56.400 0.056 0.000 0.804 722 E CB -0.011 29.712 29.700 0.039 0.000 0.740 722 E HN 0.823 nan 8.360 nan 0.000 0.454 723 T N -1.440 113.170 114.554 0.093 0.000 2.833 723 T HA -0.194 4.377 4.350 0.369 0.000 0.269 723 T C 1.682 176.404 174.700 0.036 0.000 1.054 723 T CA 1.101 63.233 62.100 0.054 0.000 1.135 723 T CB -0.386 68.503 68.868 0.034 0.000 0.869 723 T HN 0.154 nan 8.240 nan 0.000 0.466 724 Y N 0.586 120.869 120.300 -0.028 0.000 2.269 724 Y HA 0.262 5.048 4.550 0.393 0.000 0.294 724 Y C 2.797 178.677 175.900 -0.033 0.000 1.120 724 Y CA 0.519 58.596 58.100 -0.038 0.000 1.159 724 Y CB -0.285 38.139 38.460 -0.060 0.000 1.024 724 Y HN 0.041 nan 8.280 nan 0.000 0.532 725 M N -0.050 119.629 119.600 0.132 0.000 2.108 725 M HA -0.237 4.465 4.480 0.369 0.000 0.261 725 M C 2.093 178.419 176.300 0.043 0.000 1.066 725 M CA 1.576 56.909 55.300 0.055 0.000 1.107 725 M CB -0.929 31.692 32.600 0.034 0.000 1.356 725 M HN 0.347 nan 8.290 nan 0.000 0.406 726 E N -0.111 120.121 120.200 0.053 0.000 2.047 726 E HA -0.095 4.477 4.350 0.369 0.000 0.191 726 E C 1.961 178.584 176.600 0.039 0.000 0.987 726 E CA 1.268 57.701 56.400 0.055 0.000 0.799 726 E CB 0.143 29.873 29.700 0.049 0.000 0.752 726 E HN 0.433 nan 8.360 nan 0.000 0.449 727 A N 0.820 123.643 122.820 0.004 0.000 1.969 727 A HA -0.094 4.448 4.320 0.369 0.000 0.218 727 A C 2.106 179.693 177.584 0.005 0.000 1.169 727 A CA 0.881 52.904 52.037 -0.023 0.000 0.635 727 A CB -0.346 18.589 19.000 -0.109 0.000 0.810 727 A HN 0.232 nan 8.150 nan 0.000 0.445 728 L N -0.467 120.772 121.223 0.027 0.000 2.567 728 L HA 0.114 4.676 4.340 0.369 0.000 0.225 728 L C 0.294 177.238 176.870 0.125 0.000 1.119 728 L CA -0.154 54.731 54.840 0.075 0.000 0.871 728 L CB 0.101 42.206 42.059 0.076 0.000 1.036 728 L HN 0.149 nan 8.230 nan 0.000 0.459 729 S N -1.431 114.284 115.700 0.026 0.000 2.638 729 S HA 0.417 5.108 4.470 0.369 0.000 0.298 729 S C -0.343 174.178 174.600 -0.132 0.000 1.111 729 S CA -0.497 57.626 58.200 -0.127 0.000 1.027 729 S CB 0.838 63.812 63.200 -0.377 0.000 1.064 729 S HN 0.278 nan 8.310 nan 0.000 0.525 730 H N 0.042 119.142 119.070 0.050 0.000 2.827 730 H HA -0.133 4.646 4.556 0.371 0.000 0.330 730 H C -0.725 174.598 175.328 -0.008 0.000 1.236 730 H CA 0.685 56.739 56.048 0.011 0.000 1.165 730 H CB -2.243 27.536 29.762 0.029 0.000 1.532 730 H HN 0.597 nan 8.280 nan 0.000 0.434 731 L N -2.356 118.870 121.223 0.005 0.000 2.350 731 L HA 0.632 5.194 4.340 0.369 0.000 0.260 731 L C 0.192 177.022 176.870 -0.067 0.000 1.015 731 L CA -1.275 53.561 54.840 -0.006 0.000 0.821 731 L CB 2.105 44.162 42.059 -0.004 0.000 1.370 731 L HN 0.000 nan 8.230 nan 0.000 0.416 732 Q N 1.345 121.139 119.800 -0.011 0.000 2.314 732 Q HA 0.227 4.789 4.340 0.369 0.000 0.258 732 Q C -0.105 175.876 176.000 -0.032 0.000 0.954 732 Q CA -0.210 55.572 55.803 -0.035 0.000 0.890 732 Q CB 1.470 30.239 28.738 0.051 0.000 1.210 732 Q HN 0.717 nan 8.270 nan 0.000 0.410 733 S N 3.199 118.844 115.700 -0.091 0.000 2.510 733 S HA 0.109 4.801 4.470 0.369 0.000 0.279 733 S C -1.724 172.873 174.600 -0.004 0.000 1.284 733 S CA -1.419 56.733 58.200 -0.080 0.000 1.059 733 S CB 0.529 63.670 63.200 -0.098 0.000 0.901 733 S HN 0.382 nan 8.310 nan 0.000 0.491 734 P HA -0.045 nan 4.420 nan 0.000 0.221 734 P C 1.084 178.406 177.300 0.038 0.000 1.145 734 P CA 0.926 64.008 63.100 -0.030 0.000 0.795 734 P CB 0.049 31.454 31.700 -0.492 0.000 0.775 735 L N -1.606 119.645 121.223 0.046 0.000 2.291 735 L HA 0.015 4.576 4.340 0.369 0.000 0.214 735 L C 0.523 177.571 176.870 0.297 0.000 1.120 735 L CA 0.920 55.864 54.840 0.173 0.000 0.799 735 L CB -0.224 41.901 42.059 0.111 0.000 0.925 735 L HN -0.003 nan 8.230 nan 0.000 0.446 736 D N -1.522 118.954 120.400 0.126 0.000 2.251 736 D HA 0.069 4.930 4.640 0.369 0.000 0.210 736 D C -2.228 174.005 176.300 -0.110 0.000 1.304 736 D CA -1.155 52.910 54.000 0.109 0.000 0.912 736 D CB 1.251 42.115 40.800 0.107 0.000 1.553 736 D HN -0.273 nan 8.370 nan 0.000 0.526 737 P HA -0.104 nan 4.420 nan 0.000 0.228 737 P C 1.015 178.262 177.300 -0.088 0.000 1.151 737 P CA 0.722 63.622 63.100 -0.333 0.000 0.770 737 P CB 0.125 31.488 31.700 -0.561 0.000 0.786 738 S N -2.429 113.252 115.700 -0.032 0.000 2.562 738 S HA 0.030 4.722 4.470 0.369 0.000 0.221 738 S C 0.915 175.486 174.600 -0.048 0.000 0.975 738 S CA 0.095 58.322 58.200 0.046 0.000 0.918 738 S CB -1.238 62.005 63.200 0.073 0.000 0.772 738 S HN 0.007 nan 8.310 nan 0.000 0.531 739 T N 3.771 118.278 114.554 -0.079 0.000 2.728 739 T HA 0.448 5.020 4.350 0.369 0.000 0.296 739 T C -0.240 174.357 174.700 -0.172 0.000 0.940 739 T CA -0.418 61.617 62.100 -0.108 0.000 1.013 739 T CB 0.549 69.374 68.868 -0.073 0.000 0.912 739 T HN 0.283 nan 8.240 nan 0.000 0.484 740 L N 4.739 125.838 121.223 -0.207 0.000 2.281 740 L HA 0.397 4.958 4.340 0.369 0.000 0.285 740 L C 0.064 176.800 176.870 -0.223 0.000 1.074 740 L CA -0.640 54.063 54.840 -0.228 0.000 0.817 740 L CB 0.408 42.322 42.059 -0.242 0.000 1.168 740 L HN 0.427 nan 8.230 nan 0.000 0.434 741 L N 4.317 125.348 121.223 -0.321 0.000 2.282 741 L HA 0.226 4.787 4.340 0.369 0.000 0.287 741 L C 0.886 177.551 176.870 -0.343 0.000 1.075 741 L CA -0.340 54.135 54.840 -0.609 0.000 0.839 741 L CB 0.600 41.973 42.059 -1.144 0.000 1.219 741 L HN 0.672 nan 8.230 nan 0.000 0.434 742 E N 2.816 122.960 120.200 -0.094 0.000 2.226 742 E HA 0.051 4.623 4.350 0.369 0.000 0.238 742 E C 0.211 176.771 176.600 -0.067 0.000 0.859 742 E CA 0.334 56.752 56.400 0.030 0.000 1.114 742 E CB 0.168 29.938 29.700 0.118 0.000 1.184 742 E HN 0.531 nan 8.360 nan 0.000 0.517 743 E N 2.105 122.328 120.200 0.038 0.000 2.174 743 E HA 0.239 4.811 4.350 0.369 0.000 0.282 743 E C -0.006 176.605 176.600 0.018 0.000 0.992 743 E CA -0.455 55.927 56.400 -0.030 0.000 0.803 743 E CB 1.899 31.594 29.700 -0.009 0.000 1.090 743 E HN -0.044 nan 8.360 nan 0.000 0.396 744 V N 3.208 123.051 119.914 -0.117 0.000 2.585 744 V HA -0.033 4.308 4.120 0.369 0.000 0.296 744 V C -0.362 175.568 176.094 -0.273 0.000 1.035 744 V CA -0.485 61.542 62.300 -0.455 0.000 1.084 744 V CB 0.075 31.631 31.823 -0.446 0.000 0.953 744 V HN 0.839 nan 8.190 nan 0.000 0.483 745 C N 7.336 126.473 119.300 -0.272 0.000 2.252 745 C HA 0.229 4.910 4.460 0.369 0.000 0.342 745 C C 1.774 176.646 174.990 -0.198 0.000 1.110 745 C CA -0.802 58.114 59.018 -0.170 0.000 1.581 745 C CB -1.033 26.646 27.740 -0.102 0.000 2.087 745 C HN 0.846 nan 8.230 nan 0.000 0.500 746 V N 2.561 122.337 119.914 -0.231 0.000 2.324 746 V HA -0.194 4.147 4.120 0.369 0.000 0.250 746 V C 2.504 178.248 176.094 -0.582 0.000 1.060 746 V CA 1.837 63.924 62.300 -0.354 0.000 1.042 746 V CB -0.311 31.303 31.823 -0.349 0.000 0.650 746 V HN 0.766 nan 8.190 nan 0.000 0.450 747 E N -0.363 119.612 120.200 -0.376 0.000 2.204 747 E HA -0.189 4.383 4.350 0.369 0.000 0.194 747 E C 2.246 178.816 176.600 -0.049 0.000 0.989 747 E CA 0.979 57.218 56.400 -0.268 0.000 0.824 747 E CB -0.097 29.545 29.700 -0.096 0.000 0.756 747 E HN 0.665 nan 8.360 nan 0.000 0.477 748 Q N -0.671 119.112 119.800 -0.028 0.000 2.398 748 Q HA 0.028 4.589 4.340 0.369 0.000 0.204 748 Q C 0.607 176.731 176.000 0.207 0.000 0.932 748 Q CA 0.010 55.868 55.803 0.091 0.000 0.916 748 Q CB 0.454 29.241 28.738 0.083 0.000 1.024 748 Q HN 0.192 nan 8.270 nan 0.000 0.504 749 C N 0.468 119.878 119.300 0.184 0.000 2.657 749 C HA 0.434 5.115 4.460 0.369 0.000 0.404 749 C C 1.013 176.241 174.990 0.397 0.000 1.291 749 C CA -0.216 58.980 59.018 0.298 0.000 2.218 749 C CB 0.832 28.672 27.740 0.168 0.000 2.687 749 C HN 0.356 nan 8.230 nan 0.000 0.634 750 T N -0.002 114.774 114.554 0.371 0.000 2.627 750 T HA 0.713 5.284 4.350 0.369 0.000 0.294 750 T C -1.826 173.087 174.700 0.355 0.000 1.230 750 T CA -0.410 61.837 62.100 0.245 0.000 1.084 750 T CB 0.618 69.472 68.868 -0.024 0.000 1.693 750 T HN 0.890 nan 8.240 nan 0.000 0.465 751 F N 0.165 120.176 119.950 0.102 0.000 2.631 751 F HA 0.833 5.589 4.527 0.381 0.000 0.308 751 F C -0.927 174.912 175.800 0.064 0.000 1.097 751 F CA -1.349 56.726 58.000 0.126 0.000 0.952 751 F CB 1.268 40.335 39.000 0.112 0.000 1.307 751 F HN 0.525 nan 8.300 nan 0.000 0.450 752 M N 2.455 122.130 119.600 0.125 0.000 2.274 752 M HA 0.228 4.929 4.480 0.369 0.000 0.344 752 M C -0.117 176.224 176.300 0.069 0.000 1.161 752 M CA -0.408 54.889 55.300 -0.005 0.000 1.126 752 M CB 0.905 33.554 32.600 0.081 0.000 1.522 752 M HN 0.656 nan 8.290 nan 0.000 0.461 753 D N 0.572 120.954 120.400 -0.029 0.000 2.706 753 D HA 0.054 4.915 4.640 0.369 0.000 0.236 753 D C -0.521 175.817 176.300 0.064 0.000 1.231 753 D CA -0.053 53.977 54.000 0.050 0.000 0.828 753 D CB -0.239 40.542 40.800 -0.032 0.000 1.015 753 D HN 0.448 nan 8.370 nan 0.000 0.484 754 S N 0.149 115.895 115.700 0.075 0.000 2.601 754 S HA 0.307 4.998 4.470 0.369 0.000 0.312 754 S C 0.855 175.496 174.600 0.068 0.000 1.107 754 S CA -0.714 57.518 58.200 0.054 0.000 1.129 754 S CB 2.563 65.786 63.200 0.038 0.000 0.982 754 S HN -0.062 nan 8.310 nan 0.000 0.469 755 K N 1.108 121.543 120.400 0.058 0.000 11.197 755 K HA -0.233 4.309 4.320 0.369 0.000 0.525 755 K C 1.142 177.775 176.600 0.055 0.000 0.404 755 K CA 2.483 58.799 56.287 0.048 0.000 1.896 755 K CB -1.457 31.064 32.500 0.036 0.000 0.797 755 K HN 0.665 nan 8.250 nan 0.000 1.255 756 M N 1.272 120.907 119.600 0.057 0.000 2.659 756 M HA 0.025 4.726 4.480 0.369 0.000 0.243 756 M C 0.075 176.427 176.300 0.087 0.000 1.111 756 M CA 0.702 56.034 55.300 0.054 0.000 1.070 756 M CB -0.756 31.863 32.600 0.033 0.000 1.525 756 M HN 0.230 nan 8.290 nan 0.000 0.517 757 K N -0.629 119.846 120.400 0.126 0.000 3.419 757 K HA -0.125 4.417 4.320 0.369 0.000 0.272 757 K C -2.622 174.122 176.600 0.239 0.000 0.973 757 K CA 0.125 56.539 56.287 0.211 0.000 0.749 757 K CB -2.013 30.566 32.500 0.131 0.000 1.403 757 K HN 0.221 nan 8.250 nan 0.000 0.456 758 P HA -0.055 nan 4.420 nan 0.000 0.266 758 P C -0.143 177.353 177.300 0.326 0.000 1.195 758 P CA -0.414 62.821 63.100 0.224 0.000 0.768 758 P CB 0.499 32.304 31.700 0.176 0.000 0.838 759 L N 4.196 125.637 121.223 0.363 0.000 2.349 759 L HA 0.276 4.837 4.340 0.369 0.000 0.275 759 L C -0.137 176.953 176.870 0.367 0.000 1.115 759 L CA -0.143 54.926 54.840 0.381 0.000 0.820 759 L CB -0.310 41.960 42.059 0.351 0.000 1.135 759 L HN 0.494 nan 8.230 nan 0.000 0.445 760 W N 6.698 128.100 121.300 0.171 