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 1bg3_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIAAQLLAYY FTELKDDQVK KIDKYLYAMR LSDEILIDIL TRFKKEMKNG DATA SEQUENCE LSRDYNPTAS VKMLPTFVRS IPDGSEKGDF IALDLGGSSF RILRVQVXXX DATA SEQUENCE XXXNVSMESE IYDTPENIVH GSGTQLFDHV ADCLGDFMEK KKIKDKKLPV DATA SEQUENCE GFTFSFPCRQ SKIDEAVLIT WTKRFKASGV EGADVVKLLN KAIKKRGDYD DATA SEQUENCE ANIVAVVNDT VGTMMTCGYD DQQCEVGLII GTGTNACYME ELRHIDLVEG DATA SEQUENCE DEGRMCINTE WGAFGDDGSL EDIRTEFDRE LDRGSLNPGK QLFEKMVSGM DATA SEQUENCE YMGELVRLIL VKMAKEGLLF EGRITPELLT RGKFNTSDVS AIEKDKEGIQ DATA SEQUENCE NAKEILTRLG VEPSDVDCVS VQHICTIVSF RSANLVAATL GAILNRLRDN DATA SEQUENCE KGTPRLRTTV GVDGSLYKMH PQYSRRFHKT LRRLVPDSDV RFLLSESGTG DATA SEQUENCE KGAAMVTAVA YRLAEQHRQI EETLAHFRLS KQTLMEVKKR LRTEMEMGLR DATA SEQUENCE KETNSKATVK MLPSFVRSIP DGTEHGDFLA LDLGGTNFRV LLVKIRSXXX DATA SEQUENCE RTVEMHNKIY SIPLEIMQGT GDELFDHIVS CISDFLDYMG IKGPRMPLGF DATA SEQUENCE TFSFPCHQTN LDCGILISWT KGFKATDCEG HDVASLLRDA VKRREEFDLD DATA SEQUENCE VVAVVNDTVG TMMTCAYEEP TCEIGLIVGT GTNACYMEEM KNVEMVEGNQ DATA SEQUENCE GQMCINMEWG AFGDNGCLDD IRTDFDKVVD EYSLNSGKQR FEKMISGMYL DATA SEQUENCE GEIVRNILID FTKKGFLFRG QISEPLKTRG IFETKFLSQI ESDRLALLQV DATA SEQUENCE RAILQQLGLN STCDDSILVK TVCGVVSKRA AQLCGAGMAA VVEKIRENRG DATA SEQUENCE LDHLNVTVGV DGTLYKLHPH FSRIMHQTVK ELSPKCTVSF LLSEDGSGKG DATA SEQUENCE AALITAVGVR L 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.305 176.300 0.009 0.000 1.140 1 M CA 0.000 55.305 55.300 0.008 0.000 0.988 1 M CB 0.000 32.606 32.600 0.010 0.000 1.302 2 I N 0.497 121.070 120.570 0.005 0.000 2.953 2 I HA 0.385 4.555 4.170 0.001 0.000 0.271 2 I C 2.283 178.402 176.117 0.003 0.000 1.286 2 I CA 2.703 64.005 61.300 0.005 0.000 1.449 2 I CB -1.987 36.013 38.000 0.001 0.000 1.086 2 I HN 1.273 nan 8.210 nan 0.000 0.483 3 A N 0.388 123.209 122.820 0.002 0.000 1.832 3 A HA 0.256 4.577 4.320 0.001 0.000 0.214 3 A C 2.822 180.414 177.584 0.013 0.000 1.242 3 A CA 1.863 53.900 52.037 -0.001 0.000 0.603 3 A CB -1.397 17.601 19.000 -0.004 0.000 0.902 3 A HN 1.430 nan 8.150 nan 0.000 0.455 4 A N -1.336 121.497 122.820 0.022 0.000 1.927 4 A HA -0.180 4.140 4.320 0.001 0.000 0.220 4 A C 2.453 180.066 177.584 0.049 0.000 1.185 4 A CA 3.481 55.542 52.037 0.040 0.000 0.639 4 A CB -1.405 17.617 19.000 0.036 0.000 0.820 4 A HN 0.978 nan 8.150 nan 0.000 0.451 5 Q N -0.794 119.027 119.800 0.035 0.000 2.020 5 Q HA -0.060 4.281 4.340 0.001 0.000 0.202 5 Q C 2.207 178.233 176.000 0.043 0.000 0.982 5 Q CA 1.648 57.473 55.803 0.037 0.000 0.838 5 Q CB -0.974 27.779 28.738 0.025 0.000 0.899 5 Q HN 0.537 nan 8.270 nan 0.000 0.423 6 L N -0.038 121.203 121.223 0.030 0.000 2.043 6 L HA -0.161 4.180 4.340 0.001 0.000 0.212 6 L C 2.566 179.465 176.870 0.049 0.000 1.075 6 L CA 2.203 57.059 54.840 0.026 0.000 0.752 6 L CB -0.945 41.113 42.059 -0.001 0.000 0.891 6 L HN 0.580 nan 8.230 nan 0.000 0.432 7 L N -0.172 121.084 121.223 0.056 0.000 2.044 7 L HA -0.054 4.287 4.340 0.001 0.000 0.205 7 L C 2.623 179.593 176.870 0.167 0.000 1.075 7 L CA 2.036 56.932 54.840 0.094 0.000 0.747 7 L CB -0.910 41.204 42.059 0.091 0.000 0.903 7 L HN 0.183 nan 8.230 nan 0.000 0.435 8 A N -1.347 121.565 122.820 0.153 0.000 1.892 8 A HA -0.278 4.043 4.320 0.001 0.000 0.218 8 A C 2.580 180.241 177.584 0.129 0.000 1.188 8 A CA 2.697 54.834 52.037 0.165 0.000 0.631 8 A CB -1.764 17.300 19.000 0.107 0.000 0.822 8 A HN 0.648 nan 8.150 nan 0.000 0.447 9 Y N -2.063 118.292 120.300 0.093 0.000 2.224 9 Y HA -0.190 4.360 4.550 0.001 0.000 0.289 9 Y C 2.395 178.335 175.900 0.067 0.000 1.146 9 Y CA 2.039 60.179 58.100 0.067 0.000 1.182 9 Y CB -1.401 37.091 38.460 0.054 0.000 0.983 9 Y HN 0.625 nan 8.280 nan 0.000 0.524 10 Y N -0.569 119.706 120.300 -0.042 0.000 2.128 10 Y HA -0.208 4.342 4.550 0.001 0.000 0.284 10 Y C 2.072 177.913 175.900 -0.097 0.000 1.154 10 Y CA 1.881 59.911 58.100 -0.117 0.000 1.149 10 Y CB -1.164 37.157 38.460 -0.232 0.000 0.976 10 Y HN 0.248 nan 8.280 nan 0.000 0.505 11 F N 0.690 120.425 119.950 -0.358 0.000 2.134 11 F HA -0.168 4.360 4.527 0.001 0.000 0.299 11 F C 2.543 178.183 175.800 -0.266 0.000 1.097 11 F CA 1.979 59.725 58.000 -0.424 0.000 1.264 11 F CB -1.159 37.731 39.000 -0.184 0.000 1.001 11 F HN 0.043 nan 8.300 nan 0.000 0.479 12 T N -0.830 113.752 114.554 0.047 0.000 2.708 12 T HA -0.241 4.109 4.350 0.001 0.000 0.266 12 T C 1.785 176.462 174.700 -0.040 0.000 1.037 12 T CA 1.616 63.718 62.100 0.002 0.000 1.146 12 T CB -0.326 68.548 68.868 0.011 0.000 0.865 12 T HN 0.152 nan 8.240 nan 0.000 0.435 13 E N 1.144 121.311 120.200 -0.056 0.000 2.049 13 E HA -0.154 4.197 4.350 0.001 0.000 0.198 13 E C 2.019 178.565 176.600 -0.091 0.000 1.007 13 E CA 1.100 57.465 56.400 -0.058 0.000 0.809 13 E CB -0.740 28.938 29.700 -0.037 0.000 0.749 13 E HN 0.303 nan 8.360 nan 0.000 0.450 14 L N 0.908 122.021 121.223 -0.183 0.000 2.042 14 L HA -0.178 4.163 4.340 0.001 0.000 0.210 14 L C 2.395 179.214 176.870 -0.084 0.000 1.076 14 L CA 2.201 56.935 54.840 -0.177 0.000 0.749 14 L CB -0.603 41.233 42.059 -0.371 0.000 0.893 14 L HN 0.168 nan 8.230 nan 0.000 0.432 15 K N -0.736 119.625 120.400 -0.065 0.000 1.973 15 K HA -0.212 4.109 4.320 0.001 0.000 0.212 15 K C 1.787 178.328 176.600 -0.098 0.000 1.047 15 K CA 1.846 58.089 56.287 -0.074 0.000 0.937 15 K CB -0.307 32.149 32.500 -0.074 0.000 0.721 15 K HN 0.257 nan 8.250 nan 0.000 0.440 16 D N 0.742 121.092 120.400 -0.083 0.000 2.303 16 D HA -0.276 4.365 4.640 0.001 0.000 0.190 16 D C 1.927 178.186 176.300 -0.069 0.000 1.011 16 D CA 2.444 56.399 54.000 -0.076 0.000 0.860 16 D CB -0.971 39.799 40.800 -0.049 0.000 0.961 16 D HN 0.585 nan 8.370 nan 0.000 0.453 17 D N 0.182 120.550 120.400 -0.053 0.000 2.149 17 D HA -0.226 4.415 4.640 0.001 0.000 0.194 17 D C 1.966 178.238 176.300 -0.045 0.000 1.001 17 D CA 1.713 55.689 54.000 -0.041 0.000 0.849 17 D CB -0.496 40.285 40.800 -0.032 0.000 0.939 17 D HN 0.134 nan 8.370 nan 0.000 0.449 18 Q N -0.344 119.421 119.800 -0.060 0.000 2.096 18 Q HA -0.005 4.336 4.340 0.001 0.000 0.197 18 Q C 2.826 178.787 176.000 -0.064 0.000 0.964 18 Q CA 0.868 56.635 55.803 -0.059 0.000 0.838 18 Q CB -0.310 28.391 28.738 -0.061 0.000 0.906 18 Q HN 0.541 nan 8.270 nan 0.000 0.444 19 V N 2.080 121.914 119.914 -0.134 0.000 2.278 19 V HA -0.364 3.756 4.120 0.001 0.000 0.251 19 V C 2.830 178.906 176.094 -0.031 0.000 1.062 19 V CA 2.867 65.041 62.300 -0.211 0.000 1.038 19 V CB -1.152 30.415 31.823 -0.427 0.000 0.646 19 V HN 0.490 nan 8.190 nan 0.000 0.447 20 K N 0.239 120.625 120.400 -0.023 0.000 2.001 20 K HA -0.325 3.996 4.320 0.001 0.000 0.214 20 K C 2.376 179.004 176.600 0.048 0.000 1.050 20 K CA 3.078 59.376 56.287 0.019 0.000 0.934 20 K CB -1.486 31.017 32.500 0.004 0.000 0.718 20 K HN 0.605 nan 8.250 nan 0.000 0.443 21 K N 0.899 121.318 120.400 0.030 0.000 2.044 21 K HA -0.049 4.271 4.320 0.001 0.000 0.210 21 K C 2.369 179.025 176.600 0.092 0.000 1.049 21 K CA 1.917 58.230 56.287 0.043 0.000 0.927 21 K CB -0.896 31.607 32.500 0.005 0.000 0.713 21 K HN 0.594 nan 8.250 nan 0.000 0.443 22 I N 0.907 121.536 120.570 0.098 0.000 2.252 22 I HA -0.195 3.976 4.170 0.001 0.000 0.245 22 I C 1.951 178.197 176.117 0.214 0.000 1.102 22 I CA 1.211 62.602 61.300 0.153 0.000 1.385 22 I CB -0.364 37.740 38.000 0.174 0.000 1.064 22 I HN 0.284 nan 8.210 nan 0.000 0.414 23 D N 1.545 122.069 120.400 0.208 0.000 2.182 23 D HA -0.184 4.457 4.640 0.001 0.000 0.201 23 D C 2.362 178.769 176.300 0.179 0.000 0.986 23 D CA 1.844 55.956 54.000 0.186 0.000 0.847 23 D CB -0.095 40.810 40.800 0.176 0.000 0.942 23 D HN 0.395 nan 8.370 nan 0.000 0.467 24 K N -0.178 120.317 120.400 0.158 0.000 2.305 24 K HA -0.067 4.254 4.320 0.001 0.000 0.199 24 K C 1.891 178.574 176.600 0.139 0.000 1.047 24 K CA 0.490 56.846 56.287 0.115 0.000 0.976 24 K CB -0.862 31.668 32.500 0.050 0.000 0.765 24 K HN 0.277 nan 8.250 nan 0.000 0.474 25 Y N 0.291 120.644 120.300 0.088 0.000 2.231 25 Y HA 0.258 4.809 4.550 0.001 0.000 0.294 25 Y C 1.271 177.321 175.900 0.251 0.000 1.120 25 Y CA 0.995 59.163 58.100 0.114 0.000 1.141 25 Y CB 0.459 38.963 38.460 0.074 0.000 1.022 25 Y HN 0.052 nan 8.280 nan 0.000 0.523 26 L N 1.492 122.913 121.223 0.330 0.000 3.036 26 L HA 0.081 4.422 4.340 0.001 0.000 0.237 26 L C 0.814 177.783 176.870 0.165 0.000 1.319 26 L CA -0.417 54.550 54.840 0.212 0.000 1.112 26 L CB -0.594 41.540 42.059 0.126 0.000 1.480 26 L HN 0.361 nan 8.230 nan 0.000 0.506 27 Y N -0.312 119.990 120.300 0.005 0.000 2.333 27 Y HA -0.142 4.409 4.550 0.001 0.000 0.290 27 Y C 2.162 178.052 175.900 -0.017 0.000 1.144 27 Y CA 0.731 58.828 58.100 -0.005 0.000 1.228 27 Y CB -0.885 37.568 38.460 -0.011 0.000 0.985 27 Y HN 0.190 nan 8.280 nan 0.000 0.542 28 A N 0.898 123.235 122.820 -0.806 0.000 2.121 28 A HA -0.015 4.306 4.320 0.001 0.000 0.218 28 A C 1.920 179.331 177.584 -0.288 0.000 1.154 28 A CA 1.471 53.101 52.037 -0.679 0.000 0.679 28 A CB -0.769 17.886 19.000 -0.577 0.000 0.795 28 A HN 0.582 nan 8.150 nan 0.000 0.458 29 M N -0.200 119.296 119.600 -0.172 0.000 2.655 29 M HA 0.170 4.651 4.480 0.001 0.000 0.311 29 M C -0.364 175.869 176.300 -0.112 0.000 1.229 29 M CA 0.110 55.341 55.300 -0.116 0.000 0.972 29 M CB 0.335 32.886 32.600 -0.081 0.000 1.366 29 M HN 0.130 nan 8.290 nan 0.000 0.500 30 R N 1.721 122.149 120.500 -0.120 0.000 2.402 30 R HA 0.455 4.795 4.340 0.001 0.000 0.290 30 R C -0.983 175.243 176.300 -0.123 0.000 1.321 30 R CA -0.326 55.709 56.100 -0.108 0.000 1.283 30 R CB 0.992 31.265 30.300 -0.046 0.000 1.111 30 R HN 0.308 nan 8.270 nan 0.000 0.578 31 L N 2.253 123.384 121.223 -0.152 0.000 2.342 31 L HA 0.133 4.473 4.340 0.001 0.000 0.285 31 L C 1.085 177.870 176.870 -0.141 0.000 1.095 31 L CA -0.073 54.685 54.840 -0.136 0.000 0.843 31 L CB 0.935 42.915 42.059 -0.131 0.000 1.201 31 L HN 0.464 nan 8.230 nan 0.000 0.445 32 S N 1.704 117.344 115.700 -0.100 0.000 2.576 32 S HA -0.045 4.426 4.470 0.001 0.000 0.272 32 S C 0.982 175.533 174.600 -0.082 0.000 1.352 32 S CA -0.332 57.817 58.200 -0.084 0.000 1.021 32 S CB 0.823 63.991 63.200 -0.052 0.000 0.887 32 S HN 0.649 nan 8.310 nan 0.000 0.542 33 D N 1.394 121.751 120.400 -0.072 0.000 2.144 33 D HA -0.080 4.561 4.640 0.001 0.000 0.199 33 D C 1.852 178.128 176.300 -0.041 0.000 0.984 33 D CA 1.738 55.703 54.000 -0.059 0.000 0.834 33 D CB -0.249 40.523 40.800 -0.045 0.000 0.955 33 D HN 0.839 nan 8.370 nan 0.000 0.465 34 E N 0.465 120.644 120.200 -0.034 0.000 2.049 34 E HA -0.198 4.153 4.350 0.001 0.000 0.198 34 E C 2.060 178.645 176.600 -0.025 0.000 1.007 34 E CA 1.204 57.589 56.400 -0.025 0.000 0.809 34 E CB -0.259 29.428 29.700 -0.021 0.000 0.749 34 E HN 0.272 nan 8.360 nan 0.000 0.450 35 I N 0.833 121.383 120.570 -0.033 0.000 2.264 35 I HA -0.291 3.880 4.170 0.001 0.000 0.248 35 I C 2.427 178.529 176.117 -0.025 0.000 1.111 35 I CA 0.965 62.246 61.300 -0.032 0.000 1.382 35 I CB -0.327 37.645 38.000 -0.048 0.000 1.060 35 I HN 0.270 nan 8.210 nan 0.000 0.418 36 L N 0.120 121.322 121.223 -0.035 0.000 2.131 36 L HA -0.203 4.138 4.340 0.001 0.000 0.210 36 L C 2.513 179.377 176.870 -0.010 0.000 1.092 36 L CA 0.884 55.708 54.840 -0.026 0.000 0.759 36 L CB -0.425 41.608 42.059 -0.044 0.000 0.903 36 L HN 0.265 nan 8.230 nan 0.000 0.435 37 I N -0.117 120.446 120.570 -0.012 0.000 2.286 37 I HA -0.246 3.925 4.170 0.001 0.000 0.245 37 I C 2.343 178.462 176.117 0.003 0.000 1.104 37 I CA 1.309 62.606 61.300 -0.006 0.000 1.397 37 I CB -1.020 36.973 38.000 -0.011 0.000 1.072 37 I HN 0.308 nan 8.210 nan 0.000 0.417 38 D N 1.417 121.819 120.400 0.004 0.000 2.104 38 D HA -0.178 4.463 4.640 0.001 0.000 0.194 38 D C 2.235 178.559 176.300 0.040 0.000 0.994 38 D CA 1.419 55.427 54.000 0.013 0.000 0.830 38 D CB -0.076 40.727 40.800 0.006 0.000 0.959 38 D HN 0.339 nan 8.370 nan 0.000 0.452 39 I N 0.510 121.109 120.570 0.049 0.000 2.315 39 I HA -0.197 3.974 4.170 0.001 0.000 0.248 39 I C 2.679 178.856 176.117 0.099 0.000 1.117 39 I CA 0.399 61.764 61.300 0.107 0.000 1.404 39 I CB -0.222 37.833 38.000 0.093 0.000 1.071 39 I HN 0.079 nan 8.210 nan 0.000 0.419 40 L N 0.238 121.489 121.223 0.046 0.000 2.046 40 L HA -0.211 4.129 4.340 0.001 0.000 0.208 40 L C 2.528 179.421 176.870 0.038 0.000 1.077 40 L CA 1.706 56.568 54.840 0.037 0.000 0.747 40 L CB -0.345 41.724 42.059 0.016 0.000 0.896 40 L HN 0.174 nan 8.230 nan 0.000 0.432 41 T N -0.390 114.177 114.554 0.021 0.000 2.821 41 T HA -0.129 4.222 4.350 0.001 0.000 0.267 41 T C 1.907 176.602 174.700 -0.008 0.000 1.046 41 T CA 1.285 63.383 62.100 -0.003 0.000 1.139 41 T CB -0.130 68.734 68.868 -0.007 0.000 0.871 41 T HN 0.386 nan 8.240 nan 0.000 0.454 42 R N -0.052 120.472 120.500 0.040 0.000 2.092 42 R HA 0.023 4.364 4.340 0.001 0.000 0.231 42 R C 2.114 178.384 176.300 -0.051 0.000 1.119 42 R CA 1.004 57.136 56.100 0.054 0.000 0.970 42 R CB -0.446 29.974 30.300 0.200 0.000 0.864 42 R HN 0.303 nan 8.270 nan 0.000 0.440 43 F N 2.302 122.061 119.950 -0.317 0.000 2.171 43 F HA -0.122 4.406 4.527 0.001 0.000 0.300 43 F C 1.922 177.496 175.800 -0.376 0.000 1.090 43 F CA 1.348 58.968 58.000 -0.634 0.000 1.293 43 F CB -0.040 38.567 39.000 -0.654 0.000 1.013 43 F HN -0.193 nan 8.300 nan 0.000 0.486 44 K N 0.247 120.488 120.400 -0.265 0.000 2.020 44 K HA -0.255 4.066 4.320 0.001 0.000 0.212 44 K C 2.313 178.732 176.600 -0.301 0.000 1.050 44 K CA 1.804 57.924 56.287 -0.277 0.000 0.929 44 K CB -0.377 32.036 32.500 -0.145 0.000 0.714 44 K HN 0.101 nan 8.250 nan 0.000 0.443 45 K N 1.163 121.426 120.400 -0.228 0.000 2.103 45 K HA -0.213 4.107 4.320 0.001 0.000 0.207 45 K C 1.601 178.052 176.600 -0.248 0.000 1.048 45 K CA 1.565 57.729 56.287 -0.205 0.000 0.930 45 K CB 0.073 32.486 32.500 -0.144 0.000 0.716 45 K HN 0.147 nan 8.250 nan 0.000 0.444 46 E N 0.324 120.329 120.200 -0.324 0.000 2.152 46 E HA -0.118 4.233 4.350 0.001 0.000 0.192 46 E C 2.104 178.478 176.600 -0.377 0.000 0.983 46 E CA 0.934 57.138 56.400 -0.327 0.000 0.818 46 E CB -0.137 29.325 29.700 -0.396 0.000 0.758 46 E HN 0.458 nan 8.360 nan 0.000 0.467 47 M N 0.676 119.955 119.600 -0.536 0.000 2.200 47 M HA -0.129 4.351 4.480 0.001 0.000 0.265 47 M C 2.694 178.862 176.300 -0.220 0.000 1.066 47 M CA 1.948 56.994 55.300 -0.423 0.000 1.127 47 M CB -0.384 31.915 32.600 -0.501 0.000 1.379 47 M HN 0.013 nan 8.290 nan 0.000 0.420 48 K N 0.423 120.697 120.400 -0.210 0.000 2.148 48 K HA -0.115 4.206 4.320 0.001 0.000 0.204 48 K C 1.426 177.982 176.600 -0.072 0.000 1.050 48 K CA 1.829 58.035 56.287 -0.135 0.000 0.942 48 K CB -1.197 31.214 32.500 -0.148 0.000 0.724 48 K HN 0.370 nan 8.250 nan 0.000 0.446 49 N N 0.191 118.831 118.700 -0.100 0.000 2.270 49 N HA -0.014 4.727 4.740 0.001 0.000 0.181 49 N C 2.087 177.622 175.510 0.042 0.000 1.016 49 N CA 1.232 54.276 53.050 -0.010 0.000 0.870 49 N CB -0.347 38.098 38.487 -0.071 0.000 0.979 49 N HN 0.511 nan 8.380 nan 0.000 0.431 50 G N 0.278 109.066 108.800 -0.020 0.000 2.430 50 G HA2 -0.067 3.893 3.960 0.001 0.000 0.216 50 G HA3 -0.067 3.893 3.960 0.001 0.000 0.216 50 G C 1.530 176.435 174.900 0.009 0.000 1.146 50 G CA 0.172 45.271 45.100 -0.001 0.000 0.793 50 G HN 0.207 nan 8.290 nan 0.000 0.537 51 L N 0.692 121.915 121.223 0.000 0.000 2.131 51 L HA 0.114 4.455 4.340 0.001 0.000 0.206 51 L C 1.872 178.762 176.870 0.032 0.000 1.087 51 L CA 0.110 54.956 54.840 0.009 0.000 0.767 51 L CB -0.244 41.819 42.059 0.006 0.000 0.917 51 L HN 0.206 nan 8.230 nan 0.000 0.441 52 S N 0.067 115.804 115.700 0.062 0.000 2.549 52 S HA 0.141 4.611 4.470 0.001 0.000 0.286 52 S C 1.348 175.978 174.600 0.050 0.000 1.314 52 S CA 0.343 58.598 58.200 0.091 0.000 1.062 52 S CB 1.348 64.692 63.200 0.240 0.000 0.865 52 S HN 0.294 nan 8.310 nan 0.000 0.498 53 R N 3.463 123.966 120.500 0.005 0.000 2.153 53 R HA 0.001 4.341 4.340 0.001 0.000 0.218 53 R C 1.675 177.925 176.300 -0.084 0.000 1.072 53 R CA 1.702 57.787 56.100 -0.025 0.000 0.990 53 R CB -1.473 28.811 30.300 -0.027 0.000 0.889 53 R HN 0.861 nan 8.270 nan 0.000 0.452 54 D N -0.574 119.722 120.400 -0.174 0.000 2.117 54 D HA -0.102 4.539 4.640 0.001 0.000 0.197 54 D C 1.047 177.054 176.300 -0.488 0.000 0.987 54 D CA 1.541 55.293 54.000 -0.414 0.000 0.829 54 D CB 0.057 40.423 40.800 -0.723 0.000 0.961 54 D HN 0.635 nan 8.370 nan 0.000 0.460 55 Y N 0.293 120.589 120.300 -0.008 0.000 2.458 55 Y HA 0.110 4.661 4.550 0.001 0.000 0.254 55 Y C 1.852 177.748 175.900 -0.006 0.000 1.120 55 Y CA -0.340 57.755 58.100 -0.008 0.000 1.282 55 Y CB -0.408 38.042 38.460 -0.016 0.000 1.109 55 Y HN -0.074 nan 8.280 nan 0.000 0.526 56 N N 1.676 120.440 118.700 0.107 0.000 2.137 56 N HA -0.171 4.570 4.740 0.001 0.000 0.190 56 N C -1.114 174.428 175.510 0.053 0.000 1.017 56 N CA 1.504 54.594 53.050 0.067 0.000 0.859 56 N CB -0.788 37.721 38.487 0.038 0.000 1.002 56 N HN 0.214 nan 8.380 nan 0.000 0.428 57 P HA -0.056 nan 4.420 nan 0.000 0.221 57 P C 0.624 177.952 177.300 0.045 0.000 1.145 57 P CA 1.550 64.670 63.100 0.032 0.000 0.795 57 P CB -0.150 31.559 31.700 0.016 0.000 0.775 58 T N -5.691 108.901 114.554 0.063 0.000 3.091 58 T HA 0.516 4.866 4.350 0.001 0.000 0.277 58 T C 0.620 175.364 174.700 0.073 0.000 0.996 58 T CA -0.434 61.706 62.100 0.066 0.000 0.897 58 T CB -0.163 68.747 68.868 0.069 0.000 1.109 58 T HN -0.005 nan 8.240 nan 0.000 0.534 59 A N 1.188 124.053 122.820 0.074 0.000 2.454 59 A HA 0.611 4.932 4.320 0.001 0.000 0.260 59 A C 1.428 179.055 177.584 0.072 0.000 1.106 59 A CA -0.414 51.662 52.037 0.065 0.000 0.780 59 A CB 0.276 19.308 19.000 0.054 0.000 1.044 59 A HN 0.298 nan 8.150 nan 0.000 0.498 60 S N 1.236 116.990 115.700 0.089 0.000 2.387 60 S HA -0.057 4.414 4.470 0.001 0.000 0.226 60 S C 0.818 175.500 174.600 0.137 0.000 1.026 60 S CA 0.891 59.165 58.200 0.122 0.000 0.972 60 S CB -0.091 63.207 63.200 0.162 0.000 0.814 60 S HN 0.580 nan 8.310 nan 0.000 0.477 61 V N 3.502 123.484 119.914 0.114 0.000 2.352 61 V HA 0.150 4.271 4.120 0.001 0.000 0.253 61 V C 1.017 177.147 176.094 0.060 0.000 1.083 61 V CA -0.057 62.307 62.300 0.106 0.000 0.993 61 V CB 0.398 32.218 31.823 -0.006 0.000 1.111 61 V HN 0.320 nan 8.190 nan 0.000 0.490 62 K N 3.562 124.010 120.400 0.081 0.000 2.160 62 K HA -0.113 4.207 4.320 0.001 0.000 0.206 62 K C 0.992 177.612 176.600 0.033 0.000 1.047 62 K CA 0.957 57.278 56.287 0.056 0.000 0.930 62 K CB -0.121 32.416 32.500 0.062 0.000 0.720 62 K HN 0.586 nan 8.250 nan 0.000 0.450 63 M N 0.029 119.649 119.600 0.034 0.000 2.302 63 M HA -0.209 4.272 4.480 0.001 0.000 0.200 63 M C -0.826 175.468 176.300 -0.010 0.000 0.366 63 M CA 0.754 56.064 55.300 0.016 0.000 0.440 63 M CB -2.452 30.148 32.600 -0.000 0.000 1.475 63 M HN 0.117 nan 8.290 nan 0.000 0.905 64 L N 1.338 122.559 121.223 -0.003 0.000 2.540 64 L HA 0.066 4.406 4.340 0.001 0.000 0.276 64 L C -1.525 175.308 176.870 -0.062 0.000 1.212 64 L CA -1.091 53.740 54.840 -0.015 0.000 0.893 64 L CB 0.063 42.126 42.059 0.007 0.000 1.138 64 L HN 0.047 nan 8.230 nan 0.000 0.491 65 P HA 0.118 nan 4.420 nan 0.000 0.281 65 P C -0.354 176.823 177.300 -0.204 0.000 1.286 65 P CA -0.409 62.563 63.100 -0.213 0.000 0.772 65 P CB 0.975 32.513 31.700 -0.269 0.000 0.862 66 T N -0.189 114.236 114.554 -0.216 0.000 2.824 66 T HA 0.400 4.750 4.350 0.001 0.000 0.277 66 T C 0.047 174.606 174.700 -0.235 0.000 0.975 66 T CA -0.313 61.734 62.100 -0.088 0.000 0.966 66 T CB 0.365 69.191 68.868 -0.071 0.000 1.054 66 T HN 0.040 nan 8.240 nan 0.000 0.533 67 F N 0.513 120.431 119.950 -0.053 0.000 2.923 67 F HA 0.422 4.950 4.527 0.001 0.000 0.314 67 F C -0.209 175.561 175.800 -0.050 0.000 1.196 67 F CA -0.731 57.237 58.000 -0.053 0.000 1.320 67 F CB 0.472 39.440 39.000 -0.054 0.000 0.953 67 F HN 0.252 nan 8.300 nan 0.000 0.505 68 V N 0.986 120.884 119.914 -0.027 0.000 2.370 68 V HA 0.332 4.452 4.120 0.001 0.000 0.283 68 V C 0.937 176.989 176.094 -0.070 0.000 1.023 68 V CA -0.511 61.773 62.300 -0.026 0.000 0.857 68 V CB 1.711 33.516 31.823 -0.031 0.000 0.985 68 V HN 0.338 nan 8.190 nan 0.000 0.443 69 R N 2.275 122.749 120.500 -0.043 0.000 2.334 69 R HA 0.262 4.603 4.340 0.001 0.000 0.212 69 R C 0.238 176.513 176.300 -0.042 0.000 0.897 69 R CA 0.418 56.485 56.100 -0.055 0.000 1.056 69 R CB 0.743 31.021 30.300 -0.036 0.000 1.046 69 R HN 0.810 nan 8.270 nan 0.000 0.513 70 S N -0.181 115.502 115.700 -0.028 0.000 2.565 70 S HA 0.293 4.763 4.470 0.001 0.000 0.274 70 S C -0.253 174.342 174.600 -0.008 0.000 1.144 70 S CA -1.254 56.935 58.200 -0.019 0.000 0.849 70 S CB 0.907 64.101 63.200 -0.010 0.000 1.103 70 S HN 0.242 nan 8.310 nan 0.000 0.455 71 I N -1.042 119.526 120.570 -0.003 0.000 2.945 71 I HA 0.563 4.733 4.170 0.001 0.000 0.292 71 I C -2.626 173.505 176.117 0.024 0.000 1.093 71 I CA -2.217 59.090 61.300 0.012 0.000 1.336 71 I CB -0.420 37.587 38.000 0.011 0.000 1.435 71 I HN 0.347 nan 8.210 nan 0.000 0.593 72 P HA -0.012 nan 4.420 nan 0.000 0.265 72 P C -0.798 176.517 177.300 0.025 0.000 1.187 72 P CA 0.358 63.507 63.100 0.081 0.000 0.766 72 P CB 0.315 32.148 31.700 0.221 0.000 0.820 73 D N 0.898 121.314 120.400 0.027 0.000 2.500 73 D HA 0.157 4.798 4.640 0.001 0.000 0.217 73 D C 1.252 177.547 176.300 -0.007 0.000 1.159 73 D CA 0.209 54.206 54.000 -0.005 0.000 0.828 73 D CB -0.228 40.575 40.800 0.005 0.000 1.039 73 D HN 0.541 nan 8.370 nan 0.000 0.512 74 G N 0.679 109.496 108.800 0.027 0.000 2.195 74 G HA2 -0.354 3.607 3.960 0.001 0.000 0.246 74 G HA3 -0.354 3.607 3.960 0.001 0.000 0.246 74 G C 1.199 176.146 174.900 0.077 0.000 0.984 74 G CA 0.636 45.763 45.100 0.046 0.000 0.633 74 G HN 0.693 nan 8.290 nan 0.000 0.525 75 S N -0.087 115.656 115.700 0.071 0.000 2.555 75 S HA 0.251 4.721 4.470 0.001 0.000 0.230 75 S C 0.637 175.299 174.600 0.104 0.000 0.978 75 S CA 1.109 59.355 58.200 0.076 0.000 0.934 75 S CB 0.203 63.440 63.200 0.063 0.000 0.766 75 S HN 0.575 nan 8.310 nan 0.000 0.533 76 E N 2.060 122.335 120.200 0.126 0.000 2.344 76 E HA 0.613 4.963 4.350 0.001 0.000 0.270 76 E C -0.003 176.707 176.600 0.182 0.000 1.021 76 E CA 0.284 56.775 56.400 0.151 0.000 0.887 76 E CB 0.614 30.391 29.700 0.129 0.000 0.997 76 E HN 0.517 nan 8.360 nan 0.000 0.429 77 K N 0.848 121.385 120.400 0.229 0.000 2.542 77 K HA 0.792 5.112 4.320 0.001 0.000 0.259 77 K C -0.159 176.581 176.600 0.233 0.000 0.932 77 K CA -0.481 55.929 56.287 0.205 0.000 0.820 77 K CB 1.523 34.103 32.500 0.133 0.000 1.345 77 K HN 1.007 nan 8.250 nan 0.000 0.432 78 G N 1.094 109.959 108.800 0.108 0.000 2.392 78 G HA2 0.369 4.329 3.960 0.001 0.000 0.677 78 G HA3 0.369 4.329 3.960 0.001 0.000 0.677 78 G C -1.832 172.813 174.900 -0.424 0.000 1.334 78 G CA -0.077 44.902 45.100 -0.202 0.000 0.961 78 G HN 1.656 nan 8.290 nan 0.000 0.616 79 D N -0.578 119.458 120.400 -0.606 0.000 2.280 79 D HA 0.726 5.366 4.640 0.001 0.000 0.236 79 D C -0.260 175.606 176.300 -0.723 0.000 1.082 79 D CA -0.556 53.175 54.000 -0.447 0.000 0.834 79 D CB 0.995 41.675 40.800 -0.199 0.000 1.100 79 D HN 0.351 nan 8.370 nan 0.000 0.486 80 F N 0.431 120.356 119.950 -0.041 0.000 2.639 80 F HA 0.598 5.125 4.527 0.001 0.000 0.339 80 F C 0.170 175.956 175.800 -0.023 0.000 1.071 80 F CA -1.391 56.579 58.000 -0.050 0.000 0.994 80 F CB 1.150 40.121 39.000 -0.048 0.000 1.341 80 F HN 0.149 nan 8.300 nan 0.000 0.498 81 I N 0.986 121.660 120.570 0.173 0.000 2.569 81 I HA 0.700 4.870 4.170 0.001 0.000 0.296 81 I C -0.809 175.324 176.117 0.026 0.000 1.028 81 I CA -0.907 60.431 61.300 0.063 0.000 1.082 81 I CB 1.905 39.912 38.000 0.012 0.000 1.264 81 I HN 0.667 nan 8.210 nan 0.000 0.429 82 A N 7.104 129.889 122.820 -0.058 0.000 2.371 82 A HA 0.841 5.162 4.320 0.001 0.000 0.311 82 A C -1.098 176.424 177.584 -0.104 0.000 1.068 82 A CA -0.508 51.504 52.037 -0.041 0.000 0.744 82 A CB 1.248 20.234 19.000 -0.024 0.000 1.239 82 A HN 0.656 nan 8.150 nan 0.000 0.435 83 L N 1.960 123.177 121.223 -0.009 0.000 2.322 83 L HA 0.484 4.824 4.340 0.001 0.000 0.281 83 L C -0.965 176.047 176.870 0.237 0.000 1.014 83 L CA -0.713 54.144 54.840 0.028 0.000 0.815 83 L CB 1.888 43.891 42.059 -0.092 0.000 1.247 83 L HN 0.664 nan 8.230 nan 0.000 0.421 84 D N 4.035 124.580 120.400 0.241 0.000 2.481 84 D HA 0.529 5.170 4.640 0.001 0.000 0.246 84 D C -1.557 175.022 176.300 0.464 0.000 1.109 84 D CA -0.240 53.928 54.000 0.280 0.000 0.845 84 D CB 2.035 42.910 40.800 0.126 0.000 1.160 84 D HN 0.247 nan 8.370 nan 0.000 0.534 85 L N 3.006 124.516 121.223 0.478 0.000 2.470 85 L HA 0.699 5.040 4.340 0.001 0.000 0.268 85 L C 0.582 177.530 176.870 0.132 0.000 0.964 85 L CA 0.241 55.349 54.840 0.448 0.000 0.839 85 L CB 1.903 44.288 42.059 0.542 0.000 1.276 85 L HN 0.563 nan 8.230 nan 0.000 0.403 86 G N 2.288 111.108 108.800 0.034 0.000 2.551 86 G HA2 -0.081 3.879 3.960 0.001 0.000 0.186 86 G HA3 -0.081 3.879 3.960 0.001 0.000 0.186 86 G C 0.381 175.202 174.900 -0.131 0.000 1.002 86 G CA 0.043 44.948 45.100 -0.326 0.000 0.723 86 G HN 1.136 nan 8.290 nan 0.000 0.481 87 G N 0.797 109.598 108.800 0.002 0.000 2.873 87 G HA2 0.453 4.413 3.960 0.001 0.000 0.170 87 G HA3 0.453 4.413 3.960 0.001 0.000 0.170 87 G C 1.654 176.610 174.900 0.093 0.000 1.608 87 G CA 1.636 46.745 45.100 0.015 0.000 1.084 87 G HN 1.196 nan 8.290 nan 0.000 0.563 88 S N -1.825 113.921 115.700 0.078 0.000 2.486 88 S HA 0.330 4.800 4.470 0.001 0.000 0.220 88 S C 0.839 175.510 174.600 0.117 0.000 1.011 88 S CA 0.433 58.681 58.200 0.079 0.000 0.921 88 S CB 0.216 63.441 63.200 0.040 0.000 0.785 88 S HN 0.319 nan 8.310 nan 0.000 0.517 89 S N 0.721 116.508 115.700 0.144 0.000 2.569 89 S HA 0.620 5.091 4.470 0.001 0.000 0.280 89 S C -1.708 173.060 174.600 0.279 0.000 1.111 89 S CA -0.679 57.631 58.200 0.184 0.000 0.887 89 S CB 1.486 64.754 63.200 0.114 0.000 1.095 89 S HN 0.342 nan 8.310 nan 0.000 0.476 90 F N 3.342 123.388 119.950 0.159 0.000 2.303 90 F HA 0.537 5.064 4.527 0.001 0.000 0.368 90 F C 0.021 175.921 175.800 0.166 0.000 1.105 90 F CA -0.843 57.260 58.000 0.172 0.000 1.153 90 F CB -0.103 39.014 39.000 0.194 0.000 1.362 90 F HN 0.424 nan 8.300 nan 0.000 0.511 91 R N 5.533 125.957 120.500 -0.126 0.000 2.598 91 R HA 0.705 5.045 4.340 0.001 0.000 0.279 91 R C -0.967 175.075 176.300 -0.431 0.000 0.984 91 R CA -0.831 55.133 56.100 -0.228 0.000 0.999 91 R CB 1.956 32.206 30.300 -0.084 0.000 1.114 91 R HN 0.592 nan 8.270 nan 0.000 0.493 92 I N 4.156 124.444 120.570 -0.470 0.000 2.468 92 I HA 0.276 4.447 4.170 0.001 0.000 0.285 92 I C -1.155 174.471 176.117 -0.818 0.000 1.039 92 I CA -0.769 60.092 61.300 -0.731 0.000 1.074 92 I CB 1.441 38.816 38.000 -1.040 0.000 1.228 92 I HN 0.241 nan 8.210 nan 0.000 0.436 93 L N 5.935 126.837 121.223 -0.534 0.000 2.304 93 L HA 0.642 4.983 4.340 0.001 0.000 0.268 93 L C 0.040 176.844 176.870 -0.110 0.000 1.010 93 L CA -0.677 54.017 54.840 -0.243 0.000 0.813 93 L CB 1.058 43.068 42.059 -0.082 0.000 1.315 93 L HN 0.462 nan 8.230 nan 0.000 0.445 94 R N 0.822 121.416 120.500 0.157 0.000 2.467 94 R HA 0.605 4.946 4.340 0.001 0.000 0.299 94 R C -1.775 174.604 176.300 0.133 0.000 1.120 94 R CA -0.341 55.884 56.100 0.209 0.000 0.940 94 R CB 1.238 31.724 30.300 0.311 0.000 1.161 94 R HN 0.519 nan 8.270 nan 0.000 0.506 95 V N 2.305 122.296 119.914 0.127 0.000 2.644 95 V HA 0.588 4.708 4.120 0.001 0.000 0.295 95 V C 0.328 176.516 176.094 0.157 0.000 1.053 95 V CA -0.439 61.932 62.300 0.119 0.000 0.987 95 V CB 1.323 33.206 31.823 0.100 0.000 1.006 95 V HN 0.809 nan 8.190 nan 0.000 0.472 96 Q N 2.752 122.615 119.800 0.105 0.000 2.295 96 Q HA 0.680 5.021 4.340 0.001 0.000 0.259 96 Q C -1.149 174.901 176.000 0.083 0.000 0.966 96 Q CA -0.511 55.336 55.803 0.073 0.000 0.763 96 Q CB 1.680 30.428 28.738 0.016 0.000 1.283 96 Q HN 0.683 nan 8.270 nan 0.000 0.445 105 V N 1.079 121.018 119.914 0.042 0.000 2.385 105 V HA 0.752 4.872 4.120 0.001 0.000 0.269 105 V C 0.845 176.937 176.094 -0.002 0.000 1.043 105 V CA 0.201 62.482 62.300 -0.031 0.000 0.906 105 V CB 0.290 31.997 31.823 -0.194 0.000 0.995 105 V HN 1.340 nan 8.190 nan 0.000 0.467 106 S N 7.007 122.715 115.700 0.014 0.000 2.566 106 S HA 0.847 5.318 4.470 0.001 0.000 0.324 106 S C -0.308 174.308 174.600 0.026 0.000 1.081 106 S CA -0.788 57.424 58.200 0.020 0.000 1.105 106 S CB 0.760 63.974 63.200 0.023 0.000 0.981 106 S HN 0.752 nan 8.310 nan 0.000 0.464 107 M N 0.441 120.056 119.600 0.024 0.000 2.535 107 M HA 0.934 5.415 4.480 0.001 0.000 0.314 107 M C -0.515 175.816 176.300 0.050 0.000 1.153 107 M CA -0.846 54.476 55.300 0.037 0.000 0.924 107 M CB 1.450 34.061 32.600 0.018 0.000 1.710 107 M HN 0.491 nan 8.290 nan 0.000 0.451 108 E N 1.251 121.503 120.200 0.088 0.000 2.220 108 E HA 0.681 5.031 4.350 0.001 0.000 0.256 108 E C -0.746 175.956 176.600 0.171 0.000 0.881 108 E CA -0.266 56.205 56.400 0.119 0.000 0.766 108 E CB 1.283 31.059 29.700 0.127 0.000 1.187 108 E HN 1.047 nan 8.360 nan 0.000 0.419 109 S N 0.877 116.639 115.700 0.103 0.000 2.707 109 S HA 0.829 5.299 4.470 0.001 0.000 0.276 109 S C 0.176 174.844 174.600 0.114 0.000 1.179 109 S CA -0.395 57.842 58.200 0.061 0.000 0.992 109 S CB 0.939 64.144 63.200 0.009 0.000 1.030 109 S HN 0.542 nan 8.310 nan 0.000 0.554 110 E N 0.173 120.395 120.200 0.037 0.000 2.397 110 E HA 0.467 4.817 4.350 0.001 0.000 0.293 110 E C -1.819 174.735 176.600 -0.077 0.000 0.930 110 E CA -0.293 56.124 56.400 0.029 0.000 0.793 110 E CB 0.840 30.717 29.700 0.295 0.000 1.259 110 E HN 0.535 nan 8.360 nan 0.000 0.406 111 I N 4.304 124.771 120.570 -0.172 0.000 2.392 111 I HA 0.385 4.556 4.170 0.001 0.000 0.295 111 I C -0.697 175.255 176.117 -0.276 0.000 0.985 111 I CA -0.876 60.353 61.300 -0.117 0.000 1.221 111 I CB 0.815 38.788 38.000 -0.046 0.000 1.366 111 I HN 0.492 nan 8.210 nan 0.000 0.467 112 Y N 2.848 123.138 120.300 -0.017 0.000 2.350 112 Y HA 0.284 4.835 4.550 0.001 0.000 0.338 112 Y C -0.290 175.776 175.900 0.276 0.000 0.961 112 Y CA -1.123 57.056 58.100 0.132 0.000 1.100 112 Y CB 1.203 39.753 38.460 0.150 0.000 1.179 112 Y HN 0.538 nan 8.280 nan 0.000 0.454 113 D N 1.181 121.779 120.400 0.329 0.000 2.389 113 D HA 0.264 4.905 4.640 0.001 0.000 0.247 113 D C -0.425 176.088 176.300 0.355 0.000 1.128 113 D CA 0.379 54.532 54.000 0.255 0.000 0.884 113 D CB 0.702 41.578 40.800 0.127 0.000 1.194 113 D HN 0.402 nan 8.370 nan 0.000 0.441 114 T N 3.165 117.871 114.554 0.254 0.000 3.226 114 T HA 0.260 4.611 4.350 0.001 0.000 0.378 114 T C -2.314 172.356 174.700 -0.049 0.000 1.380 114 T CA -1.250 60.956 62.100 0.177 0.000 1.396 114 T CB 0.673 69.703 68.868 0.270 0.000 1.044 114 T HN 0.271 nan 8.240 nan 0.000 0.586 115 P HA -0.001 nan 4.420 nan 0.000 0.270 115 P C 0.351 177.568 177.300 -0.138 0.000 1.216 115 P CA -0.137 62.900 63.100 -0.105 0.000 0.788 115 P CB 0.948 32.586 31.700 -0.103 0.000 0.883 116 E N 0.841 120.992 120.200 -0.082 0.000 2.888 116 E HA -0.075 4.276 4.350 0.001 0.000 0.271 116 E C 0.775 177.375 176.600 0.000 0.000 1.527 116 E CA 0.106 56.498 56.400 -0.013 0.000 1.700 116 E CB -0.675 29.051 29.700 0.043 0.000 1.410 116 E HN 0.456 nan 8.360 nan 0.000 0.445 117 N N -0.126 118.526 118.700 -0.081 0.000 2.160 117 N HA -0.040 4.700 4.740 0.001 0.000 0.242 117 N C 1.171 176.611 175.510 -0.117 0.000 1.204 117 N CA -0.098 52.909 53.050 -0.072 0.000 0.813 117 N CB 0.204 38.648 38.487 -0.072 0.000 1.384 117 N HN 0.057 nan 8.380 nan 0.000 0.476 118 I N 1.511 121.973 120.570 -0.179 0.000 2.400 118 I HA 0.033 4.204 4.170 0.001 0.000 0.248 118 I C 2.303 178.249 176.117 -0.285 0.000 1.109 118 I CA 0.643 61.826 61.300 -0.194 0.000 1.425 118 I CB -0.108 37.763 38.000 -0.215 0.000 1.094 118 I HN -0.067 nan 8.210 nan 0.000 0.425 119 V N -0.128 119.521 119.914 -0.441 0.000 2.307 119 V HA -0.272 3.848 4.120 0.001 0.000 0.245 119 V C 1.580 177.214 176.094 -0.767 0.000 1.045 119 V CA 1.915 63.719 62.300 -0.827 0.000 1.024 119 V CB -0.871 30.304 31.823 -1.080 0.000 0.651 119 V HN 0.477 nan 8.190 nan 0.000 0.449 120 H N -0.613 118.246 119.070 -0.350 0.000 2.519 120 H HA 0.393 4.949 4.556 0.001 0.000 0.289 120 H C 1.249 176.466 175.328 -0.185 0.000 1.040 120 H CA 0.301 56.189 56.048 -0.268 0.000 1.165 120 H CB -0.013 29.633 29.762 -0.193 0.000 1.462 120 H HN 0.460 nan 8.280 nan 0.000 0.555 121 G N -0.204 108.526 108.800 -0.117 0.000 3.086 121 G HA2 0.193 4.153 3.960 0.001 0.000 0.159 121 G HA3 0.193 4.153 3.960 0.001 0.000 0.159 121 G C -0.165 174.718 174.900 -0.029 0.000 1.654 121 G CA -0.514 44.549 45.100 -0.062 0.000 1.078 121 G HN 0.293 nan 8.290 nan 0.000 0.558 122 S N -0.844 114.853 115.700 -0.005 0.000 2.549 122 S HA 0.493 4.964 4.470 0.001 0.000 0.297 122 S C 1.325 175.965 174.600 0.067 0.000 1.115 122 S CA -0.018 58.209 58.200 0.045 0.000 1.059 122 S CB 1.584 64.814 63.200 0.051 0.000 1.046 122 S HN 0.770 nan 8.310 nan 0.000 0.506 123 G N 1.311 110.199 108.800 0.147 0.000 2.432 123 G HA2 -0.182 3.778 3.960 0.001 0.000 0.219 123 G HA3 -0.182 3.778 3.960 0.001 0.000 0.219 123 G C 1.113 176.180 174.900 0.278 0.000 1.135 123 G CA 1.312 46.554 45.100 0.237 0.000 0.767 123 G HN 0.689 nan 8.290 nan 0.000 0.550 124 T N 0.275 114.953 114.554 0.207 0.000 2.701 124 T HA -0.150 4.200 4.350 0.001 0.000 0.263 124 T C 2.233 177.020 174.700 0.145 0.000 1.040 124 T CA 1.451 63.663 62.100 0.187 0.000 1.147 124 T CB -0.324 68.614 68.868 0.115 0.000 0.865 124 T HN 0.390 nan 8.240 nan 0.000 0.426 125 Q N 0.484 120.335 119.800 0.085 0.000 2.061 125 Q HA -0.098 4.243 4.340 0.001 0.000 0.204 125 Q C 2.339 178.368 176.000 0.047 0.000 0.984 125 Q CA 1.195 57.029 55.803 0.052 0.000 0.846 125 Q CB -0.322 28.424 28.738 0.013 0.000 0.902 125 Q HN 0.495 nan 8.270 nan 0.000 0.421 126 L N -0.203 121.013 121.223 -0.012 0.000 1.970 126 L HA -0.215 4.125 4.340 0.001 0.000 0.212 126 L C 2.154 178.955 176.870 -0.115 0.000 1.071 126 L CA 1.632 56.405 54.840 -0.111 0.000 0.751 126 L CB -0.342 41.556 42.059 -0.270 0.000 0.889 126 L HN 0.292 nan 8.230 nan 0.000 0.432 127 F N 0.278 120.280 119.950 0.087 0.000 2.269 127 F HA -0.213 4.315 4.527 0.001 0.000 0.301 127 F C 2.370 178.188 175.800 0.030 0.000 1.082 127 F CA 1.088 59.117 58.000 0.048 0.000 1.360 127 F CB -0.583 38.447 39.000 0.049 0.000 1.041 127 F HN 0.226 nan 8.300 nan 0.000 0.512 128 D N -1.371 119.147 120.400 0.197 0.000 2.149 128 D HA -0.180 4.460 4.640 0.001 0.000 0.201 128 D C 2.089 178.479 176.300 0.151 0.000 0.972 128 D CA 1.234 55.319 54.000 0.143 0.000 0.835 128 D CB -0.332 40.536 40.800 0.113 0.000 0.966 128 D HN 0.312 nan 8.370 nan 0.000 0.476 129 H N 0.873 119.962 119.070 0.032 0.000 2.326 129 H HA -0.029 4.528 4.556 0.001 0.000 0.301 129 H C 1.972 177.317 175.328 0.028 0.000 1.081 129 H CA 1.160 57.221 56.048 0.021 0.000 1.334 129 H CB -0.361 29.381 29.762 -0.033 0.000 1.385 129 H HN -0.131 nan 8.280 nan 0.000 0.504 130 V N 0.956 120.749 119.914 -0.203 0.000 2.343 130 V HA -0.253 3.868 4.120 0.001 0.000 0.247 130 V C 2.813 178.904 176.094 -0.006 0.000 1.051 130 V CA 1.771 63.932 62.300 -0.231 0.000 1.036 130 V CB -1.389 30.342 31.823 -0.154 0.000 0.654 130 V HN 0.669 nan 8.190 nan 0.000 0.451 131 A N 0.209 123.070 122.820 0.069 0.000 1.902 131 A HA -0.235 4.085 4.320 0.001 0.000 0.217 131 A C 2.132 179.817 177.584 0.169 0.000 1.181 131 A CA 2.340 54.461 52.037 0.139 0.000 0.623 131 A CB -1.263 17.804 19.000 0.112 0.000 0.818 131 A HN 0.600 nan 8.150 nan 0.000 0.443 132 D N -0.828 119.646 120.400 0.123 0.000 2.092 132 D HA -0.227 4.414 4.640 0.001 0.000 0.193 132 D C 1.938 178.294 176.300 0.094 0.000 0.994 132 D CA 1.754 55.839 54.000 0.141 0.000 0.828 132 D CB -1.215 39.682 40.800 0.163 0.000 0.963 132 D HN 0.530 nan 8.370 nan 0.000 0.450 133 C N -0.240 119.047 119.300 -0.022 0.000 2.413 133 C HA -0.003 4.458 4.460 0.001 0.000 0.276 133 C C 2.724 177.492 174.990 -0.371 0.000 1.248 133 C CA 0.954 59.767 59.018 -0.343 0.000 1.742 133 C CB -0.950 26.431 27.740 -0.599 0.000 2.017 133 C HN 0.639 nan 8.230 nan 0.000 0.481 134 L N 2.048 123.164 121.223 -0.178 0.000 2.046 134 L HA 0.055 4.396 4.340 0.001 0.000 0.208 134 L C 2.415 179.205 176.870 -0.133 0.000 1.077 134 L CA 2.442 57.192 54.840 -0.150 0.000 0.747 134 L CB -1.410 40.603 42.059 -0.077 0.000 0.896 134 L HN 0.312 nan 8.230 nan 0.000 0.432 135 G N -0.936 107.888 108.800 0.040 0.000 2.418 135 G HA2 -0.321 3.639 3.960 0.001 0.000 0.217 135 G HA3 -0.321 3.639 3.960 0.001 0.000 0.217 135 G C 1.421 176.366 174.900 0.074 0.000 1.158 135 G CA 0.774 45.955 45.100 0.135 0.000 0.771 135 G HN 0.543 nan 8.290 nan 0.000 0.545 136 D N -0.090 120.377 120.400 0.113 0.000 2.084 136 D HA -0.169 4.472 4.640 0.001 0.000 0.194 136 D C 2.119 178.516 176.300 0.162 0.000 0.990 136 D CA 0.800 54.898 54.000 0.165 0.000 0.826 136 D CB -0.217 40.761 40.800 0.297 0.000 0.971 136 D HN 0.215 nan 8.370 nan 0.000 0.453 137 F N 1.289 121.259 119.950 0.033 0.000 2.043 137 F HA -0.197 4.331 4.527 0.001 0.000 0.297 137 F C 2.654 178.424 175.800 -0.050 0.000 1.121 137 F CA 1.746 59.762 58.000 0.027 0.000 1.199 137 F CB -0.517 38.451 39.000 -0.053 0.000 0.968 137 F HN -0.077 nan 8.300 nan 0.000 0.478 138 M N 0.109 119.684 119.600 -0.041 0.000 2.202 138 M HA -0.169 4.311 4.480 0.001 0.000 0.262 138 M C 2.273 178.480 176.300 -0.155 0.000 1.063 138 M CA 1.952 57.156 55.300 -0.161 0.000 1.097 138 M CB -1.019 31.443 32.600 -0.230 0.000 1.382 138 M HN 0.407 nan 8.290 nan 0.000 0.413 139 E N 1.414 121.559 120.200 -0.092 0.000 2.005 139 E HA -0.164 4.187 4.350 0.001 0.000 0.191 139 E C 1.833 178.374 176.600 -0.099 0.000 0.987 139 E CA 1.618 57.985 56.400 -0.056 0.000 0.814 139 E CB -0.750 28.952 29.700 0.003 0.000 0.772 139 E HN 0.546 nan 8.360 nan 0.000 0.453 140 K N -0.065 120.273 120.400 -0.103 0.000 2.071 140 K HA -0.231 4.089 4.320 0.001 0.000 0.217 140 K C 2.311 178.787 176.600 -0.206 0.000 1.054 140 K CA 1.923 58.129 56.287 -0.135 0.000 0.937 140 K CB -0.116 32.299 32.500 -0.142 0.000 0.719 140 K HN 0.083 nan 8.250 nan 0.000 0.454 141 K N 0.254 120.443 120.400 -0.351 0.000 2.439 141 K HA -0.058 4.262 4.320 0.001 0.000 0.197 141 K C 0.625 177.094 176.600 -0.219 0.000 1.041 141 K CA 1.127 57.192 56.287 -0.370 0.000 0.970 141 K CB -0.148 31.958 32.500 -0.656 0.000 0.773 141 K HN 0.322 nan 8.250 nan 0.000 0.479 142 K N 1.364 121.664 120.400 -0.166 0.000 3.393 142 K HA -0.156 4.165 4.320 0.001 0.000 0.272 142 K C 0.626 177.166 176.600 -0.101 0.000 1.004 142 K CA 1.410 57.632 56.287 -0.109 0.000 0.764 142 K CB -3.036 29.412 32.500 -0.086 0.000 1.373 142 K HN 0.586 nan 8.250 nan 0.000 0.458 143 I N -4.370 116.135 120.570 -0.109 0.000 4.541 143 I HA 0.197 4.367 4.170 0.001 0.000 0.337 143 I C 1.709 177.780 176.117 -0.076 0.000 1.338 143 I CA -0.351 60.894 61.300 -0.092 0.000 1.244 143 I CB 0.569 38.508 38.000 -0.101 0.000 1.417 143 I HN 0.162 nan 8.210 nan 0.000 0.501 144 K N 2.395 122.752 120.400 -0.071 0.000 2.173 144 K HA -0.217 4.104 4.320 0.001 0.000 0.207 144 K C 1.961 178.555 176.600 -0.010 0.000 1.046 144 K CA 2.558 58.821 56.287 -0.041 0.000 0.929 144 K CB -0.613 31.885 32.500 -0.003 0.000 0.720 144 K HN 0.715 nan 8.250 nan 0.000 0.453 145 D N 1.226 121.615 120.400 -0.018 0.000 2.084 145 D HA -0.066 4.575 4.640 0.001 0.000 0.196 145 D C 1.210 177.497 176.300 -0.021 0.000 0.985 145 D CA 1.638 55.631 54.000 -0.012 0.000 0.826 145 D CB -0.573 40.216 40.800 -0.018 0.000 0.978 145 D HN 0.369 nan 8.370 nan 0.000 0.456 146 K N -0.088 120.288 120.400 -0.040 0.000 2.489 146 K HA 0.538 4.859 4.320 0.001 0.000 0.278 146 K C 0.381 176.947 176.600 -0.058 0.000 1.000 146 K CA 0.405 56.659 56.287 -0.055 0.000 1.012 146 K CB -0.865 31.590 32.500 -0.074 0.000 0.903 146 K HN 0.992 nan 8.250 nan 0.000 0.485 147 K N 3.240 123.603 120.400 -0.062 0.000 2.273 147 K HA 0.574 4.895 4.320 0.001 0.000 0.287 147 K C -0.195 176.332 176.600 -0.122 0.000 1.089 147 K CA -0.350 55.900 56.287 -0.061 0.000 0.909 147 K CB -0.250 32.229 32.500 -0.036 0.000 1.123 147 K HN 0.586 nan 8.250 nan 0.000 0.473 148 L N 3.431 124.584 121.223 -0.118 0.000 2.346 148 L HA 0.503 4.844 4.340 0.001 0.000 0.274 148 L C -2.468 174.324 176.870 -0.131 0.000 1.007 148 L CA -2.499 52.236 54.840 -0.174 0.000 0.818 148 L CB 2.390 44.360 42.059 -0.148 0.000 1.284 148 L HN 0.419 nan 8.230 nan 0.000 0.424 149 P HA 0.163 nan 4.420 nan 0.000 0.276 149 P C -0.846 176.506 177.300 0.088 0.000 1.230 149 P CA -0.246 62.838 63.100 -0.026 0.000 0.776 149 P CB 1.075 32.781 31.700 0.010 0.000 0.888 150 V N 3.317 123.273 119.914 0.070 0.000 2.435 150 V HA 0.673 4.794 4.120 0.001 0.000 0.290 150 V C 0.773 176.913 176.094 0.076 0.000 1.030 150 V CA -0.324 62.008 62.300 0.054 0.000 0.881 150 V CB 1.612 33.438 31.823 0.004 0.000 0.983 150 V HN 0.725 nan 8.190 nan 0.000 0.445 151 G N 3.087 111.932 108.800 0.075 0.000 2.416 151 G HA2 0.623 4.584 3.960 0.001 0.000 0.329 151 G HA3 0.623 4.584 3.960 0.001 0.000 0.329 151 G C -1.455 173.559 174.900 0.190 0.000 1.173 151 G CA -0.295 44.865 45.100 0.101 0.000 0.929 151 G HN 0.393 nan 8.290 nan 0.000 0.475 152 F N 2.242 122.217 119.950 0.042 0.000 2.434 152 F HA 0.460 4.988 4.527 0.001 0.000 0.355 152 F C 0.189 176.062 175.800 0.122 0.000 1.115 152 F CA -1.380 56.671 58.000 0.085 0.000 1.010 152 F CB 1.606 40.643 39.000 0.062 0.000 1.234 152 F HN 0.248 nan 8.300 nan 0.000 0.439 153 T N 7.324 122.175 114.554 0.496 0.000 2.863 153 T HA 0.174 4.525 4.350 0.001 0.000 0.299 153 T C -0.671 174.171 174.700 0.237 0.000 0.973 153 T CA 0.098 62.343 62.100 0.241 0.000 0.994 153 T CB -0.633 68.331 68.868 0.159 0.000 0.961 153 T HN 0.322 nan 8.240 nan 0.000 0.552 154 F N 3.279 123.096 119.950 -0.221 0.000 2.308 154 F HA 0.310 4.837 4.527 0.001 0.000 0.370 154 F C 0.778 176.474 175.800 -0.172 0.000 1.100 154 F CA -1.512 56.302 58.000 -0.310 0.000 1.108 154 F CB 0.791 39.383 39.000 -0.680 0.000 1.293 154 F HN 0.355 nan 8.300 nan 0.000 0.478 155 S N 6.372 121.767 115.700 -0.508 0.000 3.305 155 S HA 0.179 4.650 4.470 0.001 0.000 0.248 155 S C -0.564 173.298 174.600 -1.231 0.000 1.288 155 S CA 0.172 57.929 58.200 -0.737 0.000 1.249 155 S CB -1.159 61.605 63.200 -0.727 0.000 1.116 155 S HN 0.395 nan 8.310 nan 0.000 0.465 156 F N 0.219 119.892 119.950 -0.460 0.000 2.650 156 F HA 0.482 5.009 4.527 0.001 0.000 0.320 156 F C -2.810 172.898 175.800 -0.153 0.000 1.091 156 F CA -2.887 54.912 58.000 -0.335 0.000 0.962 156 F CB 0.755 39.426 39.000 -0.549 0.000 1.363 156 F HN -0.194 nan 8.300 nan 0.000 0.482 157 P HA 0.294 nan 4.420 nan 0.000 0.281 157 P C -1.151 176.184 177.300 0.060 0.000 1.286 157 P CA -0.130 63.009 63.100 0.064 0.000 0.772 157 P CB 0.365 32.107 31.700 0.071 0.000 0.862 158 C N 3.907 123.243 119.300 0.059 0.000 2.848 158 C HA 0.527 4.987 4.460 0.001 0.000 0.317 158 C C 0.254 175.263 174.990 0.032 0.000 1.260 158 C CA -0.808 58.238 59.018 0.047 0.000 1.656 158 C CB 2.148 29.931 27.740 0.071 0.000 2.174 158 C HN 0.464 nan 8.230 nan 0.000 0.479 159 R N 1.611 122.120 120.500 0.015 0.000 2.265 159 R HA 0.467 4.807 4.340 0.001 0.000 0.328 159 R C -0.961 175.351 176.300 0.020 0.000 0.969 159 R CA -0.087 56.027 56.100 0.023 0.000 0.832 159 R CB 0.973 31.277 30.300 0.006 0.000 1.139 159 R HN 0.714 nan 8.270 nan 0.000 0.457 160 Q N 0.717 120.560 119.800 0.071 0.000 2.340 160 Q HA 0.225 4.565 4.340 0.001 0.000 0.268 160 Q C 0.258 176.302 176.000 0.073 0.000 1.031 160 Q CA -0.481 55.352 55.803 0.050 0.000 0.804 160 Q CB 2.392 31.199 28.738 0.115 0.000 1.286 160 Q HN 0.689 nan 8.270 nan 0.000 0.448 161 S N 1.563 117.156 115.700 -0.177 0.000 2.502 161 S HA 0.095 4.565 4.470 0.001 0.000 0.228 161 S C 0.437 174.457 174.600 -0.967 0.000 1.061 161 S CA 0.010 58.024 58.200 -0.311 0.000 0.935 161 S CB 0.153 63.240 63.200 -0.187 0.000 0.809 161 S HN 0.562 nan 8.310 nan 0.000 0.510 162 K N -0.260 119.696 120.400 -0.740 0.000 2.279 162 K HA 0.609 4.930 4.320 0.001 0.000 0.238 162 K C 0.279 176.562 176.600 -0.528 0.000 1.084 162 K CA -0.915 54.907 56.287 -0.774 0.000 0.885 162 K CB 1.045 33.289 32.500 -0.427 0.000 1.319 162 K HN -0.033 nan 8.250 nan 0.000 0.494 163 I N 0.843 121.227 120.570 -0.311 0.000 2.716 163 I HA -0.139 4.032 4.170 0.001 0.000 0.259 163 I C 0.327 176.399 176.117 -0.076 0.000 1.172 163 I CA 0.996 62.236 61.300 -0.099 0.000 1.478 163 I CB 0.119 38.111 38.000 -0.012 0.000 1.104 163 I HN 0.728 nan 8.210 nan 0.000 0.439 164 D N -0.128 120.205 120.400 -0.111 0.000 2.460 164 D HA 0.072 4.713 4.640 0.001 0.000 0.229 164 D C 0.342 176.586 176.300 -0.093 0.000 1.170 164 D CA -0.004 53.952 54.000 -0.074 0.000 0.827 164 D CB -0.115 40.649 40.800 -0.061 0.000 0.973 164 D HN 0.147 nan 8.370 nan 0.000 0.496 165 E N 0.266 120.397 120.200 -0.114 0.000 2.227 165 E HA 0.652 5.003 4.350 0.001 0.000 0.268 165 E C -1.272 175.274 176.600 -0.090 0.000 0.907 165 E CA -1.109 55.223 56.400 -0.114 0.000 0.786 165 E CB 2.068 31.681 29.700 -0.145 0.000 1.191 165 E HN 0.122 nan 8.360 nan 0.000 0.411 166 A N 3.371 126.134 122.820 -0.096 0.000 3.200 166 A HA 0.227 4.548 4.320 0.001 0.000 0.274 166 A C -1.023 176.501 177.584 -0.101 0.000 1.220 166 A CA -0.507 51.475 52.037 -0.092 0.000 0.904 166 A CB 0.087 19.002 19.000 -0.140 0.000 1.415 166 A HN 0.233 nan 8.150 nan 0.000 0.630 167 V N 2.446 122.319 119.914 -0.068 0.000 2.415 167 V HA 0.140 4.260 4.120 0.001 0.000 0.267 167 V C 0.635 176.694 176.094 -0.059 0.000 1.042 167 V CA -0.184 62.074 62.300 -0.069 0.000 1.000 167 V CB 0.713 32.505 31.823 -0.053 0.000 1.015 167 V HN 0.745 nan 8.190 nan 0.000 0.478 168 L N 6.247 127.415 121.223 -0.090 0.000 2.499 168 L HA 0.175 4.516 4.340 0.001 0.000 0.273 168 L C 0.825 177.623 176.870 -0.120 0.000 1.195 168 L CA 1.011 55.779 54.840 -0.120 0.000 0.882 168 L CB 0.324 42.222 42.059 -0.269 0.000 1.133 168 L HN 0.566 nan 8.230 nan 0.000 0.483 169 I N 1.881 122.396 120.570 -0.091 0.000 2.729 169 I HA 0.134 4.305 4.170 0.001 0.000 0.256 169 I C 0.669 176.748 176.117 -0.065 0.000 1.115 169 I CA 0.485 61.755 61.300 -0.051 0.000 1.446 169 I CB 0.132 38.131 38.000 -0.002 0.000 1.176 169 I HN 0.673 nan 8.210 nan 0.000 0.446 170 T N -1.074 113.434 114.554 -0.077 0.000 2.885 170 T HA 0.296 4.647 4.350 0.001 0.000 0.322 170 T C -2.241 172.451 174.700 -0.014 0.000 1.387 170 T CA -0.553 61.527 62.100 -0.032 0.000 1.041 170 T CB 0.815 69.726 68.868 0.072 0.000 1.287 170 T HN 0.099 nan 8.240 nan 0.000 0.491 171 W N 1.925 123.267 121.300 0.070 0.000 2.202 171 W HA 0.534 5.194 4.660 0.001 0.000 0.332 171 W C 0.572 177.210 176.519 0.197 0.000 1.263 171 W CA -0.241 57.134 57.345 0.050 0.000 1.223 171 W CB 1.225 30.694 29.460 0.015 0.000 1.128 171 W HN 0.484 nan 8.180 nan 0.000 0.573 172 T N 2.731 117.742 114.554 0.763 0.000 2.906 172 T HA 0.352 4.703 4.350 0.001 0.000 0.295 172 T C -0.108 174.922 174.700 0.551 0.000 1.075 172 T CA -0.743 61.686 62.100 0.548 0.000 1.005 172 T CB 2.198 71.307 68.868 0.402 0.000 1.136 172 T HN 0.565 nan 8.240 nan 0.000 0.498 173 K N 0.352 120.986 120.400 0.390 0.000 2.409 173 K HA -0.286 4.035 4.320 0.001 0.000 0.157 173 K C 1.341 178.121 176.600 0.299 0.000 0.912 173 K CA 1.360 57.847 56.287 0.332 0.000 0.367 173 K CB -0.717 31.914 32.500 0.219 0.000 0.739 173 K HN 0.433 nan 8.250 nan 0.000 0.746 174 R N -0.052 120.626 120.500 0.296 0.000 2.265 174 R HA 0.247 4.587 4.340 0.001 0.000 0.194 174 R C 0.008 176.250 176.300 -0.097 0.000 0.931 174 R CA 0.015 56.194 56.100 0.132 0.000 1.032 174 R CB 0.290 30.619 30.300 0.049 0.000 0.980 174 R HN 0.064 nan 8.270 nan 0.000 0.497 175 F N 0.906 120.713 119.950 -0.239 0.000 2.389 175 F HA 0.297 4.825 4.527 0.001 0.000 0.337 175 F C 0.447 175.651 175.800 -0.993 0.000 1.112 175 F CA -0.165 57.377 58.000 -0.762 0.000 1.192 175 F CB 1.068 39.408 39.000 -1.099 0.000 1.185 175 F HN -0.296 nan 8.300 nan 0.000 0.552 176 K N 2.007 121.759 120.400 -1.081 0.000 3.009 176 K HA 0.549 4.869 4.320 0.001 0.000 0.228 176 K C -1.693 174.566 176.600 -0.569 0.000 1.307 176 K CA -0.093 55.668 56.287 -0.877 0.000 0.882 176 K CB 0.325 32.716 32.500 -0.182 0.000 1.275 176 K HN 0.691 nan 8.250 nan 0.000 0.551 177 A N 1.629 124.068 122.820 -0.635 0.000 2.276 177 A HA 0.570 4.891 4.320 0.001 0.000 0.316 177 A C -0.162 177.572 177.584 0.249 0.000 1.229 177 A CA -0.437 51.546 52.037 -0.089 0.000 0.851 177 A CB 0.976 19.942 19.000 -0.056 0.000 1.165 177 A HN 0.465 nan 8.150 nan 0.000 0.513 178 S N 0.977 116.772 115.700 0.158 0.000 2.549 178 S HA 0.419 4.890 4.470 0.001 0.000 0.286 178 S C 1.216 175.933 174.600 0.196 0.000 1.314 178 S CA 0.819 59.126 58.200 0.177 0.000 1.062 178 S CB 0.558 63.822 63.200 0.107 0.000 0.865 178 S HN 2.213 nan 8.310 nan 0.000 0.498 179 G N 1.270 110.179 108.800 0.180 0.000 2.256 179 G HA2 -0.189 3.771 3.960 0.001 0.000 0.272 179 G HA3 -0.189 3.771 3.960 0.001 0.000 0.272 179 G C 0.241 175.247 174.900 0.176 0.000 1.076 179 G CA 0.144 45.332 45.100 0.147 0.000 0.882 179 G HN 0.668 nan 8.290 nan 0.000 0.497 180 V N -1.181 118.851 119.914 0.196 0.000 3.159 180 V HA 0.197 4.317 4.120 0.001 0.000 0.234 180 V C 1.305 177.368 176.094 -0.051 0.000 1.313 180 V CA 0.796 63.190 62.300 0.157 0.000 1.271 180 V CB -0.000 32.017 31.823 0.324 0.000 1.053 180 V HN 0.460 nan 8.190 nan 0.000 0.476 181 E N 1.280 121.406 120.200 -0.123 0.000 2.465 181 E HA 0.315 4.665 4.350 0.001 0.000 0.260 181 E C 1.266 177.819 176.600 -0.078 0.000 0.980 181 E CA 0.998 57.287 56.400 -0.185 0.000 0.927 181 E CB 0.344 29.963 29.700 -0.135 0.000 0.934 181 E HN 0.527 nan 8.360 nan 0.000 0.459 182 G N 2.119 110.868 108.800 -0.084 0.000 2.299 182 G HA2 -0.321 3.639 3.960 0.001 0.000 0.237 182 G HA3 -0.321 3.639 3.960 0.001 0.000 0.237 182 G C 0.389 175.257 174.900 -0.052 0.000 1.027 182 G CA -0.044 45.026 45.100 -0.050 0.000 0.619 182 G HN 0.826 nan 8.290 nan 0.000 0.513 183 A N 0.089 122.874 122.820 -0.058 0.000 2.286 183 A HA 0.592 4.912 4.320 0.001 0.000 0.286 183 A C -0.042 177.483 177.584 -0.098 0.000 1.097 183 A CA 0.501 52.499 52.037 -0.064 0.000 0.821 183 A CB 0.650 19.624 19.000 -0.043 0.000 1.076 183 A HN 0.395 nan 8.150 nan 0.000 0.490 184 D N 1.735 122.068 120.400 -0.111 0.000 2.402 184 D HA 0.239 4.879 4.640 0.001 0.000 0.235 184 D C 1.218 177.392 176.300 -0.209 0.000 1.226 184 D CA -0.076 53.839 54.000 -0.142 0.000 0.918 184 D CB 0.361 41.089 40.800 -0.122 0.000 1.043 184 D HN 0.099 nan 8.370 nan 0.000 0.506 185 V N 3.776 123.535 119.914 -0.258 0.000 2.363 185 V HA -0.323 3.798 4.120 0.001 0.000 0.254 185 V C 2.345 178.200 176.094 -0.398 0.000 1.074 185 V CA 1.693 63.754 62.300 -0.398 0.000 1.069 185 V CB -0.363 31.136 31.823 -0.541 0.000 0.659 185 V HN 0.528 nan 8.190 nan 0.000 0.455 186 V N -0.745 119.030 119.914 -0.232 0.000 2.295 186 V HA -0.278 3.842 4.120 0.001 0.000 0.246 186 V C 2.345 178.326 176.094 -0.188 0.000 1.049 186 V CA 2.203 64.421 62.300 -0.135 0.000 1.024 186 V CB -0.723 31.052 31.823 -0.080 0.000 0.648 186 V HN 0.500 nan 8.190 nan 0.000 0.447 187 K N -0.281 120.005 120.400 -0.189 0.000 2.148 187 K HA -0.036 4.284 4.320 0.001 0.000 0.204 187 K C 2.144 178.602 176.600 -0.236 0.000 1.050 187 K CA 1.114 57.297 56.287 -0.172 0.000 0.942 187 K CB -0.253 32.167 32.500 -0.133 0.000 0.724 187 K HN 0.361 nan 8.250 nan 0.000 0.446 188 L N 0.625 121.630 121.223 -0.363 0.000 2.083 188 L HA -0.206 4.135 4.340 0.001 0.000 0.209 188 L C 2.354 178.863 176.870 -0.602 0.000 1.083 188 L CA 0.587 55.129 54.840 -0.498 0.000 0.752 188 L CB -0.356 41.238 42.059 -0.775 0.000 0.899 188 L HN 0.209 nan 8.230 nan 0.000 0.433 189 L N 0.159 120.975 121.223 -0.678 0.000 2.093 189 L HA -0.181 4.159 4.340 0.001 0.000 0.208 189 L C 1.906 178.668 176.870 -0.180 0.000 1.085 189 L CA 1.880 56.481 54.840 -0.398 0.000 0.755 189 L CB -0.783 41.129 42.059 -0.246 0.000 0.904 189 L HN 0.225 nan 8.230 nan 0.000 0.435 190 N N -0.512 118.089 118.700 -0.165 0.000 2.166 190 N HA -0.223 4.517 4.740 0.001 0.000 0.186 190 N C 1.768 177.220 175.510 -0.096 0.000 1.019 190 N CA 1.372 54.361 53.050 -0.103 0.000 0.856 190 N CB -0.234 38.200 38.487 -0.088 0.000 0.993 190 N HN 0.356 nan 8.380 nan 0.000 0.426 191 K N 1.017 121.353 120.400 -0.107 0.000 2.063 191 K HA -0.119 4.202 4.320 0.001 0.000 0.208 191 K C 1.975 178.543 176.600 -0.053 0.000 1.048 191 K CA 1.323 57.566 56.287 -0.074 0.000 0.928 191 K CB -0.118 32.341 32.500 -0.068 0.000 0.713 191 K HN 0.167 nan 8.250 nan 0.000 0.442 192 A N 1.480 124.277 122.820 -0.038 0.000 1.877 192 A HA -0.126 4.195 4.320 0.001 0.000 0.216 192 A C 2.081 179.638 177.584 -0.045 0.000 1.186 192 A CA 1.636 53.675 52.037 0.004 0.000 0.620 192 A CB -0.613 18.437 19.000 0.083 0.000 0.822 192 A HN 0.376 nan 8.150 nan 0.000 0.443 193 I N -0.224 120.299 120.570 -0.078 0.000 2.454 193 I HA -0.214 3.957 4.170 0.001 0.000 0.254 193 I C 2.925 178.908 176.117 -0.224 0.000 1.156 193 I CA 1.531 62.716 61.300 -0.192 0.000 1.433 193 I CB -0.366 37.545 38.000 -0.149 0.000 1.082 193 I HN 0.447 nan 8.210 nan 0.000 0.432 194 K N 1.353 121.674 120.400 -0.133 0.000 2.211 194 K HA -0.061 4.260 4.320 0.001 0.000 0.201 194 K C 2.063 178.609 176.600 -0.090 0.000 1.052 194 K CA 1.034 57.254 56.287 -0.112 0.000 0.973 194 K CB -0.449 32.004 32.500 -0.078 0.000 0.766 194 K HN 0.344 nan 8.250 nan 0.000 0.466 195 K N 0.474 120.832 120.400 -0.070 0.000 2.057 195 K HA -0.156 4.165 4.320 0.001 0.000 0.207 195 K C 2.393 178.961 176.600 -0.054 0.000 1.049 195 K CA 1.627 57.887 56.287 -0.045 0.000 0.931 195 K CB -0.121 32.366 32.500 -0.022 0.000 0.714 195 K HN 0.335 nan 8.250 nan 0.000 0.440 196 R N 0.012 120.465 120.500 -0.079 0.000 2.148 196 R HA -0.056 4.285 4.340 0.001 0.000 0.223 196 R C 0.928 177.156 176.300 -0.120 0.000 1.088 196 R CA 1.162 57.208 56.100 -0.089 0.000 0.985 196 R CB -0.471 29.762 30.300 -0.113 0.000 0.880 196 R HN 0.463 nan 8.270 nan 0.000 0.451 197 G N 1.574 110.280 108.800 -0.156 0.000 2.416 197 G HA2 -0.329 3.631 3.960 0.001 0.000 0.301 197 G HA3 -0.329 3.631 3.960 0.001 0.000 0.301 197 G C 0.312 175.125 174.900 -0.144 0.000 0.985 197 G CA 0.951 45.965 45.100 -0.143 0.000 0.934 197 G HN 0.524 nan 8.290 nan 0.000 0.513 198 D N -0.653 119.607 120.400 -0.233 0.000 2.146 198 D HA 0.076 4.717 4.640 0.001 0.000 0.209 198 D C 1.300 177.555 176.300 -0.076 0.000 0.973 198 D CA 1.521 55.437 54.000 -0.141 0.000 0.860 198 D CB 0.156 40.889 40.800 -0.111 0.000 1.015 198 D HN 0.631 nan 8.370 nan 0.000 0.465 199 Y N -0.898 119.402 120.300 0.000 0.000 2.805 199 Y HA 0.669 5.220 4.550 0.001 0.000 0.321 199 Y C -0.961 174.935 175.900 -0.007 0.000 1.203 199 Y CA -1.436 56.662 58.100 -0.003 0.000 1.165 199 Y CB 0.420 38.880 38.460 -0.001 0.000 1.371 199 Y HN -0.362 nan 8.280 nan 0.000 0.564 200 D N 0.440 120.996 120.400 0.260 0.000 2.391 200 D HA 0.683 5.324 4.640 0.001 0.000 0.245 200 D C -1.285 175.156 176.300 0.236 0.000 1.069 200 D CA -0.106 53.987 54.000 0.154 0.000 0.831 200 D CB 1.653 42.503 40.800 0.084 0.000 1.204 200 D HN 0.927 nan 8.370 nan 0.000 0.503 201 A N 2.643 125.573 122.820 0.183 0.000 2.455 201 A HA 0.587 4.907 4.320 0.001 0.000 0.300 201 A C -1.194 176.433 177.584 0.071 0.000 1.040 201 A CA -0.980 51.146 52.037 0.147 0.000 0.697 201 A CB 1.150 20.296 19.000 0.242 0.000 1.265 201 A HN 0.513 nan 8.150 nan 0.000 0.407 202 N N 2.555 121.284 118.700 0.049 0.000 2.524 202 N HA 0.267 5.008 4.740 0.001 0.000 0.261 202 N C -1.014 174.521 175.510 0.043 0.000 0.998 202 N CA -0.540 52.535 53.050 0.042 0.000 0.915 202 N CB 1.090 39.610 38.487 0.056 0.000 1.187 202 N HN 0.359 nan 8.380 nan 0.000 0.507 203 I N 2.997 123.586 120.570 0.032 0.000 2.372 203 I HA -0.037 4.133 4.170 0.001 0.000 0.298 203 I C 1.820 177.970 176.117 0.054 0.000 1.137 203 I CA -0.315 61.011 61.300 0.044 0.000 1.314 203 I CB 0.046 38.071 38.000 0.042 0.000 1.444 203 I HN 0.475 nan 8.210 nan 0.000 0.541 204 V N 3.623 123.583 119.914 0.077 0.000 2.951 204 V HA 0.396 4.517 4.120 0.001 0.000 0.255 204 V C 0.854 176.982 176.094 0.057 0.000 1.088 204 V CA 0.789 63.139 62.300 0.084 0.000 1.109 204 V CB -0.005 31.918 31.823 0.167 0.000 0.724 204 V HN 0.670 nan 8.190 nan 0.000 0.471 205 A N -0.711 122.150 122.820 0.069 0.000 2.539 205 A HA 0.828 5.149 4.320 0.001 0.000 0.296 205 A C -1.159 176.485 177.584 0.099 0.000 1.073 205 A CA -0.435 51.637 52.037 0.058 0.000 0.700 205 A CB 2.359 21.384 19.000 0.041 0.000 1.296 205 A HN 0.542 nan 8.150 nan 0.000 0.405 206 V N 1.804 121.762 119.914 0.073 0.000 2.488 206 V HA 0.578 4.699 4.120 0.001 0.000 0.293 206 V C -0.554 175.566 176.094 0.043 0.000 1.027 206 V CA -0.417 61.926 62.300 0.072 0.000 0.862 206 V CB 1.344 33.167 31.823 -0.000 0.000 1.008 206 V HN 1.244 nan 8.190 nan 0.000 0.428 207 V N 1.464 121.409 119.914 0.051 0.000 2.962 207 V HA 0.638 4.758 4.120 0.001 0.000 0.313 207 V C -0.012 176.091 176.094 0.016 0.000 1.099 207 V CA -0.899 61.419 62.300 0.029 0.000 0.971 207 V CB 1.966 33.803 31.823 0.022 0.000 1.028 207 V HN 0.762 nan 8.190 nan 0.000 0.430 208 N N 1.349 120.042 118.700 -0.011 0.000 2.354 208 N HA 0.050 4.791 4.740 0.001 0.000 0.246 208 N C 0.336 175.814 175.510 -0.053 0.000 1.285 208 N CA 0.250 53.271 53.050 -0.049 0.000 0.925 208 N CB 1.287 39.736 38.487 -0.063 0.000 1.174 208 N HN 1.010 nan 8.380 nan 0.000 0.478 209 D N -0.629 119.719 120.400 -0.087 0.000 2.317 209 D HA -0.118 4.523 4.640 0.001 0.000 0.211 209 D C 1.589 177.850 176.300 -0.066 0.000 0.966 209 D CA 1.064 55.023 54.000 -0.068 0.000 0.876 209 D CB -0.532 40.217 40.800 -0.085 0.000 0.927 209 D HN 0.632 nan 8.370 nan 0.000 0.519 210 T N -1.628 112.876 114.554 -0.084 0.000 2.896 210 T HA -0.020 4.331 4.350 0.001 0.000 0.263 210 T C 2.123 176.787 174.700 -0.059 0.000 1.050 210 T CA 0.804 62.853 62.100 -0.085 0.000 1.140 210 T CB -0.666 68.126 68.868 -0.126 0.000 0.877 210 T HN 0.035 nan 8.240 nan 0.000 0.457 211 V N 1.952 121.833 119.914 -0.054 0.000 2.379 211 V HA 0.080 4.200 4.120 0.001 0.000 0.245 211 V C 3.095 179.173 176.094 -0.027 0.000 1.044 211 V CA 1.731 64.007 62.300 -0.041 0.000 1.036 211 V CB -1.461 30.339 31.823 -0.037 0.000 0.664 211 V HN 0.643 nan 8.190 nan 0.000 0.453 212 G N -0.314 108.471 108.800 -0.025 0.000 2.418 212 G HA2 -0.218 3.742 3.960 0.001 0.000 0.217 212 G HA3 -0.218 3.742 3.960 0.001 0.000 0.217 212 G C 1.700 176.592 174.900 -0.014 0.000 1.158 212 G CA 1.519 46.609 45.100 -0.016 0.000 0.771 212 G HN 0.458 nan 8.290 nan 0.000 0.545 213 T N 0.801 115.345 114.554 -0.017 0.000 2.777 213 T HA -0.091 4.260 4.350 0.001 0.000 0.266 213 T C 2.255 176.957 174.700 0.003 0.000 1.040 213 T CA 1.290 63.385 62.100 -0.008 0.000 1.141 213 T CB -0.184 68.673 68.868 -0.018 0.000 0.868 213 T HN 0.250 nan 8.240 nan 0.000 0.444 214 M N 0.295 119.892 119.600 -0.005 0.000 2.117 214 M HA -0.084 4.396 4.480 0.001 0.000 0.262 214 M C 1.960 178.269 176.300 0.015 0.000 1.065 214 M CA 1.528 56.830 55.300 0.003 0.000 1.114 214 M CB -0.178 32.417 32.600 -0.008 0.000 1.361 214 M HN 0.130 nan 8.290 nan 0.000 0.408 215 M N -0.225 119.381 119.600 0.010 0.000 2.159 215 M HA -0.124 4.357 4.480 0.001 0.000 0.263 215 M C 2.047 178.379 176.300 0.054 0.000 1.063 215 M CA 1.639 56.954 55.300 0.024 0.000 1.110 215 M CB -1.669 30.933 32.600 0.002 0.000 1.374 215 M HN 0.297 nan 8.290 nan 0.000 0.411 216 T N 0.417 114.991 114.554 0.033 0.000 2.674 216 T HA -0.152 4.199 4.350 0.001 0.000 0.265 216 T C 2.048 176.808 174.700 0.099 0.000 1.039 216 T CA 1.707 63.833 62.100 0.043 0.000 1.150 216 T CB -0.500 68.377 68.868 0.015 0.000 0.864 216 T HN 0.418 nan 8.240 nan 0.000 0.427 217 C N 1.429 120.774 119.300 0.076 0.000 2.446 217 C HA 0.110 4.571 4.460 0.001 0.000 0.277 217 C C 3.126 178.167 174.990 0.085 0.000 1.275 217 C CA 0.211 59.278 59.018 0.082 0.000 1.727 217 C CB -1.604 26.171 27.740 0.059 0.000 2.010 217 C HN 0.726 nan 8.230 nan 0.000 0.486 218 G N -1.069 107.774 108.800 0.071 0.000 2.462 218 G HA2 -0.289 3.672 3.960 0.001 0.000 0.220 218 G HA3 -0.289 3.672 3.960 0.001 0.000 0.220 218 G C 1.349 176.287 174.900 0.064 0.000 1.121 218 G CA 0.891 46.021 45.100 0.051 0.000 0.758 218 G HN 0.629 nan 8.290 nan 0.000 0.559 219 Y N 1.366 121.668 120.300 0.003 0.000 2.224 219 Y HA -0.106 4.445 4.550 0.001 0.000 0.289 219 Y C 2.166 178.073 175.900 0.012 0.000 1.146 219 Y CA 2.039 60.143 58.100 0.006 0.000 1.182 219 Y CB 0.201 38.665 38.460 0.007 0.000 0.983 219 Y HN 0.182 nan 8.280 nan 0.000 0.524 220 D N -0.857 119.601 120.400 0.098 0.000 2.262 220 D HA -0.014 4.627 4.640 0.001 0.000 0.212 220 D C -0.175 176.123 176.300 -0.004 0.000 0.964 220 D CA 1.004 55.030 54.000 0.043 0.000 0.875 220 D CB 0.030 40.900 40.800 0.117 0.000 0.996 220 D HN 0.279 nan 8.370 nan 0.000 0.497 221 D N 0.509 120.915 120.400 0.010 0.000 2.469 221 D HA 0.083 4.724 4.640 0.001 0.000 0.251 221 D C 0.501 176.795 176.300 -0.011 0.000 1.173 221 D CA -0.315 53.684 54.000 -0.001 0.000 0.882 221 D CB 0.998 41.807 40.800 0.015 0.000 1.129 221 D HN -0.319 nan 8.370 nan 0.000 0.549 222 Q N 2.121 121.905 119.800 -0.028 0.000 2.557 222 Q HA -0.056 4.285 4.340 0.001 0.000 0.217 222 Q C 0.589 176.577 176.000 -0.019 0.000 0.978 222 Q CA 0.699 56.486 55.803 -0.027 0.000 0.950 222 Q CB 0.294 29.009 28.738 -0.037 0.000 0.991 222 Q HN 0.685 nan 8.270 nan 0.000 0.533 223 Q N -0.889 118.900 119.800 -0.018 0.000 2.319 223 Q HA 0.073 4.414 4.340 0.001 0.000 0.202 223 Q C 0.356 176.343 176.000 -0.022 0.000 0.896 223 Q CA -0.286 55.504 55.803 -0.020 0.000 0.942 223 Q CB 0.568 29.291 28.738 -0.026 0.000 1.083 223 Q HN 0.173 nan 8.270 nan 0.000 0.510 224 C N 1.727 121.018 119.300 -0.015 0.000 2.638 224 C HA 0.008 4.469 4.460 0.001 0.000 0.410 224 C C 1.070 176.056 174.990 -0.006 0.000 1.404 224 C CA 0.451 59.461 59.018 -0.012 0.000 1.651 224 C CB -0.374 27.368 27.740 0.003 0.000 2.495 224 C HN 0.501 nan 8.230 nan 0.000 0.606 225 E N 2.483 122.680 120.200 -0.004 0.000 2.639 225 E HA 0.201 4.551 4.350 0.001 0.000 0.225 225 E C -0.427 176.204 176.600 0.051 0.000 0.921 225 E CA 0.082 56.493 56.400 0.019 0.000 1.184 225 E CB 1.027 30.744 29.700 0.029 0.000 1.160 225 E HN 0.563 nan 8.360 nan 0.000 0.547 226 V N -0.027 119.905 119.914 0.030 0.000 3.001 226 V HA 0.733 4.854 4.120 0.001 0.000 0.314 226 V C -0.054 176.050 176.094 0.016 0.000 1.099 226 V CA -1.006 61.322 62.300 0.047 0.000 0.989 226 V CB 2.051 33.892 31.823 0.030 0.000 1.040 226 V HN 0.110 nan 8.190 nan 0.000 0.434 227 G N 1.874 110.675 108.800 0.002 0.000 2.737 227 G HA2 0.637 4.598 3.960 0.001 0.000 0.290 227 G HA3 0.637 4.598 3.960 0.001 0.000 0.290 227 G C -1.853 173.011 174.900 -0.060 0.000 1.482 227 G CA -0.352 44.734 45.100 -0.024 0.000 1.017 227 G HN 0.533 nan 8.290 nan 0.000 0.529 228 L N 3.019 124.222 121.223 -0.033 0.000 2.362 228 L HA 0.794 5.134 4.340 0.001 0.000 0.271 228 L C -0.981 175.848 176.870 -0.069 0.000 1.002 228 L CA -1.043 53.770 54.840 -0.045 0.000 0.818 228 L CB 1.714 43.823 42.059 0.083 0.000 1.298 228 L HN 0.375 nan 8.230 nan 0.000 0.420 229 I N 6.340 126.871 120.570 -0.065 0.000 2.512 229 I HA 0.363 4.534 4.170 0.001 0.000 0.287 229 I C -1.060 175.058 176.117 0.002 0.000 1.069 229 I CA -0.178 61.089 61.300 -0.054 0.000 1.056 229 I CB 1.974 39.933 38.000 -0.068 0.000 1.229 229 I HN 0.567 nan 8.210 nan 0.000 0.429 230 I N 5.787 126.342 120.570 -0.024 0.000 2.563 230 I HA 0.525 4.695 4.170 0.001 0.000 0.276 230 I C 0.483 176.570 176.117 -0.051 0.000 1.074 230 I CA 0.019 61.306 61.300 -0.021 0.000 1.124 230 I CB 1.577 39.548 38.000 -0.048 0.000 1.225 230 I HN 0.727 nan 8.210 nan 0.000 0.482 231 G N 2.067 110.844 108.800 -0.039 0.000 3.433 231 G HA2 0.119 4.080 3.960 0.001 0.000 0.173 231 G HA3 0.119 4.080 3.960 0.001 0.000 0.173 231 G C 0.589 175.461 174.900 -0.048 0.000 1.196 231 G CA 0.106 45.178 45.100 -0.047 0.000 1.062 231 G HN 0.207 nan 8.290 