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 1v9l_1_C DATA FIRST_RESID 4 DATA SEQUENCE TGFLEYVLNY VKKGVELGGF PEDFYKILSR PRRVLIVNIP VRLDGGGFEV DATA SEQUENCE FEGYRVQHCD VLGPYKGGVR FHPEVTLADD VALAILMTLK NSLAGLPYGG DATA SEQUENCE AKGAVRVDPK KLSQRELEEL SRGYARAIAP LIGDVVDIPA PDVGTNAQIM DATA SEQUENCE AWMVDEYSKI KGYNVPGVFT SKPPELWGNP VREYATGFGV AVATREMAKK DATA SEQUENCE LWGGIEGKTV AIQGMGNVGR WTAYWLEKMG AKVIAVSDIN GVAYRKEGLN DATA SEQUENCE VELIQKNKGL TGPALVELFT TKDNAEFVKN PDAIFKLDVD IFVPAAIENV DATA SEQUENCE IRGDNAGLVK ARLVVEGANG PTTPEAERIL YERGVVVVPD ILANAGGVIM DATA SEQUENCE SYLEWVENLQ WYIWDEEETR KRLENIMVNN VERVYKRWQR EKGWTMRDAA DATA SEQUENCE IVTALERIYN AMKIRGWI 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.755 174.700 0.092 0.000 1.109 4 T CA 0.000 62.141 62.100 0.068 0.000 1.349 4 T CB 0.000 68.894 68.868 0.043 0.000 0.612 5 G N 0.966 109.830 108.800 0.107 0.000 2.421 5 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.216 5 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.216 5 G C 1.194 176.221 174.900 0.212 0.000 1.171 5 G CA 0.871 46.045 45.100 0.123 0.000 0.775 5 G HN 0.398 nan 8.290 nan 0.000 0.543 6 F N 1.036 121.015 119.950 0.049 0.000 2.186 6 F HA 0.132 4.659 4.527 -0.000 0.000 0.299 6 F C 2.223 178.103 175.800 0.134 0.000 1.090 6 F CA 0.379 58.437 58.000 0.096 0.000 1.307 6 F CB -0.209 38.817 39.000 0.043 0.000 1.019 6 F HN 0.065 nan 8.300 nan 0.000 0.489 7 L N 0.142 121.408 121.223 0.071 0.000 2.017 7 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 7 L C 2.114 178.962 176.870 -0.037 0.000 1.073 7 L CA 2.189 56.998 54.840 -0.052 0.000 0.745 7 L CB -0.835 41.225 42.059 0.002 0.000 0.894 7 L HN 0.162 nan 8.230 nan 0.000 0.432 8 E N -1.155 119.070 120.200 0.042 0.000 2.110 8 E HA -0.279 4.071 4.350 -0.000 0.000 0.193 8 E C 1.966 178.610 176.600 0.072 0.000 0.988 8 E CA 1.378 57.811 56.400 0.056 0.000 0.804 8 E CB -0.295 29.452 29.700 0.078 0.000 0.745 8 E HN 0.552 nan 8.360 nan 0.000 0.458 9 Y N 0.038 120.315 120.300 -0.038 0.000 2.114 9 Y HA -0.211 4.339 4.550 -0.000 0.000 0.284 9 Y C 1.970 177.815 175.900 -0.091 0.000 1.143 9 Y CA 1.483 59.559 58.100 -0.040 0.000 1.135 9 Y CB -0.530 37.935 38.460 0.007 0.000 0.980 9 Y HN -0.103 nan 8.280 nan 0.000 0.499 10 V N 0.575 120.284 119.914 -0.342 0.000 2.407 10 V HA -0.309 3.810 4.120 -0.000 0.000 0.248 10 V C 2.529 178.529 176.094 -0.157 0.000 1.055 10 V CA 1.913 63.988 62.300 -0.376 0.000 1.049 10 V CB -0.815 30.730 31.823 -0.464 0.000 0.662 10 V HN 0.442 nan 8.190 nan 0.000 0.455 11 L N -0.069 121.090 121.223 -0.107 0.000 2.083 11 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 11 L C 2.271 179.161 176.870 0.034 0.000 1.083 11 L CA 1.742 56.576 54.840 -0.009 0.000 0.752 11 L CB -0.610 41.469 42.059 0.033 0.000 0.899 11 L HN 0.390 nan 8.230 nan 0.000 0.433 12 N N -0.997 117.689 118.700 -0.024 0.000 2.250 12 N HA -0.200 4.540 4.740 -0.000 0.000 0.181 12 N C 1.714 177.183 175.510 -0.067 0.000 1.017 12 N CA 0.664 53.691 53.050 -0.038 0.000 0.866 12 N CB -0.230 38.241 38.487 -0.027 0.000 0.985 12 N HN 0.287 nan 8.380 nan 0.000 0.429 13 Y N 0.290 120.417 120.300 -0.289 0.000 2.256 13 Y HA -0.173 4.377 4.550 -0.000 0.000 0.288 13 Y C 1.476 177.261 175.900 -0.191 0.000 1.155 13 Y CA 1.001 58.915 58.100 -0.310 0.000 1.203 13 Y CB 0.165 38.350 38.460 -0.458 0.000 0.980 13 Y HN -0.119 nan 8.280 nan 0.000 0.530 14 V N 0.052 119.856 119.914 -0.183 0.000 3.354 14 V HA -0.101 4.019 4.120 -0.000 0.000 0.258 14 V C 2.157 178.198 176.094 -0.089 0.000 1.159 14 V CA 0.805 62.983 62.300 -0.205 0.000 1.125 14 V CB -0.108 31.650 31.823 -0.108 0.000 0.774 14 V HN 0.210 nan 8.190 nan 0.000 0.464 15 K N 0.584 120.950 120.400 -0.056 0.000 2.057 15 K HA -0.124 4.195 4.320 -0.000 0.000 0.206 15 K C 2.227 178.740 176.600 -0.145 0.000 1.050 15 K CA 1.040 57.247 56.287 -0.132 0.000 0.935 15 K CB -0.093 32.289 32.500 -0.196 0.000 0.715 15 K HN 0.306 nan 8.250 nan 0.000 0.439 16 K N -0.302 120.001 120.400 -0.161 0.000 2.032 16 K HA -0.111 4.209 4.320 -0.000 0.000 0.209 16 K C 2.220 178.713 176.600 -0.178 0.000 1.048 16 K CA 1.474 57.656 56.287 -0.174 0.000 0.927 16 K CB -0.850 31.528 32.500 -0.203 0.000 0.712 16 K HN 0.283 nan 8.250 nan 0.000 0.441 17 G N 1.265 109.944 108.800 -0.203 0.000 2.442 17 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 17 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 17 G C 1.700 176.641 174.900 0.069 0.000 1.141 17 G CA 0.956 45.972 45.100 -0.139 0.000 0.763 17 G HN 0.144 nan 8.290 nan 0.000 0.554 18 V N 0.614 120.586 119.914 0.098 0.000 2.490 18 V HA -0.173 3.947 4.120 -0.000 0.000 0.250 18 V C 2.620 178.837 176.094 0.205 0.000 1.061 18 V CA 2.208 64.685 62.300 0.295 0.000 1.064 18 V CB -0.435 31.498 31.823 0.184 0.000 0.670 18 V HN 0.495 nan 8.190 nan 0.000 0.461 19 E N 0.202 120.418 120.200 0.027 0.000 2.021 19 E HA -0.095 4.255 4.350 -0.000 0.000 0.189 19 E C 2.216 178.786 176.600 -0.050 0.000 0.980 19 E CA 0.940 57.323 56.400 -0.029 0.000 0.803 19 E CB -0.253 29.407 29.700 -0.067 0.000 0.766 19 E HN 0.434 nan 8.360 nan 0.000 0.449 20 L N 0.619 121.785 121.223 -0.095 0.000 2.189 20 L HA -0.156 4.183 4.340 -0.000 0.000 0.214 20 L C 2.283 179.163 176.870 0.017 0.000 1.097 20 L CA 1.211 55.989 54.840 -0.104 0.000 0.764 20 L CB -0.342 41.422 42.059 -0.492 0.000 0.900 20 L HN 0.240 nan 8.230 nan 0.000 0.436 21 G N -1.770 106.982 108.800 -0.080 0.000 2.838 21 G HA2 0.256 4.216 3.960 -0.000 0.000 0.210 21 G HA3 0.256 4.216 3.960 -0.000 0.000 0.210 21 G C 1.145 175.520 174.900 -0.874 0.000 1.153 21 G CA 0.392 45.252 45.100 -0.400 0.000 0.778 21 G HN 0.463 nan 8.290 nan 0.000 0.539 22 G N -0.313 108.192 108.800 -0.493 0.000 2.256 22 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.272 22 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.272 22 G C -0.009 174.600 174.900 -0.485 0.000 1.076 22 G CA -0.105 44.759 45.100 -0.393 0.000 0.882 22 G HN 0.348 nan 8.290 nan 0.000 0.497 23 F N 0.659 120.515 119.950 -0.156 0.000 2.399 23 F HA 0.596 5.123 4.527 -0.000 0.000 0.328 23 F C -0.727 175.020 175.800 -0.087 0.000 1.084 23 F CA -2.297 55.526 58.000 -0.295 0.000 1.053 23 F CB 0.932 39.700 39.000 -0.387 0.000 1.209 23 F HN -0.026 nan 8.300 nan 0.000 0.502 24 P HA 0.029 nan 4.420 nan 0.000 0.272 24 P C 0.024 177.467 177.300 0.238 0.000 1.230 24 P CA -0.204 63.002 63.100 0.177 0.000 0.788 24 P CB 0.825 32.646 31.700 0.202 0.000 0.949 25 E N 0.543 120.849 120.200 0.176 0.000 2.204 25 E HA -0.226 4.123 4.350 -0.000 0.000 0.194 25 E C 0.580 177.325 176.600 0.241 0.000 0.989 25 E CA 1.109 57.620 56.400 0.184 0.000 0.824 25 E CB -0.496 29.270 29.700 0.110 0.000 0.756 25 E HN 0.255 nan 8.360 nan 0.000 0.477 26 D N 0.811 121.349 120.400 0.229 0.000 2.133 26 D HA -0.202 4.438 4.640 -0.000 0.000 0.195 26 D C 1.503 177.981 176.300 0.297 0.000 0.997 26 D CA 1.145 55.281 54.000 0.226 0.000 0.840 26 D CB -0.533 40.394 40.800 0.211 0.000 0.947 26 D HN 0.329 nan 8.370 nan 0.000 0.452 27 F N -0.125 119.934 119.950 0.181 0.000 2.091 27 F HA -0.359 4.168 4.527 -0.000 0.000 0.299 27 F C 2.358 178.227 175.800 0.115 0.000 1.103 27 F CA 1.214 59.312 58.000 0.164 0.000 1.228 27 F CB -0.160 38.915 39.000 0.126 0.000 0.984 27 F HN -0.006 nan 8.300 nan 0.000 0.477 28 Y N 1.544 121.816 120.300 -0.047 0.000 2.242 28 Y HA -0.198 4.352 4.550 -0.000 0.000 0.291 28 Y C 2.311 178.149 175.900 -0.103 0.000 1.137 28 Y CA 1.541 59.531 58.100 -0.183 0.000 1.181 28 Y CB -0.414 38.002 38.460 -0.074 0.000 0.989 28 Y HN -0.103 nan 8.280 nan 0.000 0.527 29 K N 0.806 121.224 120.400 0.031 0.000 1.977 29 K HA -0.232 4.088 4.320 -0.000 0.000 0.218 29 K C 2.101 178.625 176.600 -0.126 0.000 1.051 29 K CA 2.499 58.773 56.287 -0.022 0.000 0.953 29 K CB -1.031 31.512 32.500 0.072 0.000 0.727 29 K HN 0.596 nan 8.250 nan 0.000 0.445 30 I N -1.111 119.424 120.570 -0.059 0.000 2.394 30 I HA -0.170 4.000 4.170 -0.000 0.000 0.251 30 I C 2.387 178.422 176.117 -0.136 0.000 1.136 30 I CA 1.172 62.437 61.300 -0.059 0.000 1.425 30 I CB -0.472 37.557 38.000 0.049 0.000 1.079 30 I HN 0.016 nan 8.210 nan 0.000 0.425 31 L N 0.798 121.881 121.223 -0.233 0.000 2.291 31 L HA -0.121 4.219 4.340 -0.000 0.000 0.214 31 L C 2.783 179.539 176.870 -0.190 0.000 1.120 31 L CA 1.131 55.820 54.840 -0.253 0.000 0.799 31 L CB -0.077 41.650 42.059 -0.553 0.000 0.925 31 L HN 0.399 nan 8.230 nan 0.000 0.446 32 S N -0.569 114.894 115.700 -0.395 0.000 2.387 32 S HA -0.026 4.444 4.470 -0.000 0.000 0.226 32 S C 1.135 175.642 174.600 -0.154 0.000 1.026 32 S CA 0.431 58.377 58.200 -0.424 0.000 0.972 32 S CB 0.117 62.880 63.200 -0.728 0.000 0.814 32 S HN 0.202 nan 8.310 nan 0.000 0.477 33 R N 2.059 122.490 120.500 -0.115 0.000 2.407 33 R HA 0.451 4.791 4.340 -0.000 0.000 0.303 33 R C -2.764 173.509 176.300 -0.045 0.000 0.981 33 R CA -2.545 53.520 56.100 -0.059 0.000 0.905 33 R CB 0.794 31.052 30.300 -0.070 0.000 1.099 33 R HN 0.337 nan 8.270 nan 0.000 0.459 34 P HA 0.149 nan 4.420 nan 0.000 0.276 34 P C 0.422 177.680 177.300 -0.070 0.000 1.235 34 P CA -0.303 62.801 63.100 0.006 0.000 0.772 34 P CB 1.216 32.961 31.700 0.075 0.000 0.871 35 R N 2.884 123.324 120.500 -0.100 0.000 2.097 35 R HA -0.101 4.238 4.340 -0.000 0.000 0.236 35 R C 0.659 176.937 176.300 -0.037 0.000 1.135 35 R CA 1.532 57.603 56.100 -0.048 0.000 0.934 35 R CB 0.116 30.441 30.300 0.042 0.000 0.846 35 R HN 0.508 nan 8.270 nan 0.000 0.431 36 R N -0.920 119.549 120.500 -0.051 0.000 2.750 36 R HA 0.423 4.763 4.340 -0.000 0.000 0.281 36 R C -1.644 174.608 176.300 -0.080 0.000 0.972 36 R CA -0.620 55.440 56.100 -0.066 0.000 0.912 36 R CB 2.606 32.861 30.300 -0.076 0.000 1.187 36 R HN -0.056 nan 8.270 nan 0.000 0.464 37 V N 4.116 123.999 119.914 -0.053 0.000 2.567 37 V HA 0.327 4.447 4.120 -0.000 0.000 0.298 37 V C -0.854 175.236 176.094 -0.006 0.000 1.047 37 V CA -0.744 61.533 62.300 -0.038 0.000 0.880 37 V CB 1.751 33.544 31.823 -0.051 0.000 1.009 37 V HN 0.591 nan 8.190 nan 0.000 0.429 38 L N 6.159 127.397 121.223 0.025 0.000 2.276 38 L HA 0.621 4.961 4.340 -0.000 0.000 0.286 38 L C -0.840 176.105 176.870 0.126 0.000 1.024 38 L CA -0.369 54.501 54.840 0.051 0.000 0.826 38 L CB 1.199 43.274 42.059 0.027 0.000 1.211 38 L HN 0.598 nan 8.230 nan 0.000 0.422 39 I N 5.607 126.246 120.570 0.115 0.000 2.359 39 I HA 0.423 4.593 4.170 -0.000 0.000 0.294 39 I C -0.161 176.042 176.117 0.143 0.000 0.987 39 I CA -0.649 60.757 61.300 0.178 0.000 1.225 39 I CB 1.851 39.929 38.000 0.130 0.000 1.366 39 I HN 0.331 nan 8.210 nan 0.000 0.466 40 V N 2.779 122.797 119.914 0.173 0.000 3.007 40 V HA 0.598 4.718 4.120 -0.000 0.000 0.311 40 V C -0.973 175.201 176.094 0.134 0.000 1.120 40 V CA -0.741 61.638 62.300 0.131 0.000 0.980 40 V CB 2.250 34.143 31.823 0.117 0.000 1.033 40 V HN 0.665 nan 8.190 nan 0.000 0.429 41 N N 3.510 122.271 118.700 0.101 0.000 2.518 41 N HA 0.524 5.264 4.740 -0.000 0.000 0.254 41 N C -0.718 174.839 175.510 0.078 0.000 0.979 41 N CA -0.228 52.872 53.050 0.084 0.000 0.930 41 N CB 1.892 40.413 38.487 0.056 0.000 1.152 41 N HN 0.846 nan 8.380 nan 0.000 0.505 42 I N 1.710 122.337 120.570 0.096 0.000 2.301 42 I HA 0.312 4.482 4.170 -0.000 0.000 0.292 42 I C -2.116 174.022 176.117 0.035 0.000 1.046 42 I CA -1.884 59.468 61.300 0.087 0.000 1.282 42 I CB 0.740 38.811 38.000 0.119 0.000 1.409 42 I HN 0.071 nan 8.210 nan 0.000 0.484 43 P HA 0.247 nan 4.420 nan 0.000 0.282 43 P C -0.574 176.606 177.300 -0.200 0.000 1.262 43 P CA -0.135 62.833 63.100 -0.221 0.000 0.773 43 P CB 1.891 33.603 31.700 0.019 0.000 0.879 44 V N 4.567 124.280 119.914 -0.335 0.000 2.680 44 V HA 0.439 4.559 4.120 -0.000 0.000 0.309 44 V C 0.608 176.591 176.094 -0.184 0.000 1.052 44 V CA -0.879 61.348 62.300 -0.121 0.000 0.908 44 V CB 2.446 34.316 31.823 0.079 0.000 1.001 44 V HN 0.507 nan 8.190 nan 0.000 0.431 45 R N 4.041 124.552 120.500 0.017 0.000 2.204 45 R HA 0.477 4.817 4.340 -0.000 0.000 0.341 45 R C -0.665 175.673 176.300 0.062 0.000 1.035 45 R CA -0.474 55.701 56.100 0.124 0.000 0.887 45 R CB 0.364 30.767 30.300 0.171 0.000 1.114 45 R HN 0.709 nan 8.270 nan 0.000 0.473 46 L N 3.572 124.829 121.223 0.056 0.000 2.492 46 L HA -0.096 4.244 4.340 -0.000 0.000 0.280 46 L C 1.366 178.255 176.870 0.033 0.000 1.240 46 L CA -0.122 54.743 54.840 0.040 0.000 0.831 46 L CB 0.301 42.384 42.059 0.039 0.000 1.100 46 L HN 0.626 nan 8.230 nan 0.000 0.505 47 D N 2.015 122.425 120.400 0.017 0.000 1.706 47 D HA -0.135 4.505 4.640 -0.000 0.000 0.299 47 D C 1.650 177.960 176.300 0.016 0.000 1.173 47 D CA 1.535 55.541 54.000 0.011 0.000 1.020 47 D CB -0.429 40.372 40.800 0.002 0.000 1.690 47 D HN 0.795 nan 8.370 nan 0.000 0.585 48 G N 0.113 108.920 108.800 0.012 0.000 2.479 48 G HA2 -0.055 3.904 3.960 -0.000 0.000 0.220 48 G HA3 -0.055 3.904 3.960 -0.000 0.000 0.220 48 G C 1.024 175.935 174.900 0.018 0.000 1.115 48 G CA 1.222 46.330 45.100 0.013 0.000 0.757 48 G HN 0.405 nan 8.290 nan 0.000 0.560 49 G N -0.371 108.442 108.800 0.023 0.000 2.467 49 G HA2 0.429 4.389 3.960 -0.000 0.000 0.243 49 G HA3 0.429 4.389 3.960 -0.000 0.000 0.243 49 G C 0.870 175.797 174.900 0.045 0.000 1.521 49 G CA 0.572 45.690 45.100 0.029 0.000 1.055 49 G HN 0.548 nan 8.290 nan 0.000 0.553 50 G N -1.735 107.104 108.800 0.064 0.000 2.844 50 G HA2 0.475 4.435 3.960 -0.000 0.000 0.204 50 G HA3 0.475 4.435 3.960 -0.000 0.000 0.204 50 G C -0.926 174.096 174.900 0.203 0.000 1.815 50 G CA -0.486 44.678 45.100 0.107 0.000 0.739 50 G HN 0.411 nan 8.290 nan 0.000 0.807 51 F N 0.088 120.021 119.950 -0.027 0.000 2.579 51 F HA 0.733 5.260 4.527 -0.000 0.000 0.324 51 F C -0.783 174.969 175.800 -0.079 0.000 1.058 51 F CA -0.781 57.196 58.000 -0.038 0.000 0.944 51 F CB 2.690 41.667 39.000 -0.038 0.000 1.245 51 F HN 0.330 nan 8.300 nan 0.000 0.477 52 E N 1.794 121.591 120.200 -0.672 0.000 2.422 52 E HA 0.419 4.768 4.350 -0.000 0.000 0.289 52 E C -2.025 174.064 176.600 -0.851 0.000 0.985 52 E CA -0.468 55.546 56.400 -0.643 0.000 0.812 52 E CB 1.974 31.317 29.700 -0.596 0.000 1.226 52 E HN 0.290 nan 8.360 nan 0.000 0.419 53 V N 5.006 124.519 119.914 -0.668 0.000 2.350 53 V HA 0.510 4.630 4.120 -0.000 0.000 0.285 53 V C -0.539 175.275 176.094 -0.467 0.000 1.014 53 V CA -0.554 61.471 62.300 -0.459 0.000 0.831 53 V CB 0.316 32.010 31.823 -0.214 0.000 1.000 53 V HN 0.555 nan 8.190 nan 0.000 0.433 54 F N 2.387 122.244 119.950 -0.154 0.000 2.394 54 F HA 0.443 4.969 4.527 -0.000 0.000 0.340 54 F C 0.705 176.459 175.800 -0.078 0.000 1.105 54 F CA -0.330 57.591 58.000 -0.130 0.000 1.124 54 F CB 1.088 39.977 39.000 -0.184 0.000 1.145 54 F HN 0.454 nan 8.300 nan 0.000 0.505 55 E N 1.455 121.721 120.200 0.111 0.000 2.216 55 E HA 0.630 4.980 4.350 -0.000 0.000 0.279 55 E C -0.319 176.315 176.600 0.055 0.000 0.997 55 E CA -0.429 56.028 56.400 0.096 0.000 0.817 