0.000 2.278 760 W HA 0.380 5.259 4.660 0.364 0.000 0.317 760 W C -1.499 175.073 176.519 0.088 0.000 1.030 760 W CA -0.697 56.717 57.345 0.114 0.000 1.334 760 W CB 1.179 30.683 29.460 0.074 0.000 1.215 760 W HN 0.210 nan 8.180 nan 0.000 0.405 761 I N 7.850 128.363 120.570 -0.094 0.000 2.382 761 I HA 0.253 4.645 4.170 0.369 0.000 0.286 761 I C 0.175 176.155 176.117 -0.228 0.000 1.002 761 I CA -0.992 60.248 61.300 -0.099 0.000 1.135 761 I CB 1.242 39.225 38.000 -0.028 0.000 1.288 761 I HN 0.247 nan 8.210 nan 0.000 0.448 762 M N 5.824 125.287 119.600 -0.228 0.000 2.444 762 M HA 0.485 5.187 4.480 0.369 0.000 0.319 762 M C -0.817 175.224 176.300 -0.432 0.000 1.183 762 M CA -0.477 54.709 55.300 -0.190 0.000 1.032 762 M CB 1.447 34.029 32.600 -0.029 0.000 1.569 762 M HN 0.317 nan 8.290 nan 0.000 0.468 763 Y N -0.823 119.444 120.300 -0.054 0.000 2.609 763 Y HA 0.584 5.358 4.550 0.373 0.000 0.342 763 Y C 0.071 175.950 175.900 -0.035 0.000 1.058 763 Y CA -0.632 57.438 58.100 -0.051 0.000 1.055 763 Y CB 2.173 40.595 38.460 -0.062 0.000 1.292 763 Y HN 0.740 nan 8.280 nan 0.000 0.476 764 S N 0.057 115.848 115.700 0.152 0.000 2.618 764 S HA 0.836 5.527 4.470 0.369 0.000 0.277 764 S C -1.191 173.457 174.600 0.080 0.000 1.138 764 S CA -0.775 57.477 58.200 0.087 0.000 0.844 764 S CB 1.896 65.123 63.200 0.046 0.000 1.127 764 S HN 0.765 nan 8.310 nan 0.000 0.474 765 S N 0.036 115.767 115.700 0.051 0.000 2.614 765 S HA 0.383 5.075 4.470 0.369 0.000 0.275 765 S C 0.256 174.872 174.600 0.027 0.000 1.161 765 S CA -0.548 57.678 58.200 0.044 0.000 0.969 765 S CB 1.465 64.681 63.200 0.027 0.000 1.059 765 S HN 0.770 nan 8.310 nan 0.000 0.482 766 E N 2.378 122.596 120.200 0.031 0.000 2.058 766 E HA -0.189 4.382 4.350 0.369 0.000 0.194 766 E C 1.465 178.070 176.600 0.009 0.000 0.997 766 E CA 1.675 58.086 56.400 0.019 0.000 0.801 766 E CB -0.037 29.677 29.700 0.024 0.000 0.746 766 E HN 0.754 nan 8.360 nan 0.000 0.450 767 E N 0.298 120.504 120.200 0.011 0.000 2.204 767 E HA -0.093 4.479 4.350 0.369 0.000 0.194 767 E C 1.574 178.165 176.600 -0.014 0.000 0.989 767 E CA 1.251 57.651 56.400 0.001 0.000 0.824 767 E CB -0.088 29.613 29.700 0.001 0.000 0.756 767 E HN 0.254 nan 8.360 nan 0.000 0.477 768 A N -0.527 122.281 122.820 -0.020 0.000 2.147 768 A HA 0.455 4.997 4.320 0.369 0.000 0.211 768 A C 1.540 179.101 177.584 -0.040 0.000 1.160 768 A CA 0.960 52.975 52.037 -0.037 0.000 0.781 768 A CB -0.636 18.339 19.000 -0.041 0.000 0.842 768 A HN 0.422 nan 8.150 nan 0.000 0.475 769 G N -0.361 108.419 108.800 -0.034 0.000 2.574 769 G HA2 -0.354 3.828 3.960 0.369 0.000 0.286 769 G HA3 -0.354 3.828 3.960 0.369 0.000 0.286 769 G C 1.174 176.058 174.900 -0.028 0.000 1.212 769 G CA 0.608 45.679 45.100 -0.049 0.000 0.979 769 G HN 0.709 nan 8.290 nan 0.000 0.557 770 S N 0.296 115.974 115.700 -0.037 0.000 2.380 770 S HA -0.107 4.584 4.470 0.369 0.000 0.229 770 S C 2.751 177.370 174.600 0.031 0.000 1.043 770 S CA 2.662 60.866 58.200 0.008 0.000 1.038 770 S CB -0.636 62.568 63.200 0.006 0.000 0.872 770 S HN 1.729 nan 8.310 nan 0.000 0.456 771 A N 0.849 123.680 122.820 0.019 0.000 2.119 771 A HA 0.236 4.778 4.320 0.369 0.000 0.217 771 A C 2.144 179.738 177.584 0.016 0.000 1.153 771 A CA 1.216 53.277 52.037 0.039 0.000 0.692 771 A CB -0.808 18.225 19.000 0.056 0.000 0.799 771 A HN 0.519 nan 8.150 nan 0.000 0.458 772 G N -0.327 108.476 108.800 0.006 0.000 2.572 772 G HA2 -0.061 4.120 3.960 0.369 0.000 0.216 772 G HA3 -0.061 4.120 3.960 0.369 0.000 0.216 772 G C 0.363 175.284 174.900 0.034 0.000 1.133 772 G CA -0.136 44.969 45.100 0.008 0.000 0.791 772 G HN 0.429 nan 8.290 nan 0.000 0.538 773 N N 0.886 119.611 118.700 0.042 0.000 2.439 773 N HA 0.375 5.337 4.740 0.369 0.000 0.243 773 N C -0.299 175.238 175.510 0.045 0.000 1.088 773 N CA 0.039 53.121 53.050 0.053 0.000 0.940 773 N CB 1.553 40.073 38.487 0.056 0.000 1.180 773 N HN 0.189 nan 8.380 nan 0.000 0.505 774 V N -1.217 118.729 119.914 0.053 0.000 3.114 774 V HA 1.014 5.355 4.120 0.369 0.000 0.308 774 V C 0.120 176.228 176.094 0.024 0.000 1.168 774 V CA -1.054 61.260 62.300 0.023 0.000 1.015 774 V CB 1.851 33.679 31.823 0.008 0.000 1.050 774 V HN 0.437 nan 8.190 nan 0.000 0.433 775 G N 1.626 110.383 108.800 -0.071 0.000 2.667 775 G HA2 0.799 4.981 3.960 0.369 0.000 0.298 775 G HA3 0.799 4.981 3.960 0.369 0.000 0.298 775 G C -1.182 173.602 174.900 -0.193 0.000 1.377 775 G CA -0.588 44.396 45.100 -0.194 0.000 0.964 775 G HN 1.619 nan 8.290 nan 0.000 0.493 776 I N -1.178 119.305 120.570 -0.145 0.000 2.646 776 I HA 0.757 5.149 4.170 0.369 0.000 0.299 776 I C -0.982 175.067 176.117 -0.114 0.000 1.036 776 I CA -1.430 59.819 61.300 -0.086 0.000 1.074 776 I CB 2.414 40.436 38.000 0.036 0.000 1.258 776 I HN 0.266 nan 8.210 nan 0.000 0.430 777 I N 4.386 124.933 120.570 -0.039 0.000 2.377 777 I HA 0.386 4.777 4.170 0.369 0.000 0.293 777 I C -1.007 175.202 176.117 0.153 0.000 0.987 777 I CA -0.505 60.832 61.300 0.061 0.000 1.185 777 I CB 1.814 39.859 38.000 0.074 0.000 1.341 777 I HN 0.501 nan 8.210 nan 0.000 0.455 778 F N 7.169 127.156 119.950 0.062 0.000 2.427 778 F HA 0.544 5.293 4.527 0.370 0.000 0.346 778 F C -0.329 175.518 175.800 0.078 0.000 1.120 778 F CA -0.475 57.561 58.000 0.059 0.000 1.033 778 F CB 0.872 39.911 39.000 0.065 0.000 1.126 778 F HN 0.303 nan 8.300 nan 0.000 0.462 779 K N 4.998 125.053 120.400 -0.575 0.000 2.471 779 K HA 0.378 4.919 4.320 0.369 0.000 0.252 779 K C -1.819 174.416 176.600 -0.608 0.000 0.938 779 K CA -0.789 55.264 56.287 -0.390 0.000 0.796 779 K CB 1.240 33.656 32.500 -0.140 0.000 1.161 779 K HN 0.720 nan 8.250 nan 0.000 0.425 780 N N 2.424 120.906 118.700 -0.364 0.000 2.399 780 N HA 0.518 5.479 4.740 0.369 0.000 0.284 780 N C 0.029 175.494 175.510 -0.074 0.000 1.025 780 N CA 0.502 53.417 53.050 -0.225 0.000 0.885 780 N CB 1.881 40.332 38.487 -0.061 0.000 1.339 780 N HN 0.718 nan 8.380 nan 0.000 0.487 781 G N 2.107 110.866 108.800 -0.068 0.000 2.480 781 G HA2 -0.156 4.026 3.960 0.369 0.000 0.193 781 G HA3 -0.156 4.026 3.960 0.369 0.000 0.193 781 G C -0.670 174.214 174.900 -0.026 0.000 1.004 781 G CA -0.384 44.698 45.100 -0.030 0.000 0.696 781 G HN 0.589 nan 8.290 nan 0.000 0.478 782 D N 0.696 121.073 120.400 -0.038 0.000 2.272 782 D HA 0.527 5.389 4.640 0.369 0.000 0.247 782 D C -1.054 175.231 176.300 -0.025 0.000 0.990 782 D CA -0.342 53.647 54.000 -0.019 0.000 0.931 782 D CB 1.681 42.474 40.800 -0.010 0.000 1.195 782 D HN 0.052 nan 8.370 nan 0.000 0.477 783 D N 1.014 121.409 120.400 -0.009 0.000 2.316 783 D HA 0.126 4.987 4.640 0.369 0.000 0.245 783 D C 0.553 176.852 176.300 -0.002 0.000 1.171 783 D CA -0.134 53.863 54.000 -0.005 0.000 0.856 783 D CB 0.808 41.606 40.800 -0.004 0.000 1.090 783 D HN 0.239 nan 8.370 nan 0.000 0.476 784 L N 3.687 124.911 121.223 0.002 0.000 2.592 784 L HA 0.183 4.744 4.340 0.369 0.000 0.227 784 L C 2.286 179.171 176.870 0.025 0.000 1.127 784 L CA -0.102 54.749 54.840 0.019 0.000 0.884 784 L CB 0.140 42.207 42.059 0.014 0.000 1.065 784 L HN 0.292 nan 8.230 nan 0.000 0.457 785 R N -0.017 120.490 120.500 0.011 0.000 2.081 785 R HA -0.237 4.324 4.340 0.369 0.000 0.235 785 R C 2.116 178.396 176.300 -0.034 0.000 1.131 785 R CA 1.679 57.781 56.100 0.003 0.000 0.960 785 R CB -0.216 30.082 30.300 -0.004 0.000 0.856 785 R HN 0.284 nan 8.270 nan 0.000 0.436 786 Q N 1.444 121.197 119.800 -0.079 0.000 1.956 786 Q HA -0.237 4.324 4.340 0.369 0.000 0.208 786 Q C 1.222 177.171 176.000 -0.084 0.000 0.998 786 Q CA 2.511 58.204 55.803 -0.182 0.000 0.855 786 Q CB -0.245 28.360 28.738 -0.221 0.000 0.928 786 Q HN 0.244 nan 8.270 nan 0.000 0.418 787 D N -0.260 120.167 120.400 0.045 0.000 2.172 787 D HA -0.225 4.636 4.640 0.369 0.000 0.196 787 D C 1.776 178.151 176.300 0.126 0.000 0.999 787 D CA 1.752 55.875 54.000 0.204 0.000 0.856 787 D CB -0.200 40.754 40.800 0.257 0.000 0.934 787 D HN 0.442 nan 8.370 nan 0.000 0.453 788 M N -0.213 119.423 119.600 0.061 0.000 2.132 788 M HA -0.102 4.600 4.480 0.369 0.000 0.263 788 M C 1.838 178.130 176.300 -0.012 0.000 1.065 788 M CA 1.022 56.343 55.300 0.034 0.000 1.122 788 M CB 0.023 32.653 32.600 0.051 0.000 1.365 788 M HN 0.110 nan 8.290 nan 0.000 0.411 789 L N 0.495 121.703 121.223 -0.025 0.000 1.989 789 L HA -0.171 4.390 4.340 0.369 0.000 0.211 789 L C 2.166 179.032 176.870 -0.007 0.000 1.071 789 L CA 2.409 57.227 54.840 -0.036 0.000 0.749 789 L CB -1.303 40.756 42.059 -0.000 0.000 0.890 789 L HN 0.360 nan 8.230 nan 0.000 0.431 790 T N -0.015 114.535 114.554 -0.008 0.000 2.665 790 T HA -0.228 4.343 4.350 0.369 0.000 0.268 790 T C 1.997 176.586 174.700 -0.185 0.000 1.035 790 T CA 2.037 64.066 62.100 -0.119 0.000 1.151 790 T CB -0.427 68.160 68.868 -0.467 0.000 0.862 790 T HN 0.300 nan 8.240 nan 0.000 0.438 791 L N 0.640 121.791 121.223 -0.121 0.000 2.046 791 L HA -0.143 4.418 4.340 0.369 0.000 0.208 791 L C 2.954 179.776 176.870 -0.079 0.000 1.077 791 L CA 1.402 56.197 54.840 -0.075 0.000 0.747 791 L CB -0.523 41.484 42.059 -0.086 0.000 0.896 791 L HN 0.309 nan 8.230 nan 0.000 0.432 792 Q N -1.057 118.692 119.800 -0.085 0.000 2.167 792 Q HA -0.175 4.386 4.340 0.369 0.000 0.202 792 Q C 2.255 178.204 176.000 -0.085 0.000 0.970 792 Q CA 1.109 56.843 55.803 -0.115 0.000 0.855 792 Q CB -0.027 28.618 28.738 -0.154 0.000 0.911 792 Q HN 0.473 nan 8.270 nan 0.000 0.438 793 M N -0.176 119.407 119.600 -0.029 0.000 2.288 793 M HA -0.050 4.651 4.480 0.369 0.000 0.266 793 M C 2.073 178.400 176.300 0.045 0.000 1.072 793 M CA 1.118 56.463 55.300 0.075 0.000 1.132 793 M CB -0.429 32.297 32.600 0.211 0.000 1.386 793 M HN 0.223 nan 8.290 nan 0.000 0.432 794 I N -0.080 120.477 120.570 -0.021 0.000 2.315 794 I HA -0.302 4.090 4.170 0.369 0.000 0.248 794 I C 2.585 178.649 176.117 -0.089 0.000 1.117 794 I CA 1.055 62.320 61.300 -0.058 0.000 1.404 794 I CB -0.361 37.646 38.000 0.012 0.000 1.071 794 I HN 0.355 nan 8.210 nan 0.000 0.419 795 Q N 1.111 120.872 119.800 -0.064 0.000 2.084 795 Q HA -0.256 4.305 4.340 0.369 0.000 0.202 795 Q C 2.234 178.162 176.000 -0.119 0.000 0.978 795 Q CA 1.770 57.530 55.803 -0.072 0.000 0.844 795 Q CB -0.179 28.514 28.738 -0.075 0.000 0.898 795 Q HN 0.402 nan 8.270 nan 0.000 0.426 796 L N 0.174 121.320 121.223 -0.128 0.000 2.042 796 L HA -0.162 4.399 4.340 0.369 0.000 0.210 796 L C 2.113 178.846 176.870 -0.228 0.000 1.076 796 L CA 1.908 56.648 54.840 -0.166 0.000 0.749 796 L CB -0.473 41.482 42.059 -0.173 0.000 0.893 796 L HN 0.405 nan 8.230 nan 0.000 0.432 797 M N -0.893 118.541 119.600 -0.277 0.000 2.080 797 M HA -0.248 4.453 4.480 0.369 0.000 0.260 797 M C 2.043 177.705 176.300 -1.063 0.000 1.068 797 M CA 2.200 57.013 55.300 -0.812 0.000 1.109 797 M CB -0.752 31.195 32.600 -1.089 0.000 1.342 797 M HN 0.282 nan 8.290 nan 0.000 0.405 798 D N 0.197 120.294 120.400 -0.504 0.000 2.123 798 D HA -0.136 4.726 4.640 0.369 0.000 0.196 798 D C 1.759 178.043 176.300 -0.026 0.000 0.992 798 D CA 1.230 55.218 54.000 -0.020 0.000 0.833 798 D CB 0.081 40.914 40.800 0.055 0.000 0.954 798 D HN 0.100 nan 8.370 nan 0.000 0.455 799 V N 0.297 120.137 119.914 -0.123 0.000 2.270 799 V HA -0.209 4.132 4.120 0.369 0.000 0.245 799 V C 2.678 178.709 176.094 -0.105 0.000 1.043 799 V CA 1.364 63.607 62.300 -0.095 0.000 1.014 799 V CB -0.525 31.224 31.823 -0.125 0.000 0.645 799 V HN 0.280 nan 8.190 nan 0.000 0.447 800 L N -1.452 119.642 121.223 -0.215 0.000 2.079 800 L HA -0.206 4.355 4.340 0.369 0.000 0.210 800 L C 2.589 179.460 176.870 0.002 0.000 1.081 800 L CA 1.724 56.433 54.840 -0.219 0.000 0.752 800 L CB -0.662 41.177 42.059 -0.368 0.000 0.896 800 L HN 0.405 nan 8.230 nan 0.000 0.433 801 W N 0.882 122.182 121.300 -0.000 0.000 2.378 801 W HA -0.128 4.753 4.660 0.369 0.000 0.313 801 W C 2.565 179.083 176.519 -0.002 0.000 1.197 801 W CA 0.840 58.188 57.345 0.006 0.000 1.304 801 W CB -0.840 28.616 29.460 -0.006 0.000 1.148 801 W HN 0.119 nan 8.180 nan 0.000 0.494 802 K N 0.245 120.778 120.400 0.221 0.000 2.147 802 K HA -0.188 4.354 4.320 0.369 0.000 0.205 802 K C 1.942 178.587 176.600 0.075 0.000 1.049 802 K CA 1.352 57.710 56.287 0.120 0.000 0.936 802 K CB -0.345 32.203 32.500 0.079 0.000 0.722 802 K HN 0.229 nan 8.250 nan 0.000 0.446 803 Q N 0.400 120.237 119.800 0.061 0.000 2.291 803 Q HA -0.113 4.449 4.340 0.369 0.000 0.205 803 Q C 0.543 176.584 176.000 0.069 0.000 0.970 803 Q CA 0.874 56.702 55.803 0.041 0.000 0.876 803 Q CB 0.284 29.032 28.738 0.018 0.000 0.935 803 Q HN 0.325 nan 8.270 nan 0.000 0.455 804 E N -0.601 119.662 120.200 0.105 0.000 2.437 804 E HA 0.156 4.727 4.350 0.369 0.000 0.195 804 E C 0.416 177.063 176.600 0.078 0.000 1.029 804 E CA 0.271 56.729 56.400 0.097 0.000 0.948 804 E CB 0.813 30.587 29.700 0.123 0.000 1.082 804 E HN 0.377 nan 8.360 nan 0.000 0.456 805 G N 1.944 110.785 108.800 0.069 0.000 2.198 805 G HA2 -0.271 3.910 3.960 0.369 0.000 0.257 805 G HA3 -0.271 3.910 3.960 0.369 0.000 0.257 805 G C -0.268 174.660 174.900 0.047 0.000 1.042 805 G CA 0.277 45.408 45.100 0.053 0.000 0.791 805 G HN 0.265 nan 8.290 nan 0.000 0.502 806 L N 0.771 122.031 121.223 0.063 0.000 2.316 806 L HA 0.725 5.287 4.340 0.369 0.000 0.280 806 L C -0.840 176.045 176.870 0.024 0.000 1.006 806 L CA -1.262 53.582 54.840 0.008 0.000 0.836 806 L CB 1.796 43.834 42.059 -0.035 0.000 1.221 806 L HN 0.102 nan 8.230 nan 0.000 0.418 807 D N 4.854 125.238 120.400 -0.026 0.000 2.454 807 D HA 0.237 5.099 4.640 0.369 0.000 0.225 807 D C 0.367 176.605 176.300 -0.103 0.000 1.081 807 D CA -0.107 53.883 54.000 -0.016 0.000 0.864 807 D CB 0.826 41.627 40.800 0.002 0.000 1.040 807 D HN 0.614 nan 8.370 nan 0.000 0.517 808 L N 3.682 124.846 121.223 -0.098 0.000 2.653 808 L HA 0.196 4.757 4.340 0.369 0.000 0.232 808 L C 0.542 177.377 176.870 -0.058 0.000 1.169 808 L CA -0.289 54.447 54.840 -0.173 0.000 0.951 808 L CB -0.151 41.711 42.059 -0.328 0.000 1.181 808 L HN 0.269 nan 8.230 nan 0.000 0.460 809 R N -0.523 119.960 120.500 -0.028 0.000 3.336 809 R HA -0.144 4.418 4.340 0.369 0.000 0.260 809 R C -0.056 176.305 176.300 0.102 0.000 1.032 809 R CA 0.628 56.723 56.100 -0.008 0.000 0.693 809 R CB -1.982 28.296 30.300 -0.037 0.000 1.134 809 R HN 0.292 nan 8.270 nan 0.000 0.433 810 M N -0.132 119.549 119.600 0.135 0.000 2.198 810 M HA 0.154 4.856 4.480 0.369 0.000 0.315 810 M C 0.899 177.348 176.300 0.248 0.000 1.134 810 M CA 0.626 56.070 55.300 0.240 0.000 1.171 810 M CB 0.286 32.986 32.600 0.167 0.000 1.413 810 M HN 0.009 nan 8.290 nan 0.000 0.467 811 T N 2.920 117.687 114.554 0.355 0.000 3.141 811 T HA 0.361 4.933 4.350 0.369 0.000 0.377 811 T C -2.333 172.516 174.700 0.250 0.000 1.258 811 T CA -0.886 61.318 62.100 0.174 0.000 1.263 811 T CB 0.488 69.278 68.868 -0.130 0.000 1.066 811 T HN 0.368 nan 8.240 nan 0.000 0.546 812 P HA 0.193 nan 4.420 nan 0.000 0.219 812 P C -0.340 176.991 177.300 0.052 0.000 1.832 812 P CA -0.585 62.569 63.100 0.091 0.000 1.014 812 P CB -0.906 30.832 31.700 0.064 0.000 1.939 813 Y N -0.535 119.802 120.300 0.062 0.000 2.457 813 Y HA 0.521 5.293 4.550 0.369 0.000 0.341 813 Y C 0.915 176.872 175.900 0.096 0.000 1.240 813 Y CA -1.055 57.074 58.100 0.047 0.000 1.437 813 Y CB -0.014 38.448 38.460 0.002 0.000 1.328 813 Y HN 0.197 nan 8.280 nan 0.000 0.588 814 G N 0.761 109.672 108.800 0.185 0.000 2.491 814 G HA2 0.331 4.513 3.960 0.369 0.000 0.242 814 G HA3 0.331 4.513 3.960 0.369 0.000 0.242 814 G C -1.302 173.697 174.900 0.165 0.000 1.266 814 G CA -0.275 44.909 45.100 0.140 0.000 0.844 814 G HN 1.092 nan 8.290 nan 0.000 0.571 815 C N 3.267 122.635 119.300 0.113 0.000 2.716 815 C HA 0.684 5.365 4.460 0.369 0.000 0.366 815 C C -1.151 173.902 174.990 0.106 0.000 1.073 815 C CA -0.888 58.202 59.018 0.121 0.000 1.260 815 C CB 0.375 28.182 27.740 0.111 0.000 1.755 815 C HN 0.838 nan 8.230 nan 0.000 0.475 816 L N 8.629 129.899 121.223 0.079 0.000 2.504 816 L HA 0.645 5.207 4.340 0.369 0.000 0.265 816 L C -2.620 174.254 176.870 0.006 0.000 0.975 816 L CA -1.133 53.746 54.840 0.065 0.000 0.864 816 L CB 2.052 44.132 42.059 0.035 0.000 1.212 816 L HN 0.483 nan 8.230 nan 0.000 0.416 817 P HA 0.374 nan 4.420 nan 0.000 0.271 817 P C 0.009 177.327 177.300 0.030 0.000 1.216 817 P CA -0.141 62.979 63.100 0.034 0.000 0.776 817 P CB 0.927 32.678 31.700 0.085 0.000 0.881 818 T N -0.936 113.618 114.554 0.001 0.000 2.958 818 T HA 0.502 5.074 4.350 0.369 0.000 0.256 818 T C 0.671 175.483 174.700 0.187 0.000 0.983 818 T CA 0.248 62.370 62.100 0.036 0.000 0.924 818 T CB 0.024 68.770 68.868 -0.204 0.000 1.136 818 T HN 0.511 nan 8.240 nan 0.000 0.506 819 G N 0.486 109.345 108.800 0.099 0.000 2.561 819 G HA2 0.428 4.610 3.960 0.369 0.000 0.310 819 G HA3 0.428 4.610 3.960 0.369 0.000 0.310 819 G C -2.080 172.731 174.900 -0.149 0.000 1.292 819 G CA -0.623 44.512 45.100 0.059 0.000 0.811 819 G HN 0.045 nan 8.290 nan 0.000 0.482 820 D N 0.727 120.889 120.400 -0.396 0.000 2.363 820 D HA 0.159 5.020 4.640 0.369 0.000 0.263 820 D C 1.087 177.200 176.300 -0.311 0.000 1.258 820 D CA 0.124 53.654 54.000 -0.785 0.000 0.907 820 D CB 0.071 40.478 40.800 -0.656 0.000 1.107 820 D HN 0.503 nan 8.370 nan 0.000 0.495 821 R N 2.131 122.500 120.500 -0.219 0.000 3.387 821 R HA -0.173 4.389 4.340 0.369 0.000 0.254 821 R C -0.391 175.830 176.300 -0.132 0.000 1.006 821 R CA 0.858 56.891 56.100 -0.112 0.000 0.677 821 R CB -2.089 28.164 30.300 -0.078 0.000 1.063 821 R HN 0.400 nan 8.270 nan 0.000 0.453 822 T N -1.013 113.457 114.554 -0.140 0.000 2.916 822 T HA 0.726 5.297 4.350 0.369 0.000 0.298 822 T C 0.213 174.810 174.700 -0.173 0.000 1.031 822 T CA -0.117 61.861 62.100 -0.203 0.000 0.993 822 T CB 2.403 71.209 68.868 -0.104 0.000 1.045 822 T HN 0.451 nan 8.240 nan 0.000 0.454 823 G N 1.236 109.869 108.800 -0.278 0.000 2.428 823 G HA2 0.611 4.792 3.960 0.369 0.000 0.304 823 G HA3 0.611 4.792 3.960 0.369 0.000 0.304 823 G C -2.337 172.465 174.900 -0.163 0.000 1.303 823 G CA -0.794 44.208 45.100 -0.164 0.000 0.825 823 G HN 0.711 nan 8.290 nan 0.000 0.484 824 L N -0.282 120.902 121.223 -0.064 0.000 2.354 824 L HA 0.714 5.275 4.340 0.369 0.000 0.269 824 L C -0.944 175.950 176.870 0.040 0.000 1.005 824 L CA -0.922 53.920 54.840 0.003 0.000 0.819 824 L CB 2.168 44.233 42.059 0.011 0.000 1.311 824 L HN 0.379 nan 8.230 nan 0.000 0.423 825 I N 0.858 121.470 120.570 0.071 0.000 2.569 825 I HA 0.264 4.656 4.170 0.369 0.000 0.296 825 I C -0.023 176.161 176.117 0.111 0.000 1.028 825 I CA -0.359 61.023 61.300 0.137 0.000 1.082 825 I CB 1.978 40.079 38.000 0.168 0.000 1.264 825 I HN 0.530 nan 8.210 nan 0.000 0.429 826 E N 4.791 125.102 120.200 0.186 0.000 2.316 826 E HA 0.297 4.868 4.350 0.369 0.000 0.275 826 E C -1.080 175.520 176.600 0.001 0.000 1.029 826 E CA -0.503 55.956 56.400 0.100 0.000 0.871 826 E CB 1.161 30.956 29.700 0.159 0.000 1.022 826 E HN 0.408 nan 8.360 nan 0.000 0.418 827 V N 5.159 125.001 119.914 -0.121 0.000 2.508 827 V HA 0.035 4.377 4.120 0.369 0.000 0.281 827 V C -0.051 175.976 176.094 -0.111 0.000 1.041 827 V CA -0.283 61.882 62.300 -0.224 0.000 1.016 827 V CB 1.349 32.846 31.823 -0.543 0.000 0.984 827 V HN 0.482 nan 8.190 nan 0.000 0.478 828 V N 7.725 127.599 119.914 -0.067 0.000 2.318 828 V HA 0.340 4.682 4.120 0.369 0.000 0.271 828 V C 0.242 176.387 176.094 0.086 0.000 1.030 828 V CA -0.306 61.969 62.300 -0.041 0.000 0.844 828 V CB 0.983 32.670 31.823 -0.227 0.000 1.015 828 V HN 0.604 nan 8.190 nan 0.000 0.460 829 L N 4.295 125.549 121.223 0.052 0.000 2.456 829 L HA 0.456 5.017 4.340 0.369 0.000 0.257 829 L C 0.830 177.748 176.870 0.080 0.000 1.162 829 L CA -0.534 54.302 54.840 -0.007 0.000 0.808 829 L CB 0.155 42.097 42.059 -0.194 0.000 1.136 829 L HN 0.813 nan 8.230 nan 0.000 0.466 830 H N -1.262 117.927 119.070 0.197 0.000 2.756 830 H HA -0.137 4.641 4.556 0.370 0.000 0.315 830 H C -0.426 175.065 175.328 0.271 0.000 1.210 830 H CA 0.524 56.694 56.048 0.203 0.000 1.150 830 H CB -1.512 28.344 29.762 0.155 0.000 1.463 830 H HN 0.566 nan 8.280 nan 0.000 0.427 831 S N -1.119 114.776 115.700 0.325 0.000 2.595 831 S HA 0.749 5.440 4.470 0.369 0.000 0.281 831 S C -0.998 173.707 174.600 0.174 0.000 1.117 831 S CA -0.997 57.392 58.200 0.315 0.000 0.873 831 S CB 4.013 67.456 63.200 0.404 0.000 1.108 831 S HN 0.225 nan 8.310 nan 0.000 0.477 832 D N 0.367 120.771 120.400 0.007 0.000 2.583 832 D HA 0.541 5.402 4.640 0.369 0.000 0.248 832 D C -0.730 175.416 176.300 -0.257 0.000 1.209 832 D CA -0.147 53.778 54.000 -0.124 0.000 0.848 832 D CB 2.340 43.050 40.800 -0.152 0.000 1.431 832 D HN 0.814 nan 8.370 nan 0.000 0.436 833 T N 0.071 114.487 114.554 -0.230 0.000 2.913 833 T HA 0.194 4.766 4.350 0.369 0.000 0.297 833 T C 1.976 176.524 174.700 -0.254 0.000 1.029 833 T CA -0.682 61.273 62.100 -0.241 0.000 1.104 833 T CB 0.554 69.318 68.868 -0.172 0.000 0.964 