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 1gw7_1_F DATA FIRST_RESID 3014 DATA SEQUENCE ALRNQQAMAA NLQARQIVLQ QSYPVIQQVE TQTFDPANRS VFDVTPANVG DATA SEQUENCE IVKGFLVKVT AAITNNHATE AVALTDFGPA NLVQRVIYYD PDNQRHTETS DATA SEQUENCE GWHLHFVNTA KQGAPFLSSM VTDSPIKYGD VMNVIDAPAT IAAGATGELT DATA SEQUENCE MYYWVPLAYS ETDLTGAVLA NVPQSKQRLK LEFANNNTAF AAVGANPLEA DATA SEQUENCE IYQGAGAADC EFEEISYTVY QSYLDQLPVG QNGYILPLID LSTLYNLENS DATA SEQUENCE AQAGLTPNVD FVVQYANLYR YLSTIAVFDN GGSFNAGTDI NYLSQRTANF DATA SEQUENCE SDTRKLDPKT WAAQTRRRIA TDFPKGVYYC DNRDKPIYTL QYGNVGFVVN DATA SEQUENCE PKTVNQNARL LMGYEYFTSR TE 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 3014 A HA 0.000 nan 4.320 nan 0.000 0.244 3014 A C 0.000 177.584 177.584 0.000 0.000 1.274 3014 A CA 0.000 52.038 52.037 0.001 0.000 0.836 3014 A CB 0.000 19.001 19.000 0.001 0.000 0.831 3015 L N 0.723 121.946 121.223 -0.000 0.000 2.718 3015 L HA 0.607 4.947 4.340 -0.000 0.000 0.242 3015 L C 2.170 179.039 176.870 -0.002 0.000 1.203 3015 L CA 1.797 56.636 54.840 -0.001 0.000 1.011 3015 L CB -2.769 39.290 42.059 -0.001 0.000 1.250 3015 L HN 1.250 nan 8.230 nan 0.000 0.437 3016 R N 0.642 121.141 120.500 -0.001 0.000 2.119 3016 R HA -0.114 4.226 4.340 -0.000 0.000 0.222 3016 R C 1.981 178.279 176.300 -0.004 0.000 1.088 3016 R CA 1.597 57.696 56.100 -0.002 0.000 0.984 3016 R CB -1.211 29.089 30.300 -0.000 0.000 0.884 3016 R HN 1.012 nan 8.270 nan 0.000 0.447 3017 N N -0.660 118.038 118.700 -0.005 0.000 2.333 3017 N HA -0.120 4.620 4.740 -0.000 0.000 0.178 3017 N C 1.810 177.314 175.510 -0.011 0.000 1.018 3017 N CA 1.197 54.242 53.050 -0.009 0.000 0.882 3017 N CB -0.251 38.230 38.487 -0.009 0.000 0.984 3017 N HN 0.595 nan 8.380 nan 0.000 0.434 3018 Q N -0.038 119.757 119.800 -0.009 0.000 2.124 3018 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 3018 Q C 1.739 177.734 176.000 -0.009 0.000 0.977 3018 Q CA 1.505 57.303 55.803 -0.009 0.000 0.850 3018 Q CB -0.011 28.724 28.738 -0.006 0.000 0.901 3018 Q HN 0.620 nan 8.270 nan 0.000 0.429 3019 Q N -0.929 118.866 119.800 -0.007 0.000 2.187 3019 Q HA -0.028 4.312 4.340 -0.000 0.000 0.199 3019 Q C 1.943 177.939 176.000 -0.007 0.000 0.957 3019 Q CA 0.917 56.716 55.803 -0.006 0.000 0.857 3019 Q CB 0.037 28.773 28.738 -0.003 0.000 0.929 3019 Q HN 0.372 nan 8.270 nan 0.000 0.453 3020 A N 0.836 123.651 122.820 -0.009 0.000 1.898 3020 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 3020 A C 2.055 179.628 177.584 -0.018 0.000 1.181 3020 A CA 1.093 53.123 52.037 -0.012 0.000 0.620 3020 A CB -0.298 18.694 19.000 -0.013 0.000 0.819 3020 A HN 0.209 nan 8.150 nan 0.000 0.442 3021 M N -0.308 119.279 119.600 -0.022 0.000 2.086 3021 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 3021 M C 2.530 178.816 176.300 -0.023 0.000 1.067 3021 M CA 1.684 56.967 55.300 -0.029 0.000 1.116 3021 M CB -1.463 31.119 32.600 -0.029 0.000 1.348 3021 M HN 0.490 nan 8.290 nan 0.000 0.407 3022 A N 0.076 122.886 122.820 -0.016 0.000 1.902 3022 A HA 0.009 4.329 4.320 -0.000 0.000 0.217 3022 A C 2.417 179.995 177.584 -0.010 0.000 1.181 3022 A CA 2.061 54.091 52.037 -0.012 0.000 0.623 3022 A CB -0.885 18.110 19.000 -0.008 0.000 0.818 3022 A HN 0.483 nan 8.150 nan 0.000 0.443 3023 A N 0.291 123.106 122.820 -0.008 0.000 1.902 3023 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 3023 A C 1.963 179.543 177.584 -0.007 0.000 1.181 3023 A CA 2.131 54.165 52.037 -0.004 0.000 0.623 3023 A CB -0.793 18.206 19.000 -0.002 0.000 0.818 3023 A HN 0.651 nan 8.150 nan 0.000 0.443 3024 N N -0.286 118.405 118.700 -0.014 0.000 2.025 3024 N HA -0.169 4.571 4.740 -0.000 0.000 0.194 3024 N C 1.602 177.100 175.510 -0.020 0.000 1.044 3024 N CA 1.760 54.798 53.050 -0.020 0.000 0.851 3024 N CB -0.367 38.100 38.487 -0.034 0.000 1.036 3024 N HN 0.283 nan 8.380 nan 0.000 0.422 3025 L N 1.249 122.459 121.223 -0.023 0.000 2.042 3025 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 3025 L C 2.346 179.209 176.870 -0.011 0.000 1.076 3025 L CA 1.858 56.686 54.840 -0.020 0.000 0.749 3025 L CB -1.203 40.844 42.059 -0.019 0.000 0.893 3025 L HN 0.433 nan 8.230 nan 0.000 0.432 3026 Q N -0.940 118.856 119.800 -0.007 0.000 2.084 3026 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 3026 Q C 2.122 178.123 176.000 0.001 0.000 0.978 3026 Q CA 1.854 57.656 55.803 -0.002 0.000 0.844 3026 Q CB -0.210 28.528 28.738 0.001 0.000 0.898 3026 Q HN 0.648 nan 8.270 nan 0.000 0.426 3027 A N 1.338 124.159 122.820 0.002 0.000 1.902 3027 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 3027 A C 2.140 179.725 177.584 0.002 0.000 1.181 3027 A CA 1.537 53.578 52.037 0.007 0.000 0.623 3027 A CB -0.703 18.303 19.000 0.010 0.000 0.818 3027 A HN 0.437 nan 8.150 nan 0.000 0.443 3028 R N -0.317 120.180 120.500 -0.006 0.000 2.073 3028 R HA -0.199 4.141 4.340 -0.000 0.000 0.234 3028 R C 2.347 178.643 176.300 -0.007 0.000 1.134 3028 R CA 1.956 58.050 56.100 -0.009 0.000 0.952 3028 R CB -0.393 29.898 30.300 -0.016 0.000 0.850 3028 R HN 0.709 nan 8.270 nan 0.000 0.433 3029 Q N 0.082 119.878 119.800 -0.006 0.000 2.096 3029 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 3029 Q C 2.234 178.233 176.000 -0.001 0.000 0.982 3029 Q CA 1.802 57.602 55.803 -0.004 0.000 0.850 3029 Q CB -0.131 28.606 28.738 -0.003 0.000 0.901 3029 Q HN 0.456 nan 8.270 nan 0.000 0.422 3030 I N -0.182 120.390 120.570 0.003 0.000 2.252 3030 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 3030 I C 2.210 178.331 176.117 0.007 0.000 1.102 3030 I CA 0.685 61.990 61.300 0.009 0.000 1.385 3030 I CB -0.178 37.831 38.000 0.015 0.000 1.064 3030 I HN 0.040 nan 8.210 nan 0.000 0.414 3031 V N 1.195 121.110 119.914 0.002 0.000 2.287 3031 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 3031 V C 2.392 178.481 176.094 -0.008 0.000 1.053 3031 V CA 1.793 64.089 62.300 -0.006 0.000 1.027 3031 V CB -0.438 31.376 31.823 -0.015 0.000 0.646 3031 V HN 0.362 nan 8.190 nan 0.000 0.447 3032 L N -0.587 120.630 121.223 -0.011 0.000 2.083 3032 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 3032 L C 2.661 179.523 176.870 -0.013 0.000 1.083 3032 L CA 1.642 56.470 54.840 -0.020 0.000 0.752 3032 L CB -0.578 41.468 42.059 -0.022 0.000 0.899 3032 L HN 0.414 nan 8.230 nan 0.000 0.433 3033 Q N -0.896 118.904 119.800 -0.001 0.000 2.187 3033 Q HA -0.135 4.205 4.340 -0.000 0.000 0.199 3033 Q C 2.162 178.177 176.000 0.025 0.000 0.957 3033 Q CA 0.802 56.610 55.803 0.009 0.000 0.857 3033 Q CB 0.059 28.802 28.738 0.009 0.000 0.929 3033 Q HN 0.507 nan 8.270 nan 0.000 0.453 3034 Q N 0.462 120.277 119.800 0.025 0.000 2.204 3034 Q HA 0.037 4.377 4.340 -0.000 0.000 0.198 3034 Q C 1.310 177.342 176.000 0.053 0.000 0.946 3034 Q CA 0.563 56.388 55.803 0.038 0.000 0.859 3034 Q CB 0.200 28.957 28.738 0.032 0.000 0.946 3034 Q HN 0.259 nan 8.270 nan 0.000 0.474 3035 S N -0.503 115.221 115.700 0.040 0.000 2.645 3035 S HA 0.340 4.810 4.470 -0.000 0.000 0.266 3035 S C -0.643 174.020 174.600 0.104 0.000 1.258 3035 S CA -0.653 57.580 58.200 0.056 0.000 0.990 3035 S CB 0.883 64.091 63.200 0.014 0.000 0.967 3035 S HN 0.196 nan 8.310 nan 0.000 0.556 3036 Y N 1.852 122.135 120.300 -0.029 0.000 2.350 3036 Y HA 0.519 5.069 4.550 -0.000 0.000 0.338 3036 Y C -2.555 173.295 175.900 -0.083 0.000 0.961 3036 Y CA -2.271 55.801 58.100 -0.046 0.000 1.100 3036 Y CB 1.945 40.383 38.460 -0.037 0.000 1.179 3036 Y HN 0.566 nan 8.280 nan 0.000 0.454 3037 P HA 0.195 nan 4.420 nan 0.000 0.271 3037 P C -1.265 175.806 177.300 -0.381 0.000 1.216 3037 P CA 0.131 62.981 63.100 -0.418 0.000 0.776 3037 P CB 1.943 33.394 31.700 -0.416 0.000 0.881 3038 V N 4.367 124.022 119.914 -0.431 0.000 2.841 3038 V HA 0.477 4.597 4.120 -0.000 0.000 0.310 3038 V C -0.043 175.810 176.094 -0.402 0.000 1.090 3038 V CA -0.736 61.306 62.300 -0.431 0.000 0.930 3038 V CB 2.470 33.872 31.823 -0.701 0.000 1.014 3038 V HN 0.534 nan 8.190 nan 0.000 0.425 3039 I N 4.205 124.689 120.570 -0.144 0.000 2.478 3039 I HA 0.638 4.808 4.170 -0.000 0.000 0.287 3039 I C -0.838 175.380 176.117 0.168 0.000 1.042 3039 I CA -0.095 61.221 61.300 0.028 0.000 1.067 3039 I CB 1.583 39.603 38.000 0.033 0.000 1.233 3039 I HN 0.933 nan 8.210 nan 0.000 0.431 3040 Q N 5.767 125.758 119.800 0.317 0.000 2.379 3040 Q HA 0.386 4.726 4.340 -0.000 0.000 0.278 3040 Q C -1.369 174.857 176.000 0.376 0.000 1.068 3040 Q CA -0.939 55.081 55.803 0.363 0.000 0.816 3040 Q CB 1.933 30.853 28.738 0.304 0.000 1.387 3040 Q HN 0.672 nan 8.270 nan 0.000 0.413 3041 Q N 1.197 121.144 119.800 0.245 0.000 2.330 3041 Q HA 0.105 4.445 4.340 -0.000 0.000 0.279 3041 Q C -0.558 175.446 176.000 0.006 0.000 1.024 3041 Q CA 0.132 55.850 55.803 -0.141 0.000 0.900 3041 Q CB 1.086 29.671 28.738 -0.255 0.000 1.221 3041 Q HN 0.707 nan 8.270 nan 0.000 0.396 3042 V N 2.956 122.868 119.914 -0.004 0.000 2.908 3042 V HA 0.191 4.311 4.120 -0.000 0.000 0.240 3042 V C 0.181 176.294 176.094 0.032 0.000 1.117 3042 V CA 0.959 63.298 62.300 0.064 0.000 1.133 3042 V CB 0.425 32.326 31.823 0.130 0.000 0.857 3042 V HN 0.927 nan 8.190 nan 0.000 0.478 3043 E N -1.068 119.137 120.200 0.009 0.000 2.388 3043 E HA 0.405 4.755 4.350 -0.000 0.000 0.282 3043 E C -1.653 174.925 176.600 -0.037 0.000 1.026 3043 E CA -0.344 56.067 56.400 0.019 0.000 0.820 3043 E CB 2.213 31.978 29.700 0.109 0.000 1.226 3043 E HN 0.158 nan 8.360 nan 0.000 0.432 3044 T N 2.569 117.033 114.554 -0.150 0.000 2.912 3044 T HA 0.496 4.846 4.350 -0.000 0.000 0.299 3044 T C -1.293 173.126 174.700 -0.467 0.000 1.052 3044 T CA -0.626 61.282 62.100 -0.319 0.000 0.996 3044 T CB 1.747 70.492 68.868 -0.206 0.000 1.070 3044 T HN 0.458 nan 8.240 nan 0.000 0.465 3045 Q N 0.787 120.094 119.800 -0.822 0.000 2.353 3045 Q HA 0.581 4.921 4.340 -0.000 0.000 0.275 3045 Q C -1.663 174.061 176.000 -0.462 0.000 1.029 3045 Q CA -0.603 54.836 55.803 -0.607 0.000 0.848 3045 Q CB 2.140 30.472 28.738 -0.678 0.000 1.390 3045 Q HN 0.646 nan 8.270 nan 0.000 0.401 3046 T N 3.608 118.042 114.554 -0.198 0.000 2.824 3046 T HA 0.773 5.123 4.350 -0.000 0.000 0.282 3046 T C -1.220 173.479 174.700 -0.001 0.000 0.993 3046 T CA -0.371 61.624 62.100 -0.175 0.000 0.967 3046 T CB 0.362 69.135 68.868 -0.157 0.000 0.960 3046 T HN 0.458 nan 8.240 nan 0.000 0.441 3047 F N -0.209 119.632 119.950 -0.181 0.000 2.779 3047 F HA 0.732 5.259 4.527 -0.000 0.000 0.316 3047 F C -1.598 174.168 175.800 -0.057 0.000 1.164 3047 F CA -1.318 56.641 58.000 -0.068 0.000 0.924 3047 F CB 1.145 40.168 39.000 0.039 0.000 1.348 3047 F HN 0.301 nan 8.300 nan 0.000 0.467 3048 D N 2.279 122.759 120.400 0.134 0.000 2.349 3048 D HA 0.367 5.007 4.640 -0.000 0.000 0.232 3048 D C -1.892 174.561 176.300 0.256 0.000 1.071 3048 D CA -2.616 51.419 54.000 0.059 0.000 0.832 3048 D CB 2.248 43.102 40.800 0.090 0.000 1.086 3048 D HN 0.324 nan 8.370 nan 0.000 0.504 3049 P HA -0.078 nan 4.420 nan 0.000 0.228 3049 P C 0.883 178.304 177.300 0.203 0.000 1.151 3049 P CA 0.417 63.681 63.100 0.274 0.000 0.770 3049 P CB 0.262 31.980 31.700 0.030 0.000 0.786 3050 A N -0.088 122.839 122.820 0.179 0.000 2.066 3050 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 3050 A C 2.068 179.725 177.584 0.121 0.000 1.157 3050 A CA 1.144 53.272 52.037 0.151 0.000 0.670 3050 A CB -0.740 18.345 19.000 0.142 0.000 0.804 3050 A HN 0.144 nan 8.150 nan 0.000 0.453 3051 N N -1.022 117.760 118.700 0.138 0.000 2.349 3051 N HA 0.081 4.821 4.740 -0.000 0.000 0.180 3051 N C 0.754 176.303 175.510 0.066 0.000 1.024 3051 N CA 0.656 53.768 53.050 0.102 0.000 0.869 3051 N CB 0.113 38.672 38.487 0.120 0.000 1.022 3051 N HN 0.517 nan 8.380 nan 0.000 0.433 3052 R N -0.175 120.386 120.500 0.101 0.000 2.561 3052 R HA 0.230 4.570 4.340 -0.000 0.000 0.266 3052 R C -0.684 175.615 176.300 -0.001 0.000 1.091 3052 R CA -0.044 56.022 56.100 -0.058 0.000 0.927 3052 R CB 0.887 31.045 30.300 -0.236 0.000 1.240 3052 R HN 0.098 nan 8.270 nan 0.000 0.449 3053 S N 1.076 116.747 115.700 -0.048 0.000 2.733 3053 S HA 0.209 4.679 4.470 -0.000 0.000 0.247 3053 S C -0.231 174.458 174.600 0.147 0.000 1.043 3053 S CA -0.234 58.068 58.200 0.169 0.000 1.066 3053 S CB 0.827 64.151 63.200 0.207 0.000 1.045 3053 S HN 0.164 nan 8.310 nan 0.000 0.586 3054 V N 2.708 122.495 119.914 -0.212 0.000 2.417 3054 V HA 0.643 4.763 4.120 -0.000 0.000 0.291 3054 V C -1.338 174.451 176.094 -0.509 0.000 1.024 3054 V CA -0.552 61.636 62.300 -0.186 0.000 0.861 3054 V CB 0.965 32.688 31.823 -0.167 0.000 0.985 3054 V HN 0.405 nan 8.190 nan 0.000 0.436 3055 F N 2.085 121.973 119.950 -0.103 0.000 2.556 3055 F HA 0.472 4.999 4.527 -0.000 0.000 0.314 3055 F C -0.069 175.652 175.800 -0.133 0.000 1.106 3055 F CA -0.835 57.103 58.000 -0.104 0.000 0.911 3055 F CB 1.919 40.883 39.000 -0.060 0.000 1.190 3055 F HN 0.386 nan 8.300 nan 0.000 0.448 3056 D N 3.177 123.597 120.400 0.034 0.000 2.427 3056 D HA 0.360 5.000 4.640 -0.000 0.000 0.226 3056 D C -0.962 175.338 176.300 0.001 0.000 1.076 3056 D CA -0.067 53.916 54.000 -0.027 0.000 0.849 3056 D CB 1.423 42.184 40.800 -0.065 0.000 1.052 3056 D HN 0.198 nan 8.370 nan 0.000 0.515 3057 V N 3.302 123.190 119.914 -0.042 0.000 2.546 3057 V HA 0.294 4.414 4.120 -0.000 0.000 0.284 3057 V C 0.798 176.852 176.094 -0.067 0.000 1.050 3057 V CA -0.331 61.950 62.300 -0.032 0.000 0.981 3057 V CB 1.667 33.434 31.823 -0.093 0.000 0.990 3057 V HN 0.503 nan 8.190 nan 0.000 0.474 3058 T N 6.724 121.263 114.554 -0.025 0.000 2.929 3058 T HA 0.359 4.709 4.350 -0.000 0.000 0.331 3058 T C -2.368 172.335 