55 E CB 1.237 30.998 29.700 0.102 0.000 1.096 55 E HN 0.843 nan 8.360 nan 0.000 0.393 56 G N 2.467 111.318 108.800 0.085 0.000 2.695 56 G HA2 0.586 4.546 3.960 -0.000 0.000 0.290 56 G HA3 0.586 4.546 3.960 -0.000 0.000 0.290 56 G C -1.844 173.135 174.900 0.132 0.000 1.410 56 G CA -0.617 44.457 45.100 -0.043 0.000 0.844 56 G HN 0.529 nan 8.290 nan 0.000 0.478 57 Y N -2.070 118.408 120.300 0.297 0.000 2.713 57 Y HA 0.877 5.427 4.550 -0.000 0.000 0.335 57 Y C -1.058 174.989 175.900 0.246 0.000 1.222 57 Y CA -1.824 56.413 58.100 0.228 0.000 1.061 57 Y CB 1.429 39.963 38.460 0.123 0.000 1.314 57 Y HN 0.727 nan 8.280 nan 0.000 0.453 58 R N 0.744 121.483 120.500 0.398 0.000 2.575 58 R HA 0.784 5.124 4.340 -0.000 0.000 0.293 58 R C -2.400 173.987 176.300 0.146 0.000 0.983 58 R CA -0.957 55.291 56.100 0.247 0.000 0.887 58 R CB 1.920 32.269 30.300 0.082 0.000 1.184 58 R HN 0.735 nan 8.270 nan 0.000 0.445 59 V N 5.706 125.687 119.914 0.113 0.000 2.347 59 V HA 0.394 4.514 4.120 -0.000 0.000 0.280 59 V C -0.373 175.662 176.094 -0.099 0.000 1.021 59 V CA -0.532 61.774 62.300 0.011 0.000 0.847 59 V CB 1.456 33.303 31.823 0.040 0.000 0.990 59 V HN 0.692 nan 8.190 nan 0.000 0.444 60 Q N 3.121 122.776 119.800 -0.241 0.000 2.400 60 Q HA 0.317 4.657 4.340 -0.000 0.000 0.255 60 Q C 0.274 176.149 176.000 -0.208 0.000 1.008 60 Q CA -0.475 54.974 55.803 -0.589 0.000 0.841 60 Q CB 1.852 29.803 28.738 -1.312 0.000 1.220 60 Q HN 0.823 nan 8.270 nan 0.000 0.474 61 H N 1.706 120.761 119.070 -0.026 0.000 2.266 61 H HA 0.065 4.621 4.556 -0.000 0.000 0.309 61 H C -0.295 175.180 175.328 0.246 0.000 1.054 61 H CA 1.018 57.121 56.048 0.090 0.000 1.328 61 H CB 0.490 30.281 29.762 0.050 0.000 1.407 61 H HN 0.595 nan 8.280 nan 0.000 0.508 62 C N 1.421 120.840 119.300 0.199 0.000 2.505 62 C HA 0.300 4.760 4.460 -0.000 0.000 0.342 62 C C -1.279 173.738 174.990 0.045 0.000 1.121 62 C CA -0.843 58.232 59.018 0.095 0.000 1.306 62 C CB 0.004 27.738 27.740 -0.010 0.000 1.897 62 C HN 0.606 nan 8.230 nan 0.000 0.446 63 D N 3.701 124.011 120.400 -0.151 0.000 2.557 63 D HA 0.313 4.952 4.640 -0.000 0.000 0.236 63 D C 1.029 177.244 176.300 -0.141 0.000 1.154 63 D CA 0.238 53.979 54.000 -0.431 0.000 0.985 63 D CB 1.034 41.285 40.800 -0.915 0.000 1.010 63 D HN 0.598 nan 8.370 nan 0.000 0.516 64 V N -0.523 119.277 119.914 -0.190 0.000 3.250 64 V HA 0.180 4.300 4.120 -0.000 0.000 0.240 64 V C 1.727 177.669 176.094 -0.252 0.000 1.275 64 V CA -0.009 62.078 62.300 -0.357 0.000 1.206 64 V CB -0.333 31.160 31.823 -0.549 0.000 0.976 64 V HN 0.225 nan 8.190 nan 0.000 0.467 65 L N 1.510 122.635 121.223 -0.163 0.000 2.492 65 L HA 0.681 5.021 4.340 -0.000 0.000 0.223 65 L C 1.159 177.983 176.870 -0.076 0.000 1.132 65 L CA 1.034 55.805 54.840 -0.115 0.000 0.850 65 L CB -0.338 41.671 42.059 -0.083 0.000 0.966 65 L HN 0.689 nan 8.230 nan 0.000 0.454 66 G N -0.674 108.082 108.800 -0.073 0.000 2.343 66 G HA2 0.100 4.060 3.960 -0.000 0.000 0.289 66 G HA3 0.100 4.060 3.960 -0.000 0.000 0.289 66 G C -3.095 171.766 174.900 -0.065 0.000 1.295 66 G CA -0.842 44.249 45.100 -0.016 0.000 0.869 66 G HN -0.304 nan 8.290 nan 0.000 0.522 67 P HA 0.250 nan 4.420 nan 0.000 0.269 67 P C -0.574 176.641 177.300 -0.141 0.000 1.209 67 P CA 0.109 63.153 63.100 -0.094 0.000 0.776 67 P CB 0.211 31.918 31.700 0.012 0.000 0.876 68 Y N 1.296 121.536 120.300 -0.099 0.000 2.788 68 Y HA 0.139 4.689 4.550 -0.000 0.000 0.341 68 Y C 1.366 177.071 175.900 -0.324 0.000 1.258 68 Y CA 1.017 59.030 58.100 -0.145 0.000 1.503 68 Y CB 0.102 38.504 38.460 -0.096 0.000 1.325 68 Y HN 0.329 nan 8.280 nan 0.000 0.614 69 K N 0.712 121.011 120.400 -0.168 0.000 2.535 69 K HA 0.759 5.079 4.320 -0.000 0.000 0.251 69 K C -0.838 175.620 176.600 -0.238 0.000 0.942 69 K CA -0.237 55.787 56.287 -0.439 0.000 0.798 69 K CB 1.980 33.920 32.500 -0.934 0.000 1.267 69 K HN 0.870 nan 8.250 nan 0.000 0.434 70 G N 0.640 109.308 108.800 -0.220 0.000 2.355 70 G HA2 0.456 4.416 3.960 -0.000 0.000 0.296 70 G HA3 0.456 4.416 3.960 -0.000 0.000 0.296 70 G C -0.976 173.871 174.900 -0.087 0.000 1.507 70 G CA -0.322 44.709 45.100 -0.114 0.000 0.823 70 G HN 0.699 nan 8.290 nan 0.000 0.569 71 G N -1.617 107.157 108.800 -0.043 0.000 2.477 71 G HA2 0.672 4.632 3.960 -0.000 0.000 0.304 71 G HA3 0.672 4.632 3.960 -0.000 0.000 0.304 71 G C -0.617 174.283 174.900 -0.000 0.000 1.175 71 G CA -0.207 44.877 45.100 -0.027 0.000 0.907 71 G HN 1.534 nan 8.290 nan 0.000 0.509 72 V N 0.877 120.781 119.914 -0.017 0.000 2.448 72 V HA 0.632 4.752 4.120 -0.000 0.000 0.295 72 V C -0.209 175.802 176.094 -0.139 0.000 1.025 72 V CA -0.985 61.290 62.300 -0.042 0.000 0.859 72 V CB 1.053 32.884 31.823 0.013 0.000 0.988 72 V HN 0.786 nan 8.190 nan 0.000 0.431 73 R N 6.002 126.459 120.500 -0.071 0.000 2.428 73 R HA 0.515 4.855 4.340 -0.000 0.000 0.294 73 R C -0.867 175.528 176.300 0.159 0.000 1.000 73 R CA -0.286 55.808 56.100 -0.010 0.000 0.960 73 R CB 1.634 31.957 30.300 0.038 0.000 1.076 73 R HN 0.717 nan 8.270 nan 0.000 0.475 74 F N 3.373 123.280 119.950 -0.071 0.000 2.366 74 F HA 0.245 4.772 4.527 -0.000 0.000 0.357 74 F C 0.095 175.884 175.800 -0.019 0.000 1.107 74 F CA -0.635 57.305 58.000 -0.099 0.000 1.208 74 F CB 0.761 39.689 39.000 -0.121 0.000 1.464 74 F HN 0.415 nan 8.300 nan 0.000 0.501 75 H N 4.601 123.714 119.070 0.073 0.000 2.806 75 H HA 0.264 4.820 4.556 -0.000 0.000 0.367 75 H C -2.285 173.049 175.328 0.010 0.000 1.136 75 H CA -1.875 54.193 56.048 0.033 0.000 1.178 75 H CB 3.189 32.969 29.762 0.030 0.000 1.718 75 H HN 0.108 nan 8.280 nan 0.000 0.540 76 P HA -0.057 nan 4.420 nan 0.000 0.217 76 P C 0.074 177.496 177.300 0.203 0.000 1.151 76 P CA 0.974 64.111 63.100 0.062 0.000 0.828 76 P CB 0.549 32.218 31.700 -0.052 0.000 0.788 77 E N 0.165 120.637 120.200 0.452 0.000 2.354 77 E HA 0.219 4.569 4.350 -0.000 0.000 0.260 77 E C -0.376 176.303 176.600 0.132 0.000 1.405 77 E CA -0.363 56.184 56.400 0.246 0.000 1.728 77 E CB 0.125 29.955 29.700 0.216 0.000 1.471 77 E HN 0.049 nan 8.360 nan 0.000 0.441 78 V N 0.779 120.787 119.914 0.158 0.000 2.539 78 V HA 0.295 4.415 4.120 -0.000 0.000 0.292 78 V C 0.308 176.502 176.094 0.166 0.000 1.045 78 V CA -0.277 62.099 62.300 0.128 0.000 0.945 78 V CB 1.861 33.765 31.823 0.135 0.000 0.993 78 V HN 0.201 nan 8.190 nan 0.000 0.464 79 T N 3.656 118.317 114.554 0.178 0.000 2.903 79 T HA 0.433 4.783 4.350 -0.000 0.000 0.299 79 T C 0.730 175.514 174.700 0.142 0.000 1.093 79 T CA -0.531 61.664 62.100 0.157 0.000 1.002 79 T CB 1.471 70.391 68.868 0.087 0.000 1.127 79 T HN 0.460 nan 8.240 nan 0.000 0.488 80 L N 3.188 124.396 121.223 -0.025 0.000 1.956 80 L HA -0.029 4.311 4.340 -0.000 0.000 0.216 80 L C 2.978 179.776 176.870 -0.121 0.000 1.073 80 L CA 2.284 56.944 54.840 -0.300 0.000 0.762 80 L CB -0.866 40.972 42.059 -0.369 0.000 0.889 80 L HN 0.967 nan 8.230 nan 0.000 0.433 81 A N -0.183 122.605 122.820 -0.052 0.000 1.929 81 A HA -0.361 3.959 4.320 -0.000 0.000 0.221 81 A C 1.805 179.418 177.584 0.048 0.000 1.211 81 A CA 2.562 54.596 52.037 -0.007 0.000 0.657 81 A CB -0.988 18.023 19.000 0.019 0.000 0.827 81 A HN 0.558 nan 8.150 nan 0.000 0.462 82 D N -0.106 120.361 120.400 0.112 0.000 2.123 82 D HA -0.114 4.526 4.640 -0.000 0.000 0.196 82 D C 1.575 177.988 176.300 0.189 0.000 0.992 82 D CA 1.396 55.529 54.000 0.221 0.000 0.833 82 D CB -0.411 40.506 40.800 0.195 0.000 0.954 82 D HN 0.514 nan 8.370 nan 0.000 0.455 83 D N -0.143 120.346 120.400 0.149 0.000 2.178 83 D HA -0.070 4.570 4.640 -0.000 0.000 0.202 83 D C 2.145 178.494 176.300 0.082 0.000 0.974 83 D CA 0.399 54.498 54.000 0.164 0.000 0.841 83 D CB 0.359 41.356 40.800 0.329 0.000 0.953 83 D HN 0.078 nan 8.370 nan 0.000 0.478 84 V N 1.683 121.608 119.914 0.019 0.000 2.358 84 V HA -0.208 3.911 4.120 -0.000 0.000 0.246 84 V C 2.597 178.658 176.094 -0.054 0.000 1.047 84 V CA 1.667 63.956 62.300 -0.018 0.000 1.035 84 V CB -0.622 31.177 31.823 -0.041 0.000 0.658 84 V HN 0.137 nan 8.190 nan 0.000 0.452 85 A N 0.123 122.911 122.820 -0.054 0.000 1.865 85 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 85 A C 2.201 179.705 177.584 -0.133 0.000 1.191 85 A CA 1.940 53.888 52.037 -0.148 0.000 0.623 85 A CB -0.658 18.207 19.000 -0.225 0.000 0.826 85 A HN 0.491 nan 8.150 nan 0.000 0.444 86 L N -0.748 120.476 121.223 0.001 0.000 2.079 86 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 86 L C 3.055 179.913 176.870 -0.021 0.000 1.081 86 L CA 1.042 55.908 54.840 0.043 0.000 0.752 86 L CB -0.618 41.516 42.059 0.125 0.000 0.896 86 L HN 0.465 nan 8.230 nan 0.000 0.433 87 A N 0.393 123.190 122.820 -0.038 0.000 1.933 87 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 87 A C 2.209 179.673 177.584 -0.200 0.000 1.175 87 A CA 1.436 53.441 52.037 -0.053 0.000 0.628 87 A CB -0.590 18.412 19.000 0.003 0.000 0.814 87 A HN 0.375 nan 8.150 nan 0.000 0.444 88 I N -0.478 119.866 120.570 -0.377 0.000 2.315 88 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 88 I C 2.327 178.276 176.117 -0.281 0.000 1.117 88 I CA 0.979 61.903 61.300 -0.626 0.000 1.404 88 I CB -0.356 37.326 38.000 -0.530 0.000 1.071 88 I HN 0.285 nan 8.210 nan 0.000 0.419 89 L N -0.554 120.576 121.223 -0.155 0.000 2.046 89 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 89 L C 2.636 179.490 176.870 -0.028 0.000 1.077 89 L CA 1.151 55.959 54.840 -0.053 0.000 0.747 89 L CB -0.409 41.636 42.059 -0.024 0.000 0.896 89 L HN 0.255 nan 8.230 nan 0.000 0.432 90 M N -0.389 119.191 119.600 -0.032 0.000 2.108 90 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 90 M C 2.243 178.548 176.300 0.007 0.000 1.066 90 M CA 1.987 57.283 55.300 -0.006 0.000 1.107 90 M CB -0.553 32.043 32.600 -0.008 0.000 1.356 90 M HN 0.100 nan 8.290 nan 0.000 0.406 91 T N 0.366 114.919 114.554 -0.003 0.000 2.720 91 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 91 T C 1.783 176.504 174.700 0.035 0.000 1.037 91 T CA 1.482 63.615 62.100 0.055 0.000 1.144 91 T CB -0.314 68.638 68.868 0.140 0.000 0.864 91 T HN 0.355 nan 8.240 nan 0.000 0.444 92 L N 0.301 121.525 121.223 0.002 0.000 2.095 92 L HA 0.010 4.350 4.340 -0.000 0.000 0.204 92 L C 2.654 179.539 176.870 0.025 0.000 1.080 92 L CA 1.161 56.007 54.840 0.010 0.000 0.759 92 L CB -0.391 41.668 42.059 -0.002 0.000 0.914 92 L HN 0.184 nan 8.230 nan 0.000 0.439 93 K N 0.735 121.153 120.400 0.029 0.000 2.032 93 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 93 K C 1.744 178.364 176.600 0.034 0.000 1.048 93 K CA 2.010 58.319 56.287 0.036 0.000 0.927 93 K CB -0.102 32.420 32.500 0.037 0.000 0.712 93 K HN 0.345 nan 8.250 nan 0.000 0.441 94 N N -0.271 118.453 118.700 0.040 0.000 2.166 94 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 94 N C 1.816 177.333 175.510 0.013 0.000 1.019 94 N CA 1.117 54.198 53.050 0.051 0.000 0.856 94 N CB -0.090 38.452 38.487 0.092 0.000 0.993 94 N HN 0.172 nan 8.380 nan 0.000 0.426 95 S N 1.107 116.816 115.700 0.015 0.000 2.356 95 S HA -0.043 4.427 4.470 -0.000 0.000 0.223 95 S C 1.864 176.464 174.600 -0.000 0.000 1.032 95 S CA 0.655 58.856 58.200 0.001 0.000 1.005 95 S CB -0.295 62.915 63.200 0.017 0.000 0.867 95 S HN 0.283 nan 8.310 nan 0.000 0.449 96 L N 0.946 122.177 121.223 0.014 0.000 2.083 96 L HA -0.053 4.287 4.340 -0.000 0.000 0.209 96 L C 2.521 179.396 176.870 0.009 0.000 1.083 96 L CA 1.453 56.305 54.840 0.020 0.000 0.752 96 L CB -0.672 41.404 42.059 0.030 0.000 0.899 96 L HN 0.499 nan 8.230 nan 0.000 0.433 97 A N -0.645 122.174 122.820 -0.001 0.000 2.209 97 A HA 0.090 4.410 4.320 -0.000 0.000 0.212 97 A C 1.614 179.165 177.584 -0.055 0.000 1.158 97 A CA 0.829 52.858 52.037 -0.014 0.000 0.742 97 A CB -0.715 18.283 19.000 -0.003 0.000 0.790 97 A HN 0.633 nan 8.150 nan 0.000 0.472 98 G N -1.141 107.620 108.800 -0.064 0.000 2.179 98 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.257 98 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.257 98 G C 0.013 174.791 174.900 -0.203 0.000 1.010 98 G CA 0.585 45.628 45.100 -0.095 0.000 0.736 98 G HN 0.510 nan 8.290 nan 0.000 0.513 99 L N 0.336 121.396 121.223 -0.271 0.000 2.343 99 L HA 0.472 4.812 4.340 -0.000 0.000 0.275 99 L C -1.481 175.136 176.870 -0.422 0.000 1.056 99 L CA -2.380 52.123 54.840 -0.562 0.000 0.804 99 L CB 1.515 43.216 42.059 -0.596 0.000 1.203 99 L HN -0.102 nan 8.230 nan 0.000 0.440 100 P HA 0.119 nan 4.420 nan 0.000 0.220 100 P C -1.205 176.022 177.300 -0.122 0.000 1.806 100 P CA 0.253 63.219 63.100 -0.224 0.000 0.976 100 P CB -0.431 31.204 31.700 -0.107 0.000 1.952 101 Y N -0.792 119.399 120.300 -0.181 0.000 2.446 101 Y HA 0.414 4.964 4.550 -0.000 0.000 0.345 101 Y C 1.773 177.599 175.900 -0.123 0.000 0.984 101 Y CA -1.195 56.794 58.100 -0.184 0.000 1.058 101 Y CB 2.252 40.596 38.460 -0.194 0.000 1.220 101 Y HN 0.069 nan 8.280 nan 0.000 0.455 102 G N 1.614 110.433 108.800 0.032 0.000 2.699 102 G HA2 0.347 4.307 3.960 -0.000 0.000 0.214 102 G HA3 0.347 4.307 3.960 -0.000 0.000 0.214 102 G C 0.163 175.122 174.900 0.099 0.000 1.350 102 G CA 0.475 45.582 45.100 0.011 0.000 0.873 102 G HN 1.026 nan 8.290 nan 0.000 0.570 103 G N -1.743 107.145 108.800 0.148 0.000 2.177 103 G HA2 0.591 4.551 3.960 -0.000 0.000 0.202 103 G HA3 0.591 4.551 3.960 -0.000 0.000 0.202 103 G C -0.807 174.199 174.900 0.176 0.000 1.581 103 G CA 0.135 45.313 45.100 0.131 0.000 0.983 103 G HN 1.587 nan 8.290 nan 0.000 0.689 104 A N 1.151 124.005 122.820 0.057 0.000 2.581 104 A HA 1.013 5.333 4.320 -0.000 0.000 0.290 104 A C -0.949 176.637 177.584 0.003 0.000 1.119 104 A CA -0.744 51.300 52.037 0.012 0.000 0.670 104 A CB 2.320 21.279 19.000 -0.068 0.000 1.280 104 A HN 1.502 nan 8.150 nan 0.000 0.425 105 K N -0.708 119.708 120.400 0.027 0.000 2.569 105 K HA 0.587 4.907 4.320 -0.000 0.000 0.259 105 K C -0.395 176.281 176.600 0.128 0.000 0.932 105 K CA 0.476 56.801 56.287 0.063 0.000 0.833 105 K CB 1.896 34.446 32.500 0.082 0.000 1.340 105 K HN 1.495 nan 8.250 nan 0.000 0.429 106 G N 0.922 109.794 108.800 0.120 0.000 2.568 106 G HA2 0.903 4.863 3.960 -0.000 0.000 0.313 106 G HA3 0.903 4.863 3.960 -0.000 0.000 0.313 106 G C -1.381 173.528 174.900 0.015 0.000 1.227 106 G CA -0.450 44.746 45.100 0.161 0.000 0.979 106 G HN 0.747 nan 8.290 nan 0.000 0.486 107 A N -0.920 121.764 122.820 -0.227 0.000 2.594 107 A HA 0.679 4.999 4.320 -0.000 0.000 0.296 107 A C -1.709 175.533 177.584 -0.569 0.000 1.056 107 A CA -0.412 51.404 52.037 -0.368 0.000 0.693 107 A CB 1.674 20.480 19.000 -0.322 0.000 1.278 107 A HN 1.441 nan 8.150 nan 0.000 0.408 108 V N 1.710 121.439 119.914 -0.307 0.000 2.569 108 V HA 0.461 4.581 4.120 -0.000 0.000 0.301 108 V C 0.175 176.148 176.094 -0.201 0.000 1.044 108 V CA -0.511 61.590 62.300 -0.331 0.000 0.874 108 V CB 1.757 33.263 31.823 -0.528 0.000 1.002 108 V HN 0.918 nan 8.190 nan 0.000 0.424 109 R N 3.634 