833 T HN 0.267 nan 8.240 nan 0.000 0.532 834 I N 1.891 122.337 120.570 -0.207 0.000 2.151 834 I HA -0.212 4.179 4.170 0.369 0.000 0.243 834 I C 2.928 178.988 176.117 -0.094 0.000 1.080 834 I CA 1.874 63.103 61.300 -0.120 0.000 1.339 834 I CB -2.210 35.814 38.000 0.039 0.000 1.039 834 I HN 0.918 nan 8.210 nan 0.000 0.409 835 A N 0.780 123.556 122.820 -0.074 0.000 1.892 835 A HA -0.299 4.242 4.320 0.369 0.000 0.218 835 A C 2.223 179.758 177.584 -0.081 0.000 1.188 835 A CA 2.438 54.439 52.037 -0.060 0.000 0.631 835 A CB -1.044 17.923 19.000 -0.055 0.000 0.822 835 A HN 0.490 nan 8.150 nan 0.000 0.447 836 N N 0.046 118.679 118.700 -0.112 0.000 2.084 836 N HA -0.112 4.850 4.740 0.369 0.000 0.190 836 N C 1.492 176.931 175.510 -0.119 0.000 1.030 836 N CA 1.956 54.940 53.050 -0.111 0.000 0.849 836 N CB -0.424 37.989 38.487 -0.123 0.000 1.012 836 N HN 0.528 nan 8.380 nan 0.000 0.423 837 I N 0.376 120.828 120.570 -0.196 0.000 2.208 837 I HA -0.261 4.131 4.170 0.369 0.000 0.245 837 I C 1.956 178.021 176.117 -0.087 0.000 1.097 837 I CA 1.110 62.286 61.300 -0.207 0.000 1.363 837 I CB -0.341 37.403 38.000 -0.427 0.000 1.051 837 I HN 0.257 nan 8.210 nan 0.000 0.413 838 Q N 0.445 120.204 119.800 -0.069 0.000 2.500 838 Q HA -0.058 4.503 4.340 0.369 0.000 0.213 838 Q C 2.171 178.161 176.000 -0.017 0.000 0.974 838 Q CA 0.554 56.343 55.803 -0.023 0.000 0.918 838 Q CB 0.007 28.742 28.738 -0.005 0.000 0.980 838 Q HN 0.584 nan 8.270 nan 0.000 0.505 839 L N 0.604 121.809 121.223 -0.030 0.000 2.353 839 L HA -0.150 4.412 4.340 0.369 0.000 0.220 839 L C 0.612 177.475 176.870 -0.011 0.000 1.133 839 L CA 0.296 55.122 54.840 -0.023 0.000 0.798 839 L CB -0.454 41.587 42.059 -0.031 0.000 0.922 839 L HN 0.418 nan 8.230 nan 0.000 0.445 840 N N 1.369 120.069 118.700 -0.000 0.000 2.705 840 N HA -0.220 4.742 4.740 0.369 0.000 0.255 840 N C -0.096 175.417 175.510 0.005 0.000 1.008 840 N CA 0.673 53.729 53.050 0.010 0.000 0.742 840 N CB -0.840 37.650 38.487 0.005 0.000 0.906 840 N HN 0.295 nan 8.380 nan 0.000 0.541 841 K N 0.239 120.646 120.400 0.010 0.000 2.355 841 K HA 0.157 4.698 4.320 0.369 0.000 0.270 841 K C 0.756 177.360 176.600 0.007 0.000 1.003 841 K CA 0.174 56.464 56.287 0.005 0.000 0.957 841 K CB 0.411 32.915 32.500 0.007 0.000 0.939 841 K HN 0.505 nan 8.250 nan 0.000 0.482 842 S N 1.567 117.266 115.700 -0.002 0.000 2.593 842 S HA 0.051 4.742 4.470 0.369 0.000 0.269 842 S C 0.501 175.103 174.600 0.002 0.000 1.334 842 S CA -0.307 57.891 58.200 -0.004 0.000 1.015 842 S CB 0.622 63.815 63.200 -0.011 0.000 0.912 842 S HN 0.879 nan 8.310 nan 0.000 0.541 843 N N -0.977 117.724 118.700 0.002 0.000 2.829 843 N HA -0.130 4.832 4.740 0.369 0.000 0.250 843 N C -0.800 174.716 175.510 0.010 0.000 1.090 843 N CA 1.224 54.276 53.050 0.003 0.000 0.781 843 N CB -1.116 37.371 38.487 0.000 0.000 1.124 843 N HN 0.641 nan 8.380 nan 0.000 0.559 844 M N -1.302 118.309 119.600 0.018 0.000 2.690 844 M HA 0.602 5.304 4.480 0.369 0.000 0.302 844 M C 1.307 177.622 176.300 0.026 0.000 1.234 844 M CA -0.232 55.086 55.300 0.030 0.000 0.853 844 M CB 0.677 33.310 32.600 0.054 0.000 1.748 844 M HN -0.061 nan 8.290 nan 0.000 0.469 845 A N 0.569 123.403 122.820 0.022 0.000 2.014 845 A HA 0.203 4.744 4.320 0.369 0.000 0.218 845 A C 1.709 179.308 177.584 0.026 0.000 1.163 845 A CA 1.805 53.846 52.037 0.007 0.000 0.652 845 A CB -0.574 18.412 19.000 -0.022 0.000 0.808 845 A HN 0.891 nan 8.150 nan 0.000 0.449 846 A N -0.775 122.083 122.820 0.063 0.000 2.238 846 A HA 0.265 4.806 4.320 0.369 0.000 0.208 846 A C 1.025 178.655 177.584 0.077 0.000 1.177 846 A CA 0.456 52.553 52.037 0.100 0.000 0.804 846 A CB -0.837 18.292 19.000 0.216 0.000 0.823 846 A HN 0.257 nan 8.150 nan 0.000 0.482 847 T N 2.039 116.622 114.554 0.047 0.000 2.822 847 T HA 0.371 4.943 4.350 0.369 0.000 0.288 847 T C 0.371 175.082 174.700 0.018 0.000 0.991 847 T CA 0.844 62.959 62.100 0.025 0.000 1.176 847 T CB 0.242 69.115 68.868 0.008 0.000 0.951 847 T HN 0.525 nan 8.240 nan 0.000 0.526 848 A N 2.761 125.588 122.820 0.011 0.000 2.322 848 A HA 0.821 5.363 4.320 0.369 0.000 0.327 848 A C 1.231 178.776 177.584 -0.065 0.000 1.134 848 A CA -0.308 51.734 52.037 0.008 0.000 0.831 848 A CB 0.970 20.001 19.000 0.051 0.000 1.288 848 A HN 0.841 nan 8.150 nan 0.000 0.472 849 A N 0.036 122.797 122.820 -0.098 0.000 1.970 849 A HA 0.487 5.029 4.320 0.369 0.000 0.216 849 A C 0.049 177.199 177.584 -0.723 0.000 1.170 849 A CA 0.930 52.733 52.037 -0.390 0.000 0.645 849 A CB -0.216 18.568 19.000 -0.361 0.000 0.816 849 A HN 0.671 nan 8.150 nan 0.000 0.447 850 F N -1.897 118.037 119.950 -0.027 0.000 2.561 850 F HA 0.345 5.094 4.527 0.369 0.000 0.313 850 F C 0.692 176.462 175.800 -0.050 0.000 1.126 850 F CA -0.953 57.018 58.000 -0.049 0.000 0.918 850 F CB 1.381 40.339 39.000 -0.070 0.000 1.199 850 F HN 0.040 nan 8.300 nan 0.000 0.444 851 N N 2.298 121.060 118.700 0.103 0.000 2.184 851 N HA -0.264 4.697 4.740 0.369 0.000 0.190 851 N C 1.784 177.314 175.510 0.034 0.000 1.011 851 N CA 2.109 55.190 53.050 0.052 0.000 0.867 851 N CB 0.035 38.545 38.487 0.039 0.000 0.993 851 N HN 0.702 nan 8.380 nan 0.000 0.433 852 K N -1.101 119.297 120.400 -0.004 0.000 2.442 852 K HA -0.084 4.457 4.320 0.369 0.000 0.198 852 K C 0.504 177.014 176.600 -0.150 0.000 1.044 852 K CA 1.403 57.605 56.287 -0.141 0.000 0.948 852 K CB 0.203 32.510 32.500 -0.322 0.000 0.762 852 K HN 0.194 nan 8.250 nan 0.000 0.472 853 D N 0.730 121.134 120.400 0.008 0.000 2.367 853 D HA 0.136 4.997 4.640 0.369 0.000 0.207 853 D C 1.806 178.168 176.300 0.102 0.000 1.034 853 D CA 0.614 54.673 54.000 0.099 0.000 0.861 853 D CB 0.389 41.277 40.800 0.147 0.000 0.943 853 D HN 0.324 nan 8.370 nan 0.000 0.515 854 A N 1.484 124.351 122.820 0.079 0.000 1.869 854 A HA -0.201 4.340 4.320 0.369 0.000 0.218 854 A C 2.217 179.872 177.584 0.118 0.000 1.203 854 A CA 1.080 53.168 52.037 0.086 0.000 0.638 854 A CB -0.952 18.082 19.000 0.055 0.000 0.831 854 A HN 0.273 nan 8.150 nan 0.000 0.450 855 L N -1.397 119.881 121.223 0.092 0.000 2.046 855 L HA -0.156 4.406 4.340 0.369 0.000 0.208 855 L C 2.564 179.513 176.870 0.132 0.000 1.077 855 L CA 1.688 56.582 54.840 0.091 0.000 0.747 855 L CB -0.251 41.844 42.059 0.059 0.000 0.896 855 L HN 0.514 nan 8.230 nan 0.000 0.432 856 L N 0.022 121.302 121.223 0.096 0.000 2.109 856 L HA -0.156 4.405 4.340 0.369 0.000 0.207 856 L C 2.096 179.023 176.870 0.095 0.000 1.086 856 L CA 1.524 56.402 54.840 0.064 0.000 0.760 856 L CB -0.690 41.394 42.059 0.042 0.000 0.910 856 L HN 0.223 nan 8.230 nan 0.000 0.437 857 N N -0.878 117.892 118.700 0.117 0.000 2.069 857 N HA -0.276 4.685 4.740 0.369 0.000 0.191 857 N C 1.458 177.051 175.510 0.138 0.000 1.031 857 N CA 1.770 54.883 53.050 0.105 0.000 0.852 857 N CB -0.805 37.742 38.487 0.100 0.000 1.018 857 N HN 0.577 nan 8.380 nan 0.000 0.423 858 W N 1.653 122.957 121.300 0.006 0.000 2.321 858 W HA -0.060 4.821 4.660 0.368 0.000 0.306 858 W C 1.942 178.466 176.519 0.009 0.000 1.217 858 W CA 1.166 58.517 57.345 0.010 0.000 1.257 858 W CB -0.416 29.053 29.460 0.015 0.000 1.145 858 W HN 0.021 nan 8.180 nan 0.000 0.509 859 L N 0.408 121.786 121.223 0.258 0.000 2.046 859 L HA -0.240 4.321 4.340 0.369 0.000 0.208 859 L C 2.543 179.376 176.870 -0.062 0.000 1.077 859 L CA 1.672 56.565 54.840 0.090 0.000 0.747 859 L CB -0.766 41.373 42.059 0.133 0.000 0.896 859 L HN -0.032 nan 8.230 nan 0.000 0.432 860 K N -0.201 120.182 120.400 -0.028 0.000 2.032 860 K HA -0.191 4.351 4.320 0.369 0.000 0.209 860 K C 2.308 178.850 176.600 -0.097 0.000 1.048 860 K CA 1.844 58.103 56.287 -0.046 0.000 0.927 860 K CB -0.236 32.255 32.500 -0.015 0.000 0.712 860 K HN 0.374 nan 8.250 nan 0.000 0.441 861 S N 1.180 116.797 115.700 -0.137 0.000 2.383 861 S HA -0.127 4.564 4.470 0.369 0.000 0.229 861 S C 1.731 176.184 174.600 -0.246 0.000 1.030 861 S CA 1.048 59.141 58.200 -0.178 0.000 1.002 861 S CB -0.093 62.988 63.200 -0.199 0.000 0.829 861 S HN 0.114 nan 8.310 nan 0.000 0.467 862 K N 1.752 121.925 120.400 -0.379 0.000 2.365 862 K HA 0.223 4.764 4.320 0.369 0.000 0.197 862 K C 0.140 176.617 176.600 -0.205 0.000 1.042 862 K CA 0.308 56.374 56.287 -0.369 0.000 0.987 862 K CB -0.253 31.887 32.500 -0.601 0.000 0.779 862 K HN 0.485 nan 8.250 nan 0.000 0.484 863 N N 1.834 120.443 118.700 -0.151 0.000 2.791 863 N HA 0.175 5.137 4.740 0.369 0.000 0.265 863 N C -2.755 172.722 175.510 -0.055 0.000 1.580 863 N CA -0.971 52.030 53.050 -0.081 0.000 0.809 863 N CB 1.940 40.398 38.487 -0.049 0.000 1.178 863 N HN 0.030 nan 8.380 nan 0.000 0.499 864 P HA 0.130 nan 4.420 nan 0.000 0.272 864 P C 1.016 178.303 177.300 -0.023 0.000 1.223 864 P CA 0.746 63.822 63.100 -0.039 0.000 0.784 864 P CB 1.037 32.713 31.700 -0.040 0.000 0.923 865 G N 3.003 111.794 108.800 -0.016 0.000 2.622 865 G HA2 -0.352 3.830 3.960 0.369 0.000 0.307 865 G HA3 -0.352 3.830 3.960 0.369 0.000 0.307 865 G C 0.957 175.855 174.900 -0.002 0.000 1.226 865 G CA 0.662 45.758 45.100 -0.007 0.000 0.997 865 G HN 0.565 nan 8.290 nan 0.000 0.551 866 E N 1.120 121.321 120.200 0.002 0.000 2.268 866 E HA 0.156 4.727 4.350 0.369 0.000 0.195 866 E C 2.824 179.431 176.600 0.012 0.000 0.995 866 E CA 0.949 57.354 56.400 0.009 0.000 0.836 866 E CB -0.207 29.499 29.700 0.011 0.000 0.763 866 E HN 0.724 nan 8.360 nan 0.000 0.491 867 A N 1.554 124.378 122.820 0.007 0.000 2.019 867 A HA -0.158 4.384 4.320 0.369 0.000 0.219 867 A C 2.145 179.738 177.584 0.016 0.000 1.164 867 A CA 0.766 52.809 52.037 0.010 0.000 0.644 867 A CB -0.412 18.586 19.000 -0.003 0.000 0.805 867 A HN 0.223 nan 8.150 nan 0.000 0.449 868 L N 0.421 121.649 121.223 0.009 0.000 2.013 868 L HA -0.211 4.351 4.340 0.369 0.000 0.212 868 L C 1.630 178.517 176.870 0.028 0.000 1.073 868 L CA 2.629 57.476 54.840 0.011 0.000 0.753 868 L CB -0.840 41.220 42.059 0.001 0.000 0.890 868 L HN 0.351 nan 8.230 nan 0.000 0.432 869 D N -0.750 119.668 120.400 0.031 0.000 2.123 869 D HA -0.230 4.631 4.640 0.369 0.000 0.196 869 D C 2.319 178.658 176.300 0.064 0.000 0.992 869 D CA 1.330 55.357 54.000 0.045 0.000 0.833 869 D CB -0.142 40.683 40.800 0.043 0.000 0.954 869 D HN 0.222 nan 8.370 nan 0.000 0.455 870 R N 0.958 121.495 120.500 0.062 0.000 2.092 870 R HA 0.031 4.593 4.340 0.369 0.000 0.231 870 R C 1.892 178.247 176.300 0.091 0.000 1.119 870 R CA 1.544 57.690 56.100 0.076 0.000 0.970 870 R CB -0.634 29.709 30.300 