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 1pj2_1_D DATA FIRST_RESID 3021 DATA SEQUENCE IKEKGKPLXL NPRTNKGXAF TLQERQXLGL QGLLPPKIET QDIQALRFHR DATA SEQUENCE NLKKXTSPLE KYIYIXGIQE RNEKLFYRIL QDDIESLXPI VYTPTVGLAC DATA SEQUENCE SQYGHIFRRP KGLFISISDR GHVRSIVDNW PENHVKAVVV TDGERILGLG DATA SEQUENCE DLGVYGXGIP VGKLCLYTAC AGIRPDRCLP VCIDVGTDNI ALLKDPFYXG DATA SEQUENCE LYQKRDRTQQ YDDLIDEFXK AITDRYGRNT LIQFEDFGNH NAFRFLRKYR DATA SEQUENCE EKYCTFNDDI QGTAAVALAG LLAAQKVISK PISEHKILFL GAGEAALGIA DATA SEQUENCE NLIVXSXVEN GLSEQEAQKK IWXFDKYGLL VKGRKAKIDS YQEPFTHSAP DATA SEQUENCE ESIPDTFEDA VNILKPSTII GVAGAGRLFT PDVIRAXASI NERPVIFALS DATA SEQUENCE NPTAQAECTA EEAYTLTEGR CLFASGSPFG PVKLTDGRVF TPGQGNNVYI DATA SEQUENCE FPGVALAVIL CNTRHISDSV FLEAAKALTS QLTDEELAQG RLYPPLANIQ DATA SEQUENCE EVSINIAIKV TEYLYANKXA FRYPEPEDKA KYVKERTWRS EYDSLLPDVY DATA SEQUENCE EWP 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 3021 I HA 0.000 nan 4.170 nan 0.000 0.288 3021 I C 0.000 176.136 176.117 0.032 0.000 1.063 3021 I CA 0.000 61.328 61.300 0.047 0.000 1.566 3021 I CB 0.000 38.035 38.000 0.058 0.000 1.214 3022 K N 2.683 123.098 120.400 0.025 0.000 2.186 3022 K HA 0.069 4.376 4.320 -0.022 0.000 0.202 3022 K C 0.560 177.164 176.600 0.008 0.000 1.052 3022 K CA 1.111 57.407 56.287 0.016 0.000 0.965 3022 K CB 0.561 33.069 32.500 0.013 0.000 0.746 3022 K HN 0.560 nan 8.250 nan 0.000 0.457 3023 E N 1.399 121.603 120.200 0.008 0.000 2.373 3023 E HA 0.124 4.461 4.350 -0.022 0.000 0.263 3023 E C -0.795 175.800 176.600 -0.008 0.000 1.073 3023 E CA -0.023 56.376 56.400 -0.001 0.000 0.894 3023 E CB 0.811 30.511 29.700 -0.000 0.000 1.008 3023 E HN 0.196 nan 8.360 nan 0.000 0.420 3024 K N 0.949 121.335 120.400 -0.023 0.000 2.533 3024 K HA 0.791 5.097 4.320 -0.022 0.000 0.272 3024 K C 0.051 176.616 176.600 -0.058 0.000 0.985 3024 K CA -0.593 55.668 56.287 -0.043 0.000 0.876 3024 K CB 1.428 33.903 32.500 -0.042 0.000 1.452 3024 K HN 0.674 nan 8.250 nan 0.000 0.439 3025 G N 1.539 110.285 108.800 -0.089 0.000 2.593 3025 G HA2 -0.332 3.615 3.960 -0.022 0.000 0.237 3025 G HA3 -0.332 3.615 3.960 -0.022 0.000 0.237 3025 G C 0.447 175.291 174.900 -0.093 0.000 1.312 3025 G CA 0.449 45.493 45.100 -0.093 0.000 0.896 3025 G HN 0.845 nan 8.290 nan 0.000 0.574 3026 K N 1.075 121.431 120.400 -0.073 0.000 2.107 3026 K HA -0.097 4.209 4.320 -0.022 0.000 0.211 3026 K C 0.177 176.753 176.600 -0.040 0.000 1.049 3026 K CA 2.892 59.145 56.287 -0.057 0.000 0.927 3026 K CB -1.271 31.204 32.500 -0.042 0.000 0.714 3026 K HN 0.341 nan 8.250 nan 0.000 0.452 3027 P HA -0.151 nan 4.420 nan 0.000 0.218 3027 P C 0.044 177.342 177.300 -0.004 0.000 1.146 3027 P CA 0.961 64.049 63.100 -0.020 0.000 0.813 3027 P CB 0.023 31.710 31.700 -0.021 0.000 0.778 3031 N N 3.151 121.857 118.700 0.011 0.000 2.420 3031 N HA 0.208 4.934 4.740 -0.022 0.000 0.249 3031 N C -1.723 173.795 175.510 0.014 0.000 1.033 3031 N CA -1.660 51.389 53.050 -0.001 0.000 0.944 3031 N CB 1.800 40.291 38.487 0.006 0.000 1.113 3031 N HN -0.028 nan 8.380 nan 0.000 0.502 3032 P HA -0.151 nan 4.420 nan 0.000 0.219 3032 P C 1.114 178.432 177.300 0.030 0.000 1.146 3032 P CA 0.817 63.910 63.100 -0.012 0.000 0.808 3032 P CB 0.590 32.248 31.700 -0.069 0.000 0.779 3033 R N 0.686 121.204 120.500 0.031 0.000 2.096 3033 R HA -0.088 4.239 4.340 -0.022 0.000 0.235 3033 R C 2.211 178.578 176.300 0.112 0.000 1.127 3033 R CA 2.449 58.593 56.100 0.073 0.000 0.968 3033 R CB -1.267 29.059 30.300 0.043 0.000 0.861 3033 R HN 0.309 nan 8.270 nan 0.000 0.440 3034 T N -3.434 111.177 114.554 0.096 0.000 2.990 3034 T HA 0.138 4.475 4.350 -0.022 0.000 0.249 3034 T C 0.548 175.309 174.700 0.102 0.000 1.039 3034 T CA -0.279 61.893 62.100 0.119 0.000 1.036 3034 T CB -0.281 68.673 68.868 0.143 0.000 0.994 3034 T HN 0.054 nan 8.240 nan 0.000 0.489 3035 N N 2.096 120.853 118.700 0.095 0.000 2.411 3035 N HA 0.080 4.807 4.740 -0.022 0.000 0.265 3035 N C 0.563 175.959 175.510 -0.190 0.000 1.266 3035 N CA 0.291 53.383 53.050 0.070 0.000 0.889 3035 N CB 0.617 39.154 38.487 0.083 0.000 1.069 3035 N HN 0.342 nan 8.380 nan 0.000 0.476 3036 K N 2.278 122.248 120.400 -0.716 0.000 2.355 3036 K HA 0.219 4.525 4.320 -0.022 0.000 0.198 3036 K C 0.805 177.081 176.600 -0.540 0.000 1.039 3036 K CA 0.166 55.852 56.287 -1.001 0.000 1.075 3036 K CB 0.217 31.580 32.500 -1.895 0.000 0.870 3036 K HN 0.799 nan 8.250 nan 0.000 0.540 3040 F N 3.253 123.079 119.950 -0.207 0.000 2.623 3040 F HA 0.271 4.785 4.527 -0.022 0.000 0.383 3040 F C 1.788 177.532 175.800 -0.093 0.000 1.077 3040 F CA 1.489 59.398 58.000 -0.153 0.000 1.268 3040 F CB 0.704 39.638 39.000 -0.111 0.000 1.053 3040 F HN 0.321 nan 8.300 nan 0.000 0.571 3041 T N 1.691 116.321 114.554 0.127 0.000 2.813 3041 T HA 0.095 4.431 4.350 -0.022 0.000 0.297 3041 T C 0.984 175.720 174.700 0.060 0.000 1.036 3041 T CA -0.931 61.209 62.100 0.067 0.000 1.044 3041 T CB 0.959 69.856 68.868 0.048 0.000 0.993 3041 T HN 0.586 nan 8.240 nan 0.000 0.535 3042 L N 0.582 121.826 121.223 0.034 0.000 2.046 3042 L HA -0.037 4.289 4.340 -0.022 0.000 0.208 3042 L C 2.867 179.741 176.870 0.007 0.000 1.077 3042 L CA 1.818 56.668 54.840 0.016 0.000 0.747 3042 L CB -1.081 40.984 42.059 0.011 0.000 0.896 3042 L HN 0.918 nan 8.230 nan 0.000 0.432 3043 Q N -0.627 119.182 119.800 0.014 0.000 2.050 3043 Q HA -0.239 4.088 4.340 -0.022 0.000 0.202 3043 Q C 2.110 178.112 176.000 0.003 0.000 0.980 3043 Q CA 2.085 57.893 55.803 0.008 0.000 0.840 3043 Q CB -0.063 28.684 28.738 0.015 0.000 0.898 3043 Q HN 0.644 nan 8.270 nan 0.000 0.424 3044 E N -0.154 120.060 120.200 0.023 0.000 2.085 3044 E HA -0.210 4.126 4.350 -0.022 0.000 0.194 3044 E C 2.095 178.660 176.600 -0.059 0.000 0.994 3044 E CA 0.961 57.373 56.400 0.020 0.000 0.801 3044 E CB -0.014 29.754 29.700 0.114 0.000 0.743 3044 E HN 0.273 nan 8.360 nan 0.000 0.453 3045 R N 0.934 121.393 120.500 -0.069 0.000 2.073 3045 R HA -0.086 4.241 4.340 -0.022 0.000 0.234 3045 R C 1.304 177.541 176.300 -0.105 0.000 1.134 3045 R CA 0.895 56.913 56.100 -0.136 0.000 0.952 3045 R CB -0.236 30.010 30.300 -0.090 0.000 0.850 3045 R HN 0.263 nan 8.270 nan 0.000 0.433 3049 G N 1.495 110.228 108.800 -0.112 0.000 2.248 3049 G HA2 -0.245 3.702 3.960 -0.022 0.000 0.263 3049 G HA3 -0.245 3.702 3.960 -0.022 0.000 0.263 3049 G C 0.258 175.078 174.900 -0.133 0.000 1.082 3049 G CA 0.520 45.558 45.100 -0.104 0.000 0.863 3049 G HN 0.297 nan 8.290 nan 0.000 0.495 3050 L N -1.242 119.881 121.223 -0.168 0.000 2.817 3050 L HA 0.287 4.613 4.340 -0.022 0.000 0.248 3050 L C 1.357 178.148 176.870 -0.132 0.000 1.133 3050 L CA -0.320 54.402 54.840 -0.196 0.000 0.935 3050 L CB 0.261 42.102 42.059 -0.363 0.000 1.266 3050 L HN 0.306 nan 8.230 nan 0.000 0.535 3051 Q N 1.237 120.977 119.800 -0.100 0.000 2.269 3051 Q HA 0.227 4.554 4.340 -0.022 0.000 0.300 3051 Q C 1.198 177.166 176.000 -0.053 0.000 1.070 3051 Q CA 1.564 57.328 55.803 -0.066 0.000 0.957 3051 Q CB 0.514 29.220 28.738 -0.052 0.000 1.131 3051 Q HN 0.385 nan 8.270 nan 0.000 0.377 3052 G N 3.124 111.900 108.800 -0.040 0.000 2.268 3052 G HA2 -0.273 3.674 3.960 -0.022 0.000 0.240 3052 G HA3 -0.273 3.674 3.960 -0.022 0.000 0.240 3052 G C 0.533 175.414 174.900 -0.032 0.000 1.010 3052 G CA 0.303 45.384 45.100 -0.031 0.000 0.618 3052 G HN 0.578 nan 8.290 nan 0.000 0.516 3053 L N 0.195 121.391 121.223 -0.045 0.000 2.591 3053 L HA 0.460 4.786 4.340 -0.022 0.000 0.228 3053 L C 0.890 177.744 176.870 -0.027 0.000 1.133 3053 L CA 0.458 55.273 54.840 -0.042 0.000 0.880 3053 L CB -0.032 41.989 42.059 -0.063 0.000 1.033 3053 L HN 0.215 nan 8.230 nan 0.000 0.450 3054 L N -0.893 120.318 121.223 -0.021 0.000 2.388 3054 L HA 0.481 4.808 4.340 -0.022 0.000 0.264 3054 L C -2.302 174.572 176.870 0.007 0.000 0.998 3054 L CA -1.885 52.958 54.840 0.004 0.000 0.817 3054 L CB 2.038 44.109 42.059 0.021 0.000 1.338 3054 L HN -0.250 nan 8.230 nan 0.000 0.414 3055 P HA 0.097 nan 4.420 nan 0.000 0.267 3055 P C -2.081 175.227 177.300 0.014 0.000 1.200 3055 P CA -0.803 62.304 63.100 0.013 0.000 0.772 3055 P CB 0.157 31.868 31.700 0.018 0.000 0.855 3056 P HA -0.178 nan 4.420 nan 0.000 0.217 3056 P C 0.130 177.438 177.300 0.014 0.000 1.148 3056 P CA 1.331 64.436 63.100 0.008 0.000 0.828 3056 P CB 0.006 31.709 31.700 0.006 0.000 0.783 3057 K N 1.025 121.435 120.400 0.017 0.000 2.472 3057 K HA 0.017 4.324 4.320 -0.022 0.000 0.280 3057 K C -0.249 176.366 176.600 0.025 0.000 1.028 3057 K CA 0.533 56.832 56.287 0.020 0.000 1.045 3057 K CB -0.386 32.127 32.500 0.022 0.000 0.902 3057 K HN -0.075 nan 8.250 nan 0.000 0.478 3058 I N 4.958 125.542 120.570 0.024 0.000 2.321 3058 I HA 0.207 4.364 4.170 -0.022 0.000 0.291 3058 I C 0.368 176.500 176.117 0.025 0.000 0.998 3058 I CA -0.259 61.056 61.300 0.026 0.000 1.227 3058 I CB 1.082 39.096 38.000 0.024 0.000 1.368 3058 I HN 0.763 nan 8.210 nan 0.000 0.466 3059 E N 3.826 124.040 120.200 0.024 0.000 2.232 3059 E HA 0.521 4.858 4.350 -0.022 0.000 0.264 3059 E C -0.157 176.467 176.600 0.040 0.000 0.973 3059 E CA -0.683 55.736 56.400 0.033 0.000 0.849 3059 E CB 2.040 31.763 29.700 0.040 0.000 1.198 3059 E HN 0.621 nan 8.360 nan 0.000 0.407 3060 T N -2.387 112.203 114.554 0.059 0.000 2.948 3060 T HA 0.120 4.457 4.350 -0.022 0.000 0.285 3060 T C 0.897 175.672 174.700 0.124 0.000 1.019 3060 T CA -0.699 61.451 62.100 0.084 0.000 1.013 3060 T CB 1.684 70.588 68.868 0.060 0.000 1.117 3060 T HN 0.494 nan 8.240 nan 0.000 0.533 3061 Q N -0.290 119.606 119.800 0.159 0.000 2.167 3061 Q HA -0.143 4.184 4.340 -0.022 0.000 0.202 3061 Q C 1.162 177.192 176.000 0.049 0.000 0.970 3061 Q CA 1.485 57.361 55.803 0.122 0.000 0.855 3061 Q CB -0.155 28.539 28.738 -0.073 0.000 0.911 3061 Q HN 0.700 nan 8.270 nan 0.000 0.438 3062 D N 0.476 120.901 120.400 0.042 0.000 2.123 3062 D HA -0.170 4.457 4.640 -0.022 0.000 0.196 3062 D C 1.771 178.110 176.300 0.064 0.000 0.992 3062 D CA 1.100 55.126 54.000 0.043 0.000 0.833 3062 D CB -0.149 40.672 40.800 0.035 0.000 0.954 3062 D HN 0.352 nan 8.370 nan 0.000 0.455 3063 I N 0.604 121.213 120.570 0.065 0.000 2.202 3063 I HA -0.275 3.881 4.170 -0.022 0.000 0.242 3063 I C 2.435 178.601 176.117 0.081 0.000 1.091 3063 I CA 1.041 62.382 61.300 0.068 0.000 1.368 3063 I CB -0.237 37.798 38.000 0.059 0.000 1.058 3063 I HN -0.020 nan 8.210 nan 0.000 0.410 3064 Q N 0.610 120.460 119.800 0.083 0.000 2.096 3064 Q HA -0.208 4.118 4.340 -0.022 0.000 0.204 3064 Q C 2.451 178.507 176.000 0.093 0.000 0.982 3064 Q CA 1.843 57.699 55.803 0.087 0.000 0.850 3064 Q CB -0.318 28.474 28.738 0.091 0.000 0.901 3064 Q HN 0.590 nan 8.270 nan 0.000 0.422 3065 A N 0.785 123.651 122.820 0.077 0.000 1.933 3065 A HA -0.153 4.154 4.320 -0.022 0.000 0.218 3065 A C 1.991 179.689 177.584 0.191 0.000 1.175 3065 A CA 0.875 52.965 52.037 0.089 0.000 0.628 3065 A CB -0.596 18.456 19.000 0.086 0.000 0.814 3065 A HN 0.380 nan 8.150 nan 0.000 0.444 3066 L N -0.849 120.481 121.223 0.178 0.000 2.093 3066 L HA -0.153 4.173 4.340 -0.022 0.000 0.208 3066 L C 2.787 179.748 176.870 0.153 0.000 1.085 3066 L CA 1.769 56.721 54.840 0.186 0.000 0.755 3066 L CB -0.374 41.758 42.059 0.121 0.000 0.904 3066 L HN 0.554 nan 8.230 nan 0.000 0.435 3067 R N -0.519 120.061 120.500 0.133 0.000 2.081 3067 R HA -0.269 4.057 4.340 -0.022 0.000 0.235 3067 R C 2.370 178.761 176.300 0.151 0.000 1.131 3067 R CA 2.020 58.193 56.100 0.122 0.000 0.960 3067 R CB -0.583 29.789 30.300 0.120 0.000 0.856 3067 R HN 0.301 nan 8.270 nan 0.000 0.436 3068 F N 1.143 121.108 119.950 0.024 0.000 2.069 3068 F HA -0.237 4.277 4.527 -0.022 0.000 0.298 3068 F C 1.834 177.651 175.800 0.028 0.000 1.113 3068 F CA 2.321 60.323 58.000 0.002 0.000 1.214 3068 F CB -0.658 38.203 39.000 -0.232 0.000 0.978 3068 F HN 0.160 nan 8.300 nan 0.000 0.474 3069 H N -0.416 118.575 119.070 -0.132 0.000 2.421 3069 H HA -0.080 4.463 4.556 -0.023 0.000 0.298 3069 H C 2.278 177.500 175.328 -0.176 0.000 1.087 3069 H CA 1.221 57.120 56.048 -0.248 0.000 1.330 3069 H CB -0.018 29.738 29.762 -0.010 0.000 1.388 3069 H HN 0.080 nan 8.280 nan 0.000 0.526 3070 R N 0.678 121.192 120.500 0.024 0.000 2.073 3070 R HA -0.083 4.244 4.340 -0.022 0.000 0.234 3070 R C 1.755 178.018 176.300 -0.061 0.000 1.134 3070 R CA 0.927 57.026 56.100 -0.003 0.000 0.952 3070 R CB -0.632 29.678 30.300 0.017 0.000 0.850 3070 R HN 0.477 nan 8.270 nan 0.000 0.433 3071 N N 1.056 119.703 118.700 -0.088 0.000 2.188 3071 N HA -0.135 4.592 4.740 -0.022 0.000 0.184 3071 N C 1.850 177.231 175.510 -0.216 0.000 1.018 3071 N CA 0.684 53.638 53.050 -0.160 0.000 0.858 3071 N CB -0.291 38.083 38.487 -0.189 0.000 0.989 3071 N HN 0.070 nan 8.380 nan 0.000 0.426 3072 L N 1.663 122.737 121.223 -0.249 0.000 2.046 3072 L HA -0.096 4.231 4.340 -0.022 0.000 0.208 3072 L C 2.121 178.923 176.870 -0.114 0.000 1.077 3072 L CA 1.633 56.340 54.840 -0.222 0.000 0.747 3072 L CB -0.426 41.350 42.059 -0.470 0.000 0.896 3072 L HN -0.095 nan 8.230 nan 0.000 0.432 3073 K N 0.173 120.518 120.400 -0.091 0.000 2.152 3073 K HA -0.123 4.184 4.320 -0.022 0.000 0.206 3073 K C 0.856 177.429 176.600 -0.045 0.000 1.048 3073 K CA 1.157 57.416 56.287 -0.046 0.000 0.933 3073 K CB -0.106 32.377 32.500 -0.030 0.000 0.721 3073 K HN 0.272 nan 8.250 nan 0.000 0.447 3077 S N 3.010 118.722 115.700 0.020 0.000 2.600 3077 S HA 0.507 4.963 4.470 -0.022 0.000 0.265 3077 S C -1.941 172.690 174.600 0.051 0.000 1.325 3077 S CA -0.684 57.535 58.200 0.030 0.000 1.002 3077 S CB 0.862 64.077 63.200 0.025 0.000 0.921 3077 S HN 0.233 nan 8.310 nan 0.000 0.554 3078 P HA 0.076 nan 4.420 nan 0.000 0.221 3078 P C 1.490 178.861 177.300 0.119 0.000 1.155 3078 P CA 0.067 63.217 63.100 0.082 0.000 0.812 3078 P CB 0.022 31.756 31.700 0.057 0.000 0.801 3079 L N 0.392 121.666 121.223 0.085 0.000 2.109 3079 L HA -0.083 4.244 4.340 -0.022 0.000 0.207 3079 L C 2.222 179.193 176.870 0.168 0.000 1.086 3079 L CA 1.864 56.767 54.840 0.105 0.000 0.760 3079 L CB -1.196 40.884 42.059 0.034 0.000 0.910 3079 L HN -0.071 nan 8.230 nan 0.000 0.437 3080 E N -0.398 119.870 120.200 0.114 0.000 2.051 3080 E HA -0.275 4.061 4.350 -0.022 0.000 0.192 3080 E C 2.094 178.791 176.600 0.162 0.000 0.991 3080 E CA 1.477 57.939 56.400 0.103 0.000 0.799 3080 E CB -0.021 29.708 29.700 0.048 0.000 0.748 3080 E HN 0.505 nan 8.360 nan 0.000 0.449 3081 K N -0.402 120.104 120.400 0.176 0.000 2.057 3081 K HA -0.205 4.101 4.320 -0.022 0.000 0.207 3081 K C 2.172 178.943 176.600 0.283 0.000 1.049 3081 K CA 1.528 57.959 56.287 0.240 0.000 0.931 3081 K CB -0.397 32.221 32.500 0.195 0.000 0.714 3081 K HN 0.265 nan 8.250 nan 0.000 0.440 3082 Y N 1.791 122.176 120.300 0.142 0.000 2.114 3082 Y HA -0.218 4.319 4.550 -0.023 0.000 0.284 3082 Y C 1.888 177.862 175.900 0.123 0.000 1.143 3082 Y CA 1.428 59.606 58.100 0.130 0.000 1.135 3082 Y CB -0.217 38.303 38.460 0.099 0.000 0.980 3082 Y HN -0.072 nan 8.280 nan 0.000 0.499 3083 I N -0.646 120.055 120.570 0.220 0.000 2.208 3083 I HA -0.350 3.807 4.170 -0.022 0.000 0.245 3083 I C 2.209 178.362 176.117 0.059 0.000 1.097 3083 I CA 1.806 63.161 61.300 0.092 0.000 1.363 3083 I CB -0.597 37.488 38.000 0.141 0.000 1.051 3083 I HN 0.352 nan 8.210 nan 0.000 0.413 3084 Y N 2.220 122.521 120.300 0.001 0.000 2.163 3084 Y HA -0.090 4.447 4.550 -0.022 0.000 0.288 3084 Y C 1.456 177.385 175.900 0.047 0.000 1.136 3084 Y CA 0.355 58.472 58.100 0.028 0.000 1.147 3084 Y CB -0.440 38.063 38.460 0.072 0.000 0.987 3084 Y HN 0.142 nan 8.280 nan 0.000 0.509 3088 I N 1.487 121.890 120.570 -0.279 0.000 2.361 3088 I HA -0.157 4.000 4.170 -0.022 0.000 0.251 3088 I C 2.608 178.506 176.117 -0.365 0.000 1.133 3088 I CA 1.645 62.789 61.300 -0.259 0.000 1.413 3088 I CB -0.016 37.832 38.000 -0.254 0.000 1.073 3088 I HN 0.282 nan 8.210 nan 0.000 0.424 3089 Q N 1.051 120.409 119.800 -0.737 0.000 2.291 3089 Q HA -0.182 4.145 4.340 -0.022 0.000 0.205 3089 Q C 1.287 176.975 176.000 -0.520 0.000 0.970 3089 Q CA 1.115 56.272 55.803 -1.077 0.000 0.876 3089 Q CB 0.252 27.882 28.738 -1.847 0.000 0.935 3089 Q HN 0.447 nan 8.270 nan 0.000 0.455 3090 E N -0.363 119.611 120.200 -0.377 0.000 2.463 3090 E HA 0.074 4.410 4.350 -0.022 0.000 0.193 3090 E C 0.879 177.383 176.600 -0.161 0.000 1.041 3090 E CA 0.069 56.327 56.400 -0.236 0.000 0.879 3090 E CB 0.534 30.104 29.700 -0.218 0.000 0.997 3090 E HN 0.341 nan 8.360 nan 0.000 0.478 3091 R N -0.142 120.265 120.500 -0.155 0.000 2.302 3091 R HA 0.151 4.478 4.340 -0.022 0.000 0.187 3091 R C 0.468 176.738 176.300 -0.050 0.000 0.904 3091 R CA 0.056 56.105 56.100 -0.085 0.000 1.105 3091 R CB 0.555 30.813 30.300 -0.070 0.000 1.239 3091 R HN -0.129 nan 8.270 nan 0.000 0.620 3092 N N 1.209 119.874 118.700 -0.059 0.000 2.653 3092 N HA 0.015 4.742 4.740 -0.022 0.000 0.261 3092 N C -0.196 175.327 175.510 0.023 0.000 1.216 3092 N CA 0.056 53.111 53.050 0.008 0.000 0.784 3092 N CB 1.419 39.926 38.487 0.034 0.000 1.327 3092 N HN 0.094 nan 8.380 nan 0.000 0.539 3093 E N 2.006 122.233 120.200 0.045 0.000 2.070 3093 E HA -0.209 4.128 4.350 -0.022 0.000 0.197 3093 E C 0.923 177.692 176.600 0.281 0.000 1.004 3093 E CA 1.264 57.728 56.400 0.106 0.000 0.805 3093 E CB 0.357 30.148 29.700 0.152 0.000 0.744 3093 E HN 0.384 nan 8.360 nan 0.000 0.451 3094 K N 0.371 120.956 120.400 0.308 0.000 2.032 3094 K HA -0.187 4.119 4.320 -0.022 0.000 0.209 3094 K C 2.263 178.887 176.600 0.041 0.000 1.048 3094 K CA 0.788 57.226 56.287 0.252 0.000 0.927 3094 K CB -0.604 31.943 32.500 0.079 0.000 0.712 3094 K HN 0.205 nan 8.250 nan 0.000 0.441 3095 L N 0.872 122.095 121.223 -0.001 0.000 2.083 3095 L HA -0.138 4.189 4.340 -0.022 0.000 0.209 3095 L C 2.183 178.966 176.870 -0.144 0.000 1.083 3095 L CA 1.352 56.136 54.840 -0.094 0.000 0.752 3095 L CB -0.699 41.339 42.059 -0.035 0.000 0.899 3095 L HN 0.058 nan 8.230 nan 0.000 0.433 3096 F N -0.283 119.490 119.950 -0.294 0.000 2.065 3096 F HA -0.308 4.205 4.527 -0.023 0.000 0.298 3096 F C 2.113 177.644 175.800 -0.448 0.000 1.112 3096 F CA 2.004 59.719 58.000 -0.475 0.000 1.212 3096 F CB -0.834 37.815 39.000 -0.586 0.000 0.975 3096 F HN 0.169 nan 8.300 nan 0.000 0.476 3097 Y N -0.525 119.702 120.300 -0.122 0.000 2.439 3097 Y HA -0.129 4.408 4.550 -0.021 0.000 0.292 3097 Y C 2.478 178.269 175.900 -0.181 0.000 1.130 3097 Y CA 0.839 58.831 58.100 -0.180 0.000 1.254 3097 Y CB -0.375 38.199 38.460 0.190 0.000 1.000 3097 Y HN 0.027 nan 8.280 nan 0.000 0.554 