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 1gw8_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 T 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 0.725 121.948 121.223 -0.000 0.000 2.718 3015 L HA 0.607 4.947 4.340 -0.000 0.000 0.242 3015 L C 2.169 179.038 176.870 -0.002 0.000 1.203 3015 L CA 1.796 56.636 54.840 -0.001 0.000 1.011 3015 L CB -2.769 39.289 42.059 -0.001 0.000 1.250 3015 L HN 1.250 nan 8.230 nan 0.000 0.437 3016 R N 0.641 121.140 120.500 -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 -1.210 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 -0.660 118.037 118.700 -0.005 0.000 2.333 3017 N HA -0.120 4.620 4.740 -0.000 0.000 0.178 3017 N C 1.810 177.313 175.510 -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 -0.039 119.756 119.800 -0.009 0.000 2.124 3018 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 3018 Q C 1.738 177.733 176.000 -0.009 0.000 0.977 3018 Q CA 1.502 57.300 55.803 -0.009 0.000 0.850 3018 Q CB -0.010 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 -0.932 118.864 119.800 -0.007 0.000 2.187 3019 Q HA -0.027 4.313 4.340 -0.000 0.000 0.199 3019 Q C 1.942 177.938 176.000 -0.007 0.000 0.957 3019 Q CA 0.914 56.713 55.803 -0.006 0.000 0.857 3019 Q CB 0.039 28.775 28.738 -0.003 0.000 0.929 3019 Q HN 0.372 nan 8.270 nan 0.000 0.453 3020 A N 0.836 123.650 122.820 -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 1.092 53.122 52.037 -0.012 0.000 0.620 3020 A CB -0.298 18.695 19.000 -0.013 0.000 0.819 3020 A HN 0.209 nan 8.150 nan 0.000 0.442 3021 M N -0.309 119.278 119.600 -0.022 0.000 2.086 3021 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 3021 M C 2.531 178.817 176.300 -0.023 0.000 1.067 3021 M CA 1.684 56.966 55.300 -0.029 0.000 1.116 3021 M CB -1.462 31.120 32.600 -0.029 0.000 1.348 3021 M HN 0.490 nan 8.290 nan 0.000 0.407 3022 A N 0.078 122.888 122.820 -0.016 0.000 1.902 3022 A HA 0.008 4.328 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 2.062 54.092 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 0.292 123.107 122.820 -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 54.166 52.037 -0.004 0.000 0.623 3023 A CB -0.793 18.205 19.000 -0.002 0.000 0.818 3023 A HN 0.651 nan 8.150 nan 0.000 0.443 3024 N N -0.285 118.407 118.700 -0.014 0.000 2.025 3024 N HA -0.170 4.570 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 1.764 54.802 53.050 -0.020 0.000 0.851 3024 N CB -0.367 38.099 38.487 -0.034 0.000 1.036 3024 N HN 0.283 nan 8.380 nan 0.000 0.422 3025 L N 1.249 122.458 121.223 -0.023 0.000 2.042 3025 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 3025 L C 2.347 179.210 176.870 -0.011 0.000 1.076 3025 L CA 1.858 56.686 54.840 -0.020 0.000 0.749 3025 L CB -1.204 40.843 42.059 -0.019 0.000 0.893 3025 L HN 0.433 nan 8.230 nan 0.000 0.432 3026 Q N -0.938 118.857 119.800 -0.007 0.000 2.084 3026 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 3026 Q C 2.122 178.122 176.000 0.001 0.000 0.978 3026 Q CA 1.858 57.660 55.803 -0.002 0.000 0.844 3026 Q CB -0.211 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 1.337 124.158 122.820 0.002 0.000 1.902 3027 A HA -0.222 4.098 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 1.536 53.577 52.037 0.007 0.000 0.623 3027 A CB -0.703 18.302 19.000 0.010 0.000 0.818 3027 A HN 0.438 nan 8.150 nan 0.000 0.443 3028 R N -0.316 120.180 120.500 -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 1.959 58.054 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 0.079 119.875 119.800 -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 1.799 57.599 55.803 -0.004 0.000 0.850 3029 Q CB -0.129 28.607 28.738 -0.003 0.000 0.901 3029 Q HN 0.457 nan 8.270 nan 0.000 0.422 3030 I N -0.185 120.387 120.570 0.003 0.000 2.252 3030 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 3030 I C 2.209 178.330 176.117 0.007 0.000 1.102 3030 I CA 0.681 61.986 61.300 0.009 0.000 1.385 3030 I CB -0.176 37.833 38.000 0.015 0.000 1.064 3030 I HN 0.040 nan 8.210 nan 0.000 0.414 3031 V N 1.198 121.113 119.914 0.002 0.000 2.287 3031 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 3031 V C 2.393 178.482 176.094 -0.008 0.000 1.053 3031 V CA 1.795 64.091 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 -0.584 120.632 121.223 -0.011 0.000 2.083 3032 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 3032 L C 2.662 179.524 176.870 -0.013 0.000 1.083 3032 L CA 1.647 56.475 54.840 -0.020 0.000 0.752 3032 L CB -0.580 41.466 42.059 -0.022 0.000 0.899 3032 L HN 0.415 nan 8.230 nan 0.000 0.433 3033 Q N -0.897 118.902 119.800 -0.001 0.000 2.187 3033 Q HA -0.135 4.205 4.340 -0.000 0.000 0.199 3033 Q C 2.163 178.178 176.000 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 0.508 nan 8.270 nan 0.000 0.453 3034 Q N 0.461 120.276 119.800 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 56.389 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 -0.502 115.222 115.700 0.040 0.000 2.645 3035 S HA 0.341 4.811 4.470 -0.000 0.000 0.266 3035 S C -0.644 174.019 174.600 0.104 0.000 1.258 3035 S CA -0.654 57.580 58.200 0.056 0.000 0.990 3035 S CB 0.885 64.093 63.200 0.014 0.000 0.967 3035 S HN 0.196 nan 8.310 nan 0.000 0.556 3036 Y N 1.851 122.134 120.300 -0.029 0.000 2.350 3036 Y HA 0.519 5.069 4.550 -0.000 0.000 0.338 3036 Y C -2.557 173.293 175.900 -0.083 0.000 0.961 3036 Y CA -2.271 55.802 58.100 -0.046 0.000 1.100 3036 Y CB 1.948 40.386 38.460 -0.037 0.000 1.179 3036 Y HN 0.566 nan 8.280 nan 0.000 0.454 3037 P HA 0.196 nan 4.420 nan 0.000 0.271 3037 P C -1.267 175.805 177.300 -0.381 0.000 1.216 3037 P CA 0.129 62.978 63.100 -0.417 0.000 0.776 3037 P CB 1.950 33.400 31.700 -0.416 0.000 0.881 3038 V N 4.367 124.023 119.914 -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 -0.430 0.000 0.930 3038 V CB 2.470 33.873 31.823 -0.701 0.000 1.014 3038 V HN 0.534 nan 8.190 nan 0.000 0.425 3039 I N 4.205 124.688 120.570 -0.144 0.000 2.478 3039 I HA 0.638 4.808 4.170 -0.000 0.000 0.287 3039 I C -0.839 175.379 176.117 0.168 0.000 1.042 3039 I CA -0.096 61.221 61.300 0.028 0.000 1.067 3039 I CB 1.584 39.604 38.000 0.033 0.000 1.233 3039 I HN 0.933 nan 8.210 nan 0.000 0.431 3040 Q N 5.768 125.759 119.800 0.317 0.000 2.379 3040 Q HA 0.386 4.726 4.340 -0.000 0.000 0.278 3040 Q C -1.368 174.858 176.000 0.376 0.000 1.068 3040 Q CA -0.939 55.082 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 1.198 121.145 119.800 0.245 0.000 2.330 3041 Q HA 0.105 4.445 4.340 -0.000 0.000 0.279 3041 Q C -0.557 175.446 176.000 0.006 0.000 1.024 3041 Q CA 0.134 55.852 55.803 -0.141 0.000 0.900 3041 Q CB 1.084 29.669 28.738 -0.255 0.000 1.221 3041 Q HN 0.707 nan 8.270 nan 0.000 0.396 3042 V N 2.958 122.870 119.914 -0.004 0.000 2.908 3042 V HA 0.191 4.311 4.120 -0.000 0.000 0.240 3042 V C 0.182 176.295 176.094 0.032 0.000 1.117 3042 V CA 0.958 63.297 62.300 0.064 0.000 1.133 3042 V CB 0.426 32.327 31.823 0.130 0.000 0.857 3042 V HN 0.926 nan 8.190 nan 0.000 0.478 3043 E N -1.066 119.139 120.200 0.009 0.000 2.388 3043 E HA 0.406 4.756 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 56.068 56.400 0.019 0.000 0.820 3043 E CB 2.216 31.982 29.700 0.109 0.000 1.226 3043 E HN 0.158 nan 8.360 nan 0.000 0.432 3044 T N 2.567 117.031 114.554 -0.150 0.000 2.912 3044 T HA 0.496 4.846 4.350 -0.000 0.000 0.299 3044 T C -1.294 173.126 174.700 -0.467 0.000 1.052 3044 T CA -0.626 61.282 62.100 -0.319 0.000 0.996 3044 T CB 1.748 70.493 68.868 -0.206 0.000 1.070 3044 T HN 0.458 nan 8.240 nan 0.000 0.465 3045 Q N 0.785 120.092 119.800 -0.822 0.000 2.353 3045 Q HA 0.581 4.921 4.340 -0.000 0.000 0.275 3045 Q C -1.664 174.059 176.000 -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 3.610 118.045 114.554 -0.199 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 -0.000 0.000 0.993 3046 T CA -0.371 61.624 62.100 -0.175 0.000 0.967 3046 T CB 0.361 69.134 68.868 -0.157 0.000 0.960 3046 T HN 0.458 nan 8.240 nan 0.000 0.441 3047 F N -0.208 119.633 119.950 -0.181 0.000 2.779 3047 F HA 0.732 5.259 4.527 -0.000 0.000 0.316 3047 F C -1.596 174.170 175.800 -0.057 0.000 1.164 3047 F CA -1.318 56.641 58.000 -0.068 0.000 0.924 3047 F CB 1.146 40.169 39.000 0.039 0.000 1.348 3047 F HN 0.301 nan 8.300 nan 0.000 0.467 3048 D N 2.281 122.761 120.400 0.134 0.000 2.349 3048 D HA 0.366 5.006 4.640 -0.000 0.000 0.232 3048 D C -1.892 174.562 176.300 0.255 0.000 1.071 3048 D CA -2.616 51.419 54.000 0.058 0.000 0.832 3048 D CB 2.246 43.100 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 0.882 178.304 177.300 0.203 0.000 1.151 3049 P CA 0.417 63.682 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 -0.092 122.836 122.820 0.179 0.000 2.066 3050 A HA -0.111 4.209 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 1.143 53.270 52.037 0.151 0.000 0.670 3050 A CB -0.739 18.346 19.000 0.142 0.000 0.804 3050 A HN 0.144 nan 8.150 nan 0.000 0.453 3051 N N -1.023 117.760 118.700 0.138 0.000 2.349 3051 N HA 0.081 4.821 4.740 -0.000 0.000 0.180 3051 N C 0.753 176.303 175.510 0.066 0.000 1.024 3051 N CA 0.655 53.766 53.050 0.102 0.000 0.869 3051 N CB 0.114 38.673 38.487 0.120 0.000 1.022 3051 N HN 0.517 nan 8.380 nan 0.000 0.433 3052 R N -0.172 120.388 120.500 0.101 0.000 2.561 3052 R HA 0.231 4.571 4.340 -0.000 0.000 0.266 3052 R C -0.682 175.618 176.300 -0.001 0.000 1.091 3052 R CA -0.044 56.022 56.100 -0.058 0.000 0.927 3052 R CB 0.889 31.047 30.300 -0.236 0.000 1.240 3052 R HN 0.098 nan 8.270 nan 0.000 0.449 3053 S N 1.077 116.748 115.700 -0.047 0.000 2.733 3053 S HA 0.208 4.678 4.470 -0.000 0.000 0.247 3053 S C -0.230 174.458 174.600 0.148 0.000 1.043 3053 S CA -0.234 58.068 58.200 0.169 0.000 1.066 3053 S CB 0.826 64.151 63.200 0.207 0.000 1.045 3053 S HN 0.165 nan 8.310 nan 0.000 0.586 3054 V N 2.712 122.499 119.914 -0.212 0.000 2.417 3054 V HA 0.643 4.763 4.120 -0.000 0.000 0.291 3054 V C -1.339 174.450 176.094 -0.509 0.000 1.024 3054 V CA -0.552 61.636 62.300 -0.186 0.000 0.861 3054 V CB 0.964 32.687 31.823 -0.167 0.000 0.985 3054 V HN 0.405 nan 8.190 nan 0.000 0.436 3055 F N 2.087 121.975 119.950 -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 -0.837 57.101 58.000 -0.104 0.000 0.911 3055 F CB 1.918 40.882 39.000 -0.060 0.000 1.190 3055 F HN 0.385 nan 8.300 nan 0.000 0.448 3056 D N 3.175 123.595 120.400 0.033 0.000 2.427 3056 D HA 0.360 5.000 4.640 -0.000 0.000 0.226 3056 D C -0.963 175.338 176.300 0.001 0.000 1.076 3056 D CA -0.068 53.916 54.000 -0.027 0.000 0.849 3056 D CB 1.426 42.187 40.800 -0.065 0.000 1.052 3056 D HN 0.198 nan 8.370 nan 0.000 0.515 3057 V N 3.303 123.192 119.914 -0.042 0.000 2.546 3057 V HA 0.294 4.414 4.120 -0.000 0.000 0.284 3057 V C 0.796 176.850 176.094 -0.067 0.000 1.050 3057 V CA -0.332 61.949 62.300 -0.032 0.000 0.981 3057 V CB 1.668 33.435 31.823 -0.093 0.000 0.990 3057 V HN 0.503 nan 8.190 nan 0.000 0.474 3058 T N 6.728 121.267 114.554 -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 61.183 62.100 -0.026 0.000 0.973 3058 T CB 0.988 69.848 68.868 -0.013 0.000 1.036 3058 T HN 0.481 nan 8.240 nan 0.000 0.502 3059 P HA 0.310 nan 4.420 nan 0.000 0.269 3059 P C -0.533 176.824 177.300 0.095 0.000 1.215 3059 P CA -0.434 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 -0.031 0.000 1.095 3060 A CA -0.275 51.767 52.037 0.009 0.000 0.791 3060 A CB -0.287 18.698 19.000 -0.024 0.000 1.029 3060 A HN 0.465 nan 8.150 nan 0.000 0.489 3061 N N 1.205 119.883 118.700 -0.036 0.000 2.602 3061 N HA 0.427 5.167 4.740 -0.000 0.000 0.238 3061 N C -1.246 174.205 175.510 -0.097 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 -0.260 0.000 0.906 3062 V CB 1.330 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 4.905 113.655 108.800 -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 -0.121 174.770 174.900 -0.015 0.000 1.300 3063 G CA 0.480 45.562 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 0.353 4.523 4.170 -0.000 0.000 0.291 3064 I C 0.458 176.610 176.117 0.059 0.000 1.019 3064 I CA -0.636 60.678 61.300 0.023 0.000 1.302 3064 I CB 1.457 39.462 38.000 0.007 0.000 1.401 3064 I HN 0.302 nan 8.210 nan 0.000 0.485 3065 V N 7.601 127.523 119.914 0.013 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 -0.104 0.000 1.043 3065 V CA -0.304 61.968 62.300 -0.047 0.000 0.925 3065 V CB 1.229 32.986 31.823 -0.110 0.000 0.985 3065 V HN 0.743 nan 8.190 nan 0.000 0.466 3066 K N 2.791 123.129 120.400 -0.104 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 -0.169 0.000 1.049 3066 K CA 0.708 56.973 56.287 -0.037 0.000 0.991 3066 K CB 0.664 33.230 32.500 0.109 0.000 0.836 3066 K HN 0.934 nan 8.250 nan 0.000 0.500 3067 G N -0.171 108.299 108.800 -0.549 0.000 2.315 3067 G HA2 0.343 4.303 3.960 -0.000 0.000 0.294 3067 G HA3 0.343 4.303 3.960 -0.000 0.000 0.294 3067 G C -1.951 172.069 174.900 -1.466 0.000 1.300 3067 G CA -1.062 43.356 45.100 -1.136 0.000 0.843 3067 G HN -0.012 nan 8.290 nan 0.000 0.527 3068 F N -0.513 118.850 119.950 -0.978 0.000 2.547 3068 F HA 0.673 5.200 4.527 -0.000 0.000 0.316 3068 F C -0.219 175.471 175.800 -0.182 0.000 1.121 3068 F CA -0.849 56.922 58.000 -0.382 0.000 0.911 3068 F CB 2.353 41.227 39.000 -0.210 0.000 1.179 3068 F HN 0.422 nan 8.300 nan 0.000 0.443 3069 L N 4.373 125.867 121.223 0.453 0.000 2.272 3069 L HA 0.719 5.059 4.340 -0.000 0.000 0.289 3069 L C -1.049 176.159 176.870 0.563 0.000 1.032 3069 L CA -0.516 54.715 54.840 0.653 0.000 0.810 3069 L CB 1.148 43.626 42.059 0.699 0.000 1.205 3069 L HN 0.409 nan 8.230 nan 0.000 0.422 3070 V N 5.637 125.843 119.914 0.488 0.000 2.357 3070 V HA 0.392 4.512 4.120 -0.000 0.000 0.284 3070 V C 0.057 176.313 176.094 0.271 0.000 1.018 3070 V CA -0.822 61.698 62.300 0.366 0.000 0.841 3070 V CB 1.172 33.146 31.823 0.252 0.000 0.991 3070 V HN 0.722 nan 8.190 nan 0.000 0.437 3071 K N 4.284 124.754 120.400 0.117 0.000 2.201 3071 K HA 0.676 4.996 4.320 -0.000 0.000 0.278 3071 K C -1.328 175.239 176.600 -0.055 0.000 1.027 3071 K CA -0.342 55.727 56.287 -0.363 0.000 0.909 3071 K CB 1.483 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 3.667 123.533 119.914 -0.081 0.000 2.577 3072 V HA 0.334 4.454 4.120 -0.000 0.000 0.303 3072 V C -0.289 175.821 176.094 0.027 0.000 1.042 3072 V CA -0.827 61.538 62.300 0.108 0.000 0.872 3072 V CB 1.644 33.661 31.823 0.323 0.000 0.998 3072 V HN 1.022 nan 8.190 nan 0.000 0.423 3073 T N 1.375 115.931 114.554 0.003 0.000 2.924 3073 T HA 0.977 5.327 4.350 -0.000 0.000 0.291 3073 T C -0.466 174.232 174.700 -0.003 0.000 1.045 3073 T CA -0.447 61.657 62.100 0.007 0.000 1.015 3073 T CB 2.365 71.227 68.868 -0.010 0.000 1.103 3073 T HN 1.449 nan 8.240 nan 0.000 0.496 3074 A N 0.368 123.222 122.820 0.057 0.000 2.612 3074 A HA 0.898 5.218 4.320 -0.000 0.000 0.293 3074 A C -1.109 176.553 177.584 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 0.277 0.000 1.279 3074 A HN 1.733 nan 8.150 nan 0.000 0.411 3075 A N 0.991 123.897 122.820 0.142 0.000 2.330 3075 A HA 0.798 5.118 4.320 -0.000 0.000 0.313 3075 A C -0.908 176.749 177.584 0.123 0.000 1.124 3075 A CA -0.293 51.802 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 0.797 nan 8.150 nan 0.000 0.465 3076 I N 1.594 122.187 120.570 0.037 0.000 2.545 3076 I HA 0.427 4.597 4.170 -0.000 0.000 0.292 3076 I C -0.326 175.712 176.117 -0.131 0.000 1.040 3076 I CA -0.290 60.974 61.300 -0.059 0.000 1.068 3076 I CB 2.730 40.667 38.000 -0.105 0.000 1.251 3076 I HN 0.578 nan 8.210 nan 0.000 0.424 3077 T N 4.005 118.461 114.554 -0.165 0.000 2.807 3077 T HA 0.274 4.624 4.350 -0.000 0.000 0.279 3077 T C -0.396 174.150 174.700 -0.258 0.000 0.993 3077 T CA -0.602 61.395 62.100 -0.171 0.000 0.970 3077 T CB 1.149 69.956 68.868 -0.101 0.000 0.950 3077 T HN 0.417 nan 8.240 nan 0.000 0.441 3078 N N 2.758 121.318 118.700 -0.234 0.000 2.485 3078 N HA 0.189 4.929 4.740 -0.000 0.000 0.243 3078 N C -0.016 175.413 175.510 -0.135 0.000 0.987 3078 N CA -0.519 52.389 53.050 -0.237 0.000 0.940 3078 N CB 0.407 38.760 38.487 -0.224 0.000 1.122 3078 N HN 0.368 nan 8.380 nan 0.000 0.509 3079 N N 1.506 120.135 118.700 -0.119 0.000 2.276 3079 N HA -0.039 4.701 4.740 -0.000 0.000 0.212 3079 N C -0.323 175.157 175.510 -0.050 0.000 1.127 3079 N CA -0.112 52.892 53.050 -0.076 0.000 0.834 3079 N CB -0.188 38.251 38.487 -0.079 0.000 1.014 3079 N HN 0.654 nan 8.380 nan 0.000 0.491 3080 H N 0.318 119.322 119.070 -0.109 0.000 2.871 3080 H HA 0.195 4.751 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 0.387 56.385 56.048 -0.082 0.000 1.420 3080 H CB 1.095 30.807 29.762 -0.084 0.000 1.400 3080 H HN 0.132 nan 8.280 nan 0.000 0.604 3081 A N 2.582 125.194 122.820 -0.345 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 2.167 54.117 52.037 -0.146 0.000 0.635 3081 A CB -0.454 18.424 19.000 -0.203 0.000 0.810 3081 A HN 0.889 nan 8.150 nan 0.000 0.445 3082 T N -5.202 109.494 114.554 0.237 0.000 3.074 3082 T HA 0.178 4.528 4.350 -0.000 0.000 0.258 3082 T C 0.159 174.939 174.700 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 0.199 nan 8.240 nan 0.000 0.537 3083 E N 1.741 122.026 120.200 0.143 0.000 2.242 3083 E HA 0.744 5.094 4.350 -0.000 0.000 0.275 3083 E C -0.187 176.325 176.600 -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 1.683 124.439 122.820 -0.107 0.000 2.239 3084 A HA 0.683 5.003 4.320 -0.000 0.000 0.303 3084 A C -0.111 177.419 177.584 -0.089 0.000 1.114 3084 A CA -0.546 51.439 52.037 -0.087 0.000 0.871 3084 A CB 0.742 19.714 19.000 -0.047 0.000 1.201 3084 A HN 0.400 nan 8.150 nan 0.000 0.506 3085 V N -4.007 115.872 119.914 -0.059 0.000 3.007 3085 V HA 0.936 5.056 4.120 -0.000 0.000 0.311 3085 V C -0.222 175.957 176.094 0.142 0.000 1.120 3085 V CA -0.333 61.981 62.300 0.024 0.000 0.980 3085 V CB 1.099 32.933 31.823 0.019 0.000 1.033 3085 V HN 1.854 nan 8.190 nan 0.000 0.429 3086 A N 2.763 125.720 122.820 0.228 0.000 2.413 3086 A HA 0.856 5.176 4.320 -0.000 0.000 0.307 3086 A C -0.548 177.160 177.584 0.207 0.000 1.087 3086 A CA -0.979 51.202 52.037 0.240 0.000 0.750 3086 A CB 1.455 20.514 19.000 0.099 0.000 1.296 3086 A HN 1.082 nan 8.150 nan 0.000 0.423 3087 L N 1.834 123.075 121.223 0.031 0.000 2.514 3087 L HA 0.151 4.491 4.340 -0.000 0.000 0.280 3087 L C 1.487 178.261 176.870 -0.160 0.000 1.223 3087 L CA 0.105 54.764 54.840 -0.301 0.000 0.864 3087 L CB 0.505 42.417 42.059 -0.244 0.000 1.118 3087 L HN 0.997 nan 8.230 nan 0.000 0.494 3088 T N -2.000 112.430 114.554 -0.206 0.000 2.770 3088 T HA 0.091 4.441 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 -0.792 61.203 62.100 -0.175 0.000 0.955 3088 T CB 0.793 69.523 68.868 -0.230 0.000 1.060 3088 T HN 0.503 nan 8.240 nan 0.000 0.531 3089 D N -0.241 120.051 120.400 -0.180 0.000 2.178 3089 D HA -0.011 4.629 4.640 -0.000 0.000 0.201 3089 D C 1.521 177.977 176.300 0.260 0.000 0.980 3089 D CA 1.042 55.032 54.000 -0.017 0.000 0.842 3089 D CB -0.222 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 0.195 120.083 119.950 -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 0.433 58.408 58.000 -0.041 0.000 1.442 3090 F CB -0.946 38.006 39.000 -0.080 0.000 1.097 3090 F HN -0.019 nan 8.300 nan 0.000 0.547 3091 G N 2.637 111.463 108.800 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 -1.109 173.764 174.900 -0.045 0.000 1.271 3091 G CA 0.579 45.620 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 2.319 65.425 63.100 0.010 0.000 0.779 3092 P CB -0.380 31.319 31.700 -0.002 0.000 0.780 3093 A N 0.180 122.968 122.820 -0.052 0.000 2.121 3093 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 3093 A C 1.877 179.594 177.584 0.220 0.000 1.154 3093 A CA 1.109 53.113 52.037 -0.055 0.000 0.679 3093 A CB -1.033 17.830 19.000 -0.230 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 0.097 53.295 53.050 0.246 0.000 0.835 3094 N CB 0.032 38.647 38.487 0.214 0.000 0.989 3094 N HN 0.481 nan 8.380 nan 0.000 0.478 3095 L N -0.293 121.100 121.223 0.285 0.000 2.141 3095 L HA -0.013 4.327 4.340 -0.000 0.000 0.209 3095 L C 0.329 177.376 176.870 0.295 0.000 1.094 3095 L CA 0.807 55.846 54.840 0.331 0.000 0.763 3095 L CB 0.191 42.467 42.059 0.362 0.000 0.908 3095 L HN -0.116 nan 8.230 nan 0.000 0.437 3096 V N 0.005 120.015 119.914 0.161 0.000 2.370 3096 V HA 0.120 4.240 4.120 -0.000 0.000 0.283 3096 V C 0.558 176.558 176.094 -0.157 0.000 1.023 3096 V CA -0.524 61.646 62.300 -0.217 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 3.571 123.291 119.800 -0.134 0.000 2.123 3097 Q HA 0.200 4.540 4.340 -0.000 0.000 0.196 3097 Q C 0.453 176.361 176.000 -0.153 0.000 0.958 3097 Q CA 1.018 56.785 55.803 -0.061 0.000 0.841 3097 Q CB 0.441 29.179 28.738 0.000 0.000 0.915 3097 Q HN 0.613 nan 8.270 nan 0.000 0.455 3098 R N -0.756 119.603 120.500 -0.235 0.000 2.707 3098 R HA 0.616 4.956 4.340 -0.000 0.000 0.272 3098 R C -1.399 174.709 176.300 -0.320 0.000 1.011 3098 R CA -0.483 55.468 56.100 -0.248 0.000 0.893 3098 R CB 2.377 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 3.223 122.957 119.914 -0.301 0.000 2.686 3099 V HA 0.577 4.697 4.120 -0.000 0.000 0.306 3099 V C -1.030 174.932 176.094 -0.221 0.000 1.065 3099 V CA -0.742 61.376 62.300 -0.303 0.000 0.894 3099 V CB 2.083 33.694 31.823 -0.354 0.000 1.004 3099 V HN 0.533 nan 8.190 nan 0.000 0.424 3100 I N 4.689 125.148 120.570 -0.184 0.000 2.569 3100 I HA 0.492 4.662 4.170 -0.000 0.000 0.290 3100 I C -1.160 174.874 176.117 -0.139 0.000 1.088 3100 I CA -0.525 60.670 61.300 -0.174 0.000 1.047 3100 I CB 1.971 39.883 38.000 -0.147 0.000 1.237 3100 I HN 0.638 nan 8.210 nan 0.000 0.421 3101 Y N 6.100 126.216 120.300 -0.308 0.000 2.393 3101 Y HA 0.715 5.265 4.550 -0.000 0.000 0.341 3101 Y C -1.733 173.995 175.900 -0.287 0.000 0.988 3101 Y CA -0.848 57.109 58.100 -0.238 0.000 1.078 3101 Y CB 1.348 39.678 38.460 -0.217 0.000 1.203 3101 Y HN 0.464 nan 8.280 nan 0.000 0.453 3102 Y N 4.130 123.874 120.300 -0.928 0.000 2.425 3102 Y HA 0.305 4.855 4.550 -0.000 0.000 0.344 3102 Y C -0.248 175.086 175.900 -0.945 0.000 0.969 3102 Y CA -1.181 56.557 58.100 -0.603 0.000 1.052 3102 Y CB 1.310 39.578 38.460 -0.320 0.000 1.215 3102 Y HN 0.716 nan 8.280 nan 0.000 0.451 3103 D N 2.275 122.526 120.400 -0.249 0.000 2.478 3103 D HA 0.251 4.891 4.640 -0.000 0.000 0.269 3103 D C -2.194 174.099 176.300 -0.013 0.000 1.232 3103 D CA -2.227 51.724 54.000 -0.082 0.000 1.059 3103 D CB 0.242 41.179 40.800 0.229 0.000 1.104 3103 D HN 0.164 nan 8.370 nan 0.000 0.566 3104 P HA -0.069 nan 4.420 nan 0.000 0.221 3104 P C 0.075 177.393 177.300 