174.700 0.006 0.000 1.120 3058 T CA -0.901 61.184 62.100 -0.026 0.000 0.973 3058 T CB 0.985 69.845 68.868 -0.013 0.000 1.036 3058 T HN 0.481 nan 8.240 nan 0.000 0.502 3059 P HA 0.309 nan 4.420 nan 0.000 0.269 3059 P C -0.532 176.825 177.300 0.095 0.000 1.215 3059 P CA -0.433 62.744 63.100 0.130 0.000 0.780 3059 P CB 0.459 32.330 31.700 0.285 0.000 0.898 3060 A N 2.294 125.165 122.820 0.085 0.000 2.388 3060 A HA 0.221 4.541 4.320 -0.000 0.000 0.257 3060 A C 0.144 177.709 177.584 -0.032 0.000 1.095 3060 A CA -0.275 51.767 52.037 0.009 0.000 0.791 3060 A CB -0.288 18.697 19.000 -0.025 0.000 1.029 3060 A HN 0.465 nan 8.150 nan 0.000 0.489 3061 N N 1.209 119.888 118.700 -0.037 0.000 2.602 3061 N HA 0.427 5.167 4.740 -0.000 0.000 0.238 3061 N C -1.246 174.206 175.510 -0.098 0.000 1.084 3061 N CA 0.172 53.197 53.050 -0.041 0.000 0.952 3061 N CB 0.898 39.381 38.487 -0.007 0.000 1.244 3061 N HN 0.307 nan 8.380 nan 0.000 0.512 3062 V N 0.315 120.110 119.914 -0.199 0.000 2.711 3062 V HA 0.625 4.745 4.120 -0.000 0.000 0.304 3062 V C 0.829 176.783 176.094 -0.234 0.000 1.097 3062 V CA -0.657 61.487 62.300 -0.261 0.000 0.906 3062 V CB 1.329 32.865 31.823 -0.479 0.000 1.015 3062 V HN 0.782 nan 8.190 nan 0.000 0.427 3063 G N 4.906 113.656 108.800 -0.083 0.000 2.582 3063 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.300 3063 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.300 3063 G C -0.122 174.769 174.900 -0.015 0.000 1.300 3063 G CA 0.480 45.561 45.100 -0.031 0.000 0.959 3063 G HN 0.842 nan 8.290 nan 0.000 0.548 3064 I N 0.655 121.239 120.570 0.023 0.000 2.325 3064 I HA 0.354 4.524 4.170 -0.000 0.000 0.291 3064 I C 0.456 176.608 176.117 0.059 0.000 1.019 3064 I CA -0.637 60.677 61.300 0.023 0.000 1.302 3064 I CB 1.460 39.464 38.000 0.007 0.000 1.401 3064 I HN 0.302 nan 8.210 nan 0.000 0.485 3065 V N 7.597 127.519 119.914 0.012 0.000 2.432 3065 V HA 0.171 4.291 4.120 -0.000 0.000 0.275 3065 V C 0.809 176.840 176.094 -0.105 0.000 1.043 3065 V CA -0.305 61.967 62.300 -0.047 0.000 0.925 3065 V CB 1.226 32.983 31.823 -0.110 0.000 0.985 3065 V HN 0.743 nan 8.190 nan 0.000 0.466 3066 K N 2.793 123.130 120.400 -0.105 0.000 2.308 3066 K HA 0.484 4.804 4.320 -0.000 0.000 0.197 3066 K C 0.802 177.300 176.600 -0.170 0.000 1.049 3066 K CA 0.706 56.971 56.287 -0.037 0.000 0.991 3066 K CB 0.668 33.233 32.500 0.109 0.000 0.836 3066 K HN 0.935 nan 8.250 nan 0.000 0.500 3067 G N -0.169 108.301 108.800 -0.550 0.000 2.315 3067 G HA2 0.342 4.302 3.960 -0.000 0.000 0.294 3067 G HA3 0.342 4.302 3.960 -0.000 0.000 0.294 3067 G C -1.952 172.068 174.900 -1.467 0.000 1.300 3067 G CA -1.062 43.356 45.100 -1.137 0.000 0.843 3067 G HN -0.012 nan 8.290 nan 0.000 0.527 3068 F N -0.515 118.847 119.950 -0.979 0.000 2.547 3068 F HA 0.673 5.200 4.527 -0.000 0.000 0.316 3068 F C -0.221 175.470 175.800 -0.182 0.000 1.121 3068 F CA -0.849 56.922 58.000 -0.382 0.000 0.911 3068 F CB 2.354 41.228 39.000 -0.210 0.000 1.179 3068 F HN 0.423 nan 8.300 nan 0.000 0.443 3069 L N 4.368 125.863 121.223 0.453 0.000 2.272 3069 L HA 0.720 5.060 4.340 -0.000 0.000 0.289 3069 L C -1.050 176.158 176.870 0.563 0.000 1.032 3069 L CA -0.517 54.715 54.840 0.653 0.000 0.810 3069 L CB 1.151 43.629 42.059 0.700 0.000 1.205 3069 L HN 0.409 nan 8.230 nan 0.000 0.422 3070 V N 5.636 125.843 119.914 0.488 0.000 2.357 3070 V HA 0.392 4.512 4.120 -0.000 0.000 0.284 3070 V C 0.055 176.312 176.094 0.271 0.000 1.018 3070 V CA -0.822 61.698 62.300 0.366 0.000 0.841 3070 V CB 1.171 33.145 31.823 0.252 0.000 0.991 3070 V HN 0.722 nan 8.190 nan 0.000 0.437 3071 K N 4.289 124.760 120.400 0.118 0.000 2.201 3071 K HA 0.675 4.995 4.320 -0.000 0.000 0.278 3071 K C -1.327 175.240 176.600 -0.055 0.000 1.027 3071 K CA -0.343 55.726 56.287 -0.363 0.000 0.909 3071 K CB 1.482 33.836 32.500 -0.244 0.000 1.062 3071 K HN 0.499 nan 8.250 nan 0.000 0.465 3072 V N 3.672 123.538 119.914 -0.080 0.000 2.577 3072 V HA 0.335 4.455 4.120 -0.000 0.000 0.303 3072 V C -0.285 175.825 176.094 0.027 0.000 1.042 3072 V CA -0.826 61.538 62.300 0.108 0.000 0.872 3072 V CB 1.642 33.658 31.823 0.323 0.000 0.998 3072 V HN 1.022 nan 8.190 nan 0.000 0.423 3073 T N 1.377 115.933 114.554 0.003 0.000 2.924 3073 T HA 0.977 5.327 4.350 -0.000 0.000 0.291 3073 T C -0.467 174.232 174.700 -0.002 0.000 1.045 3073 T CA -0.447 61.657 62.100 0.007 0.000 1.015 3073 T CB 2.364 71.226 68.868 -0.010 0.000 1.103 3073 T HN 1.448 nan 8.240 nan 0.000 0.496 3074 A N 0.369 123.223 122.820 0.057 0.000 2.612 3074 A HA 0.898 5.218 4.320 -0.000 0.000 0.293 3074 A C -1.110 176.552 177.584 0.130 0.000 1.075 3074 A CA -0.732 51.367 52.037 0.103 0.000 0.680 3074 A CB 1.098 20.264 19.000 0.278 0.000 1.279 3074 A HN 1.733 nan 8.150 nan 0.000 0.411 3075 A N 0.990 123.895 122.820 0.142 0.000 2.330 3075 A HA 0.797 5.117 4.320 -0.000 0.000 0.313 3075 A C -0.909 176.749 177.584 0.123 0.000 1.124 3075 A CA -0.293 51.803 52.037 0.097 0.000 0.774 3075 A CB 0.516 19.543 19.000 0.045 0.000 1.198 3075 A HN 0.796 nan 8.150 nan 0.000 0.465 3076 I N 1.595 122.187 120.570 0.037 0.000 2.545 3076 I HA 0.428 4.598 4.170 -0.000 0.000 0.292 3076 I C -0.325 175.714 176.117 -0.131 0.000 1.040 3076 I CA -0.290 60.974 61.300 -0.060 0.000 1.068 3076 I CB 2.729 40.666 38.000 -0.105 0.000 1.251 3076 I HN 0.577 nan 8.210 nan 0.000 0.424 3077 T N 4.006 118.461 114.554 -0.165 0.000 2.807 3077 T HA 0.274 4.624 4.350 -0.000 0.000 0.279 3077 T C -0.397 174.149 174.700 -0.258 0.000 0.993 3077 T CA -0.602 61.395 62.100 -0.171 0.000 0.970 3077 T CB 1.151 69.958 68.868 -0.101 0.000 0.950 3077 T HN 0.417 nan 8.240 nan 0.000 0.441 3078 N N 2.755 121.314 118.700 -0.234 0.000 2.485 3078 N HA 0.190 4.930 4.740 -0.000 0.000 0.243 3078 N C -0.017 175.412 175.510 -0.135 0.000 0.987 3078 N CA -0.519 52.389 53.050 -0.237 0.000 0.940 3078 N CB 0.409 38.761 38.487 -0.224 0.000 1.122 3078 N HN 0.368 nan 8.380 nan 0.000 0.509 3079 N N 1.505 120.134 118.700 -0.119 0.000 2.276 3079 N HA -0.039 4.701 4.740 -0.000 0.000 0.212 3079 N C -0.320 175.160 175.510 -0.050 0.000 1.127 3079 N CA -0.112 52.893 53.050 -0.076 0.000 0.834 3079 N CB -0.190 38.250 38.487 -0.079 0.000 1.014 3079 N HN 0.654 nan 8.380 nan 0.000 0.491 3080 H N 0.317 119.322 119.070 -0.109 0.000 2.871 3080 H HA 0.194 4.750 4.556 -0.000 0.000 0.355 3080 H C 1.325 176.615 175.328 -0.063 0.000 1.092 3080 H CA 0.389 56.388 56.048 -0.082 0.000 1.420 3080 H CB 1.094 30.805 29.762 -0.084 0.000 1.400 3080 H HN 0.132 nan 8.280 nan 0.000 0.604 3081 A N 2.579 125.192 122.820 -0.346 0.000 1.969 3081 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 3081 A C 1.868 179.466 177.584 0.024 0.000 1.169 3081 A CA 2.165 54.114 52.037 -0.146 0.000 0.635 3081 A CB -0.453 18.425 19.000 -0.203 0.000 0.810 3081 A HN 0.889 nan 8.150 nan 0.000 0.445 3082 T N -5.203 109.493 114.554 0.237 0.000 3.074 3082 T HA 0.178 4.528 4.350 -0.000 0.000 0.258 3082 T C 0.159 174.940 174.700 0.134 0.000 0.891 3082 T CA -0.260 61.941 62.100 0.169 0.000 0.867 3082 T CB 0.118 69.056 68.868 0.116 0.000 1.261 3082 T HN 0.198 nan 8.240 nan 0.000 0.537 3083 E N 1.740 122.026 120.200 0.143 0.000 2.242 3083 E HA 0.744 5.094 4.350 -0.000 0.000 0.275 3083 E C -0.187 176.326 176.600 -0.146 0.000 1.002 3083 E CA -0.421 55.889 56.400 -0.150 0.000 0.841 3083 E CB 1.936 31.364 29.700 -0.453 0.000 1.109 3083 E HN 0.539 nan 8.360 nan 0.000 0.394 3084 A N 1.682 124.438 122.820 -0.107 0.000 2.239 3084 A HA 0.683 5.003 4.320 -0.000 0.000 0.303 3084 A C -0.111 177.420 177.584 -0.089 0.000 1.114 3084 A CA -0.545 51.440 52.037 -0.087 0.000 0.871 3084 A CB 0.741 19.713 19.000 -0.047 0.000 1.201 3084 A HN 0.400 nan 8.150 nan 0.000 0.506 3085 V N -4.009 115.870 119.914 -0.059 0.000 3.007 3085 V HA 0.936 5.056 4.120 -0.000 0.000 0.311 3085 V C -0.223 175.956 176.094 0.142 0.000 1.120 3085 V CA -0.332 61.982 62.300 0.024 0.000 0.980 3085 V CB 1.098 32.933 31.823 0.019 0.000 1.033 3085 V HN 1.855 nan 8.190 nan 0.000 0.429 3086 A N 2.762 125.719 122.820 0.228 0.000 2.413 3086 A HA 0.857 5.177 4.320 -0.000 0.000 0.307 3086 A C -0.549 177.159 177.584 0.206 0.000 1.087 3086 A CA -0.979 51.202 52.037 0.240 0.000 0.750 3086 A CB 1.457 20.516 19.000 0.099 0.000 1.296 3086 A HN 1.082 nan 8.150 nan 0.000 0.423 3087 L N 1.832 123.074 121.223 0.031 0.000 2.514 3087 L HA 0.152 4.492 4.340 -0.000 0.000 0.280 3087 L C 1.488 178.262 176.870 -0.160 0.000 1.223 3087 L CA 0.102 54.762 54.840 -0.301 0.000 0.864 3087 L CB 0.510 42.422 42.059 -0.243 0.000 1.118 3087 L HN 0.998 nan 8.230 nan 0.000 0.494 3088 T N -1.999 112.431 114.554 -0.206 0.000 2.770 3088 T HA 0.090 4.440 4.350 -0.000 0.000 0.281 3088 T C 0.741 175.359 174.700 -0.137 0.000 0.981 3088 T CA -0.791 61.205 62.100 -0.174 0.000 0.955 3088 T CB 0.791 69.521 68.868 -0.230 0.000 1.060 3088 T HN 0.503 nan 8.240 nan 0.000 0.531 3089 D N -0.243 120.049 120.400 -0.180 0.000 2.178 3089 D HA -0.011 4.629 4.640 -0.000 0.000 0.201 3089 D C 1.522 177.978 176.300 0.260 0.000 0.980 3089 D CA 1.039 55.029 54.000 -0.017 0.000 0.842 3089 D CB -0.221 40.523 40.800 -0.093 0.000 0.948 3089 D HN 0.468 nan 8.370 nan 0.000 0.472 3090 F N 0.198 120.085 119.950 -0.104 0.000 2.473 3090 F HA 0.241 4.768 4.527 -0.000 0.000 0.294 3090 F C 2.202 177.954 175.800 -0.079 0.000 1.103 3090 F CA 0.432 58.407 58.000 -0.041 0.000 1.442 3090 F CB -0.948 38.004 39.000 -0.080 0.000 1.097 3090 F HN -0.020 nan 8.300 nan 0.000 0.547 3091 G N 2.642 111.468 108.800 0.043 0.000 2.685 3091 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.329 3091 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.329 3091 G C -1.108 173.765 174.900 -0.044 0.000 1.271 3091 G CA 0.580 45.622 45.100 -0.098 0.000 1.003 3091 G HN 0.210 nan 8.290 nan 0.000 0.549 3092 P HA 0.044 nan 4.420 nan 0.000 0.225 3092 P C 1.662 178.973 177.300 0.018 0.000 1.148 3092 P CA 2.317 65.424 63.100 0.011 0.000 0.779 3092 P CB -0.379 31.320 31.700 -0.002 0.000 0.780 3093 A N 0.182 122.971 122.820 -0.052 0.000 2.121 3093 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 3093 A C 1.878 179.594 177.584 0.221 0.000 1.154 3093 A CA 1.109 53.113 52.037 -0.054 0.000 0.679 3093 A CB -1.033 17.830 19.000 -0.229 0.000 0.795 3093 A HN 0.128 nan 8.150 nan 0.000 0.458 3094 N N -0.363 118.465 118.700 0.213 0.000 2.314 3094 N HA 0.174 4.914 4.740 -0.000 0.000 0.200 3094 N C 1.103 176.754 175.510 0.235 0.000 1.135 3094 N CA 0.099 53.296 53.050 0.246 0.000 0.835 3094 N CB 0.031 38.647 38.487 0.215 0.000 0.989 3094 N HN 0.482 nan 8.380 nan 0.000 0.478 3095 L N -0.294 121.100 121.223 0.285 0.000 2.141 3095 L HA -0.012 4.328 4.340 -0.000 0.000 0.209 3095 L C 0.328 177.375 176.870 0.295 0.000 1.094 3095 L CA 0.805 55.843 54.840 0.331 0.000 0.763 3095 L CB 0.192 42.469 42.059 0.363 0.000 0.908 3095 L HN -0.116 nan 8.230 nan 0.000 0.437 3096 V N 0.006 120.017 119.914 0.161 0.000 2.370 3096 V HA 0.120 4.240 4.120 -0.000 0.000 0.283 3096 V C 0.559 176.559 176.094 -0.157 0.000 1.023 3096 V CA -0.524 61.646 62.300 -0.216 0.000 0.857 3096 V CB 1.675 33.065 31.823 -0.721 0.000 0.985 3096 V HN 0.184 nan 8.190 nan 0.000 0.443 3097 Q N 3.574 123.294 119.800 -0.134 0.000 2.123 3097 Q HA 0.199 4.539 4.340 -0.000 0.000 0.196 3097 Q C 0.454 176.362 176.000 -0.153 0.000 0.958 3097 Q CA 1.021 56.788 55.803 -0.061 0.000 0.841 3097 Q CB 0.438 29.177 28.738 0.000 0.000 0.915 3097 Q HN 0.613 nan 8.270 nan 0.000 0.455 3098 R N -0.757 119.602 120.500 -0.235 0.000 2.707 3098 R HA 0.616 4.956 4.340 -0.000 0.000 0.272 3098 R C -1.398 174.710 176.300 -0.320 0.000 1.011 3098 R CA -0.483 55.468 56.100 -0.248 0.000 0.893 3098 R CB 2.376 32.581 30.300 -0.160 0.000 1.233 3098 R HN -0.181 nan 8.270 nan 0.000 0.464 3099 V N 3.218 122.951 119.914 -0.301 0.000 2.686 3099 V HA 0.578 4.698 4.120 -0.000 0.000 0.306 3099 V C -1.029 174.933 176.094 -0.221 0.000 1.065 3099 V CA -0.742 61.376 62.300 -0.303 0.000 0.894 3099 V CB 2.084 33.695 31.823 -0.353 0.000 1.004 3099 V HN 0.534 nan 8.190 nan 0.000 0.424 3100 I N 4.682 125.141 120.570 -0.184 0.000 2.569 3100 I HA 0.492 4.662 4.170 -0.000 0.000 0.290 3100 I C -1.163 174.871 176.117 -0.139 0.000 1.088 3100 I CA -0.523 60.672 61.300 -0.174 0.000 1.047 3100 I CB 1.974 39.885 38.000 -0.147 0.000 1.237 3100 I HN 0.638 nan 8.210 nan 0.000 0.421 3101 Y N 6.099 126.214 120.300 -0.307 0.000 2.393 3101 Y HA 0.715 5.265 4.550 -0.000 0.000 0.341 3101 Y C -1.735 173.993 175.900 -0.287 0.000 0.988 3101 Y CA -0.850 57.108 58.100 -0.237 0.000 1.078 3101 Y CB 1.351 39.681 38.460 -0.216 0.000 1.203 3101 Y HN 0.464 nan 8.280 nan 0.000 0.453 3102 Y N 4.130 123.873 120.300 -0.929 0.000 2.425 3102 Y HA 0.305 4.855 4.550 -0.000 0.000 0.344 3102 Y C -0.249 175.085 175.900 -0.944 0.000 0.969 3102 Y CA -1.180 56.559 58.100 -0.602 0.000 1.052 3102 Y CB 1.312 39.579 38.460 -0.321 0.000 1.215 3102 Y HN 0.716 nan 8.280 nan 0.000 0.451 3103 D N 2.276 122.527 120.400 -0.248 0.000 2.478 3103 D HA 0.252 4.892 4.640 -0.000 0.000 0.269 3103 D C -2.193 174.099 176.300 -0.012 0.000 1.232 3103 D CA -2.227 51.724 54.000 -0.081 0.000 1.059 3103 D CB 0.240 41.177 40.800 0.229 0.000 1.104 3103 D HN 0.164 nan 8.370 nan 0.000 0.566 3104 P HA -0.070 nan 4.420 nan 0.000 0.221 3104 P C 0.077 177.395 177.300 0.029 0.000 1.145 3104 P CA 1.064 64.180 63.100 0.027 0.000 0.795 3104 P CB 0.097 31.825 31.700 0.046 0.000 0.775 3105 D N -1.998 118.437 120.400 0.059 0.000 2.328 3105 D HA 0.034 4.674 4.640 -0.000 0.000 