3098 R N 0.776 121.233 120.500 -0.072 0.000 2.090 3098 R HA -0.103 4.223 4.340 -0.022 0.000 0.228 3098 R C 1.705 177.907 176.300 -0.163 0.000 1.110 3098 R CA 1.417 57.444 56.100 -0.122 0.000 0.973 3098 R CB -0.914 29.280 30.300 -0.176 0.000 0.869 3098 R HN 0.215 nan 8.270 nan 0.000 0.440 3099 I N 0.331 120.715 120.570 -0.311 0.000 2.179 3099 I HA -0.168 3.988 4.170 -0.022 0.000 0.242 3099 I C 1.730 177.676 176.117 -0.285 0.000 1.088 3099 I CA 1.049 62.090 61.300 -0.431 0.000 1.357 3099 I CB -0.487 36.924 38.000 -0.982 0.000 1.051 3099 I HN 0.146 nan 8.210 nan 0.000 0.409 3100 L N -0.237 120.762 121.223 -0.373 0.000 2.046 3100 L HA -0.223 4.103 4.340 -0.022 0.000 0.208 3100 L C 2.514 179.324 176.870 -0.099 0.000 1.077 3100 L CA 1.697 56.385 54.840 -0.253 0.000 0.747 3100 L CB -1.125 40.728 42.059 -0.344 0.000 0.896 3100 L HN 0.387 nan 8.230 nan 0.000 0.432 3101 Q N -0.592 119.163 119.800 -0.076 0.000 2.167 3101 Q HA -0.221 4.105 4.340 -0.022 0.000 0.202 3101 Q C 1.536 177.530 176.000 -0.009 0.000 0.970 3101 Q CA 1.480 57.263 55.803 -0.034 0.000 0.855 3101 Q CB 0.019 28.740 28.738 -0.029 0.000 0.911 3101 Q HN 0.428 nan 8.270 nan 0.000 0.438 3102 D N 0.618 121.029 120.400 0.018 0.000 2.221 3102 D HA -0.115 4.512 4.640 -0.022 0.000 0.204 3102 D C -0.092 176.245 176.300 0.062 0.000 0.982 3102 D CA 1.315 55.361 54.000 0.077 0.000 0.857 3102 D CB 0.074 41.017 40.800 0.238 0.000 0.934 3102 D HN 0.264 nan 8.370 nan 0.000 0.475 3103 D N -1.275 119.165 120.400 0.066 0.000 2.914 3103 D HA -0.015 4.612 4.640 -0.022 0.000 0.236 3103 D C 0.540 176.863 176.300 0.039 0.000 1.405 3103 D CA -0.346 53.683 54.000 0.048 0.000 0.900 3103 D CB -0.422 40.412 40.800 0.058 0.000 1.518 3103 D HN -0.173 nan 8.370 nan 0.000 0.548 3104 I N 1.670 122.241 120.570 0.003 0.000 2.335 3104 I HA -0.089 4.068 4.170 -0.022 0.000 0.251 3104 I C 1.854 177.968 176.117 -0.006 0.000 1.129 3104 I CA 1.704 62.992 61.300 -0.019 0.000 1.402 3104 I CB 0.022 37.991 38.000 -0.052 0.000 1.069 3104 I HN 0.521 nan 8.210 nan 0.000 0.424 3105 E N -0.179 120.024 120.200 0.004 0.000 2.047 3105 E HA -0.229 4.108 4.350 -0.022 0.000 0.191 3105 E C 2.253 178.876 176.600 0.038 0.000 0.987 3105 E CA 1.624 58.033 56.400 0.015 0.000 0.799 3105 E CB -0.182 29.530 29.700 0.020 0.000 0.752 3105 E HN 0.630 nan 8.360 nan 0.000 0.449 3106 S N -0.202 115.529 115.700 0.050 0.000 2.461 3106 S HA 0.041 4.498 4.470 -0.022 0.000 0.228 3106 S C 1.154 175.807 174.600 0.088 0.000 1.005 3106 S CA -0.082 58.158 58.200 0.067 0.000 0.942 3106 S CB -0.172 63.068 63.200 0.067 0.000 0.776 3106 S HN 0.112 nan 8.310 nan 0.000 0.514 3110 I N 0.067 120.728 120.570 0.151 0.000 2.729 3110 I HA -0.031 4.125 4.170 -0.022 0.000 0.256 3110 I C 1.904 178.210 176.117 0.314 0.000 1.115 3110 I CA 0.803 62.224 61.300 0.203 0.000 1.446 3110 I CB 0.062 38.184 38.000 0.203 0.000 1.176 3110 I HN -0.149 nan 8.210 nan 0.000 0.446 3111 V N -2.400 117.691 119.914 0.294 0.000 3.306 3111 V HA 0.002 4.108 4.120 -0.022 0.000 0.264 3111 V C 0.961 177.300 176.094 0.408 0.000 1.149 3111 V CA 0.756 63.275 62.300 0.365 0.000 1.143 3111 V CB -0.873 31.085 31.823 0.225 0.000 0.767 3111 V HN 0.359 nan 8.190 nan 0.000 0.476 3112 Y N 0.279 120.669 120.300 0.149 0.000 3.300 3112 Y HA 0.583 5.120 4.550 -0.022 0.000 0.297 3112 Y C 0.829 176.761 175.900 0.053 0.000 1.747 3112 Y CA -0.639 57.524 58.100 0.105 0.000 0.937 3112 Y CB 0.979 39.493 38.460 0.089 0.000 1.377 3112 Y HN -0.085 nan 8.280 nan 0.000 0.662 3113 T N 4.145 118.463 114.554 -0.393 0.000 2.930 3113 T HA 0.196 4.533 4.350 -0.022 0.000 0.306 3113 T C -1.935 172.700 174.700 -0.107 0.000 1.045 3113 T CA -1.151 60.759 62.100 -0.317 0.000 1.134 3113 T CB 0.684 69.292 68.868 -0.434 0.000 0.961 3113 T HN 0.464 nan 8.240 nan 0.000 0.545 3114 P HA 0.114 nan 4.420 nan 0.000 0.245 3114 P C 1.304 178.538 177.300 -0.111 0.000 1.199 3114 P CA 0.261 63.282 63.100 -0.132 0.000 0.807 3114 P CB 0.204 31.830 31.700 -0.122 0.000 1.002 3115 T N 0.667 115.179 114.554 -0.070 0.000 2.737 3115 T HA -0.123 4.213 4.350 -0.022 0.000 0.269 3115 T C 1.838 176.424 174.700 -0.190 0.000 1.040 3115 T CA 1.228 63.274 62.100 -0.089 0.000 1.142 3115 T CB -1.047 67.815 68.868 -0.011 0.000 0.861 3115 T HN -0.089 nan 8.240 nan 0.000 0.456 3116 V N 1.335 121.163 119.914 -0.144 0.000 2.720 3116 V HA -0.077 4.029 4.120 -0.022 0.000 0.256 3116 V C 2.426 178.403 176.094 -0.195 0.000 1.082 3116 V CA 2.041 64.230 62.300 -0.184 0.000 1.101 3116 V CB -0.943 30.877 31.823 -0.006 0.000 0.693 3116 V HN 0.599 nan 8.190 nan 0.000 0.479 3117 G N -0.558 108.141 108.800 -0.169 0.000 2.394 3117 G HA2 -0.205 3.742 3.960 -0.022 0.000 0.215 3117 G HA3 -0.205 3.742 3.960 -0.022 0.000 0.215 3117 G C 1.452 176.275 174.900 -0.129 0.000 1.165 3117 G CA 0.908 45.924 45.100 -0.140 0.000 0.784 3117 G HN 0.479 nan 8.290 nan 0.000 0.535 3118 L N 1.482 122.619 121.223 -0.142 0.000 2.046 3118 L HA 0.132 4.459 4.340 -0.022 0.000 0.208 3118 L C 3.057 179.836 176.870 -0.153 0.000 1.077 3118 L CA 2.110 56.874 54.840 -0.126 0.000 0.747 3118 L CB -0.696 41.292 42.059 -0.118 0.000 0.896 3118 L HN 0.233 nan 8.230 nan 0.000 0.432 3119 A N -1.647 121.015 122.820 -0.263 0.000 1.933 3119 A HA -0.233 4.073 4.320 -0.022 0.000 0.218 3119 A C 2.405 179.969 177.584 -0.033 0.000 1.175 3119 A CA 1.765 53.647 52.037 -0.258 0.000 0.628 3119 A CB -1.435 17.115 19.000 -0.750 0.000 0.814 3119 A HN 0.619 nan 8.150 nan 0.000 0.444 3120 C N -0.025 119.218 119.300 -0.094 0.000 2.429 3120 C HA -0.084 4.362 4.460 -0.022 0.000 0.277 3120 C C 3.350 178.334 174.990 -0.010 0.000 1.262 3120 C CA 1.462 60.417 59.018 -0.105 0.000 1.733 3120 C CB -1.135 26.522 27.740 -0.137 0.000 2.010 3120 C HN 0.801 nan 8.230 nan 0.000 0.483 3121 S N -0.155 115.547 115.700 0.003 0.000 2.474 3121 S HA -0.104 4.353 4.470 -0.022 0.000 0.235 3121 S C 1.427 176.039 174.600 0.020 0.000 0.997 3121 S CA 1.089 59.337 58.200 0.080 0.000 0.949 3121 S CB -0.332 62.888 63.200 0.033 0.000 0.766 3121 S HN 0.708 nan 8.310 nan 0.000 0.517 3122 Q N -1.025 118.723 119.800 -0.088 0.000 2.194 3122 Q HA 0.241 4.568 4.340 -0.022 0.000 0.214 3122 Q C 0.493 176.406 176.000 -0.145 0.000 0.838 3122 Q CA -0.258 55.474 55.803 -0.118 0.000 0.972 3122 Q CB -0.208 28.459 28.738 -0.118 0.000 1.131 3122 Q HN 0.562 nan 8.270 nan 0.000 0.498 3123 Y N 1.874 121.867 120.300 -0.511 0.000 2.096 3123 Y HA -0.292 4.245 4.550 -0.022 0.000 0.276 3123 Y C 2.306 178.023 175.900 -0.304 0.000 1.209 3123 Y CA 2.244 60.092 58.100 -0.420 0.000 1.137 3123 Y CB -0.511 37.694 38.460 -0.424 0.000 0.956 3123 Y HN 0.245 nan 8.280 nan 0.000 0.506 3124 G N -2.849 105.664 108.800 -0.478 0.000 2.471 3124 G HA2 -0.222 3.724 3.960 -0.022 0.000 0.219 3124 G HA3 -0.222 3.724 3.960 -0.022 0.000 0.219 3124 G C 1.102 175.951 174.900 -0.085 0.000 1.125 3124 G CA 0.922 46.018 45.100 -0.007 0.000 0.775 3124 G HN 0.496 nan 8.290 nan 0.000 0.548 3125 H N -0.026 118.949 119.070 -0.158 0.000 2.482 3125 H HA 0.143 4.685 4.556 -0.022 0.000 0.286 3125 H C 2.341 177.554 175.328 -0.192 0.000 1.017 3125 H CA 1.098 57.001 56.048 -0.242 0.000 1.322 3125 H CB 0.086 29.774 29.762 -0.125 0.000 1.426 3125 H HN 0.533 nan 8.280 nan 0.000 0.546 3126 I N -2.980 117.584 120.570 -0.010 0.000 4.018 3126 I HA 0.163 4.320 4.170 -0.022 0.000 0.337 3126 I C 0.009 176.077 176.117 -0.082 0.000 1.327 3126 I CA -0.391 60.889 61.300 -0.035 0.000 1.100 3126 I CB -0.124 37.880 38.000 0.005 0.000 1.025 3126 I HN -0.113 nan 8.210 nan 0.000 0.396 3127 F N 3.290 123.097 119.950 -0.238 0.000 2.623 3127 F HA 0.126 4.639 4.527 -0.023 0.000 0.383 3127 F C 1.127 176.826 175.800 -0.168 0.000 1.077 3127 F CA 0.710 58.557 58.000 -0.254 0.000 1.268 3127 F CB 0.523 39.384 39.000 -0.231 0.000 1.053 3127 F HN 0.037 nan 8.300 nan 0.000 0.571 3128 R N 3.309 123.197 120.500 -1.019 0.000 2.756 3128 R HA 0.318 4.645 4.340 -0.022 0.000 0.170 3128 R C -0.234 175.467 176.300 -0.998 0.000 0.800 3128 R CA -0.468 55.213 56.100 -0.699 0.000 1.052 3128 R CB 0.528 30.601 30.300 -0.378 0.000 1.437 3128 R HN 0.494 nan 8.270 nan 0.000 0.607 3129 R N 1.375 121.248 120.500 -1.045 0.000 2.744 3129 R HA 0.401 4.728 4.340 -0.022 0.000 0.279 3129 R C -2.671 173.314 176.300 -0.525 0.000 0.977 3129 R CA -1.812 53.893 56.100 -0.659 0.000 0.906 3129 R CB 2.433 32.549 30.300 -0.307 0.000 1.197 3129 R HN 0.021 nan 8.270 nan 0.000 0.463 3130 P HA 0.257 nan 4.420 nan 0.000 0.279 3130 P C -1.407 176.045 177.300 0.254 0.000 1.252 3130 P CA -0.477 62.831 63.100 0.347 0.000 0.811 3130 P CB 1.175 33.131 31.700 0.425 0.000 1.035 3131 K N 0.563 121.183 120.400 0.365 0.000 2.501 3131 K HA 0.640 4.947 4.320 -0.022 0.000 0.252 3131 K C -0.245 176.488 176.600 0.221 0.000 0.934 3131 K CA -0.652 55.783 56.287 0.248 0.000 0.797 3131 K CB 2.131 34.716 32.500 0.141 0.000 1.270 3131 K HN 0.911 nan 8.250 nan 0.000 0.431 3132 G N 1.362 110.308 108.800 0.242 0.000 2.757 3132 G HA2 -0.189 3.758 3.960 -0.022 0.000 0.638 3132 G HA3 -0.189 3.758 3.960 -0.022 0.000 0.638 3132 G C -1.360 173.488 174.900 -0.088 0.000 1.344 3132 G CA -1.011 44.028 45.100 -0.101 0.000 0.855 3132 G HN 0.439 nan 8.290 nan 0.000 0.537 3133 L N -0.248 120.726 121.223 -0.415 0.000 2.309 3133 L HA 0.751 5.077 4.340 -0.022 0.000 0.282 3133 L C -0.556 176.091 176.870 -0.372 0.000 1.036 3133 L CA -0.767 53.950 54.840 -0.204 0.000 0.806 3133 L CB 1.045 42.931 42.059 -0.288 0.000 1.220 3133 L HN 0.456 nan 8.230 nan 0.000 0.429 3134 F N 4.883 124.816 119.950 -0.028 0.000 2.449 3134 F HA 0.495 5.009 4.527 -0.022 0.000 0.342 3134 F C 0.070 175.831 175.800 -0.066 0.000 1.127 3134 F CA -0.457 57.506 58.000 -0.062 0.000 0.975 3134 F CB 1.359 40.338 39.000 -0.034 0.000 1.146 3134 F HN 0.160 nan 8.300 nan 0.000 0.444 3135 I N 3.122 123.703 120.570 0.018 0.000 2.410 3135 I HA 0.389 4.545 4.170 -0.022 0.000 0.286 3135 I C -0.296 175.817 176.117 -0.006 0.000 1.009 3135 I CA -0.480 60.815 61.300 -0.007 0.000 1.111 3135 I CB 1.755 39.697 38.000 -0.096 0.000 1.262 3135 I HN 0.604 nan 8.210 nan 0.000 0.443 3136 S N 4.934 120.651 115.700 0.029 0.000 2.621 3136 S HA 0.438 4.894 4.470 -0.022 0.000 0.302 3136 S C 0.756 175.384 174.600 0.045 0.000 1.093 3136 S CA -0.714 57.504 58.200 0.030 0.000 1.017 3136 S CB 2.083 65.298 63.200 0.026 0.000 1.077 3136 S HN 0.580 nan 8.310 nan 0.000 0.517 3137 I N 2.042 122.647 120.570 0.059 0.000 2.335 3137 I HA -0.127 4.029 4.170 -0.022 0.000 0.251 3137 I C 2.166 178.327 176.117 0.074 0.000 1.129 3137 I CA 1.591 62.937 61.300 0.076 0.000 1.402 3137 I CB -0.771 37.286 38.000 0.095 0.000 1.069 3137 I HN 0.775 nan 8.210 nan 0.000 0.424 3138 S N 0.230 115.969 115.700 0.065 0.000 2.500 3138 S HA -0.120 4.337 4.470 -0.022 0.000 0.239 3138 S C 1.257 175.913 174.600 0.092 0.000 0.989 3138 S CA 1.167 59.407 58.200 0.067 0.000 0.951 3138 S CB -0.427 62.800 63.200 0.046 0.000 0.759 3138 S HN 0.544 nan 8.310 nan 0.000 0.523 3139 D N 1.213 121.672 120.400 0.098 0.000 2.340 3139 D HA 0.037 4.663 4.640 -0.022 0.000 0.217 3139 D C 0.540 176.940 176.300 0.166 0.000 1.081 3139 D CA -0.035 54.053 54.000 0.146 0.000 0.842 3139 D CB 0.086 40.950 40.800 0.107 0.000 0.934 3139 D HN 0.480 nan 8.370 nan 0.000 0.511 3140 R N 0.110 120.678 120.500 0.113 0.000 2.537 3140 R HA 0.241 4.568 4.340 -0.022 0.000 0.281 3140 R C 1.114 177.401 176.300 -0.021 0.000 0.988 3140 R CA 0.971 57.104 56.100 0.055 0.000 1.077 3140 R CB -0.010 30.321 30.300 0.052 0.000 0.932 3140 R HN -0.029 nan 8.270 nan 0.000 0.409 3141 G N 1.793 110.528 108.800 -0.109 0.000 2.175 3141 G HA2 -0.261 3.685 3.960 -0.022 0.000 0.244 3141 G HA3 -0.261 3.685 3.960 -0.022 0.000 0.244 3141 G C 0.344 174.907 174.900 -0.562 0.000 0.982 3141 G CA 0.284 45.194 45.100 -0.317 0.000 0.641 3141 G HN 0.797 nan 8.290 nan 0.000 0.527 3142 H N -0.934 118.151 119.070 0.025 0.000 3.230 3142 H HA 0.302 4.845 4.556 -0.022 0.000 0.259 3142 H C 2.134 177.479 175.328 0.028 0.000 1.195 3142 H CA 0.467 56.529 56.048 0.024 0.000 1.112 3142 H CB 0.343 30.119 29.762 0.024 0.000 1.638 3142 H HN 0.237 nan 8.280 nan 0.000 0.624 3143 V N 1.247 121.216 119.914 0.091 0.000 2.453 3143 V HA -0.307 3.799 4.120 -0.022 0.000 0.252 3143 V C 2.783 178.918 176.094 0.069 0.000 1.068 3143 V CA 2.053 64.403 62.300 0.083 0.000 1.070 3143 V CB -0.358 31.508 31.823 0.071 0.000 0.664 3143 V HN 0.193 nan 8.190 nan 0.000 0.461 3144 R N 1.611 122.137 120.500 0.043 0.000 2.073 3144 R HA -0.133 4.194 4.340 -0.022 0.000 0.234 3144 R C 2.589 178.912 176.300 0.039 0.000 1.134 3144 R CA 2.062 58.174 56.100 0.020 0.000 0.952 3144 R CB -1.038 29.261 30.300 -0.002 0.000 0.850 3144 R HN 0.673 nan 8.270 nan 0.000 0.433 3145 S N -0.527 115.213 115.700 0.066 0.000 2.442 3145 S HA -0.093 4.364 4.470 -0.022 0.000 0.236 3145 S C 2.088 176.735 174.600 0.077 0.000 1.007 3145 S CA 1.209 59.450 58.200 0.068 0.000 0.965 3145 S CB -0.454 62.795 63.200 0.082 0.000 0.773 3145 S HN 0.370 nan 8.310 nan 0.000 0.504 3146 I N 0.969 121.593 120.570 0.092 0.000 2.333 3146 I HA -0.068 4.089 4.170 -0.022 0.000 0.246 3146 I C 2.292 178.486 176.117 0.128 0.000 1.106 3146 I CA 0.775 62.141 61.300 0.109 0.000 1.411 3146 I CB -0.243 37.822 38.000 0.109 0.000 1.082 3146 I HN 0.206 nan 8.210 nan 0.000 0.420 3147 V N 0.737 120.710 119.914 0.099 0.000 2.594 3147 V HA -0.266 3.840 4.120 -0.022 0.000 0.253 3147 V C 1.679 177.835 176.094 0.104 0.000 1.069 3147 V CA 1.683 64.043 62.300 0.099 0.000 1.082 3147 V CB -0.700 31.137 31.823 0.023 0.000 0.680 3147 V HN 0.423 nan 8.190 nan 0.000 0.469 3148 D N -0.064 120.375 120.400 0.065 0.000 2.347 3148 D HA -0.065 4.562 4.640 -0.022 0.000 0.215 3148 D C 1.678 178.041 176.300 0.104 0.000 0.976 3148 D CA 0.468 54.498 54.000 0.051 0.000 0.884 3148 D CB -0.182 40.629 40.800 0.020 0.000 0.915 3148 D HN 0.397 nan 8.370 nan 0.000 0.526 3149 N N 0.005 118.791 118.700 0.143 0.000 2.457 3149 N HA -0.086 4.641 4.740 -0.022 0.000 0.180 3149 N C 0.364 175.994 175.510 0.200 0.000 1.050 3149 N CA 0.034 53.169 53.050 0.142 0.000 0.906 3149 N CB 0.097 38.664 38.487 0.134 0.000 0.968 3149 N HN 0.370 nan 8.380 nan 0.000 0.445 3150 W N 2.989 124.334 121.300 0.076 0.000 2.381 3150 W HA 0.056 4.703 4.660 -0.022 0.000 0.321 3150 W C -1.637 174.940 176.519 0.097 0.000 1.407 3150 W CA -1.332 56.071 57.345 0.096 0.000 1.274 3150 W CB 0.934 30.481 29.460 0.146 0.000 1.310 3150 W HN 0.085 nan 8.180 nan 0.000 0.551 3151 P HA -0.208 nan 4.420 nan 0.000 0.215 3151 P C -0.001 177.206 177.300 -0.155 0.000 1.157 3151 P CA 1.696 64.611 63.100 -0.308 0.000 0.874 3151 P CB 0.136 31.568 31.700 -0.447 0.000 0.790 3152 E N 0.406 120.484 120.200 -0.203 0.000 2.338 3152 E HA 0.029 4.365 4.350 -0.022 0.000 0.272 3152 E C 0.571 177.379 176.600 0.347 0.000 1.029 3152 E CA 0.151 56.609 56.400 0.097 0.000 0.872 3152 E CB 0.010 29.802 29.700 0.153 0.000 1.015 3152 E HN 0.462 nan 8.360 nan 0.000 0.417 3153 N N 1.725 120.608 118.700 0.305 0.000 2.214 3153 N HA -0.039 4.687 4.740 -0.022 0.000 0.214 3153 N C 0.066 175.882 175.510 0.511 0.000 1.132 3153 N CA -0.115 53.195 53.050 0.433 0.000 0.856 3153 N CB 0.301 38.929 38.487 0.235 0.000 1.020 3153 N HN 0.311 nan 8.380 nan 0.000 0.509 3154 H N 0.813 120.020 119.070 0.228 0.000 2.616 3154 H HA 0.315 4.857 4.556 -0.023 0.000 0.229 3154 H C -1.056 174.230 175.328 -0.071 0.000 1.418 3154 H CA -0.392 55.733 56.048 0.127 0.000 1.248 3154 H CB -0.121 29.694 29.762 0.087 0.000 1.822 3154 H HN -0.157 nan 8.280 nan 0.000 0.522 3155 V N 2.635 122.200 119.914 -0.581 0.000 2.655 3155 V HA 0.059 4.166 4.120 -0.022 0.000 0.300 3155 V C 0.966 176.730 176.094 -0.550 0.000 1.044 3155 V CA 0.401 62.240 62.300 -0.768 0.000 1.095 3155 V CB 1.238 32.159 31.823 -1.504 0.000 0.952 3155 V HN 0.598 nan 8.190 nan 0.000 0.485 3156 K N 2.706 122.884 120.400 -0.369 0.000 2.450 3156 K HA 0.456 4.763 4.320 -0.022 0.000 0.206 3156 K C 0.087 176.614 176.600 -0.121 0.000 1.148 3156 K CA 0.412 56.557 56.287 -0.235 0.000 1.014 3156 K CB 1.655 34.048 32.500 -0.178 0.000 0.966 3156 K HN 0.694 nan 8.250 nan 0.000 0.566 3157 A N 1.175 123.907 122.820 -0.147 0.000 2.465 3157 A HA 0.584 4.891 4.320 -0.022 0.000 0.292 3157 A C -0.975 176.482 177.584 -0.212 0.000 1.041 3157 A CA -0.524 51.473 52.037 -0.066 0.000 0.718 3157 A CB 1.487 20.571 19.000 0.140 0.000 1.266 3157 A HN -0.108 nan 8.150 nan 0.000 0.403 3158 V N 1.593 121.392 119.914 -0.192 0.000 2.815 3158 V HA 0.748 4.855 4.120 -0.022 0.000 0.314 3158 V C -0.581 175.357 176.094 -0.259 0.000 1.064 3158 V CA -0.589 61.556 62.300 -0.259 0.000 0.952 3158 V CB 2.108 33.803 31.823 -0.212 0.000 1.020 3158 V HN 0.770 nan 8.190 nan 0.000 0.439 3159 V N 3.508 123.233 119.914 -0.314 0.000 2.532 3159 V HA 0.464 4.571 4.120 -0.022 0.000 0.294 3159 V C -0.593 175.316 176.094 -0.309 0.000 1.036 3159 V CA -0.475 61.635 62.300 -0.317 0.000 0.876 3159 V CB 1.814 33.417 31.823 -0.366 0.000 1.012 3159 V HN 0.611 nan 8.190 nan 0.000 0.432 3160 V N 4.602 124.326 119.914 -0.317 0.000 2.715 3160 V HA 0.919 5.025 4.120 -0.022 0.000 0.310 3160 V C -0.239 175.757 176.094 -0.163 0.000 1.054 3160 V CA 0.205 62.306 62.300 -0.331 0.000 0.928 3160 V CB 2.444 33.997 31.823 -0.450 0.000 1.007 3160 V HN 0.979 nan 8.190 nan 0.000 0.437 3161 T N 2.292 116.689 114.554 -0.261 0.000 2.868 3161 T HA 0.432 4.768 4.350 -0.022 0.000 0.306 3161 T C -0.646 173.657 174.700 -0.661 0.000 1.224 3161 T CA 0.139 61.989 62.100 -0.418 0.000 1.012 3161 T CB 1.756 70.438 68.868 -0.310 0.000 1.221 3161 T HN 0.918 nan 8.240 nan 0.000 0.499 3162 D N 0.306 120.108 120.400 -0.997 0.000 2.469 3162 D HA 0.250 4.877 4.640 -0.022 0.000 0.213 3162 D C 1.367 177.456 176.300 -0.351 0.000 1.135 3162 D CA 0.652 54.296 54.000 -0.594 0.000 0.834 3162 D CB -0.215 40.265 40.800 -0.533 0.000 1.009 3162 D HN 1.139 nan 8.370 nan 0.000 0.507 3163 G N 1.354 109.949 108.800 -0.343 0.000 2.153 3163 G HA2 -0.405 3.542 3.960 -0.022 0.000 0.252 3163 G HA3 -0.405 3.542 3.960 -0.022 0.000 0.252 3163 G C 0.720 175.531 174.900 -0.148 0.000 0.994 3163 G CA 0.699 45.682 45.100 -0.194 0.000 0.698 3163 G HN 0.506 nan 8.290 nan 0.000 0.521 3164 E N -0.468 119.630 120.200 -0.171 0.000 2.230 3164 E HA 0.095 4.432 4.350 -0.022 0.000 0.192 3164 E C 1.702 178.262 176.600 -0.066 0.000 0.987 3164 E CA 0.407 56.745 56.400 -0.102 0.000 0.841 3164 E CB 0.069 29.719 29.700 -0.084 0.000 0.783 3164 E HN 0.311 nan 8.360 nan 0.000 0.481 3165 R