0.029 0.000 1.145 3104 P CA 1.061 64.177 63.100 0.026 0.000 0.795 3104 P CB 0.098 31.826 31.700 0.046 0.000 0.775 3105 D N -1.994 118.441 120.400 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 0.100 54.132 54.000 0.054 0.000 0.850 3105 D CB -0.660 40.182 40.800 0.070 0.000 0.922 3105 D HN 0.004 nan 8.370 nan 0.000 0.516 3106 N N 1.096 119.829 118.700 0.054 0.000 2.741 3106 N HA -0.228 4.512 4.740 -0.000 0.000 0.250 3106 N C -0.323 175.304 175.510 0.194 0.000 1.115 3106 N CA 0.455 53.551 53.050 0.076 0.000 0.724 3106 N CB -0.910 37.570 38.487 -0.011 0.000 1.090 3106 N HN 0.165 nan 8.380 nan 0.000 0.558 3107 Q N 1.048 120.958 119.800 0.184 0.000 2.279 3107 Q HA 0.300 4.640 4.340 -0.000 0.000 0.256 3107 Q C -0.123 176.006 176.000 0.215 0.000 0.937 3107 Q CA -0.287 55.619 55.803 0.172 0.000 0.933 3107 Q CB 0.751 29.565 28.738 0.127 0.000 1.189 3107 Q HN 0.300 nan 8.270 nan 0.000 0.417 3108 R N 3.952 124.502 120.500 0.084 0.000 2.438 3108 R HA 0.190 4.530 4.340 -0.000 0.000 0.287 3108 R C -0.088 176.216 176.300 0.007 0.000 1.077 3108 R CA 0.068 56.076 56.100 -0.154 0.000 1.034 3108 R CB 0.423 30.538 30.300 -0.308 0.000 0.993 3108 R HN 0.884 nan 8.270 nan 0.000 0.459 3109 H N 0.904 119.913 119.070 -0.100 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 -0.458 55.559 56.048 -0.052 0.000 1.052 3109 H CB 0.142 29.949 29.762 0.075 0.000 1.383 3109 H HN 0.435 nan 8.280 nan 0.000 0.422 3110 T N 1.380 115.925 114.554 -0.014 0.000 2.940 3110 T HA 0.087 4.437 4.350 -0.000 0.000 0.309 3110 T C 0.086 174.700 174.700 -0.144 0.000 1.056 3110 T CA 0.523 62.532 62.100 -0.152 0.000 1.137 3110 T CB 0.314 69.052 68.868 -0.217 0.000 0.976 3110 T HN 0.419 nan 8.240 nan 0.000 0.547 3111 E N 1.776 121.895 120.200 -0.135 0.000 2.448 3111 E HA 0.440 4.790 4.350 -0.000 0.000 0.288 3111 E C -0.868 175.671 176.600 -0.101 0.000 0.936 3111 E CA -0.494 55.829 56.400 -0.129 0.000 0.809 3111 E CB 1.037 30.670 29.700 -0.110 0.000 1.408 3111 E HN 0.584 nan 8.360 nan 0.000 0.393 3112 T N 1.165 115.630 114.554 -0.147 0.000 2.665 3112 T HA 0.469 4.819 4.350 -0.000 0.000 0.303 3112 T C -0.995 173.548 174.700 -0.261 0.000 1.334 3112 T CA -0.158 61.847 62.100 -0.157 0.000 1.011 3112 T CB 1.008 69.839 68.868 -0.063 0.000 1.573 3112 T HN 0.459 nan 8.240 nan 0.000 0.492 3113 S N 0.012 115.474 115.700 -0.396 0.000 2.617 3113 S HA 0.486 4.956 4.470 -0.000 0.000 0.269 3113 S C 1.637 175.941 174.600 -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 63.518 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 -0.186 3.774 3.960 -0.000 0.000 0.218 3114 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 3114 G C 1.324 176.206 174.900 -0.030 0.000 1.154 3114 G CA 0.803 45.762 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 -0.509 0.000 1.212 3115 W CA 0.886 57.994 57.345 -0.396 0.000 1.260 3115 W CB -1.086 28.103 29.460 -0.452 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 -0.718 0.000 2.357 3116 H HA -0.172 4.384 4.556 -0.000 0.000 0.301 3116 H C 2.359 177.557 175.328 -0.216 0.000 1.082 3116 H CA 1.739 57.516 56.048 -0.453 0.000 1.342 3116 H CB -0.069 29.227 29.762 -0.778 0.000 1.389 3116 H HN 0.117 nan 8.280 nan 0.000 0.511 3117 L N 0.964 121.953 121.223 -0.391 0.000 2.042 3117 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 3117 L C 2.554 179.321 176.870 -0.171 0.000 1.076 3117 L CA 2.365 57.014 54.840 -0.318 0.000 0.749 3117 L CB -1.066 40.871 42.059 -0.203 0.000 0.893 3117 L HN 0.358 nan 8.230 nan 0.000 0.432 3118 H N -1.004 117.980 119.070 -0.144 0.000 2.353 3118 H HA -0.187 4.369 4.556 -0.000 0.000 0.300 3118 H C 1.916 177.216 175.328 -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 29.080 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 -0.197 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 0.552 58.482 58.000 -0.116 0.000 1.326 3119 F CB -0.036 38.938 39.000 -0.043 0.000 1.027 3119 F HN 0.085 nan 8.300 nan 0.000 0.497 3120 V N 0.262 120.166 119.914 -0.017 0.000 2.427 3120 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 3120 V C 1.645 177.679 176.094 -0.100 0.000 1.051 3120 V CA 1.964 64.237 62.300 -0.044 0.000 1.048 3120 V CB -0.782 30.954 31.823 -0.145 0.000 0.666 3120 V HN 0.376 nan 8.190 nan 0.000 0.456 3121 N N -0.265 118.284 118.700 -0.252 0.000 2.104 3121 N HA -0.188 4.552 4.740 -0.000 0.000 0.190 3121 N C 1.834 177.202 175.510 -0.236 0.000 1.024 3121 N CA 1.817 54.591 53.050 -0.459 0.000 0.853 3121 N CB -0.213 37.570 38.487 -1.173 0.000 1.008 3121 N HN 0.415 nan 8.380 nan 0.000 0.424 3122 T N 0.571 115.023 114.554 -0.171 0.000 2.708 3122 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 3122 T C 2.063 176.734 174.700 -0.048 0.000 1.037 3122 T CA 1.195 63.272 62.100 -0.037 0.000 1.146 3122 T CB -0.330 68.497 68.868 -0.069 0.000 0.865 3122 T HN 0.333 nan 8.240 nan 0.000 0.435 3123 A N 1.915 124.714 122.820 -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 1.369 53.351 52.037 -0.093 0.000 0.627 3123 A CB -0.325 18.562 19.000 -0.188 0.000 0.818 3123 A HN 0.304 nan 8.150 nan 0.000 0.445 3124 K N -0.586 119.811 120.400 -0.005 0.000 2.217 3124 K HA -0.139 4.181 4.320 -0.000 0.000 0.202 3124 K C 2.122 178.706 176.600 -0.027 0.000 1.051 3124 K CA 1.410 57.683 56.287 -0.023 0.000 0.952 3124 K CB -0.202 32.257 32.500 -0.068 0.000 0.736 3124 K HN 0.772 nan 8.250 nan 0.000 0.453 3125 Q N -0.006 119.796 119.800 0.004 0.000 2.187 3125 Q HA -0.069 4.271 4.340 -0.000 0.000 0.199 3125 Q C 0.677 176.665 176.000 -0.019 0.000 0.957 3125 Q CA 1.306 57.117 55.803 0.014 0.000 0.857 3125 Q CB 0.268 29.068 28.738 0.102 0.000 0.929 3125 Q HN 0.422 nan 8.270 nan 0.000 0.453 3126 G N -0.568 108.214 108.800 -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 -0.058 174.801 174.900 -0.068 0.000 0.984 3126 G CA 0.172 45.246 45.100 -0.043 0.000 0.660 3126 G HN 0.840 nan 8.290 nan 0.000 0.525 3127 A N -1.272 121.505 122.820 -0.072 0.000 2.586 3127 A HA 0.791 5.111 4.320 -0.000 0.000 0.291 3127 A C -3.155 174.395 177.584 -0.056 0.000 1.062 3127 A CA -0.747 51.240 52.037 -0.084 0.000 0.666 3127 A CB 0.713 19.674 19.000 -0.066 0.000 1.281 3127 A HN 0.156 nan 8.150 nan 0.000 0.421 3128 P HA 0.129 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 0.519 63.634 63.100 0.026 0.000 0.762 3128 P CB -0.147 31.569 31.700 0.027 0.000 0.764 3129 F N 5.763 125.719 119.950 0.010 0.000 2.580 3129 F HA -0.069 4.458 4.527 -0.000 0.000 0.398 3129 F C 1.173 176.994 175.800 0.036 0.000 1.023 3129 F CA 0.374 58.389 58.000 0.025 0.000 1.188 3129 F CB -0.426 38.614 39.000 0.065 0.000 1.005 3129 F HN 0.274 nan 8.300 nan 0.000 0.546 3130 L N 3.572 124.438 121.223 -0.595 0.000 3.976 3130 L HA -0.327 4.013 4.340 -0.000 0.000 0.418 3130 L C 0.655 177.375 176.870 -0.250 0.000 1.177 3130 L CA 0.549 55.056 54.840 -0.556 0.000 0.968 3130 L CB -2.381 39.196 42.059 -0.802 0.000 1.933 3130 L HN 0.726 nan 8.230 nan 0.000 0.976 3131 S N -1.840 113.778 115.700 -0.137 0.000 2.645 3131 S HA 0.514 4.984 4.470 -0.000 0.000 0.266 3131 S C 0.325 174.876 174.600 -0.080 0.000 1.258 3131 S CA -0.050 58.108 58.200 -0.070 0.000 0.990 3131 S CB 2.183 65.368 63.200 -0.025 0.000 0.967 3131 S HN 0.273 nan 8.310 nan 0.000 0.556 3132 S N 1.457 117.126 115.700 -0.051 0.000 2.474 3132 S HA 0.404 4.874 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 57.343 58.200 -0.044 0.000 1.106 3132 S CB -0.003 63.183 63.200 -0.024 0.000 0.984 3132 S HN 0.774 nan 8.310 nan 0.000 0.464 3133 M N 5.892 125.464 119.600 -0.047 0.000 2.238 3133 M HA 0.368 4.848 4.480 -0.000 0.000 0.347 3133 M C -1.062 175.218 176.300 -0.032 0.000 1.173 3133 M CA -0.255 55.019 55.300 -0.044 0.000 1.147 3133 M CB 0.638 33.201 32.600 -0.061 0.000 1.547 3133 M HN 0.423 nan 8.290 nan 0.000 0.455 3134 V N 4.730 124.631 119.914 -0.023 0.000 2.498 3134 V HA 0.466 4.586 4.120 -0.000 0.000 0.279 3134 V C 0.443 176.527 176.094 -0.017 0.000 1.048 3134 V CA -0.218 62.075 62.300 -0.011 0.000 0.967 3134 V CB 0.994 32.814 31.823 -0.004 0.000 0.988 3134 V HN 1.022 nan 8.190 nan 0.000 0.473 3135 T N -0.082 114.466 114.554 -0.011 0.000 2.838 3135 T HA 0.353 4.703 4.350 -0.000 0.000 0.292 3135 T C 0.275 174.977 174.700 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 70.752 68.868 -0.041 0.000 1.259 3135 T HN 0.619 nan 8.240 nan 0.000 0.520 3136 D N -0.133 120.268 120.400 0.002 0.000 2.328 3136 D HA 0.083 4.723 4.640 -0.000 0.000 0.226 3136 D C 0.655 176.970 176.300 0.026 0.000 1.066 3136 D CA -0.192 53.815 54.000 0.011 0.000 0.861 3136 D CB -0.357 40.447 40.800 0.005 0.000 0.912 3136 D HN 0.388 nan 8.370 nan 0.000 0.521 3137 S N 1.819 117.544 115.700 0.041 0.000 2.525 3137 S HA 0.091 4.561 4.470 -0.000 0.000 0.285 3137 S C -1.045 173.609 174.600 0.090 0.000 1.283 3137 S CA -0.923 57.326 58.200 0.082 0.000 1.072 3137 S CB 0.998 64.289 63.200 0.151 0.000 0.867 3137 S HN 0.098 nan 8.310 nan 0.000 0.492 3138 P HA 0.082 nan 4.420 nan 0.000 0.227 3138 P C 0.123 177.441 177.300 0.030 0.000 1.161 3138 P CA 0.269 63.393 63.100 0.040 0.000 0.788 3138 P CB -0.017 31.698 31.700 0.025 0.000 0.822 3139 I N 1.180 121.782 120.570 0.053 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 0.277 61.549 61.300 -0.046 0.000 1.426 3139 I CB 0.233 38.203 38.000 -0.050 0.000 1.381 3139 I HN -0.271 nan 8.210 nan 0.000 0.571 3140 K N 6.668 126.961 120.400 -0.177 0.000 3.000 3140 K HA 0.096 4.416 4.320 -0.000 0.000 0.265 3140 K C -0.730 175.777 176.600 -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 31.916 32.500 -0.090 0.000 1.484 3140 K HN 0.388 nan 8.250 nan 0.000 0.283 3141 Y N 0.445 120.734 120.300 -0.019 0.000 2.281 3141 Y HA 0.316 4.866 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 0.930 39.373 38.460 -0.027 0.000 1.350 3141 Y HN 0.468 nan 8.280 nan 0.000 0.575 3142 G N 0.158 109.052 108.800 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 -1.768 173.155 174.900 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 1.356 177.662 176.300 0.011 0.000 1.196 3143 D CA 0.194 54.201 54.000 0.012 0.000 0.979 3143 D CB 0.738 41.545 40.800 0.012 0.000 1.059 3143 D HN 0.267 nan 8.370 nan 0.000 0.515 3144 V N 3.149 123.068 119.914 0.008 0.000 2.672 3144 V HA -0.023 4.097 4.120 -0.000 0.000 0.242 3144 V C 1.880 177.976 176.094 0.003 0.000 1.059 3144 V CA 0.717 63.019 62.300 0.002 0.000 1.081 3144 V CB -0.095 31.725 31.823 -0.005 0.000 0.752 3144 V HN 0.557 nan 8.190 nan 0.000 0.472 3145 M N -0.422 119.179 119.600 0.001 0.000 2.371 3145 M HA 0.285 4.765 4.480 -0.000 0.000 0.246 3145 M C 0.381 176.694 176.300 0.022 0.000 1.103 3145 M CA 0.109 55.413 55.300 0.007 0.000 1.010 3145 M CB -0.649 31.947 32.600 -0.007 0.000 1.457 3145 M HN 0.380 nan 8.290 nan 0.000 0.486 3146 N N 1.205 119.917 118.700 0.021 0.000 2.705 3146 N HA -0.142 4.598 4.740 -0.000 0.000 0.255 3146 N C 1.006 176.554 175.510 0.064 0.000 1.008 3146 N CA 0.250 53.322 53.050 0.037 0.000 0.742 3146 N CB -1.122 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 -0.220 119.715 119.914 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 0.405 nan 8.190 nan 0.000 0.446 3148 I N 0.406 121.025 120.570 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 61.039 61.300 0.095 0.000 1.083 3148 I CB 1.796 39.832 