124.069 120.500 -0.109 0.000 2.351 109 R HA 0.589 4.929 4.340 -0.000 0.000 0.321 109 R C -0.983 175.320 176.300 0.005 0.000 1.182 109 R CA 0.253 56.349 56.100 -0.006 0.000 1.011 109 R CB 0.466 30.800 30.300 0.057 0.000 1.048 109 R HN 0.547 nan 8.270 nan 0.000 0.490 110 V N 2.637 122.506 119.914 -0.075 0.000 3.264 110 V HA 0.181 4.300 4.120 -0.000 0.000 0.294 110 V C -1.866 174.144 176.094 -0.141 0.000 1.429 110 V CA -0.951 61.284 62.300 -0.109 0.000 1.053 110 V CB 2.409 33.989 31.823 -0.404 0.000 1.128 110 V HN 0.738 nan 8.190 nan 0.000 0.452 111 D N 4.857 125.187 120.400 -0.117 0.000 2.477 111 D HA 0.402 5.042 4.640 -0.000 0.000 0.239 111 D C -1.667 174.569 176.300 -0.106 0.000 1.102 111 D CA -1.635 52.291 54.000 -0.124 0.000 0.901 111 D CB 2.125 42.864 40.800 -0.102 0.000 1.026 111 D HN 0.456 nan 8.370 nan 0.000 0.515 112 P HA -0.158 nan 4.420 nan 0.000 0.220 112 P C 0.561 177.847 177.300 -0.024 0.000 1.144 112 P CA 0.691 63.764 63.100 -0.045 0.000 0.800 112 P CB 0.285 32.030 31.700 0.074 0.000 0.772 113 K N -0.309 120.073 120.400 -0.030 0.000 2.790 113 K HA 0.031 4.351 4.320 -0.000 0.000 0.229 113 K C 1.316 177.903 176.600 -0.021 0.000 1.040 113 K CA 0.206 56.482 56.287 -0.019 0.000 1.211 113 K CB 0.068 32.555 32.500 -0.022 0.000 1.002 113 K HN -0.048 nan 8.250 nan 0.000 0.479 114 K N -0.459 119.924 120.400 -0.027 0.000 2.585 114 K HA 0.237 4.557 4.320 -0.000 0.000 0.210 114 K C -0.103 176.488 176.600 -0.016 0.000 1.504 114 K CA 0.093 56.369 56.287 -0.018 0.000 1.029 114 K CB 0.749 33.240 32.500 -0.016 0.000 1.332 114 K HN -0.029 nan 8.250 nan 0.000 0.569 115 L N 1.639 122.841 121.223 -0.035 0.000 2.421 115 L HA 0.363 4.703 4.340 -0.000 0.000 0.263 115 L C 0.691 177.546 176.870 -0.025 0.000 1.122 115 L CA -0.680 54.134 54.840 -0.044 0.000 0.804 115 L CB 1.423 43.415 42.059 -0.112 0.000 1.150 115 L HN 0.154 nan 8.230 nan 0.000 0.457 116 S N 0.324 116.010 115.700 -0.025 0.000 2.671 116 S HA 0.158 4.628 4.470 -0.000 0.000 0.272 116 S C 0.658 175.253 174.600 -0.007 0.000 1.174 116 S CA -0.674 57.520 58.200 -0.010 0.000 1.004 116 S CB 1.009 64.201 63.200 -0.014 0.000 1.077 116 S HN 0.582 nan 8.310 nan 0.000 0.553 117 Q N 0.230 120.038 119.800 0.014 0.000 2.123 117 Q HA -0.021 4.319 4.340 -0.000 0.000 0.199 117 Q C 2.292 178.236 176.000 -0.094 0.000 0.966 117 Q CA 1.147 56.976 55.803 0.042 0.000 0.845 117 Q CB -0.500 28.294 28.738 0.094 0.000 0.907 117 Q HN 0.752 nan 8.270 nan 0.000 0.439 118 R N 1.041 121.485 120.500 -0.093 0.000 2.081 118 R HA -0.139 4.200 4.340 -0.000 0.000 0.235 118 R C 1.809 178.002 176.300 -0.178 0.000 1.131 118 R CA 1.443 57.455 56.100 -0.146 0.000 0.960 118 R CB 0.163 30.412 30.300 -0.086 0.000 0.856 118 R HN 0.325 nan 8.270 nan 0.000 0.436 119 E N 0.535 120.659 120.200 -0.127 0.000 2.046 119 E HA -0.171 4.179 4.350 -0.000 0.000 0.190 119 E C 2.128 178.609 176.600 -0.198 0.000 0.982 119 E CA 0.846 57.165 56.400 -0.134 0.000 0.800 119 E CB -0.162 29.487 29.700 -0.086 0.000 0.756 119 E HN 0.286 nan 8.360 nan 0.000 0.449 120 L N 1.341 122.464 121.223 -0.167 0.000 2.079 120 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 120 L C 2.549 179.295 176.870 -0.207 0.000 1.081 120 L CA 1.431 56.197 54.840 -0.123 0.000 0.752 120 L CB -0.112 41.985 42.059 0.063 0.000 0.896 120 L HN 0.226 nan 8.230 nan 0.000 0.433 121 E N -0.430 119.447 120.200 -0.538 0.000 2.072 121 E HA -0.297 4.053 4.350 -0.000 0.000 0.191 121 E C 1.964 178.271 176.600 -0.488 0.000 0.985 121 E CA 1.225 57.016 56.400 -1.015 0.000 0.801 121 E CB 0.125 29.026 29.700 -1.332 0.000 0.750 121 E HN 0.343 nan 8.360 nan 0.000 0.452 122 E N 0.522 120.526 120.200 -0.327 0.000 2.110 122 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 122 E C 1.910 178.432 176.600 -0.131 0.000 0.988 122 E CA 0.614 56.899 56.400 -0.192 0.000 0.804 122 E CB -0.247 29.370 29.700 -0.137 0.000 0.745 122 E HN 0.249 nan 8.360 nan 0.000 0.458 123 L N -0.106 121.012 121.223 -0.175 0.000 2.072 123 L HA -0.019 4.321 4.340 -0.000 0.000 0.205 123 L C 2.124 178.974 176.870 -0.033 0.000 1.079 123 L CA 1.829 56.554 54.840 -0.193 0.000 0.752 123 L CB -0.889 40.885 42.059 -0.474 0.000 0.906 123 L HN 0.013 nan 8.230 nan 0.000 0.436 124 S N -0.315 115.423 115.700 0.064 0.000 2.368 124 S HA -0.158 4.312 4.470 -0.000 0.000 0.225 124 S C 2.042 176.774 174.600 0.219 0.000 1.030 124 S CA 1.406 59.779 58.200 0.289 0.000 0.999 124 S CB -0.284 63.170 63.200 0.423 0.000 0.844 124 S HN 0.448 nan 8.310 nan 0.000 0.459 125 R N 0.385 120.936 120.500 0.086 0.000 2.090 125 R HA 0.004 4.344 4.340 -0.000 0.000 0.228 125 R C 2.630 178.982 176.300 0.087 0.000 1.110 125 R CA 1.040 57.179 56.100 0.066 0.000 0.973 125 R CB -0.595 29.695 30.300 -0.018 0.000 0.869 125 R HN 0.464 nan 8.270 nan 0.000 0.440 126 G N -0.231 108.617 108.800 0.079 0.000 2.422 126 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 126 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 126 G C 1.162 176.153 174.900 0.151 0.000 1.140 126 G CA 0.363 45.516 45.100 0.089 0.000 0.775 126 G HN 0.308 nan 8.290 nan 0.000 0.545 127 Y N 1.933 122.275 120.300 0.071 0.000 2.184 127 Y HA 0.130 4.680 4.550 -0.000 0.000 0.290 127 Y C 2.849 178.837 175.900 0.147 0.000 1.129 127 Y CA 1.143 59.308 58.100 0.108 0.000 1.144 127 Y CB -0.446 38.107 38.460 0.155 0.000 0.995 127 Y HN 0.217 nan 8.280 nan 0.000 0.513 128 A N 0.372 123.279 122.820 0.144 0.000 1.972 128 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 128 A C 2.357 180.007 177.584 0.108 0.000 1.169 128 A CA 1.749 53.862 52.037 0.126 0.000 0.635 128 A CB -0.733 18.374 19.000 0.178 0.000 0.810 128 A HN 0.542 nan 8.150 nan 0.000 0.446 129 R N -0.635 119.915 120.500 0.083 0.000 2.093 129 R HA 0.053 4.393 4.340 -0.000 0.000 0.224 129 R C 2.268 178.587 176.300 0.032 0.000 1.101 129 R CA 1.192 57.329 56.100 0.063 0.000 0.979 129 R CB -0.337 29.994 30.300 0.051 0.000 0.877 129 R HN 0.409 nan 8.270 nan 0.000 0.441 130 A N 1.617 124.443 122.820 0.011 0.000 1.898 130 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 130 A C 2.082 179.646 177.584 -0.034 0.000 1.181 130 A CA 1.553 53.590 52.037 0.001 0.000 0.620 130 A CB -0.588 18.428 19.000 0.027 0.000 0.819 130 A HN 0.581 nan 8.150 nan 0.000 0.442 131 I N -3.781 116.719 120.570 -0.117 0.000 3.578 131 I HA 0.287 4.457 4.170 -0.000 0.000 0.295 131 I C 2.091 178.201 176.117 -0.011 0.000 1.280 131 I CA 0.818 62.052 61.300 -0.109 0.000 1.347 131 I CB -0.428 37.413 38.000 -0.264 0.000 1.051 131 I HN 0.174 nan 8.210 nan 0.000 0.460 132 A N 3.486 126.339 122.820 0.055 0.000 1.929 132 A HA -0.196 4.124 4.320 -0.000 0.000 0.221 132 A C 0.467 178.140 177.584 0.148 0.000 1.211 132 A CA 2.577 54.721 52.037 0.178 0.000 0.657 132 A CB -2.390 16.683 19.000 0.121 0.000 0.827 132 A HN 0.529 nan 8.150 nan 0.000 0.462 133 P HA -0.067 nan 4.420 nan 0.000 0.223 133 P C 0.546 177.886 177.300 0.066 0.000 1.144 133 P CA 0.907 64.044 63.100 0.062 0.000 0.783 133 P CB -0.023 31.699 31.700 0.037 0.000 0.771 134 L N -0.494 120.760 121.223 0.052 0.000 3.066 134 L HA 0.353 4.693 4.340 -0.000 0.000 0.265 134 L C 0.884 177.769 176.870 0.025 0.000 1.232 134 L CA -0.332 54.529 54.840 0.034 0.000 1.031 134 L CB -0.163 41.894 42.059 -0.005 0.000 1.379 134 L HN -0.017 nan 8.230 nan 0.000 0.563 135 I N -4.387 116.216 120.570 0.054 0.000 3.509 135 I HA 1.031 5.201 4.170 -0.000 0.000 0.311 135 I C -0.092 176.048 176.117 0.038 0.000 1.178 135 I CA -0.913 60.383 61.300 -0.006 0.000 0.963 135 I CB 2.042 39.970 38.000 -0.121 0.000 1.352 135 I HN -0.053 nan 8.210 nan 0.000 0.482 136 G N 1.360 110.107 108.800 -0.088 0.000 2.321 136 G HA2 0.093 4.053 3.960 -0.000 0.000 0.339 136 G HA3 0.093 4.053 3.960 -0.000 0.000 0.339 136 G C -0.534 174.365 174.900 -0.001 0.000 1.518 136 G CA -0.007 45.078 45.100 -0.026 0.000 0.994 136 G HN 1.088 nan 8.290 nan 0.000 0.668 137 D N -1.180 119.258 120.400 0.063 0.000 2.393 137 D HA -0.135 4.505 4.640 -0.000 0.000 0.220 137 D C 1.936 178.479 176.300 0.405 0.000 0.974 137 D CA 2.271 56.407 54.000 0.226 0.000 0.931 137 D CB -0.109 40.788 40.800 0.161 0.000 0.889 137 D HN 1.245 nan 8.370 nan 0.000 0.512 138 V N -3.439 116.633 119.914 0.264 0.000 3.398 138 V HA 0.281 4.401 4.120 -0.000 0.000 0.298 138 V C 1.527 177.729 176.094 0.179 0.000 1.496 138 V CA 0.163 62.638 62.300 0.291 0.000 1.044 138 V CB 0.081 32.032 31.823 0.213 0.000 0.880 138 V HN 0.190 nan 8.190 nan 0.000 0.443 139 V N -0.152 119.840 119.914 0.130 0.000 2.735 139 V HA 0.490 4.610 4.120 -0.000 0.000 0.234 139 V C -0.022 176.153 176.094 0.135 0.000 1.121 139 V CA 1.622 63.998 62.300 0.125 0.000 1.160 139 V CB 1.140 33.044 31.823 0.135 0.000 0.908 139 V HN 0.539 nan 8.190 nan 0.000 0.495 140 D N -0.262 120.162 120.400 0.039 0.000 2.736 140 D HA 0.410 5.049 4.640 -0.000 0.000 0.243 140 D C -1.283 174.870 176.300 -0.244 0.000 1.304 140 D CA -0.257 53.719 54.000 -0.039 0.000 0.934 140 D CB 1.248 42.031 40.800 -0.030 0.000 1.382 140 D HN 0.340 nan 8.370 nan 0.000 0.571 141 I N 5.615 125.975 120.570 -0.351 0.000 2.361 141 I HA 0.326 4.496 4.170 -0.000 0.000 0.282 141 I C -2.116 173.699 176.117 -0.504 0.000 1.075 141 I CA -1.741 59.268 61.300 -0.485 0.000 1.205 141 I CB 1.227 38.908 38.000 -0.530 0.000 1.406 141 I HN 0.125 nan 8.210 nan 0.000 0.481 142 P HA 0.393 nan 4.420 nan 0.000 0.274 142 P C -0.498 176.661 177.300 -0.235 0.000 1.264 142 P CA -0.273 62.582 63.100 -0.408 0.000 0.795 142 P CB 0.746 32.202 31.700 -0.408 0.000 1.064 143 A N -0.671 122.124 122.820 -0.041 0.000 2.564 143 A HA 0.679 4.999 4.320 -0.000 0.000 0.291 143 A C -2.903 174.687 177.584 0.010 0.000 1.102 143 A CA -1.250 50.792 52.037 0.009 0.000 0.660 143 A CB 0.609 19.572 19.000 -0.062 0.000 1.283 143 A HN 0.309 nan 8.150 nan 0.000 0.430 144 P HA 0.428 nan 4.420 nan 0.000 0.274 144 P C -0.889 176.369 177.300 -0.070 0.000 1.256 144 P CA 0.447 63.502 63.100 -0.074 0.000 0.795 144 P CB 1.405 33.055 31.700 -0.083 0.000 1.038 145 D N -1.646 118.698 120.400 -0.094 0.000 4.052 145 D HA -0.001 4.639 4.640 -0.000 0.000 0.347 145 D C 1.418 177.686 176.300 -0.053 0.000 1.574 145 D CA -0.045 53.920 54.000 -0.058 0.000 0.972 145 D CB 0.580 41.353 40.800 -0.045 0.000 1.472 145 D HN 0.096 nan 8.370 nan 0.000 0.623 146 V N 0.250 120.152 119.914 -0.020 0.000 2.217 146 V HA -0.012 4.108 4.120 -0.000 0.000 0.248 146 V C 1.766 177.869 176.094 0.015 0.000 1.050 146 V CA 2.482 64.792 62.300 0.017 0.000 1.007 146 V CB -1.517 30.346 31.823 0.067 0.000 0.639 146 V HN 0.572 nan 8.190 nan 0.000 0.452 147 G N 0.904 109.725 108.800 0.036 0.000 3.262 147 G HA2 0.373 4.332 3.960 -0.000 0.000 0.228 147 G HA3 0.373 4.332 3.960 -0.000 0.000 0.228 147 G C 0.488 175.337 174.900 -0.086 0.000 1.197 147 G CA 0.680 45.814 45.100 0.056 0.000 0.819 147 G HN 0.980 nan 8.290 nan 0.000 0.531 148 T N -2.016 112.404 114.554 -0.224 0.000 2.888 148 T HA 0.704 5.054 4.350 -0.000 0.000 0.288 148 T C -0.494 174.083 174.700 -0.206 0.000 1.063 148 T CA -0.787 61.103 62.100 -0.350 0.000 1.010 148 T CB 2.615 71.143 68.868 -0.567 0.000 1.214 148 T HN 0.295 nan 8.240 nan 0.000 0.533 149 N N -1.008 117.562 118.700 -0.217 0.000 3.378 149 N HA 0.530 5.270 4.740 -0.000 0.000 0.294 149 N C 1.014 176.404 175.510 -0.200 0.000 1.544 149 N CA -0.402 52.546 53.050 -0.170 0.000 0.872 149 N CB 0.446 38.844 38.487 -0.148 0.000 1.670 149 N HN 0.779 nan 8.380 nan 0.000 0.551 150 A N -0.562 122.151 122.820 -0.178 0.000 1.940 150 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 150 A C 1.959 179.364 177.584 -0.299 0.000 1.176 150 A CA 2.476 54.397 52.037 -0.193 0.000 0.631 150 A CB -1.093 17.813 19.000 -0.157 0.000 0.814 150 A HN 0.754 nan 8.150 nan 0.000 0.446 151 Q N 0.268 119.841 119.800 -0.378 0.000 2.061 151 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 151 Q C 1.732 177.189 176.000 -0.906 0.000 0.984 151 Q CA 2.186 57.606 55.803 -0.639 0.000 0.846 151 Q CB -0.506 27.848 28.738 -0.641 0.000 0.902 151 Q HN 0.683 nan 8.270 nan 0.000 0.421 152 I N -0.441 119.751 120.570 -0.630 0.000 2.179 152 I HA -0.286 3.883 4.170 -0.000 0.000 0.242 152 I C 2.095 178.051 176.117 -0.269 0.000 1.088 152 I CA 0.971 62.050 61.300 -0.369 0.000 1.357 152 I CB -0.312 37.559 38.000 -0.217 0.000 1.051 152 I HN 0.325 nan 8.210 nan 0.000 0.409 153 M N 0.428 119.856 119.600 -0.287 0.000 2.080 153 M HA -0.213 4.267 4.480 -0.000 0.000 0.260 153 M C 2.663 178.784 176.300 -0.299 0.000 1.068 153 M CA 2.095 57.220 55.300 -0.291 0.000 1.109 153 M CB -1.556 30.975 32.600 -0.115 0.000 1.342 153 M HN 0.322 nan 8.290 nan 0.000 0.405 154 A N 0.139 122.797 122.820 -0.269 0.000 1.884 154 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 154 A C 1.960 179.493 177.584 -0.084 0.000 1.197 154 A CA 1.834 53.747 52.037 -0.207 0.000 0.637 154 A CB -1.231 17.588 19.000 -0.302 0.000 0.827 154 A HN 0.621 nan 8.150 nan 0.000 0.450 155 W N -0.443 120.778 121.300 -0.133 0.000 2.342 155 W HA -0.122 4.538 4.660 -0.000 0.000 0.297 155 W C 2.465 178.897 176.519 -0.145 0.000 1.213 155 W CA 1.167 58.450 57.345 -0.104 0.000 1.251 155 W CB -1.020 28.396 29.460 -0.073 0.000 1.136 155 W HN 0.350 nan 8.180 nan 0.000 0.526 156 M N -0.548 118.998 119.600 -0.089 0.000 2.200 156 M HA -0.139 4.341 4.480 -0.000 0.000 0.265 156 M C 1.896 178.034 176.300 -0.272 0.000 1.066 156 M CA 1.145 56.245 55.300 -0.333 0.000 1.127 156 M CB -1.033 30.988 32.600 -0.964 0.000 1.379 156 M HN -0.256 nan 8.290 nan 0.000 0.420 157 V N 0.692 120.454 119.914 -0.254 0.000 2.407 157 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 157 V C 1.821 178.030 176.094 0.191 0.000 1.055 157 V CA 2.294 64.637 62.300 0.072 0.000 1.049 157 V CB -0.832 31.087 31.823 0.161 0.000 0.662 157 V HN 0.464 nan 8.190 nan 0.000 0.455 158 D N -0.072 120.416 120.400 0.146 0.000 2.097 158 D HA -0.209 4.431 4.640 -0.000 0.000 0.197 158 D C 2.118 178.504 176.300 0.142 0.000 0.984 158 D CA 1.222 55.320 54.000 0.165 0.000 0.826 158 D CB -0.053 40.837 40.800 0.149 0.000 0.973 158 D HN 0.362 nan 8.370 nan 0.000 0.460 159 E N -0.962 119.311 120.200 0.123 0.000 2.118 159 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 159 E C 1.750 178.425 176.600 0.124 0.000 0.992 159 E CA 1.064 57.524 56.400 0.101 0.000 0.804 159 E CB -0.506 29.247 29.700 0.088 0.000 0.741 159 E HN 0.554 nan 8.360 nan 0.000 0.458 160 Y N -0.054 120.280 120.300 0.056 0.000 2.220 160 Y HA -0.077 4.473 4.550 -0.000 0.000 0.291 160 Y C 2.321 178.225 175.900 0.007 0.000 1.129 160 Y CA 1.742 59.879 58.100 0.062 0.000 1.161 160 Y CB -0.186 38.360 38.460 0.144 0.000 0.997 160 Y HN -0.003 nan 8.280 nan 0.000 0.522 161 S N 0.538 116.347 115.700 0.182 0.000 2.423 161 S HA -0.161 4.309 4.470 -0.000 0.000 0.231 161 S C 1.691 176.271 174.600 -0.034 0.000 1.014 161 S CA 1.447 59.674 58.200 0.044 0.000 0.965 161 S CB -0.321 62.970 