N 1.353 121.816 120.500 -0.062 0.000 2.674 3165 R HA 0.183 4.509 4.340 -0.022 0.000 0.270 3165 R C -1.022 175.250 176.300 -0.048 0.000 1.492 3165 R CA -0.445 55.633 56.100 -0.036 0.000 1.624 3165 R CB 0.171 30.469 30.300 -0.004 0.000 1.307 3165 R HN 0.121 nan 8.270 nan 0.000 0.683 3166 I N 4.648 125.181 120.570 -0.061 0.000 2.494 3166 I HA 0.001 4.157 4.170 -0.022 0.000 0.289 3166 I C 1.652 177.730 176.117 -0.064 0.000 1.106 3166 I CA 0.498 61.756 61.300 -0.070 0.000 1.369 3166 I CB -0.348 37.608 38.000 -0.073 0.000 1.410 3166 I HN 0.569 nan 8.210 nan 0.000 0.523 3167 L N 5.197 126.379 121.223 -0.069 0.000 6.328 3167 L HA -0.319 4.007 4.340 -0.022 0.000 0.053 3167 L C 1.452 178.289 176.870 -0.055 0.000 2.032 3167 L CA 1.474 56.270 54.840 -0.073 0.000 1.701 3167 L CB -1.415 40.587 42.059 -0.096 0.000 2.706 3167 L HN 0.736 nan 8.230 nan 0.000 1.012 3168 G N -0.677 108.090 108.800 -0.055 0.000 3.502 3168 G HA2 0.382 4.329 3.960 -0.022 0.000 0.267 3168 G HA3 0.382 4.329 3.960 -0.022 0.000 0.267 3168 G C 0.739 175.615 174.900 -0.041 0.000 1.090 3168 G CA -0.213 44.861 45.100 -0.044 0.000 0.795 3168 G HN 0.225 nan 8.290 nan 0.000 0.535 3169 L N 0.608 121.805 121.223 -0.043 0.000 2.591 3169 L HA 0.267 4.594 4.340 -0.022 0.000 0.228 3169 L C 1.688 178.540 176.870 -0.031 0.000 1.133 3169 L CA 0.988 55.806 54.840 -0.035 0.000 0.880 3169 L CB -1.647 40.391 42.059 -0.035 0.000 1.033 3169 L HN 0.372 nan 8.230 nan 0.000 0.450 3170 G N 0.550 109.330 108.800 -0.034 0.000 2.542 3170 G HA2 -0.273 3.674 3.960 -0.022 0.000 0.235 3170 G HA3 -0.273 3.674 3.960 -0.022 0.000 0.235 3170 G C -0.219 174.657 174.900 -0.041 0.000 1.286 3170 G CA -0.107 44.973 45.100 -0.035 0.000 0.904 3170 G HN 0.250 nan 8.290 nan 0.000 0.577 3171 D N 1.017 121.389 120.400 -0.047 0.000 2.348 3171 D HA 0.345 4.972 4.640 -0.022 0.000 0.259 3171 D C 1.387 177.652 176.300 -0.058 0.000 1.296 3171 D CA 0.023 53.987 54.000 -0.060 0.000 0.931 3171 D CB 0.089 40.848 40.800 -0.069 0.000 1.067 3171 D HN 0.400 nan 8.370 nan 0.000 0.503 3172 L N 3.195 124.394 121.223 -0.040 0.000 2.808 3172 L HA 0.261 4.588 4.340 -0.022 0.000 0.246 3172 L C 1.685 178.566 176.870 0.019 0.000 1.153 3172 L CA -0.071 54.772 54.840 0.005 0.000 0.956 3172 L CB -0.126 41.972 42.059 0.065 0.000 1.270 3172 L HN 0.626 nan 8.230 nan 0.000 0.528 3173 G N 0.769 109.557 108.800 -0.020 0.000 2.614 3173 G HA2 -0.365 3.582 3.960 -0.022 0.000 0.303 3173 G HA3 -0.365 3.582 3.960 -0.022 0.000 0.303 3173 G C 0.794 175.743 174.900 0.082 0.000 1.270 3173 G CA 0.258 45.383 45.100 0.042 0.000 0.988 3173 G HN -0.073 nan 8.290 nan 0.000 0.551 3174 V N 0.673 120.671 119.914 0.141 0.000 3.026 3174 V HA -0.096 4.010 4.120 -0.022 0.000 0.265 3174 V C 2.192 178.423 176.094 0.228 0.000 1.121 3174 V CA 2.351 64.709 62.300 0.096 0.000 1.142 3174 V CB -0.828 30.960 31.823 -0.058 0.000 0.730 3174 V HN 0.543 nan 8.190 nan 0.000 0.503 3175 Y N 0.578 120.945 120.300 0.111 0.000 2.571 3175 Y HA 0.060 4.596 4.550 -0.023 0.000 0.294 3175 Y C 1.911 177.642 175.900 -0.282 0.000 1.141 3175 Y CA -0.260 57.858 58.100 0.030 0.000 1.308 3175 Y CB 0.014 38.568 38.460 0.157 0.000 1.002 3175 Y HN 0.443 nan 8.280 nan 0.000 0.551 3179 I N 2.019 122.507 120.570 -0.138 0.000 2.163 3179 I HA 0.012 4.169 4.170 -0.022 0.000 0.240 3179 I C -0.203 175.881 176.117 -0.056 0.000 1.081 3179 I CA 1.107 62.363 61.300 -0.073 0.000 1.353 3179 I CB -1.801 36.134 38.000 -0.107 0.000 1.054 3179 I HN 0.018 nan 8.210 nan 0.000 0.407 3180 P HA -0.088 nan 4.420 nan 0.000 0.216 3180 P C 2.280 179.508 177.300 -0.121 0.000 1.150 3180 P CA 1.018 64.018 63.100 -0.165 0.000 0.837 3180 P CB 0.094 31.653 31.700 -0.235 0.000 0.786 3181 V N -0.174 119.704 119.914 -0.061 0.000 2.343 3181 V HA -0.171 3.936 4.120 -0.022 0.000 0.247 3181 V C 2.509 178.653 176.094 0.083 0.000 1.051 3181 V CA 2.540 64.845 62.300 0.007 0.000 1.036 3181 V CB -1.718 30.152 31.823 0.079 0.000 0.654 3181 V HN 0.183 nan 8.190 nan 0.000 0.451 3182 G N -0.451 108.433 108.800 0.139 0.000 2.402 3182 G HA2 -0.196 3.751 3.960 -0.022 0.000 0.216 3182 G HA3 -0.196 3.751 3.960 -0.022 0.000 0.216 3182 G C 1.645 176.684 174.900 0.232 0.000 1.162 3182 G CA 0.467 45.716 45.100 0.248 0.000 0.777 3182 G HN 0.358 nan 8.290 nan 0.000 0.539 3183 K N 0.331 120.820 120.400 0.150 0.000 2.057 3183 K HA 0.056 4.363 4.320 -0.022 0.000 0.207 3183 K C 2.468 179.131 176.600 0.105 0.000 1.049 3183 K CA 0.609 56.953 56.287 0.094 0.000 0.931 3183 K CB -0.564 31.824 32.500 -0.186 0.000 0.714 3183 K HN 0.351 nan 8.250 nan 0.000 0.440 3184 L N 0.232 121.414 121.223 -0.069 0.000 2.217 3184 L HA -0.142 4.184 4.340 -0.022 0.000 0.211 3184 L C 2.558 179.494 176.870 0.110 0.000 1.107 3184 L CA 0.450 55.196 54.840 -0.156 0.000 0.783 3184 L CB -0.413 41.494 42.059 -0.253 0.000 0.919 3184 L HN 0.140 nan 8.230 nan 0.000 0.442 3185 C N -0.054 119.369 119.300 0.205 0.000 2.425 3185 C HA -0.136 4.311 4.460 -0.022 0.000 0.277 3185 C C 2.681 177.838 174.990 0.278 0.000 1.280 3185 C CA 0.579 59.810 59.018 0.355 0.000 1.744 3185 C CB -0.714 27.236 27.740 0.351 0.000 1.989 3185 C HN 0.448 nan 8.230 nan 0.000 0.491 3186 L N -1.299 120.058 121.223 0.223 0.000 2.156 3186 L HA -0.104 4.223 4.340 -0.022 0.000 0.208 3186 L C 2.448 179.435 176.870 0.196 0.000 1.095 3186 L CA 1.250 56.172 54.840 0.136 0.000 0.770 3186 L CB -0.742 41.348 42.059 0.051 0.000 0.914 3186 L HN 0.265 nan 8.230 nan 0.000 0.439 3187 Y N 0.788 121.163 120.300 0.125 0.000 2.151 3187 Y HA -0.298 4.239 4.550 -0.021 0.000 0.284 3187 Y C 2.798 178.665 175.900 -0.054 0.000 1.166 3187 Y CA 1.941 60.087 58.100 0.077 0.000 1.163 3187 Y CB -0.781 37.717 38.460 0.063 0.000 0.974 3187 Y HN 0.141 nan 8.280 nan 0.000 0.511 3188 T N -0.953 113.625 114.554 0.040 0.000 2.866 3188 T HA 0.011 4.348 4.350 -0.022 0.000 0.250 3188 T C 2.191 176.773 174.700 -0.195 0.000 1.033 3188 T CA 1.008 62.964 62.100 -0.240 0.000 1.145 3188 T CB -0.624 67.791 68.868 -0.756 0.000 0.866 3188 T HN 0.327 nan 8.240 nan 0.000 0.434 3189 A N 0.410 123.173 122.820 -0.095 0.000 1.978 3189 A HA -0.115 4.191 4.320 -0.022 0.000 0.220 3189 A C 2.539 180.096 177.584 -0.044 0.000 1.170 3189 A CA 1.552 53.588 52.037 -0.000 0.000 0.636 3189 A CB -1.154 17.882 19.000 0.061 0.000 0.810 3189 A HN 0.630 nan 8.150 nan 0.000 0.448 3190 C N -2.162 117.096 119.300 -0.071 0.000 2.611 3190 C HA 0.428 4.875 4.460 -0.022 0.000 0.283 3190 C C 3.030 177.961 174.990 -0.099 0.000 1.340 3190 C CA 0.589 59.538 59.018 -0.115 0.000 1.716 3190 C CB -0.784 26.837 27.740 -0.198 0.000 2.134 3190 C HN 0.671 nan 8.230 nan 0.000 0.526 3191 A N -0.493 122.270 122.820 -0.096 0.000 2.267 3191 A HA 0.466 4.772 4.320 -0.022 0.000 0.213 3191 A C 1.600 179.159 177.584 -0.042 0.000 1.192 3191 A CA 1.119 53.105 52.037 -0.085 0.000 0.851 3191 A CB -0.680 18.243 19.000 -0.128 0.000 0.881 3191 A HN 1.324 nan 8.150 nan 0.000 0.494 3192 G N -0.287 108.502 108.800 -0.019 0.000 2.160 3192 G HA2 -0.218 3.729 3.960 -0.022 0.000 0.244 3192 G HA3 -0.218 3.729 3.960 -0.022 0.000 0.244 3192 G C 0.048 174.981 174.900 0.055 0.000 1.022 3192 G CA 0.265 45.394 45.100 0.049 0.000 0.741 3192 G HN 0.464 nan 8.290 nan 0.000 0.508 3193 I N 0.551 121.114 120.570 -0.011 0.000 2.529 3193 I HA 0.195 4.352 4.170 -0.022 0.000 0.284 3193 I C 1.376 177.401 176.117 -0.152 0.000 1.082 3193 I CA -0.618 60.674 61.300 -0.015 0.000 1.406 3193 I CB 0.585 38.628 38.000 0.072 0.000 1.405 3193 I HN 0.086 nan 8.210 nan 0.000 0.548 3194 R N 7.195 127.598 120.500 -0.161 0.000 2.480 3194 R HA 0.006 4.333 4.340 -0.022 0.000 0.303 3194 R C -1.621 174.409 176.300 -0.449 0.000 0.985 3194 R CA -1.005 54.848 56.100 -0.412 0.000 1.051 3194 R CB -0.005 30.198 30.300 -0.162 0.000 0.935 3194 R HN 0.400 nan 8.270 nan 0.000 0.410 3195 P HA -0.229 nan 4.420 nan 0.000 0.215 3195 P C 0.533 177.718 177.300 -0.193 0.000 1.157 3195 P CA 1.344 64.194 63.100 -0.417 0.000 0.874 3195 P CB 0.101 31.525 31.700 -0.459 0.000 0.790 3196 D N -0.875 119.421 120.400 -0.174 0.000 2.392 3196 D HA -0.152 4.474 4.640 -0.022 0.000 0.228 3196 D C 1.131 177.427 176.300 -0.008 0.000 1.003 3196 D CA 0.739 54.716 54.000 -0.039 0.000 0.917 3196 D CB -0.480 40.316 40.800 -0.006 0.000 0.890 3196 D HN 0.271 nan 8.370 nan 0.000 0.532 3197 R N -0.703 119.753 120.500 -0.073 0.000 2.543 3197 R HA 0.265 4.591 4.340 -0.022 0.000 0.323 3197 R C -0.300 175.905 176.300 -0.159 0.000 1.002 3197 R CA -0.309 55.727 56.100 -0.108 0.000 1.106 3197 R CB 0.664 30.904 30.300 -0.101 0.000 1.280 3197 R HN 0.067 nan 8.270 nan 0.000 0.549 3198 C N 1.569 120.790 119.300 -0.133 0.000 2.355 3198 C HA 0.549 4.996 4.460 -0.022 0.000 0.332 3198 C C -0.518 174.348 174.990 -0.207 0.000 1.255 3198 C CA -0.916 57.983 59.018 -0.199 0.000 1.792 3198 C CB 0.975 28.594 27.740 -0.200 0.000 2.300 3198 C HN 0.298 nan 8.230 nan 0.000 0.515 3199 L N 6.598 127.612 121.223 -0.348 0.000 2.406 3199 L HA 0.607 4.934 4.340 -0.022 0.000 0.270 3199 L C -2.836 173.742 176.870 -0.486 0.000 0.982 3199 L CA -1.770 52.760 54.840 -0.516 0.000 0.843 3199 L CB 1.548 43.163 42.059 -0.741 0.000 1.225 3199 L HN 0.382 nan 8.230 nan 0.000 0.412 3200 P HA 0.430 nan 4.420 nan 0.000 0.286 3200 P C -1.268 175.751 177.300 -0.469 0.000 1.269 3200 P CA -0.279 62.590 63.100 -0.385 0.000 0.787 3200 P CB 1.590 33.126 31.700 -0.272 0.000 0.920 3201 V N 3.115 122.768 119.914 -0.435 0.000 2.823 3201 V HA 0.492 4.598 4.120 -0.022 0.000 0.312 3201 V C -0.528 175.271 176.094 -0.491 0.000 1.072 3201 V CA -0.512 61.500 62.300 -0.481 0.000 0.937 3201 V CB 2.505 34.059 31.823 -0.448 0.000 1.013 3201 V HN 0.661 nan 8.190 nan 0.000 0.430 3202 C N 6.074 125.062 119.300 -0.520 0.000 2.381 3202 C HA 0.622 5.068 4.460 -0.022 0.000 0.328 3202 C C -0.713 174.078 174.990 -0.331 0.000 1.190 3202 C CA -0.526 58.242 59.018 -0.416 0.000 1.369 3202 C CB -0.053 27.450 27.740 -0.395 0.000 2.029 3202 C HN 0.701 nan 8.230 nan 0.000 0.448 3203 I N 5.289 125.658 120.570 -0.335 0.000 2.297 3203 I HA 0.268 4.424 4.170 -0.022 0.000 0.291 3203 I C 0.086 176.133 176.117 -0.117 0.000 1.033 3203 I CA 0.372 61.520 61.300 -0.253 0.000 1.253 3203 I CB 0.860 38.694 38.000 -0.277 0.000 1.396 3203 I HN 0.674 nan 8.210 nan 0.000 0.476 3204 D N 6.648 127.020 120.400 -0.047 0.000 2.412 3204 D HA 0.315 4.941 4.640 -0.022 0.000 0.224 3204 D C 0.561 176.884 176.300 0.038 0.000 1.093 3204 D CA -0.346 53.654 54.000 0.000 0.000 0.850 3204 D CB 1.246 42.052 40.800 0.010 0.000 1.046 3204 D HN 0.336 nan 8.370 nan 0.000 0.507 3205 V N 1.620 121.573 119.914 0.065 0.000 3.159 3205 V HA 0.721 4.828 4.120 -0.022 0.000 0.333 3205 V C 0.809 176.935 176.094 0.054 0.000 1.424 3205 V CA 0.259 62.619 62.300 0.099 0.000 1.125 3205 V CB -0.326 31.626 31.823 0.214 0.000 1.075 3205 V HN 0.725 nan 8.190 nan 0.000 0.482 3206 G N -0.140 108.682 108.800 0.036 0.000 2.525 3206 G HA2 0.277 4.224 3.960 -0.022 0.000 0.685 3206 G HA3 0.277 4.224 3.960 -0.022 0.000 0.685 3206 G C -0.489 174.406 174.900 -0.008 0.000 1.290 3206 G CA 0.033 45.146 45.100 0.023 0.000 0.915 3206 G HN 1.277 nan 8.290 nan 0.000 0.548 3207 T N -1.490 113.037 114.554 -0.046 0.000 2.894 3207 T HA 0.605 4.942 4.350 -0.022 0.000 0.309 3207 T C -0.431 174.204 174.700 -0.107 0.000 1.208 3207 T CA 0.331 62.373 62.100 -0.096 0.000 1.016 3207 T CB 1.832 70.595 68.868 -0.175 0.000 1.192 3207 T HN 0.405 nan 8.240 nan 0.000 0.491 3208 D N 1.456 121.795 120.400 -0.101 0.000 2.360 3208 D HA 0.112 4.739 4.640 -0.022 0.000 0.210 3208 D C 0.588 176.830 176.300 -0.096 0.000 1.047 3208 D CA 0.081 54.030 54.000 -0.084 0.000 0.854 3208 D CB 0.137 40.897 40.800 -0.066 0.000 0.936 3208 D HN 0.509 nan 8.370 nan 0.000 0.514 3209 N N 2.262 120.885 118.700 -0.129 0.000 2.412 3209 N HA -0.074 4.652 4.740 -0.022 0.000 0.279 3209 N C 1.183 176.608 175.510 -0.142 0.000 1.287 3209 N CA -0.075 52.898 53.050 -0.129 0.000 0.948 3209 N CB 0.377 38.771 38.487 -0.154 0.000 1.255 3209 N HN -0.069 nan 8.380 nan 0.000 0.485 3210 I N 3.182 123.696 120.570 -0.092 0.000 2.264 3210 I HA -0.260 3.897 4.170 -0.022 0.000 0.248 3210 I C 2.237 178.309 176.117 -0.075 0.000 1.111 3210 I CA 0.932 62.187 61.300 -0.075 0.000 1.382 3210 I CB -1.767 36.205 38.000 -0.047 0.000 1.060 3210 I HN 0.555 nan 8.210 nan 0.000 0.418 3211 A N 1.055 123.834 122.820 -0.068 0.000 1.908 3211 A HA -0.161 4.146 4.320 -0.022 0.000 0.218 3211 A C 2.406 179.948 177.584 -0.070 0.000 1.181 3211 A CA 1.372 53.384 52.037 -0.042 0.000 0.627 3211 A CB -0.837 18.155 19.000 -0.013 0.000 0.818 3211 A HN 0.426 nan 8.150 nan 0.000 0.445 3212 L N -0.762 120.352 121.223 -0.183 0.000 2.141 3212 L HA -0.090 4.237 4.340 -0.022 0.000 0.209 3212 L C 2.229 178.886 176.870 -0.355 0.000 1.094 3212 L CA 0.613 55.224 54.840 -0.380 0.000 0.763 3212 L CB -0.463 41.118 42.059 -0.797 0.000 0.908 3212 L HN 0.341 nan 8.230 nan 0.000 0.437 3213 L N 0.507 121.594 121.223 -0.227 0.000 2.456 3213 L HA -0.150 4.176 4.340 -0.022 0.000 0.224 3213 L C 1.800 178.730 176.870 0.100 0.000 1.148 3213 L CA 1.047 55.880 54.840 -0.011 0.000 0.825 3213 L CB -0.240 41.802 42.059 -0.028 0.000 0.937 3213 L HN 0.408 nan 8.230 nan 0.000 0.450 3214 K N -1.932 118.486 120.400 0.031 0.000 2.564 3214 K HA 0.169 4.475 4.320 -0.022 0.000 0.205 3214 K C -0.266 176.349 176.600 0.023 0.000 1.053 3214 K CA -0.363 55.925 56.287 0.002 0.000 1.072 3214 K CB 0.381 32.866 32.500 -0.026 0.000 0.822 3214 K HN -0.152 nan 8.250 nan 0.000 0.497 3215 D N 2.871 123.334 120.400 0.105 0.000 2.329 3215 D HA 0.150 4.777 4.640 -0.022 0.000 0.232 3215 D C -1.460 174.924 176.300 0.139 0.000 1.088 3215 D CA -2.399 51.671 54.000 0.117 0.000 0.835 3215 D CB 1.896 42.818 40.800 0.203 0.000 1.078 3215 D HN -0.014 nan 8.370 nan 0.000 0.495 3216 P HA -0.056 nan 4.420 nan 0.000 0.230 3216 P C 0.741 177.952 177.300 -0.150 0.000 1.158 3216 P CA 0.457 63.443 63.100 -0.190 0.000 0.769 3216 P CB 0.062 31.504 31.700 -0.431 0.000 0.807 3217 F N -2.109 117.917 119.950 0.126 0.000 2.727 3217 F HA 0.210 4.723 4.527 -0.022 0.000 0.302 3217 F C 1.572 177.501 175.800 0.215 0.000 1.097 3217 F CA -1.544 56.503 58.000 0.078 0.000 1.330 3217 F CB -1.227 37.715 39.000 -0.095 0.000 1.084 3217 F HN -0.129 nan 8.300 nan 0.000 0.578 3221 L N 0.460 121.577 121.223 -0.178 0.000 2.349 3221 L HA 0.470 4.796 4.340 -0.022 0.000 0.275 3221 L C -0.408 176.462 176.870 0.001 0.000 1.115 3221 L CA -0.530 54.271 54.840 -0.065 0.000 0.820 3221 L CB 0.550 42.611 42.059 0.004 0.000 1.135 3221 L HN 0.490 nan 8.230 nan 0.000 0.445 3222 Y N 4.396 124.758 120.300 0.104 0.000 2.636 3222 Y HA 0.300 4.837 4.550 -0.022 0.000 0.334 3222 Y C 0.331 176.248 175.900 0.028 0.000 1.286 3222 Y CA -0.188 57.959 58.100 0.078 0.000 1.688 3222 Y CB -0.221 38.268 38.460 0.048 0.000 1.662 3222 Y HN 0.561 nan 8.280 nan 0.000 0.465 3223 Q N 0.117 119.990 119.800 0.121 0.000 2.527 3223 Q HA 0.428 4.754 4.340 -0.022 0.000 0.280 3223 Q C -1.501 174.512 176.000 0.022 0.000 0.977 3223 Q CA -1.333 54.511 55.803 0.068 0.000 0.837 3223 Q CB 1.645 30.420 28.738 0.062 0.000 1.454 3223 Q HN 0.176 nan 8.270 nan 0.000 0.387 3224 K N 1.301 121.704 120.400 0.005 0.000 2.230 3224 K HA 0.255 4.562 4.320 -0.022 0.000 0.253 3224 K C -0.175 176.415 176.600 -0.017 0.000 1.008 3224 K CA -0.497 55.778 56.287 -0.020 0.000 0.910 3224 K CB 0.504 32.992 32.500 -0.020 0.000 0.994 3224 K HN 0.460 nan 8.250 nan 0.000 0.495 3225 R N 1.672 122.149 120.500 -0.038 0.000 2.583 3225 R HA -0.089 4.238 4.340 -0.022 0.000 0.274 3225 R C 0.126 176.405 176.300 -0.035 0.000 0.998 3225 R CA 0.232 56.304 56.100 -0.047 0.000 1.081 3225 R CB 0.151 30.395 30.300 -0.094 0.000 0.940 3225 R HN 0.536 nan 8.270 nan 0.000 0.413 3226 D N 2.591 122.986 120.400 -0.008 0.000 2.316 3226 D HA 0.055 4.681 4.640 -0.022 0.000 0.245 3226 D C -0.011 176.284 176.300 -0.007 0.000 1.171 3226 D CA -0.124 53.893 54.000 0.028 0.000 0.856 3226 D CB 0.734 41.588 40.800 0.089 0.000 1.090 3226 D HN 0.427 nan 8.370 nan 0.000 0.476 3227 R N 2.013 122.506 120.500 -0.011 0.000 2.586 3227 R HA 0.141 4.468 4.340 -0.022 0.000 0.336 3227 R C 0.609 176.954 176.300 0.075 0.000 1.060 3227 R CA -0.364 55.715 56.100 -0.034 0.000 1.079 3227 R CB 0.631 30.892 30.300 -0.064 0.000 1.317 3227 R HN 0.444 nan 8.270 nan 0.000 0.568 3228 T N -2.864 111.759 114.554 0.115 0.000 2.824 3228 T HA 0.008 4.344 4.350 -0.022 0.000 0.277 3228 T C 1.244 176.053 174.700 0.182 0.000 0.975 3228 T CA -0.714 61.460 62.100 0.123 0.000 0.966 3228 T CB 1.670 70.595 68.868 0.095 0.000 1.054 3228 T HN 0.087 nan 8.240 nan 0.000 0.533 3229 Q N -0.079 119.810 119.800 0.147 0.000 2.242 3229 Q HA -0.300 4.027 4.340 -0.022 0.000 0.211 3229 Q C 2.167 178.267 176.000 0.167 0.000 0.992 3229 Q CA 1.925 57.821 55.803 0.154 0.000 0.889 3229 Q CB -0.292 28.511 28.738 0.108 0.000 0.913 3229 Q HN 0.815 nan 8.270 nan 0.000 0.422 3230 Q N -0.902 118.990 119.800 0.153 0.000 2.197 3230 Q HA -0.236 4.090 4.340 -0.022 0.000 0.207 3230 Q C 1.767 177.876 176.000 0.182 0.000 0.984 3230 Q CA 1.784 57.672 55.803 0.141 0.000 0.869 3230 Q CB -0.240 28.573 28.738 0.125 0.000 0.906 3230 Q HN 0.539 nan 8.270 nan 0.000 0.426 3231 Y N 1.649 122.022 120.300 0.121 0.000 2.114 3231 Y HA -0.231 4.305 4.550 -0.022 0.000 0.284 3231 Y C 1.586 177.613 175.900 0.213 0.000 1.143 3231 Y CA 1.918 60.112 58.100 0.158 0.000 1.135 3231 Y CB -0.212 38.353 38.460 0.174 0.000 0.980 3231 Y HN 0.072 nan 8.280 nan 0.000 0.499 3232 D N 0.174 120.662 120.400 0.148 0.000 2.144 3232 D HA -0.164 4.463 4.640 -0.022 0.000 0.199 3232 D C 1.718 178.058 176.300 0.066 0.000 0.984 3232 D CA 1.586 55.659 54.000 0.121 0.000 0.834 3232 D CB -0.362 40.591 40.800 0.254 0.000 0.955 3232 D HN 0.471 nan 8.370 nan 0.000 0.465 3233 D N -0.037 120.410 120.400 0.078 0.000 2.178 3233 D HA -0.111 4.516 4.640 -0.022 0.000 0.202 3233 D C 2.118 178.435 176.300 0.029 0.000 0.974 3233 D CA 0.274 54.311 54.000 0.062 0.000 0.841 3233 D CB -0.054 40.785 40.800 0.065 0.000 0.953 3233 D HN 0.177 nan 8.370 nan 0.000 0.478 3234 L N 0.843 122.067 121.223 0.000 0.000 2.044 3234 L HA -0.091 4.235 4.340 -0.022 0.000 0.205 3234 L C 2.046 178.895 176.870 -0.035 0.000 1.075 3234 L CA 1.087 55.919 54.840 -0.014 0.000 0.747 3234 L CB -0.319 41.730 42.059 -0.016 0.000 0.903 3234 L HN -0.105 nan 8.230 nan 0.000 0.435 3235 I N -0.192 120.301 120.570 -0.129 0.000 2.226 3235 I HA -0.262 3.895 4.170 -0.022 0.000 0.245 