38.000 0.060 0.000 1.245 3148 I HN 0.257 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 -1.670 174.670 176.300 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 43.090 40.800 0.059 0.000 1.556 3149 D HN 0.698 nan 8.370 nan 0.000 0.462 3150 A N 2.439 125.302 122.820 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 1.412 20.462 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 0.990 178.413 177.300 0.204 0.000 1.204 3151 P CA 0.510 63.702 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 3.486 126.385 122.820 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 54.003 52.037 0.120 0.000 0.636 3152 A CB -0.928 18.115 19.000 0.071 0.000 0.810 3152 A HN 0.741 nan 8.150 nan 0.000 0.448 3153 T N -3.749 110.910 114.554 0.175 0.000 2.883 3153 T HA 0.676 5.026 4.350 -0.000 0.000 0.301 3153 T C -0.865 173.857 174.700 0.037 0.000 1.158 3153 T CA -0.626 61.561 62.100 0.145 0.000 1.007 3153 T CB 1.504 70.412 68.868 0.066 0.000 1.186 3153 T HN 0.174 nan 8.240 nan 0.000 0.499 3154 I N 1.771 122.285 120.570 -0.093 0.000 2.439 3154 I HA 0.566 4.736 4.170 -0.000 0.000 0.283 3154 I C 0.640 176.674 176.117 -0.138 0.000 1.023 3154 I CA -1.126 60.062 61.300 -0.188 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 4.692 127.461 122.820 -0.085 0.000 2.346 3155 A HA 0.697 5.017 4.320 -0.000 0.000 0.252 3155 A C 0.659 178.202 177.584 -0.067 0.000 1.089 3155 A CA -0.244 51.756 52.037 -0.061 0.000 0.797 3155 A CB 0.435 19.414 19.000 -0.036 0.000 1.047 3155 A HN 0.838 nan 8.150 nan 0.000 0.494 3156 A N -0.052 122.744 122.820 -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 0.924 52.952 52.037 -0.016 0.000 0.755 3156 A CB -1.018 18.003 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 0.520 175.387 174.900 -0.054 0.000 0.979 3157 G CA 0.613 45.685 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 0.881 5.201 4.320 -0.000 0.000 0.329 3158 A C 0.175 177.704 177.584 -0.092 0.000 1.122 3158 A CA 0.536 52.531 52.037 -0.070 0.000 0.850 3158 A CB 1.231 20.191 19.000 -0.066 0.000 1.207 3158 A HN 0.702 nan 8.150 nan 0.000 0.495 3159 T N 0.570 115.081 114.554 -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 1.534 70.376 68.868 -0.043 0.000 0.948 3159 T HN 1.054 nan 8.240 nan 0.000 0.438 3160 G N 1.861 110.621 108.800 -0.066 0.000 2.432 3160 G HA2 0.660 4.620 3.960 -0.000 0.000 0.331 3160 G HA3 0.660 4.620 3.960 -0.000 0.000 0.331 3160 G C -0.972 173.944 174.900 0.027 0.000 1.170 3160 G CA -0.607 44.480 45.100 -0.021 0.000 0.943 3160 G HN 0.490 nan 8.290 nan 0.000 0.483 3161 E N 0.664 120.895 120.200 0.052 0.000 2.183 3161 E HA 0.488 4.838 4.350 -0.000 0.000 0.271 3161 E C -0.444 176.214 176.600 0.097 0.000 0.919 3161 E CA -0.422 56.019 56.400 0.067 0.000 0.781 3161 E CB 2.453 32.181 29.700 0.047 0.000 1.140 3161 E HN 0.306 nan 8.360 nan 0.000 0.402 3162 L N 0.867 122.158 121.223 0.114 0.000 2.354 3162 L HA 0.653 4.993 4.340 -0.000 0.000 0.264 3162 L C -0.121 176.807 176.870 0.097 0.000 1.008 3162 L CA -0.887 54.027 54.840 0.123 0.000 0.819 3162 L CB 2.143 44.304 42.059 0.171 0.000 1.339 3162 L HN 0.333 nan 8.230 nan 0.000 0.420 3163 T N 2.153 116.759 114.554 0.087 0.000 2.916 3163 T HA 0.702 5.052 4.350 -0.000 0.000 0.298 3163 T C -0.855 173.886 174.700 0.068 0.000 1.031 3163 T CA -0.437 61.707 62.100 0.074 0.000 0.993 3163 T CB 2.279 71.211 68.868 0.107 0.000 1.045 3163 T HN 0.503 nan 8.240 nan 0.000 0.454 3164 M N 2.934 122.544 119.600 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 -0.712 54.573 55.300 -0.024 0.000 0.892 3164 M CB 1.763 34.325 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 -1.565 174.369 175.900 0.058 0.000 0.976 3165 Y CA -0.330 57.840 58.100 0.116 0.000 1.044 3165 Y CB 2.087 40.670 38.460 0.204 0.000 1.230 3165 Y HN 0.621 nan 8.280 nan 0.000 0.455 3166 Y N 1.426 122.009 120.300 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 1.938 40.457 38.460 0.098 0.000 1.245 3166 Y HN 0.646 nan 8.280 nan 0.000 0.455 3167 W N 5.215 126.604 121.300 0.148 0.000 2.329 3167 W HA 0.657 5.317 4.660 -0.000 0.000 0.312 3167 W C -1.858 174.685 176.519 0.040 0.000 1.054 3167 W CA -1.018 56.402 57.345 0.126 0.000 1.245 3167 W CB 1.408 30.900 29.460 0.052 0.000 1.255 3167 W HN 0.306 nan 8.180 nan 0.000 0.436 3168 V N 9.459 129.094 119.914 -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 -1.550 60.476 62.300 -0.457 0.000 0.866 3168 V CB 0.875 32.561 31.823 -0.230 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 0.048 177.219 177.300 -0.215 0.000 1.249 3169 P CA -0.298 62.595 63.100 -0.345 0.000 0.806 3169 P CB 2.505 34.326 31.700 0.202 0.000 0.984 3170 L N 1.258 122.407 121.223 -0.124 0.000 2.675 3170 L HA 0.327 4.667 4.340 -0.000 0.000 0.178 3170 L C 1.363 178.361 176.870 0.213 0.000 1.135 3170 L CA 0.097 54.891 54.840 -0.076 0.000 0.855 3170 L CB -0.783 41.106 42.059 -0.284 0.000 1.235 3170 L HN 0.323 nan 8.230 nan 0.000 0.499 3171 A N -0.919 121.998 122.820 0.163 0.000 2.407 3171 A HA -0.006 4.314 4.320 -0.000 0.000 0.248 3171 A C 0.512 178.264 177.584 0.280 0.000 1.082 3171 A CA 0.015 52.173 52.037 0.201 0.000 0.785 3171 A CB -0.002 19.077 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 1.715 59.654 58.100 -0.268 0.000 1.164 3172 Y CB 0.011 38.332 38.460 -0.232 0.000 0.982 3172 Y HN 0.884 nan 8.280 nan 0.000 0.515 3173 S N -2.432 113.247 115.700 -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 -0.625 57.509 58.200 -0.111 0.000 0.856 3173 S CB 1.064 64.174 63.200 -0.149 0.000 1.212 3173 S HN 0.076 nan 8.310 nan 0.000 0.516 3174 E N 1.078 121.232 120.200 -0.075 0.000 2.204 3174 E HA -0.019 4.331 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 1.909 58.267 56.400 -0.071 0.000 0.824 3174 E CB -0.370 29.259 29.700 -0.118 0.000 0.756 3174 E HN 0.848 nan 8.360 nan 0.000 0.477 3175 T N -2.438 112.103 114.554 -0.020 0.000 2.971 3175 T HA 0.052 4.402 4.350 -0.000 0.000 0.252 3175 T C 0.470 175.182 174.700 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 1.219 121.654 120.400 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 0.952 41.862 40.800 0.185 0.000 1.062 3176 D HN 0.210 nan 8.370 nan 0.000 0.524 3177 L N 2.591 123.827 121.223 0.021 0.000 2.645 3177 L HA 0.084 4.424 4.340 -0.000 0.000 0.235 3177 L C 0.755 177.623 176.870 -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 0.760 115.277 114.554 -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 -0.041 0.000 0.998 3178 T CA 1.011 62.993 62.100 -0.195 0.000 1.162 3178 T CB 0.910 69.438 68.868 -0.566 0.000 0.947 3178 T HN 0.623 nan 8.240 nan 0.000 0.536 3179 G N 2.083 110.886 108.800 0.006 0.000 2.194 3179 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.236 3179 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.236 3179 G C 0.372 175.378 174.900 0.177 0.000 0.987 3179 G CA -0.042 45.164 45.100 0.177 0.000 0.635 3179 G HN 1.149 nan 8.290 nan 0.000 0.520 3180 A N -0.494 122.386 122.820 0.100 0.000 2.429 3180 A HA 0.646 4.966 4.320 -0.000 0.000 0.242 3180 A C 0.407 178.035 177.584 0.073 0.000 1.088 3180 A CA 0.809 52.882 52.037 0.060 0.000 0.784 3180 A CB 0.836 19.858 19.000 0.037 0.000 1.038 3180 A HN 1.213 nan 8.150 nan 0.000 0.501 3181 V N 1.629 121.564 119.914 0.036 0.000 2.487 3181 V HA 0.322 4.442 4.120 -0.000 0.000 0.298 3181 V C -0.566 175.561 176.094 0.056 0.000 1.028 3181 V CA -0.507 61.837 62.300 0.072 0.000 0.860 3181 V CB 1.405 33.273 31.823 0.075 0.000 0.991 3181 V HN 0.775 nan 8.190 nan 0.000 0.427 3182 L N 5.317 126.580 121.223 0.068 0.000 2.283 3182 L HA 0.715 5.055 4.340 -0.000 0.000 0.287 3182 L C 0.485 177.391 176.870 0.059 0.000 1.073 3182 L CA 0.156 55.027 54.840 0.051 0.000 0.822 3182 L CB 0.767 42.862 42.059 0.059 0.000 1.186 3182 L HN 0.746 nan 8.230 nan 0.000 0.436 3183 A N 4.310 127.154 122.820 0.039 0.000 2.938 3183 A HA 0.494 4.814 4.320 -0.000 0.000 0.344 3183 A C -0.064 177.533 177.584 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 -0.084 118.644 118.700 0.047 0.000 2.299 3184 N HA 0.183 4.923 4.740 -0.000 0.000 0.246 3184 N C -0.992 174.555 175.510 0.061 0.000 1.254 3184 N CA -0.170 52.916 53.050 0.060 0.000 0.879 3184 N CB 0.585 39.142 38.487 0.116 0.000 1.214 3184 N HN 0.062 nan 8.380 nan 0.000 0.510 3185 V N 1.763 121.704 119.914 0.046 0.000 2.277 3185 V HA 0.424 4.544 4.120 -0.000 0.000 0.269 3185 V C -2.163 173.946 176.094 0.025 0.000 1.036 3185 V CA -1.612 60.711 62.300 0.037 0.000 0.821 3185 V CB 0.812 32.657 31.823 0.037 0.000 1.052 3185 V HN 0.083 nan 8.190 nan 0.000 0.462 3186 P HA 0.326 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 1.298 64.406 63.100 0.014 0.000 0.768 3186 P CB 0.515 32.223 31.700 0.014 0.000 0.838 3187 Q N -0.417 119.385 119.800 0.003 0.000 2.360 3187 Q HA -0.209 4.131 4.340 -0.000 0.000 0.192 3187 Q C 0.452 176.449 176.000 -0.006 0.000 0.615 3187 Q CA 1.425 57.227 55.803 -0.002 0.000 1.355 3187 Q CB -2.737 26.000 28.738 -0.001 0.000 1.324 3187 Q HN 0.513 nan 8.270 nan 0.000 0.885 3188 S N 0.362 116.061 115.700 -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 0.393 63.596 63.200 0.006 0.000 1.029 3188 S HN 0.830 nan 8.310 nan 0.000 0.481 3189 K N 3.347 123.733 120.400 -0.023 0.000 2.087 3189 K HA 0.515 4.835 4.320 -0.000 0.000 0.255 3189 K C -0.215 176.355 176.600 -0.049 0.000 0.988 3189 K CA -0.854 55.417 56.287 -0.026 0.000 0.915 3189 K CB 0.913 33.393 32.500 -0.033 0.000 1.043 3189 K HN 0.464 nan 8.250 nan 0.000 0.457 3190 Q N 0.674 120.449 119.800 -0.042 0.000 2.185 3190 Q HA 0.394 4.734 4.340 -0.000 0.000 0.225 3190 Q C -0.767 175.140 176.000 -0.155 0.000 0.983 3190 Q CA -0.824 54.913 55.803 -0.110 0.000 0.950 3190 Q CB 1.332 30.078 28.738 0.013 0.000 1.176 3190 Q HN 0.447 nan 8.270 nan 0.000 0.510 3191 R N 0.639 120.977 120.500 -0.270 0.000 2.533 3191 R HA 0.419 4.759 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 -0.730 55.255 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 3.359 124.466 121.223 -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 0.975 42.771 42.059 -0.438 0.000 1.224 3192 L HN 0.419 nan 8.230 nan 0.000 0.429 3193 K N 6.146 126.466 120.400 -0.132 0.000 2.227 3193 K HA 0.552 4.872 4.320 -0.000 0.000 0.280 3193 K C -1.173 175.296 176.600 -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 3.360 124.428 121.223 -0.258 0.000 2.325 3194 L HA 0.324 4.664 4.340 -0.000 0.000 0.281 3194 L C -0.268 176.362 176.870 -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 43.175 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 -0.423 0.000 2.114 3195 E HA 0.392 4.742 4.350 -0.000 0.000 0.266 3195 E C -1.093 175.338 176.600 -0.282 0.000 0.896 3195 E CA -0.452 55.813 56.400 -0.224 0.000 0.750 3195 E CB 1.447 31.063 29.700 -0.140 0.000 1.121 3195 E HN 0.261 nan 8.360 nan 0.000 0.413 3196 F N 1.290 121.262 119.950 0.037 0.000 2.370 3196 F HA 0.412 4.939 4.527 0.000 0.000 0.319 3196 F C 1.101 176.925 175.800 0.040 0.000 1.129 3196 F CA -0.740 57.297 58.000 0.061 0.000 1.109 3196 F CB 0.679 39.794 39.000 0.193 0.000 1.262 3196 F HN 0.400 nan 8.300 nan 0.000 0.534 3197 A N 1.617 124.581 122.820 0.240 0.000 2.406 3197 A HA 0.445 4.765 4.320 -0.000 0.000 0.243 3197 A C -0.307 177.328 177.584 0.085 0.000 1.082 3197 A CA -0.273 