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 1ox4_1_A DATA FIRST_RESID -3 DATA SEQUENCE GSHXMPVVHV IDVESGNLQS LTNAIEHLGY EVQLVKSPKD FNISGTSRLI DATA SEQUENCE LPGVGNYGHF VDNLFNRGFE KPIREYIESG KPIMGICVGL QALFAGSVES DATA SEQUENCE PKSTGLNYID FKLSRFDDSE KPVPEIGWNS CIPSENLFFG LDPYKRYYFV DATA SEQUENCE HSFAAILNSE KKKNLENDGW KIAKAKYGSE EFIAAVNKNN IFATQFHPEK DATA SEQUENCE SGKAGLNVIE NFLKQQSPPI PNYSAEEKEL LMNDYSNYGL TRRIIACLDV DATA SEQUENCE RTNDQGDLVV TKGDXXXXXX XXXXXXXXXL GKPVQLAQKY YQQGADEVTF DATA SEQUENCE LNITXXXXCP LKDTPMLEVL KQAAKTVFVP LTVGGGIKDI VDVDGTKIPA DATA SEQUENCE LEVASLYFRS GADKVSIGTD AVYAAEKYYE LGNRGDGTSP IETISKAYGA DATA SEQUENCE QAVVISVDPK RVYVNSQADT KNKVFETEYP GPNGEKYCWY QCTIKGGRES DATA SEQUENCE RDLGVWELTR ACEALGAGEI LLNCIDKDGS NSGYDLELIE HVKDAVKIPV DATA SEQUENCE IASSGAGVPE HFEEAFLKTR ADACLGAGMF HRGEFTVNDV KEYLLEHGLK DATA SEQUENCE VRMD 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 -3 G HA2 0.000 nan 3.960 nan 0.000 0.244 -3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -3 G C 0.000 174.987 174.900 0.146 0.000 0.946 -3 G CA 0.000 45.197 45.100 0.162 0.000 0.502 -2 S N -0.020 115.800 115.700 0.201 0.000 2.423 -2 S HA 0.149 4.618 4.470 -0.000 0.000 0.243 -2 S C 0.466 175.141 174.600 0.124 0.000 0.939 -2 S CA 0.329 58.601 58.200 0.119 0.000 1.552 -2 S CB -0.468 62.786 63.200 0.089 0.000 1.245 -2 S HN 0.854 nan 8.310 nan 0.000 0.635 2 P HA 0.260 nan 4.420 nan 0.000 0.265 2 P C -1.012 176.320 177.300 0.053 0.000 1.187 2 P CA -0.320 62.760 63.100 -0.034 0.000 0.766 2 P CB 0.544 32.233 31.700 -0.018 0.000 0.820 3 V N 3.785 123.754 119.914 0.091 0.000 2.483 3 V HA 0.320 4.440 4.120 -0.000 0.000 0.295 3 V C 0.092 176.230 176.094 0.073 0.000 1.035 3 V CA -0.604 61.725 62.300 0.049 0.000 0.896 3 V CB 2.138 33.945 31.823 -0.028 0.000 0.986 3 V HN 0.210 nan 8.190 nan 0.000 0.447 4 V N 3.939 123.862 119.914 0.015 0.000 2.384 4 V HA 0.412 4.532 4.120 -0.000 0.000 0.287 4 V C -0.662 175.370 176.094 -0.104 0.000 1.020 4 V CA -0.723 61.590 62.300 0.021 0.000 0.850 4 V CB 1.370 33.206 31.823 0.022 0.000 0.987 4 V HN 0.896 nan 8.190 nan 0.000 0.436 5 H N 2.557 121.632 119.070 0.008 0.000 2.517 5 H HA 0.598 5.154 4.556 -0.000 0.000 0.317 5 H C -0.416 174.840 175.328 -0.121 0.000 1.080 5 H CA -0.299 55.715 56.048 -0.056 0.000 1.301 5 H CB 1.612 31.321 29.762 -0.088 0.000 1.425 5 H HN 0.430 nan 8.280 nan 0.000 0.471 6 V N 5.645 125.535 119.914 -0.040 0.000 2.378 6 V HA 0.178 4.298 4.120 -0.000 0.000 0.288 6 V C 0.328 176.329 176.094 -0.155 0.000 1.016 6 V CA -0.672 61.572 62.300 -0.094 0.000 0.840 6 V CB 1.133 32.919 31.823 -0.062 0.000 0.994 6 V HN 0.720 nan 8.190 nan 0.000 0.431 7 I N 4.299 124.718 120.570 -0.250 0.000 2.494 7 I HA 0.112 4.282 4.170 -0.000 0.000 0.289 7 I C 0.026 175.983 176.117 -0.266 0.000 1.106 7 I CA 0.431 61.502 61.300 -0.382 0.000 1.369 7 I CB 0.364 38.022 38.000 -0.571 0.000 1.410 7 I HN 0.612 nan 8.210 nan 0.000 0.523 8 D N 6.357 126.635 120.400 -0.204 0.000 2.392 8 D HA 0.189 4.829 4.640 -0.000 0.000 0.228 8 D C 0.648 176.888 176.300 -0.100 0.000 1.074 8 D CA -0.577 53.360 54.000 -0.106 0.000 0.838 8 D CB 1.649 42.423 40.800 -0.043 0.000 1.067 8 D HN 0.297 nan 8.370 nan 0.000 0.511 9 V N 0.756 120.613 119.914 -0.095 0.000 3.646 9 V HA 0.219 4.339 4.120 -0.000 0.000 0.277 9 V C 0.180 176.258 176.094 -0.026 0.000 1.274 9 V CA -0.057 62.190 62.300 -0.089 0.000 1.164 9 V CB -1.415 30.306 31.823 -0.169 0.000 0.926 9 V HN 0.731 nan 8.190 nan 0.000 0.442 10 E N 0.240 120.440 120.200 0.000 0.000 2.246 10 E HA -0.192 4.158 4.350 -0.000 0.000 0.211 10 E C 0.098 176.729 176.600 0.051 0.000 1.278 10 E CA 0.783 57.202 56.400 0.031 0.000 0.694 10 E CB -1.709 28.013 29.700 0.037 0.000 1.166 10 E HN 0.740 nan 8.360 nan 0.000 0.370 11 S N 0.072 115.810 115.700 0.063 0.000 2.653 11 S HA 0.631 5.101 4.470 -0.000 0.000 0.268 11 S C -0.157 174.556 174.600 0.188 0.000 1.153 11 S CA 0.414 58.679 58.200 0.108 0.000 1.036 11 S CB 1.372 64.532 63.200 -0.066 0.000 1.103 11 S HN 1.167 nan 8.310 nan 0.000 0.466 12 G N 3.824 112.837 108.800 0.355 0.000 2.592 12 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.684 12 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.684 12 G C -0.867 174.101 174.900 0.113 0.000 1.291 12 G CA -0.558 44.692 45.100 0.249 0.000 0.891 12 G HN 0.972 nan 8.290 nan 0.000 0.544 13 N N -0.196 118.510 118.700 0.009 0.000 2.405 13 N HA 0.398 5.138 4.740 -0.000 0.000 0.260 13 N C 0.770 176.279 175.510 -0.002 0.000 1.152 13 N CA -0.362 52.693 53.050 0.008 0.000 0.948 13 N CB 1.075 39.538 38.487 -0.041 0.000 1.111 13 N HN 0.703 nan 8.380 nan 0.000 0.485 14 L N 2.966 124.200 121.223 0.018 0.000 2.858 14 L HA 0.299 4.639 4.340 -0.000 0.000 0.251 14 L C 1.628 178.512 176.870 0.023 0.000 1.149 14 L CA 0.378 55.227 54.840 0.015 0.000 0.955 14 L CB -0.131 41.937 42.059 0.016 0.000 1.289 14 L HN 0.560 nan 8.230 nan 0.000 0.542 15 Q N -0.524 119.288 119.800 0.019 0.000 2.030 15 Q HA -0.141 4.198 4.340 -0.000 0.000 0.204 15 Q C 2.124 178.151 176.000 0.045 0.000 0.986 15 Q CA 1.948 57.761 55.803 0.018 0.000 0.843 15 Q CB -0.405 28.327 28.738 -0.009 0.000 0.904 15 Q HN 0.474 nan 8.270 nan 0.000 0.420 16 S N 1.398 117.126 115.700 0.046 0.000 2.353 16 S HA -0.161 4.309 4.470 -0.000 0.000 0.222 16 S C 1.959 176.685 174.600 0.209 0.000 1.035 16 S CA 1.205 59.482 58.200 0.129 0.000 1.025 16 S CB -0.435 62.822 63.200 0.095 0.000 0.902 16 S HN 0.249 nan 8.310 nan 0.000 0.440 17 L N 2.141 123.434 121.223 0.117 0.000 1.989 17 L HA -0.141 4.199 4.340 -0.000 0.000 0.211 17 L C 2.609 179.532 176.870 0.089 0.000 1.071 17 L CA 2.541 57.433 54.840 0.087 0.000 0.749 17 L CB -1.610 40.469 42.059 0.034 0.000 0.890 17 L HN 0.526 nan 8.230 nan 0.000 0.431 18 T N -2.909 111.692 114.554 0.078 0.000 2.746 18 T HA -0.163 4.186 4.350 -0.000 0.000 0.267 18 T C 1.844 176.620 174.700 0.126 0.000 1.039 18 T CA 1.414 63.560 62.100 0.077 0.000 1.142 18 T CB -0.744 68.156 68.868 0.053 0.000 0.866 18 T HN 0.353 nan 8.240 nan 0.000 0.444 19 N N 2.170 120.974 118.700 0.173 0.000 2.166 19 N HA 0.065 4.805 4.740 -0.000 0.000 0.186 19 N C 2.257 177.989 175.510 0.370 0.000 1.019 19 N CA 1.430 54.630 53.050 0.251 0.000 0.856 19 N CB -0.743 37.874 38.487 0.218 0.000 0.993 19 N HN 0.634 nan 8.380 nan 0.000 0.426 20 A N 1.453 124.473 122.820 0.334 0.000 1.858 20 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 20 A C 2.335 179.971 177.584 0.086 0.000 1.190 20 A CA 0.918 52.972 52.037 0.029 0.000 0.617 20 A CB -0.699 18.215 19.000 -0.142 0.000 0.827 20 A HN 0.194 nan 8.150 nan 0.000 0.443 21 I N -0.512 120.108 120.570 0.083 0.000 2.163 21 I HA -0.298 3.872 4.170 -0.000 0.000 0.243 21 I C 2.563 178.786 176.117 0.177 0.000 1.085 21 I CA 1.858 63.200 61.300 0.071 0.000 1.347 21 I CB -0.559 37.463 38.000 0.036 0.000 1.044 21 I HN 0.437 nan 8.210 nan 0.000 0.408 22 E N -0.109 120.197 120.200 0.177 0.000 2.051 22 E HA -0.311 4.039 4.350 -0.000 0.000 0.192 22 E C 2.128 178.844 176.600 0.194 0.000 0.991 22 E CA 1.602 58.106 56.400 0.175 0.000 0.799 22 E CB -0.253 29.538 29.700 0.152 0.000 0.748 22 E HN 0.493 nan 8.360 nan 0.000 0.449 23 H N 0.599 119.753 119.070 0.140 0.000 2.426 23 H HA -0.086 4.470 4.556 -0.000 0.000 0.298 23 H C 1.593 176.990 175.328 0.115 0.000 1.107 23 H CA 1.284 57.413 56.048 0.135 0.000 1.298 23 H CB -0.119 29.746 29.762 0.173 0.000 1.377 23 H HN 0.085 nan 8.280 nan 0.000 0.519 24 L N -0.701 120.543 121.223 0.036 0.000 2.599 24 L HA 0.132 4.472 4.340 -0.000 0.000 0.230 24 L C 1.399 178.364 176.870 0.158 0.000 1.141 24 L CA 0.577 55.451 54.840 0.058 0.000 0.877 24 L CB 0.007 42.165 42.059 0.166 0.000 1.009 24 L HN 0.673 nan 8.230 nan 0.000 0.447 25 G N -1.284 107.563 108.800 0.078 0.000 2.130 25 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.216 25 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.216 25 G C -0.321 174.428 174.900 -0.252 0.000 0.999 25 G CA -0.534 44.510 45.100 -0.094 0.000 0.686 25 G HN 0.217 nan 8.290 nan 0.000 0.515 26 Y N -0.177 120.099 120.300 -0.039 0.000 2.509 26 Y HA 0.674 5.224 4.550 -0.000 0.000 0.341 26 Y C 0.446 176.318 175.900 -0.046 0.000 1.038 26 Y CA -1.260 56.812 58.100 -0.047 0.000 1.089 26 Y CB 1.387 39.834 38.460 -0.022 0.000 1.241 26 Y HN 0.192 nan 8.280 nan 0.000 0.468 27 E N 1.197 121.437 120.200 0.068 0.000 2.197 27 E HA 0.531 4.880 4.350 -0.000 0.000 0.281 27 E C -1.591 175.028 176.600 0.032 0.000 0.995 27 E CA -0.564 55.850 56.400 0.024 0.000 0.808 27 E CB 1.143 30.827 29.700 -0.026 0.000 1.093 27 E HN 0.448 nan 8.360 nan 0.000 0.394 28 V N 4.282 124.209 119.914 0.022 0.000 2.407 28 V HA 0.154 4.274 4.120 -0.000 0.000 0.278 28 V C -0.296 175.767 176.094 -0.052 0.000 1.037 28 V CA -0.457 61.837 62.300 -0.011 0.000 0.900 28 V CB 1.340 33.173 31.823 0.016 0.000 0.983 28 V HN 0.658 nan 8.190 nan 0.000 0.459 29 Q N 4.947 124.665 119.800 -0.136 0.000 2.357 29 Q HA 0.517 4.857 4.340 -0.000 0.000 0.266 29 Q C -1.115 174.847 176.000 -0.063 0.000 1.021 29 Q CA -0.189 55.529 55.803 -0.143 0.000 0.784 29 Q CB 1.273 29.782 28.738 -0.381 0.000 1.243 29 Q HN 0.709 nan 8.270 nan 0.000 0.465 30 L N 3.130 124.351 121.223 -0.004 0.000 2.417 30 L HA 0.456 4.796 4.340 -0.000 0.000 0.268 30 L C -0.423 176.475 176.870 0.046 0.000 1.158 30 L CA -0.781 54.063 54.840 0.007 0.000 0.819 30 L CB 1.047 43.113 42.059 0.012 0.000 1.112 30 L HN 0.405 nan 8.230 nan 0.000 0.458 31 V N 3.112 123.030 119.914 0.006 0.000 2.320 31 V HA 0.170 4.290 4.120 -0.000 0.000 0.268 31 V C 0.550 176.700 176.094 0.093 0.000 1.021 31 V CA -0.563 61.764 62.300 0.045 0.000 0.813 31 V CB 0.797 32.532 31.823 -0.145 0.000 1.054 31 V HN 0.729 nan 8.190 nan 0.000 0.444 32 K N 1.222 121.710 120.400 0.146 0.000 2.365 32 K HA 0.176 4.496 4.320 -0.000 0.000 0.197 32 K C 0.840 177.636 176.600 0.326 0.000 1.042 32 K CA 0.472 56.861 56.287 0.169 0.000 0.987 32 K CB 0.550 33.112 32.500 0.103 0.000 0.779 32 K HN 0.544 nan 8.250 nan 0.000 0.484 33 S N -0.538 115.364 115.700 0.337 0.000 2.556 33 S HA 0.294 4.764 4.470 -0.000 0.000 0.271 33 S C -2.545 172.084 174.600 0.049 0.000 1.135 33 S CA -1.605 56.680 58.200 0.142 0.000 0.858 33 S CB 1.633 64.866 63.200 0.055 0.000 1.114 33 S HN -0.269 nan 8.310 nan 0.000 0.468 34 P HA 0.000 nan 4.420 nan 0.000 0.223 34 P C 0.456 177.798 177.300 0.070 0.000 1.144 34 P CA 1.017 64.039 63.100 -0.129 0.000 0.783 34 P CB 0.060 31.540 31.700 -0.367 0.000 0.771 35 K N -0.805 119.614 120.400 0.033 0.000 2.366 35 K HA -0.043 4.277 4.320 -0.000 0.000 0.198 35 K C 0.721 177.393 176.600 0.119 0.000 1.044 35 K CA 0.797 57.108 56.287 0.040 0.000 0.973 35 K CB -0.258 32.252 32.500 0.018 0.000 0.767 35 K HN 0.171 nan 8.250 nan 0.000 0.475 36 D N 0.385 120.920 120.400 0.225 0.000 2.336 36 D HA 0.038 4.678 4.640 -0.000 0.000 0.229 36 D C 0.047 176.583 176.300 0.393 0.000 1.061 36 D CA 0.436 54.593 54.000 0.262 0.000 0.875 36 D CB -0.108 40.832 40.800 0.232 0.000 0.904 36 D HN 0.222 nan 8.370 nan 0.000 0.525 37 F N -0.593 119.380 119.950 0.037 0.000 2.744 37 F HA 0.349 4.876 4.527 -0.000 0.000 0.311 37 F C -1.861 173.909 175.800 -0.049 0.000 1.144 37 F CA -1.422 56.553 58.000 -0.041 0.000 0.938 37 F CB 1.263 40.170 39.000 -0.156 0.000 1.292 37 F HN -0.216 nan 8.300 nan 0.000 0.444 38 N N 2.959 121.432 118.700 -0.379 0.000 2.242 38 N HA 0.284 5.024 4.740 -0.000 0.000 0.292 38 N C 0.229 175.570 175.510 -0.280 0.000 1.125 38 N CA -0.743 52.050 53.050 -0.428 0.000 0.783 38 N CB 1.950 40.326 38.487 -0.185 0.000 1.558 38 N HN 0.653 nan 8.380 nan 0.000 0.472 39 I N 1.744 122.178 120.570 -0.226 0.000 2.064 39 I HA -0.361 3.809 4.170 -0.000 0.000 0.234 39 I C 2.619 178.773 176.117 0.062 0.000 1.019 39 I CA 2.441 63.746 61.300 0.008 0.000 1.301 39 I CB -2.036 35.957 38.000 -0.012 0.000 1.017 39 I HN 0.820 nan 8.210 nan 0.000 0.392 40 S N 0.799 116.503 115.700 0.007 0.000 2.419 40 S HA -0.107 4.363 4.470 -0.000 0.000 0.235 40 S C 1.966 176.597 174.600 0.051 0.000 1.019 40 S CA 1.168 59.381 58.200 0.022 0.000 0.982 40 S CB -1.290 61.910 63.200 0.001 0.000 0.789 40 S HN 0.565 nan 8.310 nan 0.000 0.490 41 G N 0.371 109.196 108.800 0.042 0.000 2.985 41 G HA2 0.290 4.250 3.960 -0.000 0.000 0.209 41 G HA3 0.290 4.250 3.960 -0.000 0.000 0.209 41 G C 0.070 175.043 174.900 0.122 0.000 1.165 41 G CA 0.114 45.260 45.100 0.076 0.000 0.776 41 G HN 0.495 nan 8.290 nan 0.000 0.541 42 T N 0.245 114.875 114.554 0.127 0.000 2.786 42 T HA 0.404 4.754 4.350 -0.000 0.000 0.283 42 T C 1.071 175.978 174.700 0.345 0.000 0.992 42 T CA -0.161 62.045 62.100 0.176 0.000 0.954 42 T CB 1.732 70.650 68.868 0.083 0.000 0.934 42 T HN 0.148 nan 8.240 nan 0.000 0.440 43 S N 2.548 118.438 115.700 0.317 0.000 2.506 43 S HA 0.259 4.729 4.470 -0.000 0.000 0.219 43 S C 0.650 175.418 174.600 0.280 0.000 1.031 43 S CA -0.470 57.888 58.200 0.264 0.000 0.911 43 S CB 0.455 63.757 63.200 0.169 0.000 0.812 43 S HN 0.384 nan 8.310 nan 0.000 0.497 44 R N 1.069 121.740 120.500 0.285 0.000 2.507 44 R HA 0.525 4.865 4.340 -0.000 0.000 0.298 44 R C -1.981 174.446 176.300 0.212 0.000 1.087 44 R CA -0.425 55.810 56.100 0.225 0.000 0.917 44 R CB 1.480 31.845 30.300 0.108 0.000 1.173 44 R HN 0.311 nan 8.270 nan 0.000 0.472 45 L N 4.400 125.726 121.223 0.172 0.000 2.313 45 L HA 0.622 4.962 4.340 -0.000 0.000 0.283 45 L C -0.842 176.031 176.870 0.005 0.000 1.013 45 L CA -0.413 54.390 54.840 -0.062 0.000 0.816 45 L CB 1.299 43.031 42.059 -0.545 0.000 1.236 45 L HN 0.539 nan 8.230 nan 0.000 0.419 46 I N 5.819 126.347 120.570 -0.069 0.000 2.406 46 I HA 0.306 4.475 4.170 -0.000 0.000 0.290 46 I C -1.043 174.968 176.117 -0.177 0.000 0.999 46 I CA -0.788 60.430 61.300 -0.137 0.000 1.124 46 I CB 1.979 39.914 38.000 -0.108 0.000 1.289 46 I HN 0.434 nan 8.210 nan 0.000 0.441 47 L N 9.956 131.060 121.223 -0.198 0.000 2.371 47 L HA 0.538 4.878 4.340 -0.000 0.000 0.262 47 L C -2.452 174.310 176.870 -0.179 0.000 1.054 47 L CA -1.890 52.854 54.840 -0.160 0.000 0.924 47 L CB 0.430 42.424 42.059 -0.109 0.000 1.295 47 L HN 0.256 nan 8.230 nan 0.000 0.441 48 P HA 0.499 nan 4.420 nan 0.000 0.282 48 P C -0.563 176.582 177.300 -0.258 0.000 1.249 48 P CA -0.248 62.731 63.100 -0.201 0.000 0.806 48 P CB 1.867 33.495 31.700 -0.120 0.000 0.984 49 G N 0.804 109.331 108.800 -0.455 0.000 2.766 49 G HA2 0.531 4.490 3.960 -0.000 0.000 0.297 49 G HA3 0.531 4.490 3.960 -0.000 0.000 0.297 49 G C -1.698 172.885 174.900 -0.528 0.000 1.431 49 G CA -0.377 44.219 45.100 -0.839 0.000 1.042 49 G HN 0.355 nan 8.290 nan 0.000 0.542 50 V N 0.715 120.421 119.914 -0.346 0.000 3.040 50 V HA 1.012 5.131 4.120 -0.000 0.000 0.312 50 V C 0.886 176.903 176.094 -0.129 0.000 1.115 50 V CA 0.526 62.736 62.300 -0.151 0.000 0.998 50 V CB 1.313 33.108 31.823 -0.046 0.000 1.042 50 V HN 2.323 nan 8.190 nan 0.000 0.433 51 G N 2.077 110.852 108.800 -0.043 0.000 2.610 51 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.304 51 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.304 51 G C -0.358 174.544 174.900 0.004 0.000 1.309 51 G CA -0.120 44.976 45.100 -0.006 0.000 0.906 51 G HN 1.059 nan 8.290 nan 0.000 0.521 52 N N 0.136 118.868 118.700 0.053 0.000 2.412 52 N HA 0.010 4.750 4.740 -0.000 0.000 0.258 52 N C 1.341 176.891 175.510 0.067 0.000 1.236 52 N CA 0.840 53.927 53.050 0.062 0.000 0.882 52 N CB 0.352 38.892 38.487 0.088 0.000 1.066 52 N HN 0.681 nan 8.380 nan 0.000 0.465 53 Y N 4.091 124.324 120.300 -0.111 0.000 2.053 53 Y HA -0.203 4.347 4.550 -0.000 0.000 0.277 53 Y C 2.148 178.028 175.900 -0.032 0.000 1.159 53 Y CA 2.565 60.604 58.100 -0.101 0.000 1.125 53 Y CB -0.594 37.738 38.460 -0.212 0.000 0.969 53 Y HN 0.701 nan 8.280 nan 0.000 0.492 54 G N -1.287 107.627 108.800 0.189 0.000 2.446 54 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.217 54 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.217 54 G C 1.495 176.426 174.900 0.050 0.000 1.168 54 G CA 1.263 46.421 45.100 0.097 0.000 0.771 54 G HN 0.526 nan 8.290 nan 0.000 0.551 55 H N 0.330 119.372 119.070 -0.046 0.000 2.265 55 H HA -0.168 4.388 4.556 -0.000 0.000 0.293 55 H C 2.146 177.425 175.328 -0.083 0.000 1.089 55 H CA 1.817 57.827 56.048 -0.063 0.000 1.244 55 H CB -0.819 28.903 29.762 -0.067 0.000 1.355 55 H HN 0.311 nan 8.280 nan 0.000 0.485 56 F N 0.254 120.094 119.950 -0.183 0.000 2.134 56 F HA -0.129 4.397 4.527 -0.000 0.000 0.299 56 F C 2.470 178.083 175.800 -0.312 0.000 1.097 56 F CA 1.421 59.237 58.000 -0.306 0.000 1.264 56 F CB -0.491 38.299 39.000 -0.351 0.000 1.001 56 F HN 0.033 nan 8.300 nan 0.000 0.479 57 V N 0.203 119.881 119.914 -0.393 0.000 2.548 57 V HA -0.215 3.905 4.120 -0.000 0.000 0.249 57 V C 2.016 177.831 176.094 -0.464 0.000 1.055 57 V CA 1.859 63.793 62.300 -0.610 0.000 1.065 57 V CB -0.650 30.791 31.823 -0.637 0.000 0.681 57 V HN 0.275 nan 8.190 nan 0.000 0.462 58 D N 0.271 120.537 120.400 -0.225 0.000 2.077 58 D HA -0.160 4.480 4.640 -0.000 0.000 0.196 58 D C 2.113 178.374 176.300 -0.065 0.000 0.986 58 D CA 1.317 55.267 54.000 -0.083 0.000 0.829 58 D CB -0.447 40.346 40.800 -0.012 0.000 0.983 58 D HN 0.304 nan 8.370 nan 0.000 0.453 59 N N 0.852 119.489 118.700 -0.104 0.000 2.021 59 N HA -0.171 4.568 4.740 -0.000 0.000 0.198 59 N C 1.960 177.406 175.510 -0.106 0.000 1.041 59 N CA 0.849 53.838 53.050 -0.101 0.000 0.862 59 N CB -0.648 37.732 38.487 -0.178 0.000 1.048 59 N HN 0.108 nan 8.380 nan 0.000 0.427 60 L N 0.184 121.224 121.223 -0.304 0.000 1.956 60 L HA -0.140 4.200 4.340 -0.000 0.000 0.216 60 L C 2.212 179.231 176.870 0.249 0.000 1.073 60 L CA 1.761 56.497 54.840 -0.174 0.000 0.762 60 L CB -1.149 40.588 42.059 -0.537 0.000 0.889 60 L HN 0.087 nan 8.230 nan 0.000 0.433 61 F N 0.280 120.193 119.950 -0.062 0.000 2.171 61 F HA -0.183 4.344 4.527 -0.000 0.000 0.300 61 F C 2.479 178.281 175.800 0.004 0.000 1.090 61 F CA 1.072 59.071 58.000 -0.001 0.000 1.293 61 F CB -1.384 37.607 39.000 -0.016 0.000 1.013 61 F HN 0.302 nan 8.300 nan 0.000 0.486 62 N N 0.274 119.085 118.700 0.185 0.000 2.309 62 N HA -0.126 4.614 4.740 -0.000 0.000 0.182 62 N C 1.631 177.176 175.510 0.059 0.000 1.018 62 N CA 0.722 53.828 53.050 0.093 0.000 0.876 62 N CB -0.319 38.206 38.487 0.063 0.000 0.972 62 N HN 0.307 nan 8.380 nan 0.000 0.434 63 R N -0.004 120.552 120.500 0.093 0.000 2.313 63 R HA 0.114 4.454 4.340 -0.000 0.000 0.199 63 R C 0.712 176.929 176.300 -0.138 0.000 0.958 63 R CA 0.409 56.529 56.100 0.033 0.000 1.047 63 R CB 0.067 30.481 30.300 0.191 0.000 0.955 63 R HN 0.158 nan 8.270 nan 0.000 0.481 64 G N 0.550 109.309 108.800 -0.067 0.000 2.160 64 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.244 64 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.244 64 G C 0.366 175.151 174.900 -0.192 0.000 1.022 64 G CA -0.157 44.855 