nan 0.000 0.699 232 T N 0.525 115.053 114.554 -0.044 0.000 2.849 232 T HA 0.272 4.623 4.350 0.001 0.000 0.270 232 T C 0.878 175.563 174.700 -0.025 0.000 1.066 232 T CA 1.570 63.635 62.100 -0.059 0.000 1.130 232 T CB -0.280 68.567 68.868 -0.034 0.000 0.864 232 T HN 0.895 nan 8.240 nan 0.000 0.481 233 G N -0.607 108.199 108.800 0.010 0.000 2.692 233 G HA2 0.520 4.481 3.960 0.001 0.000 0.291 233 G HA3 0.520 4.481 3.960 0.001 0.000 0.291 233 G C -1.497 173.454 174.900 0.084 0.000 1.423 233 G CA -0.489 44.662 45.100 0.085 0.000 0.843 233 G HN -0.008 nan 8.290 nan 0.000 0.486 234 T N -0.361 114.297 114.554 0.174 0.000 2.856 234 T HA 0.687 5.037 4.350 0.001 0.000 0.283 234 T C -0.676 174.224 174.700 0.334 0.000 1.008 234 T CA -0.572 61.690 62.100 0.270 0.000 0.997 234 T CB 1.378 70.459 68.868 0.354 0.000 0.992 234 T HN 0.758 nan 8.240 nan 0.000 0.454 235 N N 1.448 120.195 118.700 0.077 0.000 3.043 235 N HA 0.690 5.430 4.740 0.001 0.000 0.243 235 N C -2.029 173.025 175.510 -0.760 0.000 1.347 235 N CA -0.296 52.490 53.050 -0.440 0.000 0.896 235 N CB 1.903 40.265 38.487 -0.208 0.000 1.501 235 N HN 0.905 nan 8.380 nan 0.000 0.504 236 A N 0.313 122.470 122.820 -1.105 0.000 2.549 236 A HA 0.745 5.066 4.320 0.001 0.000 0.297 236 A C -0.755 176.603 177.584 -0.376 0.000 1.061 236 A CA -0.503 51.061 52.037 -0.787 0.000 0.690 236 A CB 0.130 18.376 19.000 -1.256 0.000 1.287 236 A HN 1.246 nan 8.150 nan 0.000 0.402 237 C N 0.044 119.257 119.300 -0.146 0.000 2.889 237 C HA 1.062 5.523 4.460 0.001 0.000 0.307 237 C C -1.120 173.969 174.990 0.166 0.000 1.251 237 C CA -0.883 58.147 59.018 0.019 0.000 1.593 237 C CB 0.821 28.529 27.740 -0.054 0.000 2.104 237 C HN 1.827 nan 8.230 nan 0.000 0.476 238 Y N -0.095 120.157 120.300 -0.079 0.000 2.624 238 Y HA 0.719 5.270 4.550 0.001 0.000 0.334 238 Y C -1.026 174.844 175.900 -0.049 0.000 1.155 238 Y CA -2.046 56.022 58.100 -0.054 0.000 1.046 238 Y CB 0.602 39.042 38.460 -0.033 0.000 1.316 238 Y HN 0.656 nan 8.280 nan 0.000 0.457 239 M N 2.988 122.527 119.600 -0.102 0.000 2.194 239 M HA 0.264 4.744 4.480 0.001 0.000 0.347 239 M C -0.348 175.811 176.300 -0.234 0.000 1.439 239 M CA 0.270 55.461 55.300 -0.182 0.000 1.131 239 M CB 0.022 32.588 32.600 -0.056 0.000 1.733 239 M HN 0.873 nan 8.290 nan 0.000 0.467 240 E N 2.669 122.648 120.200 -0.368 0.000 2.244 240 E HA 0.337 4.688 4.350 0.001 0.000 0.266 240 E C -0.891 175.650 176.600 -0.097 0.000 0.914 240 E CA -0.537 55.727 56.400 -0.226 0.000 0.794 240 E CB 1.245 30.724 29.700 -0.369 0.000 1.210 240 E HN 0.391 nan 8.360 nan 0.000 0.414 241 E N 3.619 123.830 120.200 0.017 0.000 2.344 241 E HA 0.024 4.375 4.350 0.001 0.000 0.270 241 E C 0.858 177.412 176.600 -0.077 0.000 1.021 241 E CA 0.086 56.471 56.400 -0.025 0.000 0.887 241 E CB 0.830 30.519 29.700 -0.018 0.000 0.997 241 E HN 0.676 nan 8.360 nan 0.000 0.429 242 L N 3.210 124.370 121.223 -0.105 0.000 2.043 242 L HA -0.280 4.061 4.340 0.001 0.000 0.212 242 L C 2.544 179.346 176.870 -0.113 0.000 1.075 242 L CA 1.751 56.528 54.840 -0.106 0.000 0.752 242 L CB -0.258 41.746 42.059 -0.092 0.000 0.891 242 L HN 0.541 nan 8.230 nan 0.000 0.432 243 R N -1.060 119.334 120.500 -0.178 0.000 2.211 243 R HA -0.212 4.129 4.340 0.001 0.000 0.240 243 R C 1.472 177.654 176.300 -0.197 0.000 1.144 243 R CA 1.906 57.876 56.100 -0.218 0.000 0.992 243 R CB -0.837 29.284 30.300 -0.299 0.000 0.869 243 R HN 0.544 nan 8.270 nan 0.000 0.462 244 H N 0.148 119.198 119.070 -0.034 0.000 2.595 244 H HA 0.293 4.849 4.556 0.001 0.000 0.265 244 H C 0.295 175.600 175.328 -0.038 0.000 0.953 244 H CA -0.301 55.731 56.048 -0.027 0.000 1.197 244 H CB 0.495 30.246 29.762 -0.019 0.000 1.438 244 H HN 0.042 nan 8.280 nan 0.000 0.531 245 I N 2.627 123.220 120.570 0.039 0.000 2.278 245 I HA -0.066 4.104 4.170 0.001 0.000 0.300 245 I C 0.305 176.412 176.117 -0.016 0.000 1.174 245 I CA -0.209 61.080 61.300 -0.018 0.000 1.347 245 I CB 0.605 38.552 38.000 -0.088 0.000 1.473 245 I HN 0.224 nan 8.210 nan 0.000 0.595 246 D N 4.084 124.489 120.400 0.007 0.000 2.149 246 D HA -0.172 4.468 4.640 0.001 0.000 0.198 246 D C 2.066 178.365 176.300 -0.003 0.000 0.990 246 D CA 1.537 55.540 54.000 0.005 0.000 0.839 246 D CB 0.093 40.901 40.800 0.013 0.000 0.948 246 D HN 0.508 nan 8.370 nan 0.000 0.460 247 L N 0.011 121.230 121.223 -0.006 0.000 2.362 247 L HA -0.028 4.313 4.340 0.001 0.000 0.219 247 L C 0.568 177.445 176.870 0.011 0.000 1.134 247 L CA 0.300 55.141 54.840 0.003 0.000 0.807 247 L CB 0.013 42.074 42.059 0.004 0.000 0.927 247 L HN -0.180 nan 8.230 nan 0.000 0.447 248 V N -0.241 119.666 119.914 -0.013 0.000 2.459 248 V HA 0.185 4.306 4.120 0.001 0.000 0.295 248 V C 0.040 176.132 176.094 -0.003 0.000 1.029 248 V CA -0.793 61.505 62.300 -0.003 0.000 0.874 248 V CB 1.886 33.655 31.823 -0.090 0.000 0.985 248 V HN 0.065 nan 8.190 nan 0.000 0.438 249 E N 3.041 123.253 120.200 0.020 0.000 2.052 249 E HA 0.574 4.924 4.350 0.001 0.000 0.283 249 E C 0.229 176.831 176.600 0.004 0.000 1.071 249 E CA 0.008 56.414 56.400 0.010 0.000 0.851 249 E CB 1.166 30.877 29.700 0.018 0.000 1.066 249 E HN 0.930 nan 8.360 nan 0.000 0.396 250 G N 2.271 111.062 108.800 -0.014 0.000 2.489 250 G HA2 0.123 4.083 3.960 0.001 0.000 0.291 250 G HA3 0.123 4.083 3.960 0.001 0.000 0.291 250 G C -0.638 174.239 174.900 -0.038 0.000 1.487 250 G CA -0.584 44.505 45.100 -0.019 0.000 0.795 250 G HN 0.487 nan 8.290 nan 0.000 0.513 251 D N -1.584 118.792 120.400 -0.040 0.000 2.490 251 D HA 0.049 4.690 4.640 0.001 0.000 0.246 251 D C 0.169 176.434 176.300 -0.060 0.000 1.196 251 D CA 0.158 54.123 54.000 -0.058 0.000 0.812 251 D CB 0.326 41.096 40.800 -0.049 0.000 1.191 251 D HN 0.663 nan 8.370 nan 0.000 0.531 252 E N 1.142 121.317 120.200 -0.043 0.000 2.133 252 E HA 0.545 4.896 4.350 0.001 0.000 0.274 252 E C 0.574 177.151 176.600 -0.039 0.000 0.930 252 E CA -0.811 55.567 56.400 -0.036 0.000 0.770 252 E CB 1.846 31.536 29.700 -0.017 0.000 1.104 252 E HN 0.217 nan 8.360 nan 0.000 0.403 253 G N 2.652 111.427 108.800 -0.042 0.000 2.728 253 G HA2 -0.216 3.744 3.960 0.001 0.000 0.294 253 G HA3 -0.216 3.744 3.960 0.001 0.000 0.294 253 G C -0.649 174.215 174.900 -0.059 0.000 1.342 253 G CA -0.554 44.520 45.100 -0.042 0.000 0.866 253 G HN 0.655 nan 8.290 nan 0.000 0.534 254 R N -1.155 119.308 120.500 -0.061 0.000 2.943 254 R HA 0.911 5.251 4.340 0.001 0.000 0.246 254 R C 0.179 176.415 176.300 -0.107 0.000 1.201 254 R CA -0.922 55.130 56.100 -0.081 0.000 1.056 254 R CB 1.484 31.743 30.300 -0.069 0.000 1.243 254 R HN 0.804 nan 8.270 nan 0.000 0.498 255 M N 0.248 119.758 119.600 -0.151 0.000 2.413 255 M HA 0.278 4.759 4.480 0.001 0.000 0.287 255 M C -1.554 174.601 176.300 -0.242 0.000 1.186 255 M CA -0.719 54.466 55.300 -0.191 0.000 0.927 255 M CB 2.245 34.701 32.600 -0.241 0.000 1.715 255 M HN 0.809 nan 8.290 nan 0.000 0.478 256 C N 5.401 124.567 119.300 -0.223 0.000 2.629 256 C HA 0.429 4.890 4.460 0.001 0.000 0.410 256 C C -0.193 174.625 174.990 -0.285 0.000 1.339 256 C CA -0.319 58.552 59.018 -0.244 0.000 1.810 256 C CB -0.795 26.853 27.740 -0.154 0.000 2.549 256 C HN 0.605 nan 8.230 nan 0.000 0.589 257 I N 6.905 127.243 120.570 -0.387 0.000 2.330 257 I HA 0.209 4.380 4.170 0.001 0.000 0.289 257 I C 0.183 176.209 176.117 -0.152 0.000 1.001 257 I CA 0.027 61.142 61.300 -0.308 0.000 1.193 257 I CB 1.001 38.747 38.000 -0.423 0.000 1.345 257 I HN 0.703 nan 8.210 nan 0.000 0.461 258 N N 5.010 123.654 118.700 -0.093 0.000 2.415 258 N HA 0.080 4.820 4.740 0.001 0.000 0.250 258 N C 0.933 176.438 175.510 -0.009 0.000 1.127 258 N CA 0.251 53.269 53.050 -0.053 0.000 0.945 258 N CB 0.830 39.288 38.487 -0.048 0.000 1.196 258 N HN 0.500 nan 8.380 nan 0.000 0.499 259 T N 2.252 116.816 114.554 0.018 0.000 2.652 259 T HA -0.130 4.221 4.350 0.001 0.000 0.267 259 T C -0.121 174.642 174.700 0.105 0.000 1.039 259 T CA 0.977 63.129 62.100 0.086 0.000 1.153 259 T CB -0.214 68.719 68.868 0.109 0.000 0.863 259 T HN 0.657 nan 8.240 nan 0.000 0.428 260 E N 0.074 120.304 120.200 0.050 0.000 2.358 260 E HA -0.142 4.208 4.350 0.001 0.000 0.246 260 E C 0.296 177.080 176.600 0.306 0.000 1.127 260 E CA 0.618 57.092 56.400 0.122 0.000 0.726 260 E CB -1.724 28.042 29.700 0.110 0.000 1.272 260 E HN 0.888 nan 8.360 nan 0.000 0.390 261 W N -0.759 120.671 121.300 0.216 0.000 2.825 261 W HA 0.261 4.921 4.660 0.001 0.000 0.243 261 W C 1.525 178.244 176.519 0.333 0.000 1.293 261 W CA 0.540 58.039 57.345 0.257 0.000 1.403 261 W CB -1.205 28.334 29.460 0.131 0.000 1.134 261 W HN 0.136 nan 8.180 nan 0.000 0.666 262 G N 1.159 110.403 108.800 0.740 0.000 2.448 262 G HA2 -0.095 3.866 3.960 0.001 0.000 0.219 262 G HA3 -0.095 3.866 3.960 0.001 0.000 0.219 262 G C 1.691 176.843 174.900 0.419 0.000 1.127 262 G CA 1.334 46.782 45.100 0.581 0.000 0.766 262 G HN 0.450 nan 8.290 nan 0.000 0.552 263 A N 0.027 123.066 122.820 0.364 0.000 2.206 263 A HA 0.358 4.679 4.320 0.001 0.000 0.211 263 A C 0.851 178.626 177.584 0.317 0.000 1.158 263 A CA -0.502 51.701 52.037 0.276 0.000 0.761 263 A CB -0.361 18.772 19.000 0.222 0.000 0.801 263 A HN 0.280 nan 8.150 nan 0.000 0.473 264 F N 1.282 121.343 119.950 0.186 0.000 2.623 264 F HA 0.359 4.886 4.527 0.001 0.000 0.383 264 F C 1.325 177.181 175.800 0.093 0.000 1.077 264 F CA 0.853 58.912 58.000 0.098 0.000 1.268 264 F CB -0.251 38.681 39.000 -0.113 0.000 1.053 264 F HN 0.408 nan 8.300 nan 0.000 0.571 265 G N 4.430 113.259 108.800 0.049 0.000 2.213 265 G HA2 -0.320 3.641 3.960 0.001 0.000 0.236 265 G HA3 -0.320 3.641 3.960 0.001 0.000 0.236 265 G C 0.970 175.860 174.900 -0.016 0.000 0.991 265 G CA 0.308 45.308 45.100 -0.167 0.000 0.629 265 G HN 0.583 nan 8.290 nan 0.000 0.517 266 D N 1.538 121.976 120.400 0.064 0.000 2.182 266 D HA -0.014 4.626 4.640 0.001 0.000 0.201 266 D C 2.081 178.411 176.300 0.050 0.000 0.986 266 D CA 1.637 55.673 54.000 0.060 0.000 0.847 266 D CB -0.294 40.560 40.800 0.091 0.000 0.942 266 D HN 0.673 nan 8.370 nan 0.000 0.467 267 D N -1.347 119.092 120.400 0.066 0.000 2.347 267 D HA 0.082 4.723 4.640 0.001 0.000 0.215 267 D C 1.556 177.875 176.300 0.032 0.000 0.976 267 D CA 0.995 55.028 54.000 0.054 0.000 0.884 267 D CB -0.172 40.669 40.800 0.069 0.000 0.915 267 D HN 0.266 nan 8.370 nan 0.000 0.526 268 G N -0.214 108.595 108.800 0.014 0.000 2.205 268 G HA2 -0.298 3.662 3.960 0.001 0.000 0.180 268 G HA3 -0.298 3.662 3.960 0.001 0.000 0.180 268 G C 1.173 176.062 174.900 -0.020 0.000 1.004 268 G CA 0.472 45.568 45.100 -0.008 0.000 0.670 268 G HN 0.467 nan 8.290 nan 0.000 0.496 269 S N -0.203 115.495 115.700 -0.004 0.000 2.465 269 S HA 0.085 4.556 4.470 0.001 0.000 0.241 269 S C 1.602 176.150 174.600 -0.086 0.000 1.000 269 S CA 1.387 59.589 58.200 0.003 0.000 0.964 269 S CB -0.136 63.146 63.200 0.136 0.000 0.763 269 S HN 0.588 nan 8.310 nan 0.000 0.512 270 L N 0.312 121.433 121.223 -0.169 0.000 3.202 270 L HA 0.430 4.770 4.340 0.001 0.000 0.278 270 L C 1.439 178.233 176.870 -0.127 0.000 1.268 270 L CA -0.073 54.646 54.840 -0.202 0.000 1.034 270 L CB 0.304 42.150 42.059 -0.355 0.000 1.407 270 L HN 0.084 nan 8.230 nan 0.000 0.581 271 E N 1.046 121.194 120.200 -0.087 0.000 2.478 271 E HA -0.170 4.180 4.350 0.001 0.000 0.198 271 E C 1.552 178.111 176.600 -0.067 0.000 1.046 271 E CA 0.893 57.252 56.400 -0.069 0.000 0.870 271 E CB 0.171 29.842 29.700 -0.048 0.000 0.818 271 E HN 0.520 nan 8.360 nan 0.000 0.527 272 D N -1.001 119.358 120.400 -0.068 0.000 2.367 272 D HA -0.064 4.576 4.640 0.001 0.000 0.207 272 D C 1.403 177.654 176.300 -0.082 0.000 1.034 272 D CA 0.140 54.101 54.000 -0.065 0.000 0.861 272 D CB 0.180 40.951 40.800 -0.048 0.000 0.943 272 D HN 0.142 nan 8.370 nan 0.000 0.515 273 I N 0.748 121.263 120.570 -0.092 0.000 2.499 273 I HA 0.090 4.261 4.170 0.001 0.000 0.243 273 I C 1.135 177.189 176.117 -0.104 0.000 1.085 273 I CA 0.040 61.279 61.300 -0.102 0.000 1.422 273 I CB -0.996 36.943 38.000 -0.103 0.000 1.165 273 I HN -0.136 nan 8.210 nan 0.000 0.440 274 R N 1.919 122.360 120.500 -0.099 0.000 2.566 274 R HA 0.023 4.364 4.340 0.001 0.000 0.273 274 R C 0.496 176.750 176.300 -0.077 0.000 0.981 274 R CA 0.393 56.442 56.100 -0.085 0.000 1.091 274 R CB 0.014 30.264 30.300 -0.084 0.000 0.924 274 R HN 0.442 nan 8.270 nan 0.000 0.411 275 T N -1.867 112.657 114.554 -0.050 0.000 2.937 275 T HA 0.134 4.485 4.350 0.001 0.000 0.283 275 T C 1.213 175.867 174.700 -0.077 0.000 1.012 275 T CA -0.861 61.212 62.100 -0.046 0.000 0.997 275 T CB 1.461 70.372 68.868 0.071 0.000 1.136 275 T HN 0.681 nan 8.240 nan 0.000 0.551 276 E N 0.149 120.230 120.200 -0.198 0.000 2.209 276 E HA -0.126 4.224 4.350 0.001 0.000 0.196 276 E C 1.222 177.653 176.600 -0.281 0.000 0.993 276 E CA 1.225 57.450 56.400 -0.291 0.000 0.819 276 E CB -0.670 28.764 29.700 -0.442 0.000 0.745 276 E HN 0.650 nan 8.360 nan 0.000 0.477 277 F N 2.116 122.045 119.950 -0.034 0.000 2.206 277 F HA -0.043 4.485 4.527 0.001 0.000 0.298 277 F C 2.002 177.784 175.800 -0.029 0.000 1.090 277 F CA 1.082 59.069 58.000 -0.022 0.000 1.323 277 F CB -0.216 38.772 39.000 -0.021 0.000 1.028 277 F HN -0.060 nan 8.300 nan 0.000 0.492 278 D N 0.156 120.634 120.400 0.131 0.000 2.178 278 D HA -0.100 4.540 4.640 0.001 0.000 0.202 278 D C 2.243 178.543 176.300 -0.001 0.000 0.974 278 D CA 0.906 54.929 54.000 0.038 0.000 0.841 278 D CB -0.255 40.540 40.800 -0.009 0.000 0.953 278 D HN 0.314 nan 8.370 nan 0.000 0.478 279 R N 0.659 121.148 120.500 -0.017 0.000 2.090 279 R HA -0.065 4.276 4.340 0.001 0.000 0.228 279 R C 2.233 178.523 176.300 -0.016 0.000 1.110 279 R CA 0.850 56.931 56.100 -0.032 0.000 0.973 279 R CB -0.080 30.187 30.300 -0.055 0.000 0.869 279 R HN 0.219 nan 8.270 nan 0.000 0.440 280 E N 0.747 120.944 120.200 -0.004 0.000 2.107 280 E HA -0.150 4.201 4.350 0.001 0.000 0.191 280 E C 1.824 178.447 176.600 0.038 0.000 0.982 280 E CA 0.495 56.904 56.400 0.014 0.000 0.809 280 E CB 0.073 29.786 29.700 0.022 0.000 0.756 280 E HN 0.086 nan 8.360 nan 0.000 0.459 281 L N 1.697 122.953 121.223 0.055 0.000 2.127 281 L HA -0.173 4.167 4.340 0.001 0.000 0.211 281 L C 1.607 178.501 176.870 0.040 0.000 1.089 281 L CA 2.170 57.050 54.840 0.066 0.000 0.757 281 L CB -0.974 41.129 42.059 0.073 0.000 0.899 281 L HN 0.179 nan 8.230 nan 0.000 0.434 282 D N -0.632 119.773 120.400 0.007 0.000 2.137 282 D HA -0.149 4.492 4.640 0.001 0.000 0.202 282 D C 2.286 178.594 176.300 0.013 0.000 0.970 282 D CA 0.946 54.941 54.000 -0.008 0.000 0.837 282 D CB 0.047 40.830 40.800 -0.029 0.000 0.981 282 D HN 0.229 nan 8.370 nan 0.000 0.475 283 R N -0.800 119.707 120.500 0.013 0.000 2.170 283 R HA -0.060 4.281 4.340 0.001 0.000 0.242 283 R C 1.602 177.918 176.300 0.026 0.000 1.145 283 R CA 1.344 57.453 56.100 0.016 0.000 0.984 283 R CB -0.175 30.131 30.300 0.010 0.000 0.869 283 R HN 0.179 nan 8.270 nan 0.000 0.455 284 G N -0.388 108.434 108.800 0.036 0.000 3.690 284 G HA2 0.077 4.038 3.960 0.001 0.000 0.283 284 G HA3 0.077 4.038 3.960 0.001 0.000 0.283 284 G C -0.241 174.695 174.900 0.060 0.000 1.057 284 G CA -0.234 44.891 45.100 0.042 0.000 0.821 284 G HN 0.249 nan 8.290 nan 0.000 0.526 285 S N -0.667 115.074 115.700 0.068 0.000 2.713 285 S HA 0.455 4.925 4.470 0.001 0.000 0.283 285 S C 1.057 175.714 174.600 0.096 0.000 1.161 285 S CA -0.693 57.571 58.200 0.106 0.000 0.999 285 S CB 1.741 65.008 63.200 0.112 0.000 1.039 285 S HN -0.026 nan 8.310 nan 0.000 0.548 286 L N 0.760 122.062 121.223 0.131 0.000 2.275 286 L HA 0.136 4.477 4.340 0.001 0.000 0.215 286 L C 0.116 177.063 176.870 0.128 0.000 1.119 286 L CA 1.403 56.318 54.840 0.125 0.000 0.790 286 L CB -0.928 41.233 42.059 0.170 0.000 0.919 286 L HN 0.914 nan 8.230 nan 0.000 0.443 287 N N -1.060 117.718 118.700 0.130 0.000 2.765 287 N HA 0.300 5.041 4.740 0.001 0.000 0.277 287 N C -2.959 172.597 175.510 0.076 0.000 1.750 287 N CA -2.067 51.054 53.050 0.119 0.000 0.827 287 N CB -0.201 38.380 38.487 0.156 0.000 1.200 287 N HN 0.030 nan 8.380 nan 0.000 0.494 288 P HA 0.106 nan 4.420 nan 0.000 0.265 288 P C 1.042 178.361 177.300 0.033 0.000 1.187 288 P CA 1.047 64.169 63.100 0.036 0.000 0.766 288 P CB 0.577 32.298 31.700 0.034 0.000 0.820 289 G N 1.481 110.290 108.800 0.015 0.000 2.212 289 G HA2 -0.224 3.737 3.960 0.001 0.000 0.266 289 G HA3 -0.224 3.737 3.960 0.001 0.000 0.266 289 G C 0.285 175.202 174.900 0.027 0.000 0.978 289 G CA 0.292 45.401 45.100 0.016 0.000 0.632 289 G HN 0.579 nan 8.290 nan 0.000 0.537 290 K N -0.205 120.218 120.400 0.038 0.000 2.245 290 K HA 0.523 4.844 4.320 0.001 0.000 0.234 290 K C 0.905 177.529 176.600 0.041 0.000 1.021 290 K CA -0.643 55.680 56.287 0.060 0.000 0.898 290 K CB 0.426 32.981 32.500 0.092 0.000 1.163 290 K HN 0.162 nan 8.250 nan 0.000 0.459 291 Q N 0.677 120.525 119.800 0.080 0.000 2.378 291 Q HA -0.226 4.115 4.340 0.001 0.000 0.296 291 Q C 1.074 177.083 176.000 0.014 0.000 1.209 291 Q CA 0.418 56.272 55.803 0.084 0.000 0.910 291 Q CB -2.111 26.678 28.738 0.085 0.000 1.240 291 Q HN 0.595 nan 8.270 nan 0.000 0.499 292 L N -1.374 119.858 121.223 0.015 0.000 2.043 292 L HA -0.212 4.129 4.340 0.001 0.000 0.212 292 L C 2.082 178.930 176.870 -0.037 0.000 1.075 292 L CA 2.049 56.867 54.840 -0.038 0.000 0.752 292 L CB -0.527 41.511 42.059 -0.036 0.000 0.891 292 L HN 0.330 nan 8.230 nan 0.000 0.432 293 F N 1.028 120.906 119.950 -0.120 0.000 2.186 293 F HA -0.217 4.310 4.527 0.001 0.000 0.299 293 F C 2.544 178.292 175.800 -0.087 0.000 1.090 293 F CA 1.844 59.752 58.000 -0.155 0.000 1.307 293 F CB -0.210 38.717 39.000 -0.122 0.000 1.019 293 F HN 0.113 nan 8.300 nan 0.000 0.489 294 E N 0.480 120.661 120.200 -0.033 0.000 2.110 294 E HA -0.238 4.113 4.350 0.001 0.000 0.193 294 E C 1.862 178.377 176.600 -0.142 0.000 0.988 294 E CA 1.404 57.771 56.400 -0.054 0.000 0.804 294 E CB -0.172 29.606 29.700 0.129 0.000 0.745 294 E HN 0.438 nan 8.360 nan 0.000 0.458 295 K N -0.434 119.783 120.400 -0.305 0.000 2.504 295 K HA -0.010 4.311 4.320 0.001 0.000 0.195 295 K C 1.635 178.128 176.600 -0.178 0.000 1.036 295 K CA 0.757 56.761 56.287 -0.471 0.000 0.984 295 K CB 0.118 32.239 32.500 -0.632 0.000 0.788 295 K HN 0.301 nan 8.250 nan 0.000 0.488 296 M N -0.795 118.681 119.600 -0.205 0.000 2.461 296 M HA 0.014 4.495 4.480 0.001 0.000 0.255 296 M C 1.337 177.522 176.300 -0.192 0.000 1.137 296 M CA 0.434 55.624 55.300 -0.183 0.000 1.086 296 M CB 0.907 33.364 32.600 -0.238 0.000 1.356 296 M HN -0.095 nan 8.290 nan 0.000 0.487 297 V N -1.632 118.137 119.914 -0.242 0.000 2.911 297 V HA 0.112 4.232 4.120 0.001 0.000 0.237 297 V C 1.076 177.133 176.094 -0.061 0.000 1.156 297 V CA 0.246 62.429 62.300 -0.195 0.000 1.180 297 V CB 0.633 32.212 31.823 -0.406 0.000 0.932 297 V HN 0.279 nan 8.190 nan 0.000 0.483 298 S N 1.015 116.724 115.700 0.016 0.000 2.550 298 S HA 0.135 4.605 4.470 0.001 0.000 0.285 298 S C 1.140 175.751 174.600 0.017 0.000 1.326 298 S CA 0.517 58.765 58.200 0.081 0.000 1.037 298 S CB 0.822 64.196 63.200 0.291 0.000 0.838 298 S HN 0.584 nan 8.310 nan 0.000 0.519 299 G N 3.154 111.916 108.800 -0.062 0.000 3.562 299 G HA2 0.320 4.281 3.960 0.001 0.000 0.279 299 G HA3 0.320 4.281 3.960 0.001 0.000 0.279 299 G C 0.443 175.271 174.900 -0.120 0.000 1.314 299 G CA -0.074 44.972 45.100 -0.091 0.000 1.189 299 G HN 0.768 nan 8.290 nan 0.000 0.562 300 M N -2.182 117.285 119.600 -0.222 0.000 2.251 300 M HA 0.362 4.843 4.480 0.001 0.000 0.308 300 M C 0.587 176.568 176.300 -0.532 0.000 0.967 300 M CA 0.281 55.328 55.300 -0.422 0.000 1.103 300 M CB 0.754 32.971 32.600 -0.639 0.000 1.815 300 M HN 0.102 nan 8.290 nan 0.000 0.623 301 Y N -0.474 119.831 120.300 0.008 0.000 2.462 301 Y HA 0.312 4.862 4.550 0.001 0.000 0.253 301 Y C 2.064 177.966 175.900 0.003 0.000 1.095 301 Y CA 0.258 58.363 58.100 0.009 0.000 1.283 301 Y CB -0.234 38.225 38.460 -0.001 0.000 1.138 301 Y HN 0.168 nan 8.280 nan 0.000 0.522 302 M N 0.251 119.908 119.600 0.095 0.000 2.084 302 M HA -0.162 4.319 4.480 0.001 0.000 0.259 302 M C 2.442 178.778 176.300 0.060 0.000 1.072 302 M CA 2.431 57.768 55.300 0.062 0.000 1.107 302 M CB -0.636 31.987 32.600 0.039 0.000 1.299 302 M HN 0.400 nan 8.290 nan 0.000 0.413 303 G N -0.732 108.127 108.800 0.098 0.000 2.446 303 G HA2 -0.315 3.646 3.960 0.001 0.000 0.217 303 G HA3 -0.315 3.646 3.960 0.001 0.000 0.217 303 G C 1.195 176.156 174.900 0.103 0.000 1.168 303 G CA 1.444 46.656 45.100 0.186 0.000 0.771 303 G HN 0.568 nan 8.290 nan 0.000 0.551 304 E N -0.062 120.194 120.200 0.094 0.000 2.209 304 E HA -0.093 4.257 4.350 0.001 0.000 0.196 304 E C 2.211 178.829 176.600 0.030 0.000 0.993 304 E CA 0.628 57.073 56.400 0.075 0.000 0.819 304 E CB -0.356 29.402 29.700 0.097 0.000 0.745 304 E HN 0.325 nan 8.360 nan 0.000 0.477 305 L N -0.624 120.608 121.223 0.016 0.000 2.109 305 L HA -0.018 4.322 4.340 0.001 0.000 0.207 305 L C 2.145 178.929 176.870 -0.142 0.000 1.086 305 L CA 1.093 55.920 54.840 -0.021 0.000 0.760 305 L CB -0.339 41.718 42.059 -0.003 0.000 0.910 305 L HN 0.102 nan 8.230 nan 0.000 0.437 306 V N -0.193 119.594 119.914 -0.211 0.000 2.307 306 V HA -0.260 3.861 4.120 0.001 0.000 0.245 306 V C 2.737 178.573 176.094 -0.430 0.000 1.045 306 V CA 1.949 64.016 62.300 -0.388 0.000 1.024 306 V CB -0.717 30.748 31.823 -0.596 0.000 0.651 306 V HN 0.483 nan 8.190 nan 0.000 0.449 307 R N -0.140 120.131 120.500 -0.382 0.000 2.103 307 R HA -0.175 4.166 4.340 0.001 0.000 0.242 307 R C 2.246 178.507 176.300 -0.065 0.000 1.142 307 R CA 1.749 57.730 56.100 -0.199 0.000 0.960 307 R CB -0.321 29.971 30.300 -0.013 0.000 0.858 307 R HN 0.457 nan 8.270 nan 0.000 0.439 308 L N 0.203 121.410 121.223 -0.025 0.000 2.201 308 L HA -0.145 4.195 4.340 0.001 0.000 0.212 308 L C 2.268 179.199 176.870 0.101 0.000 1.105 308 L CA 0.927 55.819 54.840 0.087 0.000 0.775 308 L CB -0.199 41.959 42.059 0.165 0.000 0.913 308 L HN 0.252 nan 8.230 nan 0.000 0.440 309 I N -0.662 119.820 120.570 -0.148 0.000 2.277 309 I HA -0.249 3.922 4.170 0.001 0.000 0.243 309 I C 2.347 178.423 176.117 -0.069 0.000 1.094 309 I CA 0.968 62.087 61.300 -0.303 0.000 1.393 309 I CB -0.248 37.420 38.000 -0.554 0.000 1.078 309 I HN 0.138 nan 8.210 nan 0.000 0.417 310 L N 0.246 121.417 121.223 -0.086 0.000 1.990 310 L HA -0.253 4.087 4.340 0.001 0.000 0.213 310 L C 2.687 179.625 176.870 0.113 0.000 1.072 310 L CA 1.368 56.219 54.840 0.019 0.000 0.755 310 L CB -1.003 41.096 42.059 0.067 0.000 0.889 310 L HN 0.115 nan 8.230 nan 0.000 0.432 311 V N 0.252 120.235 119.914 0.115 0.000 2.252 311 V HA -0.338 3.783 4.120 0.001 0.000 0.249 311 V C 2.620 178.800 176.094 0.143 0.000 1.056 311 V CA 2.344 64.726 62.300 0.136 0.000 1.022 311 V CB -0.655 31.236 31.823 0.114 0.000 0.641 311 V HN 0.441 nan 8.190 nan 0.000 0.445 312 K N 0.215 120.726 120.400 0.185 0.000 2.044 312 K HA -0.199 4.121 4.320 0.001 0.000 0.210 312 K C 2.023 178.730 176.600 0.178 0.000 1.049 312 K CA 2.122 58.550 56.287 0.235 0.000 0.927 312 K CB -0.402 32.372 32.500 0.458 0.000 0.713 312 K HN 0.446 nan 8.250 nan 0.000 0.443 313 M N -0.289 119.373 119.600 0.102 0.000 2.123 313 M HA -0.028 4.453 4.480 0.001 0.000 0.263 313 M C 2.351 178.617 176.300 -0.056 0.000 1.069 313 M CA 1.540 56.804 55.300 -0.059 0.000 1.133 313 M CB -0.447 32.005 32.600 -0.248 0.000 1.356 313 M HN 0.300 nan 8.290 nan 0.000 0.415 314 A N 0.962 123.782 122.820 0.000 0.000 1.892 314 A HA -0.218 4.103 4.320 0.001 0.000 0.218 314 A C 2.140 179.772 177.584 0.081 0.000 1.188 314 A CA 2.014 54.099 52.037 0.080 0.000 0.631 314 A CB -0.716 18.474 19.000 0.318 0.000 0.822 314 A HN 0.431 nan 8.150 nan 0.000 0.447 315 K N -0.336 120.119 120.400 0.091 0.000 2.103 315 K HA -0.155 4.166 4.320 0.001 0.000 0.207 315 K C 1.349 177.984 176.600 0.059 0.000 1.048 315 K CA 1.557 57.891 56.287 0.078 0.000 0.930 315 K CB -0.138 32.412 32.500 0.084 0.000 0.716 315 K HN 0.621 nan 8.250 nan 0.000 0.444 316 E N -0.502 119.729 120.200 0.053 0.000 2.476 316 E HA 0.032 4.383 4.350 0.001 0.000 0.191 316 E C 0.714 177.317 176.600 0.005 0.000 1.064 316 E CA 0.319 56.745 56.400 0.043 0.000 0.866 316 E CB 0.509 30.259 29.700 0.082 0.000 0.952 316 E HN 0.477 nan 8.360 nan 0.000 0.492 317 G N 1.668 110.466 108.800 -0.004 0.000 2.166 317 G HA2 -0.311 3.650 3.960 0.001 0.000 0.260 317 G HA3 -0.311 3.650 3.960 0.001 0.000 0.260 317 G C 0.797 175.652 174.900 -0.075 0.000 0.986 317 G CA 0.359 45.447 45.100 -0.021 0.000 0.683 317 G HN 0.333 nan 8.290 nan 0.000 0.527 318 L N -0.725 120.421 121.223 -0.129 0.000 2.591 318 L HA 0.499 4.839 4.340 0.001 0.000 0.228 318 L C 0.913 177.606 176.870 -0.295 0.000 1.133 318 L CA 0.489 55.205 54.840 -0.206 0.000 0.880 318 L CB 0.192 42.074 42.059 -0.296 0.000 1.033 318 L HN 0.267 nan 8.230 nan 0.000 0.450 319 L N -1.329 119.683 121.223 -0.351 0.000 2.482 319 L HA 0.290 4.631 4.340 0.001 0.000 0.263 319 L C -0.748 175.729 176.870 -0.655 0.000 0.957 319 L CA -0.980 53.422 54.840 -0.731 0.000 0.836 319 L CB 1.944 43.303 42.059 -1.168 0.000 1.324 319 L HN -0.074 nan 8.230 nan 0.000 0.406 320 F N 0.397 120.347 119.950 -0.000 0.000 3.091 320 F HA -0.240 4.287 4.527 0.001 0.000 0.288 320 F C 1.239 177.045 175.800 0.009 0.000 0.907 320 F CA 1.177 59.183 58.000 0.011 0.000 1.028 320 F CB -2.658 36.351 39.000 0.015 0.000 1.022 320 F HN 0.897 nan 8.300 nan 0.000 0.665 321 E N -2.010 118.228 120.200 0.064 0.000 2.440 321 E HA 0.146 4.496 4.350 0.001 0.000 0.246 321 E C 2.435 179.072 176.600 0.062 0.000 1.165 321 E CA 1.491 57.919 56.400 0.046 0.000 0.726 321 E CB -2.125 27.610 29.700 0.059 0.000 1.271 321 E HN 2.568 nan 8.360 nan 0.000 0.397 322 G N -1.151 107.688 108.800 0.065 0.000 2.148 322 G HA2 -0.317 3.644 3.960 0.001 0.000 0.254 322 G HA3 -0.317 3.644 3.960 0.001 0.000 0.254 322 G C 0.360 175.333 174.900 0.123 0.000 0.981 322 G CA 1.202 46.349 45.100 0.079 0.000 0.670 322 G HN 1.901 nan 8.290 nan 0.000 0.528 323 R N -0.210 120.396 120.500 0.177 0.000 2.234 323 R HA 0.664 5.004 4.340 0.001 0.000 0.324 323 R C -0.332 176.050 176.300 0.137 0.000 1.054 323 R CA -0.680 55.502 56.100 0.137 0.000 0.912 323 R CB 0.570 30.935 30.300 0.107 0.000 1.030 323 R HN 0.112 nan 8.270 nan 0.000 0.455 324 I N 2.323 122.941 120.570 0.081 0.000 2.607 324 I HA 0.345 4.515 4.170 0.001 0.000 0.305 324 I C 0.368 176.488 176.117 0.006 0.000 0.995 324 I CA -0.323 61.009 61.300 0.053 0.000 1.148 324 I CB 2.204 40.243 38.000 0.065 0.000 1.323 324 I HN 0.798 nan 8.210 nan 0.000 0.461 325 T N 3.678 118.219 114.554 -0.021 0.000 2.916 325 T HA 0.515 4.866 4.350 0.001 0.000 0.292 325 T C -2.369 172.322 174.700 -0.014 0.000 1.055 325 T CA -2.044 60.038 62.100 -0.031 0.000 1.009 325 T CB 1.908 70.734 68.868 -0.070 0.000 1.118 325 T HN 0.253 nan 8.240 nan 0.000 0.497 326 P HA 0.127 nan 4.420 nan 0.000 0.229 326 P C 0.638 177.938 177.300 -0.001 0.000 1.160 326 P CA 0.624 63.723 63.100 -0.001 0.000 0.777 326 P CB 0.260 31.958 31.700 -0.003 0.000 0.814 327 E N -1.135 119.059 120.200 -0.011 0.000 2.230 327 E HA -0.035 4.315 4.350 0.001 0.000 0.192 327 E C 1.601 178.208 176.600 0.012 0.000 0.987 327 E CA 0.327 56.724 56.400 -0.005 0.000 0.841 327 E CB -0.783 28.905 29.700 -0.020 0.000 0.783 327 E HN 0.092 nan 8.360 nan 0.000 0.481 328 L N 0.176 121.399 121.223 0.001 0.000 2.217 328 L HA -0.022 4.319 4.340 0.001 0.000 0.211 328 L C 1.430 178.328 176.870 0.047 0.000 1.107 328 L CA 1.391 56.245 54.840 0.024 0.000 0.783 328 L CB 0.086 42.142 42.059 -0.005 0.000 0.919 328 L HN 0.152 nan 8.230 nan 0.000 0.442 329 L N -1.821 119.423 121.223 0.036 0.000 2.416 329 L HA 0.102 4.443 4.340 0.001 0.000 0.216 329 L C 0.560 177.453 176.870 0.038 0.000 1.098 329 L CA -0.033 54.831 54.840 0.041 0.000 0.840 329 L CB -0.707 41.372 42.059 0.034 0.000 0.981 329 L HN 0.017 nan 8.230 nan 0.000 0.462 330 T N 2.276 116.849 114.554 0.031 0.000 2.817 330 T HA 0.024 4.375 4.350 0.001 0.000 0.295 330 T C 0.610 175.334 174.700 0.039 0.000 0.958 330 T CA -0.145 61.971 62.100 0.027 0.000 1.157 330 T CB 0.537 69.415 68.868 0.017 0.000 0.898 330 T HN 0.158 nan 8.240 nan 0.000 0.536 331 R N 2.563 123.085 120.500 0.036 0.000 2.446 331 R HA 0.240 4.581 4.340 0.001 0.000 0.325 331 R C 1.125 177.449 176.300 0.041 0.000 0.997 331 R CA 1.074 57.200 56.100 0.043 0.000 1.010 331 R CB -0.697 29.625 30.300 0.036 0.000 0.946 331 R HN 1.046 nan 8.270 nan 0.000 0.422 332 G N 4.016 112.852 108.800 0.059 0.000 2.163 332 G HA2 -0.196 3.765 3.960 0.001 0.000 0.213 332 G HA3 -0.196 3.765 3.960 0.001 0.000 0.213 332 G C 0.773 175.705 174.900 0.054 0.000 0.991 332 G CA -0.007 45.125 45.100 0.054 0.000 0.653 332 G HN 0.579 nan 8.290 nan 0.000 0.518 333 K N -0.800 119.642 120.400 0.070 0.000 2.155 333 K HA 0.161 4.482 4.320 0.001 0.000 0.203 333 K C 0.360 176.997 176.600 0.061 0.000 1.052 333 K CA 0.402 56.719 56.287 0.051 0.000 0.948 333 K CB -0.019 32.512 32.500 0.052 0.000 0.728 333 K HN 0.411 nan 8.250 nan 0.000 0.448 334 F N 2.413 122.357 119.950 -0.009 0.000 2.361 334 F HA 0.184 4.712 4.527 0.001 0.000 0.364 334 F C -0.001 175.794 175.800 -0.008 0.000 1.117 334 F CA -1.655 56.340 58.000 -0.007 0.000 1.071 334 F CB 0.422 39.424 39.000 0.003 0.000 1.188 334 F HN 0.030 nan 8.300 nan 0.000 0.464 335 N N 1.284 120.035 118.700 0.086 0.000 2.592 335 N HA 0.333 5.074 4.740 0.001 0.000 0.292 335 N C 0.448 176.033 175.510 0.125 0.000 1.260 335 N CA -0.550 52.565 53.050 0.109 0.000 0.910 335 N CB 0.558 39.051 38.487 0.011 0.000 1.257 335 N HN 0.296 nan 8.380 nan 0.000 0.569 336 T N -0.636 113.968 114.554 0.082 0.000 2.849 336 T HA -0.111 4.239 4.350 0.001 0.000 0.270 336 T C 1.369 176.089 174.700 0.033 0.000 1.066 336 T CA 1.655 63.801 62.100 0.077 0.000 1.130 336 T CB -0.530 68.356 68.868 0.029 0.000 0.864 336 T HN 0.576 nan 8.240 nan 0.000 0.481 337 S N 1.458 117.144 115.700 -0.023 0.000 2.423 337 S HA -0.094 4.377 4.470 0.001 0.000 0.231 337 S C 1.685 176.225 174.600 -0.101 0.000 1.014 337 S CA 0.839 58.999 58.200 -0.065 0.000 0.965 337 S CB -0.269 62.886 63.200 -0.075 0.000 0.785 337 S HN 0.502 nan 8.310 nan 0.000 0.495 338 D N 1.407 121.722 120.400 -0.142 0.000 2.123 338 D HA -0.020 4.620 4.640 0.001 0.000 0.200 338 D C 2.100 178.356 176.300 -0.074 0.000 0.976 338 D CA 0.631 54.468 54.000 -0.271 0.000 0.831 338 D CB -0.611 39.723 40.800 -0.778 0.000 0.974 338 D HN 0.192 nan 8.370 nan 0.000 0.469 339 V N 1.082 121.069 119.914 0.123 0.000 2.255 339 V HA -0.258 3.862 4.120 0.001 0.000 0.247 339 V C 2.500 178.611 176.094 0.029 0.000 1.051 339 V CA 1.910 64.334 62.300 0.207 0.000 1.018 339 V CB -0.702 31.275 31.823 0.256 0.000 0.641 339 V HN 0.148 nan 8.190 nan 0.000 0.445 340 S N 0.242 115.882 115.700 -0.100 0.000 2.359 340 S HA -0.239 4.232 4.470 0.001 0.000 0.224 340 S C 2.200 176.615 174.600 -0.309 0.000 1.035 340 S CA 1.630 59.575 58.200 -0.424 0.000 1.018 340 S CB -0.622 62.397 63.200 -0.301 0.000 0.876 340 S HN 0.674 nan 8.310 nan 0.000 0.448 341 A N 1.520 124.235 122.820 -0.174 0.000 1.858 341 A HA -0.015 4.306 4.320 0.001 0.000 0.216 341 A C 2.082 179.602 177.584 -0.107 0.000 1.190 341 A CA 1.265 53.221 52.037 -0.135 0.000 0.617 341 A CB -0.813 18.117 19.000 -0.117 0.000 0.827 341 A HN 0.477 nan 8.150 nan 0.000 0.443 342 I N -0.222 120.305 120.570 -0.072 0.000 2.399 342 I HA -0.240 3.931 4.170 0.001 0.000 0.254 342 I C 1.713 177.807 176.117 -0.038 0.000 1.146 342 I CA 1.377 62.659 61.300 -0.030 0.000 1.412 342 I CB -0.309 37.722 38.000 0.051 0.000 1.076 342 I HN 0.421 nan 8.210 nan 0.000 0.432 343 E N 0.523 120.685 120.200 -0.065 0.000 2.437 343 E HA 0.030 4.380 4.350 0.001 0.000 0.189 343 E C 0.372 176.917 176.600 -0.092 0.000 1.054 343 E CA -0.144 56.223 56.400 -0.054 0.000 0.874 343 E CB 0.306 30.010 29.700 0.007 0.000 1.011 343 E HN 0.217 nan 8.360 nan 0.000 0.474 344 K N 1.090 121.426 120.400 -0.107 0.000 2.295 344 K HA -0.001 4.320 4.320 