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 2exi_1_D DATA FIRST_RESID 3 DATA SEQUENCE KIKNPILTGF HPGPSICRVG DDYYIAVSTF EWFPGVRIYH SKDLKNWRLV DATA SEQUENCE ARPLNRLSQL NMIGNPDSGG VWAPHLSYSD GKFWLIYTDV KVVEGQWKDG DATA SEQUENCE HNYLVTCDTI DGAWSDPIYL NSSGFDPSLF HDEDGRKYLV NMYWDHRVDH DATA SEQUENCE HPFYGIVLQE YSVEQKKLVG EPKIIFKGTD LRITEGPHLY KINGYYYLLT DATA SEQUENCE AEGGTRYNHA ATIARSTSLY GPYEVHPDNP LLTSWPYPRN PLQKAGHASI DATA SEQUENCE VHTHTDEWFL VHLTGRPLPR EGQPLLEHRG YCPLGRETAI QRLEWKDGWP DATA SEQUENCE YVVGGNGPSL EIDGPSVEEV SWEKDYDEKD DFDGDTLNHH FQTLRIPLGE DATA SEQUENCE DIATLKARPG HLRLYGRESL TSRFTQAFVA RRWQHFHFVA ETKVSFRPTT DATA SEQUENCE FQQSAGLVNY YNTQNWTTLQ ITWHEEKGRI LELMTCDHLV VDQPLRGREI DATA SEQUENCE VVPDDIEYVY LRVTVQATTY KYSYSFDGMN WIDLPVTFES YKLSDDYIKS DATA SEQUENCE RAAFTGAFVG MHCRDGSGQN NYADFDYFLY KEL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.609 176.600 0.015 0.000 0.988 3 K CA 0.000 56.295 56.287 0.013 0.000 0.838 3 K CB 0.000 32.508 32.500 0.013 0.000 1.064 4 I N 3.192 123.782 120.570 0.035 0.000 2.355 4 I HA 0.268 4.439 4.170 0.000 0.000 0.288 4 I C -0.552 175.599 176.117 0.057 0.000 0.999 4 I CA -0.593 60.733 61.300 0.044 0.000 1.163 4 I CB 1.590 39.621 38.000 0.051 0.000 1.316 4 I HN 0.047 nan 8.210 nan 0.000 0.454 5 K N 5.883 126.315 120.400 0.053 0.000 2.211 5 K HA 0.319 4.639 4.320 0.000 0.000 0.275 5 K C -0.443 176.190 176.600 0.053 0.000 1.024 5 K CA -0.645 55.676 56.287 0.056 0.000 0.887 5 K CB 0.835 33.368 32.500 0.055 0.000 1.084 5 K HN 0.507 nan 8.250 nan 0.000 0.463 6 N N 3.795 122.529 118.700 0.056 0.000 2.513 6 N HA 0.285 5.025 4.740 0.000 0.000 0.274 6 N C -2.498 173.037 175.510 0.041 0.000 1.189 6 N CA -1.364 51.708 53.050 0.037 0.000 0.975 6 N CB 0.930 39.450 38.487 0.056 0.000 1.157 6 N HN 0.401 nan 8.380 nan 0.000 0.465 7 P HA 0.243 nan 4.420 nan 0.000 0.279 7 P C 0.947 178.178 177.300 -0.115 0.000 1.239 7 P CA -0.400 62.657 63.100 -0.072 0.000 0.789 7 P CB 0.666 32.313 31.700 -0.089 0.000 0.933 8 I N -0.306 120.158 120.570 -0.177 0.000 2.439 8 I HA 0.039 4.209 4.170 0.000 0.000 0.251 8 I C 0.116 175.990 176.117 -0.406 0.000 1.139 8 I CA 1.107 62.285 61.300 -0.203 0.000 1.438 8 I CB -0.369 37.506 38.000 -0.208 0.000 1.085 8 I HN 0.082 nan 8.210 nan 0.000 0.427 9 L N 2.911 123.792 121.223 -0.570 0.000 2.342 9 L HA 0.452 4.792 4.340 0.000 0.000 0.276 9 L C -0.063 176.434 176.870 -0.620 0.000 0.997 9 L CA -0.544 53.773 54.840 -0.871 0.000 0.838 9 L CB 1.661 42.914 42.059 -1.343 0.000 1.224 9 L HN 0.173 nan 8.230 nan 0.000 0.416 10 T N -0.438 113.831 114.554 -0.476 0.000 2.943 10 T HA 0.839 5.189 4.350 0.000 0.000 0.284 10 T C 0.505 175.140 174.700 -0.109 0.000 1.015 10 T CA 0.053 62.005 62.100 -0.246 0.000 1.042 10 T CB 1.958 70.667 68.868 -0.264 0.000 1.055 10 T HN 1.000 nan 8.240 nan 0.000 0.500 11 G N 1.261 110.010 108.800 -0.086 0.000 2.804 11 G HA2 -0.131 3.829 3.960 0.000 0.000 0.230 11 G HA3 -0.131 3.829 3.960 0.000 0.000 0.230 11 G C -0.335 174.629 174.900 0.106 0.000 1.386 11 G CA -0.332 44.746 45.100 -0.037 0.000 0.875 11 G HN 1.559 nan 8.290 nan 0.000 0.557 12 F N 2.191 122.011 119.950 -0.216 0.000 2.408 12 F HA 0.373 4.900 4.527 0.000 0.000 0.361 12 F C 0.735 176.274 175.800 -0.436 0.000 1.108 12 F CA 0.329 58.190 58.000 -0.232 0.000 0.982 12 F CB -0.699 38.161 39.000 -0.235 0.000 0.980 12 F HN 0.512 nan 8.300 nan 0.000 0.557 13 H N 5.300 124.232 119.070 -0.229 0.000 2.514 13 H HA 0.328 4.884 4.556 0.000 0.000 0.226 13 H C -2.617 172.611 175.328 -0.166 0.000 1.421 13 H CA -1.463 54.397 56.048 -0.314 0.000 1.394 13 H CB 0.420 29.999 29.762 -0.304 0.000 1.701 13 H HN 0.340 nan 8.280 nan 0.000 0.515 14 P HA 0.258 nan 4.420 nan 0.000 0.281 14 P C 0.660 177.971 177.300 0.020 0.000 1.281 14 P CA -0.334 62.805 63.100 0.065 0.000 0.811 14 P CB 0.964 32.790 31.700 0.210 0.000 1.154 15 G N 0.087 108.867 108.800 -0.033 0.000 2.372 15 G HA2 -0.141 3.820 3.960 0.000 0.000 0.297 15 G HA3 -0.141 3.820 3.960 0.000 0.000 0.297 15 G C -2.345 172.611 174.900 0.093 0.000 1.005 15 G CA -0.569 44.468 45.100 -0.105 0.000 1.173 15 G HN 0.438 nan 8.290 nan 0.000 0.511 16 P HA 0.390 nan 4.420 nan 0.000 0.276 16 P C -0.190 177.240 177.300 0.217 0.000 1.235 16 P CA 0.129 63.301 63.100 0.119 0.000 0.772 16 P CB 1.909 33.630 31.700 0.035 0.000 0.871 17 S N 4.023 119.842 115.700 0.200 0.000 2.530 17 S HA 0.520 4.990 4.470 0.000 0.000 0.322 17 S C -0.533 174.192 174.600 0.209 0.000 1.085 17 S CA -0.884 57.456 58.200 0.233 0.000 1.096 17 S CB -0.032 63.335 63.200 0.278 0.000 0.988 17 S HN 0.421 nan 8.310 nan 0.000 0.466 18 I N 4.581 125.293 120.570 0.238 0.000 2.460 18 I HA 0.629 4.799 4.170 0.000 0.000 0.298 18 I C -0.872 175.457 176.117 0.354 0.000 0.989 18 I CA -0.585 60.896 61.300 0.301 0.000 1.173 18 I CB 1.239 39.422 38.000 0.304 0.000 1.338 18 I HN 0.783 nan 8.210 nan 0.000 0.456 19 C N 8.052 127.606 119.300 0.424 0.000 2.446 19 C HA 0.493 4.953 4.460 0.000 0.000 0.329 19 C C -0.365 174.889 174.990 0.439 0.000 1.166 19 C CA -0.636 58.640 59.018 0.431 0.000 1.341 19 C CB 1.164 29.175 27.740 0.451 0.000 1.970 19 C HN 0.930 nan 8.230 nan 0.000 0.452 20 R N 4.354 125.040 120.500 0.310 0.000 2.312 20 R HA 0.706 5.046 4.340 0.000 0.000 0.311 20 R C -1.377 174.930 176.300 0.011 0.000 1.004 20 R CA -0.245 55.889 56.100 0.057 0.000 0.902 20 R CB 1.044 31.380 30.300 0.060 0.000 1.073 20 R HN 0.640 nan 8.270 nan 0.000 0.457 21 V N 6.043 125.888 119.914 -0.114 0.000 2.305 21 V HA 0.343 4.464 4.120 0.000 0.000 0.275 21 V C 1.039 176.962 176.094 -0.286 0.000 1.020 21 V CA 0.248 62.403 62.300 -0.241 0.000 0.811 21 V CB 0.541 32.151 31.823 -0.354 0.000 1.031 21 V HN 1.189 nan 8.190 nan 0.000 0.439 22 G N 4.822 113.469 108.800 -0.255 0.000 2.815 22 G HA2 -0.350 3.610 3.960 0.000 0.000 0.326 22 G HA3 -0.350 3.610 3.960 0.000 0.000 0.326 22 G C 0.645 175.301 174.900 -0.405 0.000 1.191 22 G CA 0.825 45.770 45.100 -0.259 0.000 0.965 22 G HN 0.916 nan 8.290 nan 0.000 0.564 23 D N 1.088 121.211 120.400 -0.461 0.000 2.513 23 D HA 0.220 4.860 4.640 0.000 0.000 0.222 23 D C -0.379 175.706 176.300 -0.358 0.000 1.210 23 D CA 0.174 53.821 54.000 -0.589 0.000 0.825 23 D CB 0.085 40.472 40.800 -0.689 0.000 1.037 23 D HN 0.437 nan 8.370 nan 0.000 0.506 24 D N 0.326 120.470 120.400 -0.426 0.000 2.198 24 D HA 0.289 4.929 4.640 0.000 0.000 0.247 24 D C -0.861 175.048 176.300 -0.651 0.000 1.010 24 D CA -0.244 53.585 54.000 -0.285 0.000 0.880 24 D CB 1.533 42.288 40.800 -0.076 0.000 1.209 24 D HN 0.060 nan 8.370 nan 0.000 0.451 25 Y N 0.631 120.766 120.300 -0.277 0.000 2.373 25 Y HA 0.333 4.883 4.550 0.000 0.000 0.336 25 Y C -0.775 175.026 175.900 -0.164 0.000 0.979 25 Y CA -0.887 57.138 58.100 -0.125 0.000 1.080 25 Y CB 1.435 39.859 38.460 -0.061 0.000 1.190 25 Y HN 0.227 nan 8.280 nan 0.000 0.446 26 Y N 3.170 123.780 120.300 0.517 0.000 2.425 26 Y HA 0.690 5.240 4.550 0.000 0.000 0.344 26 Y C -0.519 175.632 175.900 0.417 0.000 0.969 26 Y CA -1.137 57.250 58.100 0.478 0.000 1.052 26 Y CB 1.774 40.403 38.460 0.281 0.000 1.215 26 Y HN 0.377 nan 8.280 nan 0.000 0.451 27 I N 2.815 123.666 120.570 0.468 0.000 2.389 27 I HA 0.641 4.811 4.170 0.000 0.000 0.288 27 I C -0.448 175.787 176.117 0.198 0.000 0.999 27 I CA -0.863 60.553 61.300 0.194 0.000 1.129 27 I CB 1.586 39.483 38.000 -0.172 0.000 1.288 27 I HN 0.739 nan 8.210 nan 0.000 0.444 28 A N 6.754 129.665 122.820 0.152 0.000 2.290 28 A HA 0.793 5.113 4.320 0.000 0.000 0.310 28 A C -0.347 177.282 177.584 0.075 0.000 1.202 28 A CA -0.474 51.618 52.037 0.091 0.000 0.837 28 A CB 1.061 20.091 19.000 0.051 0.000 1.139 28 A HN 0.594 nan 8.150 nan 0.000 0.509 29 V N 0.535 120.474 119.914 0.043 0.000 3.046 29 V HA 0.859 4.979 4.120 0.000 0.000 0.316 29 V C 0.172 176.227 176.094 -0.064 0.000 1.104 29 V CA -0.390 61.909 62.300 -0.000 0.000 1.006 29 V CB 1.410 33.231 31.823 -0.004 0.000 1.058 29 V HN 1.119 nan 8.190 nan 0.000 0.440 30 S N 1.049 116.704 115.700 -0.075 0.000 2.592 30 S HA 0.474 4.944 4.470 0.000 0.000 0.271 30 S C 0.740 175.297 174.600 -0.071 0.000 1.326 30 S CA 0.204 58.349 58.200 -0.093 0.000 1.024 30 S CB 1.020 64.135 63.200 -0.141 0.000 0.921 30 S HN 1.392 nan 8.310 nan 0.000 0.527 31 T N -2.157 112.436 114.554 0.066 0.000 3.016 31 T HA 0.326 4.676 4.350 0.000 0.000 0.271 31 T C 0.534 175.658 174.700 0.707 0.000 0.968 31 T CA -0.267 62.029 62.100 0.327 0.000 0.891 31 T CB -0.811 68.134 68.868 0.129 0.000 1.149 31 T HN 0.517 nan 8.240 nan 0.000 0.524 32 F N 2.728 122.920 119.950 0.402 0.000 2.640 32 F HA -0.350 4.177 4.527 0.000 0.000 0.227 32 F C 1.817 177.758 175.800 0.234 0.000 1.481 32 F CA 2.083 60.299 58.000 0.360 0.000 1.964 32 F CB -1.059 38.144 39.000 0.339 0.000 0.564 32 F HN 0.343 nan 8.300 nan 0.000 0.224 33 E N 0.580 120.965 120.200 0.308 0.000 2.489 33 E HA -0.008 4.342 4.350 0.000 0.000 0.193 33 E C -0.212 176.303 176.600 -0.142 0.000 1.057 33 E CA 0.360 56.762 56.400 0.003 0.000 0.866 33 E CB -0.393 29.208 29.700 -0.166 0.000 0.916 33 E HN 0.506 nan 8.360 nan 0.000 0.500 34 W N 1.029 122.395 121.300 0.111 0.000 2.316 34 W HA 0.394 5.054 4.660 0.000 0.000 0.311 34 W C -0.227 176.353 176.519 0.101 0.000 1.217 34 W CA -0.785 56.591 57.345 0.053 0.000 1.199 34 W CB 0.486 29.968 29.460 0.038 0.000 1.202 34 W HN -0.119 nan 8.180 nan 0.000 0.528 35 F N 6.334 126.383 119.950 0.166 0.000 2.450 35 F HA 0.521 5.048 4.527 0.000 0.000 0.332 35 F C -1.633 174.214 175.800 0.078 0.000 1.093 35 F CA -2.801 55.241 58.000 0.070 0.000 1.003 35 F CB 1.116 40.115 39.000 -0.001 0.000 1.151 35 F HN 0.097 nan 8.300 nan 0.000 0.474 36 P HA 0.199 nan 4.420 nan 0.000 0.274 36 P C -0.709 176.206 177.300 -0.642 0.000 1.260 36 P CA -0.303 62.076 63.100 -1.201 0.000 0.793 36 P CB 0.587 31.831 31.700 -0.759 0.000 1.048 37 G N -0.669 107.720 108.800 -0.685 0.000 2.372 37 G HA2 0.487 4.447 3.960 0.000 0.000 0.283 37 G HA3 0.487 4.447 3.960 0.000 0.000 0.283 37 G C -0.668 174.006 174.900 -0.377 0.000 1.177 37 G CA -0.528 44.336 45.100 -0.394 0.000 0.842 37 G HN 0.441 nan 8.290 nan 0.000 0.503 38 V N 0.682 120.441 119.914 -0.258 0.000 3.478 38 V HA -0.193 3.927 4.120 0.000 0.000 0.498 38 V C 0.074 176.019 176.094 -0.248 0.000 0.682 38 V CA 0.258 62.411 62.300 -0.244 0.000 2.047 38 V CB -0.744 30.891 31.823 -0.313 0.000 2.481 38 V HN 1.100 nan 8.190 nan 0.000 0.507 39 R N 4.291 124.680 120.500 -0.184 0.000 2.445 39 R HA 0.820 5.160 4.340 0.000 0.000 0.308 39 R C -0.530 175.688 176.300 -0.136 0.000 0.961 39 R CA -0.743 55.235 56.100 -0.205 0.000 0.862 39 R CB 1.916 32.124 30.300 -0.152 0.000 1.144 39 R HN 0.672 nan 8.270 nan 0.000 0.447 40 I N 3.211 123.647 120.570 -0.222 0.000 2.406 40 I HA 0.347 4.517 4.170 0.000 0.000 0.290 40 I C -0.939 175.108 176.117 -0.116 0.000 0.999 40 I CA -0.931 60.332 61.300 -0.062 0.000 1.124 40 I CB 1.267 39.238 38.000 -0.049 0.000 1.289 40 I HN 0.431 nan 8.210 nan 0.000 0.441 41 Y N 4.088 124.475 120.300 0.144 0.000 2.409 41 Y HA 0.428 4.979 4.550 0.000 0.000 0.339 41 Y C 0.145 176.335 175.900 0.484 0.000 1.033 41 Y CA -0.548 57.700 58.100 0.247 0.000 1.094 41 Y CB 1.360 39.949 38.460 0.215 0.000 1.210 41 Y HN 0.485 nan 8.280 nan 0.000 0.456 42 H N 1.078 120.352 119.070 0.340 0.000 2.529 42 H HA 0.712 5.268 4.556 0.000 0.000 0.348 42 H C -1.343 173.901 175.328 -0.141 0.000 1.152 42 H CA -0.380 55.687 56.048 0.031 0.000 1.202 42 H CB 2.163 31.821 29.762 -0.173 0.000 1.562 42 H HN 0.665 nan 8.280 nan 0.000 0.515 43 S N 2.347 117.421 115.700 -1.043 0.000 2.550 43 S HA 0.273 4.743 4.470 0.000 0.000 0.270 43 S C -0.083 174.130 174.600 -0.645 0.000 1.145 43 S CA -0.766 56.861 58.200 -0.955 0.000 0.852 43 S CB 1.688 63.765 63.200 -1.873 0.000 1.119 43 S HN 0.759 nan 8.310 nan 0.000 0.465 44 K N 1.120 121.326 120.400 -0.324 0.000 2.367 44 K HA 0.158 4.478 4.320 0.000 0.000 0.195 44 K C -0.066 176.436 176.600 -0.162 0.000 1.060 44 K CA 0.697 56.913 56.287 -0.119 0.000 1.022 44 K CB 0.276 32.728 32.500 -0.081 0.000 0.894 44 K HN 0.781 nan 8.250 nan 0.000 0.540 45 D N -0.759 119.434 120.400 -0.345 0.000 2.520 45 D HA 0.076 4.716 4.640 0.000 0.000 0.223 45 D C 0.725 176.767 176.300 -0.431 0.000 1.186 45 D CA -0.271 53.525 54.000 -0.340 0.000 0.821 45 D CB -0.103 40.526 40.800 -0.285 0.000 1.072 45 D HN -0.004 nan 8.370 nan 0.000 0.518 46 L N -1.046 119.838 121.223 -0.565 0.000 4.884 46 L HA -0.334 4.006 4.340 0.000 0.000 0.430 46 L C 1.550 178.353 176.870 -0.111 0.000 1.087 46 L CA 1.440 56.042 54.840 -0.396 0.000 1.033 46 L CB -1.306 40.488 42.059 -0.442 0.000 2.030 46 L HN 0.275 nan 8.230 nan 0.000 0.762 47 K N 0.199 120.445 120.400 -0.256 0.000 2.273 47 K HA 0.131 4.451 4.320 0.000 0.000 0.206 47 K C 0.674 177.254 176.600 -0.033 0.000 1.072 47 K CA 0.147 56.400 56.287 -0.057 0.000 0.953 47 K CB 0.473 32.914 32.500 -0.099 0.000 1.043 47 K HN 0.259 nan 8.250 nan 0.000 0.477 48 N N 0.475 119.032 118.700 -0.239 0.000 2.456 48 N HA 0.128 4.868 4.740 0.000 0.000 0.288 48 N C -1.446 174.008 175.510 -0.093 0.000 1.059 48 N CA -0.077 52.937 53.050 -0.060 0.000 0.946 48 N CB 0.849 39.245 38.487 -0.152 0.000 1.150 48 N HN 0.127 nan 8.380 nan 0.000 0.479 49 W N 1.340 122.822 121.300 0.303 0.000 2.839 49 W HA 0.397 5.057 4.660 0.000 0.000 0.334 49 W C 0.136 176.764 176.519 0.183 0.000 1.064 49 W CA -0.938 56.531 57.345 0.206 0.000 1.236 49 W CB 1.454 30.920 29.460 0.011 0.000 1.405 49 W HN 0.318 nan 8.180 nan 0.000 0.478 50 R N 2.150 122.722 120.500 0.120 0.000 2.670 50 R HA 0.778 5.118 4.340 0.000 0.000 0.289 50 R C -1.167 175.157 176.300 0.039 0.000 0.965 50 R CA -1.229 54.871 56.100 -0.000 0.000 0.899 50 R CB 1.658 31.651 30.300 -0.511 0.000 1.173 50 R HN 0.516 nan 8.270 nan 0.000 0.456 51 L N 4.058 125.187 121.223 -0.157 0.000 2.456 51 L HA 0.057 4.397 4.340 0.000 0.000 0.277 51 L C 0.550 177.184 176.870 -0.394 0.000 1.124 51 L CA 0.242 54.682 54.840 -0.668 0.000 0.880 51 L CB 1.395 42.855 42.059 -0.997 0.000 1.192 51 L HN 0.797 nan 8.230 nan 0.000 0.463 52 V N 2.262 122.012 119.914 -0.273 0.000 3.523 52 V HA 0.697 4.817 4.120 0.000 0.000 0.255 52 V C 0.684 176.698 176.094 -0.134 0.000 1.226 52 V CA 0.526 62.741 62.300 -0.141 0.000 1.092 52 V CB -0.600 31.202 31.823 -0.035 0.000 0.817 52 V HN 0.877 nan 8.190 nan 0.000 0.458 53 A N 0.396 123.102 122.820 -0.190 0.000 2.594 53 A HA 0.869 5.189 4.320 0.000 0.000 0.295 53 A C -0.581 176.865 177.584 -0.231 0.000 1.071 53 A CA -0.880 51.068 52.037 -0.148 0.000 0.685 53 A CB 1.502 20.464 19.000 -0.062 0.000 1.285 53 A HN 0.289 nan 8.150 nan 0.000 0.405 54 R N 2.055 122.429 120.500 -0.210 0.000 2.585 54 R HA 0.293 4.633 4.340 0.000 0.000 0.278 54 R C -2.335 173.767 176.300 -0.330 0.000 1.663 54 R CA -1.442 54.492 56.100 -0.277 0.000 1.592 54 R CB 1.292 31.450 30.300 -0.237 0.000 1.200 54 R HN 0.439 nan 8.270 nan 0.000 0.611 55 P HA -0.146 nan 4.420 nan 0.000 0.215 55 P C 0.067 177.035 177.300 -0.553 0.000 1.153 55 P CA 1.083 63.736 63.100 -0.746 0.000 0.853 55 P CB 0.311 31.084 31.700 -1.545 0.000 0.788 56 L N 0.745 121.624 121.223 -0.573 0.000 2.389 56 L HA 0.239 4.580 4.340 0.000 0.000 0.265 56 L C 0.596 177.164 176.870 -0.503 0.000 1.167 56 L CA -0.234 54.292 54.840 -0.523 0.000 1.045 56 L CB -0.574 41.089 42.059 -0.659 0.000 1.351 56 L HN 0.038 nan 8.230 nan 0.000 0.419 57 N N 0.474 119.000 118.700 -0.290 0.000 2.177 57 N HA 0.085 4.825 4.740 0.000 0.000 0.218 57 N C 0.141 175.748 175.510 0.161 0.000 1.182 57 N CA -0.437 52.509 53.050 -0.173 0.000 0.882 57 N CB 0.579 38.995 38.487 -0.118 0.000 1.052 57 N HN 0.307 nan 8.380 nan 0.000 0.519 58 R N 0.161 120.729 120.500 0.114 0.000 2.514 58 R HA 0.388 4.728 4.340 0.000 0.000 0.301 58 R C 0.465 176.849 176.300 0.140 0.000 0.962 58 R CA -0.782 55.394 56.100 0.128 0.000 0.882 58 R CB 1.865 32.200 30.300 0.059 0.000 1.143 58 R HN 0.001 nan 8.270 nan 0.000 0.452 59 L N 1.288 122.568 121.223 0.095 0.000 2.189 59 L HA -0.267 4.074 4.340 0.000 0.000 0.214 59 L C 2.393 179.276 176.870 0.023 0.000 1.097 59 L CA 1.856 56.720 54.840 0.040 0.000 0.764 59 L CB -0.310 41.734 42.059 -0.025 0.000 0.900 59 L HN 0.763 nan 8.230 nan 0.000 0.436 60 S N -1.166 114.546 115.700 0.020 0.000 2.423 60 S HA -0.224 4.246 4.470 0.000 0.000 0.231 60 S C 1.818 176.415 174.600 -0.005 0.000 1.014 60 S CA 0.998 59.203 58.200 0.007 0.000 0.965 60 S CB -0.214 62.995 63.200 0.016 0.000 0.785 60 S HN 0.540 nan 8.310 nan 0.000 0.495 61 Q N -0.292 119.511 119.800 0.005 0.000 2.204 61 Q HA 0.400 4.740 4.340 0.000 0.000 0.198 61 Q C -0.375 175.605 176.000 -0.034 0.000 0.946 61 Q CA 0.473 56.268 55.803 -0.015 0.000 0.859 61 Q CB 0.185 28.882 28.738 -0.070 0.000 0.946 61 Q HN 0.464 nan 8.270 nan 0.000 0.474 62 L N 1.223 122.455 121.223 0.015 0.000 2.555 62 L HA 0.407 4.747 4.340 0.000 0.000 0.264 62 L C -1.946 175.001 176.870 0.129 0.000 0.972 62 L CA -0.388 54.495 54.840 0.071 0.000 0.876 62 L CB 1.837 43.923 42.059 0.046 0.000 1.216 62 L HN -0.109 nan 8.230 nan 0.000 0.415 63 N N 5.498 124.235 118.700 0.062 0.000 2.626 63 N HA 0.418 5.158 4.740 0.000 0.000 0.249 63 N C -0.357 175.168 175.510 0.026 0.000 1.021 63 N CA -0.235 52.829 53.050 0.023 0.000 0.886 63 N CB 0.910 39.396 38.487 -0.002 0.000 1.149 63 N HN 0.702 nan 8.380 nan 0.000 0.517 64 M N 2.579 122.185 119.600 0.011 0.000 2.484 64 M HA 0.233 4.714 4.480 0.000 0.000 0.307 64 M C 0.390 176.644 176.300 -0.076 0.000 1.149 64 M CA -0.702 54.598 55.300 0.000 0.000 0.972 64 M CB 0.255 32.881 32.600 0.044 0.000 1.400 64 M HN 0.390 nan 8.290 nan 0.000 0.508 65 I N 1.683 122.204 120.570 -0.082 0.000 2.821 65 I HA 0.038 4.208 4.170 0.000 0.000 0.294 65 I C 1.293 177.294 176.117 -0.194 0.000 1.210 65 I CA 1.620 62.854 61.300 -0.110 0.000 1.430 65 I CB 0.219 38.215 38.000 -0.008 0.000 1.356 65 I HN 0.672 nan 8.210 nan 0.000 0.563 66 G N 4.207 112.684 108.800 -0.539 0.000 2.184 66 G HA2 -0.338 3.622 3.960 0.000 0.000 0.264 66 G HA3 -0.338 3.622 3.960 0.000 0.000 0.264 66 G C 0.478 175.127 174.900 -0.417 0.000 0.975 66 G CA 0.232 44.819 45.100 -0.856 0.000 0.642 66 G HN 0.720 nan 8.290 nan 0.000 0.536 67 N N 2.257 120.810 118.700 -0.245 0.000 2.353 67 N HA 0.316 5.056 4.740 0.000 0.000 0.248 67 N C -1.674 173.767 175.510 -0.115 0.000 1.240 67 N CA -0.443 52.537 53.050 -0.117 0.000 0.862 67 N CB 0.708 39.169 38.487 -0.044 0.000 1.086 67 N HN 0.299 nan 8.380 nan 0.000 0.453 68 P HA 0.059 nan 4.420 nan 0.000 0.272 68 P C -0.764 176.540 177.300 0.007 0.000 1.230 68 P CA -0.257 62.832 63.100 -0.017 0.000 0.788 68 P CB 0.578 32.295 31.700 0.028 0.000 0.949 69 D N 0.624 121.015 120.400 -0.016 0.000 2.525 69 D HA -0.020 4.620 