63.200 0.150 0.000 0.785 161 S HN 0.591 nan 8.310 nan 0.000 0.495 162 K N 0.724 121.124 120.400 -0.001 0.000 2.444 162 K HA 0.209 4.529 4.320 -0.000 0.000 0.193 162 K C 1.345 177.913 176.600 -0.053 0.000 1.024 162 K CA 0.496 56.779 56.287 -0.007 0.000 1.077 162 K CB -0.110 32.403 32.500 0.022 0.000 0.833 162 K HN 0.338 nan 8.250 nan 0.000 0.517 163 I N 0.680 121.171 120.570 -0.133 0.000 3.081 163 I HA -0.041 4.129 4.170 -0.000 0.000 0.274 163 I C 1.858 177.852 176.117 -0.203 0.000 1.178 163 I CA 0.221 61.418 61.300 -0.172 0.000 1.460 163 I CB 0.213 38.058 38.000 -0.258 0.000 1.137 163 I HN 0.016 nan 8.210 nan 0.000 0.443 164 K N 0.757 120.971 120.400 -0.310 0.000 2.243 164 K HA 0.137 4.457 4.320 -0.000 0.000 0.201 164 K C 1.385 177.953 176.600 -0.054 0.000 1.051 164 K CA 1.038 57.160 56.287 -0.274 0.000 0.970 164 K CB 0.095 32.231 32.500 -0.606 0.000 0.755 164 K HN 0.409 nan 8.250 nan 0.000 0.465 165 G N 0.962 109.732 108.800 -0.049 0.000 2.176 165 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.232 165 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.232 165 G C -0.086 174.959 174.900 0.242 0.000 0.986 165 G CA 0.590 45.757 45.100 0.112 0.000 0.643 165 G HN 0.350 nan 8.290 nan 0.000 0.522 166 Y N -1.577 118.761 120.300 0.064 0.000 2.705 166 Y HA 0.693 5.243 4.550 -0.000 0.000 0.332 166 Y C -0.538 175.446 175.900 0.141 0.000 1.221 166 Y CA -1.925 56.228 58.100 0.088 0.000 1.059 166 Y CB 0.014 38.516 38.460 0.070 0.000 1.298 166 Y HN 0.005 nan 8.280 nan 0.000 0.459 167 N N 0.131 118.987 118.700 0.260 0.000 2.458 167 N HA 0.478 5.218 4.740 -0.000 0.000 0.270 167 N C -1.339 174.263 175.510 0.154 0.000 1.102 167 N CA -0.518 52.656 53.050 0.208 0.000 0.967 167 N CB 1.618 40.282 38.487 0.294 0.000 1.078 167 N HN 0.523 nan 8.380 nan 0.000 0.471 168 V N 3.886 123.814 119.914 0.022 0.000 2.260 168 V HA 0.213 4.333 4.120 -0.000 0.000 0.263 168 V C -1.365 174.673 176.094 -0.094 0.000 1.036 168 V CA -1.044 61.262 62.300 0.011 0.000 0.874 168 V CB 0.939 32.831 31.823 0.115 0.000 1.116 168 V HN 0.727 nan 8.190 nan 0.000 0.454 169 P HA -0.087 nan 4.420 nan 0.000 0.218 169 P C 1.331 178.523 177.300 -0.179 0.000 1.149 169 P CA 1.297 64.145 63.100 -0.420 0.000 0.817 169 P CB 0.409 31.384 31.700 -1.209 0.000 0.785 170 G N 0.155 108.815 108.800 -0.234 0.000 3.279 170 G HA2 0.060 4.020 3.960 -0.000 0.000 0.230 170 G HA3 0.060 4.020 3.960 -0.000 0.000 0.230 170 G C 1.188 176.143 174.900 0.092 0.000 1.230 170 G CA -0.107 44.968 45.100 -0.041 0.000 0.891 170 G HN 0.271 nan 8.290 nan 0.000 0.518 171 V N -0.863 119.045 119.914 -0.010 0.000 3.125 171 V HA 0.493 4.613 4.120 -0.000 0.000 0.249 171 V C -0.087 175.799 176.094 -0.347 0.000 1.113 171 V CA 0.473 62.659 62.300 -0.190 0.000 1.106 171 V CB -0.166 31.425 31.823 -0.387 0.000 0.768 171 V HN 0.130 nan 8.190 nan 0.000 0.468 172 F N 0.159 120.068 119.950 -0.068 0.000 2.565 172 F HA 0.598 5.125 4.527 -0.000 0.000 0.313 172 F C 0.397 176.183 175.800 -0.022 0.000 1.091 172 F CA -0.323 57.643 58.000 -0.057 0.000 0.915 172 F CB 2.061 41.036 39.000 -0.042 0.000 1.208 172 F HN -0.016 nan 8.300 nan 0.000 0.453 173 T N -1.926 112.690 114.554 0.104 0.000 2.938 173 T HA 0.510 4.860 4.350 -0.000 0.000 0.285 173 T C 0.338 175.066 174.700 0.046 0.000 1.028 173 T CA -0.404 61.734 62.100 0.064 0.000 1.005 173 T CB 1.509 70.391 68.868 0.023 0.000 1.157 173 T HN 0.766 nan 8.240 nan 0.000 0.550 174 S N 0.268 115.975 115.700 0.011 0.000 3.672 174 S HA -0.141 4.329 4.470 -0.000 0.000 0.319 174 S C 0.207 174.786 174.600 -0.035 0.000 1.151 174 S CA 0.984 59.171 58.200 -0.021 0.000 0.911 174 S CB -1.769 61.416 63.200 -0.025 0.000 0.939 174 S HN 1.067 nan 8.310 nan 0.000 0.524 175 K N -0.196 120.193 120.400 -0.020 0.000 2.098 175 K HA 0.613 4.933 4.320 -0.000 0.000 0.257 175 K C -2.745 173.805 176.600 -0.084 0.000 0.999 175 K CA -2.223 54.034 56.287 -0.049 0.000 0.924 175 K CB -0.048 32.454 32.500 0.003 0.000 1.028 175 K HN -0.029 nan 8.250 nan 0.000 0.466 176 P HA -0.085 nan 4.420 nan 0.000 0.264 176 P C -2.161 175.060 177.300 -0.131 0.000 1.173 176 P CA -0.603 62.413 63.100 -0.141 0.000 0.761 176 P CB -0.008 31.585 31.700 -0.179 0.000 0.794 177 P HA -0.165 nan 4.420 nan 0.000 0.217 177 P C 0.791 178.017 177.300 -0.124 0.000 1.150 177 P CA 1.476 64.515 63.100 -0.101 0.000 0.832 177 P CB -0.026 31.624 31.700 -0.082 0.000 0.787 178 E N -1.156 118.954 120.200 -0.150 0.000 2.418 178 E HA -0.005 4.345 4.350 -0.000 0.000 0.197 178 E C 0.811 177.217 176.600 -0.322 0.000 1.026 178 E CA 0.477 56.767 56.400 -0.184 0.000 0.862 178 E CB -0.375 29.230 29.700 -0.159 0.000 0.799 178 E HN 0.167 nan 8.360 nan 0.000 0.518 179 L N 0.663 121.667 121.223 -0.364 0.000 2.784 179 L HA 0.129 4.469 4.340 -0.000 0.000 0.241 179 L C -0.751 175.865 176.870 -0.423 0.000 1.352 179 L CA -0.096 54.355 54.840 -0.648 0.000 0.911 179 L CB -0.272 41.502 42.059 -0.475 0.000 1.227 179 L HN 0.415 nan 8.230 nan 0.000 0.501 180 W N -0.103 121.168 121.300 -0.048 0.000 4.849 180 W HA -0.224 4.436 4.660 -0.000 0.000 0.358 180 W C 0.663 177.106 176.519 -0.128 0.000 1.331 180 W CA 0.745 58.034 57.345 -0.094 0.000 0.844 180 W CB -2.310 27.066 29.460 -0.141 0.000 2.434 180 W HN 0.464 nan 8.180 nan 0.000 1.458 181 G N 0.286 109.094 108.800 0.013 0.000 2.583 181 G HA2 0.539 4.499 3.960 -0.000 0.000 0.280 181 G HA3 0.539 4.499 3.960 -0.000 0.000 0.280 181 G C -0.393 174.464 174.900 -0.073 0.000 1.376 181 G CA -0.424 44.655 45.100 -0.035 0.000 1.043 181 G HN 0.059 nan 8.290 nan 0.000 0.538 182 N N -0.816 117.829 118.700 -0.093 0.000 2.397 182 N HA 0.339 5.079 4.740 -0.000 0.000 0.291 182 N C -2.059 173.380 175.510 -0.118 0.000 1.065 182 N CA -1.563 51.420 53.050 -0.111 0.000 0.884 182 N CB 2.523 40.927 38.487 -0.139 0.000 1.551 182 N HN -0.073 nan 8.380 nan 0.000 0.487 183 P HA -0.138 nan 4.420 nan 0.000 0.215 183 P C 1.348 178.544 177.300 -0.174 0.000 1.157 183 P CA 0.964 64.008 63.100 -0.094 0.000 0.874 183 P CB 0.420 32.096 31.700 -0.039 0.000 0.790 184 V N 0.303 120.069 119.914 -0.247 0.000 2.636 184 V HA -0.293 3.827 4.120 -0.000 0.000 0.258 184 V C 2.519 178.185 176.094 -0.712 0.000 1.092 184 V CA 1.691 63.622 62.300 -0.615 0.000 1.110 184 V CB -1.195 30.340 31.823 -0.480 0.000 0.685 184 V HN 0.185 nan 8.190 nan 0.000 0.481 185 R N 0.458 120.733 120.500 -0.374 0.000 2.159 185 R HA -0.246 4.094 4.340 -0.000 0.000 0.237 185 R C 2.256 178.384 176.300 -0.288 0.000 1.131 185 R CA 2.015 57.950 56.100 -0.276 0.000 0.982 185 R CB -0.251 29.953 30.300 -0.159 0.000 0.868 185 R HN 0.738 nan 8.270 nan 0.000 0.453 186 E N 0.015 120.032 120.200 -0.305 0.000 2.118 186 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 186 E C 0.577 176.966 176.600 -0.351 0.000 0.992 186 E CA 1.640 57.901 56.400 -0.232 0.000 0.804 186 E CB -0.089 29.515 29.700 -0.160 0.000 0.741 186 E HN 0.665 nan 8.360 nan 0.000 0.458 187 Y N -3.568 116.402 120.300 -0.550 0.000 2.706 187 Y HA 0.655 5.204 4.550 -0.000 0.000 0.255 187 Y C 1.259 177.102 175.900 -0.096 0.000 1.163 187 Y CA -0.156 57.627 58.100 -0.528 0.000 1.174 187 Y CB -0.253 37.709 38.460 -0.830 0.000 1.200 187 Y HN 0.016 nan 8.280 nan 0.000 0.544 188 A N 1.238 123.863 122.820 -0.324 0.000 1.849 188 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 188 A C 2.202 179.821 177.584 0.057 0.000 1.202 188 A CA 2.879 54.812 52.037 -0.173 0.000 0.629 188 A CB -1.314 17.589 19.000 -0.161 0.000 0.834 188 A HN 0.496 nan 8.150 nan 0.000 0.447 189 T N -0.195 114.402 114.554 0.071 0.000 2.665 189 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 189 T C 1.950 176.750 174.700 0.168 0.000 1.035 189 T CA 1.817 63.983 62.100 0.109 0.000 1.151 189 T CB -0.889 68.041 68.868 0.104 0.000 0.862 189 T HN 0.649 nan 8.240 nan 0.000 0.438 190 G N 0.414 109.376 108.800 0.270 0.000 2.422 190 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 190 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 190 G C 1.369 176.491 174.900 0.370 0.000 1.146 190 G CA 0.527 45.845 45.100 0.364 0.000 0.769 190 G HN 0.487 nan 8.290 nan 0.000 0.547 191 F N 2.364 122.436 119.950 0.204 0.000 2.186 191 F HA 0.097 4.623 4.527 -0.000 0.000 0.299 191 F C 2.488 178.277 175.800 -0.018 0.000 1.090 191 F CA 1.435 59.433 58.000 -0.004 0.000 1.307 191 F CB -0.361 38.478 39.000 -0.269 0.000 1.019 191 F HN 0.098 nan 8.300 nan 0.000 0.489 192 G N -0.196 108.602 108.800 -0.002 0.000 2.408 192 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 192 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 192 G C 1.731 176.579 174.900 -0.087 0.000 1.150 192 G CA 1.016 46.063 45.100 -0.088 0.000 0.776 192 G HN 0.318 nan 8.290 nan 0.000 0.542 193 V N 1.538 121.449 119.914 -0.004 0.000 2.343 193 V HA -0.121 3.999 4.120 -0.000 0.000 0.247 193 V C 3.304 179.387 176.094 -0.017 0.000 1.051 193 V CA 1.960 64.264 62.300 0.007 0.000 1.036 193 V CB -0.737 31.117 31.823 0.052 0.000 0.654 193 V HN 0.461 nan 8.190 nan 0.000 0.451 194 A N -0.354 122.458 122.820 -0.014 0.000 1.902 194 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 194 A C 2.379 179.892 177.584 -0.119 0.000 1.181 194 A CA 1.973 54.005 52.037 -0.008 0.000 0.623 194 A CB -0.594 18.468 19.000 0.103 0.000 0.818 194 A HN 0.337 nan 8.150 nan 0.000 0.443 195 V N -0.252 119.487 119.914 -0.292 0.000 2.427 195 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 195 V C 3.033 179.039 176.094 -0.146 0.000 1.051 195 V CA 1.742 63.866 62.300 -0.295 0.000 1.048 195 V CB -1.119 30.425 31.823 -0.465 0.000 0.666 195 V HN 0.615 nan 8.190 nan 0.000 0.456 196 A N -0.293 122.460 122.820 -0.111 0.000 1.858 196 A HA -0.284 4.036 4.320 -0.000 0.000 0.216 196 A C 2.512 180.063 177.584 -0.056 0.000 1.190 196 A CA 2.724 54.721 52.037 -0.068 0.000 0.617 196 A CB -1.143 17.829 19.000 -0.045 0.000 0.827 196 A HN 0.479 nan 8.150 nan 0.000 0.443 197 T N -1.174 113.358 114.554 -0.037 0.000 2.746 197 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 197 T C 2.090 176.787 174.700 -0.005 0.000 1.039 197 T CA 1.752 63.844 62.100 -0.014 0.000 1.142 197 T CB -0.368 68.513 68.868 0.022 0.000 0.866 197 T HN 0.508 nan 8.240 nan 0.000 0.444 198 R N -0.001 120.497 120.500 -0.004 0.000 2.120 198 R HA -0.073 4.267 4.340 -0.000 0.000 0.234 198 R C 2.230 178.521 176.300 -0.015 0.000 1.123 198 R CA 1.462 57.571 56.100 0.015 0.000 0.975 198 R CB -0.109 30.194 30.300 0.006 0.000 0.866 198 R HN 0.428 nan 8.270 nan 0.000 0.446 199 E N 0.100 120.269 120.200 -0.052 0.000 2.158 199 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 199 E C 1.736 178.256 176.600 -0.133 0.000 0.982 199 E CA 0.756 57.109 56.400 -0.079 0.000 0.823 199 E CB -0.078 29.575 29.700 -0.078 0.000 0.766 199 E HN 0.215 nan 8.360 nan 0.000 0.468 200 M N 0.741 120.260 119.600 -0.135 0.000 2.254 200 M HA 0.012 4.492 4.480 -0.000 0.000 0.265 200 M C 1.930 178.058 176.300 -0.285 0.000 1.066 200 M CA 1.013 56.193 55.300 -0.200 0.000 1.123 200 M CB -0.364 32.148 32.600 -0.146 0.000 1.388 200 M HN 0.039 nan 8.290 nan 0.000 0.425 201 A N 0.122 122.815 122.820 -0.213 0.000 1.845 201 A HA -0.225 4.094 4.320 -0.000 0.000 0.215 201 A C 2.130 179.623 177.584 -0.151 0.000 1.195 201 A CA 2.126 54.017 52.037 -0.244 0.000 0.616 201 A CB -0.710 18.405 19.000 0.192 0.000 0.832 201 A HN 0.540 nan 8.150 nan 0.000 0.443 202 K N -0.428 119.942 120.400 -0.050 0.000 2.107 202 K HA -0.248 4.072 4.320 -0.000 0.000 0.211 202 K C 2.016 178.559 176.600 -0.094 0.000 1.049 202 K CA 2.068 58.337 56.287 -0.030 0.000 0.927 202 K CB -0.172 32.306 32.500 -0.036 0.000 0.714 202 K HN 0.268 nan 8.250 nan 0.000 0.452 203 K N 0.607 120.879 120.400 -0.214 0.000 2.062 203 K HA 0.001 4.321 4.320 -0.000 0.000 0.205 203 K C 1.930 178.425 176.600 -0.175 0.000 1.051 203 K CA 1.019 57.150 56.287 -0.260 0.000 0.941 203 K CB -0.079 32.047 32.500 -0.624 0.000 0.719 203 K HN 0.074 nan 8.250 nan 0.000 0.440 204 L N -1.399 119.640 121.223 -0.307 0.000 2.049 204 L HA -0.074 4.266 4.340 -0.000 0.000 0.203 204 L C 1.950 178.660 176.870 -0.266 0.000 1.074 204 L CA 0.940 55.545 54.840 -0.393 0.000 0.749 204 L CB -0.322 41.229 42.059 -0.846 0.000 0.907 204 L HN 0.251 nan 8.230 nan 0.000 0.439 205 W N -0.819 120.500 121.300 0.032 0.000 3.096 205 W HA 0.378 5.038 4.660 -0.000 0.000 0.271 205 W C 1.469 177.998 176.519 0.017 0.000 0.983 205 W CA 0.904 58.264 57.345 0.026 0.000 1.978 205 W CB -0.718 28.756 29.460 0.024 0.000 1.175 205 W HN 0.174 nan 8.180 nan 0.000 0.559 206 G N -0.692 108.273 108.800 0.275 0.000 4.106 206 G HA2 0.325 4.285 3.960 -0.000 0.000 0.220 206 G HA3 0.325 4.285 3.960 -0.000 0.000 0.220 206 G C 0.011 174.993 174.900 0.136 0.000 0.853 206 G CA -0.045 45.144 45.100 0.148 0.000 0.920 206 G HN 0.613 nan 8.290 nan 0.000 0.715 207 G N -0.797 108.124 108.800 0.202 0.000 2.384 207 G HA2 0.457 4.417 3.960 -0.000 0.000 0.300 207 G HA3 0.457 4.417 3.960 -0.000 0.000 0.300 207 G C 0.090 175.120 174.900 0.217 0.000 1.582 207 G CA -0.064 45.132 45.100 0.160 0.000 0.875 207 G HN 0.661 nan 8.290 nan 0.000 0.628 208 I N 0.124 120.795 120.570 0.168 0.000 3.226 208 I HA 0.111 4.281 4.170 -0.000 0.000 0.277 208 I C 0.798 176.961 176.117 0.077 0.000 1.243 208 I CA -0.031 61.371 61.300 0.169 0.000 1.459 208 I CB -0.031 38.057 38.000 0.147 0.000 1.093 208 I HN 0.531 nan 8.210 nan 0.000 0.453 209 E N 1.787 122.023 120.200 0.059 0.000 2.606 209 E HA 0.038 4.387 4.350 -0.000 0.000 0.248 209 E C 0.962 177.558 176.600 -0.007 0.000 1.005 209 E CA 0.905 57.320 56.400 0.025 0.000 0.946 209 E CB -0.009 29.707 29.700 0.027 0.000 0.928 209 E HN 0.523 nan 8.360 nan 0.000 0.494 210 G N 3.070 111.855 108.800 -0.025 0.000 2.308 210 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.221 210 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.221 210 G C 0.263 175.112 174.900 -0.086 0.000 1.032 210 G CA 0.082 45.150 45.100 -0.054 0.000 0.623 210 G HN 0.431 nan 8.290 nan 0.000 0.506 211 K N 2.414 122.751 120.400 -0.105 0.000 2.469 211 K HA 0.478 4.798 4.320 -0.000 0.000 0.274 211 K C 0.957 177.509 176.600 -0.081 0.000 0.983 211 K CA 0.871 57.060 56.287 -0.163 0.000 0.974 211 K CB 0.530 32.922 32.500 -0.180 0.000 0.913 211 K HN 0.559 nan 8.250 nan 0.000 0.493 212 T N -1.165 113.340 114.554 -0.081 0.000 2.845 212 T HA 0.576 4.926 4.350 -0.000 0.000 0.288 212 T C -0.158 174.554 174.700 0.021 0.000 0.980 212 T CA -0.961 61.126 62.100 -0.022 0.000 1.071 212 T CB 0.821 69.686 68.868 -0.005 0.000 0.941 212 T HN 0.098 nan 8.240 nan 0.000 0.487 213 V N 1.488 121.417 119.914 0.026 0.000 2.680 213 V HA 0.826 4.946 4.120 -0.000 0.000 0.309 213 V C -0.054 176.064 176.094 0.040 0.000 1.052 213 V CA -1.180 61.145 62.300 0.042 0.000 0.908 213 V CB 1.720 33.559 31.823 0.026 0.000 1.001 213 V HN 1.305 nan 8.190 nan 0.000 0.431 214 A N 4.979 127.836 122.820 0.062 0.000 2.332 214 A HA 0.915 