0.071 0.000 0.864 870 R HN 0.085 nan 8.270 nan 0.000 0.440 871 A N 0.507 123.378 122.820 0.085 0.000 1.873 871 A HA -0.075 4.466 4.320 0.369 0.000 0.215 871 A C 2.276 179.953 177.584 0.155 0.000 1.186 871 A CA 1.556 53.661 52.037 0.113 0.000 0.616 871 A CB -0.576 18.476 19.000 0.087 0.000 0.823 871 A HN 0.363 nan 8.150 nan 0.000 0.442 872 I N -0.606 120.033 120.570 0.115 0.000 2.286 872 I HA -0.244 4.147 4.170 0.369 0.000 0.248 872 I C 2.552 178.786 176.117 0.196 0.000 1.115 872 I CA 1.795 63.169 61.300 0.124 0.000 1.392 872 I CB -0.204 37.831 38.000 0.057 0.000 1.065 872 I HN 0.419 nan 8.210 nan 0.000 0.418 873 E N 1.198 121.495 120.200 0.160 0.000 2.072 873 E HA -0.204 4.368 4.350 0.369 0.000 0.191 873 E C 2.033 178.723 176.600 0.150 0.000 0.985 873 E CA 1.315 57.813 56.400 0.164 0.000 0.801 873 E CB -0.028 29.747 29.700 0.125 0.000 0.750 873 E HN 0.330 nan 8.360 nan 0.000 0.452 874 E N -0.228 120.055 120.200 0.138 0.000 2.085 874 E HA -0.200 4.372 4.350 0.369 0.000 0.194 874 E C 2.039 178.735 176.600 0.160 0.000 0.994 874 E CA 1.002 57.470 56.400 0.114 0.000 0.801 874 E CB -0.487 29.282 29.700 0.115 0.000 0.743 874 E HN 0.362 nan 8.360 nan 0.000 0.453 875 F N 2.179 122.179 119.950 0.084 0.000 2.095 875 F HA -0.226 4.522 4.527 0.369 0.000 0.298 875 F C 2.424 178.283 175.800 0.099 0.000 1.104 875 F CA 1.872 59.917 58.000 0.076 0.000 1.232 875 F CB -0.283 38.749 39.000 0.053 0.000 0.987 875 F HN -0.088 nan 8.300 nan 0.000 0.475 876 T N 1.473 116.215 114.554 0.314 0.000 2.708 876 T HA -0.171 4.401 4.350 0.369 0.000 0.266 876 T C 2.098 176.982 174.700 0.306 0.000 1.037 876 T CA 1.786 64.088 62.100 0.337 0.000 1.146 876 T CB -0.568 68.546 68.868 0.409 0.000 0.865 876 T HN 0.215 nan 8.240 nan 0.000 0.435 877 L N 1.487 122.778 121.223 0.113 0.000 1.989 877 L HA -0.145 4.417 4.340 0.369 0.000 0.211 877 L C 2.966 179.822 176.870 -0.022 0.000 1.071 877 L CA 1.673 56.459 54.840 -0.090 0.000 0.749 877 L CB -0.799 41.132 42.059 -0.214 0.000 0.890 877 L HN 0.374 nan 8.230 nan 0.000 0.431 878 S N -1.493 114.217 115.700 0.016 0.000 2.383 878 S HA -0.234 4.457 4.470 0.369 0.000 0.227 878 S C 2.188 176.886 174.600 0.163 0.000 1.026 878 S CA 0.952 59.216 58.200 0.107 0.000 0.981 878 S CB -1.224 62.078 63.200 0.169 0.000 0.818 878 S HN 0.516 nan 8.310 nan 0.000 0.472 879 C N 2.256 121.549 119.300 -0.012 0.000 2.413 879 C HA 0.037 4.719 4.460 0.369 0.000 0.276 879 C C 3.151 178.357 174.990 0.360 0.000 1.248 879 C CA 1.028 60.076 59.018 0.050 0.000 1.742 879 C CB -1.747 25.900 27.740 -0.155 0.000 2.017 879 C HN 0.695 nan 8.230 nan 0.000 0.481 880 A N 0.251 123.320 122.820 0.416 0.000 1.877 880 A HA 0.083 4.624 4.320 0.369 0.000 0.216 880 A C 2.492 180.131 177.584 0.090 0.000 1.186 880 A CA 2.162 54.366 52.037 0.278 0.000 0.620 880 A CB -1.539 17.534 19.000 0.121 0.000 0.822 880 A HN 0.686 nan 8.150 nan 0.000 0.443 881 G N -1.654 107.109 108.800 -0.063 0.000 2.440 881 G HA2 -0.243 3.938 3.960 0.369 0.000 0.218 881 G HA3 -0.243 3.938 3.960 0.369 0.000 0.218 881 G C 1.460 176.346 174.900 -0.024 0.000 1.154 881 G CA 1.331 46.307 45.100 -0.205 0.000 0.767 881 G HN 0.561 nan 8.290 nan 0.000 0.552 882 Y N -0.197 120.221 120.300 0.197 0.000 2.337 882 Y HA 0.024 4.795 4.550 0.370 0.000 0.293 882 Y C 3.036 179.009 175.900 0.123 0.000 1.123 882 Y CA 0.366 58.565 58.100 0.164 0.000 1.201 882 Y CB -0.383 38.197 38.460 0.200 0.000 1.011 882 Y HN 0.213 nan 8.280 nan 0.000 0.545 883 C N -1.180 118.282 119.300 0.270 0.000 2.440 883 C HA -0.093 4.588 4.460 0.369 0.000 0.278 883 C C 2.715 177.793 174.990 0.146 0.000 1.295 883 C CA 0.792 59.868 59.018 0.097 0.000 1.738 883 C CB -0.961 26.836 27.740 0.095 0.000 1.987 883 C HN 0.336 nan 8.230 nan 0.000 0.492 884 V N 1.091 121.216 119.914 0.352 0.000 2.379 884 V HA -0.116 4.226 4.120 0.369 0.000 0.245 884 V C 2.669 179.023 176.094 0.433 0.000 1.044 884 V CA 2.094 64.710 62.300 0.526 0.000 1.036 884 V CB -1.153 30.956 31.823 0.478 0.000 0.664 884 V HN 0.562 nan 8.190 nan 0.000 0.453 885 A N 0.897 123.906 122.820 0.316 0.000 1.898 885 A HA -0.209 4.333 4.320 0.369 0.000 0.216 885 A C 2.499 180.166 177.584 0.139 0.000 1.181 885 A CA 2.442 54.598 52.037 0.199 0.000 0.620 885 A CB -0.998 18.076 19.000 0.125 0.000 0.819 885 A HN 0.623 nan 8.150 nan 0.000 0.442 886 T N -3.337 111.304 114.554 0.144 0.000 2.821 886 T HA -0.229 4.343 4.350 0.369 0.000 0.267 886 T C 1.851 176.652 174.700 0.169 0.000 1.046 886 T CA 1.568 63.739 62.100 0.119 0.000 1.139 886 T CB -0.595 68.326 68.868 0.089 0.000 0.871 886 T HN 0.490 nan 8.240 nan 0.000 0.454 887 Y N 2.278 122.653 120.300 0.124 0.000 2.114 887 Y HA -0.036 4.735 4.550 0.369 0.000 0.284 887 Y C 2.363 178.406 175.900 0.240 0.000 1.143 887 Y CA 0.980 59.201 58.100 0.202 0.000 1.135 887 Y CB -0.720 37.945 38.460 0.341 0.000 0.980 887 Y HN 0.058 nan 8.280 nan 0.000 0.499 888 V N 0.944 120.886 119.914 0.047 0.000 2.287 888 V HA -0.327 4.014 4.120 0.369 0.000 0.248 888 V C 2.348 178.370 176.094 -0.120 0.000 1.053 888 V CA 2.227 64.473 62.300 -0.089 0.000 1.027 888 V CB -0.744 31.091 31.823 0.021 0.000 0.646 888 V HN 0.473 nan 8.190 nan 0.000 0.447 889 L N 0.193 121.372 121.223 -0.073 0.000 2.554 889 L HA 0.254 4.816 4.340 0.369 0.000 0.226 889 L C 1.621 178.396 176.870 -0.159 0.000 1.137 889 L CA 0.720 55.474 54.840 -0.144 0.000 0.863 889 L CB -0.724 41.292 42.059 -0.073 0.000 0.985 889 L HN 0.567 nan 8.230 nan 0.000 0.451 890 G N 1.589 110.384 108.800 -0.009 0.000 2.273 890 G HA2 -0.296 3.885 3.960 0.369 0.000 0.280 890 G HA3 -0.296 3.885 3.960 0.369 0.000 0.280 890 G C 0.097 175.010 174.900 0.022 0.000 1.047 890 G CA -0.084 44.997 45.100 -0.033 0.000 0.869 890 G HN 0.347 nan 8.290 nan 0.000 0.502 891 I N 1.485 122.125 120.570 0.116 0.000 2.308 891 I HA 0.465 4.856 4.170 0.369 0.000 0.293 891 I C 1.325 177.562 176.117 0.200 0.000 1.078 891 I CA 0.271 61.691 61.300 0.201 0.000 1.292 891 I CB 0.747 38.882 38.000 0.225 0.000 1.423 891 I HN 0.213 nan 8.210 nan 0.000 0.493 892 G N 2.995 111.919 108.800 0.206 0.000 2.642 892 G HA2 0.269 4.451 3.960 0.369 0.000 0.291 892 G HA3 0.269 4.451 3.960 0.369 0.000 0.291 892 G C -0.066 174.913 174.900 0.132 0.000 1.345 892 G CA -0.297 44.905 45.100 0.170 0.000 1.043 892 G HN 0.646 nan 8.290 nan 0.000 0.528 893 D N -1.226 119.226 120.400 0.087 0.000 2.772 893 D HA -0.139 4.723 4.640 0.369 0.000 0.233 893 D C 0.379 176.623 176.300 -0.093 0.000 1.143 893 D CA 0.518 54.537 54.000 0.031 0.000 0.700 893 D CB -0.525 40.266 40.800 -0.014 0.000 1.076 893 D HN 0.287 nan 8.370 nan 0.000 0.430 894 R N 0.740 121.235 120.500 -0.008 0.000 2.441 894 R HA 0.563 5.124 4.340 0.369 0.000 0.284 894 R C 0.680 176.943 176.300 -0.060 0.000 1.070 894 R CA -0.142 55.923 56.100 -0.058 0.000 1.047 894 R CB 1.065 31.471 30.300 0.177 0.000 1.016 894 R HN 0.578 nan 8.270 nan 0.000 0.477 895 H N -2.751 116.340 119.070 0.035 0.000 2.883 895 H HA 0.156 4.933 4.556 0.369 0.000 0.277 895 H C 0.308 175.622 175.328 -0.023 0.000 1.451 895 H CA -0.488 55.560 56.048 0.000 0.000 1.157 895 H CB 0.084 29.837 29.762 -0.015 0.000 1.851 895 H HN 0.358 nan 8.280 nan 0.000 0.566 896 S N -1.525 114.317 115.700 0.236 0.000 2.522 896 S HA -0.079 4.613 4.470 0.369 0.000 0.227 896 S C 0.544 175.187 174.600 0.072 0.000 0.986 896 S CA 0.986 59.250 58.200 0.107 0.000 0.929 896 S CB -0.273 62.959 63.200 0.053 0.000 0.769 896 S HN 0.584 nan 8.310 nan 0.000 0.529 897 D N 2.649 123.174 120.400 0.208 0.000 2.289 897 D HA -0.007 4.854 4.640 0.369 0.000 0.207 897 D C 1.218 177.524 176.300 0.010 0.000 0.966 897 D CA 0.836 54.894 54.000 0.096 0.000 0.868 897 D CB -0.171 40.680 40.800 0.085 0.000 0.943 897 D HN 0.854 nan 8.370 nan 0.000 0.514 898 N N -0.032 118.638 118.700 -0.049 0.000 2.200 898 N HA 0.116 5.077 4.740 0.369 0.000 0.224 898 N C 0.077 175.363 175.510 -0.373 0.000 1.179 898 N CA -0.112 52.807 53.050 -0.218 0.000 0.877 898 N CB 1.138 39.465 38.487 -0.265 0.000 1.072 898 N HN 0.015 nan 8.380 nan 0.000 0.519 899 I N 1.503 121.849 120.570 -0.373 0.000 2.404 899 I HA 0.406 4.798 4.170 0.369 0.000 0.293 899 I C -0.317 175.488 176.117 -0.521 0.000 0.992 899 I CA -0.650 60.305 61.300 -0.575 0.000 1.149 899 I CB 1.857 39.595 38.000 -0.437 0.000 1.315 899 I HN -0.096 nan 8.210 nan 0.000 0.446 900 M N 6.440 125.568 119.600 -0.786 0.000 2.716 900 M HA 0.632 5.333 4.480 0.369 0.000 0.307 900 M C -1.265 174.662 176.300 -0.622 0.000 1.223 900 M CA -0.948 53.893 55.300 -0.765 0.000 0.871 900 M CB 2.842 34.803 32.600 -1.066 0.000 1.739 900 M HN 0.401 nan 8.290 nan 0.000 0.475 901 I N -1.162 119.221 120.570 -0.311 0.000 2.619 901 I HA 0.603 4.995 4.170 0.369 0.000 0.292 901 I C -0.829 175.409 176.117 0.202 0.000 1.100 901 I CA -0.787 60.494 61.300 -0.032 0.000 1.043 901 I CB 1.650 39.620 38.000 -0.050 0.000 1.239 901 I HN 0.564 nan 8.210 nan 0.000 0.420 902 R N 2.982 123.715 120.500 0.387 0.000 2.500 902 R HA 0.351 4.913 4.340 0.369 0.000 0.275 902 R C 0.381 176.974 176.300 0.489 0.000 1.051 902 R CA -0.566 55.796 56.100 0.436 0.000 1.088 902 R CB 1.240 31.746 30.300 0.344 0.000 1.063 902 R HN 0.747 nan 8.270 nan 0.000 0.511 903 E N 0.286 120.745 120.200 0.432 0.000 2.338 903 E HA -0.139 4.433 4.350 0.369 0.000 0.197 903 E C 1.511 178.184 176.600 0.121 0.000 1.007 903 E CA 1.229 57.760 56.400 0.217 0.000 0.849 903 E CB 0.146 29.866 29.700 0.033 0.000 0.774 903 E HN 0.578 nan 8.360 nan 0.000 0.506 904 S N -0.696 115.102 115.700 0.163 0.000 2.481 904 S HA 0.022 4.714 4.470 0.369 0.000 0.231 904 S C 1.721 176.426 174.600 0.175 0.000 0.996 904 S CA 0.694 58.973 58.200 0.131 0.000 0.942 904 S CB 0.223 63.496 63.200 0.122 0.000 0.768 904 S HN 0.390 nan 8.310 nan 0.000 0.520 905 G N 0.032 108.992 108.800 0.266 0.000 2.231 905 G HA2 -0.204 3.978 3.960 0.369 0.000 0.206 905 G HA3 -0.204 3.978 3.960 0.369 0.000 0.206 905 G C -0.150 174.953 174.900 0.338 0.000 0.996 905 G CA -0.162 45.134 45.100 0.327 0.000 0.645 905 G HN 0.568 nan 8.290 nan 0.000 0.498 906 Q N 0.499 120.453 119.800 0.257 0.000 2.289 906 Q HA 0.536 5.097 4.340 0.369 0.000 0.273 906 Q C 0.283 176.425 176.000 0.236 0.000 1.029 906 Q CA 0.019 55.951 55.803 0.216 0.000 0.896 906 Q CB 1.535 30.394 28.738 0.202 0.000 1.182 906 Q HN 0.559 nan 8.270 nan 0.000 0.385 907 L N 4.661 125.929 121.223 0.074 0.000 2.325 907 L HA 0.684 5.245 4.340 0.369 0.000 0.279 907 L C -1.061 175.825 176.870 