4.640 0.000 0.000 0.235 69 D C 0.809 177.129 176.300 0.033 0.000 1.137 69 D CA 0.900 54.884 54.000 -0.027 0.000 0.868 69 D CB -0.204 40.566 40.800 -0.049 0.000 1.180 69 D HN 0.309 nan 8.370 nan 0.000 0.465 70 S N -0.265 115.471 115.700 0.060 0.000 3.380 70 S HA -0.143 4.327 4.470 0.000 0.000 0.300 70 S C 0.871 175.873 174.600 0.670 0.000 1.255 70 S CA 0.813 59.132 58.200 0.198 0.000 0.963 70 S CB -1.141 61.974 63.200 -0.141 0.000 1.106 70 S HN 0.773 nan 8.310 nan 0.000 0.629 71 G N -0.087 109.005 108.800 0.487 0.000 2.509 71 G HA2 0.674 4.634 3.960 0.000 0.000 0.269 71 G HA3 0.674 4.634 3.960 0.000 0.000 0.269 71 G C 0.938 176.137 174.900 0.498 0.000 1.416 71 G CA 0.318 45.709 45.100 0.484 0.000 1.052 71 G HN 1.492 nan 8.290 nan 0.000 0.542 72 G N -1.915 107.026 108.800 0.235 0.000 2.523 72 G HA2 -0.169 3.791 3.960 0.000 0.000 0.271 72 G HA3 -0.169 3.791 3.960 0.000 0.000 0.271 72 G C 0.055 175.051 174.900 0.161 0.000 1.146 72 G CA 0.256 45.466 45.100 0.183 0.000 0.961 72 G HN 1.507 nan 8.290 nan 0.000 0.549 73 V N 1.698 121.686 119.914 0.123 0.000 2.338 73 V HA 0.430 4.550 4.120 0.000 0.000 0.255 73 V C 0.592 176.532 176.094 -0.257 0.000 1.082 73 V CA -0.164 62.153 62.300 0.027 0.000 0.951 73 V CB -0.077 31.749 31.823 0.005 0.000 1.102 73 V HN 0.461 nan 8.190 nan 0.000 0.489 74 W N 2.260 123.253 121.300 -0.513 0.000 1.807 74 W HA 0.598 5.258 4.660 0.000 0.000 0.493 74 W C 0.964 177.268 176.519 -0.359 0.000 2.080 74 W CA -0.889 56.023 57.345 -0.721 0.000 2.345 74 W CB 0.121 29.369 29.460 -0.353 0.000 1.717 74 W HN 0.502 nan 8.180 nan 0.000 0.777 75 A N 4.016 126.865 122.820 0.048 0.000 2.545 75 A HA 0.220 4.540 4.320 0.000 0.000 0.253 75 A C -1.971 175.736 177.584 0.205 0.000 1.074 75 A CA -0.569 51.521 52.037 0.089 0.000 0.760 75 A CB -1.305 17.740 19.000 0.075 0.000 1.005 75 A HN 0.187 nan 8.150 nan 0.000 0.506 76 P HA 0.363 nan 4.420 nan 0.000 0.280 76 P C -1.022 176.483 177.300 0.342 0.000 1.272 76 P CA -0.183 63.056 63.100 0.232 0.000 0.819 76 P CB 1.002 32.777 31.700 0.125 0.000 1.122 77 H N 0.158 119.370 119.070 0.236 0.000 2.823 77 H HA 0.546 5.102 4.556 0.000 0.000 0.332 77 H C -1.584 173.906 175.328 0.269 0.000 0.980 77 H CA -0.743 55.465 56.048 0.267 0.000 1.286 77 H CB 0.486 30.425 29.762 0.295 0.000 1.541 77 H HN 0.153 nan 8.280 nan 0.000 0.521 78 L N 5.005 126.120 121.223 -0.180 0.000 2.296 78 L HA 0.653 4.993 4.340 0.000 0.000 0.286 78 L C -0.725 176.078 176.870 -0.111 0.000 1.023 78 L CA 0.011 54.837 54.840 -0.022 0.000 0.812 78 L CB 1.056 43.194 42.059 0.131 0.000 1.223 78 L HN 0.815 nan 8.230 nan 0.000 0.421 79 S N 3.564 119.370 115.700 0.177 0.000 2.697 79 S HA 0.685 5.155 4.470 0.000 0.000 0.289 79 S C -1.315 173.587 174.600 0.503 0.000 1.149 79 S CA -0.701 57.697 58.200 0.330 0.000 0.850 79 S CB 1.469 64.941 63.200 0.454 0.000 1.151 79 S HN 0.584 nan 8.310 nan 0.000 0.491 80 Y N 0.267 120.663 120.300 0.161 0.000 2.396 80 Y HA 0.689 5.240 4.550 0.000 0.000 0.332 80 Y C -0.673 175.109 175.900 -0.197 0.000 1.034 80 Y CA 0.012 58.100 58.100 -0.021 0.000 1.057 80 Y CB 1.846 40.159 38.460 -0.244 0.000 1.220 80 Y HN 1.074 nan 8.280 nan 0.000 0.440 81 S N 3.732 119.151 115.700 -0.468 0.000 2.552 81 S HA 0.332 4.802 4.470 0.000 0.000 0.272 81 S C -1.536 172.942 174.600 -0.203 0.000 1.150 81 S CA -0.470 57.482 58.200 -0.414 0.000 0.849 81 S CB 0.937 63.572 63.200 -0.942 0.000 1.113 81 S HN 0.845 nan 8.310 nan 0.000 0.458 82 D N 1.847 122.166 120.400 -0.136 0.000 2.737 82 D HA -0.171 4.469 4.640 0.000 0.000 0.233 82 D C 0.926 177.132 176.300 -0.157 0.000 1.155 82 D CA 2.139 56.108 54.000 -0.052 0.000 0.667 82 D CB -1.569 39.295 40.800 0.107 0.000 1.060 82 D HN 1.570 nan 8.370 nan 0.000 0.427 83 G N -0.304 108.303 108.800 -0.322 0.000 2.176 83 G HA2 -0.342 3.618 3.960 0.000 0.000 0.253 83 G HA3 -0.342 3.618 3.960 0.000 0.000 0.253 83 G C 0.241 174.801 174.900 -0.566 0.000 0.979 83 G CA 1.023 45.933 45.100 -0.316 0.000 0.641 83 G HN 0.806 nan 8.290 nan 0.000 0.530 84 K N -1.060 118.786 120.400 -0.923 0.000 2.509 84 K HA 0.764 5.084 4.320 0.000 0.000 0.266 84 K C -0.951 175.084 176.600 -0.943 0.000 0.987 84 K CA -1.354 54.432 56.287 -0.836 0.000 0.868 84 K CB 1.199 33.331 32.500 -0.613 0.000 1.421 84 K HN -0.023 nan 8.250 nan 0.000 0.444 85 F N 0.798 120.529 119.950 -0.365 0.000 2.396 85 F HA 0.348 4.875 4.527 0.000 0.000 0.343 85 F C -0.575 175.194 175.800 -0.051 0.000 1.104 85 F CA 0.086 58.069 58.000 -0.028 0.000 1.161 85 F CB 0.697 39.693 39.000 -0.006 0.000 1.146 85 F HN 0.367 nan 8.300 nan 0.000 0.522 86 W N 5.479 126.989 121.300 0.350 0.000 2.471 86 W HA 0.605 5.265 4.660 0.000 0.000 0.318 86 W C -1.299 175.443 176.519 0.372 0.000 1.034 86 W CA -0.813 56.736 57.345 0.339 0.000 1.224 86 W CB 1.315 30.945 29.460 0.283 0.000 1.335 86 W HN 0.178 nan 8.180 nan 0.000 0.452 87 L N 5.923 127.490 121.223 0.574 0.000 2.325 87 L HA 0.634 4.974 4.340 0.000 0.000 0.281 87 L C -0.954 176.132 176.870 0.359 0.000 1.004 87 L CA -0.733 54.320 54.840 0.355 0.000 0.823 87 L CB 0.555 42.642 42.059 0.047 0.000 1.236 87 L HN 0.205 nan 8.230 nan 0.000 0.415 88 I N 5.969 126.738 120.570 0.332 0.000 2.392 88 I HA 0.446 4.617 4.170 0.000 0.000 0.295 88 I C -0.450 175.859 176.117 0.321 0.000 0.985 88 I CA -0.529 60.934 61.300 0.271 0.000 1.221 88 I CB 0.849 38.985 38.000 0.227 0.000 1.366 88 I HN 0.756 nan 8.210 nan 0.000 0.467 89 Y N 2.137 122.525 120.300 0.147 0.000 2.625 89 Y HA 0.761 5.311 4.550 0.000 0.000 0.338 89 Y C -0.250 175.757 175.900 0.177 0.000 1.123 89 Y CA -1.167 57.012 58.100 0.132 0.000 1.046 89 Y CB 1.178 39.679 38.460 0.069 0.000 1.299 89 Y HN 0.625 nan 8.280 nan 0.000 0.464 90 T N -1.075 113.635 114.554 0.260 0.000 2.952 90 T HA 0.520 4.870 4.350 0.000 0.000 0.286 90 T C -1.386 173.476 174.700 0.270 0.000 1.024 90 T CA -0.547 61.636 62.100 0.138 0.000 1.029 90 T CB 1.768 70.638 68.868 0.005 0.000 1.094 90 T HN 0.739 nan 8.240 nan 0.000 0.515 91 D N 1.339 121.873 120.400 0.223 0.000 2.421 91 D HA 0.378 5.018 4.640 0.000 0.000 0.254 91 D C -0.937 175.357 176.300 -0.010 0.000 1.238 91 D CA -0.494 53.622 54.000 0.193 0.000 0.919 91 D CB 1.120 42.131 40.800 0.351 0.000 1.152 91 D HN 0.464 nan 8.370 nan 0.000 0.552 92 V N 5.324 125.128 119.914 -0.184 0.000 2.461 92 V HA 0.246 4.366 4.120 0.000 0.000 0.275 92 V C 1.276 177.266 176.094 -0.173 0.000 1.047 92 V CA -0.350 61.720 62.300 -0.383 0.000 0.955 92 V CB 1.553 32.808 31.823 -0.946 0.000 0.988 92 V HN 0.398 nan 8.190 nan 0.000 0.471 93 K N 3.061 123.357 120.400 -0.173 0.000 2.313 93 K HA 0.270 4.591 4.320 0.000 0.000 0.197 93 K C 0.024 176.586 176.600 -0.064 0.000 1.061 93 K CA 0.627 56.869 56.287 -0.076 0.000 0.980 93 K CB 0.798 33.269 32.500 -0.049 0.000 0.888 93 K HN 0.456 nan 8.250 nan 0.000 0.502 94 V N 2.106 121.954 119.914 -0.109 0.000 2.487 94 V HA 0.199 4.319 4.120 0.000 0.000 0.298 94 V C 0.460 176.521 176.094 -0.055 0.000 1.028 94 V CA -0.626 61.642 62.300 -0.054 0.000 0.860 94 V CB 1.943 33.739 31.823 -0.046 0.000 0.991 94 V HN 0.026 nan 8.190 nan 0.000 0.427 95 V N 0.692 120.635 119.914 0.050 0.000 3.330 95 V HA 0.560 4.680 4.120 0.000 0.000 0.309 95 V C 0.146 176.335 176.094 0.159 0.000 1.481 95 V CA 0.100 62.490 62.300 0.151 0.000 1.068 95 V CB 0.029 32.026 31.823 0.290 0.000 0.935 95 V HN 0.798 nan 8.190 nan 0.000 0.453 96 E N 0.291 120.567 120.200 0.127 0.000 2.356 96 E HA 0.652 5.002 4.350 0.000 0.000 0.275 96 E C 0.146 176.851 176.600 0.176 0.000 0.904 96 E CA -0.130 56.357 56.400 0.145 0.000 0.757 96 E CB 2.340 32.106 29.700 0.111 0.000 1.232 96 E HN 0.605 nan 8.360 nan 0.000 0.442 97 G N 1.432 110.350 108.800 0.196 0.000 2.512 97 G HA2 -0.240 3.720 3.960 0.000 0.000 0.210 97 G HA3 -0.240 3.720 3.960 0.000 0.000 0.210 97 G C 0.278 175.320 174.900 0.236 0.000 1.295 97 G CA -0.482 44.749 45.100 0.219 0.000 0.934 97 G HN 0.430 nan 8.290 nan 0.000 0.554 98 Q N -0.677 119.220 119.800 0.162 0.000 2.378 98 Q HA 0.083 4.423 4.340 0.000 0.000 0.205 98 Q C 0.761 176.759 176.000 -0.004 0.000 0.954 98 Q CA 1.046 56.795 55.803 -0.090 0.000 0.901 98 Q CB 0.204 28.561 28.738 -0.634 0.000 0.981 98 Q HN 0.518 nan 8.270 nan 0.000 0.483 99 W N 0.117 121.573 121.300 0.260 0.000 2.647 99 W HA 0.369 5.030 4.660 0.000 0.000 0.353 99 W C 0.541 176.879 176.519 -0.302 0.000 1.080 99 W CA -0.792 56.594 57.345 0.068 0.000 1.208 99 W CB 1.121 30.568 29.460 -0.022 0.000 1.396 99 W HN -0.228 nan 8.180 nan 0.000 0.573 100 K N 1.302 121.382 120.400 -0.533 0.000 3.165 100 K HA 0.109 4.429 4.320 0.000 0.000 0.206 100 K C -0.782 175.498 176.600 -0.535 0.000 1.123 100 K CA -0.128 55.721 56.287 -0.732 0.000 0.978 100 K CB -0.403 31.230 32.500 -1.445 0.000 0.749 100 K HN 0.137 nan 8.250 nan 0.000 0.454 101 D N 0.982 121.194 120.400 -0.313 0.000 2.662 101 D HA 0.217 4.857 4.640 0.000 0.000 0.233 101 D C 0.464 176.504 176.300 -0.432 0.000 1.129 101 D CA 1.209 55.022 54.000 -0.311 0.000 0.851 101 D CB 0.814 41.491 40.800 -0.206 0.000 1.152 101 D HN 0.483 nan 8.370 nan 0.000 0.507 102 G N 1.452 109.895 108.800 -0.596 0.000 2.579 102 G HA2 0.374 4.334 3.960 0.000 0.000 0.292 102 G HA3 0.374 4.334 3.960 0.000 0.000 0.292 102 G C -1.664 172.784 174.900 -0.753 0.000 1.484 102 G CA -0.829 43.882 45.100 -0.649 0.000 0.813 102 G HN 0.427 nan 8.290 nan 0.000 0.515 103 H N 0.574 119.563 119.070 -0.134 0.000 2.622 103 H HA 0.505 5.061 4.556 0.000 0.000 0.363 103 H C -0.631 174.409 175.328 -0.479 0.000 1.151 103 H CA -0.781 55.121 56.048 -0.243 0.000 1.184 103 H CB 2.264 31.920 29.762 -0.176 0.000 1.643 103 H HN 0.371 nan 8.280 nan 0.000 0.531 104 N N 1.894 120.275 118.700 -0.532 0.000 2.372 104 N HA 0.273 5.013 4.740 0.000 0.000 0.291 104 N C -1.029 174.005 175.510 -0.794 0.000 1.024 104 N CA -0.349 52.381 53.050 -0.534 0.000 0.873 104 N CB 1.662 39.959 38.487 -0.317 0.000 1.206 104 N HN 0.440 nan 8.380 nan 0.000 0.486 105 Y N 0.189 120.226 120.300 -0.438 0.000 2.545 105 Y HA 0.522 5.072 4.550 0.000 0.000 0.348 105 Y C -0.355 175.326 175.900 -0.365 0.000 1.002 105 Y CA -1.165 56.650 58.100 -0.475 0.000 1.039 105 Y CB 1.811 39.791 38.460 -0.801 0.000 1.271 105 Y HN 0.308 nan 8.280 nan 0.000 0.467 106 L N 4.111 125.359 121.223 0.042 0.000 2.333 106 L HA 0.893 5.233 4.340 0.000 0.000 0.280 106 L C -1.105 175.921 176.870 0.259 0.000 1.004 106 L CA -0.798 54.126 54.840 0.140 0.000 0.820 106 L CB 1.341 43.429 42.059 0.049 0.000 1.247 106 L HN 0.469 nan 8.230 nan 0.000 0.416 107 V N 1.316 121.447 119.914 0.361 0.000 2.914 107 V HA 0.968 5.088 4.120 0.000 0.000 0.314 107 V C -0.170 176.167 176.094 0.405 0.000 1.084 107 V CA 0.137 62.655 62.300 0.363 0.000 0.963 107 V CB 1.557 33.617 31.823 0.396 0.000 1.025 107 V HN 0.969 nan 8.190 nan 0.000 0.432 108 T N -0.241 114.457 114.554 0.241 0.000 2.916 108 T HA 0.804 5.154 4.350 0.000 0.000 0.292 108 T C -0.694 173.848 174.700 -0.262 0.000 1.064 108 T CA -0.638 61.442 62.100 -0.034 0.000 1.011 108 T CB 1.614 70.202 68.868 -0.467 0.000 1.152 108 T HN 1.468 nan 8.240 nan 0.000 0.510 109 C N 0.903 119.803 119.300 -0.667 0.000 3.171 109 C HA 0.479 4.940 4.460 0.000 0.000 0.336 109 C C 0.583 175.279 174.990 -0.491 0.000 1.198 109 C CA -0.507 58.033 59.018 -0.796 0.000 1.319 109 C CB 1.175 27.907 27.740 -1.680 0.000 1.682 109 C HN 1.044 nan 8.230 nan 0.000 0.497 110 D N 1.272 121.469 120.400 -0.338 0.000 2.178 110 D HA 0.020 4.660 4.640 0.000 0.000 0.202 110 D C 1.099 177.377 176.300 -0.038 0.000 0.974 110 D CA 1.639 55.521 54.000 -0.198 0.000 0.841 110 D CB 0.201 40.906 40.800 -0.159 0.000 0.953 110 D HN 0.843 nan 8.370 nan 0.000 0.478 111 T N -2.176 112.331 114.554 -0.079 0.000 2.924 111 T HA 0.365 4.715 4.350 0.000 0.000 0.291 111 T C 1.064 175.656 174.700 -0.179 0.000 1.045 111 T CA -0.820 61.300 62.100 0.033 0.000 1.015 111 T CB 2.058 70.891 68.868 -0.058 0.000 1.103 111 T HN -0.251 nan 8.240 nan 0.000 0.496 112 I N 1.121 121.509 120.570 -0.303 0.000 2.394 112 I HA -0.041 4.129 4.170 0.000 0.000 0.251 112 I C 1.241 177.263 176.117 -0.158 0.000 1.136 112 I CA 1.528 62.437 61.300 -0.653 0.000 1.425 112 I CB -0.160 37.291 38.000 -0.915 0.000 1.079 112 I HN 0.858 nan 8.210 nan 0.000 0.425 113 D N -1.338 118.995 120.400 -0.112 0.000 2.501 113 D HA 0.210 4.851 4.640 0.000 0.000 0.224 113 D C 1.000 177.292 176.300 -0.012 0.000 1.202 113 D CA 0.056 54.057 54.000 0.002 0.000 0.829 113 D CB -0.790 39.992 40.800 -0.030 0.000 1.023 113 D HN 0.218 nan 8.370 nan 0.000 0.499 114 G N 0.300 109.024 108.800 -0.126 0.000 2.486 114 G HA2 0.447 4.407 3.960 0.000 0.000 0.272 114 G HA3 0.447 4.407 3.960 0.000 0.000 0.272 114 G C -0.272 174.590 174.900 -0.065 0.000 1.426 114 G CA -0.313 44.706 45.100 -0.136 0.000 1.058 114 G HN 0.326 nan 8.290 nan 0.000 0.531 115 A N -0.820 121.961 122.820 -0.065 0.000 2.316 115 A HA 0.528 4.848 4.320 0.000 0.000 0.311 115 A C -0.718 176.874 177.584 0.013 0.000 1.339 115 A CA -0.583 51.473 52.037 0.031 0.000 0.960 115 A CB -0.170 18.840 19.000 0.017 0.000 1.152 115 A HN 0.441 nan 8.150 nan 0.000 0.547 116 W N 2.230 123.494 121.300 -0.060 0.000 2.150 116 W HA 0.361 5.021 4.660 0.000 0.000 0.341 116 W C 1.283 177.780 176.519 -0.037 0.000 1.276 116 W CA 0.570 57.883 57.345 -0.054 0.000 1.238 116 W CB 0.582 30.003 29.460 -0.066 0.000 1.128 116 W HN 0.829 nan 8.180 nan 0.000 0.581 117 S N 0.907 116.719 115.700 0.187 0.000 2.587 117 S HA 0.048 4.518 4.470 0.000 0.000 0.260 117 S C -0.126 174.559 174.600 0.141 0.000 1.353 117 S CA -0.705 57.564 58.200 0.115 0.000 0.995 117 S CB 0.498 63.743 63.200 0.074 0.000 0.912 117 S HN 0.396 nan 8.310 nan 0.000 0.568 118 D N 2.355 122.816 120.400 0.102 0.000 2.339 118 D HA 0.381 5.021 4.640 0.000 0.000 0.245 118 D C -2.052 174.330 176.300 0.136 0.000 1.115 118 D CA -1.169 52.891 54.000 0.101 0.000 0.917 118 D CB 0.402 41.245 40.800 0.071 0.000 1.192 118 D HN 0.416 nan 8.370 nan 0.000 0.428 119 P HA 0.148 nan 4.420 nan 0.000 0.268 119 P C -0.251 177.180 177.300 0.218 0.000 1.205 119 P CA -0.044 63.178 63.100 0.202 0.000 0.771 119 P CB 0.719 32.490 31.700 0.117 0.000 0.858 120 I N 3.099 123.812 120.570 0.239 0.000 2.315 120 I HA 0.152 4.322 4.170 0.000 0.000 0.291 120 I C 0.511 176.789 176.117 0.268 0.000 1.006 120 I CA -1.023 60.426 61.300 0.247 0.000 1.265 120 I CB 0.484 38.631 38.000 0.245 0.000 1.387 120 I HN 0.335 nan 8.210 nan 0.000 0.475 121 Y N 6.894 127.303 120.300 0.182 0.000 2.526 121 Y HA 0.139 4.689 4.550 0.000 0.000 0.330 121 Y C 0.144 176.055 175.900 0.019 0.000 1.156 121 Y CA 0.298 58.441 58.100 0.072 0.000 1.419 121 Y CB 0.692 39.183 38.460 0.053 0.000 1.250 121 Y HN 0.519 nan 8.280 nan 0.000 0.540 122 L N 3.790 124.471 121.223 -0.903 0.000 2.546 122 L HA 0.221 4.561 4.340 0.000 0.000 0.182 122 L C -0.073 176.290 176.870 -0.845 0.000 1.167 122 L CA 0.246 54.713 54.840 -0.623 0.000 0.845 122 L CB -0.105 41.720 42.059 -0.389 0.000 1.134 122 L HN 0.777 nan 8.230 nan 0.000 0.500 123 N N -3.023 115.090 118.700 -0.979 0.000 3.339 123 N HA 0.113 4.853 4.740 0.000 0.000 0.275 123 N C -0.800 174.552 175.510 -0.262 0.000 1.514 123 N CA -0.406 52.350 53.050 -0.490 0.000 0.879 123 N CB 1.304 39.684 38.487 -0.179 0.000 1.557 123 N HN -0.188 nan 8.380 nan 0.000 0.524 124 S N -1.048 114.643 115.700 -0.016 0.000 2.900 124 S HA 0.115 4.585 4.470 0.000 0.000 0.253 124 S C 0.679 175.214 174.600 -0.108 0.000 1.029 124 S CA 0.114 58.304 58.200 -0.017 0.000 1.096 124 S CB -0.281 63.011 63.200 0.153 0.000 1.067 124 S HN 0.679 nan 8.310 nan 0.000 0.610 125 S N 1.224 116.861 115.700 -0.105 0.000 2.515 125 S HA 0.434 4.904 4.470 0.000 0.000 0.231 125 S C 1.008 175.463 174.600 -0.241 0.000 0.987 125 S CA 0.386 58.469 58.200 -0.196 0.000 0.936 125 S CB 0.216 63.346 63.200 -0.117 0.000 0.766 125 S HN 0.657 nan 8.310 nan 0.000 0.528 126 G N 0.482 109.174 108.800 -0.180 0.000 2.340 126 G HA2 0.423 4.383 3.960 0.000 0.000 0.298 126 G HA3 0.423 4.383 3.960 0.000 0.000 0.298 126 G C -0.647 174.132 174.900 -0.202 0.000 1.498 126 G CA -0.794 44.166 45.100 -0.234 0.000 0.847 126 G HN 0.283 nan 8.290 nan 0.000 0.594 127 F N -0.704 119.190 119.950 -0.094 0.000 2.213 127 F HA 0.695 5.222 4.527 0.000 0.000 0.297 127 F C 0.579 176.428 175.800 0.081 0.000 1.094 127 F CA -0.189 57.777 58.000 -0.057 0.000 1.121 127 F CB 0.124 39.063 39.000 -0.102 0.000 1.622 127 F HN 0.408 nan 8.300 nan 0.000 0.521 128 D N -0.212 120.458 120.400 0.449 0.000 2.737 128 D HA -0.116 4.524 4.640 0.000 0.000 0.238 128 D C -2.517 173.859 176.300 0.127 0.000 1.157 128 D CA 0.371 54.568 54.000 0.327 0.000 0.694 128 D CB -1.685 39.331 40.800 0.360 0.000 1.021 128 D HN 0.343 nan 8.370 nan 0.000 0.420 129 P HA 0.289 nan 4.420 nan 0.000 0.278 129 P C -0.349 176.982 177.300 0.051 0.000 1.238 129 P CA -0.189 62.933 63.100 0.037 0.000 0.794 129 P CB 1.708 33.413 31.700 0.010 0.000 0.955 130 S N 1.610 117.285 115.700 -0.042 0.000 2.540 130 S HA 0.537 5.007 4.470 0.000 0.000 0.275 130 S C -1.486 173.059 174.600 -0.091 0.000 1.123 130 S CA -0.656 57.429 58.200 -0.192 0.000 0.907 130 S CB 0.613 63.607 63.200 -0.344 0.000 1.081 130 S HN 0.321 nan 8.310 nan 0.000 0.476 131 L N 4.894 126.151 121.223 0.056 0.000 2.287 131 L HA 0.703 5.044 4.340 0.000 0.000 0.287 131 L C -1.219 175.636 176.870 -0.025 0.000 1.022 131 L CA -0.394 54.446 54.840 -0.000 0.000 0.814 131 L CB 0.875 42.897 42.059 -0.060 0.000 1.217 131 L HN 0.658 nan 8.230 nan 0.000 0.420 132 F N 4.950 124.767 119.950 -0.222 0.000 2.427 132 F HA 0.462 4.989 4.527 0.000 0.000 0.346 132 F C -0.363 175.313 175.800 -0.206 0.000 1.120 132 F CA -0.444 57.473 58.000 -0.138 0.000 1.033 132 F CB 0.612 39.604 39.000 -0.013 0.000 1.126 132 F HN 0.505 nan 8.300 nan 0.000 0.462 133 H N 4.739 123.489 119.070 -0.533 0.000 2.724 133 H HA 0.165 4.721 4.556 0.000 0.000 0.278 133 H C -0.530 174.342 175.328 -0.759 0.000 1.159 133 H CA -0.712 55.016 56.048 -0.534 0.000 1.254 133 H CB 0.646 30.212 29.762 -0.328 0.000 1.412 133 H HN 0.553 nan 8.280 nan 0.000 0.488 134 D N 1.977 122.004 120.400 -0.623 0.000 2.357 134 D HA -0.037 4.603 4.640 0.000 0.000 0.242 134 D C 1.279 177.548 176.300 -0.051 0.000 1.153 134 D CA -0.209 53.583 54.000 -0.346 0.000 0.918 134 D CB 1.169 42.031 40.800 0.104 0.000 1.181 134 D HN 0.445 nan 8.370 nan 0.000 0.435 135 E N 0.955 121.192 120.200 0.062 0.000 2.130 135 E HA -0.203 4.147 4.350 0.000 0.000 0.196 135 E C 0.953 177.591 176.600 0.063 0.000 0.998 135 E CA 1.069 57.512 56.400 0.071 0.000 0.806 135 E CB -0.145 29.611 29.700 0.095 0.000 0.738 135 E HN 0.565 nan 8.360 nan 0.000 0.459 136 D N -0.633 119.821 120.400 0.089 0.000 2.338 136 D HA 0.039 4.680 4.640 