51.866 52.037 0.170 0.000 0.786 3197 A CB -0.065 19.091 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 -0.069 175.695 175.510 0.425 0.000 1.515 3198 N CA -0.825 52.377 53.050 0.253 0.000 0.807 3198 N CB 0.106 38.706 38.487 0.189 0.000 1.672 3198 N HN 0.288 nan 8.380 nan 0.000 0.592 3199 N N -0.188 118.785 118.700 0.455 0.000 2.272 3199 N HA -0.092 4.648 4.740 -0.000 0.000 0.185 3199 N C 0.451 176.146 175.510 0.309 0.000 1.014 3199 N CA 0.848 54.178 53.050 0.468 0.000 0.870 3199 N CB -0.495 38.249 38.487 0.428 0.000 0.975 3199 N HN 0.482 nan 8.380 nan 0.000 0.433 3200 N N -0.146 118.681 118.700 0.212 0.000 2.171 3200 N HA -0.072 4.668 4.740 -0.000 0.000 0.184 3200 N C 1.888 177.462 175.510 0.107 0.000 1.021 3200 N CA 1.611 54.753 53.050 0.154 0.000 0.854 3200 N CB -0.569 37.993 38.487 0.125 0.000 0.994 3200 N HN 0.459 nan 8.380 nan 0.000 0.426 3201 T N -1.973 112.634 114.554 0.089 0.000 3.009 3201 T HA 0.254 4.604 4.350 -0.000 0.000 0.258 3201 T C 1.906 176.587 174.700 -0.032 0.000 1.063 3201 T CA 0.735 62.869 62.100 0.055 0.000 1.139 3201 T CB -0.093 68.828 68.868 0.088 0.000 0.890 3201 T HN 0.101 nan 8.240 nan 0.000 0.471 3202 A N 0.629 123.337 122.820 -0.187 0.000 2.067 3202 A HA 0.415 4.735 4.320 -0.000 0.000 0.217 3202 A C 0.423 177.563 177.584 -0.740 0.000 1.156 3202 A CA 0.054 51.764 52.037 -0.544 0.000 0.683 3202 A CB -0.479 17.986 19.000 -0.891 0.000 0.808 3202 A HN 0.589 nan 8.150 nan 0.000 0.455 3203 F N -0.502 119.500 119.950 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 -0.758 57.278 58.000 0.060 0.000 0.948 3203 F CB 1.743 40.758 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 -0.196 177.444 177.584 0.094 0.000 1.170 3204 A CA -0.605 51.497 52.037 0.109 0.000 0.810 3204 A CB 0.710 19.742 19.000 0.054 0.000 1.198 3204 A HN 0.907 nan 8.150 nan 0.000 0.484 3205 A N 1.655 124.518 122.820 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 -0.287 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 1.033 120.953 119.914 0.010 0.000 2.694 3206 V HA 0.375 4.495 4.120 -0.000 0.000 0.306 3206 V C 1.691 177.790 176.094 0.007 0.000 1.054 3206 V CA 1.832 64.135 62.300 0.004 0.000 1.161 3206 V CB 0.057 31.876 31.823 -0.007 0.000 0.916 3206 V HN 1.959 nan 8.190 nan 0.000 0.490 3207 G N 3.303 112.107 108.800 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 0.433 175.338 174.900 0.008 0.000 0.988 3207 G CA 0.308 45.410 45.100 0.003 0.000 0.625 3207 G HN 1.505 nan 8.290 nan 0.000 0.527 3208 A N -0.159 122.672 122.820 0.017 0.000 2.271 3208 A HA 0.645 4.965 4.320 -0.000 0.000 0.288 3208 A C 0.517 178.117 177.584 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 0.539 nan 8.150 nan 0.000 0.493 3209 N N 1.178 119.898 118.700 0.033 0.000 2.431 3209 N HA 0.139 4.879 4.740 -0.000 0.000 0.265 3209 N C -1.695 173.837 175.510 0.036 0.000 1.184 3209 N CA -1.439 51.645 53.050 0.057 0.000 0.943 3209 N CB 0.986 39.508 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 -0.114 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 1.426 122.496 121.223 -0.255 0.000 2.010 3211 L HA -0.193 4.147 4.340 -0.000 0.000 0.219 3211 L C 1.762 178.444 176.870 -0.314 0.000 1.077 3211 L CA 2.206 56.788 54.840 -0.430 0.000 0.773 3211 L CB -0.884 41.144 42.059 -0.052 0.000 0.892 3211 L HN -0.118 nan 8.230 nan 0.000 0.436 3212 E N -0.201 119.961 120.200 -0.063 0.000 2.474 3212 E HA 0.312 4.662 4.350 -0.000 0.000 0.195 3212 E C 0.644 177.271 176.600 0.044 0.000 1.039 3212 E CA 0.585 57.034 56.400 0.081 0.000 0.881 3212 E CB -0.007 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 0.687 123.482 122.820 -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 -0.394 51.610 52.037 -0.055 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 -1.336 119.176 120.570 -0.096 0.000 2.810 3214 I HA 0.116 4.286 4.170 -0.000 0.000 0.262 3214 I C -0.378 175.541 176.117 -0.329 0.000 1.131 3214 I CA 0.670 61.877 61.300 -0.156 0.000 1.453 3214 I CB 0.007 37.964 38.000 -0.072 0.000 1.161 3214 I HN 0.593 nan 8.210 nan 0.000 0.444 3215 Y N 0.357 120.678 120.300 0.035 0.000 2.512 3215 Y HA 0.553 5.103 4.550 0.000 0.000 0.348 3215 Y C -0.277 175.685 175.900 0.103 0.000 0.990 3215 Y CA -0.735 57.426 58.100 0.103 0.000 1.033 3215 Y CB 1.789 40.373 38.460 0.206 0.000 1.259 3215 Y HN -0.068 nan 8.280 nan 0.000 0.461 3216 Q N 1.562 121.485 119.800 0.205 0.000 2.359 3216 Q HA 0.769 5.109 4.340 -0.000 0.000 0.274 3216 Q C -1.018 175.036 176.000 0.091 0.000 1.074 3216 Q CA -0.656 55.218 55.803 0.119 0.000 0.810 3216 Q CB 2.586 31.349 28.738 0.042 0.000 1.342 3216 Q HN 0.964 nan 8.270 nan 0.000 0.427 3217 G N 0.447 109.276 108.800 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 -0.365 174.500 174.900 -0.059 0.000 1.385 3217 G CA -0.140 44.957 45.100 -0.004 0.000 0.856 3217 G HN 0.683 nan 8.290 nan 0.000 0.584 3218 A N -0.844 121.910 122.820 -0.111 0.000 2.178 3218 A HA 0.351 4.671 4.320 -0.000 0.000 0.218 3218 A C 2.159 179.504 177.584 -0.399 0.000 1.157 3218 A CA 2.535 54.459 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 -1.733 106.843 108.800 -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 1.319 176.118 174.900 -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 1.597 124.354 122.820 -0.104 0.000 1.903 3220 A HA 0.040 4.360 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 2.412 54.430 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 -0.822 122.015 122.820 0.029 0.000 2.032 3221 A HA -0.174 4.146 4.320 -0.000 0.000 0.221 3221 A C 1.416 179.007 177.584 0.012 0.000 1.165 3221 A CA 1.818 53.885 52.037 0.050 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 -1.208 119.190 120.400 -0.003 0.000 2.388 3222 D HA 0.182 4.822 4.640 -0.000 0.000 0.221 3222 D C -0.421 175.764 176.300 -0.192 0.000 1.133 3222 D CA -0.019 53.949 54.000 -0.055 0.000 0.831 3222 D CB -0.092 40.706 40.800 -0.003 0.000 0.962 3222 D HN 0.284 nan 8.370 nan 0.000 0.502 3223 C N 1.159 120.225 119.300 -0.390 0.000 2.401 3223 C HA 0.459 4.919 4.460 -0.000 0.000 0.365 3223 C C 0.599 175.160 174.990 -0.714 0.000 1.250 3223 C CA -0.471 58.068 59.018 -0.799 0.000 2.131 3223 C CB 0.792 27.557 27.740 -1.625 0.000 2.445 3223 C HN 0.205 nan 8.230 nan 0.000 0.550 3224 E N 0.659 120.560 120.200 -0.497 0.000 2.343 3224 E HA 0.362 4.712 4.350 -0.000 0.000 0.278 3224 E C -1.377 175.242 176.600 0.032 0.000 0.910 3224 E CA -0.484 55.870 56.400 -0.077 0.000 0.757 3224 E CB 1.563 31.265 29.700 0.003 0.000 1.218 3224 E HN 0.486 nan 8.360 nan 0.000 0.435 3225 F N 1.763 121.862 119.950 0.249 0.000 2.459 3225 F HA 0.055 4.582 4.527 -0.000 0.000 0.346 3225 F C 1.810 177.648 175.800 0.063 0.000 1.128 3225 F CA 0.354 58.457 58.000 0.171 0.000 1.268 3225 F CB 0.770 39.854 39.000 0.140 0.000 1.161 3225 F HN 0.496 nan 8.300 nan 0.000 0.583 3226 E N 1.225 121.559 120.200 0.224 0.000 2.201 3226 E HA 0.041 4.391 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 0.580 57.041 56.400 0.102 0.000 0.858 3226 E CB 0.355 30.085 29.700 0.050 0.000 0.816 3226 E HN 0.803 nan 8.360 nan 0.000 0.475 3227 E N -0.504 119.722 120.200 0.043 0.000 2.403 3227 E HA 0.507 4.857 4.350 -0.000 0.000 0.280 3227 E C -1.136 175.304 176.600 -0.267 0.000 1.101 3227 E CA -0.524 55.786 56.400 -0.150 0.000 0.856 3227 E CB 0.966 30.578 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 -0.685 0.000 2.686 3228 I HA 0.547 4.717 4.170 -0.000 0.000 0.295 3228 I C -0.981 174.602 176.117 -0.890 0.000 1.114 3228 I CA -0.938 59.885 61.300 -0.795 0.000 1.038 3228 I CB 2.288 39.582 38.000 -1.177 0.000 1.238 3228 I HN 0.562 nan 8.210 nan 0.000 0.420 3229 S N 4.068 119.477 115.700 -0.484 0.000 2.549 3229 S HA 0.776 5.246 4.470 -0.000 0.000 0.280 3229 S C -1.579 172.923 174.600 -0.164 0.000 1.109 3229 S CA -0.433 57.555 58.200 -0.353 0.000 0.905 3229 S CB 1.389 64.448 63.200 -0.234 0.000 1.081 3229 S HN 0.472 nan 8.310 nan 0.000 0.477 3230 Y N -0.036 120.177 120.300 -0.145 0.000 2.553 3230 Y HA 0.835 5.385 4.550 -0.000 0.000 0.347 3230 Y C -0.870 175.007 175.900 -0.039 0.000 1.019 3230 Y CA -0.884 57.196 58.100 -0.034 0.000 1.032 3230 Y CB 1.410 39.934 38.460 0.105 0.000 1.284 3230 Y HN 0.421 nan 8.280 nan 0.000 0.466 3231 T N 2.946 117.635 114.554 0.225 0.000 3.011 3231 T HA 0.503 4.853 4.350 -0.000 0.000 0.303 3231 T C -1.436 173.360 174.700 0.159 0.000 0.997 3231 T CA -0.638 61.508 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 4.226 124.212 119.914 0.120 0.000 2.394 3232 V HA 0.474 4.594 4.120 -0.000 0.000 0.282 3232 V C -1.077 175.048 176.094 0.051 0.000 1.031 3232 V CA -0.728 61.667 62.300 0.159 0.000 0.881 3232 V CB 0.747 32.655 31.823 0.141 0.000 0.982 3232 V HN 0.810 nan 8.190 nan 0.000 0.451 3233 Y N 3.027 123.508 120.300 0.302 0.000 2.352 3233 Y HA 0.499 5.049 4.550 -0.000 0.000 0.339 3233 Y C 0.299 176.396 175.900 0.328 0.000 0.992 3233 Y CA -0.344 57.929 58.100 0.289 0.000 1.100 3233 Y CB 1.721 40.344 38.460 0.271 0.000 1.192 3233 Y HN 0.553 nan 8.280 nan 0.000 0.458 3234 Q N 2.117 122.180 119.800 0.438 0.000 2.290 3234 Q HA 0.434 4.774 4.340 -0.000 0.000 0.259 3234 Q C -0.931 175.217 176.000 0.248 0.000 0.941 3234 Q CA -0.559 55.413 55.803 0.281 0.000 0.912 3234 Q CB 1.344 30.289 28.738 0.344 0.000 1.244 3234 Q HN 0.656 nan 8.270 nan 0.000 0.441 3235 S N 4.250 119.992 115.700 0.071 0.000 2.429 3235 S HA 0.619 5.089 4.470 -0.000 0.000 0.302 3235 S C -1.378 173.280 174.600 0.096 0.000 1.115 3235 S CA -0.359 57.906 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 2.130 122.417 120.300 -0.022 0.000 2.744 3236 Y HA 0.723 5.273 4.550 -0.000 0.000 0.330 3236 Y C -1.846 174.040 175.900 -0.024 0.000 1.263 3236 Y CA -1.568 56.508 58.100 -0.040 0.000 1.065 3236 Y CB 0.871 39.308 38.460 -0.038 0.000 1.306 3236 Y HN 0.394 nan 8.280 nan 0.000 0.459 3237 L N 2.313 123.633 121.223 0.162 0.000 2.313 3237 L HA 0.481 4.821 4.340 -0.000 0.000 0.283 3237 L C -1.013 175.966 176.870 0.183 0.000 1.013 3237 L CA -0.571 54.303 54.840 0.057 0.000 0.816 3237 L CB 1.482 43.550 42.059 0.013 0.000 1.236 3237 L HN 0.667 nan 8.230 nan 0.000 0.419 3238 D N 1.341 121.829 120.400 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 -0.053 54.059 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 0.008 119.854 119.800 0.077 0.000 2.460 3239 Q HA -0.184 4.156 4.340 -0.000 0.000 0.311 3239 Q C -0.511 175.495 176.000 0.010 0.000 1.396 3239 Q CA 0.117 55.952 55.803 0.054 0.000 0.838 3239 Q CB -1.368 27.413 28.738 0.071 0.000 1.140 3239 Q HN 0.409 nan 8.270 nan 0.000 0.415 3240 L N 2.137 123.308 121.223 -0.087 0.000 2.499 3240 L HA 0.169 4.509 4.340 -0.000 0.000 0.273 3240 L C -1.146 175.688 176.870 -0.059 0.000 1.195 3240 L CA -1.357 53.373 54.840 -0.185 0.000 0.882 3240 L CB -0.289 41.430 42.059 -0.565 0.000 1.133 3240 L HN 0.079 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 32.905 31.700 0.048 0.000 0.842 3242 V N 2.898 122.917 119.914 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 -0.034 62.378 62.300 0.187 0.000 0.889 3242 V CB 1.597 33.515 31.823 0.158 0.000 0.988 3242 V HN 0.909 nan 8.190 nan 0.000 0.440 3243 G N 2.143 110.989 108.800 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 -0.264 174.651 174.900 0.026 0.000 1.172 3243 G CA 0.236 45.364 