0.027 0.000 1.054 907 L CA -0.572 54.215 54.840 -0.088 0.000 0.804 907 L CB 0.469 42.235 42.059 -0.489 0.000 1.200 907 L HN 0.682 nan 8.230 nan 0.000 0.436 908 F N 0.959 120.688 119.950 -0.368 0.000 2.711 908 F HA 0.549 5.297 4.527 0.368 0.000 0.313 908 F C -1.325 174.213 175.800 -0.437 0.000 1.141 908 F CA -1.051 56.564 58.000 -0.641 0.000 0.941 908 F CB 1.224 40.095 39.000 -0.214 0.000 1.349 908 F HN 0.370 nan 8.300 nan 0.000 0.464 909 H N 1.718 120.567 119.070 -0.369 0.000 2.529 909 H HA 0.761 5.539 4.556 0.369 0.000 0.348 909 H C -0.640 174.553 175.328 -0.225 0.000 1.152 909 H CA -0.622 55.266 56.048 -0.267 0.000 1.202 909 H CB 2.741 32.514 29.762 0.017 0.000 1.562 909 H HN 0.776 nan 8.280 nan 0.000 0.515 910 I N -1.853 118.504 120.570 -0.355 0.000 3.108 910 I HA 0.313 4.705 4.170 0.369 0.000 0.312 910 I C -0.755 175.064 176.117 -0.496 0.000 1.095 910 I CA -1.064 60.047 61.300 -0.316 0.000 1.000 910 I CB 2.233 40.114 38.000 -0.199 0.000 1.229 910 I HN 0.429 nan 8.210 nan 0.000 0.454 911 D N 2.230 122.435 120.400 -0.324 0.000 2.803 911 D HA -0.206 4.656 4.640 0.369 0.000 0.233 911 D C -1.024 175.158 176.300 -0.197 0.000 1.182 911 D CA 1.141 55.027 54.000 -0.191 0.000 0.726 911 D CB -1.182 39.563 40.800 -0.093 0.000 0.987 911 D HN 0.426 nan 8.370 nan 0.000 0.412 912 F N -0.491 119.527 119.950 0.113 0.000 2.424 912 F HA 0.518 5.267 4.527 0.370 0.000 0.356 912 F C 1.742 177.575 175.800 0.055 0.000 1.110 912 F CA -0.394 57.664 58.000 0.096 0.000 1.161 912 F CB 1.373 40.438 39.000 0.108 0.000 1.115 912 F HN 0.038 nan 8.300 nan 0.000 0.507 913 G N 1.035 109.993 108.800 0.262 0.000 3.342 913 G HA2 0.118 4.299 3.960 0.369 0.000 0.252 913 G HA3 0.118 4.299 3.960 0.369 0.000 0.252 913 G C -0.661 174.343 174.900 0.174 0.000 1.011 913 G CA 0.023 45.231 45.100 0.180 0.000 0.869 913 G HN 0.559 nan 8.290 nan 0.000 0.514 914 H N 0.156 119.252 119.070 0.043 0.000 2.589 914 H HA 0.665 5.442 4.556 0.369 0.000 0.351 914 H C -0.710 174.717 175.328 0.165 0.000 1.074 914 H CA -1.034 55.055 56.048 0.069 0.000 1.203 914 H CB 1.404 31.228 29.762 0.104 0.000 1.558 914 H HN 0.239 nan 8.280 nan 0.000 0.522 915 F N -0.010 119.946 119.950 0.011 0.000 2.779 915 F HA 0.337 5.086 4.527 0.370 0.000 0.316 915 F C -0.798 174.852 175.800 -0.250 0.000 1.164 915 F CA -1.658 56.295 58.000 -0.078 0.000 0.924 915 F CB 1.275 40.247 39.000 -0.047 0.000 1.348 915 F HN 0.393 nan 8.300 nan 0.000 0.467 916 L N 1.667 122.591 121.223 -0.498 0.000 3.781 916 L HA -0.261 4.300 4.340 0.369 0.000 0.426 916 L C 1.130 177.361 176.870 -1.065 0.000 1.197 916 L CA 1.066 55.277 54.840 -1.049 0.000 0.907 916 L CB -2.055 39.557 42.059 -0.745 0.000 1.812 916 L HN 1.397 nan 8.230 nan 0.000 0.956 917 G N -0.931 107.433 108.800 -0.727 0.000 2.245 917 G HA2 -0.366 3.816 3.960 0.369 0.000 0.264 917 G HA3 -0.366 3.816 3.960 0.369 0.000 0.264 917 G C 0.302 175.283 174.900 0.136 0.000 0.985 917 G CA 0.517 45.513 45.100 -0.173 0.000 0.625 917 G HN 0.660 nan 8.290 nan 0.000 0.536 918 N N 1.691 120.392 118.700 0.001 0.000 2.598 918 N HA 0.384 5.345 4.740 0.369 0.000 0.300 918 N C 0.855 176.421 175.510 0.094 0.000 1.224 918 N CA 0.113 53.128 53.050 -0.059 0.000 1.125 918 N CB -0.304 38.112 38.487 -0.118 0.000 1.468 918 N HN 0.620 nan 8.380 nan 0.000 0.504 930 V N 2.940 123.051 119.914 0.330 0.000 2.488 930 V HA 0.760 5.102 4.120 0.369 0.000 0.277 930 V C -1.794 174.452 176.094 0.254 0.000 1.046 930 V CA -1.255 61.187 62.300 0.236 0.000 0.986 930 V CB 0.623 32.586 31.823 0.233 0.000 0.989 930 V HN 0.622 nan 8.190 nan 0.000 0.475 931 P HA 0.233 nan 4.420 nan 0.000 0.274 931 P C -0.425 177.053 177.300 0.295 0.000 1.237 931 P CA -0.464 62.771 63.100 0.225 0.000 0.793 931 P CB 0.607 32.374 31.700 0.112 0.000 0.977 932 F N 1.631 121.647 119.950 0.110 0.000 2.563 932 F HA 0.124 4.873 4.527 0.370 0.000 0.363 932 F C 0.247 176.042 175.800 -0.010 0.000 1.123 932 F CA 0.313 58.301 58.000 -0.020 0.000 1.307 932 F CB 0.209 38.953 39.000 -0.426 0.000 1.115 932 F HN 0.060 nan 8.300 nan 0.000 0.592 933 I N 7.874 128.223 120.570 -0.368 0.000 2.382 933 I HA 0.275 4.667 4.170 0.369 0.000 0.286 933 I C -0.752 175.283 176.117 -0.136 0.000 1.002 933 I CA -0.531 60.683 61.300 -0.142 0.000 1.135 933 I CB 1.219 39.191 38.000 -0.048 0.000 1.288 933 I HN 0.490 nan 8.210 nan 0.000 0.448 934 L N 5.686 126.928 121.223 0.031 0.000 2.313 934 L HA 0.454 5.015 4.340 0.369 0.000 0.283 934 L C 0.158 177.066 176.870 0.064 0.000 1.013 934 L CA -0.362 54.552 54.840 0.122 0.000 0.816 934 L CB 2.037 44.190 42.059 0.157 0.000 1.236 934 L HN 0.509 nan 8.230 nan 0.000 0.419 935 T N 1.632 116.186 114.554 -0.000 0.000 2.767 935 T HA 0.093 4.664 4.350 0.369 0.000 0.284 935 T C 0.657 175.310 174.700 -0.080 0.000 0.973 935 T CA -0.207 61.769 62.100 -0.207 0.000 0.996 935 T CB 1.047 69.412 68.868 -0.837 0.000 0.927 935 T HN 0.443 nan 8.240 nan 0.000 0.456 936 Y N 3.336 123.603 120.300 -0.054 0.000 2.139 936 Y HA -0.267 4.505 4.550 0.369 0.000 0.282 936 Y C 1.851 177.775 175.900 0.040 0.000 1.179 936 Y CA 1.954 60.086 58.100 0.054 0.000 1.161 936 Y CB -0.069 38.512 38.460 0.202 0.000 0.970 936 Y HN 0.617 nan 8.280 nan 0.000 0.511 937 D N -0.979 119.395 120.400 -0.044 0.000 2.269 937 D HA -0.113 4.748 4.640 0.369 0.000 0.208 937 D C 1.770 178.187 176.300 0.195 0.000 0.963 937 D CA 0.987 54.975 54.000 -0.020 0.000 0.864 937 D CB -0.251 40.571 40.800 0.037 0.000 0.936 937 D HN 0.322 nan 8.370 nan 0.000 0.505 938 F N -0.123 119.898 119.950 0.119 0.000 2.219 938 F HA 0.015 4.763 4.527 0.369 0.000 0.294 938 F C 2.433 178.295 175.800 0.104 0.000 1.086 938 F CA 0.028 58.173 58.000 0.241 0.000 1.330 938 F CB -1.189 38.021 39.000 0.349 0.000 1.047 938 F HN -0.160 nan 8.300 nan 0.000 0.495 939 V N 0.109 120.142 119.914 0.199 0.000 2.332 939 V HA -0.340 4.002 4.120 0.369 0.000 0.248 939 V C 2.429 178.513 176.094 -0.015 0.000 1.055 939 V CA 2.442 64.796 62.300 0.089 0.000 1.038 939 V CB -0.964 30.904 31.823 0.075 0.000 0.651 939 V HN 0.374 nan 8.190 nan 0.000 0.450 940 H N -0.260 118.660 119.070 -0.249 0.000 2.353 940 H HA -0.120 4.657 4.556 0.369 0.000 0.300 940 H C 2.026 177.257 175.328 -0.162 0.000 1.090 940 H CA 2.003 57.877 56.048 -0.290 0.000 1.327 940 H CB -0.088 29.412 29.762 -0.437 0.000 1.383 940 H HN 0.205 nan 8.280 nan 0.000 0.508 941 V N 0.326 120.167 119.914 -0.123 0.000 2.515 941 V HA -0.201 4.141 4.120 0.369 0.000 0.250 941 V C 2.459 178.446 176.094 -0.179 0.000 1.058 941 V CA 1.754 63.890 62.300 -0.274 0.000 1.064 941 V CB -0.446 30.984 31.823 -0.655 0.000 0.675 941 V HN 0.443 nan 8.190 nan 0.000 0.461 942 I N -0.347 120.200 120.570 -0.038 0.000 2.315 942 I HA -0.237 4.155 4.170 0.369 0.000 0.248 942 I C 2.126 178.257 176.117 0.024 0.000 1.117 942 I CA 1.436 62.760 61.300 0.039 0.000 1.404 942 I CB -0.188 37.798 38.000 -0.023 0.000 1.071 942 I HN 0.340 nan 8.210 nan 0.000 0.419 943 Q N 0.723 120.502 119.800 -0.034 0.000 2.228 943 Q HA 0.056 4.618 4.340 0.369 0.000 0.211 943 Q C -0.234 175.688 176.000 -0.129 0.000 0.890 943 Q CA -0.041 55.734 55.803 -0.046 0.000 0.953 943 Q CB 0.294 29.000 28.738 -0.053 0.000 1.053 943 Q HN 0.405 nan 8.270 nan 0.000 0.471 944 Q N -1.072 118.643 119.800 -0.142 0.000 2.457 944 Q HA -0.286 4.275 4.340 0.369 0.000 0.283 944 Q C 0.668 176.537 176.000 -0.219 0.000 1.234 944 Q CA 0.362 56.081 55.803 -0.141 0.000 0.877 944 Q CB -2.016 26.684 28.738 -0.064 0.000 1.250 944 Q HN 0.745 nan 8.270 nan 0.000 0.481 945 G N -0.762 107.767 108.800 -0.452 0.000 2.179 945 G HA2 -0.342 3.839 3.960 0.369 0.000 0.260 945 G HA3 -0.342 3.839 3.960 0.369 0.000 0.260 945 G C -0.044 174.621 174.900 -0.392 0.000 0.977 945 G CA 0.562 45.296 45.100 -0.609 0.000 0.641 945 G HN 0.334 nan 8.290 nan 0.000 0.533 946 K N 0.229 120.465 120.400 -0.273 0.000 2.138 946 K HA 0.585 5.126 4.320 0.369 0.000 0.263 946 K C 1.342 177.892 176.600 -0.084 0.000 0.965 946 K CA -0.131 56.086 56.287 -0.118 0.000 0.868 946 K CB 1.337 33.794 32.500 -0.072 0.000 1.083 946 K HN 0.007 nan 8.250 nan 0.000 0.443 947 T N 0.998 115.537 114.554 -0.025 0.000 2.759 947 T HA -0.109 4.463 4.350 0.369 0.000 0.269 947 T C 0.362 175.050 174.700 -0.020 0.000 1.042 947 T CA 1.254 63.353 62.100 -0.003 0.000 1.140 947 T CB -0.143 68.719 68.868 -0.010 0.000 0.864 947 T HN 0.518 nan 8.240 nan 0.000 0.455 948 N N 1.912 120.597 118.700 -0.025 0.000 2.410 948 N HA 0.364 5.325 4.740 0.369 0.000 0.287 948 N C -1.435 174.070 175.510 -0.008 0.000 1.044 948 N CA -0.396 52.641 53.050 -0.021 0.000 0.881 948 N CB 1.656 40.135 38.487 -0.015 0.000 1.405 948 N HN 0.069 nan 8.380 nan 0.000 0.490 949 N N 0.599 119.304 118.700 0.009 0.000 2.946 949 N HA 0.010 4.971 4.740 0.369 0.000 0.213 949 N C -0.050 175.523 175.510 0.104 0.000 1.440 949 N CA -0.228 52.846 53.050 0.040 0.000 0.745 949 N CB 0.201 38.701 38.487 0.023 0.000 1.471 949 N HN 0.346 nan 8.380 nan 0.000 0.569 950 S N 0.028 115.788 115.700 0.100 0.000 2.496 950 S HA -0.053 4.639 4.470 0.369 0.000 0.224 950 S C 1.440 176.129 174.600 0.149 0.000 0.996 950 S CA 0.564 58.863 58.200 0.165 0.000 0.927 950 S CB 0.184 63.456 63.200 0.120 0.000 0.774 950 S HN 0.612 nan 8.310 nan 0.000 0.524 951 E N 1.825 122.082 120.200 0.095 0.000 2.031 951 E HA -0.182 4.390 4.350 0.369 0.000 0.193 951 E C 1.779 178.427 176.600 0.079 0.000 0.994 951 E CA 1.068 57.508 56.400 0.068 0.000 0.800 951 E CB -0.006 29.723 29.700 0.048 0.000 0.752 951 E HN 0.194 nan 8.360 nan 0.000 0.447 952 K N 0.103 120.566 120.400 0.105 0.000 2.057 952 K HA -0.131 4.410 4.320 0.369 0.000 0.206 952 K C 2.021 178.723 176.600 0.171 0.000 1.050 952 K CA 0.957 57.315 56.287 0.118 0.000 0.935 952 K CB -0.640 31.927 32.500 0.111 0.000 0.715 952 K HN 0.227 nan 8.250 nan 0.000 0.439 953 F N 2.584 122.594 119.950 0.100 0.000 2.234 953 F HA -0.127 4.622 4.527 0.369 0.000 0.299 953 F C 1.901 177.834 175.800 0.220 0.000 1.087 953 F CA 1.339 59.452 58.000 0.189 0.000 1.340 953 F CB 0.239 39.336 39.000 0.161 0.000 1.031 953 F HN -0.001 nan 8.300 nan 0.000 0.500 954 E N 0.168 120.432 120.200 0.107 0.000 2.170 954 E HA -0.066 4.505 4.350 0.369 0.000 0.191 954 E C 2.355 178.829 176.600 -0.211 0.000 0.981 954 E CA 0.408 56.774 56.400 -0.057 0.000 0.830 954 E CB -0.308 29.416 29.700 0.039 0.000 0.775 954 E HN 0.467 nan 8.360 nan 0.000 0.470 955 R N 0.127 120.511 120.500 -0.194 0.000 2.091 955 R HA -0.152 4.410 4.340 