0.000 0.000 0.239 136 D C 1.304 177.634 176.300 0.051 0.000 1.095 136 D CA 0.744 54.792 54.000 0.079 0.000 0.888 136 D CB -0.053 40.814 40.800 0.113 0.000 0.899 136 D HN 0.230 nan 8.370 nan 0.000 0.525 137 G N 0.277 109.093 108.800 0.027 0.000 2.225 137 G HA2 -0.341 3.619 3.960 0.000 0.000 0.254 137 G HA3 -0.341 3.619 3.960 0.000 0.000 0.254 137 G C 0.409 175.289 174.900 -0.033 0.000 0.988 137 G CA -0.001 45.099 45.100 -0.001 0.000 0.625 137 G HN 0.489 nan 8.290 nan 0.000 0.527 138 R N 0.758 121.245 120.500 -0.022 0.000 2.594 138 R HA 0.513 4.854 4.340 0.000 0.000 0.272 138 R C 0.016 176.166 176.300 -0.250 0.000 1.074 138 R CA 0.034 56.053 56.100 -0.135 0.000 1.105 138 R CB 0.521 30.780 30.300 -0.068 0.000 1.008 138 R HN 0.105 nan 8.270 nan 0.000 0.472 139 K N 2.785 122.922 120.400 -0.439 0.000 2.259 139 K HA 0.378 4.698 4.320 0.000 0.000 0.252 139 K C -1.075 175.207 176.600 -0.529 0.000 0.936 139 K CA -0.669 55.389 56.287 -0.381 0.000 0.810 139 K CB 1.871 34.221 32.500 -0.251 0.000 1.143 139 K HN 0.465 nan 8.250 nan 0.000 0.427 140 Y N 0.538 120.817 120.300 -0.035 0.000 2.492 140 Y HA 0.381 4.931 4.550 0.000 0.000 0.346 140 Y C -0.546 175.356 175.900 0.002 0.000 0.997 140 Y CA -1.113 57.008 58.100 0.036 0.000 1.025 140 Y CB 1.931 40.441 38.460 0.084 0.000 1.263 140 Y HN 0.381 nan 8.280 nan 0.000 0.454 141 L N 4.785 126.090 121.223 0.136 0.000 2.282 141 L HA 0.774 5.114 4.340 0.000 0.000 0.288 141 L C -0.770 176.115 176.870 0.024 0.000 1.033 141 L CA -0.678 54.186 54.840 0.040 0.000 0.807 141 L CB 0.980 43.038 42.059 -0.000 0.000 1.209 141 L HN 0.474 nan 8.230 nan 0.000 0.423 142 V N 3.335 123.234 119.914 -0.025 0.000 2.667 142 V HA 0.779 4.899 4.120 0.000 0.000 0.308 142 V C -0.633 175.425 176.094 -0.059 0.000 1.048 142 V CA -0.594 61.670 62.300 -0.060 0.000 0.928 142 V CB 1.572 33.320 31.823 -0.126 0.000 1.004 142 V HN 0.958 nan 8.190 nan 0.000 0.444 143 N N 2.665 121.342 118.700 -0.038 0.000 2.927 143 N HA 0.436 5.176 4.740 0.000 0.000 0.248 143 N C -0.850 174.646 175.510 -0.023 0.000 1.443 143 N CA -0.880 52.146 53.050 -0.040 0.000 0.870 143 N CB 2.185 40.648 38.487 -0.039 0.000 1.444 143 N HN 0.878 nan 8.380 nan 0.000 0.519 144 M N -0.411 119.137 119.600 -0.087 0.000 2.240 144 M HA 0.403 4.883 4.480 0.000 0.000 0.333 144 M C -1.123 175.165 176.300 -0.020 0.000 1.110 144 M CA 0.065 55.319 55.300 -0.077 0.000 1.173 144 M CB 0.137 32.595 32.600 -0.236 0.000 1.458 144 M HN 0.524 nan 8.290 nan 0.000 0.458 145 Y N 3.350 123.620 120.300 -0.049 0.000 2.328 145 Y HA 0.388 4.938 4.550 0.000 0.000 0.337 145 Y C -1.410 174.487 175.900 -0.005 0.000 0.966 145 Y CA -0.590 57.512 58.100 0.003 0.000 1.136 145 Y CB 0.855 39.371 38.460 0.093 0.000 1.170 145 Y HN 0.820 nan 8.280 nan 0.000 0.470 146 W N 7.821 128.837 121.300 -0.474 0.000 2.338 146 W HA 0.248 4.909 4.660 0.000 0.000 0.307 146 W C -1.115 175.207 176.519 -0.329 0.000 1.167 146 W CA -0.382 56.731 57.345 -0.387 0.000 1.208 146 W CB 1.322 30.577 29.460 -0.342 0.000 1.228 146 W HN 0.547 nan 8.180 nan 0.000 0.499 147 D N 4.997 124.887 120.400 -0.850 0.000 2.441 147 D HA 0.016 4.656 4.640 0.000 0.000 0.231 147 D C 1.351 177.127 176.300 -0.873 0.000 1.073 147 D CA -0.167 53.430 54.000 -0.671 0.000 0.850 147 D CB 0.648 41.205 40.800 -0.405 0.000 1.062 147 D HN 0.552 nan 8.370 nan 0.000 0.524 148 H N 2.622 121.365 119.070 -0.545 0.000 2.547 148 H HA 0.137 4.693 4.556 0.000 0.000 0.272 148 H C -0.013 175.023 175.328 -0.487 0.000 0.989 148 H CA -0.027 55.690 56.048 -0.551 0.000 1.214 148 H CB 0.188 29.492 29.762 -0.763 0.000 1.389 148 H HN 0.125 nan 8.280 nan 0.000 0.577 149 R N 0.936 120.873 120.500 -0.938 0.000 2.623 149 R HA 0.059 4.399 4.340 0.000 0.000 0.271 149 R C 1.416 177.588 176.300 -0.213 0.000 1.043 149 R CA 0.115 55.865 56.100 -0.585 0.000 1.083 149 R CB 1.027 30.942 30.300 -0.643 0.000 0.974 149 R HN -0.047 nan 8.270 nan 0.000 0.436 150 V N 1.909 121.765 119.914 -0.096 0.000 2.392 150 V HA -0.246 3.874 4.120 0.000 0.000 0.249 150 V C 1.233 177.343 176.094 0.027 0.000 1.059 150 V CA 2.279 64.565 62.300 -0.024 0.000 1.051 150 V CB -0.536 31.290 31.823 0.005 0.000 0.658 150 V HN 0.883 nan 8.190 nan 0.000 0.455 151 D N -2.056 118.406 120.400 0.104 0.000 2.336 151 D HA 0.013 4.653 4.640 0.000 0.000 0.229 151 D C 0.454 176.702 176.300 -0.086 0.000 1.061 151 D CA 0.137 54.158 54.000 0.036 0.000 0.875 151 D CB -0.381 40.420 40.800 0.002 0.000 0.904 151 D HN 0.535 nan 8.370 nan 0.000 0.525 152 H N -1.405 117.617 119.070 -0.080 0.000 2.797 152 H HA 0.400 4.956 4.556 0.000 0.000 0.372 152 H C -0.978 174.325 175.328 -0.043 0.000 1.168 152 H CA -0.983 55.029 56.048 -0.059 0.000 1.163 152 H CB 1.034 30.736 29.762 -0.099 0.000 1.778 152 H HN -0.038 nan 8.280 nan 0.000 0.551 153 H N 2.651 121.735 119.070 0.024 0.000 2.646 153 H HA 0.164 4.720 4.556 0.000 0.000 0.325 153 H C -1.791 173.497 175.328 -0.067 0.000 1.075 153 H CA -2.091 53.954 56.048 -0.005 0.000 1.421 153 H CB 1.101 30.867 29.762 0.006 0.000 1.461 153 H HN 0.410 nan 8.280 nan 0.000 0.525 154 P HA -0.105 nan 4.420 nan 0.000 0.220 154 P C -0.378 176.361 177.300 -0.934 0.000 1.148 154 P CA 1.089 63.546 63.100 -1.072 0.000 0.803 154 P CB 0.113 30.860 31.700 -1.587 0.000 0.782 155 F N -1.160 118.356 119.950 -0.723 0.000 2.515 155 F HA 0.148 4.675 4.527 0.000 0.000 0.353 155 F C 1.492 177.289 175.800 -0.004 0.000 1.213 155 F CA -0.641 57.213 58.000 -0.242 0.000 1.194 155 F CB -0.406 38.543 39.000 -0.085 0.000 1.488 155 F HN -0.124 nan 8.300 nan 0.000 0.619 156 Y N 2.005 122.295 120.300 -0.017 0.000 2.571 156 Y HA 0.238 4.788 4.550 0.000 0.000 0.294 156 Y C 1.321 177.253 175.900 0.054 0.000 1.141 156 Y CA 0.828 58.957 58.100 0.047 0.000 1.308 156 Y CB -0.217 38.319 38.460 0.126 0.000 1.002 156 Y HN 0.583 nan 8.280 nan 0.000 0.551 157 G N -0.288 108.599 108.800 0.145 0.000 2.298 157 G HA2 -0.007 3.953 3.960 0.000 0.000 0.309 157 G HA3 -0.007 3.953 3.960 0.000 0.000 0.309 157 G C -1.726 173.248 174.900 0.122 0.000 1.279 157 G CA -0.543 44.588 45.100 0.051 0.000 1.042 157 G HN -0.068 nan 8.290 nan 0.000 0.480 158 I N 0.925 121.553 120.570 0.097 0.000 2.339 158 I HA 0.575 4.745 4.170 0.000 0.000 0.290 158 I C 0.498 176.642 176.117 0.045 0.000 0.994 158 I CA -0.939 60.407 61.300 0.077 0.000 1.191 158 I CB 0.761 38.795 38.000 0.056 0.000 1.343 158 I HN 0.537 nan 8.210 nan 0.000 0.458 159 V N 8.024 127.971 119.914 0.055 0.000 2.481 159 V HA 0.543 4.663 4.120 0.000 0.000 0.286 159 V C -0.797 175.298 176.094 0.002 0.000 1.042 159 V CA -0.535 61.785 62.300 0.033 0.000 0.928 159 V CB 2.155 34.041 31.823 0.106 0.000 0.986 159 V HN 0.579 nan 8.190 nan 0.000 0.462 160 L N 5.841 127.053 121.223 -0.018 0.000 2.362 160 L HA 0.698 5.038 4.340 0.000 0.000 0.271 160 L C -0.652 176.252 176.870 0.056 0.000 1.002 160 L CA 0.209 55.020 54.840 -0.048 0.000 0.818 160 L CB 1.817 43.725 42.059 -0.252 0.000 1.298 160 L HN 0.849 nan 8.230 nan 0.000 0.420 161 Q N 2.381 122.251 119.800 0.117 0.000 2.353 161 Q HA 0.300 4.640 4.340 0.000 0.000 0.275 161 Q C -1.584 174.554 176.000 0.230 0.000 1.029 161 Q CA -0.675 55.240 55.803 0.186 0.000 0.848 161 Q CB 1.944 30.762 28.738 0.134 0.000 1.390 161 Q HN 0.736 nan 8.270 nan 0.000 0.401 162 E N 2.151 122.485 120.200 0.224 0.000 2.338 162 E HA 0.070 4.420 4.350 0.000 0.000 0.272 162 E C -1.633 174.968 176.600 0.002 0.000 1.029 162 E CA -0.210 56.187 56.400 -0.006 0.000 0.872 162 E CB 0.663 30.306 29.700 -0.095 0.000 1.015 162 E HN 0.497 nan 8.360 nan 0.000 0.417 163 Y N 3.494 123.676 120.300 -0.196 0.000 2.335 163 Y HA 0.216 4.766 4.550 0.000 0.000 0.339 163 Y C -0.484 175.341 175.900 -0.125 0.000 0.987 163 Y CA -0.638 57.391 58.100 -0.119 0.000 1.140 163 Y CB 1.462 39.865 38.460 -0.096 0.000 1.173 163 Y HN 0.386 nan 8.280 nan 0.000 0.486 164 S N 5.647 120.965 115.700 -0.636 0.000 2.400 164 S HA 0.213 4.683 4.470 0.000 0.000 0.295 164 S C 0.808 174.955 174.600 -0.755 0.000 1.113 164 S CA -0.565 57.325 58.200 -0.517 0.000 1.064 164 S CB 0.194 63.218 63.200 -0.293 0.000 0.990 164 S HN 0.735 nan 8.310 nan 0.000 0.502 165 V N 5.232 124.891 119.914 -0.426 0.000 2.332 165 V HA -0.176 3.944 4.120 0.000 0.000 0.248 165 V C 2.507 178.558 176.094 -0.071 0.000 1.055 165 V CA 2.444 64.682 62.300 -0.103 0.000 1.038 165 V CB -0.827 31.097 31.823 0.169 0.000 0.651 165 V HN 0.955 nan 8.190 nan 0.000 0.450 166 E N 0.007 120.156 120.200 -0.085 0.000 2.072 166 E HA -0.249 4.101 4.350 0.000 0.000 0.191 166 E C 2.183 178.749 176.600 -0.058 0.000 0.985 166 E CA 1.472 57.844 56.400 -0.047 0.000 0.801 166 E CB -0.136 29.540 29.700 -0.040 0.000 0.750 166 E HN 0.692 nan 8.360 nan 0.000 0.452 167 Q N -0.094 119.641 119.800 -0.109 0.000 2.432 167 Q HA 0.033 4.373 4.340 0.000 0.000 0.205 167 Q C -0.066 175.893 176.000 -0.068 0.000 0.945 167 Q CA 0.401 56.155 55.803 -0.081 0.000 0.924 167 Q CB 0.254 28.940 28.738 -0.087 0.000 1.016 167 Q HN 0.134 nan 8.270 nan 0.000 0.503 168 K N 1.196 121.521 120.400 -0.126 0.000 3.096 168 K HA -0.219 4.101 4.320 0.000 0.000 0.266 168 K C -0.928 175.726 176.600 0.091 0.000 1.043 168 K CA 0.955 57.250 56.287 0.013 0.000 0.758 168 K CB -1.431 31.140 32.500 0.118 0.000 1.260 168 K HN 0.350 nan 8.250 nan 0.000 0.481 169 K N -1.262 119.087 120.400 -0.085 0.000 2.597 169 K HA 0.416 4.736 4.320 0.000 0.000 0.282 169 K C -0.752 175.853 176.600 0.008 0.000 0.975 169 K CA -1.244 55.090 56.287 0.078 0.000 0.867 169 K CB 1.025 33.564 32.500 0.064 0.000 1.465 169 K HN -0.037 nan 8.250 nan 0.000 0.417 170 L N 2.150 123.465 121.223 0.153 0.000 2.453 170 L HA 0.273 4.613 4.340 0.000 0.000 0.272 170 L C 0.440 177.337 176.870 0.044 0.000 1.182 170 L CA -0.552 54.357 54.840 0.114 0.000 0.858 170 L CB 0.660 42.788 42.059 0.114 0.000 1.120 170 L HN 0.573 nan 8.230 nan 0.000 0.474 171 V N 0.072 120.000 119.914 0.023 0.000 3.158 171 V HA 1.021 5.142 4.120 0.000 0.000 0.315 171 V C 0.537 176.661 176.094 0.050 0.000 1.148 171 V CA 0.049 62.360 62.300 0.018 0.000 1.042 171 V CB 1.063 32.874 31.823 -0.021 0.000 1.101 171 V HN 1.007 nan 8.190 nan 0.000 0.448 172 G N 1.046 109.873 108.800 0.045 0.000 2.575 172 G HA2 -0.116 3.844 3.960 0.000 0.000 0.267 172 G HA3 -0.116 3.844 3.960 0.000 0.000 0.267 172 G C -0.427 174.515 174.900 0.070 0.000 1.264 172 G CA 0.458 45.594 45.100 0.059 0.000 0.935 172 G HN 1.190 nan 8.290 nan 0.000 0.568 173 E N 1.128 121.376 120.200 0.080 0.000 2.195 173 E HA 0.532 4.882 4.350 0.000 0.000 0.271 173 E C -2.407 174.260 176.600 0.112 0.000 0.923 173 E CA -1.706 54.741 56.400 0.078 0.000 0.790 173 E CB 1.656 31.387 29.700 0.051 0.000 1.155 173 E HN 0.329 nan 8.360 nan 0.000 0.402 174 P HA 0.195 nan 4.420 nan 0.000 0.275 174 P C -0.554 176.799 177.300 0.088 0.000 1.227 174 P CA -0.235 62.927 63.100 0.104 0.000 0.781 174 P CB 0.664 32.418 31.700 0.091 0.000 0.906 175 K N 2.559 123.034 120.400 0.125 0.000 2.427 175 K HA 0.444 4.765 4.320 0.000 0.000 0.252 175 K C -0.338 176.298 176.600 0.060 0.000 0.931 175 K CA -0.777 55.587 56.287 0.127 0.000 0.793 175 K CB 1.902 34.593 32.500 0.318 0.000 1.211 175 K HN 0.352 nan 8.250 nan 0.000 0.426 176 I N 4.979 125.555 120.570 0.010 0.000 2.452 176 I HA 0.088 4.258 4.170 0.000 0.000 0.287 176 I C 1.610 177.766 176.117 0.064 0.000 1.079 176 I CA 0.168 61.468 61.300 -0.000 0.000 1.387 176 I CB 0.093 38.070 38.000 -0.038 0.000 1.404 176 I HN 0.635 nan 8.210 nan 0.000 0.522 177 I N 3.223 123.838 120.570 0.075 0.000 4.139 177 I HA 0.369 4.539 4.170 0.000 0.000 0.335 177 I C -0.235 176.043 176.117 0.267 0.000 1.327 177 I CA 0.148 61.539 61.300 0.152 0.000 1.112 177 I CB 0.618 38.660 38.000 0.070 0.000 1.058 177 I HN 0.293 nan 8.210 nan 0.000 0.396 178 F N 1.625 121.552 119.950 -0.038 0.000 2.651 178 F HA 0.417 4.944 4.527 0.000 0.000 0.327 178 F C -0.079 175.679 175.800 -0.070 0.000 1.133 178 F CA -0.952 57.011 58.000 -0.061 0.000 1.076 178 F CB 1.493 40.386 39.000 -0.179 0.000 1.315 178 F HN -0.263 nan 8.300 nan 0.000 0.499 179 K N 3.171 123.199 120.400 -0.620 0.000 2.352 179 K HA 0.507 4.827 4.320 0.000 0.000 0.194 179 K C 0.776 176.964 176.600 -0.687 0.000 1.038 179 K CA 0.719 56.691 56.287 -0.524 0.000 1.023 179 K CB 0.192 32.463 32.500 -0.383 0.000 0.840 179 K HN 1.010 nan 8.250 nan 0.000 0.519 180 G N 1.121 109.060 108.800 -1.435 0.000 2.566 180 G HA2 -0.227 3.734 3.960 0.000 0.000 0.599 180 G HA3 -0.227 3.734 3.960 0.000 0.000 0.599 180 G C -0.128 174.458 174.900 -0.524 0.000 1.292 180 G CA -0.331 44.203 45.100 -0.944 0.000 0.922 180 G HN 0.199 nan 8.290 nan 0.000 0.514 181 T N -3.057 111.367 114.554 -0.216 0.000 2.893 181 T HA 0.586 4.936 4.350 0.000 0.000 0.279 181 T C 1.344 175.948 174.700 -0.160 0.000 0.991 181 T CA 0.832 62.850 62.100 -0.137 0.000 0.950 181 T CB 1.519 70.354 68.868 -0.056 0.000 1.223 181 T HN 1.140 nan 8.240 nan 0.000 0.585 182 D N 0.001 120.313 120.400 -0.147 0.000 2.350 182 D HA -0.063 4.578 4.640 0.000 0.000 0.216 182 D C 1.870 178.054 176.300 -0.193 0.000 0.968 182 D CA 0.567 54.466 54.000 -0.169 0.000 0.894 182 D CB -0.655 40.057 40.800 -0.147 0.000 0.909 182 D HN 0.509 nan 8.370 nan 0.000 0.520 183 L N -0.616 120.501 121.223 -0.177 0.000 2.083 183 L HA -0.115 4.225 4.340 0.000 0.000 0.209 183 L C 1.149 177.903 176.870 -0.193 0.000 1.083 183 L CA 0.619 55.347 54.840 -0.187 0.000 0.752 183 L CB -0.272 41.697 42.059 -0.150 0.000 0.899 183 L HN -0.023 nan 8.230 nan 0.000 0.433 184 R N -1.223 119.170 120.500 -0.178 0.000 3.819 184 R HA -0.255 4.085 4.340 0.000 0.000 0.488 184 R C 0.800 177.036 176.300 -0.107 0.000 0.241 184 R CA 1.182 57.184 56.100 -0.162 0.000 1.530 184 R CB -1.450 28.601 30.300 -0.415 0.000 1.019 184 R HN 0.319 nan 8.270 nan 0.000 0.557 185 I N -0.802 119.756 120.570 -0.020 0.000 6.532 185 I HA -0.263 3.907 4.170 0.000 0.000 0.126 185 I C 0.043 175.962 176.117 -0.331 0.000 1.811 185 I CA 1.255 62.146 61.300 -0.681 0.000 2.115 185 I CB -1.950 35.685 38.000 -0.607 0.000 3.474 185 I HN 0.471 nan 8.210 nan 0.000 0.192 186 T N 3.055 117.629 114.554 0.034 0.000 2.799 186 T HA 0.381 4.731 4.350 0.000 0.000 0.296 186 T C 0.506 175.384 174.700 0.297 0.000 0.947 186 T CA 0.112 62.303 62.100 0.151 0.000 1.141 186 T CB 0.849 69.786 68.868 0.115 0.000 0.891 186 T HN 0.707 nan 8.240 nan 0.000 0.533 187 E N 1.484 121.818 120.200 0.223 0.000 2.310 187 E HA 0.550 4.900 4.350 0.000 0.000 0.243 187 E C 0.305 176.927 176.600 0.037 0.000 1.027 187 E CA -1.257 55.282 56.400 0.232 0.000 0.887 187 E CB 0.242 30.246 29.700 0.506 0.000 1.828 187 E HN 0.553 nan 8.360 nan 0.000 0.456 188 G N 1.975 110.771 108.800 -0.006 0.000 2.421 188 G HA2 -0.187 3.773 3.960 0.000 0.000 0.300 188 G HA3 -0.187 3.773 3.960 0.000 0.000 0.300 188 G C -2.203 172.399 174.900 -0.497 0.000 0.974 188 G CA 0.343 45.215 45.100 -0.379 0.000 1.062 188 G HN 0.386 nan 8.290 nan 0.000 0.514 189 P HA 0.245 nan 4.420 nan 0.000 0.276 189 P C -0.293 176.653 177.300 -0.590 0.000 1.230 189 P CA 0.337 63.218 63.100 -0.364 0.000 0.776 189 P CB 0.956 32.526 31.700 -0.217 0.000 0.888 190 H N 1.806 120.791 119.070 -0.142 0.000 2.771 190 H HA 0.426 4.982 4.556 0.000 0.000 0.361 190 H C -0.289 174.803 175.328 -0.393 0.000 1.108 190 H CA -0.652 55.243 56.048 -0.255 0.000 1.201 190 H CB 1.596 31.291 29.762 -0.113 0.000 1.681 190 H HN 0.306 nan 8.280 nan 0.000 0.534 191 L N 3.053 123.996 121.223 -0.467 0.000 2.317 191 L HA 0.421 4.761 4.340 0.000 0.000 0.281 191 L C -1.063 175.385 176.870 -0.703 0.000 1.024 191 L CA -0.730 53.745 54.840 -0.607 0.000 0.810 191 L CB 0.947 42.423 42.059 -0.971 0.000 1.240 191 L HN 0.501 nan 8.230 nan 0.000 0.427 192 Y N 1.490 121.814 120.300 0.039 0.000 2.396 192 Y HA 0.331 4.881 4.550 0.000 0.000 0.332 192 Y C -0.367 175.746 175.900 0.355 0.000 1.034 192 Y CA -1.079 57.206 58.100 0.308 0.000 1.057 192 Y CB 1.761 40.435 38.460 0.356 0.000 1.220 192 Y HN 0.325 nan 8.280 nan 0.000 0.440 193 K N 4.005 124.755 120.400 0.584 0.000 2.263 193 K HA 0.613 4.933 4.320 0.000 0.000 0.282 193 K C -1.555 175.247 176.600 0.337 0.000 1.089 193 K CA 0.181 56.681 56.287 0.355 0.000 0.907 193 K CB -0.030 32.655 32.500 0.309 0.000 1.148 193 K HN 0.664 nan 8.250 nan 0.000 0.470 194 I N 4.926 125.689 120.570 0.323 0.000 2.466 194 I HA 0.285 4.455 4.170 0.000 0.000 0.289 194 I C 0.182 176.381 176.117 0.136 0.000 1.026 194 I CA -0.896 60.520 61.300 0.193 0.000 1.078 194 I CB 1.687 39.675 38.000 -0.020 0.000 1.249 194 I HN 0.775 nan 8.210 nan 0.000 0.429 195 N N 3.782 122.485 118.700 0.004 0.000 1.156 195 N HA -0.242 4.498 4.740 0.000 0.000 0.125 195 N C 1.093 176.539 175.510 -0.107 0.000 0.726 195 N CA 1.863 54.879 53.050 -0.057 0.000 0.887 195 N CB -0.956 37.480 38.487 -0.085 0.000 1.163 195 N HN 0.927 nan 8.380 nan 0.000 0.564 196 G N -0.783 107.869 108.800 -0.248 0.000 3.314 196 G HA2 0.351 4.311 3.960 0.000 0.000 0.238 196 G HA3 0.351 4.311 3.960 0.000 0.000 0.238 196 G C -0.582 174.005 174.900 -0.521 0.000 1.184 196 G CA 0.163 45.030 45.100 -0.388 0.000 0.806 196 G HN 0.361 nan 8.290 nan 0.000 0.536 197 Y N -0.949 119.244 120.300 -0.177 0.000 2.468 197 Y HA 0.527 5.078 4.550 0.000 0.000 0.342 197 Y C -0.646 175.097 175.900 -0.262 0.000 1.021 197 Y CA -1.780 56.151 58.100 -0.281 0.000 1.079 197 Y CB 1.331 39.482 38.460 -0.515 0.000 1.226 197 Y HN 0.041 nan 8.280 nan 0.000 0.460 198 Y N 1.895 122.245 120.300 0.083 0.000 2.404 198 Y HA 0.262 4.812 4.550 0.000 0.000 0.344 198 Y C -0.818 175.129 175.900 0.078 0.000 0.995 198 Y CA -0.618 57.542 58.100 0.099 0.000 1.201 198 Y CB 0.007 38.485 38.460 0.029 0.000 1.151 198 Y HN 0.428 nan 8.280 nan 0.000 0.517 199 Y N 3.730 124.212 120.300 0.303 0.000 2.326 199 Y HA 0.377 4.927 4.550 0.000 0.000 0.337 199 Y C -0.404 175.600 175.900 0.173 0.000 1.023 199 Y CA -0.857 57.393 58.100 0.251 0.000 1.143 199 Y CB 1.112 39.725 38.460 0.254 0.000 1.183 199 Y HN 0.439 nan 8.280 nan 0.000 0.485 200 L N 5.787 127.059 121.223 0.082 0.000 2.295 200 L HA 0.486 4.826 4.340 0.000 0.000 0.281 200 L C -1.424 175.356 176.870 -0.150 0.000 1.018 200 L CA -0.698 53.992 54.840 -0.249 0.000 0.841 200 L CB 0.586 42.078 42.059 -0.945 0.000 1.218 200 L HN 0.586 nan 8.230 nan 0.000 0.424 201 L N 5.354 126.607 121.223 0.049 0.000 2.305 201 L HA 0.749 5.089 4.340 0.000 0.000 0.281 201 L C 0.064 176.906 176.870 -0.047 0.000 1.085 201 L CA 0.486 55.378 54.840 0.086 0.000 0.813 201 L CB 1.357 43.616 42.059 0.333 0.000 1.157 201 L HN 0.853 nan 8.230 nan 0.000 0.436 202 T N 2.043 116.565 114.554 -0.054 0.000 2.883 202 T HA 0.890 5.241 4.350 0.000 0.000 0.296 202 T C -0.563 174.108 174.700 -0.048 0.000 1.117 202 T CA -0.559 