45.100 -0.147 0.000 0.741 64 G HN 0.377 nan 8.290 nan 0.000 0.508 65 F N 0.203 120.170 119.950 0.028 0.000 2.710 65 F HA 0.171 4.698 4.527 -0.000 0.000 0.298 65 F C 2.265 178.085 175.800 0.034 0.000 1.137 65 F CA 1.190 59.228 58.000 0.065 0.000 1.444 65 F CB 0.160 39.196 39.000 0.061 0.000 1.111 65 F HN 0.464 nan 8.300 nan 0.000 0.580 66 E N 1.276 121.486 120.200 0.016 0.000 2.023 66 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 66 E C 2.010 178.577 176.600 -0.055 0.000 1.003 66 E CA 1.792 58.069 56.400 -0.206 0.000 0.809 66 E CB -0.005 29.185 29.700 -0.850 0.000 0.755 66 E HN 0.325 nan 8.360 nan 0.000 0.449 67 K N -0.169 120.185 120.400 -0.077 0.000 2.026 67 K HA -0.094 4.226 4.320 -0.000 0.000 0.208 67 K C -0.598 176.033 176.600 0.050 0.000 1.048 67 K CA 1.695 57.966 56.287 -0.027 0.000 0.929 67 K CB -0.797 31.667 32.500 -0.060 0.000 0.713 67 K HN 0.233 nan 8.250 nan 0.000 0.439 68 P HA -0.146 nan 4.420 nan 0.000 0.215 68 P C 1.229 178.707 177.300 0.298 0.000 1.153 68 P CA 1.189 64.383 63.100 0.157 0.000 0.853 68 P CB 0.055 31.895 31.700 0.234 0.000 0.788 69 I N -1.042 119.723 120.570 0.324 0.000 2.202 69 I HA -0.236 3.933 4.170 -0.000 0.000 0.242 69 I C 2.539 178.839 176.117 0.305 0.000 1.091 69 I CA 1.474 62.970 61.300 0.328 0.000 1.368 69 I CB -0.378 37.795 38.000 0.289 0.000 1.058 69 I HN -0.135 nan 8.210 nan 0.000 0.410 70 R N 0.605 121.252 120.500 0.246 0.000 2.081 70 R HA -0.186 4.154 4.340 -0.000 0.000 0.235 70 R C 2.200 178.612 176.300 0.186 0.000 1.131 70 R CA 1.537 57.783 56.100 0.245 0.000 0.960 70 R CB -0.304 30.090 30.300 0.157 0.000 0.856 70 R HN 0.430 nan 8.270 nan 0.000 0.436 71 E N -0.387 119.900 120.200 0.144 0.000 2.077 71 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 71 E C 1.720 178.388 176.600 0.115 0.000 0.989 71 E CA 1.320 57.778 56.400 0.096 0.000 0.800 71 E CB -0.179 29.555 29.700 0.056 0.000 0.746 71 E HN 0.329 nan 8.360 nan 0.000 0.452 72 Y N 1.254 121.604 120.300 0.083 0.000 2.128 72 Y HA -0.224 4.326 4.550 -0.000 0.000 0.284 72 Y C 1.964 177.908 175.900 0.074 0.000 1.154 72 Y CA 1.510 59.667 58.100 0.094 0.000 1.149 72 Y CB -0.131 38.435 38.460 0.176 0.000 0.976 72 Y HN -0.029 nan 8.280 nan 0.000 0.505 73 I N 0.169 120.828 120.570 0.150 0.000 2.286 73 I HA -0.301 3.869 4.170 -0.000 0.000 0.248 73 I C 1.983 178.075 176.117 -0.042 0.000 1.115 73 I CA 1.817 63.135 61.300 0.031 0.000 1.392 73 I CB -0.415 37.621 38.000 0.061 0.000 1.065 73 I HN 0.342 nan 8.210 nan 0.000 0.418 74 E N 0.312 120.514 120.200 0.004 0.000 2.274 74 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 74 E C 2.131 178.689 176.600 -0.069 0.000 0.996 74 E CA 1.247 57.639 56.400 -0.013 0.000 0.840 74 E CB -0.078 29.633 29.700 0.019 0.000 0.772 74 E HN 0.467 nan 8.360 nan 0.000 0.491 75 S N -0.208 115.415 115.700 -0.128 0.000 2.507 75 S HA -0.017 4.452 4.470 -0.000 0.000 0.235 75 S C 1.759 176.253 174.600 -0.177 0.000 0.988 75 S CA 0.810 58.912 58.200 -0.163 0.000 0.944 75 S CB -0.145 62.911 63.200 -0.239 0.000 0.762 75 S HN 0.400 nan 8.310 nan 0.000 0.526 76 G N 0.620 109.310 108.800 -0.184 0.000 2.179 76 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 76 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 76 G C -0.004 174.797 174.900 -0.165 0.000 0.977 76 G CA 0.401 45.415 45.100 -0.144 0.000 0.641 76 G HN 0.625 nan 8.290 nan 0.000 0.533 77 K N 0.951 121.169 120.400 -0.303 0.000 2.118 77 K HA 0.435 4.755 4.320 -0.000 0.000 0.264 77 K C -2.463 174.072 176.600 -0.108 0.000 1.000 77 K CA -1.924 54.208 56.287 -0.259 0.000 0.929 77 K CB 0.836 33.108 32.500 -0.381 0.000 1.021 77 K HN -0.024 nan 8.250 nan 0.000 0.463 78 P HA -0.008 nan 4.420 nan 0.000 0.261 78 P C -0.821 176.822 177.300 0.572 0.000 1.183 78 P CA 0.476 63.736 63.100 0.266 0.000 0.761 78 P CB 0.316 32.030 31.700 0.023 0.000 0.785 79 I N 3.548 124.446 120.570 0.548 0.000 2.619 79 I HA 0.532 4.701 4.170 -0.000 0.000 0.292 79 I C -1.234 174.903 176.117 0.033 0.000 1.100 79 I CA -1.398 60.135 61.300 0.388 0.000 1.043 79 I CB 1.687 39.868 38.000 0.302 0.000 1.239 79 I HN 0.232 nan 8.210 nan 0.000 0.420 80 M N 6.659 126.064 119.600 -0.326 0.000 2.197 80 M HA 0.569 5.048 4.480 -0.000 0.000 0.301 80 M C -0.837 175.162 176.300 -0.502 0.000 0.987 80 M CA -0.463 54.382 55.300 -0.758 0.000 0.921 80 M CB 1.613 33.292 32.600 -1.536 0.000 1.569 80 M HN 0.724 nan 8.290 nan 0.000 0.431 81 G N 5.642 114.147 108.800 -0.492 0.000 2.356 81 G HA2 0.703 4.663 3.960 -0.000 0.000 0.322 81 G HA3 0.703 4.663 3.960 -0.000 0.000 0.322 81 G C -1.114 173.477 174.900 -0.515 0.000 1.125 81 G CA -0.572 44.291 45.100 -0.395 0.000 0.885 81 G HN 0.758 nan 8.290 nan 0.000 0.467 82 I N 1.876 122.164 120.570 -0.469 0.000 2.418 82 I HA 0.234 4.404 4.170 -0.000 0.000 0.287 82 I C 0.951 176.725 176.117 -0.572 0.000 1.008 82 I CA -0.539 60.428 61.300 -0.555 0.000 1.104 82 I CB 1.416 39.138 38.000 -0.463 0.000 1.264 82 I HN 0.838 nan 8.210 nan 0.000 0.438 83 C N 4.238 123.149 119.300 -0.648 0.000 5.885 83 C HA -0.304 4.156 4.460 -0.000 0.000 0.328 83 C C 2.265 176.988 174.990 -0.444 0.000 2.433 83 C CA 1.552 60.223 59.018 -0.579 0.000 2.197 83 C CB -1.450 25.897 27.740 -0.655 0.000 3.236 83 C HN 0.656 nan 8.230 nan 0.000 0.260 84 V N 2.172 121.779 119.914 -0.513 0.000 2.809 84 V HA 0.095 4.215 4.120 -0.000 0.000 0.256 84 V C 2.555 178.292 176.094 -0.595 0.000 1.080 84 V CA 2.594 64.537 62.300 -0.596 0.000 1.102 84 V CB -1.122 30.124 31.823 -0.961 0.000 0.705 84 V HN 1.031 nan 8.190 nan 0.000 0.475 85 G N 0.040 108.501 108.800 -0.564 0.000 2.432 85 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.219 85 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.219 85 G C 1.594 176.373 174.900 -0.202 0.000 1.135 85 G CA 1.034 45.940 45.100 -0.324 0.000 0.767 85 G HN 0.512 nan 8.290 nan 0.000 0.550 86 L N -0.348 120.727 121.223 -0.246 0.000 2.068 86 L HA 0.031 4.370 4.340 -0.000 0.000 0.204 86 L C 2.950 179.869 176.870 0.082 0.000 1.076 86 L CA 1.201 55.967 54.840 -0.123 0.000 0.753 86 L CB -0.284 41.649 42.059 -0.210 0.000 0.910 86 L HN 0.223 nan 8.230 nan 0.000 0.439 87 Q N 0.143 119.930 119.800 -0.021 0.000 2.170 87 Q HA -0.184 4.155 4.340 -0.000 0.000 0.203 87 Q C 2.221 178.424 176.000 0.339 0.000 0.976 87 Q CA 1.400 57.259 55.803 0.095 0.000 0.858 87 Q CB -0.394 28.398 28.738 0.090 0.000 0.907 87 Q HN 0.703 nan 8.270 nan 0.000 0.433 88 A N 1.009 123.896 122.820 0.111 0.000 2.131 88 A HA -0.111 4.208 4.320 -0.000 0.000 0.220 88 A C 1.921 179.642 177.584 0.228 0.000 1.158 88 A CA 0.866 52.961 52.037 0.096 0.000 0.665 88 A CB -0.487 18.557 19.000 0.074 0.000 0.795 88 A HN 0.292 nan 8.150 nan 0.000 0.460 89 L N -1.680 119.696 121.223 0.254 0.000 2.554 89 L HA 0.103 4.443 4.340 -0.000 0.000 0.226 89 L C 0.406 177.279 176.870 0.005 0.000 1.137 89 L CA -0.230 54.719 54.840 0.181 0.000 0.863 89 L CB -0.268 41.789 42.059 -0.003 0.000 0.985 89 L HN 0.273 nan 8.230 nan 0.000 0.451 90 F N -0.862 119.075 119.950 -0.023 0.000 2.321 90 F HA 0.356 4.882 4.527 -0.000 0.000 0.318 90 F C 1.508 177.274 175.800 -0.057 0.000 1.129 90 F CA -0.207 57.703 58.000 -0.151 0.000 1.074 90 F CB 0.400 39.221 39.000 -0.298 0.000 1.432 90 F HN -0.291 nan 8.300 nan 0.000 0.502 91 A N -0.011 122.857 122.820 0.080 0.000 2.015 91 A HA 0.430 4.750 4.320 -0.000 0.000 0.219 91 A C 1.009 178.623 177.584 0.049 0.000 1.163 91 A CA 1.551 53.620 52.037 0.054 0.000 0.646 91 A CB -0.952 18.072 19.000 0.040 0.000 0.806 91 A HN 1.074 nan 8.150 nan 0.000 0.448 92 G N -2.567 106.220 108.800 -0.022 0.000 2.344 92 G HA2 0.440 4.400 3.960 -0.000 0.000 0.282 92 G HA3 0.440 4.400 3.960 -0.000 0.000 0.282 92 G C -0.932 173.561 174.900 -0.679 0.000 1.281 92 G CA 0.317 45.257 45.100 -0.266 0.000 0.877 92 G HN 1.037 nan 8.290 nan 0.000 0.494 93 S N -1.743 113.414 115.700 -0.904 0.000 2.543 93 S HA 0.458 4.927 4.470 -0.000 0.000 0.271 93 S C 0.745 175.036 174.600 -0.514 0.000 1.148 93 S CA 0.500 58.209 58.200 -0.819 0.000 0.914 93 S CB 1.728 64.138 63.200 -1.318 0.000 1.096 93 S HN 1.905 nan 8.310 nan 0.000 0.471 94 V N 4.337 124.062 119.914 -0.315 0.000 2.688 94 V HA -0.079 4.040 4.120 -0.000 0.000 0.256 94 V C 2.170 178.092 176.094 -0.287 0.000 1.084 94 V CA 2.822 65.012 62.300 -0.183 0.000 1.103 94 V CB -0.690 31.128 31.823 -0.008 0.000 0.688 94 V HN 1.011 nan 8.190 nan 0.000 0.480 95 E N 0.064 119.845 120.200 -0.699 0.000 2.160 95 E HA -0.135 4.214 4.350 -0.000 0.000 0.195 95 E C 0.556 176.931 176.600 -0.375 0.000 0.991 95 E CA 1.322 57.175 56.400 -0.911 0.000 0.810 95 E CB 0.028 28.788 29.700 -1.567 0.000 0.742 95 E HN 0.627 nan 8.360 nan 0.000 0.466 96 S N 0.764 116.288 115.700 -0.293 0.000 2.312 96 S HA 0.205 4.675 4.470 -0.000 0.000 0.173 96 S C -2.245 172.282 174.600 -0.123 0.000 1.488 96 S CA -1.022 57.099 58.200 -0.131 0.000 1.239 96 S CB 1.593 64.781 63.200 -0.020 0.000 1.215 96 S HN 0.076 nan 8.310 nan 0.000 0.438 97 P HA -0.219 nan 4.420 nan 0.000 0.219 97 P C 1.092 178.362 177.300 -0.050 0.000 1.161 97 P CA 1.509 64.563 63.100 -0.077 0.000 0.909 97 P CB 0.124 31.795 31.700 -0.048 0.000 0.793 98 K N -0.909 119.474 120.400 -0.028 0.000 2.362 98 K HA 0.044 4.363 4.320 -0.000 0.000 0.200 98 K C 0.896 177.502 176.600 0.010 0.000 1.046 98 K CA 0.374 56.657 56.287 -0.007 0.000 0.952 98 K CB -0.301 32.198 32.500 -0.001 0.000 0.753 98 K HN 0.141 nan 8.250 nan 0.000 0.466 99 S N 0.546 116.255 115.700 0.015 0.000 2.584 99 S HA 0.073 4.542 4.470 -0.000 0.000 0.270 99 S C 0.168 174.812 174.600 0.074 0.000 1.346 99 S CA -0.024 58.217 58.200 0.067 0.000 1.018 99 S CB 1.245 64.558 63.200 0.188 0.000 0.899 99 S HN 0.059 nan 8.310 nan 0.000 0.542 100 T N 0.888 115.504 114.554 0.104 0.000 2.886 100 T HA 0.632 4.982 4.350 -0.000 0.000 0.292 100 T C 0.263 175.042 174.700 0.131 0.000 1.012 100 T CA -0.396 61.777 62.100 0.122 0.000 0.982 100 T CB 1.217 70.171 68.868 0.143 0.000 1.018 100 T HN 0.688 nan 8.240 nan 0.000 0.451 101 G N 1.598 110.507 108.800 0.181 0.000 2.671 101 G HA2 0.526 4.486 3.960 -0.000 0.000 0.275 101 G HA3 0.526 4.486 3.960 -0.000 0.000 0.275 101 G C 0.833 175.892 174.900 0.264 0.000 1.368 101 G CA -0.745 44.469 45.100 0.189 0.000 1.044 101 G HN 0.724 nan 8.290 nan 0.000 0.543 102 L N -0.500 120.891 121.223 0.280 0.000 2.376 102 L HA 0.043 4.383 4.340 -0.000 0.000 0.219 102 L C 1.353 178.190 176.870 -0.055 0.000 1.133 102 L CA 0.739 55.716 54.840 0.227 0.000 0.816 102 L CB -0.391 41.914 42.059 0.410 0.000 0.933 102 L HN 0.661 nan 8.230 nan 0.000 0.449 103 N N -1.510 117.199 118.700 0.016 0.000 2.735 103 N HA -0.285 4.455 4.740 -0.000 0.000 0.248 103 N C 0.427 175.850 175.510 -0.145 0.000 1.083 103 N CA 0.489 53.501 53.050 -0.064 0.000 0.703 103 N CB -1.436 37.024 38.487 -0.044 0.000 1.005 103 N HN 0.345 nan 8.380 nan 0.000 0.550 104 Y N -0.408 119.876 120.300 -0.026 0.000 2.395 104 Y HA 0.244 4.794 4.550 -0.000 0.000 0.293 104 Y C 1.094 176.977 175.900 -0.028 0.000 1.123 104 Y CA 0.828 58.969 58.100 0.069 0.000 1.227 104 Y CB 0.388 38.965 38.460 0.195 0.000 1.012 104 Y HN 0.268 nan 8.280 nan 0.000 0.552 105 I N 1.431 121.840 120.570 -0.269 0.000 2.382 105 I HA 0.108 4.277 4.170 -0.000 0.000 0.286 105 I C -0.743 175.165 176.117 -0.349 0.000 1.002 105 I CA -0.885 60.076 61.300 -0.565 0.000 1.135 105 I CB 1.290 38.408 38.000 -1.470 0.000 1.288 105 I HN 0.064 nan 8.210 nan 0.000 0.448 106 D N 7.407 127.753 120.400 -0.089 0.000 2.885 106 D HA 0.153 4.792 4.640 -0.000 0.000 0.234 106 D C -0.549 175.870 176.300 0.198 0.000 1.129 106 D CA -0.047 53.977 54.000 0.039 0.000 0.991 106 D CB -0.414 40.434 40.800 0.080 0.000 1.137 106 D HN 0.281 nan 8.370 nan 0.000 0.459 107 F N -2.307 117.691 119.950 0.079 0.000 2.719 107 F HA 0.540 5.067 4.527 -0.000 0.000 0.309 107 F C -1.161 174.723 175.800 0.141 0.000 1.138 107 F CA -1.411 56.644 58.000 0.092 0.000 0.943 107 F CB 1.036 40.084 39.000 0.080 0.000 1.304 107 F HN -0.300 nan 8.300 nan 0.000 0.445 108 K N 1.856 122.445 120.400 0.314 0.000 2.095 108 K HA 0.654 4.974 4.320 -0.000 0.000 0.252 108 K C -1.196 175.449 176.600 0.075 0.000 0.977 108 K CA -0.952 55.379 56.287 0.074 0.000 0.900 108 K CB 1.747 34.234 32.500 -0.022 0.000 1.060 108 K HN 0.571 nan 8.250 nan 0.000 0.449 109 L N 1.396 122.509 121.223 -0.183 0.000 2.371 109 L HA 0.145 4.485 4.340 -0.000 0.000 0.272 109 L C 0.355 177.185 176.870 -0.067 0.000 1.124 109 L CA 0.276 55.004 54.840 -0.187 0.000 0.816 109 L CB 1.099 42.966 42.059 -0.320 0.000 1.129 109 L HN 0.722 nan 8.230 nan 0.000 0.448 110 S N 2.050 117.737 115.700 -0.022 0.000 2.638 110 S HA 0.677 5.147 4.470 -0.000 0.000 0.302 110 S C -0.486 174.082 174.600 -0.054 0.000 1.096 110 S CA -1.109 57.106 58.200 0.025 0.000 0.953 110 S CB 1.649 64.835 63.200 -0.023 0.000 1.107 110 S HN 0.558 nan 8.310 nan 0.000 0.503 111 R N 0.154 120.599 120.500 -0.092 0.000 2.490 111 R HA 0.389 4.729 4.340 -0.000 0.000 0.280 111 R C -0.845 175.240 176.300 -0.358 0.000 1.077 111 R CA -0.532 55.272 56.100 -0.493 0.000 1.065 111 R CB 0.179 30.174 30.300 -0.508 0.000 1.003 111 R HN 0.677 nan 8.270 nan 0.000 0.470 112 F N 1.500 121.221 119.950 -0.383 0.000 2.545 112 F HA -0.077 4.450 4.527 -0.000 0.000 0.348 112 F C 1.085 176.740 175.800 -0.242 0.000 1.163 112 F CA 0.127 57.958 58.000 -0.282 0.000 1.331 112 F CB 0.430 39.258 39.000 -0.287 0.000 1.138 112 F HN 0.554 nan 8.300 nan 0.000 0.602 113 D N 1.986 122.410 120.400 0.040 0.000 2.325 113 D HA 0.031 4.670 4.640 -0.000 0.000 0.251 113 D C 0.132 176.355 176.300 -0.129 0.000 1.196 113 D CA -0.487 53.477 54.000 -0.061 0.000 0.866 113 D CB 0.563 41.325 40.800 -0.063 0.000 1.101 113 D HN 0.432 nan 8.370 nan 0.000 0.476 114 D N 0.999 121.322 120.400 -0.128 0.000 2.325 114 D HA -0.076 4.564 4.640 -0.000 0.000 0.225 114 D C 1.244 177.454 176.300 -0.150 0.000 1.096 114 D CA 0.114 54.016 54.000 -0.163 0.000 0.844 114 D CB -0.166 40.550 40.800 -0.141 0.000 0.925 114 D HN 0.213 nan 8.370 nan 0.000 0.513 115 S N 0.447 116.072 115.700 -0.125 0.000 2.436 115 S HA -0.160 4.310 4.470 -0.000 0.000 0.228 115 S C 1.565 176.100 174.600 -0.109 0.000 1.014 115 S CA 0.730 58.871 58.200 -0.097 0.000 0.950 115 S CB -0.459 62.699 63.200 -0.070 0.000 0.784 115 S HN 0.537 nan 8.310 nan 0.000 0.504 116 E N 1.177 121.283 120.200 -0.157 0.000 2.473 116 E HA 0.264 4.614 4.350 -0.000 0.000 0.204 116 E C 0.329 176.749 176.600 -0.301 0.000 0.994 116 E CA -0.408 55.898 56.400 -0.158 0.000 0.945 116 E CB 0.082 29.700 29.700 -0.136 0.000 0.990 116 E HN 0.709 nan 8.360 nan 0.000 0.493 117 K N -0.285 119.841 120.400 -0.457 0.000 2.578 117 K HA 0.465 4.785 4.320 -0.000 0.000 0.287 117 K C -3.336 172.951 176.600 -0.521 0.000 1.010 117 K CA -2.348 53.446 56.287 -0.822 0.000 0.889 117 K CB 1.247 32.909 32.500 -1.397 0.000 1.514 117 K HN -0.302 nan 8.250 nan 0.000 0.424 118 P HA 0.224 nan 4.420 nan 0.000 0.275 118 P C -1.085 176.130 177.300 -0.141 0.000 1.228 118 P CA -0.544 62.429 63.100 -0.211 0.000 0.786 118 P CB 0.925 32.552 31.700 -0.122 0.000 0.927 119 V N 4.330 124.168 119.914 -0.127 0.000 2.686 119 V HA 0.397 4.517 4.120 -0.000 0.000 0.306 119 V C -2.148 173.877 176.094 -0.115 0.000 1.065 119 V CA -1.942 60.290 62.300 -0.113 0.000 0.894 119 V CB 2.176 33.927 31.823 -0.119 0.000 1.004 119 V HN 0.571 nan 8.190 nan 0.000 0.424 120 P HA 0.116 nan 4.420 nan 0.000 0.272 120 P C -0.584 176.578 177.300 -0.229 0.000 1.240 120 P CA -0.233 62.779 63.100 -0.147 0.000 0.791 120 P CB 1.006 32.648 31.700 -0.096 0.000 0.978 121 E N 1.311 121.256 120.200 -0.425 0.000 2.290 121 E HA 0.305 4.655 4.350 -0.000 0.000 0.277 121 E C -0.811 175.538 176.600 -0.419 0.000 1.035 121 E CA -0.338 55.585 56.400 -0.795 0.000 0.873 121 E CB -0.010 28.891 29.700 -1.331 0.000 1.029 121 E HN 0.321 nan 8.360 nan 0.000 0.419 122 I N 5.027 125.392 120.570 -0.343 0.000 2.503 122 I HA 0.541 4.711 4.170 -0.000 0.000 0.282 122 I C 0.164 176.172 176.117 -0.181 0.000 1.059 122 I CA -0.504 60.656 61.300 -0.234 0.000 1.081 122 I CB 1.423 39.382 38.000 -0.069 0.000 1.210 122 I HN 0.798 nan 8.210 nan 0.000 0.450 123 G N 4.662 113.262 108.800 -0.332 0.000 2.345 123 G HA2 0.154 4.113 3.960 -0.000 0.000 0.285 123 G HA3 0.154 4.113 3.960 -0.000 0.000 0.285 123 G C -2.482 172.306 174.900 -0.187 0.000 1.297 123 G CA -0.896 44.150 45.100 -0.090 0.000 0.875 123 G HN 0.325 nan 8.290 nan 0.000 0.506 124 W N 2.012 123.401 121.300 0.149 0.000 2.288 124 W HA 0.655 5.315 4.660 -0.000 0.000 0.325 124 W C 0.336 176.914 176.519 0.097 0.000 1.019 124 W CA -0.629 56.822 57.345 0.177 0.000 1.403 124 W CB 0.964 30.495 29.460 0.117 0.000 1.226 124 W HN 0.505 nan 8.180 nan 0.000 0.391 125 N N 1.211 120.081 118.700 0.284 0.000 2.671 125 N HA 0.540 5.280 4.740 -0.000 0.000 0.303 125 N C -0.521 175.115 175.510 0.210 0.000 1.277 125 N CA -0.275 52.821 53.050 0.076 0.000 0.933 125 N CB 1.726 40.018 38.487 -0.325 0.000 1.190 125 N HN 0.274 nan 8.380 nan 0.000 0.600 126 S N -1.151 114.605 115.700 0.095 0.000 2.627 126 S HA 0.562 5.032 4.470 -0.000 0.000 0.283 126 S C -0.709 173.964 174.600 0.122 0.000 1.127 126 S CA -0.779 57.504 58.200 0.137 0.000 0.863 126 S CB 0.434 63.629 63.200 -0.009 0.000 1.121 126 S HN 0.530 nan 8.310 nan 0.000 0.479 127 C N 1.907 121.292 119.300 0.141 0.000 2.527 127 C HA 0.472 4.931 4.460 -0.000 0.000 0.396 127 C C 0.728 175.721 174.990 0.005 0.000 1.289 127 C CA -0.793 58.268 59.018 0.071 0.000 2.047 127 C CB -1.010 26.769 27.740 0.065 0.000 2.568 127 C HN 0.741 nan 8.230 nan 0.000 0.573 128 I N 4.675 125.247 120.570 0.003 0.000 2.556 128 I HA 0.144 4.314 4.170 -0.000 0.000 0.284 128 I C -1.840 174.264 176.117 -0.023 0.000 1.114 128 I CA -1.195 60.107 61.300 0.002 0.000 1.418 128 I CB 0.379 38.386 38.000 0.013 0.000 1.394 128 I HN 0.391 nan 8.210 nan 0.000 0.552 129 P HA -0.042 nan 4.420 nan 0.000 0.261 129 P C -0.567 176.740 177.300 0.011 0.000 1.173 129 P CA 0.443 63.524 63.100 -0.031 0.000 0.760 129 P CB 0.551 32.239 31.700 -0.019 0.000 0.783 130 S N 1.717 117.431 115.700 0.024 0.000 2.615 130 S HA 0.260 4.730 4.470 -0.000 0.000 0.269 130 S C 0.365 174.996 174.600 0.050 0.000 1.161 130 S CA -0.638 57.586 58.200 0.040 0.000 0.817 130 S CB 1.120 64.346 63.200 0.042 0.000 1.131 130 S HN 0.254 nan 8.310 nan 0.000 0.467 131 E N 1.105 121.341 120.200 0.060 0.000 2.385 131 E HA 0.150 4.500 4.350 -0.000 0.000 0.194 131 E C -0.055 176.590 176.600 0.074 0.000 1.013 131 E CA 0.324 56.761 56.400 0.062 0.000 0.866 131 E CB -0.070 29.664 29.700 0.058 0.000 0.832 131 E HN 0.538 nan 8.360 nan 0.000 0.500 132 N N 0.814 119.572 118.700 0.097 0.000 2.458 132 N HA 0.163 4.903 4.740 -0.000 0.000 0.274 132 N C 0.290 175.922 175.510 0.202 0.000 1.242 132 N CA 0.005 53.149 53.050 0.156 0.000 0.904 132 N CB 0.911 39.509 38.487 0.186 