0.369 0.000 0.238 955 R C 2.306 178.177 176.300 -0.714 0.000 1.136 955 R CA 1.361 57.208 56.100 -0.422 0.000 0.959 955 R CB -0.539 29.575 30.300 -0.310 0.000 0.856 955 R HN 0.165 nan 8.270 nan 0.000 0.437 956 F N 1.806 121.452 119.950 -0.505 0.000 2.134 956 F HA -0.186 4.562 4.527 0.369 0.000 0.299 956 F C 2.538 178.154 175.800 -0.307 0.000 1.097 956 F CA 1.436 59.247 58.000 -0.314 0.000 1.264 956 F CB -0.256 38.665 39.000 -0.131 0.000 1.001 956 F HN -0.180 nan 8.300 nan 0.000 0.479 957 R N 0.428 120.541 120.500 -0.645 0.000 2.091 957 R HA -0.143 4.419 4.340 0.369 0.000 0.238 957 R C 2.496 178.436 176.300 -0.599 0.000 1.136 957 R CA 1.500 57.098 56.100 -0.836 0.000 0.959 957 R CB -1.231 28.580 30.300 -0.816 0.000 0.856 957 R HN 0.512 nan 8.270 nan 0.000 0.437 958 G N 0.069 108.588 108.800 -0.469 0.000 2.476 958 G HA2 -0.292 3.889 3.960 0.369 0.000 0.218 958 G HA3 -0.292 3.889 3.960 0.369 0.000 0.218 958 G C 1.031 175.797 174.900 -0.224 0.000 1.164 958 G CA 1.002 45.902 45.100 -0.335 0.000 0.768 958 G HN 0.320 nan 8.290 nan 0.000 0.560 959 Y N 0.594 120.747 120.300 -0.245 0.000 2.128 959 Y HA -0.123 4.649 4.550 0.369 0.000 0.284 959 Y C 3.229 178.955 175.900 -0.290 0.000 1.154 959 Y CA 0.212 58.167 58.100 -0.241 0.000 1.149 959 Y CB -1.316 37.030 38.460 -0.191 0.000 0.976 959 Y HN 0.229 nan 8.280 nan 0.000 0.505 960 C N -0.096 119.093 119.300 -0.185 0.000 2.413 960 C HA -0.186 4.495 4.460 0.369 0.000 0.276 960 C C 2.619 177.561 174.990 -0.081 0.000 1.236 960 C CA 1.035 59.998 59.018 -0.093 0.000 1.735 960 C CB -0.998 26.719 27.740 -0.039 0.000 2.031 960 C HN 0.561 nan 8.230 nan 0.000 0.474 961 E N 0.258 120.374 120.200 -0.140 0.000 2.077 961 E HA -0.192 4.380 4.350 0.369 0.000 0.193 961 E C 2.422 178.957 176.600 -0.109 0.000 0.989 961 E CA 1.030 57.342 56.400 -0.147 0.000 0.800 961 E CB -0.190 29.430 29.700 -0.133 0.000 0.746 961 E HN 0.560 nan 8.360 nan 0.000 0.452 962 R N 0.291 120.738 120.500 -0.089 0.000 2.091 962 R HA -0.138 4.423 4.340 0.369 0.000 0.238 962 R C 2.349 178.614 176.300 -0.058 0.000 1.136 962 R CA 1.282 57.346 56.100 -0.059 0.000 0.959 962 R CB -0.279 29.994 30.300 -0.044 0.000 0.856 962 R HN 0.109 nan 8.270 nan 0.000 0.437 963 A N -0.016 122.713 122.820 -0.151 0.000 1.902 963 A HA -0.216 4.325 4.320 0.369 0.000 0.217 963 A C 1.972 179.703 177.584 0.246 0.000 1.181 963 A CA 1.235 53.158 52.037 -0.190 0.000 0.623 963 A CB -0.666 17.959 19.000 -0.624 0.000 0.818 963 A HN 0.480 nan 8.150 nan 0.000 0.443 964 Y N 1.841 122.087 120.300 -0.091 0.000 2.220 964 Y HA -0.177 4.595 4.550 0.369 0.000 0.291 964 Y C 2.822 178.649 175.900 -0.122 0.000 1.129 964 Y CA 2.262 60.252 58.100 -0.183 0.000 1.161 964 Y CB -0.673 37.327 38.460 -0.767 0.000 0.997 964 Y HN 0.439 nan 8.280 nan 0.000 0.522 965 T N -1.555 112.885 114.554 -0.189 0.000 2.821 965 T HA -0.174 4.397 4.350 0.369 0.000 0.267 965 T C 1.993 176.631 174.700 -0.102 0.000 1.046 965 T CA 1.689 63.669 62.100 -0.201 0.000 1.139 965 T CB -0.843 67.973 68.868 -0.087 0.000 0.871 965 T HN 0.406 nan 8.240 nan 0.000 0.454 966 I N 0.989 121.590 120.570 0.051 0.000 2.226 966 I HA -0.078 4.313 4.170 0.369 0.000 0.245 966 I C 2.559 178.773 176.117 0.163 0.000 1.100 966 I CA 1.150 62.550 61.300 0.166 0.000 1.374 966 I CB -0.404 37.813 38.000 0.362 0.000 1.057 966 I HN 0.206 nan 8.210 nan 0.000 0.413 967 L N 0.133 121.422 121.223 0.110 0.000 2.046 967 L HA -0.201 4.361 4.340 0.369 0.000 0.208 967 L C 2.756 179.586 176.870 -0.066 0.000 1.077 967 L CA 1.375 56.223 54.840 0.013 0.000 0.747 967 L CB -0.671 41.315 42.059 -0.122 0.000 0.896 967 L HN 0.207 nan 8.230 nan 0.000 0.432 968 R N 0.051 120.414 120.500 -0.229 0.000 2.105 968 R HA -0.165 4.396 4.340 0.369 0.000 0.239 968 R C 2.339 178.563 176.300 -0.126 0.000 1.135 968 R CA 1.302 57.267 56.100 -0.224 0.000 0.967 968 R CB -0.291 29.817 30.300 -0.320 0.000 0.861 968 R HN 0.368 nan 8.270 nan 0.000 0.442 969 R N -0.532 119.891 120.500 -0.128 0.000 2.237 969 R HA -0.088 4.473 4.340 0.369 0.000 0.219 969 R C 0.581 176.684 176.300 -0.328 0.000 1.080 969 R CA 1.016 56.983 56.100 -0.222 0.000 0.995 969 R CB -0.042 30.092 30.300 -0.276 0.000 0.875 969 R HN 0.446 nan 8.270 nan 0.000 0.462 970 H N -1.776 117.317 119.070 0.038 0.000 2.486 970 H HA 0.191 4.968 4.556 0.369 0.000 0.284 970 H C 1.543 176.973 175.328 0.169 0.000 1.103 970 H CA -0.050 56.048 56.048 0.084 0.000 1.089 970 H CB 0.860 30.689 29.762 0.112 0.000 1.603 970 H HN 0.218 nan 8.280 nan 0.000 0.557 971 G N 0.729 109.616 108.800 0.145 0.000 2.440 971 G HA2 -0.242 3.939 3.960 0.369 0.000 0.218 971 G HA3 -0.242 3.939 3.960 0.369 0.000 0.218 971 G C 1.509 176.450 174.900 0.068 0.000 1.154 971 G CA 0.573 45.739 45.100 0.110 0.000 0.767 971 G HN 0.363 nan 8.290 nan 0.000 0.552 972 L N -0.390 120.806 121.223 -0.045 0.000 2.131 972 L HA -0.050 4.512 4.340 0.369 0.000 0.210 972 L C 2.677 179.364 176.870 -0.304 0.000 1.092 972 L CA 0.381 55.079 54.840 -0.237 0.000 0.759 972 L CB -0.337 41.572 42.059 -0.250 0.000 0.903 972 L HN 0.243 nan 8.230 nan 0.000 0.435 973 L N -0.627 120.535 121.223 -0.101 0.000 2.027 973 L HA -0.164 4.397 4.340 0.369 0.000 0.206 973 L C 2.282 179.039 176.870 -0.188 0.000 1.074 973 L CA 1.815 56.550 54.840 -0.174 0.000 0.745 973 L CB -0.579 41.352 42.059 -0.214 0.000 0.898 973 L HN -0.004 nan 8.230 nan 0.000 0.433 974 F N -0.582 119.354 119.950 -0.023 0.000 2.095 974 F HA -0.228 4.520 4.527 0.369 0.000 0.298 974 F C 2.324 178.211 175.800 0.145 0.000 1.104 974 F CA 1.591 59.641 58.000 0.083 0.000 1.232 974 F CB -0.785 38.244 39.000 0.048 0.000 0.987 974 F HN 0.008 nan 8.300 nan 0.000 0.475 975 L N -0.747 120.586 121.223 0.183 0.000 1.990 975 L HA -0.315 4.246 4.340 0.369 0.000 0.213 975 L C 2.445 179.402 176.870 0.146 0.000 1.072 975 L CA 1.918 56.814 54.840 0.092 0.000 0.755 975 L CB -0.981 41.052 42.059 -0.043 0.000 0.889 975 L HN 0.272 nan 8.230 nan 0.000 0.432 976 H N -0.772 118.334 119.070 0.060 0.000 2.353 976 H HA -0.138 4.640 4.556 0.369 0.000 0.300 976 H C 2.375 177.694 175.328 -0.016 0.000 1.090 976 H CA 0.954 57.006 56.048 0.007 0.000 1.327 976 H CB 0.070 29.797 29.762 -0.058 0.000 1.383 976 H HN 0.242 nan 8.280 nan 0.000 0.508 977 L N -0.444 120.818 121.223 0.065 0.000 2.056 977 L HA -0.168 4.393 4.340 0.369 0.000 0.207 977 L C 1.911 178.739 176.870 -0.069 0.000 1.078 977 L CA 0.967 55.762 54.840 -0.075 0.000 0.749 977 L CB -0.334 41.601 42.059 -0.206 0.000 0.901 977 L HN 0.226 nan 8.230 nan 0.000 0.433 978 F N 0.045 120.002 119.950 0.011 0.000 2.186 978 F HA -0.165 4.583 4.527 0.369 0.000 0.299 978 F C 2.606 178.422 175.800 0.027 0.000 1.090 978 F CA 1.099 59.107 58.000 0.012 0.000 1.307 978 F CB -0.696 38.300 39.000 -0.006 0.000 1.019 978 F HN 0.002 nan 8.300 nan 0.000 0.489 979 A N 0.397 123.344 122.820 0.212 0.000 1.892 979 A HA -0.208 4.333 4.320 0.369 0.000 0.218 979 A C 2.224 179.894 177.584 0.144 0.000 1.188 979 A CA 1.842 53.974 52.037 0.159 0.000 0.631 979 A CB -1.177 17.921 19.000 0.163 0.000 0.822 979 A HN 0.411 nan 8.150 nan 0.000 0.447 980 L N -1.489 119.798 121.223 0.106 0.000 2.141 980 L HA -0.142 4.420 4.340 0.369 0.000 0.209 980 L C 2.605 179.481 176.870 0.010 0.000 1.094 980 L CA 0.707 55.608 54.840 0.102 0.000 0.763 980 L CB -0.470 41.610 42.059 0.035 0.000 0.908 980 L HN 0.292 nan 8.230 nan 0.000 0.437 981 M N -0.271 119.305 119.600 -0.040 0.000 2.358 981 M HA -0.143 4.559 4.480 0.369 0.000 0.264 981 M C 2.187 178.464 176.300 -0.039 0.000 1.064 981 M CA 1.429 56.676 55.300 -0.087 0.000 1.093 981 M CB -1.007 31.506 32.600 -0.145 0.000 1.401 981 M HN 0.164 nan 8.290 nan 0.000 0.440 982 R N -0.427 120.094 120.500 0.035 0.000 2.249 982 R HA -0.090 4.471 4.340 0.369 0.000 0.230 982 R C 1.983 178.269 176.300 -0.023 0.000 1.121 982 R CA 1.137 57.263 56.100 0.043 0.000 0.997 982 R CB -0.440 29.919 30.300 0.097 0.000 0.867 982 R HN 0.375 nan 8.270 nan 0.000 0.465 983 A N 0.702 123.439 122.820 -0.138 0.000 2.119 983 A HA 0.030 4.571 4.320 0.369 0.000 0.217 983 A C 2.194 179.588 177.584 -0.315 0.000 1.153 983 A CA 1.217 52.979 52.037 -0.458 0.000 0.692 983 A CB -0.212 18.120 19.000 -1.114 0.000 0.799 983 A HN 0.355 nan 8.150 nan 0.000 0.458 984 A N -1.443 121.258 122.820 -0.198 0.000 2.066 984 A HA 0.352 4.893 4.320 0.369 0.000 0.218 984 A C 2.014 179.522 177.584 -0.127 0.000 1.157 984 A CA 1.390 53.337 52.037 -0.151 0.000 0.670 984 A CB -0.893 18.042 19.000 -0.108 0.000 0.804 984 A HN 1.799 nan 8.150 nan 0.000 0.453 985 G N -1.740 106.991 108.800 -0.115 0.000 2.148 985 G HA2 -0.205 3.976 3.960 0.369 0.000 0.254 985 G HA3 -0.205 3.976 3.960 0.369 0.000 0.254 985 G C -0.046 174.817 174.900 -0.063 0.000 0.981 985 G CA 0.237 45.278 45.100 -0.097 0.000 0.670 985 G HN 0.415 nan 8.290 nan 0.000 0.528 986 L N 0.579 121.776 121.223 -0.043 0.000 2.601 986 L HA 0.226 4.787 4.340 0.369 0.000 0.277 986 L C -0.350 176.508 176.870 -0.021 0.000 1.219 986 L CA -0.412 54.410 54.840 -0.031 0.000 0.915 986 L CB 0.461 42.517 42.059 -0.005 0.000 1.160 986 L HN -0.061 nan 8.230 nan 0.000 0.494 987 P HA -0.109 nan 4.420 nan 0.000 0.225 987 P C 0.582 177.863 177.300 -0.032 0.000 1.148 987 P CA 1.027 64.101 63.100 -0.044 0.000 0.779 987 P CB 0.265 31.928 31.700 -0.061 0.000 0.780 988 E N -1.401 118.797 120.200 -0.003 0.000 2.463 988 E HA 0.118 4.689 4.350 0.369 0.000 0.193 988 E C -0.166 176.566 176.600 0.220 0.000 1.041 988 E CA -0.092 56.359 56.400 0.085 0.000 0.879 988 E CB 0.143 29.887 29.700 0.074 0.000 0.997 988 E HN 0.037 nan 8.360 nan 0.000 0.478 989 L N 0.367 121.683 121.223 0.156 0.000 2.488 989 L HA 0.245 4.806 4.340 0.369 0.000 0.250 989 L C -0.096 176.808 176.870 0.057 0.000 1.280 989 L CA 0.084 55.011 54.840 0.145 0.000 0.929 989 L CB 0.941 43.139 42.059 0.233 0.000 1.200 989 L HN -0.185 nan 8.230 nan 0.000 0.495 990 S N -0.405 115.309 115.700 0.023 0.000 2.554 990 S HA 0.277 4.968 4.470 0.369 0.000 0.227 990 S C 0.473 175.060 174.600 -0.020 0.000 1.050 990 S CA 0.306 58.499 58.200 -0.013 0.000 0.927 990 S CB 0.333 63.516 63.200 -0.028 0.000 0.859 990 S HN 0.692 nan 8.310 nan 0.000 0.494 991 C N -0.631 118.665 119.300 -0.008 0.000 3.276 991 C HA 0.681 5.363 4.460 0.369 0.000 0.370 991 C C 1.514 176.503 174.990 -0.002 0.000 1.624 991 C CA -0.392 58.618 59.018 -0.013 0.000 1.179 991 C CB 0.761 28.488 27.740 -0.021 0.000 1.909 991 C HN 0.093 nan 8.230 nan 0.000 0.434 