61.508 62.100 -0.055 0.000 1.006 202 T CB 1.460 70.362 68.868 0.057 0.000 1.191 202 T HN 0.831 nan 8.240 nan 0.000 0.508 203 A N 1.089 123.871 122.820 -0.064 0.000 2.305 203 A HA 0.775 5.095 4.320 0.000 0.000 0.322 203 A C -0.131 177.493 177.584 0.066 0.000 1.187 203 A CA -0.644 51.383 52.037 -0.016 0.000 0.825 203 A CB 0.527 19.551 19.000 0.040 0.000 1.164 203 A HN 0.872 nan 8.150 nan 0.000 0.498 204 E N 0.007 120.241 120.200 0.057 0.000 2.416 204 E HA 0.550 4.900 4.350 0.000 0.000 0.273 204 E C 0.470 177.105 176.600 0.059 0.000 0.935 204 E CA -0.436 55.985 56.400 0.034 0.000 0.784 204 E CB 1.852 31.548 29.700 -0.006 0.000 1.301 204 E HN 1.435 nan 8.360 nan 0.000 0.454 205 G N 0.472 109.254 108.800 -0.029 0.000 2.184 205 G HA2 -0.177 3.784 3.960 0.000 0.000 0.264 205 G HA3 -0.177 3.784 3.960 0.000 0.000 0.264 205 G C 0.581 175.479 174.900 -0.005 0.000 0.975 205 G CA 0.417 45.489 45.100 -0.046 0.000 0.642 205 G HN 1.292 nan 8.290 nan 0.000 0.536 206 G N -2.106 106.704 108.800 0.016 0.000 2.731 206 G HA2 0.200 4.160 3.960 0.000 0.000 0.686 206 G HA3 0.200 4.160 3.960 0.000 0.000 0.686 206 G C 0.447 175.234 174.900 -0.189 0.000 1.395 206 G CA 0.726 45.802 45.100 -0.039 0.000 0.870 206 G HN 1.621 nan 8.290 nan 0.000 0.591 207 T N 1.151 115.499 114.554 -0.343 0.000 3.284 207 T HA 0.151 4.502 4.350 0.000 0.000 0.252 207 T C 1.644 176.119 174.700 -0.375 0.000 1.144 207 T CA 1.733 63.398 62.100 -0.725 0.000 1.021 207 T CB -0.382 68.228 68.868 -0.430 0.000 0.984 207 T HN 0.572 nan 8.240 nan 0.000 0.545 208 R N -0.857 119.520 120.500 -0.206 0.000 2.417 208 R HA 0.308 4.648 4.340 0.000 0.000 0.189 208 R C 0.938 177.123 176.300 -0.193 0.000 1.249 208 R CA -0.459 55.512 56.100 -0.216 0.000 1.171 208 R CB -0.179 30.078 30.300 -0.073 0.000 2.071 208 R HN 0.209 nan 8.270 nan 0.000 0.537 209 Y N 0.685 121.032 120.300 0.078 0.000 2.561 209 Y HA 0.036 4.586 4.550 0.000 0.000 0.291 209 Y C 1.297 177.351 175.900 0.257 0.000 1.141 209 Y CA 0.867 59.056 58.100 0.149 0.000 1.303 209 Y CB -0.327 38.194 38.460 0.101 0.000 1.015 209 Y HN 0.456 nan 8.280 nan 0.000 0.547 210 N N -1.370 117.489 118.700 0.266 0.000 2.398 210 N HA -0.057 4.683 4.740 0.000 0.000 0.188 210 N C 0.151 175.743 175.510 0.137 0.000 1.122 210 N CA -0.116 53.002 53.050 0.114 0.000 0.866 210 N CB -0.058 38.368 38.487 -0.103 0.000 0.970 210 N HN 0.395 nan 8.380 nan 0.000 0.462 211 H N 0.885 119.999 119.070 0.073 0.000 3.016 211 H HA 0.208 4.765 4.556 0.000 0.000 0.345 211 H C -0.306 175.058 175.328 0.061 0.000 1.066 211 H CA -0.139 55.943 56.048 0.057 0.000 1.390 211 H CB 0.540 30.346 29.762 0.075 0.000 1.344 211 H HN 0.175 nan 8.280 nan 0.000 0.605 212 A N 2.475 125.249 122.820 -0.076 0.000 2.606 212 A HA 0.636 4.957 4.320 0.000 0.000 0.293 212 A C -1.540 175.917 177.584 -0.213 0.000 1.082 212 A CA -0.124 51.834 52.037 -0.132 0.000 0.685 212 A CB 1.331 20.298 19.000 -0.055 0.000 1.284 212 A HN 0.791 nan 8.150 nan 0.000 0.408 213 A N 0.644 123.367 122.820 -0.162 0.000 2.303 213 A HA 0.764 5.084 4.320 0.000 0.000 0.320 213 A C -0.110 177.414 177.584 -0.099 0.000 1.192 213 A CA -0.293 51.673 52.037 -0.120 0.000 0.821 213 A CB 0.602 19.541 19.000 -0.101 0.000 1.188 213 A HN 0.848 nan 8.150 nan 0.000 0.492 214 T N 2.483 117.002 114.554 -0.059 0.000 2.855 214 T HA 0.630 4.980 4.350 0.000 0.000 0.281 214 T C -0.595 174.091 174.700 -0.024 0.000 1.007 214 T CA -0.108 61.967 62.100 -0.041 0.000 1.009 214 T CB 0.947 69.832 68.868 0.028 0.000 0.983 214 T HN 0.585 nan 8.240 nan 0.000 0.455 215 I N 1.770 122.337 120.570 -0.005 0.000 2.730 215 I HA 0.781 4.951 4.170 0.000 0.000 0.298 215 I C -1.116 175.085 176.117 0.140 0.000 1.089 215 I CA -0.709 60.638 61.300 0.078 0.000 1.041 215 I CB 1.526 39.633 38.000 0.178 0.000 1.235 215 I HN 0.773 nan 8.210 nan 0.000 0.423 216 A N 6.464 129.351 122.820 0.110 0.000 2.527 216 A HA 0.906 5.226 4.320 0.000 0.000 0.293 216 A C -1.319 176.398 177.584 0.220 0.000 1.117 216 A CA -0.739 51.407 52.037 0.182 0.000 0.723 216 A CB 1.888 20.804 19.000 -0.139 0.000 1.313 216 A HN 0.779 nan 8.150 nan 0.000 0.411 217 R N -0.193 120.390 120.500 0.138 0.000 2.771 217 R HA 0.883 5.223 4.340 0.000 0.000 0.274 217 R C -1.022 175.106 176.300 -0.286 0.000 0.987 217 R CA -0.316 55.591 56.100 -0.322 0.000 0.908 217 R CB 1.885 31.367 30.300 -1.363 0.000 1.213 217 R HN 0.851 nan 8.270 nan 0.000 0.468 218 S N -0.676 114.812 115.700 -0.354 0.000 2.570 218 S HA 0.268 4.738 4.470 0.000 0.000 0.270 218 S C 0.291 174.898 174.600 0.012 0.000 1.149 218 S CA -0.129 57.862 58.200 -0.349 0.000 0.837 218 S CB 1.818 64.413 63.200 -1.008 0.000 1.124 218 S HN 0.758 nan 8.310 nan 0.000 0.465 219 T N -0.511 114.067 114.554 0.041 0.000 3.054 219 T HA 0.231 4.581 4.350 0.000 0.000 0.259 219 T C 0.894 175.681 174.700 0.146 0.000 1.092 219 T CA 0.601 62.728 62.100 0.044 0.000 1.121 219 T CB -0.083 68.760 68.868 -0.043 0.000 0.912 219 T HN 0.486 nan 8.240 nan 0.000 0.489 220 S N 0.682 116.415 115.700 0.055 0.000 2.480 220 S HA 0.433 4.903 4.470 0.000 0.000 0.286 220 S C 0.871 175.408 174.600 -0.105 0.000 1.180 220 S CA -0.940 57.289 58.200 0.048 0.000 1.075 220 S CB 1.165 64.368 63.200 0.005 0.000 0.996 220 S HN 0.260 nan 8.310 nan 0.000 0.487 221 L N 5.508 126.543 121.223 -0.312 0.000 2.187 221 L HA 0.046 4.386 4.340 0.000 0.000 0.213 221 L C 0.928 177.556 176.870 -0.403 0.000 1.100 221 L CA 1.941 56.322 54.840 -0.764 0.000 0.765 221 L CB -0.626 40.819 42.059 -1.024 0.000 0.904 221 L HN 0.884 nan 8.230 nan 0.000 0.437 222 Y N -0.081 120.109 120.300 -0.182 0.000 2.461 222 Y HA 0.446 4.996 4.550 0.000 0.000 0.277 222 Y C 1.518 177.423 175.900 0.008 0.000 1.182 222 Y CA 0.195 58.264 58.100 -0.051 0.000 1.276 222 Y CB -0.464 37.964 38.460 -0.054 0.000 1.087 222 Y HN 0.280 nan 8.280 nan 0.000 0.519 223 G N 0.929 109.697 108.800 -0.053 0.000 2.725 223 G HA2 -0.210 3.751 3.960 0.000 0.000 0.220 223 G HA3 -0.210 3.751 3.960 0.000 0.000 0.220 223 G C -2.628 172.216 174.900 -0.093 0.000 1.357 223 G CA -0.998 43.980 45.100 -0.204 0.000 0.866 223 G HN 0.064 nan 8.290 nan 0.000 0.548 224 P HA 0.420 nan 4.420 nan 0.000 0.275 224 P C -1.080 176.164 177.300 -0.093 0.000 1.228 224 P CA 0.041 63.151 63.100 0.017 0.000 0.786 224 P CB 0.368 32.094 31.700 0.045 0.000 0.927 225 Y N 0.510 120.868 120.300 0.097 0.000 2.341 225 Y HA 0.174 4.724 4.550 0.000 0.000 0.340 225 Y C 1.273 177.241 175.900 0.113 0.000 0.997 225 Y CA -0.362 57.772 58.100 0.057 0.000 1.149 225 Y CB 0.902 39.331 38.460 -0.052 0.000 1.171 225 Y HN 0.390 nan 8.280 nan 0.000 0.494 226 E N 1.791 122.102 120.200 0.185 0.000 2.313 226 E HA 0.461 4.811 4.350 0.000 0.000 0.276 226 E C -1.036 175.721 176.600 0.263 0.000 1.031 226 E CA -0.783 55.736 56.400 0.197 0.000 0.857 226 E CB 1.267 31.065 29.700 0.164 0.000 1.040 226 E HN 0.252 nan 8.360 nan 0.000 0.408 227 V N 3.422 123.430 119.914 0.157 0.000 2.649 227 V HA -0.034 4.086 4.120 0.000 0.000 0.292 227 V C 0.702 176.617 176.094 -0.298 0.000 1.055 227 V CA -0.603 61.728 62.300 0.051 0.000 1.023 227 V CB 0.801 32.665 31.823 0.068 0.000 0.992 227 V HN 0.746 nan 8.190 nan 0.000 0.480 228 H N 8.089 126.721 119.070 -0.730 0.000 3.209 228 H HA -0.057 4.499 4.556 0.000 0.000 0.297 228 H C -1.440 173.353 175.328 -0.891 0.000 0.936 228 H CA -0.699 54.502 56.048 -1.413 0.000 1.392 228 H CB 1.152 30.439 29.762 -0.792 0.000 1.349 228 H HN 0.422 nan 8.280 nan 0.000 0.568 229 P HA -0.084 nan 4.420 nan 0.000 0.223 229 P C 0.094 177.330 177.300 -0.106 0.000 1.151 229 P CA 1.079 63.978 63.100 -0.335 0.000 0.787 229 P CB 0.552 32.058 31.700 -0.325 0.000 0.788 230 D N -0.454 119.977 120.400 0.052 0.000 2.755 230 D HA 0.094 4.734 4.640 0.000 0.000 0.257 230 D C 0.130 176.279 176.300 -0.252 0.000 1.291 230 D CA -0.373 53.607 54.000 -0.032 0.000 0.836 230 D CB -0.571 40.299 40.800 0.116 0.000 1.059 230 D HN 0.101 nan 8.370 nan 0.000 0.486 231 N N 2.701 121.249 118.700 -0.254 0.000 2.441 231 N HA 0.064 4.804 4.740 0.000 0.000 0.251 231 N C -2.136 173.271 175.510 -0.171 0.000 1.242 231 N CA -0.615 52.266 53.050 -0.282 0.000 0.898 231 N CB 0.731 39.113 38.487 -0.176 0.000 1.100 231 N HN -0.036 nan 8.380 nan 0.000 0.443 232 P HA 0.028 nan 4.420 nan 0.000 0.274 232 P C 0.620 177.744 177.300 -0.294 0.000 1.231 232 P CA -0.418 62.570 63.100 -0.185 0.000 0.790 232 P CB 0.827 32.464 31.700 -0.104 0.000 0.951 233 L N 1.604 122.624 121.223 -0.339 0.000 2.093 233 L HA 0.098 4.438 4.340 0.000 0.000 0.208 233 L C 0.591 177.324 176.870 -0.228 0.000 1.085 233 L CA 1.748 56.357 54.840 -0.386 0.000 0.755 233 L CB -0.485 41.392 42.059 -0.303 0.000 0.904 233 L HN 0.400 nan 8.230 nan 0.000 0.435 234 L N -1.473 119.653 121.223 -0.163 0.000 2.513 234 L HA 0.608 4.948 4.340 0.000 0.000 0.261 234 L C -0.990 175.837 176.870 -0.072 0.000 0.945 234 L CA 0.235 55.000 54.840 -0.124 0.000 0.848 234 L CB 2.001 43.946 42.059 -0.190 0.000 1.334 234 L HN -0.040 nan 8.230 nan 0.000 0.407 235 T N 1.245 115.813 114.554 0.024 0.000 2.977 235 T HA 0.384 4.734 4.350 0.000 0.000 0.345 235 T C -0.112 174.731 174.700 0.239 0.000 1.562 235 T CA 0.132 62.293 62.100 0.102 0.000 1.090 235 T CB 1.420 70.359 68.868 0.119 0.000 1.383 235 T HN 0.562 nan 8.240 nan 0.000 0.484 236 S N 1.419 117.271 115.700 0.253 0.000 2.524 236 S HA 0.103 4.573 4.470 0.000 0.000 0.215 236 S C 1.256 175.989 174.600 0.221 0.000 0.986 236 S CA -0.224 58.172 58.200 0.326 0.000 0.911 236 S CB -0.189 63.172 63.200 0.269 0.000 0.805 236 S HN 0.754 nan 8.310 nan 0.000 0.501 237 W N 4.308 125.626 121.300 0.030 0.000 2.302 237 W HA -0.150 4.510 4.660 0.000 0.000 0.320 237 W C -1.786 174.623 176.519 -0.183 0.000 1.241 237 W CA 1.706 59.030 57.345 -0.035 0.000 1.264 237 W CB -1.265 28.175 29.460 -0.034 0.000 1.154 237 W HN 0.205 nan 8.180 nan 0.000 0.483 238 P HA -0.026 nan 4.420 nan 0.000 0.249 238 P C -1.099 175.598 177.300 -1.003 0.000 1.241 238 P CA 1.050 63.502 63.100 -1.080 0.000 0.781 238 P CB -0.431 30.694 31.700 -0.959 0.000 1.088 239 Y N -0.290 119.897 120.300 -0.188 0.000 2.658 239 Y HA 0.306 4.856 4.550 0.000 0.000 0.362 239 Y C -1.628 174.214 175.900 -0.097 0.000 1.017 239 Y CA -3.068 54.965 58.100 -0.111 0.000 1.134 239 Y CB 0.509 38.944 38.460 -0.043 0.000 1.144 239 Y HN -0.010 nan 8.280 nan 0.000 0.655 240 P HA -0.040 nan 4.420 nan 0.000 0.234 240 P C 0.775 178.062 177.300 -0.022 0.000 1.167 240 P CA 1.036 64.083 63.100 -0.087 0.000 0.763 240 P CB 0.453 32.052 31.700 -0.169 0.000 0.835 241 R N -1.419 119.091 120.500 0.017 0.000 2.254 241 R HA 0.110 4.450 4.340 0.000 0.000 0.193 241 R C 1.065 177.396 176.300 0.051 0.000 0.929 241 R CA -0.343 55.771 56.100 0.024 0.000 1.038 241 R CB -0.276 30.031 30.300 0.013 0.000 1.009 241 R HN 0.062 nan 8.270 nan 0.000 0.512 242 N N 2.957 121.706 118.700 0.082 0.000 2.301 242 N HA -0.056 4.684 4.740 0.000 0.000 0.267 242 N C -1.636 173.935 175.510 0.102 0.000 1.304 242 N CA -0.637 52.465 53.050 0.086 0.000 0.851 242 N CB 1.116 39.672 38.487 0.116 0.000 1.070 242 N HN 0.011 nan 8.380 nan 0.000 0.483 243 P HA -0.093 nan 4.420 nan 0.000 0.222 243 P C 0.164 177.556 177.300 0.153 0.000 1.147 243 P CA 1.020 64.185 63.100 0.109 0.000 0.790 243 P CB 0.323 32.080 31.700 0.094 0.000 0.780 244 L N 0.706 122.021 121.223 0.154 0.000 2.259 244 L HA 0.240 4.580 4.340 0.000 0.000 0.288 244 L C 0.826 177.820 176.870 0.207 0.000 1.051 244 L CA -0.390 54.561 54.840 0.185 0.000 0.824 244 L CB 0.518 42.687 42.059 0.184 0.000 1.206 244 L HN -0.048 nan 8.230 nan 0.000 0.429 245 Q N 2.471 122.409 119.800 0.229 0.000 2.252 245 Q HA 0.351 4.692 4.340 0.000 0.000 0.256 245 Q C 0.104 176.229 176.000 0.208 0.000 1.020 245 Q CA -0.758 55.199 55.803 0.257 0.000 0.913 245 Q CB 1.558 30.521 28.738 0.376 0.000 1.286 245 Q HN 0.379 nan 8.270 nan 0.000 0.480 246 K N -1.305 119.210 120.400 0.192 0.000 3.160 246 K HA -0.200 4.120 4.320 0.000 0.000 0.280 246 K C -0.389 176.413 176.600 0.338 0.000 1.154 246 K CA 0.605 57.004 56.287 0.185 0.000 0.822 246 K CB -2.004 30.500 32.500 0.006 0.000 1.239 246 K HN 0.660 nan 8.250 nan 0.000 0.489 247 A N 1.044 124.010 122.820 0.242 0.000 2.484 247 A HA 0.536 4.856 4.320 0.000 0.000 0.268 247 A C 0.975 178.520 177.584 -0.065 0.000 1.114 247 A CA 0.984 53.107 52.037 0.142 0.000 0.780 247 A CB 0.385 19.372 19.000 -0.022 0.000 1.061 247 A HN 0.664 nan 8.150 nan 0.000 0.505 248 G N 0.505 109.231 108.800 -0.123 0.000 2.325 248 G HA2 0.446 4.406 3.960 0.000 0.000 0.295 248 G HA3 0.446 4.406 3.960 0.000 0.000 0.295 248 G C -0.348 174.497 174.900 -0.092 0.000 1.274 248 G CA 0.001 44.762 45.100 -0.564 0.000 0.857 248 G HN 1.597 nan 8.290 nan 0.000 0.499 249 H N -0.855 118.127 119.070 -0.147 0.000 2.499 249 H HA 0.044 4.600 4.556 0.000 0.000 0.321 249 H C 0.552 176.017 175.328 0.228 0.000 1.026 249 H CA 1.219 57.374 56.048 0.178 0.000 1.077 249 H CB -0.918 29.041 29.762 0.328 0.000 1.612 249 H HN 1.428 nan 8.280 nan 0.000 0.374 250 A N 2.094 125.061 122.820 0.246 0.000 2.281 250 A HA 0.797 5.117 4.320 0.000 0.000 0.329 250 A C -0.023 177.783 177.584 0.370 0.000 1.122 250 A CA 0.082 52.296 52.037 0.295 0.000 0.850 250 A CB 1.296 20.409 19.000 0.189 0.000 1.207 250 A HN 0.827 nan 8.150 nan 0.000 0.495 251 S N -0.344 115.552 115.700 0.326 0.000 2.540 251 S HA 0.677 5.147 4.470 0.000 0.000 0.275 251 S C -0.839 173.931 174.600 0.283 0.000 1.123 251 S CA -0.491 57.907 58.200 0.330 0.000 0.907 251 S CB 0.837 64.162 63.200 0.207 0.000 1.081 251 S HN 0.545 nan 8.310 nan 0.000 0.476 252 I N 2.121 122.831 120.570 0.233 0.000 2.365 252 I HA 0.502 4.673 4.170 0.000 0.000 0.291 252 I C -0.476 175.806 176.117 0.274 0.000 1.004 252 I CA -0.796 60.562 61.300 0.098 0.000 1.311 252 I CB 1.582 39.366 38.000 -0.360 0.000 1.401 252 I HN 0.511 nan 8.210 nan 0.000 0.491 253 V N 6.913 127.039 119.914 0.352 0.000 2.540 253 V HA 0.329 4.450 4.120 0.000 0.000 0.302 253 V C -0.765 175.510 176.094 0.301 0.000 1.035 253 V CA -0.386 62.136 62.300 0.370 0.000 0.873 253 V CB 1.750 33.805 31.823 0.387 0.000 0.992 253 V HN 0.740 nan 8.190 nan 0.000 0.428 254 H N 4.953 123.988 119.070 -0.058 0.000 2.623 254 H HA 0.444 5.000 4.556 0.000 0.000 0.299 254 H C 0.313 175.538 175.328 -0.172 0.000 1.052 254 H CA -0.254 55.437 56.048 -0.596 0.000 1.231 254 H CB 1.098 30.181 29.762 -1.131 0.000 1.389 254 H HN 0.868 nan 8.280 nan 0.000 0.469 255 T N 1.312 115.868 114.554 0.004 0.000 2.802 255 T HA -0.095 4.255 4.350 0.000 0.000 0.305 255 T C 1.723 176.348 174.700 -0.124 0.000 1.053 255 T CA -0.392 61.764 62.100 0.094 0.000 1.058 255 T CB 0.736 69.618 68.868 0.024 0.000 0.988 255 T HN 0.807 nan 8.240 nan 0.000 0.539 256 H N 0.112 119.184 119.070 0.003 0.000 2.491 256 H HA -0.050 4.506 4.556 0.000 0.000 0.290 256 H C 1.696 176.991 175.328 -0.056 0.000 1.050 256 H CA 1.580 57.582 56.048 -0.077 0.000 1.309 256 H CB -1.383 28.368 29.762 -0.018 0.000 1.392 256 H HN 0.793 nan 8.280 nan 0.000 0.554 257 T N -1.979 112.280 114.554 -0.490 0.000 3.160 257 T HA -0.014 4.336 4.350 0.000 0.000 0.257 257 T C 0.362 175.006 174.700 -0.092 0.000 1.147 257 T CA 0.611 62.543 62.100 -0.281 0.000 1.064 257 T CB -0.419 68.269 68.868 -0.299 0.000 0.949 257 T HN 0.345 nan 8.240 nan 0.000 0.526 258 D N 0.711 121.060 120.400 -0.085 0.000 2.947 258 D HA -0.134 4.506 4.640 0.000 0.000 0.224 258 D C -0.467 175.909 176.300 0.128 0.000 1.132 258 D CA 0.711 54.762 54.000 0.085 0.000 0.801 258 D CB -1.389 39.484 40.800 0.120 0.000 1.097 258 D HN 0.815 nan 8.370 nan 0.000 0.431 259 E N -0.955 119.285 120.200 0.068 0.000 2.249 259 E HA 0.667 5.017 4.350 0.000 0.000 0.263 259 E C -0.357 176.232 176.600 -0.019 0.000 0.950 259 E CA -0.858 55.605 56.400 0.106 0.000 0.827 259 E CB 1.021 30.846 29.700 0.209 0.000 1.220 259 E HN 0.112 nan 8.360 nan 0.000 0.411 260 W N 0.954 122.252 121.300 -0.004 0.000 2.656 260 W HA 0.509 5.169 4.660 0.000 0.000 0.327 260 W C -1.011 175.293 176.519 -0.358 0.000 1.041 260 W CA -0.358 56.999 57.345 0.021 0.000 1.229 260 W CB 0.955 30.482 29.460 0.111 0.000 1.397 260 W HN 0.362 nan 8.180 nan 0.000 0.479 261 F N 2.507 122.642 119.950 0.308 0.000 2.613 261 F HA 0.645 5.173 4.527 0.000 0.000 0.314 261 F C -0.893 175.024 175.800 0.195 0.000 1.075 261 F CA -1.289 56.831 58.000 0.200 0.000 0.945 261 F CB 1.707 40.787 39.000 0.133 0.000 1.310 261 F HN -0.014 nan 8.300 nan 0.000 0.467 262 L N 3.453 124.886 121.223 0.349 0.000 2.406 262 L HA 0.689 5.029 4.340 0.000 0.000 0.270 262 L C -0.936 176.117 176.870 0.304 0.000 0.982 262 L CA -0.675 54.325 54.840 0.265 0.000 0.843 262 L CB 1.429 43.584 42.059 0.159 0.000 1.225 262 L HN 0.473 nan 8.230 nan 0.000 0.412 263 V N 2.014 122.086 119.914 0.263 0.000 2.686 263 V HA 0.823 4.943 4.120 0.000 0.000 0.295 263 V C -0.533 175.708 176.094 0.245 0.000 1.057 263 V CA 0.187 62.597 62.300 0.184 0.000 1.012 263 V CB 1.213 33.079 31.823 0.073 0.000 1.006 263 V HN 1.038 nan 8.190 nan 0.000 0.477 264 H N 2.555 121.687 119.070 0.103 0.000 3.014 264 H HA 0.722 5.278 4.556 0.000 0.000 0.337 264 H C -0.850 174.545 175.328 0.113 0.000 1.320 264 H CA -0.931 55.194 56.048 0.129 0.000 1.128 264 H CB 1.092 30.915 29.762 0.101 0.000 1.862 264 H HN 0.961 nan 8.280 nan 0.000 0.536 265 L N -0.726 120.629 121.223 0.220 0.000 2.456 265 L HA 0.846 5.186 4.340 0.000 0.000 0.257 265 L C 0.111 177.143 176.870 0.270 0.000 1.162 265 L CA -0.156 54.780 54.840 0.159 0.000 0.808 265 L CB 1.375 43.555 42.059 0.202 0.000 1.136 265 L HN 0.933 nan 8.230 nan 0.000 0.466 266 T N 0.001 114.658 114.554 0.172 0.000 2.885 266 T HA 0.705 5.055 4.350 0.000 0.000 0.322 266 T C -0.716 174.075 174.700 0.152 0.000 1.387 266 T CA -0.097 62.128 62.100 0.208 0.000 1.041 266 T CB 1.173 70.176 68.868 0.225 0.000 1.287 266 T HN 1.185 nan 8.240 nan 0.000 0.491 267 G N 2.200 111.092 108.800 0.153 0.000 2.461 267 G HA2 0.634 4.594 3.960 0.000 0.000 0.323 267 G HA3 0.634 4.594 3.960 0.000 0.000 0.323 267 G C -0.970 174.063 174.900 0.222 0.000 1.229 267 G CA -0.715 44.479 45.100 0.156 0.000 0.941 267 G HN 0.719 nan 8.290 nan 0.000 0.477 268 R N 3.005 123.678 120.500 0.288 0.000 2.247 268 R HA 0.274 4.614 4.340 0.000 0.000 0.329 268 R C -2.506 174.052 176.300 0.430 0.000 1.014 268 R CA -1.385 54.938 56.100 0.370 0.000 0.907 268 R CB 1.633 32.226 30.300 0.488 0.000 1.146 268 R HN 0.344 nan 8.270 nan 0.000 0.499 269 P HA -0.026 nan 4.420 nan 0.000 0.269 269 P C -0.032 177.362 177.300 0.157 0.000 1.215 269 P CA -0.147 63.126 63.100 0.287 0.000 0.780 269 P CB 0.642 32.486 31.700 0.240 0.000 0.898 270 L N 3.389 124.717 121.223 0.176 0.000 2.482 270 L HA 0.132 4.472 4.340 0.000 0.000 0.273 270 