5.235 4.320 -0.000 0.000 0.300 214 A C -1.021 176.523 177.584 -0.066 0.000 1.153 214 A CA -0.361 51.719 52.037 0.072 0.000 0.764 214 A CB 0.706 19.846 19.000 0.233 0.000 1.174 214 A HN 0.689 nan 8.150 nan 0.000 0.467 215 I N 0.720 121.227 120.570 -0.105 0.000 2.607 215 I HA 0.449 4.619 4.170 -0.000 0.000 0.305 215 I C 0.356 176.369 176.117 -0.173 0.000 0.995 215 I CA -0.364 60.818 61.300 -0.197 0.000 1.148 215 I CB 1.886 39.817 38.000 -0.116 0.000 1.323 215 I HN 0.686 nan 8.210 nan 0.000 0.461 216 Q N 3.500 123.164 119.800 -0.226 0.000 2.413 216 Q HA 0.572 4.912 4.340 -0.000 0.000 0.258 216 Q C -0.576 175.392 176.000 -0.053 0.000 1.037 216 Q CA -0.446 55.286 55.803 -0.118 0.000 0.764 216 Q CB 1.273 29.937 28.738 -0.122 0.000 1.217 216 Q HN 1.008 nan 8.270 nan 0.000 0.490 217 G N 4.039 112.829 108.800 -0.016 0.000 3.190 217 G HA2 -0.119 3.840 3.960 -0.000 0.000 0.686 217 G HA3 -0.119 3.840 3.960 -0.000 0.000 0.686 217 G C -0.259 174.643 174.900 0.005 0.000 1.033 217 G CA -0.702 44.403 45.100 0.008 0.000 0.797 217 G HN 0.539 nan 8.290 nan 0.000 0.567 218 M N 2.953 122.562 119.600 0.015 0.000 2.859 218 M HA 0.253 4.732 4.480 -0.000 0.000 0.297 218 M C 1.607 177.910 176.300 0.006 0.000 1.268 218 M CA 0.007 55.312 55.300 0.009 0.000 1.003 218 M CB -0.406 32.210 32.600 0.028 0.000 1.308 218 M HN 0.842 nan 8.290 nan 0.000 0.502 219 G N 1.144 109.960 108.800 0.028 0.000 2.597 219 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.194 219 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.194 219 G C 0.969 175.915 174.900 0.077 0.000 1.625 219 G CA -0.004 45.124 45.100 0.047 0.000 1.050 219 G HN 0.475 nan 8.290 nan 0.000 0.531 220 N N -1.050 117.729 118.700 0.133 0.000 2.376 220 N HA -0.061 4.679 4.740 -0.000 0.000 0.177 220 N C 2.107 177.811 175.510 0.324 0.000 1.024 220 N CA 0.909 54.111 53.050 0.253 0.000 0.893 220 N CB 0.192 38.808 38.487 0.216 0.000 0.980 220 N HN 0.187 nan 8.380 nan 0.000 0.439 221 V N 0.487 120.522 119.914 0.202 0.000 2.341 221 V HA 0.079 4.199 4.120 -0.000 0.000 0.240 221 V C 2.643 178.848 176.094 0.184 0.000 1.035 221 V CA 1.718 64.139 62.300 0.201 0.000 1.033 221 V CB -1.069 30.827 31.823 0.123 0.000 0.678 221 V HN 0.342 nan 8.190 nan 0.000 0.464 222 G N -0.124 108.736 108.800 0.100 0.000 2.446 222 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 222 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 222 G C 1.673 176.609 174.900 0.060 0.000 1.168 222 G CA 1.144 46.279 45.100 0.057 0.000 0.771 222 G HN 0.364 nan 8.290 nan 0.000 0.551 223 R N -0.466 120.038 120.500 0.007 0.000 2.122 223 R HA -0.182 4.158 4.340 -0.000 0.000 0.236 223 R C 2.362 178.578 176.300 -0.139 0.000 1.129 223 R CA 2.154 58.169 56.100 -0.143 0.000 0.925 223 R CB -0.509 29.594 30.300 -0.328 0.000 0.850 223 R HN 0.539 nan 8.270 nan 0.000 0.431 224 W N -0.206 121.219 121.300 0.208 0.000 2.699 224 W HA -0.005 4.654 4.660 -0.000 0.000 0.249 224 W C 2.171 178.952 176.519 0.436 0.000 1.280 224 W CA 0.719 58.259 57.345 0.326 0.000 1.345 224 W CB 0.050 29.750 29.460 0.400 0.000 1.128 224 W HN 0.183 nan 8.180 nan 0.000 0.642 225 T N -0.156 114.662 114.554 0.441 0.000 2.851 225 T HA -0.067 4.283 4.350 -0.000 0.000 0.262 225 T C 2.117 176.981 174.700 0.274 0.000 1.043 225 T CA 1.459 63.764 62.100 0.341 0.000 1.140 225 T CB -0.511 68.469 68.868 0.187 0.000 0.872 225 T HN 0.161 nan 8.240 nan 0.000 0.446 226 A N 0.618 123.546 122.820 0.179 0.000 1.898 226 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 226 A C 2.053 179.705 177.584 0.113 0.000 1.181 226 A CA 1.354 53.449 52.037 0.096 0.000 0.620 226 A CB -1.026 17.987 19.000 0.022 0.000 0.819 226 A HN 0.538 nan 8.150 nan 0.000 0.442 227 Y N -0.870 119.445 120.300 0.025 0.000 2.049 227 Y HA -0.292 4.257 4.550 -0.000 0.000 0.277 227 Y C 2.175 178.038 175.900 -0.063 0.000 1.143 227 Y CA 2.269 60.319 58.100 -0.083 0.000 1.115 227 Y CB -0.636 37.720 38.460 -0.174 0.000 0.975 227 Y HN 0.441 nan 8.280 nan 0.000 0.487 228 W N -0.708 120.871 121.300 0.464 0.000 2.425 228 W HA -0.135 4.525 4.660 -0.000 0.000 0.277 228 W C 2.173 178.787 176.519 0.158 0.000 1.231 228 W CA 0.543 58.104 57.345 0.359 0.000 1.248 228 W CB -0.582 29.181 29.460 0.504 0.000 1.117 228 W HN 0.152 nan 8.180 nan 0.000 0.568 229 L N 1.432 122.845 121.223 0.317 0.000 2.017 229 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 229 L C 2.460 179.388 176.870 0.096 0.000 1.073 229 L CA 2.594 57.540 54.840 0.176 0.000 0.745 229 L CB -1.313 40.821 42.059 0.125 0.000 0.894 229 L HN 0.166 nan 8.230 nan 0.000 0.432 230 E N -0.734 119.480 120.200 0.024 0.000 2.077 230 E HA -0.262 4.087 4.350 -0.000 0.000 0.193 230 E C 1.973 178.552 176.600 -0.035 0.000 0.989 230 E CA 1.535 57.910 56.400 -0.041 0.000 0.800 230 E CB -0.459 29.169 29.700 -0.121 0.000 0.746 230 E HN 0.169 nan 8.360 nan 0.000 0.452 231 K N -0.170 120.205 120.400 -0.042 0.000 2.360 231 K HA 0.024 4.344 4.320 -0.000 0.000 0.201 231 K C 1.490 178.151 176.600 0.102 0.000 1.046 231 K CA 1.464 57.756 56.287 0.009 0.000 0.940 231 K CB -0.100 32.438 32.500 0.063 0.000 0.748 231 K HN 0.379 nan 8.250 nan 0.000 0.465 232 M N -1.801 117.871 119.600 0.120 0.000 2.428 232 M HA 0.215 4.695 4.480 -0.000 0.000 0.239 232 M C 0.766 177.109 176.300 0.073 0.000 1.121 232 M CA 0.486 55.854 55.300 0.114 0.000 1.019 232 M CB 0.979 33.655 32.600 0.127 0.000 1.485 232 M HN 0.270 nan 8.290 nan 0.000 0.484 233 G N 0.402 109.230 108.800 0.047 0.000 2.201 233 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.212 233 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.212 233 G C 0.263 175.173 174.900 0.017 0.000 0.994 233 G CA -0.175 44.942 45.100 0.028 0.000 0.644 233 G HN 0.627 nan 8.290 nan 0.000 0.508 234 A N -0.142 122.694 122.820 0.027 0.000 2.366 234 A HA 0.699 5.019 4.320 -0.000 0.000 0.250 234 A C 0.508 178.084 177.584 -0.014 0.000 1.099 234 A CA 1.043 53.091 52.037 0.017 0.000 0.794 234 A CB 0.443 19.466 19.000 0.039 0.000 1.056 234 A HN 0.644 nan 8.150 nan 0.000 0.499 235 K N 0.852 121.239 120.400 -0.023 0.000 2.626 235 K HA 0.436 4.756 4.320 -0.000 0.000 0.223 235 K C -1.512 175.057 176.600 -0.052 0.000 0.992 235 K CA -0.360 55.900 56.287 -0.046 0.000 1.024 235 K CB 1.063 33.532 32.500 -0.051 0.000 1.225 235 K HN 0.413 nan 8.250 nan 0.000 0.498 236 V N 6.799 126.672 119.914 -0.068 0.000 2.409 236 V HA -0.008 4.112 4.120 -0.000 0.000 0.270 236 V C 1.276 177.293 176.094 -0.128 0.000 1.019 236 V CA 0.407 62.654 62.300 -0.089 0.000 1.066 236 V CB -0.328 31.425 31.823 -0.116 0.000 1.021 236 V HN 0.740 nan 8.190 nan 0.000 0.476 237 I N 1.987 122.506 120.570 -0.085 0.000 4.070 237 I HA 0.660 4.830 4.170 -0.000 0.000 0.328 237 I C 0.759 176.860 176.117 -0.027 0.000 1.298 237 I CA 0.144 61.379 61.300 -0.109 0.000 1.173 237 I CB 0.519 38.494 38.000 -0.041 0.000 1.051 237 I HN 0.503 nan 8.210 nan 0.000 0.409 238 A N 2.052 124.864 122.820 -0.013 0.000 2.442 238 A HA 0.661 4.981 4.320 -0.000 0.000 0.284 238 A C -0.743 176.803 177.584 -0.062 0.000 1.058 238 A CA -0.403 51.645 52.037 0.018 0.000 0.738 238 A CB 1.380 20.448 19.000 0.114 0.000 1.242 238 A HN 0.339 nan 8.150 nan 0.000 0.421 239 V N 0.995 120.839 119.914 -0.116 0.000 2.531 239 V HA 0.938 5.058 4.120 -0.000 0.000 0.301 239 V C -0.033 176.040 176.094 -0.035 0.000 1.034 239 V CA 0.120 62.349 62.300 -0.117 0.000 0.865 239 V CB 0.915 32.595 31.823 -0.238 0.000 0.995 239 V HN 1.504 nan 8.190 nan 0.000 0.424 240 S N 2.810 118.506 115.700 -0.006 0.000 2.798 240 S HA 0.930 5.400 4.470 -0.000 0.000 0.312 240 S C -0.815 173.811 174.600 0.044 0.000 1.122 240 S CA 0.130 58.353 58.200 0.037 0.000 0.949 240 S CB 2.253 65.472 63.200 0.032 0.000 1.235 240 S HN 1.185 nan 8.310 nan 0.000 0.552 241 D N -1.704 118.738 120.400 0.069 0.000 2.871 241 D HA 0.249 4.889 4.640 -0.000 0.000 0.330 241 D C 0.699 177.050 176.300 0.086 0.000 1.364 241 D CA -0.435 53.604 54.000 0.065 0.000 0.759 241 D CB -0.136 40.695 40.800 0.052 0.000 1.325 241 D HN 0.459 nan 8.370 nan 0.000 0.452 242 I N 0.818 121.433 120.570 0.075 0.000 2.423 242 I HA -0.190 3.980 4.170 -0.000 0.000 0.254 242 I C 1.884 178.064 176.117 0.104 0.000 1.151 242 I CA 1.122 62.470 61.300 0.081 0.000 1.421 242 I CB -0.543 37.495 38.000 0.062 0.000 1.079 242 I HN 0.398 nan 8.210 nan 0.000 0.431 243 N N 0.976 119.745 118.700 0.115 0.000 2.409 243 N HA 0.013 4.753 4.740 -0.000 0.000 0.179 243 N C 0.858 176.583 175.510 0.359 0.000 1.032 243 N CA 1.360 54.513 53.050 0.171 0.000 0.898 243 N CB 0.446 38.978 38.487 0.076 0.000 0.971 243 N HN 0.395 nan 8.380 nan 0.000 0.441 244 G N -0.780 108.221 108.800 0.335 0.000 2.403 244 G HA2 0.255 4.214 3.960 -0.000 0.000 0.223 244 G HA3 0.255 4.214 3.960 -0.000 0.000 0.223 244 G C -1.880 173.222 174.900 0.336 0.000 1.287 244 G CA -0.154 45.217 45.100 0.451 0.000 0.982 244 G HN 0.145 nan 8.290 nan 0.000 0.471 245 V N -0.439 119.707 119.914 0.388 0.000 3.141 245 V HA 0.939 5.059 4.120 -0.000 0.000 0.312 245 V C 0.007 176.287 176.094 0.310 0.000 1.157 245 V CA -0.297 62.148 62.300 0.242 0.000 1.041 245 V CB 1.742 33.642 31.823 0.128 0.000 1.071 245 V HN 2.281 nan 8.190 nan 0.000 0.441 246 A N 1.239 124.157 122.820 0.163 0.000 2.499 246 A HA 0.719 5.039 4.320 -0.000 0.000 0.280 246 A C -1.575 176.060 177.584 0.084 0.000 1.135 246 A CA -0.326 51.787 52.037 0.125 0.000 0.744 246 A CB 0.664 19.679 19.000 0.024 0.000 1.213 246 A HN 0.852 nan 8.150 nan 0.000 0.434 247 Y N 1.744 122.043 120.300 -0.002 0.000 2.488 247 Y HA 0.810 5.360 4.550 -0.000 0.000 0.325 247 Y C 0.336 176.217 175.900 -0.031 0.000 1.204 247 Y CA -1.014 57.069 58.100 -0.029 0.000 1.229 247 Y CB 1.383 39.837 38.460 -0.010 0.000 1.274 247 Y HN 0.718 nan 8.280 nan 0.000 0.493 248 R N 4.207 124.087 120.500 -1.034 0.000 2.906 248 R HA 0.077 4.417 4.340 -0.000 0.000 0.282 248 R C 0.149 175.979 176.300 -0.783 0.000 0.943 248 R CA -0.136 55.514 56.100 -0.749 0.000 0.889 248 R CB 0.101 30.205 30.300 -0.327 0.000 1.433 248 R HN 0.885 nan 8.270 nan 0.000 0.345 249 K N 1.547 121.396 120.400 -0.918 0.000 2.160 249 K HA -0.237 4.083 4.320 -0.000 0.000 0.206 249 K C 0.454 176.923 176.600 -0.219 0.000 1.047 249 K CA 2.311 58.358 56.287 -0.400 0.000 0.930 249 K CB 0.249 32.671 32.500 -0.129 0.000 0.720 249 K HN 0.506 nan 8.250 nan 0.000 0.450 250 E N -0.403 119.675 120.200 -0.203 0.000 2.058 250 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 250 E C 0.501 177.027 176.600 -0.123 0.000 0.997 250 E CA 1.356 57.679 56.400 -0.128 0.000 0.801 250 E CB -0.022 29.615 29.700 -0.105 0.000 0.746 250 E HN 0.540 nan 8.360 nan 0.000 0.450 251 G N -0.433 108.273 108.800 -0.158 0.000 3.162 251 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.599 251 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.599 251 G C -0.920 173.905 174.900 -0.125 0.000 1.335 251 G CA -0.964 44.054 45.100 -0.137 0.000 1.091 251 G HN 0.074 nan 8.290 nan 0.000 0.570 252 L N 1.509 122.635 121.223 -0.161 0.000 2.455 252 L HA 0.145 4.485 4.340 -0.000 0.000 0.272 252 L C 1.051 177.913 176.870 -0.012 0.000 1.174 252 L CA -0.541 54.219 54.840 -0.133 0.000 0.869 252 L CB 0.632 42.435 42.059 -0.426 0.000 1.130 252 L HN 0.658 nan 8.230 nan 0.000 0.474 253 N N 1.995 120.754 118.700 0.099 0.000 2.416 253 N HA 0.061 4.801 4.740 -0.000 0.000 0.265 253 N C 0.823 176.434 175.510 0.169 0.000 1.195 253 N CA -0.308 52.786 53.050 0.073 0.000 0.943 253 N CB 1.202 39.714 38.487 0.042 0.000 1.115 253 N HN 0.433 nan 8.380 nan 0.000 0.481 254 V N 1.067 121.005 119.914 0.041 0.000 3.041 254 V HA 0.024 4.144 4.120 -0.000 0.000 0.260 254 V C 1.448 177.549 176.094 0.011 0.000 1.105 254 V CA 0.831 63.162 62.300 0.051 0.000 1.125 254 V CB -0.424 31.319 31.823 -0.133 0.000 0.730 254 V HN 0.525 nan 8.190 nan 0.000 0.479 255 E N 1.481 121.655 120.200 -0.044 0.000 2.219 255 E HA -0.191 4.159 4.350 -0.000 0.000 0.198 255 E C 2.055 178.643 176.600 -0.019 0.000 0.998 255 E CA 1.582 57.980 56.400 -0.003 0.000 0.818 255 E CB -0.548 29.131 29.700 -0.035 0.000 0.741 255 E HN 0.654 nan 8.360 nan 0.000 0.477 256 L N 0.174 121.342 121.223 -0.092 0.000 2.275 256 L HA -0.115 4.224 4.340 -0.000 0.000 0.215 256 L C 2.377 179.115 176.870 -0.220 0.000 1.119 256 L CA 0.612 55.326 54.840 -0.210 0.000 0.790 256 L CB -0.326 41.476 42.059 -0.428 0.000 0.919 256 L HN 0.082 nan 8.230 nan 0.000 0.443 257 I N -0.644 119.831 120.570 -0.158 0.000 2.141 257 I HA -0.291 3.879 4.170 -0.000 0.000 0.236 257 I C 2.726 178.694 176.117 -0.250 0.000 1.071 257 I CA 1.302 62.464 61.300 -0.230 0.000 1.345 257 I CB -0.267 37.593 38.000 -0.232 0.000 1.066 257 I HN 0.298 nan 8.210 nan 0.000 0.406 258 Q N 1.161 120.862 119.800 -0.165 0.000 2.045 258 Q HA -0.256 4.084 4.340 -0.000 0.000 0.206 258 Q C 2.229 178.208 176.000 -0.034 0.000 0.991 258 Q CA 1.759 57.498 55.803 -0.106 0.000 0.851 258 Q CB 0.073 28.762 28.738 -0.081 0.000 0.911 258 Q HN 0.231 nan 8.270 nan 0.000 0.418 259 K N 0.455 120.835 120.400 -0.034 0.000 2.063 259 K HA -0.116 4.204 4.320 -0.000 0.000 0.208 259 K C 0.887 177.455 176.600 -0.053 0.000 1.048 259 K CA 1.347 57.612 56.287 -0.037 0.000 0.928 259 K CB -0.252 32.221 32.500 -0.044 0.000 0.713 259 K HN 0.310 nan 8.250 nan 0.000 0.442 260 N N 1.393 120.038 118.700 -0.090 0.000 2.376 260 N HA -0.001 4.739 4.740 -0.000 0.000 0.249 260 N C -0.746 174.710 175.510 -0.091 0.000 1.140 260 N CA -0.077 52.914 53.050 -0.098 0.000 0.870 260 N CB 0.331 38.733 38.487 -0.142 0.000 1.124 260 N HN 0.191 nan 8.380 nan 0.000 0.505 261 K N -0.147 120.221 120.400 -0.053 0.000 2.469 261 K HA 0.267 4.586 4.320 -0.000 0.000 0.274 261 K C 0.612 177.225 176.600 0.020 0.000 0.983 261 K CA 0.269 56.556 56.287 -0.001 0.000 0.974 261 K CB 0.209 32.809 32.500 0.166 0.000 0.913 261 K HN 0.082 nan 8.250 nan 0.000 0.493 262 G N 2.059 110.880 108.800 0.036 0.000 2.368 262 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.290 262 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.290 262 G C -0.192 174.703 174.900 -0.009 0.000 1.098 262 G CA -0.108 45.010 45.100 0.030 0.000 1.073 262 G HN 0.574 nan 8.290 nan 0.000 0.511 263 L N 0.790 121.994 121.223 -0.032 0.000 3.288 263 L HA 0.334 4.673 4.340 -0.000 0.000 0.293 263 L C 1.186 178.030 176.870 -0.042 0.000 1.294 263 L CA 1.075 55.886 54.840 -0.049 0.000 1.006 263 L CB -0.454 41.555 42.059 -0.084 0.000 1.407 263 L HN 0.652 nan 8.230 nan 0.000 0.592 264 T N -0.767 113.773 114.554 -0.023 0.000 0.541 264 T HA -0.249 4.101 4.350 -0.000 0.000 0.774 264 T C 1.350 176.041 174.700 -0.016 0.000 0.992 264 T CA 1.130 63.224 62.100 -0.011 0.000 4.077 264 T CB -0.210 68.652 68.868 -0.010 0.000 2.303 264 T HN 0.629 nan 8.240 nan 0.000 0.398 265 G N 1.729 110.528 108.800 -0.001 0.000 2.454 265 G HA2 0.026 3.986 3.960 -0.000 0.000 0.214 265 G HA3 0.026 3.986 3.960 -0.000 0.000 0.214 265 G C -0.525 174.377 174.900 0.003 0.000 1.217 265 G CA 1.132 46.234 45.100 0.004 0.000 0.799 265 G HN 0.720 nan 8.290 nan 0.000 0.538 266 P HA -0.106 nan 4.420 nan 0.000 0.215 266 P C 2.102 179.377 177.300 -0.043 0.000 1.157 266 P CA 2.249 65.344 63.100 -0.008 0.000 0.868 266 P CB -0.218 31.483 31.700 0.002 0.000 0.788 267 A N 0.528 123.320 122.820 -0.046 0.000 1.892 267 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 267 A C 2.535 180.064 177.584 -0.092 0.000 1.188 267 A CA 1.705 53.698 52.037 -0.072 0.000 0.631 267 A CB -1.760 17.203 19.000 -0.062 0.000 0.822 267 A HN 0.135 nan 8.150 nan 0.000 0.447 268 L N -0.324 120.852 121.223 -0.078 0.000 2.129 268 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 268 L C 2.504 179.360 176.870 -0.023 0.000 1.087 268 L CA 1.171 55.946 54.840 -0.108 0.000 0.757 268 L CB -0.498 41.520 42.059 -0.069 0.000 0.896 268 L HN 0.308 nan 8.230 nan 0.000 0.434 269 V N -0.489 119.447 119.914 0.037 0.000 2.307 269 V HA -0.263 3.857 4.120 -0.000 0.000 0.245 269 V C 2.299 178.372 176.094 -0.034 0.000 1.045 269 V CA 1.796 64.152 62.300 0.093 0.000 1.024 269 V CB -0.524 31.301 31.823 0.004 0.000 0.651 269 V HN 0.461 nan 8.190 nan 0.000 0.449 270 E N 0.158 120.250 120.200 -0.180 0.000 2.077 270 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 270 E C 2.258 178.768 176.600 -0.150 0.000 0.989 270 E CA 1.188 57.435 56.400 -0.255 0.000 0.800 270 E CB -0.295 29.264 29.700 -0.237 0.000 0.746 270 E HN 0.363 nan 8.360 nan 0.000 0.452 271 L N 0.536 121.663 121.223 -0.161 0.000 2.129 271 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 271 L C 1.777 178.514 176.870 -0.222 0.000 1.087 271 L CA 1.737 56.447 54.840 -0.216 0.000 0.757 271 L CB -0.542 41.332 42.059 -0.308 0.000 0.896 271 L HN 0.109 nan 8.230 nan 0.000 0.434 272 F N -0.013 119.877 119.950 -0.101 0.000 2.456 272 F HA -0.058 4.468 4.527 -0.000 0.000 0.298 272 F C 2.410 178.172 175.800 -0.063 0.000 1.104 272 F CA 1.262 59.215 58.000 -0.077 0.000 1.435 272 F CB -0.534 38.424 39.000 -0.069 0.000 1.078 272 F HN 0.054 nan 8.300 nan 0.000 0.546 273 T N -1.882 112.719 114.554 0.079 0.000 3.054 273 T HA -0.030 4.320 4.350 -0.000 0.000 0.259 273 T C 1.899 176.611 174.700 0.020 0.000 1.092 273 T CA 1.406 63.534 62.100 0.048 0.000 1.121 273 T CB -0.048 68.805 68.868 -0.025 0.000 0.912 273 T HN 0.153 nan 8.240 nan 0.000 0.489 274 T N 1.083 115.625 114.554 -0.021 0.000 2.898 274 T HA 0.101 4.451 4.350 -0.000 0.000 0.241 274 T C 1.604 176.286 174.700 -0.030 0.000 1.024 274 T CA 0.409 62.490 62.100 -0.030 0.000 1.174 274 T CB 0.034 68.868 68.868 -0.057 0.000 0.873 274 T HN -0.053 nan 8.240 nan 0.000 0.422 275 K N 1.814 122.180 120.400 -0.057 0.000 2.551 275 K HA 0.221 4.541 4.320 -0.000 0.000 0.204 275 K C -0.741 175.843 176.600 -0.028 0.000 1.033 275 K CA 0.225 56.477 56.287 -0.058 0.000 1.187 275 K CB -0.189 32.250 32.500 -0.101 0.000 0.900 275 K HN 0.248 nan 8.250 nan 0.000 0.499 276 D N 0.031 120.438 120.400 0.012 0.000 2.937 276 D HA 0.030 4.670 4.640 -0.000 0.000 0.215 276 D C -0.555 175.775 176.300 0.050 0.000 1.274 276 D CA -0.445 53.586 54.000 0.051 0.000 0.869 276 D CB 0.926 41.814 40.800 0.147 0.000 1.675 276 D HN 0.036 nan 8.370 nan 0.000 0.538 277 N N 1.271 119.988 118.700 0.028 0.000 3.105 277 N HA 0.164 4.903 4.740 -0.000 0.000 0.309 277 N C -0.399 175.126 175.510 0.025 0.000 1.291 277 N CA -0.313 52.751 53.050 0.024 0.000 1.153 277 N CB -0.069 38.423 38.487 0.008 0.000 1.447 277 N HN 0.262 nan 8.380 nan 0.000 0.555 278 A N 0.554 123.404 122.820 0.050 0.000 2.306 278 A HA 0.434 4.754 4.320 -0.000 0.000 0.314 278 A C 0.061 177.709 177.584 0.106 0.000 1.164 278 A CA -0.647 51.418 52.037 0.047 0.000 0.822 278 A CB 0.810 19.837 19.000 0.044 0.000 1.130 278 A HN 0.353 nan 8.150 nan 0.000 0.496 279 E N 0.087 120.363 120.200 0.128 0.000 2.408 279 E HA 0.404 4.754 4.350 -0.000 0.000 0.259 279 E C -0.932 175.822 176.600 0.256 0.000 1.110 279 E CA 0.596 57.099 56.400 0.172 0.000 0.929 279 E CB 0.537 30.340 29.700 0.173 0.000 0.971 279 E HN 0.476 nan 8.360 nan 0.000 0.438 280 F N 2.284 122.269 119.950 0.058 0.000 2.716 280 F HA 0.356 4.883 4.527 -0.000 0.000 0.354 280 F C -1.310 174.514 175.800 0.040 0.000 1.168 280 F CA -1.086 56.944 58.000 0.051 0.000 1.045 280 F CB 0.896 39.925 39.000 0.049 0.000 1.311 280 F HN 0.286 nan 8.300 nan 0.000 0.477 281 V N 7.461 127.188 119.914 -0.312 0.000 2.432 281 V HA 0.278 4.398 4.120 -0.000 0.000 0.275 281 V C 0.834 176.572 176.094 -0.594 0.000 1.043 281 V CA -0.087 61.965 62.300 -0.412 0.000 0.925 281 V CB 1.590 33.320 31.823 -0.154 0.000 0.985 281 V HN 0.938 nan 8.190 nan 0.000 0.466 282 K N 4.331 124.364 120.400 -0.612 0.000 2.009 282 K HA -0.137 4.183 4.320 -0.000 0.000 0.210 282 K C 1.166 177.697 176.600 -0.114 0.000 1.049 282 K CA 1.756 57.817 56.287 -0.377 0.000 0.929 282 K CB -0.338 32.031 32.500 -0.219 0.000 0.714 282 K HN 0.851 nan 8.250 nan 0.000 0.440 283 N N 1.468 120.116 118.700 -0.087 0.000 2.417 283 N HA -0.049 4.691 4.740 -0.000 0.000 0.272 283 N C -1.864 173.662 175.510 0.026 0.000 1.304 283 N CA -0.884 52.158 53.050 -0.014 0.000 0.906 283 N CB 0.809 39.287 38.487 -0.015 0.000 1.135 283 N HN 0.020 nan 8.380 nan 0.000 0.483 284 P HA -0.054 nan 4.420 nan 0.000 0.225 284 P C -0.072 177.302 177.300 0.123 0.000 1.156 284 P CA 0.955 64.115 63.100 0.098 0.000 0.787 284 P CB 0.263 32.030 31.700 0.112 0.000 0.802 285 D N 0.510 121.007 120.400 0.161 0.000 2.378 285 D HA -0.018 4.622 4.640 -0.000 0.000 0.222 285 D C 2.086 178.542 176.300 0.259 0.000 0.980 285 D CA 0.817 55.000 54.000 0.306 0.000 0.907 285 D CB -0.582 40.348 40.800 0.216 0.000 0.899 285 D HN 0.129 nan 8.370 nan 0.000 0.527 286 A N 1.212 124.094 122.820 0.103 0.000 1.940 286 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 286 A C 2.148 179.730 177.584 -0.003 0.000 1.176 286 A CA 1.207 53.268 52.037 0.039 0.000 0.631 286 A CB -0.976 18.022 19.000 -0.003 0.000 0.814 286 A HN 0.483 nan 8.150 nan 0.000 0.446 287 I N -4.006 116.530 120.570 -0.057 0.000 2.597 287 I HA -0.238 3.932 4.170 -0.000 0.000 0.262 287 I C 1.586 177.510 176.117 -0.322 0.000 1.194 287 I CA 1.477 62.682 61.300 -0.158 0.000 1.437 287 I CB -0.693 37.203 38.000 -0.173 0.000 1.096 287 I HN 0.170 nan 8.210 nan 0.000 0.451 288 F N 1.438 121.314 119.950 -0.122 0.000 2.811 288 F HA 0.140 4.667 4.527 -0.000 0.000 0.301 288 F C 2.075 177.760 175.800 -0.192 0.000 1.151 288 F CA 0.489 58.339 58.000 -0.249 0.000 1.412 288 F CB -0.169 38.717 39.000 -0.190 0.000 1.113 288 F HN -0.018 nan 8.300 nan 0.000 0.579 289 K N -0.245 120.150 120.400 -0.008 0.000 2.329 289 K HA 0.225 4.545 4.320 -0.000 0.000 0.198 289 K C 0.388 176.941 176.600 -0.078 0.000 1.085 289 K CA 0.129 56.394 56.287 -0.037 0.000 0.961 289 K CB -0.179 32.299 32.500 -0.037 0.000 0.971 289 K HN 0.104 nan 8.250 nan 0.000 0.502 290 L N 3.904 125.065 121.223 -0.104 0.000 2.660 290 L HA -0.031 4.309 4.340 -0.000 0.000 0.272 290 L C 0.630 177.462 176.870 -0.062 0.000 1.194 290 L CA 0.590 55.357 54.840 -0.122 0.000 0.945 290 L CB -0.330 41.658 42.059 -0.118 0.000 1.212 290 L HN 0.087 nan 8.230 nan 0.000 0.490 291 D N 3.932 124.298 120.400 -0.057 0.000 2.349 291 D HA 0.234 4.874 4.640 -0.000 0.000 0.266 291 D C -0.540 175.766 176.300 0.010 0.000 1.293 291 D CA 0.072 54.059 54.000 -0.021 0.000 0.926 291 D CB 0.640 41.426 40.800 -0.023 0.000 1.090 291 D HN 0.325 nan 8.370 nan 0.000 0.502 292 V N 1.127 121.060 119.914 0.031 0.000 3.078 292 V HA 0.338 4.458 4.120 -0.000 0.000 0.311 292 V C 0.726 176.853 176.094 0.056 0.000 1.138 292 V CA -0.810 61.520 62.300 0.050 0.000 1.007 292 V CB 2.166 34.043 31.823 0.090 0.000 1.045 292 V HN 0.254 nan 8.190 nan 0.000 0.432 293 D N 1.242 121.653 120.400 0.019 0.000 2.117 293 D HA 0.111 4.751 4.640 -0.000 0.000 0.198 293 D C 0.459 176.879 176.300 0.200 0.000 0.982 293 D CA 2.072 56.083 54.000 0.018 0.000 0.828 293 D CB 0.246 40.908 40.800 -0.230 0.000 0.967 293 D HN 0.622 nan 8.370 nan 0.000 0.464 294 I N -0.581 120.099 120.570 0.183 0.000 2.545 294 I HA 0.292 4.461 4.170 -0.000 0.000 0.292 294 I C -0.886 175.362 176.117 0.218 0.000 1.040 294 I CA -1.037 60.399 61.300 0.228 0.000 1.068 294 I CB 2.402 40.529 38.000 0.212 0.000 1.251 294 I HN -0.294 nan 8.210 nan 0.000 0.424 295 F N 6.397 126.383 119.950 0.061 0.000 2.507 295 F HA 0.791 5.318 4.527 -0.000 0.000 0.325 295 F C -1.136 174.678 175.800 0.023 0.000 1.116 295 F CA -0.878 57.135 58.000 0.021 0.000 0.930 295 F CB 1.655 40.664 39.000 0.014 0.000 1.146 295 F HN 0.112 nan 8.300 nan 0.000 0.447 296 V N 7.202 126.569 119.914 -0.911 0.000 2.380 296 V HA 0.385 4.505 4.120 -0.000 0.000 0.286 296 V C -2.460 173.149 176.094 -0.808 0.000 1.015 296 V CA -1.543 60.371 62.300 -0.643 0.000 0.834 296 V CB 1.432 33.091 31.823 -0.273 0.000 1.009 296 V HN 0.600 nan 8.190 nan 0.000 0.428 297 P HA 0.371 nan 4.420 nan 0.000 0.280 297 P C -0.158 177.067 177.300 -0.125 0.000 1.386 297 P CA -0.104 62.816 63.100 -0.299 0.000 0.899 297 P CB 1.464 33.163 31.700 -0.001 0.000 1.098 298 A N 2.945 125.702 122.820 -0.104 0.000 2.985 298 A HA 0.607 4.927 4.320 -0.000 0.000 0.303 298 A C 0.998 178.585 177.584 0.005 0.000 1.048 298 A CA 0.042 52.061 52.037 -0.030 0.000 1.016 298 A CB -0.028 18.959 19.000 -0.021 0.000 1.118 298 A HN 0.454 nan 8.150 nan 0.000 0.529 299 A N 0.304 123.137 122.820 0.021 0.000 1.949 299 A HA 0.723 5.043 4.320 -0.000 0.000 0.200 299 A C 0.529 178.141 177.584 0.045 0.000 1.832 299 A CA 0.956 53.016 52.037 0.038 0.000 1.004 299 A CB 0.058 19.087 19.000 0.048 0.000 1.102 299 A HN 0.916 nan 8.150 nan 0.000 0.595 300 I N -2.538 118.067 120.570 0.058 0.000 3.467 300 I HA 0.687 4.857 4.170 -0.000 0.000 0.314 300 I C -1.392 174.758 176.117 0.055 0.000 1.177 300 I CA -1.316 60.013 61.300 0.049 0.000 0.943 300 I CB 1.369 39.398 38.000 0.048 0.000 1.338 300 I HN 0.060 nan 8.210 nan 0.000 0.482 301 E N 0.052 120.272 120.200 0.034 0.000 2.280 301 E HA 0.412 4.762 4.350 -0.000 0.000 0.264 301 E C -0.934 175.687 176.600 0.036 0.000 1.064 301 E CA -0.701 55.717 56.400 0.030 0.000 0.900 301 E CB 0.286 29.982 29.700 -0.006 0.000 1.123 301 E HN 0.708 nan 8.360 nan 0.000 0.418 302 N N -0.745 117.977 118.700 0.036 0.000 2.758 302 N HA -0.191 4.549 4.740 -0.000 0.000 0.248 302 N C 0.034 175.575 175.510 0.053 0.000 1.076 302 N CA 0.155 53.222 53.050 0.028 0.000 0.696 302 N CB -1.007 37.479 38.487 -0.002 0.000 0.979 302 N HN 0.165 nan 8.380 nan 0.000 0.550 303 V N -0.059 119.919 119.914 0.108 0.000 2.426 303 V HA 0.082 4.202 4.120 -0.000 0.000 0.242 303 V C 0.989 177.155 176.094 0.119 0.000 1.036 303 V CA 1.129 63.541 62.300 0.187 0.000 1.044 303 V CB 0.226 32.239 31.823 0.315 0.000 0.688 303 V HN 0.299 nan 8.190 nan 0.000 0.462 304 I N 1.444 122.096 120.570 0.137 0.000 2.347 304 I HA 0.313 4.483 4.170 -0.000 0.000 0.283 304 I C 0.417 176.544 176.117 0.017 0.000 1.058 304 I CA -0.063 61.275 61.300 0.063 0.000 1.202 304 I CB 0.502 38.606 38.000 0.173 0.000 1.386 304 I HN 0.207 nan 8.210 nan 0.000 0.475 305 R N 2.867 123.339 120.500 -0.047 0.000 2.601 305 R HA 0.469 4.809 4.340 -0.000 0.000 0.220 305 R C 1.515 177.797 176.300 -0.030 0.000 1.329 305 R CA -0.443 55.639 56.100 -0.029 0.000 1.043 305 R CB 0.176 30.448 30.300 -0.047 0.000 1.807 305 R HN 0.567 nan 8.270 nan 0.000 0.537 306 G N 0.224 109.011 108.800 -0.021 0.000 2.511 306 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 306 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 306 G C 0.607 175.487 174.900 -0.033 0.000 1.133 306 G CA 0.866 45.957 45.100 -0.015 0.000 0.792 306 G HN 0.764 nan 8.290 nan 0.000 0.539 307 D N 0.190 120.558 120.400 -0.054 0.000 2.347 307 D HA -0.036 4.604 4.640 -0.000 0.000 0.213 307 D C 1.645 177.887 176.300 -0.096 0.000 0.985 307 D CA 0.902 54.863 54.000 -0.065 0.000 0.879 307 D CB -0.054 40.706 40.800 -0.066 0.000 0.919 307 D HN 0.395 nan 8.370 nan 0.000 0.526 308 N N 0.099 118.721 118.700 -0.130 0.000 2.113 308 N HA 0.168 4.908 4.740 -0.000 0.000 0.223 308 N C 1.533 176.956 175.510 -0.145 0.000 1.310 308 N CA 0.420 53.358 53.050 -0.187 0.000 0.896 308 N CB -0.230 38.039 38.487 -0.363 0.000 1.097 308 N HN 0.155 nan 8.380 nan 0.000 0.507 309 A N 1.278 124.045 122.820 -0.088 0.000 1.884 309 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 309 A C 1.773 179.339 177.584 -0.029 0.000 1.197 309 A CA 1.809 53.824 52.037 -0.038 0.000 0.637 309 A CB -1.511 17.487 19.000 -0.004 0.000 0.827 309 A HN 0.396 nan 8.150 nan 0.000 0.450 310 G N -1.151 107.632 108.800 -0.028 0.000 3.284 310 G HA2 0.421 4.381 3.960 -0.000 0.000 0.251 310 G HA3 0.421 4.381 3.960 -0.000 0.000 0.251 310 G C 0.380 175.263 174.900 -0.029 0.000 0.913 310 G CA 0.094 45.183 45.100 -0.018 0.000 1.947 310 G HN 0.421 nan 8.290 nan 0.000 0.635 311 L N -0.269 120.933 121.223 -0.035 0.000 3.481 311 L HA 0.110 4.450 4.340 -0.000 0.000 0.338 311 L C 0.434 177.286 176.870 -0.029 0.000 1.039 311 L CA -0.128 54.691 54.840 -0.035 0.000 1.313 311 L CB 0.204 42.230 42.059 -0.054 0.000 2.046 311 L HN -0.002 nan 8.230 nan 0.000 0.609 312 V N 2.242 122.136 119.914 -0.034 0.000 2.673 312 V HA 0.015 4.135 4.120 -0.000 0.000 0.303 312 V C 1.171 177.245 176.094 -0.033 0.000 1.046 312 V CA 0.211 62.475 62.300 -0.060 0.000 1.126 312 V CB 0.777 32.554 31.823 -0.076 0.000 0.934 312 V HN 0.263 nan 8.190 nan 0.000 0.487 313 K N 2.539 122.917 120.400 -0.037 0.000 2.334 313 K HA 0.262 4.582 4.320 -0.000 0.000 0.195 313 K C 0.947 177.566 176.600 0.031 0.000 1.045 313 K CA 0.610 56.895 56.287 -0.004 0.000 1.004 313 K CB 0.088 32.581 32.500 -0.011 0.000 0.837 313 K HN 0.747 nan 8.250 nan 0.000 0.510 314 A N 3.321 126.168 122.820 0.045 0.000 2.546 314 A HA -0.016 4.304 4.320 -0.000 0.000 0.243 314 A C 1.098 178.760 177.584 0.130 0.000 1.063 314 A CA -0.016 52.091 52.037 0.116 0.000 0.757 314 A CB 0.234 19.346 19.000 0.186 0.000 0.991 314 A HN 0.192 nan 8.150 nan 0.000 0.503 315 R N 1.587 122.198 120.500 0.186 0.000 2.297 315 R HA 0.146 4.486 4.340 -0.000 0.000 0.197 315 R C -0.445 175.972 176.300 0.194 0.000 0.943 315 R CA 0.157 56.379 56.100 0.202 0.000 1.038 315 R CB -0.853 29.623 30.300 0.293 0.000 0.957 315 R HN 0.502 nan 8.270 nan 0.000 0.484 316 L N 0.409 121.762 121.223 0.218 0.000 2.482 316 L HA 0.394 4.734 4.340 -0.000 0.000 0.269 316 L C -1.509 175.453 176.870 0.153 0.000 0.967 316 L CA -0.927 53.999 54.840 0.143 0.000 0.851 316 L CB 2.545 44.698 42.059 0.157 0.000 1.242 316 L HN -0.209 nan 8.230 nan 0.000 0.404 317 V N 5.636 125.611 119.914 0.101 0.000 2.409 317 V HA 0.597 4.717 4.120 -0.000 0.000 0.291 317 V C -0.483 175.653 176.094 0.069 0.000 1.020 317 V CA -0.691 61.695 62.300 0.143 0.000 0.848 317 V CB 1.904 33.840 31.823 0.189 0.000 0.990 317 V HN 0.488 nan 8.190 nan 0.000 0.430 318 V N 4.249 124.185 119.914 0.036 0.000 