0.221 3105 D C 0.387 176.720 176.300 0.055 0.000 1.072 3105 D CA 0.102 54.134 54.000 0.054 0.000 0.850 3105 D CB -0.661 40.181 40.800 0.070 0.000 0.922 3105 D HN 0.006 nan 8.370 nan 0.000 0.516 3106 N N 1.097 119.829 118.700 0.054 0.000 2.741 3106 N HA -0.228 4.512 4.740 -0.000 0.000 0.250 3106 N C -0.324 175.302 175.510 0.194 0.000 1.115 3106 N CA 0.454 53.550 53.050 0.077 0.000 0.724 3106 N CB -0.911 37.569 38.487 -0.011 0.000 1.090 3106 N HN 0.165 nan 8.380 nan 0.000 0.558 3107 Q N 1.046 120.957 119.800 0.184 0.000 2.279 3107 Q HA 0.301 4.641 4.340 -0.000 0.000 0.256 3107 Q C -0.124 176.005 176.000 0.215 0.000 0.937 3107 Q CA -0.288 55.618 55.803 0.172 0.000 0.933 3107 Q CB 0.752 29.566 28.738 0.127 0.000 1.189 3107 Q HN 0.300 nan 8.270 nan 0.000 0.417 3108 R N 3.953 124.503 120.500 0.083 0.000 2.438 3108 R HA 0.192 4.532 4.340 -0.000 0.000 0.287 3108 R C -0.089 176.215 176.300 0.006 0.000 1.077 3108 R CA 0.066 56.073 56.100 -0.154 0.000 1.034 3108 R CB 0.423 30.538 30.300 -0.309 0.000 0.993 3108 R HN 0.885 nan 8.270 nan 0.000 0.459 3109 H N 0.904 119.914 119.070 -0.101 0.000 4.661 3109 H HA 0.147 4.703 4.556 -0.000 0.000 0.141 3109 H C 0.059 175.294 175.328 -0.156 0.000 1.436 3109 H CA -0.459 55.557 56.048 -0.053 0.000 1.052 3109 H CB 0.142 29.949 29.762 0.075 0.000 1.383 3109 H HN 0.434 nan 8.280 nan 0.000 0.422 3110 T N 1.377 115.923 114.554 -0.014 0.000 2.940 3110 T HA 0.087 4.437 4.350 -0.000 0.000 0.309 3110 T C 0.086 174.699 174.700 -0.144 0.000 1.056 3110 T CA 0.522 62.531 62.100 -0.152 0.000 1.137 3110 T CB 0.315 69.053 68.868 -0.217 0.000 0.976 3110 T HN 0.419 nan 8.240 nan 0.000 0.547 3111 E N 1.774 121.893 120.200 -0.135 0.000 2.542 3111 E HA 0.439 4.789 4.350 -0.000 0.000 0.298 3111 E C -0.868 175.672 176.600 -0.101 0.000 0.980 3111 E CA -0.493 55.830 56.400 -0.129 0.000 0.792 3111 E CB 1.034 30.668 29.700 -0.110 0.000 1.463 3111 E HN 0.584 nan 8.360 nan 0.000 0.389 3112 T N 1.161 115.627 114.554 -0.147 0.000 2.665 3112 T HA 0.470 4.820 4.350 -0.000 0.000 0.303 3112 T C -0.995 173.549 174.700 -0.261 0.000 1.334 3112 T CA -0.158 61.847 62.100 -0.157 0.000 1.011 3112 T CB 1.009 69.839 68.868 -0.063 0.000 1.573 3112 T HN 0.458 nan 8.240 nan 0.000 0.492 3113 S N 0.010 115.472 115.700 -0.396 0.000 2.617 3113 S HA 0.487 4.957 4.470 -0.000 0.000 0.269 3113 S C 1.637 175.942 174.600 -0.492 0.000 1.292 3113 S CA 0.045 57.938 58.200 -0.512 0.000 1.010 3113 S CB 0.882 63.519 63.200 -0.940 0.000 0.944 3113 S HN 1.079 nan 8.310 nan 0.000 0.536 3114 G N 1.219 109.807 108.800 -0.353 0.000 2.440 3114 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 3114 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 3114 G C 1.325 176.207 174.900 -0.030 0.000 1.154 3114 G CA 0.806 45.765 45.100 -0.235 0.000 0.767 3114 G HN 0.960 nan 8.290 nan 0.000 0.552 3115 W N 0.200 121.457 121.300 -0.072 0.000 2.363 3115 W HA -0.047 4.613 4.660 -0.000 0.000 0.296 3115 W C 1.800 178.014 176.519 -0.508 0.000 1.212 3115 W CA 0.887 57.994 57.345 -0.395 0.000 1.260 3115 W CB -1.087 28.101 29.460 -0.453 0.000 1.131 3115 W HN 0.425 nan 8.180 nan 0.000 0.530 3116 H N 1.163 119.802 119.070 -0.719 0.000 2.357 3116 H HA -0.172 4.384 4.556 -0.000 0.000 0.301 3116 H C 2.358 177.556 175.328 -0.216 0.000 1.082 3116 H CA 1.738 57.514 56.048 -0.453 0.000 1.342 3116 H CB -0.067 29.228 29.762 -0.778 0.000 1.389 3116 H HN 0.118 nan 8.280 nan 0.000 0.511 3117 L N 0.963 121.951 121.223 -0.391 0.000 2.042 3117 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 3117 L C 2.553 179.321 176.870 -0.171 0.000 1.076 3117 L CA 2.364 57.013 54.840 -0.318 0.000 0.749 3117 L CB -1.065 40.872 42.059 -0.203 0.000 0.893 3117 L HN 0.358 nan 8.230 nan 0.000 0.432 3118 H N -1.002 117.981 119.070 -0.144 0.000 2.353 3118 H HA -0.187 4.369 4.556 -0.000 0.000 0.300 3118 H C 1.915 177.215 175.328 -0.046 0.000 1.090 3118 H CA 2.228 58.185 56.048 -0.151 0.000 1.327 3118 H CB -0.564 29.081 29.762 -0.196 0.000 1.383 3118 H HN 0.469 nan 8.280 nan 0.000 0.508 3119 F N -0.758 119.073 119.950 -0.198 0.000 2.216 3119 F HA -0.158 4.369 4.527 -0.000 0.000 0.300 3119 F C 2.524 178.251 175.800 -0.121 0.000 1.085 3119 F CA 0.553 58.483 58.000 -0.116 0.000 1.326 3119 F CB -0.037 38.937 39.000 -0.043 0.000 1.027 3119 F HN 0.085 nan 8.300 nan 0.000 0.497 3120 V N 0.262 120.165 119.914 -0.018 0.000 2.453 3120 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 3120 V C 1.645 177.679 176.094 -0.100 0.000 1.048 3120 V CA 1.963 64.236 62.300 -0.045 0.000 1.049 3120 V CB -0.781 30.954 31.823 -0.145 0.000 0.672 3120 V HN 0.376 nan 8.190 nan 0.000 0.457 3121 N N -0.264 118.285 118.700 -0.252 0.000 2.104 3121 N HA -0.188 4.552 4.740 -0.000 0.000 0.190 3121 N C 1.833 177.202 175.510 -0.236 0.000 1.024 3121 N CA 1.818 54.592 53.050 -0.459 0.000 0.853 3121 N CB -0.213 37.570 38.487 -1.174 0.000 1.008 3121 N HN 0.414 nan 8.380 nan 0.000 0.424 3122 T N 0.567 115.018 114.554 -0.171 0.000 2.708 3122 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 3122 T C 2.062 176.734 174.700 -0.048 0.000 1.037 3122 T CA 1.190 63.268 62.100 -0.037 0.000 1.146 3122 T CB -0.328 68.499 68.868 -0.069 0.000 0.865 3122 T HN 0.333 nan 8.240 nan 0.000 0.435 3123 A N 1.914 124.713 122.820 -0.035 0.000 1.908 3123 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 3123 A C 2.265 179.841 177.584 -0.012 0.000 1.181 3123 A CA 1.368 53.349 52.037 -0.093 0.000 0.627 3123 A CB -0.324 18.563 19.000 -0.187 0.000 0.818 3123 A HN 0.303 nan 8.150 nan 0.000 0.445 3124 K N -0.587 119.810 120.400 -0.005 0.000 2.217 3124 K HA -0.139 4.181 4.320 -0.000 0.000 0.202 3124 K C 2.123 178.706 176.600 -0.027 0.000 1.051 3124 K CA 1.410 57.684 56.287 -0.023 0.000 0.952 3124 K CB -0.203 32.256 32.500 -0.068 0.000 0.736 3124 K HN 0.772 nan 8.250 nan 0.000 0.453 3125 Q N -0.008 119.794 119.800 0.004 0.000 2.187 3125 Q HA -0.069 4.271 4.340 -0.000 0.000 0.199 3125 Q C 0.678 176.667 176.000 -0.019 0.000 0.957 3125 Q CA 1.309 57.121 55.803 0.014 0.000 0.857 3125 Q CB 0.268 29.067 28.738 0.102 0.000 0.929 3125 Q HN 0.422 nan 8.270 nan 0.000 0.453 3126 G N -0.573 108.210 108.800 -0.029 0.000 2.141 3126 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.231 3126 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.231 3126 G C -0.057 174.802 174.900 -0.068 0.000 0.984 3126 G CA 0.171 45.245 45.100 -0.043 0.000 0.660 3126 G HN 0.840 nan 8.290 nan 0.000 0.525 3127 A N -1.271 121.506 122.820 -0.072 0.000 2.586 3127 A HA 0.791 5.111 4.320 -0.000 0.000 0.291 3127 A C -3.156 174.394 177.584 -0.056 0.000 1.062 3127 A CA -0.750 51.237 52.037 -0.084 0.000 0.666 3127 A CB 0.714 19.675 19.000 -0.066 0.000 1.281 3127 A HN 0.155 nan 8.150 nan 0.000 0.421 3128 P HA 0.130 nan 4.420 nan 0.000 0.258 3128 P C -0.351 177.014 177.300 0.107 0.000 1.172 3128 P CA 0.518 63.633 63.100 0.026 0.000 0.762 3128 P CB -0.147 31.570 31.700 0.027 0.000 0.764 3129 F N 5.760 125.717 119.950 0.010 0.000 2.580 3129 F HA -0.069 4.458 4.527 -0.000 0.000 0.398 3129 F C 1.172 176.993 175.800 0.035 0.000 1.023 3129 F CA 0.376 58.391 58.000 0.025 0.000 1.188 3129 F CB -0.424 38.615 39.000 0.065 0.000 1.005 3129 F HN 0.274 nan 8.300 nan 0.000 0.546 3130 L N 3.577 124.443 121.223 -0.595 0.000 3.976 3130 L HA -0.328 4.012 4.340 -0.000 0.000 0.418 3130 L C 0.656 177.376 176.870 -0.250 0.000 1.177 3130 L CA 0.550 55.056 54.840 -0.556 0.000 0.968 3130 L CB -2.379 39.199 42.059 -0.802 0.000 1.933 3130 L HN 0.726 nan 8.230 nan 0.000 0.976 3131 S N -1.841 113.777 115.700 -0.137 0.000 2.645 3131 S HA 0.514 4.984 4.470 -0.000 0.000 0.266 3131 S C 0.324 174.876 174.600 -0.080 0.000 1.258 3131 S CA -0.050 58.108 58.200 -0.070 0.000 0.990 3131 S CB 2.184 65.369 63.200 -0.025 0.000 0.967 3131 S HN 0.273 nan 8.310 nan 0.000 0.556 3132 S N 1.462 117.131 115.700 -0.051 0.000 2.474 3132 S HA 0.405 4.875 4.470 -0.000 0.000 0.321 3132 S C -0.354 174.225 174.600 -0.035 0.000 1.080 3132 S CA -0.831 57.342 58.200 -0.044 0.000 1.106 3132 S CB 0.000 63.186 63.200 -0.024 0.000 0.984 3132 S HN 0.775 nan 8.310 nan 0.000 0.464 3133 M N 5.887 125.459 119.600 -0.047 0.000 2.238 3133 M HA 0.369 4.849 4.480 -0.000 0.000 0.347 3133 M C -1.064 175.217 176.300 -0.032 0.000 1.173 3133 M CA -0.255 55.019 55.300 -0.044 0.000 1.147 3133 M CB 0.639 33.203 32.600 -0.061 0.000 1.547 3133 M HN 0.423 nan 8.290 nan 0.000 0.455 3134 V N 4.722 124.622 119.914 -0.023 0.000 2.498 3134 V HA 0.468 4.588 4.120 -0.000 0.000 0.279 3134 V C 0.441 176.525 176.094 -0.017 0.000 1.048 3134 V CA -0.219 62.074 62.300 -0.011 0.000 0.967 3134 V CB 0.997 32.817 31.823 -0.004 0.000 0.988 3134 V HN 1.023 nan 8.190 nan 0.000 0.473 3135 T N -0.083 114.464 114.554 -0.011 0.000 2.838 3135 T HA 0.353 4.703 4.350 -0.000 0.000 0.292 3135 T C 0.276 174.977 174.700 0.003 0.000 1.113 3135 T CA -0.260 61.830 62.100 -0.016 0.000 1.008 3135 T CB 1.908 70.751 68.868 -0.041 0.000 1.259 3135 T HN 0.619 nan 8.240 nan 0.000 0.520 3136 D N -0.132 120.269 120.400 0.002 0.000 2.328 3136 D HA 0.083 4.723 4.640 -0.000 0.000 0.226 3136 D C 0.655 176.971 176.300 0.026 0.000 1.066 3136 D CA -0.190 53.816 54.000 0.011 0.000 0.861 3136 D CB -0.358 40.446 40.800 0.005 0.000 0.912 3136 D HN 0.388 nan 8.370 nan 0.000 0.521 3137 S N 1.822 117.547 115.700 0.041 0.000 2.525 3137 S HA 0.091 4.561 4.470 -0.000 0.000 0.285 3137 S C -1.044 173.610 174.600 0.090 0.000 1.283 3137 S CA -0.923 57.326 58.200 0.082 0.000 1.072 3137 S CB 0.997 64.287 63.200 0.151 0.000 0.867 3137 S HN 0.099 nan 8.310 nan 0.000 0.492 3138 P HA 0.081 nan 4.420 nan 0.000 0.227 3138 P C 0.124 177.442 177.300 0.030 0.000 1.161 3138 P CA 0.270 63.394 63.100 0.040 0.000 0.788 3138 P CB -0.018 31.697 31.700 0.025 0.000 0.822 3139 I N 1.181 121.783 120.570 0.054 0.000 2.648 3139 I HA -0.022 4.148 4.170 -0.000 0.000 0.284 3139 I C 1.332 177.395 176.117 -0.089 0.000 1.153 3139 I CA 0.279 61.552 61.300 -0.046 0.000 1.426 3139 I CB 0.229 38.199 38.000 -0.050 0.000 1.381 3139 I HN -0.271 nan 8.210 nan 0.000 0.571 3140 K N 6.669 126.963 120.400 -0.177 0.000 3.000 3140 K HA 0.096 4.416 4.320 -0.000 0.000 0.265 3140 K C -0.730 175.778 176.600 -0.154 0.000 1.260 3140 K CA -0.016 56.197 56.287 -0.124 0.000 1.209 3140 K CB -0.530 31.917 32.500 -0.090 0.000 1.484 3140 K HN 0.388 nan 8.250 nan 0.000 0.283 3141 Y N 0.445 120.733 120.300 -0.019 0.000 2.281 3141 Y HA 0.317 4.867 4.550 -0.000 0.000 0.337 3141 Y C 1.546 177.432 175.900 -0.023 0.000 1.304 3141 Y CA 0.586 58.671 58.100 -0.024 0.000 1.465 3141 Y CB 0.931 39.374 38.460 -0.027 0.000 1.350 3141 Y HN 0.469 nan 8.280 nan 0.000 0.575 3142 G N 0.157 109.051 108.800 0.157 0.000 2.302 3142 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.264 3142 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.264 3142 G C -1.768 173.156 174.900 0.039 0.000 1.335 3142 G CA -0.866 44.278 45.100 0.074 0.000 0.982 3142 G HN 0.540 nan 8.290 nan 0.000 0.473 3143 D N 0.503 120.916 120.400 0.022 0.000 2.470 3143 D HA 0.436 5.076 4.640 -0.000 0.000 0.226 3143 D C 1.355 177.661 176.300 0.011 0.000 1.196 3143 D CA 0.194 54.202 54.000 0.012 0.000 0.979 3143 D CB 0.737 41.544 40.800 0.012 0.000 1.059 3143 D HN 0.268 nan 8.370 nan 0.000 0.515 3144 V N 3.148 123.066 119.914 0.008 0.000 2.672 3144 V HA -0.023 4.097 4.120 -0.000 0.000 0.242 3144 V C 1.878 177.974 176.094 0.003 0.000 1.059 3144 V CA 0.715 63.017 62.300 0.002 0.000 1.081 3144 V CB -0.093 31.727 31.823 -0.005 0.000 0.752 3144 V HN 0.556 nan 8.190 nan 0.000 0.472 3145 M N -0.421 119.180 119.600 0.001 0.000 2.371 3145 M HA 0.285 4.765 4.480 -0.000 0.000 0.246 3145 M C 0.380 176.694 176.300 0.022 0.000 1.103 3145 M CA 0.108 55.412 55.300 0.007 0.000 1.010 3145 M CB -0.648 31.948 32.600 -0.007 0.000 1.457 3145 M HN 0.379 nan 8.290 nan 0.000 0.486 3146 N N 1.205 119.918 118.700 0.021 0.000 2.705 3146 N HA -0.142 4.598 4.740 -0.000 0.000 0.255 3146 N C 1.007 176.555 175.510 0.064 0.000 1.008 3146 N CA 0.250 53.323 53.050 0.037 0.000 0.742 3146 N CB -1.123 37.392 38.487 0.045 0.000 0.906 3146 N HN 0.148 nan 8.380 nan 0.000 0.541 3147 V N -0.219 119.715 119.914 0.035 0.000 2.261 3147 V HA -0.105 4.015 4.120 -0.000 0.000 0.246 3147 V C 1.405 177.601 176.094 0.170 0.000 1.047 3147 V CA 1.566 63.900 62.300 0.056 0.000 1.015 3147 V CB 0.025 31.764 31.823 -0.140 0.000 0.642 3147 V HN 0.404 nan 8.190 nan 0.000 0.446 3148 I N 0.407 121.026 120.570 0.081 0.000 2.447 3148 I HA 0.504 4.674 4.170 -0.000 0.000 0.287 3148 I C -1.140 175.010 176.117 0.056 0.000 1.023 3148 I CA -0.317 61.040 61.300 0.095 0.000 1.083 3148 I CB 1.795 39.831 38.000 0.060 0.000 1.245 3148 I HN 0.258 nan 8.210 nan 0.000 0.434 3149 D N 5.464 125.901 120.400 0.062 0.000 2.717 3149 D HA 0.786 5.426 4.640 -0.000 0.000 0.223 3149 D C -1.670 174.671 176.300 0.068 0.000 1.240 3149 D CA -0.310 53.724 54.000 0.056 0.000 0.801 3149 D CB 2.254 43.089 40.800 0.059 0.000 1.556 3149 D HN 0.698 nan 8.370 nan 0.000 0.462 3150 A N 2.440 125.304 122.820 0.072 0.000 2.532 3150 A HA 0.642 4.962 4.320 -0.000 0.000 0.296 3150 A C -2.818 174.842 177.584 0.128 0.000 1.058 3150 A CA -1.154 50.950 52.037 0.112 0.000 0.729 3150 A CB 1.411 20.461 19.000 0.083 0.000 1.285 3150 A HN 0.438 nan 8.150 nan 0.000 0.396 3151 P HA 0.276 nan 4.420 nan 0.000 0.268 3151 P C 0.991 178.413 177.300 0.204 0.000 1.204 3151 P CA 0.511 63.703 63.100 0.153 0.000 0.768 3151 P CB 1.225 32.998 31.700 0.121 0.000 0.842 3152 A N 3.488 126.387 122.820 