L C -1.700 175.163 176.870 -0.012 0.000 1.228 270 L CA -1.509 53.342 54.840 0.020 0.000 0.827 270 L CB -0.718 41.439 42.059 0.163 0.000 1.099 270 L HN 0.294 nan 8.230 nan 0.000 0.494 271 P HA 0.034 nan 4.420 nan 0.000 0.262 271 P C -0.426 176.867 177.300 -0.012 0.000 1.182 271 P CA 0.354 63.422 63.100 -0.052 0.000 0.761 271 P CB 0.372 32.031 31.700 -0.069 0.000 0.795 272 R N 1.117 121.612 120.500 -0.008 0.000 2.565 272 R HA 0.110 4.450 4.340 0.000 0.000 0.347 272 R C -0.181 176.109 176.300 -0.016 0.000 1.010 272 R CA -0.273 55.826 56.100 -0.002 0.000 1.126 272 R CB 0.348 30.652 30.300 0.007 0.000 1.331 272 R HN 0.554 nan 8.270 nan 0.000 0.552 273 E N 0.502 120.689 120.200 -0.021 0.000 2.502 273 E HA 0.079 4.429 4.350 0.000 0.000 0.261 273 E C 1.120 177.706 176.600 -0.024 0.000 0.974 273 E CA 1.370 57.756 56.400 -0.023 0.000 0.936 273 E CB 0.293 29.979 29.700 -0.024 0.000 0.926 273 E HN 0.379 nan 8.360 nan 0.000 0.459 274 G N 2.336 111.122 108.800 -0.023 0.000 2.195 274 G HA2 -0.295 3.665 3.960 0.000 0.000 0.246 274 G HA3 -0.295 3.665 3.960 0.000 0.000 0.246 274 G C -0.020 174.866 174.900 -0.024 0.000 0.984 274 G CA -0.099 44.987 45.100 -0.024 0.000 0.633 274 G HN 0.462 nan 8.290 nan 0.000 0.525 275 Q N 0.534 120.320 119.800 -0.023 0.000 2.266 275 Q HA 0.539 4.879 4.340 0.000 0.000 0.261 275 Q C -2.548 173.439 176.000 -0.022 0.000 0.985 275 Q CA -2.027 53.764 55.803 -0.021 0.000 0.873 275 Q CB 1.438 30.166 28.738 -0.016 0.000 1.306 275 Q HN 0.124 nan 8.270 nan 0.000 0.447 276 P HA -0.099 nan 4.420 nan 0.000 0.262 276 P C 0.157 177.434 177.300 -0.038 0.000 1.182 276 P CA 0.039 63.124 63.100 -0.026 0.000 0.761 276 P CB 0.481 32.170 31.700 -0.018 0.000 0.795 277 L N 4.337 125.530 121.223 -0.049 0.000 2.042 277 L HA -0.150 4.190 4.340 0.000 0.000 0.210 277 L C 1.502 178.313 176.870 -0.098 0.000 1.076 277 L CA 1.968 56.767 54.840 -0.068 0.000 0.749 277 L CB -0.429 41.588 42.059 -0.069 0.000 0.893 277 L HN 0.401 nan 8.230 nan 0.000 0.432 278 L N -1.719 119.450 121.223 -0.091 0.000 2.609 278 L HA 0.111 4.451 4.340 0.000 0.000 0.230 278 L C 2.180 178.995 176.870 -0.092 0.000 1.087 278 L CA 0.038 54.812 54.840 -0.111 0.000 0.874 278 L CB -0.068 41.932 42.059 -0.099 0.000 1.114 278 L HN 0.192 nan 8.230 nan 0.000 0.488 279 E N 0.321 120.489 120.200 -0.053 0.000 2.017 279 E HA -0.166 4.184 4.350 0.000 0.000 0.193 279 E C 0.663 177.260 176.600 -0.005 0.000 0.997 279 E CA 1.353 57.744 56.400 -0.015 0.000 0.804 279 E CB 0.219 29.925 29.700 0.011 0.000 0.757 279 E HN 0.187 nan 8.360 nan 0.000 0.448 280 H N -0.838 118.162 119.070 -0.117 0.000 2.840 280 H HA 0.357 4.913 4.556 0.000 0.000 0.340 280 H C -0.183 174.972 175.328 -0.287 0.000 1.004 280 H CA -0.471 55.471 56.048 -0.176 0.000 1.288 280 H CB 0.874 30.562 29.762 -0.124 0.000 1.607 280 H HN 0.046 nan 8.280 nan 0.000 0.522 281 R N 2.498 122.609 120.500 -0.649 0.000 2.310 281 R HA 0.225 4.566 4.340 0.000 0.000 0.202 281 R C 0.422 176.389 176.300 -0.553 0.000 0.933 281 R CA 0.503 56.152 56.100 -0.752 0.000 1.054 281 R CB 0.556 30.113 30.300 -1.238 0.000 0.985 281 R HN 0.822 nan 8.270 nan 0.000 0.489 282 G N -0.426 108.247 108.800 -0.212 0.000 2.347 282 G HA2 -0.096 3.864 3.960 0.000 0.000 0.477 282 G HA3 -0.096 3.864 3.960 0.000 0.000 0.477 282 G C -1.853 173.055 174.900 0.013 0.000 1.349 282 G CA -1.050 44.072 45.100 0.037 0.000 1.000 282 G HN 0.065 nan 8.290 nan 0.000 0.605 283 Y N -0.892 119.610 120.300 0.337 0.000 2.350 283 Y HA 0.566 5.116 4.550 0.000 0.000 0.338 283 Y C 0.461 176.555 175.900 0.323 0.000 0.961 283 Y CA -0.711 57.592 58.100 0.339 0.000 1.100 283 Y CB 2.216 40.864 38.460 0.314 0.000 1.179 283 Y HN 0.685 nan 8.280 nan 0.000 0.454 284 C N 5.682 125.238 119.300 0.426 0.000 2.317 284 C HA 0.232 4.692 4.460 0.000 0.000 0.306 284 C C -1.221 173.959 174.990 0.317 0.000 1.087 284 C CA -1.425 57.817 59.018 0.374 0.000 1.529 284 C CB 0.306 28.216 27.740 0.283 0.000 1.880 284 C HN 0.660 nan 8.230 nan 0.000 0.417 285 P HA -0.061 nan 4.420 nan 0.000 0.223 285 P C 0.926 178.307 177.300 0.136 0.000 1.151 285 P CA 1.177 64.400 63.100 0.206 0.000 0.787 285 P CB 0.257 32.145 31.700 0.313 0.000 0.788 286 L N -1.446 119.880 121.223 0.172 0.000 2.612 286 L HA 0.213 4.553 4.340 0.000 0.000 0.230 286 L C 1.582 178.512 176.870 0.100 0.000 1.140 286 L CA 0.284 55.166 54.840 0.070 0.000 0.896 286 L CB -1.250 40.749 42.059 -0.100 0.000 1.065 286 L HN 0.089 nan 8.230 nan 0.000 0.447 287 G N 1.485 110.378 108.800 0.155 0.000 2.564 287 G HA2 -0.321 3.639 3.960 0.000 0.000 0.273 287 G HA3 -0.321 3.639 3.960 0.000 0.000 0.273 287 G C -0.025 174.972 174.900 0.162 0.000 1.242 287 G CA -0.237 44.968 45.100 0.175 0.000 0.951 287 G HN 0.402 nan 8.290 nan 0.000 0.564 288 R N 1.227 121.832 120.500 0.176 0.000 2.265 288 R HA 0.522 4.862 4.340 0.000 0.000 0.319 288 R C 0.001 176.376 176.300 0.125 0.000 1.006 288 R CA -0.305 55.880 56.100 0.142 0.000 0.880 288 R CB 1.288 31.665 30.300 0.129 0.000 1.077 288 R HN 0.634 nan 8.270 nan 0.000 0.454 289 E N 0.827 121.074 120.200 0.079 0.000 2.249 289 E HA 0.301 4.651 4.350 0.000 0.000 0.263 289 E C -0.641 175.927 176.600 -0.054 0.000 0.950 289 E CA -0.862 55.549 56.400 0.019 0.000 0.827 289 E CB 1.912 31.606 29.700 -0.011 0.000 1.220 289 E HN 0.302 nan 8.360 nan 0.000 0.411 290 T N 1.056 115.514 114.554 -0.160 0.000 2.799 290 T HA 0.580 4.930 4.350 0.000 0.000 0.286 290 T C -0.575 173.934 174.700 -0.319 0.000 0.973 290 T CA -0.451 61.498 62.100 -0.252 0.000 1.035 290 T CB 1.065 69.735 68.868 -0.329 0.000 0.932 290 T HN 0.513 nan 8.240 nan 0.000 0.469 291 A N 3.236 125.790 122.820 -0.443 0.000 2.437 291 A HA 0.941 5.261 4.320 0.000 0.000 0.292 291 A C -1.166 176.217 177.584 -0.335 0.000 1.173 291 A CA -0.846 50.948 52.037 -0.405 0.000 0.785 291 A CB 1.264 20.022 19.000 -0.404 0.000 1.351 291 A HN 0.843 nan 8.150 nan 0.000 0.431 292 I N -0.681 119.862 120.570 -0.046 0.000 2.769 292 I HA 0.509 4.679 4.170 0.000 0.000 0.298 292 I C -1.477 174.799 176.117 0.265 0.000 1.128 292 I CA -0.504 60.882 61.300 0.143 0.000 1.031 292 I CB 2.048 40.122 38.000 0.124 0.000 1.235 292 I HN 0.629 nan 8.210 nan 0.000 0.423 293 Q N 5.708 125.702 119.800 0.322 0.000 2.389 293 Q HA 0.442 4.782 4.340 0.000 0.000 0.277 293 Q C -1.182 174.961 176.000 0.238 0.000 1.082 293 Q CA -0.773 55.179 55.803 0.247 0.000 0.810 293 Q CB 2.695 31.526 28.738 0.156 0.000 1.374 293 Q HN 0.659 nan 8.270 nan 0.000 0.422 294 R N 1.518 122.077 120.500 0.098 0.000 2.459 294 R HA 0.608 4.948 4.340 0.000 0.000 0.281 294 R C -0.785 175.424 176.300 -0.153 0.000 1.050 294 R CA -0.240 55.745 56.100 -0.191 0.000 1.055 294 R CB 0.566 30.724 30.300 -0.237 0.000 1.045 294 R HN 0.549 nan 8.270 nan 0.000 0.495 295 L N 2.847 123.942 121.223 -0.212 0.000 2.333 295 L HA 0.495 4.835 4.340 0.000 0.000 0.269 295 L C -0.315 176.473 176.870 -0.136 0.000 1.010 295 L CA -0.747 53.994 54.840 -0.166 0.000 0.818 295 L CB 1.971 43.922 42.059 -0.181 0.000 1.306 295 L HN 0.785 nan 8.230 nan 0.000 0.430 296 E N 0.447 120.541 120.200 -0.177 0.000 2.369 296 E HA 0.494 4.844 4.350 0.000 0.000 0.270 296 E C -2.000 174.484 176.600 -0.193 0.000 0.909 296 E CA -0.939 55.420 56.400 -0.068 0.000 0.775 296 E CB 1.711 31.407 29.700 -0.006 0.000 1.270 296 E HN 0.348 nan 8.360 nan 0.000 0.445 297 W N 0.918 122.186 121.300 -0.053 0.000 2.573 297 W HA 0.518 5.178 4.660 0.000 0.000 0.326 297 W C -0.270 176.272 176.519 0.039 0.000 1.049 297 W CA -0.624 56.693 57.345 -0.048 0.000 1.220 297 W CB 1.920 31.256 29.460 -0.206 0.000 1.373 297 W HN 0.137 nan 8.180 nan 0.000 0.507 298 K N 2.542 123.157 120.400 0.358 0.000 2.553 298 K HA 0.099 4.419 4.320 0.000 0.000 0.250 298 K C -0.790 176.012 176.600 0.336 0.000 0.953 298 K CA -0.554 55.892 56.287 0.265 0.000 0.800 298 K CB 1.979 34.541 32.500 0.103 0.000 1.243 298 K HN 0.604 nan 8.250 nan 0.000 0.435 299 D N 1.882 122.418 120.400 0.225 0.000 2.702 299 D HA -0.212 4.429 4.640 0.000 0.000 0.233 299 D C 0.693 177.071 176.300 0.130 0.000 1.164 299 D CA 1.808 55.924 54.000 0.194 0.000 0.638 299 D CB -0.908 40.029 40.800 0.228 0.000 1.041 299 D HN 1.065 nan 8.370 nan 0.000 0.422 300 G N -1.375 107.509 108.800 0.140 0.000 2.160 300 G HA2 -0.286 3.674 3.960 0.000 0.000 0.251 300 G HA3 -0.286 3.674 3.960 0.000 0.000 0.251 300 G C -0.144 174.712 174.900 -0.073 0.000 1.008 300 G CA 0.400 45.536 45.100 0.060 0.000 0.724 300 G HN 0.407 nan 8.290 nan 0.000 0.514 301 W N 0.248 121.677 121.300 0.214 0.000 2.785 301 W HA 0.574 5.234 4.660 0.000 0.000 0.333 301 W C -2.070 174.139 176.519 -0.516 0.000 1.062 301 W CA -2.549 54.675 57.345 -0.201 0.000 1.233 301 W CB 2.180 31.295 29.460 -0.574 0.000 1.413 301 W HN -0.025 nan 8.180 nan 0.000 0.489 302 P HA 0.295 nan 4.420 nan 0.000 0.281 302 P C -1.513 175.465 177.300 -0.536 0.000 1.249 302 P CA -0.247 62.141 63.100 -1.186 0.000 0.810 302 P CB 1.406 32.186 31.700 -1.533 0.000 1.008 303 Y N -0.819 119.259 120.300 -0.371 0.000 2.457 303 Y HA 0.250 4.800 4.550 0.000 0.000 0.343 303 Y C 0.098 175.876 175.900 -0.204 0.000 0.994 303 Y CA -1.148 56.842 58.100 -0.183 0.000 1.031 303 Y CB 2.119 40.519 38.460 -0.101 0.000 1.246 303 Y HN 0.001 nan 8.280 nan 0.000 0.449 304 V N 4.577 124.473 119.914 -0.031 0.000 2.479 304 V HA 0.050 4.170 4.120 0.000 0.000 0.281 304 V C -0.001 176.087 176.094 -0.011 0.000 1.031 304 V CA -0.499 61.773 62.300 -0.046 0.000 1.038 304 V CB 0.523 32.305 31.823 -0.069 0.000 0.981 304 V HN 0.520 nan 8.190 nan 0.000 0.478 305 V N 5.392 125.290 119.914 -0.027 0.000 2.540 305 V HA 0.386 4.506 4.120 0.000 0.000 0.297 305 V C 1.232 177.311 176.094 -0.025 0.000 1.024 305 V CA 1.217 63.502 62.300 -0.024 0.000 1.105 305 V CB 0.257 32.062 31.823 -0.031 0.000 0.938 305 V HN 1.300 nan 8.190 nan 0.000 0.482 306 G N 3.380 112.161 108.800 -0.032 0.000 2.203 306 G HA2 0.273 4.233 3.960 0.000 0.000 0.231 306 G HA3 0.273 4.233 3.960 0.000 0.000 0.231 306 G C 0.622 175.479 174.900 -0.072 0.000 1.058 306 G CA -0.027 45.044 45.100 -0.047 0.000 0.781 306 G HN 2.290 nan 8.290 nan 0.000 0.496 307 G N -0.155 108.616 108.800 -0.049 0.000 2.760 307 G HA2 0.125 4.085 3.960 0.000 0.000 0.246 307 G HA3 0.125 4.085 3.960 0.000 0.000 0.246 307 G C 0.510 175.382 174.900 -0.046 0.000 1.359 307 G CA 0.433 45.505 45.100 -0.047 0.000 0.861 307 G HN 1.957 nan 8.290 nan 0.000 0.541 308 N N 0.510 119.206 118.700 -0.007 0.000 2.322 308 N HA 0.310 5.050 4.740 0.000 0.000 0.194 308 N C 0.938 176.471 175.510 0.039 0.000 1.126 308 N CA 1.218 54.275 53.050 0.012 0.000 0.845 308 N CB 0.042 38.545 38.487 0.026 0.000 0.976 308 N HN 1.224 nan 8.380 nan 0.000 0.475 309 G N 0.823 109.548 108.800 -0.124 0.000 2.451 309 G HA2 0.461 4.422 3.960 0.000 0.000 0.303 309 G HA3 0.461 4.422 3.960 0.000 0.000 0.303 309 G C -2.771 172.043 174.900 -0.143 0.000 1.166 309 G CA -1.288 43.696 45.100 -0.192 0.000 0.884 309 G HN 0.127 nan 8.290 nan 0.000 0.514 310 P HA 0.222 nan 4.420 nan 0.000 0.281 310 P C -0.255 177.048 177.300 0.005 0.000 1.252 310 P CA -0.234 62.857 63.100 -0.015 0.000 0.778 310 P CB 1.415 33.153 31.700 0.064 0.000 0.895 311 S N 2.673 118.387 115.700 0.024 0.000 2.565 311 S HA 0.093 4.564 4.470 0.000 0.000 0.274 311 S C 1.396 176.036 174.600 0.067 0.000 1.309 311 S CA -0.487 57.729 58.200 0.027 0.000 1.043 311 S CB 0.636 63.850 63.200 0.025 0.000 0.939 311 S HN 0.436 nan 8.310 nan 0.000 0.504 312 L N 2.287 123.544 121.223 0.056 0.000 2.093 312 L HA 0.159 4.499 4.340 0.000 0.000 0.208 312 L C 0.792 177.703 176.870 0.069 0.000 1.085 312 L CA 1.689 56.571 54.840 0.070 0.000 0.755 312 L CB -0.115 41.981 42.059 0.061 0.000 0.904 312 L HN 0.766 nan 8.230 nan 0.000 0.435 313 E N -0.216 120.020 120.200 0.059 0.000 2.248 313 E HA 0.500 4.850 4.350 0.000 0.000 0.267 313 E C -1.021 175.620 176.600 0.068 0.000 0.877 313 E CA -0.722 55.715 56.400 0.061 0.000 0.759 313 E CB 1.489 31.218 29.700 0.047 0.000 1.182 313 E HN 0.284 nan 8.360 nan 0.000 0.418 314 I N -0.319 120.303 120.570 0.087 0.000 3.108 314 I HA 0.575 4.745 4.170 0.000 0.000 0.312 314 I C -0.905 175.280 176.117 0.113 0.000 1.095 314 I CA -1.062 60.304 61.300 0.110 0.000 1.000 314 I CB 2.137 40.238 38.000 0.168 0.000 1.229 314 I HN 0.239 nan 8.210 nan 0.000 0.454 315 D N 3.005 123.485 120.400 0.133 0.000 2.295 315 D HA 0.343 4.983 4.640 0.000 0.000 0.248 315 D C 0.305 176.737 176.300 0.221 0.000 1.154 315 D CA 0.181 54.260 54.000 0.132 0.000 0.857 315 D CB 1.823 42.687 40.800 0.106 0.000 1.117 315 D HN 0.860 nan 8.370 nan 0.000 0.468 316 G N 2.765 111.635 108.800 0.116 0.000 2.684 316 G HA2 0.261 4.221 3.960 0.000 0.000 0.255 316 G HA3 0.261 4.221 3.960 0.000 0.000 0.255 316 G C -2.157 172.802 174.900 0.098 0.000 1.219 316 G CA -0.714 44.400 45.100 0.023 0.000 0.901 316 G HN 0.278 nan 8.290 nan 0.000 0.548 317 P HA 0.116 nan 4.420 nan 0.000 0.272 317 P C 0.304 177.599 177.300 -0.009 0.000 1.240 317 P CA -0.237 62.892 63.100 0.048 0.000 0.791 317 P CB 0.826 32.430 31.700 -0.160 0.000 0.978 318 S N -0.094 115.609 115.700 0.005 0.000 4.120 318 S HA 0.347 4.817 4.470 0.000 0.000 0.215 318 S C 0.403 174.980 174.600 -0.039 0.000 1.347 318 S CA -0.525 57.668 58.200 -0.013 0.000 0.889 318 S CB -1.684 61.515 63.200 -0.000 0.000 1.585 318 S HN 0.412 nan 8.310 nan 0.000 0.447 319 V N -1.405 118.480 119.914 -0.048 0.000 3.078 319 V HA 0.625 4.746 4.120 0.000 0.000 0.311 319 V C -0.485 175.577 176.094 -0.052 0.000 1.138 319 V CA -1.575 60.704 62.300 -0.035 0.000 1.007 319 V CB 1.184 32.996 31.823 -0.018 0.000 1.045 319 V HN 0.494 nan 8.190 nan 0.000 0.432 320 E N 1.204 121.376 120.200 -0.046 0.000 2.452 320 E HA 0.128 4.478 4.350 0.000 0.000 0.261 320 E C -0.058 176.471 176.600 -0.118 0.000 0.987 320 E CA 0.317 56.674 56.400 -0.072 0.000 0.926 320 E CB 0.645 30.306 29.700 -0.065 0.000 0.934 320 E HN 0.852 nan 8.360 nan 0.000 0.452 321 E N 2.357 122.478 120.200 -0.132 0.000 2.366 321 E HA 0.072 4.422 4.350 0.000 0.000 0.266 321 E C -1.246 175.203 176.600 -0.251 0.000 1.015 321 E CA -0.221 56.069 56.400 -0.184 0.000 0.906 321 E CB 0.548 30.155 29.700 -0.153 0.000 0.979 321 E HN 0.144 nan 8.360 nan 0.000 0.443 322 V N 4.986 124.677 119.914 -0.372 0.000 2.325 322 V HA 0.208 4.328 4.120 0.000 0.000 0.280 322 V C -0.043 175.510 176.094 -0.901 0.000 1.016 322 V CA -0.621 61.336 62.300 -0.572 0.000 0.818 322 V CB 1.115 32.595 31.823 -0.572 0.000 1.019 322 V HN 0.694 nan 8.190 nan 0.000 0.434 323 S N 4.216 119.480 115.700 -0.727 0.000 2.693 323 S HA 0.735 5.205 4.470 0.000 0.000 0.276 323 S C -1.120 173.033 174.600 -0.746 0.000 1.192 323 S CA -0.385 57.413 58.200 -0.670 0.000 0.994 323 S CB 0.977 64.000 63.200 -0.294 0.000 1.012 323 S HN 0.557 nan 8.310 nan 0.000 0.550 324 W N 0.884 122.178 121.300 -0.011 0.000 2.761 324 W HA 0.471 5.131 4.660 0.000 0.000 0.340 324 W C -0.055 176.486 176.519 0.037 0.000 1.072 324 W CA -0.829 56.529 57.345 0.022 0.000 1.215 324 W CB 0.834 30.323 29.460 0.049 0.000 1.420 324 W HN 0.623 nan 8.180 nan 0.000 0.519 325 E N 2.537 122.916 120.200 0.298 0.000 2.354 325 E HA 0.053 4.403 4.350 0.000 0.000 0.269 325 E C 0.030 176.740 176.600 0.182 0.000 1.036 325 E CA -0.510 55.995 56.400 0.175 0.000 0.876 325 E CB 0.758 30.536 29.700 0.130 0.000 1.009 325 E HN 0.346 nan 8.360 nan 0.000 0.416 326 K N 2.670 123.141 120.400 0.119 0.000 2.530 326 K HA -0.131 4.189 4.320 0.000 0.000 0.280 326 K C 0.085 176.759 176.600 0.123 0.000 1.004 326 K CA 0.628 56.976 56.287 0.101 0.000 1.071 326 K CB 0.321 32.800 32.500 -0.034 0.000 0.876 326 K HN 0.454 nan 8.250 nan 0.000 0.487 327 D N 3.548 124.099 120.400 0.250 0.000 2.424 327 D HA 0.022 4.662 4.640 0.000 0.000 0.220 327 D C -0.574 175.898 176.300 0.286 0.000 1.150 327 D CA -0.070 54.077 54.000 0.245 0.000 0.831 327 D CB -0.294 40.707 40.800 0.334 0.000 0.981 327 D HN 0.476 nan 8.370 nan 0.000 0.500 328 Y N -2.011 118.376 120.300 0.146 0.000 2.597 328 Y HA 0.590 5.140 4.550 0.000 0.000 0.340 328 Y C -1.348 174.608 175.900 0.094 0.000 1.097 328 Y CA -1.497 56.678 58.100 0.125 0.000 1.037 328 Y CB 0.938 39.539 38.460 0.236 0.000 1.305 328 Y HN -0.369 nan 8.280 nan 0.000 0.463 329 D N 2.321 122.767 120.400 0.077 0.000 2.256 329 D HA 0.071 4.711 4.640 0.000 0.000 0.250 329 D C 0.801 177.114 176.300 0.021 0.000 1.093 329 D CA -0.149 53.832 54.000 -0.032 0.000 0.882 329 D CB 1.936 42.753 40.800 0.028 0.000 1.185 329 D HN 0.945 nan 8.370 nan 0.000 0.437 330 E N 2.285 122.424 120.200 -0.101 0.000 2.085 330 E HA -0.202 4.148 4.350 0.000 0.000 0.194 330 E C 0.151 176.809 176.600 0.098 0.000 0.994 330 E CA 1.041 57.453 56.400 0.021 0.000 0.801 330 E CB 0.295 29.956 29.700 -0.065 0.000 0.743 330 E HN 0.205 nan 8.360 nan 0.000 0.453 331 K N 1.444 121.858 120.400 0.024 0.000 2.404 331 K HA 0.058 4.378 4.320 0.000 0.000 0.257 331 K C -1.335 175.275 176.600 0.017 0.000 1.026 331 K CA -0.535 55.758 56.287 0.010 0.000 0.951 331 K CB 1.023 33.445 32.500 -0.131 0.000 1.203 331 K HN -0.064 nan 8.250 nan 0.000 0.446 332 D N 3.466 123.909 120.400 0.072 0.000 2.336 332 D HA 0.031 4.671 4.640 0.000 0.000 0.249 332 D C 0.077 176.227 176.300 -0.251 0.000 1.213 332 D CA 0.036 54.011 54.000 -0.040 0.000 0.870 332 D CB 1.074 41.893 40.800 0.032 0.000 1.076 332 D HN 0.528 nan 8.370 nan 0.000 0.483 333 D N 3.015 123.333 120.400 -0.137 0.000 2.355 333 D HA -0.071 4.569 4.640 0.000 0.000 0.218 333 D C 0.260 176.567 176.300 0.012 0.000 1.004 333 D CA 0.084 54.039 54.000 -0.074 0.000 0.880 333 D CB 0.091 40.875 40.800 -0.026 0.000 0.911 333 D HN 0.417 nan 8.370 nan 0.000 0.528 334 F N 0.402 120.431 119.950 0.130 0.000 3.080 334 F HA -0.204 4.323 4.527 0.000 0.000 0.292 334 F C 0.899 176.736 175.800 0.062 0.000 0.891 334 F CA -0.071 57.984 58.000 0.092 0.000 1.086 334 F CB -2.092 36.958 39.000 0.083 0.000 1.095 334 F HN 0.026 nan 8.300 nan 0.000 0.633 335 D N -0.546 119.969 120.400 0.191 0.000 2.354 335 D HA 0.141 4.782 4.640 0.000 0.000 0.209 335 D C 1.759 178.129 176.300 0.116 0.000 1.015 335 D CA 0.977 55.054 54.000 0.130 0.000 0.867 335 D CB 0.151 41.001 40.800 0.083 0.000 0.933 335 D HN 0.438 nan 8.370 nan 0.000 0.520 336 G N 1.511 110.391 108.800 0.134 0.000 2.606 336 G HA2 0.072 4.032 3.960 0.000 0.000 0.252 336 G HA3 0.072 4.032 3.960 0.000 0.000 0.252 336 G C 0.666 175.624 174.900 0.096 0.000 1.206 336 G CA -0.257 44.906 45.100 0.105 0.000 0.861 336 G HN 0.009 nan 8.290 nan 0.000 0.561 337 D N -1.577 118.863 120.400 0.067 0.000 2.349 337 D HA 0.053 4.693 4.640 0.000 0.000 0.214 337 D C 0.488 176.815 176.300 0.045 0.000 1.063 337 D CA 0.114 54.146 54.000 0.052 0.000 0.847 337 D CB 0.484 