0.001 0.000 0.270 344 K C 0.240 176.796 176.600 -0.072 0.000 1.011 344 K CA 0.024 56.252 56.287 -0.098 0.000 0.953 344 K CB 0.741 33.185 32.500 -0.094 0.000 0.956 344 K HN -0.109 nan 8.250 nan 0.000 0.477 345 D N 2.013 122.376 120.400 -0.062 0.000 2.212 345 D HA -0.271 4.369 4.640 0.001 0.000 0.197 345 D C 1.821 178.094 176.300 -0.045 0.000 1.004 345 D CA 2.742 56.713 54.000 -0.049 0.000 0.864 345 D CB -0.082 40.694 40.800 -0.040 0.000 1.027 345 D HN 0.616 nan 8.370 nan 0.000 0.455 346 K N 0.445 120.823 120.400 -0.037 0.000 2.099 346 K HA 0.028 4.349 4.320 0.001 0.000 0.203 346 K C 2.046 178.626 176.600 -0.034 0.000 1.047 346 K CA 1.247 57.518 56.287 -0.026 0.000 0.963 346 K CB -0.944 31.548 32.500 -0.013 0.000 0.759 346 K HN 0.263 nan 8.250 nan 0.000 0.451 347 E N 0.523 120.699 120.200 -0.039 0.000 2.409 347 E HA 0.042 4.393 4.350 0.001 0.000 0.198 347 E C 2.093 178.657 176.600 -0.060 0.000 1.024 347 E CA 0.682 57.056 56.400 -0.043 0.000 0.861 347 E CB -0.376 29.297 29.700 -0.046 0.000 0.788 347 E HN 0.569 nan 8.360 nan 0.000 0.521 348 G N 1.692 110.449 108.800 -0.073 0.000 2.514 348 G HA2 -0.275 3.686 3.960 0.001 0.000 0.217 348 G HA3 -0.275 3.686 3.960 0.001 0.000 0.217 348 G C 1.557 176.397 174.900 -0.099 0.000 1.198 348 G CA 1.043 46.092 45.100 -0.084 0.000 0.780 348 G HN 0.243 nan 8.290 nan 0.000 0.565 349 I N -0.029 120.449 120.570 -0.154 0.000 2.286 349 I HA -0.151 4.020 4.170 0.001 0.000 0.248 349 I C 2.899 178.946 176.117 -0.116 0.000 1.115 349 I CA 0.947 62.113 61.300 -0.223 0.000 1.392 349 I CB -0.401 37.291 38.000 -0.513 0.000 1.065 349 I HN 0.142 nan 8.210 nan 0.000 0.418 350 Q N 0.816 120.579 119.800 -0.062 0.000 2.172 350 Q HA -0.099 4.241 4.340 0.001 0.000 0.200 350 Q C 1.959 177.946 176.000 -0.021 0.000 0.964 350 Q CA 1.068 56.865 55.803 -0.011 0.000 0.855 350 Q CB -0.388 28.357 28.738 0.011 0.000 0.918 350 Q HN 0.540 nan 8.270 nan 0.000 0.444 351 N N 0.746 119.422 118.700 -0.041 0.000 2.142 351 N HA -0.105 4.636 4.740 0.001 0.000 0.186 351 N C 1.649 177.132 175.510 -0.045 0.000 1.023 351 N CA 1.284 54.304 53.050 -0.051 0.000 0.852 351 N CB -0.223 38.225 38.487 -0.065 0.000 0.998 351 N HN 0.210 nan 8.380 nan 0.000 0.424 352 A N 1.257 124.058 122.820 -0.031 0.000 1.908 352 A HA -0.202 4.118 4.320 0.001 0.000 0.218 352 A C 2.248 179.844 177.584 0.020 0.000 1.181 352 A CA 1.657 53.697 52.037 0.006 0.000 0.627 352 A CB -0.453 18.553 19.000 0.011 0.000 0.818 352 A HN 0.283 nan 8.150 nan 0.000 0.445 353 K N -0.069 120.340 120.400 0.015 0.000 1.973 353 K HA -0.209 4.112 4.320 0.001 0.000 0.210 353 K C 2.138 178.742 176.600 0.005 0.000 1.045 353 K CA 1.670 57.976 56.287 0.032 0.000 0.937 353 K CB -0.275 32.254 32.500 0.048 0.000 0.721 353 K HN 0.708 nan 8.250 nan 0.000 0.438 354 E N 0.497 120.691 120.200 -0.011 0.000 2.147 354 E HA -0.249 4.102 4.350 0.001 0.000 0.199 354 E C 1.841 178.411 176.600 -0.050 0.000 1.005 354 E CA 1.835 58.219 56.400 -0.027 0.000 0.810 354 E CB -0.380 29.300 29.700 -0.033 0.000 0.736 354 E HN 0.410 nan 8.360 nan 0.000 0.460 355 I N 0.471 121.000 120.570 -0.068 0.000 2.339 355 I HA -0.159 4.012 4.170 0.001 0.000 0.245 355 I C 2.534 178.597 176.117 -0.090 0.000 1.096 355 I CA 0.595 61.826 61.300 -0.114 0.000 1.408 355 I CB -0.141 37.747 38.000 -0.188 0.000 1.092 355 I HN 0.115 nan 8.210 nan 0.000 0.423 356 L N 0.350 121.551 121.223 -0.037 0.000 2.131 356 L HA -0.196 4.145 4.340 0.001 0.000 0.210 356 L C 2.469 179.296 176.870 -0.071 0.000 1.092 356 L CA 1.443 56.272 54.840 -0.018 0.000 0.759 356 L CB -0.680 41.419 42.059 0.067 0.000 0.903 356 L HN 0.312 nan 8.230 nan 0.000 0.435 357 T N -1.671 112.855 114.554 -0.047 0.000 2.942 357 T HA -0.107 4.244 4.350 0.001 0.000 0.265 357 T C 1.973 176.637 174.700 -0.060 0.000 1.062 357 T CA 0.563 62.633 62.100 -0.051 0.000 1.139 357 T CB -0.110 68.744 68.868 -0.024 0.000 0.883 357 T HN 0.231 nan 8.240 nan 0.000 0.468 358 R N 0.547 121.010 120.500 -0.062 0.000 2.193 358 R HA 0.101 4.442 4.340 0.001 0.000 0.229 358 R C 1.796 178.055 176.300 -0.068 0.000 1.110 358 R CA 0.756 56.818 56.100 -0.063 0.000 0.988 358 R CB -0.295 29.961 30.300 -0.074 0.000 0.871 358 R HN 0.379 nan 8.270 nan 0.000 0.458 359 L N -0.871 120.304 121.223 -0.081 0.000 2.599 359 L HA 0.098 4.438 4.340 0.001 0.000 0.230 359 L C 1.334 178.142 176.870 -0.104 0.000 1.141 359 L CA 0.706 55.496 54.840 -0.083 0.000 0.877 359 L CB 0.104 42.114 42.059 -0.082 0.000 1.009 359 L HN 0.502 nan 8.230 nan 0.000 0.447 360 G N 0.279 109.020 108.800 -0.099 0.000 2.241 360 G HA2 -0.282 3.679 3.960 0.001 0.000 0.244 360 G HA3 -0.282 3.679 3.960 0.001 0.000 0.244 360 G C 0.454 175.280 174.900 -0.122 0.000 0.998 360 G CA 0.222 45.267 45.100 -0.092 0.000 0.621 360 G HN 0.226 nan 8.290 nan 0.000 0.519 361 V N -1.130 118.653 119.914 -0.217 0.000 2.649 361 V HA 0.765 4.886 4.120 0.001 0.000 0.292 361 V C 0.220 176.230 176.094 -0.139 0.000 1.055 361 V CA -0.879 61.258 62.300 -0.272 0.000 1.023 361 V CB 1.663 33.028 31.823 -0.764 0.000 0.992 361 V HN 0.214 nan 8.190 nan 0.000 0.480 362 E N 5.791 125.969 120.200 -0.037 0.000 1.941 362 E HA 0.367 4.718 4.350 0.001 0.000 0.275 362 E C -2.494 174.158 176.600 0.086 0.000 1.113 362 E CA -1.521 54.892 56.400 0.021 0.000 0.878 362 E CB 0.477 30.198 29.700 0.036 0.000 1.070 362 E HN 0.707 nan 8.360 nan 0.000 0.399 363 P HA 0.037 nan 4.420 nan 0.000 0.276 363 P C -0.602 176.797 177.300 0.164 0.000 1.230 363 P CA -0.377 62.842 63.100 0.198 0.000 0.776 363 P CB 1.212 33.012 31.700 0.167 0.000 0.888 364 S N 1.256 117.062 115.700 0.178 0.000 2.686 364 S HA 0.225 4.695 4.470 0.001 0.000 0.270 364 S C 0.797 175.503 174.600 0.176 0.000 1.194 364 S CA -0.465 57.824 58.200 0.147 0.000 0.990 364 S CB 0.443 63.714 63.200 0.119 0.000 1.029 364 S HN 0.307 nan 8.310 nan 0.000 0.560 365 D N 0.161 120.690 120.400 0.215 0.000 2.219 365 D HA -0.033 4.608 4.640 0.001 0.000 0.205 365 D C 1.912 178.381 176.300 0.281 0.000 0.970 365 D CA 0.517 54.728 54.000 0.352 0.000 0.851 365 D CB -0.385 40.667 40.800 0.419 0.000 0.943 365 D HN 0.279 nan 8.370 nan 0.000 0.488 366 V N 1.397 121.409 119.914 0.162 0.000 2.270 366 V HA -0.206 3.915 4.120 0.001 0.000 0.245 366 V C 1.923 178.046 176.094 0.048 0.000 1.043 366 V CA 1.650 63.998 62.300 0.080 0.000 1.014 366 V CB -0.313 31.533 31.823 0.039 0.000 0.645 366 V HN 0.085 nan 8.190 nan 0.000 0.447 367 D N -0.317 120.119 120.400 0.060 0.000 2.116 367 D HA -0.202 4.439 4.640 0.001 0.000 0.193 367 D C 2.201 178.553 176.300 0.086 0.000 0.998 367 D CA 1.955 55.986 54.000 0.053 0.000 0.836 367 D CB -0.532 40.383 40.800 0.191 0.000 0.951 367 D HN 0.472 nan 8.370 nan 0.000 0.449 368 C N 0.344 119.706 119.300 0.102 0.000 2.413 368 C HA -0.088 4.372 4.460 0.001 0.000 0.276 368 C C 2.966 177.942 174.990 -0.023 0.000 1.236 368 C CA 0.138 59.186 59.018 0.050 0.000 1.735 368 C CB -0.932 26.821 27.740 0.022 0.000 2.031 368 C HN 0.176 nan 8.230 nan 0.000 0.474 369 V N 0.625 120.511 119.914 -0.046 0.000 2.490 369 V HA -0.180 3.940 4.120 0.001 0.000 0.250 369 V C 2.481 178.559 176.094 -0.027 0.000 1.061 369 V CA 2.316 64.565 62.300 -0.085 0.000 1.064 369 V CB -0.409 31.382 31.823 -0.054 0.000 0.670 369 V HN 0.600 nan 8.190 nan 0.000 0.461 370 S N -0.520 115.173 115.700 -0.010 0.000 2.348 370 S HA -0.110 4.361 4.470 0.001 0.000 0.219 370 S C 1.865 176.477 174.600 0.021 0.000 1.033 370 S CA 1.302 59.500 58.200 -0.005 0.000 0.974 370 S CB -0.075 63.083 63.200 -0.070 0.000 0.868 370 S HN 0.384 nan 8.310 nan 0.000 0.459 371 V N 2.140 122.070 119.914 0.027 0.000 3.026 371 V HA -0.158 3.962 4.120 0.001 0.000 0.265 371 V C 2.355 178.491 176.094 0.071 0.000 1.121 371 V CA 1.468 63.803 62.300 0.059 0.000 1.142 371 V CB -0.669 31.249 31.823 0.160 0.000 0.730 371 V HN 0.477 nan 8.190 nan 0.000 0.503 372 Q N -0.713 119.123 119.800 0.060 0.000 2.204 372 Q HA -0.170 4.171 4.340 0.001 0.000 0.198 372 Q C 2.264 178.317 176.000 0.088 0.000 0.946 372 Q CA 1.091 56.928 55.803 0.058 0.000 0.859 372 Q CB 0.037 28.780 28.738 0.009 0.000 0.946 372 Q HN 0.741 nan 8.270 nan 0.000 0.474 373 H N 0.615 119.674 119.070 -0.019 0.000 2.389 373 H HA 0.010 4.567 4.556 0.001 0.000 0.299 373 H C 1.805 177.132 175.328 -0.003 0.000 1.081 373 H CA 1.531 57.573 56.048 -0.009 0.000 1.345 373 H CB -0.066 29.687 29.762 -0.014 0.000 1.393 373 H HN 0.223 nan 8.280 nan 0.000 0.520 374 I N -1.031 119.528 120.570 -0.019 0.000 2.361 374 I HA -0.315 3.855 4.170 0.001 0.000 0.251 374 I C 2.241 178.299 176.117 -0.097 0.000 1.133 374 I CA 0.834 62.078 61.300 -0.094 0.000 1.413 374 I CB -0.360 37.580 38.000 -0.100 0.000 1.073 374 I HN 0.344 nan 8.210 nan 0.000 0.424 375 C N 0.349 119.628 119.300 -0.035 0.000 2.446 375 C HA -0.096 4.365 4.460 0.001 0.000 0.279 375 C C 2.993 177.991 174.990 0.014 0.000 1.366 375 C CA 1.237 60.263 59.018 0.014 0.000 1.763 375 C CB -0.932 26.864 27.740 0.094 0.000 1.929 375 C HN 0.510 nan 8.230 nan 0.000 0.509 376 T N 1.400 115.933 114.554 -0.036 0.000 2.732 376 T HA -0.037 4.314 4.350 0.001 0.000 0.261 376 T C 1.613 176.301 174.700 -0.021 0.000 1.040 376 T CA 1.255 63.329 62.100 -0.044 0.000 1.145 376 T CB -0.228 68.598 68.868 -0.070 0.000 0.866 376 T HN 0.452 nan 8.240 nan 0.000 0.427 377 I N 1.075 121.575 120.570 -0.117 0.000 2.264 377 I HA -0.151 4.020 4.170 0.001 0.000 0.248 377 I C 2.345 178.451 176.117 -0.018 0.000 1.111 377 I CA 0.959 62.221 61.300 -0.064 0.000 1.382 377 I CB -0.443 37.473 38.000 -0.140 0.000 1.060 377 I HN 0.094 nan 8.210 nan 0.000 0.418 378 V N 0.376 120.267 119.914 -0.038 0.000 2.591 378 V HA -0.152 3.968 4.120 0.001 0.000 0.249 378 V C 2.450 178.556 176.094 0.019 0.000 1.053 378 V CA 1.900 64.181 62.300 -0.031 0.000 1.068 378 V CB -0.317 31.465 31.823 -0.068 0.000 0.689 378 V HN 0.576 nan 8.190 nan 0.000 0.462 379 S N -0.932 114.792 115.700 0.039 0.000 2.470 379 S HA -0.013 4.457 4.470 0.001 0.000 0.225 379 S C 1.901 176.563 174.600 0.105 0.000 1.006 379 S CA 0.477 58.705 58.200 0.046 0.000 0.934 379 S CB -0.324 62.819 63.200 -0.095 0.000 0.778 379 S HN 0.394 nan 8.310 nan 0.000 0.517 380 F N 3.061 122.952 119.950 -0.099 0.000 2.219 380 F HA 0.349 4.877 4.527 0.001 0.000 0.294 380 F C 2.481 178.212 175.800 -0.115 0.000 1.086 380 F CA 0.145 58.066 58.000 -0.132 0.000 1.330 380 F CB -0.697 38.239 39.000 -0.108 0.000 1.047 380 F HN 0.207 nan 8.300 nan 0.000 0.495 381 R N -0.421 120.109 120.500 0.051 0.000 2.096 381 R HA -0.153 4.187 4.340 0.001 0.000 0.235 381 R C 2.507 178.782 176.300 -0.043 0.000 1.127 381 R CA 1.576 57.636 56.100 -0.067 0.000 0.968 381 R CB -0.461 29.796 30.300 -0.072 0.000 0.861 381 R HN 0.265 nan 8.270 nan 0.000 0.440 382 S N -0.147 115.566 115.700 0.023 0.000 2.348 382 S HA -0.126 4.345 4.470 0.001 0.000 0.221 382 S C 2.022 176.662 174.600 0.068 0.000 1.033 382 S CA 1.302 59.537 58.200 0.057 0.000 1.010 382 S CB -0.292 63.029 63.200 0.202 0.000 0.891 382 S HN 0.538 nan 8.310 nan 0.000 0.442 383 A N 1.445 124.226 122.820 -0.066 0.000 1.933 383 A HA -0.110 4.210 4.320 0.001 0.000 0.218 383 A C 2.004 179.618 177.584 0.049 0.000 1.175 383 A CA 1.751 53.593 52.037 -0.324 0.000 0.628 383 A CB -1.021 17.551 19.000 -0.713 0.000 0.814 383 A HN 0.785 nan 8.150 nan 0.000 0.444 384 N N -0.437 118.268 118.700 0.009 0.000 2.188 384 N HA -0.034 4.706 4.740 0.001 0.000 0.184 384 N C 1.588 177.103 175.510 0.009 0.000 1.018 384 N CA 1.054 54.085 53.050 -0.031 0.000 0.858 384 N CB -0.192 38.179 38.487 -0.193 0.000 0.989 384 N HN 0.425 nan 8.380 nan 0.000 0.426 385 L N 0.618 121.839 121.223 -0.003 0.000 2.141 385 L HA -0.083 4.258 4.340 0.001 0.000 0.209 385 L C 2.023 178.943 176.870 0.082 0.000 1.094 385 L CA 0.617 55.479 54.840 0.037 0.000 0.763 385 L CB -0.064 41.963 42.059 -0.052 0.000 0.908 385 L HN 0.043 nan 8.230 nan 0.000 0.437 386 V N -0.570 119.387 119.914 0.071 0.000 2.649 386 V HA -0.094 4.027 4.120 0.001 0.000 0.248 386 V C 2.636 178.904 176.094 0.289 0.000 1.054 386 V CA 1.294 63.643 62.300 0.083 0.000 1.073 386 V CB -0.548 31.339 31.823 0.107 0.000 0.699 386 V HN 0.412 nan 8.190 nan 0.000 0.463 387 A N 0.533 123.582 122.820 0.382 0.000 1.902 387 A HA -0.112 4.209 4.320 0.001 0.000 0.217 387 A C 2.442 180.092 177.584 0.109 0.000 1.181 387 A CA 2.097 54.300 52.037 0.278 0.000 0.623 387 A CB -0.744 18.326 19.000 0.117 0.000 0.818 387 A HN 0.536 nan 8.150 nan 0.000 0.443 388 A N -0.186 122.659 122.820 0.041 0.000 1.845 388 A HA -0.135 4.186 4.320 0.001 0.000 0.215 388 A C 2.510 180.044 177.584 -0.083 0.000 1.195 388 A CA 2.857 54.885 52.037 -0.015 0.000 0.616 388 A CB -1.532 17.459 19.000 -0.014 0.000 0.832 388 A HN 0.793 nan 8.150 nan 0.000 0.443 389 T N -1.897 112.480 114.554 -0.295 0.000 2.821 389 T HA -0.111 4.239 4.350 0.001 0.000 0.267 389 T C 1.772 176.419 174.700 -0.089 0.000 1.046 389 T CA 1.475 63.191 62.100 -0.641 0.000 1.139 389 T CB -0.500 67.283 68.868 -1.808 0.000 0.871 389 T HN 0.232 nan 8.240 nan 0.000 0.454 390 L N 2.152 123.443 121.223 0.114 0.000 2.141 390 L HA 0.282 4.622 4.340 0.001 0.000 0.209 390 L C 2.630 179.625 176.870 0.209 0.000 1.094 390 L CA 1.801 56.880 54.840 0.399 0.000 0.763 390 L CB -1.180 41.204 42.059 0.541 0.000 0.908 390 L HN 0.379 nan 8.230 nan 0.000 0.437 391 G N -0.850 108.025 108.800 0.125 0.000 2.440 391 G HA2 -0.301 3.659 3.960 0.001 0.000 0.218 391 G HA3 -0.301 3.659 3.960 0.001 0.000 0.218 391 G C 1.603 176.535 174.900 0.053 0.000 1.154 391 G CA 0.838 45.978 45.100 0.065 0.000 0.767 391 G HN 0.622 nan 8.290 nan 0.000 0.552 392 A N 0.715 123.588 122.820 0.087 0.000 1.902 392 A HA 0.076 4.397 4.320 0.001 0.000 0.217 392 A C 2.402 179.990 177.584 0.007 0.000 1.181 392 A CA 1.214 53.296 52.037 0.075 0.000 0.623 392 A CB -0.342 18.778 19.000 0.199 0.000 0.818 392 A HN 0.369 nan 8.150 nan 0.000 0.443 393 I N -0.265 120.326 120.570 0.035 0.000 2.286 393 I HA -0.267 3.904 4.170 0.001 0.000 0.248 393 I C 2.337 178.361 176.117 -0.154 0.000 1.115 393 I CA 1.146 62.333 61.300 -0.189 0.000 1.392 393 I CB -0.331 37.571 38.000 -0.163 0.000 1.065 393 I HN 0.320 nan 8.210 nan 0.000 0.418 394 L N 0.252 121.448 121.223 -0.045 0.000 2.046 394 L HA -0.217 4.123 4.340 0.001 0.000 0.208 394 L C 2.257 179.104 176.870 -0.038 0.000 1.077 394 L CA 1.242 56.061 54.840 -0.036 0.000 0.747 394 L CB -0.718 41.332 42.059 -0.015 0.000 0.896 394 L HN 0.301 nan 8.230 nan 0.000 0.432 395 N N 0.251 118.929 118.700 -0.036 0.000 2.106 395 N HA -0.197 4.544 4.740 0.001 0.000 0.188 395 N C 1.876 177.359 175.510 -0.045 0.000 1.029 395 N CA 1.104 54.132 53.050 -0.035 0.000 0.848 395 N CB -0.286 38.181 38.487 -0.033 0.000 1.007 395 N HN 0.176 nan 8.380 nan 0.000 0.423 396 R N 0.695 121.151 120.500 -0.073 0.000 2.105 396 R HA 0.021 4.362 4.340 0.001 0.000 0.239 396 R C 2.000 178.292 176.300 -0.014 0.000 1.135 396 R CA 0.951 57.008 56.100 -0.071 0.000 0.967 396 R CB -0.331 29.887 30.300 -0.135 0.000 0.861 396 R HN 0.210 nan 8.270 nan 0.000 0.442 397 L N -0.232 120.983 121.223 -0.013 0.000 2.072 397 L HA -0.060 4.281 4.340 0.001 0.000 0.205 397 L C 2.819 179.701 176.870 0.020 0.000 1.079 397 L CA 1.316 56.178 54.840 0.036 0.000 0.752 397 L CB -0.407 41.671 42.059 0.032 0.000 0.906 397 L HN 0.264 nan 8.230 nan 0.000 0.436 398 R N 0.236 120.735 120.500 -0.002 0.000 2.083 398 R HA -0.201 4.140 4.340 0.001 0.000 0.237 398 R C 1.819 178.120 176.300 0.003 0.000 1.137 398 R CA 2.100 58.199 56.100 -0.003 0.000 0.951 398 R CB -0.139 30.154 30.300 -0.012 0.000 0.851 398 R HN 0.316 nan 8.270 nan 0.000 0.434 399 D N 0.272 120.671 120.400 -0.001 0.000 2.097 399 D HA -0.134 4.507 4.640 0.001 0.000 0.195 399 D C 1.529 177.845 176.300 0.026 0.000 0.989 399 D CA 1.087 55.088 54.000 0.002 0.000 0.827 399 D CB -0.528 40.261 40.800 -0.018 0.000 0.966 399 D HN 0.218 nan 8.370 nan 0.000 0.456 400 N N 0.458 119.185 118.700 0.044 0.000 2.348 400 N HA -0.111 4.630 4.740 0.001 0.000 0.185 400 N C 1.293 176.837 175.510 0.056 0.000 1.019 400 N CA 0.701 53.801 53.050 0.084 0.000 0.880 400 N CB -0.013 38.540 38.487 0.111 0.000 0.965 400 N HN 0.271 nan 8.380 nan 0.000 0.437 401 K N -0.995 119.426 120.400 0.035 0.000 2.400 401 K HA 0.164 4.485 4.320 0.001 0.000 0.194 401 K C 1.275 177.885 176.600 0.016 0.000 1.033 401 K CA 0.530 56.831 56.287 0.022 0.000 1.021 401 K CB 0.284 32.792 32.500 0.014 0.000 0.808 401 K HN 0.168 nan 8.250 nan 0.000 0.505 402 G N 1.638 110.448 108.800 0.017 0.000 2.328 402 G HA2 -0.372 3.588 3.960 0.001 0.000 0.256 402 G HA3 -0.372 3.588 3.960 0.001 0.000 0.256 402 G C 0.575 175.478 174.900 0.005 0.000 1.014 402 G CA 1.035 46.142 45.100 0.012 0.000 0.620 402 G HN 0.472 nan 8.290 nan 0.000 0.530 403 T N -0.537 114.019 114.554 0.003 0.000 2.802 403 T HA 0.563 4.913 4.350 0.001 0.000 0.305 403 T C -0.566 174.133 174.700 -0.003 0.000 1.053 403 T CA -0.296 61.804 62.100 -0.000 0.000 1.058 403 T CB 2.100 70.967 68.868 -0.002 0.000 0.988 403 T HN 0.176 nan 8.240 nan 0.000 0.539 404 P HA 0.208 nan 4.420 nan 0.000 0.252 404 P C 0.325 177.621 177.300 -0.008 0.000 1.218 404 P CA 0.113 63.210 63.100 -0.006 0.000 0.807 404 P CB 0.664 32.361 31.700 -0.005 0.000 1.072 405 R N 0.206 120.701 120.500 -0.008 0.000 2.621 405 R HA 0.558 4.899 4.340 0.001 0.000 0.292 405 R C -1.249 175.044 176.300 -0.012 0.000 0.969 405 R CA -0.943 55.151 56.100 -0.010 0.000 0.887 405 R CB 1.907 32.202 30.300 -0.009 0.000 1.180 405 R HN -0.013 nan 8.270 nan 0.000 0.450 406 L N 2.571 123.783 121.223 -0.017 0.000 2.329 406 L HA 0.567 4.908 4.340 0.001 0.000 0.279 406 L C -0.985 175.867 176.870 -0.029 0.000 1.014 406 L CA -0.357 54.470 54.840 -0.021 0.000 0.814 406 L CB 1.475 43.519 42.059 -0.025 0.000 1.257 406 L HN 0.544 nan 8.230 nan 0.000 0.424 407 R N 2.734 123.216 120.500 -0.030 0.000 2.521 407 R HA 0.629 4.970 4.340 0.001 0.000 0.295 407 R C -1.147 175.127 176.300 -0.043 0.000 1.183 407 R CA -0.041 56.037 56.100 -0.037 0.000 0.957 407 R CB 1.225 31.510 30.300 -0.025 0.000 1.171 407 R HN 0.831 nan 8.270 nan 0.000 0.494 408 T N 0.790 115.304 114.554 -0.067 0.000 2.804 408 T HA 0.637 4.987 4.350 0.001 0.000 0.290 408 T C -1.197 173.433 174.700 -0.117 0.000 1.099 408 T CA -0.397 61.659 62.100 -0.074 0.000 1.011 408 T CB 1.816 70.643 68.868 -0.068 0.000 1.291 408 T HN 0.412 nan 8.240 nan 0.000 0.523 409 T N 1.469 115.952 114.554 -0.118 0.000 2.928 409 T HA 0.560 4.910 4.350 0.001 0.000 0.296 409 T C -1.121 173.484 174.700 -0.158 0.000 1.000 409 T CA -0.422 61.587 62.100 -0.152 0.000 0.989 409 T CB 1.313 70.136 68.868 -0.075 0.000 1.005 409 T HN 0.441 nan 8.240 nan 0.000 0.442 410 V N 2.707 122.452 119.914 -0.280 0.000 2.370 410 V HA 0.662 4.783 4.120 0.001 0.000 0.279 410 V C 0.858 176.940 176.094 -0.020 0.000 1.029 410 V CA -0.758 61.437 62.300 -0.175 0.000 0.870 410 V CB 1.484 33.115 31.823 -0.319 0.000 0.984 410 V HN 1.027 nan 8.190 nan 0.000 0.451 411 G N 4.400 113.217 108.800 0.028 0.000 2.327 411 G HA2 0.544 4.505 3.960 0.001 0.000 0.302 411 G HA3 0.544 4.505 3.960 0.001 0.000 0.302 411 G C -0.418 174.514 174.900 0.054 0.000 1.113 411 G CA -0.234 44.903 45.100 0.061 0.000 0.921 411 G HN 0.606 nan 8.290 nan 0.000 0.425 412 V N 1.933 121.879 119.914 0.054 0.000 2.966 412 V HA 0.728 4.848 4.120 0.001 0.000 0.317 412 V C -0.246 175.800 176.094 -0.080 0.000 1.070 412 V CA -0.955 61.287 62.300 -0.097 0.000 1.008 412 V CB 1.992 33.539 31.823 -0.460 0.000 1.070 412 V HN 0.660 nan 8.190 nan 0.000 0.457 413 D N -0.947 119.384 120.400 -0.115 0.000 2.692 413 D HA 0.601 5.242 4.640 0.001 0.000 0.290 413 D C -0.524 175.756 176.300 -0.034 0.000 1.281 413 D CA 0.844 54.827 54.000 -0.029 0.000 0.804 413 D CB 2.195 42.987 40.800 -0.012 0.000 1.331 413 D HN 1.262 nan 8.370 nan 0.000 0.432 414 G N 0.091 108.900 108.800 0.015 0.000 2.841 414 G HA2 0.014 3.974 3.960 0.001 0.000 0.684 414 G HA3 0.014 3.974 3.960 0.001 0.000 0.684 414 G C 0.599 175.527 174.900 0.046 0.000 1.273 414 G CA 0.288 45.395 45.100 0.011 0.000 0.811 414 G HN 0.315 nan 8.290 nan 0.000 0.631 415 S N 0.807 116.514 115.700 0.011 0.000 2.351 415 S HA -0.176 4.295 4.470 0.001 0.000 0.220 415 S C 2.611 177.200 174.600 -0.018 0.000 1.035 415 S CA 1.882 60.084 58.200 0.003 0.000 1.031 415 S CB -0.342 62.849 63.200 -0.016 0.000 0.928 415 S HN 1.260 nan 8.310 nan 0.000 0.433 416 L N 0.794 121.969 121.223 -0.081 0.000 2.034 416 L HA -0.202 4.138 4.340 0.001 0.000 0.217 416 L C 2.025 178.772 176.870 -0.205 0.000 1.077 416 L CA 1.973 56.696 54.840 -0.194 0.000 0.769 416 L CB -1.001 40.834 42.059 -0.374 0.000 0.890 416 L HN 0.436 nan 8.230 nan 0.000 0.435 417 Y N 0.232 120.379 120.300 -0.257 0.000 2.109 417 Y HA -0.263 4.288 4.550 0.001 0.000 0.285 417 Y C 2.730 178.616 175.900 -0.023 0.000 1.131 417 Y CA 2.347 60.380 58.100 -0.112 0.000 1.121 417 Y CB -0.263 38.156 38.460 -0.069 0.000 0.987 417 Y HN 0.186 nan 8.280 nan 0.000 0.495 418 K N -0.827 119.683 120.400 0.183 0.000 2.280 418 K HA -0.129 4.192 4.320 0.001 0.000 0.202 418 K C 1.402 178.001 176.600 -0.002 0.000 1.047 418 K CA 1.397 57.745 56.287 0.101 0.000 0.942 418 K CB 0.044 32.632 32.500 0.146 0.000 0.739 418 K HN 0.362 nan 8.250 nan 0.000 0.457 419 M N -1.133 118.458 119.600 -0.014 0.000 2.564 419 M HA 0.043 4.523 4.480 0.001 0.000 0.254 419 M C 0.385 176.662 176.300 -0.039 0.000 1.299 419 M CA 0.135 55.417 55.300 -0.031 0.000 1.143 419 M CB -0.151 32.431 32.600 -0.029 0.000 1.427 419 M HN 0.054 nan 8.290 nan 0.000 0.538 420 H N 4.371 123.381 119.070 -0.099 0.000 2.886 420 H HA 0.093 4.650 4.556 0.001 0.000 0.329 420 H C -1.666 173.619 175.328 -0.073 0.000 1.044 420 H CA -0.688 55.316 56.048 -0.073 0.000 1.456 420 H CB 1.358 31.084 29.762 -0.059 0.000 1.464 420 H HN 0.022 nan 8.280 nan 0.000 0.573 421 P HA -0.094 nan 4.420 nan 0.000 0.226 421 P C 0.531 177.852 177.300 0.034 0.000 1.153 421 P CA 0.966 64.033 63.100 -0.055 0.000 0.777 421 P CB 0.705 32.321 31.700 -0.140 0.000 0.794 422 Q N -2.487 117.457 119.800 0.240 0.000 2.322 422 Q HA 0.061 4.402 4.340 0.001 0.000 0.250 422 Q C 1.969 177.936 176.000 -0.056 0.000 0.853 422 Q CA 0.024 55.859 55.803 0.053 0.000 0.951 422 Q CB -0.653 28.104 28.738 0.031 0.000 1.114 422 Q HN 0.226 nan 8.270 nan 0.000 0.523 423 Y N 2.366 122.596 120.300 -0.116 0.000 2.030 423 Y HA -0.332 4.218 4.550 0.001 0.000 0.274 423 Y C 2.822 178.602 175.900 -0.200 0.000 1.153 423 Y CA 2.378 60.330 58.100 -0.247 0.000 1.115 423 Y CB -0.294 37.995 38.460 -0.285 0.000 0.969 423 Y HN 0.157 nan 8.280 nan 0.000 0.488 424 S N 0.150 115.743 115.700 -0.177 0.000 2.377 424 S HA -0.324 4.147 4.470 0.001 0.000 0.224 424 S C 2.068 176.389 174.600 -0.464 0.000 1.042 424 S CA 2.330 60.239 58.200 -0.485 0.000 1.086 424 S CB -0.436 62.326 63.200 -0.730 0.000 0.995 424 S HN 0.580 nan 8.310 nan 0.000 0.428 425 R N 1.106 121.407 120.500 -0.331 0.000 2.148 425 R HA 0.171 4.511 4.340 0.001 0.000 0.227 425 R C 2.311 178.544 176.300 -0.113 0.000 1.103 425 R CA 1.227 57.196 56.100 -0.217 0.000 0.983 425 R CB -0.830 29.392 30.300 -0.130 0.000 0.874 425 R HN 0.438 nan 8.270 nan 0.000 0.451 426 R N -0.342 120.068 120.500 -0.150 0.000 2.090 426 R HA -0.015 4.326 4.340 0.001 0.000 0.228 426 R C 1.890 178.240 176.300 0.084 0.000 1.110 426 R CA 1.409 57.458 56.100 -0.085 0.000 0.973 426 R CB -0.432 29.646 30.300 -0.370 0.000 0.869 426 R HN 0.287 nan 8.270 nan 0.000 0.440 427 F N 1.057 120.906 119.950 -0.168 0.000 2.113 427 F HA -0.140 4.387 4.527 0.001 0.000 0.297 427 F C 2.013 177.862 175.800 0.081 0.000 1.103 427 F CA 1.490 59.436 58.000 -0.090 0.000 1.248 427 F CB -0.492 38.410 39.000 -0.163 0.000 0.999 427 F HN 0.023 nan 8.300 nan 0.000 0.475 428 H N 0.046 118.950 119.070 -0.277 0.000 2.267 428 H HA -0.160 4.397 4.556 0.001 0.000 0.297 428 H C 2.444 177.662 175.328 -0.183 0.000 1.080 428 H CA 1.590 57.435 56.048 -0.338 0.000 1.278 428 H CB -0.336 29.331 29.762 -0.159 0.000 1.365 428 H HN 0.300 nan 8.280 nan 0.000 0.489 429 K N 0.839 121.272 120.400 0.055 0.000 2.020 429 K HA -0.196 4.124 4.320 0.001 0.000 0.212 429 K C 2.252 178.859 176.600 0.010 0.000 1.050 429 K CA 2.181 58.490 56.287 0.038 0.000 0.929 429 K CB -1.586 30.947 32.500 0.054 0.000 0.714 429 K HN 0.338 nan 8.250 nan 0.000 0.443 430 T N 0.964 115.528 114.554 0.016 0.000 2.720 430 T HA -0.117 4.234 4.350 0.001 0.000 0.268 430 T C 2.002 176.670 174.700 -0.053 0.000 1.037 430 T CA 1.348 63.446 62.100 -0.004 0.000 1.144 430 T CB -0.343 68.537 68.868 0.020 0.000 0.864 430 T HN 0.378 nan 8.240 nan 0.000 0.444 431 L N 1.362 122.504 121.223 -0.135 0.000 1.970 431 L HA -0.106 4.234 4.340 0.001 0.000 0.212 431 L C 2.461 179.292 176.870 -0.065 0.000 1.071 431 L CA 1.809 56.562 54.840 -0.144 0.000 0.751 431 L CB -0.324 41.553 42.059 -0.302 0.000 0.889 431 L HN 0.051 nan 8.230 nan 0.000 0.432 432 R N -0.933 119.536 120.500 -0.051 0.000 2.293 432 R HA -0.090 4.251 4.340 0.001 0.000 0.219 432 R C 2.254 178.546 176.300 -0.014 0.000 1.091 432 R CA 0.880 56.967 56.100 -0.022 0.000 1.004 432 R CB -0.285 30.010 30.300 -0.008 0.000 0.865 432 R HN 0.427 nan 8.270 nan 0.000 0.469 433 R N 0.103 120.594 120.500 -0.016 0.000 2.127 433 R HA 0.079 4.420 4.340 0.001 0.000 0.217 433 R C 1.981 178.272 176.300 -0.014 0.000 1.074 433 R CA 0.688 56.781 56.100 -0.010 0.000 0.991 433 R CB 0.072 30.367 30.300 -0.008 0.000 0.895 433 R HN 0.188 nan 8.270 nan 0.000 0.450 434 L N 0.038 121.250 121.223 -0.019 0.000 2.179 434 L HA 0.026 4.367 4.340 0.001 0.000 0.208 434 L C 0.467 177.329 176.870 -0.013 0.000 1.096 434 L CA 0.655 55.485 54.840 -0.016 0.000 0.779 434 L CB 0.392 42.442 42.059 -0.016 0.000 0.922 434 L HN -0.085 nan 8.230 nan 0.000 0.443 435 V N 0.401 120.306 119.914 -0.014 0.000 2.320 435 V HA 0.187 4.308 4.120 0.001 0.000 0.257 435 V C -1.902 174.183 176.094 -0.015 0.000 0.996 435 V CA -0.660 61.632 62.300 -0.013 0.000 0.928 435 V CB 0.881 32.697 31.823 -0.012 0.000 1.169 435 V HN 0.031 nan 8.190 nan 0.000 0.475 436 P HA -0.022 nan 4.420 nan 0.000 0.229 436 P C 0.761 178.055 177.300 -0.011 0.000 1.160 436 P CA 0.715 63.809 63.100 -0.010 0.000 0.777 436 P CB 0.120 31.815 31.700 -0.007 0.000 0.814 437 D N -0.529 119.863 120.400 -0.012 0.000 2.413 437 D HA 0.038 4.679 4.640 0.001 0.000 0.237 437 D C -0.211 176.079 176.300 -0.017 0.000 1.171 437 D CA -0.065 53.927 54.000 -0.013 0.000 0.839 437 D CB -0.501 40.292 40.800 -0.012 0.000 0.950 437 D HN 0.126 nan 8.370 nan 0.000 0.499 438 S N -1.290 114.398 115.700 -0.020 0.000 2.537 438 S HA 0.347 4.818 4.470 0.001 0.000 0.270 438 S C -1.227 173.354 174.600 -0.031 0.000 1.142 438 S CA -1.060 57.123 58.200 -0.029 0.000 0.870 438 S CB 1.985 65.163 63.200 -0.037 0.000 1.112 438 S HN -0.140 nan 8.310 nan 0.000 0.466 439 D N 1.633 122.011 120.400 -0.037 0.000 2.772 439 D HA 0.404 5.044 4.640 0.001 0.000 0.273 439 D C -0.489 175.772 176.300 -0.065 0.000 1.233 439 D CA -0.175 53.804 54.000 -0.036 0.000 0.984 439 D CB 0.365 41.149 40.800 -0.026 0.000 1.000 439 D HN 0.465 nan 8.370 nan 0.000 0.514 440 V N 2.270 122.128 119.914 -0.093 0.000 2.508 440 V HA 0.249 4.369 4.120 0.001 0.000 0.281 440 V C 0.828 176.794 176.094 -0.213 0.000 1.041 440 V CA -0.306 61.876 62.300 -0.198 0.000 1.016 440 V CB 1.030 32.695 31.823 -0.263 0.000 0.984 440 V HN 0.276 nan 8.190 nan 0.000 0.478 441 R N 3.411 123.753 120.500 -0.262 0.000 2.758 441 R HA 0.668 5.009 4.340 0.001 0.000 0.265 441 R C -1.719 174.369 176.300 -0.353 0.000 1.016 441 R CA -0.602 55.414 56.100 -0.140 0.000 1.040 441 R CB 1.498 31.763 30.300 -0.058 0.000 1.152 441 R HN 0.520 nan 8.270 nan 0.000 0.503 442 F N 1.783 121.744 119.950 0.020 0.000 2.561 442 F HA 0.410 4.937 4.527 0.001 0.000 0.313 442 F C -0.813 175.059 175.800 0.120 0.000 1.126 442 F CA -0.870 57.181 58.000 0.085 0.000 0.918 442 F CB 1.958 41.060 39.000 0.169 0.000 1.199 442 F HN 0.263 nan 8.300 nan 0.000 0.444 443 L N 4.904 126.285 121.223 0.263 0.000 2.376 443 L HA 0.638 4.979 4.340 0.001 0.000 0.275 443 L C -1.579 175.407 176.870 0.193 0.000 0.987 443 L CA -0.756 54.200 54.840 0.194 0.000 0.828 443 L CB 1.412 43.540 42.059 0.115 0.000 1.249 443 L HN 0.580 nan 8.230 nan 0.000 0.409 444 L N 3.892 125.238 121.223 0.206 0.000 2.319 444 L HA 0.426 4.767 4.340 0.001 0.000 0.280 444 L C 0.361 177.305 176.870 0.123 0.000 1.099 444 L CA 0.572 55.521 54.840 0.182 0.000 0.828 444 L CB 1.393 43.594 42.059 0.236 0.000 1.150 444 L HN 0.771 nan 8.230 nan 0.000 0.442 445 S N 3.363 119.116 115.700 0.088 0.000 2.498 445 S HA 0.323 4.793 4.470 0.001 0.000 0.314 445 S C 1.209 175.849 174.600 0.066 0.000 1.141 445 S CA 0.278 58.517 58.200 0.066 0.000 1.087 445 S CB 0.331 63.556 63.200 0.042 0.000 1.178 445 S HN 0.878 nan 8.310 nan 0.000 0.533 446 E N 2.944 123.186 120.200 0.070 0.000 2.112 446 E HA -0.079 4.271 4.350 0.001 0.000 0.190 446 E C 2.019 178.647 176.600 0.045 0.000 0.979 446 E CA 1.373 57.811 56.400 0.063 0.000 0.814 446 E CB -0.892 28.847 29.700 0.065 0.000 0.762 446 E HN 0.906 nan 8.360 nan 0.000 0.460 447 S N -1.255 114.468 115.700 0.038 0.000 2.489 447 S HA 0.420 4.890 4.470 0.001 0.000 0.228 447 S C 1.517 176.127 174.600 0.016 0.000 0.995 447 S CA 0.574 58.789 58.200 0.024 0.000 0.934 447 S CB -0.132 63.077 63.200 0.016 0.000 0.771 447 S HN 1.710 nan 8.310 nan 0.000 0.522 448 G N 0.212 109.023 108.800 0.019 0.000 2.655 448 G HA2 -0.128 3.833 3.960 0.001 0.000 0.680 448 G HA3 -0.128 3.833 3.960 0.001 0.000 0.680 448 G C 0.281 175.183 174.900 0.004 0.000 1.302 448 G CA -0.256 44.852 45.100 0.013 0.000 0.872 448 G HN 0.135 nan 8.290 nan 0.000 0.540 449 T N 0.890 115.445 114.554 0.002 0.000 2.857 449 T HA 0.081 4.432 4.350 0.001 0.000 0.266 449 T C 2.744 177.437 174.700 -0.012 0.000 1.048 449 T CA 2.412 64.510 62.100 -0.003 0.000 1.139 449 T CB -0.825 68.044 68.868 0.002 0.000 0.874 449 T HN 1.670 nan 8.240 nan 0.000 0.455 450 G N 2.192 110.986 108.800 -0.010 0.000 2.679 450 G HA2 -0.417 3.543 3.960 0.001 0.000 0.222 450 G HA3 -0.417 3.543 3.960 0.001 0.000 0.222 450 G C 1.424 176.296 174.900 -0.047 0.000 1.164 450 G CA 1.757 46.844 45.100 -0.021 0.000 0.769 450 G HN 0.534 nan 8.290 nan 0.000 0.610 451 K N 0.407 120.770 120.400 -0.061 0.000 2.074 451 K HA -0.069 4.251 4.320 0.001 0.000 0.209 451 K C 2.597 179.114 176.600 -0.137 0.000 1.048 451 K CA 1.830 58.049 56.287 -0.113 0.000 0.926 451 K CB -0.702 31.718 32.500 -0.134 0.000 0.713 451 K HN 0.279 nan 8.250 nan 0.000 0.444 452 G N -0.088 108.659 108.800 -0.088 0.000 2.421 452 G HA2 -0.165 3.796 3.960 0.001 0.000 0.217 452 G HA3 -0.165 3.796 3.960 0.001 0.000 0.217 452 G C 1.548 176.401 174.900 -0.079 0.000 1.143 452 G CA 0.670 45.729 45.100 -0.068 0.000 0.784 452 G HN 0.440 nan 8.290 nan 0.000 0.541 453 A N 1.094 123.873 122.820 -0.069 0.000 1.969 453 A HA 0.348 4.668 4.320 0.001 0.000 0.218 453 A C 2.747 180.243 177.584 -0.147 0.000 1.169 453 A CA 1.986 53.985 52.037 -0.063 0.000 0.635 453 A CB -0.574 18.419 19.000 -0.011 0.000 0.810 453 A HN 0.647 nan 8.150 nan 0.000 0.445 454 A N -0.811 121.887 122.820 -0.204 0.000 1.898 454 A HA -0.075 4.246 4.320 0.001 0.000 0.216 454 A C 2.091 179.342 177.584 -0.555 0.000 1.181 454 A CA 1.806 53.578 52.037 -0.443 0.000 0.620 454 A CB -0.464 18.361 19.000 -0.292 0.000 0.819 454 A HN 0.390 nan 8.150 nan 0.000 0.442 455 M N -0.326 119.096 119.600 -0.297 0.000 2.202 455 M HA -0.102 4.379 4.480 0.001 0.000 0.262 455 M C 2.082 178.287 176.300 -0.159 0.000 1.063 455 M CA 1.205 56.390 55.300 -0.192 0.000 1.097 455 M CB -1.269 31.287 32.600 -0.073 0.000 1.382 455 M HN 0.247 nan 8.290 nan 0.000 0.413 456 V N -0.599 119.227 119.914 -0.147 0.000 2.446 456 V HA -0.153 3.968 4.120 0.001 0.000 0.244 456 V C 2.252 178.283 176.094 -0.105 0.000 1.039 456 V CA 1.719 63.967 62.300 -0.087 0.000 1.045 456 V CB -0.803 30.992 31.823 -0.047 0.000 0.681 456 V HN 0.416 nan 8.190 nan 0.000 0.459 457 T N 0.584 