0.131 0.000 1.978 3152 A HA -0.031 4.289 4.320 -0.000 0.000 0.220 3152 A C 1.118 178.815 177.584 0.189 0.000 1.170 3152 A CA 1.894 54.004 52.037 0.120 0.000 0.636 3152 A CB -0.928 18.114 19.000 0.071 0.000 0.810 3152 A HN 0.741 nan 8.150 nan 0.000 0.448 3153 T N -3.747 110.912 114.554 0.175 0.000 2.883 3153 T HA 0.676 5.026 4.350 -0.000 0.000 0.301 3153 T C -0.864 173.857 174.700 0.036 0.000 1.158 3153 T CA -0.626 61.561 62.100 0.145 0.000 1.007 3153 T CB 1.505 70.413 68.868 0.066 0.000 1.186 3153 T HN 0.174 nan 8.240 nan 0.000 0.499 3154 I N 1.770 122.284 120.570 -0.093 0.000 2.439 3154 I HA 0.567 4.737 4.170 -0.000 0.000 0.283 3154 I C 0.639 176.673 176.117 -0.138 0.000 1.023 3154 I CA -1.126 60.062 61.300 -0.187 0.000 1.100 3154 I CB 1.409 39.160 38.000 -0.415 0.000 1.238 3154 I HN 1.025 nan 8.210 nan 0.000 0.445 3155 A N 4.693 127.462 122.820 -0.085 0.000 2.346 3155 A HA 0.698 5.018 4.320 -0.000 0.000 0.252 3155 A C 0.657 178.201 177.584 -0.067 0.000 1.089 3155 A CA -0.246 51.754 52.037 -0.061 0.000 0.797 3155 A CB 0.437 19.415 19.000 -0.037 0.000 1.047 3155 A HN 0.838 nan 8.150 nan 0.000 0.494 3156 A N -0.054 122.742 122.820 -0.040 0.000 2.567 3156 A HA 0.457 4.777 4.320 -0.000 0.000 0.240 3156 A C 1.621 179.187 177.584 -0.030 0.000 1.053 3156 A CA 0.925 52.953 52.037 -0.016 0.000 0.755 3156 A CB -1.018 18.002 19.000 0.034 0.000 0.978 3156 A HN 2.755 nan 8.150 nan 0.000 0.507 3157 G N 0.705 109.479 108.800 -0.043 0.000 2.176 3157 G HA2 0.149 4.109 3.960 -0.000 0.000 0.253 3157 G HA3 0.149 4.109 3.960 -0.000 0.000 0.253 3157 G C 0.519 175.386 174.900 -0.054 0.000 0.979 3157 G CA 0.612 45.684 45.100 -0.046 0.000 0.641 3157 G HN 2.196 nan 8.290 nan 0.000 0.530 3158 A N -0.581 122.198 122.820 -0.069 0.000 2.281 3158 A HA 0.882 5.202 4.320 -0.000 0.000 0.329 3158 A C 0.174 177.703 177.584 -0.092 0.000 1.122 3158 A CA 0.535 52.530 52.037 -0.070 0.000 0.850 3158 A CB 1.231 20.192 19.000 -0.066 0.000 1.207 3158 A HN 0.702 nan 8.150 nan 0.000 0.495 3159 T N 0.571 115.082 114.554 -0.072 0.000 2.812 3159 T HA 0.625 4.975 4.350 -0.000 0.000 0.282 3159 T C 0.158 174.824 174.700 -0.056 0.000 0.990 3159 T CA 0.021 62.078 62.100 -0.071 0.000 0.960 3159 T CB 1.533 70.375 68.868 -0.043 0.000 0.948 3159 T HN 1.054 nan 8.240 nan 0.000 0.438 3160 G N 1.862 110.622 108.800 -0.066 0.000 2.432 3160 G HA2 0.661 4.621 3.960 -0.000 0.000 0.331 3160 G HA3 0.661 4.621 3.960 -0.000 0.000 0.331 3160 G C -0.973 173.943 174.900 0.027 0.000 1.170 3160 G CA -0.607 44.480 45.100 -0.021 0.000 0.943 3160 G HN 0.491 nan 8.290 nan 0.000 0.483 3161 E N 0.660 120.892 120.200 0.052 0.000 2.183 3161 E HA 0.488 4.838 4.350 -0.000 0.000 0.271 3161 E C -0.446 176.212 176.600 0.097 0.000 0.919 3161 E CA -0.423 56.017 56.400 0.067 0.000 0.781 3161 E CB 2.455 32.183 29.700 0.047 0.000 1.140 3161 E HN 0.306 nan 8.360 nan 0.000 0.402 3162 L N 0.868 122.159 121.223 0.114 0.000 2.354 3162 L HA 0.653 4.993 4.340 -0.000 0.000 0.264 3162 L C -0.122 176.806 176.870 0.097 0.000 1.008 3162 L CA -0.887 54.027 54.840 0.123 0.000 0.819 3162 L CB 2.144 44.305 42.059 0.171 0.000 1.339 3162 L HN 0.334 nan 8.230 nan 0.000 0.420 3163 T N 2.152 116.758 114.554 0.087 0.000 2.916 3163 T HA 0.702 5.052 4.350 -0.000 0.000 0.298 3163 T C -0.855 173.887 174.700 0.069 0.000 1.031 3163 T CA -0.438 61.707 62.100 0.074 0.000 0.993 3163 T CB 2.280 71.212 68.868 0.107 0.000 1.045 3163 T HN 0.503 nan 8.240 nan 0.000 0.454 3164 M N 2.932 122.542 119.600 0.016 0.000 2.484 3164 M HA 0.672 5.152 4.480 -0.000 0.000 0.289 3164 M C -2.433 173.808 176.300 -0.098 0.000 1.206 3164 M CA -0.711 54.574 55.300 -0.024 0.000 0.892 3164 M CB 1.764 34.326 32.600 -0.064 0.000 1.712 3164 M HN 0.631 nan 8.290 nan 0.000 0.462 3165 Y N 2.569 122.828 120.300 -0.068 0.000 2.462 3165 Y HA 0.704 5.254 4.550 -0.000 0.000 0.346 3165 Y C -1.566 174.368 175.900 0.058 0.000 0.976 3165 Y CA -0.330 57.839 58.100 0.116 0.000 1.044 3165 Y CB 2.088 40.670 38.460 0.204 0.000 1.230 3165 Y HN 0.620 nan 8.280 nan 0.000 0.455 3166 Y N 1.429 122.013 120.300 0.473 0.000 2.477 3166 Y HA 0.270 4.820 4.550 -0.000 0.000 0.347 3166 Y C -0.942 175.176 175.900 0.363 0.000 0.981 3166 Y CA -1.521 56.760 58.100 0.302 0.000 1.033 3166 Y CB 1.936 40.455 38.460 0.098 0.000 1.245 3166 Y HN 0.646 nan 8.280 nan 0.000 0.455 3167 W N 5.219 126.608 121.300 0.148 0.000 2.329 3167 W HA 0.657 5.317 4.660 -0.000 0.000 0.312 3167 W C -1.858 174.686 176.519 0.040 0.000 1.054 3167 W CA -1.018 56.403 57.345 0.126 0.000 1.245 3167 W CB 1.408 30.900 29.460 0.053 0.000 1.255 3167 W HN 0.306 nan 8.180 nan 0.000 0.436 3168 V N 9.461 129.097 119.914 -0.464 0.000 2.334 3168 V HA 0.184 4.304 4.120 -0.000 0.000 0.267 3168 V C -1.590 174.003 176.094 -0.834 0.000 1.040 3168 V CA -1.551 60.475 62.300 -0.456 0.000 0.866 3168 V CB 0.881 32.566 31.823 -0.229 0.000 1.019 3168 V HN 0.367 nan 8.190 nan 0.000 0.468 3169 P HA 0.392 nan 4.420 nan 0.000 0.282 3169 P C 0.046 177.217 177.300 -0.215 0.000 1.249 3169 P CA -0.297 62.596 63.100 -0.346 0.000 0.806 3169 P CB 2.506 34.326 31.700 0.201 0.000 0.984 3170 L N 1.255 122.403 121.223 -0.124 0.000 2.675 3170 L HA 0.327 4.667 4.340 -0.000 0.000 0.178 3170 L C 1.363 178.360 176.870 0.212 0.000 1.135 3170 L CA 0.096 54.890 54.840 -0.076 0.000 0.855 3170 L CB -0.781 41.107 42.059 -0.284 0.000 1.235 3170 L HN 0.323 nan 8.230 nan 0.000 0.499 3171 A N -0.919 121.999 122.820 0.163 0.000 2.407 3171 A HA -0.005 4.315 4.320 -0.000 0.000 0.248 3171 A C 0.512 178.263 177.584 0.280 0.000 1.082 3171 A CA 0.015 52.172 52.037 0.200 0.000 0.785 3171 A CB -0.002 19.078 19.000 0.133 0.000 1.020 3171 A HN 0.356 nan 8.150 nan 0.000 0.489 3172 Y N 2.228 122.531 120.300 0.005 0.000 2.181 3172 Y HA -0.011 4.539 4.550 0.000 0.000 0.288 3172 Y C 1.263 177.133 175.900 -0.049 0.000 1.146 3172 Y CA 1.716 59.655 58.100 -0.268 0.000 1.164 3172 Y CB 0.011 38.332 38.460 -0.233 0.000 0.982 3172 Y HN 0.884 nan 8.280 nan 0.000 0.515 3173 S N -2.434 113.245 115.700 -0.036 0.000 2.757 3173 S HA 0.263 4.733 4.470 -0.000 0.000 0.285 3173 S C 0.369 174.954 174.600 -0.026 0.000 1.196 3173 S CA -0.624 57.509 58.200 -0.111 0.000 0.856 3173 S CB 1.063 64.174 63.200 -0.150 0.000 1.212 3173 S HN 0.076 nan 8.310 nan 0.000 0.516 3174 E N 1.076 121.231 120.200 -0.075 0.000 2.204 3174 E HA -0.018 4.332 4.350 -0.000 0.000 0.194 3174 E C 1.718 178.294 176.600 -0.041 0.000 0.989 3174 E CA 1.908 58.266 56.400 -0.071 0.000 0.824 3174 E CB -0.369 29.260 29.700 -0.118 0.000 0.756 3174 E HN 0.848 nan 8.360 nan 0.000 0.477 3175 T N -2.438 112.104 114.554 -0.020 0.000 2.971 3175 T HA 0.052 4.402 4.350 -0.000 0.000 0.252 3175 T C 0.470 175.183 174.700 0.020 0.000 1.022 3175 T CA -0.293 61.804 62.100 -0.006 0.000 0.980 3175 T CB 0.425 69.289 68.868 -0.007 0.000 1.044 3175 T HN -0.201 nan 8.240 nan 0.000 0.501 3176 D N 1.218 121.652 120.400 0.057 0.000 2.441 3176 D HA 0.308 4.948 4.640 -0.000 0.000 0.231 3176 D C 0.615 176.957 176.300 0.070 0.000 1.073 3176 D CA -0.719 53.328 54.000 0.078 0.000 0.850 3176 D CB 0.953 41.864 40.800 0.185 0.000 1.062 3176 D HN 0.210 nan 8.370 nan 0.000 0.524 3177 L N 2.590 123.826 121.223 0.021 0.000 2.645 3177 L HA 0.084 4.424 4.340 -0.000 0.000 0.235 3177 L C 0.756 177.623 176.870 -0.004 0.000 1.150 3177 L CA 0.167 55.019 54.840 0.019 0.000 0.911 3177 L CB -0.371 41.690 42.059 0.004 0.000 1.077 3177 L HN 0.262 nan 8.230 nan 0.000 0.438 3178 T N 0.762 115.280 114.554 -0.061 0.000 2.871 3178 T HA 0.248 4.598 4.350 -0.000 0.000 0.296 3178 T C 1.245 175.921 174.700 -0.040 0.000 0.998 3178 T CA 1.012 62.995 62.100 -0.195 0.000 1.162 3178 T CB 0.908 69.436 68.868 -0.567 0.000 0.947 3178 T HN 0.624 nan 8.240 nan 0.000 0.536 3179 G N 2.083 110.887 108.800 0.006 0.000 2.213 3179 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.236 3179 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.236 3179 G C 0.372 175.378 174.900 0.177 0.000 0.991 3179 G CA -0.042 45.165 45.100 0.177 0.000 0.629 3179 G HN 1.149 nan 8.290 nan 0.000 0.517 3180 A N -0.493 122.387 122.820 0.099 0.000 2.429 3180 A HA 0.645 4.965 4.320 -0.000 0.000 0.242 3180 A C 0.408 178.036 177.584 0.073 0.000 1.088 3180 A CA 0.811 52.884 52.037 0.060 0.000 0.784 3180 A CB 0.833 19.855 19.000 0.036 0.000 1.038 3180 A HN 1.213 nan 8.150 nan 0.000 0.501 3181 V N 1.628 121.563 119.914 0.036 0.000 2.487 3181 V HA 0.322 4.442 4.120 -0.000 0.000 0.298 3181 V C -0.566 175.562 176.094 0.056 0.000 1.028 3181 V CA -0.506 61.837 62.300 0.072 0.000 0.860 3181 V CB 1.401 33.269 31.823 0.075 0.000 0.991 3181 V HN 0.775 nan 8.190 nan 0.000 0.427 3182 L N 5.320 126.584 121.223 0.067 0.000 2.283 3182 L HA 0.715 5.055 4.340 -0.000 0.000 0.287 3182 L C 0.486 177.391 176.870 0.059 0.000 1.073 3182 L CA 0.156 55.027 54.840 0.051 0.000 0.822 3182 L CB 0.769 42.864 42.059 0.059 0.000 1.186 3182 L HN 0.746 nan 8.230 nan 0.000 0.436 3183 A N 4.313 127.156 122.820 0.039 0.000 2.938 3183 A HA 0.495 4.815 4.320 -0.000 0.000 0.344 3183 A C -0.066 177.531 177.584 0.021 0.000 1.142 3183 A CA -0.444 51.615 52.037 0.038 0.000 0.841 3183 A CB -0.625 18.398 19.000 0.039 0.000 1.083 3183 A HN 0.810 nan 8.150 nan 0.000 0.479 3184 N N -0.082 118.646 118.700 0.047 0.000 2.299 3184 N HA 0.183 4.923 4.740 -0.000 0.000 0.246 3184 N C -0.993 174.553 175.510 0.061 0.000 1.254 3184 N CA -0.171 52.915 53.050 0.060 0.000 0.879 3184 N CB 0.582 39.138 38.487 0.116 0.000 1.214 3184 N HN 0.062 nan 8.380 nan 0.000 0.510 3185 V N 1.765 121.707 119.914 0.046 0.000 2.277 3185 V HA 0.424 4.544 4.120 -0.000 0.000 0.269 3185 V C -2.162 173.947 176.094 0.025 0.000 1.036 3185 V CA -1.611 60.711 62.300 0.037 0.000 0.821 3185 V CB 0.806 32.651 31.823 0.037 0.000 1.052 3185 V HN 0.083 nan 8.190 nan 0.000 0.462 3186 P HA 0.325 nan 4.420 nan 0.000 0.266 3186 P C 0.631 177.936 177.300 0.009 0.000 1.195 3186 P CA 1.300 64.409 63.100 0.014 0.000 0.768 3186 P CB 0.512 32.221 31.700 0.014 0.000 0.838 3187 Q N -0.412 119.390 119.800 0.003 0.000 2.360 3187 Q HA -0.209 4.131 4.340 -0.000 0.000 0.192 3187 Q C 0.451 176.448 176.000 -0.006 0.000 0.615 3187 Q CA 1.423 57.225 55.803 -0.002 0.000 1.355 3187 Q CB -2.736 26.001 28.738 -0.001 0.000 1.324 3187 Q HN 0.513 nan 8.270 nan 0.000 0.885 3188 S N 0.361 116.060 115.700 -0.002 0.000 2.653 3188 S HA 0.545 5.015 4.470 -0.000 0.000 0.272 3188 S C -0.211 174.385 174.600 -0.007 0.000 1.221 3188 S CA 0.144 58.341 58.200 -0.005 0.000 1.149 3188 S CB 0.394 63.597 63.200 0.006 0.000 1.029 3188 S HN 0.830 nan 8.310 nan 0.000 0.481 3189 K N 3.349 123.736 120.400 -0.023 0.000 2.087 3189 K HA 0.515 4.835 4.320 -0.000 0.000 0.255 3189 K C -0.216 176.354 176.600 -0.049 0.000 0.988 3189 K CA -0.854 55.417 56.287 -0.026 0.000 0.915 3189 K CB 0.914 33.395 32.500 -0.033 0.000 1.043 3189 K HN 0.465 nan 8.250 nan 0.000 0.457 3190 Q N 0.676 120.451 119.800 -0.042 0.000 2.185 3190 Q HA 0.395 4.735 4.340 -0.000 0.000 0.225 3190 Q C -0.768 175.140 176.000 -0.155 0.000 0.983 3190 Q CA -0.825 54.911 55.803 -0.110 0.000 0.950 3190 Q CB 1.334 30.080 28.738 0.013 0.000 1.176 3190 Q HN 0.447 nan 8.270 nan 0.000 0.510 3191 R N 0.640 120.978 120.500 -0.270 0.000 2.533 3191 R HA 0.418 4.758 4.340 -0.000 0.000 0.288 3191 R C -1.764 174.407 176.300 -0.215 0.000 1.039 3191 R CA -0.729 55.256 56.100 -0.193 0.000 0.909 3191 R CB 1.342 31.550 30.300 -0.153 0.000 1.195 3191 R HN 0.351 nan 8.270 nan 0.000 0.438 3192 L N 3.360 124.468 121.223 -0.192 0.000 2.324 3192 L HA 0.411 4.751 4.340 -0.000 0.000 0.274 3192 L C -0.962 175.798 176.870 -0.183 0.000 1.012 3192 L CA -0.285 54.426 54.840 -0.215 0.000 0.859 3192 L CB 0.974 42.770 42.059 -0.438 0.000 1.224 3192 L HN 0.419 nan 8.230 nan 0.000 0.429 3193 K N 6.149 126.469 120.400 -0.132 0.000 2.227 3193 K HA 0.552 4.872 4.320 -0.000 0.000 0.280 3193 K C -1.174 175.295 176.600 -0.218 0.000 1.041 3193 K CA -0.399 55.810 56.287 -0.130 0.000 0.905 3193 K CB 1.296 33.761 32.500 -0.058 0.000 1.068 3193 K HN 0.546 nan 8.250 nan 0.000 0.470 3194 L N 3.359 124.427 121.223 -0.258 0.000 2.325 3194 L HA 0.324 4.664 4.340 -0.000 0.000 0.281 3194 L C -0.268 176.363 176.870 -0.400 0.000 1.004 3194 L CA -0.552 54.008 54.840 -0.467 0.000 0.823 3194 L CB 1.526 43.174 42.059 -0.685 0.000 1.236 3194 L HN 0.527 nan 8.230 nan 0.000 0.415 3195 E N 3.807 123.753 120.200 -0.424 0.000 2.114 3195 E HA 0.393 4.743 4.350 -0.000 0.000 0.266 3195 E C -1.094 175.337 176.600 -0.282 0.000 0.896 3195 E CA -0.451 55.815 56.400 -0.224 0.000 0.750 3195 E CB 1.447 31.062 29.700 -0.140 0.000 1.121 3195 E HN 0.261 nan 8.360 nan 0.000 0.413 3196 F N 1.288 121.260 119.950 0.037 0.000 2.370 3196 F HA 0.413 4.940 4.527 0.000 0.000 0.319 3196 F C 1.100 176.924 175.800 0.040 0.000 1.129 3196 F CA -0.742 57.295 58.000 0.061 0.000 1.109 3196 F CB 0.682 39.797 39.000 0.192 0.000 1.262 3196 F HN 0.400 nan 8.300 nan 0.000 0.534 3197 A N 1.620 124.584 122.820 0.240 0.000 2.406 3197 A HA 0.445 4.765 4.320 -0.000 0.000 0.243 3197 A C -0.308 177.327 177.584 0.085 0.000 1.082 3197 A CA -0.272 51.867 52.037 0.170 0.000 0.786 3197 A CB -0.065 19.090 19.000 0.259 0.000 1.029 3197 A HN 0.855 nan 8.150 nan 0.000 0.495 3198 N N -0.661 118.160 118.700 0.201 0.000 3.157 3198 N HA 0.237 4.977 4.740 -0.000 0.000 0.291 3198 N C -0.070 175.694 175.510 0.424 0.000 1.515 3198 N CA -0.825 52.376 53.050 0.252 0.000 0.807 3198 N CB 0.106 38.706 38.487 0.188 0.000 1.672 3198 N HN 0.288 nan 8.380 nan 0.000 