3235 I C 2.186 178.283 176.117 -0.033 0.000 1.100 3235 I CA 1.231 62.455 61.300 -0.128 0.000 1.374 3235 I CB -1.413 36.341 38.000 -0.410 0.000 1.057 3235 I HN 0.312 nan 8.210 nan 0.000 0.413 3236 D N 0.630 121.039 120.400 0.015 0.000 2.092 3236 D HA -0.244 4.383 4.640 -0.022 0.000 0.193 3236 D C 2.094 178.384 176.300 -0.017 0.000 0.994 3236 D CA 1.395 55.426 54.000 0.052 0.000 0.828 3236 D CB -0.180 40.693 40.800 0.122 0.000 0.963 3236 D HN 0.446 nan 8.370 nan 0.000 0.450 3237 E N -0.731 119.473 120.200 0.007 0.000 2.160 3237 E HA -0.170 4.167 4.350 -0.022 0.000 0.195 3237 E C 0.910 177.502 176.600 -0.014 0.000 0.991 3237 E CA 0.160 56.559 56.400 -0.002 0.000 0.810 3237 E CB -0.067 29.640 29.700 0.012 0.000 0.742 3237 E HN 0.120 nan 8.360 nan 0.000 0.466 3241 A N 2.089 124.784 122.820 -0.208 0.000 1.877 3241 A HA -0.055 4.252 4.320 -0.022 0.000 0.216 3241 A C 1.885 179.338 177.584 -0.218 0.000 1.186 3241 A CA 1.347 53.285 52.037 -0.165 0.000 0.620 3241 A CB -0.437 18.503 19.000 -0.099 0.000 0.822 3241 A HN 0.306 nan 8.150 nan 0.000 0.443 3242 I N 0.997 121.353 120.570 -0.358 0.000 2.264 3242 I HA -0.203 3.953 4.170 -0.022 0.000 0.248 3242 I C 2.684 178.696 176.117 -0.174 0.000 1.111 3242 I CA 2.336 63.458 61.300 -0.295 0.000 1.382 3242 I CB -1.467 36.180 38.000 -0.588 0.000 1.060 3242 I HN 0.583 nan 8.210 nan 0.000 0.418 3243 T N -3.013 111.406 114.554 -0.225 0.000 3.043 3243 T HA -0.043 4.294 4.350 -0.022 0.000 0.263 3243 T C 1.495 176.162 174.700 -0.055 0.000 1.094 3243 T CA 0.581 62.625 62.100 -0.094 0.000 1.127 3243 T CB -0.145 68.710 68.868 -0.022 0.000 0.905 3243 T HN 0.108 nan 8.240 nan 0.000 0.490 3244 D N 1.408 121.756 120.400 -0.088 0.000 2.144 3244 D HA -0.016 4.611 4.640 -0.022 0.000 0.200 3244 D C 2.208 178.443 176.300 -0.107 0.000 0.978 3244 D CA 0.852 54.808 54.000 -0.073 0.000 0.833 3244 D CB -0.202 40.554 40.800 -0.073 0.000 0.961 3244 D HN 0.416 nan 8.370 nan 0.000 0.470 3245 R N -0.973 119.406 120.500 -0.201 0.000 2.140 3245 R HA -0.004 4.322 4.340 -0.022 0.000 0.213 3245 R C 1.198 177.277 176.300 -0.368 0.000 1.059 3245 R CA 0.635 56.528 56.100 -0.346 0.000 1.000 3245 R CB 0.127 30.078 30.300 -0.581 0.000 0.910 3245 R HN 0.263 nan 8.270 nan 0.000 0.455 3246 Y N -0.811 119.467 120.300 -0.036 0.000 2.445 3246 Y HA 0.358 4.894 4.550 -0.023 0.000 0.247 3246 Y C 0.537 176.415 175.900 -0.037 0.000 1.129 3246 Y CA -0.009 58.070 58.100 -0.036 0.000 1.251 3246 Y CB 1.719 40.130 38.460 -0.081 0.000 1.176 3246 Y HN 0.268 nan 8.280 nan 0.000 0.522 3247 G N 0.561 109.412 108.800 0.086 0.000 2.525 3247 G HA2 -0.158 3.788 3.960 -0.022 0.000 0.685 3247 G HA3 -0.158 3.788 3.960 -0.022 0.000 0.685 3247 G C -0.275 174.641 174.900 0.027 0.000 1.285 3247 G CA -0.673 44.457 45.100 0.051 0.000 0.849 3247 G HN 0.144 nan 8.290 nan 0.000 0.653 3248 R N 0.339 120.849 120.500 0.015 0.000 2.148 3248 R HA -0.039 4.287 4.340 -0.022 0.000 0.223 3248 R C 2.183 178.484 176.300 0.001 0.000 1.088 3248 R CA 1.698 57.815 56.100 0.030 0.000 0.985 3248 R CB -0.115 30.183 30.300 -0.004 0.000 0.880 3248 R HN 0.625 nan 8.270 nan 0.000 0.451 3249 N N -0.889 117.788 118.700 -0.037 0.000 2.362 3249 N HA -0.029 4.697 4.740 -0.022 0.000 0.204 3249 N C -0.801 174.694 175.510 -0.024 0.000 1.166 3249 N CA 0.053 53.067 53.050 -0.060 0.000 0.831 3249 N CB 0.288 38.724 38.487 -0.085 0.000 1.008 3249 N HN -0.181 nan 8.380 nan 0.000 0.472 3250 T N 1.399 115.942 114.554 -0.019 0.000 2.853 3250 T HA 0.018 4.354 4.350 -0.022 0.000 0.298 3250 T C 0.276 174.966 174.700 -0.016 0.000 0.978 3250 T CA -0.394 61.682 62.100 -0.040 0.000 1.152 3250 T CB 0.456 69.287 68.868 -0.062 0.000 0.914 3250 T HN 0.292 nan 8.240 nan 0.000 0.539 3251 L N 5.506 126.740 121.223 0.017 0.000 2.500 3251 L HA 0.322 4.649 4.340 -0.022 0.000 0.272 3251 L C -0.468 176.447 176.870 0.074 0.000 1.149 3251 L CA 0.044 54.949 54.840 0.107 0.000 0.897 3251 L CB 0.059 42.227 42.059 0.180 0.000 1.178 3251 L HN 0.639 nan 8.230 nan 0.000 0.473 3252 I N 5.611 126.237 120.570 0.093 0.000 2.390 3252 I HA 0.220 4.377 4.170 -0.022 0.000 0.283 3252 I C -0.182 175.949 176.117 0.024 0.000 1.016 3252 I CA -0.343 60.951 61.300 -0.010 0.000 1.151 3252 I CB 1.664 39.602 38.000 -0.103 0.000 1.293 3252 I HN 0.589 nan 8.210 nan 0.000 0.458 3253 Q N 6.362 126.088 119.800 -0.124 0.000 2.331 3253 Q HA 0.391 4.718 4.340 -0.022 0.000 0.257 3253 Q C -1.375 174.424 176.000 -0.334 0.000 0.957 3253 Q CA -0.630 54.914 55.803 -0.432 0.000 0.923 3253 Q CB 0.970 29.457 28.738 -0.419 0.000 1.212 3253 Q HN 0.420 nan 8.270 nan 0.000 0.443 3254 F N 2.814 122.508 119.950 -0.427 0.000 2.427 3254 F HA 0.252 4.765 4.527 -0.023 0.000 0.352 3254 F C 0.352 176.051 175.800 -0.168 0.000 1.100 3254 F CA -0.088 57.763 58.000 -0.250 0.000 1.191 3254 F CB 1.192 39.985 39.000 -0.345 0.000 1.128 3254 F HN 0.559 nan 8.300 nan 0.000 0.533 3255 E N 1.972 122.259 120.200 0.145 0.000 2.263 3255 E HA 0.312 4.649 4.350 -0.022 0.000 0.268 3255 E C -1.280 175.425 176.600 0.175 0.000 0.884 3255 E CA -0.668 55.780 56.400 0.079 0.000 0.766 3255 E CB 0.865 30.521 29.700 -0.074 0.000 1.196 3255 E HN 0.472 nan 8.360 nan 0.000 0.416 3256 D N 2.538 123.012 120.400 0.123 0.000 2.697 3256 D HA -0.226 4.401 4.640 -0.022 0.000 0.238 3256 D C -0.855 175.495 176.300 0.084 0.000 1.152 3256 D CA 0.956 54.997 54.000 0.068 0.000 0.666 3256 D CB -1.345 39.434 40.800 -0.036 0.000 1.037 3256 D HN 0.207 nan 8.370 nan 0.000 0.423 3257 F N 0.397 120.371 119.950 0.041 0.000 2.411 3257 F HA 0.600 5.114 4.527 -0.021 0.000 0.324 3257 F C 1.908 177.736 175.800 0.046 0.000 1.086 3257 F CA -0.173 57.888 58.000 0.102 0.000 1.028 3257 F CB 0.704 39.850 39.000 0.243 0.000 1.284 3257 F HN -0.015 nan 8.300 nan 0.000 0.501 3258 G N 0.875 109.810 108.800 0.226 0.000 2.614 3258 G HA2 -0.059 3.888 3.960 -0.022 0.000 0.239 3258 G HA3 -0.059 3.888 3.960 -0.022 0.000 0.239 3258 G C 0.915 175.889 174.900 0.123 0.000 1.240 3258 G CA -0.319 44.854 45.100 0.123 0.000 0.842 3258 G HN 0.740 nan 8.290 nan 0.000 0.584 3259 N N 0.042 118.803 118.700 0.103 0.000 2.094 3259 N HA -0.239 4.487 4.740 -0.022 0.000 0.191 3259 N C 1.749 177.379 175.510 0.200 0.000 1.023 3259 N CA 1.946 55.081 53.050 0.141 0.000 0.857 3259 N CB -0.277 38.291 38.487 0.135 0.000 1.013 3259 N HN 0.744 nan 8.380 nan 0.000 0.426 3260 H N 0.767 119.859 119.070 0.038 0.000 2.276 3260 H HA 0.101 4.644 4.556 -0.022 0.000 0.301 3260 H C 1.710 176.996 175.328 -0.070 0.000 1.073 3260 H CA 2.274 58.316 56.048 -0.012 0.000 1.311 3260 H CB -0.632 29.105 29.762 -0.042 0.000 1.379 3260 H HN 0.374 nan 8.280 nan 0.000 0.494 3261 N N -0.030 118.542 118.700 -0.213 0.000 2.149 3261 N HA -0.176 4.550 4.740 -0.022 0.000 0.188 3261 N C 1.979 177.256 175.510 -0.388 0.000 1.019 3261 N CA 0.727 53.493 53.050 -0.474 0.000 0.857 3261 N CB -0.105 38.369 38.487 -0.022 0.000 0.997 3261 N HN 0.447 nan 8.380 nan 0.000 0.426 3262 A N 1.379 124.131 122.820 -0.113 0.000 1.834 3262 A HA -0.170 4.136 4.320 -0.022 0.000 0.216 3262 A C 1.856 179.257 177.584 -0.305 0.000 1.203 3262 A CA 1.385 53.306 52.037 -0.194 0.000 0.621 3262 A CB -1.207 17.642 19.000 -0.251 0.000 0.841 3262 A HN 0.214 nan 8.150 nan 0.000 0.446 3263 F N 0.517 120.306 119.950 -0.268 0.000 2.091 3263 F HA -0.243 4.270 4.527 -0.023 0.000 0.299 3263 F C 2.625 178.298 175.800 -0.212 0.000 1.103 3263 F CA 2.055 59.886 58.000 -0.282 0.000 1.228 3263 F CB -0.347 38.303 39.000 -0.583 0.000 0.984 3263 F HN 0.357 nan 8.300 nan 0.000 0.477 3264 R N -0.081 120.344 120.500 -0.125 0.000 2.148 3264 R HA -0.147 4.179 4.340 -0.022 0.000 0.227 3264 R C 1.947 178.116 176.300 -0.219 0.000 1.103 3264 R CA 1.631 57.606 56.100 -0.208 0.000 0.983 3264 R CB -1.217 28.825 30.300 -0.430 0.000 0.874 3264 R HN 0.298 nan 8.270 nan 0.000 0.451 3265 F N 0.601 120.364 119.950 -0.312 0.000 2.335 3265 F HA -0.028 4.485 4.527 -0.023 0.000 0.296 3265 F C 2.356 177.851 175.800 -0.507 0.000 1.091 3265 F CA -0.200 57.516 58.000 -0.472 0.000 1.399 3265 F CB 0.086 38.779 39.000 -0.512 0.000 1.067 3265 F HN 0.030 nan 8.300 nan 0.000 0.520 3266 L N 1.188 122.275 121.223 -0.226 0.000 2.027 3266 L HA -0.168 4.159 4.340 -0.022 0.000 0.206 3266 L C 2.382 179.231 176.870 -0.035 0.000 1.074 3266 L CA 1.797 56.536 54.840 -0.169 0.000 0.745 3266 L CB -0.913 41.057 42.059 -0.148 0.000 0.898 3266 L HN 0.141 nan 8.230 nan 0.000 0.433 3267 R N 0.283 120.782 120.500 -0.002 0.000 2.120 3267 R HA -0.212 4.114 4.340 -0.022 0.000 0.234 3267 R C 2.315 178.587 176.300 -0.047 0.000 1.123 3267 R CA 1.632 57.750 56.100 0.029 0.000 0.975 3267 R CB -0.132 30.220 30.300 0.086 0.000 0.866 3267 R HN 0.333 nan 8.270 nan 0.000 0.446 3268 K N -0.967 119.334 120.400 -0.165 0.000 2.365 3268 K HA -0.096 4.211 4.320 -0.022 0.000 0.197 3268 K C 0.501 176.918 176.600 -0.306 0.000 1.042 3268 K CA 0.969 57.070 56.287 -0.310 0.000 0.987 3268 K CB 0.279 32.469 32.500 -0.518 0.000 0.779 3268 K HN 0.344 nan 8.250 nan 0.000 0.484 3269 Y N -0.654 119.685 120.300 0.065 0.000 2.425 3269 Y HA 0.119 4.655 4.550 -0.023 0.000 0.261 3269 Y C 1.729 177.722 175.900 0.154 0.000 1.084 3269 Y CA -0.578 57.607 58.100 0.142 0.000 1.248 3269 Y CB 0.459 39.025 38.460 0.177 0.000 1.270 3269 Y HN -0.035 nan 8.280 nan 0.000 0.524 3270 R N 1.342 121.981 120.500 0.231 0.000 2.200 3270 R HA -0.146 4.180 4.340 -0.022 0.000 0.234 3270 R C 0.335 176.753 176.300 0.196 0.000 1.127 3270 R CA 1.921 58.158 56.100 0.228 0.000 0.989 3270 R CB -0.338 30.065 30.300 0.173 0.000 0.869 3270 R HN 0.347 nan 8.270 nan 0.000 0.459 3271 E N -0.365 119.864 120.200 0.049 0.000 2.651 3271 E HA 0.172 4.509 4.350 -0.022 0.000 0.208 3271 E C 0.403 176.846 176.600 -0.261 0.000 0.997 3271 E CA -0.263 55.958 56.400 -0.298 0.000 1.020 3271 E CB 0.860 30.406 29.700 -0.257 0.000 1.052 3271 E HN 0.170 nan 8.360 nan 0.000 0.465 3272 K N -0.537 119.899 120.400 0.061 0.000 2.474 3272 K HA 0.191 4.497 4.320 -0.022 0.000 0.202 3272 K C -0.184 176.272 176.600 -0.240 0.000 1.248 3272 K CA 0.532 56.755 56.287 -0.107 0.000 0.946 3272 K CB 1.047 33.414 32.500 -0.222 0.000 1.102 3272 K HN 0.015 nan 8.250 nan 0.000 0.541 3273 Y N -1.291 119.170 120.300 0.267 0.000 2.705 3273 Y HA 0.244 4.781 4.550 -0.022 0.000 0.332 3273 Y C -0.228 175.732 175.900 0.100 0.000 1.157 3273 Y CA -1.198 56.957 58.100 0.091 0.000 1.091 3273 Y CB 1.353 39.814 38.460 0.002 0.000 1.301 3273 Y HN -0.162 nan 8.280 nan 0.000 0.488 3274 C N 2.170 121.582 119.300 0.186 0.000 2.298 3274 C HA 0.570 5.017 4.460 -0.022 0.000 0.451 3274 C C 0.066 175.199 174.990 0.240 0.000 1.028 3274 C CA 0.142 59.240 59.018 0.133 0.000 1.324 3274 C CB -2.240 25.521 27.740 0.036 0.000 1.534 3274 C HN 0.661 nan 8.230 nan 0.000 0.528 3275 T N 3.454 118.203 114.554 0.326 0.000 2.906 3275 T HA 0.836 5.173 4.350 -0.022 0.000 0.295 3275 T C -1.011 173.975 174.700 0.477 0.000 1.075 3275 T CA -0.399 61.925 62.100 0.373 0.000 1.005 3275 T CB 1.291 70.355 68.868 0.326 0.000 1.136 3275 T HN 0.788 nan 8.240 nan 0.000 0.498 3276 F N 1.656 121.755 119.950 0.247 0.000 2.678 3276 F HA 0.590 5.105 4.527 -0.020 0.000 0.308 3276 F C -1.252 174.648 175.800 0.168 0.000 1.118 3276 F CA -1.189 56.939 58.000 0.213 0.000 0.959 3276 F CB 1.326 40.540 39.000 0.357 0.000 1.305 3276 F HN 0.452 nan 8.300 nan 0.000 0.443 3277 N N 2.605 121.289 118.700 -0.027 0.000 2.437 3277 N HA 0.101 4.828 4.740 -0.022 0.000 0.259 3277 N C 0.050 175.491 175.510 -0.114 0.000 0.983 3277 N CA 0.010 52.959 53.050 -0.170 0.000 0.937 3277 N CB 1.412 39.778 38.487 -0.202 0.000 1.122 3277 N HN 0.989 nan 8.380 nan 0.000 0.499 3278 D N 2.681 122.958 120.400 -0.205 0.000 2.178 3278 D HA -0.132 4.495 4.640 -0.022 0.000 0.201 3278 D C 0.662 176.993 176.300 0.051 0.000 0.980 3278 D CA 1.326 55.358 54.000 0.053 0.000 0.842 3278 D CB 0.373 41.156 40.800 -0.028 0.000 0.948 3278 D HN 0.543 nan 8.370 nan 0.000 0.472 3279 D N -0.579 119.802 120.400 -0.032 0.000 2.183 3279 D HA -0.054 4.572 4.640 -0.022 0.000 0.203 3279 D C 2.140 178.382 176.300 -0.097 0.000 0.969 3279 D CA 0.585 54.559 54.000 -0.043 0.000 0.842 3279 D CB 0.321 41.084 40.800 -0.061 0.000 0.957 3279 D HN 0.397 nan 8.370 nan 0.000 0.484 3280 I N 0.380 120.843 120.570 -0.178 0.000 2.512 3280 I HA -0.145 4.012 4.170 -0.022 0.000 0.247 3280 I C 2.313 178.327 176.117 -0.172 0.000 1.094 3280 I CA 0.598 61.764 61.300 -0.223 0.000 1.427 3280 I CB -0.031 37.734 38.000 -0.392 0.000 1.149 3280 I HN -0.183 nan 8.210 nan 0.000 0.438 3281 Q N 0.659 120.300 119.800 -0.264 0.000 2.165 3281 Q HA 0.042 4.369 4.340 -0.022 0.000 0.197 3281 Q C 2.303 177.953 176.000 -0.583 0.000 0.952 3281 Q CA 1.208 56.647 55.803 -0.608 0.000 0.848 3281 Q CB -0.250 27.807 28.738 -1.135 0.000 0.931 3281 Q HN 0.547 nan 8.270 nan 0.000 0.470 3282 G N 0.504 109.196 108.800 -0.181 0.000 2.402 3282 G HA2 -0.230 3.716 3.960 -0.022 0.000 0.216 3282 G HA3 -0.230 3.716 3.960 -0.022 0.000 0.216 3282 G C 1.386 176.385 174.900 0.165 0.000 1.162 3282 G CA 1.356 46.565 45.100 0.180 0.000 0.777 3282 G HN 0.243 nan 8.290 nan 0.000 0.539 3283 T N 1.869 116.488 114.554 0.107 0.000 2.746 3283 T HA -0.018 4.319 4.350 -0.022 0.000 0.267 3283 T C 2.826 177.599 174.700 0.122 0.000 1.039 3283 T CA 1.543 63.712 62.100 0.114 0.000 1.142 3283 T CB -0.461 68.453 68.868 0.077 0.000 0.866 3283 T HN 0.379 nan 8.240 nan 0.000 0.444 3284 A N 1.763 124.629 122.820 0.076 0.000 1.892 3284 A HA -0.029 4.278 4.320 -0.022 0.000 0.218 3284 A C 2.677 180.356 177.584 0.159 0.000 1.188 3284 A CA 2.210 54.311 52.037 0.107 0.000 0.631 3284 A CB -1.272 17.757 19.000 0.049 0.000 0.822 3284 A HN 0.545 nan 8.150 nan 0.000 0.447 3285 A N -0.754 122.171 122.820 0.174 0.000 1.933 3285 A HA 0.047 4.354 4.320 -0.022 0.000 0.218 3285 A C 2.193 179.900 177.584 0.204 0.000 1.175 3285 A CA 1.871 54.036 52.037 0.213 0.000 0.628 3285 A CB -0.821 18.354 19.000 0.293 0.000 0.814 3285 A HN 0.564 nan 8.150 nan 0.000 0.444 3286 V N -0.567 119.467 119.914 0.201 0.000 2.407 3286 V HA -0.104 4.002 4.120 -0.022 0.000 0.245 3286 V C 2.920 179.192 176.094 0.296 0.000 1.041 3286 V CA 1.548 63.969 62.300 0.201 0.000 1.040 3286 V CB -1.469 30.411 31.823 0.096 0.000 0.671 3286 V HN 0.542 nan 8.190 nan 0.000 0.455 3287 A N 0.676 123.658 122.820 0.271 0.000 1.877 3287 A HA -0.180 4.127 4.320 -0.022 0.000 0.216 3287 A C 2.187 179.993 177.584 0.369 0.000 1.186 3287 A CA 2.113 54.374 52.037 0.372 0.000 0.620 3287 A CB -0.638 18.576 19.000 0.356 0.000 0.822 3287 A HN 0.468 nan 8.150 nan 0.000 0.443 3288 L N -0.201 121.178 121.223 0.261 0.000 2.083 3288 L HA -0.037 4.290 4.340 -0.022 0.000 0.209 3288 L C 2.480 179.444 176.870 0.156 0.000 1.083 3288 L CA 2.246 57.202 54.840 0.192 0.000 0.752 3288 L CB -0.656 41.498 42.059 0.160 0.000 0.899 3288 L HN 0.310 nan 8.230 nan 0.000 0.433 3289 A N -0.846 122.078 122.820 0.173 0.000 2.119 3289 A HA 0.102 4.409 4.320 -0.022 0.000 0.217 3289 A C 2.222 179.790 177.584 -0.026 0.000 1.153 3289 A CA 1.076 53.175 52.037 0.104 0.000 0.692 3289 A CB -1.187 17.908 19.000 0.158 0.000 0.799 3289 A HN 0.537 nan 8.150 nan 0.000 0.458 3290 G N -0.468 108.361 108.800 0.049 0.000 2.411 3290 G HA2 0.082 4.029 3.960 -0.022 0.000 0.213 3290 G HA3 0.082 4.029 3.960 -0.022 0.000 0.213 3290 G C 1.305 176.267 174.900 0.103 0.000 1.166 3290 G CA 0.712 45.729 45.100 -0.138 0.000 0.802 3290 G HN 0.309 nan 8.290 nan 0.000 0.533 3291 L N 0.235 121.561 121.223 0.171 0.000 1.994 3291 L HA 0.080 4.407 4.340 -0.022 0.000 0.208 3291 L C 2.711 179.591 176.870 0.016 0.000 1.071 3291 L CA 0.887 55.757 54.840 0.051 0.000 0.745 3291 L CB -1.039 41.036 42.059 0.027 0.000 0.892 3291 L HN 0.088 nan 8.230 nan 0.000 0.431 3292 L N -0.503 120.728 121.223 0.013 0.000 2.089 3292 L HA -0.227 4.100 4.340 -0.022 0.000 0.213 3292 L C 2.449 179.306 176.870 -0.022 0.000 1.079 3292 L CA 2.060 56.895 54.840 -0.008 0.000 0.758 3292 L CB -1.047 41.014 42.059 0.004 0.000 0.891 3292 L HN 0.292 nan 8.230 nan 0.000 0.433 3293 A N -1.766 121.025 122.820 -0.049 0.000 1.975 3293 A HA 0.116 4.422 4.320 -0.022 0.000 0.215 3293 A C 2.412 179.984 177.584 -0.021 0.000 1.170 3293 A CA 1.109 53.109 52.037 -0.062 0.000 0.656 3293 A CB -0.641 18.265 19.000 -0.157 0.000 0.821 3293 A HN 0.397 nan 8.150 nan 0.000 0.449 3294 A N -0.415 122.406 122.820 0.002 0.000 1.873 3294 A HA -0.178 4.128 4.320 -0.022 0.000 0.215 3294 A C 2.085 179.698 177.584 0.049 0.000 1.186 3294 A CA 1.907 53.967 52.037 0.039 0.000 0.616 3294 A CB -0.563 18.465 19.000 0.046 0.000 0.823 3294 A HN 0.503 nan 8.150 nan 0.000 0.442 3295 Q N -0.444 119.381 119.800 0.042 0.000 2.515 3295 Q HA -0.130 4.197 4.340 -0.022 0.000 0.215 3295 Q C 1.530 177.550 176.000 0.033 0.000 0.983 3295 Q CA 1.762 57.593 55.803 0.047 0.000 0.905 3295 Q CB -0.263 28.460 28.738 -0.025 0.000 0.961 3295 Q HN 0.498 nan 8.270 nan 0.000 0.503 3296 K N -1.284 119.130 120.400 0.024 0.000 2.361 3296 K HA 0.048 4.354 4.320 -0.022 0.000 0.196 3296 K C 1.264 177.882 176.600 0.031 0.000 1.039 3296 K CA 0.803 57.102 56.287 0.021 0.000 1.001 3296 K CB 0.542 33.048 32.500 0.010 0.000 0.795 3296 K HN 0.264 nan 8.250 nan 0.000 0.495 3297 V N -1.744 118.195 119.914 0.042 0.000 3.605 3297 V HA 0.215 4.322 4.120 -0.022 0.000 0.284 3297 V C 1.139 177.264 176.094 0.051 0.000 1.386 3297 V CA 0.334 62.664 62.300 0.049 0.000 1.053 3297 V CB -0.305 31.555 31.823 0.063 0.000 0.857 3297 V HN 0.230 nan 8.190 nan 0.000 0.436 3298 I N -3.371 117.231 120.570 0.054 0.000 4.433 3298 I HA 0.443 4.599 4.170 -0.022 0.000 0.322 3298 I C 1.080 177.231 176.117 0.057 0.000 1.284 3298 I CA 0.279 61.610 61.300 0.052 0.000 1.269 3298 I CB 0.351 38.381 38.000 0.051 0.000 1.219 3298 I HN 0.063 nan 8.210 nan 0.000 0.436 3299 S N 2.645 118.384 115.700 0.064 0.000 3.447 3299 S HA -0.151 4.306 4.470 -0.022 0.000 0.371 3299 S C -0.034 174.611 174.600 0.075 0.000 0.951 3299 S CA 0.830 59.065 58.200 0.059 0.000 1.269 3299 S CB -1.558 61.665 63.200 0.039 0.000 0.919 3299 S HN 0.597 nan 8.310 nan 0.000 0.516 3300 K N 0.631 121.113 120.400 0.137 0.000 2.166 3300 K HA 0.495 4.802 4.320 -0.022 0.000 0.245 3300 K C -2.760 173.946 176.600 0.176 0.000 0.967 3300 K CA -2.443 53.932 56.287 0.146 0.000 0.863 3300 K CB 0.697 33.272 32.500 0.124 0.000 1.107 3300 K HN -0.012 nan 8.250 nan 0.000 0.436 3301 P HA 0.053 nan 4.420 nan 0.000 0.271 3301 P C 0.587 177.991 177.300 0.172 0.000 1.216 3301 P CA -0.220 62.943 63.100 