115.023 114.554 -0.192 0.000 2.833 457 T HA -0.133 4.218 4.350 0.001 0.000 0.269 457 T C 2.031 176.658 174.700 -0.122 0.000 1.054 457 T CA 1.451 63.458 62.100 -0.154 0.000 1.135 457 T CB -0.326 68.415 68.868 -0.212 0.000 0.869 457 T HN 0.540 nan 8.240 nan 0.000 0.466 458 A N 0.883 123.477 122.820 -0.377 0.000 1.877 458 A HA -0.041 4.280 4.320 0.001 0.000 0.216 458 A C 2.571 180.246 177.584 0.152 0.000 1.186 458 A CA 1.339 53.342 52.037 -0.057 0.000 0.620 458 A CB -0.934 17.982 19.000 -0.139 0.000 0.822 458 A HN 0.360 nan 8.150 nan 0.000 0.443 459 V N -0.318 119.624 119.914 0.047 0.000 2.323 459 V HA -0.161 3.959 4.120 0.001 0.000 0.244 459 V C 3.057 179.184 176.094 0.056 0.000 1.041 459 V CA 1.721 64.055 62.300 0.058 0.000 1.025 459 V CB -1.108 30.731 31.823 0.027 0.000 0.656 459 V HN 0.606 nan 8.190 nan 0.000 0.451 460 A N -0.804 122.045 122.820 0.049 0.000 1.940 460 A HA -0.299 4.021 4.320 0.001 0.000 0.219 460 A C 2.161 179.780 177.584 0.058 0.000 1.176 460 A CA 2.275 54.331 52.037 0.032 0.000 0.631 460 A CB -0.770 18.249 19.000 0.033 0.000 0.814 460 A HN 0.651 nan 8.150 nan 0.000 0.446 461 Y N 0.171 120.489 120.300 0.030 0.000 2.163 461 Y HA -0.170 4.381 4.550 0.001 0.000 0.288 461 Y C 2.475 178.401 175.900 0.044 0.000 1.136 461 Y CA 2.047 60.181 58.100 0.057 0.000 1.147 461 Y CB -0.552 37.995 38.460 0.144 0.000 0.987 461 Y HN 0.286 nan 8.280 nan 0.000 0.509 462 R N 0.033 120.478 120.500 -0.092 0.000 2.094 462 R HA -0.200 4.140 4.340 0.001 0.000 0.239 462 R C 2.382 178.585 176.300 -0.162 0.000 1.137 462 R CA 2.321 58.334 56.100 -0.144 0.000 0.943 462 R CB -0.624 29.686 30.300 0.017 0.000 0.850 462 R HN 0.430 nan 8.270 nan 0.000 0.433 463 L N -0.541 120.634 121.223 -0.080 0.000 2.017 463 L HA -0.151 4.190 4.340 0.001 0.000 0.208 463 L C 2.591 179.448 176.870 -0.023 0.000 1.073 463 L CA 1.387 56.220 54.840 -0.012 0.000 0.745 463 L CB -0.782 41.267 42.059 -0.017 0.000 0.894 463 L HN 0.352 nan 8.230 nan 0.000 0.432 464 A N -0.462 122.252 122.820 -0.177 0.000 1.986 464 A HA -0.218 4.103 4.320 0.001 0.000 0.220 464 A C 2.224 179.692 177.584 -0.192 0.000 1.171 464 A CA 1.598 53.516 52.037 -0.198 0.000 0.640 464 A CB -0.344 18.567 19.000 -0.149 0.000 0.811 464 A HN 0.369 nan 8.150 nan 0.000 0.451 465 E N -0.282 119.730 120.200 -0.313 0.000 2.072 465 E HA -0.200 4.151 4.350 0.001 0.000 0.190 465 E C 2.355 178.813 176.600 -0.237 0.000 0.982 465 E CA 1.563 57.778 56.400 -0.309 0.000 0.803 465 E CB -0.362 29.067 29.700 -0.450 0.000 0.755 465 E HN 1.001 nan 8.360 nan 0.000 0.453 466 Q N -0.582 119.058 119.800 -0.268 0.000 2.245 466 Q HA -0.103 4.237 4.340 0.001 0.000 0.201 466 Q C 1.476 177.053 176.000 -0.704 0.000 0.955 466 Q CA 1.272 56.753 55.803 -0.536 0.000 0.870 466 Q CB -0.415 27.985 28.738 -0.564 0.000 0.945 466 Q HN 0.289 nan 8.270 nan 0.000 0.461 467 H N 0.151 118.940 119.070 -0.469 0.000 2.524 467 H HA 0.108 4.665 4.556 0.001 0.000 0.282 467 H C 1.768 176.915 175.328 -0.302 0.000 1.016 467 H CA 1.123 56.938 56.048 -0.390 0.000 1.270 467 H CB 0.179 29.779 29.762 -0.270 0.000 1.394 467 H HN 0.205 nan 8.280 nan 0.000 0.568 468 R N 0.425 120.833 120.500 -0.153 0.000 2.127 468 R HA -0.059 4.282 4.340 0.001 0.000 0.217 468 R C 1.492 177.731 176.300 -0.101 0.000 1.074 468 R CA 0.955 56.992 56.100 -0.105 0.000 0.991 468 R CB 0.265 30.514 30.300 -0.085 0.000 0.895 468 R HN 0.449 nan 8.270 nan 0.000 0.450 469 Q N 0.032 119.740 119.800 -0.154 0.000 2.096 469 Q HA -0.067 4.274 4.340 0.001 0.000 0.197 469 Q C 2.167 178.158 176.000 -0.015 0.000 0.964 469 Q CA 1.135 56.918 55.803 -0.033 0.000 0.838 469 Q CB 0.036 28.817 28.738 0.072 0.000 0.906 469 Q HN 0.336 nan 8.270 nan 0.000 0.444 470 I N 0.979 121.372 120.570 -0.295 0.000 2.208 470 I HA -0.272 3.898 4.170 0.001 0.000 0.245 470 I C 2.353 178.459 176.117 -0.017 0.000 1.097 470 I CA 1.143 62.225 61.300 -0.363 0.000 1.363 470 I CB -0.080 37.476 38.000 -0.741 0.000 1.051 470 I HN 0.187 nan 8.210 nan 0.000 0.413 471 E N 1.051 121.214 120.200 -0.062 0.000 2.268 471 E HA -0.220 4.130 4.350 0.001 0.000 0.195 471 E C 1.878 178.499 176.600 0.035 0.000 0.995 471 E CA 1.205 57.605 56.400 0.000 0.000 0.836 471 E CB -0.037 29.642 29.700 -0.035 0.000 0.763 471 E HN 0.395 nan 8.360 nan 0.000 0.491 472 E N -1.220 119.011 120.200 0.052 0.000 2.208 472 E HA -0.075 4.275 4.350 0.001 0.000 0.193 472 E C 1.418 178.100 176.600 0.136 0.000 0.988 472 E CA 1.271 57.702 56.400 0.053 0.000 0.828 472 E CB 0.189 29.938 29.700 0.082 0.000 0.763 472 E HN 0.236 nan 8.360 nan 0.000 0.478 473 T N 0.780 115.513 114.554 0.299 0.000 2.706 473 T HA -0.029 4.322 4.350 0.001 0.000 0.255 473 T C 1.828 176.844 174.700 0.526 0.000 1.048 473 T CA 0.586 62.999 62.100 0.523 0.000 1.153 473 T CB -0.217 69.071 68.868 0.700 0.000 0.865 473 T HN 0.100 nan 8.240 nan 0.000 0.414 474 L N 1.358 122.819 121.223 0.396 0.000 2.263 474 L HA -0.122 4.218 4.340 0.001 0.000 0.216 474 L C 3.010 180.055 176.870 0.292 0.000 1.111 474 L CA 0.959 56.000 54.840 0.336 0.000 0.773 474 L CB -0.972 41.194 42.059 0.178 0.000 0.906 474 L HN 0.259 nan 8.230 nan 0.000 0.439 475 A N -0.004 122.886 122.820 0.117 0.000 1.986 475 A HA -0.261 4.060 4.320 0.001 0.000 0.220 475 A C 1.904 179.446 177.584 -0.070 0.000 1.171 475 A CA 1.933 53.944 52.037 -0.045 0.000 0.640 475 A CB -0.846 18.038 19.000 -0.194 0.000 0.811 475 A HN 0.524 nan 8.150 nan 0.000 0.451 476 H N -2.516 116.629 119.070 0.125 0.000 2.495 476 H HA 0.043 4.599 4.556 0.001 0.000 0.287 476 H C 0.492 175.676 175.328 -0.239 0.000 1.033 476 H CA 1.168 57.162 56.048 -0.090 0.000 1.307 476 H CB -0.062 29.569 29.762 -0.219 0.000 1.401 476 H HN 0.566 nan 8.280 nan 0.000 0.555 477 F N 0.739 120.766 119.950 0.129 0.000 2.713 477 F HA 0.241 4.768 4.527 0.001 0.000 0.294 477 F C 0.214 176.029 175.800 0.025 0.000 1.152 477 F CA -0.090 57.952 58.000 0.070 0.000 1.385 477 F CB 0.121 39.157 39.000 0.060 0.000 0.981 477 F HN -0.101 nan 8.300 nan 0.000 0.514 478 R N 1.467 122.037 120.500 0.117 0.000 2.352 478 R HA 0.482 4.822 4.340 0.001 0.000 0.304 478 R C -1.031 175.278 176.300 0.015 0.000 1.104 478 R CA -0.412 55.722 56.100 0.058 0.000 0.991 478 R CB 1.250 31.576 30.300 0.043 0.000 1.140 478 R HN 0.184 nan 8.270 nan 0.000 0.540 479 L N 1.870 123.097 121.223 0.007 0.000 2.312 479 L HA 0.407 4.747 4.340 0.001 0.000 0.281 479 L C 1.125 177.991 176.870 -0.008 0.000 1.070 479 L CA -0.330 54.507 54.840 -0.006 0.000 0.805 479 L CB 1.301 43.356 42.059 -0.007 0.000 1.174 479 L HN 0.677 nan 8.230 nan 0.000 0.434 480 S N 1.870 117.564 115.700 -0.009 0.000 2.585 480 S HA 0.101 4.571 4.470 0.001 0.000 0.273 480 S C 1.121 175.718 174.600 -0.006 0.000 1.339 480 S CA -0.284 57.910 58.200 -0.009 0.000 1.028 480 S CB 0.476 63.670 63.200 -0.010 0.000 0.906 480 S HN 0.759 nan 8.310 nan 0.000 0.528 481 K N 0.466 120.862 120.400 -0.006 0.000 2.152 481 K HA -0.146 4.175 4.320 0.001 0.000 0.206 481 K C 2.206 178.806 176.600 0.000 0.000 1.048 481 K CA 1.887 58.172 56.287 -0.002 0.000 0.933 481 K CB -0.213 32.286 32.500 -0.002 0.000 0.721 481 K HN 0.568 nan 8.250 nan 0.000 0.447 482 Q N -0.293 119.506 119.800 -0.002 0.000 2.124 482 Q HA -0.108 4.232 4.340 0.001 0.000 0.202 482 Q C 1.954 177.955 176.000 0.000 0.000 0.977 482 Q CA 2.160 57.962 55.803 -0.001 0.000 0.850 482 Q CB -0.599 28.136 28.738 -0.004 0.000 0.901 482 Q HN 0.683 nan 8.270 nan 0.000 0.429 483 T N 0.890 115.444 114.554 -0.001 0.000 2.857 483 T HA 0.099 4.450 4.350 0.001 0.000 0.266 483 T C 1.712 176.418 174.700 0.011 0.000 1.048 483 T CA 1.158 63.258 62.100 0.000 0.000 1.139 483 T CB -0.197 68.667 68.868 -0.007 0.000 0.874 483 T HN 0.385 nan 8.240 nan 0.000 0.455 484 L N 0.098 121.328 121.223 0.012 0.000 2.275 484 L HA -0.015 4.325 4.340 0.001 0.000 0.215 484 L C 2.428 179.312 176.870 0.023 0.000 1.119 484 L CA 0.738 55.590 54.840 0.022 0.000 0.790 484 L CB -0.414 41.653 42.059 0.013 0.000 0.919 484 L HN 0.279 nan 8.230 nan 0.000 0.443 485 M N -0.642 118.967 119.600 0.014 0.000 2.287 485 M HA -0.088 4.393 4.480 0.001 0.000 0.266 485 M C 2.131 178.438 176.300 0.011 0.000 1.079 485 M CA 1.538 56.844 55.300 0.011 0.000 1.146 485 M CB -0.232 32.372 32.600 0.006 0.000 1.374 485 M HN 0.023 nan 8.290 nan 0.000 0.435 486 E N -0.709 119.499 120.200 0.014 0.000 2.076 486 E HA -0.080 4.270 4.350 0.001 0.000 0.190 486 E C 2.031 178.655 176.600 0.039 0.000 0.979 486 E CA 1.018 57.429 56.400 0.018 0.000 0.807 486 E CB -0.206 29.500 29.700 0.011 0.000 0.761 486 E HN 0.282 nan 8.360 nan 0.000 0.454 487 V N 2.010 121.956 119.914 0.053 0.000 2.392 487 V HA -0.279 3.841 4.120 0.001 0.000 0.249 487 V C 2.620 178.774 176.094 0.099 0.000 1.059 487 V CA 2.118 64.485 62.300 0.113 0.000 1.051 487 V CB -0.456 31.434 31.823 0.111 0.000 0.658 487 V HN 0.255 nan 8.190 nan 0.000 0.455 488 K N 0.817 121.236 120.400 0.032 0.000 2.002 488 K HA -0.235 4.085 4.320 0.001 0.000 0.209 488 K C 2.348 178.914 176.600 -0.056 0.000 1.048 488 K CA 2.233 58.505 56.287 -0.024 0.000 0.930 488 K CB -0.335 32.160 32.500 -0.010 0.000 0.714 488 K HN 0.411 nan 8.250 nan 0.000 0.438 489 K N 1.474 121.860 120.400 -0.022 0.000 2.209 489 K HA -0.139 4.182 4.320 0.001 0.000 0.204 489 K C 2.081 178.665 176.600 -0.026 0.000 1.048 489 K CA 1.739 58.010 56.287 -0.027 0.000 0.940 489 K CB -0.548 31.947 32.500 -0.008 0.000 0.729 489 K HN 0.380 nan 8.250 nan 0.000 0.451 490 R N -0.831 119.681 120.500 0.020 0.000 2.090 490 R HA 0.075 4.415 4.340 0.001 0.000 0.228 490 R C 2.374 178.623 176.300 -0.084 0.000 1.110 490 R CA 1.067 57.220 56.100 0.087 0.000 0.973 490 R CB -0.402 30.063 30.300 0.275 0.000 0.869 490 R HN 0.348 nan 8.270 nan 0.000 0.440 491 L N 1.157 122.139 121.223 -0.403 0.000 2.017 491 L HA -0.140 4.200 4.340 0.001 0.000 0.208 491 L C 2.380 178.997 176.870 -0.422 0.000 1.073 491 L CA 1.750 56.047 54.840 -0.906 0.000 0.745 491 L CB -0.442 41.038 42.059 -0.966 0.000 0.894 491 L HN -0.067 nan 8.230 nan 0.000 0.432 492 R N -0.776 119.574 120.500 -0.250 0.000 2.117 492 R HA -0.172 4.169 4.340 0.001 0.000 0.243 492 R C 2.020 178.255 176.300 -0.109 0.000 1.143 492 R CA 2.415 58.424 56.100 -0.153 0.000 0.968 492 R CB -1.197 29.039 30.300 -0.108 0.000 0.863 492 R HN 0.441 nan 8.270 nan 0.000 0.444 493 T N 1.025 115.524 114.554 -0.092 0.000 2.708 493 T HA -0.074 4.277 4.350 0.001 0.000 0.266 493 T C 1.393 176.062 174.700 -0.050 0.000 1.037 493 T CA 1.392 63.462 62.100 -0.049 0.000 1.146 493 T CB -0.208 68.648 68.868 -0.020 0.000 0.865 493 T HN 0.279 nan 8.240 nan 0.000 0.435 494 E N 0.956 121.106 120.200 -0.083 0.000 2.118 494 E HA -0.055 4.295 4.350 0.001 0.000 0.195 494 E C 2.157 178.723 176.600 -0.057 0.000 0.992 494 E CA 0.961 57.323 56.400 -0.064 0.000 0.804 494 E CB -0.347 29.291 29.700 -0.103 0.000 0.741 494 E HN 0.545 nan 8.360 nan 0.000 0.458 495 M N 0.174 119.722 119.600 -0.087 0.000 2.159 495 M HA -0.189 4.292 4.480 0.001 0.000 0.263 495 M C 2.090 178.388 176.300 -0.004 0.000 1.063 495 M CA 1.355 56.635 55.300 -0.033 0.000 1.110 495 M CB -0.127 32.447 32.600 -0.044 0.000 1.374 495 M HN -0.066 nan 8.290 nan 0.000 0.411 496 E N 0.153 120.344 120.200 -0.016 0.000 2.072 496 E HA -0.103 4.247 4.350 0.001 0.000 0.191 496 E C 1.883 178.483 176.600 0.000 0.000 0.985 496 E CA 1.212 57.609 56.400 -0.005 0.000 0.801 496 E CB -0.054 29.639 29.700 -0.011 0.000 0.750 496 E HN 0.413 nan 8.360 nan 0.000 0.452 497 M N -1.082 118.518 119.600 -0.000 0.000 2.279 497 M HA -0.055 4.425 4.480 0.001 0.000 0.264 497 M C 1.860 178.168 176.300 0.013 0.000 1.062 497 M CA 1.403 56.708 55.300 0.009 0.000 1.099 497 M CB 0.039 32.647 32.600 0.014 0.000 1.394 497 M HN 0.212 nan 8.290 nan 0.000 0.426 498 G N -0.863 107.945 108.800 0.013 0.000 2.796 498 G HA2 0.076 4.036 3.960 0.001 0.000 0.210 498 G HA3 0.076 4.036 3.960 0.001 0.000 0.210 498 G C 1.332 176.234 174.900 0.003 0.000 1.146 498 G CA -0.125 44.984 45.100 0.015 0.000 0.779 498 G HN 0.305 nan 8.290 nan 0.000 0.535 499 L N 0.282 121.505 121.223 0.001 0.000 2.446 499 L HA 0.268 4.608 4.340 0.001 0.000 0.219 499 L C 1.990 178.855 176.870 -0.009 0.000 1.116 499 L CA 0.058 54.891 54.840 -0.011 0.000 0.844 499 L CB -0.021 42.038 42.059 -0.002 0.000 0.970 499 L HN 0.216 nan 8.230 nan 0.000 0.457 500 R N 0.548 121.048 120.500 -0.000 0.000 2.312 500 R HA 0.542 4.882 4.340 0.001 0.000 0.311 500 R C 1.098 177.402 176.300 0.007 0.000 1.004 500 R CA 0.384 56.485 56.100 0.002 0.000 0.902 500 R CB 0.118 30.420 30.300 0.004 0.000 1.073 500 R HN 0.141 nan 8.270 nan 0.000 0.457 501 K N 1.522 121.926 120.400 0.007 0.000 2.005 501 K HA -0.277 4.044 4.320 0.001 0.000 0.229 501 K C 1.747 178.357 176.600 0.016 0.000 1.050 501 K CA 2.374 58.668 56.287 0.012 0.000 0.994 501 K CB -0.878 31.628 32.500 0.011 0.000 0.736 501 K HN 0.868 nan 8.250 nan 0.000 0.448 502 E N 0.378 120.586 120.200 0.013 0.000 2.058 502 E HA -0.134 4.217 4.350 0.001 0.000 0.194 502 E C 2.315 178.924 176.600 0.016 0.000 0.997 502 E CA 2.181 58.590 56.400 0.014 0.000 0.801 502 E CB -1.073 28.634 29.700 0.011 0.000 0.746 502 E HN 0.842 nan 8.360 nan 0.000 0.450 503 T N 0.687 115.249 114.554 0.015 0.000 2.995 503 T HA -0.107 4.243 4.350 0.001 0.000 0.269 503 T C 1.623 176.336 174.700 0.022 0.000 1.091 503 T CA 0.984 63.094 62.100 0.017 0.000 1.128 503 T CB -0.261 68.615 68.868 0.014 0.000 0.891 503 T HN 0.150 nan 8.240 nan 0.000 0.492 504 N N 2.509 121.222 118.700 0.023 0.000 2.021 504 N HA -0.263 4.478 4.740 0.001 0.000 0.198 504 N C 2.323 177.856 175.510 0.037 0.000 1.041 504 N CA 2.324 55.391 53.050 0.029 0.000 0.862 504 N CB -0.715 37.789 38.487 0.029 0.000 1.048 504 N HN 0.567 nan 8.380 nan 0.000 0.427 505 S N 0.335 116.057 115.700 0.038 0.000 2.440 505 S HA -0.152 4.319 4.470 0.001 0.000 0.240 505 S C 2.121 176.744 174.600 0.037 0.000 1.014 505 S CA 2.393 60.617 58.200 0.040 0.000 0.980 505 S CB -0.561 62.659 63.200 0.033 0.000 0.775 505 S HN 0.707 nan 8.310 nan 0.000 0.499 506 K N 0.146 120.566 120.400 0.034 0.000 2.308 506 K HA 0.762 5.083 4.320 0.001 0.000 0.197 506 K C 1.091 177.715 176.600 0.039 0.000 1.049 506 K CA 0.687 56.994 56.287 0.033 0.000 0.991 506 K CB -1.000 31.516 32.500 0.027 0.000 0.836 506 K HN 0.912 nan 8.250 nan 0.000 0.500 507 A N 2.341 125.185 122.820 0.040 0.000 2.545 507 A HA 0.299 4.620 4.320 0.001 0.000 0.253 507 A C 1.546 179.166 177.584 0.060 0.000 1.074 507 A CA 0.568 52.632 52.037 0.046 0.000 0.760 507 A CB -0.392 18.631 19.000 0.038 0.000 1.005 507 A HN 0.622 nan 8.150 nan 0.000 0.506 508 T N 0.625 115.223 114.554 0.074 0.000 2.942 508 T HA 0.020 4.370 4.350 0.001 0.000 0.265 508 T C 0.600 175.366 174.700 0.110 0.000 1.062 508 T CA 0.889 63.044 62.100 0.092 0.000 1.139 508 T CB -0.211 68.717 68.868 0.100 0.000 0.883 508 T HN 0.270 nan 8.240 nan 0.000 0.468 509 V N 3.532 123.508 119.914 0.103 0.000 2.322 509 V HA 0.220 4.341 4.120 0.001 0.000 0.258 509 V C 0.140 176.275 176.094 0.069 0.000 1.074 509 V CA -0.870 61.489 62.300 0.099 0.000 0.909 509 V CB 0.162 32.014 31.823 0.049 0.000 1.090 509 V HN 0.360 nan 8.190 nan 0.000 0.486 510 K N 5.745 126.189 120.400 0.073 0.000 2.298 510 K HA 0.431 4.752 4.320 0.001 0.000 0.280 510 K C -0.362 176.257 176.600 0.032 0.000 1.032 510 K CA -0.339 55.978 56.287 0.051 0.000 0.958 510 K CB 1.060 33.595 32.500 0.059 0.000 0.978 510 K HN 0.393 nan 8.250 nan 0.000 0.472 511 M N 4.499 124.103 119.600 0.007 0.000 2.480 511 M HA 0.240 4.720 4.480 0.001 0.000 0.320 511 M C -0.363 175.897 176.300 -0.067 0.000 1.141 511 M CA -0.483 54.806 55.300 -0.019 0.000 1.102 511 M CB -0.288 32.306 32.600 -0.011 0.000 1.249 511 M HN 0.361 nan 8.290 nan 0.000 0.446 512 L N 4.721 125.902 121.223 -0.069 0.000 2.462 512 L HA 0.142 4.482 4.340 0.001 0.000 0.272 512 L C -1.935 174.834 176.870 -0.168 0.000 1.166 512 L CA -1.447 53.331 54.840 -0.103 0.000 0.880 512 L CB -0.051 41.969 42.059 -0.066 0.000 1.142 512 L HN 0.200 nan 8.230 nan 0.000 0.473 513 P HA 0.088 nan 4.420 nan 0.000 0.281 513 P C -0.794 176.312 177.300 -0.323 0.000 1.286 513 P CA -0.360 62.517 63.100 -0.371 0.000 0.772 513 P CB 1.018 32.421 31.700 -0.495 0.000 0.862 514 S N 2.701 118.231 115.700 -0.283 0.000 2.462 514 S HA 0.416 4.887 4.470 0.001 0.000 0.294 514 S C 0.027 174.517 174.600 -0.184 0.000 1.144 514 S CA -0.599 57.535 58.200 -0.110 0.000 1.088 514 S CB 0.108 63.252 63.200 -0.093 0.000 1.009 514 S HN 0.120 nan 8.310 nan 0.000 0.484 515 F N 2.548 122.465 119.950 -0.056 0.000 2.818 515 F HA 0.234 4.762 4.527 0.001 0.000 0.303 515 F C 0.207 175.980 175.800 -0.044 0.000 1.250 515 F CA -0.382 57.589 58.000 -0.049 0.000 1.409 515 F CB -0.329 38.650 39.000 -0.034 0.000 1.183 515 F HN 0.360 nan 8.300 nan 0.000 0.534 516 V N 1.313 121.232 119.914 0.008 0.000 2.348 516 V HA 0.230 4.350 4.120 0.001 0.000 0.270 516 V C 1.035 177.099 176.094 -0.051 0.000 1.037 516 V CA -0.400 61.895 62.300 -0.008 0.000 0.872 516 V CB 1.231 33.036 31.823 -0.031 0.000 1.002 516 V HN 0.372 nan 8.190 nan 0.000 0.464 517 R N 2.320 122.806 120.500 -0.023 0.000 2.334 517 R HA 0.336 4.677 4.340 0.001 0.000 0.216 517 R C 0.456 176.734 176.300 -0.037 0.000 0.905 517 R CA 0.143 56.219 56.100 -0.040 0.000 1.064 517 R CB 0.761 31.054 30.300 -0.011 0.000 1.046 517 R HN 0.618 nan 8.270 nan 0.000 0.508 518 S N 0.030 115.712 115.700 -0.030 0.000 2.578 518 S HA 0.318 4.789 4.470 0.001 0.000 0.272 518 S C -1.071 173.517 174.600 -0.020 0.000 1.145 518 S CA -1.006 57.179 58.200 -0.026 0.000 0.835 518 S CB 0.881 64.073 63.200 -0.015 0.000 1.104 518 S HN 0.262 nan 8.310 nan 0.000 0.458 519 I N 0.702 121.261 120.570 -0.019 0.000 2.662 519 I HA 0.554 4.725 4.170 0.001 0.000 0.291 519 I C -2.466 173.652 176.117 0.002 0.000 1.046 519 I CA -2.167 59.127 61.300 -0.009 0.000 1.361 519 I CB 0.016 38.008 38.000 -0.014 0.000 1.429 519 I HN 0.353 nan 8.210 nan 0.000 0.558 520 P HA -0.110 nan 4.420 nan 0.000 0.257 520 P C -0.678 176.624 177.300 0.002 0.000 1.153 520 P CA 0.631 63.758 63.100 0.045 0.000 0.762 520 P CB 0.185 31.965 31.700 0.134 0.000 0.743 521 D N 2.366 122.772 120.400 0.009 0.000 2.336 521 D HA 0.122 4.762 4.640 0.001 0.000 0.228 521 D C 1.364 177.658 176.300 -0.010 0.000 1.120 521 D CA 0.111 54.108 54.000 -0.005 0.000 0.839 521 D CB -0.764 40.039 40.800 0.005 0.000 0.932 521 D HN 0.467 nan 8.370 nan 0.000 0.509 522 G N 0.536 109.325 108.800 -0.019 0.000 2.212 522 G HA2 -0.357 3.604 3.960 0.001 0.000 0.267 522 G HA3 -0.357 3.604 3.960 0.001 0.000 0.267 522 G C 0.985 175.902 174.900 0.029 0.000 1.002 522 G CA 1.177 46.261 45.100 -0.027 0.000 0.729 522 G HN 0.717 nan 8.290 nan 0.000 0.517 523 T N -3.020 111.566 114.554 0.053 0.000 3.040 523 T HA 0.468 4.819 4.350 0.001 0.000 0.266 523 T C 0.535 175.306 174.700 0.119 0.000 1.005 523 T CA 0.519 62.661 62.100 0.071 0.000 0.906 523 T CB 0.774 69.668 68.868 0.044 0.000 1.082 523 T HN 0.293 nan 8.240 nan 0.000 0.531 524 E N 2.260 122.544 120.200 0.139 0.000 2.415 524 E HA 0.394 4.745 4.350 0.001 0.000 0.262 524 E C -0.172 176.600 176.600 0.287 0.000 1.038 524 E CA 0.187 56.697 56.400 0.182 0.000 0.921 524 E CB 0.259 30.041 29.700 0.136 0.000 0.950 524 E HN 0.455 nan 8.360 nan 0.000 0.438 525 H N 0.221 119.424 119.070 0.223 0.000 3.094 525 H HA 0.533 5.089 4.556 0.001 0.000 0.335 525 H C -0.255 175.247 175.328 0.289 0.000 1.254 525 H CA 0.253 56.433 56.048 0.220 0.000 1.240 525 H CB 1.132 30.971 29.762 0.129 0.000 1.936 525 H HN 0.646 nan 8.280 nan 0.000 0.536 526 G N 2.679 111.411 108.800 -0.112 0.000 2.334 526 G HA2 0.067 4.028 3.960 0.001 0.000 0.315 526 G HA3 0.067 4.028 3.960 0.001 0.000 0.315 526 G C -2.024 172.647 174.900 -0.381 0.000 1.284 526 G CA -0.682 44.267 45.100 -0.253 0.000 0.985 526 G HN 0.511 nan 8.290 nan 0.000 0.504 527 D N 0.220 120.232 120.400 -0.646 0.000 2.481 527 D HA 0.688 5.329 4.640 0.001 0.000 0.246 527 D C -0.815 175.115 176.300 -0.617 0.000 1.109 527 D CA 0.106 53.872 54.000 -0.389 0.000 0.845 527 D CB 1.088 41.760 40.800 -0.213 0.000 1.160 527 D HN 0.305 nan 8.370 nan 0.000 0.534 528 F N 0.788 120.766 119.950 0.045 0.000 2.551 528 F HA 0.481 5.009 4.527 0.001 0.000 0.316 528 F C 0.200 176.049 175.800 0.082 0.000 1.089 528 F CA -1.024 57.012 58.000 0.060 0.000 0.915 528 F CB 1.387 40.419 39.000 0.054 0.000 1.186 528 F HN -0.034 nan 8.300 nan 0.000 0.456 529 L N 2.305 123.679 121.223 0.252 0.000 2.379 529 L HA 0.865 5.206 4.340 0.001 0.000 0.269 529 L C -0.267 176.721 176.870 0.196 0.000 1.084 529 L CA -0.856 54.108 54.840 0.207 0.000 0.802 529 L CB 1.615 43.771 42.059 0.162 0.000 1.175 529 L HN 0.818 nan 8.230 nan 0.000 0.448 530 A N 3.380 126.286 122.820 0.142 0.000 2.488 530 A HA 0.666 4.987 4.320 0.001 0.000 0.295 530 A C -1.214 176.431 177.584 0.101 0.000 1.045 530 A CA -0.513 51.603 52.037 0.131 0.000 0.703 530 A CB 1.228 20.292 19.000 0.107 0.000 1.271 530 A HN 0.567 nan 8.150 nan 0.000 0.400 531 L N 1.426 122.777 121.223 0.213 0.000 2.334 531 L HA 0.596 4.936 4.340 0.001 0.000 0.275 531 L C -0.670 176.404 176.870 0.340 0.000 1.036 531 L CA -0.750 54.276 54.840 0.309 0.000 0.807 531 L CB 1.760 44.136 42.059 0.529 0.000 1.231 531 L HN 0.707 nan 8.230 nan 0.000 0.438 532 D N 2.953 123.544 120.400 0.318 0.000 2.389 532 D HA 0.419 5.060 4.640 0.001 0.000 0.256 532 D C -1.496 175.061 176.300 0.428 0.000 1.239 532 D CA -0.256 53.897 54.000 0.255 0.000 0.925 532 D CB 1.435 42.295 40.800 0.100 0.000 1.145 532 D HN 0.171 nan 8.370 nan 0.000 0.542 533 L N 2.412 123.880 121.223 0.409 0.000 2.342 533 L HA 0.836 5.177 4.340 0.001 0.000 0.271 533 L C 1.171 178.094 176.870 0.088 0.000 1.008 533 L CA 0.515 55.587 54.840 0.385 0.000 0.818 533 L CB 1.972 44.291 42.059 0.433 0.000 1.296 533 L HN 0.551 nan 8.230 nan 0.000 0.427 534 G N 2.019 110.820 108.800 0.001 0.000 2.491 534 G HA2 -0.174 3.787 3.960 0.001 0.000 0.203 534 G HA3 -0.174 3.787 3.960 0.001 0.000 0.203 534 G C 0.513 175.328 174.900 -0.142 0.000 1.052 534 G CA 0.146 45.044 45.100 -0.337 0.000 0.675 534 G HN 1.161 nan 8.290 nan 0.000 0.504 535 G N -0.042 108.738 108.800 -0.034 0.000 2.711 535 G HA2 0.413 4.374 3.960 0.001 0.000 0.186 535 G HA3 0.413 4.374 3.960 0.001 0.000 0.186 535 G C 1.595 176.538 174.900 0.073 0.000 1.635 535 G CA 2.500 47.598 45.100 -0.004 0.000 1.065 535 G HN 1.295 nan 8.290 nan 0.000 0.545 536 T N -2.297 112.289 114.554 0.053 0.000 2.983 536 T HA 0.099 4.450 4.350 0.001 0.000 0.250 536 T C 0.827 175.582 174.700 0.092 0.000 1.037 536 T CA 0.456 62.590 62.100 0.057 0.000 1.142 536 T CB -0.131 68.743 68.868 0.010 0.000 0.876 536 T HN 0.301 nan 8.240 nan 0.000 0.455 537 N N 1.076 119.830 118.700 0.090 0.000 2.424 537 N HA 0.490 5.231 4.740 0.001 0.000 0.271 537 N C -1.683 173.938 175.510 0.186 0.000 0.985 537 N CA -0.795 52.321 53.050 0.110 0.000 0.921 537 N CB 1.224 39.734 38.487 0.039 0.000 1.149 537 N HN 0.283 nan 8.380 nan 0.000 0.492 538 F N 4.170 124.194 119.950 0.123 0.000 2.420 538 F HA 0.402 4.930 4.527 0.001 0.000 0.352 538 F C 0.158 176.040 175.800 0.136 0.000 1.108 538 F CA -0.762 57.333 58.000 0.158 0.000 1.162 538 F CB 0.345 39.480 39.000 0.226 0.000 1.118 538 F HN 0.442 nan 8.300 nan 0.000 0.510 539 R N 4.817 125.000 120.500 -0.529 0.000 2.771 539 R HA 0.822 5.162 4.340 0.001 0.000 0.274 539 R C -2.292 173.595 176.300 -0.688 0.000 0.987 539 R CA -1.093 54.653 56.100 -0.591 0.000 0.908 539 R CB 1.606 31.752 30.300 -0.257 0.000 1.213 539 R HN 0.404 nan 8.270 nan 0.000 0.468 540 V N 2.758 122.258 119.914 -0.691 0.000 2.513 540 V HA 0.523 4.644 4.120 0.001 0.000 0.299 540 V C -0.605 174.929 176.094 -0.933 0.000 1.035 540 V CA -0.805 61.058 62.300 -0.729 0.000 0.889 540 V CB 1.259 32.588 31.823 -0.825 0.000 0.988 540 V HN 0.558 nan 8.190 nan 0.000 0.440 541 L N 4.573 125.496 121.223 -0.500 0.000 2.327 541 L HA 0.736 5.077 4.340 0.001 0.000 0.258 541 L C -0.834 176.145 176.870 0.182 0.000 1.024 541 L CA -0.646 54.080 54.840 -0.189 0.000 0.825 541 L CB 1.894 43.927 42.059 -0.043 0.000 1.386 541 L HN 0.546 nan 8.230 nan 0.000 0.417 542 L N 1.422 122.877 121.223 0.387 0.000 2.404 542 L HA 0.808 5.149 4.340 0.001 0.000 0.272 542 L C -1.453 175.574 176.870 0.261 0.000 0.980 542 L CA -0.296 54.770 54.840 0.377 0.000 0.836 542 L CB 1.849 44.158 42.059 0.417 0.000 1.238 542 L HN 0.316 nan 8.230 nan 0.000 0.408 543 V N 4.430 124.468 119.914 0.207 0.000 2.407 543 V HA 0.472 4.593 4.120 0.001 0.000 0.291 543 V C -0.254 175.945 176.094 0.174 0.000 1.018 543 V CA -0.762 61.629 62.300 0.150 0.000 0.842 543 V CB 1.422 33.318 31.823 0.121 0.000 0.996 543 V HN 0.625 nan 8.190 nan 0.000 0.426 544 K N 5.716 126.173 120.400 0.095 0.000 2.300 544 K HA 0.575 4.895 4.320 0.001 0.000 0.264 544 K C -0.623 175.995 176.600 0.029 0.000 1.083 544 K CA -0.190 56.125 56.287 0.046 0.000 0.958 544 K CB 0.920 33.434 32.500 0.022 0.000 1.318 544 K HN 0.610 nan 8.250 nan 0.000 0.448 545 I N 1.779 122.401 120.570 0.086 0.000 2.532 545 I HA 0.389 4.559 4.170 0.001 0.000 0.292 545 I C 0.089 176.162 176.117 -0.072 0.000 1.014 545 I CA -0.869 60.474 61.300 0.073 0.000 1.340 545 I CB 0.949 39.065 38.000 0.194 0.000 1.422 545 I HN 0.273 nan 8.210 nan 0.000 0.528 546 R N 3.441 123.932 120.500 -0.014 0.000 2.518 546 R HA 0.530 4.870 4.340 0.001 0.000 0.287 546 R C -0.419 175.972 176.300 0.151 0.000 1.135 546 R CA -0.052 56.025 56.100 -0.038 0.000 0.967 546 R CB 1.511 31.782 30.300 -0.048 0.000 1.212 546 R HN 0.903 nan 8.270 nan 0.000 0.422 552 T N 2.414 117.060 114.554 0.154 0.000 3.289 552 T HA 0.338 4.689 4.350 0.001 0.000 0.370 552 T C -1.887 172.858 174.700 0.074 0.000 1.546 552 T CA -0.348 61.818 62.100 0.110 0.000 1.144 552 T CB 1.337 70.242 68.868 0.062 0.000 1.379 552 T HN 0.140 nan 8.240 nan 0.000 0.478 553 V N 4.270 124.198 119.914 0.023 0.000 2.443 553 V HA 0.549 4.670 4.120 0.001 0.000 0.293 553 V C -0.097 175.960 176.094 -0.062 0.000 1.021 553 V CA -0.754 61.516 62.300 -0.050 0.000 0.848 553 V CB 1.623 33.333 31.823 -0.189 0.000 0.998 553 V HN 0.872 nan 8.190 nan 0.000 0.424 554 E N 4.976 125.143 120.200 -0.055 0.000 2.156 554 E HA 0.652 5.003 4.350 0.001 0.000 0.279 554 E C -1.019 175.485 176.600 -0.160 0.000 0.965 554 E CA -0.557 55.782 56.400 -0.102 0.000 0.789 554 E CB 1.485 31.158 29.700 -0.046 0.000 1.098 554 E HN 0.659 nan 8.360 nan 0.000 0.397 555 M N 3.071 122.500 119.600 -0.284 0.000 2.664 555 M HA 0.422 4.903 4.480 0.001 0.000 0.314 555 M C -1.224 174.763 176.300 -0.522 0.000 1.200 555 M CA -0.605 54.542 55.300 -0.254 0.000 0.916 555 M CB 1.814 34.333 32.600 -0.135 0.000 1.717 555 M HN 0.547 nan 8.290 nan 0.000 0.470 556 H N 1.454 120.595 119.070 0.118 0.000 3.085 556 H HA 0.498 5.055 4.556 0.001 0.000 0.356 556 H C -1.692 173.781 175.328 0.241 0.000 1.178 556 H CA -1.003 55.163 56.048 0.197 0.000 1.214 556 H CB 1.735 31.645 29.762 0.247 0.000 1.881 556 H HN 0.798 nan 8.280 nan 0.000 0.538 557 N N 0.707 119.610 118.700 0.338 0.000 2.961 557 N HA 0.377 5.117 4.740 0.001 0.000 0.245 557 N C -1.650 173.922 175.510 0.104 0.000 1.404 557 N CA -0.954 52.144 53.050 0.081 0.000 0.880 557 N CB 2.723 41.176 38.487 -0.056 0.000 1.461 557 N HN 0.449 nan 8.380 nan 0.000 0.510 558 K N 0.798 121.128 120.400 -0.118 0.000 2.553 558 K HA 0.465 4.786 4.320 0.001 0.000 0.250 558 K C -1.368 175.060 176.600 -0.287 0.000 0.953 558 K CA -0.615 55.567 56.287 -0.175 0.000 0.800 558 K CB 1.486 33.873 32.500 -0.189 0.000 1.243 558 K HN 0.653 nan 8.250 nan 0.000 0.435 559 I N 4.168 124.559 120.570 -0.297 0.000 2.529 559 I HA 0.145 4.316 4.170 0.001 0.000 0.284 559 I C -0.780 175.124 176.117 -0.355 0.000 1.082 559 I CA -0.263 60.897 61.300 -0.232 0.000 1.406 559 I CB 0.364 38.282 38.000 -0.137 0.000 1.405 559 I HN 0.496 nan 8.210 nan 0.000 0.548 560 Y N 3.779 123.998 120.300 -0.135 0.000 2.326 560 Y HA 0.235 4.786 4.550 0.001 0.000 0.329 560 Y C 0.395 176.437 175.900 0.237 0.000 0.973 560 Y CA -0.866 57.258 58.100 0.039 0.000 1.162 560 Y CB 1.790 40.284 38.460 0.056 0.000 1.147 560 Y HN 0.537 nan 8.280 nan 0.000 0.456 561 S N 3.593 119.457 115.700 0.273 0.000 2.565 561 S HA 0.630 5.100 4.470 0.001 0.000 0.276 561 S C -0.421 174.346 174.600 0.279 0.000 1.326 561 S CA -0.575 57.761 58.200 0.227 0.000 1.045 561 S CB 0.688 63.947 63.200 0.097 0.000 0.918 561 S HN 0.528 nan 8.310 nan 0.000 0.505 562 I N 2.651 123.309 120.570 0.147 0.000 2.382 562 I HA 0.348 4.519 4.170 0.001 0.000 0.286 562 I C -2.435 173.571 176.117 -0.185 0.000 1.002 562 I CA -2.476 58.777 61.300 -0.078 0.000 1.135 562 I CB 1.432 39.389 38.000 -0.072 0.000 1.288 562 I HN 0.382 nan 8.210 nan 0.000 0.448 563 P HA -0.025 nan 4.420 nan 0.000 0.268 563 P C 0.665 177.823 177.300 -0.237 0.000 1.208 563 P CA -0.352 62.631 63.100 -0.194 0.000 0.777 563 P CB 0.742 32.331 31.700 -0.184 0.000 0.875 564 L N 3.656 124.761 121.223 -0.196 0.000 2.079 564 L HA -0.224 4.116 4.340 0.001 0.000 0.210 564 L C 2.421 179.159 176.870 -0.221 0.000 1.081 564 L CA 2.668 57.375 54.840 -0.221 0.000 0.752 564 L CB -1.680 40.286 42.059 -0.156 0.000 0.896 564 L HN 0.545 nan 8.230 nan 0.000 0.433 565 E N -0.198 119.900 120.200 -0.171 0.000 2.058 565 E HA -0.230 4.120 4.350 0.001 0.000 0.194 565 E C 2.154 178.658 176.600 -0.159 0.000 0.997 565 E CA 2.110 58.425 56.400 -0.141 0.000 0.801 565 E CB -0.982 28.656 29.700 -0.103 0.000 0.746 565 E HN 0.652 nan 8.360 nan 0.000 0.450 566 I N -0.330 120.119 120.570 -0.201 0.000 2.202 566 I HA -0.187 3.983 4.170 0.001 0.000 0.242 566 I C 2.921 178.898 176.117 -0.233 0.000 1.091 566 I CA 1.648 62.826 61.300 -0.202 0.000 1.368 566 I CB -0.135 37.681 38.000 -0.307 0.000 1.058 566 I HN 0.355 nan 8.210 nan 0.000 0.410 567 M N 0.207 119.589 119.600 -0.364 0.000 2.144 567 M HA -0.286 4.194 4.480 0.001 0.000 0.260 567 M C 1.212 177.207 176.300 -0.508 0.000 1.067 567 M CA 1.963 56.903 55.300 -0.599 0.000 1.095 567 M CB 0.015 32.119 32.600 -0.827 0.000 1.365 567 M HN 0.256 nan 8.290 nan 0.000 0.406 568 Q N -0.770 118.828 119.800 -0.336 0.000 2.186 568 Q HA 0.222 4.563 4.340 0.001 0.000 0.241 568 Q C 0.861 176.789 176.000 -0.120 0.000 0.849 568 Q CA -0.163 55.498 55.803 -0.237 0.000 1.053 568 Q CB 0.867 29.484 28.738 -0.202 0.000 1.146 568 Q HN 0.587 nan 8.270 nan 0.000 0.475 569 G N 0.627 109.369 108.800 -0.097 0.000 2.908 569 G HA2 0.115 4.075 3.960 0.001 0.000 0.188 569 G HA3 0.115 4.075 3.960 0.001 0.000 0.188 569 G C 0.286 175.207 174.900 0.035 0.000 1.903 569 G CA 0.301 45.383 45.100 -0.031 0.000 0.883 569 G HN 0.174 nan 8.290 nan 0.000 0.515 570 T N -1.154 113.444 114.554 0.074 0.000 2.926 570 T HA 0.513 4.863 4.350 0.001 0.000 0.289 570 T C 1.354 176.183 174.700 0.215 0.000 1.054 570 T CA 0.208 62.383 62.100 0.125 0.000 1.015 570 T CB 1.629 70.558 68.868 0.102 0.000 1.167 570 T HN 0.375 nan 8.240 nan 0.000 0.526 571 G N 0.148 109.097 108.800 0.248 0.000 2.422 571 G HA2 -0.131 3.830 3.960 0.001 0.000 0.218 571 G HA3 -0.131 3.830 3.960 0.001 0.000 0.218 571 G C 0.924 176.062 174.900 0.396 0.000 1.140 571 G CA 0.509 45.834 45.100 0.376 0.000 0.775 571 G HN 0.620 nan 8.290 nan 0.000 0.545 572 D N 0.802 121.339 120.400 0.230 0.000 2.085 572 D HA -0.042 4.599 4.640 0.001 0.000 0.199 572 D C 2.449 178.863 176.300 0.191 0.000 0.981 572 D CA 0.850 54.962 54.000 0.187 0.000 0.834 572 D CB -0.324 40.542 40.800 0.110 0.000 0.992 572 D HN 0.392 nan 8.370 nan 0.000 0.457 573 E N 0.382 120.667 120.200 0.142 0.000 2.070 573 E HA -0.208 4.143 4.350 0.001 0.000 0.197 573 E C 2.115 178.789 176.600 0.123 0.000 1.004 573 E CA 0.648 57.113 56.400 0.108 0.000 0.805 573 E CB -0.171 29.564 29.700 0.058 0.000 0.744 573 E HN 0.090 nan 8.360 nan 0.000 0.451 574 L N 0.309 121.609 121.223 0.130 0.000 1.989 574 L HA -0.167 4.173 4.340 0.001 0.000 0.211 574 L C 2.044 178.920 176.870 0.009 0.000 1.071 574 L CA 1.795 56.666 54.840 0.052 0.000 0.749 574 L CB -0.615 41.484 42.059 0.066 0.000 