0.592 3199 N N -0.190 118.783 118.700 0.455 0.000 2.272 3199 N HA -0.092 4.648 4.740 -0.000 0.000 0.185 3199 N C 0.450 176.145 175.510 0.309 0.000 1.014 3199 N CA 0.846 54.177 53.050 0.468 0.000 0.870 3199 N CB -0.494 38.250 38.487 0.428 0.000 0.975 3199 N HN 0.481 nan 8.380 nan 0.000 0.433 3200 N N -0.151 118.677 118.700 0.212 0.000 2.207 3200 N HA -0.072 4.668 4.740 -0.000 0.000 0.182 3200 N C 1.887 177.462 175.510 0.107 0.000 1.020 3200 N CA 1.609 54.752 53.050 0.154 0.000 0.858 3200 N CB -0.569 37.994 38.487 0.125 0.000 0.991 3200 N HN 0.459 nan 8.380 nan 0.000 0.427 3201 T N -1.972 112.635 114.554 0.089 0.000 3.009 3201 T HA 0.254 4.604 4.350 -0.000 0.000 0.258 3201 T C 1.905 176.586 174.700 -0.032 0.000 1.063 3201 T CA 0.736 62.869 62.100 0.055 0.000 1.139 3201 T CB -0.092 68.829 68.868 0.088 0.000 0.890 3201 T HN 0.101 nan 8.240 nan 0.000 0.471 3202 A N 0.626 123.335 122.820 -0.186 0.000 2.067 3202 A HA 0.415 4.735 4.320 -0.000 0.000 0.217 3202 A C 0.423 177.564 177.584 -0.739 0.000 1.156 3202 A CA 0.053 51.764 52.037 -0.543 0.000 0.683 3202 A CB -0.478 17.988 19.000 -0.889 0.000 0.808 3202 A HN 0.589 nan 8.150 nan 0.000 0.455 3203 F N -0.501 119.501 119.950 0.086 0.000 2.477 3203 F HA 0.640 5.167 4.527 0.000 0.000 0.335 3203 F C 0.279 176.110 175.800 0.051 0.000 1.130 3203 F CA -0.759 57.278 58.000 0.060 0.000 0.948 3203 F CB 1.743 40.759 39.000 0.026 0.000 1.154 3203 F HN 0.073 nan 8.300 nan 0.000 0.439 3204 A N 2.336 125.269 122.820 0.188 0.000 2.318 3204 A HA 0.853 5.173 4.320 -0.000 0.000 0.324 3204 A C -0.197 177.443 177.584 0.093 0.000 1.170 3204 A CA -0.605 51.497 52.037 0.109 0.000 0.810 3204 A CB 0.711 19.744 19.000 0.054 0.000 1.198 3204 A HN 0.907 nan 8.150 nan 0.000 0.484 3205 A N 1.654 124.517 122.820 0.071 0.000 2.346 3205 A HA 0.530 4.850 4.320 -0.000 0.000 0.252 3205 A C 0.423 178.023 177.584 0.027 0.000 1.089 3205 A CA -0.288 51.776 52.037 0.044 0.000 0.797 3205 A CB -0.023 19.001 19.000 0.040 0.000 1.047 3205 A HN 1.193 nan 8.150 nan 0.000 0.494 3206 V N 1.036 120.957 119.914 0.010 0.000 2.694 3206 V HA 0.374 4.494 4.120 -0.000 0.000 0.306 3206 V C 1.693 177.791 176.094 0.007 0.000 1.054 3206 V CA 1.834 64.136 62.300 0.004 0.000 1.161 3206 V CB 0.059 31.878 31.823 -0.007 0.000 0.916 3206 V HN 1.959 nan 8.190 nan 0.000 0.490 3207 G N 3.299 112.103 108.800 0.006 0.000 2.225 3207 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.254 3207 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.254 3207 G C 0.434 175.338 174.900 0.008 0.000 0.988 3207 G CA 0.308 45.410 45.100 0.003 0.000 0.625 3207 G HN 1.506 nan 8.290 nan 0.000 0.527 3208 A N -0.157 122.673 122.820 0.017 0.000 2.271 3208 A HA 0.644 4.965 4.320 -0.000 0.000 0.288 3208 A C 0.518 178.118 177.584 0.027 0.000 1.094 3208 A CA 0.151 52.202 52.037 0.023 0.000 0.828 3208 A CB 0.368 19.389 19.000 0.034 0.000 1.091 3208 A HN 0.540 nan 8.150 nan 0.000 0.493 3209 N N 1.184 119.904 118.700 0.033 0.000 2.431 3209 N HA 0.139 4.879 4.740 -0.000 0.000 0.265 3209 N C -1.693 173.838 175.510 0.036 0.000 1.184 3209 N CA -1.438 51.646 53.050 0.057 0.000 0.943 3209 N CB 0.985 39.506 38.487 0.058 0.000 1.080 3209 N HN 0.351 nan 8.380 nan 0.000 0.477 3210 P HA -0.025 nan 4.420 nan 0.000 0.255 3210 P C 1.534 178.657 177.300 -0.295 0.000 1.248 3210 P CA -0.113 62.912 63.100 -0.124 0.000 0.807 3210 P CB 0.462 32.063 31.700 -0.164 0.000 1.150 3211 L N 1.425 122.495 121.223 -0.255 0.000 2.010 3211 L HA -0.193 4.147 4.340 -0.000 0.000 0.219 3211 L C 1.762 178.443 176.870 -0.315 0.000 1.077 3211 L CA 2.206 56.787 54.840 -0.431 0.000 0.773 3211 L CB -0.885 41.143 42.059 -0.053 0.000 0.892 3211 L HN -0.119 nan 8.230 nan 0.000 0.436 3212 E N -0.201 119.962 120.200 -0.063 0.000 2.474 3212 E HA 0.312 4.662 4.350 -0.000 0.000 0.195 3212 E C 0.645 177.271 176.600 0.045 0.000 1.039 3212 E CA 0.585 57.034 56.400 0.081 0.000 0.881 3212 E CB -0.006 29.773 29.700 0.133 0.000 0.970 3212 E HN 0.566 nan 8.360 nan 0.000 0.486 3213 A N 0.686 123.481 122.820 -0.042 0.000 2.271 3213 A HA 0.481 4.801 4.320 -0.000 0.000 0.288 3213 A C 1.116 178.656 177.584 -0.074 0.000 1.094 3213 A CA -0.393 51.611 52.037 -0.054 0.000 0.828 3213 A CB 0.482 19.454 19.000 -0.046 0.000 1.091 3213 A HN 0.052 nan 8.150 nan 0.000 0.493 3214 I N -1.341 119.172 120.570 -0.096 0.000 2.810 3214 I HA 0.117 4.287 4.170 -0.000 0.000 0.262 3214 I C -0.379 175.541 176.117 -0.329 0.000 1.131 3214 I CA 0.669 61.875 61.300 -0.156 0.000 1.453 3214 I CB 0.008 37.965 38.000 -0.072 0.000 1.161 3214 I HN 0.593 nan 8.210 nan 0.000 0.444 3215 Y N 0.356 120.677 120.300 0.035 0.000 2.512 3215 Y HA 0.553 5.103 4.550 0.000 0.000 0.348 3215 Y C -0.277 175.684 175.900 0.103 0.000 0.990 3215 Y CA -0.735 57.427 58.100 0.103 0.000 1.033 3215 Y CB 1.790 40.374 38.460 0.206 0.000 1.259 3215 Y HN -0.069 nan 8.280 nan 0.000 0.461 3216 Q N 1.562 121.484 119.800 0.205 0.000 2.359 3216 Q HA 0.768 5.108 4.340 -0.000 0.000 0.274 3216 Q C -1.020 175.035 176.000 0.090 0.000 1.074 3216 Q CA -0.655 55.219 55.803 0.119 0.000 0.810 3216 Q CB 2.585 31.348 28.738 0.041 0.000 1.342 3216 Q HN 0.964 nan 8.270 nan 0.000 0.427 3217 G N 0.449 109.278 108.800 0.048 0.000 2.321 3217 G HA2 0.376 4.336 3.960 -0.000 0.000 0.298 3217 G HA3 0.376 4.336 3.960 -0.000 0.000 0.298 3217 G C -0.366 174.499 174.900 -0.059 0.000 1.385 3217 G CA -0.140 44.958 45.100 -0.004 0.000 0.856 3217 G HN 0.682 nan 8.290 nan 0.000 0.584 3218 A N -0.845 121.909 122.820 -0.111 0.000 2.178 3218 A HA 0.351 4.671 4.320 -0.000 0.000 0.218 3218 A C 2.159 179.503 177.584 -0.399 0.000 1.157 3218 A CA 2.533 54.457 52.037 -0.189 0.000 0.689 3218 A CB -0.363 18.531 19.000 -0.176 0.000 0.787 3218 A HN 1.923 nan 8.150 nan 0.000 0.465 3219 G N -1.731 106.845 108.800 -0.373 0.000 3.126 3219 G HA2 0.334 4.294 3.960 -0.000 0.000 0.224 3219 G HA3 0.334 4.294 3.960 -0.000 0.000 0.224 3219 G C 1.318 176.118 174.900 -0.168 0.000 1.142 3219 G CA 0.844 45.670 45.100 -0.457 0.000 0.759 3219 G HN 0.585 nan 8.290 nan 0.000 0.550 3220 A N 1.596 124.354 122.820 -0.104 0.000 1.903 3220 A HA 0.039 4.359 4.320 -0.000 0.000 0.219 3220 A C 2.778 180.346 177.584 -0.026 0.000 1.191 3220 A CA 2.413 54.431 52.037 -0.032 0.000 0.638 3220 A CB -0.827 18.216 19.000 0.073 0.000 0.823 3220 A HN 0.858 nan 8.150 nan 0.000 0.451 3221 A N -0.823 122.014 122.820 0.029 0.000 2.032 3221 A HA -0.174 4.146 4.320 -0.000 0.000 0.221 3221 A C 1.416 179.008 177.584 0.012 0.000 1.165 3221 A CA 1.817 53.885 52.037 0.051 0.000 0.645 3221 A CB -0.372 18.674 19.000 0.077 0.000 0.807 3221 A HN 0.504 nan 8.150 nan 0.000 0.453 3222 D N -1.205 119.193 120.400 -0.003 0.000 2.388 3222 D HA 0.182 4.822 4.640 -0.000 0.000 0.221 3222 D C -0.420 175.765 176.300 -0.192 0.000 1.133 3222 D CA -0.019 53.949 54.000 -0.055 0.000 0.831 3222 D CB -0.093 40.705 40.800 -0.003 0.000 0.962 3222 D HN 0.284 nan 8.370 nan 0.000 0.502 3223 C N 1.162 120.228 119.300 -0.390 0.000 2.401 3223 C HA 0.459 4.919 4.460 -0.000 0.000 0.365 3223 C C 0.601 175.163 174.990 -0.714 0.000 1.250 3223 C CA -0.471 58.067 59.018 -0.799 0.000 2.131 3223 C CB 0.786 27.551 27.740 -1.624 0.000 2.445 3223 C HN 0.205 nan 8.230 nan 0.000 0.550 3224 E N 0.659 120.561 120.200 -0.497 0.000 2.343 3224 E HA 0.362 4.712 4.350 -0.000 0.000 0.278 3224 E C -1.376 175.243 176.600 0.032 0.000 0.910 3224 E CA -0.485 55.869 56.400 -0.077 0.000 0.757 3224 E CB 1.562 31.264 29.700 0.003 0.000 1.218 3224 E HN 0.486 nan 8.360 nan 0.000 0.435 3225 F N 1.761 121.861 119.950 0.250 0.000 2.459 3225 F HA 0.055 4.582 4.527 -0.000 0.000 0.346 3225 F C 1.811 177.649 175.800 0.063 0.000 1.128 3225 F CA 0.354 58.457 58.000 0.171 0.000 1.268 3225 F CB 0.768 39.852 39.000 0.140 0.000 1.161 3225 F HN 0.496 nan 8.300 nan 0.000 0.583 3226 E N 1.222 121.556 120.200 0.224 0.000 2.201 3226 E HA 0.042 4.392 4.350 -0.000 0.000 0.193 3226 E C -0.209 176.426 176.600 0.058 0.000 0.957 3226 E CA 0.579 57.040 56.400 0.102 0.000 0.858 3226 E CB 0.355 30.084 29.700 0.050 0.000 0.816 3226 E HN 0.803 nan 8.360 nan 0.000 0.475 3227 E N -0.503 119.723 120.200 0.043 0.000 2.403 3227 E HA 0.507 4.857 4.350 -0.000 0.000 0.280 3227 E C -1.137 175.303 176.600 -0.267 0.000 1.101 3227 E CA -0.523 55.787 56.400 -0.150 0.000 0.856 3227 E CB 0.963 30.575 29.700 -0.147 0.000 1.303 3227 E HN -0.133 nan 8.360 nan 0.000 0.441 3228 I N 0.933 121.092 120.570 -0.684 0.000 2.686 3228 I HA 0.547 4.717 4.170 -0.000 0.000 0.295 3228 I C -0.980 174.603 176.117 -0.889 0.000 1.114 3228 I CA -0.939 59.884 61.300 -0.795 0.000 1.038 3228 I CB 2.288 39.583 38.000 -1.175 0.000 1.238 3228 I HN 0.562 nan 8.210 nan 0.000 0.420 3229 S N 4.065 119.474 115.700 -0.484 0.000 2.549 3229 S HA 0.776 5.246 4.470 -0.000 0.000 0.280 3229 S C -1.580 172.922 174.600 -0.163 0.000 1.109 3229 S CA -0.434 57.555 58.200 -0.353 0.000 0.905 3229 S CB 1.388 64.447 63.200 -0.234 0.000 1.081 3229 S HN 0.472 nan 8.310 nan 0.000 0.477 3230 Y N -0.032 120.181 120.300 -0.145 0.000 2.553 3230 Y HA 0.835 5.385 4.550 -0.000 0.000 0.347 3230 Y C -0.871 175.006 175.900 -0.039 0.000 1.019 3230 Y CA -0.883 57.197 58.100 -0.034 0.000 1.032 3230 Y CB 1.412 39.935 38.460 0.106 0.000 1.284 3230 Y HN 0.421 nan 8.280 nan 0.000 0.466 3231 T N 2.952 117.641 114.554 0.225 0.000 3.011 3231 T HA 0.503 4.853 4.350 -0.000 0.000 0.303 3231 T C -1.435 173.360 174.700 0.159 0.000 0.997 3231 T CA -0.638 61.509 62.100 0.078 0.000 1.007 3231 T CB 1.363 70.218 68.868 -0.022 0.000 1.017 3231 T HN 0.625 nan 8.240 nan 0.000 0.443 3232 V N 4.224 124.210 119.914 0.120 0.000 2.394 3232 V HA 0.475 4.595 4.120 -0.000 0.000 0.282 3232 V C -1.079 175.046 176.094 0.051 0.000 1.031 3232 V CA -0.728 61.668 62.300 0.159 0.000 0.881 3232 V CB 0.753 32.661 31.823 0.141 0.000 0.982 3232 V HN 0.810 nan 8.190 nan 0.000 0.451 3233 Y N 3.025 123.506 120.300 0.302 0.000 2.352 3233 Y HA 0.499 5.049 4.550 -0.000 0.000 0.339 3233 Y C 0.298 176.395 175.900 0.328 0.000 0.992 3233 Y CA -0.345 57.928 58.100 0.289 0.000 1.100 3233 Y CB 1.724 40.347 38.460 0.271 0.000 1.192 3233 Y HN 0.553 nan 8.280 nan 0.000 0.458 3234 Q N 2.119 122.182 119.800 0.439 0.000 2.290 3234 Q HA 0.434 4.774 4.340 -0.000 0.000 0.259 3234 Q C -0.929 175.220 176.000 0.248 0.000 0.941 3234 Q CA -0.557 55.414 55.803 0.281 0.000 0.912 3234 Q CB 1.343 30.287 28.738 0.345 0.000 1.244 3234 Q HN 0.656 nan 8.270 nan 0.000 0.441 3235 S N 4.251 119.994 115.700 0.071 0.000 2.429 3235 S HA 0.618 5.088 4.470 -0.000 0.000 0.302 3235 S C -1.376 173.282 174.600 0.097 0.000 1.115 3235 S CA -0.360 57.905 58.200 0.108 0.000 1.095 3235 S CB 0.202 63.577 63.200 0.292 0.000 0.987 3235 S HN 0.564 nan 8.310 nan 0.000 0.474 3236 Y N 2.132 122.419 120.300 -0.022 0.000 2.744 3236 Y HA 0.724 5.274 4.550 -0.000 0.000 0.330 3236 Y C -1.844 174.041 175.900 -0.024 0.000 1.263 3236 Y CA -1.569 56.507 58.100 -0.040 0.000 1.065 3236 Y CB 0.871 39.308 38.460 -0.037 0.000 1.306 3236 Y HN 0.394 nan 8.280 nan 0.000 0.459 3237 L N 2.310 123.630 121.223 0.163 0.000 2.313 3237 L HA 0.481 4.821 4.340 -0.000 0.000 0.283 3237 L C -1.014 175.966 176.870 0.183 0.000 1.013 3237 L CA -0.571 54.303 54.840 0.057 0.000 0.816 3237 L CB 1.484 43.551 42.059 0.013 0.000 1.236 3237 L HN 0.667 nan 8.230 nan 0.000 0.419 3238 D N 1.339 121.826 120.400 0.145 0.000 2.384 3238 D HA 0.271 4.911 4.640 -0.000 0.000 0.250 3238 D C -0.414 175.945 176.300 0.098 0.000 1.029 3238 D CA -0.052 54.060 54.000 0.187 0.000 0.990 3238 D CB 1.267 42.218 40.800 0.252 0.000 1.175 3238 D HN 0.427 nan 8.370 nan 0.000 0.532 3239 Q N 0.007 119.853 119.800 0.077 0.000 2.460 3239 Q HA -0.184 4.156 4.340 -0.000 0.000 0.311 3239 Q C -0.510 175.495 176.000 0.010 0.000 1.396 3239 Q CA 0.117 55.952 55.803 0.054 0.000 0.838 3239 Q CB -1.369 27.412 28.738 0.071 0.000 1.140 3239 Q HN 0.409 nan 8.270 nan 0.000 0.415 3240 L N 2.136 123.307 121.223 -0.087 0.000 2.499 3240 L HA 0.169 4.509 4.340 -0.000 0.000 0.273 3240 L C -1.146 175.689 176.870 -0.059 0.000 1.195 3240 L CA -1.356 53.373 54.840 -0.185 0.000 0.882 3240 L CB -0.291 41.429 42.059 -0.565 0.000 1.133 3240 L HN 0.078 nan 8.230 nan 0.000 0.483 3241 P HA 0.071 nan 4.420 nan 0.000 0.268 3241 P C -0.764 176.635 177.300 0.165 0.000 1.204 3241 P CA -0.096 63.048 63.100 0.073 0.000 0.768 3241 P CB 1.177 32.906 31.700 0.048 0.000 0.842 3242 V N 2.895 122.914 119.914 0.175 0.000 2.513 3242 V HA 0.727 4.847 4.120 -0.000 0.000 0.299 3242 V C 0.915 177.067 176.094 0.097 0.000 1.035 3242 V CA -0.033 62.379 62.300 0.187 0.000 0.889 3242 V CB 1.596 33.514 31.823 0.158 0.000 0.988 3242 V HN 0.909 nan 8.190 nan 0.000 0.440 3243 G N 2.144 110.990 108.800 0.075 0.000 3.247 3243 G HA2 0.584 4.544 3.960 -0.000 0.000 0.199 3243 G HA3 0.584 4.544 3.960 -0.000 0.000 0.199 3243 G C -0.265 174.650 174.900 0.026 0.000 1.172 3243 G CA 0.237 45.365 45.100 0.046 0.000 0.844 3243 G HN 0.789 nan 8.290 nan 0.000 0.619 3244 Q N -1.364 118.447 119.800 0.020 0.000 2.844 3244 Q HA 0.529 4.869 4.340 -0.000 0.000 0.235 3244 Q C 0.362 176.366 176.000 0.007 0.000 1.336 3244 Q CA 0.754 56.563 55.803 0.010 0.000 1.026 3244 Q CB -1.219 27.525 28.738 0.009 0.000 1.513 3244 Q HN 2.265 nan 8.270 nan 0.000 0.577 3245 N N -1.253 117.446 118.700 -0.000 0.000 3.400 3245 N HA 0.440 5.180 4.740 -0.000 0.000 0.134 3245 N C 1.237 176.736 175.510 -0.018 0.000 1.073 3245 N CA 0.860 53.907 53.050 -0.005 0.000 2.788 3245 N CB -1.294 37.197 38.487 0.007 0.000 1.172 3245 N