41.308 40.800 0.039 0.000 0.933 337 D HN 0.202 nan 8.370 nan 0.000 0.513 338 T N 0.314 114.901 114.554 0.055 0.000 3.032 338 T HA 0.362 4.712 4.350 0.000 0.000 0.312 338 T C -0.543 174.205 174.700 0.080 0.000 1.078 338 T CA -0.690 61.440 62.100 0.050 0.000 1.028 338 T CB 0.977 69.867 68.868 0.036 0.000 1.091 338 T HN 0.015 nan 8.240 nan 0.000 0.457 339 L N 4.669 125.938 121.223 0.077 0.000 2.578 339 L HA 0.114 4.454 4.340 0.000 0.000 0.279 339 L C 1.486 178.479 176.870 0.205 0.000 1.227 339 L CA -0.092 54.831 54.840 0.138 0.000 0.900 339 L CB 0.234 42.325 42.059 0.054 0.000 1.144 339 L HN 0.676 nan 8.230 nan 0.000 0.496 340 N N 3.056 121.954 118.700 0.331 0.000 2.353 340 N HA -0.138 4.602 4.740 0.000 0.000 0.248 340 N C 1.093 176.702 175.510 0.164 0.000 1.240 340 N CA 0.088 53.259 53.050 0.202 0.000 0.862 340 N CB 0.484 39.131 38.487 0.266 0.000 1.086 340 N HN 0.732 nan 8.380 nan 0.000 0.453 341 H N 1.995 121.015 119.070 -0.083 0.000 2.563 341 H HA 0.000 4.556 4.556 0.000 0.000 0.272 341 H C 0.211 175.353 175.328 -0.311 0.000 1.005 341 H CA 0.216 56.150 56.048 -0.189 0.000 1.171 341 H CB 0.031 29.649 29.762 -0.240 0.000 1.351 341 H HN 0.564 nan 8.280 nan 0.000 0.602 342 H N 0.234 119.345 119.070 0.068 0.000 2.563 342 H HA 0.075 4.631 4.556 0.000 0.000 0.264 342 H C -0.182 174.948 175.328 -0.331 0.000 0.957 342 H CA -0.190 55.719 56.048 -0.230 0.000 1.173 342 H CB -0.011 29.483 29.762 -0.447 0.000 1.420 342 H HN 0.243 nan 8.280 nan 0.000 0.551 343 F N 1.903 121.861 119.950 0.013 0.000 2.427 343 F HA 0.264 4.791 4.527 0.000 0.000 0.352 343 F C 0.790 176.577 175.800 -0.022 0.000 1.100 343 F CA 0.037 58.005 58.000 -0.055 0.000 1.191 343 F CB 0.892 39.855 39.000 -0.061 0.000 1.128 343 F HN -0.077 nan 8.300 nan 0.000 0.533 344 Q N 0.598 120.512 119.800 0.189 0.000 2.528 344 Q HA 0.603 4.943 4.340 0.000 0.000 0.289 344 Q C -0.692 175.452 176.000 0.239 0.000 1.091 344 Q CA -1.088 54.842 55.803 0.210 0.000 0.797 344 Q CB 2.800 31.687 28.738 0.248 0.000 1.466 344 Q HN 0.713 nan 8.270 nan 0.000 0.436 345 T N -2.384 112.348 114.554 0.297 0.000 2.930 345 T HA 0.609 4.959 4.350 0.000 0.000 0.290 345 T C -0.386 174.356 174.700 0.070 0.000 1.052 345 T CA -0.844 61.349 62.100 0.154 0.000 1.017 345 T CB 0.630 69.534 68.868 0.061 0.000 1.137 345 T HN 0.392 nan 8.240 nan 0.000 0.511 346 L N 2.704 123.804 121.223 -0.206 0.000 2.325 346 L HA 0.413 4.753 4.340 0.000 0.000 0.284 346 L C 1.370 178.098 176.870 -0.238 0.000 1.089 346 L CA -0.293 54.282 54.840 -0.441 0.000 0.836 346 L CB 0.074 41.855 42.059 -0.464 0.000 1.184 346 L HN 0.899 nan 8.230 nan 0.000 0.444 347 R N 1.334 121.729 120.500 -0.175 0.000 2.902 347 R HA -0.246 4.094 4.340 0.000 0.000 0.237 347 R C 0.080 176.288 176.300 -0.153 0.000 0.777 347 R CA 2.083 58.115 56.100 -0.113 0.000 1.747 347 R CB -1.189 29.001 30.300 -0.184 0.000 1.248 347 R HN 0.712 nan 8.270 nan 0.000 0.577 348 I N -1.373 119.018 120.570 -0.298 0.000 2.892 348 I HA 0.632 4.802 4.170 0.000 0.000 0.306 348 I C -2.654 173.012 176.117 -0.753 0.000 1.078 348 I CA -2.876 58.068 61.300 -0.593 0.000 1.032 348 I CB 2.353 40.153 38.000 -0.335 0.000 1.229 348 I HN -0.242 nan 8.210 nan 0.000 0.435 349 P HA 0.225 nan 4.420 nan 0.000 0.271 349 P C -1.007 176.156 177.300 -0.228 0.000 1.216 349 P CA 0.039 62.858 63.100 -0.468 0.000 0.771 349 P CB 0.886 32.380 31.700 -0.343 0.000 0.864 350 L N 2.875 124.032 121.223 -0.110 0.000 2.257 350 L HA 0.437 4.777 4.340 0.000 0.000 0.290 350 L C 1.411 178.247 176.870 -0.058 0.000 1.044 350 L CA -0.435 54.355 54.840 -0.083 0.000 0.810 350 L CB 0.975 42.994 42.059 -0.067 0.000 1.193 350 L HN 0.440 nan 8.230 nan 0.000 0.425 351 G N 1.417 110.180 108.800 -0.062 0.000 2.588 351 G HA2 0.115 4.075 3.960 0.000 0.000 0.281 351 G HA3 0.115 4.075 3.960 0.000 0.000 0.281 351 G C 0.667 175.544 174.900 -0.037 0.000 1.236 351 G CA -0.379 44.692 45.100 -0.049 0.000 0.969 351 G HN 0.659 nan 8.290 nan 0.000 0.504 352 E N 0.351 120.530 120.200 -0.035 0.000 2.273 352 E HA -0.156 4.194 4.350 0.000 0.000 0.198 352 E C 1.913 178.489 176.600 -0.040 0.000 1.002 352 E CA 1.340 57.726 56.400 -0.023 0.000 0.828 352 E CB 0.024 29.707 29.700 -0.028 0.000 0.747 352 E HN 0.717 nan 8.360 nan 0.000 0.491 353 D N -0.478 119.861 120.400 -0.102 0.000 2.347 353 D HA -0.064 4.576 4.640 0.000 0.000 0.215 353 D C 1.756 177.936 176.300 -0.201 0.000 0.976 353 D CA 0.375 54.235 54.000 -0.234 0.000 0.884 353 D CB 0.033 40.715 40.800 -0.198 0.000 0.915 353 D HN 0.278 nan 8.370 nan 0.000 0.526 354 I N -0.024 120.546 120.570 -0.001 0.000 3.739 354 I HA 0.217 4.387 4.170 0.000 0.000 0.272 354 I C 0.732 176.954 176.117 0.176 0.000 1.167 354 I CA 0.049 61.415 61.300 0.109 0.000 1.386 354 I CB 0.460 38.465 38.000 0.009 0.000 1.490 354 I HN -0.059 nan 8.210 nan 0.000 0.452 355 A N 0.482 123.339 122.820 0.061 0.000 2.330 355 A HA 0.722 5.042 4.320 0.000 0.000 0.313 355 A C -0.500 177.080 177.584 -0.008 0.000 1.124 355 A CA -0.238 51.795 52.037 -0.007 0.000 0.774 355 A CB 1.184 20.134 19.000 -0.083 0.000 1.198 355 A HN 0.084 nan 8.150 nan 0.000 0.465 356 T N 2.352 116.890 114.554 -0.026 0.000 3.032 356 T HA 0.469 4.819 4.350 0.000 0.000 0.312 356 T C 0.047 174.709 174.700 -0.063 0.000 1.078 356 T CA -0.421 61.667 62.100 -0.020 0.000 1.028 356 T CB 0.533 69.431 68.868 0.050 0.000 1.091 356 T HN 0.446 nan 8.240 nan 0.000 0.457 357 L N 3.757 124.952 121.223 -0.047 0.000 2.592 357 L HA 0.356 4.696 4.340 0.000 0.000 0.227 357 L C 2.186 179.068 176.870 0.021 0.000 1.127 357 L CA 0.215 55.042 54.840 -0.022 0.000 0.884 357 L CB 0.013 42.069 42.059 -0.004 0.000 1.065 357 L HN 0.566 nan 8.230 nan 0.000 0.457 358 K N 0.039 120.446 120.400 0.012 0.000 2.202 358 K HA 0.148 4.468 4.320 0.000 0.000 0.201 358 K C 2.268 178.875 176.600 0.012 0.000 1.051 358 K CA 0.778 57.076 56.287 0.018 0.000 0.977 358 K CB 0.064 32.572 32.500 0.012 0.000 0.792 358 K HN 0.184 nan 8.250 nan 0.000 0.469 359 A N 1.590 124.408 122.820 -0.004 0.000 1.940 359 A HA -0.135 4.185 4.320 0.000 0.000 0.219 359 A C 1.242 178.800 177.584 -0.044 0.000 1.176 359 A CA 1.203 53.220 52.037 -0.034 0.000 0.631 359 A CB -0.125 18.831 19.000 -0.074 0.000 0.814 359 A HN 0.182 nan 8.150 nan 0.000 0.446 360 R N -0.286 120.202 120.500 -0.019 0.000 2.625 360 R HA 0.330 4.670 4.340 0.000 0.000 0.286 360 R C -3.229 173.164 176.300 0.155 0.000 1.406 360 R CA -2.019 54.089 56.100 0.012 0.000 1.052 360 R CB 1.259 31.488 30.300 -0.120 0.000 1.203 360 R HN 0.028 nan 8.270 nan 0.000 0.502 361 P HA 0.024 nan 4.420 nan 0.000 0.264 361 P C 0.479 177.948 177.300 0.281 0.000 1.183 361 P CA 1.323 64.527 63.100 0.174 0.000 0.763 361 P CB 0.795 32.569 31.700 0.123 0.000 0.807 362 G N 0.903 109.827 108.800 0.207 0.000 2.159 362 G HA2 -0.208 3.752 3.960 0.000 0.000 0.256 362 G HA3 -0.208 3.752 3.960 0.000 0.000 0.256 362 G C -0.177 174.721 174.900 -0.004 0.000 0.977 362 G CA -0.029 45.143 45.100 0.120 0.000 0.652 362 G HN 0.705 nan 8.290 nan 0.000 0.531 363 H N -1.677 117.515 119.070 0.204 0.000 2.851 363 H HA 0.639 5.195 4.556 0.000 0.000 0.372 363 H C -0.540 174.769 175.328 -0.031 0.000 1.158 363 H CA -0.840 55.321 56.048 0.188 0.000 1.159 363 H CB 1.778 31.626 29.762 0.143 0.000 1.757 363 H HN 0.268 nan 8.280 nan 0.000 0.546 364 L N 2.356 123.482 121.223 -0.162 0.000 2.257 364 L HA 0.400 4.740 4.340 0.000 0.000 0.290 364 L C -0.105 176.721 176.870 -0.072 0.000 1.044 364 L CA -0.201 54.377 54.840 -0.437 0.000 0.810 364 L CB 0.353 41.692 42.059 -1.200 0.000 1.193 364 L HN 0.594 nan 8.230 nan 0.000 0.425 365 R N 4.702 125.140 120.500 -0.103 0.000 2.294 365 R HA 0.581 4.921 4.340 0.000 0.000 0.319 365 R C -1.600 174.607 176.300 -0.155 0.000 0.984 365 R CA -0.735 55.282 56.100 -0.139 0.000 0.861 365 R CB 0.831 30.932 30.300 -0.332 0.000 1.104 365 R HN 0.571 nan 8.270 nan 0.000 0.451 366 L N 5.929 127.109 121.223 -0.071 0.000 2.316 366 L HA 0.350 4.690 4.340 0.000 0.000 0.280 366 L C -1.133 175.705 176.870 -0.055 0.000 1.006 366 L CA -0.664 54.157 54.840 -0.032 0.000 0.836 366 L CB 0.965 43.056 42.059 0.052 0.000 1.221 366 L HN 0.581 nan 8.230 nan 0.000 0.418 367 Y N 1.516 121.851 120.300 0.058 0.000 2.377 367 Y HA 0.425 4.976 4.550 0.000 0.000 0.330 367 Y C 1.399 177.318 175.900 0.032 0.000 1.108 367 Y CA -0.113 58.047 58.100 0.100 0.000 1.308 367 Y CB 0.794 39.290 38.460 0.061 0.000 1.216 367 Y HN 0.699 nan 8.280 nan 0.000 0.518 368 G N 4.627 113.534 108.800 0.179 0.000 2.343 368 G HA2 0.273 4.233 3.960 0.000 0.000 0.254 368 G HA3 0.273 4.233 3.960 0.000 0.000 0.254 368 G C 0.298 175.227 174.900 0.047 0.000 1.277 368 G CA -0.518 44.622 45.100 0.066 0.000 0.909 368 G HN 0.515 nan 8.290 nan 0.000 0.502 369 R N 1.694 122.185 120.500 -0.016 0.000 2.769 369 R HA 0.334 4.674 4.340 0.000 0.000 0.117 369 R C 0.469 176.773 176.300 0.007 0.000 1.152 369 R CA -0.577 55.519 56.100 -0.005 0.000 0.887 369 R CB -0.302 29.987 30.300 -0.019 0.000 1.099 369 R HN 0.653 nan 8.270 nan 0.000 0.398 370 E N 0.993 121.204 120.200 0.018 0.000 2.351 370 E HA 0.143 4.493 4.350 0.000 0.000 0.255 370 E C 0.016 176.668 176.600 0.086 0.000 1.188 370 E CA -0.309 56.121 56.400 0.051 0.000 0.940 370 E CB 0.585 30.324 29.700 0.065 0.000 1.094 370 E HN 0.455 nan 8.360 nan 0.000 0.474 371 S N -0.088 115.661 115.700 0.081 0.000 2.634 371 S HA 0.081 4.551 4.470 0.000 0.000 0.261 371 S C 1.011 175.585 174.600 -0.043 0.000 1.271 371 S CA -0.497 57.731 58.200 0.046 0.000 0.985 371 S CB 0.334 63.572 63.200 0.062 0.000 0.968 371 S HN 0.507 nan 8.310 nan 0.000 0.568 372 L N 0.786 121.819 121.223 -0.317 0.000 2.549 372 L HA -0.009 4.331 4.340 0.000 0.000 0.229 372 L C 2.417 179.229 176.870 -0.098 0.000 1.158 372 L CA 1.252 55.740 54.840 -0.587 0.000 0.842 372 L CB -0.794 40.324 42.059 -1.568 0.000 0.952 372 L HN 1.024 nan 8.230 nan 0.000 0.452 373 T N -5.566 109.054 114.554 0.110 0.000 3.086 373 T HA 0.066 4.416 4.350 0.000 0.000 0.250 373 T C 0.792 175.587 174.700 0.157 0.000 1.074 373 T CA -0.208 62.027 62.100 0.226 0.000 0.988 373 T CB 0.192 69.217 68.868 0.261 0.000 0.988 373 T HN 0.068 nan 8.240 nan 0.000 0.530 374 S N 0.787 116.561 115.700 0.123 0.000 2.513 374 S HA 0.397 4.867 4.470 0.000 0.000 0.276 374 S C 0.785 175.434 174.600 0.082 0.000 1.254 374 S CA -0.842 57.453 58.200 0.159 0.000 1.053 374 S CB 0.640 63.943 63.200 0.172 0.000 0.958 374 S HN 0.454 nan 8.310 nan 0.000 0.491 375 R N 3.057 123.571 120.500 0.023 0.000 2.391 375 R HA 0.225 4.566 4.340 0.000 0.000 0.249 375 R C -0.167 175.767 176.300 -0.609 0.000 0.957 375 R CA 0.282 56.196 56.100 -0.311 0.000 1.093 375 R CB 0.124 30.167 30.300 -0.428 0.000 1.156 375 R HN 0.600 nan 8.270 nan 0.000 0.526 376 F N -1.223 118.708 119.950 -0.032 0.000 2.223 376 F HA 0.231 4.759 4.527 0.000 0.000 0.229 376 F C 0.793 176.557 175.800 -0.060 0.000 1.066 376 F CA -0.074 57.900 58.000 -0.043 0.000 1.199 376 F CB 0.234 39.216 39.000 -0.030 0.000 1.539 376 F HN -0.362 nan 8.300 nan 0.000 0.554 377 T N 2.190 116.836 114.554 0.153 0.000 2.912 377 T HA 0.369 4.719 4.350 0.000 0.000 0.326 377 T C -0.808 173.902 174.700 0.017 0.000 1.080 377 T CA -0.555 61.571 62.100 0.042 0.000 1.000 377 T CB 0.841 69.726 68.868 0.028 0.000 1.008 377 T HN 0.075 nan 8.240 nan 0.000 0.473 378 Q N 1.684 121.476 119.800 -0.014 0.000 2.316 378 Q HA 0.610 4.950 4.340 0.000 0.000 0.264 378 Q C -0.396 175.559 176.000 -0.076 0.000 0.987 378 Q CA -0.891 54.896 55.803 -0.027 0.000 0.852 378 Q CB 2.238 30.994 28.738 0.030 0.000 1.287 378 Q HN 0.750 nan 8.270 nan 0.000 0.448 379 A N 3.626 126.334 122.820 -0.186 0.000 2.915 379 A HA 0.329 4.649 4.320 0.000 0.000 0.292 379 A C -1.073 176.384 177.584 -0.212 0.000 1.632 379 A CA 0.177 52.105 52.037 -0.182 0.000 1.337 379 A CB -0.604 18.294 19.000 -0.170 0.000 1.111 379 A HN 0.509 nan 8.150 nan 0.000 0.569 380 F N 2.479 122.267 119.950 -0.271 0.000 2.607 380 F HA 0.528 5.055 4.527 0.000 0.000 0.322 380 F C -1.363 174.357 175.800 -0.134 0.000 1.176 380 F CA -1.270 56.610 58.000 -0.201 0.000 0.977 380 F CB 1.814 40.756 39.000 -0.097 0.000 1.242 380 F HN 0.101 nan 8.300 nan 0.000 0.465 381 V N 5.493 125.185 119.914 -0.370 0.000 2.444 381 V HA 0.941 5.061 4.120 0.000 0.000 0.294 381 V C -0.473 175.318 176.094 -0.505 0.000 1.022 381 V CA -0.346 61.687 62.300 -0.444 0.000 0.850 381 V CB 1.064 32.592 31.823 -0.492 0.000 0.992 381 V HN 1.076 nan 8.190 nan 0.000 0.426 382 A N 5.371 127.992 122.820 -0.333 0.000 2.572 382 A HA 1.005 5.325 4.320 0.000 0.000 0.295 382 A C -0.774 176.807 177.584 -0.005 0.000 1.072 382 A CA -0.954 50.946 52.037 -0.230 0.000 0.691 382 A CB 2.121 20.800 19.000 -0.535 0.000 1.291 382 A HN 0.984 nan 8.150 nan 0.000 0.404 383 R N 0.427 120.869 120.500 -0.098 0.000 2.854 383 R HA 0.780 5.120 4.340 0.000 0.000 0.271 383 R C -0.746 175.161 176.300 -0.656 0.000 0.994 383 R CA -0.923 54.944 56.100 -0.390 0.000 0.945 383 R CB 1.136 31.031 30.300 -0.675 0.000 1.194 383 R HN 0.604 nan 8.270 nan 0.000 0.476 384 R N 0.871 120.739 120.500 -1.052 0.000 2.570 384 R HA 0.021 4.361 4.340 0.000 0.000 0.277 384 R C -0.597 175.323 176.300 -0.633 0.000 1.039 384 R CA -0.009 55.406 56.100 -1.142 0.000 1.065 384 R CB 0.308 30.058 30.300 -0.918 0.000 0.964 384 R HN 0.471 nan 8.270 nan 0.000 0.428 385 W N 2.775 123.702 121.300 -0.622 0.000 2.397 385 W HA 0.009 4.669 4.660 0.000 0.000 0.327 385 W C 0.809 177.062 176.519 -0.443 0.000 1.421 385 W CA 0.159 57.234 57.345 -0.449 0.000 1.288 385 W CB 0.148 29.563 29.460 -0.075 0.000 1.312 385 W HN 0.593 nan 8.180 nan 0.000 0.559 386 Q N 1.740 121.378 119.800 -0.270 0.000 2.164 386 Q HA 0.093 4.433 4.340 0.000 0.000 0.226 386 Q C -0.554 175.035 176.000 -0.685 0.000 0.813 386 Q CA 0.196 55.737 55.803 -0.436 0.000 0.978 386 Q CB 0.774 29.193 28.738 -0.531 0.000 1.149 386 Q HN 0.529 nan 8.270 nan 0.000 0.489 387 H N -2.282 116.787 119.070 -0.003 0.000 2.961 387 H HA 0.212 4.769 4.556 0.000 0.000 0.371 387 H C -0.352 175.070 175.328 0.157 0.000 1.190 387 H CA -0.727 55.349 56.048 0.047 0.000 1.138 387 H CB 0.943 30.771 29.762 0.110 0.000 1.816 387 H HN -0.136 nan 8.280 nan 0.000 0.551 388 F N -0.423 119.760 119.950 0.389 0.000 2.325 388 F HA -0.046 4.482 4.527 0.000 0.000 0.299 388 F C 0.899 176.856 175.800 0.262 0.000 1.090 388 F CA 1.019 59.211 58.000 0.319 0.000 1.392 388 F CB 0.117 39.259 39.000 0.237 0.000 1.053 388 F HN 0.474 nan 8.300 nan 0.000 0.521 389 H N 0.020 119.267 119.070 0.295 0.000 2.800 389 H HA 0.422 4.978 4.556 0.000 0.000 0.322 389 H C -0.924 174.430 175.328 0.044 0.000 0.979 389 H CA -1.902 54.189 56.048 0.072 0.000 1.277 389 H CB 0.332 30.130 29.762 0.060 0.000 1.484 389 H HN -0.043 nan 8.280 nan 0.000 0.512 390 F N 2.821 122.638 119.950 -0.223 0.000 2.713 390 F HA 0.595 5.122 4.527 0.000 0.000 0.311 390 F C -2.235 173.318 175.800 -0.412 0.000 1.141 390 F CA -1.137 56.591 58.000 -0.454 0.000 0.939 390 F CB 0.618 39.289 39.000 -0.548 0.000 1.325 390 F HN 0.264 nan 8.300 nan 0.000 0.453 391 V N 1.644 121.435 119.914 -0.206 0.000 2.680 391 V HA 0.947 5.068 4.120 0.000 0.000 0.309 391 V C -1.058 175.033 176.094 -0.006 0.000 1.052 391 V CA -0.183 62.000 62.300 -0.195 0.000 0.908 391 V CB 1.378 33.055 31.823 -0.244 0.000 1.001 391 V HN 1.524 nan 8.190 nan 0.000 0.431 392 A N 5.023 127.864 122.820 0.034 0.000 2.414 392 A HA 0.914 5.234 4.320 0.000 0.000 0.306 392 A C -0.844 176.716 177.584 -0.039 0.000 1.054 392 A CA -0.566 51.498 52.037 0.045 0.000 0.724 392 A CB 1.827 21.011 19.000 0.308 0.000 1.267 392 A HN 0.895 nan 8.150 nan 0.000 0.418 393 E N 0.193 120.284 120.200 -0.180 0.000 2.372 393 E HA 0.637 4.987 4.350 0.000 0.000 0.279 393 E C -1.430 175.133 176.600 -0.062 0.000 0.946 393 E CA -0.326 56.077 56.400 0.005 0.000 0.769 393 E CB 2.353 32.124 29.700 0.118 0.000 1.230 393 E HN 0.679 nan 8.360 nan 0.000 0.442 394 T N 1.707 116.322 114.554 0.101 0.000 2.864 394 T HA 0.461 4.811 4.350 0.000 0.000 0.299 394 T C -1.851 172.786 174.700 -0.106 0.000 1.166 394 T CA -0.715 61.379 62.100 -0.010 0.000 1.007 394 T CB 1.423 70.554 68.868 0.438 0.000 1.219 394 T HN 0.373 nan 8.240 nan 0.000 0.506 395 K N 2.592 122.758 120.400 -0.391 0.000 2.463 395 K HA 0.743 5.063 4.320 0.000 0.000 0.255 395 K C -1.899 174.654 176.600 -0.077 0.000 0.942 395 K CA -0.671 55.390 56.287 -0.376 0.000 0.814 395 K CB 1.765 33.851 32.500 -0.690 0.000 1.122 395 K HN 0.397 nan 8.250 nan 0.000 0.425 396 V N 3.386 123.293 119.914 -0.013 0.000 2.760 396 V HA 0.536 4.656 4.120 0.000 0.000 0.309 396 V C -1.263 174.819 176.094 -0.020 0.000 1.077 396 V CA -0.382 61.843 62.300 -0.126 0.000 0.910 396 V CB 2.173 33.654 31.823 -0.570 0.000 1.008 396 V HN 0.922 nan 8.190 nan 0.000 0.424 397 S N 6.414 122.057 115.700 -0.095 0.000 2.437 397 S HA 0.838 5.308 4.470 0.000 0.000 0.305 397 S C -1.055 173.510 174.600 -0.058 0.000 1.109 397 S CA -0.484 57.594 58.200 -0.204 0.000 1.099 397 S CB 1.268 64.169 63.200 -0.498 0.000 1.004 397 S HN 1.116 nan 8.310 nan 0.000 0.475 398 F N 2.436 122.256 119.950 -0.218 0.000 2.622 398 F HA 0.521 5.049 4.527 0.000 0.000 0.318 398 F C -1.090 174.621 175.800 -0.148 0.000 1.135 398 F CA -0.799 57.087 58.000 -0.191 0.000 1.015 398 F CB 1.672 40.578 39.000 -0.156 0.000 1.275 398 F HN 0.653 nan 8.300 nan 0.000 0.457 399 R N 6.128 126.175 120.500 -0.756 0.000 2.494 399 R HA 0.321 4.662 4.340 0.000 0.000 0.284 399 R C -2.901 172.919 176.300 -0.801 0.000 1.525 399 R CA -1.593 54.144 56.100 -0.606 0.000 1.460 399 R CB 1.134 31.210 30.300 -0.373 0.000 1.134 399 R HN 0.347 nan 8.270 nan 0.000 0.592 400 P HA 0.105 nan 4.420 nan 0.000 0.275 400 P C 0.570 177.639 177.300 -0.386 0.000 1.228 400 P CA -0.019 62.706 63.100 -0.626 0.000 0.786 400 P CB 1.143 32.667 31.700 -0.294 0.000 0.927 401 T N -2.251 111.986 114.554 -0.528 0.000 3.044 401 T HA 0.200 4.550 4.350 0.000 0.000 0.260 401 T C 0.479 174.356 174.700 -1.370 0.000 1.019 401 T CA 0.008 61.586 62.100 -0.870 0.000 0.921 401 T CB -0.137 68.381 68.868 -0.582 0.000 1.053 401 T HN 0.554 nan 8.240 nan 0.000 0.533 402 T N 0.403 114.476 114.554 -0.801 0.000 2.889 402 T HA 0.465 4.815 4.350 0.000 0.000 0.315 402 T C 0.049 174.722 174.700 -0.045 0.000 1.291 402 T CA -0.837 60.885 62.100 -0.631 0.000 1.028 402 T CB 0.782 69.254 68.868 -0.659 0.000 1.235 402 T HN 0.102 nan 8.240 nan 0.000 0.491 403 F N 1.474 121.635 119.950 0.351 0.000 2.408 403 F HA 0.082 4.609 4.527 0.000 0.000 0.300 403 F C 2.048 177.961 175.800 0.187 0.000 1.090 403 F CA 0.633 58.814 58.000 0.301 0.000 1.427 403 F CB -0.851 38.310 39.000 0.268 0.000 1.070 403 F HN 0.562 nan 8.300 nan 0.000 0.549 404 Q N 0.504 