0.890 574 L HN 0.016 nan 8.230 nan 0.000 0.431 575 F N -0.182 119.842 119.950 0.123 0.000 2.325 575 F HA -0.110 4.417 4.527 0.001 0.000 0.299 575 F C 2.296 178.129 175.800 0.055 0.000 1.090 575 F CA 1.128 59.177 58.000 0.081 0.000 1.392 575 F CB -0.535 38.501 39.000 0.060 0.000 1.053 575 F HN 0.182 nan 8.300 nan 0.000 0.521 576 D N -1.020 119.508 120.400 0.212 0.000 2.117 576 D HA -0.198 4.443 4.640 0.001 0.000 0.198 576 D C 2.028 178.395 176.300 0.113 0.000 0.982 576 D CA 1.318 55.401 54.000 0.137 0.000 0.828 576 D CB -0.402 40.470 40.800 0.120 0.000 0.967 576 D HN 0.317 nan 8.370 nan 0.000 0.464 577 H N 0.590 119.685 119.070 0.043 0.000 2.387 577 H HA -0.020 4.537 4.556 0.001 0.000 0.299 577 H C 2.142 177.480 175.328 0.018 0.000 1.090 577 H CA 1.322 57.386 56.048 0.025 0.000 1.332 577 H CB -0.260 29.498 29.762 -0.007 0.000 1.386 577 H HN 0.090 nan 8.280 nan 0.000 0.516 578 I N -0.608 119.915 120.570 -0.078 0.000 2.226 578 I HA -0.243 3.928 4.170 0.001 0.000 0.245 578 I C 2.180 178.294 176.117 -0.005 0.000 1.100 578 I CA 1.069 62.303 61.300 -0.110 0.000 1.374 578 I CB -0.255 37.648 38.000 -0.162 0.000 1.057 578 I HN 0.183 nan 8.210 nan 0.000 0.413 579 V N 0.343 120.289 119.914 0.054 0.000 2.427 579 V HA -0.238 3.882 4.120 0.001 0.000 0.248 579 V C 2.509 178.713 176.094 0.184 0.000 1.051 579 V CA 2.048 64.458 62.300 0.183 0.000 1.048 579 V CB -0.538 31.369 31.823 0.141 0.000 0.666 579 V HN 0.382 nan 8.190 nan 0.000 0.456 580 S N -0.956 114.770 115.700 0.044 0.000 2.382 580 S HA -0.214 4.257 4.470 0.001 0.000 0.228 580 S C 2.030 176.571 174.600 -0.098 0.000 1.027 580 S CA 1.709 59.915 58.200 0.010 0.000 0.991 580 S CB -0.528 62.656 63.200 -0.026 0.000 0.823 580 S HN 0.646 nan 8.310 nan 0.000 0.469 581 C N 1.474 120.620 119.300 -0.257 0.000 2.446 581 C HA 0.086 4.547 4.460 0.001 0.000 0.277 581 C C 2.454 177.123 174.990 -0.535 0.000 1.275 581 C CA 0.146 58.799 59.018 -0.607 0.000 1.727 581 C CB -1.331 25.980 27.740 -0.714 0.000 2.010 581 C HN 0.560 nan 8.230 nan 0.000 0.486 582 I N 0.643 121.069 120.570 -0.241 0.000 2.286 582 I HA -0.191 3.980 4.170 0.001 0.000 0.248 582 I C 2.706 178.632 176.117 -0.318 0.000 1.115 582 I CA 1.601 62.790 61.300 -0.185 0.000 1.392 582 I CB -0.655 37.321 38.000 -0.040 0.000 1.065 582 I HN 0.306 nan 8.210 nan 0.000 0.418 583 S N 0.535 116.084 115.700 -0.252 0.000 2.359 583 S HA -0.289 4.181 4.470 0.001 0.000 0.224 583 S C 2.001 176.515 174.600 -0.142 0.000 1.035 583 S CA 2.036 60.084 58.200 -0.254 0.000 1.018 583 S CB -0.380 62.892 63.200 0.120 0.000 0.876 583 S HN 0.471 nan 8.310 nan 0.000 0.448 584 D N -0.649 119.723 120.400 -0.047 0.000 2.117 584 D HA -0.131 4.509 4.640 0.001 0.000 0.197 584 D C 1.828 178.203 176.300 0.125 0.000 0.987 584 D CA 1.029 55.067 54.000 0.063 0.000 0.829 584 D CB -0.278 40.620 40.800 0.162 0.000 0.961 584 D HN 0.470 nan 8.370 nan 0.000 0.460 585 F N 1.280 121.197 119.950 -0.055 0.000 2.171 585 F HA -0.090 4.437 4.527 0.001 0.000 0.300 585 F C 2.287 178.098 175.800 0.019 0.000 1.090 585 F CA 0.834 58.861 58.000 0.044 0.000 1.293 585 F CB -0.415 38.560 39.000 -0.041 0.000 1.013 585 F HN -0.067 nan 8.300 nan 0.000 0.486 586 L N -0.298 120.821 121.223 -0.174 0.000 2.083 586 L HA -0.238 4.103 4.340 0.001 0.000 0.209 586 L C 2.191 178.934 176.870 -0.213 0.000 1.083 586 L CA 1.453 56.139 54.840 -0.258 0.000 0.752 586 L CB -0.738 41.124 42.059 -0.328 0.000 0.899 586 L HN 0.051 nan 8.230 nan 0.000 0.433 587 D N -1.014 119.309 120.400 -0.128 0.000 2.084 587 D HA -0.235 4.405 4.640 0.001 0.000 0.196 587 D C 1.954 178.210 176.300 -0.073 0.000 0.985 587 D CA 1.249 55.206 54.000 -0.071 0.000 0.826 587 D CB -0.368 40.430 40.800 -0.003 0.000 0.978 587 D HN 0.253 nan 8.370 nan 0.000 0.456 588 Y N 0.793 120.974 120.300 -0.197 0.000 2.241 588 Y HA -0.203 4.348 4.550 0.001 0.000 0.286 588 Y C 2.115 177.814 175.900 -0.336 0.000 1.166 588 Y CA 1.391 59.361 58.100 -0.215 0.000 1.203 588 Y CB -0.029 38.341 38.460 -0.150 0.000 0.977 588 Y HN -0.119 nan 8.280 nan 0.000 0.529 589 M N -1.490 117.837 119.600 -0.455 0.000 2.435 589 M HA 0.208 4.689 4.480 0.001 0.000 0.265 589 M C 1.843 177.935 176.300 -0.346 0.000 1.104 589 M CA 1.215 56.202 55.300 -0.521 0.000 1.140 589 M CB -0.897 31.324 32.600 -0.632 0.000 1.372 589 M HN 0.431 nan 8.290 nan 0.000 0.456 590 G N 0.479 109.124 108.800 -0.259 0.000 2.141 590 G HA2 -0.190 3.770 3.960 0.001 0.000 0.242 590 G HA3 -0.190 3.770 3.960 0.001 0.000 0.242 590 G C 0.689 175.499 174.900 -0.151 0.000 0.982 590 G CA 0.130 45.122 45.100 -0.180 0.000 0.662 590 G HN 0.383 nan 8.290 nan 0.000 0.527 591 I N 0.070 120.537 120.570 -0.172 0.000 3.603 591 I HA 0.137 4.307 4.170 0.001 0.000 0.297 591 I C 1.531 177.585 176.117 -0.105 0.000 1.269 591 I CA 0.319 61.540 61.300 -0.132 0.000 1.361 591 I CB -0.338 37.576 38.000 -0.145 0.000 1.063 591 I HN 0.285 nan 8.210 nan 0.000 0.448 592 K N 2.406 122.736 120.400 -0.117 0.000 2.504 592 K HA 0.161 4.482 4.320 0.001 0.000 0.278 592 K C 0.844 177.423 176.600 -0.034 0.000 1.025 592 K CA 1.370 57.605 56.287 -0.087 0.000 1.093 592 K CB 0.051 32.506 32.500 -0.075 0.000 0.873 592 K HN 0.430 nan 8.250 nan 0.000 0.483 593 G N 3.840 112.643 108.800 0.006 0.000 1.929 593 G HA2 -0.162 3.798 3.960 0.001 0.000 0.219 593 G HA3 -0.162 3.798 3.960 0.001 0.000 0.219 593 G C -2.125 172.797 174.900 0.037 0.000 2.200 593 G CA -0.343 44.774 45.100 0.029 0.000 1.552 593 G HN 0.755 nan 8.290 nan 0.000 0.498 594 P HA 0.456 nan 4.420 nan 0.000 0.261 594 P C 0.161 177.481 177.300 0.034 0.000 1.173 594 P CA 1.057 64.165 63.100 0.014 0.000 0.760 594 P CB 0.007 31.703 31.700 -0.007 0.000 0.783 595 R N 3.815 124.340 120.500 0.042 0.000 2.421 595 R HA 0.336 4.676 4.340 0.001 0.000 0.305 595 R C 0.483 176.809 176.300 0.042 0.000 1.039 595 R CA 0.112 56.248 56.100 0.060 0.000 1.003 595 R CB -0.447 29.881 30.300 0.048 0.000 0.959 595 R HN 0.576 nan 8.270 nan 0.000 0.427 596 M N 3.377 123.011 119.600 0.058 0.000 2.578 596 M HA 0.408 4.888 4.480 0.001 0.000 0.321 596 M C -2.277 174.066 176.300 0.072 0.000 1.182 596 M CA -2.049 53.275 55.300 0.039 0.000 0.965 596 M CB 2.785 35.405 32.600 0.033 0.000 1.694 596 M HN 0.314 nan 8.290 nan 0.000 0.461 597 P HA 0.270 nan 4.420 nan 0.000 0.280 597 P C -1.341 176.091 177.300 0.220 0.000 1.300 597 P CA -0.226 62.968 63.100 0.157 0.000 0.785 597 P CB 0.270 32.094 31.700 0.206 0.000 0.874 598 L N 2.995 124.327 121.223 0.182 0.000 2.331 598 L HA 0.863 5.204 4.340 0.001 0.000 0.275 598 L C 0.012 176.995 176.870 0.187 0.000 1.022 598 L CA -0.520 54.428 54.840 0.181 0.000 0.812 598 L CB 1.496 43.633 42.059 0.130 0.000 1.257 598 L HN 0.425 nan 8.230 nan 0.000 0.435 599 G N 3.298 112.214 108.800 0.193 0.000 2.671 599 G HA2 0.317 4.277 3.960 0.001 0.000 0.318 599 G HA3 0.317 4.277 3.960 0.001 0.000 0.318 599 G C -1.153 173.915 174.900 0.280 0.000 1.250 599 G CA -0.326 44.886 45.100 0.186 0.000 1.028 599 G HN 0.420 nan 8.290 nan 0.000 0.501 600 F N 3.480 123.499 119.950 0.115 0.000 2.462 600 F HA 0.356 4.883 4.527 0.001 0.000 0.360 600 F C 0.561 176.463 175.800 0.169 0.000 1.134 600 F CA -0.798 57.292 58.000 0.149 0.000 1.148 600 F CB 0.779 39.861 39.000 0.137 0.000 1.147 600 F HN 0.187 nan 8.300 nan 0.000 0.550 601 T N 8.267 123.008 114.554 0.312 0.000 2.875 601 T HA 0.142 4.493 4.350 0.001 0.000 0.307 601 T C -0.634 174.071 174.700 0.008 0.000 1.013 601 T CA -0.058 62.105 62.100 0.105 0.000 0.970 601 T CB -0.625 68.304 68.868 0.101 0.000 0.986 601 T HN 0.335 nan 8.240 nan 0.000 0.536 602 F N 3.383 123.106 119.950 -0.378 0.000 2.308 602 F HA 0.362 4.890 4.527 0.001 0.000 0.370 602 F C 0.432 176.116 175.800 -0.195 0.000 1.100 602 F CA -1.469 56.284 58.000 -0.413 0.000 1.108 602 F CB 0.752 39.339 39.000 -0.689 0.000 1.293 602 F HN 0.283 nan 8.300 nan 0.000 0.478 603 S N 7.134 122.532 115.700 -0.504 0.000 4.175 603 S HA 0.335 4.806 4.470 0.001 0.000 0.193 603 S C -0.818 172.997 174.600 -1.308 0.000 1.373 603 S CA 0.124 57.889 58.200 -0.726 0.000 0.908 603 S CB -1.040 61.768 63.200 -0.652 0.000 1.547 603 S HN 0.441 nan 8.310 nan 0.000 0.440 604 F N 0.256 119.854 119.950 -0.587 0.000 2.686 604 F HA 0.417 4.945 4.527 0.001 0.000 0.311 604 F C -2.799 172.868 175.800 -0.221 0.000 1.128 604 F CA -2.572 55.145 58.000 -0.472 0.000 0.946 604 F CB 0.879 39.387 39.000 -0.821 0.000 1.336 604 F HN -0.078 nan 8.300 nan 0.000 0.457 605 P HA 0.245 nan 4.420 nan 0.000 0.270 605 P C -1.186 176.187 177.300 0.122 0.000 1.242 605 P CA 0.058 63.211 63.100 0.088 0.000 0.768 605 P CB 0.253 32.016 31.700 0.106 0.000 0.820 606 C N 3.473 122.847 119.300 0.124 0.000 2.547 606 C HA 0.333 4.794 4.460 0.001 0.000 0.313 606 C C -0.116 174.958 174.990 0.139 0.000 1.191 606 C CA -0.545 58.569 59.018 0.160 0.000 1.474 606 C CB 0.965 28.833 27.740 0.214 0.000 2.081 606 C HN 0.585 nan 8.230 nan 0.000 0.476 607 H N 3.471 122.583 119.070 0.069 0.000 2.723 607 H HA 0.324 4.880 4.556 0.001 0.000 0.294 607 H C -0.484 174.893 175.328 0.082 0.000 1.079 607 H CA 0.617 56.706 56.048 0.068 0.000 1.411 607 H CB 0.653 30.444 29.762 0.049 0.000 1.439 607 H HN 0.708 nan 8.280 nan 0.000 0.474 608 Q N 2.326 122.112 119.800 -0.023 0.000 2.351 608 Q HA 0.257 4.598 4.340 0.001 0.000 0.273 608 Q C 0.421 176.493 176.000 0.119 0.000 1.077 608 Q CA -0.819 55.045 55.803 0.102 0.000 0.843 608 Q CB 2.143 30.987 28.738 0.177 0.000 1.367 608 Q HN 0.755 nan 8.270 nan 0.000 0.449 609 T N -3.156 111.416 114.554 0.029 0.000 3.087 609 T HA 0.248 4.599 4.350 0.001 0.000 0.283 609 T C -0.034 174.225 174.700 -0.735 0.000 0.956 609 T CA -0.179 61.863 62.100 -0.097 0.000 0.894 609 T CB 0.232 69.096 68.868 -0.006 0.000 1.160 609 T HN 0.492 nan 8.240 nan 0.000 0.532 610 N N -0.592 117.662 118.700 -0.744 0.000 3.545 610 N HA 0.319 5.059 4.740 0.001 0.000 0.227 610 N C 0.206 175.544 175.510 -0.287 0.000 1.380 610 N CA -0.707 51.833 53.050 -0.850 0.000 0.892 610 N CB 0.323 38.531 38.487 -0.464 0.000 1.441 610 N HN -0.028 nan 8.380 nan 0.000 0.497 611 L N 0.464 121.606 121.223 -0.136 0.000 1.990 611 L HA -0.213 4.127 4.340 0.001 0.000 0.213 611 L C 0.919 177.805 176.870 0.027 0.000 1.072 611 L CA 2.483 57.338 54.840 0.025 0.000 0.755 611 L CB -0.563 41.520 42.059 0.040 0.000 0.889 611 L HN 0.749 nan 8.230 nan 0.000 0.432 612 D N -1.359 119.038 120.400 -0.005 0.000 2.392 612 D HA -0.067 4.573 4.640 0.001 0.000 0.228 612 D C 0.644 176.957 176.300 0.021 0.000 1.003 612 D CA 0.307 54.319 54.000 0.020 0.000 0.917 612 D CB -0.480 40.324 40.800 0.007 0.000 0.890 612 D HN 0.405 nan 8.370 nan 0.000 0.532 613 C N -1.954 117.352 119.300 0.009 0.000 2.913 613 C HA 0.965 5.425 4.460 0.001 0.000 0.322 613 C C 0.101 175.124 174.990 0.056 0.000 1.292 613 C CA -0.334 58.698 59.018 0.023 0.000 1.649 613 C CB 1.419 29.160 27.740 0.001 0.000 2.139 613 C HN 0.297 nan 8.230 nan 0.000 0.475 614 G N 1.708 110.545 108.800 0.062 0.000 2.287 614 G HA2 0.426 4.387 3.960 0.001 0.000 0.303 614 G HA3 0.426 4.387 3.960 0.001 0.000 0.303 614 G C -1.156 173.787 174.900 0.071 0.000 2.212 614 G CA -0.447 44.706 45.100 0.089 0.000 0.928 614 G HN 0.914 nan 8.290 nan 0.000 0.440 615 I N 2.553 123.184 120.570 0.102 0.000 2.396 615 I HA 0.151 4.322 4.170 0.001 0.000 0.289 615 I C 0.558 176.720 176.117 0.076 0.000 1.056 615 I CA -0.717 60.624 61.300 0.068 0.000 1.365 615 I CB 1.497 39.536 38.000 0.065 0.000 1.407 615 I HN 0.381 nan 8.210 nan 0.000 0.509 616 L N 8.629 129.859 121.223 0.012 0.000 2.597 616 L HA 0.065 4.406 4.340 0.001 0.000 0.271 616 L C 0.894 177.737 176.870 -0.045 0.000 1.157 616 L CA 0.781 55.618 54.840 -0.004 0.000 0.928 616 L CB 0.002 41.929 42.059 -0.220 0.000 1.216 616 L HN 0.531 nan 8.230 nan 0.000 0.481 617 I N 2.483 123.070 120.570 0.028 0.000 2.252 617 I HA -0.068 4.102 4.170 0.001 0.000 0.245 617 I C 0.556 176.672 176.117 -0.001 0.000 1.102 617 I CA 1.040 62.360 61.300 0.033 0.000 1.385 617 I CB -0.476 37.577 38.000 0.088 0.000 1.064 617 I HN 0.831 nan 8.210 nan 0.000 0.414 618 S N -1.905 113.797 115.700 0.003 0.000 2.606 618 S HA 0.244 4.715 4.470 0.001 0.000 0.290 618 S C -1.312 173.369 174.600 0.135 0.000 1.103 618 S CA -1.043 57.176 58.200 0.031 0.000 0.870 618 S CB -0.023 63.231 63.200 0.091 0.000 1.077 618 S HN 0.244 nan 8.310 nan 0.000 0.448 619 W N 2.173 123.512 121.300 0.064 0.000 2.158 619 W HA 0.476 5.137 4.660 0.001 0.000 0.339 619 W C 1.144 177.768 176.519 0.174 0.000 1.294 619 W CA 0.498 57.872 57.345 0.049 0.000 1.231 619 W CB 1.219 30.686 29.460 0.013 0.000 1.143 619 W HN 0.938 nan 8.180 nan 0.000 0.571 620 T N -0.381 114.544 114.554 0.618 0.000 2.865 620 T HA 0.615 4.965 4.350 0.001 0.000 0.294 620 T C -0.231 174.738 174.700 0.447 0.000 1.119 620 T CA -0.917 61.444 62.100 0.436 0.000 1.007 620 T CB 2.264 71.332 68.868 0.334 0.000 1.225 620 T HN 0.630 nan 8.240 nan 0.000 0.515 621 K N -0.520 120.095 120.400 0.358 0.000 1.860 621 K HA -0.205 4.115 4.320 0.001 0.000 0.320 621 K C 1.379 178.124 176.600 0.242 0.000 1.716 621 K CA 1.068 57.536 56.287 0.301 0.000 0.609 621 K CB -1.790 30.855 32.500 0.241 0.000 0.915 621 K HN 0.960 nan 8.250 nan 0.000 0.766 622 G N 0.253 109.181 108.800 0.213 0.000 2.813 622 G HA2 0.120 4.080 3.960 0.001 0.000 0.209 622 G HA3 0.120 4.080 3.960 0.001 0.000 0.209 622 G C 0.008 174.867 174.900 -0.068 0.000 1.150 622 G CA 0.115 45.255 45.100 0.066 0.000 0.785 622 G HN 0.181 nan 8.290 nan 0.000 0.535 623 F N -0.112 119.668 119.950 -0.284 0.000 2.427 623 F HA 0.581 5.109 4.527 0.001 0.000 0.352 623 F C 0.826 176.045 175.800 -0.969 0.000 1.100 623 F CA -0.491 57.042 58.000 -0.779 0.000 1.191 623 F CB 1.968 40.127 39.000 -1.401 0.000 1.128 623 F HN -0.176 nan 8.300 nan 0.000 0.533 624 K N 2.235 122.197 120.400 -0.729 0.000 3.307 624 K HA 0.454 4.774 4.320 0.001 0.000 0.188 624 K C -0.789 175.703 176.600 -0.180 0.000 1.063 624 K CA -0.087 55.947 56.287 -0.421 0.000 0.949 624 K CB 0.531 32.952 32.500 -0.132 0.000 0.707 624 K HN 0.549 nan 8.250 nan 0.000 0.441 625 A N 1.030 123.736 122.820 -0.190 0.000 2.454 625 A HA 0.338 4.658 4.320 0.001 0.000 0.260 625 A C 0.568 178.396 177.584 0.406 0.000 1.106 625 A CA 0.200 52.345 52.037 0.180 0.000 0.780 625 A CB -0.306 18.867 19.000 0.290 0.000 1.044 625 A HN 0.509 nan 8.150 nan 0.000 0.498 626 T N 0.749 115.437 114.554 0.223 0.000 2.855 626 T HA 0.237 4.588 4.350 0.001 0.000 0.314 626 T C 0.062 174.856 174.700 0.156 0.000 1.077 626 T CA 0.350 62.555 62.100 0.175 0.000 1.095 626 T CB 0.172 69.102 68.868 0.104 0.000 0.987 626 T HN 0.766 nan 8.240 nan 0.000 0.546 627 D N 0.582 121.017 120.400 0.059 0.000 2.697 627 D HA -0.159 4.482 4.640 0.001 0.000 0.235 627 D C 0.459 176.664 176.300 -0.159 0.000 1.167 627 D CA 0.550 54.518 54.000 -0.053 0.000 0.656 627 D CB -1.506 39.334 40.800 0.067 0.000 1.025 627 D HN 0.687 nan 8.370 nan 0.000 0.419 628 C N -0.323 118.863 119.300 -0.191 0.000 2.878 628 C HA 0.028 4.489 4.460 0.001 0.000 0.490 628 C C 1.124 175.813 174.990 -0.501 0.000 1.339 628 C CA -0.183 58.692 59.018 -0.239 0.000 2.353 628 C CB 0.388 28.180 27.740 0.087 0.000 3.174 628 C HN 0.286 nan 8.230 nan 0.000 0.569 629 E N 0.739 120.652 120.200 -0.479 0.000 2.376 629 E HA 0.385 4.736 4.350 0.001 0.000 0.266 629 E C 1.042 177.439 176.600 -0.340 0.000 1.009 629 E CA 0.950 57.111 56.400 -0.398 0.000 0.902 629 E CB 0.263 29.809 29.700 -0.256 0.000 0.972 629 E HN 0.609 nan 8.360 nan 0.000 0.439 630 G N 2.701 111.385 108.800 -0.194 0.000 2.195 630 G HA2 -0.205 3.756 3.960 0.001 0.000 0.246 630 G HA3 -0.205 3.756 3.960 0.001 0.000 0.246 630 G C -0.091 174.880 174.900 0.118 0.000 0.984 630 G CA -0.165 44.901 45.100 -0.058 0.000 0.633 630 G HN 0.577 nan 8.290 nan 0.000 0.525 631 H N 0.397 119.393 119.070 -0.123 0.000 2.567 631 H HA 0.605 5.161 4.556 0.001 0.000 0.345 631 H C -0.556 174.687 175.328 -0.142 0.000 1.169 631 H CA -1.273 54.694 56.048 -0.136 0.000 1.227 631 H CB 1.435 31.093 29.762 -0.174 0.000 1.607 631 H HN 0.153 nan 8.280 nan 0.000 0.534 632 D N 1.676 122.070 120.400 -0.009 0.000 2.336 632 D HA 0.009 4.650 4.640 0.001 0.000 0.249 632 D C 1.349 177.582 176.300 -0.112 0.000 1.213 632 D CA -0.273 53.700 54.000 -0.045 0.000 0.870 632 D CB 0.777 41.551 40.800 -0.044 0.000 1.076 632 D HN 0.355 nan 8.370 nan 0.000 0.483 633 V N 3.160 122.991 119.914 -0.139 0.000 2.594 633 V HA -0.149 3.972 4.120 0.001 0.000 0.253 633 V C 2.056 178.141 176.094 -0.016 0.000 1.069 633 V CA 1.666 63.847 62.300 -0.197 0.000 1.082 633 V CB -1.108 30.461 31.823 -0.423 0.000 0.680 633 V HN 0.511 nan 8.190 nan 0.000 0.469 634 A N 0.306 123.151 122.820 0.043 0.000 1.933 634 A HA -0.178 4.143 4.320 0.001 0.000 0.218 634 A C 2.566 180.127 177.584 -0.038 0.000 1.175 634 A CA 2.285 54.365 52.037 0.072 0.000 0.628 634 A CB -0.970 18.072 19.000 0.071 0.000 0.814 634 A HN 0.620 nan 8.150 nan 0.000 0.444 635 S N -0.413 115.236 115.700 -0.086 0.000 2.345 635 S HA -0.087 4.383 4.470 0.001 0.000 0.220 635 S C 1.957 176.446 174.600 -0.185 0.000 1.031 635 S CA 1.360 59.487 58.200 -0.123 0.000 0.996 635 S CB -0.519 62.603 63.200 -0.130 0.000 0.882 635 S HN 0.486 nan 8.310 nan 0.000 0.445 636 L N 1.098 122.136 121.223 -0.308 0.000 2.043 636 L HA -0.130 4.211 4.340 0.001 0.000 0.212 636 L C 2.519 179.188 176.870 -0.335 0.000 1.075 636 L CA 1.093 55.635 54.840 -0.497 0.000 0.752 636 L CB -0.669 40.701 42.059 -1.147 0.000 0.891 636 L HN 0.366 nan 8.230 nan 0.000 0.432 637 L N -0.104 120.996 121.223 -0.204 0.000 2.127 637 L HA -0.192 4.148 4.340 0.001 0.000 0.211 637 L C 2.643 179.472 176.870 -0.068 0.000 1.089 637 L CA 1.693 56.510 54.840 -0.038 0.000 0.757 637 L CB -0.553 41.423 42.059 -0.138 0.000 0.899 637 L HN 0.095 nan 8.230 nan 0.000 0.434 638 R N -0.576 119.868 120.500 -0.094 0.000 2.073 638 R HA -0.099 4.242 4.340 0.001 0.000 0.229 638 R C 1.850 178.090 176.300 -0.099 0.000 1.120 638 R CA 1.348 57.394 56.100 -0.090 0.000 0.967 638 R CB -0.335 29.918 30.300 -0.079 0.000 0.862 638 R HN 0.432 nan 8.270 nan 0.000 0.436 639 D N 0.723 121.061 120.400 -0.103 0.000 2.144 639 D HA -0.131 4.509 4.640 0.001 0.000 0.199 639 D C 1.730 177.986 176.300 -0.073 0.000 0.984 639 D CA 1.391 55.337 54.000 -0.090 0.000 0.834 639 D CB -0.261 40.481 40.800 -0.096 0.000 0.955 639 D HN 0.224 nan 8.370 nan 0.000 0.465 640 A N 0.683 123.473 122.820 -0.050 0.000 1.933 640 A HA -0.120 4.200 4.320 0.001 0.000 0.218 640 A C 2.495 180.030 177.584 -0.081 0.000 1.175 640 A CA 1.009 53.039 52.037 -0.012 0.000 0.628 640 A CB -0.668 18.378 19.000 0.076 0.000 0.814 640 A HN 0.152 nan 8.150 nan 0.000 0.444 641 V N 0.124 119.948 119.914 -0.150 0.000 2.343 641 V HA -0.221 3.900 4.120 0.001 0.000 0.247 641 V C 3.134 179.054 176.094 -0.290 0.000 1.051 641 V CA 2.580 64.681 62.300 -0.333 0.000 1.036 641 V CB -1.162 30.440 31.823 -0.368 0.000 0.654 641 V HN 0.777 nan 8.190 nan 0.000 0.451 642 K N 0.489 120.782 120.400 -0.178 0.000 1.963 642 K HA -0.225 4.095 4.320 0.001 0.000 0.216 642 K C 2.145 178.683 176.600 -0.103 0.000 1.045 642 K CA 1.873 58.081 56.287 -0.130 0.000 0.954 642 K CB -1.025 31.419 32.500 -0.094 0.000 0.732 642 K HN 0.498 nan 8.250 nan 0.000 0.442 643 R N -0.297 120.159 120.500 -0.074 0.000 2.165 643 R HA -0.248 4.092 4.340 0.001 0.000 0.254 643 R C 2.666 178.938 176.300 -0.046 0.000 1.153 643 R CA 2.119 58.192 56.100 -0.045 0.000 0.971 643 R CB -0.332 29.955 30.300 -0.022 0.000 0.878 643 R HN 0.501 nan 8.270 nan 0.000 0.449 644 R N 1.033 121.490 120.500 -0.072 0.000 2.062 644 R HA -0.122 4.219 4.340 0.001 0.000 0.231 644 R C 0.625 176.883 176.300 -0.070 0.000 1.136 644 R CA 2.214 58.275 56.100 -0.065 0.000 0.948 644 R CB -0.389 29.842 30.300 -0.116 0.000 0.845 644 R HN 0.303 nan 8.270 nan 0.000 0.430 645 E N -2.086 118.040 120.200 -0.123 0.000 2.287 645 E HA -0.228 4.123 4.350 0.001 0.000 0.229 645 E C 0.316 176.877 176.600 -0.065 0.000 1.194 645 E CA 1.496 57.837 56.400 -0.098 0.000 0.704 645 E CB -2.756 26.911 29.700 -0.054 0.000 1.216 645 E HN 0.811 nan 8.360 nan 0.000 0.381 646 E N -1.139 119.002 120.200 -0.098 0.000 2.444 646 E HA 0.621 4.972 4.350 0.001 0.000 0.203 646 E C 0.868 177.544 176.600 0.127 0.000 0.847 646 E CA 1.229 57.660 56.400 0.051 0.000 1.142 646 E CB 0.300 30.113 29.700 0.189 0.000 1.125 646 E HN 1.683 nan 8.360 nan 0.000 0.521 647 F N -1.507 118.442 119.950 -0.001 0.000 2.849 647 F HA 0.850 5.378 4.527 0.001 0.000 0.341 647 F C -1.172 174.626 175.800 -0.003 0.000 1.185 647 F CA -1.483 56.515 58.000 -0.002 0.000 1.007 647 F CB 1.352 40.353 39.000 0.001 0.000 1.454 647 F HN -0.094 nan 8.300 nan 0.000 0.518 648 D N -0.258 120.247 120.400 0.175 0.000 2.655 648 D HA 0.702 5.343 4.640 0.001 0.000 0.229 648 D C -1.759 174.659 176.300 0.198 0.000 1.229 648 D CA -0.195 53.841 54.000 0.059 0.000 0.807 648 D CB 2.497 43.298 40.800 0.002 0.000 1.514 648 D HN 0.759 nan 8.370 nan 0.000 0.444 649 L N -0.069 121.232 121.223 0.129 0.000 2.568 649 L HA 0.646 4.987 4.340 0.001 0.000 0.257 649 L C -0.937 175.979 176.870 0.076 0.000 1.024 649 L CA -0.934 53.985 54.840 0.132 0.000 0.854 649 L CB 1.177 43.352 42.059 0.193 0.000 1.460 649 L HN 0.088 nan 8.230 nan 0.000 0.409 650 D N 0.374 120.822 120.400 0.079 0.000 2.443 650 D HA 0.435 5.075 4.640 0.001 0.000 0.221 650 D C -0.600 175.748 176.300 0.081 0.000 1.097 650 D CA -0.141 53.900 54.000 0.068 0.000 0.865 650 D CB 1.233 42.076 40.800 0.072 0.000 1.034 650 D HN 0.477 nan 8.370 nan 0.000 0.511 651 V N 5.421 125.372 119.914 0.062 0.000 2.180 651 V HA -0.019 4.102 4.120 0.001 0.000 0.238 651 V C 1.739 177.886 176.094 0.087 0.000 1.337 651 V CA -0.069 62.276 62.300 0.074 0.000 1.338 651 V CB 0.187 32.040 31.823 0.050 0.000 1.431 651 V HN 0.458 nan 8.190 nan 0.000 0.498 652 V N 2.686 122.665 119.914 0.107 0.000 2.358 652 V HA -0.006 4.115 4.120 0.001 0.000 0.246 652 V C 1.185 177.334 176.094 0.092 0.000 1.047 652 V CA 1.881 64.241 62.300 0.101 0.000 1.035 652 V CB -0.297 31.605 31.823 0.131 0.000 0.658 652 V HN 0.850 nan 8.190 nan 0.000 0.452 653 A N -1.194 121.697 122.820 0.117 0.000 2.539 653 A HA 0.720 5.041 4.320 0.001 0.000 0.296 653 A C -1.344 176.339 177.584 0.165 0.000 1.073 653 A CA -0.363 51.741 52.037 0.112 0.000 0.700 653 A CB 2.180 21.230 19.000 0.083 0.000 1.296 653 A HN -0.030 nan 8.150 nan 0.000 0.405 654 V N 2.353 122.353 119.914 0.144 0.000 2.325 654 V HA 0.503 4.624 4.120 0.001 0.000 0.280 654 V C -0.092 176.062 176.094 0.101 0.000 1.016 654 V CA -0.401 61.992 62.300 0.154 0.000 0.818 654 V CB 0.857 32.763 31.823 0.138 0.000 1.019 654 V HN 1.150 nan 8.190 nan 0.000 0.434 655 V N 1.979 121.942 119.914 0.083 0.000 2.769 655 V HA 0.674 4.795 4.120 0.001 0.000 0.312 655 V C -0.082 176.016 176.094 0.008 0.000 1.058 655 V CA -0.727 61.598 62.300 0.042 0.000 0.952 655 V CB 2.052 33.893 31.823 0.030 0.000 1.019 655 V HN 0.703 nan 8.190 nan 0.000 0.445 656 N N 2.039 120.724 118.700 -0.025 0.000 2.508 656 N HA 0.121 4.862 4.740 0.001 0.000 0.285 656 N C 0.583 176.040 175.510 -0.089 0.000 1.144 656 N CA 0.236 53.241 53.050 -0.075 0.000 0.978 656 N CB 1.904 40.338 38.487 -0.089 0.000 1.180 656 N HN 0.977 nan 8.380 nan 0.000 0.484 657 D N 0.938 121.262 120.400 -0.126 0.000 2.218 657 D HA -0.186 4.455 4.640 0.001 0.000 0.204 657 D C 1.546 177.779 176.300 -0.111 0.000 0.976 657 D CA 1.798 55.731 54.000 -0.112 0.000 0.853 657 D CB -0.708 40.011 40.800 -0.135 0.000 0.939 657 D HN 0.692 nan 8.370 nan 0.000 0.481 658 T N -1.132 113.343 114.554 -0.131 0.000 2.737 658 T HA -0.096 4.255 4.350 0.001 0.000 0.265 658 T C 2.256 176.888 174.700 -0.114 0.000 1.038 658 T CA 1.318 63.335 62.100 -0.139 0.000 1.144 658 T CB -0.942 67.821 68.868 -0.175 0.000 0.866 658 T HN 0.064 nan 8.240 nan 0.000 0.434 659 V N 2.165 122.017 119.914 -0.103 0.000 2.343 659 V HA -0.023 4.098 4.120 0.001 0.000 0.247 659 V C 3.111 179.166 176.094 -0.066 0.000 1.051 659 V CA 1.934 64.183 62.300 -0.084 0.000 1.036 659 V CB -1.555 30.224 31.823 -0.073 0.000 0.654 659 V HN 0.700 nan 8.190 nan 0.000 0.451 660 G N -0.623 108.141 108.800 -0.060 0.000 2.418 660 G HA2 -0.224 3.736 3.960 0.001 0.000 0.217 660 G HA3 -0.224 3.736 3.960 0.001 0.000 0.217 660 G C 1.703 176.571 174.900 -0.053 0.000 1.158 660 G CA 1.467 46.538 45.100 -0.048 0.000 0.771 660 G HN 0.462 nan 8.290 nan 0.000 0.545 661 T N 0.961 115.477 114.554 -0.064 0.000 2.746 661 T HA -0.122 4.229 4.350 0.001 0.000 0.267 661 T C 2.252 176.918 174.700 -0.057 0.000 1.039 661 T CA 1.297 63.359 62.100 -0.063 0.000 1.142 661 T CB -0.212 68.609 68.868 -0.079 0.000 0.866 661 T HN 0.221 nan 8.240 nan 0.000 0.444 662 M N 0.298 119.859 119.600 -0.066 0.000 2.108 662 M HA -0.117 4.364 4.480 0.001 0.000 0.261 662 M C 1.998 178.277 176.300 -0.034 0.000 1.066 662 M CA 1.651 56.915 55.300 -0.060 0.000 1.107 662 M CB -0.224 32.334 32.600 -0.071 0.000 1.356 662 M HN 0.175 nan 8.290 nan 0.000 0.406 663 M N -0.595 118.988 119.600 -0.029 0.000 2.156 663 M HA -0.111 4.369 4.480 0.001 0.000 0.264 663 M C 2.052 178.366 176.300 0.024 0.000 1.067 663 M CA 1.640 56.938 55.300 -0.003 0.000 1.131 663 M CB -1.590 31.000 32.600 -0.017 0.000 1.368 663 M HN 0.277 nan 8.290 nan 0.000 0.416 664 T N 0.350 114.897 114.554 -0.011 0.000 2.759 664 T HA -0.167 4.184 4.350 0.001 0.000 0.269 664 T C 2.023 176.744 174.700 0.035 0.000 1.042 664 T CA 1.484 63.571 62.100 -0.022 0.000 1.140 664 T CB -0.396 68.445 68.868 -0.045 0.000 0.864 664 T HN 0.408 nan 8.240 nan 0.000 0.455 665 C N 1.218 120.536 119.300 0.030 0.000 2.522 665 C HA 0.361 4.822 4.460 0.001 0.000 0.280 665 C C 3.240 178.267 174.990 0.061 0.000 1.303 665 C CA -0.064 58.978 59.018 0.041 0.000 1.709 665 C CB -1.299 26.443 27.740 0.003 0.000 2.071 665 C HN 0.640 nan 8.230 nan 0.000 0.492 666 A N -0.240 122.605 122.820 0.043 0.000 1.986 666 A HA -0.271 4.050 4.320 0.001 0.000 0.220 666 A C 1.918 179.539 177.584 0.062 0.000 1.171 666 A CA 1.917 53.974 52.037 0.032 0.000 0.640 666 A CB -1.026 17.981 19.000 0.011 0.000 0.811 666 A HN 0.729 nan 8.150 nan 0.000 0.451 667 Y N 1.512 121.797 120.300 -0.024 0.000 2.114 667 Y HA -0.300 4.251 4.550 0.001 0.000 0.282 667 Y C 2.440 178.334 175.900 -0.010 0.000 1.165 667 Y CA 2.523 60.613 58.100 -0.017 0.000 1.148 667 Y CB -0.120 38.329 38.460 -0.018 0.000 0.972 667 Y HN 0.625 nan 8.280 nan 0.000 0.504 668 E N -0.558 119.726 120.200 0.140 0.000 2.140 668 E HA -0.069 4.281 4.350 0.001 0.000 0.191 668 E C 0.267 176.862 176.600 -0.008 0.000 0.973 668 E CA 0.727 57.153 56.400 0.044 0.000 0.829 668 E CB -0.121 29.667 29.700 0.146 0.000 0.781 668 E HN 0.290 nan 8.360 nan 0.000 0.466 669 E N 2.287 122.494 120.200 0.011 0.000 2.183 669 E HA 0.153 4.504 4.350 0.001 0.000 0.250 669 E C -1.933 174.656 176.600 -0.018 0.000 0.901 669 E CA -3.058 53.339 56.400 -0.006 0.000 0.741 669 E CB 1.398 31.100 29.700 0.003 0.000 1.182 669 E HN -0.146 nan 8.360 nan 0.000 0.425 670 P HA -0.240 nan 4.420 nan 0.000 0.218 670 P C 0.884 178.167 177.300 -0.028 0.000 1.146 670 P CA 1.511 64.591 63.100 -0.032 0.000 0.820 670 P CB 0.001 31.679 31.700 -0.036 0.000 0.778 671 T N -4.203 110.335 114.554 -0.027 0.000 3.118 671 T HA -0.021 4.330 4.350 0.001 0.000 0.260 671 T C 1.023 175.696 174.700 -0.044 0.000 1.139 671 T CA -0.128 61.953 62.100 -0.032 0.000 1.085 671 T CB -1.387 67.464 68.868 -0.029 0.000 0.934 671 T HN 0.102 nan 8.240 nan 0.000 0.518 672 C N 2.399 121.673 119.300 -0.043 0.000 2.373 672 C HA 0.436 4.896 4.460 0.001 0.000 0.354 672 C C 0.954 175.913 174.990 -0.051 0.000 1.249 672 C CA -0.439 58.545 59.018 -0.057 0.000 1.784 672 C CB -0.851 26.861 27.740 -0.046 0.000 2.408 672 C HN 0.643 nan 8.230 nan 0.000 0.542 673 E N 3.953 124.119 120.200 -0.057 0.000 2.676 673 E HA 0.303 4.654 4.350 0.001 0.000 0.225 673 E C -0.567 176.017 176.600 -0.027 0.000 0.944 673 E CA 0.089 56.467 56.400 -0.038 0.000 1.156 673 E CB 0.624 30.313 29.700 -0.020 0.000 1.117 673 E HN 0.710 nan 8.360 nan 0.000 0.523 674 I N 0.351 120.884 120.570 -0.061 0.000 2.608 674 I HA 0.508 4.679 4.170 0.001 0.000 0.295 674 I C -0.011 176.039 176.117 -0.112 0.000 1.049 674 I CA -1.128 60.134 61.300 -0.064 0.000 1.063 674 I CB 2.261 40.200 38.000 -0.102 0.000 1.248 674 I HN -0.110 nan 8.210 nan 0.000 0.424 675 G N 5.156 113.885 108.800 -0.117 0.000 2.609 675 G HA2 0.660 4.620 3.960 0.001 0.000 0.308 675 G HA3 0.660 4.620 3.960 0.001 0.000 0.308 675 G C -1.806 172.989 174.900 -0.174 0.000 1.369 675 G CA -0.384 44.635 45.100 -0.135 0.000 0.958 675 G HN 0.389 nan 8.290 nan 0.000 0.499 676 L N 3.083 124.211 121.223 -0.159 0.000 2.365 676 L HA 0.765 5.106 4.340 0.001 0.000 0.273 676 L C -1.118 175.669 176.870 -0.138 0.000 1.000 676 L CA -0.995 53.752 54.840 -0.154 0.000 0.819 676 L CB 1.682 43.722 42.059 -0.031 0.000 1.284 676 L HN 0.329 nan 8.230 nan 0.000 0.418 677 I N 5.960 126.456 120.570 -0.123 0.000 2.447 677 I HA 0.419 4.590 4.170 0.001 0.000 0.287 677 I C -0.985 175.118 176.117 -0.023 0.000 1.023 677 I CA -0.475 60.768 61.300 -0.094 0.000 1.083 677 I CB 2.024 39.958 38.000 -0.110 0.000 1.245 677 I HN 0.344 nan 8.210 nan 0.000 0.434 678 V N 6.025 125.919 119.914 -0.035 0.000 2.454 678 V HA 0.706 4.827 4.120 0.001 0.000 0.267 678 V C 0.397 176.447 176.094 -0.072 0.000 0.993 678 V CA -0.242 62.040 62.300 -0.029 0.000 0.836 678 V CB 0.919 32.693 31.823 -0.083 0.000 1.055 678 V HN 0.964 nan 8.190 nan 0.000 0.452 679 G N 1.965 110.737 108.800 -0.047 0.000 3.382 679 G HA2 0.258 4.219 3.960 0.001 0.000 0.183 679 G HA3 0.258 4.219 3.960 0.001 0.000 0.183 679 G C 0.882 175.758 174.900 -0.041 0.000 1.246 679 G CA 0.738 45.808 45.100 -0.051 0.000 0.828 679 G HN 0.290 nan 8.290 nan 0.000 0.728 680 T N 0.565 115.095 114.554 -0.041 0.000 2.759 680 T HA 0.182 4.533 4.350 0.001 0.000 0.269 680 T C 1.093 175.786 174.700 -0.011 0.000 1.042 680 T CA 1.672 63.741 62.100 -0.051 0.000 1.140 680 T CB -0.388 68.458 68.868 -0.038 0.000 0.864 680 T HN 0.761 nan 8.240 nan 0.000 0.455 681 G N -0.886 107.930 108.800 0.027 0.000 3.015 681 G HA2 0.572 4.533 3.960 0.001 0.000 0.281 681 G HA3 0.572 4.533 3.960 0.001 0.000 0.281 681 G C -1.424 173.541 174.900 0.108 0.000 1.386 681 G CA -0.424 44.746 45.100 0.118 0.000 0.959 681 G HN 0.089 nan 8.290 nan 0.000 0.522 682 T N -0.901 113.765 114.554 0.187 0.000 2.909 682 T HA 0.668 5.018 4.350 0.001 0.000 0.299 682 T C -0.976 173.889 174.700 0.274 0.000 1.073 682 T CA -0.566 61.688 62.100 0.256 0.000 0.999 682 T CB 1.746 70.851 68.868 0.395 0.000 1.098 682 T HN 0.830 nan 8.240 nan 0.000 0.477 683 N N 0.857 119.563 118.700 0.010 0.000 3.348 683 N HA 0.715 5.455 4.740 0.001 0.000 0.233 683 N C -2.010 173.011 175.510 -0.814 0.000 1.440 683 N CA -0.122 52.645 53.050 -0.472 0.000 0.887 683 N CB 1.617 39.974 38.487 -0.216 0.000 1.410 683 N HN 0.960 nan 8.380 nan 0.000 0.502 684 A N -0.268 121.959 122.820 -0.988 0.000 2.609 684 A HA 0.817 5.138 4.320 0.001 0.000 0.291 684 A C -1.111 176.238 177.584 -0.392 0.000 1.096 684 A CA -0.315 51.280 52.037 -0.736 0.000 0.684 684 A CB 0.173 18.514 19.000 -1.098 0.000 1.282 684 A HN 1.428 nan 8.150 nan 0.000 0.412 685 C N -1.169 118.006 119.300 -0.210 0.000 3.239 685 C HA 1.015 5.476 4.460 0.001 0.000 0.317 685 C C -1.360 173.655 174.990 0.042 0.000 1.310 685 C CA -0.772 58.194 59.018 -0.086 0.000 1.371 685 C CB 0.674 28.330 27.740 -0.141 0.000 1.714 685 C HN 2.024 nan 8.230 nan 0.000 0.473 686 Y N -0.079 120.137 120.300 -0.141 0.000 2.624 686 Y HA 0.746 5.296 4.550 0.001 0.000 0.334 686 Y C -0.821 175.017 175.900 -0.103 0.000 1.155 686 Y CA -1.908 56.121 58.100 -0.119 0.000 1.046 686 Y CB 0.779 39.175 38.460 -0.107 0.000 1.316 686 Y HN 0.606 nan 8.280 nan 0.000 0.457 687 M N 2.998 122.527 119.600 -0.119 0.000 2.618 687 M HA 0.178 4.659 4.480 0.001 0.000 0.322 687 M C -0.316 175.873 176.300 -0.185 0.000 1.471 687 M CA 0.167 55.364 55.300 -0.173 0.000 1.450 