0.000 1.206 132 N HN 0.085 nan 8.380 nan 0.000 0.510 133 L N 0.390 121.641 121.223 0.048 0.000 2.479 133 L HA 0.421 4.761 4.340 -0.000 0.000 0.248 133 L C 0.014 176.825 176.870 -0.097 0.000 1.205 133 L CA -0.289 54.431 54.840 -0.199 0.000 0.817 133 L CB 0.231 42.191 42.059 -0.165 0.000 1.162 133 L HN 0.068 nan 8.230 nan 0.000 0.486 134 F N -3.173 116.816 119.950 0.064 0.000 2.779 134 F HA 0.447 4.974 4.527 -0.000 0.000 0.316 134 F C -0.310 175.466 175.800 -0.041 0.000 1.164 134 F CA -1.662 56.290 58.000 -0.080 0.000 0.924 134 F CB 0.284 39.221 39.000 -0.107 0.000 1.348 134 F HN 0.269 nan 8.300 nan 0.000 0.467 135 F N 1.141 121.152 119.950 0.102 0.000 3.056 135 F HA -0.001 4.526 4.527 -0.000 0.000 0.266 135 F C 1.516 177.339 175.800 0.038 0.000 0.957 135 F CA 1.453 59.434 58.000 -0.031 0.000 0.894 135 F CB -1.455 37.344 39.000 -0.334 0.000 0.832 135 F HN 1.391 nan 8.300 nan 0.000 0.745 136 G N -0.358 108.507 108.800 0.109 0.000 2.168 136 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.263 136 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.263 136 G C 0.301 175.301 174.900 0.167 0.000 0.977 136 G CA 0.021 45.201 45.100 0.133 0.000 0.659 136 G HN 0.500 nan 8.290 nan 0.000 0.533 137 L N 1.193 122.486 121.223 0.116 0.000 2.615 137 L HA 0.192 4.531 4.340 -0.000 0.000 0.271 137 L C 0.279 177.238 176.870 0.149 0.000 1.183 137 L CA 0.075 54.981 54.840 0.110 0.000 0.933 137 L CB 0.398 42.412 42.059 -0.074 0.000 1.199 137 L HN 0.138 nan 8.230 nan 0.000 0.487 138 D N 6.139 126.708 120.400 0.281 0.000 2.349 138 D HA 0.240 4.880 4.640 -0.000 0.000 0.232 138 D C -1.716 174.677 176.300 0.155 0.000 1.071 138 D CA -2.146 52.000 54.000 0.243 0.000 0.832 138 D CB 2.061 43.040 40.800 0.298 0.000 1.086 138 D HN 0.151 nan 8.370 nan 0.000 0.504 139 P HA -0.100 nan 4.420 nan 0.000 0.221 139 P C 0.302 177.322 177.300 -0.467 0.000 1.145 139 P CA 1.062 64.004 63.100 -0.263 0.000 0.795 139 P CB -0.008 31.415 31.700 -0.460 0.000 0.775 140 Y N -1.270 119.010 120.300 -0.034 0.000 2.493 140 Y HA 0.202 4.752 4.550 -0.000 0.000 0.275 140 Y C 1.107 176.909 175.900 -0.164 0.000 1.183 140 Y CA -0.003 57.979 58.100 -0.196 0.000 1.258 140 Y CB -0.061 38.067 38.460 -0.554 0.000 1.108 140 Y HN -0.140 nan 8.280 nan 0.000 0.521 141 K N 0.097 120.479 120.400 -0.030 0.000 2.316 141 K HA 0.596 4.916 4.320 -0.000 0.000 0.234 141 K C -0.326 176.118 176.600 -0.260 0.000 1.054 141 K CA -1.138 55.067 56.287 -0.135 0.000 0.879 141 K CB 1.547 33.956 32.500 -0.153 0.000 1.252 141 K HN -0.177 nan 8.250 nan 0.000 0.471 142 R N 0.905 121.195 120.500 -0.350 0.000 2.740 142 R HA 0.421 4.761 4.340 -0.000 0.000 0.282 142 R C -1.154 174.932 176.300 -0.356 0.000 0.969 142 R CA -0.703 55.287 56.100 -0.183 0.000 0.918 142 R CB 1.135 31.518 30.300 0.138 0.000 1.175 142 R HN 0.568 nan 8.270 nan 0.000 0.464 143 Y N 0.081 120.496 120.300 0.191 0.000 2.524 143 Y HA 0.317 4.867 4.550 -0.000 0.000 0.344 143 Y C -0.352 175.434 175.900 -0.189 0.000 1.012 143 Y CA -1.094 56.902 58.100 -0.173 0.000 1.068 143 Y CB 1.566 39.302 38.460 -1.207 0.000 1.249 143 Y HN 0.445 nan 8.280 nan 0.000 0.468 144 Y N 2.701 122.688 120.300 -0.522 0.000 2.383 144 Y HA 0.489 5.038 4.550 -0.000 0.000 0.344 144 Y C -1.606 174.110 175.900 -0.306 0.000 0.986 144 Y CA -1.137 56.503 58.100 -0.766 0.000 1.175 144 Y CB 0.058 37.879 38.460 -1.065 0.000 1.152 144 Y HN 0.403 nan 8.280 nan 0.000 0.511 145 F N 5.061 124.626 119.950 -0.642 0.000 2.480 145 F HA 0.605 5.132 4.527 -0.000 0.000 0.329 145 F C -0.558 174.880 175.800 -0.603 0.000 1.091 145 F CA -1.148 56.629 58.000 -0.371 0.000 0.972 145 F CB 1.874 40.840 39.000 -0.057 0.000 1.150 145 F HN 0.208 nan 8.300 nan 0.000 0.467 146 V N 4.407 124.286 119.914 -0.058 0.000 2.637 146 V HA 0.531 4.651 4.120 -0.000 0.000 0.274 146 V C -1.606 174.614 176.094 0.209 0.000 1.004 146 V CA -0.022 62.250 62.300 -0.047 0.000 0.894 146 V CB 0.500 32.258 31.823 -0.109 0.000 1.046 146 V HN 1.033 nan 8.190 nan 0.000 0.467 147 H N 1.952 120.999 119.070 -0.039 0.000 3.024 147 H HA 0.569 5.125 4.556 -0.000 0.000 0.324 147 H C -0.340 174.998 175.328 0.016 0.000 1.347 147 H CA -0.225 55.834 56.048 0.017 0.000 1.182 147 H CB 1.513 31.291 29.762 0.026 0.000 1.889 147 H HN 0.021 nan 8.280 nan 0.000 0.528 148 S N 0.405 116.060 115.700 -0.076 0.000 2.497 148 S HA 0.210 4.680 4.470 -0.000 0.000 0.221 148 S C -0.287 173.877 174.600 -0.727 0.000 1.037 148 S CA 0.073 58.054 58.200 -0.364 0.000 0.920 148 S CB 0.174 63.094 63.200 -0.467 0.000 0.800 148 S HN 0.341 nan 8.310 nan 0.000 0.505 149 F N 1.203 121.014 119.950 -0.232 0.000 2.458 149 F HA 0.793 5.320 4.527 -0.000 0.000 0.330 149 F C 0.298 175.889 175.800 -0.349 0.000 1.082 149 F CA -0.877 56.922 58.000 -0.334 0.000 0.995 149 F CB 1.344 40.224 39.000 -0.200 0.000 1.170 149 F HN 0.019 nan 8.300 nan 0.000 0.478 150 A N 0.719 123.317 122.820 -0.369 0.000 2.588 150 A HA 0.825 5.145 4.320 -0.000 0.000 0.290 150 A C -1.592 175.866 177.584 -0.210 0.000 1.136 150 A CA -0.684 51.176 52.037 -0.296 0.000 0.681 150 A CB 0.746 19.372 19.000 -0.622 0.000 1.282 150 A HN 1.004 nan 8.150 nan 0.000 0.421 151 A N 1.145 123.911 122.820 -0.090 0.000 2.798 151 A HA 0.572 4.891 4.320 -0.000 0.000 0.316 151 A C -0.133 177.584 177.584 0.223 0.000 1.506 151 A CA -0.152 51.919 52.037 0.058 0.000 1.162 151 A CB -1.098 17.873 19.000 -0.048 0.000 1.138 151 A HN 0.594 nan 8.150 nan 0.000 0.532 152 I N 2.787 123.424 120.570 0.111 0.000 2.533 152 I HA 0.091 4.260 4.170 -0.000 0.000 0.284 152 I C -0.064 176.080 176.117 0.046 0.000 1.109 152 I CA 0.305 61.668 61.300 0.105 0.000 1.412 152 I CB 0.702 38.706 38.000 0.006 0.000 1.396 152 I HN 0.469 nan 8.210 nan 0.000 0.543 153 L N 6.956 128.228 121.223 0.082 0.000 2.352 153 L HA 0.502 4.842 4.340 -0.000 0.000 0.269 153 L C -0.242 176.616 176.870 -0.019 0.000 1.034 153 L CA -0.707 54.136 54.840 0.006 0.000 0.806 153 L CB 1.268 43.364 42.059 0.061 0.000 1.244 153 L HN 0.689 nan 8.230 nan 0.000 0.447 154 N N -1.458 117.209 118.700 -0.056 0.000 2.647 154 N HA 0.183 4.923 4.740 -0.000 0.000 0.266 154 N C 0.081 175.571 175.510 -0.033 0.000 1.373 154 N CA -0.632 52.393 53.050 -0.043 0.000 0.807 154 N CB 1.179 39.629 38.487 -0.061 0.000 1.513 154 N HN 0.387 nan 8.380 nan 0.000 0.505 155 S N -0.490 115.198 115.700 -0.019 0.000 2.380 155 S HA -0.286 4.184 4.470 -0.000 0.000 0.229 155 S C 1.292 175.887 174.600 -0.007 0.000 1.043 155 S CA 2.131 60.328 58.200 -0.006 0.000 1.038 155 S CB -0.482 62.716 63.200 -0.004 0.000 0.872 155 S HN 0.680 nan 8.310 nan 0.000 0.456 156 E N 0.212 120.398 120.200 -0.023 0.000 2.051 156 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 156 E C 2.126 178.712 176.600 -0.024 0.000 0.991 156 E CA 1.260 57.647 56.400 -0.021 0.000 0.799 156 E CB -0.100 29.580 29.700 -0.033 0.000 0.748 156 E HN 0.524 nan 8.360 nan 0.000 0.449 157 K N 0.278 120.634 120.400 -0.072 0.000 2.097 157 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 157 K C 2.227 178.839 176.600 0.019 0.000 1.050 157 K CA 1.187 57.421 56.287 -0.089 0.000 0.938 157 K CB -0.021 32.300 32.500 -0.299 0.000 0.718 157 K HN 0.053 nan 8.250 nan 0.000 0.442 158 K N 0.884 121.301 120.400 0.028 0.000 2.097 158 K HA -0.130 4.189 4.320 -0.000 0.000 0.205 158 K C 2.040 178.692 176.600 0.085 0.000 1.050 158 K CA 1.202 57.533 56.287 0.074 0.000 0.938 158 K CB 0.024 32.561 32.500 0.062 0.000 0.718 158 K HN -0.087 nan 8.250 nan 0.000 0.442 159 K N 0.950 121.387 120.400 0.062 0.000 2.025 159 K HA -0.055 4.265 4.320 -0.000 0.000 0.207 159 K C 1.744 178.395 176.600 0.085 0.000 1.049 159 K CA 1.257 57.584 56.287 0.066 0.000 0.933 159 K CB -0.210 32.317 32.500 0.045 0.000 0.714 159 K HN 0.077 nan 8.250 nan 0.000 0.438 160 N N 0.582 119.332 118.700 0.083 0.000 2.069 160 N HA -0.144 4.596 4.740 -0.000 0.000 0.191 160 N C 1.769 177.376 175.510 0.162 0.000 1.031 160 N CA 1.129 54.243 53.050 0.107 0.000 0.852 160 N CB -0.347 38.200 38.487 0.099 0.000 1.018 160 N HN 0.096 nan 8.380 nan 0.000 0.423 161 L N 0.877 122.206 121.223 0.178 0.000 2.012 161 L HA -0.207 4.132 4.340 -0.000 0.000 0.210 161 L C 2.489 179.534 176.870 0.291 0.000 1.073 161 L CA 1.393 56.385 54.840 0.253 0.000 0.748 161 L CB -0.445 41.732 42.059 0.197 0.000 0.891 161 L HN 0.154 nan 8.230 nan 0.000 0.431 162 E N 0.589 120.910 120.200 0.201 0.000 2.085 162 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 162 E C 1.873 178.554 176.600 0.136 0.000 0.994 162 E CA 1.578 58.076 56.400 0.165 0.000 0.801 162 E CB -0.117 29.656 29.700 0.122 0.000 0.743 162 E HN 0.359 nan 8.360 nan 0.000 0.453 163 N N 0.453 119.228 118.700 0.124 0.000 2.331 163 N HA -0.111 4.629 4.740 -0.000 0.000 0.180 163 N C 0.745 176.319 175.510 0.106 0.000 1.019 163 N CA 1.248 54.356 53.050 0.097 0.000 0.881 163 N CB -0.276 38.261 38.487 0.083 0.000 0.972 163 N HN 0.265 nan 8.380 nan 0.000 0.435 164 D N -0.617 119.886 120.400 0.171 0.000 2.363 164 D HA 0.124 4.763 4.640 -0.000 0.000 0.226 164 D C 0.894 177.236 176.300 0.070 0.000 1.020 164 D CA 0.508 54.621 54.000 0.189 0.000 0.892 164 D CB -0.096 40.944 40.800 0.400 0.000 0.900 164 D HN 0.332 nan 8.370 nan 0.000 0.531 165 G N -0.376 108.463 108.800 0.065 0.000 2.136 165 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.242 165 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.242 165 G C -0.238 174.611 174.900 -0.086 0.000 0.989 165 G CA -0.237 44.839 45.100 -0.040 0.000 0.682 165 G HN 0.204 nan 8.290 nan 0.000 0.522 166 W N 0.705 122.023 121.300 0.030 0.000 2.316 166 W HA 0.656 5.315 4.660 -0.000 0.000 0.321 166 W C 0.762 177.313 176.519 0.054 0.000 1.203 166 W CA -0.617 56.743 57.345 0.024 0.000 1.214 166 W CB 0.894 30.376 29.460 0.037 0.000 1.169 166 W HN -0.066 nan 8.180 nan 0.000 0.561 167 K N 3.588 124.161 120.400 0.288 0.000 2.185 167 K HA 0.438 4.758 4.320 -0.000 0.000 0.269 167 K C -0.712 176.158 176.600 0.450 0.000 0.987 167 K CA -0.718 55.747 56.287 0.296 0.000 0.865 167 K CB 1.114 33.720 32.500 0.178 0.000 1.090 167 K HN 0.175 nan 8.250 nan 0.000 0.450 168 I N 2.438 123.286 120.570 0.463 0.000 2.406 168 I HA 0.289 4.459 4.170 -0.000 0.000 0.290 168 I C -0.093 176.243 176.117 0.366 0.000 0.999 168 I CA -0.832 60.723 61.300 0.425 0.000 1.124 168 I CB 1.480 39.643 38.000 0.273 0.000 1.289 168 I HN 0.610 nan 8.210 nan 0.000 0.441 169 A N 7.552 130.580 122.820 0.347 0.000 2.252 169 A HA 0.567 4.887 4.320 -0.000 0.000 0.309 169 A C 0.047 177.686 177.584 0.092 0.000 1.285 169 A CA -0.594 51.510 52.037 0.112 0.000 0.900 169 A CB 0.383 19.386 19.000 0.005 0.000 1.157 169 A HN 0.694 nan 8.150 nan 0.000 0.536 170 K N 1.186 121.602 120.400 0.026 0.000 2.095 170 K HA 0.774 5.094 4.320 -0.000 0.000 0.252 170 K C -0.241 176.268 176.600 -0.151 0.000 0.977 170 K CA -0.379 55.869 56.287 -0.065 0.000 0.900 170 K CB 2.075 34.556 32.500 -0.031 0.000 1.060 170 K HN 0.760 nan 8.250 nan 0.000 0.449 171 A N 1.497 124.075 122.820 -0.404 0.000 2.566 171 A HA 0.610 4.930 4.320 -0.000 0.000 0.292 171 A C -1.562 175.791 177.584 -0.384 0.000 1.112 171 A CA -0.746 51.037 52.037 -0.424 0.000 0.707 171 A CB 1.711 20.299 19.000 -0.688 0.000 1.302 171 A HN 0.659 nan 8.150 nan 0.000 0.409 172 K N 0.350 120.773 120.400 0.039 0.000 2.471 172 K HA 0.535 4.855 4.320 -0.000 0.000 0.252 172 K C -2.342 174.541 176.600 0.471 0.000 0.938 172 K CA -0.453 55.965 56.287 0.218 0.000 0.796 172 K CB 1.582 34.019 32.500 -0.105 0.000 1.161 172 K HN 0.693 nan 8.250 nan 0.000 0.425 173 Y N 4.410 124.882 120.300 0.287 0.000 2.338 173 Y HA 0.456 5.006 4.550 -0.000 0.000 0.328 173 Y C 0.337 176.201 175.900 -0.060 0.000 0.965 173 Y CA 0.339 58.446 58.100 0.011 0.000 1.208 173 Y CB 1.007 39.192 38.460 -0.459 0.000 1.132 173 Y HN 0.952 nan 8.280 nan 0.000 0.469 174 G N 3.442 112.136 108.800 -0.178 0.000 2.523 174 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.271 174 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.271 174 G C 0.724 175.571 174.900 -0.087 0.000 1.146 174 G CA 0.564 45.546 45.100 -0.196 0.000 0.961 174 G HN 1.433 nan 8.290 nan 0.000 0.549 175 S N 0.360 115.996 115.700 -0.107 0.000 2.539 175 S HA 0.443 4.913 4.470 -0.000 0.000 0.221 175 S C 0.380 174.958 174.600 -0.036 0.000 0.987 175 S CA 0.842 58.996 58.200 -0.076 0.000 0.929 175 S CB 0.488 63.650 63.200 -0.063 0.000 0.832 175 S HN 0.675 nan 8.310 nan 0.000 0.492 176 E N 1.725 121.932 120.200 0.011 0.000 2.174 176 E HA 0.320 4.670 4.350 -0.000 0.000 0.282 176 E C -0.715 176.045 176.600 0.266 0.000 0.992 176 E CA -0.297 56.181 56.400 0.131 0.000 0.803 176 E CB 1.089 30.911 29.700 0.204 0.000 1.090 176 E HN 0.422 nan 8.360 nan 0.000 0.396 177 E N 2.739 123.061 120.200 0.203 0.000 2.266 177 E HA 0.399 4.749 4.350 -0.000 0.000 0.277 177 E C -0.905 175.896 176.600 0.334 0.000 1.018 177 E CA -0.390 56.123 56.400 0.189 0.000 0.840 177 E CB 0.803 30.537 29.700 0.056 0.000 1.082 177 E HN 0.324 nan 8.360 nan 0.000 0.395 178 F N -0.218 119.826 119.950 0.157 0.000 2.686 178 F HA 0.501 5.028 4.527 -0.000 0.000 0.311 178 F C -1.050 174.861 175.800 0.185 0.000 1.128 178 F CA -1.278 56.822 58.000 0.168 0.000 0.946 178 F CB 0.560 39.690 39.000 0.216 0.000 1.336 178 F HN 0.189 nan 8.300 nan 0.000 0.457 179 I N 2.600 123.323 120.570 0.254 0.000 2.494 179 I HA 0.250 4.420 4.170 -0.000 0.000 0.289 179 I C 0.896 177.138 176.117 0.207 0.000 1.106 179 I CA 0.078 61.488 61.300 0.184 0.000 1.369 179 I CB 1.217 39.379 38.000 0.270 0.000 1.410 179 I HN 0.932 nan 8.210 nan 0.000 0.523 180 A N 5.689 128.567 122.820 0.098 0.000 2.030 180 A HA 0.584 4.903 4.320 -0.000 0.000 0.215 180 A C 0.955 178.669 177.584 0.216 0.000 1.164 180 A CA 0.857 53.084 52.037 0.318 0.000 0.697 180 A CB 0.179 19.388 19.000 0.348 0.000 0.827 180 A HN 0.771 nan 8.150 nan 0.000 0.457 181 A N -1.294 121.648 122.820 0.204 0.000 2.605 181 A HA 0.568 4.888 4.320 -0.000 0.000 0.294 181 A C -0.799 177.039 177.584 0.424 0.000 1.062 181 A CA 0.100 52.267 52.037 0.218 0.000 0.682 181 A CB 0.559 19.753 19.000 0.323 0.000 1.278 181 A HN 1.394 nan 8.150 nan 0.000 0.410 182 V N -0.817 119.309 119.914 0.353 0.000 3.040 182 V HA 0.921 5.040 4.120 -0.000 0.000 0.312 182 V C -0.583 175.629 176.094 0.198 0.000 1.115 182 V CA -0.679 61.822 62.300 0.335 0.000 0.998 182 V CB 2.021 33.940 31.823 0.160 0.000 1.042 182 V HN 1.128 nan 8.190 nan 0.000 0.433 183 N N 1.575 120.298 118.700 0.038 0.000 2.600 183 N HA 0.395 5.135 4.740 -0.000 0.000 0.272 183 N C -1.876 173.558 175.510 -0.127 0.000 1.095 183 N CA -0.548 52.379 53.050 -0.204 0.000 0.993 183 N CB 2.033 39.855 38.487 -1.108 0.000 1.603 183 N HN 0.973 nan 8.380 nan 0.000 0.526 184 K N 3.929 124.196 120.400 -0.222 0.000 2.581 184 K HA 0.253 4.573 4.320 -0.000 0.000 0.249 184 K C -0.134 176.259 176.600 -0.345 0.000 0.966 184 K CA -0.301 55.696 56.287 -0.483 0.000 0.811 184 K CB 0.688 32.409 32.500 -1.297 0.000 1.223 184 K HN 0.777 nan 8.250 nan 0.000 0.438 185 N N 1.788 120.347 118.700 -0.235 0.000 1.241 185 N HA -0.333 4.407 4.740 -0.000 0.000 0.135 185 N C 0.396 175.864 175.510 -0.069 0.000 0.723 185 N CA 2.136 55.096 53.050 -0.150 0.000 0.950 185 N CB -1.108 37.273 38.487 -0.175 0.000 1.215 185 N HN 0.929 nan 8.380 nan 0.000 0.520 186 N N 2.024 120.689 118.700 -0.058 0.000 2.398 186 N HA 0.095 4.835 4.740 -0.000 0.000 0.188 186 N C 0.314 175.874 175.510 0.083 0.000 1.122 186 N CA 0.318 53.384 53.050 0.028 0.000 0.866 186 N CB 0.121 38.603 38.487 -0.009 0.000 0.970 186 N HN 0.579 nan 8.380 nan 0.000 0.462 187 I N 1.069 121.643 120.570 0.006 0.000 2.365 187 I HA 0.275 4.445 4.170 -0.000 0.000 0.291 187 I C -0.965 175.246 176.117 0.157 0.000 1.004 187 I CA -0.760 60.562 61.300 0.037 0.000 1.311 187 I CB 0.796 38.758 38.000 -0.063 0.000 1.401 187 I HN -0.123 nan 8.210 nan 0.000 0.491 188 F N 6.490 126.390 119.950 -0.084 0.000 2.569 188 F HA 0.815 5.342 4.527 -0.000 0.000 0.312 188 F C -1.010 174.642 175.800 -0.247 0.000 1.109 188 F CA -0.829 57.073 58.000 -0.163 0.000 0.919 188 F CB 1.662 40.456 39.000 -0.343 0.000 1.211 188 F HN 0.464 nan 8.300 nan 0.000 0.446 189 A N 2.634 125.002 122.820 -0.754 0.000 2.589 189 A HA 0.730 5.050 4.320 -0.000 0.000 0.296 189 A C -1.119 175.959 177.584 -0.844 0.000 1.062 189 A CA -0.249 51.311 52.037 -0.796 0.000 0.686 189 A CB 1.394 20.174 19.000 -0.367 0.000 1.282 189 A HN 1.077 nan 8.150 nan 0.000 0.404 190 T N -1.158 112.844 114.554 -0.920 0.000 2.887 190 T HA 0.517 4.867 4.350 -0.000 0.000 0.288 190 T C 0.393 174.606 174.700 -0.811 0.000 1.021 190 T CA -0.392 61.099 62.100 -1.016 0.000 1.000 190 T CB 1.866 69.717 68.868 -1.694 0.000 1.034 190 T HN 0.616 nan 8.240 nan 0.000 0.467 191 Q N 1.078 120.509 119.800 -0.615 0.000 2.302 191 Q HA 0.225 4.565 4.340 -0.000 0.000 0.202 191 Q C 0.230 175.863 176.000 -0.611 0.000 0.936 191 Q CA 0.426 55.975 55.803 -0.423 0.000 0.886 191 Q CB -0.299 28.425 28.738 -0.023 0.000 0.986 191 Q HN 0.782 nan 8.270 nan 0.000 0.487 192 F N -0.899 118.609 119.950 -0.737 0.000 2.368 192 F HA 0.473 5.000 4.527 -0.000 0.000 0.315 192 F C 0.027 175.454 175.800 -0.622 0.000 1.145 192 F CA -1.063 56.365 58.000 -0.955 0.000 1.095 192 F CB 0.356 38.439 39.000 -1.529 0.000 1.286 192 F HN -0.107 nan 8.300 nan 0.000 0.530 193 H N 2.972 122.010 119.070 -0.053 0.000 2.787 193 H HA 0.180 4.736 4.556 -0.000 0.000 0.275 193 H C -1.722 173.715 175.328 0.182 0.000 1.183 193 H CA -1.529 54.517 56.048 -0.003 0.000 1.290 193 H CB 1.114 30.903 29.762 0.044 0.000 1.438 193 H HN 0.449 nan 8.280 nan 0.000 0.487 194 P HA -0.204 nan 4.420 nan 0.000 0.215 194 P C 1.331 178.778 177.300 0.245 0.000 1.153 194 P CA 1.201 64.504 63.100 0.338 0.000 0.853 194 P CB 0.423 32.249 31.700 0.210 0.000 0.788 195 E N 0.491 120.800 120.200 0.181 0.000 2.333 195 E HA -0.164 4.186 4.350 -0.000 0.000 0.198 195 E C 1.147 177.903 176.600 0.259 0.000 1.007 195 E CA 1.080 57.588 56.400 0.179 0.000 0.845 195 E CB -0.519 29.282 29.700 0.167 0.000 0.766 195 E HN 0.174 nan 8.360 nan 0.000 0.507 196 K N 0.683 121.218 120.400 0.224 0.000 2.399 196 K HA 0.233 4.553 4.320 -0.000 0.000 0.204 196 K C 0.211 176.933 176.600 0.204 0.000 1.023 196 K CA 0.014 56.383 56.287 0.137 0.000 1.127 196 K CB 0.883 33.371 32.500 -0.021 0.000 0.856 196 K HN -0.034 nan 8.250 nan 0.000 0.514 197 S N 0.490 116.388 115.700 0.329 0.000 2.562 197 S HA 0.282 4.752 4.470 -0.000 0.000 0.246 197 S C 0.734 175.630 174.600 0.494 0.000 1.056 197 S CA -0.019 58.466 58.200 0.475 0.000 1.042 197 S CB 0.604 64.048 63.200 0.406 0.000 0.822 197 S HN 0.550 nan 8.310 nan 0.000 0.465 198 G N 2.851 111.942 108.800 0.486 0.000 2.578 198 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.284 198 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.284 198 G C 0.740 175.815 174.900 0.291 