2.384 318 V HA 0.329 4.449 4.120 -0.000 0.000 0.287 318 V C 0.285 176.371 176.094 -0.013 0.000 1.020 318 V CA -0.714 61.588 62.300 0.004 0.000 0.850 318 V CB 1.616 33.435 31.823 -0.006 0.000 0.987 318 V HN 0.898 nan 8.190 nan 0.000 0.436 319 E N 3.597 123.805 120.200 0.012 0.000 2.081 319 E HA 0.158 4.508 4.350 -0.000 0.000 0.270 319 E C 1.055 177.659 176.600 0.007 0.000 1.180 319 E CA 0.276 56.688 56.400 0.019 0.000 0.926 319 E CB 1.091 30.816 29.700 0.043 0.000 1.035 319 E HN 0.885 nan 8.360 nan 0.000 0.418 320 G N 3.115 111.908 108.800 -0.012 0.000 2.437 320 G HA2 0.056 4.016 3.960 -0.000 0.000 0.212 320 G HA3 0.056 4.016 3.960 -0.000 0.000 0.212 320 G C 0.714 175.627 174.900 0.022 0.000 1.174 320 G CA 0.528 45.630 45.100 0.003 0.000 0.811 320 G HN 0.566 nan 8.290 nan 0.000 0.537 321 A N 0.120 122.952 122.820 0.020 0.000 2.250 321 A HA 0.554 4.874 4.320 -0.000 0.000 0.283 321 A C -0.054 177.553 177.584 0.038 0.000 1.206 321 A CA -0.472 51.585 52.037 0.033 0.000 0.840 321 A CB 0.198 19.219 19.000 0.035 0.000 1.220 321 A HN 0.223 nan 8.150 nan 0.000 0.505 322 N N -0.129 118.593 118.700 0.038 0.000 2.434 322 N HA 0.414 5.154 4.740 -0.000 0.000 0.272 322 N C 0.580 176.116 175.510 0.043 0.000 1.040 322 N CA 1.101 54.175 53.050 0.041 0.000 0.956 322 N CB 1.116 39.627 38.487 0.039 0.000 1.108 322 N HN 1.222 nan 8.380 nan 0.000 0.481 323 G N 3.571 112.401 108.800 0.050 0.000 2.371 323 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.299 323 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.299 323 G C -1.277 173.662 174.900 0.064 0.000 1.014 323 G CA -0.144 44.990 45.100 0.058 0.000 1.097 323 G HN 0.514 nan 8.290 nan 0.000 0.512 324 P HA 0.008 nan 4.420 nan 0.000 0.221 324 P C 0.730 178.102 177.300 0.120 0.000 1.155 324 P CA 1.024 64.186 63.100 0.103 0.000 0.812 324 P CB 0.187 31.956 31.700 0.115 0.000 0.801 325 T N 1.243 115.868 114.554 0.117 0.000 2.749 325 T HA 0.262 4.612 4.350 -0.000 0.000 0.295 325 T C 0.287 175.047 174.700 0.100 0.000 0.936 325 T CA -0.135 62.038 62.100 0.120 0.000 1.060 325 T CB 0.344 69.290 68.868 0.131 0.000 0.904 325 T HN -0.099 nan 8.240 nan 0.000 0.500 326 T N 6.292 120.896 114.554 0.083 0.000 2.901 326 T HA 0.114 4.464 4.350 -0.000 0.000 0.301 326 T C -1.200 173.554 174.700 0.090 0.000 1.012 326 T CA -1.085 61.057 62.100 0.071 0.000 1.135 326 T CB 0.864 69.757 68.868 0.042 0.000 0.936 326 T HN 0.325 nan 8.240 nan 0.000 0.539 327 P HA -0.182 nan 4.420 nan 0.000 0.218 327 P C 1.402 178.759 177.300 0.095 0.000 1.154 327 P CA 1.080 64.248 63.100 0.114 0.000 0.872 327 P CB 0.282 32.064 31.700 0.136 0.000 0.790 328 E N -0.775 119.471 120.200 0.076 0.000 2.028 328 E HA -0.148 4.201 4.350 -0.000 0.000 0.191 328 E C 2.036 178.679 176.600 0.071 0.000 0.988 328 E CA 1.043 57.482 56.400 0.064 0.000 0.799 328 E CB -0.568 29.158 29.700 0.044 0.000 0.755 328 E HN 0.046 nan 8.360 nan 0.000 0.447 329 A N 1.249 124.109 122.820 0.065 0.000 1.978 329 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 329 A C 2.018 179.665 177.584 0.104 0.000 1.170 329 A CA 1.516 53.593 52.037 0.067 0.000 0.636 329 A CB -0.538 18.494 19.000 0.053 0.000 0.810 329 A HN 0.329 nan 8.150 nan 0.000 0.448 330 E N -0.651 119.629 120.200 0.133 0.000 2.110 330 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 330 E C 2.253 179.007 176.600 0.257 0.000 0.988 330 E CA 1.238 57.762 56.400 0.207 0.000 0.804 330 E CB -0.077 29.741 29.700 0.197 0.000 0.745 330 E HN 0.587 nan 8.360 nan 0.000 0.458 331 R N 0.608 121.207 120.500 0.165 0.000 2.070 331 R HA -0.103 4.237 4.340 -0.000 0.000 0.233 331 R C 2.337 178.733 176.300 0.160 0.000 1.137 331 R CA 1.199 57.387 56.100 0.147 0.000 0.945 331 R CB -0.330 30.026 30.300 0.092 0.000 0.845 331 R HN 0.108 nan 8.270 nan 0.000 0.430 332 I N 0.308 120.949 120.570 0.118 0.000 2.045 332 I HA -0.350 3.819 4.170 -0.000 0.000 0.233 332 I C 2.220 178.399 176.117 0.104 0.000 1.048 332 I CA 1.556 62.911 61.300 0.093 0.000 1.313 332 I CB -0.486 37.551 38.000 0.061 0.000 1.043 332 I HN 0.196 nan 8.210 nan 0.000 0.393 333 L N -0.699 120.578 121.223 0.090 0.000 2.103 333 L HA -0.316 4.024 4.340 -0.000 0.000 0.215 333 L C 2.646 179.532 176.870 0.027 0.000 1.080 333 L CA 1.744 56.610 54.840 0.044 0.000 0.764 333 L CB -0.678 41.392 42.059 0.019 0.000 0.890 333 L HN 0.275 nan 8.230 nan 0.000 0.435 334 Y N 0.536 120.889 120.300 0.089 0.000 2.184 334 Y HA -0.236 4.314 4.550 -0.000 0.000 0.290 334 Y C 2.476 178.437 175.900 0.101 0.000 1.129 334 Y CA 1.645 59.811 58.100 0.110 0.000 1.144 334 Y CB -0.151 38.381 38.460 0.120 0.000 0.995 334 Y HN 0.359 nan 8.280 nan 0.000 0.513 335 E N -0.153 120.193 120.200 0.244 0.000 2.438 335 E HA -0.022 4.327 4.350 -0.000 0.000 0.192 335 E C 0.959 177.626 176.600 0.112 0.000 1.110 335 E CA 0.309 56.807 56.400 0.164 0.000 0.893 335 E CB -0.136 29.639 29.700 0.125 0.000 0.990 335 E HN 0.328 nan 8.360 nan 0.000 0.490 336 R N -0.171 120.387 120.500 0.097 0.000 2.565 336 R HA 0.177 4.517 4.340 -0.000 0.000 0.347 336 R C 0.593 176.928 176.300 0.058 0.000 1.010 336 R CA 0.335 56.473 56.100 0.064 0.000 1.126 336 R CB 1.231 31.560 30.300 0.047 0.000 1.331 336 R HN 0.344 nan 8.270 nan 0.000 0.552 337 G N 1.315 110.157 108.800 0.071 0.000 2.136 337 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.242 337 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.242 337 G C 0.006 174.924 174.900 0.031 0.000 0.989 337 G CA 0.112 45.253 45.100 0.069 0.000 0.682 337 G HN 0.118 nan 8.290 nan 0.000 0.522 338 V N 1.248 121.135 119.914 -0.044 0.000 2.370 338 V HA 0.617 4.737 4.120 -0.000 0.000 0.283 338 V C 0.810 176.702 176.094 -0.337 0.000 1.023 338 V CA -0.465 61.775 62.300 -0.100 0.000 0.857 338 V CB 1.619 33.402 31.823 -0.067 0.000 0.985 338 V HN 0.977 nan 8.190 nan 0.000 0.443 339 V N 4.206 123.979 119.914 -0.235 0.000 2.407 339 V HA 0.755 4.875 4.120 -0.000 0.000 0.278 339 V C 0.002 175.951 176.094 -0.242 0.000 1.037 339 V CA -0.664 61.425 62.300 -0.350 0.000 0.900 339 V CB 1.333 33.145 31.823 -0.019 0.000 0.983 339 V HN 0.757 nan 8.190 nan 0.000 0.459 340 V N 3.355 123.107 119.914 -0.270 0.000 2.370 340 V HA 0.681 4.800 4.120 -0.000 0.000 0.283 340 V C 0.044 176.131 176.094 -0.012 0.000 1.023 340 V CA -0.583 61.684 62.300 -0.055 0.000 0.857 340 V CB 1.206 33.047 31.823 0.031 0.000 0.985 340 V HN 0.718 nan 8.190 nan 0.000 0.443 341 V N 7.180 127.083 119.914 -0.019 0.000 2.427 341 V HA 0.279 4.398 4.120 -0.000 0.000 0.268 341 V C -1.973 174.123 176.094 0.002 0.000 1.046 341 V CA -1.468 60.814 62.300 -0.031 0.000 0.970 341 V CB 0.658 32.463 31.823 -0.030 0.000 1.001 341 V HN 0.846 nan 8.190 nan 0.000 0.476 342 P HA -0.014 nan 4.420 nan 0.000 0.261 342 P C 0.350 177.670 177.300 0.032 0.000 1.173 342 P CA 0.117 63.235 63.100 0.029 0.000 0.760 342 P CB 0.467 32.180 31.700 0.022 0.000 0.783 343 D N 3.485 123.911 120.400 0.044 0.000 2.144 343 D HA -0.188 4.452 4.640 -0.000 0.000 0.199 343 D C 1.409 177.734 176.300 0.043 0.000 0.984 343 D CA 1.450 55.474 54.000 0.041 0.000 0.834 343 D CB -1.024 39.803 40.800 0.044 0.000 0.955 343 D HN 0.270 nan 8.370 nan 0.000 0.465 344 I N -0.176 120.426 120.570 0.054 0.000 2.399 344 I HA -0.194 3.976 4.170 -0.000 0.000 0.254 344 I C 2.347 178.490 176.117 0.044 0.000 1.146 344 I CA 0.851 62.186 61.300 0.058 0.000 1.412 344 I CB -0.337 37.714 38.000 0.084 0.000 1.076 344 I HN 0.087 nan 8.210 nan 0.000 0.432 345 L N -0.530 120.715 121.223 0.036 0.000 2.286 345 L HA 0.283 4.623 4.340 -0.000 0.000 0.203 345 L C 2.385 179.266 176.870 0.018 0.000 1.068 345 L CA 1.327 56.182 54.840 0.025 0.000 0.811 345 L CB -0.590 41.479 42.059 0.017 0.000 0.989 345 L HN 0.070 nan 8.230 nan 0.000 0.467 346 A N 1.042 123.872 122.820 0.016 0.000 1.841 346 A HA -0.205 4.115 4.320 -0.000 0.000 0.214 346 A C 1.755 179.352 177.584 0.020 0.000 1.195 346 A CA 1.755 53.798 52.037 0.011 0.000 0.611 346 A CB -1.131 17.875 19.000 0.009 0.000 0.835 346 A HN 0.718 nan 8.150 nan 0.000 0.443 347 N N 0.222 118.940 118.700 0.031 0.000 2.449 347 N HA 0.297 5.037 4.740 -0.000 0.000 0.191 347 N C 0.914 176.451 175.510 0.044 0.000 1.161 347 N CA 0.894 53.969 53.050 0.041 0.000 0.863 347 N CB -0.307 38.207 38.487 0.045 0.000 0.980 347 N HN 0.330 nan 8.380 nan 0.000 0.458 348 A N 0.086 122.930 122.820 0.039 0.000 2.259 348 A HA 0.135 4.455 4.320 -0.000 0.000 0.212 348 A C 2.160 179.774 177.584 0.051 0.000 1.178 348 A CA 0.881 52.944 52.037 0.043 0.000 0.734 348 A CB -1.213 17.810 19.000 0.038 0.000 0.774 348 A HN 0.440 nan 8.150 nan 0.000 0.481 349 G N -0.026 108.804 108.800 0.050 0.000 2.442 349 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.219 349 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.219 349 G C 1.441 176.375 174.900 0.058 0.000 1.141 349 G CA 1.143 46.280 45.100 0.061 0.000 0.763 349 G HN 0.639 nan 8.290 nan 0.000 0.554 350 G N 0.277 109.106 108.800 0.049 0.000 2.403 350 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.216 350 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.216 350 G C 1.750 176.681 174.900 0.052 0.000 1.154 350 G CA 1.211 46.332 45.100 0.034 0.000 0.784 350 G HN 0.348 nan 8.290 nan 0.000 0.538 351 V N 1.228 121.182 119.914 0.067 0.000 2.358 351 V HA -0.098 4.022 4.120 -0.000 0.000 0.246 351 V C 2.722 178.911 176.094 0.158 0.000 1.047 351 V CA 1.166 63.525 62.300 0.098 0.000 1.035 351 V CB -0.503 31.372 31.823 0.087 0.000 0.658 351 V HN 0.359 nan 8.190 nan 0.000 0.452 352 I N -0.689 119.959 120.570 0.129 0.000 2.127 352 I HA -0.271 3.899 4.170 -0.000 0.000 0.241 352 I C 2.679 178.917 176.117 0.201 0.000 1.075 352 I CA 1.654 63.052 61.300 0.164 0.000 1.334 352 I CB -0.414 37.658 38.000 0.120 0.000 1.040 352 I HN 0.271 nan 8.210 nan 0.000 0.405 353 M N 0.568 120.238 119.600 0.117 0.000 2.149 353 M HA -0.214 4.266 4.480 -0.000 0.000 0.261 353 M C 2.705 179.054 176.300 0.081 0.000 1.064 353 M CA 2.126 57.464 55.300 0.063 0.000 1.102 353 M CB -1.042 31.543 32.600 -0.025 0.000 1.369 353 M HN 0.342 nan 8.290 nan 0.000 0.408 354 S N -0.345 115.423 115.700 0.115 0.000 2.383 354 S HA -0.238 4.232 4.470 -0.000 0.000 0.229 354 S C 1.980 176.736 174.600 0.261 0.000 1.030 354 S CA 1.509 59.790 58.200 0.136 0.000 1.002 354 S CB -0.711 62.561 63.200 0.119 0.000 0.829 354 S HN 0.579 nan 8.310 nan 0.000 0.467 355 Y N 2.056 122.483 120.300 0.212 0.000 2.200 355 Y HA 0.049 4.599 4.550 -0.000 0.000 0.290 355 Y C 1.901 177.920 175.900 0.199 0.000 1.137 355 Y CA 1.601 59.815 58.100 0.191 0.000 1.163 355 Y CB -0.622 37.794 38.460 -0.073 0.000 0.988 355 Y HN 0.289 nan 8.280 nan 0.000 0.518 356 L N 0.352 121.522 121.223 -0.089 0.000 2.083 356 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 356 L C 2.601 179.288 176.870 -0.305 0.000 1.083 356 L CA 1.994 56.712 54.840 -0.203 0.000 0.752 356 L CB -0.717 41.373 42.059 0.052 0.000 0.899 356 L HN 0.320 nan 8.230 nan 0.000 0.433 357 E N -0.201 119.913 120.200 -0.143 0.000 2.077 357 E HA -0.281 4.068 4.350 -0.000 0.000 0.193 357 E C 2.117 178.650 176.600 -0.112 0.000 0.989 357 E CA 1.458 57.766 56.400 -0.153 0.000 0.800 357 E CB -0.220 29.450 29.700 -0.050 0.000 0.746 357 E HN 0.467 nan 8.360 nan 0.000 0.452 358 W N 1.004 122.183 121.300 -0.202 0.000 2.354 358 W HA -0.220 4.440 4.660 -0.000 0.000 0.315 358 W C 2.084 178.446 176.519 -0.262 0.000 1.206 358 W CA 1.680 58.928 57.345 -0.161 0.000 1.290 358 W CB -0.738 28.738 29.460 0.027 0.000 1.152 358 W HN -0.083 nan 8.180 nan 0.000 0.489 359 V N 1.234 120.951 119.914 -0.329 0.000 2.324 359 V HA -0.361 3.759 4.120 -0.000 0.000 0.250 359 V C 2.186 177.981 176.094 -0.499 0.000 1.060 359 V CA 2.522 64.510 62.300 -0.521 0.000 1.042 359 V CB -0.976 30.582 31.823 -0.441 0.000 0.650 359 V HN 0.257 nan 8.190 nan 0.000 0.450 360 E N -0.035 119.811 120.200 -0.590 0.000 2.110 360 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 360 E C 2.059 178.390 176.600 -0.448 0.000 0.988 360 E CA 1.222 57.259 56.400 -0.604 0.000 0.804 360 E CB -0.235 28.994 29.700 -0.785 0.000 0.745 360 E HN 0.596 nan 8.360 nan 0.000 0.458 361 N N 0.784 119.201 118.700 -0.471 0.000 2.188 361 N HA -0.090 4.649 4.740 -0.000 0.000 0.184 361 N C 1.858 176.953 175.510 -0.691 0.000 1.018 361 N CA 0.767 53.458 53.050 -0.597 0.000 0.858 361 N CB -0.106 38.102 38.487 -0.465 0.000 0.989 361 N HN 0.187 nan 8.380 nan 0.000 0.426 362 L N 0.881 121.757 121.223 -0.578 0.000 2.275 362 L HA -0.121 4.219 4.340 -0.000 0.000 0.215 362 L C 1.638 178.363 176.870 -0.241 0.000 1.119 362 L CA 0.924 55.487 54.840 -0.461 0.000 0.790 362 L CB -0.246 41.469 42.059 -0.573 0.000 0.919 362 L HN 0.311 nan 8.230 nan 0.000 0.443 363 Q N -2.557 117.128 119.800 -0.191 0.000 2.194 363 Q HA -0.006 4.334 4.340 -0.000 0.000 0.214 363 Q C -0.283 175.824 176.000 0.177 0.000 0.838 363 Q CA -0.501 55.307 55.803 0.009 0.000 0.972 363 Q CB -0.041 28.703 28.738 0.010 0.000 1.131 363 Q HN 0.253 nan 8.270 nan 0.000 0.498 364 W N 0.600 121.842 121.300 -0.097 0.000 6.351 364 W HA -0.266 4.394 4.660 -0.000 0.000 0.403 364 W C -0.811 175.748 176.519 0.067 0.000 1.540 364 W CA 0.664 57.967 57.345 -0.069 0.000 1.055 364 W CB -1.843 27.573 29.460 -0.072 0.000 2.721 364 W HN 0.453 nan 8.180 nan 0.000 1.542 365 Y N 0.454 120.754 120.300 0.001 0.000 2.433 365 Y HA 0.605 5.155 4.550 -0.000 0.000 0.337 365 Y C -0.260 175.542 175.900 -0.164 0.000 1.026 365 Y CA -2.281 55.822 58.100 0.004 0.000 1.037 365 Y CB 0.900 39.399 38.460 0.065 0.000 1.245 365 Y HN -0.055 nan 8.280 nan 0.000 0.443 366 I N 6.231 126.499 120.570 -0.504 0.000 2.339 366 I HA 0.213 4.383 4.170 -0.000 0.000 0.290 366 I C -0.600 175.269 176.117 -0.413 0.000 0.994 366 I CA -0.671 60.349 61.300 -0.467 0.000 1.191 366 I CB 0.701 38.548 38.000 -0.254 0.000 1.343 366 I HN 0.485 nan 8.210 nan 0.000 0.458 367 W N 4.409 125.581 121.300 -0.214 0.000 1.966 367 W HA 0.190 4.850 4.660 -0.000 0.000 0.367 367 W C 0.436 176.884 176.519 -0.119 0.000 1.451 367 W CA -0.558 56.699 57.345 -0.147 0.000 1.538 367 W CB -0.027 29.403 29.460 -0.050 0.000 1.251 367 W HN 0.466 nan 8.180 nan 0.000 0.671 368 D N -0.446 120.064 120.400 0.184 0.000 2.388 368 D HA 0.073 4.713 4.640 -0.000 0.000 0.254 368 D C 0.534 176.887 176.300 0.088 0.000 1.111 368 D CA -0.430 53.622 54.000 0.087 0.000 0.993 368 D CB 1.271 42.108 40.800 0.061 0.000 1.118 368 D HN 0.403 nan 8.370 nan 0.000 0.502 369 E N -0.023 120.209 120.200 0.055 0.000 2.114 369 E HA -0.253 4.097 4.350 -0.000 0.000 0.199 369 E C 1.645 178.261 176.600 0.026 0.000 1.008 369 E CA 1.341 57.768 56.400 0.045 0.000 0.810 369 E CB 0.092 29.841 29.700 0.082 0.000 0.739 369 E HN 0.571 nan 8.360 nan 0.000 0.456 370 E N 0.392 120.614 120.200 0.037 0.000 2.031 370 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 370 E C 2.156 178.752 176.600 -0.007 0.000 0.994 370 E CA 0.814 57.226 56.400 