992 S N 0.788 116.484 115.700 -0.006 0.000 2.406 992 S HA -0.087 4.604 4.470 0.369 0.000 0.228 992 S C 1.752 176.353 174.600 0.002 0.000 1.020 992 S CA 1.079 59.278 58.200 -0.003 0.000 0.965 992 S CB -0.279 62.917 63.200 -0.008 0.000 0.798 992 S HN 0.707 nan 8.310 nan 0.000 0.488 993 K N 1.855 122.259 120.400 0.006 0.000 2.160 993 K HA -0.103 4.438 4.320 0.369 0.000 0.206 993 K C 1.348 177.971 176.600 0.039 0.000 1.047 993 K CA 1.155 57.456 56.287 0.022 0.000 0.930 993 K CB -0.652 31.863 32.500 0.025 0.000 0.720 993 K HN 0.404 nan 8.250 nan 0.000 0.450 994 D N 0.705 121.114 120.400 0.014 0.000 2.103 994 D HA -0.079 4.782 4.640 0.369 0.000 0.199 994 D C 1.968 178.241 176.300 -0.045 0.000 0.978 994 D CA 0.643 54.633 54.000 -0.016 0.000 0.829 994 D CB -0.059 40.723 40.800 -0.029 0.000 0.981 994 D HN 0.068 nan 8.370 nan 0.000 0.464 995 I N 0.968 121.517 120.570 -0.034 0.000 2.286 995 I HA -0.212 4.179 4.170 0.369 0.000 0.248 995 I C 2.367 178.453 176.117 -0.051 0.000 1.115 995 I CA 0.904 62.171 61.300 -0.055 0.000 1.392 995 I CB -0.963 37.034 38.000 -0.005 0.000 1.065 995 I HN 0.004 nan 8.210 nan 0.000 0.418 996 Q N 0.553 120.342 119.800 -0.017 0.000 2.226 996 Q HA -0.238 4.323 4.340 0.369 0.000 0.204 996 Q C 2.165 178.143 176.000 -0.035 0.000 0.975 996 Q CA 1.530 57.319 55.803 -0.024 0.000 0.866 996 Q CB -0.622 28.111 28.738 -0.008 0.000 0.915 996 Q HN 0.553 nan 8.270 nan 0.000 0.440 997 Y N -0.301 119.925 120.300 -0.124 0.000 2.114 997 Y HA -0.210 4.562 4.550 0.370 0.000 0.284 997 Y C 1.814 177.600 175.900 -0.189 0.000 1.143 997 Y CA 1.746 59.761 58.100 -0.140 0.000 1.135 997 Y CB -0.127 38.235 38.460 -0.164 0.000 0.980 997 Y HN 0.139 nan 8.280 nan 0.000 0.499 998 L N 0.180 121.377 121.223 -0.042 0.000 2.042 998 L HA -0.300 4.262 4.340 0.369 0.000 0.210 998 L C 2.411 179.191 176.870 -0.150 0.000 1.076 998 L CA 1.726 56.464 54.840 -0.171 0.000 0.749 998 L CB -0.464 41.404 42.059 -0.318 0.000 0.893 998 L HN 0.281 nan 8.230 nan 0.000 0.432 999 K N -0.358 119.970 120.400 -0.119 0.000 2.074 999 K HA -0.218 4.324 4.320 0.369 0.000 0.209 999 K C 1.627 178.164 176.600 -0.104 0.000 1.048 999 K CA 1.753 57.982 56.287 -0.097 0.000 0.926 999 K CB -0.198 32.256 32.500 -0.077 0.000 0.713 999 K HN 0.369 nan 8.250 nan 0.000 0.444 1000 D N -0.015 120.297 120.400 -0.146 0.000 2.162 1000 D HA -0.092 4.769 4.640 0.369 0.000 0.203 1000 D C 2.120 178.352 176.300 -0.113 0.000 0.967 1000 D CA 1.359 55.267 54.000 -0.153 0.000 0.840 1000 D CB -0.144 40.524 40.800 -0.219 0.000 0.972 1000 D HN 0.181 nan 8.370 nan 0.000 0.482 1001 S N 0.347 115.934 115.700 -0.187 0.000 2.368 1001 S HA -0.062 4.630 4.470 0.369 0.000 0.224 1001 S C 1.946 176.627 174.600 0.135 0.000 1.029 1001 S CA 0.541 58.653 58.200 -0.146 0.000 0.988 1001 S CB -0.550 62.462 63.200 -0.312 0.000 0.838 1001 S HN 0.207 nan 8.310 nan 0.000 0.462 1002 L N 1.601 122.847 121.223 0.038 0.000 2.612 1002 L HA 0.363 4.924 4.340 0.369 0.000 0.230 1002 L C 1.375 178.269 176.870 0.039 0.000 1.140 1002 L CA 0.140 54.996 54.840 0.027 0.000 0.896 1002 L CB -0.804 41.177 42.059 -0.130 0.000 1.065 1002 L HN 0.482 nan 8.230 nan 0.000 0.447 1003 A N 0.529 123.398 122.820 0.081 0.000 2.409 1003 A HA -0.231 4.310 4.320 0.369 0.000 0.290 1003 A C 1.500 179.067 177.584 -0.029 0.000 1.440 1003 A CA 0.501 52.547 52.037 0.015 0.000 0.775 1003 A CB -1.431 17.615 19.000 0.077 0.000 1.069 1003 A HN 0.407 nan 8.150 nan 0.000 0.389 1004 L N -0.726 120.465 121.223 -0.053 0.000 2.376 1004 L HA -0.080 4.481 4.340 0.369 0.000 0.219 1004 L C 2.252 179.091 176.870 -0.053 0.000 1.133 1004 L CA 1.959 56.762 54.840 -0.062 0.000 0.816 1004 L CB -0.733 41.286 42.059 -0.067 0.000 0.933 1004 L HN 0.763 nan 8.230 nan 0.000 0.449 1005 G N -0.341 108.428 108.800 -0.053 0.000 3.026 1005 G HA2 -0.025 4.156 3.960 0.369 0.000 0.208 1005 G HA3 -0.025 4.156 3.960 0.369 0.000 0.208 1005 G C 0.721 175.597 174.900 -0.040 0.000 1.169 1005 G CA -0.089 44.983 45.100 -0.047 0.000 0.788 1005 G HN 0.283 nan 8.290 nan 0.000 0.533 1006 K N -0.325 120.054 120.400 -0.037 0.000 2.316 1006 K HA 0.510 5.052 4.320 0.369 0.000 0.234 1006 K C 0.099 176.689 176.600 -0.017 0.000 1.054 1006 K CA -0.678 55.594 56.287 -0.024 0.000 0.879 1006 K CB 0.997 33.486 32.500 -0.018 0.000 1.252 1006 K HN 0.064 nan 8.250 nan 0.000 0.471 1007 T N -2.286 112.264 114.554 -0.007 0.000 2.904 1007 T HA 0.053 4.625 4.350 0.369 0.000 0.290 1007 T C 1.155 175.856 174.700 0.002 0.000 1.018 1007 T CA -0.449 61.648 62.100 -0.005 0.000 1.075 1007 T CB 1.339 70.207 68.868 0.001 0.000 0.986 1007 T HN 0.752 nan 8.240 nan 0.000 0.523 1008 E N 0.458 120.654 120.200 -0.007 0.000 2.147 1008 E HA -0.289 4.283 4.350 0.369 0.000 0.199 1008 E C 1.752 178.367 176.600 0.025 0.000 1.005 1008 E CA 1.698 58.097 56.400 -0.002 0.000 0.810 1008 E CB -0.054 29.635 29.700 -0.018 0.000 0.736 1008 E HN 0.825 nan 8.360 nan 0.000 0.460 1009 E N 0.500 120.713 120.200 0.022 0.000 2.072 1009 E HA -0.175 4.397 4.350 0.369 0.000 0.191 1009 E C 1.775 178.406 176.600 0.051 0.000 0.985 1009 E CA 1.529 57.947 56.400 0.030 0.000 0.801 1009 E CB 0.065 29.777 29.700 0.020 0.000 0.750 1009 E HN 0.356 nan 8.360 nan 0.000 0.452 1010 E N -0.391 119.839 120.200 0.050 0.000 2.047 1010 E HA -0.139 4.432 4.350 0.369 0.000 0.191 1010 E C 2.045 178.717 176.600 0.121 0.000 0.987 1010 E CA 0.914 57.354 56.400 0.067 0.000 0.799 1010 E CB -0.197 29.527 29.700 0.040 0.000 0.752 1010 E HN 0.309 nan 8.360 nan 0.000 0.449 1011 A N 1.151 124.046 122.820 0.124 0.000 1.933 1011 A HA -0.171 4.371 4.320 0.369 0.000 0.218 1011 A C 2.132 179.910 177.584 0.323 0.000 1.175 1011 A CA 0.979 53.149 52.037 0.223 0.000 0.628 1011 A CB -0.443 18.663 19.000 0.177 0.000 0.814 1011 A HN 0.180 nan 8.150 nan 0.000 0.444 1012 L N -0.186 121.171 121.223 0.223 0.000 2.093 1012 L HA -0.095 4.467 4.340 0.369 0.000 0.208 1012 L C 2.281 179.255 176.870 0.174 0.000 1.085 1012 L CA 2.555 57.520 54.840 0.209 0.000 0.755 1012 L CB -0.636 41.490 42.059 0.111 0.000 0.904 1012 L HN 0.429 nan 8.230 nan 0.000 0.435 1013 K N -1.190 119.289 120.400 0.133 0.000 2.026 1013 K HA -0.258 4.283 4.320 0.369 0.000 0.208 1013 K C 2.253 178.912 176.600 0.098 0.000 1.048 1013 K CA 1.965 58.305 56.287 0.089 0.000 0.929 1013 K CB -0.574 31.973 32.500 0.078 0.000 0.713 1013 K HN 0.506 nan 8.250 nan 0.000 0.439 1014 H N -0.669 118.442 119.070 0.070 0.000 2.251 1014 H HA -0.166 4.611 4.556 0.369 0.000 0.294 1014 H C 1.727 177.081 175.328 0.043 0.000 1.078 1014 H CA 2.595 58.683 56.048 0.067 0.000 1.246 1014 H CB -0.760 29.066 29.762 0.107 0.000 1.358 1014 H HN 0.258 nan 8.280 nan 0.000 0.488 1015 F N 1.279 121.165 119.950 -0.107 0.000 2.115 1015 F HA -0.265 4.483 4.527 0.369 0.000 0.300 1015 F C 2.584 178.170 175.800 -0.357 0.000 1.092 1015 F CA 2.067 59.849 58.000 -0.362 0.000 1.245 1015 F CB -0.369 38.359 39.000 -0.452 0.000 0.995 1015 F HN 0.091 nan 8.300 nan 0.000 0.481 1016 R N -0.575 119.816 120.500 -0.183 0.000 2.096 1016 R HA -0.136 4.425 4.340 0.369 0.000 0.235 1016 R C 2.214 178.378 176.300 -0.226 0.000 1.127 1016 R CA 1.520 57.481 56.100 -0.232 0.000 0.968 1016 R CB -0.722 29.519 30.300 -0.098 0.000 0.861 1016 R HN 0.252 nan 8.270 nan 0.000 0.440 1017 V N 1.572 121.363 119.914 -0.205 0.000 2.295 1017 V HA -0.276 4.065 4.120 0.369 0.000 0.246 1017 V C 2.231 178.185 176.094 -0.233 0.000 1.049 1017 V CA 1.695 63.891 62.300 -0.173 0.000 1.024 1017 V CB -0.335 31.399 31.823 -0.148 0.000 0.648 1017 V HN 0.285 nan 8.190 nan 0.000 0.447 1018 K N -0.690 119.484 120.400 -0.377 0.000 2.026 1018 K HA -0.197 4.345 4.320 0.369 0.000 0.208 1018 K C 2.123 178.456 176.600 -0.444 0.000 1.048 1018 K CA 1.864 57.912 56.287 -0.400 0.000 0.929 1018 K CB -0.691 31.486 32.500 -0.539 0.000 0.713 1018 K HN 0.486 nan 8.250 nan 0.000 0.439 1019 F N 3.189 122.610 119.950 -0.882 0.000 2.069 1019 F HA -0.255 4.493 4.527 0.369 0.000 0.298 1019 F C 2.005 177.601 175.800 -0.339 0.000 1.113 1019 F CA 1.504 58.968 58.000 -0.893 0.000 1.214 1019 F CB -0.241 38.079 39.000 -1.133 0.000 0.978 1019 F HN 0.059 nan 8.300 nan 0.000 0.474 1020 N N 0.837 119.557 118.700 0.033 0.000 2.036 1020 N HA -0.233 4.729 4.740 0.369 0.000 0.195 1020 N C 1.769 177.255 175.510 -0.040 0.000 1.037 1020 N CA 1.995 55.075 53.050 0.050 0.000 0.855 1020 N CB -0.718 37.787 38.487 0.030 0.000 1.033 1020 N HN 0.509 nan 8.380 nan 0.000 0.423 1021 E N 0.492 120.639 120.200 -0.089 0.000 2.118 1021 E HA -0.127 4.444 4.350 0.369 0.000 0.195 1021 E C 1.925 178.489 176.600 -0.060 0.000 0.992 1021 E CA 1.018 57.375 56.400 -0.070 0.000 0.804 1021 E CB -0.087 29.567 29.700 -0.078 0.000 0.741 1021 E HN 0.386 nan 8.360 nan 0.000 0.458 1022 A N 1.327 124.093 122.820 -0.089 0.000 1.858 1022 A HA -0.192 4.349 4.320 0.369 0.000 0.216 1022 A C 2.170 179.731 177.584 -0.039 0.000 1.190 1022 A CA 1.175 53.187 52.037 -0.041 0.000 0.617 1022 A CB -0.687 18.337 19.000 0.040 0.000 0.827 1022 A HN 0.243 nan 8.150 nan 0.000 0.443 1023 L N 0.297 121.475 121.223 -0.074 0.000 2.043 1023 L HA -0.226 4.336 4.340 0.369 0.000 0.212 1023 L C 2.515 179.391 176.870 0.010 0.000 1.075 1023 L CA 2.164 57.006 54.840 0.003 0.000 0.752 1023 L CB -0.636 41.455 42.059 0.053 0.000 0.891 1023 L HN 0.390 nan 8.230 nan 0.000 0.432 1024 R N -0.706 119.791 120.500 -0.005 0.000 2.091 1024 R HA -0.218 4.344 4.340 0.369 0.000 0.238 1024 R C 2.197 178.488 176.300 -0.015 0.000 1.136 1024 R CA 1.536 57.631 56.100 -0.008 0.000 0.959 1024 R CB -0.537 29.753 30.300 -0.017 0.000 0.856 1024 R HN 0.393 nan 8.270 nan 0.000 0.437 1025 E N 1.426 121.611 120.200 -0.025 0.000 2.085 1025 E HA -0.099 4.472 4.350 0.369 0.000 0.194 1025 E C 0.320 176.893 176.600 -0.046 0.000 0.994 1025 E CA 0.723 57.095 56.400 -0.046 0.000 0.801 1025 E CB -0.113 29.563 29.700 -0.041 0.000 0.743 1025 E HN 0.063 nan 8.360 nan 0.000 0.453 1026 S N 0.210 115.920 115.700 0.016 0.000 2.596 1026 S HA -0.075 4.617 4.470 0.369 0.000 0.298 1026 S C -0.525 174.148 174.600 0.121 0.000 1.255 1026 S CA -0.128 58.132 58.200 0.100 0.000 1.083 1026 S CB -0.434 62.869 63.200 0.171 0.000 0.837 1026 S HN 0.282 nan 8.310 nan 0.000 0.499 1027 W N 0.000 121.212 121.300 -0.147 0.000 2.388 1027 W HA 0.000 4.881 4.660 0.369 0.000 0.303 1027 W CA 0.000 57.188 57.345 -0.263 0.000 1.226 1027 W CB 0.000 29.121 29.460 -0.566 0.000 1.126 1027 W HN 0.000 nan 8.180 nan 0.000 0.535