0.000 1.283 198 G CA 0.660 46.028 45.100 0.448 0.000 0.944 198 G HN 0.392 nan 8.290 nan 0.000 0.558 199 K N 0.219 120.757 120.400 0.229 0.000 2.103 199 K HA 0.139 4.459 4.320 -0.000 0.000 0.207 199 K C 2.978 179.670 176.600 0.154 0.000 1.048 199 K CA 2.840 59.226 56.287 0.165 0.000 0.930 199 K CB -0.916 31.658 32.500 0.123 0.000 0.716 199 K HN 1.168 nan 8.250 nan 0.000 0.444 200 A N -0.221 122.684 122.820 0.142 0.000 1.933 200 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 200 A C 2.373 180.140 177.584 0.304 0.000 1.175 200 A CA 1.829 53.956 52.037 0.150 0.000 0.628 200 A CB -1.173 17.794 19.000 -0.056 0.000 0.814 200 A HN 0.466 nan 8.150 nan 0.000 0.444 201 G N -0.060 108.924 108.800 0.306 0.000 2.414 201 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.215 201 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.215 201 G C 1.535 176.575 174.900 0.234 0.000 1.188 201 G CA 0.947 46.261 45.100 0.355 0.000 0.783 201 G HN 0.423 nan 8.290 nan 0.000 0.537 202 L N 0.737 122.036 121.223 0.127 0.000 2.081 202 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 202 L C 2.716 179.656 176.870 0.118 0.000 1.080 202 L CA 1.024 55.894 54.840 0.050 0.000 0.754 202 L CB -0.519 41.536 42.059 -0.006 0.000 0.893 202 L HN 0.133 nan 8.230 nan 0.000 0.433 203 N N -0.209 118.590 118.700 0.164 0.000 2.149 203 N HA -0.147 4.592 4.740 -0.000 0.000 0.188 203 N C 1.878 177.518 175.510 0.217 0.000 1.019 203 N CA 1.253 54.409 53.050 0.177 0.000 0.857 203 N CB -0.551 38.049 38.487 0.189 0.000 0.997 203 N HN 0.136 nan 8.380 nan 0.000 0.426 204 V N 1.585 121.665 119.914 0.276 0.000 2.307 204 V HA -0.154 3.965 4.120 -0.000 0.000 0.245 204 V C 2.259 178.521 176.094 0.280 0.000 1.045 204 V CA 1.170 63.664 62.300 0.324 0.000 1.024 204 V CB -0.418 31.647 31.823 0.403 0.000 0.651 204 V HN 0.211 nan 8.190 nan 0.000 0.449 205 I N 0.074 120.768 120.570 0.206 0.000 2.226 205 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 205 I C 2.608 178.803 176.117 0.130 0.000 1.100 205 I CA 2.073 63.466 61.300 0.154 0.000 1.374 205 I CB -0.369 37.667 38.000 0.060 0.000 1.057 205 I HN 0.427 nan 8.210 nan 0.000 0.413 206 E N 1.283 121.544 120.200 0.102 0.000 2.051 206 E HA -0.256 4.094 4.350 -0.000 0.000 0.192 206 E C 1.955 178.625 176.600 0.117 0.000 0.991 206 E CA 1.505 57.953 56.400 0.080 0.000 0.799 206 E CB 0.032 29.792 29.700 0.099 0.000 0.748 206 E HN 0.403 nan 8.360 nan 0.000 0.449 207 N N 0.011 118.823 118.700 0.186 0.000 2.205 207 N HA -0.174 4.566 4.740 -0.000 0.000 0.186 207 N C 1.578 177.292 175.510 0.340 0.000 1.015 207 N CA 1.064 54.267 53.050 0.255 0.000 0.862 207 N CB -0.442 38.234 38.487 0.314 0.000 0.986 207 N HN 0.252 nan 8.380 nan 0.000 0.429 208 F N 1.744 121.721 119.950 0.045 0.000 2.084 208 F HA 0.018 4.545 4.527 -0.000 0.000 0.296 208 F C 2.091 177.858 175.800 -0.056 0.000 1.111 208 F CA 0.937 58.795 58.000 -0.236 0.000 1.224 208 F CB -0.604 38.220 39.000 -0.294 0.000 0.991 208 F HN -0.109 nan 8.300 nan 0.000 0.471 209 L N 0.243 121.278 121.223 -0.313 0.000 2.081 209 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 209 L C 2.037 178.785 176.870 -0.204 0.000 1.080 209 L CA 1.677 56.263 54.840 -0.423 0.000 0.754 209 L CB -0.688 41.052 42.059 -0.532 0.000 0.893 209 L HN 0.141 nan 8.230 nan 0.000 0.433 210 K N -0.558 119.811 120.400 -0.052 0.000 2.404 210 K HA 0.047 4.367 4.320 -0.000 0.000 0.194 210 K C -0.193 176.418 176.600 0.019 0.000 1.023 210 K CA -0.149 56.155 56.287 0.028 0.000 1.094 210 K CB 0.369 32.916 32.500 0.078 0.000 0.841 210 K HN 0.128 nan 8.250 nan 0.000 0.523 211 Q N 1.292 121.103 119.800 0.019 0.000 2.448 211 Q HA -0.211 4.129 4.340 -0.000 0.000 0.356 211 Q C -0.996 175.042 176.000 0.062 0.000 1.430 211 Q CA 1.253 57.133 55.803 0.128 0.000 1.011 211 Q CB -1.701 27.050 28.738 0.022 0.000 1.203 211 Q HN 0.647 nan 8.270 nan 0.000 0.351 212 Q N -2.116 117.723 119.800 0.065 0.000 2.353 212 Q HA 0.706 5.045 4.340 -0.000 0.000 0.275 212 Q C -0.975 174.938 176.000 -0.145 0.000 1.029 212 Q CA -0.855 54.912 55.803 -0.059 0.000 0.848 212 Q CB 1.557 30.298 28.738 0.005 0.000 1.390 212 Q HN 0.041 nan 8.270 nan 0.000 0.401 213 S N 2.830 118.411 115.700 -0.197 0.000 2.252 213 S HA 0.357 4.827 4.470 -0.000 0.000 0.180 213 S C -2.195 172.368 174.600 -0.062 0.000 1.534 213 S CA -0.858 57.235 58.200 -0.177 0.000 1.141 213 S CB 0.210 63.258 63.200 -0.253 0.000 1.122 213 S HN 0.513 nan 8.310 nan 0.000 0.475 214 P HA 0.230 nan 4.420 nan 0.000 0.269 214 P C -2.605 174.703 177.300 0.013 0.000 1.215 214 P CA -0.993 62.111 63.100 0.006 0.000 0.780 214 P CB -0.302 31.415 31.700 0.028 0.000 0.898 215 P HA 0.190 nan 4.420 nan 0.000 0.274 215 P C 0.307 177.623 177.300 0.027 0.000 1.231 215 P CA -0.347 62.763 63.100 0.017 0.000 0.790 215 P CB 0.638 32.341 31.700 0.005 0.000 0.951 216 I N -0.459 120.146 120.570 0.057 0.000 2.836 216 I HA 0.298 4.468 4.170 -0.000 0.000 0.285 216 I C -2.227 173.868 176.117 -0.038 0.000 1.174 216 I CA -2.162 59.187 61.300 0.083 0.000 1.405 216 I CB -0.820 37.311 38.000 0.218 0.000 1.385 216 I HN 0.149 nan 8.210 nan 0.000 0.594 217 P HA -0.060 nan 4.420 nan 0.000 0.269 217 P C -0.527 176.476 177.300 -0.495 0.000 1.211 217 P CA -0.015 62.808 63.100 -0.463 0.000 0.781 217 P CB 0.265 31.464 31.700 -0.836 0.000 0.877 218 N N 1.905 120.394 118.700 -0.353 0.000 3.188 218 N HA 0.046 4.786 4.740 -0.000 0.000 0.279 218 N C -0.651 174.734 175.510 -0.208 0.000 1.213 218 N CA -0.080 52.849 53.050 -0.202 0.000 1.138 218 N CB -0.521 37.899 38.487 -0.112 0.000 1.417 218 N HN 0.308 nan 8.380 nan 0.000 0.526 219 Y N 0.241 120.475 120.300 -0.111 0.000 2.550 219 Y HA -0.069 4.481 4.550 -0.000 0.000 0.343 219 Y C 1.697 177.510 175.900 -0.145 0.000 1.245 219 Y CA -0.213 57.788 58.100 -0.164 0.000 1.462 219 Y CB 0.437 38.700 38.460 -0.327 0.000 1.340 219 Y HN 0.243 nan 8.280 nan 0.000 0.604 220 S N 0.814 116.542 115.700 0.047 0.000 2.603 220 S HA 0.425 4.895 4.470 -0.000 0.000 0.268 220 S C 1.110 175.693 174.600 -0.028 0.000 1.317 220 S CA -0.522 57.678 58.200 -0.001 0.000 1.012 220 S CB 1.439 64.636 63.200 -0.005 0.000 0.926 220 S HN 0.858 nan 8.310 nan 0.000 0.539 221 A N 1.055 123.859 122.820 -0.026 0.000 2.024 221 A HA -0.097 4.222 4.320 -0.000 0.000 0.220 221 A C 2.128 179.686 177.584 -0.043 0.000 1.164 221 A CA 1.306 53.323 52.037 -0.033 0.000 0.643 221 A CB -0.741 18.250 19.000 -0.014 0.000 0.806 221 A HN 0.878 nan 8.150 nan 0.000 0.451 222 E N 0.266 120.444 120.200 -0.037 0.000 2.047 222 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 222 E C 1.825 178.389 176.600 -0.060 0.000 0.987 222 E CA 1.417 57.794 56.400 -0.039 0.000 0.799 222 E CB -0.492 29.191 29.700 -0.029 0.000 0.752 222 E HN 0.797 nan 8.360 nan 0.000 0.449 223 E N 1.197 121.355 120.200 -0.070 0.000 2.077 223 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 223 E C 2.122 178.587 176.600 -0.225 0.000 0.989 223 E CA 1.034 57.367 56.400 -0.112 0.000 0.800 223 E CB -0.016 29.655 29.700 -0.048 0.000 0.746 223 E HN 0.170 nan 8.360 nan 0.000 0.452 224 K N 0.593 120.818 120.400 -0.292 0.000 2.032 224 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 224 K C 2.210 178.768 176.600 -0.069 0.000 1.048 224 K CA 1.477 57.536 56.287 -0.379 0.000 0.927 224 K CB -0.093 32.205 32.500 -0.337 0.000 0.712 224 K HN -0.022 nan 8.250 nan 0.000 0.441 225 E N 1.306 121.476 120.200 -0.050 0.000 2.153 225 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 225 E C 1.739 178.323 176.600 -0.026 0.000 0.988 225 E CA 0.891 57.283 56.400 -0.014 0.000 0.811 225 E CB -0.096 29.593 29.700 -0.020 0.000 0.746 225 E HN 0.128 nan 8.360 nan 0.000 0.466 226 L N -0.366 120.825 121.223 -0.054 0.000 2.095 226 L HA 0.125 4.465 4.340 -0.000 0.000 0.204 226 L C 1.986 178.820 176.870 -0.060 0.000 1.080 226 L CA 1.356 56.160 54.840 -0.059 0.000 0.759 226 L CB -0.132 41.886 42.059 -0.068 0.000 0.914 226 L HN 0.249 nan 8.230 nan 0.000 0.439 227 L N -0.756 120.429 121.223 -0.064 0.000 2.375 227 L HA 0.062 4.402 4.340 -0.000 0.000 0.215 227 L C 1.358 178.251 176.870 0.039 0.000 1.108 227 L CA -0.155 54.663 54.840 -0.037 0.000 0.830 227 L CB -0.453 41.543 42.059 -0.105 0.000 0.959 227 L HN 0.308 nan 8.230 nan 0.000 0.457 228 M N -0.667 118.995 119.600 0.103 0.000 2.240 228 M HA 0.092 4.572 4.480 -0.000 0.000 0.317 228 M C 0.151 176.397 176.300 -0.090 0.000 1.087 228 M CA 0.399 55.723 55.300 0.041 0.000 1.176 228 M CB 0.178 32.841 32.600 0.106 0.000 1.439 228 M HN -0.078 nan 8.290 nan 0.000 0.452 229 N N 1.841 120.430 118.700 -0.185 0.000 2.444 229 N HA 0.047 4.786 4.740 -0.000 0.000 0.271 229 N C -0.622 174.690 175.510 -0.329 0.000 1.069 229 N CA -0.171 52.653 53.050 -0.376 0.000 0.965 229 N CB 0.829 38.922 38.487 -0.657 0.000 1.092 229 N HN 0.801 nan 8.380 nan 0.000 0.476 230 D N 2.779 123.023 120.400 -0.259 0.000 2.369 230 D HA -0.040 4.599 4.640 -0.000 0.000 0.211 230 D C -0.129 176.173 176.300 0.004 0.000 1.077 230 D CA -0.144 53.814 54.000 -0.069 0.000 0.842 230 D CB -0.517 40.255 40.800 -0.048 0.000 0.947 230 D HN 0.530 nan 8.370 nan 0.000 0.509 231 Y N 0.529 120.812 120.300 -0.028 0.000 3.825 231 Y HA -0.287 4.263 4.550 -0.000 0.000 0.221 231 Y C 0.447 176.305 175.900 -0.071 0.000 1.195 231 Y CA 0.572 58.655 58.100 -0.028 0.000 1.699 231 Y CB -2.558 35.894 38.460 -0.014 0.000 1.531 231 Y HN 0.180 nan 8.280 nan 0.000 0.640 232 S N -0.642 115.018 115.700 -0.066 0.000 2.601 232 S HA 0.438 4.908 4.470 -0.000 0.000 0.271 232 S C 0.723 175.209 174.600 -0.190 0.000 1.305 232 S CA -0.265 57.864 58.200 -0.117 0.000 1.022 232 S CB 1.532 64.668 63.200 -0.107 0.000 0.940 232 S HN 0.540 nan 8.310 nan 0.000 0.525 233 N N 0.562 119.054 118.700 -0.346 0.000 2.727 233 N HA -0.274 4.466 4.740 -0.000 0.000 0.249 233 N C -0.494 174.815 175.510 -0.334 0.000 1.048 233 N CA 1.121 53.891 53.050 -0.467 0.000 0.714 233 N CB -2.362 36.007 38.487 -0.197 0.000 0.959 233 N HN 0.909 nan 8.380 nan 0.000 0.544 234 Y N -4.133 116.189 120.300 0.037 0.000 4.851 234 Y HA -0.302 4.248 4.550 -0.000 0.000 0.235 234 Y C 1.800 177.823 175.900 0.205 0.000 0.998 234 Y CA 1.253 59.383 58.100 0.051 0.000 1.980 234 Y CB -1.666 36.759 38.460 -0.058 0.000 1.561 234 Y HN 0.709 nan 8.280 nan 0.000 0.585 235 G N -0.765 108.139 108.800 0.174 0.000 2.195 235 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.224 235 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.224 235 G C -0.027 174.863 174.900 -0.017 0.000 0.990 235 G CA -0.079 45.020 45.100 -0.002 0.000 0.639 235 G HN 0.366 nan 8.290 nan 0.000 0.514 236 L N 2.332 123.608 121.223 0.088 0.000 2.334 236 L HA 0.551 4.891 4.340 -0.000 0.000 0.277 236 L C 1.620 178.500 176.870 0.016 0.000 1.075 236 L CA -0.266 54.621 54.840 0.080 0.000 0.804 236 L CB 1.211 43.349 42.059 0.131 0.000 1.174 236 L HN 0.383 nan 8.230 nan 0.000 0.438 237 T N -0.354 114.230 114.554 0.050 0.000 2.701 237 T HA 0.194 4.544 4.350 -0.000 0.000 0.303 237 T C 0.408 175.041 174.700 -0.110 0.000 1.030 237 T CA -0.831 61.242 62.100 -0.045 0.000 1.010 237 T CB 0.505 69.353 68.868 -0.032 0.000 1.007 237 T HN 0.337 nan 8.240 nan 0.000 0.532 238 R N 1.766 122.093 120.500 -0.287 0.000 2.248 238 R HA 0.233 4.572 4.340 -0.000 0.000 0.337 238 R C 0.392 176.569 176.300 -0.205 0.000 1.085 238 R CA -0.258 55.478 56.100 -0.606 0.000 0.934 238 R CB -0.211 29.374 30.300 -1.190 0.000 1.034 238 R HN 0.677 nan 8.270 nan 0.000 0.465 239 R N 3.665 124.194 120.500 0.048 0.000 2.351 239 R HA 0.103 4.443 4.340 -0.000 0.000 0.318 239 R C -0.232 176.257 176.300 0.315 0.000 1.055 239 R CA -0.048 56.182 56.100 0.218 0.000 0.968 239 R CB 0.372 30.862 30.300 0.315 0.000 0.974 239 R HN 0.341 nan 8.270 nan 0.000 0.439 240 I N 7.364 128.059 120.570 0.208 0.000 2.330 240 I HA 0.272 4.441 4.170 -0.000 0.000 0.289 240 I C 0.208 176.419 176.117 0.157 0.000 1.001 240 I CA -0.734 60.713 61.300 0.246 0.000 1.193 240 I CB 1.156 39.209 38.000 0.087 0.000 1.345 240 I HN 0.599 nan 8.210 nan 0.000 0.461 241 I N 5.074 125.785 120.570 0.235 0.000 2.377 241 I HA 0.561 4.731 4.170 -0.000 0.000 0.293 241 I C 0.354 176.547 176.117 0.126 0.000 0.987 241 I CA -0.699 60.688 61.300 0.143 0.000 1.185 241 I CB 1.972 40.066 38.000 0.156 0.000 1.341 241 I HN 0.613 nan 8.210 nan 0.000 0.455 242 A N 5.591 128.370 122.820 -0.068 0.000 2.292 242 A HA 0.586 4.906 4.320 -0.000 0.000 0.319 242 A C -0.753 176.801 177.584 -0.050 0.000 1.206 242 A CA -0.413 51.491 52.037 -0.222 0.000 0.835 242 A CB 1.201 19.683 19.000 -0.862 0.000 1.164 242 A HN 0.854 nan 8.150 nan 0.000 0.505 243 C N 4.080 123.421 119.300 0.068 0.000 2.507 243 C HA 0.894 5.354 4.460 -0.000 0.000 0.319 243 C C -0.765 174.320 174.990 0.158 0.000 1.208 243 C CA -0.598 58.470 59.018 0.083 0.000 1.619 243 C CB 0.169 27.957 27.740 0.080 0.000 2.230 243 C HN 1.056 nan 8.230 nan 0.000 0.492 244 L N 3.087 124.348 121.223 0.063 0.000 2.434 244 L HA 0.742 5.082 4.340 -0.000 0.000 0.260 244 L C -0.941 175.946 176.870 0.028 0.000 0.983 244 L CA -0.414 54.447 54.840 0.036 0.000 0.820 244 L CB 1.691 43.736 42.059 -0.024 0.000 1.361 244 L HN 0.399 nan 8.230 nan 0.000 0.410 245 D N 1.387 121.790 120.400 0.006 0.000 2.283 245 D HA 0.512 5.151 4.640 -0.000 0.000 0.248 245 D C -0.726 175.609 176.300 0.059 0.000 1.072 245 D CA -0.081 53.942 54.000 0.038 0.000 0.929 245 D CB 2.750 43.562 40.800 0.020 0.000 1.182 245 D HN 0.374 nan 8.370 nan 0.000 0.433 246 V N 2.972 122.936 119.914 0.083 0.000 2.380 246 V HA 0.345 4.465 4.120 -0.000 0.000 0.286 246 V C 0.088 176.212 176.094 0.051 0.000 1.015 246 V CA -0.593 61.756 62.300 0.081 0.000 0.834 246 V CB 1.176 33.067 31.823 0.114 0.000 1.009 246 V HN 0.360 nan 8.190 nan 0.000 0.428 247 R N 2.073 122.595 120.500 0.037 0.000 2.873 247 R HA 0.814 5.154 4.340 -0.000 0.000 0.264 247 R C -0.458 175.856 176.300 0.023 0.000 1.026 247 R CA -0.827 55.290 56.100 0.029 0.000 1.002 247 R CB 1.953 32.270 30.300 0.028 0.000 1.174 247 R HN 0.646 nan 8.270 nan 0.000 0.488 248 T N -0.338 114.228 114.554 0.020 0.000 2.842 248 T HA 0.222 4.572 4.350 -0.000 0.000 0.308 248 T C -0.021 174.688 174.700 0.016 0.000 1.041 248 T CA -1.186 60.923 62.100 0.015 0.000 0.964 248 T CB 0.365 69.240 68.868 0.013 0.000 0.972 248 T HN 0.631 nan 8.240 nan 0.000 0.460 249 N N 2.395 121.104 118.700 0.015 0.000 2.285 249 N HA 0.092 4.832 4.740 -0.000 0.000 0.262 249 N C 0.374 175.892 175.510 0.012 0.000 1.299 249 N CA -0.200 52.859 53.050 0.015 0.000 0.930 249 N CB 0.027 38.524 38.487 0.017 0.000 1.157 249 N HN 0.405 nan 8.380 nan 0.000 0.532 250 D N -0.383 120.025 120.400 0.012 0.000 2.177 250 D HA -0.246 4.394 4.640 -0.000 0.000 0.189 250 D C 1.515 177.820 176.300 0.008 0.000 1.002 250 D CA 2.261 56.267 54.000 0.010 0.000 0.845 250 D CB -0.305 40.501 40.800 0.010 0.000 0.960 250 D HN 0.658 nan 8.370 nan 0.000 0.447 251 Q N -0.526 119.279 119.800 0.008 0.000 2.576 251 Q HA 0.017 4.357 4.340 -0.000 0.000 0.218 251 Q C 1.211 177.214 176.000 0.005 0.000 0.983 251 Q CA 0.807 56.614 55.803 0.006 0.000 0.920 251 Q CB 0.004 28.746 28.738 0.006 0.000 0.973 251 Q HN 0.483 nan 8.270 nan 0.000 0.528 252 G N 1.354 110.158 108.800 0.006 0.000 2.143 252 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.249 252 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.249 252 G C -0.620 174.282 174.900 0.003 0.000 0.981 252 G CA 0.186 45.289 45.100 0.005 0.000 0.665 252 G HN 0.372 nan 8.290 nan 0.000 0.528 253 D N -0.517 119.885 120.400 0.005 0.000 2.294 253 D HA 0.626 5.266 4.640 -0.000 0.000 0.250 253 D C 0.337 176.640 176.300 0.006 0.000 1.058 253 D CA -0.450 53.552 54.000 0.003 0.000 0.950 253 D CB 1.042 41.844 40.800 0.005 0.000 1.158 253 D HN 0.055 nan 8.370 nan 0.000 0.453 254 L N 1.518 122.743 121.223 0.004 0.000 2.276 254 L HA 0.480 4.820 4.340 -0.000 0.000 0.286 254 L C -0.188 176.690 176.870 0.013 0.000 1.061 254 L CA -0.325 54.519 54.840 0.007 0.000 0.807 254 L CB 1.013 43.072 42.059 0.000 0.000 1.177 254 L HN 0.284 nan 8.230 nan 0.000 0.429 255 V N 1.518 121.444 119.914 0.019 0.000 3.181 255 V HA 0.591 4.711 4.120 -0.000 0.000 0.308 255 V C 0.112 176.218 176.094 0.019 0.000 1.214 255 V CA -0.676 61.637 62.300 0.021 0.000 1.053 255 V CB 1.882 33.721 31.823 0.026 0.000 1.069 255 V HN 0.319 nan 8.190 nan 0.000 0.441 256 V N -0.229 119.690 119.914 0.008 0.000 2.795 256 V HA 0.112 4.231 4.120 -0.000 0.000 0.243 256 V C 1.217 177.307 176.094 -0.006 0.000 1.069 256 V CA 1.681 63.959 62.300 -0.037 0.000 1.089 256 V CB 0.164 31.899 31.823 -0.147 0.000 0.756 256 V HN 1.010 nan 8.190 nan 0.000 0.471 257 T N 0.480 115.072 114.554 0.063 0.000 2.913 257 T HA 0.137 4.487 4.350 -0.000 0.000 0.287 257 T C 1.081 175.823 174.700 0.068 0.000 1.008 257 T CA -0.330 61.838 62.100 0.113 0.000 1.067 257 T CB 1.596 70.557 68.868 0.156 0.000 0.996 257 T HN 0.250 nan 8.240 nan 0.000 0.513 258 K N 1.013 121.452 120.400 0.065 0.000 2.442 258 K HA -0.026 4.294 4.320 -0.000 0.000 0.198 258 K C 0.638 177.262 176.600 0.039 0.000 1.044 258 K CA 0.541 56.855 56.287 0.045 0.000 0.948 258 K CB -0.174 32.352 32.500 0.042 0.000 0.762 258 K HN 0.718 nan 8.250 nan 0.000 0.472 259 G N 1.029 109.855 108.800 0.043 0.000 2.845 259 G HA2 0.307 4.267 3.960 -0.000 0.000 0.282 259 G HA3 0.307 4.267 3.960 -0.000 0.000 0.282 259 G C -1.575 173.345 174.900 0.034 0.000 1.546 259 G CA -0.616 44.504 45.100 0.034 0.000 1.089 259 G HN 0.115 nan 8.290 nan 0.000 0.558 277 G N 0.908 109.704 108.800 -0.007 0.000 2.598 277 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.215 277 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.215 277 G C 1.216 176.116 174.900 -0.000 0.000 1.131 277 G CA 0.741 45.838 45.100 -0.005 0.000 0.785 277 G HN 0.409 nan 8.290 nan 0.000 0.539 278 K N 0.554 120.956 120.400 0.004 0.000 2.007 278 K HA -0.031 4.289 4.320 -0.000 0.000 0.206 278 K C -0.252 176.347 176.600 -0.002 0.000 1.047 278 K CA 1.163 57.452 56.287 0.003 0.000 0.937 278 K CB -0.608 31.899 32.500 0.012 0.000 0.718 278 K HN 0.190 nan 8.250 nan 0.000 0.438 279 P HA -0.125 nan 4.420 nan 0.000 0.216 279 P C 1.477 178.839 177.300 0.103 0.000 1.153 279 P CA 0.921 64.063 63.100 0.069 0.000 0.848 279 P CB 0.105 31.868 31.700 0.106 0.000 0.787 280 V N -0.193 119.756 119.914 0.059 0.000 2.233 280 V HA -0.311 3.809 4.120 -0.000 0.000 0.247 280 V C 2.516 178.621 176.094 0.019 0.000 1.050 280 V CA 1.971 64.300 62.300 0.048 0.000 1.010 280 V CB -1.315 30.508 31.823 -0.000 0.000 0.637 280 V HN 0.146 nan 8.190 nan 0.000 0.444 281 Q N -0.931 118.865 119.800 -0.007 0.000 2.096 281 Q HA -0.257 4.083 4.340 -0.000 0.000 0.204 281 Q C 2.234 178.190 176.000 -0.073 0.000 0.982 281 Q CA 1.937 57.726 55.803 -0.024 0.000 0.850 281 Q CB -0.356 28.372 28.738 -0.016 0.000 0.901 281 Q HN 0.514 nan 8.270 nan 