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 3oqb_1_G DATA FIRST_RESID 3 DATA SEQUENCE TTQRLGLIXN GVTGRXGLNQ HLIRSIVAIR DQGGVRLKNG DRIXPDPILV DATA SEQUENCE GRSAEKVEAL AKRFNIARWT TDLDAALADK NDTXFFDAAT TQARPGLLTQ DATA SEQUENCE AINAGKHVYC EKPIATNFEE ALEVVKLANS KGVKHGTVQD KLFLPGLKKI DATA SEQUENCE AFLRDSGFFG RILSVRGEFG YWVFEGGWQE AQRPSWNYRD EDGGGIILDX DATA SEQUENCE VCHWRYVLDN LFGNVQSVVC IGNTDIPERF DEQGKKYKAT ADDSAYATFQ DATA SEQUENCE LEGGVIAHIN XSWVTRVYRD DLVTFQVDGT HGSAVAGLSD CXIQARQATP DATA SEQUENCE RPVWNPXXKR LHDFYGDWQK LPDNVSYDNG FKEQWEXFIR HVYEDAPYKF DATA SEQUENCE TLLEGAKGVQ LAECALKSWK ERRWIDVAPI 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 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.673 174.700 -0.044 0.000 1.109 3 T CA 0.000 62.081 62.100 -0.031 0.000 1.349 3 T CB 0.000 68.853 68.868 -0.025 0.000 0.612 4 T N 2.043 116.571 114.554 -0.043 0.000 2.904 4 T HA 0.601 4.951 4.350 -0.000 0.000 0.290 4 T C -0.953 173.707 174.700 -0.067 0.000 1.018 4 T CA 0.032 62.099 62.100 -0.056 0.000 1.075 4 T CB 1.040 69.882 68.868 -0.043 0.000 0.986 4 T HN 0.421 nan 8.240 nan 0.000 0.523 5 Q N 2.720 122.462 119.800 -0.097 0.000 2.281 5 Q HA 0.313 4.653 4.340 -0.000 0.000 0.263 5 Q C -0.988 174.936 176.000 -0.127 0.000 0.989 5 Q CA -0.705 55.030 55.803 -0.112 0.000 0.852 5 Q CB 1.291 29.930 28.738 -0.164 0.000 1.337 5 Q HN 0.657 nan 8.270 nan 0.000 0.418 6 R N 2.123 122.582 120.500 -0.068 0.000 2.489 6 R HA 0.190 4.530 4.340 -0.000 0.000 0.287 6 R C -0.691 175.591 176.300 -0.030 0.000 1.053 6 R CA -0.094 55.982 56.100 -0.040 0.000 1.036 6 R CB 0.468 30.768 30.300 -0.001 0.000 0.966 6 R HN 0.440 nan 8.270 nan 0.000 0.432 7 L N 2.866 124.080 121.223 -0.015 0.000 2.294 7 L HA 0.383 4.723 4.340 -0.000 0.000 0.283 7 L C -0.080 176.855 176.870 0.108 0.000 1.015 7 L CA -0.015 54.875 54.840 0.083 0.000 0.831 7 L CB 1.641 43.736 42.059 0.060 0.000 1.217 7 L HN 0.638 nan 8.230 nan 0.000 0.420 8 G N 5.495 114.379 108.800 0.140 0.000 2.605 8 G HA2 0.401 4.361 3.960 -0.000 0.000 0.301 8 G HA3 0.401 4.361 3.960 -0.000 0.000 0.301 8 G C -0.790 174.208 174.900 0.163 0.000 0.881 8 G CA -0.244 44.929 45.100 0.122 0.000 1.553 8 G HN 0.618 nan 8.290 nan 0.000 0.483 9 L N 4.659 125.975 121.223 0.154 0.000 2.296 9 L HA 0.763 5.103 4.340 -0.000 0.000 0.286 9 L C -0.063 176.932 176.870 0.209 0.000 1.023 9 L CA -1.217 53.746 54.840 0.205 0.000 0.812 9 L CB 1.322 43.482 42.059 0.168 0.000 1.223 9 L HN 0.489 nan 8.230 nan 0.000 0.421 13 G N 1.870 110.628 108.800 -0.070 0.000 2.821 13 G HA2 0.465 4.425 3.960 -0.000 0.000 0.289 13 G HA3 0.465 4.425 3.960 -0.000 0.000 0.289 13 G C -0.658 174.262 174.900 0.034 0.000 0.771 13 G CA 0.165 45.237 45.100 -0.046 0.000 1.908 13 G HN 0.140 nan 8.290 nan 0.000 0.539 14 V N 1.725 121.681 119.914 0.069 0.000 2.628 14 V HA 0.803 4.923 4.120 -0.000 0.000 0.306 14 V C 0.586 176.722 176.094 0.071 0.000 1.045 14 V CA -0.204 62.152 62.300 0.093 0.000 0.905 14 V CB 1.435 33.324 31.823 0.110 0.000 0.997 14 V HN 0.940 nan 8.190 nan 0.000 0.436 15 T N 2.741 117.337 114.554 0.070 0.000 0.541 15 T HA 0.262 4.612 4.350 -0.000 0.000 0.774 15 T C -0.007 