120.251 119.800 -0.088 0.000 2.436 404 Q HA -0.012 4.328 4.340 0.000 0.000 0.209 404 Q C 0.146 176.193 176.000 0.078 0.000 0.965 404 Q CA 0.647 56.458 55.803 0.012 0.000 0.910 404 Q CB -0.139 28.520 28.738 -0.131 0.000 0.980 404 Q HN 0.613 nan 8.270 nan 0.000 0.491 405 Q N 0.326 120.194 119.800 0.114 0.000 2.274 405 Q HA 0.409 4.749 4.340 0.000 0.000 0.260 405 Q C -0.767 175.453 176.000 0.366 0.000 0.974 405 Q CA -0.490 55.452 55.803 0.232 0.000 0.876 405 Q CB 2.140 31.009 28.738 0.219 0.000 1.297 405 Q HN 0.055 nan 8.270 nan 0.000 0.446 406 S N 0.042 115.931 115.700 0.315 0.000 2.570 406 S HA 0.923 5.393 4.470 0.000 0.000 0.270 406 S C -1.575 172.830 174.600 -0.325 0.000 1.149 406 S CA -0.758 57.553 58.200 0.186 0.000 0.837 406 S CB 1.953 65.236 63.200 0.138 0.000 1.124 406 S HN 0.739 nan 8.310 nan 0.000 0.465 407 A N 0.231 122.781 122.820 -0.450 0.000 2.547 407 A HA 1.020 5.340 4.320 0.000 0.000 0.297 407 A C -0.027 177.525 177.584 -0.053 0.000 1.056 407 A CA -0.236 51.533 52.037 -0.447 0.000 0.688 407 A CB 1.066 19.402 19.000 -1.106 0.000 1.282 407 A HN 2.276 nan 8.150 nan 0.000 0.400 408 G N -0.564 108.334 108.800 0.163 0.000 2.430 408 G HA2 0.594 4.555 3.960 0.000 0.000 0.300 408 G HA3 0.594 4.555 3.960 0.000 0.000 0.300 408 G C -2.100 172.999 174.900 0.332 0.000 1.330 408 G CA -0.524 44.714 45.100 0.230 0.000 0.813 408 G HN 1.507 nan 8.290 nan 0.000 0.487 409 L N 0.686 122.104 121.223 0.326 0.000 2.276 409 L HA 0.759 5.099 4.340 0.000 0.000 0.286 409 L C -0.381 176.706 176.870 0.362 0.000 1.061 409 L CA -0.485 54.602 54.840 0.413 0.000 0.807 409 L CB 1.429 43.778 42.059 0.483 0.000 1.177 409 L HN 0.366 nan 8.230 nan 0.000 0.429 410 V N 5.033 125.199 119.914 0.420 0.000 2.604 410 V HA 0.524 4.645 4.120 0.000 0.000 0.305 410 V C -0.434 175.997 176.094 0.562 0.000 1.043 410 V CA -0.886 61.639 62.300 0.375 0.000 0.888 410 V CB 1.897 33.774 31.823 0.091 0.000 0.995 410 V HN 0.749 nan 8.190 nan 0.000 0.429 411 N N 2.954 121.998 118.700 0.573 0.000 2.392 411 N HA 0.480 5.220 4.740 0.000 0.000 0.283 411 N C -1.632 174.208 175.510 0.550 0.000 1.003 411 N CA -0.307 53.091 53.050 0.580 0.000 0.892 411 N CB 2.450 41.223 38.487 0.477 0.000 1.193 411 N HN 0.769 nan 8.380 nan 0.000 0.487 412 Y N 1.967 122.491 120.300 0.373 0.000 2.421 412 Y HA 0.178 4.728 4.550 0.000 0.000 0.339 412 Y C -0.601 175.485 175.900 0.310 0.000 0.996 412 Y CA -0.649 57.688 58.100 0.396 0.000 1.046 412 Y CB 1.184 39.958 38.460 0.523 0.000 1.226 412 Y HN 0.540 nan 8.280 nan 0.000 0.445 413 Y N 4.203 124.391 120.300 -0.186 0.000 2.333 413 Y HA 0.228 4.778 4.550 0.000 0.000 0.287 413 Y C 0.062 175.724 175.900 -0.396 0.000 1.149 413 Y CA 1.177 59.160 58.100 -0.195 0.000 1.193 413 Y CB 0.435 38.783 38.460 -0.186 0.000 1.175 413 Y HN 0.758 nan 8.280 nan 0.000 0.518 414 N N -2.573 115.827 118.700 -0.500 0.000 3.204 414 N HA 0.090 4.830 4.740 0.000 0.000 0.285 414 N C 0.311 175.575 175.510 -0.409 0.000 1.536 414 N CA 0.172 52.937 53.050 -0.475 0.000 0.832 414 N CB 0.387 38.816 38.487 -0.097 0.000 1.645 414 N HN 0.021 nan 8.380 nan 0.000 0.586 415 T N -3.009 111.540 114.554 -0.008 0.000 2.946 415 T HA -0.134 4.216 4.350 0.000 0.000 0.271 415 T C 0.738 175.611 174.700 0.287 0.000 1.104 415 T CA 1.415 63.645 62.100 0.218 0.000 1.114 415 T CB -0.384 68.573 68.868 0.148 0.000 0.867 415 T HN 0.614 nan 8.240 nan 0.000 0.513 416 Q N 0.249 120.087 119.800 0.064 0.000 2.189 416 Q HA 0.281 4.621 4.340 0.000 0.000 0.223 416 Q C -0.413 175.414 176.000 -0.288 0.000 0.828 416 Q CA -0.204 55.557 55.803 -0.069 0.000 0.967 416 Q CB 0.739 29.421 28.738 -0.094 0.000 1.139 416 Q HN 0.451 nan 8.270 nan 0.000 0.497 417 N N 1.299 119.845 118.700 -0.257 0.000 2.607 417 N HA 0.205 4.945 4.740 0.000 0.000 0.271 417 N C -1.581 173.845 175.510 -0.140 0.000 1.142 417 N CA -0.144 52.734 53.050 -0.288 0.000 0.810 417 N CB 1.363 39.722 38.487 -0.214 0.000 1.306 417 N HN 0.190 nan 8.380 nan 0.000 0.536 418 W N 0.254 121.515 121.300 -0.065 0.000 3.059 418 W HA 0.465 5.125 4.660 0.000 0.000 0.329 418 W C -1.163 175.398 176.519 0.070 0.000 1.246 418 W CA -0.881 56.474 57.345 0.016 0.000 1.190 418 W CB 0.614 30.116 29.460 0.070 0.000 1.423 418 W HN 0.154 nan 8.180 nan 0.000 0.571 419 T N -0.627 114.242 114.554 0.526 0.000 2.906 419 T HA 0.693 5.043 4.350 0.000 0.000 0.295 419 T C -1.212 173.746 174.700 0.431 0.000 1.061 419 T CA -0.511 61.826 62.100 0.395 0.000 1.000 419 T CB 2.549 71.478 68.868 0.101 0.000 1.103 419 T HN 0.720 nan 8.240 nan 0.000 0.486 420 T N 1.370 116.051 114.554 0.212 0.000 2.923 420 T HA 0.566 4.916 4.350 0.000 0.000 0.311 420 T C -2.027 172.476 174.700 -0.328 0.000 1.183 420 T CA -0.714 61.378 62.100 -0.013 0.000 1.020 420 T CB 1.541 70.423 68.868 0.023 0.000 1.165 420 T HN 0.818 nan 8.240 nan 0.000 0.482 421 L N 5.497 126.444 121.223 -0.461 0.000 2.276 421 L HA 0.640 4.980 4.340 0.000 0.000 0.286 421 L C -0.372 176.487 176.870 -0.017 0.000 1.024 421 L CA 0.019 54.681 54.840 -0.296 0.000 0.826 421 L CB 0.741 42.603 42.059 -0.328 0.000 1.211 421 L HN 0.776 nan 8.230 nan 0.000 0.422 422 Q N 4.324 124.141 119.800 0.028 0.000 2.423 422 Q HA 0.647 4.987 4.340 0.000 0.000 0.278 422 Q C -1.281 174.793 176.000 0.124 0.000 1.097 422 Q CA -0.964 54.888 55.803 0.083 0.000 0.809 422 Q CB 2.191 30.967 28.738 0.064 0.000 1.391 422 Q HN 0.619 nan 8.270 nan 0.000 0.428 423 I N 1.849 122.521 120.570 0.170 0.000 2.342 423 I HA 0.394 4.564 4.170 0.000 0.000 0.291 423 I C 0.175 176.508 176.117 0.360 0.000 1.010 423 I CA -0.096 61.359 61.300 0.258 0.000 1.308 423 I CB 1.543 39.754 38.000 0.351 0.000 1.400 423 I HN 0.793 nan 8.210 nan 0.000 0.488 424 T N 4.393 119.129 114.554 0.303 0.000 2.618 424 T HA 0.490 4.840 4.350 0.000 0.000 0.286 424 T C -2.185 172.716 174.700 0.334 0.000 1.027 424 T CA -0.543 61.767 62.100 0.350 0.000 1.063 424 T CB 1.229 70.282 68.868 0.309 0.000 1.440 424 T HN 0.552 nan 8.240 nan 0.000 0.505 425 W N 1.500 122.893 121.300 0.155 0.000 2.819 425 W HA 0.675 5.335 4.660 0.000 0.000 0.337 425 W C -1.329 175.329 176.519 0.231 0.000 1.077 425 W CA -0.526 56.894 57.345 0.125 0.000 1.226 425 W CB 1.118 30.596 29.460 0.031 0.000 1.419 425 W HN 0.714 nan 8.180 nan 0.000 0.502 426 H N 3.664 122.297 119.070 -0.729 0.000 2.717 426 H HA 0.193 4.749 4.556 0.000 0.000 0.366 426 H C 0.435 174.978 175.328 -1.307 0.000 1.132 426 H CA -0.288 55.347 56.048 -0.688 0.000 1.180 426 H CB 2.241 31.803 29.762 -0.333 0.000 1.678 426 H HN 0.617 nan 8.280 nan 0.000 0.537 427 E N 2.526 121.921 120.200 -1.343 0.000 2.086 427 E HA -0.227 4.123 4.350 0.000 0.000 0.200 427 E C 1.051 177.372 176.600 -0.466 0.000 1.012 427 E CA 2.140 58.043 56.400 -0.828 0.000 0.812 427 E CB 0.330 29.787 29.700 -0.405 0.000 0.743 427 E HN 0.625 nan 8.360 nan 0.000 0.453 428 E N -0.426 119.610 120.200 -0.274 0.000 2.201 428 E HA 0.077 4.427 4.350 0.000 0.000 0.193 428 E C 1.410 177.994 176.600 -0.028 0.000 0.957 428 E CA 0.641 57.012 56.400 -0.049 0.000 0.858 428 E CB 0.245 29.976 29.700 0.052 0.000 0.816 428 E HN 0.071 nan 8.360 nan 0.000 0.475 429 K N -0.153 120.279 120.400 0.053 0.000 2.361 429 K HA 0.232 4.552 4.320 0.000 0.000 0.196 429 K C 1.017 177.530 176.600 -0.146 0.000 1.039 429 K CA 0.486 56.737 56.287 -0.059 0.000 1.001 429 K CB 0.577 33.007 32.500 -0.116 0.000 0.795 429 K HN 0.190 nan 8.250 nan 0.000 0.495 430 G N 2.521 111.120 108.800 -0.335 0.000 2.509 430 G HA2 -0.353 3.608 3.960 0.000 0.000 0.259 430 G HA3 -0.353 3.608 3.960 0.000 0.000 0.259 430 G C -0.576 174.132 174.900 -0.319 0.000 1.169 430 G CA -0.101 44.747 45.100 -0.420 0.000 0.953 430 G HN 0.353 nan 8.290 nan 0.000 0.563 431 R N 1.247 121.719 120.500 -0.046 0.000 2.370 431 R HA 0.452 4.792 4.340 0.000 0.000 0.309 431 R C 0.467 176.771 176.300 0.008 0.000 1.059 431 R CA 0.536 56.663 56.100 0.044 0.000 0.981 431 R CB -0.628 29.696 30.300 0.041 0.000 0.972 431 R HN 0.826 nan 8.270 nan 0.000 0.437 432 I N 1.219 121.817 120.570 0.047 0.000 2.934 432 I HA 0.454 4.624 4.170 0.000 0.000 0.306 432 I C -1.153 175.003 176.117 0.065 0.000 1.110 432 I CA -1.339 59.978 61.300 0.029 0.000 1.019 432 I CB 2.010 40.003 38.000 -0.012 0.000 1.227 432 I HN 0.375 nan 8.210 nan 0.000 0.434 433 L N 2.822 124.060 121.223 0.025 0.000 2.309 433 L HA 0.589 4.930 4.340 0.000 0.000 0.282 433 L C -0.313 176.560 176.870 0.004 0.000 1.036 433 L CA -0.210 54.639 54.840 0.015 0.000 0.806 433 L CB 1.640 43.651 42.059 -0.081 0.000 1.220 433 L HN 0.837 nan 8.230 nan 0.000 0.429 434 E N 3.563 123.785 120.200 0.037 0.000 2.429 434 E HA 0.626 4.976 4.350 0.000 0.000 0.276 434 E C -1.654 174.978 176.600 0.052 0.000 0.953 434 E CA -0.986 55.441 56.400 0.046 0.000 0.787 434 E CB 2.050 31.789 29.700 0.065 0.000 1.307 434 E HN 0.366 nan 8.360 nan 0.000 0.458 435 L N 1.422 122.696 121.223 0.085 0.000 2.322 435 L HA 0.620 4.960 4.340 0.000 0.000 0.279 435 L C -0.204 176.754 176.870 0.147 0.000 1.036 435 L CA -0.803 54.104 54.840 0.111 0.000 0.807 435 L CB 1.620 43.831 42.059 0.253 0.000 1.226 435 L HN 0.602 nan 8.230 nan 0.000 0.433 436 M N 2.537 122.235 119.600 0.163 0.000 2.324 436 M HA 0.448 4.928 4.480 0.000 0.000 0.288 436 M C -1.101 175.344 176.300 0.242 0.000 1.097 436 M CA -0.295 55.138 55.300 0.222 0.000 0.928 436 M CB 2.419 35.191 32.600 0.287 0.000 1.648 436 M HN 0.707 nan 8.290 nan 0.000 0.460 437 T N 0.520 115.129 114.554 0.092 0.000 2.908 437 T HA 0.687 5.037 4.350 0.000 0.000 0.290 437 T C -1.177 173.215 174.700 -0.512 0.000 1.034 437 T CA -0.743 61.296 62.100 -0.101 0.000 1.010 437 T CB 1.688 70.589 68.868 0.055 0.000 1.068 437 T HN 0.805 nan 8.240 nan 0.000 0.481 438 C N 2.842 121.555 119.300 -0.979 0.000 2.396 438 C HA 0.721 5.181 4.460 0.000 0.000 0.321 438 C C -1.341 173.305 174.990 -0.574 0.000 1.233 438 C CA -0.433 57.983 59.018 -1.002 0.000 1.440 438 C CB 0.345 26.935 27.740 -1.917 0.000 2.110 438 C HN 1.030 nan 8.230 nan 0.000 0.473 439 D N 3.369 123.607 120.400 -0.270 0.000 2.473 439 D HA 0.299 4.939 4.640 0.000 0.000 0.253 439 D C -0.073 176.260 176.300 0.056 0.000 1.233 439 D CA -0.081 53.889 54.000 -0.050 0.000 0.908 439 D CB 0.339 41.179 40.800 0.066 0.000 1.170 439 D HN 0.830 nan 8.370 nan 0.000 0.558 440 H N 2.929 121.927 119.070 -0.119 0.000 2.626 440 H HA -0.225 4.331 4.556 0.000 0.000 0.317 440 H C 1.295 176.572 175.328 -0.084 0.000 1.140 440 H CA 0.766 56.752 56.048 -0.104 0.000 1.134 440 H CB -0.999 28.695 29.762 -0.112 0.000 1.486 440 H HN 0.442 nan 8.280 nan 0.000 0.417 441 L N -3.049 118.140 121.223 -0.057 0.000 5.060 441 L HA -0.231 4.109 4.340 0.000 0.000 0.408 441 L C -0.227 176.621 176.870 -0.037 0.000 0.917 441 L CA 1.415 56.235 54.840 -0.033 0.000 1.627 441 L CB -0.815 41.255 42.059 0.019 0.000 1.732 441 L HN 0.213 nan 8.230 nan 0.000 0.611 442 V N 1.122 121.011 119.914 -0.042 0.000 2.432 442 V HA 0.416 4.536 4.120 0.000 0.000 0.271 442 V C 0.554 176.596 176.094 -0.086 0.000 1.046 442 V CA -0.234 62.045 62.300 -0.036 0.000 0.945 442 V CB 1.401 33.218 31.823 -0.010 0.000 0.992 442 V HN 0.036 nan 8.190 nan 0.000 0.471 443 V N 4.474 124.351 119.914 -0.061 0.000 2.472 443 V HA 0.462 4.582 4.120 0.000 0.000 0.290 443 V C -0.301 175.778 176.094 -0.024 0.000 1.037 443 V CA -0.416 61.838 62.300 -0.076 0.000 0.908 443 V CB 1.958 33.776 31.823 -0.008 0.000 0.985 443 V HN 0.944 nan 8.190 nan 0.000 0.454 444 D N 2.493 122.883 120.400 -0.017 0.000 2.457 444 D HA 0.459 5.099 4.640 0.000 0.000 0.240 444 D C -0.747 175.592 176.300 0.065 0.000 1.041 444 D CA -0.443 53.573 54.000 0.027 0.000 0.861 444 D CB 2.066 42.886 40.800 0.033 0.000 1.394 444 D HN 0.518 nan 8.370 nan 0.000 0.473 445 Q N 3.177 123.016 119.800 0.065 0.000 2.523 445 Q HA 0.281 4.621 4.340 0.000 0.000 0.251 445 Q C -1.813 174.228 176.000 0.068 0.000 1.033 445 Q CA -1.632 54.219 55.803 0.080 0.000 0.746 445 Q CB 2.070 30.849 28.738 0.068 0.000 1.189 445 Q HN 0.283 nan 8.270 nan 0.000 0.508 446 P HA -0.129 nan 4.420 nan 0.000 0.218 446 P C 0.552 177.879 177.300 0.045 0.000 1.149 446 P CA 0.703 63.840 63.100 0.062 0.000 0.817 446 P CB 0.373 32.123 31.700 0.083 0.000 0.785 447 L N -0.938 120.321 121.223 0.059 0.000 2.645 447 L HA 0.165 4.505 4.340 0.000 0.000 0.234 447 L C 0.912 177.788 176.870 0.009 0.000 1.165 447 L CA -0.306 54.556 54.840 0.037 0.000 0.944 447 L CB -1.613 40.475 42.059 0.048 0.000 1.149 447 L HN -0.144 nan 8.230 nan 0.000 0.446 448 R N 0.409 120.916 120.500 0.011 0.000 2.504 448 R HA 0.079 4.419 4.340 0.000 0.000 0.302 448 R C 1.321 177.604 176.300 -0.028 0.000 0.893 448 R CA 1.080 57.176 56.100 -0.006 0.000 1.138 448 R CB -0.161 30.142 30.300 0.004 0.000 0.880 448 R HN 0.492 nan 8.270 nan 0.000 0.415 449 G N 3.333 112.095 108.800 -0.063 0.000 2.203 449 G HA2 -0.342 3.618 3.960 0.000 0.000 0.263 449 G HA3 -0.342 3.618 3.960 0.000 0.000 0.263 449 G C 0.560 175.419 174.900 -0.068 0.000 1.012 449 G CA 0.774 45.826 45.100 -0.080 0.000 0.749 449 G HN 0.701 nan 8.290 nan 0.000 0.512 450 R N -0.728 119.735 120.500 -0.061 0.000 2.518 450 R HA 0.221 4.561 4.340 0.000 0.000 0.419 450 R C -0.010 176.270 176.300 -0.033 0.000 0.902 450 R CA -0.161 55.919 56.100 -0.034 0.000 1.146 450 R CB 0.477 30.771 30.300 -0.011 0.000 1.652 450 R HN 0.422 nan 8.270 nan 0.000 0.555 451 E N 1.001 121.161 120.200 -0.067 0.000 2.398 451 E HA 0.075 4.426 4.350 0.000 0.000 0.263 451 E C -0.034 176.534 176.600 -0.054 0.000 1.046 451 E CA -0.005 56.358 56.400 -0.061 0.000 0.908 451 E CB 0.723 30.367 29.700 -0.094 0.000 0.963 451 E HN 0.078 nan 8.360 nan 0.000 0.431 452 I N 2.738 123.272 120.570 -0.059 0.000 2.505 452 I HA -0.003 4.167 4.170 0.000 0.000 0.287 452 I C -0.018 176.097 176.117 -0.004 0.000 1.104 452 I CA -0.118 61.149 61.300 -0.056 0.000 1.387 452 I CB -0.267 37.585 38.000 -0.247 0.000 1.404 452 I HN 0.230 nan 8.210 nan 0.000 0.528 453 V N 8.001 127.933 119.914 0.029 0.000 2.508 453 V HA 0.072 4.192 4.120 0.000 0.000 0.281 453 V C 0.486 176.614 176.094 0.057 0.000 1.041 453 V CA -0.400 61.912 62.300 0.020 0.000 1.016 453 V CB 1.431 33.256 31.823 0.004 0.000 0.984 453 V HN 0.436 nan 8.190 nan 0.000 0.478 454 V N 8.345 128.246 119.914 -0.021 0.000 2.364 454 V HA 0.270 4.390 4.120 0.000 0.000 0.272 454 V C -2.070 173.887 176.094 -0.228 0.000 1.036 454 V CA -1.830 60.356 62.300 -0.190 0.000 0.880 454 V CB 1.136 32.872 31.823 -0.145 0.000 0.991 454 V HN 0.782 nan 8.190 nan 0.000 0.460 455 P HA 0.061 nan 4.420 nan 0.000 0.264 455 P C 0.709 177.905 177.300 -0.173 0.000 1.193 455 P CA 0.080 63.060 63.100 -0.201 0.000 0.763 455 P CB 0.565 32.143 31.700 -0.203 0.000 0.810 456 D N 2.554 122.893 120.400 -0.102 0.000 2.191 456 D HA -0.254 4.386 4.640 0.000 0.000 0.195 456 D C 1.093 177.342 176.300 -0.084 0.000 1.003 456 D CA 1.726 55.679 54.000 -0.079 0.000 0.867 456 D CB -0.016 40.755 40.800 -0.048 0.000 0.926 456 D HN 0.468 nan 8.370 nan 0.000 0.450 457 D N -0.578 119.773 120.400 -0.081 0.000 2.340 457 D HA -0.077 4.563 4.640 0.000 0.000 0.220 457 D C 0.314 176.576 176.300 -0.064 0.000 1.039 457 D CA -0.085 53.880 54.000 -0.059 0.000 0.866 457 D CB -0.002 40.778 40.800 -0.033 0.000 0.913 457 D HN 0.235 nan 8.370 nan 0.000 0.523 458 I N 2.038 122.538 120.570 -0.116 0.000 2.337 458 I HA 0.087 4.257 4.170 0.000 0.000 0.291 458 I C 1.498 177.561 176.117 -0.091 0.000 1.046 458 I CA -0.198 61.038 61.300 -0.106 0.000 1.324 458 I CB 1.205 39.041 38.000 -0.273 0.000 1.409 458 I HN 0.022 nan 8.210 nan 0.000 0.494 459 E N 5.722 125.890 120.200 -0.053 0.000 2.033 459 E HA -0.079 4.271 4.350 0.000 0.000 0.189 459 E C -0.392 176.037 176.600 -0.284 0.000 0.979 459 E CA 1.021 57.303 56.400 -0.196 0.000 0.802 459 E CB 0.295 29.862 29.700 -0.221 0.000 0.763 459 E HN 0.506 nan 8.360 nan 0.000 0.449 460 Y N 0.252 120.570 120.300 0.030 0.000 2.335 460 Y HA 0.349 4.899 4.550 0.000 0.000 0.338 460 Y C -0.498 175.426 175.900 0.041 0.000 0.977 460 Y CA -0.978 57.105 58.100 -0.028 0.000 1.114 460 Y CB 1.854 40.239 38.460 -0.125 0.000 1.182 460 Y HN -0.209 nan 8.280 nan 0.000 0.463 461 V N 4.293 124.320 119.914 0.188 0.000 2.481 461 V HA 0.239 4.359 4.120 0.000 0.000 0.286 461 V C -0.786 175.425 176.094 0.195 0.000 1.042 461 V CA -1.098 61.392 62.300 0.316 0.000 0.928 461 V CB 0.682 32.695 31.823 0.316 0.000 0.986 461 V HN 0.580 nan 8.190 nan 0.000 0.462 462 Y N 4.926 125.373 120.300 0.245 0.000 2.335 462 Y HA 0.653 5.204 4.550 0.000 0.000 0.339 462 Y C 0.019 176.150 175.900 0.384 0.000 0.987 462 Y CA -0.553 57.676 58.100 0.215 0.000 1.140 462 Y CB 1.250 39.650 38.460 -0.101 0.000 1.173 462 Y HN 0.409 nan 8.280 nan 0.000 0.486 463 L N 4.728 126.300 121.223 0.582 0.000 2.362 463 L HA 0.724 5.064 4.340 0.000 0.000 0.275 463 L C -0.462 176.745 176.870 0.562 0.000 0.998 463 L CA -0.889 54.300 54.840 0.583 0.000 0.820 463 L CB 2.267 44.590 42.059 0.439 0.000 1.270 463 L HN 0.562 nan 8.230 nan 0.000 0.415 464 R N 1.807 122.628 120.500 0.535 0.000 2.725 464 R HA 0.821 5.161 4.340 0.000 0.000 0.277 464 R C -2.071 174.397 176.300 0.281 0.000 0.987 464 R CA -0.577 55.683 56.100 0.267 0.000 0.901 464 R CB 2.651 32.882 30.300 -0.115 0.000 1.207 464 R HN 0.412 nan 8.270 nan 0.000 0.463 465 V N 2.750 122.735 119.914 0.119 0.000 2.709 465 V HA 0.589 4.709 4.120 0.000 0.000 0.308 465 V C -1.325 174.658 176.094 -0.185 0.000 1.062 465 V CA -0.269 62.007 62.300 -0.040 0.000 0.901 465 V CB 2.476 34.219 31.823 -0.134 0.000 1.003 465 V HN 0.922 nan 8.190 nan 0.000 0.425 466 T N 5.764 120.198 114.554 -0.199 0.000 2.791 466 T HA 0.534 4.884 4.350 0.000 0.000 0.288 466 T C -0.609 173.918 174.700 -0.289 0.000 0.999 466 T CA -0.350 61.595 62.100 -0.258 0.000 0.952 466 T CB 1.311 70.089 68.868 -0.150 0.000 0.938 466 T HN 0.449 nan 8.240 nan 0.000 0.444 467 V N 4.424 123.989 119.914 -0.581 0.000 2.370 467 V HA 0.348 4.468 4.120 0.000 0.000 0.279 467 V C 0.096 176.085 176.094 -0.174 0.000 1.029 467 V CA -0.610 61.355 62.300 -0.559 0.000 0.870 467 V CB 1.318 32.292 31.823 -1.415 0.000 0.984 467 V HN 0.860 nan 8.190 nan 0.000 0.451 468 Q N 3.955 123.732 119.800 -0.038 0.000 2.849 468 Q HA 0.602 4.942 4.340 0.000 0.000 0.289 468 Q C 0.866 176.857 176.000 -0.015 0.000 1.012 468 Q CA 0.279 56.037 55.803 -0.076 0.000 0.899 468 Q CB 1.391 30.057 28.738 -0.119 0.000 1.235 468 Q HN 1.039 nan 8.270 nan 0.000 0.457 469 A N 0.605 123.480 122.820 0.091 0.000 4.974 469 A HA -0.426 3.894 4.320 0.000 0.000 0.339 469 A C 1.837 179.559 177.584 0.231 0.000 1.785 469 A CA 2.694 54.841 52.037 0.183 0.000 0.707 469 A CB -2.292 16.718 19.000 0.018 0.000 1.430 469 A HN 0.724 nan 8.150 nan 0.000 0.398 470 T N -1.970 112.664 114.554 