0.000 0.422 282 L N 0.476 121.619 121.223 -0.133 0.000 2.046 282 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 282 L C 2.135 178.710 176.870 -0.492 0.000 1.077 282 L CA 2.098 56.735 54.840 -0.338 0.000 0.747 282 L CB -0.856 40.972 42.059 -0.386 0.000 0.896 282 L HN 0.140 nan 8.230 nan 0.000 0.432 283 A N -1.165 121.499 122.820 -0.260 0.000 1.908 283 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 283 A C 2.197 179.780 177.584 -0.001 0.000 1.181 283 A CA 1.921 53.878 52.037 -0.133 0.000 0.627 283 A CB -0.587 18.458 19.000 0.076 0.000 0.818 283 A HN 0.667 nan 8.150 nan 0.000 0.445 284 Q N -0.736 119.067 119.800 0.005 0.000 2.084 284 Q HA -0.185 4.154 4.340 -0.000 0.000 0.202 284 Q C 2.221 178.287 176.000 0.110 0.000 0.978 284 Q CA 1.671 57.520 55.803 0.078 0.000 0.844 284 Q CB -0.189 28.574 28.738 0.042 0.000 0.898 284 Q HN 0.738 nan 8.270 nan 0.000 0.426 285 K N 0.464 120.874 120.400 0.017 0.000 2.002 285 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 285 K C 1.885 178.563 176.600 0.130 0.000 1.048 285 K CA 1.338 57.646 56.287 0.035 0.000 0.930 285 K CB -0.218 32.267 32.500 -0.026 0.000 0.714 285 K HN 0.296 nan 8.250 nan 0.000 0.438 286 Y N -0.785 119.511 120.300 -0.006 0.000 2.081 286 Y HA -0.348 4.202 4.550 -0.000 0.000 0.280 286 Y C 2.531 178.399 175.900 -0.053 0.000 1.163 286 Y CA 1.197 59.254 58.100 -0.070 0.000 1.135 286 Y CB -0.419 37.989 38.460 -0.087 0.000 0.970 286 Y HN 0.266 nan 8.280 nan 0.000 0.498 287 Y N 1.453 121.802 120.300 0.082 0.000 2.165 287 Y HA -0.310 4.239 4.550 -0.000 0.000 0.286 287 Y C 2.263 178.163 175.900 0.000 0.000 1.155 287 Y CA 1.789 59.899 58.100 0.016 0.000 1.164 287 Y CB -0.675 37.792 38.460 0.012 0.000 0.978 287 Y HN 0.164 nan 8.280 nan 0.000 0.513 288 Q N -0.259 119.456 119.800 -0.143 0.000 2.291 288 Q HA -0.173 4.167 4.340 -0.000 0.000 0.205 288 Q C 1.378 177.264 176.000 -0.190 0.000 0.970 288 Q CA 1.397 57.059 55.803 -0.236 0.000 0.876 288 Q CB -0.082 28.628 28.738 -0.047 0.000 0.935 288 Q HN 0.663 nan 8.270 nan 0.000 0.455 289 Q N -0.933 118.794 119.800 -0.122 0.000 2.212 289 Q HA 0.167 4.507 4.340 -0.000 0.000 0.213 289 Q C 0.499 176.388 176.000 -0.186 0.000 0.874 289 Q CA 0.329 56.061 55.803 -0.118 0.000 0.965 289 Q CB 0.919 29.621 28.738 -0.060 0.000 1.074 289 Q HN 0.479 nan 8.270 nan 0.000 0.473 290 G N 0.708 109.366 108.800 -0.235 0.000 2.175 290 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.244 290 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.244 290 G C 0.352 175.100 174.900 -0.255 0.000 0.982 290 G CA -0.137 44.810 45.100 -0.255 0.000 0.641 290 G HN 0.560 nan 8.290 nan 0.000 0.527 291 A N 0.371 123.054 122.820 -0.228 0.000 2.567 291 A HA 0.444 4.763 4.320 -0.000 0.000 0.240 291 A C 1.201 178.722 177.584 -0.105 0.000 1.053 291 A CA 1.055 52.968 52.037 -0.208 0.000 0.755 291 A CB 0.249 19.146 19.000 -0.172 0.000 0.978 291 A HN 0.246 nan 8.150 nan 0.000 0.507 292 D N 0.418 120.762 120.400 -0.093 0.000 2.347 292 D HA 0.062 4.702 4.640 -0.000 0.000 0.213 292 D C 0.537 176.960 176.300 0.206 0.000 0.985 292 D CA 1.210 55.196 54.000 -0.022 0.000 0.879 292 D CB 0.410 41.199 40.800 -0.019 0.000 0.919 292 D HN 0.826 nan 8.370 nan 0.000 0.526 293 E N -0.377 119.890 120.200 0.111 0.000 2.401 293 E HA 0.268 4.618 4.350 -0.000 0.000 0.283 293 E C -2.007 174.613 176.600 0.034 0.000 1.053 293 E CA -0.512 55.943 56.400 0.091 0.000 0.842 293 E CB 1.660 31.435 29.700 0.125 0.000 1.222 293 E HN -0.286 nan 8.360 nan 0.000 0.429 294 V N 2.435 122.353 119.914 0.005 0.000 2.487 294 V HA 0.483 4.603 4.120 -0.000 0.000 0.298 294 V C -0.418 175.586 176.094 -0.149 0.000 1.028 294 V CA -0.546 61.704 62.300 -0.083 0.000 0.860 294 V CB 1.827 33.570 31.823 -0.134 0.000 0.991 294 V HN 0.724 nan 8.190 nan 0.000 0.427 295 T N 5.509 119.964 114.554 -0.165 0.000 2.779 295 T HA 0.647 4.997 4.350 -0.000 0.000 0.280 295 T C -0.712 173.871 174.700 -0.196 0.000 0.987 295 T CA -0.059 61.986 62.100 -0.091 0.000 0.966 295 T CB 0.524 69.399 68.868 0.011 0.000 0.933 295 T HN 0.305 nan 8.240 nan 0.000 0.442 296 F N 2.850 122.834 119.950 0.058 0.000 2.415 296 F HA 0.464 4.991 4.527 -0.000 0.000 0.348 296 F C 0.248 176.063 175.800 0.025 0.000 1.119 296 F CA -1.085 56.942 58.000 0.045 0.000 1.069 296 F CB 0.893 39.916 39.000 0.039 0.000 1.124 296 F HN 0.215 nan 8.300 nan 0.000 0.472 297 L N 3.881 125.211 121.223 0.177 0.000 2.270 297 L HA 0.262 4.602 4.340 -0.000 0.000 0.286 297 L C 0.190 177.119 176.870 0.099 0.000 1.059 297 L CA -0.255 54.646 54.840 0.102 0.000 0.839 297 L CB 0.429 42.527 42.059 0.065 0.000 1.221 297 L HN 0.659 nan 8.230 nan 0.000 0.431 298 N N 5.181 123.927 118.700 0.077 0.000 2.399 298 N HA 0.185 4.925 4.740 -0.000 0.000 0.259 298 N C 0.421 175.953 175.510 0.038 0.000 1.160 298 N CA -0.253 52.833 53.050 0.060 0.000 0.946 298 N CB 0.560 39.074 38.487 0.044 0.000 1.156 298 N HN 0.623 nan 8.380 nan 0.000 0.489 299 I N 0.646 121.241 120.570 0.041 0.000 3.658 299 I HA 0.171 4.341 4.170 -0.000 0.000 0.328 299 I C 0.628 176.763 176.117 0.030 0.000 1.567 299 I CA -0.752 60.567 61.300 0.031 0.000 1.078 299 I CB -0.067 37.951 38.000 0.030 0.000 1.267 299 I HN 0.261 nan 8.210 nan 0.000 0.495 306 P HA 0.115 nan 4.420 nan 0.000 0.268 306 P C 0.878 178.165 177.300 -0.021 0.000 1.208 306 P CA -0.216 62.877 63.100 -0.013 0.000 0.777 306 P CB 0.514 32.205 31.700 -0.014 0.000 0.875 307 L N 3.644 124.856 121.223 -0.019 0.000 2.013 307 L HA -0.234 4.105 4.340 -0.000 0.000 0.212 307 L C 1.780 178.611 176.870 -0.065 0.000 1.073 307 L CA 1.971 56.792 54.840 -0.030 0.000 0.753 307 L CB -0.964 41.086 42.059 -0.016 0.000 0.890 307 L HN 0.305 nan 8.230 nan 0.000 0.432 308 K N -0.688 119.680 120.400 -0.054 0.000 2.218 308 K HA -0.160 4.159 4.320 -0.000 0.000 0.205 308 K C 0.805 177.359 176.600 -0.077 0.000 1.046 308 K CA 1.521 57.769 56.287 -0.066 0.000 0.933 308 K CB -0.349 32.126 32.500 -0.042 0.000 0.728 308 K HN 0.466 nan 8.250 nan 0.000 0.454 309 D N 0.755 121.116 120.400 -0.064 0.000 2.424 309 D HA 0.026 4.666 4.640 -0.000 0.000 0.220 309 D C -0.370 175.888 176.300 -0.069 0.000 1.150 309 D CA 0.152 54.115 54.000 -0.062 0.000 0.831 309 D CB 0.429 41.205 40.800 -0.041 0.000 0.981 309 D HN 0.013 nan 8.370 nan 0.000 0.500 310 T N 2.468 116.967 114.554 -0.090 0.000 2.871 310 T HA 0.017 4.367 4.350 -0.000 0.000 0.296 310 T C -1.398 173.244 174.700 -0.096 0.000 0.998 310 T CA -0.709 61.341 62.100 -0.083 0.000 1.162 310 T CB 1.437 70.240 68.868 -0.108 0.000 0.947 310 T HN -0.007 nan 8.240 nan 0.000 0.536 311 P HA -0.092 nan 4.420 nan 0.000 0.218 311 P C 1.677 178.927 177.300 -0.084 0.000 1.148 311 P CA 0.475 63.537 63.100 -0.063 0.000 0.822 311 P CB 0.040 31.719 31.700 -0.036 0.000 0.784 312 M N -0.772 118.789 119.600 -0.064 0.000 2.149 312 M HA -0.144 4.335 4.480 -0.000 0.000 0.261 312 M C 1.735 177.942 176.300 -0.154 0.000 1.064 312 M CA 1.792 57.053 55.300 -0.065 0.000 1.102 312 M CB -1.365 31.281 32.600 0.077 0.000 1.369 312 M HN -0.170 nan 8.290 nan 0.000 0.408 313 L N -0.627 120.455 121.223 -0.235 0.000 2.127 313 L HA -0.196 4.143 4.340 -0.000 0.000 0.211 313 L C 2.349 179.091 176.870 -0.213 0.000 1.089 313 L CA 1.373 56.025 54.840 -0.313 0.000 0.757 313 L CB -0.829 40.999 42.059 -0.385 0.000 0.899 313 L HN 0.319 nan 8.230 nan 0.000 0.434 314 E N 0.005 120.104 120.200 -0.168 0.000 2.152 314 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 314 E C 2.083 178.594 176.600 -0.148 0.000 0.983 314 E CA 0.792 57.112 56.400 -0.133 0.000 0.818 314 E CB 0.002 29.643 29.700 -0.098 0.000 0.758 314 E HN 0.199 nan 8.360 nan 0.000 0.467 315 V N 0.776 120.579 119.914 -0.185 0.000 2.295 315 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 315 V C 2.460 178.362 176.094 -0.320 0.000 1.049 315 V CA 1.725 63.884 62.300 -0.235 0.000 1.024 315 V CB -0.588 31.051 31.823 -0.307 0.000 0.648 315 V HN 0.284 nan 8.190 nan 0.000 0.447 316 L N -0.197 120.792 121.223 -0.390 0.000 2.012 316 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 316 L C 2.638 179.397 176.870 -0.186 0.000 1.073 316 L CA 2.198 56.834 54.840 -0.340 0.000 0.748 316 L CB -0.643 41.270 42.059 -0.243 0.000 0.891 316 L HN 0.315 nan 8.230 nan 0.000 0.431 317 K N -0.577 119.730 120.400 -0.156 0.000 2.063 317 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 317 K C 2.283 178.820 176.600 -0.104 0.000 1.048 317 K CA 1.324 57.544 56.287 -0.112 0.000 0.928 317 K CB 0.083 32.524 32.500 -0.099 0.000 0.713 317 K HN 0.221 nan 8.250 nan 0.000 0.442 318 Q N -0.173 119.562 119.800 -0.107 0.000 2.079 318 Q HA -0.068 4.272 4.340 -0.000 0.000 0.200 318 Q C 2.111 178.052 176.000 -0.097 0.000 0.974 318 Q CA 1.491 57.242 55.803 -0.087 0.000 0.840 318 Q CB -0.273 28.422 28.738 -0.072 0.000 0.898 318 Q HN 0.425 nan 8.270 nan 0.000 0.430 319 A N 1.078 123.837 122.820 -0.100 0.000 1.930 319 A HA -0.033 4.286 4.320 -0.000 0.000 0.217 319 A C 2.245 179.724 177.584 -0.175 0.000 1.175 319 A CA 1.642 53.632 52.037 -0.078 0.000 0.627 319 A CB -0.588 18.442 19.000 0.050 0.000 0.815 319 A HN 0.336 nan 8.150 nan 0.000 0.443 320 A N -0.395 122.319 122.820 -0.178 0.000 2.178 320 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 320 A C 1.940 179.313 177.584 -0.351 0.000 1.157 320 A CA 1.552 53.438 52.037 -0.252 0.000 0.689 320 A CB -0.396 18.515 19.000 -0.149 0.000 0.787 320 A HN 0.579 nan 8.150 nan 0.000 0.465 321 K N -0.908 119.332 120.400 -0.266 0.000 2.217 321 K HA -0.065 4.255 4.320 -0.000 0.000 0.202 321 K C 1.633 178.006 176.600 -0.378 0.000 1.051 321 K CA 1.625 57.781 56.287 -0.219 0.000 0.952 321 K CB 0.025 32.467 32.500 -0.096 0.000 0.736 321 K HN 0.708 nan 8.250 nan 0.000 0.453 322 T N -3.796 110.443 114.554 -0.525 0.000 2.969 322 T HA 0.152 4.501 4.350 -0.000 0.000 0.258 322 T C 0.411 174.543 174.700 -0.947 0.000 0.962 322 T CA -0.433 61.321 62.100 -0.577 0.000 0.903 322 T CB 0.363 69.114 68.868 -0.195 0.000 1.177 322 T HN -0.223 nan 8.240 nan 0.000 0.511 323 V N 3.264 122.600 119.914 -0.964 0.000 2.338 323 V HA 0.381 4.500 4.120 -0.000 0.000 0.255 323 V C -0.564 174.891 176.094 -1.065 0.000 1.082 323 V CA -0.475 61.158 62.300 -1.111 0.000 0.951 323 V CB -0.905 30.607 31.823 -0.518 0.000 1.102 323 V HN 0.471 nan 8.190 nan 0.000 0.489 324 F N 5.040 124.517 119.950 -0.788 0.000 2.759 324 F HA 0.428 4.954 4.527 -0.000 0.000 0.322 324 F C 0.452 176.230 175.800 -0.037 0.000 1.199 324 F CA -0.465 57.382 58.000 -0.255 0.000 1.272 324 F CB 0.382 39.338 39.000 -0.073 0.000 1.467 324 F HN 0.390 nan 8.300 nan 0.000 0.561 325 V N -2.911 117.016 119.914 0.022 0.000 3.181 325 V HA 0.690 4.810 4.120 -0.000 0.000 0.308 325 V C -2.916 173.141 176.094 -0.062 0.000 1.214 325 V CA -3.395 58.973 62.300 0.112 0.000 1.053 325 V CB 1.917 33.893 31.823 0.255 0.000 1.069 325 V HN -0.162 nan 8.190 nan 0.000 0.441 326 P HA 0.385 nan 4.420 nan 0.000 0.266 326 P C -1.205 176.065 177.300 -0.050 0.000 1.195 326 P CA 0.252 63.223 63.100 -0.215 0.000 0.768 326 P CB 0.273 31.731 31.700 -0.402 0.000 0.838 327 L N 2.797 124.025 121.223 0.008 0.000 2.346 327 L HA 0.546 4.886 4.340 -0.000 0.000 0.276 327 L C 0.345 177.304 176.870 0.148 0.000 1.006 327 L CA 0.234 55.149 54.840 0.124 0.000 0.817 327 L CB 1.811 43.994 42.059 0.206 0.000 1.272 327 L HN 0.233 nan 8.230 nan 0.000 0.421 328 T N 1.853 116.518 114.554 0.185 0.000 2.863 328 T HA 0.683 5.032 4.350 -0.000 0.000 0.285 328 T C -1.261 173.580 174.700 0.235 0.000 1.009 328 T CA -0.514 61.686 62.100 0.166 0.000 0.989 328 T CB 2.159 71.091 68.868 0.107 0.000 1.004 328 T HN 0.351 nan 8.240 nan 0.000 0.455 329 V N 2.232 122.240 119.914 0.156 0.000 2.577 329 V HA 0.903 5.023 4.120 -0.000 0.000 0.303 329 V C -0.353 175.725 176.094 -0.025 0.000 1.042 329 V CA -0.183 62.183 62.300 0.110 0.000 0.872 329 V CB 1.507 33.358 31.823 0.047 0.000 0.998 329 V HN 1.030 nan 8.190 nan 0.000 0.423 330 G N 3.501 112.296 108.800 -0.009 0.000 2.590 330 G HA2 0.739 4.699 3.960 -0.000 0.000 0.310 330 G HA3 0.739 4.699 3.960 -0.000 0.000 0.310 330 G C -0.110 174.751 174.900 -0.066 0.000 1.347 330 G CA -0.357 44.711 45.100 -0.053 0.000 0.963 330 G HN 1.840 nan 8.290 nan 0.000 0.494 331 G N -0.488 108.248 108.800 -0.107 0.000 3.400 331 G HA2 0.499 4.459 3.960 -0.000 0.000 0.679 331 G HA3 0.499 4.459 3.960 -0.000 0.000 0.679 331 G C 0.741 175.569 174.900 -0.119 0.000 1.239 331 G CA 0.667 45.718 45.100 -0.081 0.000 1.049 331 G HN 2.488 nan 8.290 nan 0.000 0.539 332 G N 0.276 109.023 108.800 -0.088 0.000 2.175 332 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.244 332 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.244 332 G C 0.431 175.264 174.900 -0.112 0.000 0.982 332 G CA 0.334 45.393 45.100 -0.068 0.000 0.641 332 G HN 1.597 nan 8.290 nan 0.000 0.527 333 I N 2.199 122.663 120.570 -0.176 0.000 2.241 333 I HA 0.408 4.578 4.170 -0.000 0.000 0.294 333 I C 0.707 176.773 176.117 -0.086 0.000 1.145 333 I CA 0.182 61.370 61.300 -0.186 0.000 1.261 333 I CB -0.652 37.191 38.000 -0.261 0.000 1.475 333 I HN 0.560 nan 8.210 nan 0.000 0.533 334 K N 2.679 123.055 120.400 -0.040 0.000 2.614 334 K HA 0.446 4.766 4.320 -0.000 0.000 0.293 334 K C -1.383 175.226 176.600 0.015 0.000 1.045 334 K CA -0.985 55.300 56.287 -0.002 0.000 0.880 334 K CB 1.292 33.801 32.500 0.014 0.000 1.552 334 K HN -0.061 nan 8.250 nan 0.000 0.404 335 D N 1.637 122.055 120.400 0.030 0.000 2.425 335 D HA 0.283 4.923 4.640 -0.000 0.000 0.247 335 D C 0.188 176.507 176.300 0.031 0.000 1.147 335 D CA 0.278 54.297 54.000 0.032 0.000 0.879 335 D CB 0.553 41.374 40.800 0.036 0.000 1.179 335 D HN 0.523 nan 8.370 nan 0.000 0.456 336 I N -2.317 118.270 120.570 0.029 0.000 3.074 336 I HA 0.555 4.725 4.170 -0.000 0.000 0.310 336 I C -1.145 174.986 176.117 0.024 0.000 1.153 336 I CA -1.165 60.151 61.300 0.028 0.000 0.993 336 I CB 2.177 40.195 38.000 0.030 0.000 1.237 336 I HN -0.076 nan 8.210 nan 0.000 0.443 337 V N 3.013 122.940 119.914 0.022 0.000 2.357 337 V HA 0.306 4.426 4.120 -0.000 0.000 0.284 337 V C -0.027 176.076 176.094 0.016 0.000 1.018 337 V CA -0.293 62.017 62.300 0.018 0.000 0.841 337 V CB 0.904 32.736 31.823 0.016 0.000 0.991 337 V HN 0.741 nan 8.190 nan 0.000 0.437 338 D N 2.768 123.177 120.400 0.014 0.000 2.349 338 D HA 0.075 4.715 4.640 -0.000 0.000 0.239 338 D C 1.257 177.563 176.300 0.009 0.000 1.315 338 D CA 0.005 54.011 54.000 0.010 0.000 0.937 338 D CB 1.576 42.380 40.800 0.007 0.000 1.133 338 D HN 0.210 nan 8.370 nan 0.000 0.489 339 V N 0.693 120.610 119.914 0.006 0.000 2.626 339 V HA -0.213 3.907 4.120 -0.000 0.000 0.252 339 V C 1.205 177.302 176.094 0.005 0.000 1.067 339 V CA 2.098 64.400 62.300 0.005 0.000 1.081 339 V CB -0.705 31.119 31.823 0.002 0.000 0.686 339 V HN 0.552 nan 8.190 nan 0.000 0.468 340 D N -0.580 119.823 120.400 0.004 0.000 2.325 340 D HA 0.260 4.900 4.640 -0.000 0.000 0.225 340 D C 1.535 177.839 176.300 0.006 0.000 1.096 340 D CA 0.715 54.718 54.000 0.005 0.000 0.844 340 D CB 0.172 40.974 40.800 0.004 0.000 0.925 340 D HN 0.335 nan 8.370 nan 0.000 0.513 341 G N -0.312 108.492 108.800 0.007 0.000 2.205 341 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.261 341 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.261 341 G C 0.493 175.399 174.900 0.010 0.000 0.980 341 G CA 0.328 45.433 45.100 0.008 0.000 0.632 341 G HN 0.440 nan 8.290 nan 0.000 0.533 342 T N 2.269 116.829 114.554 0.009 0.000 2.867 342 T HA 0.361 4.711 4.350 -0.000 0.000 0.297 342 T C 0.570 175.278 174.700 0.013 0.000 0.989 342 T CA 0.386 62.492 62.100 0.011 0.000 1.159 342 T CB 0.883 69.757 68.868 0.010 0.000 0.928 342 T HN 0.339 nan 8.240 nan 0.000 0.538 343 K N 3.668 124.077 120.400 0.015 0.000 2.316 343 K HA 0.338 4.658 4.320 -0.000 0.000 0.289 343 K C -0.264 176.348 176.600 0.020 0.000 1.070 343 K CA -0.102 56.195 56.287 0.017 0.000 0.928 343 K CB 0.538 33.048 32.500 0.017 0.000 1.039 343 K HN 0.552 nan 8.250 nan 0.000 0.480 344 I N 6.425 127.008 120.570 0.022 0.000 2.382 344 I HA 0.237 4.406 4.170 -0.000 0.000 0.285 344 I C -2.010 174.124 176.117 0.029 0.000 1.007 344 I CA -2.558 58.757 61.300 0.025 0.000 1.142 344 I CB 1.619 39.634 38.000 0.024 0.000 1.289 344 I HN 0.377 nan 8.210 nan 0.000 0.453 345 P HA 0.083 nan 4.420 nan 0.000 0.272 345 P C 0.619 177.939 177.300 0.034 0.000 1.223 345 P CA -0.152 62.969 63.100 0.034 0.000 0.784 345 P CB 1.400 33.123 31.700 0.038 0.000 0.923 346 A N 2.681 125.519 122.820 0.030 0.000 1.940 346 A HA -0.251 4.069 4.320 -0.000 0.000 0.221 346 A C 2.044 179.638 177.584 0.016 0.000 1.190 346 A CA 2.222 54.268 52.037 0.015 0.000 0.647 346 A CB -1.750 17.259 19.000 0.016 0.000 0.821 346 A HN 0.581 nan 8.150 nan 0.000 0.457 347 L N 0.037 121.292 121.223 0.053 0.000 2.043 347 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 347 L C 2.157 179.087 176.870 0.100 0.000 1.075 347 L CA 2.690 57.591 54.840 0.102 0.000 0.752 347 L CB -0.688 41.447 42.059 0.127 0.000 0.891 347 L HN 0.571 nan 8.230 nan 0.000 0.432 348 E N -1.216 119.028 120.200 0.074 0.000 2.152 348 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 348 E C 2.136 178.757 176.600 0.036 0.000 0.983 348 E CA 1.161 57.603 56.400 0.069 0.000 0.818 348 E CB -0.100 29.634 29.700 0.056 0.000 0.758 348 E HN 0.445 nan 8.360 nan 0.000 0.467 349 V N 1.631 121.560 119.914 0.025 0.000 2.295 349 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 349 V C 2.405 178.516 176.094 0.028 0.000 1.049 349 V CA 1.873 64.203 62.300 0.049 0.000 1.024 349 V CB -0.799 31.055 31.823 0.051 0.000 0.648 349 V HN 0.295 nan 8.190 nan 0.000 0.447 350 A N 0.037 122.769 122.820 -0.146 0.000 1.883 350 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 350 A C 2.486 179.666 177.584 -0.674 0.000 1.186 350 A CA 2.323 54.044 52.037 -0.527 0.000 0.624 350 A CB -0.866 17.759 19.000 -0.625 0.000 0.822 350 A HN 0.509 nan 8.150 nan 0.000 0.444 351 S N -0.487 115.067 115.700 -0.243 0.000 2.387 351 S HA -0.171 4.299 4.470 -0.000 0.000 0.230 351 S C 1.814 176.423 174.600 0.016 0.000 1.035 351 S CA 1.497 59.717 58.200 0.034 0.000 1.014 351 S CB -0.431 62.916 63.200 0.244 0.000 0.836 351 S HN 0.454 nan 8.310 nan 0.000 0.466 352 L N 0.510 121.713 121.223 -0.033 0.000 2.027 352 L HA -0.024 4.315 4.340 -0.000 0.000 0.206 352 L C 1.885 178.674 176.870 -0.135 0.000 1.074 352 L CA 1.760 56.555 54.840 -0.075 0.000 0.745 352 L CB -0.891 41.098 42.059 -0.118 0.000 0.898 352 L HN 0.257 nan 8.230 nan 0.000 0.433 353 Y N -1.261 118.921 120.300 -0.198 0.000 2.200 353 Y HA -0.222 4.328 4.550 -0.000 0.000 0.290 353 Y C 2.310 178.180 175.900 -0.050 0.000 1.137 353 Y CA 2.006 60.002 58.100 -0.174 0.000 1.163 353 Y CB -0.605 37.699 38.460 -0.261 0.000 0.988 353 Y HN 0.125 nan 8.280 nan 0.000 0.518 354 F N -0.104 119.863 119.950 0.027 