174.726 174.700 0.056 0.000 0.992 15 T CA 0.541 62.676 62.100 0.060 0.000 4.077 15 T CB -0.677 68.223 68.868 0.052 0.000 2.303 15 T HN 2.792 nan 8.240 nan 0.000 0.398 16 G N 3.894 112.726 108.800 0.054 0.000 3.138 16 G HA2 0.247 4.207 3.960 -0.000 0.000 0.685 16 G HA3 0.247 4.207 3.960 -0.000 0.000 0.685 16 G C -0.129 174.809 174.900 0.063 0.000 0.995 16 G CA 0.702 45.836 45.100 0.057 0.000 0.849 16 G HN 1.773 nan 8.290 nan 0.000 0.537 20 L N 1.594 122.864 121.223 0.077 0.000 2.071 20 L HA 0.392 4.732 4.340 -0.000 0.000 0.201 20 L C 2.104 178.963 176.870 -0.018 0.000 1.076 20 L CA 2.216 57.077 54.840 0.036 0.000 0.755 20 L CB -0.728 41.359 42.059 0.046 0.000 0.915 20 L HN 0.261 nan 8.230 nan 0.000 0.445 21 N N -0.921 117.765 118.700 -0.023 0.000 2.142 21 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 21 N C 1.525 176.957 175.510 -0.129 0.000 1.023 21 N CA 1.235 54.250 53.050 -0.059 0.000 0.852 21 N CB 0.064 38.530 38.487 -0.035 0.000 0.998 21 N HN 0.501 nan 8.380 nan 0.000 0.424 22 Q N -0.607 119.070 119.800 -0.204 0.000 2.394 22 Q HA 0.097 4.437 4.340 -0.000 0.000 0.218 22 Q C 1.442 177.207 176.000 -0.391 0.000 0.907 22 Q CA 0.575 56.132 55.803 -0.411 0.000 0.919 22 Q CB 0.189 28.376 28.738 -0.919 0.000 1.051 22 Q HN 0.499 nan 8.270 nan 0.000 0.538 23 H N -0.371 118.618 119.070 -0.135 0.000 2.486 23 H HA 0.078 4.634 4.556 -0.000 0.000 0.287 23 H C 1.779 176.968 175.328 -0.231 0.000 1.010 23 H CA 0.532 56.549 56.048 -0.053 0.000 1.324 23 H CB 0.713 30.563 29.762 0.147 0.000 1.446 23 H HN 0.071 nan 8.280 nan 0.000 0.537 24 L N 0.386 121.564 121.223 -0.076 0.000 2.185 24 L HA 0.102 4.442 4.340 -0.000 0.000 0.198 24 L C 2.112 178.788 176.870 -0.325 0.000 1.079 24 L CA 1.111 55.830 54.840 -0.202 0.000 0.780 24 L CB -0.593 41.386 42.059 -0.133 0.000 0.955 24 L HN -0.003 nan 8.230 nan 0.000 0.462 25 I N -0.419 119.964 120.570 -0.313 0.000 2.162 25 I HA -0.166 4.004 4.170 -0.000 0.000 0.238 25 I C 2.276 178.249 176.117 -0.240 0.000 1.076 25 I CA 0.741 61.823 61.300 -0.363 0.000 1.353 25 I CB -0.332 37.512 38.000 -0.260 0.000 1.063 25 I HN 0.182 nan 8.210 nan 0.000 0.408 26 R N 0.440 120.834 120.500 -0.177 0.000 2.235 26 R HA 0.060 4.400 4.340 -0.000 0.000 0.213 26 R C 1.702 177.929 176.300 -0.121 0.000 1.059 26 R CA 0.691 56.722 56.100 -0.115 0.000 0.997 26 R CB -0.445 29.809 30.300 -0.076 0.000 0.884 26 R HN 0.364 nan 8.270 nan 0.000 0.462 27 S N -0.082 115.495 115.700 -0.204 0.000 3.386 27 S HA 0.141 4.611 4.470 -0.000 0.000 0.181 27 S C 1.711 176.081 174.600 -0.384 0.000 0.763 27 S CA -0.388 57.650 58.200 -0.270 0.000 0.847 27 S CB -0.254 62.745 63.200 -0.336 0.000 0.980 27 S HN -0.060 nan 8.310 nan 0.000 0.676 28 I N 2.403 122.639 120.570 -0.557 0.000 2.208 28 I HA -0.139 4.031 4.170 -0.000 0.000 0.245 28 I C 2.225 178.153 176.117 -0.315 0.000 1.097 28 I CA 1.058 62.047 61.300 -0.518 0.000 1.363 28 I CB -0.422 37.229 38.000 -0.581 0.000 1.051 28 I HN 0.120 nan 8.210 nan 0.000 0.413 29 V N 0.336 120.072 119.914 -0.295 0.000 2.307 29 V HA -0.269 3.851 4.120 -0.000 0.000 0.245 29 V C 2.593 178.595 176.094 -0.153 0.000 1.045 29 V CA 1.844 64.006 62.300 -0.229 