0.133 0.000 2.867 470 T HA 0.295 4.645 4.350 0.000 0.000 0.268 470 T C 1.016 175.834 174.700 0.196 0.000 1.057 470 T CA 2.386 64.580 62.100 0.157 0.000 1.136 470 T CB -0.993 67.917 68.868 0.070 0.000 0.874 470 T HN 2.307 nan 8.240 nan 0.000 0.466 471 T N -0.231 114.416 114.554 0.155 0.000 2.906 471 T HA 0.665 5.015 4.350 0.000 0.000 0.295 471 T C -1.183 173.625 174.700 0.179 0.000 1.075 471 T CA -1.184 60.986 62.100 0.117 0.000 1.005 471 T CB 2.139 71.016 68.868 0.015 0.000 1.136 471 T HN 0.565 nan 8.240 nan 0.000 0.498 472 Y N -1.303 119.047 120.300 0.084 0.000 2.615 472 Y HA 0.861 5.411 4.550 0.000 0.000 0.341 472 Y C -1.217 174.724 175.900 0.068 0.000 1.089 472 Y CA -1.369 56.731 58.100 0.000 0.000 1.049 472 Y CB 1.668 40.074 38.460 -0.090 0.000 1.296 472 Y HN 0.777 nan 8.280 nan 0.000 0.470 473 K N 1.397 121.888 120.400 0.152 0.000 2.464 473 K HA 0.426 4.746 4.320 0.000 0.000 0.253 473 K C -2.039 174.642 176.600 0.134 0.000 0.933 473 K CA -0.912 55.471 56.287 0.159 0.000 0.801 473 K CB 2.253 34.816 32.500 0.105 0.000 1.271 473 K HN 0.664 nan 8.250 nan 0.000 0.430 474 Y N 0.723 121.247 120.300 0.373 0.000 2.310 474 Y HA 0.279 4.829 4.550 0.000 0.000 0.326 474 Y C 0.694 176.772 175.900 0.297 0.000 1.151 474 Y CA -0.012 58.285 58.100 0.330 0.000 1.195 474 Y CB 1.733 40.412 38.460 0.365 0.000 1.210 474 Y HN 0.580 nan 8.280 nan 0.000 0.483 475 S N 2.022 118.010 115.700 0.480 0.000 2.661 475 S HA 0.823 5.293 4.470 0.000 0.000 0.285 475 S C -1.524 173.469 174.600 0.655 0.000 1.138 475 S CA -0.915 57.562 58.200 0.463 0.000 0.855 475 S CB 2.044 65.427 63.200 0.305 0.000 1.136 475 S HN 0.651 nan 8.310 nan 0.000 0.484 476 Y N -1.570 119.007 120.300 0.461 0.000 2.615 476 Y HA 0.879 5.429 4.550 0.000 0.000 0.341 476 Y C -0.755 175.090 175.900 -0.091 0.000 1.089 476 Y CA -0.870 57.414 58.100 0.307 0.000 1.049 476 Y CB 1.405 39.945 38.460 0.133 0.000 1.296 476 Y HN 0.891 nan 8.280 nan 0.000 0.470 477 S N 0.772 116.235 115.700 -0.395 0.000 2.533 477 S HA 0.535 5.005 4.470 0.000 0.000 0.271 477 S C -1.322 173.173 174.600 -0.175 0.000 1.143 477 S CA -0.636 57.084 58.200 -0.800 0.000 0.891 477 S CB 0.568 62.693 63.200 -1.791 0.000 1.105 477 S HN 0.592 nan 8.310 nan 0.000 0.468 478 F N 2.301 122.207 119.950 -0.074 0.000 2.693 478 F HA 0.282 4.809 4.527 0.000 0.000 0.303 478 F C 1.257 177.073 175.800 0.026 0.000 1.097 478 F CA -0.308 57.753 58.000 0.102 0.000 1.330 478 F CB 0.058 39.125 39.000 0.112 0.000 1.067 478 F HN 0.712 nan 8.300 nan 0.000 0.565 479 D N -3.943 116.344 120.400 -0.189 0.000 2.410 479 D HA 0.256 4.897 4.640 0.000 0.000 0.275 479 D C 1.686 177.550 176.300 -0.727 0.000 1.152 479 D CA 0.693 54.533 54.000 -0.267 0.000 0.825 479 D CB 0.103 40.825 40.800 -0.129 0.000 1.312 479 D HN 0.066 nan 8.370 nan 0.000 0.532 480 G N 0.429 108.354 108.800 -1.459 0.000 2.199 480 G HA2 -0.385 3.575 3.960 0.000 0.000 0.254 480 G HA3 -0.385 3.575 3.960 0.000 0.000 0.254 480 G C 0.917 175.562 174.900 -0.425 0.000 0.982 480 G CA 0.857 45.217 45.100 -1.234 0.000 0.632 480 G HN 0.345 nan 8.290 nan 0.000 0.529 481 M N -0.479 118.877 119.600 -0.408 0.000 2.925 481 M HA 0.283 4.763 4.480 0.000 0.000 0.249 481 M C 0.277 176.523 176.300 -0.090 0.000 1.439 481 M CA 0.331 55.558 55.300 -0.121 0.000 1.217 481 M CB 0.274 32.819 32.600 -0.092 0.000 1.245 481 M HN 0.055 nan 8.290 nan 0.000 0.552 482 N N 0.497 119.034 118.700 -0.272 0.000 2.485 482 N HA 0.227 4.967 4.740 0.000 0.000 0.243 482 N C -1.811 173.478 175.510 -0.369 0.000 0.987 482 N CA 0.003 52.935 53.050 -0.196 0.000 0.940 482 N CB 0.603 38.996 38.487 -0.158 0.000 1.122 482 N HN 0.123 nan 8.380 nan 0.000 0.509 483 W N 2.010 123.197 121.300 -0.188 0.000 2.512 483 W HA 0.589 5.249 4.660 0.000 0.000 0.335 483 W C 0.330 176.676 176.519 -0.287 0.000 1.088 483 W CA -0.554 56.646 57.345 -0.242 0.000 1.236 483 W CB 1.140 30.519 29.460 -0.134 0.000 1.307 483 W HN 0.193 nan 8.180 nan 0.000 0.567 484 I N 2.840 123.269 120.570 -0.234 0.000 2.466 484 I HA 0.152 4.322 4.170 0.000 0.000 0.289 484 I C -0.524 175.565 176.117 -0.047 0.000 1.026 484 I CA -1.066 60.082 61.300 -0.252 0.000 1.078 484 I CB 1.430 39.116 38.000 -0.523 0.000 1.249 484 I HN 0.172 nan 8.210 nan 0.000 0.429 485 D N 6.078 126.517 120.400 0.066 0.000 2.382 485 D HA 0.335 4.975 4.640 0.000 0.000 0.245 485 D C -0.276 176.148 176.300 0.207 0.000 1.120 485 D CA 0.125 54.213 54.000 0.147 0.000 0.890 485 D CB 1.237 42.097 40.800 0.099 0.000 1.201 485 D HN 0.236 nan 8.370 nan 0.000 0.433 486 L N 4.004 125.394 121.223 0.278 0.000 2.326 486 L HA 0.272 4.612 4.340 0.000 0.000 0.278 486 L C -1.750 175.224 176.870 0.173 0.000 1.092 486 L CA -1.570 53.427 54.840 0.262 0.000 0.810 486 L CB 0.896 43.152 42.059 0.330 0.000 1.153 486 L HN 0.198 nan 8.230 nan 0.000 0.439 487 P HA 0.117 nan 4.420 nan 0.000 0.228 487 P C -1.030 176.262 177.300 -0.014 0.000 1.748 487 P CA 0.156 63.283 63.100 0.045 0.000 0.909 487 P CB -0.011 31.710 31.700 0.036 0.000 1.882 488 V N -0.133 119.757 119.914 -0.041 0.000 2.668 488 V HA 0.305 4.426 4.120 0.000 0.000 0.304 488 V C 0.043 175.934 176.094 -0.339 0.000 1.071 488 V CA -0.405 61.743 62.300 -0.253 0.000 0.894 488 V CB 2.427 34.017 31.823 -0.389 0.000 1.008 488 V HN 0.006 nan 8.190 nan 0.000 0.425 489 T N 5.308 119.632 114.554 -0.385 0.000 2.767 489 T HA 0.681 5.031 4.350 0.000 0.000 0.288 489 T C -0.565 173.808 174.700 -0.546 0.000 0.963 489 T CA 0.009 61.913 62.100 -0.326 0.000 1.019 489 T CB 0.453 69.215 68.868 -0.176 0.000 0.923 489 T HN 0.288 nan 8.240 nan 0.000 0.468 490 F N 1.405 121.131 119.950 -0.373 0.000 2.440 490 F HA 0.444 4.971 4.527 0.000 0.000 0.328 490 F C 0.962 176.451 175.800 -0.518 0.000 1.070 490 F CA -1.096 56.565 58.000 -0.565 0.000 1.011 490 F CB 1.266 39.631 39.000 -1.058 0.000 1.226 490 F HN 0.453 nan 8.300 nan 0.000 0.491 491 E N 0.279 120.411 120.200 -0.114 0.000 2.145 491 E HA 0.242 4.593 4.350 0.000 0.000 0.270 491 E C 0.013 176.681 176.600 0.115 0.000 0.906 491 E CA -0.314 56.095 56.400 0.014 0.000 0.761 491 E CB 1.588 31.317 29.700 0.049 0.000 1.116 491 E HN 0.550 nan 8.360 nan 0.000 0.408 492 S N 1.693 117.607 115.700 0.357 0.000 2.419 492 S HA -0.222 4.249 4.470 0.000 0.000 0.235 492 S C 1.713 176.430 174.600 0.195 0.000 1.019 492 S CA 1.166 59.653 58.200 0.479 0.000 0.982 492 S CB -0.357 63.223 63.200 0.633 0.000 0.789 492 S HN 0.694 nan 8.310 nan 0.000 0.490 493 Y N 1.802 122.089 120.300 -0.022 0.000 2.403 493 Y HA 0.087 4.637 4.550 0.000 0.000 0.291 493 Y C 1.526 177.180 175.900 -0.410 0.000 1.143 493 Y CA 0.870 58.837 58.100 -0.221 0.000 1.257 493 Y CB -0.477 37.653 38.460 -0.551 0.000 0.984 493 Y HN 0.044 nan 8.280 nan 0.000 0.550 494 K N 0.055 119.799 120.400 -1.093 0.000 2.504 494 K HA 0.051 4.372 4.320 0.000 0.000 0.195 494 K C 0.106 176.463 176.600 -0.404 0.000 1.036 494 K CA 0.285 55.865 56.287 -1.178 0.000 0.984 494 K CB 0.092 31.935 32.500 -1.095 0.000 0.788 494 K HN 0.247 nan 8.250 nan 0.000 0.488 495 L N 0.849 121.935 121.223 -0.229 0.000 3.062 495 L HA 0.125 4.465 4.340 0.000 0.000 0.255 495 L C -0.119 176.682 176.870 -0.114 0.000 1.274 495 L CA -0.002 54.753 54.840 -0.142 0.000 1.047 495 L CB 0.100 42.043 42.059 -0.193 0.000 1.402 495 L HN -0.047 nan 8.230 nan 0.000 0.550 496 S N -3.863 111.744 115.700 -0.154 0.000 2.600 496 S HA 0.463 4.933 4.470 0.000 0.000 0.300 496 S C 0.609 175.060 174.600 -0.247 0.000 1.087 496 S CA -0.750 57.439 58.200 -0.018 0.000 0.965 496 S CB 1.873 65.226 63.200 0.255 0.000 1.089 496 S HN 0.088 nan 8.310 nan 0.000 0.496 497 D N 1.712 122.078 120.400 -0.056 0.000 2.133 497 D HA -0.156 4.484 4.640 0.000 0.000 0.192 497 D C 1.049 177.338 176.300 -0.017 0.000 1.001 497 D CA 2.163 56.124 54.000 -0.066 0.000 0.844 497 D CB -0.624 40.225 40.800 0.081 0.000 0.944 497 D HN 0.801 nan 8.370 nan 0.000 0.447 498 D N -1.081 119.418 120.400 0.166 0.000 2.264 498 D HA -0.143 4.497 4.640 0.000 0.000 0.208 498 D C 1.684 178.232 176.300 0.414 0.000 0.966 498 D CA 0.419 54.573 54.000 0.257 0.000 0.864 498 D CB -0.228 40.721 40.800 0.249 0.000 0.933 498 D HN 0.257 nan 8.370 nan 0.000 0.499 499 Y N 1.244 121.742 120.300 0.330 0.000 2.395 499 Y HA 0.043 4.593 4.550 0.000 0.000 0.293 499 Y C 0.386 176.386 175.900 0.167 0.000 1.123 499 Y CA 0.204 58.481 58.100 0.297 0.000 1.227 499 Y CB 0.143 38.660 38.460 0.095 0.000 1.012 499 Y HN -0.187 nan 8.280 nan 0.000 0.552 500 I N 2.512 123.057 120.570 -0.043 0.000 2.598 500 I HA -0.072 4.098 4.170 0.000 0.000 0.284 500 I C 1.067 177.191 176.117 0.011 0.000 1.140 500 I CA 0.215 61.442 61.300 -0.122 0.000 1.420 500 I CB 0.811 38.645 38.000 -0.277 0.000 1.387 500 I HN 0.164 nan 8.210 nan 0.000 0.553 501 K N 3.609 124.130 120.400 0.202 0.000 2.432 501 K HA -0.034 4.286 4.320 0.000 0.000 0.196 501 K C 1.839 178.456 176.600 0.028 0.000 1.038 501 K CA 0.710 57.028 56.287 0.051 0.000 0.986 501 K CB -0.066 32.394 32.500 -0.067 0.000 0.782 501 K HN 0.749 nan 8.250 nan 0.000 0.485 502 S N 0.302 116.010 115.700 0.013 0.000 2.461 502 S HA -0.035 4.435 4.470 0.000 0.000 0.228 502 S C 0.959 175.541 174.600 -0.031 0.000 1.005 502 S CA 0.220 58.417 58.200 -0.006 0.000 0.942 502 S CB -0.024 63.162 63.200 -0.024 0.000 0.776 502 S HN 0.299 nan 8.310 nan 0.000 0.514 503 R N -0.259 120.195 120.500 -0.077 0.000 4.010 503 R HA -0.180 4.160 4.340 0.000 0.000 0.409 503 R C 0.242 176.355 176.300 -0.311 0.000 1.120 503 R CA 0.756 56.785 56.100 -0.118 0.000 1.244 503 R CB -2.298 28.005 30.300 0.005 0.000 1.799 503 R HN 0.588 nan 8.270 nan 0.000 0.559 504 A N 0.977 123.599 122.820 -0.331 0.000 2.922 504 A HA 0.620 4.940 4.320 0.000 0.000 0.298 504 A C 0.348 177.516 177.584 -0.692 0.000 1.588 504 A CA 0.540 52.213 52.037 -0.607 0.000 1.288 504 A CB 0.262 19.157 19.000 -0.176 0.000 1.130 504 A HN 0.392 nan 8.150 nan 0.000 0.557 505 A N 1.503 123.667 122.820 -1.092 0.000 3.156 505 A HA 0.632 4.952 4.320 0.000 0.000 0.311 505 A C -0.638 176.657 177.584 -0.482 0.000 1.129 505 A CA -0.268 51.477 52.037 -0.488 0.000 0.809 505 A CB -0.007 18.835 19.000 -0.264 0.000 1.257 505 A HN 0.517 nan 8.150 nan 0.000 0.491 506 F N 0.417 120.145 119.950 -0.371 0.000 2.683 506 F HA 0.143 4.670 4.527 0.000 0.000 0.306 506 F C 1.823 177.156 175.800 -0.778 0.000 1.102 506 F CA 0.570 58.154 58.000 -0.693 0.000 1.244 506 F CB 0.093 38.317 39.000 -1.294 0.000 1.029 506 F HN 0.503 nan 8.300 nan 0.000 0.545 507 T N -2.210 112.032 114.554 -0.520 0.000 3.074 507 T HA 0.780 5.130 4.350 0.000 0.000 0.182 507 T C 0.875 175.239 174.700 -0.561 0.000 0.747 507 T CA 0.262 61.796 62.100 -0.944 0.000 1.884 507 T CB 0.252 68.412 68.868 -1.179 0.000 2.388 507 T HN 0.252 nan 8.240 nan 0.000 0.421 508 G N 0.012 108.460 108.800 -0.586 0.000 2.350 508 G HA2 0.529 4.489 3.960 0.000 0.000 0.304 508 G HA3 0.529 4.489 3.960 0.000 0.000 0.304 508 G C -1.126 173.663 174.900 -0.186 0.000 1.421 508 G CA -0.509 44.502 45.100 -0.148 0.000 0.934 508 G HN 0.937 nan 8.290 nan 0.000 0.632 509 A N -0.336 122.378 122.820 -0.178 0.000 2.354 509 A HA 0.820 5.141 4.320 0.000 0.000 0.269 509 A C -0.702 176.695 177.584 -0.312 0.000 1.109 509 A CA 0.021 51.822 52.037 -0.393 0.000 0.800 509 A CB 0.163 18.401 19.000 -1.270 0.000 1.045 509 A HN 0.889 nan 8.150 nan 0.000 0.489 510 F N 0.686 120.518 119.950 -0.196 0.000 2.561 510 F HA 0.580 5.107 4.527 0.000 0.000 0.321 510 F C 0.122 176.121 175.800 0.332 0.000 1.065 510 F CA -0.707 57.289 58.000 -0.006 0.000 0.934 510 F CB 2.400 41.296 39.000 -0.173 0.000 1.215 510 F HN 0.433 nan 8.300 nan 0.000 0.471 511 V N 2.081 122.307 119.914 0.519 0.000 2.588 511 V HA 0.970 5.090 4.120 0.000 0.000 0.304 511 V C -0.584 175.786 176.094 0.460 0.000 1.042 511 V CA 0.105 62.777 62.300 0.621 0.000 0.877 511 V CB 1.197 33.445 31.823 0.707 0.000 0.996 511 V HN 0.904 nan 8.190 nan 0.000 0.425 512 G N 5.282 114.390 108.800 0.513 0.000 2.634 512 G HA2 0.549 4.509 3.960 0.000 0.000 0.309 512 G HA3 0.549 4.509 3.960 0.000 0.000 0.309 512 G C -1.687 173.415 174.900 0.337 0.000 1.299 512 G CA -0.964 44.274 45.100 0.229 0.000 0.798 512 G HN 0.711 nan 8.290 nan 0.000 0.490 513 M N 1.207 120.825 119.600 0.029 0.000 2.311 513 M HA 0.450 4.930 4.480 0.000 0.000 0.325 513 M C -0.935 175.394 176.300 0.049 0.000 1.061 513 M CA -0.744 54.438 55.300 -0.198 0.000 0.957 513 M CB 2.279 34.209 32.600 -1.118 0.000 1.646 513 M HN 0.606 nan 8.290 nan 0.000 0.434 514 H N 1.487 120.584 119.070 0.046 0.000 2.717 514 H HA 0.571 5.127 4.556 0.000 0.000 0.366 514 H C -1.883 173.459 175.328 0.022 0.000 1.132 514 H CA -0.601 55.461 56.048 0.022 0.000 1.180 514 H CB 2.247 31.869 29.762 -0.233 0.000 1.678 514 H HN 0.873 nan 8.280 nan 0.000 0.537 515 C N 6.258 125.354 119.300 -0.341 0.000 2.431 515 C HA 0.514 4.974 4.460 0.000 0.000 0.321 515 C C -0.601 174.224 174.990 -0.275 0.000 1.202 515 C CA -0.638 58.240 59.018 -0.233 0.000 1.398 515 C CB 0.667 28.317 27.740 -0.151 0.000 2.047 515 C HN 0.933 nan 8.230 nan 0.000 0.465 516 R N 3.798 124.265 120.500 -0.056 0.000 2.494 516 R HA 0.508 4.848 4.340 0.000 0.000 0.305 516 R C -1.609 174.737 176.300 0.078 0.000 0.959 516 R CA -0.124 56.000 56.100 0.041 0.000 0.864 516 R CB 1.380 31.772 30.300 0.154 0.000 1.159 516 R HN 0.807 nan 8.270 nan 0.000 0.446 517 D N 3.171 123.610 120.400 0.066 0.000 2.375 517 D HA 0.241 4.881 4.640 0.000 0.000 0.259 517 D C 0.357 176.678 176.300 0.036 0.000 1.235 517 D CA -0.318 53.724 54.000 0.070 0.000 0.924 517 D CB 1.359 42.204 40.800 0.076 0.000 1.143 517 D HN 0.808 nan 8.370 nan 0.000 0.529 518 G N 1.341 110.162 108.800 0.034 0.000 2.920 518 G HA2 -0.073 3.887 3.960 0.000 0.000 0.208 518 G HA3 -0.073 3.887 3.960 0.000 0.000 0.208 518 G C 1.235 176.127 174.900 -0.014 0.000 1.159 518 G CA 0.645 45.757 45.100 0.021 0.000 0.784 518 G HN 0.446 nan 8.290 nan 0.000 0.535 519 S N -0.855 114.820 115.700 -0.042 0.000 2.456 519 S HA 0.353 4.823 4.470 0.000 0.000 0.224 519 S C 1.756 176.324 174.600 -0.053 0.000 1.035 519 S CA 1.083 59.239 58.200 -0.074 0.000 0.940 519 S CB -0.003 63.120 63.200 -0.128 0.000 0.799 519 S HN 1.383 nan 8.310 nan 0.000 0.508 520 G N 1.105 109.885 108.800 -0.033 0.000 2.165 520 G HA2 -0.207 3.753 3.960 0.000 0.000 0.226 520 G HA3 -0.207 3.753 3.960 0.000 0.000 0.226 520 G C 0.213 175.098 174.900 -0.025 0.000 1.035 520 G CA 0.236 45.323 45.100 -0.023 0.000 0.744 520 G HN 0.550 nan 8.290 nan 0.000 0.501 521 Q N -0.627 119.156 119.800 -0.028 0.000 2.280 521 Q HA 0.226 4.566 4.340 0.000 0.000 0.201 521 Q C 1.358 177.365 176.000 0.012 0.000 0.890 521 Q CA 0.168 55.952 55.803 -0.032 0.000 0.947 521 Q CB 0.274 28.967 28.738 -0.075 0.000 1.081 521 Q HN 0.475 nan 8.270 nan 0.000 0.502 522 N N 1.240 119.970 118.700 0.051 0.000 2.714 522 N HA -0.190 4.550 4.740 0.000 0.000 0.250 522 N C -0.955 174.704 175.510 0.248 0.000 1.117 522 N CA 0.299 53.435 53.050 0.143 0.000 0.719 522 N CB -1.041 37.507 38.487 0.102 0.000 1.081 522 N HN 0.237 nan 8.380 nan 0.000 0.557 523 N N 0.624 119.390 118.700 0.111 0.000 2.492 523 N HA 0.173 4.914 4.740 0.000 0.000 0.262 523 N C -0.464 175.124 175.510 0.130 0.000 1.202 523 N CA 0.346 53.395 53.050 -0.001 0.000 0.926 523 N CB 0.218 38.665 38.487 -0.067 0.000 1.078 523 N HN 0.363 nan 8.380 nan 0.000 0.454 524 Y N 0.081 120.441 120.300 0.101 0.000 2.630 524 Y HA 0.861 5.411 4.550 0.000 0.000 0.337 524 Y C -0.609 175.352 175.900 0.102 0.000 1.051 524 Y CA -1.671 56.409 58.100 -0.032 0.000 1.121 524 Y CB 0.681 38.859 38.460 -0.469 0.000 1.299 524 Y HN 0.449 nan 8.280 nan 0.000 0.498 525 A N 0.807 123.729 122.820 0.171 0.000 2.386 525 A HA 0.590 4.910 4.320 0.000 0.000 0.311 525 A C -1.707 175.843 177.584 -0.058 0.000 1.068 525 A CA -0.806 51.242 52.037 0.019 0.000 0.743 525 A CB 0.985 19.776 19.000 -0.348 0.000 1.258 525 A HN 0.731 nan 8.150 nan 0.000 0.429 526 D N 1.640 121.968 120.400 -0.119 0.000 2.392 526 D HA 0.455 5.095 4.640 0.000 0.000 0.228 526 D C -1.287 174.998 176.300 -0.025 0.000 1.074 526 D CA 0.452 54.449 54.000 -0.005 0.000 0.838 526 D CB 0.817 41.623 40.800 0.010 0.000 1.067 526 D HN 0.323 nan 8.370 nan 0.000 0.511 527 F N 1.560 121.629 119.950 0.198 0.000 2.371 527 F HA 0.108 4.635 4.527 0.000 0.000 0.363 527 F C 1.700 177.737 175.800 0.394 0.000 1.122 527 F CA -0.709 57.445 58.000 0.257 0.000 1.129 527 F CB 1.275 40.397 39.000 0.204 0.000 1.173 527 F HN 0.178 nan 8.300 nan 0.000 0.489 528 D N 2.671 123.320 120.400 0.415 0.000 2.183 528 D HA -0.115 4.526 4.640 0.000 0.000 0.203 528 D C -0.302 176.204 176.300 0.344 0.000 0.969 528 D CA 1.532 55.638 54.000 0.177 0.000 0.842 528 D CB 0.223 41.010 40.800 -0.021 0.000 0.957 528 D HN 0.473 nan 8.370 nan 0.000 0.484 529 Y N -3.261 117.210 120.300 0.285 0.000 2.713 529 Y HA 0.504 5.054 4.550 0.000 0.000 0.335 529 Y C -1.985 174.015 175.900 0.168 0.000 1.222 529 Y CA -1.836 56.243 58.100 -0.035 0.000 1.061 529 Y CB 0.550 38.972 38.460 -0.063 0.000 1.314 529 Y HN -0.215 nan 8.280 nan 0.000 0.453 530 F N 3.115 123.055 119.950 -0.017 0.000 2.536 530 F HA 0.666 5.193 4.527 0.000 0.000 0.322 530 F C -1.847 174.154 175.800 0.335 0.000 1.144 530 F CA -1.057 57.083 58.000 0.234 0.000 0.924 530 F CB 1.552 40.785 39.000 0.389 0.000 1.181 530 F HN 0.789 nan 8.300 nan 0.000 0.438 531 L N 7.347 128.502 121.223 -0.114 0.000 2.322 531 L HA 0.539 4.879 4.340 0.000 0.000 0.281 531 L C -1.977 174.818 176.870 -0.125 0.000 1.014 531 L CA -0.844 53.999 54.840 0.005 0.000 0.815 531 L CB 1.331 43.461 42.059 0.117 0.000 1.247 531 L HN 0.725 nan 8.230 nan 0.000 0.421 532 Y N 5.508 125.795 120.300 -0.022 0.000 2.354 532 Y HA 0.492 5.043 4.550 0.000 0.000 0.330 532 Y C -1.243 174.704 175.900 0.078 0.000 1.011 532 Y CA -0.784 57.319 58.100 0.004 0.000 1.099 532 Y CB 1.235 39.702 38.460 0.012 0.000 1.179 532 Y HN 0.548 nan 8.280 nan 0.000 0.442 533 K N 5.958 126.088 120.400 -0.450 0.000 2.565 533 K HA 0.222 4.542 4.320 0.000 0.000 0.249 533 K C -1.269 175.034 176.600 -0.496 0.000 0.958 533 K CA -0.611 55.466 56.287 -0.350 0.000 0.806 533 K CB 1.569 33.946 32.500 -0.205 0.000 1.194 533 K HN 0.869 nan 8.250 nan 0.000 0.434 534 E N 5.206 125.107 120.200 -0.497 0.000 2.415 534 E HA 0.072 4.423 4.350 0.000 0.000 0.263 534 E C -0.712 175.652 176.600 -0.394 0.000 0.995 534 E CA 0.011 56.091 56.400 -0.535 0.000 0.915 534 E CB 0.606 29.846 29.700 -0.768 0.000 0.951 534 E HN 0.462 nan 8.360 nan 0.000 0.449 535 L N 0.000 120.955 121.223 -0.446 0.000 2.949 535 L HA 0.000 4.340 4.340 0.000 0.000 0.249 535 L CA 0.000 54.511 54.840 -0.549 0.000 0.813 535 L CB 0.000 41.438 42.059 -1.034 0.000 0.961 535 L HN 0.000 nan 8.230 nan 0.000 0.502