0.000 2.069 354 F HA -0.278 4.248 4.527 -0.000 0.000 0.298 354 F C 2.352 178.133 175.800 -0.032 0.000 1.113 354 F CA 1.007 58.972 58.000 -0.058 0.000 1.214 354 F CB -0.393 38.494 39.000 -0.188 0.000 0.978 354 F HN -0.107 nan 8.300 nan 0.000 0.474 355 R N -0.077 120.536 120.500 0.188 0.000 2.241 355 R HA -0.104 4.236 4.340 -0.000 0.000 0.224 355 R C 1.941 178.260 176.300 0.032 0.000 1.101 355 R CA 1.220 57.377 56.100 0.096 0.000 0.995 355 R CB -0.409 29.935 30.300 0.075 0.000 0.870 355 R HN 0.147 nan 8.270 nan 0.000 0.463 356 S N -1.243 114.460 115.700 0.004 0.000 2.501 356 S HA 0.115 4.584 4.470 -0.000 0.000 0.220 356 S C 1.288 175.865 174.600 -0.037 0.000 0.997 356 S CA 0.827 58.995 58.200 -0.054 0.000 0.919 356 S CB 1.032 64.144 63.200 -0.147 0.000 0.778 356 S HN 0.672 nan 8.310 nan 0.000 0.523 357 G N 0.443 109.252 108.800 0.015 0.000 2.672 357 G HA2 0.061 4.021 3.960 -0.000 0.000 0.197 357 G HA3 0.061 4.021 3.960 -0.000 0.000 0.197 357 G C 0.101 175.029 174.900 0.047 0.000 0.995 357 G CA -0.245 44.856 45.100 0.001 0.000 0.754 357 G HN 0.650 nan 8.290 nan 0.000 0.505 358 A N 0.497 123.395 122.820 0.131 0.000 2.371 358 A HA 0.599 4.919 4.320 -0.000 0.000 0.257 358 A C 0.785 178.485 177.584 0.193 0.000 1.089 358 A CA 0.729 52.889 52.037 0.204 0.000 0.794 358 A CB 0.404 19.577 19.000 0.289 0.000 1.029 358 A HN 0.137 nan 8.150 nan 0.000 0.488 359 D N 0.296 120.749 120.400 0.089 0.000 2.454 359 D HA 0.144 4.784 4.640 -0.000 0.000 0.219 359 D C -0.072 176.168 176.300 -0.101 0.000 1.081 359 D CA 0.888 54.828 54.000 -0.100 0.000 0.867 359 D CB 0.527 41.262 40.800 -0.109 0.000 1.054 359 D HN 0.552 nan 8.370 nan 0.000 0.500 360 K N 0.608 121.090 120.400 0.137 0.000 2.532 360 K HA 0.453 4.773 4.320 -0.000 0.000 0.265 360 K C -0.979 175.771 176.600 0.251 0.000 0.948 360 K CA -0.787 55.616 56.287 0.194 0.000 0.842 360 K CB 3.540 36.103 32.500 0.104 0.000 1.392 360 K HN -0.224 nan 8.250 nan 0.000 0.436 361 V N -1.571 118.465 119.914 0.204 0.000 2.628 361 V HA 0.609 4.729 4.120 -0.000 0.000 0.306 361 V C -0.390 175.709 176.094 0.008 0.000 1.045 361 V CA -0.752 61.564 62.300 0.026 0.000 0.905 361 V CB 1.688 33.439 31.823 -0.120 0.000 0.997 361 V HN 0.698 nan 8.190 nan 0.000 0.436 362 S N 4.706 120.387 115.700 -0.032 0.000 2.429 362 S HA 0.694 5.164 4.470 -0.000 0.000 0.302 362 S C -0.513 174.059 174.600 -0.047 0.000 1.115 362 S CA -0.683 57.504 58.200 -0.022 0.000 1.095 362 S CB 0.369 63.564 63.200 -0.009 0.000 0.987 362 S HN 0.620 nan 8.310 nan 0.000 0.474 363 I N 5.222 125.771 120.570 -0.035 0.000 2.336 363 I HA 0.394 4.564 4.170 -0.000 0.000 0.292 363 I C 1.164 177.254 176.117 -0.045 0.000 0.991 363 I CA -0.260 61.014 61.300 -0.044 0.000 1.227 363 I CB 0.735 38.716 38.000 -0.032 0.000 1.366 363 I HN 0.846 nan 8.210 nan 0.000 0.466 364 G N 3.819 112.584 108.800 -0.058 0.000 2.529 364 G HA2 0.018 3.978 3.960 -0.000 0.000 0.220 364 G HA3 0.018 3.978 3.960 -0.000 0.000 0.220 364 G C 1.019 175.853 174.900 -0.110 0.000 1.976 364 G CA 0.393 45.454 45.100 -0.066 0.000 0.789 364 G HN 0.468 nan 8.290 nan 0.000 0.695 365 T N 1.468 115.934 114.554 -0.146 0.000 2.635 365 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 365 T C 1.954 176.387 174.700 -0.444 0.000 1.040 365 T CA 1.782 63.706 62.100 -0.294 0.000 1.156 365 T CB -0.418 68.290 68.868 -0.267 0.000 0.863 365 T HN 0.169 nan 8.240 nan 0.000 0.430 366 D N 0.991 121.246 120.400 -0.241 0.000 2.190 366 D HA -0.076 4.564 4.640 -0.000 0.000 0.200 366 D C 2.260 178.518 176.300 -0.069 0.000 0.992 366 D CA 1.123 55.061 54.000 -0.103 0.000 0.854 366 D CB -0.326 40.489 40.800 0.026 0.000 0.936 366 D HN 0.425 nan 8.370 nan 0.000 0.462 367 A N 0.405 123.172 122.820 -0.087 0.000 1.940 367 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 367 A C 2.534 180.101 177.584 -0.029 0.000 1.176 367 A CA 1.201 53.211 52.037 -0.045 0.000 0.631 367 A CB -0.533 18.439 19.000 -0.047 0.000 0.814 367 A HN 0.173 nan 8.150 nan 0.000 0.446 368 V N -1.468 118.389 119.914 -0.094 0.000 2.379 368 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 368 V C 2.297 178.452 176.094 0.102 0.000 1.044 368 V CA 1.687 63.972 62.300 -0.025 0.000 1.036 368 V CB -1.204 30.560 31.823 -0.099 0.000 0.664 368 V HN 0.707 nan 8.190 nan 0.000 0.453 369 Y N 0.590 120.931 120.300 0.068 0.000 2.128 369 Y HA -0.246 4.304 4.550 -0.000 0.000 0.284 369 Y C 2.676 178.620 175.900 0.074 0.000 1.154 369 Y CA 0.836 58.977 58.100 0.069 0.000 1.149 369 Y CB -0.463 38.028 38.460 0.051 0.000 0.976 369 Y HN 0.253 nan 8.280 nan 0.000 0.505 370 A N 0.601 123.548 122.820 0.212 0.000 1.865 370 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 370 A C 2.431 180.092 177.584 0.128 0.000 1.191 370 A CA 2.019 54.138 52.037 0.136 0.000 0.623 370 A CB -1.316 17.727 19.000 0.072 0.000 0.826 370 A HN 0.450 nan 8.150 nan 0.000 0.444 371 A N -0.302 122.580 122.820 0.103 0.000 1.883 371 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 371 A C 1.929 179.671 177.584 0.264 0.000 1.186 371 A CA 1.868 53.968 52.037 0.105 0.000 0.624 371 A CB -0.679 18.409 19.000 0.146 0.000 0.822 371 A HN 0.670 nan 8.150 nan 0.000 0.444 372 E N -0.595 119.781 120.200 0.295 0.000 2.038 372 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 372 E C 2.158 178.913 176.600 0.259 0.000 1.000 372 E CA 1.497 58.091 56.400 0.323 0.000 0.803 372 E CB -0.187 29.670 29.700 0.261 0.000 0.750 372 E HN 0.670 nan 8.360 nan 0.000 0.448 373 K N 0.411 120.926 120.400 0.192 0.000 2.057 373 K HA -0.231 4.089 4.320 -0.000 0.000 0.207 373 K C 2.207 178.868 176.600 0.101 0.000 1.049 373 K CA 1.272 57.635 56.287 0.128 0.000 0.931 373 K CB -0.265 32.298 32.500 0.105 0.000 0.714 373 K HN 0.117 nan 8.250 nan 0.000 0.440 374 Y N 0.469 120.744 120.300 -0.043 0.000 2.139 374 Y HA -0.332 4.218 4.550 -0.000 0.000 0.282 374 Y C 1.555 177.339 175.900 -0.195 0.000 1.179 374 Y CA 2.101 60.096 58.100 -0.175 0.000 1.161 374 Y CB -0.432 37.822 38.460 -0.344 0.000 0.970 374 Y HN 0.151 nan 8.280 nan 0.000 0.511 375 Y N 0.046 120.383 120.300 0.063 0.000 2.395 375 Y HA -0.095 4.455 4.550 -0.000 0.000 0.293 375 Y C 2.331 178.195 175.900 -0.059 0.000 1.123 375 Y CA 1.148 59.230 58.100 -0.030 0.000 1.227 375 Y CB -0.189 38.332 38.460 0.101 0.000 1.012 375 Y HN 0.192 nan 8.280 nan 0.000 0.552 376 E N 0.360 120.626 120.200 0.111 0.000 2.150 376 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 376 E C 1.415 178.011 176.600 -0.006 0.000 0.985 376 E CA 0.916 57.350 56.400 0.057 0.000 0.814 376 E CB -0.172 29.564 29.700 0.060 0.000 0.752 376 E HN 0.487 nan 8.360 nan 0.000 0.466 377 L N 0.074 121.258 121.223 -0.064 0.000 2.645 377 L HA 0.163 4.502 4.340 -0.000 0.000 0.235 377 L C 0.860 177.646 176.870 -0.140 0.000 1.150 377 L CA 0.114 54.897 54.840 -0.095 0.000 0.911 377 L CB -0.241 41.753 42.059 -0.108 0.000 1.077 377 L HN 0.185 nan 8.230 nan 0.000 0.438 378 G N 1.175 109.896 108.800 -0.133 0.000 2.291 378 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.271 378 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.271 378 G C 0.162 174.919 174.900 -0.237 0.000 1.099 378 G CA -0.025 45.003 45.100 -0.120 0.000 0.919 378 G HN 0.525 nan 8.290 nan 0.000 0.496 379 N N -1.348 117.053 118.700 -0.498 0.000 2.756 379 N HA -0.158 4.582 4.740 -0.000 0.000 0.248 379 N C 0.374 175.349 175.510 -0.893 0.000 1.062 379 N CA 1.859 54.362 53.050 -0.912 0.000 0.696 379 N CB -0.554 37.815 38.487 -0.197 0.000 0.946 379 N HN 0.905 nan 8.380 nan 0.000 0.548 380 R N -0.787 119.161 120.500 -0.919 0.000 2.764 380 R HA 0.772 5.112 4.340 -0.000 0.000 0.270 380 R C 0.490 176.703 176.300 -0.145 0.000 1.014 380 R CA -0.349 55.565 56.100 -0.311 0.000 0.904 380 R CB 1.203 31.409 30.300 -0.156 0.000 1.236 380 R HN 0.125 nan 8.270 nan 0.000 0.466 381 G N -0.415 108.429 108.800 0.073 0.000 2.454 381 G HA2 0.376 4.335 3.960 -0.000 0.000 0.329 381 G HA3 0.376 4.335 3.960 -0.000 0.000 0.329 381 G C -0.225 174.703 174.900 0.047 0.000 1.177 381 G CA -0.546 44.621 45.100 0.112 0.000 0.951 381 G HN 0.597 nan 8.290 nan 0.000 0.485 382 D N -1.457 118.970 120.400 0.044 0.000 2.363 382 D HA 0.210 4.850 4.640 -0.000 0.000 0.214 382 D C 1.573 177.892 176.300 0.030 0.000 1.093 382 D CA 0.338 54.354 54.000 0.027 0.000 0.837 382 D CB -0.030 40.783 40.800 0.023 0.000 0.948 382 D HN 1.022 nan 8.370 nan 0.000 0.507 383 G N 0.593 109.416 108.800 0.040 0.000 2.203 383 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.263 383 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.263 383 G C 0.987 175.908 174.900 0.035 0.000 1.012 383 G CA 1.188 46.309 45.100 0.036 0.000 0.749 383 G HN 0.676 nan 8.290 nan 0.000 0.512 384 T N -2.625 111.953 114.554 0.040 0.000 2.985 384 T HA 0.492 4.842 4.350 -0.000 0.000 0.254 384 T C 1.408 176.137 174.700 0.047 0.000 1.021 384 T CA 1.060 63.184 62.100 0.039 0.000 0.957 384 T CB 0.241 69.130 68.868 0.035 0.000 1.047 384 T HN 1.434 nan 8.240 nan 0.000 0.511 385 S N 1.980 117.711 115.700 0.052 0.000 2.585 385 S HA 0.334 4.804 4.470 -0.000 0.000 0.273 385 S C -1.813 172.817 174.600 0.051 0.000 1.339 385 S CA -1.005 57.229 58.200 0.057 0.000 1.028 385 S CB 1.183 64.417 63.200 0.057 0.000 0.906 385 S HN -0.040 nan 8.310 nan 0.000 0.528 386 P HA -0.065 nan 4.420 nan 0.000 0.218 386 P C 1.238 178.567 177.300 0.048 0.000 1.148 386 P CA 1.012 64.138 63.100 0.043 0.000 0.822 386 P CB -0.067 31.648 31.700 0.025 0.000 0.784 387 I N -0.516 120.077 120.570 0.038 0.000 2.179 387 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 387 I C 2.240 178.388 176.117 0.051 0.000 1.088 387 I CA 1.647 62.968 61.300 0.035 0.000 1.357 387 I CB -0.615 37.389 38.000 0.007 0.000 1.051 387 I HN 0.003 nan 8.210 nan 0.000 0.409 388 E N 0.397 120.625 120.200 0.047 0.000 2.047 388 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 388 E C 2.209 178.850 176.600 0.068 0.000 0.987 388 E CA 2.119 58.550 56.400 0.051 0.000 0.799 388 E CB -0.208 29.519 29.700 0.045 0.000 0.752 388 E HN 0.602 nan 8.360 nan 0.000 0.449 389 T N -0.074 114.523 114.554 0.072 0.000 2.708 389 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 389 T C 2.029 176.816 174.700 0.144 0.000 1.037 389 T CA 1.048 63.200 62.100 0.087 0.000 1.146 389 T CB -0.451 68.465 68.868 0.080 0.000 0.865 389 T HN 0.062 nan 8.240 nan 0.000 0.435 390 I N 2.464 123.136 120.570 0.170 0.000 2.286 390 I HA -0.120 4.050 4.170 -0.000 0.000 0.245 390 I C 3.112 179.417 176.117 0.313 0.000 1.104 390 I CA 1.428 62.900 61.300 0.286 0.000 1.397 390 I CB -0.566 37.562 38.000 0.213 0.000 1.072 390 I HN 0.436 nan 8.210 nan 0.000 0.417 391 S N 0.910 116.727 115.700 0.195 0.000 2.402 391 S HA -0.132 4.338 4.470 -0.000 0.000 0.229 391 S C 1.929 176.620 174.600 0.151 0.000 1.021 391 S CA 0.736 59.038 58.200 0.169 0.000 0.974 391 S CB -0.347 62.917 63.200 0.106 0.000 0.800 391 S HN 0.392 nan 8.310 nan 0.000 0.484 392 K N 1.353 121.823 120.400 0.118 0.000 2.155 392 K HA 0.181 4.501 4.320 -0.000 0.000 0.203 392 K C 2.437 179.074 176.600 0.063 0.000 1.052 392 K CA 1.031 57.361 56.287 0.072 0.000 0.948 392 K CB -0.343 32.178 32.500 0.036 0.000 0.728 392 K HN 0.501 nan 8.250 nan 0.000 0.448 393 A N 0.178 123.056 122.820 0.096 0.000 1.861 393 A HA -0.061 4.259 4.320 -0.000 0.000 0.212 393 A C 1.428 178.996 177.584 -0.027 0.000 1.199 393 A CA 0.984 53.044 52.037 0.038 0.000 0.613 393 A CB -0.376 18.617 19.000 -0.012 0.000 0.846 393 A HN 0.264 nan 8.150 nan 0.000 0.446 394 Y N -0.596 119.812 120.300 0.180 0.000 2.449 394 Y HA 0.428 4.978 4.550 -0.000 0.000 0.254 394 Y C 1.278 177.213 175.900 0.057 0.000 1.140 394 Y CA 0.159 58.315 58.100 0.094 0.000 1.272 394 Y CB 0.185 38.681 38.460 0.060 0.000 1.114 394 Y HN 0.527 nan 8.280 nan 0.000 0.525 395 G N 0.066 108.992 108.800 0.210 0.000 2.675 395 G HA2 0.035 3.995 3.960 -0.000 0.000 0.686 395 G HA3 0.035 3.995 3.960 -0.000 0.000 0.686 395 G C 0.682 175.668 174.900 0.145 0.000 1.215 395 G CA -0.535 44.662 45.100 0.162 0.000 0.777 395 G HN 0.403 nan 8.290 nan 0.000 0.638 396 A N 0.911 123.801 122.820 0.116 0.000 1.948 396 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 396 A C 2.462 180.086 177.584 0.066 0.000 1.177 396 A CA 2.546 54.630 52.037 0.078 0.000 0.636 396 A CB -0.428 18.599 19.000 0.046 0.000 0.815 396 A HN 1.742 nan 8.150 nan 0.000 0.449 397 Q N -0.339 119.499 119.800 0.064 0.000 2.443 397 Q HA -0.058 4.282 4.340 -0.000 0.000 0.213 397 Q C 1.507 177.535 176.000 0.048 0.000 0.982 397 Q CA 1.620 57.452 55.803 0.048 0.000 0.894 397 Q CB -0.599 28.170 28.738 0.051 0.000 0.947 397 Q HN 0.619 nan 8.270 nan 0.000 0.480 398 A N 0.429 123.285 122.820 0.060 0.000 2.220 398 A HA 0.325 4.645 4.320 -0.000 0.000 0.211 398 A C 0.632 178.293 177.584 0.128 0.000 1.176 398 A CA -0.093 51.970 52.037 0.043 0.000 0.834 398 A CB 0.667 19.657 19.000 -0.017 0.000 0.868 398 A HN 0.132 nan 8.150 nan 0.000 0.488 399 V N 1.153 121.129 119.914 0.105 0.000 2.384 399 V HA 0.424 4.544 4.120 -0.000 0.000 0.287 399 V C -0.557 175.567 176.094 0.050 0.000 1.020 399 V CA -0.593 61.759 62.300 0.087 0.000 0.850 399 V CB 1.340 33.211 31.823 0.080 0.000 0.987 399 V HN 0.054 nan 8.190 nan 0.000 0.436 400 V N 5.751 125.689 119.914 0.041 0.000 2.513 400 V HA 0.507 4.627 4.120 -0.000 0.000 0.299 400 V C -0.260 175.836 176.094 0.004 0.000 1.035 400 V CA -0.612 61.702 62.300 0.023 0.000 0.889 400 V CB 2.053 33.895 31.823 0.033 0.000 0.988 400 V HN 0.591 nan 8.190 nan 0.000 0.440 401 I N 3.205 123.770 120.570 -0.009 0.000 2.330 401 I HA 0.301 4.471 4.170 -0.000 0.000 0.289 401 I C 0.456 176.562 176.117 -0.018 0.000 1.001 401 I CA 0.155 61.443 61.300 -0.020 0.000 1.193 401 I CB 1.404 39.385 38.000 -0.031 0.000 1.345 401 I HN 0.579 nan 8.210 nan 0.000 0.461 402 S N 6.081 121.770 115.700 -0.018 0.000 2.411 402 S HA 0.471 4.940 4.470 -0.000 0.000 0.294 402 S C -0.306 174.285 174.600 -0.015 0.000 1.115 402 S CA -0.388 57.804 58.200 -0.014 0.000 1.071 402 S CB 0.312 63.505 63.200 -0.012 0.000 0.967 402 S HN 0.334 nan 8.310 nan 0.000 0.488 403 V N 5.485 125.393 119.914 -0.010 0.000 2.435 403 V HA 0.428 4.548 4.120 -0.000 0.000 0.290 403 V C -0.423 175.678 176.094 0.011 0.000 1.030 403 V CA -0.704 61.597 62.300 0.002 0.000 0.881 403 V CB 1.855 33.680 31.823 0.004 0.000 0.983 403 V HN 0.775 nan 8.190 nan 0.000 0.445 404 D N 6.330 126.742 120.400 0.021 0.000 2.434 404 D HA 0.313 4.953 4.640 -0.000 0.000 0.275 404 D C -2.591 173.739 176.300 0.049 0.000 1.172 404 D CA -0.885 53.132 54.000 0.027 0.000 0.916 404 D CB 2.015 42.823 40.800 0.013 0.000 1.041 404 D HN 0.350 nan 8.370 nan 0.000 0.501 405 P HA 0.369 nan 4.420 nan 0.000 0.281 405 P C -0.562 176.819 177.300 0.135 0.000 1.281 405 P CA -0.681 62.505 63.100 0.144 0.000 0.811 405 P CB 2.070 33.912 31.700 0.236 0.000 1.154 406 K N 0.325 120.762 120.400 0.062 0.000 2.565 406 K HA 0.250 4.570 4.320 -0.000 0.000 0.251 406 K C -0.363 175.948 176.600 -0.481 0.000 0.956 406 K CA -0.726 55.487 56.287 -0.122 0.000 0.809 406 K CB 2.114 34.531 32.500 -0.138 0.000 1.267 406 K HN 0.373 nan 8.250 nan 0.000 0.438 407 R N 2.639 122.676 120.500 -0.771 0.000 2.623 407 R HA 0.208 4.548 4.340 -0.000 0.000 0.271 407 R C -1.165 174.633 176.300 -0.837 0.000 1.043 407 R CA 0.060 55.421 56.100 -1.231 0.000 1.083 407 R CB 0.592 30.229 30.300 -1.104 0.000 0.974 407 R HN 0.266 nan 8.270 nan 0.000 0.436 408 V N 5.618 124.948 119.914 -0.974 0.000 2.567 408 V HA 0.248 4.368 4.120 -0.000 0.000 0.298 408 V C -1.131 174.637 176.094 -0.543 0.000 1.047 408 V CA -0.770 61.100 62.300 -0.716 0.000 0.880 408 V CB 1.316 32.546 31.823 -0.987 0.000 1.009 408 V HN 0.689 nan 8.190 nan 0.000 0.429 409 Y N 3.685 123.857 120.300 -0.213 0.000 2.300 409 Y HA 0.707 5.257 4.550 -0.000 0.000 0.328 409 Y C 0.477 176.391 175.900 0.023 0.000 1.270 409 Y CA -0.226 57.819 58.100 -0.093 0.000 1.352 409 Y CB 1.797 40.208 38.460 -0.082 0.000 1.286 409 Y HN 0.563 nan 8.280 nan 0.000 0.536 410 V N -1.613 118.450 119.914 0.247 0.000 3.147 410 V HA 0.371 4.491 4.120 -0.000 0.000 0.299 410 V C -0.214 175.981 176.094 0.168 0.000 1.302 410 V CA -1.189 61.219 62.300 0.180 0.000 1.015 410 V CB 2.024 33.946 31.823 0.164 0.000 1.086 410 V HN 0.786 nan 8.190 nan 0.000 0.437 411 N N 1.511 120.273 118.700 0.103 0.000 2.166 411 N HA -0.013 4.727 4.740 -0.000 0.000 0.186 411 N C 0.763 176.317 175.510 0.073 0.000 1.019 411 N CA 1.738 54.846 53.050 0.096 0.000 0.856 411 N CB 0.058 38.570 38.487 0.042 0.000 0.993 411 N HN 1.158 nan 8.380 nan 0.000 0.426 412 S N -1.851 113.818 115.700 -0.052 0.000 2.636 412 S HA 0.188 4.658 4.470 -0.000 0.000 0.268 412 S C 0.359 174.807 174.600 -0.254 0.000 1.159 412 S CA -0.740 57.283 58.200 -0.295 0.000 0.815 412 S CB 1.951 64.987 63.200 -0.272 0.000 1.130 412 S HN -0.071 nan 8.310 nan 0.000 0.471 413 Q N 0.895 120.482 119.800 -0.355 0.000 2.297 413 Q HA 0.055 4.395 4.340 -0.000 0.000 0.208 413 Q C 1.853 177.740 176.000 -0.189 0.000 0.981 413 Q CA 2.279 57.934 55.803 -0.247 0.000 0.876 413 Q CB -0.839 27.752 28.738 -0.245 0.000 0.921 413 Q HN 0.941 nan 8.270 nan 0.000 0.446 414 A N -0.067 122.653 122.820 -0.167 0.000 2.172 414 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 414 A C 1.203 178.725 177.584 -0.102 0.000 1.154 414 A CA 1.307 53.270 52.037 -0.123 0.000 0.701 414 A CB -0.185 18.753 19.000 -0.103 0.000 0.789 414 A HN 0.429 nan 8.150 nan 0.000 0.465 415 D N -1.143 119.198 120.400 -0.099 0.000 2.350 415 D HA 0.068 4.707 4.640 -0.000 0.000 0.213 415 D C 0.482 176.723 176.300 -0.098 0.000 1.031 415 D CA 0.936 54.897 54.000 -0.066 0.000 0.861 415 D CB 0.468 41.259 40.800 -0.016 0.000 0.926 415 D HN 0.357 nan 8.370 nan 0.000 0.520 416 T N -0.704 113.743 114.554 -0.179 0.000 2.853 416 T HA 0.202 4.552 4.350 -0.000 0.000 0.311 416 T C 0.471 174.980 174.700 -0.318 0.000 1.307 416 T CA -0.694 61.230 62.100 -0.293 0.000 1.019 416 T CB 1.936 70.483 68.868 -0.535 0.000 1.264 416 T HN -0.089 nan 8.240 nan 0.000 0.497 417 K N 1.857 122.057 120.400 -0.334 0.000 2.167 417 K HA 0.152 4.472 4.320 -0.000 0.000 0.203 417 K C 0.660 177.063 176.600 -0.328 0.000 1.052 417 K CA 0.409 56.532 56.287 -0.273 0.000 0.956 417 K CB -0.134 32.234 32.500 -0.221 0.000 0.735 417 K HN 0.333 nan 8.250 nan 0.000 0.451 418 N N 2.532 120.928 118.700 -0.508 0.000 2.492 418 N HA -0.020 4.719 4.740 -0.000 0.000 0.260 418 N C -0.516 174.778 175.510 -0.360 0.000 1.215 418 N CA -0.016 52.752 53.050 -0.470 0.000 0.923 418 N CB 0.953 38.969 38.487 -0.785 0.000 1.092 418 N HN 0.087 nan 8.380 nan 0.000 0.448 419 K N 1.295 121.551 120.400 -0.241 0.000 2.451 419 K HA 0.106 4.426 4.320 -0.000 0.000 0.280 419 K C -0.353 176.189 176.600 -0.097 0.000 1.020 419 K CA -0.236 55.868 56.287 -0.305 0.000 1.008 419 K CB 0.129 32.154 32.500 -0.791 0.000 