0.021 0.000 0.800 370 E CB 0.131 29.851 29.700 0.034 0.000 0.752 370 E HN 0.120 nan 8.360 nan 0.000 0.447 371 E N -0.016 120.183 120.200 -0.002 0.000 2.049 371 E HA -0.177 4.172 4.350 -0.000 0.000 0.198 371 E C 2.168 178.744 176.600 -0.040 0.000 1.007 371 E CA 1.685 58.042 56.400 -0.072 0.000 0.809 371 E CB -0.467 29.179 29.700 -0.090 0.000 0.749 371 E HN 0.270 nan 8.360 nan 0.000 0.450 372 T N 0.849 115.469 114.554 0.110 0.000 2.684 372 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 372 T C 2.001 176.704 174.700 0.005 0.000 1.036 372 T CA 1.386 63.588 62.100 0.170 0.000 1.148 372 T CB -0.162 68.775 68.868 0.114 0.000 0.863 372 T HN 0.154 nan 8.240 nan 0.000 0.436 373 R N 0.574 121.011 120.500 -0.106 0.000 2.115 373 R HA 0.043 4.383 4.340 -0.000 0.000 0.230 373 R C 2.599 178.877 176.300 -0.036 0.000 1.111 373 R CA 0.963 56.923 56.100 -0.233 0.000 0.976 373 R CB -0.069 29.951 30.300 -0.467 0.000 0.870 373 R HN 0.361 nan 8.270 nan 0.000 0.445 374 K N 0.208 120.596 120.400 -0.020 0.000 2.026 374 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 374 K C 2.158 178.770 176.600 0.019 0.000 1.048 374 K CA 1.426 57.720 56.287 0.011 0.000 0.929 374 K CB 0.008 32.491 32.500 -0.029 0.000 0.713 374 K HN 0.064 nan 8.250 nan 0.000 0.439 375 R N 0.482 120.974 120.500 -0.013 0.000 2.075 375 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 375 R C 2.294 178.645 176.300 0.086 0.000 1.126 375 R CA 0.948 57.056 56.100 0.012 0.000 0.963 375 R CB -0.388 29.895 30.300 -0.028 0.000 0.858 375 R HN 0.109 nan 8.270 nan 0.000 0.435 376 L N 1.498 122.785 121.223 0.107 0.000 2.017 376 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 376 L C 2.137 179.110 176.870 0.171 0.000 1.073 376 L CA 1.922 56.849 54.840 0.145 0.000 0.745 376 L CB -0.669 41.463 42.059 0.121 0.000 0.894 376 L HN 0.201 nan 8.230 nan 0.000 0.432 377 E N -0.486 119.851 120.200 0.228 0.000 2.077 377 E HA -0.268 4.081 4.350 -0.000 0.000 0.193 377 E C 1.905 178.540 176.600 0.059 0.000 0.989 377 E CA 1.677 58.170 56.400 0.156 0.000 0.800 377 E CB -0.157 29.666 29.700 0.205 0.000 0.746 377 E HN 0.728 nan 8.360 nan 0.000 0.452 378 N N 0.325 119.062 118.700 0.061 0.000 2.043 378 N HA -0.165 4.575 4.740 -0.000 0.000 0.193 378 N C 2.063 177.593 175.510 0.035 0.000 1.037 378 N CA 1.660 54.732 53.050 0.037 0.000 0.851 378 N CB -0.124 38.382 38.487 0.031 0.000 1.027 378 N HN 0.161 nan 8.380 nan 0.000 0.422 379 I N 0.346 120.947 120.570 0.051 0.000 2.118 379 I HA -0.312 3.858 4.170 -0.000 0.000 0.241 379 I C 2.406 178.540 176.117 0.029 0.000 1.070 379 I CA 1.156 62.484 61.300 0.046 0.000 1.327 379 I CB -0.215 37.830 38.000 0.075 0.000 1.034 379 I HN 0.261 nan 8.210 nan 0.000 0.405 380 M N 0.640 120.256 119.600 0.026 0.000 2.149 380 M HA -0.143 4.336 4.480 -0.000 0.000 0.261 380 M C 2.037 178.332 176.300 -0.008 0.000 1.064 380 M CA 1.846 57.148 55.300 0.003 0.000 1.102 380 M CB -0.402 32.185 32.600 -0.022 0.000 1.369 380 M HN 0.004 nan 8.290 nan 0.000 0.408 381 V N 0.575 120.483 119.914 -0.010 0.000 2.358 381 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 381 V C 2.431 178.528 176.094 0.004 0.000 1.047 381 V CA 2.029 64.321 62.300 -0.013 0.000 1.035 381 V CB -1.073 30.744 31.823 -0.011 0.000 0.658 381 V HN 0.595 nan 8.190 nan 0.000 0.452 382 N N 0.346 119.054 118.700 0.013 0.000 2.216 382 N HA -0.140 4.600 4.740 -0.000 0.000 0.183 382 N C 1.642 177.169 175.510 0.029 0.000 1.017 382 N CA 1.131 54.194 53.050 0.022 0.000 0.861 382 N CB -0.066 38.433 38.487 0.020 0.000 0.986 382 N HN 0.477 nan 8.380 nan 0.000 0.428 383 N N 0.770 119.484 118.700 0.023 0.000 2.142 383 N HA -0.099 4.641 4.740 -0.000 0.000 0.186 383 N C 1.938 177.475 175.510 0.044 0.000 1.023 383 N CA 0.655 53.723 53.050 0.029 0.000 0.852 383 N CB -0.520 37.980 38.487 0.020 0.000 0.998 383 N HN 0.054 nan 8.380 nan 0.000 0.424 384 V N 2.062 121.996 119.914 0.033 0.000 2.255 384 V HA -0.181 3.938 4.120 -0.000 0.000 0.247 384 V C 2.379 178.532 176.094 0.099 0.000 1.051 384 V CA 1.508 63.835 62.300 0.045 0.000 1.018 384 V CB -0.434 31.390 31.823 0.001 0.000 0.641 384 V HN 0.226 nan 8.190 nan 0.000 0.445 385 E N 0.141 120.389 120.200 0.081 0.000 2.049 385 E HA -0.275 4.075 4.350 -0.000 0.000 0.198 385 E C 2.366 179.066 176.600 0.167 0.000 1.007 385 E CA 1.788 58.264 56.400 0.127 0.000 0.809 385 E CB -0.347 29.401 29.700 0.079 0.000 0.749 385 E HN 0.503 nan 8.360 nan 0.000 0.450 386 R N 0.422 120.990 120.500 0.114 0.000 2.094 386 R HA -0.169 4.171 4.340 -0.000 0.000 0.239 386 R C 2.469 178.854 176.300 0.140 0.000 1.137 386 R CA 1.873 58.038 56.100 0.107 0.000 0.943 386 R CB -0.374 29.972 30.300 0.076 0.000 0.850 386 R HN 0.024 nan 8.270 nan 0.000 0.433 387 V N 0.122 120.124 119.914 0.146 0.000 2.255 387 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 387 V C 2.008 178.252 176.094 0.251 0.000 1.051 387 V CA 2.098 64.498 62.300 0.166 0.000 1.018 387 V CB -0.747 31.145 31.823 0.114 0.000 0.641 387 V HN 0.432 nan 8.190 nan 0.000 0.445 388 Y N 1.215 121.611 120.300 0.160 0.000 2.097 388 Y HA -0.302 4.248 4.550 -0.000 0.000 0.282 388 Y C 2.541 178.592 175.900 0.251 0.000 1.152 388 Y CA 2.121 60.382 58.100 0.267 0.000 1.136 388 Y CB -0.325 38.249 38.460 0.190 0.000 0.975 388 Y HN 0.169 nan 8.280 nan 0.000 0.498 389 K N -0.615 119.895 120.400 0.183 0.000 2.103 389 K HA -0.250 4.070 4.320 -0.000 0.000 0.207 389 K C 2.196 178.782 176.600 -0.023 0.000 1.048 389 K CA 1.621 57.931 56.287 0.038 0.000 0.930 389 K CB -0.206 32.350 32.500 0.095 0.000 0.716 389 K HN 0.097 nan 8.250 nan 0.000 0.444 390 R N 0.209 120.745 120.500 0.060 0.000 2.153 390 R HA -0.114 4.226 4.340 -0.000 0.000 0.218 390 R C 1.664 178.004 176.300 0.067 0.000 1.072 390 R CA 0.916 57.046 56.100 0.049 0.000 0.990 390 R CB -0.689 29.690 30.300 0.130 0.000 0.889 390 R HN 0.347 nan 8.270 nan 0.000 0.452 391 W N 1.465 122.715 121.300 -0.083 0.000 2.358 391 W HA -0.110 4.550 4.660 -0.000 0.000 0.303 391 W C 1.483 177.885 176.519 -0.196 0.000 1.208 391 W CA 1.643 58.950 57.345 -0.063 0.000 1.274 391 W CB -0.267 29.168 29.460 -0.041 0.000 1.138 391 W HN 0.238 nan 8.180 nan 0.000 0.515 392 Q N -0.337 119.213 119.800 -0.416 0.000 2.123 392 Q HA -0.127 4.213 4.340 -0.000 0.000 0.199 392 Q C 2.159 177.913 176.000 -0.409 0.000 0.966 392 Q CA 0.906 56.367 55.803 -0.571 0.000 0.845 392 Q CB -0.370 28.047 28.738 -0.536 0.000 0.907 392 Q HN 0.076 nan 8.270 nan 0.000 0.439 393 R N 0.903 121.210 120.500 -0.322 0.000 2.261 393 R HA -0.041 4.298 4.340 -0.000 0.000 0.236 393 R C 0.042 176.094 176.300 -0.413 0.000 1.141 393 R CA 0.885 56.802 56.100 -0.306 0.000 1.001 393 R CB -0.091 30.061 30.300 -0.247 0.000 0.866 393 R HN 0.305 nan 8.270 nan 0.000 0.468 394 E N -0.643 119.224 120.200 -0.555 0.000 2.336 394 E HA 0.344 4.694 4.350 -0.000 0.000 0.267 394 E C -0.786 175.505 176.600 -0.515 0.000 0.906 394 E CA -0.636 55.324 56.400 -0.733 0.000 0.781 394 E CB 2.258 30.968 29.700 -1.649 0.000 1.261 394 E HN -0.246 nan 8.360 nan 0.000 0.436 395 K N 0.217 120.396 120.400 -0.370 0.000 2.208 395 K HA 0.518 4.838 4.320 -0.000 0.000 0.247 395 K C 0.369 176.967 176.600 -0.003 0.000 0.953 395 K CA 0.130 56.312 56.287 -0.176 0.000 0.837 395 K CB 1.494 33.915 32.500 -0.132 0.000 1.131 395 K HN 0.644 nan 8.250 nan 0.000 0.431 396 G N 1.948 110.798 108.800 0.083 0.000 2.284 396 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.247 396 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.247 396 G C -0.473 174.603 174.900 0.293 0.000 1.012 396 G CA 0.053 45.257 45.100 0.173 0.000 0.618 396 G HN 0.509 nan 8.290 nan 0.000 0.521 397 W N 2.239 123.552 121.300 0.021 0.000 2.150 397 W HA 0.595 5.255 4.660 -0.000 0.000 0.341 397 W C 1.153 177.763 176.519 0.151 0.000 1.276 397 W CA 0.422 57.812 57.345 0.075 0.000 1.238 397 W CB 0.415 29.967 29.460 0.153 0.000 1.128 397 W HN 0.478 nan 8.180 nan 0.000 0.581 398 T N -0.429 114.194 114.554 0.115 0.000 2.949 398 T HA 0.307 4.657 4.350 -0.000 0.000 0.287 398 T C 1.115 175.639 174.700 -0.294 0.000 1.034 398 T CA -0.840 61.106 62.100 -0.257 0.000 1.018 398 T CB 1.196 69.651 68.868 -0.688 0.000 1.135 398 T HN 0.309 nan 8.240 nan 0.000 0.532 399 M N 0.223 119.510 119.600 -0.522 0.000 2.082 399 M HA -0.127 4.353 4.480 -0.000 0.000 0.258 399 M C 2.446 178.593 176.300 -0.255 0.000 1.069 399 M CA 1.872 56.781 55.300 -0.652 0.000 1.102 399 M CB -1.080 31.242 32.600 -0.463 0.000 1.336 399 M HN 0.839 nan 8.290 nan 0.000 0.404 400 R N 0.281 120.707 120.500 -0.123 0.000 2.091 400 R HA -0.183 4.157 4.340 -0.000 0.000 0.238 400 R C 1.681 177.922 176.300 -0.099 0.000 1.136 400 R CA 1.977 58.048 56.100 -0.048 0.000 0.959 400 R CB -0.151 30.166 30.300 0.029 0.000 0.856 400 R HN 0.303 nan 8.270 nan 0.000 0.437 401 D N 0.080 120.386 120.400 -0.156 0.000 2.116 401 D HA -0.188 4.451 4.640 -0.000 0.000 0.193 401 D C 1.686 177.859 176.300 -0.211 0.000 0.998 401 D CA 1.823 55.656 54.000 -0.278 0.000 0.836 401 D CB -0.316 40.259 40.800 -0.375 0.000 0.951 401 D HN 0.433 nan 8.370 nan 0.000 0.449 402 A N 0.726 123.586 122.820 0.066 0.000 1.929 402 A HA 0.062 4.381 4.320 -0.000 0.000 0.216 402 A C 2.285 179.945 177.584 0.126 0.000 1.176 402 A CA 1.923 54.130 52.037 0.284 0.000 0.628 402 A CB -0.581 18.660 19.000 0.401 0.000 0.816 402 A HN 0.229 nan 8.150 nan 0.000 0.444 403 A N 0.339 123.176 122.820 0.029 0.000 1.865 403 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 403 A C 2.113 179.703 177.584 0.011 0.000 1.191 403 A CA 1.628 53.679 52.037 0.023 0.000 0.623 403 A CB -0.667 18.335 19.000 0.004 0.000 0.826 403 A HN 0.488 nan 8.150 nan 0.000 0.444 404 I N -0.378 120.159 120.570 -0.054 0.000 2.142 404 I HA -0.230 3.940 4.170 -0.000 0.000 0.240 404 I C 2.363 178.457 176.117 -0.038 0.000 1.078 404 I CA 1.357 62.592 61.300 -0.110 0.000 1.343 404 I CB -0.422 37.404 38.000 -0.290 0.000 1.046 404 I HN 0.162 nan 8.210 nan 0.000 0.405 405 V N 0.360 120.268 119.914 -0.009 0.000 2.343 405 V HA -0.282 3.837 4.120 -0.000 0.000 0.247 405 V C 2.483 178.689 176.094 0.188 0.000 1.051 405 V CA 2.434 64.814 62.300 0.133 0.000 1.036 405 V CB -1.078 30.841 31.823 0.161 0.000 0.654 405 V HN 0.474 nan 8.190 nan 0.000 0.451 406 T N 0.354 115.001 114.554 0.154 0.000 2.803 406 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 406 T C 1.971 176.732 174.700 0.102 0.000 1.052 406 T CA 1.670 63.854 62.100 0.139 0.000 1.136 406 T CB -0.328 68.611 68.868 0.117 0.000 0.864 406 T HN 0.602 nan 8.240 nan 0.000 0.467 407 A N 1.089 123.953 122.820 0.074 0.000 1.898 407 A HA 0.138 4.458 4.320 -0.000 0.000 0.214 407 A C 2.117 179.736 177.584 0.059 0.000 1.183 407 A CA 0.666 52.733 52.037 0.051 0.000 0.622 407 A CB -0.507 18.509 19.000 0.027 0.000 0.824 407 A HN 0.321 nan 8.150 nan 0.000 0.444 408 L N 0.235 121.495 121.223 0.062 0.000 2.191 408 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 408 L C 2.243 179.083 176.870 -0.050 0.000 1.103 408 L CA 1.729 56.597 54.840 0.048 0.000 0.769 408 L CB -1.411 40.647 42.059 -0.002 0.000 0.908 408 L HN 0.531 nan 8.230 nan 0.000 0.438 409 E N -0.548 119.705 120.200 0.090 0.000 2.047 409 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 409 E C 2.302 178.953 176.600 0.084 0.000 0.987 409 E CA 0.798 57.299 56.400 0.169 0.000 0.799 409 E CB 0.024 29.881 29.700 0.262 0.000 0.752 409 E HN 0.283 nan 8.360 nan 0.000 0.449 410 R N 0.652 121.186 120.500 0.056 0.000 2.091 410 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 410 R C 2.220 178.504 176.300 -0.026 0.000 1.136 410 R CA 1.244 57.351 56.100 0.011 0.000 0.959 410 R CB -0.170 30.134 30.300 0.007 0.000 0.856 410 R HN 0.174 nan 8.270 nan 0.000 0.437 411 I N -0.475 120.099 120.570 0.007 0.000 2.163 411 I HA -0.280 3.889 4.170 -0.000 0.000 0.240 411 I C 2.223 178.314 176.117 -0.043 0.000 1.081 411 I CA 1.160 62.472 61.300 0.020 0.000 1.353 411 I CB -0.561 37.535 38.000 0.159 0.000 1.054 411 I HN 0.198 nan 8.210 nan 0.000 0.407 412 Y N 2.214 122.325 120.300 -0.315 0.000 2.114 412 Y HA -0.337 4.212 4.550 -0.000 0.000 0.282 412 Y C 2.245 177.941 175.900 -0.340 0.000 1.165 412 Y CA 1.971 59.647 58.100 -0.707 0.000 1.148 412 Y CB -0.819 36.872 38.460 -1.281 0.000 0.972 412 Y HN 0.203 nan 8.280 nan 0.000 0.504 413 N N -0.265 118.270 118.700 -0.276 0.000 2.061 413 N HA -0.257 4.483 4.740 -0.000 0.000 0.193 413 N C 1.996 177.329 175.510 -0.296 0.000 1.030 413 N CA 1.095 53.984 53.050 -0.268 0.000 0.856 413 N CB -0.402 38.028 38.487 -0.095 0.000 1.023 413 N HN 0.488 nan 8.380 nan 0.000 0.424 414 A N 1.226 123.892 122.820 -0.257 0.000 1.933 414 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 414 A C 2.159 179.492 177.584 -0.417 0.000 1.175 414 A CA 1.206 53.065 52.037 -0.296 0.000 0.628 414 A CB -0.435 18.397 19.000 -0.280 0.000 0.814 414 A HN 0.221 nan 8.150 nan 0.000 0.444 415 M N -0.858 118.485 119.600 -0.428 0.000 2.213 415 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 415 M C 1.997 178.116 176.300 -0.302 0.000 1.062 415 M CA 1.225 56.269 55.300 -0.426 0.000 1.105 415 M CB -0.232 32.273 32.600 -0.159 0.000 1.385 415 M HN 0.236 nan 8.290 nan 0.000 0.417 416 K N 0.680 120.850 120.400 -0.383 0.000 2.007 416 K HA 0.011 4.331 4.320 -0.000 0.000 0.206 416 K C 1.730 178.221 176.600 -0.182 0.000 1.047 416 K CA 1.316 57.423 56.287 -0.300 0.000 0.937 416 K CB -0.583 31.653 32.500 -0.440 0.000 0.718 416 K HN 0.392 nan 8.250 nan 0.000 0.438 417 I N 0.986 121.436 120.570 -0.200 0.000 2.567 417 I HA -0.218 3.952 4.170 -0.000 0.000 0.257 417 I C 2.254 178.307 176.117 -0.108 0.000 1.184 417 I CA 0.969 62.188 61.300 -0.135 0.000 1.451 417 I CB -0.130 37.789 38.000 -0.136 0.000 1.089 417 I HN 0.089 nan 8.210 nan 0.000 0.441 418 R N 0.595 120.999 120.500 -0.160 0.000 2.246 418 R HA 0.105 4.445 4.340 -0.000 0.000 0.199 418 R C 1.395 177.775 176.300 0.134 0.000 0.984 418 R CA 0.844 56.887 56.100 -0.095 0.000 1.015 418 R CB 0.278 30.313 30.300 -0.443 0.000 0.930 418 R HN 0.473 nan 8.270 nan 0.000 0.475 419 G N -0.069 108.798 108.800 0.111 0.000 2.131 419 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.223 419 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.223 419 G C 0.161 175.240 174.900 0.299 0.000 0.990 419 G CA 0.066 45.267 45.100 0.169 0.000 0.671 419 G HN 0.295 nan 8.290 nan 0.000 0.521 420 W N -0.072 121.208 121.300 -0.034 0.000 2.770 420 W HA 0.569 5.229 4.660 -0.000 0.000 0.256 420 W C 1.565 178.087 176.519 0.005 0.000 1.291 420 W CA 0.151 57.488 57.345 -0.014 0.000 1.396 420 W CB -0.019 29.433 29.460 -0.014 0.000 1.114 420 W HN 0.296 nan 8.180 nan 0.000 0.637 421 I N 0.000 120.693 120.570 0.205 0.000 2.984 421 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 421 I CA 0.000 61.386 61.300 0.144 0.000 1.566 421 I CB 0.000 38.085 38.000 0.142 0.000 1.214 421 I HN 0.000 nan 8.210 nan 0.000 0.494