45.100 0.046 0.000 0.844 3243 G HN 0.789 nan 8.290 nan 0.000 0.619 3244 Q N -1.366 118.446 119.800 0.020 0.000 2.844 3244 Q HA 0.529 4.869 4.340 -0.000 0.000 0.235 3244 Q C 0.363 176.367 176.000 0.007 0.000 1.336 3244 Q CA 0.755 56.563 55.803 0.010 0.000 1.026 3244 Q CB -1.221 27.523 28.738 0.009 0.000 1.513 3244 Q HN 2.266 nan 8.270 nan 0.000 0.577 3245 N N -1.251 117.449 118.700 -0.000 0.000 3.400 3245 N HA 0.440 5.180 4.740 -0.000 0.000 0.134 3245 N C 1.236 176.736 175.510 -0.018 0.000 1.073 3245 N CA 0.860 53.907 53.050 -0.005 0.000 2.788 3245 N CB -1.296 37.196 38.487 0.007 0.000 1.172 3245 N HN 2.131 nan 8.380 nan 0.000 0.820 3246 G N -0.539 108.241 108.800 -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 -0.225 174.681 174.900 0.010 0.000 1.250 3246 G CA -0.231 44.811 45.100 -0.097 0.000 0.926 3246 G HN 1.253 nan 8.290 nan 0.000 0.581 3247 Y N 0.349 120.659 120.300 0.017 0.000 2.712 3247 Y HA 0.302 4.852 4.550 -0.000 0.000 0.333 3247 Y C 1.516 177.427 175.900 0.017 0.000 1.225 3247 Y CA -0.204 57.908 58.100 0.020 0.000 1.499 3247 Y CB 0.311 38.785 38.460 0.023 0.000 1.288 3247 Y HN 0.333 nan 8.280 nan 0.000 0.575 3248 I N 6.140 126.828 120.570 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 0.253 61.614 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 8.692 129.957 121.223 0.069 0.000 2.408 3249 L HA 0.506 4.846 4.340 -0.000 0.000 0.268 3249 L C -2.390 174.496 176.870 0.026 0.000 0.986 3249 L CA -1.902 52.965 54.840 0.045 0.000 0.820 3249 L CB 2.350 44.449 42.059 0.067 0.000 1.303 3249 L HN 0.340 nan 8.230 nan 0.000 0.411 3250 P HA 0.151 nan 4.420 nan 0.000 0.273 3250 P C 0.702 178.000 177.300 -0.004 0.000 1.428 3250 P CA -0.210 62.888 63.100 -0.003 0.000 0.995 3250 P CB 0.671 32.362 31.700 -0.015 0.000 1.286 3251 L N 2.772 123.995 121.223 0.001 0.000 2.079 3251 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 3251 L C 2.421 179.283 176.870 -0.014 0.000 1.081 3251 L CA 1.422 56.264 54.840 0.002 0.000 0.752 3251 L CB -0.553 41.510 42.059 0.007 0.000 0.896 3251 L HN 0.270 nan 8.230 nan 0.000 0.433 3252 I N -0.472 120.079 120.570 -0.032 0.000 2.233 3252 I HA -0.243 3.927 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 1.027 62.293 61.300 -0.057 0.000 1.380 3252 I CB -0.432 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 1.310 121.662 120.400 -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 40.368 40.800 -0.060 0.000 0.956 3253 D HN 0.271 nan 8.370 nan 0.000 0.448 3254 L N 0.308 121.524 121.223 -0.012 0.000 2.551 3254 L HA -0.013 4.327 4.340 -0.000 0.000 0.228 3254 L C 1.526 178.417 176.870 0.034 0.000 1.153 3254 L CA 0.712 55.567 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 -3.261 112.442 115.700 0.005 0.000 2.650 3255 S HA 0.179 4.649 4.470 -0.000 0.000 0.240 3255 S C 0.505 175.094 174.600 -0.017 0.000 1.007 3255 S CA -0.558 57.647 58.200 0.007 0.000 0.984 3255 S CB 0.179 63.382 63.200 0.004 0.000 0.910 3255 S HN 0.086 nan 8.310 nan 0.000 0.509 3256 T N 2.822 117.353 114.554 -0.040 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 -0.074 0.000 1.009 3256 T CB 1.325 70.077 68.868 -0.195 0.000 0.983 3256 T HN 0.254 nan 8.240 nan 0.000 0.455 3257 L N 3.031 124.232 121.223 -0.037 0.000 2.295 3257 L HA 0.489 4.829 4.340 -0.000 0.000 0.285 3257 L C -0.998 175.942 176.870 0.115 0.000 1.035 3257 L CA -1.123 53.672 54.840 -0.075 0.000 0.806 3257 L CB 0.826 42.731 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 -0.877 174.967 175.900 -0.092 0.000 0.960 3258 Y CA -1.156 57.040 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 5.064 123.329 118.700 -0.725 0.000 2.312 3259 N HA 0.552 5.292 4.740 -0.000 0.000 0.296 3259 N C -1.893 173.109 175.510 -0.847 0.000 1.193 3259 N CA -0.627 51.926 53.050 -0.829 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 0.729 121.656 121.223 -0.494 0.000 2.346 3260 L HA 0.521 4.861 4.340 -0.000 0.000 0.276 3260 L C 0.025 176.881 176.870 -0.024 0.000 1.006 3260 L CA -0.212 54.508 54.840 -0.200 0.000 0.817 3260 L CB 1.446 43.351 42.059 -0.256 0.000 1.272 3260 L HN 0.478 nan 8.230 nan 0.000 0.421 3261 E N 2.074 122.398 120.200 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 2.971 32.853 29.700 0.303 0.000 1.277 3261 E HN 0.644 nan 8.360 nan 0.000 0.455 3262 N N -0.130 118.596 118.700 0.043 0.000 2.455 3262 N HA 0.533 5.273 4.740 -0.000 0.000 0.278 3262 N C -1.267 174.273 175.510 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 40.434 38.487 -0.278 0.000 1.520 3262 N HN 0.490 nan 8.380 nan 0.000 0.486 3263 S N -1.249 114.490 115.700 0.064 0.000 2.656 3263 S HA 0.862 5.332 4.470 -0.000 0.000 0.273 3263 S C -1.493 173.177 174.600 0.117 0.000 1.168 3263 S CA -0.961 57.305 58.200 0.110 0.000 0.817 3263 S CB 1.240 64.530 63.200 0.150 0.000 1.146 3263 S HN 1.034 nan 8.310 nan 0.000 0.475 3264 A N 0.951 123.845 122.820 0.124 0.000 2.355 3264 A HA 0.809 5.129 4.320 -0.000 0.000 0.317 3264 A C -1.023 176.640 177.584 0.132 0.000 1.094 3264 A CA -0.677 51.440 52.037 0.132 0.000 0.764 3264 A CB 1.251 20.330 19.000 0.132 0.000 1.230 3264 A HN 0.614 nan 8.150 nan 0.000 0.448 3265 Q N 0.389 120.285 119.800 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 0.248 0.000 1.045 3265 Q CA -0.437 55.506 55.803 0.233 0.000 0.811 3265 Q CB 2.217 31.144 28.738 0.315 0.000 1.305 3265 Q HN 0.977 nan 8.270 nan 0.000 0.447 3266 A N -0.281 122.695 122.820 0.259 0.000 2.435 3266 A HA 0.911 5.231 4.320 -0.000 0.000 0.296 3266 A C 0.307 178.035 177.584 0.241 0.000 1.147 3266 A CA -0.168 51.942 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 -0.857 107.977 108.800 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 -0.460 174.484 174.900 0.074 0.000 1.032 3267 G CA -0.127 45.078 45.100 0.175 0.000 0.697 3267 G HN 0.741 nan 8.290 nan 0.000 0.495 3268 L N 1.980 123.006 121.223 -0.328 0.000 2.349 3268 L HA 0.734 5.074 4.340 -0.000 0.000 0.275 3268 L C 0.899 177.687 176.870 -0.137 0.000 1.115 3268 L CA 0.462 55.068 54.840 -0.390 0.000 0.820 3268 L CB 1.617 43.290 42.059 -0.644 0.000 1.135 3268 L HN 0.403 nan 8.230 nan 0.000 0.445 3269 T N 0.386 114.893 114.554 -0.078 0.000 2.933 3269 T HA 0.537 4.887 4.350 -0.000 0.000 0.305 3269 T C -2.830 171.839 174.700 -0.052 0.000 1.092 3269 T CA -2.338 59.736 62.100 -0.043 0.000 1.008 3269 T CB 1.803 70.665 68.868 -0.010 0.000 1.102 3269 T HN 0.140 nan 8.240 nan 0.000 0.469 3270 P HA 0.127 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 0.735 63.808 63.100 -0.046 0.000 0.760 3270 P CB -0.169 31.513 31.700 -0.029 0.000 0.783 3271 N N -1.127 117.528 118.700 -0.076 0.000 2.778 3271 N HA -0.154 4.586 4.740 -0.000 0.000 0.249 3271 N C -0.685 174.787 175.510 -0.063 0.000 1.069 3271 N CA 0.296 53.302 53.050 -0.074 0.000 0.831 3271 N CB -1.405 37.061 38.487 -0.035 0.000 1.142 3271 N HN 0.130 nan 8.380 nan 0.000 0.573 3272 V N 0.637 120.511 119.914 -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 61.568 62.300 -0.034 0.000 0.889 3272 V CB 1.795 33.616 31.823 -0.003 0.000 0.988 3272 V HN 0.016 nan 8.190 nan 0.000 0.440 3273 D N 3.245 123.631 120.400 -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 0.027 0.000 1.224 3273 D CA 0.407 54.393 54.000 -0.023 0.000 0.894 3273 D CB 0.420 41.230 40.800 0.017 0.000 1.127 3273 D HN 0.350 nan 8.370 nan 0.000 0.487 3274 F N 3.667 123.527 119.950 -0.151 0.000 2.391 3274 F HA 0.305 4.832 4.527 0.000 0.000 0.359 3274 F C -0.623 175.120 175.800 -0.096 0.000 1.122 3274 F CA -0.743 57.181 58.000 -0.126 0.000 1.120 3274 F CB 0.724 39.620 39.000 -0.174 0.000 1.142 3274 F HN -0.004 nan 8.300 nan 0.000 0.483 3275 V N 7.066 126.723 119.914 -0.429 0.000 2.384 3275 V HA 0.364 4.484 4.120 -0.000 0.000 0.287 3275 V C -0.581 175.271 176.094 -0.404 0.000 1.020 3275 V CA -0.876 61.243 62.300 -0.301 0.000 0.850 3275 V CB 1.453 33.170 31.823 -0.178 0.000 0.987 3275 V HN 0.483 nan 8.190 nan 0.000 0.436 3276 V N 5.302 125.076 119.914 -0.233 0.000 2.311 3276 V HA 0.308 4.428 4.120 -0.000 0.000 0.275 3276 V C 0.195 176.170 176.094 -0.197 0.000 1.022 3276 V CA -0.699 61.477 62.300 -0.208 0.000 0.830 3276 V CB 1.102 32.874 31.823 -0.086 0.000 1.012 3276 V HN 0.805 nan 8.190 nan 0.000 0.452 3277 Q N 2.866 122.559 119.800 -0.178 0.000 2.364 3277 Q HA 0.211 4.551 4.340 -0.000 0.000 0.267 3277 Q C -0.681 175.180 176.000 -0.232 0.000 0.999 3277 Q CA 0.114 55.835 55.803 -0.136 0.000 0.886 3277 Q CB 0.873 29.558 28.738 -0.089 0.000 1.243 3277 Q HN 0.623 nan 8.270 nan 0.000 0.415 3278 Y N -0.030 120.165 120.300 -0.174 0.000 2.402 3278 Y HA 0.130 4.680 4.550 -0.000 0.000 0.333 3278 Y C 0.937 176.707 175.900 -0.217 0.000 1.076 3278 Y CA -0.233 57.636 58.100 -0.385 0.000 1.299 3278 Y CB 0.779 38.933 38.460 -0.509 0.000 1.197 3278 Y HN 0.673 nan 8.280 nan 0.000 0.517 3279 A N 3.829 126.601 122.820 -0.079 0.000 2.863 3279 A HA 0.226 4.546 4.320 -0.000 0.000 0.246 3279 A C 1.131 178.620 177.584 -0.158 0.000 1.772 3279 A CA 0.548 52.520 52.037 -0.107 0.000 1.456 3279 A CB -2.170 16.718 19.000 -0.186 0.000 0.930 3279 A HN 1.123 nan 8.150 nan 0.000 0.630 3280 N N -1.014 117.672 118.700 -0.024 0.000 3.699 3280 N HA -0.058 4.682 4.740 -0.000 0.000 0.355 3280 N C 0.850 176.270 175.510 -0.150 0.000 1.094 3280 N CA 1.118 54.136 53.050 -0.053 0.000 2.627 3280 N CB -0.567 37.861 38.487 -0.098 0.000 0.583 3280 N HN 1.383 nan 8.380 nan 0.000 0.831 3281 L N -2.825 118.363 121.223 -0.058 0.000 3.898 3281 L HA -0.210 4.130 4.340 -0.000 0.000 0.382 3281 L C 0.875 177.944 176.870 0.332 0.000 0.711 3281 L CA 2.131 57.021 54.840 0.083 0.000 2.828 3281 L CB -2.115 39.931 42.059 -0.022 0.000 0.852 3281 L HN 0.915 nan 8.230 nan 0.000 0.694 3282 Y N 0.103 120.408 120.300 0.009 0.000 2.326 3282 Y HA 0.358 4.908 4.550 -0.000 0.000 0.333 3282 Y C 1.020 176.896 175.900 -0.040 0.000 1.240 3282 Y CA -0.802 57.151 58.100 -0.246 0.000 1.365 3282 Y CB 0.419 38.235 38.460 -1.073 0.000 1.289 3282 Y HN -0.029 nan 8.280 nan 0.000 0.548 3283 R N 2.492 123.063 120.500 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 55.677 56.100 0.121 0.000 0.991 3283 R CB 0.115 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 3.269 123.688 120.300 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 0.127 0.000 1.024 3284 Y CA -0.228 58.005 58.100 0.221 0.000 1.306 3284 Y CB 0.468 39.073 38.460 0.241 0.000 1.149 3284 Y HN 0.483 nan 8.280 nan 0.000 0.527 3285 L N 1.905 123.252 121.223 0.207 0.000 2.162 3285 L HA 0.012 4.352 4.340 -0.000 0.000 0.205 3285 L C 0.797 177.786 176.870 0.199 0.000 1.086 3285 L CA 0.680 55.581 54.840 0.102 0.000 0.778 3285 L CB -0.133 41.896 42.059 -0.051 0.000 0.928 3285 L HN 0.625 nan 8.230 nan 0.000 0.446 3286 S N -2.051 113.831 115.700 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 0.358 0.000 1.149 3286 S CA -0.701 57.655 58.200 0.259 0.000 0.837 3286 S CB 2.343 65.740 63.200 0.328 0.000 1.124 3286 S HN -0.074 nan 8.310 nan 0.000 0.465 3287 T N 1.987 116.667 114.554 0.210 0.000 2.921 3287 T HA 0.595 4.945 4.350 -0.000 0.000 0.297 3287 T C -0.928 173.765 174.700 -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 0.170 0.000 1.023 3287 T HN 0.660 nan 8.240 nan 0.000 0.447 3288 I N 2.334 122.840 120.570 -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 