0.105 0.000 0.771 3301 P CB 0.386 32.127 31.700 0.067 0.000 0.864 3302 I N 1.539 122.160 120.570 0.084 0.000 2.700 3302 I HA -0.153 4.004 4.170 -0.022 0.000 0.261 3302 I C 1.743 177.924 176.117 0.107 0.000 1.219 3302 I CA 1.726 63.060 61.300 0.057 0.000 1.463 3302 I CB -1.263 36.726 38.000 -0.018 0.000 1.092 3302 I HN 0.325 nan 8.210 nan 0.000 0.452 3303 S N 0.104 115.857 115.700 0.088 0.000 2.631 3303 S HA 0.018 4.474 4.470 -0.022 0.000 0.217 3303 S C 1.281 175.927 174.600 0.077 0.000 0.958 3303 S CA 0.280 58.522 58.200 0.070 0.000 0.920 3303 S CB -0.068 63.159 63.200 0.045 0.000 0.776 3303 S HN 0.328 nan 8.310 nan 0.000 0.517 3304 E N 0.174 120.440 120.200 0.110 0.000 2.562 3304 E HA 0.172 4.509 4.350 -0.022 0.000 0.214 3304 E C -0.732 175.875 176.600 0.012 0.000 0.979 3304 E CA -0.009 56.424 56.400 0.055 0.000 1.002 3304 E CB 0.261 29.981 29.700 0.033 0.000 1.048 3304 E HN 0.504 nan 8.360 nan 0.000 0.488 3305 H N 1.040 120.118 119.070 0.013 0.000 2.594 3305 H HA 0.349 4.892 4.556 -0.021 0.000 0.304 3305 H C -0.352 174.996 175.328 0.034 0.000 1.068 3305 H CA -0.009 56.045 56.048 0.009 0.000 1.308 3305 H CB 1.042 30.808 29.762 0.006 0.000 1.409 3305 H HN -0.223 nan 8.280 nan 0.000 0.460 3306 K N 4.215 124.657 120.400 0.070 0.000 2.426 3306 K HA 0.478 4.785 4.320 -0.022 0.000 0.254 3306 K C -1.266 175.381 176.600 0.079 0.000 0.936 3306 K CA -0.471 55.885 56.287 0.116 0.000 0.801 3306 K CB 1.027 33.584 32.500 0.095 0.000 1.139 3306 K HN 0.522 nan 8.250 nan 0.000 0.424 3307 I N 4.782 125.427 120.570 0.125 0.000 2.441 3307 I HA 0.383 4.540 4.170 -0.022 0.000 0.295 3307 I C -1.098 175.058 176.117 0.064 0.000 0.994 3307 I CA -1.298 60.005 61.300 0.005 0.000 1.144 3307 I CB 1.669 39.618 38.000 -0.086 0.000 1.314 3307 I HN 0.440 nan 8.210 nan 0.000 0.445 3308 L N 6.757 127.956 121.223 -0.040 0.000 2.376 3308 L HA 0.591 4.917 4.340 -0.022 0.000 0.275 3308 L C -1.548 175.378 176.870 0.095 0.000 0.987 3308 L CA -0.053 54.857 54.840 0.117 0.000 0.828 3308 L CB 1.291 43.405 42.059 0.092 0.000 1.249 3308 L HN 0.242 nan 8.230 nan 0.000 0.409 3309 F N 4.873 125.031 119.950 0.347 0.000 2.399 3309 F HA 0.525 5.038 4.527 -0.023 0.000 0.334 3309 F C -0.129 175.919 175.800 0.414 0.000 1.097 3309 F CA -0.456 57.738 58.000 0.323 0.000 1.076 3309 F CB 1.693 40.810 39.000 0.196 0.000 1.162 3309 F HN 0.371 nan 8.300 nan 0.000 0.495 3310 L N 3.467 125.004 121.223 0.524 0.000 2.272 3310 L HA 0.768 5.094 4.340 -0.022 0.000 0.284 3310 L C -0.131 176.889 176.870 0.249 0.000 1.045 3310 L CA 0.055 55.052 54.840 0.261 0.000 0.842 3310 L CB 0.068 42.090 42.059 -0.061 0.000 1.224 3310 L HN 0.716 nan 8.230 nan 0.000 0.430 3311 G N 3.614 112.574 108.800 0.267 0.000 2.640 3311 G HA2 0.391 4.338 3.960 -0.022 0.000 0.686 3311 G HA3 0.391 4.338 3.960 -0.022 0.000 0.686 3311 G C -0.507 174.447 174.900 0.091 0.000 1.229 3311 G CA -0.357 44.831 45.100 0.147 0.000 0.796 3311 G HN 1.345 nan 8.290 nan 0.000 0.654 3312 A N 0.521 123.359 122.820 0.030 0.000 2.585 3312 A HA 0.821 5.128 4.320 -0.022 0.000 0.281 3312 A C 1.028 178.580 177.584 -0.053 0.000 0.945 3312 A CA 1.115 53.124 52.037 -0.047 0.000 1.031 3312 A CB -0.040 18.962 19.000 0.003 0.000 1.221 3312 A HN 2.214 nan 8.150 nan 0.000 0.496 3313 G N -0.940 107.848 108.800 -0.020 0.000 2.857 3313 G HA2 0.439 4.385 3.960 -0.022 0.000 0.217 3313 G HA3 0.439 4.385 3.960 -0.022 0.000 0.217 3313 G C 0.538 175.525 174.900 0.145 0.000 1.357 3313 G CA 0.081 45.218 45.100 0.062 0.000 1.033 3313 G HN 0.263 nan 8.290 nan 0.000 0.571 3314 E N -0.561 119.758 120.200 0.197 0.000 2.181 3314 E HA -0.361 3.975 4.350 -0.022 0.000 0.225 3314 E C 2.677 179.249 176.600 -0.047 0.000 1.073 3314 E CA 2.028 58.412 56.400 -0.026 0.000 0.916 3314 E CB -0.252 29.343 29.700 -0.175 0.000 0.793 3314 E HN 0.404 nan 8.360 nan 0.000 0.472 3315 A N 0.684 123.478 122.820 -0.043 0.000 1.930 3315 A HA 0.085 4.392 4.320 -0.022 0.000 0.215 3315 A C 2.299 179.815 177.584 -0.114 0.000 1.176 3315 A CA 1.382 53.393 52.037 -0.044 0.000 0.632 3315 A CB -0.508 18.491 19.000 -0.002 0.000 0.819 3315 A HN 0.310 nan 8.150 nan 0.000 0.445 3316 A N 0.260 122.942 122.820 -0.231 0.000 1.841 3316 A HA -0.107 4.200 4.320 -0.022 0.000 0.216 3316 A C 2.155 179.312 177.584 -0.711 0.000 1.199 3316 A CA 1.625 53.236 52.037 -0.710 0.000 0.621 3316 A CB -0.876 17.736 19.000 -0.647 0.000 0.835 3316 A HN 0.454 nan 8.150 nan 0.000 0.445 3317 L N -0.608 120.400 121.223 -0.358 0.000 2.042 3317 L HA -0.178 4.149 4.340 -0.022 0.000 0.210 3317 L C 2.836 179.678 176.870 -0.048 0.000 1.076 3317 L CA 1.238 55.944 54.840 -0.223 0.000 0.749 3317 L CB -0.870 41.173 42.059 -0.026 0.000 0.893 3317 L HN 0.535 nan 8.230 nan 0.000 0.432 3318 G N 0.161 108.986 108.800 0.042 0.000 2.418 3318 G HA2 -0.201 3.745 3.960 -0.022 0.000 0.217 3318 G HA3 -0.201 3.745 3.960 -0.022 0.000 0.217 3318 G C 1.568 176.495 174.900 0.045 0.000 1.158 3318 G CA 0.666 45.802 45.100 0.059 0.000 0.771 3318 G HN 0.323 nan 8.290 nan 0.000 0.545 3319 I N 1.234 121.817 120.570 0.021 0.000 2.394 3319 I HA -0.081 4.076 4.170 -0.022 0.000 0.251 3319 I C 3.179 179.413 176.117 0.195 0.000 1.136 3319 I CA 0.735 62.121 61.300 0.145 0.000 1.425 3319 I CB -0.094 38.069 38.000 0.271 0.000 1.079 3319 I HN 0.240 nan 8.210 nan 0.000 0.425 3320 A N 1.056 123.914 122.820 0.064 0.000 1.872 3320 A HA -0.161 4.145 4.320 -0.022 0.000 0.214 3320 A C 2.082 179.804 177.584 0.230 0.000 1.187 3320 A CA 1.455 53.546 52.037 0.090 0.000 0.614 3320 A CB -0.614 18.069 19.000 -0.527 0.000 0.826 3320 A HN 0.373 nan 8.150 nan 0.000 0.442 3321 N N -0.367 118.462 118.700 0.215 0.000 2.289 3321 N HA -0.127 4.599 4.740 -0.022 0.000 0.184 3321 N C 1.483 177.118 175.510 0.208 0.000 1.016 3321 N CA 1.275 54.489 53.050 0.274 0.000 0.872 3321 N CB -0.232 38.401 38.487 0.243 0.000 0.973 3321 N HN 0.395 nan 8.380 nan 0.000 0.433 3322 L N 1.052 122.382 121.223 0.180 0.000 2.162 3322 L HA 0.163 4.489 4.340 -0.022 0.000 0.205 3322 L C 1.993 178.957 176.870 0.157 0.000 1.086 3322 L CA 0.747 55.683 54.840 0.160 0.000 0.778 3322 L CB -0.234 41.915 42.059 0.150 0.000 0.928 3322 L HN 0.010 nan 8.230 nan 0.000 0.446 3323 I N -1.264 119.415 120.570 0.181 0.000 2.226 3323 I HA -0.226 3.931 4.170 -0.022 0.000 0.245 3323 I C 1.270 177.475 176.117 0.148 0.000 1.100 3323 I CA 0.335 61.733 61.300 0.162 0.000 1.374 3323 I CB -0.355 37.762 38.000 0.195 0.000 1.057 3323 I HN -0.072 nan 8.210 nan 0.000 0.413 3329 E N 1.290 121.511 120.200 0.035 0.000 2.285 3329 E HA -0.037 4.300 4.350 -0.022 0.000 0.194 3329 E C 1.139 177.754 176.600 0.025 0.000 0.997 3329 E CA 1.364 57.784 56.400 0.034 0.000 0.845 3329 E CB 0.041 29.765 29.700 0.040 0.000 0.782 3329 E HN 0.780 nan 8.360 nan 0.000 0.491 3330 N N -0.684 118.028 118.700 0.019 0.000 2.273 3330 N HA 0.185 4.911 4.740 -0.022 0.000 0.231 3330 N C 0.178 175.695 175.510 0.011 0.000 1.134 3330 N CA 0.066 53.123 53.050 0.012 0.000 0.856 3330 N CB 1.411 39.900 38.487 0.004 0.000 1.068 3330 N HN 0.240 nan 8.380 nan 0.000 0.510 3331 G N 0.727 109.535 108.800 0.013 0.000 1.674 3331 G HA2 -0.196 3.750 3.960 -0.022 0.000 0.192 3331 G HA3 -0.196 3.750 3.960 -0.022 0.000 0.192 3331 G C -0.581 174.326 174.900 0.011 0.000 1.551 3331 G CA -0.895 44.212 45.100 0.011 0.000 1.320 3331 G HN 0.074 nan 8.290 nan 0.000 0.432 3332 L N 1.809 123.038 121.223 0.011 0.000 2.788 3332 L HA 0.267 4.594 4.340 -0.022 0.000 0.337 3332 L C 1.431 178.306 176.870 0.009 0.000 1.269 3332 L CA 1.439 56.285 54.840 0.010 0.000 0.842 3332 L CB -0.044 42.023 42.059 0.014 0.000 1.070 3332 L HN 0.808 nan 8.230 nan 0.000 0.559 3333 S N 0.430 116.131 115.700 0.001 0.000 2.632 3333 S HA 0.194 4.651 4.470 -0.022 0.000 0.271 3333 S C 1.101 175.697 174.600 -0.007 0.000 1.260 3333 S CA -0.136 58.061 58.200 -0.004 0.000 1.010 3333 S CB 0.979 64.171 63.200 -0.012 0.000 0.965 3333 S HN 0.738 nan 8.310 nan 0.000 0.534 3334 E N 1.369 121.563 120.200 -0.010 0.000 2.065 3334 E HA -0.291 4.046 4.350 -0.022 0.000 0.201 3334 E C 1.916 178.488 176.600 -0.047 0.000 1.016 3334 E CA 1.983 58.373 56.400 -0.017 0.000 0.818 3334 E CB -0.234 29.453 29.700 -0.022 0.000 0.749 3334 E HN 0.814 nan 8.360 nan 0.000 0.453 3335 Q N 0.142 119.907 119.800 -0.060 0.000 2.079 3335 Q HA -0.215 4.112 4.340 -0.022 0.000 0.200 3335 Q C 2.078 178.028 176.000 -0.083 0.000 0.974 3335 Q CA 1.539 57.289 55.803 -0.089 0.000 0.840 3335 Q CB -0.053 28.636 28.738 -0.081 0.000 0.898 3335 Q HN 0.334 nan 8.270 nan 0.000 0.430 3336 E N -0.714 119.455 120.200 -0.052 0.000 2.265 3336 E HA -0.175 4.162 4.350 -0.022 0.000 0.196 3336 E C 1.470 178.055 176.600 -0.025 0.000 0.996 3336 E CA 0.855 57.230 56.400 -0.041 0.000 0.832 3336 E CB 0.036 29.724 29.700 -0.021 0.000 0.756 3336 E HN 0.455 nan 8.360 nan 0.000 0.491 3337 A N 0.451 123.263 122.820 -0.012 0.000 1.911 3337 A HA -0.075 4.232 4.320 -0.022 0.000 0.212 3337 A C 1.950 179.558 177.584 0.040 0.000 1.189 3337 A CA 0.580 52.634 52.037 0.028 0.000 0.639 3337 A CB -0.190 18.838 19.000 0.047 0.000 0.839 3337 A HN 0.224 nan 8.150 nan 0.000 0.449 3338 Q N -0.132 119.653 119.800 -0.026 0.000 2.291 3338 Q HA -0.103 4.223 4.340 -0.022 0.000 0.206 3338 Q C 1.069 177.033 176.000 -0.061 0.000 0.976 3338 Q CA 0.890 56.638 55.803 -0.092 0.000 0.875 3338 Q CB -0.093 28.441 28.738 -0.339 0.000 0.927 3338 Q HN 0.323 nan 8.270 nan 0.000 0.450 3339 K N 0.658 120.968 120.400 -0.149 0.000 2.487 3339 K HA 0.023 4.330 4.320 -0.022 0.000 0.192 3339 K C 0.883 177.387 176.600 -0.159 0.000 1.027 3339 K CA 0.518 56.594 56.287 -0.352 0.000 1.054 3339 K CB 0.339 32.657 32.500 -0.304 0.000 0.824 3339 K HN 0.173 nan 8.250 nan 0.000 0.510 3340 K N 0.399 120.813 120.400 0.022 0.000 2.397 3340 K HA 0.270 4.576 4.320 -0.022 0.000 0.202 3340 K C 0.065 176.792 176.600 0.213 0.000 1.022 3340 K CA 0.085 56.449 56.287 0.128 0.000 1.141 3340 K CB 0.588 33.163 32.500 0.124 0.000 0.857 3340 K HN -0.009 nan 8.250 nan 0.000 0.514 3341 I N 0.455 121.164 120.570 0.232 0.000 2.499 3341 I HA 0.306 4.462 4.170 -0.022 0.000 0.288 3341 I C -0.975 175.297 176.117 0.259 0.000 1.048 3341 I CA -0.912 60.592 61.300 0.341 0.000 1.062 3341 I CB 1.208 39.528 38.000 0.533 0.000 1.238 3341 I HN -0.038 nan 8.210 nan 0.000 0.426 3345 D N 4.339 124.762 120.400 0.040 0.000 2.624 3345 D HA 0.243 4.869 4.640 -0.022 0.000 0.257 3345 D C 0.640 176.945 176.300 0.009 0.000 1.167 3345 D CA -0.396 53.663 54.000 0.097 0.000 1.086 3345 D CB 0.594 41.449 40.800 0.093 0.000 1.210 3345 D HN 0.599 nan 8.370 nan 0.000 0.631 3346 K N -1.040 119.336 120.400 -0.041 0.000 2.520 3346 K HA -0.140 4.167 4.320 -0.022 0.000 0.197 3346 K C 0.711 177.068 176.600 -0.405 0.000 1.043 3346 K CA 1.225 57.380 56.287 -0.221 0.000 0.944 3346 K CB -0.518 31.762 32.500 -0.367 0.000 0.770 3346 K HN 0.381 nan 8.250 nan 0.000 0.480 3347 Y N 0.382 120.622 120.300 -0.100 0.000 2.481 3347 Y HA 0.273 4.809 4.550 -0.023 0.000 0.247 3347 Y C 1.088 176.838 175.900 -0.249 0.000 1.151 3347 Y CA 0.041 58.070 58.100 -0.118 0.000 1.238 3347 Y CB 1.594 40.001 38.460 -0.090 0.000 1.179 3347 Y HN 0.345 nan 8.280 nan 0.000 0.524 3348 G N 0.474 108.992 108.800 -0.469 0.000 2.362 3348 G HA2 -0.111 3.836 3.960 -0.022 0.000 0.517 3348 G HA3 -0.111 3.836 3.960 -0.022 0.000 0.517 3348 G C -1.492 172.715 174.900 -1.155 0.000 1.256 3348 G CA -0.950 43.467 45.100 -1.137 0.000 1.027 3348 G HN 0.041 nan 8.290 nan 0.000 0.491 3349 L N 0.107 120.898 121.223 -0.721 0.000 2.483 3349 L HA 0.481 4.808 4.340 -0.022 0.000 0.276 3349 L C 0.652 177.530 176.870 0.013 0.000 1.213 3349 L CA -0.417 54.386 54.840 -0.062 0.000 0.843 3349 L CB 0.298 42.496 42.059 0.231 0.000 1.107 3349 L HN 0.532 nan 8.230 nan 0.000 0.487 3350 L N 6.757 128.058 121.223 0.129 0.000 2.312 3350 L HA 0.321 4.648 4.340 -0.022 0.000 0.287 3350 L C -0.279 176.667 176.870 0.127 0.000 1.091 3350 L CA -0.074 54.819 54.840 0.089 0.000 0.846 3350 L CB 0.276 42.380 42.059 0.075 0.000 1.219 3350 L HN 0.561 nan 8.230 nan 0.000 0.439 3351 V N 1.230 121.207 119.914 0.105 0.000 2.914 3351 V HA 0.542 4.648 4.120 -0.022 0.000 0.314 3351 V C 0.101 176.238 176.094 0.073 0.000 1.084 3351 V CA -1.460 60.922 62.300 0.137 0.000 0.963 3351 V CB 2.040 33.968 31.823 0.174 0.000 1.025 3351 V HN 0.548 nan 8.190 nan 0.000 0.432 3352 K N 1.906 122.353 120.400 0.078 0.000 2.451 3352 K HA 0.445 4.752 4.320 -0.022 0.000 0.280 3352 K C 1.090 177.712 176.600 0.037 0.000 1.020 3352 K CA 0.867 57.181 56.287 0.045 0.000 1.008 3352 K CB 0.390 32.920 32.500 0.050 0.000 0.917 3352 K HN 1.657 nan 8.250 nan 0.000 0.478 3353 G N 2.331 111.140 108.800 0.015 0.000 2.147 3353 G HA2 -0.324 3.623 3.960 -0.022 0.000 0.244 3353 G HA3 -0.324 3.623 3.960 -0.022 0.000 0.244 3353 G C -0.062 174.840 174.900 0.004 0.000 1.005 3353 G CA 0.467 45.572 45.100 0.008 0.000 0.713 3353 G HN 0.730 nan 8.290 nan 0.000 0.515 3354 R N -1.079 119.421 120.500 -0.001 0.000 2.500 3354 R HA 0.745 5.072 4.340 -0.022 0.000 0.275 3354 R C 1.269 177.546 176.300 -0.038 0.000 1.051 3354 R CA -0.290 55.803 56.100 -0.010 0.000 1.088 3354 R CB 0.812 31.106 30.300 -0.009 0.000 1.063 3354 R HN -0.034 nan 8.270 nan 0.000 0.511 3355 K N 2.181 122.556 120.400 -0.042 0.000 2.362 3355 K HA 0.053 4.359 4.320 -0.022 0.000 0.200 3355 K C 0.017 176.540 176.600 -0.127 0.000 1.046 3355 K CA 1.148 57.396 56.287 -0.065 0.000 0.952 3355 K CB -0.197 32.276 32.500 -0.044 0.000 0.753 3355 K HN 0.694 nan 8.250 nan 0.000 0.466 3356 A N 1.687 124.406 122.820 -0.168 0.000 2.362 3356 A HA 0.227 4.534 4.320 -0.022 0.000 0.276 3356 A C -0.523 176.904 177.584 -0.262 0.000 1.153 3356 A CA -0.435 51.396 52.037 -0.343 0.000 0.813 3356 A CB 0.051 18.801 19.000 -0.416 0.000 1.081 3356 A HN 0.301 nan 8.150 nan 0.000 0.507 3357 K N 0.821 121.051 120.400 -0.285 0.000 2.580 3357 K HA 0.164 4.471 4.320 -0.022 0.000 0.278 3357 K C -0.680 175.841 176.600 -0.132 0.000 0.960 3357 K CA 1.022 57.201 56.287 -0.179 0.000 0.988 3357 K CB 0.202 32.599 32.500 -0.172 0.000 0.887 3357 K HN 0.617 nan 8.250 nan 0.000 0.509 3358 I N 2.004 122.524 120.570 -0.084 0.000 2.610 3358 I HA 0.062 4.219 4.170 -0.022 0.000 0.289 3358 I C -0.680 175.416 176.117 -0.036 0.000 1.163 3358 I CA -1.003 60.266 61.300 -0.051 0.000 1.044 3358 I CB 2.018 39.996 38.000 -0.037 0.000 1.251 3358 I HN 0.743 nan 8.210 nan 0.000 0.424 3359 D N 3.473 123.860 120.400 -0.022 0.000 2.432 3359 D HA 0.229 4.855 4.640 -0.022 0.000 0.258 3359 D C 1.184 177.502 176.300 0.030 0.000 1.146 3359 D CA -0.356 53.647 54.000 0.005 0.000 1.015 3359 D CB 0.954 41.761 40.800 0.012 0.000 1.107 3359 D HN 0.490 nan 8.370 nan 0.000 0.529 3360 S N -0.220 115.505 115.700 0.041 0.000 2.369 3360 S HA -0.344 4.113 4.470 -0.022 0.000 0.225 3360 S C 2.014 176.596 174.600 -0.030 0.000 1.043 3360 S CA 1.266 59.446 58.200 -0.035 0.000 1.074 3360 S CB -1.424 61.694 63.200 -0.136 0.000 0.962 3360 S HN 0.582 nan 8.310 nan 0.000 0.433 3361 Y N 2.649 122.873 120.300 -0.127 0.000 2.384 3361 Y HA -0.074 4.462 4.550 -0.023 0.000 0.289 3361 Y C 2.850 178.759 175.900 0.015 0.000 1.152 3361 Y CA 1.200 59.235 58.100 -0.109 0.000 1.258 3361 Y CB -0.836 37.419 38.460 -0.341 0.000 0.979 3361 Y HN 0.456 nan 8.280 nan 0.000 0.549 3362 Q N -0.651 119.240 119.800 0.150 0.000 2.089 3362 Q HA -0.139 4.187 4.340 -0.022 0.000 0.195 3362 Q C 2.237 178.324 176.000 0.146 0.000 0.963 3362 Q CA 0.698 56.598 55.803 0.161 0.000 0.834 3362 Q CB -0.180 28.590 28.738 0.054 0.000 0.906 3362 Q HN 0.277 nan 8.270 nan 0.000 0.452 3363 E N 1.104 121.327 120.200 0.038 0.000 2.149 3363 E HA -0.228 4.109 4.350 -0.022 0.000 0.215 3363 E C -0.872 175.677 176.600 -0.086 0.000 1.055 3363 E CA 2.004 58.390 56.400 -0.025 0.000 0.870 3363 E CB -1.221 28.453 29.700 -0.044 0.000 0.764 3363 E HN 0.199 nan 8.360 nan 0.000 0.463 3364 P HA -0.140 nan 4.420 nan 0.000 0.224 3364 P C 0.430 177.306 177.300 -0.706 0.000 1.142 3364 P CA 1.248 64.081 63.100 -0.445 0.000 0.778 3364 P CB -0.249 31.104 31.700 -0.578 0.000 0.764 3365 F N -3.673 116.207 119.950 -0.116 0.000 2.729 3365 F HA 0.198 4.711 4.527 -0.023 0.000 0.315 3365 F C 0.599 175.975 175.800 -0.707 0.000 1.102 3365 F CA -0.118 57.679 58.000 -0.337 0.000 1.204 3365 F CB -0.364 38.545 39.000 -0.151 0.000 1.052 3365 F HN -0.406 nan 8.300 nan 0.000 0.551 3366 T N 2.274 116.660 114.554 -0.279 0.000 2.875 3366 T HA 0.226 4.562 4.350 -0.022 0.000 0.307 3366 T C -0.123 174.467 174.700 -0.183 0.000 1.013 3366 T CA -0.177 61.798 62.100 -0.208 0.000 0.970 3366 T CB -0.200 68.634 68.868 -0.057 0.000 0.986 3366 T HN 0.038 nan 8.240 nan 0.000 0.536 3367 H N 0.762 119.755 119.070 -0.128 0.000 2.517 3367 H HA 0.431 4.974 4.556 -0.023 0.000 0.346 3367 H C 0.521 175.884 175.328 0.060 0.000 1.222 3367 H CA -1.115 54.846 56.048 -0.146 0.000 1.314 3367 H CB 0.714 30.176 29.762 -0.499 0.000 1.609 3367 H HN 0.402 nan 8.280 nan 0.000 0.571 3368 S N 0.153 115.989 115.700 0.226 0.000 2.531 3368 S HA 0.368 4.824 4.470 -0.022 0.000 0.279 3368 S C 0.252 175.020 174.600 0.279 0.000 1.305 3368 S CA -0.594 57.719 58.200 0.187 0.000 1.058 3368 S CB -0.208 63.065 63.200 0.122 0.000 0.899 3368 S HN 0.774 nan 8.310 nan 0.000 0.493 3369 A N 6.553 129.504 122.820 0.217 0.000 2.586 3369 A HA 0.355 4.662 4.320 -0.022 0.000 0.231 3369 A C -1.905 175.773 177.584 0.157 0.000 1.055 3369 A CA -0.499 51.658 52.037 0.200 0.000 0.756 3369 A CB -0.669 18.405 19.000 0.122 0.000 0.988 3369 A HN 0.713 nan 8.150 nan 0.000 0.509 3370 P HA 0.342 nan 4.420 nan 0.000 0.312 3370 P C 0.548 177.860 177.300 0.020 0.000 1.308 3370 P CA -0.542 62.582 63.100 0.039 0.000 0.743 3370 P CB 0.373 32.032 31.700 -0.067 0.000 1.364 3371 E N -0.341 119.858 120.200 -0.002 0.000 2.055 3371 E HA -0.136 4.201 4.350 -0.022 0.000 0.209 3371 E C 0.509 177.108 176.600 -0.001 0.000 1.036 3371 E CA 1.788 58.187 56.400 -0.003 0.000 0.849 3371 E CB -0.956 28.734 29.700 -0.017 0.000 0.767 3371 E HN 0.483 nan 8.360 nan 0.000 0.461 3372 S N 0.166 115.858 115.700 -0.013 0.000 2.500 3372 S HA 0.492 4.949 4.470 -0.022 0.000 0.301 3372 S C -0.178 174.422 174.600 -0.001 0.000 1.092 3372 S CA -1.064 57.133 58.200 -0.005 0.000 1.030 3372 S CB 1.352 64.546 63.200 -0.011 0.000 1.031 3372 S HN 0.059 nan 8.310 nan 0.000 0.483 3373 I N 2.619 123.202 120.570 0.022 0.000 2.494 3373 I HA 0.257 4.413 4.170 -0.022 0.000 0.289 3373 I C -2.245 173.907 176.117 0.058 0.000 1.106 3373 I CA -2.202 59.125 61.300 0.045 0.000 1.369 3373 I CB -0.818 37.216 38.000 0.057 0.000 1.410 3373 I HN 0.439 nan 8.210 nan 0.000 0.523 3374 P HA 0.037 nan 4.420 nan 0.000 0.263 3374 P C 0.495 177.914 177.300 0.199 0.000 1.195 3374 P CA 0.214 63.371 63.100 0.094 0.000 0.762 3374 P CB 0.888 32.630 31.700 0.071 0.000 0.799 3375 D N 1.628 122.112 120.400 0.141 0.000 2.120 3375 D HA -0.072 4.555 4.640 -0.022 0.000 0.202 3375 D C 0.666 177.126 176.300 0.266 0.000 0.972 3375 D CA 1.189 55.293 54.000 0.173 0.000 0.837 3375 D CB 0.202 41.062 40.800 0.099 0.000 0.989 3375 D HN 0.457 nan 8.370 nan 0.000 0.469 3376 T N -3.547 111.096 114.554 0.148 0.000 2.922 3376 T HA 0.211 4.548 4.350 -0.022 0.000 0.281 3376 T C 0.774 175.359 174.700 -0.192 0.000 1.005 3376 T CA -0.798 61.354 62.100 0.087 0.000 0.982 3376 T CB 0.745 69.637 68.868 0.041 0.000 1.158 3376 T HN 0.017 nan 8.240 nan 0.000 0.566 3377 F N 0.398 120.055 119.950 -0.488 0.000 2.259 3377 F HA 0.117 4.630 4.527 -0.023 0.000 0.298 3377 F C 2.434 178.014 175.800 -0.366 0.000 1.088 3377 F CA 1.495 59.058 58.000 -0.727 0.000 1.358 3377 F CB -0.227 38.477 39.000 -0.494 0.000 1.040 3377 F HN 0.871 nan 8.300 nan 0.000 0.505 3378 E N -0.076 120.009 120.200 -0.191 0.000 2.150 3378 E HA -0.212 4.124 4.350 -0.022 0.000 0.193 3378 E C 1.567 178.015 176.600 -0.254 0.000 0.985 3378 E CA 1.501 57.779 56.400 -0.204 0.000 0.814 3378 E CB -0.139 29.514 29.700 -0.078 0.000 0.752 3378 E HN 0.411 nan 8.360 nan 0.000 0.466 3379 D N 0.286 120.563 120.400 -0.206 0.000 2.144 3379 D HA -0.121 4.506 4.640 -0.022 0.000 0.200 3379 D C 1.791 177.953 176.300 -0.230 0.000 0.978 3379 D CA 1.171 55.074 54.000 -0.162 0.000 0.833 3379 D CB -0.182 40.575 40.800 -0.073 0.000 0.961 3379 D HN 0.273 nan 8.370 nan 0.000 0.470 3380 A N 0.757 123.373 122.820 -0.339 0.000 2.015 3380 A HA -0.077 4.229 4.320 -0.022 0.000 0.219 3380 A C 2.484 179.792 177.584 -0.460 0.000 1.163 3380 A CA 0.813 52.629 52.037 -0.370 0.000 0.646 3380 A CB -0.435 18.319 19.000 -0.410 0.000 0.806 3380 A HN 0.132 nan 8.150 nan 0.000 0.448 3381 V N 0.750 120.329 119.914 -0.557 0.000 2.323 3381 V HA -0.190 3.916 4.120 -0.022 0.000 0.244 3381 V C 2.159 178.070 176.094 -0.306 0.000 1.041 3381 V CA 1.879 63.897 62.300 -0.469 0.000 1.025 3381 V CB -0.804 30.727 31.823 -0.486 0.000 0.656 3381 V HN 0.552 nan 8.190 nan 0.000 0.451 3382 N N 0.048 118.594 118.700 -0.255 0.000 2.270 3382 N HA 0.017 4.743 4.740 -0.022 0.000 0.181 3382 N C 1.779 177.185 175.510 -0.173 0.000 1.016 3382 N CA 1.318 54.258 53.050 -0.184 0.000 0.870 3382 N CB 0.022 38.421 38.487 -0.146 0.000 0.979 3382 N HN 0.436 nan 8.380 nan 0.000 0.431 3383 I N 0.108 120.560 120.570 -0.197 0.000 2.480 3383 I HA -0.130 4.027 4.170 -0.022 0.000 0.251 3383 I C 1.356 177.330 176.117 -0.237 0.000 1.124 3383 I CA 0.559 61.746 61.300 -0.188 0.000 1.444 3383 I CB 0.152 38.045 38.000 -0.179 0.000 1.098 3383 I HN -0.019 nan 8.210 nan 0.000 0.428 3384 L N 0.329 121.366 121.223 -0.310 0.000 2.375 3384 L HA 0.072 4.398 4.340 -0.022 0.000 0.215 3384 L C 0.881 177.605 176.870 -0.244 0.000 1.108 3384 L CA 0.621 55.236 54.840 -0.374 0.000 0.830 3384 L CB -0.442 41.293 42.059 -0.540 0.000 0.959 3384 L HN 0.100 nan 8.230 nan 0.000 0.457 3385 K N -0.995 119.278 120.400 -0.211 0.000 3.077 3385 K HA -0.163 4.144 4.320 -0.022 0.000 0.264 3385 K C -2.127 174.388 176.600 -0.142 0.000 1.008 3385 K CA 0.370 56.561 56.287 -0.161 0.000 0.740 3385 K CB -2.173 30.254 32.500 -0.122 0.000 1.273 3385 K HN 0.325 nan 8.250 nan 0.000 0.477 3386 P HA 0.009 nan 4.420 nan 0.000 0.270 3386 P C 0.782 178.004 177.300 -0.131 0.000 1.223 3386 P CA 0.174 63.205 63.100 -0.115 0.000 0.785 3386 P CB 0.767 32.397 31.700 -0.116 0.000 0.923 3387 S N -0.892 114.731 115.700 -0.128 0.000 2.502 3387 S HA 0.135 4.592 4.470 -0.022 0.000 0.215 3387 S C 0.650 175.146 174.600 -0.175 0.000 1.009 3387 S CA 0.194 58.291 58.200 -0.173 0.000 0.908 3387 S CB -0.172 62.874 63.200 -0.256 0.000 0.801 3387 S HN 0.509 nan 8.310 nan 0.000 0.505 3388 T N 1.825 116.286 114.554 -0.155 0.000 2.921 3388 T HA 0.665 5.002 4.350 -0.022 0.000 0.297 3388 T C -1.774 172.821 174.700 -0.175 0.000 1.013 3388 T CA -0.342 61.645 62.100 -0.188 0.000 0.990 3388 T CB 1.684 70.430 68.868 -0.204 0.000 1.023 3388 T HN 0.135 nan 8.240 nan 0.000 0.447 3389 I N 3.551 124.024 120.570 -0.162 0.000 2.509 3389 I HA 0.599 4.755 4.170 -0.022 0.000 0.293 3389 I C -1.041 175.117 176.117 0.068 0.000 1.020 3389 I CA -0.848 60.408 61.300 -0.072 0.000 1.088 3389 I CB 1.595 39.488 38.000 -0.177 0.000 1.267 3389 I HN 0.585 nan 8.210 nan 0.000 0.430 3390 I N 6.154 126.831 120.570 0.179 0.000 2.439 3390 I HA 0.430 4.587 4.170 -0.022 0.000 0.283 3390 I C 0.301 176.742 176.117 0.540 0.000 1.023 3390 I CA -0.578 60.938 61.300 0.359 0.000 1.100 3390 I CB 1.789 39.887 38.000 0.164 0.000 1.238 3390 I HN 0.657 nan 8.210 nan 0.000 0.445 3391 G N 4.563 113.646 108.800 0.472 0.000 2.333 3391 G HA2 0.441 4.387 3.960 -0.022 0.000 0.290 3391 G HA3 0.441 4.387 3.960 -0.022 0.000 0.290 3391 G C -0.360 174.581 174.900 0.068 0.000 1.150 3391 G CA -0.182 44.937 45.100 0.031 0.000 0.895 3391 G HN 0.448 nan 8.290 nan 0.000 0.444 3392 V N 2.021 121.982 119.914 0.080 0.000 3.076 3392 V HA 0.555 4.662 4.120 -0.022 0.000 0.374 3392 V C 0.580 176.689 176.094 0.024 0.000 1.303 3392 V CA 0.453 62.792 62.300 0.065 0.000 1.602 3392 V CB 0.309 32.206 31.823 0.122 0.000 1.167 3392 V HN 0.973 nan 8.190 nan 0.000 0.596 3393 A N 1.094 123.898 122.820 -0.026 0.000 2.287 3393 A HA 0.606 4.912 4.320 -0.022 0.000 0.214 3393 A C 1.800 179.361 177.584 -0.038 0.000 1.228 3393 A CA 0.642 52.666 52.037 -0.023 0.000 0.939 3393 A CB 0.094 19.075 19.000 -0.032 0.000 0.992 3393 A HN 1.900 nan 8.150 nan 0.000 0.502 3394 G N -0.472 108.294 108.800 -0.056 0.000 2.390 3394 G HA2 -0.030 3.916 3.960 -0.022 0.000 0.299 3394 G HA3 -0.030 3.916 3.960 -0.022 0.000 0.299 3394 G C 0.732 175.603 174.900 -0.048 0.000 1.002 3394 G CA 0.656 45.725 45.100 -0.051 0.000 0.979 3394 G HN 1.553 nan 8.290 nan 0.000 0.513 3395 A N -1.064 121.721 122.820 -0.058 0.000 2.469 3395 A HA 0.752 5.059 4.320 -0.022 0.000 0.245 3395 A C 1.621 179.177 177.584 -0.047 0.000 1.221 3395 A CA 1.310 53.319 52.037 -0.047 0.000 0.946 3395 A CB 0.355 19.330 19.000 -0.041 0.000 1.049 3395 A HN 2.541 nan 8.150 nan 0.000 0.529 3396 G N -0.338 108.426 108.800 -0.060 0.000 2.362 3396 G HA2 -0.010 3.937 3.960 -0.022 0.000 0.517 3396 G HA3 -0.010 3.937 3.960 -0.022 0.000 0.517 3396 G C -0.904 173.954 174.900 -0.070 0.000 1.256 3396 G CA -1.055 44.017 45.100 -0.047 0.000 1.027 3396 G HN 0.188 nan 8.290 nan 0.000 0.491 3397 R N 0.661 121.139 120.500 -0.036 0.000 3.641 3397 R HA 0.202 4.529 4.340 -0.022 0.000 0.189 3397 R C 1.130 177.418 176.300 -0.019 0.000 1.706 3397 R CA -0.217 55.865 56.100 -0.030 0.000 1.311 3397 R CB -0.812 29.492 30.300 0.006 0.000 1.330 3397 R HN 0.337 nan 8.270 nan 0.000 0.727 3398 L N 0.129 121.307 121.223 -0.076 0.000 2.509 3398 L HA 0.143 4.469 4.340 -0.022 0.000 0.222 3398 L C 0.918 177.897 176.870 0.182 0.000 1.123 3398 L CA 0.805 55.635 54.840 -0.017 0.000 0.856 3398 L CB -0.191 41.797 42.059 -0.119 0.000 0.985 3398 L HN 0.344 nan 8.230 nan 0.000 0.456 3399 F N 1.088 120.998 119.950 -0.067 0.000 2.606 3399 F HA 0.129 4.643 4.527 -0.023 0.000 0.347 3399 F C 1.192 176.990 175.800 -0.003 0.000 1.207 3399 F CA -0.989 57.002 58.000 -0.015 0.000 1.306 3399 F CB -0.257 38.747 39.000 0.006 0.000 1.657 3399 F HN 0.040 nan 8.300 nan 0.000 0.606 3400 T N -1.471 113.194 114.554 0.184 0.000 2.788 3400 T HA -0.036 4.301 4.350 -0.022 0.000 0.333 3400 T C -1.716 173.016 174.700 0.053 0.000 1.090 3400 T CA -1.162 60.992 62.100 0.090 0.000 1.094 3400 T CB 0.787 69.696 68.868 0.068 0.000 0.999 3400 T HN 0.114 nan 8.240 nan 0.000 0.549 3401 P HA -0.048 nan 4.420 nan 0.000 0.219 3401 P C 1.096 178.384 177.300 -0.020 0.000 1.146 3401 P CA 0.899 63.992 63.100 -0.012 0.000 0.808 3401 P CB 0.051 31.741 31.700 -0.016 0.000 0.779 3402 D N -1.505 118.889 120.400 -0.009 0.000 2.289 3402 D HA -0.026 4.601 4.640 -0.022 0.000 0.207 3402 D C 1.813 178.092 176.300 -0.036 0.000 0.966 3402 D CA 0.752 54.738 54.000 -0.024 0.000 0.868 3402 D CB 0.074 40.864 40.800 -0.017 0.000 0.943 3402 D HN 0.027 nan 8.370 nan 0.000 0.514 3403 V N 1.109 121.016 119.914 -0.012 0.000 2.591 3403 V HA -0.101 4.006 4.120 -0.022 0.000 0.249 3403 V C 2.399 178.442 176.094 -0.085 0.000 1.053 3403 V CA 0.765 63.047 62.300 -0.030 0.000 1.068 3403 V CB -0.023 31.851 31.823 0.084 0.000 0.689 3403 V HN 0.159 nan 8.190 nan 0.000 0.462 3404 I N -0.572 119.960 120.570 -0.063 0.000 2.500 3404 I HA -0.120 4.037 4.170 -0.022 0.000 0.252 3404 I C 2.702 178.761 176.117 -0.097 0.000 1.142 3404 I CA 1.111 62.355 61.300 -0.093 0.000 1.451 3404 I CB -0.329 37.622 38.000 -0.081 0.000 1.093 3404 I HN 0.198 nan 8.210 nan 0.000 0.430 3405 R N 1.117 121.570 120.500 -0.078 0.000 2.073 3405 R HA 0.066 4.393 4.340 -0.022 0.000 0.229 3405 R C 1.406 177.656 176.300 -0.083 0.000 1.120 3405 R CA 0.730 56.786 56.100 -0.074 0.000 0.967 3405 R CB -0.249 30.017 30.300 -0.058 0.000 0.862 3405 R HN 0.265 nan 8.270 nan 0.000 0.436 3409 S N 0.122 115.775 115.700 -0.079 0.000 2.371 3409 S HA 0.094 4.551 4.470 -0.022 0.000 0.219 3409 S C 1.830 176.386 174.600 -0.073 0.000 1.040 3409 S CA 1.277 59.435 58.200 -0.070 0.000 0.958 3409 S CB -0.407 62.750 63.200 -0.071 0.000 0.860 3409 S HN 0.433 nan 8.310 nan 0.000 0.487 3410 I N 1.813 122.329 120.570 -0.089 0.000 2.454 3410 I HA -0.039 4.118 4.170 -0.022 0.000 0.254 3410 I C 0.205 176.269 176.117 -0.089 0.000 1.156 3410 I CA 0.617 61.861 61.300 -0.093 0.000 1.433 3410 I CB -0.215 37.715 38.000 -0.116 0.000 1.082 3410 I HN 0.294 nan 8.210 nan 0.000 0.432 3411 N N 0.153 118.799 118.700 -0.089 0.000 2.240 3411 N HA 0.094 4.820 4.740 -0.022 0.000 0.302 3411 N C 0.539 176.009 175.510 -0.066 0.000 1.106 3411 N CA -0.331 52.668 53.050 -0.085 0.000 0.778 3411 N CB 2.144 40.569 38.487 -0.104 0.000 1.431 3411 N HN -0.119 nan 8.380 nan 0.000 0.479 3412 E N 1.140 121.308 120.200 -0.055 0.000 2.072 3412 E HA -0.035 4.301 4.350 -0.022 0.000 0.190 3412 E C -0.317 176.266 176.600 -0.028 0.000 0.982 3412 E CA 1.646 58.026 56.400 -0.035 0.000 0.803 3412 E CB 0.368 30.053 29.700 -0.025 0.000 0.755 3412 E HN 0.300 nan 8.360 nan 0.000 0.453 3413 R N 1.308 121.787 120.500 -0.035 0.000 2.547 3413 R HA 0.320 4.646 4.340 -0.022 0.000 0.280 3413 R C -2.490 173.781 176.300 -0.048 0.000 1.630 3413 R CA -2.145 53.941 56.100 -0.022 0.000 1.470 3413 R CB 0.839 31.142 30.300 0.006 0.000 1.178 3413 R HN 0.236 nan 8.270 nan 0.000 0.591 3414 P HA 0.063 nan 4.420 nan 0.000 0.268 3414 P C -0.082 177.174 177.300 -0.073 0.000 1.205 3414 P CA -0.159 62.886 63.100 -0.090 0.000 0.771 3414 P CB 1.264 32.902 31.700 -0.104 0.000 0.858 3415 V N 5.579 125.429 119.914 -0.107 0.000 2.333 3415 V HA 0.285 4.391 4.120 -0.022 0.000 0.274 3415 V C 0.623 176.646 176.094 -0.120 0.000 1.028 3415 V CA -0.295 61.929 62.300 -0.127 0.000 0.851 3415 V CB 0.373 32.049 31.823 -0.244 0.000 1.000 3415 V HN 0.400 nan 8.190 nan 0.000 0.456 3416 I N 5.706 126.325 120.570 0.083 0.000 2.389 3416 I HA 0.468 4.624 4.170 -0.022 0.000 0.288 3416 I C -1.085 175.449 176.117 0.695 0.000 0.999 3416 I CA -0.295 61.168 61.300 0.273 0.000 1.129 3416 I CB 1.599 39.751 38.000 0.253 0.000 1.288 3416 I HN 0.354 nan 8.210 nan 0.000 0.444 3417 F N 4.920 125.047 119.950 0.296 0.000 2.434 3417 F HA 0.502 5.015 4.527 -0.023 0.000 0.355 3417 F C 0.393 176.369 175.800 0.292 0.000 1.115 3417 F CA -1.565 56.554 58.000 0.199 0.000 1.010 3417 F CB 1.809 40.898 39.000 0.149 0.000 1.234 3417 F HN 0.405 nan 8.300 nan 0.000 0.439 3418 A N 5.576 128.592 122.820 0.327 0.000 2.582 3418 A HA 0.556 4.863 4.320 -0.022 0.000 0.336 3418 A C 0.487 178.101 177.584 0.050 0.000 1.445 3418 A CA -0.251 51.874 52.037 0.148 0.000 0.997 3418 A CB -0.124 19.041 19.000 0.275 0.000 1.148 3418 A HN 0.830 nan 8.150 nan 0.000 0.514 3419 L N 1.143 122.389 121.223 0.039 0.000 2.529 3419 L HA 0.075 4.401 4.340 -0.022 0.000 0.223 3419 L C 0.877 177.743 176.870 -0.006 0.000 1.113 3419 L CA 0.096 54.943 54.840 0.013 0.000 0.861 3419 L CB -0.066 42.033 42.059 0.067 0.000 1.012 3419 L HN 0.529 nan 8.230 nan 0.000 0.461 3420 S N 1.033 116.716 115.700 -0.028 0.000 2.568 3420 S HA 0.151 4.608 4.470 -0.022 0.000 0.282 3420 S C 0.104 174.679 174.600 -0.042 0.000 1.338 3420 S CA -0.135 58.041 58.200 -0.040 0.000 1.045 3420 S CB 0.393 63.553 63.200 -0.067 0.000 0.873 3420 S HN 0.263 nan 8.310 nan 0.000 0.516 3421 N N 2.366 121.033 118.700 -0.055 0.000 2.265 3421 N HA 0.519 5.245 4.740 -0.022 0.000 0.300 3421 N C -2.636 172.828 175.510 -0.076 0.000 1.148 3421 N CA -1.481 51.522 53.050 -0.079 0.000 0.772 3421 N CB 1.856 40.279 38.487 -0.108 0.000 1.434 3421 N HN 0.283 nan 8.380 nan 0.000 0.481 3422 P HA 0.163 nan 4.420 nan 0.000 0.318 3422 P C 0.541 177.793 177.300 -0.080 0.000 1.309 3422 P CA 0.044 63.083 63.100 -0.101 0.000 0.736 3422 P CB 0.375 32.015 31.700 -0.101 0.000 1.440 3423 T N -0.082 114.412 114.554 -0.099 0.000 2.699 3423 T HA -0.190 4.147 4.350 -0.022 0.000 0.268 3423 T C 1.929 176.643 174.700 0.023 0.000 1.036 3423 T CA 2.348 64.406 62.100 -0.069 0.000 1.147 3423 T CB -1.191 67.608 68.868 -0.115 0.000 0.862 3423 T HN 0.496 nan 8.240 nan 0.000 0.446 3424 A N 0.652 123.474 122.820 0.003 0.000 2.070 3424 A HA -0.088 4.218 4.320 -0.022 0.000 0.220 3424 A C 2.178 179.766 177.584 0.006 0.000 1.159 3424 A CA 1.253 53.299 52.037 0.015 0.000 0.656 3424 A CB -0.405 18.595 19.000 -0.001 0.000 0.800 3424 A HN 0.353 nan 8.150 nan 0.000 0.453 3425 Q N -0.847 118.947 119.800 -0.010 0.000 2.356 3425 Q HA 0.456 4.782 4.340 -0.022 0.000 0.205 3425 Q C 0.737 176.719 176.000 -0.031 0.000 0.901 3425 Q CA 0.527 56.315 55.803 -0.026 0.000 0.938 3425 Q CB -0.029 28.686 28.738 -0.039 0.000 1.081 3425 Q HN 0.590 nan 8.270 nan 0.000 0.517 3426 A N 0.507 123.332 122.820 0.009 0.000 2.520 3426 A HA 0.016 4.322 4.320 -0.022 0.000 0.235 3426 A C 0.790 178.354 177.584 -0.033 0.000 1.065 3426 A CA -0.063 51.994 52.037 0.034 0.000 0.764 3426 A CB 0.376 19.496 19.000 0.199 0.000 1.002 3426 A HN 0.174 nan 8.150 nan 0.000 0.502 3427 E N -0.193 119.909 120.200 -0.163 0.000 2.110 3427 E HA -0.016 4.320 4.350 -0.022 0.000 0.193 3427 E C 0.732 177.258 176.600 -0.124 0.000 0.988 3427 E CA 1.705 57.876 56.400 -0.381 0.000 0.804 3427 E CB -0.349 28.645 29.700 -1.178 0.000 0.745 3427 E HN 0.959 nan 8.360 nan 0.000 0.458 3428 C N -2.998 116.318 119.300 0.028 0.000 3.275 3428 C HA 0.685 5.131 4.460 -0.022 0.000 0.340 3428 C C 0.075 175.066 174.990 0.002 0.000 1.366 3428 C CA -0.589 58.456 59.018 0.045 0.000 1.227 3428 C CB 1.026 28.812 27.740 0.078 0.000 1.512 3428 C HN 0.294 nan 8.230 nan 0.000 0.461 3429 T N -0.809 113.592 114.554 -0.255 0.000 2.897 3429 T HA 0.679 5.016 4.350 -0.022 0.000 0.278 3429 T C 1.139 175.289 174.700 -0.916 0.000 0.981 3429 T CA 0.178 61.811 62.100 -0.779 0.000 0.973 3429 T CB 1.315 69.810 68.868 -0.621 0.000 1.092 3429 T HN 2.063 nan 8.240 nan 0.000 0.543 3430 A N 0.061 122.246 122.820 -1.059 0.000 1.929 3430 A HA 0.011 4.317 4.320 -0.022 0.000 0.216 3430 A C 2.306 179.711 177.584 -0.298 0.000 1.176 3430 A CA 0.852 52.530 52.037 -0.598 0.000 0.628 3430 A CB -0.850 18.184 19.000 0.057 0.000 0.816 3430 A HN 0.887 nan 8.150 nan 0.000 0.444 3431 E N 0.408 120.457 120.200 -0.251 0.000 2.038 3431 E HA -0.222 4.115 4.350 -0.022 0.000 0.195 3431 E C 1.945 178.454 176.600 -0.151 0.000 1.000 3431 E CA 1.687 58.019 56.400 -0.112 0.000 0.803 3431 E CB -0.377 29.269 29.700 -0.089 0.000 0.750 3431 E HN 0.782 nan 8.360 nan 0.000 0.448 3432 E N 0.928 120.990 120.200 -0.230 0.000 2.031 3432 E HA -0.172 4.165 4.350 -0.022 0.000 0.193 3432 E C 2.137 178.573 176.600 -0.274 0.000 0.994 3432 E CA 1.016 57.294 56.400 -0.204 0.000 0.800 3432 E CB -0.238 29.352 29.700 -0.183 0.000 0.752 3432 E HN 0.200 nan 8.360 nan 0.000 0.447 3433 A N 1.278 123.807 122.820 -0.484 0.000 1.848 3433 A HA -0.264 4.043 4.320 -0.022 0.000 0.217 3433 A C 2.078 179.350 177.584 -0.520 0.000 1.220 3433 A CA 1.993 53.646 52.037 -0.640 0.000 0.645 3433 A CB -1.380 16.820 19.000 -1.332 0.000 0.842 3433 A HN 0.321 nan 8.150 nan 0.000 0.451 3434 Y N 0.270 120.330 120.300 -0.400 0.000 2.097 3434 Y HA -0.210 4.327 4.550 -0.023 0.000 0.282 3434 Y C 3.118 178.852 175.900 -0.277 0.000 1.152 3434 Y CA 1.876 59.734 58.100 -0.403 0.000 1.136 3434 Y CB -1.120 37.055 38.460 -0.476 0.000 0.975 3434 Y HN 0.314 nan 8.280 nan 0.000 0.498 3435 T N 0.844 115.376 114.554 -0.037 0.000 2.607 3435 T HA -0.222 4.114 4.350 -0.022 0.000 0.267 3435 T C 1.972 176.636 174.700 -0.061 0.000 1.049 3435 T CA 1.760 63.839 62.100 -0.034 0.000 1.162 3435 T CB -0.763 68.087 68.868 -0.030 0.000 0.863 3435 T HN 0.229 nan 8.240 nan 0.000 0.424 3436 L N 1.242 122.410 121.223 -0.092 0.000 2.261 3436 L HA -0.077 4.250 4.340 -0.022 0.000 0.216 3436 L C 2.550 179.366 176.870 -0.091 0.000 1.114 3436 L CA 1.453 56.241 54.840 -0.086 0.000 0.777 3436 L CB -0.885 41.116 42.059 -0.096 0.000 0.910 3436 L HN 0.476 nan 8.230 nan 0.000 0.440 3437 T N -4.761 109.722 114.554 -0.118 0.000 3.134 3437 T HA 0.166 4.503 4.350 -0.022 0.000 0.260 3437 T C 0.506 175.157 174.700 -0.082 0.000 1.027 3437 T CA -0.318 61.716 62.100 -0.111 0.000 0.913 3437 T CB 0.054 68.830 68.868 -0.153 0.000 1.046 3437 T HN 0.334 nan 8.240 nan 0.000 0.553 3438 E N 0.589 120.753 120.200 -0.060 0.000 2.389 3438 E HA -0.169 4.167 4.350 -0.022 0.000 0.243 3438 E C 0.953 177.545 176.600 -0.014 0.000 1.154 3438 E CA 0.483 56.873 56.400 -0.017 0.000 0.723 3438 E CB -1.920 27.780 29.700 -0.000 0.000 1.261 3438 E HN 0.931 nan 8.360 nan 0.000 0.390 3439 G N -0.127 108.598 108.800 -0.126 0.000 2.179 3439 G HA2 -0.411 3.535 3.960 -0.022 0.000 0.257 3439 G HA3 -0.411 3.535 3.960 -0.022 0.000 0.257 3439 G C 0.638 175.458 174.900 -0.133 0.000 1.010 3439 G CA 0.670 45.549 45.100 -0.369 0.000 0.736 3439 G HN 0.412 nan 8.290 nan 0.000 0.513 3440 R N -0.705 119.749 120.500 -0.077 0.000 2.362 3440 R HA 0.229 4.556 4.340 -0.022 0.000 0.227 3440 R C 1.708 177.991 176.300 -0.029 0.000 0.905 3440 R CA 0.607 56.702 56.100 -0.010 0.000 1.067 3440 R CB 0.009 30.300 30.300 -0.014 0.000 1.078 3440 R HN 0.734 nan 8.270 nan 0.000 0.516 3441 C N -0.706 118.532 119.300 -0.103 0.000 