0.917 419 K HN 0.384 nan 8.250 nan 0.000 0.478 420 V N 1.617 121.482 119.914 -0.081 0.000 3.166 420 V HA 0.901 5.021 4.120 -0.000 0.000 0.317 420 V C -0.868 175.302 176.094 0.127 0.000 1.136 420 V CA -0.877 61.438 62.300 0.026 0.000 1.035 420 V CB 1.294 33.121 31.823 0.007 0.000 1.110 420 V HN 0.776 nan 8.190 nan 0.000 0.450 421 F N -1.430 118.570 119.950 0.083 0.000 2.619 421 F HA 0.702 5.229 4.527 -0.000 0.000 0.308 421 F C -0.602 175.262 175.800 0.106 0.000 1.097 421 F CA -1.119 56.942 58.000 0.101 0.000 0.953 421 F CB 1.544 40.560 39.000 0.027 0.000 1.287 421 F HN 0.829 nan 8.300 nan 0.000 0.446 422 E N 2.035 122.393 120.200 0.264 0.000 2.328 422 E HA 0.238 4.588 4.350 -0.000 0.000 0.265 422 E C -0.571 176.057 176.600 0.047 0.000 1.057 422 E CA -0.037 56.242 56.400 -0.201 0.000 0.916 422 E CB 0.697 30.249 29.700 -0.247 0.000 0.993 422 E HN 0.819 nan 8.360 nan 0.000 0.446 423 T N 2.683 117.176 114.554 -0.101 0.000 2.928 423 T HA 0.070 4.420 4.350 -0.000 0.000 0.284 423 T C 0.838 175.485 174.700 -0.089 0.000 1.008 423 T CA -0.502 61.633 62.100 0.059 0.000 1.057 423 T CB 1.514 70.419 68.868 0.062 0.000 1.018 423 T HN 0.710 nan 8.240 nan 0.000 0.493 424 E N 1.849 121.909 120.200 -0.234 0.000 2.427 424 E HA -0.004 4.346 4.350 -0.000 0.000 0.196 424 E C -0.787 175.440 176.600 -0.622 0.000 1.028 424 E CA 0.455 56.542 56.400 -0.522 0.000 0.864 424 E CB 0.177 29.395 29.700 -0.802 0.000 0.813 424 E HN 0.722 nan 8.360 nan 0.000 0.514 425 Y N 0.634 120.979 120.300 0.074 0.000 2.388 425 Y HA 0.389 4.938 4.550 -0.000 0.000 0.328 425 Y C -2.296 173.665 175.900 0.102 0.000 0.963 425 Y CA -3.227 54.917 58.100 0.075 0.000 1.240 425 Y CB 1.017 39.536 38.460 0.097 0.000 1.118 425 Y HN -0.037 nan 8.280 nan 0.000 0.484 426 P HA 0.055 nan 4.420 nan 0.000 0.268 426 P C 0.652 177.748 177.300 -0.340 0.000 1.208 426 P CA 0.049 63.119 63.100 -0.051 0.000 0.777 426 P CB 0.889 32.547 31.700 -0.071 0.000 0.875 427 G N 1.793 110.107 108.800 -0.809 0.000 2.563 427 G HA2 0.222 4.182 3.960 -0.000 0.000 0.283 427 G HA3 0.222 4.182 3.960 -0.000 0.000 0.283 427 G C -1.666 172.889 174.900 -0.574 0.000 1.309 427 G CA -1.114 43.140 45.100 -1.411 0.000 1.022 427 G HN 0.283 nan 8.290 nan 0.000 0.501 428 P HA -0.107 nan 4.420 nan 0.000 0.217 428 P C 1.037 178.241 177.300 -0.159 0.000 1.151 428 P CA 1.130 64.101 63.100 -0.216 0.000 0.849 428 P CB 0.212 31.820 31.700 -0.153 0.000 0.787 429 N N -2.118 116.485 118.700 -0.162 0.000 2.238 429 N HA 0.158 4.898 4.740 -0.000 0.000 0.222 429 N C 1.065 176.520 175.510 -0.092 0.000 1.133 429 N CA 0.834 53.825 53.050 -0.098 0.000 0.854 429 N CB 0.521 38.970 38.487 -0.063 0.000 1.041 429 N HN 0.138 nan 8.380 nan 0.000 0.510 430 G N 1.181 109.901 108.800 -0.134 0.000 2.176 430 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.253 430 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.253 430 G C -0.228 174.627 174.900 -0.074 0.000 0.979 430 G CA -0.212 44.829 45.100 -0.098 0.000 0.641 430 G HN 0.364 nan 8.290 nan 0.000 0.530 431 E N 0.394 120.541 120.200 -0.088 0.000 2.558 431 E HA 0.327 4.676 4.350 -0.000 0.000 0.255 431 E C 1.160 177.802 176.600 0.070 0.000 0.968 431 E CA 0.597 57.018 56.400 0.036 0.000 0.939 431 E CB 0.461 30.222 29.700 0.101 0.000 0.921 431 E HN 0.505 nan 8.360 nan 0.000 0.477 432 K N 2.205 122.650 120.400 0.075 0.000 2.374 432 K HA 0.110 4.429 4.320 -0.000 0.000 0.196 432 K C -0.567 175.795 176.600 -0.396 0.000 1.023 432 K CA 0.100 56.304 56.287 -0.137 0.000 1.103 432 K CB 0.365 32.712 32.500 -0.255 0.000 0.848 432 K HN 0.421 nan 8.250 nan 0.000 0.528 433 Y N -0.335 119.991 120.300 0.043 0.000 2.602 433 Y HA 0.445 4.995 4.550 -0.000 0.000 0.342 433 Y C 0.088 175.891 175.900 -0.162 0.000 1.029 433 Y CA -1.359 56.694 58.100 -0.078 0.000 1.080 433 Y CB 1.733 40.161 38.460 -0.053 0.000 1.284 433 Y HN 0.080 nan 8.280 nan 0.000 0.485 434 C N -0.657 118.485 119.300 -0.262 0.000 3.292 434 C HA 0.785 5.245 4.460 -0.000 0.000 0.338 434 C C -1.887 172.878 174.990 -0.375 0.000 1.323 434 C CA -1.220 57.552 59.018 -0.410 0.000 1.232 434 C CB 1.053 28.271 27.740 -0.870 0.000 1.517 434 C HN 1.108 nan 8.230 nan 0.000 0.470 435 W N -0.709 120.347 121.300 -0.407 0.000 3.032 435 W HA 0.741 5.400 4.660 -0.000 0.000 0.341 435 W C -2.453 174.008 176.519 -0.097 0.000 1.202 435 W CA -1.540 55.717 57.345 -0.147 0.000 1.132 435 W CB 0.491 29.930 29.460 -0.035 0.000 1.465 435 W HN 0.759 nan 8.180 nan 0.000 0.576 436 Y N 1.798 122.122 120.300 0.039 0.000 2.328 436 Y HA 0.262 4.812 4.550 -0.000 0.000 0.337 436 Y C 0.552 176.382 175.900 -0.116 0.000 0.966 436 Y CA -0.780 57.236 58.100 -0.140 0.000 1.136 436 Y CB 1.852 40.353 38.460 0.068 0.000 1.170 436 Y HN 0.380 nan 8.280 nan 0.000 0.470 437 Q N 2.870 122.438 119.800 -0.387 0.000 2.261 437 Q HA 0.462 4.801 4.340 -0.000 0.000 0.252 437 Q C -0.938 175.072 176.000 0.016 0.000 0.915 437 Q CA -0.515 55.156 55.803 -0.221 0.000 0.915 437 Q CB 0.772 29.197 28.738 -0.522 0.000 1.204 437 Q HN 0.807 nan 8.270 nan 0.000 0.421 438 C N 2.730 122.108 119.300 0.130 0.000 2.443 438 C HA 0.673 5.133 4.460 -0.000 0.000 0.369 438 C C 0.545 175.574 174.990 0.065 0.000 1.241 438 C CA -0.454 58.626 59.018 0.103 0.000 2.413 438 C CB 0.614 28.431 27.740 0.128 0.000 2.451 438 C HN 0.931 nan 8.230 nan 0.000 0.595 439 T N -0.110 114.467 114.554 0.039 0.000 2.907 439 T HA 0.846 5.195 4.350 -0.000 0.000 0.290 439 T C -0.622 174.076 174.700 -0.003 0.000 1.066 439 T CA -0.571 61.542 62.100 0.022 0.000 1.012 439 T CB 1.355 70.230 68.868 0.012 0.000 1.184 439 T HN 0.837 nan 8.240 nan 0.000 0.522 440 I N -2.686 117.878 120.570 -0.010 0.000 3.466 440 I HA 0.655 4.825 4.170 -0.000 0.000 0.311 440 I C -1.053 175.051 176.117 -0.021 0.000 1.155 440 I CA -1.913 59.356 61.300 -0.051 0.000 0.959 440 I CB 1.608 39.544 38.000 -0.107 0.000 1.332 440 I HN 0.765 nan 8.210 nan 0.000 0.483 441 K N 1.849 122.232 120.400 -0.028 0.000 3.730 441 K HA -0.159 4.160 4.320 -0.000 0.000 0.276 441 K C 0.676 177.278 176.600 0.004 0.000 0.904 441 K CA 0.750 57.038 56.287 0.001 0.000 0.741 441 K CB -1.936 30.581 32.500 0.028 0.000 1.542 441 K HN 1.367 nan 8.250 nan 0.000 0.446 442 G N -0.437 108.360 108.800 -0.004 0.000 2.283 442 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.280 442 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.280 442 G C 0.873 175.775 174.900 0.004 0.000 1.029 442 G CA 0.817 45.918 45.100 0.002 0.000 0.840 442 G HN 1.551 nan 8.290 nan 0.000 0.505 443 G N -1.351 107.450 108.800 0.001 0.000 2.153 443 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.252 443 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.252 443 G C 1.115 176.019 174.900 0.007 0.000 0.994 443 G CA 1.304 46.406 45.100 0.004 0.000 0.698 443 G HN 0.965 nan 8.290 nan 0.000 0.521 444 R N -0.126 120.381 120.500 0.012 0.000 2.200 444 R HA 0.199 4.539 4.340 -0.000 0.000 0.208 444 R C 1.031 177.344 176.300 0.022 0.000 1.033 444 R CA 1.008 57.118 56.100 0.016 0.000 1.000 444 R CB 0.344 30.656 30.300 0.020 0.000 0.906 444 R HN 0.576 nan 8.270 nan 0.000 0.462 445 E N 0.506 120.723 120.200 0.027 0.000 2.248 445 E HA 0.269 4.619 4.350 -0.000 0.000 0.267 445 E C -1.171 175.454 176.600 0.042 0.000 0.877 445 E CA -0.398 56.026 56.400 0.040 0.000 0.759 445 E CB 1.857 31.592 29.700 0.058 0.000 1.182 445 E HN -0.091 nan 8.360 nan 0.000 0.418 446 S N 2.471 118.199 115.700 0.047 0.000 2.672 446 S HA 0.586 5.056 4.470 -0.000 0.000 0.276 446 S C -0.406 174.247 174.600 0.089 0.000 1.207 446 S CA -0.773 57.461 58.200 0.055 0.000 1.002 446 S CB 0.985 64.209 63.200 0.040 0.000 0.998 446 S HN 0.382 nan 8.310 nan 0.000 0.542 447 R N 0.930 121.499 120.500 0.115 0.000 2.771 447 R HA 0.275 4.615 4.340 -0.000 0.000 0.274 447 R C -1.403 175.015 176.300 0.195 0.000 0.987 447 R CA -0.748 55.440 56.100 0.147 0.000 0.908 447 R CB 1.382 31.773 30.300 0.151 0.000 1.213 447 R HN 0.595 nan 8.270 nan 0.000 0.468 448 D N 1.806 122.315 120.400 0.182 0.000 2.801 448 D HA 0.203 4.843 4.640 -0.000 0.000 0.232 448 D C -0.936 175.472 176.300 0.180 0.000 1.128 448 D CA -0.011 54.108 54.000 0.199 0.000 1.003 448 D CB -0.289 40.577 40.800 0.110 0.000 1.110 448 D HN 0.118 nan 8.370 nan 0.000 0.477 449 L N 0.971 122.363 121.223 0.282 0.000 2.436 449 L HA 0.700 5.040 4.340 -0.000 0.000 0.268 449 L C 0.099 177.227 176.870 0.430 0.000 0.974 449 L CA -0.630 54.366 54.840 0.261 0.000 0.826 449 L CB 1.988 44.183 42.059 0.225 0.000 1.291 449 L HN 0.113 nan 8.230 nan 0.000 0.406 450 G N 2.105 111.158 108.800 0.421 0.000 2.504 450 G HA2 0.392 4.352 3.960 -0.000 0.000 0.288 450 G HA3 0.392 4.352 3.960 -0.000 0.000 0.288 450 G C 0.562 175.731 174.900 0.448 0.000 1.182 450 G CA 0.033 45.499 45.100 0.610 0.000 0.894 450 G HN 0.646 nan 8.290 nan 0.000 0.521 451 V N 1.584 121.776 119.914 0.463 0.000 2.515 451 V HA -0.062 4.058 4.120 -0.000 0.000 0.250 451 V C 1.921 178.184 176.094 0.281 0.000 1.058 451 V CA 1.685 64.174 62.300 0.315 0.000 1.064 451 V CB -0.539 31.449 31.823 0.275 0.000 0.675 451 V HN 0.817 nan 8.190 nan 0.000 0.461 452 W N 1.053 122.473 121.300 0.200 0.000 2.355 452 W HA -0.195 4.465 4.660 -0.000 0.000 0.309 452 W C 1.996 178.567 176.519 0.088 0.000 1.206 452 W CA 2.211 59.587 57.345 0.052 0.000 1.284 452 W CB -0.256 29.279 29.460 0.125 0.000 1.145 452 W HN 0.369 nan 8.180 nan 0.000 0.502 453 E N 0.571 121.033 120.200 0.437 0.000 2.107 453 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 453 E C 1.964 178.757 176.600 0.323 0.000 0.982 453 E CA 1.356 57.970 56.400 0.356 0.000 0.809 453 E CB -1.041 28.770 29.700 0.185 0.000 0.756 453 E HN 0.199 nan 8.360 nan 0.000 0.459 454 L N 0.876 122.243 121.223 0.240 0.000 2.017 454 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 454 L C 2.250 179.139 176.870 0.031 0.000 1.073 454 L CA 2.479 57.415 54.840 0.160 0.000 0.745 454 L CB -1.205 40.937 42.059 0.138 0.000 0.894 454 L HN 0.333 nan 8.230 nan 0.000 0.432 455 T N -2.825 111.718 114.554 -0.020 0.000 2.746 455 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 455 T C 2.052 176.650 174.700 -0.171 0.000 1.039 455 T CA 1.405 63.441 62.100 -0.107 0.000 1.142 455 T CB -0.558 68.222 68.868 -0.147 0.000 0.866 455 T HN 0.368 nan 8.240 nan 0.000 0.444 456 R N 1.335 121.714 120.500 -0.201 0.000 2.096 456 R HA 0.151 4.491 4.340 -0.000 0.000 0.235 456 R C 2.978 179.124 176.300 -0.256 0.000 1.127 456 R CA 1.288 57.253 56.100 -0.225 0.000 0.968 456 R CB -0.672 29.497 30.300 -0.220 0.000 0.861 456 R HN 0.555 nan 8.270 nan 0.000 0.440 457 A N 0.409 123.060 122.820 -0.282 0.000 1.873 457 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 457 A C 2.328 179.548 177.584 -0.607 0.000 1.186 457 A CA 1.315 52.901 52.037 -0.752 0.000 0.616 457 A CB -0.791 17.831 19.000 -0.630 0.000 0.823 457 A HN 0.445 nan 8.150 nan 0.000 0.442 458 C N -0.695 118.420 119.300 -0.308 0.000 2.422 458 C HA -0.062 4.398 4.460 -0.000 0.000 0.279 458 C C 2.653 177.531 174.990 -0.186 0.000 1.305 458 C CA 1.166 60.060 59.018 -0.206 0.000 1.757 458 C CB -1.126 26.544 27.740 -0.117 0.000 1.962 458 C HN 0.802 nan 8.230 nan 0.000 0.499 459 E N 1.290 121.374 120.200 -0.195 0.000 2.031 459 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 459 E C 2.247 178.753 176.600 -0.157 0.000 0.994 459 E CA 1.359 57.667 56.400 -0.154 0.000 0.800 459 E CB -0.251 29.354 29.700 -0.160 0.000 0.752 459 E HN 0.528 nan 8.360 nan 0.000 0.447 460 A N 1.299 123.983 122.820 -0.227 0.000 1.917 460 A HA -0.186 4.133 4.320 -0.000 0.000 0.219 460 A C 2.219 179.720 177.584 -0.139 0.000 1.182 460 A CA 1.482 53.407 52.037 -0.188 0.000 0.633 460 A CB -0.795 18.028 19.000 -0.295 0.000 0.819 460 A HN 0.381 nan 8.150 nan 0.000 0.448 461 L N -1.869 119.233 121.223 -0.201 0.000 2.465 461 L HA 0.086 4.426 4.340 -0.000 0.000 0.224 461 L C 1.757 178.604 176.870 -0.038 0.000 1.145 461 L CA 0.705 55.486 54.840 -0.098 0.000 0.834 461 L CB -0.256 41.731 42.059 -0.119 0.000 0.944 461 L HN 0.657 nan 8.230 nan 0.000 0.451 462 G N -0.980 107.795 108.800 -0.043 0.000 2.205 462 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.180 462 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.180 462 G C 0.324 175.225 174.900 0.001 0.000 1.004 462 G CA -0.236 44.863 45.100 -0.003 0.000 0.670 462 G HN 0.398 nan 8.290 nan 0.000 0.496 463 A N 0.420 123.225 122.820 -0.026 0.000 2.462 463 A HA 0.631 4.951 4.320 -0.000 0.000 0.243 463 A C 1.558 179.131 177.584 -0.019 0.000 1.076 463 A CA 1.363 53.390 52.037 -0.017 0.000 0.773 463 A CB 0.720 19.696 19.000 -0.040 0.000 1.010 463 A HN 1.461 nan 8.150 nan 0.000 0.493 464 G N 0.500 109.300 108.800 -0.000 0.000 2.921 464 G HA2 0.368 4.327 3.960 -0.000 0.000 0.213 464 G HA3 0.368 4.327 3.960 -0.000 0.000 0.213 464 G C 0.342 175.233 174.900 -0.016 0.000 1.143 464 G CA 0.595 45.690 45.100 -0.008 0.000 0.764 464 G HN 0.786 nan 8.290 nan 0.000 0.542 465 E N -0.331 119.862 120.200 -0.010 0.000 2.392 465 E HA 0.470 4.819 4.350 -0.000 0.000 0.279 465 E C -1.619 174.969 176.600 -0.019 0.000 0.964 465 E CA -0.804 55.590 56.400 -0.009 0.000 0.777 465 E CB 1.869 31.580 29.700 0.018 0.000 1.249 465 E HN -0.167 nan 8.360 nan 0.000 0.449 466 I N 3.936 124.489 120.570 -0.028 0.000 2.389 466 I HA 0.238 4.408 4.170 -0.000 0.000 0.288 466 I C -0.599 175.500 176.117 -0.030 0.000 0.999 466 I CA -0.756 60.521 61.300 -0.037 0.000 1.129 466 I CB 1.137 39.100 38.000 -0.062 0.000 1.288 466 I HN 0.503 nan 8.210 nan 0.000 0.444 467 L N 8.244 129.455 121.223 -0.020 0.000 2.302 467 L HA 0.324 4.664 4.340 -0.000 0.000 0.285 467 L C -0.494 176.359 176.870 -0.029 0.000 1.090 467 L CA -0.310 54.520 54.840 -0.017 0.000 0.866 467 L CB 0.544 42.603 42.059 0.000 0.000 1.244 467 L HN 0.448 nan 8.230 nan 0.000 0.435 468 L N 6.071 127.262 121.223 -0.053 0.000 2.356 468 L HA 0.389 4.729 4.340 -0.000 0.000 0.282 468 L C 0.110 176.951 176.870 -0.048 0.000 1.132 468 L CA 0.344 55.148 54.840 -0.060 0.000 0.923 468 L CB -0.574 41.427 42.059 -0.097 0.000 1.278 468 L HN 0.612 nan 8.230 nan 0.000 0.436 469 N N 3.040 121.729 118.700 -0.017 0.000 2.418 469 N HA 0.364 5.104 4.740 -0.000 0.000 0.283 469 N C -0.904 174.613 175.510 0.012 0.000 1.267 469 N CA -0.372 52.679 53.050 0.002 0.000 0.975 469 N CB 1.227 39.720 38.487 0.010 0.000 1.167 469 N HN 0.530 nan 8.380 nan 0.000 0.581 470 C N 0.954 120.270 119.300 0.026 0.000 2.789 470 C HA 0.365 4.825 4.460 -0.000 0.000 0.367 470 C C 1.731 176.741 174.990 0.034 0.000 1.062 470 C CA -0.673 58.374 59.018 0.049 0.000 1.297 470 C CB -1.177 26.597 27.740 0.057 0.000 1.794 470 C HN 0.780 nan 8.230 nan 0.000 0.474 471 I N 2.681 123.272 120.570 0.034 0.000 2.145 471 I HA -0.192 3.977 4.170 -0.000 0.000 0.244 471 I C 1.898 178.014 176.117 -0.002 0.000 1.075 471 I CA 1.883 63.189 61.300 0.010 0.000 1.332 471 I CB -0.092 37.909 38.000 0.002 0.000 1.033 471 I HN 0.714 nan 8.210 nan 0.000 0.410 472 D N 0.870 121.271 120.400 0.001 0.000 2.178 472 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 472 D C 1.905 178.188 176.300 -0.029 0.000 0.980 472 D CA 1.114 55.103 54.000 -0.018 0.000 0.842 472 D CB -0.134 40.654 40.800 -0.021 0.000 0.948 472 D HN 0.349 nan 8.370 nan 0.000 0.472 473 K N 0.617 121.002 120.400 -0.025 0.000 2.361 473 K HA 0.030 4.350 4.320 -0.000 0.000 0.194 473 K C 0.424 176.984 176.600 -0.066 0.000 1.032 473 K CA -0.192 56.059 56.287 -0.060 0.000 1.048 473 K CB 0.263 32.720 32.500 -0.073 0.000 0.842 473 K HN 0.089 nan 8.250 nan 0.000 0.526 474 D N 1.124 121.502 120.400 -0.037 0.000 2.472 474 D HA 0.003 4.643 4.640 -0.000 0.000 0.248 474 D C 1.013 177.291 176.300 -0.037 0.000 1.174 474 D CA 1.524 55.505 54.000 -0.032 0.000 0.883 474 D CB 0.560 41.353 40.800 -0.011 0.000 1.149 474 D HN 0.458 nan 8.370 nan 0.000 0.488 475 G N 2.855 111.629 108.800 -0.044 0.000 2.234 475 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.260 475 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.260 475 G C 1.246 176.115 174.900 -0.051 0.000 0.987 475 G CA 1.035 46.114 45.100 -0.036 0.000 0.625 475 G HN 0.687 nan 8.290 nan 0.000 0.532 476 S N 0.794 116.450 115.700 -0.074 0.000 2.419 476 S HA -0.070 4.400 4.470 -0.000 0.000 0.233 476 S C 1.422 175.966 174.600 -0.093 0.000 1.016 476 S CA 1.338 59.488 58.200 -0.083 0.000 0.974 476 S CB -0.330 62.809 63.200 -0.102 0.000 0.786 476 S HN 1.223 nan 8.310 nan 0.000 0.492 477 N N 0.890 119.516 118.700 -0.123 0.000 2.741 477 N HA -0.136 4.603 4.740 -0.000 0.000 0.250 477 N C 0.341 175.801 175.510 -0.083 0.000 1.115 477 N CA 1.152 54.144 53.050 -0.095 0.000 0.724 477 N CB -1.949 36.521 38.487 -0.029 0.000 1.090 477 N HN 0.845 nan 8.380 nan 0.000 0.558 478 S N -1.497 114.055 115.700 -0.245 0.000 2.593 478 S HA 0.530 5.000 4.470 -0.000 0.000 0.236 478 S C 0.878 175.058 174.600 -0.700 0.000 0.991 478 S CA 0.454 58.482 58.200 -0.286 0.000 0.963 478 S CB 1.272 64.368 63.200 -0.174 0.000 0.865 478 S HN 1.041 nan 8.310 nan 0.000 0.488 479 G N 0.581 108.629 108.800 -1.252 0.000 2.612 479 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.686 479 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.686 479 G C -1.021 173.454 174.900 -0.709 0.000 1.274 479 G CA -1.093 43.216 45.100 -1.318 0.000 0.849 479 G HN 0.242 nan 8.290 nan 0.000 0.595 480 Y N 0.155 120.221 120.300 -0.391 0.000 2.300 480 Y HA 0.464 5.014 4.550 -0.000 0.000 0.328 480 Y C 1.028 176.818 175.900 -0.183 0.000 1.270 480 Y CA -0.193 57.747 58.100 -0.268 0.000 1.352 480 Y CB 0.862 39.160 38.460 -0.270 0.000 1.286 480 Y HN 0.512 nan 8.280 nan 0.000 0.536 481 D N 2.402 122.832 120.400 0.050 0.000 2.383 481 D HA 0.061 4.700 4.640 -0.000 0.000 0.245 481 D C 0.742 177.056 176.300 0.022 0.000 1.263 481 D CA 0.314 54.333 54.000 0.030 0.000 0.936 481 D CB 0.312 41.147 40.800 0.059 0.000 1.053 481 D HN 0.603 nan 8.370 nan 0.000 0.507 482 L N 2.698 123.943 121.223 0.037 0.000 2.083 482 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 482 L C 2.046 178.923 176.870 0.013 0.000 1.083 482 L CA 0.944 55.798 54.840 0.023 0.000 0.752 482 L CB -0.260 41.829 42.059 0.049 0.000 0.899 482 L HN 0.396 nan 8.230 nan 0.000 0.433 483 E N 0.107 120.352 120.200 0.075 0.000 2.208 483 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 483 E C 2.111 178.649 176.600 -0.103 0.000 0.988 483 E CA 0.640 57.054 56.400 0.023 0.000 0.828 483 E CB -0.044 29.797 29.700 0.236 0.000 0.763 483 E HN 0.253 nan 8.360 nan 0.000 0.478 484 L N 1.354 122.524 121.223 -0.089 0.000 2.017 484 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 484 L C 2.031 178.797 176.870 -0.173 0.000 1.073 484 L CA 1.517 56.185 54.840 -0.287 0.000 0.745 484 L CB -0.355 41.454 42.059 -0.416 0.000 0.894 484 L HN 0.079 nan 8.230 nan 0.000 0.432 485 I N -0.473 120.013 120.570 -0.140 0.000 