60.265 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 6.501 129.234 122.820 -0.144 0.000 2.335 3289 A HA 0.736 5.056 4.320 -0.000 0.000 0.304 3289 A C -1.002 176.658 177.584 0.127 0.000 1.118 3289 A CA -0.471 51.497 52.037 -0.116 0.000 0.757 3289 A CB 1.287 20.138 19.000 -0.248 0.000 1.188 3289 A HN 0.406 nan 8.150 nan 0.000 0.460 3290 V N 3.447 123.451 119.914 0.149 0.000 2.347 3290 V HA 0.292 4.412 4.120 -0.000 0.000 0.280 3290 V C -0.619 175.650 176.094 0.291 0.000 1.021 3290 V CA -0.399 62.030 62.300 0.215 0.000 0.847 3290 V CB 1.127 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 5.330 125.362 119.950 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 -0.220 0.000 1.213 3291 F CA -1.757 56.242 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 0.606 nan 8.300 nan 0.000 0.619 3292 D N 4.163 124.532 120.400 -0.051 0.000 2.435 3292 D HA -0.025 4.615 4.640 -0.000 0.000 0.230 3292 D C -0.097 175.880 176.300 -0.538 0.000 1.215 3292 D CA 0.057 53.697 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 2.831 120.977 118.700 -0.924 0.000 3.050 3293 N HA 0.205 4.945 4.740 -0.000 0.000 0.289 3293 N C 0.791 176.015 175.510 -0.478 0.000 1.209 3293 N CA 0.457 53.024 53.050 -0.805 0.000 1.154 3293 N CB -0.443 37.355 38.487 -1.149 0.000 1.444 3293 N HN 0.613 nan 8.380 nan 0.000 0.529 3294 G N 0.923 109.535 108.800 -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 0.956 175.734 174.900 -0.204 0.000 1.047 3294 G CA 0.524 45.503 45.100 -0.202 0.000 0.869 3294 G HN 1.121 nan 8.290 nan 0.000 0.502 3295 G N -2.403 106.231 108.800 -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 0.433 175.218 174.900 -0.192 0.000 0.984 3295 G CA 0.653 45.663 45.100 -0.150 0.000 0.633 3295 G HN 1.727 nan 8.290 nan 0.000 0.525 3296 S N 0.148 115.604 115.700 -0.407 0.000 2.489 3296 S HA 0.765 5.235 4.470 -0.000 0.000 0.291 3296 S C -0.816 173.402 174.600 -0.637 0.000 1.151 3296 S CA -0.321 57.684 58.200 -0.325 0.000 1.082 3296 S CB 0.870 63.908 63.200 -0.270 0.000 1.019 3296 S HN 0.305 nan 8.310 nan 0.000 0.492 3297 F N 2.969 122.811 119.950 -0.181 0.000 2.445 3297 F HA 0.437 4.964 4.527 -0.000 0.000 0.348 3297 F C 0.456 176.189 175.800 -0.111 0.000 1.125 3297 F CA -0.859 57.043 58.000 -0.164 0.000 0.983 3297 F CB 1.139 40.046 39.000 -0.156 0.000 1.198 3297 F HN 0.385 nan 8.300 nan 0.000 0.436 3298 N N 1.461 120.152 118.700 -0.014 0.000 2.417 3298 N HA 0.491 5.231 4.740 -0.000 0.000 0.300 3298 N C -0.427 175.145 175.510 0.103 0.000 1.102 3298 N CA -0.676 52.386 53.050 0.021 0.000 0.886 3298 N CB 2.219 40.679 38.487 -0.044 0.000 1.203 3298 N HN 0.569 nan 8.380 nan 0.000 0.496 3299 A N 0.668 123.548 122.820 0.099 0.000 3.063 3299 A HA 0.456 4.776 4.320 -0.000 0.000 0.263 3299 A C 1.360 179.052 177.584 0.180 0.000 1.736 3299 A CA 0.329 52.445 52.037 0.132 0.000 1.408 3299 A CB -1.426 17.632 19.000 0.097 0.000 1.108 3299 A HN 0.911 nan 8.150 nan 0.000 0.621 3300 G N 1.099 110.067 108.800 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 1.357 176.337 174.900 0.133 0.000 0.995 3300 G CA 1.573 46.826 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 1.485 176.209 174.700 0.040 0.000 1.126 3301 T CA 1.871 64.006 62.100 0.057 0.000 1.105 3301 T CB -0.233 68.659 68.868 0.039 0.000 0.884 3301 T HN 0.622 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 0.250 4.890 4.640 -0.000 0.000 0.218 3302 D C 0.171 176.544 176.300 0.123 0.000 1.112 3302 D CA -0.498 53.541 54.000 0.065 0.000 0.834 3302 D CB -0.285 40.513 40.800 -0.004 0.000 0.953 3302 D HN 0.482 nan 8.370 nan 0.000 0.505 3303 I N 0.474 121.074 120.570 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 2.143 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 3.836 122.427 118.700 -0.182 0.000 2.220 3304 N HA 0.012 4.752 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 1.347 54.328 53.050 -0.115 0.000 0.856 3304 N CB 0.282 38.653 38.487 -0.193 0.000 0.997 3304 N HN 0.627 nan 8.380 nan 0.000 0.429 3305 Y N -1.863 118.360 120.300 -0.129 0.000 2.713 3305 Y HA 0.641 5.191 4.550 -0.000 0.000 0.335 3305 Y C -1.773 173.956 175.900 -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 -0.282 nan 8.280 nan 0.000 0.453 3306 L N 1.602 122.776 121.223 -0.081 0.000 2.333 3306 L HA 0.927 5.267 4.340 -0.000 0.000 0.263 3306 L C -0.140 176.613 176.870 -0.195 0.000 1.014 3306 L CA -0.548 54.005 54.840 -0.478 0.000 0.820 3306 L CB 2.217 43.497 42.059 -1.298 0.000 1.352 3306 L HN 0.896 nan 8.230 nan 0.000 0.421 3307 S N -0.161 115.323 115.700 -0.360 0.000 2.636 3307 S HA 0.546 5.016 4.470 -0.000 0.000 0.266 3307 S C -2.094 172.389 174.600 -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 64.722 63.200 -0.014 0.000 1.119 3307 S HN 0.576 nan 8.310 nan 0.000 0.470 3308 Q N 1.245 121.043 119.800 -0.004 0.000 2.330 3308 Q HA 0.543 4.883 4.340 -0.000 0.000 0.269 3308 Q C -0.947 175.051 176.000 -0.003 0.000 1.022 3308 Q CA -0.584 55.242 55.803 0.038 0.000 0.796 3308 Q CB 2.252 31.062 28.738 0.120 0.000 1.271 3308 Q HN 0.551 nan 8.270 nan 0.000 0.450 3309 R N 1.107 121.609 120.500 0.004 0.000 2.686 3309 R HA 0.555 4.895 4.340 -0.000 0.000 0.283 3309 R C -0.849 175.436 176.300 -0.024 0.000 0.978 3309 R CA -0.227 55.858 56.100 -0.025 0.000 0.897 3309 R CB 1.702 31.988 30.300 -0.024 0.000 1.192 3309 R HN 0.743 nan 8.270 nan 0.000 0.457 3310 T N 0.053 114.573 114.554 -0.058 0.000 2.948 3310 T HA 0.581 4.931 4.350 -0.000 0.000 0.285 3310 T C 0.221 174.907 174.700 -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 0.915 123.734 122.820 -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 0.419 52.456 52.037 -0.001 0.000 0.937 3311 A CB -2.207 16.799 19.000 0.010 0.000 1.096 3311 A HN 1.976 nan 8.150 nan 0.000 0.534 3312 N N 0.008 118.699 118.700 -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 0.808 53.848 53.050 -0.017 0.000 3.190 3312 N CB -1.913 36.563 38.487 -0.018 0.000 1.504 3312 N HN 2.273 nan 8.380 nan 0.000 1.106 3313 F N -0.292 119.644 119.950 -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 1.418 117.093 115.700 -0.041 0.000 2.439 3314 S HA 0.458 4.928 4.470 -0.000 0.000 0.282 3314 S C -0.306 174.258 174.600 -0.061 0.000 1.170 3314 S CA -0.001 58.169 58.200 -0.050 0.000 1.054 3314 S CB 0.307 63.478 63.200 -0.049 0.000 0.956 3314 S HN 0.486 nan 8.310 nan 0.000 0.490 3315 D N 3.407 123.768 120.400 -0.065 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 -0.009 53.952 54.000 -0.066 0.000 0.871 3315 D CB 1.754 42.504 40.800 -0.083 0.000 1.167 3315 D HN 0.713 nan 8.370 nan 0.000 0.447 3316 T N -0.455 114.063 114.554 -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 -0.123 61.940 62.100 -0.062 0.000 1.063 3316 T CB 0.171 68.989 68.868 -0.084 0.000 0.948 3316 T HN 0.592 nan 8.240 nan 0.000 0.506 3317 R N 0.277 120.765 120.500 -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 -0.647 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 0.431 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 3.376 124.701 121.223 0.170 0.000 2.370 3319 L HA 0.355 4.695 4.340 -0.000 0.000 0.266 3319 L C -0.291 176.713 176.870 0.223 0.000 1.002 3319 L CA -1.384 53.578 54.840 0.204 0.000 0.818 3319 L CB 1.926 44.168 42.059 0.305 0.000 1.325 3319 L HN 0.715 nan 8.230 nan 0.000 0.418 3320 D N 0.695 121.197 120.400 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 -1.147 52.946 54.000 0.155 0.000 0.906 3320 D CB 0.626 41.497 40.800 0.118 0.000 1.187 3320 D HN 0.207 nan 8.370 nan 0.000 0.435 3321 P HA -0.197 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 1.501 64.696 63.100 0.159 0.000 0.858 3321 P CB 0.112 31.869 31.700 0.095 0.000 0.789 3322 K N -1.212 119.310 120.400 0.204 0.000 2.097 3322 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 3322 K C 1.913 178.633 176.600 0.199 0.000 1.050 3322 K CA 1.540 57.942 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 0.474 115.143 114.554 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 0.204 0.000 1.059 3323 T CA 0.598 62.795 62.100 0.160 0.000 1.137 3323 T CB -0.133 68.810 68.868 0.125 0.000 0.879 3323 T HN 0.427 nan 8.240 nan 0.000 0.467 3324 W N 2.278 123.643 121.300 0.109 0.000 2.355 3324 W HA -0.090 4.570 4.660 -0.000 0.000 0.309 3324 W C 2.466 179.103 176.519 0.196 0.000 1.206 3324 W CA 1.298 58.728 57.345 0.143 0.000 1.284 3324 W CB -0.638 28.911 29.460 0.148 0.000 1.145 3324 W HN 0.293 nan 8.180 nan 0.000 0.502 3325 A N 0.941 124.055 122.820 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 2.680 54.942 52.037 0.376 0.000 0.628 3325 A CB -1.254 17.940 19.000 0.323 0.000 0.814 3325 A HN 0.305 nan 8.150 nan 0.000 0.444 3326 A N -0.818 122.093 122.820 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 1.746 53.834 52.037 0.085 0.000 0.627 3326 A CB -0.487 18.554 19.000 0.069 0.000 0.818 3326 A HN 0.514 nan 8.150 nan 0.000 0.445 3327 Q N -0.538 119.267 119.800 0.008 0.000 2.124 3327 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 3327 Q C 2.114 178.129 176.000 0.026 0.000 0.977 3327 Q CA 1.984 57.763 55.803 -0.041 0.000 0.850 3327 Q CB -1.220 27.405 28.738 -0.189 0.000 0.901 3327 Q HN 0.647 nan 8.270 nan 0.000 0.429 3328 T N 1.040 115.649 114.554 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 0.709 62.936 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 0.703 121.245 120.500 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 0.132 120.648 120.500 0.026 0.000 2.189 3330 R HA 0.022 4.362 4.340 -0.000 0.000 0.218 3330 R C 1.886 178.201 176.300 0.026 0.000 1.074 3330 R CA 0.710 56.822 56.100 0.019 0.000 0.991 3330 R CB 0.028 30.340 30.300 0.020 0.000 0.883 3330 R HN 0.163 nan 8.270 nan 0.000 0.457 3331 R N 0.506 121.036 120.500 0.050 0.000 2.105 3331 R HA 0.139 4.479 4.340 -0.000 0.000 0.214 3331 R C 2.051 178.344 176.300 -0.012 0.000 1.091 3331 R CA 0.838 56.978 56.100 0.067 0.000 1.007 3331 R CB -0.035 30.383 30.300 0.197 0.000 0.912 3331 R HN 0.311 nan 8.270 nan 0.000 0.450 3332 I N -3.768 116.753 120.570 -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 0.108 61.305 61.300 -0.172 0.000 1.124 3332 I CB 0.838 38.603 38.000 -0.391 0.000 1.129 3332 I HN -0.025 nan 8.210 nan 0.000 0.428 3333 A N 0.242 123.007 122.820 -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 -0.078 0.000 1.351 3333 A CA 1.707 53.702 52.037 -0.070 0.000 0.904 3333 A CB -2.288 16.674 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 0.560 120.902 120.400 -0.096 0.000 2.217 3335 D HA 0.515 5.155 4.640 -0.000 0.000 0.248 3335 D C -0.288 175.924 176.300 -0.145 0.000 1.008 3335 D CA -0.131 53.832 54.000 -0.061 0.000 0.914 3335 D CB 0.824 41.642 40.800 0.030 0.000 1.182 3335 D HN 0.338 nan 8.370 nan 0.000 0.451 3336 F N 0.581 120.473 119.950 -0.096 0.000 2.399 3336 F HA 0.217 4.744 4.527 -0.000 0.000 0.313 3336 F C -1.337 174.368 175.800 -0.158 0.000 1.202 3336 F CA -1.254 56.613 58.000 -0.222 0.000 1.192 3336 F CB 0.052 38.814 39.000 -0.397 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 -1.155 176.181 177.300 0.061 0.000 1.227 3337 P CA -0.257 62.913 63.100 0.117 0.000 0.788 3337 P CB 0.334 32.203 31.700 0.282 0.000 0.926 3338 K N 1.178 121.620 120.400 0.070 0.000 2.530 3338 K HA 0.106 4.426 4.320 -0.000 0.000 