HN 2.130 nan 8.380 nan 0.000 0.820 3246 G N -0.537 108.242 108.800 -0.034 0.000 2.484 3246 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.225 3246 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.225 3246 G C -0.224 174.681 174.900 0.010 0.000 1.250 3246 G CA -0.231 44.810 45.100 -0.097 0.000 0.926 3246 G HN 1.252 nan 8.290 nan 0.000 0.581 3247 Y N 0.348 120.658 120.300 0.017 0.000 2.712 3247 Y HA 0.301 4.851 4.550 -0.000 0.000 0.333 3247 Y C 1.517 177.427 175.900 0.017 0.000 1.225 3247 Y CA -0.203 57.909 58.100 0.020 0.000 1.499 3247 Y CB 0.311 38.784 38.460 0.023 0.000 1.288 3247 Y HN 0.333 nan 8.280 nan 0.000 0.575 3248 I N 6.139 126.827 120.570 0.196 0.000 2.308 3248 I HA 0.127 4.297 4.170 -0.000 0.000 0.293 3248 I C -0.608 175.555 176.117 0.077 0.000 1.078 3248 I CA 0.252 61.613 61.300 0.102 0.000 1.292 3248 I CB -0.002 38.040 38.000 0.071 0.000 1.423 3248 I HN 0.340 nan 8.210 nan 0.000 0.493 3249 L N 8.690 129.954 121.223 0.069 0.000 2.408 3249 L HA 0.507 4.847 4.340 -0.000 0.000 0.268 3249 L C -2.392 174.494 176.870 0.026 0.000 0.986 3249 L CA -1.903 52.964 54.840 0.045 0.000 0.820 3249 L CB 2.349 44.448 42.059 0.067 0.000 1.303 3249 L HN 0.340 nan 8.230 nan 0.000 0.411 3250 P HA 0.152 nan 4.420 nan 0.000 0.273 3250 P C 0.699 177.997 177.300 -0.004 0.000 1.428 3250 P CA -0.213 62.885 63.100 -0.003 0.000 0.995 3250 P CB 0.677 32.368 31.700 -0.015 0.000 1.286 3251 L N 2.776 124.000 121.223 0.001 0.000 2.079 3251 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 3251 L C 2.420 179.281 176.870 -0.014 0.000 1.081 3251 L CA 1.420 56.261 54.840 0.002 0.000 0.752 3251 L CB -0.552 41.511 42.059 0.007 0.000 0.896 3251 L HN 0.270 nan 8.230 nan 0.000 0.433 3252 I N -0.470 120.081 120.570 -0.032 0.000 2.233 3252 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 3252 I C 2.111 178.180 176.117 -0.080 0.000 1.093 3252 I CA 1.028 62.294 61.300 -0.057 0.000 1.380 3252 I CB -0.431 37.525 38.000 -0.073 0.000 1.067 3252 I HN 0.208 nan 8.210 nan 0.000 0.413 3253 D N 1.309 121.661 120.400 -0.079 0.000 2.106 3253 D HA -0.178 4.462 4.640 -0.000 0.000 0.191 3253 D C 2.165 178.436 176.300 -0.048 0.000 0.997 3253 D CA 1.479 55.425 54.000 -0.091 0.000 0.834 3253 D CB -0.396 40.367 40.800 -0.060 0.000 0.956 3253 D HN 0.271 nan 8.370 nan 0.000 0.448 3254 L N 0.307 121.523 121.223 -0.012 0.000 2.551 3254 L HA -0.013 4.327 4.340 -0.000 0.000 0.228 3254 L C 1.525 178.415 176.870 0.035 0.000 1.153 3254 L CA 0.714 55.568 54.840 0.025 0.000 0.851 3254 L CB -0.239 41.840 42.059 0.034 0.000 0.959 3254 L HN 0.031 nan 8.230 nan 0.000 0.451 3255 S N -3.258 112.445 115.700 0.005 0.000 2.663 3255 S HA 0.179 4.649 4.470 -0.000 0.000 0.243 3255 S C 0.503 175.093 174.600 -0.017 0.000 1.009 3255 S CA -0.559 57.646 58.200 0.007 0.000 0.988 3255 S CB 0.178 63.381 63.200 0.004 0.000 0.896 3255 S HN 0.085 nan 8.310 nan 0.000 0.502 3256 T N 2.821 117.351 114.554 -0.039 0.000 2.855 3256 T HA 0.598 4.948 4.350 -0.000 0.000 0.281 3256 T C -0.570 174.109 174.700 -0.036 0.000 1.007 3256 T CA -0.593 61.463 62.100 -0.073 0.000 1.009 3256 T CB 1.327 70.078 68.868 -0.195 0.000 0.983 3256 T HN 0.254 nan 8.240 nan 0.000 0.455 3257 L N 3.029 124.230 121.223 -0.037 0.000 2.295 3257 L HA 0.489 4.829 4.340 -0.000 0.000 0.285 3257 L C -0.999 175.940 176.870 0.116 0.000 1.035 3257 L CA -1.124 53.671 54.840 -0.075 0.000 0.806 3257 L CB 0.829 42.734 42.059 -0.256 0.000 1.214 3257 L HN 0.625 nan 8.230 nan 0.000 0.426 3258 Y N 4.264 124.601 120.300 0.063 0.000 2.402 3258 Y HA 0.484 5.034 4.550 -0.000 0.000 0.332 3258 Y C -0.878 174.967 175.900 -0.092 0.000 0.960 3258 Y CA -1.154 57.041 58.100 0.160 0.000 1.228 3258 Y CB 0.617 39.305 38.460 0.379 0.000 1.120 3258 Y HN 0.529 nan 8.280 nan 0.000 0.491 3259 N N 5.062 123.327 118.700 -0.726 0.000 2.312 3259 N HA 0.552 5.292 4.740 -0.000 0.000 0.296 3259 N C -1.894 173.108 175.510 -0.847 0.000 1.193 3259 N CA -0.627 51.925 53.050 -0.830 0.000 0.773 3259 N CB 2.306 40.303 38.487 -0.817 0.000 1.435 3259 N HN 0.486 nan 8.380 nan 0.000 0.484 3260 L N 0.728 121.654 121.223 -0.494 0.000 2.346 3260 L HA 0.521 4.861 4.340 -0.000 0.000 0.276 3260 L C 0.023 176.879 176.870 -0.024 0.000 1.006 3260 L CA -0.213 54.507 54.840 -0.201 0.000 0.817 3260 L CB 1.449 43.355 42.059 -0.256 0.000 1.272 3260 L HN 0.478 nan 8.230 nan 0.000 0.421 3261 E N 2.071 122.396 120.200 0.207 0.000 2.412 3261 E HA 0.475 4.825 4.350 -0.000 0.000 0.279 3261 E C -1.538 175.153 176.600 0.152 0.000 0.984 3261 E CA -0.915 55.602 56.400 0.195 0.000 0.788 3261 E CB 2.972 32.854 29.700 0.303 0.000 1.277 3261 E HN 0.644 nan 8.360 nan 0.000 0.455 3262 N N -0.133 118.593 118.700 0.043 0.000 2.455 3262 N HA 0.533 5.273 4.740 -0.000 0.000 0.278 3262 N C -1.268 174.272 175.510 0.049 0.000 1.291 3262 N CA -0.575 52.431 53.050 -0.073 0.000 0.780 3262 N CB 2.113 40.433 38.487 -0.278 0.000 1.520 3262 N HN 0.490 nan 8.380 nan 0.000 0.486 3263 S N -1.252 114.487 115.700 0.064 0.000 2.656 3263 S HA 0.862 5.332 4.470 -0.000 0.000 0.273 3263 S C -1.494 173.177 174.600 0.117 0.000 1.168 3263 S CA -0.960 57.306 58.200 0.110 0.000 0.817 3263 S CB 1.239 64.529 63.200 0.150 0.000 1.146 3263 S HN 1.035 nan 8.310 nan 0.000 0.475 3264 A N 0.950 123.844 122.820 0.124 0.000 2.355 3264 A HA 0.809 5.129 4.320 -0.000 0.000 0.317 3264 A C -1.024 176.639 177.584 0.132 0.000 1.094 3264 A CA -0.677 51.440 52.037 0.132 0.000 0.764 3264 A CB 1.253 20.332 19.000 0.132 0.000 1.230 3264 A HN 0.614 nan 8.150 nan 0.000 0.448 3265 Q N 0.386 120.283 119.800 0.161 0.000 2.353 3265 Q HA 0.736 5.076 4.340 -0.000 0.000 0.268 3265 Q C -0.555 175.594 176.000 0.247 0.000 1.045 3265 Q CA -0.438 55.505 55.803 0.233 0.000 0.811 3265 Q CB 2.218 31.145 28.738 0.315 0.000 1.305 3265 Q HN 0.978 nan 8.270 nan 0.000 0.447 3266 A N -0.282 122.693 122.820 0.259 0.000 2.435 3266 A HA 0.911 5.231 4.320 -0.000 0.000 0.296 3266 A C 0.305 178.034 177.584 0.241 0.000 1.147 3266 A CA -0.168 51.941 52.037 0.120 0.000 0.775 3266 A CB 1.542 20.581 19.000 0.065 0.000 1.340 3266 A HN 0.975 nan 8.150 nan 0.000 0.427 3267 G N -0.856 107.978 108.800 0.057 0.000 2.157 3267 G HA2 0.023 3.983 3.960 -0.000 0.000 0.118 3267 G HA3 0.023 3.983 3.960 -0.000 0.000 0.118 3267 G C -0.462 174.483 174.900 0.074 0.000 1.032 3267 G CA -0.126 45.079 45.100 0.175 0.000 0.697 3267 G HN 0.741 nan 8.290 nan 0.000 0.495 3268 L N 1.973 122.999 121.223 -0.328 0.000 2.371 3268 L HA 0.736 5.076 4.340 -0.000 0.000 0.272 3268 L C 0.898 177.686 176.870 -0.137 0.000 1.124 3268 L CA 0.458 55.064 54.840 -0.389 0.000 0.816 3268 L CB 1.622 43.295 42.059 -0.644 0.000 1.129 3268 L HN 0.403 nan 8.230 nan 0.000 0.448 3269 T N 0.376 114.884 114.554 -0.078 0.000 2.933 3269 T HA 0.537 4.887 4.350 -0.000 0.000 0.305 3269 T C -2.831 171.838 174.700 -0.052 0.000 1.092 3269 T CA -2.336 59.738 62.100 -0.043 0.000 1.008 3269 T CB 1.801 70.663 68.868 -0.010 0.000 1.102 3269 T HN 0.140 nan 8.240 nan 0.000 0.469 3270 P HA 0.125 nan 4.420 nan 0.000 0.261 3270 P C 0.217 177.487 177.300 -0.050 0.000 1.173 3270 P CA 0.739 63.811 63.100 -0.046 0.000 0.760 3270 P CB -0.172 31.510 31.700 -0.029 0.000 0.783 3271 N N -1.125 117.529 118.700 -0.076 0.000 2.778 3271 N HA -0.154 4.586 4.740 -0.000 0.000 0.249 3271 N C -0.686 174.786 175.510 -0.063 0.000 1.069 3271 N CA 0.297 53.302 53.050 -0.074 0.000 0.831 3271 N CB -1.405 37.062 38.487 -0.035 0.000 1.142 3271 N HN 0.130 nan 8.380 nan 0.000 0.573 3272 V N 0.631 120.505 119.914 -0.066 0.000 2.513 3272 V HA 0.259 4.379 4.120 -0.000 0.000 0.299 3272 V C 0.017 176.083 176.094 -0.047 0.000 1.035 3272 V CA -0.712 61.567 62.300 -0.034 0.000 0.889 3272 V CB 1.796 33.617 31.823 -0.003 0.000 0.988 3272 V HN 0.016 nan 8.190 nan 0.000 0.440 3273 D N 3.241 123.626 120.400 -0.024 0.000 2.382 3273 D HA 0.143 4.783 4.640 -0.000 0.000 0.259 3273 D C -0.548 175.768 176.300 0.026 0.000 1.224 3273 D CA 0.407 54.392 54.000 -0.023 0.000 0.894 3273 D CB 0.421 41.231 40.800 0.017 0.000 1.127 3273 D HN 0.350 nan 8.370 nan 0.000 0.487 3274 F N 3.667 123.526 119.950 -0.151 0.000 2.391 3274 F HA 0.305 4.832 4.527 0.000 0.000 0.359 3274 F C -0.621 175.121 175.800 -0.096 0.000 1.122 3274 F CA -0.742 57.183 58.000 -0.126 0.000 1.120 3274 F CB 0.723 39.618 39.000 -0.174 0.000 1.142 3274 F HN -0.003 nan 8.300 nan 0.000 0.483 3275 V N 7.068 126.724 119.914 -0.429 0.000 2.384 3275 V HA 0.363 4.483 4.120 -0.000 0.000 0.287 3275 V C -0.580 175.272 176.094 -0.404 0.000 1.020 3275 V CA -0.876 61.243 62.300 -0.302 0.000 0.850 3275 V CB 1.451 33.168 31.823 -0.178 0.000 0.987 3275 V HN 0.483 nan 8.190 nan 0.000 0.436 3276 V N 5.305 125.079 119.914 -0.233 0.000 2.311 3276 V HA 0.308 4.428 4.120 -0.000 0.000 0.275 3276 V C 0.196 176.172 176.094 -0.197 0.000 1.022 3276 V CA -0.699 61.476 62.300 -0.208 0.000 0.830 3276 V CB 1.098 32.870 31.823 -0.086 0.000 1.012 3276 V HN 0.805 nan 8.190 nan 0.000 0.452 3277 Q N 2.867 122.560 119.800 -0.178 0.000 2.364 3277 Q HA 0.210 4.550 4.340 -0.000 0.000 0.267 3277 Q C -0.680 175.181 176.000 -0.232 0.000 0.999 3277 Q CA 0.118 55.839 55.803 -0.136 0.000 0.886 3277 Q CB 0.869 29.553 28.738 -0.088 0.000 1.243 3277 Q HN 0.623 nan 8.270 nan 0.000 0.415 3278 Y N -0.030 120.166 120.300 -0.174 0.000 2.402 3278 Y HA 0.129 4.679 4.550 0.000 0.000 0.333 3278 Y C 0.939 176.708 175.900 -0.217 0.000 1.076 3278 Y CA -0.232 57.638 58.100 -0.384 0.000 1.299 3278 Y CB 0.777 38.932 38.460 -0.508 0.000 1.197 3278 Y HN 0.673 nan 8.280 nan 0.000 0.517 3279 A N 3.827 126.599 122.820 -0.079 0.000 2.863 3279 A HA 0.226 4.546 4.320 -0.000 0.000 0.246 3279 A C 1.132 178.621 177.584 -0.158 0.000 1.772 3279 A CA 0.549 52.521 52.037 -0.107 0.000 1.456 3279 A CB -2.171 16.717 19.000 -0.186 0.000 0.930 3279 A HN 1.123 nan 8.150 nan 0.000 0.630 3280 N N -1.019 117.667 118.700 -0.024 0.000 3.699 3280 N HA -0.059 4.681 4.740 -0.000 0.000 0.355 3280 N C 0.849 176.269 175.510 -0.150 0.000 1.094 3280 N CA 1.117 54.135 53.050 -0.054 0.000 2.627 3280 N CB -0.569 37.859 38.487 -0.098 0.000 0.583 3280 N HN 1.382 nan 8.380 nan 0.000 0.831 3281 L N -2.818 118.370 121.223 -0.058 0.000 3.898 3281 L HA -0.210 4.130 4.340 -0.000 0.000 0.382 3281 L C 0.876 177.945 176.870 0.332 0.000 0.711 3281 L CA 2.132 57.022 54.840 0.083 0.000 2.828 3281 L CB -2.113 39.933 42.059 -0.022 0.000 0.852 3281 L HN 0.916 nan 8.230 nan 0.000 0.694 3282 Y N 0.106 120.411 120.300 0.009 0.000 2.326 3282 Y HA 0.357 4.907 4.550 -0.000 0.000 0.333 3282 Y C 1.019 176.896 175.900 -0.039 0.000 1.240 3282 Y CA -0.799 57.154 58.100 -0.246 0.000 1.365 3282 Y CB 0.417 38.233 38.460 -1.074 0.000 1.289 3282 Y HN -0.029 nan 8.280 nan 0.000 0.548 3283 R N 2.496 123.067 120.500 0.118 0.000 2.278 3283 R HA 0.212 4.552 4.340 -0.000 0.000 0.322 3283 R C -1.802 174.554 176.300 0.094 0.000 1.058 3283 R CA -0.495 55.678 56.100 0.121 0.000 0.991 3283 R CB 0.116 30.424 30.300 0.015 0.000 1.140 3283 R HN 0.482 nan 8.270 nan 0.000 0.518 3284 Y N 3.263 123.682 120.300 0.198 0.000 2.531 3284 Y HA 0.024 4.574 4.550 -0.000 0.000 0.347 3284 Y C 1.325 177.301 175.900 0.126 0.000 1.024 3284 Y CA -0.228 58.004 58.100 0.221 0.000 1.306 3284 Y CB 0.472 39.077 38.460 0.241 0.000 1.149 3284 Y HN 0.483 nan 8.280 nan 0.000 0.527 3285 L N 1.906 123.253 121.223 0.207 0.000 2.162 3285 L HA 0.013 4.353 4.340 -0.000 0.000 0.205 3285 L C 0.796 177.786 176.870 0.199 0.000 1.086 3285 L CA 0.679 55.580 54.840 0.102 0.000 0.778 3285 L CB -0.131 41.897 42.059 -0.051 0.000 0.928 3285 L HN 0.624 nan 8.230 nan 0.000 0.446 3286 S N -2.045 113.838 115.700 0.304 0.000 2.570 3286 S HA 0.596 5.066 4.470 -0.000 0.000 0.270 3286 S C -0.627 174.188 174.600 0.357 0.000 1.149 3286 S CA -0.700 57.656 58.200 0.259 0.000 0.837 3286 S CB 2.342 65.739 63.200 0.328 0.000 1.124 3286 S HN -0.074 nan 8.310 nan 0.000 0.465 3287 T N 1.998 116.677 114.554 0.210 0.000 2.921 3287 T HA 0.595 4.945 4.350 -0.000 0.000 0.297 3287 T C -0.927 173.767 174.700 -0.011 0.000 1.013 3287 T CA -0.419 61.756 62.100 0.125 0.000 0.990 3287 T CB 0.866 69.836 68.868 0.171 0.000 1.023 3287 T HN 0.660 nan 8.240 nan 0.000 0.447 3288 I N 2.335 122.840 120.570 -0.107 0.000 2.465 3288 I HA 0.701 4.871 4.170 -0.000 0.000 0.291 3288 I C -0.277 175.710 176.117 -0.216 0.000 1.014 3288 I CA -1.008 60.266 61.300 -0.044 0.000 1.093 3288 I CB 1.719 39.790 38.000 0.119 0.000 1.267 3288 I HN 0.717 nan 8.210 nan 0.000 0.431 3289 A N 6.499 129.233 122.820 -0.144 0.000 2.335 3289 A HA 0.735 5.055 4.320 -0.000 0.000 0.304 3289 A C -1.003 176.658 177.584 0.127 0.000 1.118 3289 A CA -0.470 51.497 52.037 -0.115 0.000 0.757 3289 A CB 1.287 20.139 19.000 -0.248 0.000 1.188 3289 A HN 0.405 nan 8.150 nan 0.000 0.460 3290 V N 3.448 123.451 119.914 0.149 0.000 2.347 3290 V HA 0.292 4.412 4.120 -0.000 0.000 0.280 3290 V C -0.618 175.651 176.094 0.291 0.000 1.021 3290 V CA -0.399 62.030 62.300 0.215 0.000 0.847 3290 V CB 1.126 33.032 31.823 0.138 0.000 0.990 3290 V HN 0.779 nan 8.190 nan 0.000 0.444 3291 F N 5.331 125.362 119.950 0.136 0.000 2.515 3291 F HA 0.355 4.882 4.527 0.000 0.000 0.353 3291 F C 0.468 176.136 175.800 -0.221 0.000 1.213 3291 F CA -1.755 56.244 58.000 -0.001 0.000 1.194 3291 F CB 0.133 39.165 39.000 0.054 0.000 1.488 3291 F HN 0.605 nan 8.300 nan 0.000 0.619 3292 D N 4.165 124.535 120.400 -0.051 0.000 2.435 3292 D HA -0.025 4.615 4.640 -0.000 0.000 0.230 3292 D C -0.096 175.881 176.300 -0.538 0.000 1.215 3292 D CA 0.055 53.696 