687 M CB -0.921 31.638 32.600 -0.068 0.000 1.444 687 M HN 0.808 nan 8.290 nan 0.000 0.471 688 E N 2.801 122.748 120.200 -0.421 0.000 2.331 688 E HA 0.163 4.513 4.350 0.001 0.000 0.272 688 E C -0.423 176.094 176.600 -0.137 0.000 1.036 688 E CA -0.197 56.035 56.400 -0.279 0.000 0.864 688 E CB 0.802 30.232 29.700 -0.449 0.000 1.035 688 E HN 0.310 nan 8.360 nan 0.000 0.408 689 E N 4.481 124.651 120.200 -0.050 0.000 2.392 689 E HA -0.037 4.313 4.350 0.001 0.000 0.264 689 E C 0.798 177.361 176.600 -0.061 0.000 1.024 689 E CA 0.011 56.385 56.400 -0.043 0.000 0.903 689 E CB 0.561 30.253 29.700 -0.013 0.000 0.963 689 E HN 0.707 nan 8.360 nan 0.000 0.432 690 M N 2.740 122.303 119.600 -0.061 0.000 2.229 690 M HA -0.179 4.302 4.480 0.001 0.000 0.264 690 M C 2.214 178.487 176.300 -0.045 0.000 1.063 690 M CA 1.803 57.064 55.300 -0.065 0.000 1.114 690 M CB -0.919 31.648 32.600 -0.055 0.000 1.387 690 M HN 0.593 nan 8.290 nan 0.000 0.420 691 K N 0.716 121.098 120.400 -0.031 0.000 2.173 691 K HA -0.192 4.128 4.320 0.001 0.000 0.207 691 K C 1.422 178.010 176.600 -0.020 0.000 1.046 691 K CA 1.958 58.233 56.287 -0.020 0.000 0.929 691 K CB -1.195 31.297 32.500 -0.013 0.000 0.720 691 K HN 0.560 nan 8.250 nan 0.000 0.453 692 N N -0.241 118.444 118.700 -0.025 0.000 2.409 692 N HA 0.021 4.762 4.740 0.001 0.000 0.174 692 N C 0.120 175.609 175.510 -0.035 0.000 1.037 692 N CA 0.641 53.678 53.050 -0.021 0.000 0.898 692 N CB 0.470 38.953 38.487 -0.007 0.000 1.010 692 N HN 0.228 nan 8.380 nan 0.000 0.445 693 V N 2.716 122.594 119.914 -0.059 0.000 2.324 693 V HA 0.008 4.129 4.120 0.001 0.000 0.244 693 V C 1.513 177.573 176.094 -0.057 0.000 1.144 693 V CA 0.306 62.557 62.300 -0.082 0.000 1.158 693 V CB -0.087 31.657 31.823 -0.132 0.000 1.254 693 V HN 0.183 nan 8.190 nan 0.000 0.492 694 E N 3.291 123.468 120.200 -0.038 0.000 2.152 694 E HA -0.136 4.215 4.350 0.001 0.000 0.192 694 E C 1.952 178.544 176.600 -0.014 0.000 0.983 694 E CA 0.849 57.237 56.400 -0.020 0.000 0.818 694 E CB 0.102 29.796 29.700 -0.010 0.000 0.758 694 E HN 0.596 nan 8.360 nan 0.000 0.467 695 M N 0.144 119.729 119.600 -0.025 0.000 2.476 695 M HA 0.021 4.502 4.480 0.001 0.000 0.262 695 M C 0.250 176.551 176.300 0.001 0.000 1.079 695 M CA 0.640 55.935 55.300 -0.010 0.000 1.104 695 M CB 0.046 32.632 32.600 -0.024 0.000 1.409 695 M HN -0.165 nan 8.290 nan 0.000 0.467 696 V N 1.163 121.061 119.914 -0.025 0.000 2.409 696 V HA 0.400 4.520 4.120 0.001 0.000 0.291 696 V C 0.312 176.414 176.094 0.013 0.000 1.020 696 V CA -0.942 61.360 62.300 0.003 0.000 0.848 696 V CB 1.180 32.948 31.823 -0.092 0.000 0.990 696 V HN 0.380 nan 8.190 nan 0.000 0.430 697 E N 2.787 123.014 120.200 0.044 0.000 2.373 697 E HA 0.649 4.999 4.350 0.001 0.000 0.267 697 E C 0.453 177.073 176.600 0.034 0.000 1.032 697 E CA 0.229 56.648 56.400 0.032 0.000 0.889 697 E CB 1.249 30.971 29.700 0.037 0.000 0.984 697 E HN 1.845 nan 8.360 nan 0.000 0.425 698 G N 0.883 109.693 108.800 0.018 0.000 2.312 698 G HA2 0.260 4.220 3.960 0.001 0.000 0.347 698 G HA3 0.260 4.220 3.960 0.001 0.000 0.347 698 G C -0.004 174.897 174.900 0.001 0.000 1.564 698 G CA 0.253 45.363 45.100 0.015 0.000 0.981 698 G HN 1.142 nan 8.290 nan 0.000 0.678 699 N N -1.053 117.647 118.700 -0.001 0.000 2.297 699 N HA 0.075 4.816 4.740 0.001 0.000 0.208 699 N C 0.431 175.935 175.510 -0.010 0.000 1.176 699 N CA 0.295 53.341 53.050 -0.007 0.000 0.882 699 N CB 0.290 38.775 38.487 -0.003 0.000 1.134 699 N HN 0.583 nan 8.380 nan 0.000 0.489 700 Q N 0.818 120.614 119.800 -0.008 0.000 2.260 700 Q HA 0.468 4.808 4.340 0.001 0.000 0.238 700 Q C 0.886 176.876 176.000 -0.017 0.000 0.948 700 Q CA 0.342 56.139 55.803 -0.010 0.000 0.895 700 Q CB 1.066 29.802 28.738 -0.004 0.000 1.218 700 Q HN 0.415 nan 8.270 nan 0.000 0.470 701 G N 1.530 110.319 108.800 -0.019 0.000 2.601 701 G HA2 -0.306 3.655 3.960 0.001 0.000 0.261 701 G HA3 -0.306 3.655 3.960 0.001 0.000 0.261 701 G C -0.444 174.431 174.900 -0.042 0.000 1.289 701 G CA 0.174 45.258 45.100 -0.026 0.000 0.920 701 G HN 0.548 nan 8.290 nan 0.000 0.571 702 Q N -1.786 117.981 119.800 -0.055 0.000 2.852 702 Q HA 0.867 5.208 4.340 0.001 0.000 0.262 702 Q C -0.083 175.848 176.000 -0.116 0.000 1.051 702 Q CA -0.668 55.084 55.803 -0.085 0.000 0.894 702 Q CB 1.874 30.561 28.738 -0.084 0.000 1.381 702 Q HN 1.019 nan 8.270 nan 0.000 0.501 703 M N 0.001 119.500 119.600 -0.169 0.000 2.325 703 M HA 0.357 4.838 4.480 0.001 0.000 0.285 703 M C -2.089 174.050 176.300 -0.269 0.000 1.119 703 M CA -0.336 54.831 55.300 -0.221 0.000 0.959 703 M CB 1.738 34.170 32.600 -0.279 0.000 1.737 703 M HN 0.736 nan 8.290 nan 0.000 0.486 704 C N 6.338 125.491 119.300 -0.245 0.000 2.624 704 C HA 0.473 4.934 4.460 0.001 0.000 0.397 704 C C -0.082 174.720 174.990 -0.314 0.000 1.331 704 C CA -0.478 58.382 59.018 -0.264 0.000 1.716 704 C CB -1.214 26.419 27.740 -0.179 0.000 2.452 704 C HN 0.665 nan 8.230 nan 0.000 0.586 705 I N 6.333 126.646 120.570 -0.428 0.000 2.312 705 I HA 0.127 4.297 4.170 0.001 0.000 0.291 705 I C 0.387 176.349 176.117 -0.259 0.000 1.031 705 I CA 0.304 61.379 61.300 -0.375 0.000 1.293 705 I CB 0.633 38.349 38.000 -0.474 0.000 1.403 705 I HN 0.700 nan 8.210 nan 0.000 0.484 706 N N 7.633 126.226 118.700 -0.178 0.000 2.508 706 N HA 0.083 4.824 4.740 0.001 0.000 0.253 706 N C -0.094 175.363 175.510 -0.088 0.000 1.145 706 N CA -0.145 52.828 53.050 -0.129 0.000 0.973 706 N CB 0.388 38.811 38.487 -0.106 0.000 1.305 706 N HN 0.549 nan 8.380 nan 0.000 0.506 707 M N 2.311 121.870 119.600 -0.069 0.000 2.292 707 M HA 0.058 4.538 4.480 0.001 0.000 0.342 707 M C 0.034 176.325 176.300 -0.014 0.000 1.538 707 M CA -0.151 55.149 55.300 0.000 0.000 1.163 707 M CB 0.331 32.965 32.600 0.057 0.000 1.823 707 M HN 0.342 nan 8.290 nan 0.000 0.462 708 E N 5.895 126.124 120.200 0.050 0.000 2.346 708 E HA -0.009 4.342 4.350 0.001 0.000 0.317 708 E C 0.328 177.071 176.600 0.238 0.000 1.404 708 E CA 0.071 56.527 56.400 0.093 0.000 1.534 708 E CB -0.250 29.505 29.700 0.091 0.000 1.309 708 E HN 0.723 nan 8.360 nan 0.000 0.499 709 W N 1.628 122.993 121.300 0.110 0.000 2.611 709 W HA 0.185 4.845 4.660 0.001 0.000 0.251 709 W C 1.102 177.817 176.519 0.326 0.000 1.265 709 W CA 0.570 58.009 57.345 0.157 0.000 1.295 709 W CB -1.029 28.506 29.460 0.125 0.000 1.129 709 W HN 0.283 nan 8.180 nan 0.000 0.630 710 G N 0.833 110.096 108.800 0.770 0.000 2.559 710 G HA2 -0.004 3.957 3.960 0.001 0.000 0.216 710 G HA3 -0.004 3.957 3.960 0.001 0.000 0.216 710 G C 1.603 176.740 174.900 0.395 0.000 1.126 710 G CA 1.014 46.467 45.100 0.589 0.000 0.778 710 G HN 0.457 nan 8.290 nan 0.000 0.543 711 A N 0.100 123.124 122.820 0.340 0.000 2.195 711 A HA 0.405 4.726 4.320 0.001 0.000 0.210 711 A C 0.790 178.515 177.584 0.235 0.000 1.165 711 A CA -0.620 51.557 52.037 0.233 0.000 0.806 711 A CB -0.228 18.884 19.000 0.186 0.000 0.847 711 A HN 0.263 nan 8.150 nan 0.000 0.482 712 F N 1.889 121.880 119.950 0.068 0.000 2.514 712 F HA 0.323 4.851 4.527 0.001 0.000 0.399 712 F C 1.279 177.051 175.800 -0.047 0.000 1.011 712 F CA 0.933 58.875 58.000 -0.095 0.000 1.109 712 F CB -0.595 38.134 39.000 -0.452 0.000 0.980 712 F HN 0.394 nan 8.300 nan 0.000 0.538 713 G N 4.298 113.007 108.800 -0.151 0.000 2.192 713 G HA2 -0.256 3.705 3.960 0.001 0.000 0.193 713 G HA3 -0.256 3.705 3.960 0.001 0.000 0.193 713 G C 0.748 175.594 174.900 -0.089 0.000 0.999 713 G CA 0.129 45.072 45.100 -0.262 0.000 0.659 713 G HN 0.545 nan 8.290 nan 0.000 0.503 714 D N 1.016 121.413 120.400 -0.005 0.000 2.371 714 D HA -0.021 4.620 4.640 0.001 0.000 0.221 714 D C 2.199 178.504 176.300 0.008 0.000 0.986 714 D CA 1.227 55.235 54.000 0.014 0.000 0.899 714 D CB -0.033 40.797 40.800 0.050 0.000 0.902 714 D HN 0.688 nan 8.370 nan 0.000 0.530 715 N N -0.608 118.094 118.700 0.003 0.000 2.388 715 N HA 0.029 4.770 4.740 0.001 0.000 0.176 715 N C 1.494 176.992 175.510 -0.019 0.000 1.062 715 N CA 1.098 54.150 53.050 0.004 0.000 0.895 715 N CB 0.616 39.116 38.487 0.022 0.000 1.018 715 N HN 0.189 nan 8.380 nan 0.000 0.456 716 G N 0.313 109.084 108.800 -0.048 0.000 2.367 716 G HA2 -0.269 3.692 3.960 0.001 0.000 0.181 716 G HA3 -0.269 3.692 3.960 0.001 0.000 0.181 716 G C 1.026 175.872 174.900 -0.090 0.000 1.000 716 G CA 0.009 45.071 45.100 -0.064 0.000 0.693 716 G HN 0.546 nan 8.290 nan 0.000 0.480 717 C N 0.426 119.668 119.300 -0.097 0.000 2.460 717 C HA 0.529 4.989 4.460 0.001 0.000 0.291 717 C C 1.968 176.829 174.990 -0.216 0.000 1.493 717 C CA 0.852 59.805 59.018 -0.107 0.000 1.748 717 C CB -1.361 26.367 27.740 -0.020 0.000 1.656 717 C HN 0.370 nan 8.230 nan 0.000 0.576 718 L N -0.021 121.038 121.223 -0.274 0.000 2.966 718 L HA 0.209 4.550 4.340 0.001 0.000 0.262 718 L C 0.938 177.700 176.870 -0.181 0.000 1.165 718 L CA 0.156 54.818 54.840 -0.297 0.000 0.978 718 L CB -0.125 41.674 42.059 -0.434 0.000 1.337 718 L HN 0.073 nan 8.230 nan 0.000 0.563 719 D N 0.751 121.066 120.400 -0.142 0.000 2.392 719 D HA -0.140 4.501 4.640 0.001 0.000 0.228 719 D C 1.210 177.448 176.300 -0.104 0.000 1.003 719 D CA 0.847 54.780 54.000 -0.113 0.000 0.917 719 D CB 0.096 40.841 40.800 -0.091 0.000 0.890 719 D HN 0.538 nan 8.370 nan 0.000 0.532 720 D N -0.424 119.916 120.400 -0.101 0.000 2.327 720 D HA -0.034 4.606 4.640 0.001 0.000 0.205 720 D C 1.848 178.092 176.300 -0.094 0.000 0.989 720 D CA 0.210 54.159 54.000 -0.085 0.000 0.873 720 D CB -0.286 40.476 40.800 -0.064 0.000 0.955 720 D HN 0.416 nan 8.370 nan 0.000 0.515 721 I N -2.757 117.747 120.570 -0.110 0.000 4.057 721 I HA 0.294 4.465 4.170 0.001 0.000 0.334 721 I C 0.189 176.207 176.117 -0.165 0.000 1.308 721 I CA -0.646 60.582 61.300 -0.120 0.000 1.125 721 I CB 0.217 38.161 38.000 -0.093 0.000 1.034 721 I HN -0.289 nan 8.210 nan 0.000 0.401 722 R N 2.983 123.389 120.500 -0.158 0.000 2.389 722 R HA 0.280 4.621 4.340 0.001 0.000 0.295 722 R C 0.369 176.536 176.300 -0.222 0.000 1.075 722 R CA 0.174 56.174 56.100 -0.166 0.000 1.005 722 R CB 0.928 31.151 30.300 -0.129 0.000 0.987 722 R HN 0.379 nan 8.270 nan 0.000 0.452 723 T N -2.064 112.332 114.554 -0.264 0.000 2.912 723 T HA 0.129 4.480 4.350 0.001 0.000 0.280 723 T C 0.735 175.269 174.700 -0.277 0.000 0.989 723 T CA -0.999 60.892 62.100 -0.350 0.000 0.995 723 T CB 1.183 69.775 68.868 -0.460 0.000 1.077 723 T HN 0.410 nan 8.240 nan 0.000 0.531 724 D N -0.177 119.975 120.400 -0.414 0.000 2.309 724 D HA -0.026 4.615 4.640 0.001 0.000 0.212 724 D C 1.367 177.455 176.300 -0.354 0.000 0.968 724 D CA 0.931 54.690 54.000 -0.401 0.000 0.882 724 D CB -0.134 40.360 40.800 -0.509 0.000 0.918 724 D HN 0.473 nan 8.370 nan 0.000 0.503 725 F N 1.576 121.513 119.950 -0.021 0.000 2.234 725 F HA -0.029 4.499 4.527 0.001 0.000 0.296 725 F C 2.185 177.976 175.800 -0.015 0.000 1.089 725 F CA 0.369 58.371 58.000 0.004 0.000 1.343 725 F CB -0.440 38.635 39.000 0.125 0.000 1.040 725 F HN -0.146 nan 8.300 nan 0.000 0.498 726 D N 0.640 121.126 120.400 0.143 0.000 2.144 726 D HA -0.157 4.484 4.640 0.001 0.000 0.199 726 D C 2.416 178.713 176.300 -0.006 0.000 0.984 726 D CA 1.846 55.882 54.000 0.059 0.000 0.834 726 D CB -0.227 40.572 40.800 -0.001 0.000 0.955 726 D HN 0.337 nan 8.370 nan 0.000 0.465 727 K N 1.155 121.528 120.400 -0.045 0.000 2.057 727 K HA -0.083 4.238 4.320 0.001 0.000 0.207 727 K C 2.365 178.940 176.600 -0.040 0.000 1.049 727 K CA 1.030 57.286 56.287 -0.052 0.000 0.931 727 K CB -1.202 31.251 32.500 -0.078 0.000 0.714 727 K HN 0.053 nan 8.250 nan 0.000 0.440 728 V N 1.072 120.945 119.914 -0.069 0.000 2.255 728 V HA -0.271 3.849 4.120 0.001 0.000 0.247 728 V C 2.525 178.500 176.094 -0.200 0.000 1.051 728 V CA 1.967 64.157 62.300 -0.183 0.000 1.018 728 V CB -0.348 31.338 31.823 -0.228 0.000 0.641 728 V HN 0.426 nan 8.190 nan 0.000 0.445 729 V N 0.551 120.418 119.914 -0.080 0.000 2.252 729 V HA -0.366 3.754 4.120 0.001 0.000 0.249 729 V C 2.315 178.454 176.094 0.076 0.000 1.056 729 V CA 2.674 64.984 62.300 0.018 0.000 1.022 729 V CB -0.814 31.054 31.823 0.075 0.000 0.641 729 V HN 0.722 nan 8.190 nan 0.000 0.445 730 D N 0.144 120.561 120.400 0.028 0.000 2.117 730 D HA -0.165 4.475 4.640 0.001 0.000 0.197 730 D C 2.195 178.549 176.300 0.090 0.000 0.987 730 D CA 1.728 55.744 54.000 0.027 0.000 0.829 730 D CB -0.066 40.723 40.800 -0.018 0.000 0.961 730 D HN 0.515 nan 8.370 nan 0.000 0.460 731 E N -0.489 119.776 120.200 0.108 0.000 2.110 731 E HA -0.178 4.172 4.350 0.001 0.000 0.193 731 E C 1.642 178.442 176.600 0.333 0.000 0.988 731 E CA 1.172 57.686 56.400 0.189 0.000 0.804 731 E CB -1.141 28.676 29.700 0.195 0.000 0.745 731 E HN 0.514 nan 8.360 nan 0.000 0.458 732 Y N 0.937 121.273 120.300 0.060 0.000 2.490 732 Y HA 0.250 4.801 4.550 0.001 0.000 0.281 732 Y C 1.505 177.453 175.900 0.080 0.000 1.174 732 Y CA -0.226 57.912 58.100 0.065 0.000 1.295 732 Y CB -0.500 38.002 38.460 0.071 0.000 1.062 732 Y HN 0.301 nan 8.280 nan 0.000 0.522 733 S N -1.371 114.475 115.700 0.242 0.000 2.707 733 S HA 0.321 4.792 4.470 0.001 0.000 0.276 733 S C 1.262 175.953 174.600 0.151 0.000 1.179 733 S CA -0.678 57.647 58.200 0.208 0.000 0.992 733 S CB 0.942 64.279 63.200 0.227 0.000 1.030 733 S HN 0.196 nan 8.310 nan 0.000 0.554 734 L N 0.702 122.013 121.223 0.148 0.000 1.973 734 L HA -0.041 4.299 4.340 0.001 0.000 0.208 734 L C 1.044 177.986 176.870 0.120 0.000 1.073 734 L CA 1.171 56.079 54.840 0.113 0.000 0.746 734 L CB -0.841 41.283 42.059 0.108 0.000 0.891 734 L HN 0.790 nan 8.230 nan 0.000 0.433 735 N N 0.436 119.222 118.700 0.143 0.000 3.050 735 N HA -0.044 4.696 4.740 0.001 0.000 0.289 735 N C -0.246 175.323 175.510 0.098 0.000 1.209 735 N CA 0.041 53.169 53.050 0.130 0.000 1.154 735 N CB 0.417 38.998 38.487 0.157 0.000 1.444 735 N HN -0.013 nan 8.380 nan 0.000 0.529 736 S N 0.781 116.534 115.700 0.088 0.000 2.457 736 S HA 0.411 4.881 4.470 0.001 0.000 0.294 736 S C 1.339 175.971 174.600 0.053 0.000 1.201 736 S CA 0.478 58.721 58.200 0.072 0.000 1.112 736 S CB -0.890 62.356 63.200 0.078 0.000 1.018 736 S HN 0.885 nan 8.310 nan 0.000 0.511 737 G N 4.238 113.060 108.800 0.036 0.000 2.231 737 G HA2 -0.166 3.795 3.960 0.001 0.000 0.206 737 G HA3 -0.166 3.795 3.960 0.001 0.000 0.206 737 G C -0.130 174.787 174.900 0.029 0.000 0.996 737 G CA -0.164 44.952 45.100 0.026 0.000 0.645 737 G HN 0.699 nan 8.290 nan 0.000 0.498 738 K N 0.252 120.677 120.400 0.042 0.000 2.166 738 K HA 0.636 4.956 4.320 0.001 0.000 0.245 738 K C 0.365 176.989 176.600 0.040 0.000 0.967 738 K CA -0.770 55.552 56.287 0.059 0.000 0.863 738 K CB 0.841 33.396 32.500 0.091 0.000 1.107 738 K HN 0.034 nan 8.250 nan 0.000 0.436 739 Q N 0.832 120.675 119.800 0.072 0.000 2.451 739 Q HA -0.255 4.086 4.340 0.001 0.000 0.305 739 Q C 0.346 176.345 176.000 -0.001 0.000 1.345 739 Q CA 0.728 56.575 55.803 0.074 0.000 0.854 739 Q CB -1.603 27.178 28.738 0.072 0.000 1.162 739 Q HN 0.667 nan 8.270 nan 0.000 0.440 740 R N -0.573 119.938 120.500 0.019 0.000 2.062 740 R HA -0.069 4.272 4.340 0.001 0.000 0.231 740 R C 1.950 178.263 176.300 0.021 0.000 1.136 740 R CA 1.488 57.574 56.100 -0.024 0.000 0.948 740 R CB -0.296 29.985 30.300 -0.031 0.000 0.845 740 R HN 0.297 nan 8.270 nan 0.000 0.430 741 F N 2.166 122.068 119.950 -0.081 0.000 2.154 741 F HA -0.235 4.292 4.527 0.001 0.000 0.301 741 F C 2.256 178.045 175.800 -0.018 0.000 1.087 741 F CA 1.858 59.811 58.000 -0.079 0.000 1.274 741 F CB -0.163 38.826 39.000 -0.019 0.000 1.009 741 F HN 0.077 nan 8.300 nan 0.000 0.485 742 E N 0.071 120.308 120.200 0.061 0.000 2.152 742 E HA -0.194 4.157 4.350 0.001 0.000 0.192 742 E C 2.025 178.595 176.600 -0.050 0.000 0.983 742 E CA 0.840 57.264 56.400 0.039 0.000 0.818 742 E CB -0.148 29.661 29.700 0.182 0.000 0.758 742 E HN 0.378 nan 8.360 nan 0.000 0.467 743 K N 0.103 120.359 120.400 -0.240 0.000 2.442 743 K HA -0.074 4.246 4.320 0.001 0.000 0.198 743 K C 1.576 178.103 176.600 -0.122 0.000 1.044 743 K CA 1.247 57.247 56.287 -0.478 0.000 0.948 743 K CB 0.002 32.164 32.500 -0.564 0.000 0.762 743 K HN 0.375 nan 8.250 nan 0.000 0.472 744 M N -2.013 117.537 119.600 -0.083 0.000 2.589 744 M HA 0.301 4.781 4.480 0.001 0.000 0.344 744 M C 0.542 176.824 176.300 -0.031 0.000 1.168 744 M CA 0.358 55.642 55.300 -0.026 0.000 0.956 744 M CB 0.531 33.104 32.600 -0.044 0.000 1.370 744 M HN -0.074 nan 8.290 nan 0.000 0.518 745 I N -0.686 119.884 120.570 -0.001 0.000 4.547 745 I HA 0.113 4.284 4.170 0.001 0.000 0.303 745 I C 0.698 176.906 176.117 0.150 0.000 1.188 745 I CA -0.030 61.308 61.300 0.063 0.000 1.320 745 I CB 0.696 38.656 38.000 -0.066 0.000 1.495 745 I HN 0.315 nan 8.210 nan 0.000 0.462 746 S N 1.307 117.113 115.700 0.176 0.000 2.592 746 S HA 0.274 4.744 4.470 0.001 0.000 0.271 746 S C 1.302 175.960 174.600 0.097 0.000 1.326 746 S CA 0.084 58.373 58.200 0.148 0.000 1.024 746 S CB 1.332 64.658 63.200 0.210 0.000 0.921 746 S HN 0.355 nan 8.310 nan 0.000 0.527 747 G N 0.963 109.763 108.800 -0.000 0.000 2.527 747 G HA2 -0.195 3.766 3.960 0.001 0.000 0.219 747 G HA3 -0.195 3.766 3.960 0.001 0.000 0.219 747 G C 1.001 175.857 174.900 -0.073 0.000 1.117 747 G CA 0.768 45.853 45.100 -0.025 0.000 0.759 747 G HN 0.790 nan 8.290 nan 0.000 0.556 748 M N -1.287 118.199 119.600 -0.191 0.000 2.541 748 M HA 0.257 4.738 4.480 0.001 0.000 0.252 748 M C 1.285 177.262 176.300 -0.538 0.000 1.125 748 M CA 0.708 55.758 55.300 -0.417 0.000 1.091 748 M CB 0.353 32.556 32.600 -0.663 0.000 1.420 748 M HN 0.278 nan 8.290 nan 0.000 0.486 749 Y N -1.023 119.308 120.300 0.051 0.000 2.638 749 Y HA 0.211 4.761 4.550 0.001 0.000 0.275 749 Y C 1.728 177.657 175.900 0.047 0.000 1.122 749 Y CA -0.023 58.109 58.100 0.053 0.000 1.266 749 Y CB -0.282 38.208 38.460 0.051 0.000 1.317 749 Y HN -0.013 nan 8.280 nan 0.000 0.501 750 L N -0.146 121.184 121.223 0.178 0.000 2.013 750 L HA -0.230 4.110 4.340 0.001 0.000 0.212 750 L C 2.566 179.475 176.870 0.064 0.000 1.073 750 L CA 1.807 56.713 54.840 0.111 0.000 0.753 750 L CB -1.157 40.961 42.059 0.099 0.000 0.890 750 L HN 0.412 nan 8.230 nan 0.000 0.432 751 G N -0.673 108.180 108.800 0.089 0.000 2.442 751 G HA2 -0.237 3.724 3.960 0.001 0.000 0.219 751 G HA3 -0.237 3.724 3.960 0.001 0.000 0.219 751 G C 1.478 176.433 174.900 0.093 0.000 1.141 751 G CA 0.435 45.605 45.100 0.118 0.000 0.763 751 G HN 0.287 nan 8.290 nan 0.000 0.554 752 E N 0.261 120.523 120.200 0.103 0.000 2.208 752 E HA 0.002 4.352 4.350 0.001 0.000 0.193 752 E C 2.586 179.195 176.600 0.015 0.000 0.988 752 E CA 0.254 56.709 56.400 0.092 0.000 0.828 752 E CB -0.048 29.735 29.700 0.138 0.000 0.763 752 E HN 0.551 nan 8.360 nan 0.000 0.478 753 I N 0.100 120.669 120.570 -0.001 0.000 2.193 753 I HA -0.197 3.974 4.170 0.001 0.000 0.240 753 I C 2.338 178.300 176.117 -0.259 0.000 1.084 753 I CA 0.606 61.870 61.300 -0.060 0.000 1.365 753 I CB -0.422 37.590 38.000 0.020 0.000 1.064 753 I HN -0.084 nan 8.210 nan 0.000 0.410 754 V N 1.184 120.926 119.914 -0.285 0.000 2.392 754 V HA -0.306 3.814 4.120 0.001 0.000 0.249 754 V C 2.658 178.459 176.094 -0.489 0.000 1.059 754 V CA 2.035 64.062 62.300 -0.456 0.000 1.051 754 V CB -0.888 30.634 31.823 -0.501 0.000 0.658 754 V HN 0.423 nan 8.190 nan 0.000 0.455 755 R N 0.205 120.522 120.500 -0.305 0.000 2.092 755 R HA -0.125 4.216 4.340 0.001 0.000 0.231 755 R C 2.115 178.326 176.300 -0.147 0.000 1.119 755 R CA 1.569 57.610 56.100 -0.098 0.000 0.970 755 R CB -0.216 30.199 30.300 0.191 0.000 0.864 755 R HN 0.566 nan 8.270 nan 0.000 0.440 756 N N 0.255 118.816 118.700 -0.232 0.000 2.409 756 N HA -0.074 4.667 4.740 0.001 0.000 0.179 756 N C 1.714 176.855 175.510 -0.615 0.000 1.032 756 N CA 0.948 53.833 53.050 -0.275 0.000 0.898 756 N CB 0.142 38.540 38.487 -0.149 0.000 0.971 756 N HN 0.314 nan 8.380 nan 0.000 0.441 757 I N 1.091 121.105 120.570 -0.927 0.000 2.277 757 I HA -0.181 3.990 4.170 0.001 0.000 0.243 757 I C 2.169 177.720 176.117 -0.943 0.000 1.094 757 I CA 0.714 61.209 61.300 -1.342 0.000 1.393 757 I CB -0.199 37.036 38.000 -1.274 0.000 1.078 757 I HN 0.013 nan 8.210 nan 0.000 0.417 758 L N 0.605 121.476 121.223 -0.586 0.000 2.042 758 L HA -0.225 4.116 4.340 0.001 0.000 0.210 758 L C 2.578 179.390 176.870 -0.097 0.000 1.076 758 L CA 1.551 56.230 54.840 -0.268 0.000 0.749 758 L CB -0.633 41.395 42.059 -0.052 0.000 0.893 758 L HN 0.250 nan 8.230 nan 0.000 0.432 759 I N 0.131 120.645 120.570 -0.094 0.000 2.264 759 I HA -0.322 3.848 4.170 0.001 0.000 0.248 759 I C 2.218 178.325 176.117 -0.017 0.000 1.111 759 I CA 1.595 62.894 61.300 -0.002 0.000 1.382 759 I CB -0.357 37.644 38.000 0.002 0.000 1.060 759 I HN 0.326 nan 8.210 nan 0.000 0.418 760 D N 0.885 121.225 120.400 -0.101 0.000 2.077 760 D HA -0.216 4.425 4.640 0.001 0.000 0.193 760 D C 2.110 178.446 176.300 0.060 0.000 0.989 760 D CA 1.616 55.609 54.000 -0.011 0.000 0.831 760 D CB -0.047 40.752 40.800 -0.002 0.000 0.979 760 D HN 0.091 nan 8.370 nan 0.000 0.449 761 F N 0.846 120.724 119.950 -0.121 0.000 2.154 761 F HA -0.152 4.375 4.527 0.001 0.000 0.301 761 F C 2.709 178.373 175.800 -0.227 0.000 1.087 761 F CA 1.191 59.090 58.000 -0.169 0.000 1.274 761 F CB -1.445 37.541 39.000 -0.025 0.000 1.009 761 F HN 0.054 nan 8.300 nan 0.000 0.485 762 T N -0.155 114.450 114.554 0.085 0.000 2.708 762 T HA -0.180 4.171 4.350 0.001 0.000 0.266 762 T C 2.021 176.718 174.700 -0.005 0.000 1.037 762 T CA 1.406 63.543 62.100 0.061 0.000 1.146 762 T CB -0.184 68.785 68.868 0.169 0.000 0.865 762 T HN 0.196 nan 8.240 nan 0.000 0.435 763 K N 1.021 121.409 120.400 -0.019 0.000 2.103 763 K HA -0.073 4.248 4.320 0.001 0.000 0.207 763 K C 2.091 178.613 176.600 -0.130 0.000 1.048 763 K CA 1.151 57.413 56.287 -0.042 0.000 0.930 763 K CB -0.077 32.412 32.500 -0.018 0.000 0.716 763 K HN 0.286 nan 8.250 nan 0.000 0.444 764 K N -0.400 119.823 120.400 -0.297 0.000 2.555 764 K HA -0.003 4.318 4.320 0.001 0.000 0.193 764 K C 1.020 177.330 176.600 -0.483 0.000 1.032 764 K CA 0.573 56.501 56.287 -0.597 0.000 1.004 764 K CB 0.233 31.869 32.500 -1.439 0.000 0.804 764 K HN 0.394 nan 8.250 nan 0.000 0.496 765 G N 1.036 109.708 108.800 -0.213 0.000 2.184 765 G HA2 -0.264 3.696 3.960 0.001 0.000 0.264 765 G HA3 -0.264 3.696 3.960 0.001 0.000 0.264 765 G C 0.601 175.556 174.900 0.092 0.000 0.975 765 G CA 0.178 45.260 45.100 -0.030 0.000 0.642 765 G HN 0.268 nan 8.290 nan 0.000 0.536 766 F N -0.649 119.249 119.950 -0.087 0.000 2.604 766 F HA 0.539 5.067 4.527 0.001 0.000 0.298 766 F C 1.235 176.915 175.800 -0.199 0.000 1.131 766 F CA 0.412 58.297 58.000 -0.193 0.000 1.457 766 F CB -0.290 38.498 39.000 -0.354 0.000 1.095 766 F HN 0.320 nan 8.300 nan 0.000 0.574 767 L N -2.539 118.691 121.223 0.011 0.000 2.469 767 L HA 0.473 4.814 4.340 0.001 0.000 0.256 767 L C -0.758 176.036 176.870 -0.127 0.000 1.006 767 L CA -0.800 53.917 54.840 -0.206 0.000 0.832 767 L CB 0.982 42.835 42.059 -0.344 0.000 1.421 767 L HN -0.101 nan 8.230 nan 0.000 0.410 768 F N 1.741 121.725 119.950 0.056 0.000 3.019 768 F HA -0.194 4.333 4.527 0.001 0.000 0.259 768 F C 1.455 177.273 175.800 0.030 0.000 0.976 768 F CA 1.646 59.669 58.000 0.038 0.000 0.876 768 F CB -2.424 36.599 39.000 0.038 0.000 0.784 768 F HN 0.879 nan 8.300 nan 0.000 0.786 769 R N -1.639 118.946 120.500 0.142 0.000 3.322 769 R HA 0.110 4.450 4.340 0.001 0.000 0.253 769 R C 2.069 178.422 176.300 0.088 0.000 0.987 769 R CA 1.676 57.833 56.100 0.096 0.000 0.666 769 R CB -2.606 27.746 30.300 0.086 0.000 1.072 769 R HN 2.392 nan 8.270 nan 0.000 0.447 770 G N -4.120 104.730 108.800 0.084 0.000 2.200 770 G HA2 0.141 4.102 3.960 0.001 0.000 0.267 770 G HA3 0.141 4.102 3.960 0.001 0.000 0.267 770 G C 0.420 175.363 174.900 0.071 0.000 0.993 770 G CA 1.681 46.817 45.100 0.059 0.000 0.701 770 G HN 2.540 nan 8.290 nan 0.000 0.524 771 Q N -0.320 119.543 119.800 0.105 0.000 2.322 771 Q HA 0.761 5.102 4.340 0.001 0.000 0.265 771 Q C 0.171 176.227 176.000 0.093 0.000 0.985 771 Q CA -0.487 55.364 55.803 0.080 0.000 0.849 771 Q CB 0.676 29.450 28.738 0.059 0.000 1.274 771 Q HN 0.975 nan 8.270 nan 0.000 0.449 772 I N 2.442 123.051 120.570 0.065 0.000 2.278 772 I HA 0.264 4.434 4.170 0.001 0.000 0.296 772 I C 0.749 176.874 176.117 0.014 0.000 1.121 772 I CA -0.579 60.755 61.300 0.057 0.000 1.267 772 I CB 0.518 38.551 38.000 0.055 0.000 1.447 772 I HN 0.616 nan 8.210 nan 0.000 0.509 773 S N 2.561 118.245 115.700 -0.026 0.000 2.579 773 S HA 0.132 4.603 4.470 0.001 0.000 0.275 773 S C 1.008 175.578 174.600 -0.050 0.000 1.345 773 S CA -0.591 57.572 58.200 -0.063 0.000 1.031 773 S CB 1.698 64.815 63.200 -0.138 0.000 0.892 773 S HN 0.643 nan 8.310 nan 0.000 0.529 774 E N 2.186 122.357 120.200 -0.048 0.000 2.070 774 E HA -0.095 4.256 4.350 0.001 0.000 0.197 774 E C -0.707 175.862 176.600 -0.053 0.000 1.004 774 E CA 1.963 58.341 56.400 -0.038 0.000 0.805 774 E CB -1.146 28.531 29.700 -0.040 0.000 0.744 774 E HN 0.675 nan 8.360 nan 0.000 0.451 775 P HA -0.175 nan 4.420 nan 0.000 0.218 775 P C 1.478 178.716 177.300 -0.104 0.000 1.148 775 P CA 0.917 63.946 63.100 -0.118 0.000 0.822 775 P CB 0.038 31.634 31.700 -0.172 0.000 0.784 776 L N 0.234 121.407 121.223 -0.084 0.000 2.131 776 L HA -0.105 4.235 4.340 0.001 0.000 0.210 776 L C 2.559 179.455 176.870 0.044 0.000 1.092 776 L CA 2.613 57.450 54.840 -0.004 0.000 0.759 776 L CB -1.605 40.462 42.059 0.012 0.000 0.903 776 L HN -0.109 nan 8.230 nan 0.000 0.435 777 K N -1.340 119.073 120.400 0.023 0.000 2.459 777 K HA 0.157 4.478 4.320 0.001 0.000 0.193 777 K C 1.020 177.647 176.600 0.046 0.000 1.030 777 K CA 0.939 57.254 56.287 0.047 0.000 1.026 777 K CB -1.448 31.075 32.500 0.039 0.000 0.809 777 K HN 0.429 nan 8.250 nan 0.000 0.504 778 T N 2.551 117.113 114.554 0.014 0.000 2.752 778 T HA 0.210 4.560 4.350 0.001 0.000 0.295 778 T C 0.050 174.769 174.700 0.032 0.000 0.923 778 T CA -0.428 61.675 62.100 0.006 0.000 1.112 778 T CB 0.341 69.187 68.868 -0.036 0.000 0.884 778 T HN 0.411 nan 8.240 nan 0.000 0.525 779 R N 1.916 122.447 120.500 0.052 0.000 2.640 779 R HA 0.302 4.642 4.340 0.001 0.000 0.270 779 R C 1.555 177.884 176.300 0.049 0.000 1.024 779 R CA 0.755 56.900 56.100 0.074 0.000 1.085 779 R CB 0.058 30.406 30.300 0.079 0.000 0.963 779 R HN 1.019 nan 8.270 nan 0.000 0.426 780 G N 2.450 111.293 108.800 0.071 0.000 2.166 780 G HA2 -0.307 3.653 3.960 0.001 0.000 0.260 780 G HA3 -0.307 3.653 3.960 0.001 0.000 0.260 780 G C 0.666 175.591 174.900 0.041 0.000 0.986 780 G CA 0.403 45.535 45.100 0.055 0.000 0.683 780 G HN 0.645 nan 8.290 nan 0.000 0.527 781 I N -0.484 120.087 120.570 0.001 0.000 2.423 781 I HA 0.127 4.297 4.170 0.001 0.000 0.254 781 I C 0.972 176.953 176.117 -0.226 0.000 1.151 781 I CA 0.801 62.008 61.300 -0.156 0.000 1.421 781 I CB -0.139 37.684 38.000 -0.294 0.000 1.079 781 I HN 0.175 nan 8.210 nan 0.000 0.431 782 F N 2.093 122.100 119.950 0.095 0.000 2.467 782 F HA 0.314 4.842 4.527 0.001 0.000 0.349 782 F C 0.891 176.757 175.800 0.111 0.000 1.182 782 F CA -0.637 57.443 58.000 0.133 0.000 1.279 782 F CB -0.483 38.564 39.000 0.079 0.000 1.626 782 F HN -0.002 nan 8.300 nan 0.000 0.596 783 E N 0.183 120.516 120.200 0.222 0.000 2.392 783 E HA 0.048 4.398 4.350 0.001 0.000 0.256 783 E C 1.092 177.697 176.600 0.008 0.000 1.145 783 E CA -0.069 56.350 56.400 0.032 0.000 0.929 783 E CB 0.793 30.395 29.700 -0.164 0.000 0.998 783 E HN 0.376 nan 8.360 nan 0.000 0.442 784 T N 1.705 116.232 114.554 -0.044 0.000 2.803 784 T HA -0.172 4.178 4.350 0.001 0.000 0.269 784 T C 1.354 176.000 174.700 -0.089 0.000 1.052 784 T CA 1.334 63.418 62.100 -0.026 0.000 1.136 784 T CB -0.040 68.803 68.868 -0.042 0.000 0.864 784 T HN 0.367 nan 8.240 nan 0.000 0.467 785 K N 0.276 120.530 120.400 -0.244 0.000 2.097 785 K HA -0.052 4.268 4.320 0.001 0.000 0.206 785 K C 1.835 178.268 176.600 -0.278 0.000 1.049 785 K CA 1.228 57.304 56.287 -0.352 0.000 0.933 785 K CB -0.265 31.856 32.500 -0.633 0.000 0.717 785 K HN 0.323 nan 8.250 nan 0.000 0.442 786 F N 1.152 121.108 119.950 0.011 0.000 2.220 786 F HA 0.069 4.596 4.527 0.001 0.000 0.290 786 F C 2.142 177.971 175.800 0.050 0.000 1.080 786 F CA 0.270 58.287 58.000 0.028 0.000 1.318 786 F CB -0.887 38.138 39.000 0.042 0.000 1.063 786 F HN -0.142 nan 8.300 nan 0.000 0.498 787 L N -0.482 120.892 121.223 0.253 0.000 2.013 787 L HA -0.294 4.046 4.340 0.001 0.000 0.212 787 L C 2.471 179.349 176.870 0.014 0.000 1.073 787 L CA 1.754 56.700 54.840 0.176 0.000 0.753 787 L CB -1.042 41.131 42.059 0.191 0.000 0.890 787 L HN 0.126 nan 8.230 nan 0.000 0.432 788 S N -0.845 114.810 115.700 -0.075 0.000 2.383 788 S HA -0.254 4.217 4.470 0.001 0.000 0.229 788 S C 1.894 176.373 174.600 -0.203 0.000 1.030 788 S CA 1.349 59.370 58.200 -0.298 0.000 1.002 788 S CB -0.215 62.863 63.200 -0.203 0.000 0.829 788 S HN 0.456 nan 8.310 nan 0.000 0.467 789 Q N 0.347 120.123 119.800 -0.041 0.000 2.020 789 Q HA 0.021 4.362 4.340 0.001 0.000 0.198 789 Q C 2.255 178.260 176.000 0.007 0.000 0.974 789 Q CA 1.112 56.917 55.803 0.004 0.000 0.829 789 Q CB -0.329 28.474 28.738 0.109 0.000 0.894 789 Q HN 0.473 nan 8.270 nan 0.000 0.433 790 I N 1.315 121.919 120.570 0.057 0.000 2.087 790 I HA -0.323 3.847 4.170 0.001 0.000 0.240 790 I C 1.644 177.777 176.117 0.026 0.000 1.054 790 I CA 1.521 62.857 61.300 0.061 0.000 1.311 790 I CB -0.268 37.799 38.000 0.110 0.000 1.024 790 I HN 0.241 nan 8.210 nan 0.000 0.402 791 E N 0.206 120.400 120.200 -0.010 0.000 2.526 791 E HA -0.040 4.311 4.350 0.001 0.000 0.198 791 E C 0.688 177.270 176.600 -0.031 0.000 1.091 791 E CA -0.085 56.320 56.400 0.008 0.000 0.880 791 E CB -0.053 29.643 29.700 -0.007 0.000 0.873 791 E HN 0.259 nan 8.360 nan 0.000 0.527 792 S N 0.659 116.317 115.700 -0.071 0.000 2.584 792 S HA 0.025 4.495 4.470 0.001 0.000 0.273 792 S C 0.565 175.173 174.600 0.014 0.000 1.311 792 S CA -0.702 57.451 58.200 -0.079 0.000 1.034 792 S CB 0.910 64.060 63.200 -0.083 0.000 0.939 792 S HN 0.008 nan 8.310 nan 0.000 0.513 793 D N 3.102 123.525 120.400 0.038 0.000 2.305 793 D HA 0.085 4.725 4.640 0.001 0.000 0.206 793 D C 2.315 178.629 176.300 0.023 0.000 0.974 793 D CA 0.573 54.605 54.000 0.053 0.000 0.871 793 D CB -0.096 40.751 40.800 0.077 0.000 0.947 793 D HN 0.608 nan 8.370 nan 0.000 0.516 794 R N 0.565 121.068 120.500 0.006 0.000 2.189 794 R HA 0.060 4.401 4.340 0.001 0.000 0.218 794 R C 1.317 177.618 176.300 0.001 0.000 1.074 794 R CA 0.403 56.504 56.100 0.001 0.000 0.991 794 R CB -1.006 29.290 30.300 -0.008 0.000 0.883 794 R HN 0.116 nan 8.270 nan 0.000 0.457 795 L N 1.683 122.908 121.223 0.002 0.000 2.360 795 L HA 0.461 4.801 4.340 0.001 0.000 0.276 795 L C 0.836 177.712 176.870 0.010 0.000 1.121 795 L CA -0.371 54.473 54.840 0.005 0.000 0.845 795 L CB 0.875 42.938 42.059 0.007 0.000 1.143 795 L HN 0.492 nan 8.230 nan 0.000 0.452 796 A N 3.437 126.261 122.820 0.007 0.000 2.310 796 A HA 0.191 4.511 4.320 0.001 0.000 0.260 796 A C 0.904 178.495 177.584 0.010 0.000 1.112 796 A CA -0.311 51.731 52.037 0.007 0.000 0.804 796 A CB 0.360 19.362 19.000 0.003 0.000 1.081 796 A HN 0.731 nan 8.150 nan 0.000 0.499 797 L N 0.325 121.554 121.223 0.011 0.000 2.217 797 L HA -0.033 4.307 4.340 0.001 0.000 0.211 797 L C 2.795 179.673 176.870 0.012 0.000 1.107 797 L CA 2.176 57.025 54.840 0.015 0.000 0.783 797 L CB -0.762 41.306 42.059 0.015 0.000 0.919 797 L HN 0.762 nan 8.230 nan 0.000 0.442 798 L N -1.727 119.499 121.223 0.006 0.000 1.989 798 L HA -0.298 4.042 4.340 0.001 0.000 0.211 798 L C 2.375 179.246 176.870 0.001 0.000 1.071 798 L CA 2.701 57.542 54.840 0.001 0.000 0.749 798 L CB -1.618 40.439 42.059 -0.003 0.000 0.890 798 L HN 0.494 nan 8.230 nan 0.000 0.431 799 Q N -0.632 119.169 119.800 0.002 0.000 2.084 799 Q HA -0.133 4.207 4.340 0.001 0.000 0.202 799 Q C 2.387 178.389 176.000 0.004 0.000 0.978 799 Q CA 1.556 57.359 55.803 0.001 0.000 0.844 