0.280 3338 K C 1.299 177.960 176.600 0.101 0.000 1.004 3338 K CA 1.288 57.617 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 1.186 109.992 108.800 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 0.033 174.847 174.900 -0.143 0.000 0.977 3339 G CA 0.075 45.224 45.100 0.082 0.000 0.641 3339 G HN 0.431 nan 8.290 nan 0.000 0.533 3340 V N 1.049 120.733 119.914 -0.385 0.000 2.370 3340 V HA 0.645 4.765 4.120 -0.000 0.000 0.279 3340 V C -0.268 175.442 176.094 -0.641 0.000 1.029 3340 V CA -0.768 61.304 62.300 -0.380 0.000 0.870 3340 V CB 0.808 32.407 31.823 -0.374 0.000 0.984 3340 V HN 0.255 nan 8.190 nan 0.000 0.451 3341 Y N 4.185 124.524 120.300 0.064 0.000 2.393 3341 Y HA 0.617 5.167 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 -0.777 57.460 58.100 0.228 0.000 1.078 3341 Y CB 1.832 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 2.247 122.845 120.300 0.497 0.000 2.468 3342 Y HA 0.675 5.225 4.550 -0.000 0.000 0.342 3342 Y C -1.200 175.018 175.900 0.530 0.000 1.021 3342 Y CA -1.834 56.460 58.100 0.323 0.000 1.079 3342 Y CB 1.733 40.296 38.460 0.171 0.000 1.226 3342 Y HN 0.800 nan 8.280 nan 0.000 0.460 3343 C N 6.603 125.676 119.300 -0.378 0.000 2.505 3343 C HA 0.362 4.822 4.460 -0.000 0.000 0.342 3343 C C -1.312 173.306 174.990 -0.619 0.000 1.121 3343 C CA -0.716 58.136 59.018 -0.276 0.000 1.306 3343 C CB -0.064 27.898 27.740 0.369 0.000 1.897 3343 C HN 0.888 nan 8.230 nan 0.000 0.446 3344 D N 3.904 124.002 120.400 -0.504 0.000 2.280 3344 D HA 0.300 4.940 4.640 -0.000 0.000 0.243 3344 D C 0.106 176.375 176.300 -0.050 0.000 1.129 3344 D CA 0.322 54.195 54.000 -0.212 0.000 0.848 3344 D CB 0.763 41.567 40.800 0.007 0.000 1.107 3344 D HN 0.712 nan 8.370 nan 0.000 0.471 3345 N N 3.417 122.132 118.700 0.024 0.000 2.377 3345 N HA 0.094 4.834 4.740 -0.000 0.000 0.259 3345 N C 1.104 176.652 175.510 0.063 0.000 1.332 3345 N CA -0.163 52.916 53.050 0.050 0.000 0.877 3345 N CB 0.700 39.231 38.487 0.074 0.000 1.299 3345 N HN 0.357 nan 8.380 nan 0.000 0.501 3346 R N 0.535 121.078 120.500 0.072 0.000 2.083 3346 R HA -0.067 4.273 4.340 -0.000 0.000 0.237 3346 R C 0.724 177.042 176.300 0.031 0.000 1.137 3346 R CA 1.288 57.424 56.100 0.059 0.000 0.951 3346 R CB 0.061 30.437 30.300 0.127 0.000 0.851 3346 R HN 0.070 nan 8.270 nan 0.000 0.434 3347 D N 0.230 120.657 120.400 0.045 0.000 2.224 3347 D HA -0.029 4.611 4.640 -0.000 0.000 0.205 3347 D C 0.134 176.458 176.300 0.040 0.000 0.965 3347 D CA 1.250 55.273 54.000 0.038 0.000 0.852 3347 D CB 0.243 41.066 40.800 0.039 0.000 0.947 3347 D HN 0.104 nan 8.370 nan 0.000 0.494 3348 K N 0.635 121.067 120.400 0.053 0.000 2.827 3348 K HA 0.278 4.598 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 -1.445 54.892 56.287 0.083 0.000 0.993 3348 K CB 2.391 34.946 32.500 0.091 0.000 1.199 3348 K HN -0.108 nan 8.250 nan 0.000 0.598 3349 P HA -0.057 nan 4.420 nan 0.000 0.265 3349 P C -0.075 177.354 177.300 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 3.724 124.415 120.570 0.202 0.000 2.598 3350 I HA -0.019 4.151 4.170 -0.000 0.000 0.284 3350 I C -0.005 176.340 176.117 0.379 0.000 1.140 3350 I CA 0.363 61.779 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 6.532 126.940 120.300 0.181 0.000 2.359 3351 Y HA 0.217 4.767 4.550 -0.000 0.000 0.336 3351 Y C 0.320 176.153 175.900 -0.112 0.000 1.098 3351 Y CA -1.332 56.783 58.100 0.025 0.000 1.272 3351 Y CB 0.873 39.290 38.460 -0.071 0.000 1.112 3351 Y HN 0.709 nan 8.280 nan 0.000 0.481 3352 T N 2.337 116.801 114.554 -0.150 0.000 2.903 3352 T HA 0.375 4.725 4.350 -0.000 0.000 0.314 3352 T C 0.853 175.222 174.700 -0.551 0.000 1.078 3352 T CA 0.603 62.582 62.100 -0.201 0.000 1.114 3352 T CB 0.828 69.653 68.868 -0.072 0.000 0.987 3352 T HN 0.944 nan 8.240 nan 0.000 0.548 3353 L N -1.114 119.874 121.223 -0.392 0.000 3.294 3353 L HA -0.181 4.159 4.340 -0.000 0.000 0.437 3353 L C 1.617 178.254 176.870 -0.390 0.000 0.749 3353 L CA 1.229 55.835 54.840 -0.390 0.000 2.510 3353 L CB -1.495 40.257 42.059 -0.512 0.000 1.159 3353 L HN 0.834 nan 8.230 nan 0.000 0.602 3354 Q N 0.365 119.854 119.800 -0.519 0.000 2.391 3354 Q HA 0.070 4.410 4.340 -0.000 0.000 0.243 3354 Q C -0.191 175.564 176.000 -0.408 0.000 0.874 3354 Q CA 0.853 56.357 55.803 -0.498 0.000 0.950 3354 Q CB 0.902 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 -2.326 117.945 120.300 -0.048 0.000 2.988 3355 Y HA 0.546 5.096 4.550 -0.000 0.000 0.241 3355 Y C -0.047 175.829 175.900 -0.040 0.000 0.904 3355 Y CA -0.932 57.150 58.100 -0.031 0.000 1.146 3355 Y CB -0.426 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 1.766 110.639 108.800 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 -0.334 174.623 174.900 0.094 0.000 1.448 3356 G CA -0.253 44.891 45.100 0.073 0.000 0.911 3356 G HN 0.651 nan 8.290 nan 0.000 0.553 3357 N N -0.863 117.866 118.700 0.047 0.000 2.454 3357 N HA 0.328 5.068 4.740 -0.000 0.000 0.254 3357 N C 0.244 175.799 175.510 0.075 0.000 1.228 3357 N CA 0.264 53.344 53.050 0.050 0.000 0.900 3357 N CB 1.395 39.892 38.487 0.018 0.000 1.089 3357 N HN 0.585 nan 8.380 nan 0.000 0.449 3358 V N -0.240 119.745 119.914 0.117 0.000 2.864 3358 V HA 0.826 4.946 4.120 -0.000 0.000 0.314 3358 V C 0.601 176.857 176.094 0.271 0.000 1.073 3358 V CA -0.870 61.510 62.300 0.134 0.000 0.956 3358 V CB 2.119 33.980 31.823 0.064 0.000 1.023 3358 V HN 0.811 nan 8.190 nan 0.000 0.435 3359 G N 0.819 109.764 108.800 0.242 0.000 2.612 3359 G HA2 0.651 4.611 3.960 -0.000 0.000 0.298 3359 G HA3 0.651 4.611 3.960 -0.000 0.000 0.298 3359 G C -1.954 173.099 174.900 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 1.931 121.880 119.950 -0.001 0.000 2.408 3360 F HA 0.655 5.182 4.527 -0.000 0.000 0.344 3360 F C -0.242 175.542 175.800 -0.026 0.000 1.112 3360 F CA -0.474 57.557 58.000 0.052 0.000 1.096 3360 F CB 1.680 40.657 39.000 -0.037 0.000 1.129 3360 F HN 0.282 nan 8.300 nan 0.000 0.486 3361 V N 6.450 126.071 119.914 -0.488 0.000 2.555 3361 V HA 0.598 4.718 4.120 -0.000 0.000 0.302 3361 V C -0.869 175.001 176.094 -0.373 0.000 1.038 3361 V CA -0.866 61.267 62.300 -0.278 0.000 0.887 3361 V CB 1.675 33.416 31.823 -0.137 0.000 0.991 3361 V HN 0.574 nan 8.190 nan 0.000 0.434 3362 V N 3.747 123.545 119.914 -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 -0.653 61.461 62.300 -0.309 0.000 0.863 3362 V CB 2.019 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 6.719 125.082 118.700 -0.563 0.000 2.558 3363 N HA 0.377 5.117 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 -1.646 51.044 53.050 -0.601 0.000 0.931 3363 N CB 2.542 40.329 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 0.163 177.391 177.300 -0.120 0.000 1.239 3364 P CA -0.180 62.791 63.100 -0.215 0.000 0.789 3364 P CB 1.996 33.566 31.700 -0.217 0.000 0.933 3365 K N 1.636 122.005 120.400 -0.051 0.000 2.211 3365 K HA 0.084 4.404 4.320 -0.000 0.000 0.201 3365 K C -0.116 176.478 176.600 -0.010 0.000 1.052 3365 K CA 0.895 57.162 56.287 -0.034 0.000 0.973 3365 K CB 0.333 32.821 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 -1.538 173.190 174.700 0.046 0.000 1.031 3366 T CA -0.706 61.400 62.100 0.009 0.000 0.993 3366 T CB 2.341 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 4.130 124.051 119.914 0.012 0.000 2.419 3367 V HA 0.413 4.533 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 1.501 33.330 31.823 0.011 0.000 1.011 3367 V HN 0.773 nan 8.190 nan 0.000 0.429 3368 N N 2.341 120.993 118.700 -0.080 0.000 2.379 3368 N HA 0.231 4.971 4.740 -0.000 0.000 0.260 3368 N C 0.027 175.494 175.510 -0.072 0.000 1.254 3368 N CA -0.491 52.504 53.050 -0.091 0.000 0.958 3368 N CB 0.747 39.150 38.487 -0.139 0.000 1.208 3368 N HN 0.779 nan 8.380 nan 0.000 0.532 3369 Q N 0.573 120.336 119.800 -0.063 0.000 2.337 3369 Q HA -0.015 4.325 4.340 -0.000 0.000 0.270 3369 Q C -0.503 175.465 176.000 -0.054 0.000 1.002 3369 Q CA 0.121 55.895 55.803 -0.047 0.000 0.888 3369 Q CB 0.163 28.878 28.738 -0.037 0.000 1.222 3369 Q HN 0.436 nan 8.270 nan 0.000 0.400 3370 N N 0.341 119.017 118.700 -0.040 0.000 2.776 3370 N HA -0.185 4.555 4.740 -0.000 0.000 0.249 3370 N C -1.241 174.238 175.510 -0.050 0.000 1.111 3370 N CA 0.954 53.982 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 0.811 123.601 122.820 -0.051 0.000 2.371 3371 A HA 0.667 4.987 4.320 -0.000 0.000 0.257 3371 A C 0.874 178.446 177.584 -0.019 0.000 1.089 3371 A CA 0.191 52.212 52.037 -0.027 0.000 0.794 3371 A CB 0.624 19.647 19.000 0.038 0.000 1.029 3371 A HN 0.464 nan 8.150 nan 0.000 0.488 3372 R N 0.776 121.293 120.500 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 0.867 31.183 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 -0.647 176.292 176.870 0.115 0.000 1.023 3373 L CA -1.032 53.848 54.840 0.066 0.000 0.812 3373 L CB 1.658 43.755 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 -0.201 176.740 176.870 0.118 0.000 1.044 3374 L CA -0.318 54.640 54.840 0.198 0.000 0.810 3374 L CB 1.116 43.370 42.059 0.325 0.000 1.193 3374 L HN 0.487 nan 8.230 nan 0.000 0.425 3375 M N 2.852 122.442 119.600 -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 -0.316 0.000 1.069 3375 M CB 1.349 33.710 32.600 -0.398 0.000 1.622 3375 M HN 0.558 nan 8.290 nan 0.000 0.459 3376 G N 3.519 111.905 108.800 -0.690 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 0.229 120.582 120.300 0.089 0.000 2.485 3377 Y HA 0.578 5.128 4.550 0.000 0.000 0.345 3377 Y C 0.295 176.451 175.900 0.427 0.000 0.998 3377 Y CA -0.934 57.403 58.100 0.396 0.000 1.059 3377 Y CB 2.811 41.630 38.460 0.598 0.000 1.234 3377 Y HN 0.488 nan 8.280 nan 0.000 0.461 3378 E N 2.744 123.278 120.200 0.557 0.000 2.191 3378 E HA 0.424 4.774 4.350 -0.000 0.000 0.263 3378 E C -1.873 174.889 176.600 0.270 0.000 0.881 3378 E CA -0.673 55.892 56.400 0.276 0.000 0.757 3378 E CB 1.262 31.150 29.700 0.314 0.000 1.147 3378 E HN 0.584 nan 8.360 nan 0.000 0.414 3379 Y N 1.737 122.040 120.300 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 -0.406 0.000 1.298 3379 Y HN 0.285 nan 8.280 nan 0.000 0.459 3380 F N 0.813 120.864 119.950 0.168 0.000 2.480 3380 F HA 0.708 5.235 4.527 -0.000 0.000 0.329 3380 F C 0.224 176.086 175.800 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 -1.040 173.710 174.700 0.083 0.000 1.291 3381 T CA -0.514 61.686 62.100 0.167 0.000 1.028 3381 T CB 1.557 70.507 68.868 0.137 0.000 1.235 3381 T HN 0.484 nan 8.240 nan 0.000 0.491 3382 S N 2.135 117.881 115.700 0.077 0.000 2.565 3382 S HA 0.384 4.854 4.470 -0.000 0.000 0.276 3382 S C 0.368 174.986 174.600 0.029 0.000 1.326 3382 S CA -0.586 57.635 58.200 0.034 0.000 1.045 3382 S CB 0.616 63.838 63.200 0.036 0.000 0.918 3382 S HN 0.660 nan 8.310 nan 0.000 0.505 3383 R N 1.226 121.729 120.500 0.005 0.000 2.726 3383 R HA 0.466 4.806 4.340 -0.000 0.000 0.272 3383 R C 0.639 176.952 176.300 0.021 0.000 1.097 3383 R CA 0.834 56.935 56.100 0.001 0.000 1.198 3383 R CB -0.372 29.929 30.300 0.002 0.000 1.114 3383 R HN 0.918 nan 8.270 nan 0.000 0.550 3384 T N 0.000 114.569 114.554 0.025 0.000 3.816 3384 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 3384 T CA 0.000 62.118 62.100 0.031 0.000 1.349 3384 T CB 0.000 68.884 68.868 0.027 0.000 0.612 3384 T HN 0.000 nan 8.240 nan 0.000 0.658