54.000 -0.599 0.000 0.947 3292 D CB -0.309 40.373 40.800 -0.196 0.000 1.048 3292 D HN 0.253 nan 8.370 nan 0.000 0.512 3293 N N 2.829 120.975 118.700 -0.924 0.000 3.050 3293 N HA 0.204 4.944 4.740 -0.000 0.000 0.289 3293 N C 0.794 176.017 175.510 -0.478 0.000 1.209 3293 N CA 0.459 53.026 53.050 -0.805 0.000 1.154 3293 N CB -0.444 37.354 38.487 -1.148 0.000 1.444 3293 N HN 0.613 nan 8.380 nan 0.000 0.529 3294 G N 0.919 109.531 108.800 -0.313 0.000 2.273 3294 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.280 3294 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.280 3294 G C 0.956 175.733 174.900 -0.204 0.000 1.047 3294 G CA 0.524 45.502 45.100 -0.202 0.000 0.869 3294 G HN 1.120 nan 8.290 nan 0.000 0.502 3295 G N -2.405 106.229 108.800 -0.278 0.000 2.195 3295 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.246 3295 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.246 3295 G C 0.432 175.217 174.900 -0.192 0.000 0.984 3295 G CA 0.653 45.663 45.100 -0.150 0.000 0.633 3295 G HN 1.726 nan 8.290 nan 0.000 0.525 3296 S N 0.147 115.603 115.700 -0.407 0.000 2.489 3296 S HA 0.765 5.235 4.470 -0.000 0.000 0.291 3296 S C -0.816 173.401 174.600 -0.637 0.000 1.151 3296 S CA -0.322 57.683 58.200 -0.325 0.000 1.082 3296 S CB 0.869 63.907 63.200 -0.270 0.000 1.019 3296 S HN 0.305 nan 8.310 nan 0.000 0.492 3297 F N 2.971 122.813 119.950 -0.181 0.000 2.445 3297 F HA 0.437 4.964 4.527 -0.000 0.000 0.348 3297 F C 0.456 176.190 175.800 -0.111 0.000 1.125 3297 F CA -0.860 57.042 58.000 -0.164 0.000 0.983 3297 F CB 1.135 40.041 39.000 -0.156 0.000 1.198 3297 F HN 0.385 nan 8.300 nan 0.000 0.436 3298 N N 1.460 120.151 118.700 -0.014 0.000 2.417 3298 N HA 0.491 5.231 4.740 -0.000 0.000 0.300 3298 N C -0.425 175.146 175.510 0.103 0.000 1.102 3298 N CA -0.676 52.386 53.050 0.020 0.000 0.886 3298 N CB 2.218 40.679 38.487 -0.044 0.000 1.203 3298 N HN 0.568 nan 8.380 nan 0.000 0.496 3299 A N 0.665 123.544 122.820 0.099 0.000 3.063 3299 A HA 0.456 4.776 4.320 -0.000 0.000 0.263 3299 A C 1.359 179.051 177.584 0.180 0.000 1.736 3299 A CA 0.327 52.443 52.037 0.132 0.000 1.408 3299 A CB -1.424 17.634 19.000 0.097 0.000 1.108 3299 A HN 0.911 nan 8.150 nan 0.000 0.621 3300 G N 1.094 110.062 108.800 0.280 0.000 2.302 3300 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.263 3300 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.263 3300 G C 1.356 176.336 174.900 0.133 0.000 0.995 3300 G CA 1.572 46.825 45.100 0.256 0.000 0.622 3300 G HN 1.577 nan 8.290 nan 0.000 0.538 3301 T N -0.695 113.919 114.554 0.100 0.000 3.025 3301 T HA 0.042 4.392 4.350 -0.000 0.000 0.270 3301 T C 1.486 176.210 174.700 0.040 0.000 1.126 3301 T CA 1.870 64.004 62.100 0.057 0.000 1.105 3301 T CB -0.232 68.659 68.868 0.039 0.000 0.884 3301 T HN 0.621 nan 8.240 nan 0.000 0.522 3302 D N 0.311 120.745 120.400 0.056 0.000 2.368 3302 D HA 0.249 4.889 4.640 -0.000 0.000 0.218 3302 D C 0.173 176.547 176.300 0.123 0.000 1.112 3302 D CA -0.497 53.542 54.000 0.065 0.000 0.834 3302 D CB -0.284 40.514 40.800 -0.004 0.000 0.953 3302 D HN 0.482 nan 8.370 nan 0.000 0.505 3303 I N 0.476 121.076 120.570 0.049 0.000 2.545 3303 I HA 0.223 4.393 4.170 -0.000 0.000 0.292 3303 I C 0.602 176.661 176.117 -0.097 0.000 1.040 3303 I CA -0.863 60.397 61.300 -0.067 0.000 1.068 3303 I CB 2.144 40.046 38.000 -0.162 0.000 1.251 3303 I HN -0.270 nan 8.210 nan 0.000 0.424 3304 N N 3.835 122.426 118.700 -0.182 0.000 2.220 3304 N HA 0.011 4.751 4.740 -0.000 0.000 0.182 3304 N C -0.576 174.923 175.510 -0.018 0.000 1.023 3304 N CA 1.348 54.329 53.050 -0.114 0.000 0.856 3304 N CB 0.281 38.652 38.487 -0.193 0.000 0.997 3304 N HN 0.627 nan 8.380 nan 0.000 0.429 3305 Y N -1.865 118.358 120.300 -0.129 0.000 2.713 3305 Y HA 0.641 5.191 4.550 -0.000 0.000 0.335 3305 Y C -1.774 173.955 175.900 -0.285 0.000 1.222 3305 Y CA -1.462 56.546 58.100 -0.153 0.000 1.061 3305 Y CB 0.482 38.891 38.460 -0.085 0.000 1.314 3305 Y HN -0.281 nan 8.280 nan 0.000 0.453 3306 L N 1.604 122.778 121.223 -0.082 0.000 2.333 3306 L HA 0.928 5.268 4.340 -0.000 0.000 0.263 3306 L C -0.141 176.612 176.870 -0.195 0.000 1.014 3306 L CA -0.547 54.006 54.840 -0.478 0.000 0.820 3306 L CB 2.218 43.498 42.059 -1.299 0.000 1.352 3306 L HN 0.897 nan 8.230 nan 0.000 0.421 3307 S N -0.160 115.323 115.700 -0.360 0.000 2.636 3307 S HA 0.546 5.016 4.470 -0.000 0.000 0.266 3307 S C -2.095 172.388 174.600 -0.195 0.000 1.147 3307 S CA -0.635 57.532 58.200 -0.055 0.000 0.815 3307 S CB 1.531 64.723 63.200 -0.013 0.000 1.119 3307 S HN 0.576 nan 8.310 nan 0.000 0.470 3308 Q N 1.243 121.040 119.800 -0.004 0.000 2.330 3308 Q HA 0.543 4.883 4.340 -0.000 0.000 0.269 3308 Q C -0.948 175.050 176.000 -0.003 0.000 1.022 3308 Q CA -0.584 55.241 55.803 0.038 0.000 0.796 3308 Q CB 2.253 31.062 28.738 0.120 0.000 1.271 3308 Q HN 0.552 nan 8.270 nan 0.000 0.450 3309 R N 1.103 121.606 120.500 0.004 0.000 2.686 3309 R HA 0.556 4.896 4.340 -0.000 0.000 0.283 3309 R C -0.851 175.434 176.300 -0.024 0.000 0.978 3309 R CA -0.228 55.857 56.100 -0.025 0.000 0.897 3309 R CB 1.705 31.991 30.300 -0.024 0.000 1.192 3309 R HN 0.743 nan 8.270 nan 0.000 0.457 3310 T N 0.048 114.568 114.554 -0.058 0.000 2.948 3310 T HA 0.581 4.931 4.350 -0.000 0.000 0.285 3310 T C 0.219 174.905 174.700 -0.024 0.000 1.019 3310 T CA -0.751 61.316 62.100 -0.055 0.000 1.013 3310 T CB 1.570 70.365 68.868 -0.121 0.000 1.117 3310 T HN 0.646 nan 8.240 nan 0.000 0.533 3311 A N 0.914 123.733 122.820 -0.003 0.000 2.535 3311 A HA 0.510 4.830 4.320 -0.000 0.000 0.290 3311 A C 1.316 178.895 177.584 -0.007 0.000 1.270 3311 A CA 0.420 52.456 52.037 -0.001 0.000 0.937 3311 A CB -2.206 16.800 19.000 0.010 0.000 1.096 3311 A HN 1.976 nan 8.150 nan 0.000 0.534 3312 N N 0.009 118.700 118.700 -0.015 0.000 2.542 3312 N HA 0.378 5.118 4.740 -0.000 0.000 0.218 3312 N C 1.126 176.622 175.510 -0.023 0.000 1.607 3312 N CA 0.809 53.849 53.050 -0.017 0.000 3.190 3312 N CB -1.912 36.564 38.487 -0.018 0.000 1.504 3312 N HN 2.273 nan 8.380 nan 0.000 1.106 3313 F N -0.292 119.643 119.950 -0.024 0.000 3.048 3313 F HA -0.096 4.431 4.527 -0.000 0.000 0.287 3313 F C 1.018 176.796 175.800 -0.037 0.000 0.796 3313 F CA 1.776 59.760 58.000 -0.027 0.000 1.111 3313 F CB -2.196 36.791 39.000 -0.023 0.000 1.320 3313 F HN 1.533 nan 8.300 nan 0.000 0.430 3314 S N 1.420 117.096 115.700 -0.041 0.000 2.439 3314 S HA 0.458 4.928 4.470 -0.000 0.000 0.282 3314 S C -0.305 174.259 174.600 -0.061 0.000 1.170 3314 S CA -0.000 58.170 58.200 -0.050 0.000 1.054 3314 S CB 0.305 63.476 63.200 -0.049 0.000 0.956 3314 S HN 0.486 nan 8.310 nan 0.000 0.490 3315 D N 3.409 123.770 120.400 -0.064 0.000 2.264 3315 D HA 0.148 4.788 4.640 -0.000 0.000 0.250 3315 D C 1.125 177.387 176.300 -0.063 0.000 1.113 3315 D CA -0.008 53.953 54.000 -0.065 0.000 0.871 3315 D CB 1.753 42.503 40.800 -0.083 0.000 1.167 3315 D HN 0.713 nan 8.370 nan 0.000 0.447 3316 T N -0.456 114.062 114.554 -0.060 0.000 3.065 3316 T HA 0.005 4.355 4.350 -0.000 0.000 0.252 3316 T C 0.976 175.650 174.700 -0.044 0.000 1.099 3316 T CA -0.125 61.938 62.100 -0.062 0.000 1.063 3316 T CB 0.170 68.988 68.868 -0.084 0.000 0.948 3316 T HN 0.592 nan 8.240 nan 0.000 0.506 3317 R N 0.276 120.765 120.500 -0.019 0.000 2.714 3317 R HA 0.310 4.650 4.340 -0.000 0.000 0.214 3317 R C -0.867 175.482 176.300 0.082 0.000 1.474 3317 R CA -0.648 55.455 56.100 0.004 0.000 1.435 3317 R CB -0.318 29.958 30.300 -0.041 0.000 1.517 3317 R HN 0.085 nan 8.270 nan 0.000 0.748 3318 K N 2.983 123.389 120.400 0.010 0.000 2.292 3318 K HA 0.279 4.599 4.320 -0.000 0.000 0.290 3318 K C -0.946 175.663 176.600 0.015 0.000 1.083 3318 K CA -0.167 56.102 56.287 -0.030 0.000 0.918 3318 K CB 0.432 32.806 32.500 -0.209 0.000 1.089 3318 K HN 0.447 nan 8.250 nan 0.000 0.473 3319 L N 3.375 124.700 121.223 0.170 0.000 2.370 3319 L HA 0.355 4.695 4.340 -0.000 0.000 0.266 3319 L C -0.291 176.712 176.870 0.223 0.000 1.002 3319 L CA -1.384 53.578 54.840 0.204 0.000 0.818 3319 L CB 1.927 44.169 42.059 0.305 0.000 1.325 3319 L HN 0.715 nan 8.230 nan 0.000 0.418 3320 D N 0.690 121.192 120.400 0.171 0.000 2.368 3320 D HA 0.128 4.768 4.640 -0.000 0.000 0.240 3320 D C -2.097 174.311 176.300 0.181 0.000 1.169 3320 D CA -1.146 52.947 54.000 0.155 0.000 0.906 3320 D CB 0.625 41.496 40.800 0.118 0.000 1.187 3320 D HN 0.207 nan 8.370 nan 0.000 0.435 3321 P HA -0.198 nan 4.420 nan 0.000 0.216 3321 P C 1.006 178.468 177.300 0.271 0.000 1.153 3321 P CA 1.502 64.698 63.100 0.159 0.000 0.858 3321 P CB 0.111 31.868 31.700 0.095 0.000 0.789 3322 K N -1.213 119.310 120.400 0.204 0.000 2.097 3322 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 3322 K C 1.914 178.634 176.600 0.199 0.000 1.050 3322 K CA 1.540 57.943 56.287 0.193 0.000 0.938 3322 K CB -0.625 31.955 32.500 0.134 0.000 0.718 3322 K HN 0.165 nan 8.250 nan 0.000 0.442 3323 T N 0.472 115.141 114.554 0.192 0.000 2.904 3323 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 3323 T C 1.183 176.006 174.700 0.205 0.000 1.059 3323 T CA 0.597 62.793 62.100 0.161 0.000 1.137 3323 T CB -0.132 68.811 68.868 0.126 0.000 0.879 3323 T HN 0.427 nan 8.240 nan 0.000 0.467 3324 W N 2.278 123.644 121.300 0.109 0.000 2.355 3324 W HA -0.089 4.571 4.660 -0.000 0.000 0.309 3324 W C 2.465 179.102 176.519 0.196 0.000 1.206 3324 W CA 1.296 58.727 57.345 0.143 0.000 1.284 3324 W CB -0.637 28.912 29.460 0.148 0.000 1.145 3324 W HN 0.292 nan 8.180 nan 0.000 0.502 3325 A N 0.940 124.054 122.820 0.490 0.000 1.933 3325 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 3325 A C 2.199 179.905 177.584 0.203 0.000 1.175 3325 A CA 2.678 54.940 52.037 0.376 0.000 0.628 3325 A CB -1.253 17.941 19.000 0.323 0.000 0.814 3325 A HN 0.304 nan 8.150 nan 0.000 0.444 3326 A N -0.817 122.093 122.820 0.150 0.000 1.908 3326 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 3326 A C 2.093 179.707 177.584 0.050 0.000 1.181 3326 A CA 1.745 53.833 52.037 0.085 0.000 0.627 3326 A CB -0.487 18.555 19.000 0.069 0.000 0.818 3326 A HN 0.514 nan 8.150 nan 0.000 0.445 3327 Q N -0.537 119.268 119.800 0.008 0.000 2.124 3327 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 3327 Q C 2.113 178.129 176.000 0.026 0.000 0.977 3327 Q CA 1.984 57.763 55.803 -0.041 0.000 0.850 3327 Q CB -1.221 27.404 28.738 -0.189 0.000 0.901 3327 Q HN 0.646 nan 8.270 nan 0.000 0.429 3328 T N 1.041 115.650 114.554 0.092 0.000 2.821 3328 T HA -0.051 4.299 4.350 -0.000 0.000 0.267 3328 T C 1.808 176.571 174.700 0.105 0.000 1.046 3328 T CA 0.710 62.937 62.100 0.212 0.000 1.139 3328 T CB -0.034 69.059 68.868 0.376 0.000 0.871 3328 T HN 0.258 nan 8.240 nan 0.000 0.454 3329 R N 0.702 121.244 120.500 0.070 0.000 2.152 3329 R HA 0.038 4.378 4.340 -0.000 0.000 0.232 3329 R C 2.440 178.745 176.300 0.009 0.000 1.117 3329 R CA 0.745 56.857 56.100 0.019 0.000 0.981 3329 R CB -0.047 30.269 30.300 0.027 0.000 0.870 3329 R HN 0.210 nan 8.270 nan 0.000 0.451 3330 R N 0.133 120.648 120.500 0.026 0.000 2.189 3330 R HA 0.022 4.362 4.340 -0.000 0.000 0.218 3330 R C 1.886 178.202 176.300 0.026 0.000 1.074 3330 R CA 0.711 56.823 56.100 0.019 0.000 0.991 3330 R CB 0.028 30.339 30.300 0.020 0.000 0.883 3330 R HN 0.163 nan 8.270 nan 0.000 0.457 3331 R N 0.507 121.037 120.500 0.050 0.000 2.105 3331 R HA 0.139 4.479 4.340 -0.000 0.000 0.214 3331 R C 2.053 178.346 176.300 -0.012 0.000 1.091 3331 R CA 0.838 56.978 56.100 0.067 0.000 1.007 3331 R CB -0.037 30.381 30.300 0.197 0.000 0.912 3331 R HN 0.311 nan 8.270 nan 0.000 0.450 3332 I N -3.761 116.760 120.570 -0.081 0.000 4.050 3332 I HA 0.472 4.642 4.170 -0.000 0.000 0.327 3332 I C 0.489 176.516 176.117 -0.150 0.000 1.473 3332 I CA 0.109 61.305 61.300 -0.172 0.000 1.124 3332 I CB 0.836 38.601 38.000 -0.392 0.000 1.129 3332 I HN -0.025 nan 8.210 nan 0.000 0.428 3333 A N 0.246 123.011 122.820 -0.092 0.000 2.861 3333 A HA -0.222 4.098 4.320 -0.000 0.000 0.261 3333 A C 0.653 178.190 177.584 -0.079 0.000 1.351 3333 A CA 1.705 53.700 52.037 -0.070 0.000 0.904 3333 A CB -2.288 16.673 19.000 -0.064 0.000 1.076 3333 A HN 0.803 nan 8.150 nan 0.000 0.729 3334 T N -1.888 112.600 114.554 -0.110 0.000 2.654 3334 T HA 0.498 4.848 4.350 -0.000 0.000 0.303 3334 T C -2.134 172.487 174.700 -0.132 0.000 1.656 3334 T CA 0.137 62.176 62.100 -0.102 0.000 0.971 3334 T CB 0.939 69.739 68.868 -0.114 0.000 1.811 3334 T HN 0.285 nan 8.240 nan 0.000 0.483 3335 D N 0.557 120.900 120.400 -0.096 0.000 2.217 3335 D HA 0.515 5.155 4.640 -0.000 0.000 0.248 3335 D C -0.290 175.923 176.300 -0.145 0.000 1.008 3335 D CA -0.132 53.832 54.000 -0.061 0.000 0.914 3335 D CB 0.826 41.644 40.800 0.030 0.000 1.182 3335 D HN 0.338 nan 8.370 nan 0.000 0.451 3336 F N 0.578 120.470 119.950 -0.096 0.000 2.399 3336 F HA 0.218 4.745 4.527 -0.000 0.000 0.313 3336 F C -1.338 174.368 175.800 -0.158 0.000 1.202 3336 F CA -1.256 56.611 58.000 -0.222 0.000 1.192 3336 F CB 0.055 38.817 39.000 -0.396 0.000 1.256 3336 F HN 0.062 nan 8.300 nan 0.000 0.558 3337 P HA -0.009 nan 4.420 nan 0.000 0.270 3337 P C -1.157 176.179 177.300 0.061 0.000 1.227 3337 P CA -0.257 62.914 63.100 0.118 0.000 0.788 3337 P CB 0.333 32.202 31.700 0.282 0.000 0.926 3338 K N 1.177 121.619 120.400 0.070 0.000 2.530 3338 K HA 0.106 4.426 4.320 -0.000 0.000 0.280 3338 K C 1.300 177.961 176.600 0.101 0.000 1.004 3338 K CA 1.287 57.615 56.287 0.069 0.000 1.071 3338 K CB -0.764 31.794 32.500 0.097 0.000 0.876 3338 K HN 0.861 nan 8.250 nan 0.000 0.487 3339 