2.118 485 I HA -0.293 3.877 4.170 -0.000 0.000 0.241 485 I C 2.470 178.523 176.117 -0.106 0.000 1.070 485 I CA 1.364 62.584 61.300 -0.132 0.000 1.327 485 I CB -0.526 37.388 38.000 -0.143 0.000 1.034 485 I HN 0.295 nan 8.210 nan 0.000 0.405 486 E N -0.058 120.083 120.200 -0.097 0.000 2.118 486 E HA -0.289 4.061 4.350 -0.000 0.000 0.195 486 E C 2.023 178.573 176.600 -0.083 0.000 0.992 486 E CA 1.483 57.831 56.400 -0.087 0.000 0.804 486 E CB -0.567 29.078 29.700 -0.092 0.000 0.741 486 E HN 0.568 nan 8.360 nan 0.000 0.458 487 H N 0.447 119.363 119.070 -0.257 0.000 2.353 487 H HA -0.048 4.508 4.556 -0.000 0.000 0.300 487 H C 1.940 177.268 175.328 0.001 0.000 1.090 487 H CA 1.681 57.610 56.048 -0.198 0.000 1.327 487 H CB -0.064 29.508 29.762 -0.317 0.000 1.383 487 H HN -0.060 nan 8.280 nan 0.000 0.508 488 V N 0.827 120.653 119.914 -0.147 0.000 2.548 488 V HA -0.146 3.974 4.120 -0.000 0.000 0.249 488 V C 2.340 178.305 176.094 -0.215 0.000 1.055 488 V CA 1.564 63.732 62.300 -0.220 0.000 1.065 488 V CB -0.324 31.409 31.823 -0.151 0.000 0.681 488 V HN 0.318 nan 8.190 nan 0.000 0.462 489 K N 0.161 120.476 120.400 -0.142 0.000 2.147 489 K HA -0.141 4.179 4.320 -0.000 0.000 0.205 489 K C 1.750 178.277 176.600 -0.121 0.000 1.049 489 K CA 1.199 57.419 56.287 -0.112 0.000 0.936 489 K CB -0.466 31.997 32.500 -0.062 0.000 0.722 489 K HN 0.467 nan 8.250 nan 0.000 0.446 490 D N 0.428 120.770 120.400 -0.096 0.000 2.224 490 D HA -0.051 4.589 4.640 -0.000 0.000 0.205 490 D C 1.678 177.832 176.300 -0.243 0.000 0.965 490 D CA 0.809 54.793 54.000 -0.026 0.000 0.852 490 D CB 0.191 41.108 40.800 0.195 0.000 0.947 490 D HN 0.131 nan 8.370 nan 0.000 0.494 491 A N 0.646 123.126 122.820 -0.568 0.000 1.874 491 A HA 0.088 4.408 4.320 -0.000 0.000 0.214 491 A C 1.331 178.529 177.584 -0.644 0.000 1.189 491 A CA 0.973 52.334 52.037 -1.126 0.000 0.615 491 A CB -0.172 18.069 19.000 -1.265 0.000 0.830 491 A HN 0.145 nan 8.150 nan 0.000 0.443 492 V N -4.462 115.211 119.914 -0.401 0.000 3.166 492 V HA 0.607 4.727 4.120 -0.000 0.000 0.317 492 V C 0.025 176.006 176.094 -0.188 0.000 1.136 492 V CA -0.848 61.289 62.300 -0.273 0.000 1.035 492 V CB 1.654 33.338 31.823 -0.231 0.000 1.110 492 V HN 0.189 nan 8.190 nan 0.000 0.450 493 K N 1.109 121.415 120.400 -0.156 0.000 2.414 493 K HA 0.463 4.783 4.320 -0.000 0.000 0.204 493 K C 0.067 176.594 176.600 -0.121 0.000 1.026 493 K CA -0.042 56.166 56.287 -0.132 0.000 1.108 493 K CB 0.402 32.827 32.500 -0.126 0.000 0.855 493 K HN 0.800 nan 8.250 nan 0.000 0.517 494 I N -1.773 118.729 120.570 -0.112 0.000 2.676 494 I HA 0.490 4.659 4.170 -0.000 0.000 0.309 494 I C -2.670 173.405 176.117 -0.070 0.000 0.990 494 I CA -3.211 58.035 61.300 -0.090 0.000 1.168 494 I CB 0.786 38.737 38.000 -0.082 0.000 1.343 494 I HN -0.285 nan 8.210 nan 0.000 0.482 495 P HA 0.062 nan 4.420 nan 0.000 0.265 495 P C -0.837 176.451 177.300 -0.021 0.000 1.187 495 P CA 0.031 63.123 63.100 -0.014 0.000 0.766 495 P CB 0.623 32.327 31.700 0.007 0.000 0.820 496 V N 5.457 125.362 119.914 -0.015 0.000 2.409 496 V HA 0.339 4.459 4.120 -0.000 0.000 0.291 496 V C 0.284 176.354 176.094 -0.039 0.000 1.020 496 V CA -0.473 61.802 62.300 -0.043 0.000 0.848 496 V CB 1.321 33.102 31.823 -0.070 0.000 0.990 496 V HN 0.385 nan 8.190 nan 0.000 0.430 497 I N 4.137 124.678 120.570 -0.047 0.000 2.331 497 I HA 0.567 4.737 4.170 -0.000 0.000 0.292 497 I C 0.709 176.728 176.117 -0.164 0.000 0.998 497 I CA -0.337 60.926 61.300 -0.062 0.000 1.267 497 I CB 1.585 39.578 38.000 -0.012 0.000 1.386 497 I HN 0.667 nan 8.210 nan 0.000 0.476 498 A N 5.249 127.875 122.820 -0.322 0.000 2.309 498 A HA 0.575 4.895 4.320 -0.000 0.000 0.290 498 A C -0.045 177.242 177.584 -0.496 0.000 1.206 498 A CA -0.083 51.593 52.037 -0.600 0.000 0.850 498 A CB 0.710 18.992 19.000 -1.197 0.000 1.118 498 A HN 0.666 nan 8.150 nan 0.000 0.523 499 S N 1.598 117.181 115.700 -0.195 0.000 2.632 499 S HA 0.764 5.234 4.470 -0.000 0.000 0.289 499 S C -0.525 174.171 174.600 0.160 0.000 1.115 499 S CA 0.221 58.455 58.200 0.057 0.000 0.889 499 S CB 1.019 64.230 63.200 0.017 0.000 1.116 499 S HN 1.812 nan 8.310 nan 0.000 0.486 500 S N 0.644 116.414 115.700 0.118 0.000 2.911 500 S HA 0.172 4.642 4.470 -0.000 0.000 0.837 500 S C 0.624 175.182 174.600 -0.071 0.000 0.825 500 S CA 0.863 59.078 58.200 0.024 0.000 1.489 500 S CB -1.390 61.824 63.200 0.024 0.000 1.063 500 S HN 2.298 nan 8.310 nan 0.000 0.469 501 G N 0.955 109.624 108.800 -0.218 0.000 2.278 501 G HA2 0.165 4.125 3.960 -0.000 0.000 0.210 501 G HA3 0.165 4.125 3.960 -0.000 0.000 0.210 501 G C 0.292 174.823 174.900 -0.614 0.000 1.000 501 G CA 0.379 45.244 45.100 -0.392 0.000 0.635 501 G HN 2.205 nan 8.290 nan 0.000 0.495 502 A N 0.823 123.192 122.820 -0.751 0.000 2.522 502 A HA 0.610 4.930 4.320 -0.000 0.000 0.256 502 A C 1.474 178.913 177.584 -0.241 0.000 1.086 502 A CA 1.652 53.275 52.037 -0.689 0.000 0.763 502 A CB 0.480 19.027 19.000 -0.755 0.000 1.024 502 A HN 1.674 nan 8.150 nan 0.000 0.502 503 G N 1.272 110.116 108.800 0.072 0.000 2.775 503 G HA2 0.417 4.377 3.960 -0.000 0.000 0.198 503 G HA3 0.417 4.377 3.960 -0.000 0.000 0.198 503 G C 0.333 175.095 174.900 -0.230 0.000 1.121 503 G CA 0.801 45.889 45.100 -0.019 0.000 0.686 503 G HN 1.674 nan 8.290 nan 0.000 0.782 504 V N -3.211 116.387 119.914 -0.528 0.000 3.102 504 V HA 0.634 4.754 4.120 -0.000 0.000 0.312 504 V C -2.199 173.448 176.094 -0.746 0.000 1.135 504 V CA -2.088 59.651 62.300 -0.935 0.000 1.022 504 V CB 1.790 33.092 31.823 -0.869 0.000 1.056 504 V HN -0.044 nan 8.190 nan 0.000 0.436 505 P HA -0.155 nan 4.420 nan 0.000 0.216 505 P C 1.300 178.302 177.300 -0.496 0.000 1.154 505 P CA 1.926 64.650 63.100 -0.627 0.000 0.865 505 P CB 0.194 31.386 31.700 -0.847 0.000 0.789 506 E N -1.810 117.920 120.200 -0.783 0.000 2.219 506 E HA -0.224 4.126 4.350 -0.000 0.000 0.198 506 E C 1.807 178.327 176.600 -0.134 0.000 0.998 506 E CA 1.234 57.356 56.400 -0.462 0.000 0.818 506 E CB -0.867 28.582 29.700 -0.418 0.000 0.741 506 E HN 0.564 nan 8.360 nan 0.000 0.477 507 H N -1.637 117.341 119.070 -0.153 0.000 2.389 507 H HA -0.063 4.493 4.556 -0.000 0.000 0.299 507 H C 1.425 176.679 175.328 -0.123 0.000 1.081 507 H CA 0.820 56.739 56.048 -0.215 0.000 1.345 507 H CB -0.036 29.442 29.762 -0.475 0.000 1.393 507 H HN 0.142 nan 8.280 nan 0.000 0.520 508 F N 1.032 120.984 119.950 0.003 0.000 2.146 508 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 508 F C 2.599 178.402 175.800 0.005 0.000 1.096 508 F CA 1.140 59.138 58.000 -0.003 0.000 1.275 508 F CB -0.289 38.773 39.000 0.104 0.000 1.008 508 F HN 0.199 nan 8.300 nan 0.000 0.480 509 E N 0.562 120.955 120.200 0.323 0.000 2.051 509 E HA -0.278 4.071 4.350 -0.000 0.000 0.192 509 E C 2.226 178.941 176.600 0.192 0.000 0.991 509 E CA 1.438 58.021 56.400 0.306 0.000 0.799 509 E CB -0.192 29.684 29.700 0.294 0.000 0.748 509 E HN 0.550 nan 8.360 nan 0.000 0.449 510 E N -0.063 120.212 120.200 0.125 0.000 2.058 510 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 510 E C 1.941 178.568 176.600 0.045 0.000 0.997 510 E CA 1.155 57.608 56.400 0.087 0.000 0.801 510 E CB -0.149 29.598 29.700 0.079 0.000 0.746 510 E HN 0.299 nan 8.360 nan 0.000 0.450 511 A N 0.245 123.048 122.820 -0.029 0.000 1.902 511 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 511 A C 1.834 179.333 177.584 -0.141 0.000 1.181 511 A CA 1.257 53.194 52.037 -0.166 0.000 0.623 511 A CB -0.740 18.020 19.000 -0.400 0.000 0.818 511 A HN 0.342 nan 8.150 nan 0.000 0.443 512 F N -0.445 119.542 119.950 0.063 0.000 2.407 512 F HA 0.099 4.625 4.527 -0.000 0.000 0.299 512 F C 1.882 177.699 175.800 0.029 0.000 1.097 512 F CA 0.578 58.604 58.000 0.045 0.000 1.422 512 F CB -0.270 38.774 39.000 0.074 0.000 1.067 512 F HN 0.092 nan 8.300 nan 0.000 0.539 513 L N -1.092 120.251 121.223 0.201 0.000 2.425 513 L HA 0.051 4.391 4.340 -0.000 0.000 0.215 513 L C 1.798 178.716 176.870 0.080 0.000 1.065 513 L CA 0.619 55.535 54.840 0.127 0.000 0.842 513 L CB -0.169 41.962 42.059 0.121 0.000 1.033 513 L HN -0.072 nan 8.230 nan 0.000 0.474 514 K N -0.530 119.911 120.400 0.067 0.000 2.367 514 K HA 0.094 4.414 4.320 -0.000 0.000 0.194 514 K C 0.588 177.204 176.600 0.027 0.000 1.027 514 K CA 0.314 56.628 56.287 0.045 0.000 1.075 514 K CB 0.664 33.193 32.500 0.047 0.000 0.845 514 K HN 0.317 nan 8.250 nan 0.000 0.529 515 T N -2.743 111.824 114.554 0.021 0.000 2.804 515 T HA 0.352 4.702 4.350 -0.000 0.000 0.290 515 T C 0.017 174.730 174.700 0.022 0.000 1.099 515 T CA -0.968 61.131 62.100 -0.000 0.000 1.011 515 T CB 1.840 70.681 68.868 -0.045 0.000 1.291 515 T HN -0.088 nan 8.240 nan 0.000 0.523 516 R N 0.345 120.852 120.500 0.012 0.000 2.515 516 R HA 0.526 4.865 4.340 -0.000 0.000 0.294 516 R C 0.856 177.190 176.300 0.058 0.000 1.021 516 R CA -0.258 55.869 56.100 0.046 0.000 1.081 516 R CB -0.067 30.259 30.300 0.044 0.000 1.263 516 R HN 0.795 nan 8.270 nan 0.000 0.557 517 A N 1.114 123.943 122.820 0.016 0.000 2.565 517 A HA -0.082 4.238 4.320 -0.000 0.000 0.237 517 A C 0.446 178.114 177.584 0.141 0.000 1.053 517 A CA 0.273 52.301 52.037 -0.014 0.000 0.755 517 A CB 0.223 19.106 19.000 -0.194 0.000 0.980 517 A HN 0.278 nan 8.150 nan 0.000 0.506 518 D N 0.545 121.021 120.400 0.126 0.000 2.354 518 D HA 0.365 5.005 4.640 -0.000 0.000 0.209 518 D C 0.500 176.962 176.300 0.270 0.000 1.015 518 D CA 1.497 55.616 54.000 0.199 0.000 0.867 518 D CB 0.356 41.239 40.800 0.138 0.000 0.933 518 D HN 0.782 nan 8.370 nan 0.000 0.520 519 A N -0.376 122.603 122.820 0.265 0.000 2.597 519 A HA 0.498 4.818 4.320 -0.000 0.000 0.292 519 A C -1.611 176.052 177.584 0.131 0.000 1.057 519 A CA -0.614 51.623 52.037 0.334 0.000 0.674 519 A CB 1.140 20.281 19.000 0.235 0.000 1.278 519 A HN 0.148 nan 8.150 nan 0.000 0.416 520 C N 0.761 120.198 119.300 0.228 0.000 2.498 520 C HA 0.775 5.235 4.460 -0.000 0.000 0.316 520 C C -0.266 174.871 174.990 0.245 0.000 1.209 520 C CA -0.454 58.562 59.018 -0.003 0.000 1.518 520 C CB 0.757 28.419 27.740 -0.130 0.000 2.147 520 C HN 0.885 nan 8.230 nan 0.000 0.483 521 L N 3.119 124.428 121.223 0.143 0.000 2.329 521 L HA 0.897 5.237 4.340 -0.000 0.000 0.279 521 L C 0.051 177.085 176.870 0.275 0.000 1.014 521 L CA 0.199 55.184 54.840 0.243 0.000 0.814 521 L CB 1.496 43.635 42.059 0.133 0.000 1.257 521 L HN 0.837 nan 8.230 nan 0.000 0.424 522 G N 2.095 111.145 108.800 0.416 0.000 2.524 522 G HA2 0.698 4.658 3.960 -0.000 0.000 0.310 522 G HA3 0.698 4.658 3.960 -0.000 0.000 0.310 522 G C -0.642 174.366 174.900 0.180 0.000 1.279 522 G CA 0.146 45.343 45.100 0.162 0.000 0.974 522 G HN 0.934 nan 8.290 nan 0.000 0.484 523 A N 1.097 123.932 122.820 0.025 0.000 1.857 523 A HA 0.659 4.979 4.320 -0.000 0.000 0.192 523 A C 2.253 179.932 177.584 0.159 0.000 2.203 523 A CA 1.353 53.472 52.037 0.137 0.000 1.377 523 A CB -0.743 18.320 19.000 0.105 0.000 0.976 523 A HN 1.412 nan 8.150 nan 0.000 0.594 524 G N 1.217 110.085 108.800 0.112 0.000 2.469 524 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.219 524 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.219 524 G C 1.696 176.653 174.900 0.095 0.000 1.150 524 G CA 2.049 47.239 45.100 0.150 0.000 0.763 524 G HN 0.764 nan 8.290 nan 0.000 0.561 525 M N -1.396 118.176 119.600 -0.048 0.000 2.202 525 M HA 0.102 4.582 4.480 -0.000 0.000 0.262 525 M C 2.149 178.472 176.300 0.038 0.000 1.063 525 M CA 1.602 56.866 55.300 -0.060 0.000 1.097 525 M CB -0.590 31.884 32.600 -0.210 0.000 1.382 525 M HN 0.067 nan 8.290 nan 0.000 0.413 526 F N 0.105 120.145 119.950 0.150 0.000 2.270 526 F HA 0.021 4.548 4.527 -0.000 0.000 0.295 526 F C 2.632 178.615 175.800 0.305 0.000 1.087 526 F CA 1.228 59.307 58.000 0.132 0.000 1.365 526 F CB -1.382 37.540 39.000 -0.130 0.000 1.056 526 F HN 0.325 nan 8.300 nan 0.000 0.506 527 H N 0.913 120.218 119.070 0.391 0.000 2.357 527 H HA 0.018 4.574 4.556 -0.000 0.000 0.301 527 H C 1.858 177.296 175.328 0.182 0.000 1.082 527 H CA 1.662 57.898 56.048 0.312 0.000 1.342 527 H CB -0.065 29.841 29.762 0.240 0.000 1.389 527 H HN 0.060 nan 8.280 nan 0.000 0.511 528 R N -0.505 119.995 120.500 -0.001 0.000 2.323 528 R HA 0.096 4.436 4.340 -0.000 0.000 0.198 528 R C 1.195 177.483 176.300 -0.020 0.000 0.988 528 R CA 0.531 56.561 56.100 -0.116 0.000 1.041 528 R CB 0.187 30.442 30.300 -0.077 0.000 0.926 528 R HN 0.569 nan 8.270 nan 0.000 0.476 529 G N 1.508 110.357 108.800 0.083 0.000 2.196 529 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.268 529 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.268 529 G C 0.679 175.577 174.900 -0.003 0.000 0.975 529 G CA 0.812 45.956 45.100 0.074 0.000 0.648 529 G HN 0.476 nan 8.290 nan 0.000 0.538 530 E N -1.262 118.927 120.200 -0.018 0.000 2.130 530 E HA 0.022 4.372 4.350 -0.000 0.000 0.196 530 E C 0.507 176.806 176.600 -0.502 0.000 0.998 530 E CA 1.161 57.444 56.400 -0.196 0.000 0.806 530 E CB 0.007 29.704 29.700 -0.005 0.000 0.738 530 E HN 0.618 nan 8.360 nan 0.000 0.459 531 F N -1.182 118.795 119.950 0.046 0.000 2.662 531 F HA 0.242 4.769 4.527 -0.000 0.000 0.312 531 F C 0.145 176.067 175.800 0.204 0.000 1.113 531 F CA -1.095 56.948 58.000 0.072 0.000 0.951 531 F CB 1.858 40.868 39.000 0.016 0.000 1.344 531 F HN -0.286 nan 8.300 nan 0.000 0.462 532 T N -2.271 112.490 114.554 0.345 0.000 2.949 532 T HA 0.477 4.827 4.350 -0.000 0.000 0.287 532 T C 0.606 175.351 174.700 0.074 0.000 1.034 532 T CA -0.693 61.524 62.100 0.196 0.000 1.018 532 T CB 1.481 70.388 68.868 0.065 0.000 1.135 532 T HN 0.305 nan 8.240 nan 0.000 0.532 533 V N 1.560 121.272 119.914 -0.337 0.000 2.392 533 V HA -0.164 3.956 4.120 -0.000 0.000 0.249 533 V C 2.593 178.567 176.094 -0.200 0.000 1.059 533 V CA 2.043 64.056 62.300 -0.477 0.000 1.051 533 V CB -1.170 30.278 31.823 -0.625 0.000 0.658 533 V HN 0.806 nan 8.190 nan 0.000 0.455 534 N N 0.123 118.744 118.700 -0.132 0.000 2.188 534 N HA -0.138 4.602 4.740 -0.000 0.000 0.184 534 N C 1.550 177.051 175.510 -0.016 0.000 1.018 534 N CA 1.268 54.270 53.050 -0.080 0.000 0.858 534 N CB -0.337 38.110 38.487 -0.067 0.000 0.989 534 N HN 0.474 nan 8.380 nan 0.000 0.426 535 D N -0.177 120.249 120.400 0.043 0.000 2.104 535 D HA -0.105 4.535 4.640 -0.000 0.000 0.194 535 D C 1.926 178.266 176.300 0.067 0.000 0.994 535 D CA 0.846 54.914 54.000 0.113 0.000 0.830 535 D CB -0.267 40.691 40.800 0.263 0.000 0.959 535 D HN 0.051 nan 8.370 nan 0.000 0.452 536 V N 1.289 121.187 119.914 -0.026 0.000 2.343 536 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 536 V C 2.393 178.458 176.094 -0.048 0.000 1.051 536 V CA 1.527 63.729 62.300 -0.163 0.000 1.036 536 V CB -0.360 31.178 31.823 -0.475 0.000 0.654 536 V HN 0.156 nan 8.190 nan 0.000 0.451 537 K N -0.391 119.970 120.400 -0.064 0.000 2.057 537 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 537 K C 2.252 178.854 176.600 0.004 0.000 1.049 537 K CA 1.314 57.575 56.287 -0.044 0.000 0.931 537 K CB -0.216 32.226 32.500 -0.096 0.000 0.714 537 K HN 0.410 nan 8.250 nan 0.000 0.440 538 E N 0.327 120.541 120.200 0.023 0.000 2.085 538 E HA -0.233 4.116 4.350 -0.000 0.000 0.194 538 E C 1.904 178.558 176.600 0.090 0.000 0.994 538 E CA 1.314 57.740 56.400 0.044 0.000 0.801 538 E CB -0.425 29.310 29.700 0.058 0.000 0.743 538 E HN 0.371 nan 8.360 nan 0.000 0.453 539 Y N 1.513 121.822 120.300 0.015 0.000 2.114 539 Y HA -0.200 4.350 4.550 -0.000 0.000 0.284 539 Y C 2.347 178.297 175.900 0.083 0.000 1.143 539 Y CA 1.585 59.712 58.100 0.044 0.000 1.135 539 Y CB -0.440 37.989 38.460 -0.052 0.000 0.980 539 Y HN -0.073 nan 8.280 nan 0.000 0.499 540 L N -0.755 120.545 121.223 0.128 0.000 2.012 540 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 540 L C 2.451 179.328 176.870 0.012 0.000 1.073 540 L CA 1.294 56.175 54.840 0.069 0.000 0.748 540 L CB -0.933 41.200 42.059 0.123 0.000 0.891 540 L HN 0.325 nan 8.230 nan 0.000 0.431 541 L N 0.487 121.709 121.223 -0.003 0.000 1.989 541 L HA -0.266 4.074 4.340 -0.000 0.000 0.211 541 L C 2.571 179.419 176.870 -0.037 0.000 1.071 541 L CA 2.002 56.824 54.840 -0.029 0.000 0.749 541 L CB -0.696 41.342 42.059 -0.035 0.000 0.890 541 L HN 0.323 nan 8.230 nan 0.000 0.431 542 E N -1.622 118.558 120.200 -0.034 0.000 2.331 542 E HA -0.269 4.081 4.350 -0.000 0.000 0.199 542 E C 0.696 177.184 176.600 -0.188 0.000 1.008 542 E CA 1.192 57.540 56.400 -0.087 0.000 0.843 542 E CB -0.059 29.603 29.700 -0.064 0.000 0.761 542 E HN 0.696 nan 8.360 nan 0.000 0.507 543 H N -1.714 117.217 119.070 -0.232 0.000 2.487 543 H HA 0.292 4.848 4.556 -0.000 0.000 0.290 543 H C 0.785 176.047 175.328 -0.110 0.000 1.081 543 H CA 0.543 56.469 56.048 -0.202 0.000 1.116 543 H CB 1.121 30.710 29.762 -0.289 0.000 1.560 543 H HN 0.309 nan 8.280 nan 0.000 0.548 544 G N 0.152 108.938 108.800 -0.024 0.000 2.176 544 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.253 544 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.253 544 G C 0.200 175.083 174.900 -0.028 0.000 0.979 544 G CA 0.085 45.168 45.100 -0.029 0.000 0.641 544 G HN 0.301 nan 8.290 nan 0.000 0.530 545 L N 0.496 121.708 121.223 -0.019 0.000 2.439 545 L HA 0.496 4.836 4.340 -0.000 0.000 0.261 545 L C 0.443 177.261 176.870 -0.087 0.000 1.153 545 L CA -0.748 54.059 54.840 -0.054 0.000 0.808 545 L CB 0.684 42.720 42.059 -0.038 0.000 1.126 545 L HN -0.120 nan 8.230 nan 0.000 0.460 546 K N 2.533 122.858 120.400 -0.126 0.000 2.211 546 K HA 0.504 4.824 4.320 -0.000 0.000 0.275 546 K C -0.768 175.741 176.600 -0.150 0.000 1.024 546 K CA -0.367 55.842 56.287 -0.129 0.000 0.887 546 K CB 1.748 34.165 32.500 -0.137 0.000 1.084 546 K HN 0.422 nan 8.250 nan 0.000 0.463 547 V N -0.227 119.605 119.914 -0.136 0.000 2.962 547 V HA 0.528 4.648 4.120 -0.000 0.000 0.313 547 V C -0.024 175.960 176.094 -0.184 0.000 1.099 547 V CA -1.477 60.728 62.300 -0.159 0.000 0.971 547 V CB 2.006 33.747 31.823 -0.136 0.000 1.028 547 V HN 0.778 nan 8.190 nan 0.000 0.430 548 R N 3.752 124.092 120.500 -0.267 0.000 2.449 548 R HA 0.421 4.761 4.340 -0.000 0.000 0.296 548 R C -0.869 175.260 176.300 -0.285 0.000 1.047 548 R CA -0.014 55.878 56.100 -0.346 0.000 1.018 548 R CB 0.464 30.340 30.300 -0.706 0.000 0.962 548 R HN 0.764 nan 8.270 nan 0.000 0.428 549 M N 4.449 123.920 119.600 -0.215 0.000 2.007 549 M HA 0.225 4.705 4.480 -0.000 0.000 0.285 549 M C -1.260 174.956 176.300 -0.140 0.000 0.893 549 M CA -0.863 54.338 55.300 -0.165 0.000 0.925 549 M CB 0.983 33.513 32.600 -0.116 0.000 1.568 549 M HN 0.657 nan 8.290 nan 0.000 0.414 550 D N 0.000 120.306 120.400 -0.157 0.000 6.856 550 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 550 D CA 0.000 53.936 54.000 -0.107 0.000 0.868 550 D CB 0.000 40.727 40.800 -0.122 0.000 0.688 550 D HN 0.000 nan 8.370 nan 0.000 0.683