2.351 3441 C HA 0.603 5.049 4.460 -0.022 0.000 0.359 3441 C C 0.290 175.282 174.990 0.003 0.000 1.193 3441 C CA -1.286 57.672 59.018 -0.101 0.000 2.270 3441 C CB 0.313 27.918 27.740 -0.225 0.000 2.369 3441 C HN 0.161 nan 8.230 nan 0.000 0.553 3442 L N 2.488 123.757 121.223 0.076 0.000 2.277 3442 L HA 0.475 4.802 4.340 -0.022 0.000 0.284 3442 L C -0.469 176.586 176.870 0.308 0.000 1.028 3442 L CA -0.055 54.906 54.840 0.202 0.000 0.835 3442 L CB 0.605 42.762 42.059 0.163 0.000 1.215 3442 L HN 0.728 nan 8.230 nan 0.000 0.425 3443 F N 3.488 123.505 119.950 0.111 0.000 2.492 3443 F HA 0.826 5.340 4.527 -0.022 0.000 0.327 3443 F C -0.224 175.698 175.800 0.202 0.000 1.079 3443 F CA -0.672 57.394 58.000 0.110 0.000 0.967 3443 F CB 1.704 40.537 39.000 -0.278 0.000 1.169 3443 F HN 0.405 nan 8.300 nan 0.000 0.472 3444 A N 2.862 125.151 122.820 -0.886 0.000 2.549 3444 A HA 0.771 5.077 4.320 -0.022 0.000 0.297 3444 A C -1.414 175.513 177.584 -1.095 0.000 1.061 3444 A CA -0.203 51.305 52.037 -0.882 0.000 0.690 3444 A CB 1.366 19.715 19.000 -1.085 0.000 1.287 3444 A HN 1.086 nan 8.150 nan 0.000 0.402 3445 S N -0.139 115.207 115.700 -0.591 0.000 2.588 3445 S HA 0.703 5.160 4.470 -0.022 0.000 0.275 3445 S C 0.807 175.324 174.600 -0.139 0.000 1.130 3445 S CA -0.085 57.959 58.200 -0.259 0.000 0.855 3445 S CB 1.348 64.616 63.200 0.113 0.000 1.116 3445 S HN 1.743 nan 8.310 nan 0.000 0.472 3446 G N 0.905 109.661 108.800 -0.072 0.000 2.394 3446 G HA2 0.172 4.119 3.960 -0.022 0.000 0.214 3446 G HA3 0.172 4.119 3.960 -0.022 0.000 0.214 3446 G C 0.364 175.215 174.900 -0.082 0.000 1.176 3446 G CA 0.355 45.415 45.100 -0.066 0.000 0.786 3446 G HN 0.719 nan 8.290 nan 0.000 0.533 3447 S N 1.408 117.031 115.700 -0.129 0.000 2.654 3447 S HA 0.518 4.975 4.470 -0.022 0.000 0.283 3447 S C -2.493 171.926 174.600 -0.303 0.000 1.180 3447 S CA -1.003 57.067 58.200 -0.217 0.000 1.021 3447 S CB 2.210 65.238 63.200 -0.286 0.000 1.018 3447 S HN 0.131 nan 8.310 nan 0.000 0.532 3448 P HA 0.364 nan 4.420 nan 0.000 0.275 3448 P C -1.330 175.767 177.300 -0.338 0.000 1.227 3448 P CA -0.160 62.836 63.100 -0.174 0.000 0.781 3448 P CB 0.286 31.955 31.700 -0.052 0.000 0.906 3449 F N 0.375 120.408 119.950 0.139 0.000 2.556 3449 F HA 0.464 4.977 4.527 -0.023 0.000 0.314 3449 F C 1.264 177.154 175.800 0.150 0.000 1.106 3449 F CA -0.657 57.438 58.000 0.159 0.000 0.911 3449 F CB 2.069 41.213 39.000 0.239 0.000 1.190 3449 F HN 0.326 nan 8.300 nan 0.000 0.448 3450 G N 2.134 111.129 108.800 0.324 0.000 2.684 3450 G HA2 0.388 4.334 3.960 -0.022 0.000 0.255 3450 G HA3 0.388 4.334 3.960 -0.022 0.000 0.255 3450 G C -2.491 172.538 174.900 0.215 0.000 1.219 3450 G CA -0.946 44.282 45.100 0.213 0.000 0.901 3450 G HN 0.350 nan 8.290 nan 0.000 0.548 3451 P HA 0.256 nan 4.420 nan 0.000 0.273 3451 P C -0.751 176.604 177.300 0.092 0.000 1.250 3451 P CA -0.273 62.897 63.100 0.117 0.000 0.793 3451 P CB 1.133 32.875 31.700 0.070 0.000 1.011 3452 V N 1.099 121.042 119.914 0.047 0.000 2.487 3452 V HA 0.347 4.454 4.120 -0.022 0.000 0.298 3452 V C 0.298 176.422 176.094 0.051 0.000 1.028 3452 V CA -0.521 61.806 62.300 0.045 0.000 0.860 3452 V CB 1.448 33.289 31.823 0.030 0.000 0.991 3452 V HN 0.531 nan 8.190 nan 0.000 0.427 3453 K N 5.638 126.069 120.400 0.051 0.000 2.367 3453 K HA 0.619 4.925 4.320 -0.022 0.000 0.263 3453 K C -0.831 175.806 176.600 0.062 0.000 1.000 3453 K CA -0.569 55.743 56.287 0.043 0.000 0.891 3453 K CB 0.918 33.430 32.500 0.019 0.000 1.117 3453 K HN 0.626 nan 8.250 nan 0.000 0.443 3454 L N 2.819 124.100 121.223 0.097 0.000 2.466 3454 L HA 0.131 4.458 4.340 -0.022 0.000 0.257 3454 L C 2.056 178.959 176.870 0.056 0.000 1.189 3454 L CA -0.338 54.557 54.840 0.092 0.000 0.813 3454 L CB 0.888 43.035 42.059 0.147 0.000 1.118 3454 L HN 0.849 nan 8.230 nan 0.000 0.471 3455 T N -2.557 112.024 114.554 0.045 0.000 2.737 3455 T HA -0.232 4.105 4.350 -0.022 0.000 0.269 3455 T C 1.136 175.853 174.700 0.028 0.000 1.040 3455 T CA 1.557 63.675 62.100 0.030 0.000 1.142 3455 T CB -0.616 68.267 68.868 0.025 0.000 0.861 3455 T HN 0.828 nan 8.240 nan 0.000 0.456 3456 D N 1.091 121.513 120.400 0.036 0.000 2.310 3456 D HA 0.242 4.869 4.640 -0.022 0.000 0.212 3456 D C 1.771 178.081 176.300 0.017 0.000 0.965 3456 D CA 1.076 55.093 54.000 0.029 0.000 0.879 3456 D CB -0.672 40.151 40.800 0.040 0.000 0.921 3456 D HN 0.677 nan 8.370 nan 0.000 0.510 3457 G N -0.254 108.556 108.800 0.016 0.000 2.436 3457 G HA2 -0.268 3.679 3.960 -0.022 0.000 0.204 3457 G HA3 -0.268 3.679 3.960 -0.022 0.000 0.204 3457 G C 0.185 175.065 174.900 -0.033 0.000 1.026 3457 G CA -0.299 44.798 45.100 -0.006 0.000 0.658 3457 G HN 0.361 nan 8.290 nan 0.000 0.499 3458 R N 0.634 121.110 120.500 -0.040 0.000 2.481 3458 R HA 0.292 4.619 4.340 -0.022 0.000 0.291 3458 R C -0.176 175.992 176.300 -0.220 0.000 0.934 3458 R CA 0.507 56.515 56.100 -0.154 0.000 1.116 3458 R CB 0.558 30.800 30.300 -0.097 0.000 0.895 3458 R HN 0.159 nan 8.270 nan 0.000 0.410 3459 V N 5.829 125.529 119.914 -0.357 0.000 2.370 3459 V HA 0.311 4.418 4.120 -0.022 0.000 0.283 3459 V C -0.387 175.397 176.094 -0.517 0.000 1.023 3459 V CA -0.422 61.703 62.300 -0.292 0.000 0.857 3459 V CB 0.688 32.414 31.823 -0.162 0.000 0.985 3459 V HN 0.461 nan 8.190 nan 0.000 0.443 3460 F N 2.053 121.854 119.950 -0.248 0.000 2.450 3460 F HA 0.544 5.057 4.527 -0.023 0.000 0.332 3460 F C 0.787 176.434 175.800 -0.255 0.000 1.093 3460 F CA -0.453 57.310 58.000 -0.396 0.000 1.003 3460 F CB 2.048 40.396 39.000 -1.085 0.000 1.151 3460 F HN 0.288 nan 8.300 nan 0.000 0.474 3461 T N 4.880 119.472 114.554 0.064 0.000 3.053 3461 T HA 0.268 4.605 4.350 -0.022 0.000 0.363 3461 T C -2.603 172.253 174.700 0.261 0.000 1.239 3461 T CA -1.431 60.750 62.100 0.136 0.000 1.071 3461 T CB 0.599 69.528 68.868 0.101 0.000 1.089 3461 T HN 0.223 nan 8.240 nan 0.000 0.527 3462 P HA 0.225 nan 4.420 nan 0.000 0.269 3462 P C 0.325 177.812 177.300 0.312 0.000 1.209 3462 P CA -0.033 63.357 63.100 0.484 0.000 0.776 3462 P CB 0.822 32.923 31.700 0.668 0.000 0.876 3463 G N 1.417 110.371 108.800 0.257 0.000 2.488 3463 G HA2 0.329 4.275 3.960 -0.022 0.000 0.318 3463 G HA3 0.329 4.275 3.960 -0.022 0.000 0.318 3463 G C -1.042 173.926 174.900 0.114 0.000 1.188 3463 G CA -0.519 44.730 45.100 0.248 0.000 0.944 3463 G HN 0.559 nan 8.290 nan 0.000 0.495 3464 Q N 0.087 119.911 119.800 0.040 0.000 2.425 3464 Q HA 0.431 4.758 4.340 -0.022 0.000 0.254 3464 Q C 0.271 176.068 176.000 -0.338 0.000 1.032 3464 Q CA -0.657 55.107 55.803 -0.066 0.000 0.798 3464 Q CB 0.895 29.667 28.738 0.058 0.000 1.210 3464 Q HN 0.600 nan 8.270 nan 0.000 0.491 3465 G N 4.161 112.725 108.800 -0.394 0.000 2.985 3465 G HA2 0.038 3.984 3.960 -0.022 0.000 0.282 3465 G HA3 0.038 3.984 3.960 -0.022 0.000 0.282 3465 G C -0.387 174.393 174.900 -0.200 0.000 0.791 3465 G CA -0.187 44.625 45.100 -0.479 0.000 1.934 3465 G HN 0.505 nan 8.290 nan 0.000 0.563 3466 N N 1.355 119.994 118.700 -0.102 0.000 2.238 3466 N HA 0.043 4.770 4.740 -0.022 0.000 0.302 3466 N C 0.857 176.445 175.510 0.130 0.000 1.072 3466 N CA -0.694 52.391 53.050 0.059 0.000 0.792 3466 N CB 1.435 39.996 38.487 0.123 0.000 1.425 3466 N HN 0.247 nan 8.380 nan 0.000 0.478 3467 N N 2.011 120.834 118.700 0.204 0.000 2.635 3467 N HA -0.120 4.607 4.740 -0.022 0.000 0.191 3467 N C 1.272 176.900 175.510 0.197 0.000 1.155 3467 N CA 0.375 53.584 53.050 0.264 0.000 0.927 3467 N CB -0.184 38.520 38.487 0.361 0.000 0.976 3467 N HN 0.272 nan 8.380 nan 0.000 0.448 3468 V N -0.591 119.348 119.914 0.042 0.000 2.759 3468 V HA -0.129 3.977 4.120 -0.022 0.000 0.256 3468 V C 1.024 176.786 176.094 -0.553 0.000 1.080 3468 V CA 1.177 63.180 62.300 -0.495 0.000 1.101 3468 V CB -0.743 30.825 31.823 -0.426 0.000 0.698 3468 V HN 0.274 nan 8.190 nan 0.000 0.477 3469 Y N -0.966 119.169 120.300 -0.275 0.000 2.516 3469 Y HA 0.024 4.561 4.550 -0.023 0.000 0.291 3469 Y C 2.044 177.840 175.900 -0.173 0.000 1.131 3469 Y CA 1.015 58.988 58.100 -0.212 0.000 1.281 3469 Y CB 0.350 38.715 38.460 -0.159 0.000 1.013 3469 Y HN 0.240 nan 8.280 nan 0.000 0.554 3470 I N -1.746 118.816 120.570 -0.013 0.000 3.132 3470 I HA -0.121 4.035 4.170 -0.022 0.000 0.255 3470 I C 2.143 178.269 176.117 0.016 0.000 1.118 3470 I CA 0.629 61.959 61.300 0.049 0.000 1.463 3470 I CB -1.447 36.677 38.000 0.206 0.000 1.356 3470 I HN 0.175 nan 8.210 nan 0.000 0.463 3471 F N 2.272 122.294 119.950 0.121 0.000 2.236 3471 F HA -0.012 4.501 4.527 -0.023 0.000 0.302 3471 F C -0.859 174.861 175.800 -0.133 0.000 1.073 3471 F CA 0.848 58.911 58.000 0.106 0.000 1.336 3471 F CB -2.741 36.456 39.000 0.329 0.000 1.040 3471 F HN 0.092 nan 8.300 nan 0.000 0.507 3472 P HA 0.023 nan 4.420 nan 0.000 0.214 3472 P C 2.147 179.298 177.300 -0.249 0.000 1.162 3472 P CA 2.242 65.137 63.100 -0.342 0.000 0.874 3472 P CB -0.408 31.056 31.700 -0.394 0.000 0.784 3473 G N -0.171 108.517 108.800 -0.187 0.000 2.421 3473 G HA2 -0.221 3.726 3.960 -0.022 0.000 0.216 3473 G HA3 -0.221 3.726 3.960 -0.022 0.000 0.216 3473 G C 1.607 176.427 174.900 -0.133 0.000 1.171 3473 G CA 0.878 45.901 45.100 -0.128 0.000 0.775 3473 G HN 0.120 nan 8.290 nan 0.000 0.543 3474 V N 1.681 121.501 119.914 -0.156 0.000 2.295 3474 V HA -0.142 3.964 4.120 -0.022 0.000 0.246 3474 V C 3.344 179.311 176.094 -0.211 0.000 1.049 3474 V CA 2.054 64.216 62.300 -0.229 0.000 1.024 3474 V CB -1.057 30.552 31.823 -0.357 0.000 0.648 3474 V HN 0.478 nan 8.190 nan 0.000 0.447 3475 A N 0.035 122.736 122.820 -0.198 0.000 1.883 3475 A HA -0.230 4.077 4.320 -0.022 0.000 0.217 3475 A C 2.195 179.714 177.584 -0.109 0.000 1.186 3475 A CA 2.247 54.194 52.037 -0.150 0.000 0.624 3475 A CB -0.664 18.141 19.000 -0.324 0.000 0.822 3475 A HN 0.470 nan 8.150 nan 0.000 0.444 3476 L N -0.478 120.664 121.223 -0.136 0.000 2.083 3476 L HA -0.067 4.260 4.340 -0.022 0.000 0.209 3476 L C 2.571 179.425 176.870 -0.026 0.000 1.083 3476 L CA 2.194 56.990 54.840 -0.073 0.000 0.752 3476 L CB -0.598 41.413 42.059 -0.080 0.000 0.899 3476 L HN 0.342 nan 8.230 nan 0.000 0.433 3477 A N -1.454 121.346 122.820 -0.033 0.000 1.898 3477 A HA -0.046 4.261 4.320 -0.022 0.000 0.214 3477 A C 2.215 179.807 177.584 0.013 0.000 1.183 3477 A CA 1.445 53.490 52.037 0.013 0.000 0.622 3477 A CB -0.948 18.050 19.000 -0.004 0.000 0.824 3477 A HN 0.247 nan 8.150 nan 0.000 0.444 3478 V N 0.467 120.361 119.914 -0.033 0.000 2.287 3478 V HA -0.307 3.800 4.120 -0.022 0.000 0.248 3478 V C 2.440 178.546 176.094 0.020 0.000 1.053 3478 V CA 2.269 64.557 62.300 -0.020 0.000 1.027 3478 V CB -0.705 31.091 31.823 -0.045 0.000 0.646 3478 V HN 0.572 nan 8.190 nan 0.000 0.447 3479 I N -0.476 120.110 120.570 0.026 0.000 2.226 3479 I HA -0.231 3.925 4.170 -0.022 0.000 0.245 3479 I C 2.150 178.309 176.117 0.071 0.000 1.100 3479 I CA 1.513 62.837 61.300 0.041 0.000 1.374 3479 I CB -0.267 37.754 38.000 0.034 0.000 1.057 3479 I HN 0.252 nan 8.210 nan 0.000 0.413 3480 L N -0.384 120.891 121.223 0.087 0.000 2.456 3480 L HA -0.156 4.171 4.340 -0.022 0.000 0.224 3480 L C 1.802 178.835 176.870 0.271 0.000 1.148 3480 L CA 0.481 55.419 54.840 0.163 0.000 0.825 3480 L CB -0.459 41.688 42.059 0.147 0.000 0.937 3480 L HN 0.415 nan 8.230 nan 0.000 0.450 3481 C N -0.689 118.705 119.300 0.157 0.000 3.038 3481 C HA 0.180 4.627 4.460 -0.022 0.000 0.279 3481 C C 1.118 176.155 174.990 0.080 0.000 1.276 3481 C CA -0.503 58.560 59.018 0.075 0.000 1.697 3481 C CB -1.267 26.424 27.740 -0.083 0.000 2.032 3481 C HN 0.645 nan 8.230 nan 0.000 0.636 3482 N N 0.688 119.448 118.700 0.101 0.000 2.735 3482 N HA -0.145 4.582 4.740 -0.022 0.000 0.248 3482 N C -0.313 175.244 175.510 0.079 0.000 1.083 3482 N CA 0.570 53.676 53.050 0.094 0.000 0.703 3482 N CB -1.113 37.463 38.487 0.148 0.000 1.005 3482 N HN 0.462 nan 8.380 nan 0.000 0.550 3483 T N -0.197 114.393 114.554 0.059 0.000 2.940 3483 T HA 0.066 4.402 4.350 -0.022 0.000 0.309 3483 T C 1.557 176.220 174.700 -0.061 0.000 1.056 3483 T CA 0.073 62.209 62.100 0.060 0.000 1.137 3483 T CB 1.070 69.960 68.868 0.036 0.000 0.976 3483 T HN 0.217 nan 8.240 nan 0.000 0.547 3484 R N 0.928 121.337 120.500 -0.153 0.000 2.146 3484 R HA 0.137 4.463 4.340 -0.022 0.000 0.206 3484 R C 0.054 175.996 176.300 -0.597 0.000 1.049 3484 R CA 0.605 56.442 56.100 -0.438 0.000 1.029 3484 R CB 0.244 30.175 30.300 -0.616 0.000 0.949 3484 R HN 0.680 nan 8.270 nan 0.000 0.471 3485 H N -0.973 118.130 119.070 0.055 0.000 2.930 3485 H HA 0.405 4.946 4.556 -0.025 0.000 0.371 3485 H C -1.069 174.321 175.328 0.103 0.000 1.169 3485 H CA -0.708 55.395 56.048 0.090 0.000 1.157 3485 H CB 2.233 32.043 29.762 0.079 0.000 1.789 3485 H HN -0.115 nan 8.280 nan 0.000 0.547 3486 I N 2.322 123.044 120.570 0.254 0.000 2.354 3486 I HA 0.300 4.457 4.170 -0.022 0.000 0.292 3486 I C 0.146 176.398 176.117 0.225 0.000 0.989 3486 I CA -0.567 60.842 61.300 0.181 0.000 1.188 3486 I CB 1.377 39.472 38.000 0.159 0.000 1.342 3486 I HN 0.587 nan 8.210 nan 0.000 0.457 3487 S N 2.985 118.794 115.700 0.182 0.000 2.690 3487 S HA 0.305 4.762 4.470 -0.022 0.000 0.291 3487 S C 0.498 175.249 174.600 0.251 0.000 1.138 3487 S CA -0.795 57.526 58.200 0.202 0.000 1.013 3487 S CB 1.797 65.101 63.200 0.172 0.000 1.053 3487 S HN 0.562 nan 8.310 nan 0.000 0.539 3488 D N 1.220 121.781 120.400 0.268 0.000 2.310 3488 D HA -0.031 4.596 4.640 -0.022 0.000 0.212 3488 D C 1.655 178.098 176.300 0.238 0.000 0.965 3488 D CA 0.878 55.082 54.000 0.340 0.000 0.879 3488 D CB -0.325 40.614 40.800 0.232 0.000 0.921 3488 D HN 0.555 nan 8.370 nan 0.000 0.510 3489 S N 0.212 115.997 115.700 0.141 0.000 2.399 3489 S HA -0.100 4.356 4.470 -0.022 0.000 0.231 3489 S C 2.376 176.853 174.600 -0.205 0.000 1.022 3489 S CA 0.413 58.635 58.200 0.037 0.000 0.983 3489 S CB -0.133 63.168 63.200 0.167 0.000 0.803 3489 S HN 0.137 nan 8.310 nan 0.000 0.480 3490 V N 1.257 121.054 119.914 -0.196 0.000 2.295 3490 V HA -0.172 3.935 4.120 -0.022 0.000 0.246 3490 V C 1.917 177.741 176.094 -0.449 0.000 1.049 3490 V CA 1.751 63.793 62.300 -0.429 0.000 1.024 3490 V CB -0.969 30.574 31.823 -0.467 0.000 0.648 3490 V HN 0.431 nan 8.190 nan 0.000 0.447 3491 F N -0.572 119.321 119.950 -0.094 0.000 2.171 3491 F HA -0.151 4.364 4.527 -0.020 0.000 0.300 3491 F C 2.246 178.015 175.800 -0.051 0.000 1.090 3491 F CA 1.453 59.423 58.000 -0.051 0.000 1.293 3491 F CB -0.453 38.554 39.000 0.010 0.000 1.013 3491 F HN 0.049 nan 8.300 nan 0.000 0.486 3492 L N 0.059 121.324 121.223 0.070 0.000 2.017 3492 L HA -0.232 4.094 4.340 -0.022 0.000 0.208 3492 L C 2.563 179.391 176.870 -0.071 0.000 1.073 3492 L CA 1.657 56.510 54.840 0.022 0.000 0.745 3492 L CB -0.284 41.778 42.059 0.006 0.000 0.894 3492 L HN 0.118 nan 8.230 nan 0.000 0.432 3493 E N 0.308 120.368 120.200 -0.234 0.000 2.051 3493 E HA -0.222 4.115 4.350 -0.022 0.000 0.192 3493 E C 1.997 178.509 176.600 -0.147 0.000 0.991 3493 E CA 1.796 58.025 56.400 -0.284 0.000 0.799 3493 E CB -0.237 29.078 29.700 -0.641 0.000 0.748 3493 E HN 0.509 nan 8.360 nan 0.000 0.449 3494 A N 0.955 123.689 122.820 -0.143 0.000 1.883 3494 A HA -0.100 4.207 4.320 -0.022 0.000 0.217 3494 A C 2.485 180.075 177.584 0.010 0.000 1.186 3494 A CA 2.418 54.416 52.037 -0.065 0.000 0.624 3494 A CB -1.228 17.728 19.000 -0.074 0.000 0.822 3494 A HN 0.405 nan 8.150 nan 0.000 0.444 3495 A N -0.070 122.775 122.820 0.043 0.000 1.873 3495 A HA -0.260 4.047 4.320 -0.022 0.000 0.218 3495 A C 2.135 179.747 177.584 0.047 0.000 1.193 3495 A CA 2.123 54.207 52.037 0.078 0.000 0.629 3495 A CB -0.564 18.495 19.000 0.098 0.000 0.826 3495 A HN 0.569 nan 8.150 nan 0.000 0.447 3496 K N -0.615 119.796 120.400 0.018 0.000 2.057 3496 K HA -0.040 4.267 4.320 -0.022 0.000 0.207 3496 K C 2.327 178.934 176.600 0.013 0.000 1.049 3496 K CA 1.058 57.351 56.287 0.011 0.000 0.931 3496 K CB -0.336 32.164 32.500 -0.001 0.000 0.714 3496 K HN 0.465 nan 8.250 nan 0.000 0.440 3497 A N 1.548 124.371 122.820 0.006 0.000 1.902 3497 A HA -0.164 4.143 4.320 -0.022 0.000 0.217 3497 A C 2.101 179.701 177.584 0.028 0.000 1.181 3497 A CA 1.189 53.234 52.037 0.013 0.000 0.623 3497 A CB -0.496 18.506 19.000 0.003 0.000 0.818 3497 A HN 0.250 nan 8.150 nan 0.000 0.443 3498 L N -0.656 120.592 121.223 0.040 0.000 1.994 3498 L HA -0.104 4.223 4.340 -0.022 0.000 0.208 3498 L C 2.498 179.394 176.870 0.042 0.000 1.071 3498 L CA 2.966 57.841 54.840 0.059 0.000 0.745 3498 L CB -1.258 40.852 42.059 0.085 0.000 0.892 3498 L HN 0.344 nan 8.230 nan 0.000 0.431 3499 T N -1.491 113.079 114.554 0.026 0.000 2.833 3499 T HA -0.154 4.183 4.350 -0.022 0.000 0.269 3499 T C 2.146 176.847 174.700 0.003 0.000 1.054 3499 T CA 1.549 63.647 62.100 -0.005 0.000 1.135 3499 T CB -0.484 68.373 68.868 -0.018 0.000 0.869 3499 T HN 0.732 nan 8.240 nan 0.000 0.466 3500 S N 0.614 116.322 115.700 0.013 0.000 2.440 3500 S HA -0.127 4.330 4.470 -0.022 0.000 0.238 3500 S C 1.857 176.469 174.600 0.019 0.000 1.010 3500 S CA 1.013 59.222 58.200 0.015 0.000 0.972 3500 S CB -0.498 62.712 63.200 0.018 0.000 0.774 3500 S HN 0.720 nan 8.310 nan 0.000 0.501 3501 Q N 0.025 119.840 119.800 0.025 0.000 2.425 3501 Q HA 0.340 4.667 4.340 -0.022 0.000 0.204 3501 Q C 0.296 176.315 176.000 0.032 0.000 0.933 3501 Q CA -0.081 55.742 55.803 0.032 0.000 0.939 3501 Q CB 0.034 28.799 28.738 0.046 0.000 1.044 3501 Q HN 0.561 nan 8.270 nan 0.000 0.513 3502 L N 2.934 124.169 121.223 0.021 0.000 2.361 3502 L HA 0.114 4.440 4.340 -0.022 0.000 0.278 3502 L C 0.300 177.180 176.870 0.017 0.000 1.113 3502 L CA -0.264 54.586 54.840 0.018 0.000 0.849 3502 L CB 0.774 42.829 42.059 -0.008 0.000 1.155 3502 L HN 0.080 nan 8.230 nan 0.000 0.452 3503 T N -0.245 114.323 114.554 0.023 0.000 2.913 3503 T HA 0.167 4.503 4.350 -0.022 0.000 0.287 3503 T C 0.826 175.537 174.700 0.019 0.000 1.008 3503 T CA -0.816 61.296 62.100 0.020 0.000 1.067 3503 T CB 1.217 70.097 68.868 0.022 0.000 0.996 3503 T HN 0.583 nan 8.240 nan 0.000 0.513 3504 D N 1.591 122.001 120.400 0.017 0.000 2.137 3504 D HA -0.156 4.470 4.640 -0.022 0.000 0.189 3504 D C 1.862 178.173 176.300 0.019 0.000 0.998 3504 D CA 1.783 55.794 54.000 0.017 0.000 0.839 3504 D CB -0.503 40.306 40.800 0.015 0.000 0.962 3504 D HN 0.804 nan 8.370 nan 0.000 0.446 3505 E N 0.581 120.791 120.200 0.016 0.000 2.233 3505 E HA -0.179 4.157 4.350 -0.022 0.000 0.199 3505 E C 1.810 178.422 176.600 0.019 0.000 1.004 3505 E CA 0.954 57.362 56.400 0.015 0.000 