G N 1.185 109.991 108.800 0.010 0.000 2.179 3339 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 3339 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 3339 G C 0.033 174.848 174.900 -0.142 0.000 0.977 3339 G CA 0.076 45.225 45.100 0.082 0.000 0.641 3339 G HN 0.431 nan 8.290 nan 0.000 0.533 3340 V N 1.048 120.731 119.914 -0.384 0.000 2.370 3340 V HA 0.645 4.765 4.120 -0.000 0.000 0.279 3340 V C -0.267 175.443 176.094 -0.641 0.000 1.029 3340 V CA -0.768 61.304 62.300 -0.380 0.000 0.870 3340 V CB 0.809 32.408 31.823 -0.374 0.000 0.984 3340 V HN 0.255 nan 8.190 nan 0.000 0.451 3341 Y N 4.185 124.523 120.300 0.064 0.000 2.393 3341 Y HA 0.618 5.168 4.550 -0.000 0.000 0.341 3341 Y C -0.502 175.571 175.900 0.289 0.000 0.988 3341 Y CA -0.778 57.459 58.100 0.228 0.000 1.078 3341 Y CB 1.831 40.348 38.460 0.094 0.000 1.203 3341 Y HN 0.633 nan 8.280 nan 0.000 0.453 3342 Y N 2.241 122.839 120.300 0.497 0.000 2.468 3342 Y HA 0.676 5.226 4.550 -0.000 0.000 0.342 3342 Y C -1.199 175.019 175.900 0.530 0.000 1.021 3342 Y CA -1.836 56.458 58.100 0.323 0.000 1.079 3342 Y CB 1.734 40.297 38.460 0.171 0.000 1.226 3342 Y HN 0.800 nan 8.280 nan 0.000 0.460 3343 C N 6.594 125.667 119.300 -0.379 0.000 2.505 3343 C HA 0.363 4.823 4.460 -0.000 0.000 0.342 3343 C C -1.313 173.304 174.990 -0.620 0.000 1.121 3343 C CA -0.715 58.137 59.018 -0.277 0.000 1.306 3343 C CB -0.059 27.902 27.740 0.369 0.000 1.897 3343 C HN 0.888 nan 8.230 nan 0.000 0.446 3344 D N 3.900 123.998 120.400 -0.504 0.000 2.280 3344 D HA 0.301 4.941 4.640 -0.000 0.000 0.243 3344 D C 0.104 176.374 176.300 -0.050 0.000 1.129 3344 D CA 0.320 54.193 54.000 -0.212 0.000 0.848 3344 D CB 0.765 41.569 40.800 0.007 0.000 1.107 3344 D HN 0.712 nan 8.370 nan 0.000 0.471 3345 N N 3.413 122.127 118.700 0.024 0.000 2.377 3345 N HA 0.093 4.833 4.740 -0.000 0.000 0.259 3345 N C 1.103 176.651 175.510 0.063 0.000 1.332 3345 N CA -0.163 52.917 53.050 0.050 0.000 0.877 3345 N CB 0.701 39.232 38.487 0.074 0.000 1.299 3345 N HN 0.357 nan 8.380 nan 0.000 0.501 3346 R N 0.537 121.080 120.500 0.072 0.000 2.083 3346 R HA -0.067 4.273 4.340 -0.000 0.000 0.237 3346 R C 0.725 177.044 176.300 0.031 0.000 1.137 3346 R CA 1.290 57.425 56.100 0.059 0.000 0.951 3346 R CB 0.060 30.436 30.300 0.127 0.000 0.851 3346 R HN 0.069 nan 8.270 nan 0.000 0.434 3347 D N 0.231 120.658 120.400 0.045 0.000 2.224 3347 D HA -0.029 4.611 4.640 -0.000 0.000 0.205 3347 D C 0.134 176.459 176.300 0.040 0.000 0.965 3347 D CA 1.252 55.274 54.000 0.038 0.000 0.852 3347 D CB 0.242 41.065 40.800 0.039 0.000 0.947 3347 D HN 0.104 nan 8.370 nan 0.000 0.494 3348 K N 0.633 121.066 120.400 0.054 0.000 2.827 3348 K HA 0.279 4.599 4.320 -0.000 0.000 0.186 3348 K C -2.747 173.918 176.600 0.109 0.000 1.093 3348 K CA -1.446 54.891 56.287 0.083 0.000 0.993 3348 K CB 2.392 34.947 32.500 0.091 0.000 1.199 3348 K HN -0.109 nan 8.250 nan 0.000 0.598 3349 P HA -0.057 nan 4.420 nan 0.000 0.265 3349 P C -0.076 177.353 177.300 0.215 0.000 1.187 3349 P CA -0.122 63.052 63.100 0.123 0.000 0.766 3349 P CB 0.452 32.195 31.700 0.071 0.000 0.820 3350 I N 3.728 124.419 120.570 0.201 0.000 2.598 3350 I HA -0.019 4.151 4.170 -0.000 0.000 0.284 3350 I C -0.004 176.340 176.117 0.379 0.000 1.140 3350 I CA 0.363 61.780 61.300 0.194 0.000 1.420 3350 I CB -1.070 36.735 38.000 -0.324 0.000 1.387 3350 I HN 0.417 nan 8.210 nan 0.000 0.553 3351 Y N 6.534 126.942 120.300 0.181 0.000 2.359 3351 Y HA 0.217 4.767 4.550 -0.000 0.000 0.336 3351 Y C 0.320 176.154 175.900 -0.112 0.000 1.098 3351 Y CA -1.331 56.784 58.100 0.025 0.000 1.272 3351 Y CB 0.871 39.288 38.460 -0.071 0.000 1.112 3351 Y HN 0.709 nan 8.280 nan 0.000 0.481 3352 T N 2.338 116.802 114.554 -0.150 0.000 2.903 3352 T HA 0.374 4.724 4.350 -0.000 0.000 0.314 3352 T C 0.853 175.223 174.700 -0.551 0.000 1.078 3352 T CA 0.606 62.585 62.100 -0.201 0.000 1.114 3352 T CB 0.826 69.651 68.868 -0.073 0.000 0.987 3352 T HN 0.945 nan 8.240 nan 0.000 0.548 3353 L N -1.113 119.875 121.223 -0.392 0.000 3.294 3353 L HA -0.181 4.159 4.340 -0.000 0.000 0.437 3353 L C 1.617 178.253 176.870 -0.390 0.000 0.749 3353 L CA 1.230 55.836 54.840 -0.391 0.000 2.510 3353 L CB -1.497 40.255 42.059 -0.512 0.000 1.159 3353 L HN 0.834 nan 8.230 nan 0.000 0.602 3354 Q N 0.364 119.853 119.800 -0.519 0.000 2.391 3354 Q HA 0.070 4.410 4.340 -0.000 0.000 0.243 3354 Q C -0.190 175.565 176.000 -0.408 0.000 0.874 3354 Q CA 0.852 56.356 55.803 -0.498 0.000 0.950 3354 Q CB 0.903 29.226 28.738 -0.690 0.000 1.103 3354 Q HN 0.636 nan 8.270 nan 0.000 0.544 3355 Y N -2.328 117.943 120.300 -0.048 0.000 2.988 3355 Y HA 0.546 5.096 4.550 -0.000 0.000 0.241 3355 Y C -0.048 175.829 175.900 -0.040 0.000 0.904 3355 Y CA -0.932 57.150 58.100 -0.031 0.000 1.146 3355 Y CB -0.425 38.028 38.460 -0.011 0.000 1.178 3355 Y HN 0.156 nan 8.280 nan 0.000 0.584 3356 G N 1.764 110.638 108.800 0.123 0.000 2.907 3356 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.242 3356 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.242 3356 G C -0.335 174.621 174.900 0.094 0.000 1.448 3356 G CA -0.254 44.889 45.100 0.073 0.000 0.911 3356 G HN 0.651 nan 8.290 nan 0.000 0.553 3357 N N -0.860 117.868 118.700 0.047 0.000 2.454 3357 N HA 0.327 5.067 4.740 -0.000 0.000 0.254 3357 N C 0.245 175.801 175.510 0.075 0.000 1.228 3357 N CA 0.265 53.345 53.050 0.050 0.000 0.900 3357 N CB 1.394 39.891 38.487 0.018 0.000 1.089 3357 N HN 0.585 nan 8.380 nan 0.000 0.449 3358 V N -0.234 119.750 119.914 0.117 0.000 2.864 3358 V HA 0.826 4.946 4.120 -0.000 0.000 0.314 3358 V C 0.603 176.859 176.094 0.271 0.000 1.073 3358 V CA -0.870 61.510 62.300 0.134 0.000 0.956 3358 V CB 2.118 33.979 31.823 0.064 0.000 1.023 3358 V HN 0.810 nan 8.190 nan 0.000 0.435 3359 G N 0.818 109.763 108.800 0.242 0.000 2.612 3359 G HA2 0.652 4.612 3.960 -0.000 0.000 0.298 3359 G HA3 0.652 4.612 3.960 -0.000 0.000 0.298 3359 G C -1.955 173.098 174.900 0.254 0.000 1.336 3359 G CA -0.586 44.631 45.100 0.195 0.000 0.953 3359 G HN 0.479 nan 8.290 nan 0.000 0.482 3360 F N 1.924 121.873 119.950 -0.001 0.000 2.408 3360 F HA 0.656 5.183 4.527 -0.000 0.000 0.344 3360 F C -0.244 175.540 175.800 -0.026 0.000 1.112 3360 F CA -0.475 57.556 58.000 0.052 0.000 1.096 3360 F CB 1.683 40.661 39.000 -0.037 0.000 1.129 3360 F HN 0.282 nan 8.300 nan 0.000 0.486 3361 V N 6.445 126.066 119.914 -0.488 0.000 2.555 3361 V HA 0.599 4.719 4.120 -0.000 0.000 0.302 3361 V C -0.871 174.999 176.094 -0.373 0.000 1.038 3361 V CA -0.867 61.267 62.300 -0.278 0.000 0.887 3361 V CB 1.678 33.419 31.823 -0.136 0.000 0.991 3361 V HN 0.574 nan 8.190 nan 0.000 0.434 3362 V N 3.743 123.541 119.914 -0.193 0.000 2.525 3362 V HA 0.468 4.588 4.120 -0.000 0.000 0.299 3362 V C -0.412 175.481 176.094 -0.335 0.000 1.034 3362 V CA -0.654 61.461 62.300 -0.309 0.000 0.863 3362 V CB 2.018 33.663 31.823 -0.297 0.000 0.999 3362 V HN 0.886 nan 8.190 nan 0.000 0.423 3363 N N 6.717 125.080 118.700 -0.563 0.000 2.558 3363 N HA 0.378 5.118 4.740 -0.000 0.000 0.242 3363 N C -2.779 172.441 175.510 -0.483 0.000 0.979 3363 N CA -1.645 51.045 53.050 -0.601 0.000 0.931 3363 N CB 2.544 40.331 38.487 -1.166 0.000 1.122 3363 N HN 0.343 nan 8.380 nan 0.000 0.508 3364 P HA 0.148 nan 4.420 nan 0.000 0.279 3364 P C 0.163 177.392 177.300 -0.119 0.000 1.239 3364 P CA -0.181 62.790 63.100 -0.215 0.000 0.789 3364 P CB 1.999 33.569 31.700 -0.217 0.000 0.933 3365 K N 1.637 122.006 120.400 -0.051 0.000 2.211 3365 K HA 0.084 4.404 4.320 -0.000 0.000 0.201 3365 K C -0.115 176.479 176.600 -0.010 0.000 1.052 3365 K CA 0.898 57.164 56.287 -0.034 0.000 0.973 3365 K CB 0.331 32.820 32.500 -0.019 0.000 0.766 3365 K HN 0.428 nan 8.250 nan 0.000 0.466 3366 T N 0.587 115.155 114.554 0.024 0.000 2.916 3366 T HA 0.408 4.758 4.350 -0.000 0.000 0.298 3366 T C -1.537 173.191 174.700 0.046 0.000 1.031 3366 T CA -0.706 61.400 62.100 0.009 0.000 0.993 3366 T CB 2.342 71.197 68.868 -0.021 0.000 1.045 3366 T HN -0.191 nan 8.240 nan 0.000 0.454 3367 V N 4.131 124.052 119.914 0.012 0.000 2.419 3367 V HA 0.412 4.532 4.120 -0.000 0.000 0.287 3367 V C -0.349 175.724 176.094 -0.035 0.000 1.017 3367 V CA -1.112 61.203 62.300 0.024 0.000 0.844 3367 V CB 1.499 33.328 31.823 0.011 0.000 1.011 3367 V HN 0.773 nan 8.190 nan 0.000 0.429 3368 N N 2.340 120.993 118.700 -0.080 0.000 2.379 3368 N HA 0.232 4.972 4.740 -0.000 0.000 0.260 3368 N C 0.027 175.493 175.510 -0.072 0.000 1.254 3368 N CA -0.492 52.504 53.050 -0.091 0.000 0.958 3368 N CB 0.748 39.152 38.487 -0.138 0.000 1.208 3368 N HN 0.779 nan 8.380 nan 0.000 0.532 3369 Q N 0.573 120.335 119.800 -0.063 0.000 2.337 3369 Q HA -0.014 4.326 4.340 -0.000 0.000 0.270 3369 Q C -0.502 175.465 176.000 -0.054 0.000 1.002 3369 Q CA 0.120 55.894 55.803 -0.047 0.000 0.888 3369 Q CB 0.163 28.879 28.738 -0.037 0.000 1.222 3369 Q HN 0.436 nan 8.270 nan 0.000 0.400 3370 N N 0.340 119.016 118.700 -0.040 0.000 2.776 3370 N HA -0.185 4.555 4.740 -0.000 0.000 0.249 3370 N C -1.242 174.237 175.510 -0.050 0.000 1.111 3370 N CA 0.955 53.983 53.050 -0.036 0.000 0.711 3370 N CB -1.661 36.807 38.487 -0.032 0.000 1.065 3370 N HN 0.639 nan 8.380 nan 0.000 0.556 3371 A N 0.811 123.600 122.820 -0.051 0.000 2.371 3371 A HA 0.667 4.987 4.320 -0.000 0.000 0.257 3371 A C 0.873 178.446 177.584 -0.019 0.000 1.089 3371 A CA 0.189 52.209 52.037 -0.027 0.000 0.794 3371 A CB 0.625 19.648 19.000 0.038 0.000 1.029 3371 A HN 0.464 nan 8.150 nan 0.000 0.488 3372 R N 0.779 121.296 120.500 0.028 0.000 2.690 3372 R HA 0.605 4.945 4.340 -0.000 0.000 0.269 3372 R C -2.132 174.196 176.300 0.047 0.000 1.037 3372 R CA -0.927 55.165 56.100 -0.012 0.000 0.877 3372 R CB 0.868 31.184 30.300 0.027 0.000 1.255 3372 R HN 0.455 nan 8.270 nan 0.000 0.467 3373 L N 2.621 123.852 121.223 0.012 0.000 2.296 3373 L HA 0.478 4.818 4.340 -0.000 0.000 0.286 3373 L C -0.647 176.293 176.870 0.115 0.000 1.023 3373 L CA -1.032 53.848 54.840 0.066 0.000 0.812 3373 L CB 1.657 43.754 42.059 0.062 0.000 1.223 3373 L HN 0.445 nan 8.230 nan 0.000 0.421 3374 L N 4.833 126.142 121.223 0.143 0.000 2.257 3374 L HA 0.421 4.761 4.340 -0.000 0.000 0.290 3374 L C -0.200 176.741 176.870 0.118 0.000 1.044 3374 L CA -0.317 54.642 54.840 0.198 0.000 0.810 3374 L CB 1.112 43.366 42.059 0.325 0.000 1.193 3374 L HN 0.487 nan 8.230 nan 0.000 0.425 3375 M N 2.852 122.443 119.600 -0.016 0.000 2.209 3375 M HA 0.455 4.935 4.480 -0.000 0.000 0.355 3375 M C 0.335 176.343 176.300 -0.486 0.000 1.171 3375 M CA -0.338 54.773 55.300 -0.315 0.000 1.069 3375 M CB 1.349 33.710 32.600 -0.398 0.000 1.622 3375 M HN 0.559 nan 8.290 nan 0.000 0.459 3376 G N 3.520 111.907 108.800 -0.689 0.000 2.544 3376 G HA2 0.680 4.640 3.960 -0.000 0.000 0.313 3376 G HA3 0.680 4.640 3.960 -0.000 0.000 0.313 3376 G C -1.781 172.743 174.900 -0.627 0.000 1.316 3376 G CA -0.251 44.244 45.100 -1.009 0.000 0.944 3376 G HN 0.597 nan 8.290 nan 0.000 0.489 3377 Y N 0.230 120.583 120.300 0.089 0.000 2.485 3377 Y HA 0.578 5.128 4.550 0.000 0.000 0.345 3377 Y C 0.296 176.452 175.900 0.427 0.000 0.998 3377 Y CA -0.934 57.404 58.100 0.396 0.000 1.059 3377 Y CB 2.810 41.628 38.460 0.598 0.000 1.234 3377 Y HN 0.488 nan 8.280 nan 0.000 0.461 3378 E N 2.746 123.280 120.200 0.557 0.000 2.191 3378 E HA 0.424 4.774 4.350 -0.000 0.000 0.263 3378 E C -1.872 174.889 176.600 0.270 0.000 0.881 3378 E CA -0.673 55.893 56.400 0.276 0.000 0.757 3378 E CB 1.259 31.147 29.700 0.314 0.000 1.147 3378 E HN 0.584 nan 8.360 nan 0.000 0.414 3379 Y N 1.736 122.039 120.300 0.005 0.000 2.670 3379 Y HA 0.569 5.119 4.550 -0.000 0.000 0.334 3379 Y C -1.884 173.972 175.900 -0.074 0.000 1.185 3379 Y CA -1.467 56.539 58.100 -0.157 0.000 1.053 3379 Y CB 1.015 39.231 38.460 -0.407 0.000 1.298 3379 Y HN 0.285 nan 8.280 nan 0.000 0.459 3380 F N 0.814 120.865 119.950 0.168 0.000 2.480 3380 F HA 0.708 5.235 4.527 -0.000 0.000 0.329 3380 F C 0.224 176.087 175.800 0.105 0.000 1.091 3380 F CA -0.910 57.135 58.000 0.076 0.000 0.972 3380 F CB 2.517 41.508 39.000 -0.016 0.000 1.150 3380 F HN 0.740 nan 8.300 nan 0.000 0.467 3381 T N 1.052 115.758 114.554 0.253 0.000 2.889 3381 T HA 0.292 4.642 4.350 -0.000 0.000 0.315 3381 T C -1.039 173.711 174.700 0.083 0.000 1.291 3381 T CA -0.515 61.686 62.100 0.167 0.000 1.028 3381 T CB 1.556 70.506 68.868 0.137 0.000 1.235 3381 T HN 0.484 nan 8.240 nan 0.000 0.491 3382 S N 2.131 117.877 115.700 0.077 0.000 2.565 3382 S HA 0.384 4.854 4.470 -0.000 0.000 0.276 3382 S C 0.367 174.985 174.600 0.029 0.000 1.326 3382 S CA -0.586 57.634 58.200 0.034 0.000 1.045 3382 S CB 0.617 63.839 63.200 0.036 0.000 0.918 3382 S HN 0.660 nan 8.310 nan 0.000 0.505 3383 R N 0.887 121.390 120.500 0.005 0.000 2.726 3383 R HA 0.418 4.758 4.340 -0.000 0.000 0.272 3383 R C 1.466 177.778 176.300 0.021 0.000 1.097 3383 R CA 0.992 57.093 56.100 0.002 0.000 1.198 3383 R CB -0.374 29.927 30.300 0.002 0.000 1.114 3383 R HN 0.928 nan 8.270 nan 0.000 0.550 3384 T N -2.199 112.370 114.554 0.025 0.000 12.481 3384 T HA -0.342 4.008 4.350 -0.000 0.000 0.418 3384 T C 0.470 175.191 174.700 0.035 0.000 1.450 3384 T CA 2.900 65.018 62.100 0.031 0.000 2.393 3384 T CB -1.918 66.967 68.868 0.027 0.000 2.837 3384 T HN 1.173 nan 8.240 nan 0.000 0.792 3385 E N 0.000 120.223 120.200 0.039 0.000 2.725 3385 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 3385 E CA 0.000 nan 56.400 nan 0.000 0.976 3385 E CB 0.000 nan 29.700 nan 0.000 0.812 3385 E HN 0.000 nan 8.360 nan 0.000 0.440