799 Q CB -0.325 28.415 28.738 0.004 0.000 0.898 799 Q HN 0.684 nan 8.270 nan 0.000 0.426 800 V N 1.157 121.079 119.914 0.014 0.000 2.407 800 V HA -0.251 3.870 4.120 0.001 0.000 0.248 800 V C 2.362 178.471 176.094 0.025 0.000 1.055 800 V CA 1.725 64.040 62.300 0.025 0.000 1.049 800 V CB -0.634 31.210 31.823 0.036 0.000 0.662 800 V HN 0.340 nan 8.190 nan 0.000 0.455 801 R N 0.303 120.816 120.500 0.022 0.000 2.092 801 R HA -0.132 4.209 4.340 0.001 0.000 0.231 801 R C 2.247 178.546 176.300 -0.002 0.000 1.119 801 R CA 1.613 57.729 56.100 0.026 0.000 0.970 801 R CB -0.336 29.977 30.300 0.023 0.000 0.864 801 R HN 0.488 nan 8.270 nan 0.000 0.440 802 A N 1.363 124.172 122.820 -0.018 0.000 1.873 802 A HA -0.120 4.201 4.320 0.001 0.000 0.215 802 A C 2.226 179.759 177.584 -0.084 0.000 1.186 802 A CA 1.257 53.269 52.037 -0.042 0.000 0.616 802 A CB -0.512 18.468 19.000 -0.034 0.000 0.823 802 A HN 0.314 nan 8.150 nan 0.000 0.442 803 I N -0.399 120.115 120.570 -0.094 0.000 2.151 803 I HA -0.309 3.862 4.170 0.001 0.000 0.243 803 I C 2.432 178.398 176.117 -0.251 0.000 1.080 803 I CA 1.428 62.611 61.300 -0.196 0.000 1.339 803 I CB -0.351 37.566 38.000 -0.138 0.000 1.039 803 I HN 0.294 nan 8.210 nan 0.000 0.409 804 L N -0.157 120.991 121.223 -0.125 0.000 2.131 804 L HA -0.245 4.096 4.340 0.001 0.000 0.210 804 L C 2.622 179.406 176.870 -0.144 0.000 1.092 804 L CA 1.394 56.178 54.840 -0.094 0.000 0.759 804 L CB -0.413 41.684 42.059 0.064 0.000 0.903 804 L HN 0.336 nan 8.230 nan 0.000 0.435 805 Q N -1.343 118.388 119.800 -0.115 0.000 2.187 805 Q HA -0.208 4.132 4.340 0.001 0.000 0.199 805 Q C 2.306 178.214 176.000 -0.152 0.000 0.957 805 Q CA 1.368 57.101 55.803 -0.117 0.000 0.857 805 Q CB -0.058 28.636 28.738 -0.073 0.000 0.929 805 Q HN 0.446 nan 8.270 nan 0.000 0.453 806 Q N 1.092 120.784 119.800 -0.180 0.000 2.084 806 Q HA -0.101 4.239 4.340 0.001 0.000 0.202 806 Q C 1.947 177.792 176.000 -0.258 0.000 0.978 806 Q CA 1.000 56.681 55.803 -0.204 0.000 0.844 806 Q CB -0.511 28.084 28.738 -0.239 0.000 0.898 806 Q HN 0.592 nan 8.270 nan 0.000 0.426 807 L N -0.741 120.273 121.223 -0.348 0.000 2.549 807 L HA 0.163 4.504 4.340 0.001 0.000 0.229 807 L C 2.035 178.740 176.870 -0.276 0.000 1.158 807 L CA 0.960 55.575 54.840 -0.375 0.000 0.842 807 L CB -0.742 41.016 42.059 -0.501 0.000 0.952 807 L HN 0.691 nan 8.230 nan 0.000 0.452 808 G N 0.052 108.716 108.800 -0.227 0.000 2.194 808 G HA2 -0.249 3.712 3.960 0.001 0.000 0.236 808 G HA3 -0.249 3.712 3.960 0.001 0.000 0.236 808 G C 0.222 174.988 174.900 -0.223 0.000 0.987 808 G CA -0.377 44.608 45.100 -0.191 0.000 0.635 808 G HN 0.213 nan 8.290 nan 0.000 0.520 809 L N 1.272 122.324 121.223 -0.286 0.000 2.319 809 L HA 0.490 4.831 4.340 0.001 0.000 0.280 809 L C 1.354 178.037 176.870 -0.313 0.000 1.099 809 L CA 0.224 54.812 54.840 -0.420 0.000 0.828 809 L CB 0.694 42.397 42.059 -0.593 0.000 1.150 809 L HN 0.343 nan 8.230 nan 0.000 0.442 810 N N 2.461 120.991 118.700 -0.283 0.000 3.127 810 N HA 0.079 4.820 4.740 0.001 0.000 0.317 810 N C 0.382 175.911 175.510 0.032 0.000 1.242 810 N CA 0.119 53.105 53.050 -0.106 0.000 1.203 810 N CB 0.182 38.631 38.487 -0.064 0.000 1.462 810 N HN 0.590 nan 8.380 nan 0.000 0.546 811 S N -0.126 115.625 115.700 0.086 0.000 2.592 811 S HA 0.478 4.949 4.470 0.001 0.000 0.271 811 S C 0.932 175.632 174.600 0.167 0.000 1.326 811 S CA 0.268 58.652 58.200 0.308 0.000 1.024 811 S CB 0.512 63.915 63.200 0.339 0.000 0.921 811 S HN 0.867 nan 8.310 nan 0.000 0.527 812 T N 0.306 114.953 114.554 0.155 0.000 2.870 812 T HA 0.337 4.687 4.350 0.001 0.000 0.277 812 T C 1.346 176.082 174.700 0.061 0.000 1.000 812 T CA -0.575 61.573 62.100 0.080 0.000 0.982 812 T CB 0.340 69.246 68.868 0.063 0.000 1.249 812 T HN 0.608 nan 8.240 nan 0.000 0.589 813 C N 0.349 119.670 119.300 0.035 0.000 2.435 813 C HA -0.005 4.456 4.460 0.001 0.000 0.279 813 C C 2.442 177.446 174.990 0.023 0.000 1.321 813 C CA 0.966 60.000 59.018 0.027 0.000 1.752 813 C CB -1.401 26.349 27.740 0.017 0.000 1.959 813 C HN 0.894 nan 8.230 nan 0.000 0.500 814 D N 0.766 121.176 120.400 0.017 0.000 2.117 814 D HA -0.091 4.550 4.640 0.001 0.000 0.198 814 D C 1.817 178.098 176.300 -0.031 0.000 0.982 814 D CA 1.186 55.185 54.000 -0.001 0.000 0.828 814 D CB -0.486 40.313 40.800 -0.002 0.000 0.967 814 D HN 0.464 nan 8.370 nan 0.000 0.464 815 D N 0.115 120.496 120.400 -0.033 0.000 2.104 815 D HA -0.094 4.546 4.640 0.001 0.000 0.194 815 D C 1.990 178.270 176.300 -0.033 0.000 0.994 815 D CA 0.875 54.809 54.000 -0.110 0.000 0.830 815 D CB -0.345 40.422 40.800 -0.055 0.000 0.959 815 D HN 0.057 nan 8.370 nan 0.000 0.452 816 S N 0.365 116.092 115.700 0.046 0.000 2.440 816 S HA -0.106 4.364 4.470 0.001 0.000 0.238 816 S C 2.128 176.745 174.600 0.029 0.000 1.010 816 S CA 0.487 58.723 58.200 0.061 0.000 0.972 816 S CB -0.036 63.199 63.200 0.058 0.000 0.774 816 S HN 0.305 nan 8.310 nan 0.000 0.501 817 I N 0.197 120.770 120.570 0.004 0.000 2.339 817 I HA -0.059 4.111 4.170 0.001 0.000 0.245 817 I C 2.204 178.309 176.117 -0.020 0.000 1.096 817 I CA 0.536 61.834 61.300 -0.003 0.000 1.408 817 I CB -0.181 37.817 38.000 -0.004 0.000 1.092 817 I HN 0.243 nan 8.210 nan 0.000 0.423 818 L N 0.665 121.859 121.223 -0.048 0.000 2.027 818 L HA -0.126 4.215 4.340 0.001 0.000 0.206 818 L C 2.395 179.244 176.870 -0.036 0.000 1.074 818 L CA 1.805 56.610 54.840 -0.058 0.000 0.745 818 L CB -0.568 41.429 42.059 -0.104 0.000 0.898 818 L HN -0.030 nan 8.230 nan 0.000 0.433 819 V N 0.275 120.162 119.914 -0.045 0.000 2.252 819 V HA -0.384 3.737 4.120 0.001 0.000 0.249 819 V C 2.658 178.729 176.094 -0.038 0.000 1.056 819 V CA 2.359 64.637 62.300 -0.036 0.000 1.022 819 V CB -0.872 30.991 31.823 0.067 0.000 0.641 819 V HN 0.581 nan 8.190 nan 0.000 0.445 820 K N -0.453 119.947 120.400 0.001 0.000 2.113 820 K HA -0.228 4.093 4.320 0.001 0.000 0.208 820 K C 2.142 178.739 176.600 -0.004 0.000 1.047 820 K CA 2.136 58.429 56.287 0.011 0.000 0.928 820 K CB -0.356 32.159 32.500 0.025 0.000 0.716 820 K HN 0.519 nan 8.250 nan 0.000 0.446 821 T N 0.363 114.908 114.554 -0.015 0.000 2.737 821 T HA -0.095 4.255 4.350 0.001 0.000 0.265 821 T C 1.802 176.478 174.700 -0.040 0.000 1.038 821 T CA 1.394 63.483 62.100 -0.018 0.000 1.144 821 T CB -0.110 68.748 68.868 -0.016 0.000 0.866 821 T HN 0.022 nan 8.240 nan 0.000 0.434 822 V N 1.090 120.963 119.914 -0.068 0.000 2.287 822 V HA -0.235 3.886 4.120 0.001 0.000 0.248 822 V C 2.817 178.800 176.094 -0.186 0.000 1.053 822 V CA 1.524 63.729 62.300 -0.158 0.000 1.027 822 V CB -0.882 30.803 31.823 -0.229 0.000 0.646 822 V HN 0.607 nan 8.190 nan 0.000 0.447 823 C N 0.819 120.037 119.300 -0.138 0.000 2.422 823 C HA -0.058 4.402 4.460 0.001 0.000 0.279 823 C C 2.855 177.847 174.990 0.003 0.000 1.305 823 C CA 0.809 59.777 59.018 -0.083 0.000 1.757 823 C CB -1.712 26.012 27.740 -0.027 0.000 1.962 823 C HN 0.704 nan 8.230 nan 0.000 0.499 824 G N 0.117 108.927 108.800 0.015 0.000 2.464 824 G HA2 -0.036 3.925 3.960 0.001 0.000 0.217 824 G HA3 -0.036 3.925 3.960 0.001 0.000 0.217 824 G C 1.581 176.485 174.900 0.007 0.000 1.138 824 G CA 1.078 46.209 45.100 0.051 0.000 0.793 824 G HN 0.418 nan 8.290 nan 0.000 0.539 825 V N 0.666 120.561 119.914 -0.033 0.000 2.358 825 V HA -0.136 3.985 4.120 0.001 0.000 0.246 825 V C 2.931 179.027 176.094 0.002 0.000 1.047 825 V CA 1.311 63.600 62.300 -0.017 0.000 1.035 825 V CB -0.427 31.365 31.823 -0.052 0.000 0.658 825 V HN 0.226 nan 8.190 nan 0.000 0.452 826 V N 1.273 121.143 119.914 -0.075 0.000 2.270 826 V HA -0.213 3.908 4.120 0.001 0.000 0.245 826 V C 2.760 178.863 176.094 0.015 0.000 1.043 826 V CA 2.331 64.614 62.300 -0.028 0.000 1.014 826 V CB -0.871 30.881 31.823 -0.118 0.000 0.645 826 V HN 0.742 nan 8.190 nan 0.000 0.447 827 S N -0.052 115.652 115.700 0.006 0.000 2.402 827 S HA -0.251 4.219 4.470 0.001 0.000 0.229 827 S C 1.980 176.512 174.600 -0.114 0.000 1.021 827 S CA 1.694 59.875 58.200 -0.031 0.000 0.974 827 S CB -0.382 62.791 63.200 -0.044 0.000 0.800 827 S HN 0.614 nan 8.310 nan 0.000 0.484 828 K N 1.487 121.847 120.400 -0.067 0.000 2.001 828 K HA -0.045 4.276 4.320 0.001 0.000 0.208 828 K C 2.629 179.156 176.600 -0.122 0.000 1.048 828 K CA 0.850 57.074 56.287 -0.105 0.000 0.932 828 K CB -0.279 32.190 32.500 -0.052 0.000 0.715 828 K HN 0.211 nan 8.250 nan 0.000 0.437 829 R N 0.506 120.984 120.500 -0.037 0.000 2.117 829 R HA -0.164 4.176 4.340 0.001 0.000 0.243 829 R C 1.977 178.232 176.300 -0.075 0.000 1.143 829 R CA 1.578 57.671 56.100 -0.012 0.000 0.968 829 R CB -0.335 30.025 30.300 0.100 0.000 0.863 829 R HN 0.348 nan 8.270 nan 0.000 0.444 830 A N 0.372 123.134 122.820 -0.096 0.000 1.854 830 A HA -0.010 4.311 4.320 0.001 0.000 0.214 830 A C 2.349 179.713 177.584 -0.367 0.000 1.192 830 A CA 1.492 53.465 52.037 -0.108 0.000 0.611 830 A CB -0.728 18.333 19.000 0.102 0.000 0.832 830 A HN 0.438 nan 8.150 nan 0.000 0.442 831 A N -0.721 121.632 122.820 -0.777 0.000 2.024 831 A HA -0.211 4.110 4.320 0.001 0.000 0.220 831 A C 2.123 179.398 177.584 -0.514 0.000 1.164 831 A CA 1.688 52.989 52.037 -1.226 0.000 0.643 831 A CB -0.490 17.877 19.000 -1.055 0.000 0.806 831 A HN 0.681 nan 8.150 nan 0.000 0.451 832 Q N -0.684 118.937 119.800 -0.298 0.000 2.062 832 Q HA 0.025 4.366 4.340 0.001 0.000 0.196 832 Q C 2.138 178.090 176.000 -0.080 0.000 0.967 832 Q CA 1.071 56.787 55.803 -0.145 0.000 0.832 832 Q CB -0.250 28.432 28.738 -0.093 0.000 0.899 832 Q HN 0.661 nan 8.270 nan 0.000 0.442 833 L N 0.282 121.452 121.223 -0.088 0.000 2.046 833 L HA -0.222 4.119 4.340 0.001 0.000 0.208 833 L C 2.801 179.667 176.870 -0.008 0.000 1.077 833 L CA 0.876 55.705 54.840 -0.018 0.000 0.747 833 L CB -0.517 41.477 42.059 -0.109 0.000 0.896 833 L HN 0.431 nan 8.230 nan 0.000 0.432 834 C N 0.286 119.528 119.300 -0.097 0.000 2.422 834 C HA -0.083 4.378 4.460 0.001 0.000 0.279 834 C C 2.809 177.881 174.990 0.137 0.000 1.305 834 C CA 0.864 59.897 59.018 0.025 0.000 1.757 834 C CB -1.281 26.620 27.740 0.268 0.000 1.962 834 C HN 0.633 nan 8.230 nan 0.000 0.499 835 G N -0.168 108.679 108.800 0.078 0.000 2.422 835 G HA2 0.093 4.053 3.960 0.001 0.000 0.218 835 G HA3 0.093 4.053 3.960 0.001 0.000 0.218 835 G C 1.943 176.910 174.900 0.112 0.000 1.140 835 G CA 0.966 46.138 45.100 0.119 0.000 0.775 835 G HN 0.734 nan 8.290 nan 0.000 0.545 836 A N 0.992 123.860 122.820 0.079 0.000 1.873 836 A HA 0.208 4.529 4.320 0.001 0.000 0.215 836 A C 2.699 180.304 177.584 0.035 0.000 1.186 836 A CA 2.012 54.087 52.037 0.064 0.000 0.616 836 A CB -1.104 17.945 19.000 0.082 0.000 0.823 836 A HN 0.461 nan 8.150 nan 0.000 0.442 837 G N -0.624 108.176 108.800 0.000 0.000 2.433 837 G HA2 -0.253 3.708 3.960 0.001 0.000 0.216 837 G HA3 -0.253 3.708 3.960 0.001 0.000 0.216 837 G C 1.528 176.531 174.900 0.172 0.000 1.186 837 G CA 1.625 46.635 45.100 -0.149 0.000 0.779 837 G HN 0.424 nan 8.290 nan 0.000 0.543 838 M N 1.730 121.535 119.600 0.342 0.000 2.202 838 M HA 0.127 4.607 4.480 0.001 0.000 0.262 838 M C 2.555 178.966 176.300 0.184 0.000 1.063 838 M CA 1.352 56.894 55.300 0.403 0.000 1.097 838 M CB -0.504 32.382 32.600 0.477 0.000 1.382 838 M HN 0.244 nan 8.290 nan 0.000 0.413 839 A N -0.502 122.397 122.820 0.131 0.000 1.898 839 A HA 0.102 4.422 4.320 0.001 0.000 0.216 839 A C 2.371 179.956 177.584 0.001 0.000 1.181 839 A CA 1.853 53.927 52.037 0.062 0.000 0.620 839 A CB -1.335 17.698 19.000 0.054 0.000 0.819 839 A HN 0.617 nan 8.150 nan 0.000 0.442 840 A N -0.468 122.342 122.820 -0.018 0.000 1.902 840 A HA -0.014 4.306 4.320 0.001 0.000 0.217 840 A C 2.220 179.731 177.584 -0.121 0.000 1.181 840 A CA 1.773 53.764 52.037 -0.077 0.000 0.623 840 A CB -0.989 17.938 19.000 -0.122 0.000 0.818 840 A HN 0.383 nan 8.150 nan 0.000 0.443 841 V N 0.473 120.317 119.914 -0.115 0.000 2.287 841 V HA -0.276 3.845 4.120 0.001 0.000 0.248 841 V C 2.692 178.620 176.094 -0.277 0.000 1.053 841 V CA 2.192 64.323 62.300 -0.283 0.000 1.027 841 V CB -0.958 30.734 31.823 -0.217 0.000 0.646 841 V HN 0.593 nan 8.190 nan 0.000 0.447 842 V N -2.303 117.522 119.914 -0.149 0.000 2.809 842 V HA -0.100 4.020 4.120 0.001 0.000 0.256 842 V C 2.211 178.237 176.094 -0.114 0.000 1.080 842 V CA 1.343 63.566 62.300 -0.128 0.000 1.102 842 V CB -0.716 31.054 31.823 -0.088 0.000 0.705 842 V HN 0.515 nan 8.190 nan 0.000 0.475 843 E N 1.496 121.634 120.200 -0.102 0.000 2.007 843 E HA -0.246 4.104 4.350 0.001 0.000 0.194 843 E C 2.159 178.704 176.600 -0.091 0.000 0.999 843 E CA 1.727 58.079 56.400 -0.081 0.000 0.811 843 E CB -0.300 29.358 29.700 -0.070 0.000 0.762 843 E HN 0.643 nan 8.360 nan 0.000 0.450 844 K N 0.749 121.075 120.400 -0.123 0.000 2.173 844 K HA -0.168 4.153 4.320 0.001 0.000 0.207 844 K C 2.132 178.679 176.600 -0.088 0.000 1.046 844 K CA 1.126 57.344 56.287 -0.115 0.000 0.929 844 K CB -0.126 32.271 32.500 -0.172 0.000 0.720 844 K HN 0.087 nan 8.250 nan 0.000 0.453 845 I N -0.270 120.228 120.570 -0.119 0.000 2.333 845 I HA -0.205 3.966 4.170 0.001 0.000 0.246 845 I C 2.624 178.715 176.117 -0.044 0.000 1.106 845 I CA 0.856 62.121 61.300 -0.059 0.000 1.411 845 I CB -0.264 37.693 38.000 -0.071 0.000 1.082 845 I HN 0.245 nan 8.210 nan 0.000 0.420 846 R N 1.098 121.561 120.500 -0.061 0.000 2.092 846 R HA -0.155 4.186 4.340 0.001 0.000 0.231 846 R C 2.051 178.333 176.300 -0.030 0.000 1.119 846 R CA 1.403 57.473 56.100 -0.050 0.000 0.970 846 R CB 0.075 30.336 30.300 -0.064 0.000 0.864 846 R HN 0.400 nan 8.270 nan 0.000 0.440 847 E N -0.265 119.916 120.200 -0.031 0.000 2.076 847 E HA -0.096 4.255 4.350 0.001 0.000 0.190 847 E C 1.698 178.291 176.600 -0.011 0.000 0.979 847 E CA 0.663 57.052 56.400 -0.020 0.000 0.807 847 E CB -0.013 29.673 29.700 -0.024 0.000 0.761 847 E HN 0.306 nan 8.360 nan 0.000 0.454 848 N N 1.067 119.763 118.700 -0.007 0.000 2.166 848 N HA -0.111 4.630 4.740 0.001 0.000 0.186 848 N C 1.114 176.627 175.510 0.004 0.000 1.019 848 N CA 1.023 54.077 53.050 0.007 0.000 0.856 848 N CB -0.019 38.486 38.487 0.030 0.000 0.993 848 N HN 0.090 nan 8.380 nan 0.000 0.426 849 R N -0.082 120.418 120.500 0.000 0.000 2.388 849 R HA 0.251 4.592 4.340 0.001 0.000 0.247 849 R C 0.471 176.770 176.300 -0.002 0.000 0.931 849 R CA 0.098 56.198 56.100 -0.001 0.000 1.082 849 R CB 0.129 30.427 30.300 -0.002 0.000 1.135 849 R HN 0.018 nan 8.270 nan 0.000 0.525 850 G N 2.065 110.864 108.800 -0.002 0.000 2.306 850 G HA2 -0.255 3.706 3.960 0.001 0.000 0.274 850 G HA3 -0.255 3.706 3.960 0.001 0.000 0.274 850 G C -0.459 174.443 174.900 0.004 0.000 0.890 850 G CA 0.334 45.434 45.100 -0.000 0.000 1.298 850 G HN 0.138 nan 8.290 nan 0.000 0.445 851 L N -0.903 120.323 121.223 0.004 0.000 2.354 851 L HA 0.748 5.089 4.340 0.001 0.000 0.264 851 L C 1.230 178.117 176.870 0.028 0.000 1.008 851 L CA 0.054 54.903 54.840 0.015 0.000 0.819 851 L CB 1.179 43.246 42.059 0.014 0.000 1.339 851 L HN 0.332 nan 8.230 nan 0.000 0.420 852 D N -1.030 119.399 120.400 0.048 0.000 2.149 852 D HA -0.085 4.555 4.640 0.001 0.000 0.201 852 D C 0.314 176.697 176.300 0.137 0.000 0.972 852 D CA 1.536 55.577 54.000 0.068 0.000 0.835 852 D CB -0.112 40.721 40.800 0.056 0.000 0.966 852 D HN 0.708 nan 8.370 nan 0.000 0.476 853 H N -2.125 116.943 119.070 -0.003 0.000 2.856 853 H HA 0.569 5.127 4.556 0.003 0.000 0.355 853 H C -1.764 173.561 175.328 -0.005 0.000 1.079 853 H CA -0.765 55.281 56.048 -0.003 0.000 1.240 853 H CB 1.753 31.515 29.762 -0.000 0.000 1.701 853 H HN 0.231 nan 8.280 nan 0.000 0.527 854 L N 3.977 124.944 121.223 -0.426 0.000 2.329 854 L HA 0.519 4.859 4.340 0.001 0.000 0.279 854 L C -1.086 175.609 176.870 -0.293 0.000 1.014 854 L CA -0.426 54.252 54.840 -0.270 0.000 0.814 854 L CB 1.357 43.301 42.059 -0.191 0.000 1.257 854 L HN 0.713 nan 8.230 nan 0.000 0.424 855 N N 3.477 122.108 118.700 -0.116 0.000 2.682 855 N HA 0.507 5.248 4.740 0.001 0.000 0.252 855 N C -1.471 174.003 175.510 -0.060 0.000 1.081 855 N CA -0.079 52.934 53.050 -0.060 0.000 0.844 855 N CB 1.631 40.122 38.487 0.007 0.000 1.167 855 N HN 0.401 nan 8.380 nan 0.000 0.523 856 V N 1.229 121.092 119.914 -0.085 0.000 2.914 856 V HA 0.650 4.770 4.120 0.001 0.000 0.314 856 V C -0.402 175.619 176.094 -0.121 0.000 1.084 856 V CA -0.286 61.959 62.300 -0.092 0.000 0.963 856 V CB 2.216 33.978 31.823 -0.102 0.000 1.025 856 V HN 0.532 nan 8.190 nan 0.000 0.432 857 T N 4.131 118.612 114.554 -0.122 0.000 2.925 857 T HA 0.688 5.038 4.350 0.001 0.000 0.285 857 T C -0.802 173.762 174.700 -0.226 0.000 1.021 857 T CA -0.405 61.601 62.100 -0.157 0.000 1.042 857 T CB 1.648 70.463 68.868 -0.088 0.000 1.037 857 T HN 0.526 nan 8.240 nan 0.000 0.481 858 V N 1.605 121.310 119.914 -0.348 0.000 2.487 858 V HA 0.656 4.777 4.120 0.001 0.000 0.298 858 V C 0.623 176.576 176.094 -0.234 0.000 1.028 858 V CA -0.962 61.103 62.300 -0.392 0.000 0.860 858 V CB 1.800 33.131 31.823 -0.821 0.000 0.991 858 V HN 1.079 nan 8.190 nan 0.000 0.427 859 G N 3.736 112.446 108.800 -0.150 0.000 2.339 859 G HA2 0.565 4.525 3.960 0.001 0.000 0.287 859 G HA3 0.565 4.525 3.960 0.001 0.000 0.287 859 G C -0.641 174.196 174.900 -0.105 0.000 1.163 859 G CA -0.193 44.853 45.100 -0.089 0.000 0.872 859 G HN 0.647 nan 8.290 nan 0.000 0.464 860 V N 1.896 121.752 119.914 -0.097 0.000 2.769 860 V HA 0.742 4.863 4.120 0.001 0.000 0.312 860 V C -0.735 175.251 176.094 -0.179 0.000 1.061 860 V CA -1.019 61.149 62.300 -0.220 0.000 0.931 860 V CB 2.199 33.703 31.823 -0.532 0.000 1.010 860 V HN 0.705 nan 8.190 nan 0.000 0.433 861 D N 0.232 120.517 120.400 -0.192 0.000 2.648 861 D HA 0.669 5.310 4.640 0.001 0.000 0.244 861 D C -0.534 175.727 176.300 -0.066 0.000 1.244 861 D CA 0.733 54.685 54.000 -0.079 0.000 0.772 861 D CB 2.436 43.202 40.800 -0.056 0.000 1.379 861 D HN 1.231 nan 8.370 nan 0.000 0.428 862 G N -0.057 108.740 108.800 -0.006 0.000 2.521 862 G HA2 0.093 4.054 3.960 0.001 0.000 0.589 862 G HA3 0.093 4.054 3.960 0.001 0.000 0.589 862 G C 0.742 175.656 174.900 0.024 0.000 1.501 862 G CA 0.373 45.469 45.100 -0.007 0.000 0.887 862 G HN 0.482 nan 8.290 nan 0.000 0.654 863 T N 0.618 115.167 114.554 -0.008 0.000 2.720 863 T HA -0.196 4.155 4.350 0.001 0.000 0.268 863 T C 2.430 177.115 174.700 -0.024 0.000 1.037 863 T CA 2.006 64.096 62.100 -0.016 0.000 1.144 863 T CB -0.144 68.702 68.868 -0.037 0.000 0.864 863 T HN 1.021 nan 8.240 nan 0.000 0.444 864 L N 0.202 121.390 121.223 -0.058 0.000 1.994 864 L HA 0.039 4.380 4.340 0.001 0.000 0.208 864 L C 2.395 179.184 176.870 -0.136 0.000 1.071 864 L CA 1.632 56.408 54.840 -0.105 0.000 0.745 864 L CB -1.231 40.700 42.059 -0.213 0.000 0.892 864 L HN 0.360 nan 8.230 nan 0.000 0.431 865 Y N 0.241 120.365 120.300 -0.292 0.000 2.165 865 Y HA -0.294 4.257 4.550 0.001 0.000 0.286 865 Y C 2.481 178.344 175.900 -0.063 0.000 1.155 865 Y CA 2.224 60.191 58.100 -0.222 0.000 1.164 865 Y CB -0.069 38.309 38.460 -0.135 0.000 0.978 865 Y HN 0.194 nan 8.280 nan 0.000 0.513 866 K N -0.431 120.026 120.400 0.096 0.000 2.103 866 K HA -0.060 4.261 4.320 0.001 0.000 0.204 866 K C 1.880 178.461 176.600 -0.030 0.000 1.052 866 K CA 1.514 57.830 56.287 0.048 0.000 0.945 866 K CB -0.062 32.487 32.500 0.082 0.000 0.722 866 K HN 0.345 nan 8.250 nan 0.000 0.443 867 L N -0.615 120.587 121.223 -0.035 0.000 2.221 867 L HA 0.024 4.364 4.340 0.001 0.000 0.202 867 L C 1.329 178.150 176.870 -0.080 0.000 1.074 867 L CA -0.053 54.753 54.840 -0.057 0.000 0.795 867 L CB -0.282 41.741 42.059 -0.060 0.000 0.960 867 L HN 0.269 nan 8.230 nan 0.000 0.458 868 H N 2.074 121.073 119.070 -0.118 0.000 3.001 868 H HA -0.024 4.533 4.556 0.001 0.000 0.334 868 H C -1.678 173.539 175.328 -0.185 0.000 1.034 868 H CA -0.804 55.173 56.048 -0.117 0.000 1.420 868 H CB 1.528 31.266 29.762 -0.040 0.000 1.405 868 H HN -0.063 nan 8.280 nan 0.000 0.593 869 P HA -0.055 nan 4.420 nan 0.000 0.225 869 P C 0.605 177.701 177.300 -0.339 0.000 1.156 869 P CA 1.173 63.992 63.100 -0.467 0.000 0.787 869 P CB 0.507 31.720 31.700 -0.811 0.000 0.802 870 H N -3.074 116.168 119.070 0.287 0.000 2.426 870 H HA 0.175 4.731 4.556 0.001 0.000 0.286 870 H C 1.676 177.026 175.328 0.036 0.000 0.990 870 H CA -0.241 55.892 56.048 0.143 0.000 1.237 870 H CB -1.092 28.755 29.762 0.141 0.000 1.466 870 H HN -0.067 nan 8.280 nan 0.000 0.525 871 F N 3.048 122.991 119.950 -0.011 0.000 2.138 871 F HA -0.433 4.095 4.527 0.001 0.000 0.290 871 F C 2.681 178.334 175.800 -0.245 0.000 1.133 871 F CA 2.897 60.774 58.000 -0.205 0.000 1.280 871 F CB -0.630 38.200 39.000 -0.282 0.000 0.924 871 F HN 0.226 nan 8.300 nan 0.000 0.528 872 S N 0.024 115.696 115.700 -0.047 0.000 2.365 872 S HA -0.337 4.134 4.470 0.001 0.000 0.225 872 S C 2.133 176.258 174.600 -0.792 0.000 1.039 872 S CA 1.551 59.437 58.200 -0.523 0.000 1.033 872 S CB -0.966 61.663 63.200 -0.951 0.000 0.887 872 S HN 0.596 nan 8.310 nan 0.000 0.447 873 R N 1.142 121.370 120.500 -0.453 0.000 2.070 873 R HA -0.010 4.330 4.340 0.001 0.000 0.233 873 R C 2.384 178.567 176.300 -0.195 0.000 1.137 873 R CA 1.816 57.739 56.100 -0.295 0.000 0.945 873 R CB -0.475 29.762 30.300 -0.106 0.000 0.845 873 R HN 0.519 nan 8.270 nan 0.000 0.430 874 I N 0.503 120.970 120.570 -0.172 0.000 2.179 874 I HA -0.313 3.857 4.170 0.001 0.000 0.242 874 I C 2.765 178.790 176.117 -0.153 0.000 1.088 874 I CA 1.110 62.321 61.300 -0.149 0.000 1.357 874 I CB -0.317 37.574 38.000 -0.182 0.000 1.051 874 I HN 0.354 nan 8.210 nan 0.000 0.409 875 M N 0.495 119.955 119.600 -0.233 0.000 2.108 875 M HA -0.263 4.218 4.480 0.001 0.000 0.261 875 M C 2.335 178.644 176.300 0.015 0.000 1.066 875 M CA 2.157 57.375 55.300 -0.138 0.000 1.107 875 M CB -0.821 31.708 32.600 -0.119 0.000 1.356 875 M HN 0.363 nan 8.290 nan 0.000 0.406 876 H N -0.539 118.425 119.070 -0.176 0.000 2.353 876 H HA -0.160 4.396 4.556 0.001 0.000 0.300 876 H C 2.340 177.652 175.328 -0.026 0.000 1.090 876 H CA 1.626 57.575 56.048 -0.166 0.000 1.327 876 H CB -0.145 29.504 29.762 -0.189 0.000 1.383 876 H HN 0.635 nan 8.280 nan 0.000 0.508 877 Q N 0.999 120.853 119.800 0.090 0.000 2.050 877 Q HA -0.163 4.177 4.340 0.001 0.000 0.202 877 Q C 2.380 178.409 176.000 0.049 0.000 0.980 877 Q CA 2.005 57.841 55.803 0.055 0.000 0.840 877 Q CB -1.454 27.293 28.738 0.015 0.000 0.898 877 Q HN 0.488 nan 8.270 nan 0.000 0.424 878 T N 0.470 115.041 114.554 0.029 0.000 2.665 878 T HA -0.158 4.193 4.350 0.001 0.000 0.268 878 T C 2.049 176.787 174.700 0.064 0.000 1.035 878 T CA 1.648 63.765 62.100 0.029 0.000 1.151 878 T CB -0.506 68.364 68.868 0.002 0.000 0.862 878 T HN 0.354 nan 8.240 nan 0.000 0.438 879 V N 1.472 121.451 119.914 0.108 0.000 2.407 879 V HA -0.184 3.936 4.120 0.001 0.000 0.248 879 V C 2.505 178.662 176.094 0.106 0.000 1.055 879 V CA 1.742 64.125 62.300 0.139 0.000 1.049 879 V CB -0.541 31.433 31.823 0.252 0.000 0.662 879 V HN 0.462 nan 8.190 nan 0.000 0.455 880 K N 0.690 121.152 120.400 0.103 0.000 2.002 880 K HA -0.241 4.080 4.320 0.001 0.000 0.209 880 K C 2.237 178.873 176.600 0.060 0.000 1.048 880 K CA 1.982 58.319 56.287 0.083 0.000 0.930 880 K CB -0.195 32.355 32.500 0.084 0.000 0.714 880 K HN 0.740 nan 8.250 nan 0.000 0.438 881 E N 0.517 120.747 120.200 0.049 0.000 2.208 881 E HA -0.161 4.190 4.350 0.001 0.000 0.193 881 E C 1.973 178.592 176.600 0.031 0.000 0.988 881 E CA 0.769 57.190 56.400 0.036 0.000 0.828 881 E CB -0.168 29.547 29.700 0.025 0.000 0.763 881 E HN 0.336 nan 8.360 nan 0.000 0.478 882 L N 0.649 121.893 121.223 0.035 0.000 2.209 882 L HA 0.070 4.411 4.340 0.001 0.000 0.207 882 L C 0.557 177.442 176.870 0.024 0.000 1.094 882 L CA 0.407 55.264 54.840 0.028 0.000 0.790 882 L CB 0.221 42.299 42.059 0.031 0.000 0.932 882 L HN -0.001 nan 8.230 nan 0.000 0.447 883 S N -0.550 115.168 115.700 0.031 0.000 2.259 883 S HA 0.277 4.747 4.470 0.001 0.000 0.181 883 S C -1.944 172.672 174.600 0.026 0.000 1.589 883 S CA -0.794 57.417 58.200 0.019 0.000 1.234 883 S CB 1.456 64.660 63.200 0.007 0.000 1.119 883 S HN -0.057 nan 8.310 nan 0.000 0.458 884 P HA -0.017 nan 4.420 nan 0.000 0.221 884 P C 1.364 178.728 177.300 0.108 0.000 1.150 884 P CA 0.885 64.024 63.100 0.065 0.000 0.800 884 P CB 0.093 31.826 31.700 0.054 0.000 0.787 885 K N -1.326 119.117 120.400 0.071 0.000 2.505 885 K HA 0.174 4.494 4.320 0.001 0.000 0.192 885 K C 0.525 176.986 176.600 -0.231 0.000 1.025 885 K CA 0.537 56.889 56.287 0.109 0.000 1.086 885 K CB -1.355 31.188 32.500 0.072 0.000 0.840 885 K HN 0.225 nan 8.250 nan 0.000 0.514 886 C N -0.466 118.710 119.300 -0.206 0.000 2.634 886 C HA 0.701 5.162 4.460 0.001 0.000 0.313 886 C C 0.143 175.035 174.990 -0.163 0.000 1.198 886 C CA -0.678 58.148 59.018 -0.320 0.000 1.605 886 C CB 2.176 29.821 27.740 -0.159 0.000 2.196 886 C HN 0.385 nan 8.230 nan 0.000 0.486 887 T N 1.964 116.422 114.554 -0.160 0.000 3.241 887 T HA 0.301 4.652 4.350 0.001 0.000 0.387 887 T C -0.163 174.526 174.700 -0.018 0.000 1.451 887 T CA -0.177 61.922 62.100 -0.002 0.000 1.363 887 T CB 0.222 69.146 68.868 0.094 0.000 1.074 887 T HN 0.461 nan 8.240 nan 0.000 0.598 888 V N 2.452 122.364 119.914 -0.003 0.000 2.614 888 V HA 0.374 4.495 4.120 0.001 0.000 0.291 888 V C 0.557 176.657 176.094 0.010 0.000 1.049 888 V CA -0.285 61.991 62.300 -0.041 0.000 1.038 888 V CB 1.186 32.991 31.823 -0.030 0.000 0.980 888 V HN 0.755 nan 8.190 nan 0.000 0.481 889 S N 4.019 119.674 115.700 -0.076 0.000 2.482 889 S HA 0.725 5.195 4.470 0.001 0.000 0.303 889 S C -0.856 173.696 174.600 -0.080 0.000 1.091 889 S CA -0.341 57.863 58.200 0.006 0.000 1.057 889 S CB 1.079 64.277 63.200 -0.003 0.000 1.031 889 S HN 0.430 nan 8.310 nan 0.000 0.485 890 F N 2.104 121.987 119.950 -0.111 0.000 2.436 890 F HA 0.580 5.107 4.527 0.000 0.000 0.340 890 F C -0.207 175.606 175.800 0.021 0.000 1.113 890 F CA -0.835 57.129 58.000 -0.061 0.000 1.022 890 F CB 1.161 40.103 39.000 -0.097 0.000 1.128 890 F HN 0.330 nan 8.300 nan 0.000 0.466 891 L N 4.914 126.223 121.223 0.143 0.000 2.333 891 L HA 0.576 4.916 4.340 0.001 0.000 0.280 891 L C -1.232 175.709 176.870 0.118 0.000 1.004 891 L CA -0.813 54.095 54.840 0.113 0.000 0.820 891 L CB 1.285 43.369 42.059 0.042 0.000 1.247 891 L HN 0.552 nan 8.230 nan 0.000 0.416 892 L N 4.114 125.428 121.223 0.152 0.000 2.319 892 L HA 0.384 4.725 4.340 0.001 0.000 0.280 892 L C 0.206 177.121 176.870 0.075 0.000 1.099 892 L CA 0.635 55.560 54.840 0.141 0.000 0.828 892 L CB 1.278 43.454 42.059 0.195 0.000 1.150 892 L HN 0.702 nan 8.230 nan 0.000 0.442 893 S N 3.640 119.362 115.700 0.037 0.000 2.448 893 S HA 0.201 4.672 4.470 0.001 0.000 0.279 893 S C 0.760 175.373 174.600 0.021 0.000 1.195 893 S CA -0.215 57.994 58.200 0.015 0.000 1.051 893 S CB 0.198 63.390 63.200 -0.014 0.000 0.948 893 S HN 0.859 nan 8.310 nan 0.000 0.493 894 E N 2.626 122.838 120.200 0.020 0.000 2.476 894 E HA 0.068 4.419 4.350 0.001 0.000 0.199 894 E C -0.031 176.568 176.600 -0.001 0.000 1.021 894 E CA 0.103 56.513 56.400 0.017 0.000 0.907 894 E CB 0.370 30.085 29.700 0.025 0.000 0.974 894 E HN 0.631 nan 8.360 nan 0.000 0.489 895 D N 0.159 120.550 120.400 -0.015 0.000 2.395 895 D HA 0.155 4.795 4.640 0.001 0.000 0.213 895 D C 0.678 176.956 176.300 -0.036 0.000 1.110 895 D CA 0.438 54.419 54.000 -0.033 0.000 0.835 895 D CB 0.788 41.555 40.800 -0.056 0.000 0.965 895 D HN 0.179 nan 8.370 nan 0.000 0.505 896 G N 0.646 109.429 108.800 -0.027 0.000 2.860 896 G HA2 -0.281 3.679 3.960 0.001 0.000 0.553 896 G HA3 -0.281 3.679 3.960 0.001 0.000 0.553 896 G C 0.925 175.804 174.900 -0.036 0.000 1.439 896 G CA -0.065 45.017 45.100 -0.029 0.000 0.879 896 G HN 0.080 nan 8.290 nan 0.000 0.545 897 S N 0.486 116.167 115.700 -0.032 0.000 2.474 897 S HA 0.038 4.509 4.470 0.001 0.000 0.235 897 S C 2.635 177.219 174.600 -0.027 0.000 0.997 897 S CA 1.850 60.030 58.200 -0.033 0.000 0.949 897 S CB -0.370 62.812 63.200 -0.030 0.000 0.766 897 S HN 1.605 nan 8.310 nan 0.000 0.517 898 G N 2.433 111.220 108.800 -0.022 0.000 2.491 898 G HA2 -0.310 3.651 3.960 0.001 0.000 0.218 898 G HA3 -0.310 3.651 3.960 0.001 0.000 0.218 898 G C 1.308 176.185 174.900 -0.039 0.000 1.180 898 G CA 1.179 46.269 45.100 -0.016 0.000 0.774 898 G HN 0.478 nan 8.290 nan 0.000 0.562 899 K N 0.468 120.826 120.400 -0.070 0.000 2.032 899 K HA -0.077 4.243 4.320 0.001 0.000 0.209 899 K C 2.653 179.175 176.600 -0.131 0.000 1.048 899 K CA 1.640 57.854 56.287 -0.121 0.000 0.927 899 K CB -0.728 31.668 32.500 -0.173 0.000 0.712 899 K HN 0.257 nan 8.250 nan 0.000 0.441 900 G N 0.328 109.069 108.800 -0.097 0.000 2.422 900 G HA2 -0.234 3.727 3.960 0.001 0.000 0.218 900 G HA3 -0.234 3.727 3.960 0.001 0.000 0.218 900 G C 1.553 176.409 174.900 -0.073 0.000 1.146 900 G CA 0.895 45.949 45.100 -0.077 0.000 0.769 900 G HN 0.453 nan 8.290 nan 0.000 0.547 901 A N 0.749 123.537 122.820 -0.054 0.000 2.067 901 A HA 0.387 4.708 4.320 0.001 0.000 0.219 901 A C 2.662 180.196 177.584 -0.082 0.000 1.158 901 A CA 1.946 53.963 52.037 -0.033 0.000 0.661 901 A CB -0.402 18.610 19.000 0.020 0.000 0.801 901 A HN 0.643 nan 8.150 nan 0.000 0.452 902 A N -0.162 122.580 122.820 -0.130 0.000 1.874 902 A HA 0.115 4.435 4.320 0.001 0.000 0.214 902 A C 2.032 179.316 177.584 -0.501 0.000 1.189 902 A CA 1.124 52.996 52.037 -0.276 0.000 0.615 902 A CB -0.536 18.381 19.000 -0.137 0.000 0.830 902 A HN 0.424 nan 8.150 nan 0.000 0.443 903 L N -0.315 120.738 121.223 -0.283 0.000 2.187 903 L HA -0.172 4.168 4.340 0.001 0.000 0.213 903 L C 2.338 179.094 176.870 -0.190 0.000 1.100 903 L CA 1.001 55.715 54.840 -0.209 0.000 0.765 903 L CB -0.464 41.555 42.059 -0.067 0.000 0.904 903 L HN 0.385 nan 8.230 nan 0.000 0.437 904 I N -0.892 119.582 120.570 -0.161 0.000 2.286 904 I HA -0.208 3.963 4.170 0.001 0.000 0.245 904 I C 2.335 178.383 176.117 -0.115 0.000 1.104 904 I CA 1.255 62.497 61.300 -0.096 0.000 1.397 904 I CB -0.316 37.656 38.000 -0.046 0.000 1.072 904 I HN 0.187 nan 8.210 nan 0.000 0.417 905 T N 0.799 115.230 114.554 -0.205 0.000 2.951 905 T HA -0.029 4.322 4.350 0.001 0.000 0.268 905 T C 2.013 176.589 174.700 -0.206 0.000 1.073 905 T CA 1.059 63.067 62.100 -0.153 0.000 1.134 905 T CB -0.146 68.677 68.868 -0.074 0.000 0.884 905 T HN 0.422 nan 8.240 nan 0.000 0.479 906 A N 1.477 123.978 122.820 -0.531 0.000 1.845 906 A HA 0.083 4.404 4.320 0.001 0.000 0.215 906 A C 2.677 180.282 177.584 0.035 0.000 1.195 906 A CA 1.913 53.820 52.037 -0.217 0.000 0.616 906 A CB -1.311 17.552 19.000 -0.227 0.000 0.832 906 A HN 0.456 nan 8.150 nan 0.000 0.443 907 V N -0.651 119.255 119.914 -0.014 0.000 2.626 907 V HA 0.077 4.197 4.120 0.001 0.000 0.252 907 V C 2.465 178.581 176.094 0.037 0.000 1.067 907 V CA 2.582 64.898 62.300 0.026 0.000 1.081 907 V CB -1.429 30.401 31.823 0.013 0.000 0.686 907 V HN 0.530 nan 8.190 nan 0.000 0.468 908 G N -0.976 107.840 108.800 0.026 0.000 2.408 908 G HA2 -0.116 3.844 3.960 0.001 0.000 0.217 908 G HA3 -0.116 3.844 3.960 0.001 0.000 0.217 908 G C 1.696 176.639 174.900 0.072 0.000 1.150 908 G CA 1.297 46.423 45.100 0.044 0.000 0.776 908 G HN 0.436 nan 8.290 nan 0.000 0.542 909 V N 0.593 120.576 119.914 0.115 0.000 2.719 909 V HA 0.056 4.177 4.120 0.001 0.000 0.252 909 V C 2.630 178.787 176.094 0.105 0.000 1.065 909 V CA 1.517 63.901 62.300 0.141 0.000 1.086 909 V CB -0.289 31.683 31.823 0.249 0.000 0.700 909 V HN 0.436 nan 8.190 nan 0.000 0.467 910 R N -0.210 120.348 120.500 0.098 0.000 2.377 910 R HA 0.019 4.360 4.340 0.001 0.000 0.207 910 R C 0.168 176.498 176.300 0.050 0.000 1.075 910 R CA 1.295 57.439 56.100 0.073 0.000 1.035 910 R CB -0.225 30.116 30.300 0.068 0.000 0.857 910 R HN 0.473 nan 8.270 nan 0.000 0.475 911 L N 0.000 121.250 121.223 0.044 0.000 2.949 911 L HA 0.000 4.341 4.340 0.001 0.000 0.249 911 L CA 0.000 54.857 54.840 0.029 0.000 0.813 911 L CB 0.000 42.072 42.059 0.022 0.000 0.961 911 L HN 0.000 nan 8.230 nan 0.000 0.502