0.819 3505 E CB -0.192 29.515 29.700 0.012 0.000 0.738 3505 E HN 0.496 nan 8.360 nan 0.000 0.478 3506 E N -0.294 119.922 120.200 0.026 0.000 2.427 3506 E HA -0.035 4.302 4.350 -0.022 0.000 0.196 3506 E C 1.638 178.264 176.600 0.043 0.000 1.028 3506 E CA 0.246 56.667 56.400 0.036 0.000 0.864 3506 E CB 0.074 29.799 29.700 0.041 0.000 0.813 3506 E HN 0.313 nan 8.360 nan 0.000 0.514 3507 L N 0.329 121.575 121.223 0.038 0.000 2.270 3507 L HA 0.008 4.334 4.340 -0.022 0.000 0.210 3507 L C 2.538 179.444 176.870 0.060 0.000 1.104 3507 L CA 0.430 55.300 54.840 0.050 0.000 0.804 3507 L CB -0.309 41.775 42.059 0.041 0.000 0.937 3507 L HN 0.101 nan 8.230 nan 0.000 0.450 3508 A N -0.261 122.581 122.820 0.037 0.000 1.917 3508 A HA -0.250 4.057 4.320 -0.022 0.000 0.219 3508 A C 2.164 179.750 177.584 0.004 0.000 1.182 3508 A CA 1.521 53.569 52.037 0.018 0.000 0.633 3508 A CB -0.392 18.607 19.000 -0.002 0.000 0.819 3508 A HN 0.374 nan 8.150 nan 0.000 0.448 3509 Q N -1.495 118.312 119.800 0.011 0.000 2.515 3509 Q HA 0.113 4.440 4.340 -0.022 0.000 0.212 3509 Q C 1.113 177.163 176.000 0.084 0.000 0.970 3509 Q CA 0.861 56.661 55.803 -0.004 0.000 0.941 3509 Q CB -0.120 28.625 28.738 0.012 0.000 0.998 3509 Q HN 1.092 nan 8.270 nan 0.000 0.518 3510 G N 1.371 110.262 108.800 0.152 0.000 2.142 3510 G HA2 -0.264 3.682 3.960 -0.022 0.000 0.225 3510 G HA3 -0.264 3.682 3.960 -0.022 0.000 0.225 3510 G C -0.256 174.790 174.900 0.242 0.000 1.015 3510 G CA -0.253 45.012 45.100 0.275 0.000 0.716 3510 G HN 0.223 nan 8.290 nan 0.000 0.508 3511 R N -0.258 120.336 120.500 0.156 0.000 2.221 3511 R HA 0.521 4.848 4.340 -0.022 0.000 0.327 3511 R C 1.297 177.626 176.300 0.048 0.000 1.033 3511 R CA -0.571 55.608 56.100 0.131 0.000 0.887 3511 R CB 0.594 30.961 30.300 0.112 0.000 1.057 3511 R HN 0.258 nan 8.270 nan 0.000 0.455 3512 L N 3.490 124.699 121.223 -0.024 0.000 2.628 3512 L HA 0.250 4.577 4.340 -0.022 0.000 0.229 3512 L C -0.573 175.849 176.870 -0.747 0.000 1.137 3512 L CA 0.130 54.776 54.840 -0.322 0.000 0.909 3512 L CB -0.085 41.756 42.059 -0.364 0.000 1.137 3512 L HN 0.596 nan 8.230 nan 0.000 0.470 3513 Y N -2.038 118.213 120.300 -0.081 0.000 2.609 3513 Y HA 0.405 4.941 4.550 -0.023 0.000 0.336 3513 Y C -2.533 173.310 175.900 -0.096 0.000 1.129 3513 Y CA -2.477 55.497 58.100 -0.209 0.000 1.040 3513 Y CB 0.975 39.129 38.460 -0.510 0.000 1.310 3513 Y HN -0.217 nan 8.280 nan 0.000 0.460 3514 P HA 0.137 nan 4.420 nan 0.000 0.269 3514 P C -2.620 174.824 177.300 0.241 0.000 1.215 3514 P CA -1.007 62.185 63.100 0.154 0.000 0.780 3514 P CB 0.066 31.868 31.700 0.170 0.000 0.898 3515 P HA -0.045 nan 4.420 nan 0.000 0.264 3515 P C 0.745 178.153 177.300 0.180 0.000 1.183 3515 P CA 0.037 63.236 63.100 0.165 0.000 0.763 3515 P CB 0.301 32.062 31.700 0.101 0.000 0.807 3516 L N 4.588 125.907 121.223 0.159 0.000 2.131 3516 L HA -0.166 4.160 4.340 -0.022 0.000 0.210 3516 L C 2.122 178.979 176.870 -0.022 0.000 1.092 3516 L CA 1.991 56.848 54.840 0.028 0.000 0.759 3516 L CB -1.401 40.665 42.059 0.013 0.000 0.903 3516 L HN 0.445 nan 8.230 nan 0.000 0.435 3517 A N -1.214 121.617 122.820 0.019 0.000 2.178 3517 A HA -0.153 4.153 4.320 -0.022 0.000 0.218 3517 A C 1.765 179.347 177.584 -0.003 0.000 1.157 3517 A CA 1.568 53.608 52.037 0.005 0.000 0.689 3517 A CB -0.585 18.427 19.000 0.020 0.000 0.787 3517 A HN 0.632 nan 8.150 nan 0.000 0.465 3518 N N -0.973 117.733 118.700 0.009 0.000 2.200 3518 N HA 0.142 4.868 4.740 -0.022 0.000 0.224 3518 N C 1.070 176.573 175.510 -0.012 0.000 1.179 3518 N CA -0.041 53.014 53.050 0.008 0.000 0.877 3518 N CB 0.339 38.848 38.487 0.036 0.000 1.072 3518 N HN 0.549 nan 8.380 nan 0.000 0.519 3519 I N 1.249 121.781 120.570 -0.065 0.000 2.502 3519 I HA -0.350 3.807 4.170 -0.022 0.000 0.258 3519 I C 1.838 177.891 176.117 -0.106 0.000 1.172 3519 I CA 1.452 62.671 61.300 -0.134 0.000 1.430 3519 I CB 0.434 38.254 38.000 -0.299 0.000 1.086 3519 I HN 0.061 nan 8.210 nan 0.000 0.440 3520 Q N 0.540 120.294 119.800 -0.077 0.000 1.965 3520 Q HA -0.268 4.058 4.340 -0.022 0.000 0.200 3520 Q C 2.114 178.088 176.000 -0.043 0.000 0.981 3520 Q CA 2.230 57.994 55.803 -0.064 0.000 0.834 3520 Q CB -0.443 28.266 28.738 -0.048 0.000 0.900 3520 Q HN 0.533 nan 8.270 nan 0.000 0.426 3521 E N -0.003 120.182 120.200 -0.025 0.000 2.070 3521 E HA -0.214 4.122 4.350 -0.022 0.000 0.197 3521 E C 1.888 178.488 176.600 0.000 0.000 1.004 3521 E CA 1.591 57.986 56.400 -0.009 0.000 0.805 3521 E CB 0.012 29.712 29.700 0.001 0.000 0.744 3521 E HN 0.169 nan 8.360 nan 0.000 0.451 3522 V N 0.647 120.569 119.914 0.013 0.000 2.392 3522 V HA -0.255 3.852 4.120 -0.022 0.000 0.249 3522 V C 2.410 178.514 176.094 0.017 0.000 1.059 3522 V CA 1.956 64.280 62.300 0.040 0.000 1.051 3522 V CB -0.414 31.471 31.823 0.103 0.000 0.658 3522 V HN 0.253 nan 8.190 nan 0.000 0.455 3523 S N -0.284 115.400 115.700 -0.026 0.000 2.383 3523 S HA -0.057 4.399 4.470 -0.022 0.000 0.227 3523 S C 1.894 176.468 174.600 -0.045 0.000 1.026 3523 S CA 1.101 59.265 58.200 -0.059 0.000 0.981 3523 S CB -0.186 62.945 63.200 -0.115 0.000 0.818 3523 S HN 0.399 nan 8.310 nan 0.000 0.472 3524 I N 2.627 123.177 120.570 -0.032 0.000 2.315 3524 I HA -0.092 4.064 4.170 -0.022 0.000 0.248 3524 I C 1.880 177.995 176.117 -0.003 0.000 1.117 3524 I CA 1.032 62.320 61.300 -0.021 0.000 1.404 3524 I CB -1.495 36.494 38.000 -0.018 0.000 1.071 3524 I HN 0.256 nan 8.210 nan 0.000 0.419 3525 N N 1.194 119.897 118.700 0.004 0.000 2.120 3525 N HA -0.111 4.615 4.740 -0.022 0.000 0.188 3525 N C 2.009 177.528 175.510 0.015 0.000 1.024 3525 N CA 1.167 54.226 53.050 0.015 0.000 0.852 3525 N CB -0.193 38.307 38.487 0.021 0.000 1.003 3525 N HN 0.356 nan 8.380 nan 0.000 0.424 3526 I N 1.089 121.664 120.570 0.007 0.000 2.226 3526 I HA -0.236 3.921 4.170 -0.022 0.000 0.245 3526 I C 2.306 178.417 176.117 -0.011 0.000 1.100 3526 I CA 0.924 62.223 61.300 -0.002 0.000 1.374 3526 I CB -0.296 37.699 38.000 -0.010 0.000 1.057 3526 I HN 0.060 nan 8.210 nan 0.000 0.413 3527 A N 1.132 123.942 122.820 -0.016 0.000 1.908 3527 A HA -0.198 4.108 4.320 -0.022 0.000 0.218 3527 A C 2.285 179.891 177.584 0.036 0.000 1.181 3527 A CA 1.567 53.599 52.037 -0.008 0.000 0.627 3527 A CB -0.839 18.151 19.000 -0.017 0.000 0.818 3527 A HN 0.379 nan 8.150 nan 0.000 0.445 3528 I N -1.001 119.595 120.570 0.043 0.000 2.163 3528 I HA -0.265 3.892 4.170 -0.022 0.000 0.243 3528 I C 2.523 178.685 176.117 0.076 0.000 1.085 3528 I CA 1.683 63.026 61.300 0.071 0.000 1.347 3528 I CB -0.247 37.786 38.000 0.055 0.000 1.044 3528 I HN 0.140 nan 8.210 nan 0.000 0.408 3529 K N 0.620 121.053 120.400 0.055 0.000 2.057 3529 K HA -0.105 4.201 4.320 -0.022 0.000 0.207 3529 K C 1.914 178.568 176.600 0.089 0.000 1.049 3529 K CA 1.129 57.454 56.287 0.064 0.000 0.931 3529 K CB -0.654 31.868 32.500 0.037 0.000 0.714 3529 K HN 0.129 nan 8.250 nan 0.000 0.440 3530 V N 0.189 120.134 119.914 0.053 0.000 2.427 3530 V HA -0.230 3.876 4.120 -0.022 0.000 0.248 3530 V C 2.356 178.525 176.094 0.126 0.000 1.051 3530 V CA 2.194 64.528 62.300 0.056 0.000 1.048 3530 V CB -0.681 31.117 31.823 -0.043 0.000 0.666 3530 V HN 0.515 nan 8.190 nan 0.000 0.456 3531 T N -0.417 114.212 114.554 0.125 0.000 2.777 3531 T HA -0.197 4.140 4.350 -0.022 0.000 0.266 3531 T C 1.758 176.593 174.700 0.226 0.000 1.040 3531 T CA 1.783 63.988 62.100 0.175 0.000 1.141 3531 T CB -0.217 68.794 68.868 0.238 0.000 0.868 3531 T HN 0.643 nan 8.240 nan 0.000 0.444 3532 E N -0.691 119.621 120.200 0.185 0.000 2.153 3532 E HA -0.138 4.198 4.350 -0.022 0.000 0.194 3532 E C 1.853 178.537 176.600 0.141 0.000 0.988 3532 E CA 1.295 57.787 56.400 0.154 0.000 0.811 3532 E CB -0.275 29.486 29.700 0.103 0.000 0.746 3532 E HN 0.706 nan 8.360 nan 0.000 0.466 3533 Y N 1.246 121.575 120.300 0.048 0.000 2.220 3533 Y HA -0.129 4.419 4.550 -0.004 0.000 0.291 3533 Y C 1.934 177.840 175.900 0.010 0.000 1.129 3533 Y CA 1.166 59.279 58.100 0.021 0.000 1.161 3533 Y CB -0.056 38.402 38.460 -0.003 0.000 0.997 3533 Y HN -0.082 nan 8.280 nan 0.000 0.522 3534 L N -1.380 119.860 121.223 0.027 0.000 2.093 3534 L HA -0.220 4.106 4.340 -0.022 0.000 0.208 3534 L C 2.021 178.764 176.870 -0.212 0.000 1.085 3534 L CA 1.356 56.135 54.840 -0.102 0.000 0.755 3534 L CB -0.699 41.322 42.059 -0.063 0.000 0.904 3534 L HN 0.233 nan 8.230 nan 0.000 0.435 3535 Y N -0.338 119.901 120.300 -0.102 0.000 2.220 3535 Y HA -0.203 4.328 4.550 -0.033 0.000 0.291 3535 Y C 2.651 178.457 175.900 -0.157 0.000 1.129 3535 Y CA 1.079 59.106 58.100 -0.123 0.000 1.161 3535 Y CB -0.271 38.127 38.460 -0.103 0.000 0.997 3535 Y HN 0.121 nan 8.280 nan 0.000 0.522 3536 A N 0.129 122.941 122.820 -0.014 0.000 1.940 3536 A HA -0.199 4.107 4.320 -0.022 0.000 0.219 3536 A C 1.529 179.008 177.584 -0.176 0.000 1.176 3536 A CA 1.858 53.837 52.037 -0.097 0.000 0.631 3536 A CB -0.514 18.412 19.000 -0.124 0.000 0.814 3536 A HN 0.469 nan 8.150 nan 0.000 0.446 3537 N N -0.265 118.260 118.700 -0.291 0.000 2.320 3537 N HA 0.161 4.888 4.740 -0.022 0.000 0.237 3537 N C -0.543 174.860 175.510 -0.178 0.000 1.129 3537 N CA 0.010 52.898 53.050 -0.269 0.000 0.854 3537 N CB 0.345 38.571 38.487 -0.436 0.000 1.083 3537 N HN 0.201 nan 8.380 nan 0.000 0.504 3541 F N 1.105 120.973 119.950 -0.138 0.000 2.661 3541 F HA 0.300 4.822 4.527 -0.009 0.000 0.306 3541 F C 1.318 177.187 175.800 0.116 0.000 1.094 3541 F CA -0.245 57.755 58.000 0.001 0.000 1.254 3541 F CB 0.601 39.610 39.000 0.015 0.000 1.040 3541 F HN 0.563 nan 8.300 nan 0.000 0.562 3542 R N 2.216 122.853 120.500 0.229 0.000 2.370 3542 R HA 0.096 4.423 4.340 -0.022 0.000 0.309 3542 R C -1.208 175.281 176.300 0.316 0.000 1.059 3542 R CA 0.034 56.295 56.100 0.269 0.000 0.981 3542 R CB -0.251 30.207 30.300 0.262 0.000 0.972 3542 R HN 0.346 nan 8.270 nan 0.000 0.437 3543 Y N 3.989 124.371 120.300 0.138 0.000 2.446 3543 Y HA 0.686 5.221 4.550 -0.024 0.000 0.345 3543 Y C -2.310 173.628 175.900 0.064 0.000 0.984 3543 Y CA -2.371 55.782 58.100 0.088 0.000 1.058 3543 Y CB 0.909 39.412 38.460 0.072 0.000 1.220 3543 Y HN 0.482 nan 8.280 nan 0.000 0.455 3544 P HA 0.158 nan 4.420 nan 0.000 0.279 3544 P C -1.220 176.069 177.300 -0.019 0.000 1.282 3544 P CA -0.572 62.590 63.100 0.104 0.000 0.788 3544 P CB 1.145 32.874 31.700 0.049 0.000 1.139 3545 E N 0.626 120.767 120.200 -0.098 0.000 2.259 3545 E HA 0.224 4.561 4.350 -0.022 0.000 0.281 3545 E C -1.994 174.333 176.600 -0.456 0.000 1.037 3545 E CA -1.839 54.313 56.400 -0.414 0.000 0.854 3545 E CB 0.122 29.533 29.700 -0.481 0.000 1.051 3545 E HN 0.222 nan 8.360 nan 0.000 0.409 3546 P HA 0.008 nan 4.420 nan 0.000 0.271 3546 P C 0.148 177.243 177.300 -0.342 0.000 1.216 3546 P CA -0.188 62.640 63.100 -0.454 0.000 0.776 3546 P CB 0.863 32.163 31.700 -0.666 0.000 0.881 3547 E N 0.941 121.026 120.200 -0.193 0.000 2.033 3547 E HA -0.093 4.244 4.350 -0.022 0.000 0.189 3547 E C 0.197 176.733 176.600 -0.106 0.000 0.979 3547 E CA 1.208 57.524 56.400 -0.139 0.000 0.802 3547 E CB -0.084 29.564 29.700 -0.086 0.000 0.763 3547 E HN 0.454 nan 8.360 nan 0.000 0.449 3548 D N 0.802 121.163 120.400 -0.065 0.000 2.479 3548 D HA 0.042 4.668 4.640 -0.022 0.000 0.218 3548 D C 0.660 176.963 176.300 0.005 0.000 1.131 3548 D CA -0.128 53.859 54.000 -0.023 0.000 0.916 3548 D CB 0.787 41.587 40.800 0.001 0.000 1.022 3548 D HN -0.203 nan 8.370 nan 0.000 0.515 3549 K N 2.169 122.562 120.400 -0.012 0.000 2.103 3549 K HA -0.104 4.203 4.320 -0.022 0.000 0.207 3549 K C 1.761 178.437 176.600 0.127 0.000 1.048 3549 K CA 1.329 57.643 56.287 0.045 0.000 0.930 3549 K CB -0.069 32.449 32.500 0.029 0.000 0.716 3549 K HN 0.432 nan 8.250 nan 0.000 0.444 3550 A N 0.530 123.396 122.820 0.076 0.000 1.930 3550 A HA -0.173 4.133 4.320 -0.022 0.000 0.217 3550 A C 2.060 179.685 177.584 0.069 0.000 1.175 3550 A CA 1.706 53.783 52.037 0.067 0.000 0.627 3550 A CB -0.415 18.609 19.000 0.039 0.000 0.815 3550 A HN 0.303 nan 8.150 nan 0.000 0.443 3551 K N -1.754 118.688 120.400 0.069 0.000 2.097 3551 K HA -0.204 4.102 4.320 -0.022 0.000 0.206 3551 K C 1.885 178.541 176.600 0.093 0.000 1.049 3551 K CA 1.612 57.935 56.287 0.060 0.000 0.933 3551 K CB -0.388 32.142 32.500 0.050 0.000 0.717 3551 K HN 0.481 nan 8.250 nan 0.000 0.442 3552 Y N 1.452 121.748 120.300 -0.007 0.000 2.049 3552 Y HA -0.289 4.251 4.550 -0.017 0.000 0.277 3552 Y C 1.988 177.897 175.900 0.015 0.000 1.143 3552 Y CA 1.886 59.987 58.100 0.002 0.000 1.115 3552 Y CB -0.690 37.773 38.460 0.004 0.000 0.975 3552 Y HN -0.158 nan 8.280 nan 0.000 0.487 3553 V N 0.912 120.830 119.914 0.007 0.000 2.287 3553 V HA -0.356 3.751 4.120 -0.022 0.000 0.248 3553 V C 2.330 178.370 176.094 -0.091 0.000 1.053 3553 V CA 2.468 64.714 62.300 -0.090 0.000 1.027 3553 V CB -0.725 31.117 31.823 0.031 0.000 0.646 3553 V HN 0.358 nan 8.190 nan 0.000 0.447 3554 K N -0.310 120.068 120.400 -0.036 0.000 2.152 3554 K HA -0.215 4.092 4.320 -0.022 0.000 0.206 3554 K C 2.090 178.659 176.600 -0.053 0.000 1.048 3554 K CA 1.682 57.948 56.287 -0.035 0.000 0.933 3554 K CB -0.164 32.327 32.500 -0.014 0.000 0.721 3554 K HN 0.611 nan 8.250 nan 0.000 0.447 3555 E N 0.081 120.240 120.200 -0.069 0.000 2.216 3555 E HA -0.084 4.252 4.350 -0.022 0.000 0.192 3555 E C 1.359 177.907 176.600 -0.087 0.000 0.988 3555 E CA 0.554 56.913 56.400 -0.068 0.000 0.834 3555 E CB 0.177 29.843 29.700 -0.056 0.000 0.772 3555 E HN 0.187 nan 8.360 nan 0.000 0.479 3556 R N 1.228 121.647 120.500 -0.136 0.000 2.356 3556 R HA 0.044 4.371 4.340 -0.022 0.000 0.234 3556 R C 0.227 176.497 176.300 -0.049 0.000 0.929 3556 R CA 0.168 56.197 56.100 -0.119 0.000 1.084 3556 R CB 0.220 30.383 30.300 -0.230 0.000 1.105 3556 R HN 0.064 nan 8.270 nan 0.000 0.515 3557 T N -2.237 112.296 114.554 -0.035 0.000 2.856 3557 T HA 0.110 4.446 4.350 -0.022 0.000 0.292 3557 T C -0.256 174.481 174.700 0.061 0.000 0.980 3557 T CA -0.853 61.256 62.100 0.015 0.000 1.091 3557 T CB 1.255 70.119 68.868 -0.008 0.000 0.936 3557 T HN 0.224 nan 8.240 nan 0.000 0.503 3558 W N 2.972 124.224 121.300 -0.081 0.000 2.158 3558 W HA 0.481 5.127 4.660 -0.023 0.000 0.339 3558 W C 0.171 176.639 176.519 -0.085 0.000 1.294 3558 W CA -0.454 56.845 57.345 -0.078 0.000 1.231 3558 W CB 0.512 29.916 29.460 -0.093 0.000 1.143 3558 W HN 0.619 nan 8.180 nan 0.000 0.571 3559 R N 1.765 121.742 120.500 -0.873 0.000 2.778 3559 R HA 0.265 4.591 4.340 -0.022 0.000 0.277 3559 R C 1.103 176.596 176.300 -1.346 0.000 0.977 3559 R CA 0.054 55.679 56.100 -0.792 0.000 0.950 3559 R CB 1.766 31.775 30.300 -0.485 0.000 1.165 3559 R HN 0.495 nan 8.270 nan 0.000 0.474 3560 S N 0.408 115.655 115.700 -0.755 0.000 2.528 3560 S HA 0.034 4.491 4.470 -0.022 0.000 0.219 3560 S C -0.047 174.253 174.600 -0.500 0.000 0.985 3560 S CA -0.151 57.700 58.200 -0.583 0.000 0.914 3560 S CB -0.159 62.919 63.200 -0.203 0.000 0.776 3560 S HN 0.545 nan 8.310 nan 0.000 0.526 3561 E N 1.497 121.432 120.200 -0.443 0.000 2.392 3561 E HA 0.098 4.435 4.350 -0.022 0.000 0.264 3561 E C -0.717 175.696 176.600 -0.310 0.000 1.024 3561 E CA -0.372 55.813 56.400 -0.358 0.000 0.903 3561 E CB 0.152 29.714 29.700 -0.229 0.000 0.963 3561 E HN 0.546 nan 8.360 nan 0.000 0.432 3562 Y N 0.854 121.072 120.300 -0.136 0.000 2.480 3562 Y HA -0.011 4.526 4.550 -0.022 0.000 0.338 3562 Y C 1.022 176.861 175.900 -0.102 0.000 1.220 3562 Y CA 0.167 58.196 58.100 -0.119 0.000 1.430 3562 Y CB 0.639 39.029 38.460 -0.118 0.000 1.311 3562 Y HN 0.327 nan 8.280 nan 0.000 0.575 3563 D N 0.299 120.764 120.400 0.109 0.000 2.326 3563 D HA 0.111 4.737 4.640 -0.022 0.000 0.251 3563 D C -0.697 175.636 176.300 0.055 0.000 1.023 3563 D CA -0.492 53.537 54.000 0.047 0.000 0.966 3563 D CB 1.847 42.669 40.800 0.037 0.000 1.156 3563 D HN 0.361 nan 8.370 nan 0.000 0.494 3564 S N 0.375 116.101 115.700 0.044 0.000 2.528 3564 S HA 0.190 4.647 4.470 -0.022 0.000 0.277 3564 S C 1.055 175.693 174.600 0.063 0.000 1.297 3564 S CA -0.516 57.714 58.200 0.049 0.000 1.052 3564 S CB 0.169 63.394 63.200 0.041 0.000 0.917 3564 S HN 0.326 nan 8.310 nan 0.000 0.492 3565 L N 4.748 126.021 121.223 0.083 0.000 2.640 3565 L HA 0.302 4.628 4.340 -0.022 0.000 0.230 3565 L C 0.273 177.188 176.870 0.075 0.000 1.123 3565 L CA -0.082 54.816 54.840 0.097 0.000 0.900 3565 L CB -0.135 42.019 42.059 0.159 0.000 1.146 3565 L HN 0.517 nan 8.230 nan 0.000 0.484 3566 L N 2.704 123.966 121.223 0.065 0.000 2.490 3566 L HA 0.103 4.429 4.340 -0.022 0.000 0.274 3566 L C -1.460 175.439 176.870 0.050 0.000 1.201 3566 L CA -1.185 53.685 54.840 0.050 0.000 0.869 3566 L CB 0.090 42.177 42.059 0.046 0.000 1.123 3566 L HN -0.032 nan 8.230 nan 0.000 0.484 3567 P HA 0.038 nan 4.420 nan 0.000 0.274 3567 P C -0.957 176.385 177.300 0.070 0.000 1.246 3567 P CA -0.549 62.580 63.100 0.048 0.000 0.795 3567 P CB 0.742 32.458 31.700 0.026 0.000 1.006 3568 D N 1.061 121.524 120.400 0.105 0.000 2.416 3568 D HA 0.141 4.767 4.640 -0.022 0.000 0.240 3568 D C -0.593 175.843 176.300 0.225 0.000 1.250 3568 D CA 0.034 54.144 54.000 0.185 0.000 0.967 3568 D CB -0.341 40.600 40.800 0.234 0.000 1.059 3568 D HN -0.065 nan 8.370 nan 0.000 0.512 3569 V N 6.167 126.176 119.914 0.159 0.000 2.350 3569 V HA 0.371 4.478 4.120 -0.022 0.000 0.276 3569 V C -0.374 175.821 176.094 0.169 0.000 1.028 3569 V CA -0.590 61.744 62.300 0.057 0.000 0.860 3569 V CB 0.216 32.042 31.823 0.007 0.000 0.990 3569 V HN 0.351 nan 8.190 nan 0.000 0.453 3570 Y N 1.430 121.751 120.300 0.035 0.000 2.571 3570 Y HA 0.796 5.333 4.550 -0.022 0.000 0.341 3570 Y C -0.526 175.430 175.900 0.093 0.000 1.076 3570 Y CA -1.638 56.503 58.100 0.068 0.000 1.029 3570 Y CB 1.341 39.860 38.460 0.099 0.000 1.308 3570 Y HN 0.472 nan 8.280 nan 0.000 0.461 3571 E N 1.520 121.877 120.200 0.261 0.000 2.354 3571 E HA 0.206 4.542 4.350 -0.022 0.000 0.269 3571 E C -1.618 175.225 176.600 0.405 0.000 1.036 3571 E CA -0.141 56.385 56.400 0.210 0.000 0.876 3571 E CB 0.528 30.318 29.700 0.150 0.000 1.009 3571 E HN 0.576 nan 8.360 nan 0.000 0.416 3572 W N 5.496 126.834 121.300 0.063 0.000 2.351 3572 W HA 0.305 4.952 4.660 -0.022 0.000 0.311 3572 W C -1.407 175.145 176.519 0.055 0.000 1.168 3572 W CA -2.265 55.127 57.345 0.078 0.000 1.200 3572 W CB 0.029 29.509 29.460 0.033 0.000 1.221 3572 W HN 0.549 nan 8.180 nan 0.000 0.519 3573 P HA 0.000 nan 4.420 nan 0.000 0.216 3573 P CA 0.000 63.151 63.100 0.084 0.000 0.800 3573 P CB 0.000 31.709 31.700 0.015 0.000 0.726