0.000 1.024 29 V CB -1.116 30.490 31.823 -0.362 0.000 0.651 29 V HN 0.505 nan 8.190 nan 0.000 0.449 30 A N -0.411 122.315 122.820 -0.157 0.000 2.019 30 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 30 A C 2.135 179.665 177.584 -0.089 0.000 1.164 30 A CA 1.712 53.690 52.037 -0.099 0.000 0.644 30 A CB -0.557 18.390 19.000 -0.088 0.000 0.805 30 A HN 0.539 nan 8.150 nan 0.000 0.449 31 I N -1.566 118.929 120.570 -0.125 0.000 2.439 31 I HA -0.168 4.002 4.170 -0.000 0.000 0.251 31 I C 2.625 178.688 176.117 -0.090 0.000 1.139 31 I CA 1.130 62.364 61.300 -0.109 0.000 1.438 31 I CB -0.145 37.766 38.000 -0.149 0.000 1.085 31 I HN 0.218 nan 8.210 nan 0.000 0.427 32 R N 0.998 121.441 120.500 -0.094 0.000 2.092 32 R HA -0.137 4.203 4.340 -0.000 0.000 0.231 32 R C 1.447 177.723 176.300 -0.039 0.000 1.119 32 R CA 1.375 57.437 56.100 -0.064 0.000 0.970 32 R CB -0.129 30.137 30.300 -0.056 0.000 0.864 32 R HN 0.291 nan 8.270 nan 0.000 0.440 33 D N -0.356 120.023 120.400 -0.035 0.000 2.349 33 D HA -0.075 4.565 4.640 -0.000 0.000 0.224 33 D C 1.146 177.435 176.300 -0.020 0.000 1.029 33 D CA 0.603 54.593 54.000 -0.017 0.000 0.879 33 D CB 0.275 41.071 40.800 -0.006 0.000 0.906 33 D HN 0.398 nan 8.370 nan 0.000 0.528 34 Q N -0.678 119.103 119.800 -0.030 0.000 2.339 34 Q HA 0.165 4.505 4.340 -0.000 0.000 0.205 34 Q C 1.128 177.112 176.000 -0.027 0.000 0.925 34 Q CA 0.636 56.423 55.803 -0.027 0.000 0.898 34 Q CB 0.879 29.599 28.738 -0.031 0.000 1.013 34 Q HN 0.323 nan 8.270 nan 0.000 0.504 35 G N -0.560 108.220 108.800 -0.033 0.000 2.184 35 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.206 35 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.206 35 G C 0.346 175.219 174.900 -0.045 0.000 0.995 35 G CA -0.243 44.837 45.100 -0.034 0.000 0.651 35 G HN 0.754 nan 8.290 nan 0.000 0.511 36 G N -2.241 106.527 108.800 -0.053 0.000 2.353 36 G HA2 0.380 4.340 3.960 -0.000 0.000 0.615 36 G HA3 0.380 4.340 3.960 -0.000 0.000 0.615 36 G C -0.685 174.180 174.900 -0.059 0.000 1.280 36 G CA 0.084 45.144 45.100 -0.066 0.000 1.000 36 G HN 1.393 nan 8.290 nan 0.000 0.516 37 V N 2.555 122.429 119.914 -0.067 0.000 2.364 37 V HA 0.479 4.599 4.120 -0.000 0.000 0.272 37 V C 1.037 177.104 176.094 -0.045 0.000 1.036 37 V CA -0.653 61.618 62.300 -0.047 0.000 0.880 37 V CB 1.183 32.984 31.823 -0.037 0.000 0.991 37 V HN 0.916 nan 8.190 nan 0.000 0.460 38 R N 6.362 126.846 120.500 -0.028 0.000 2.449 38 R HA 0.332 4.672 4.340 -0.000 0.000 0.296 38 R C -0.866 175.425 176.300 -0.016 0.000 1.047 38 R CA -0.059 56.028 56.100 -0.023 0.000 1.018 38 R CB 0.392 30.683 30.300 -0.014 0.000 0.962 38 R HN 0.573 nan 8.270 nan 0.000 0.428 39 L N 2.202 123.413 121.223 -0.020 0.000 2.440 39 L HA 0.284 4.624 4.340 -0.000 0.000 0.262 39 L C 1.560 178.428 176.870 -0.003 0.000 1.072 39 L CA -0.754 54.080 54.840 -0.010 0.000 0.798 39 L CB 0.629 42.679 42.059 -0.015 0.000 1.307 39 L HN 0.605 nan 8.230 nan 0.000 0.475 40 K N 0.483 120.885 120.400 0.003 0.000 2.366 40 K HA -0.087 4.233 4.320 -0.000 0.000 0.198 40 K C 1.480 178.081 176.600 0.002 0.000 1.044 40 K CA 0.749 57.039 56.287 0.005 0.000 0.973 40 K CB 0.086 32.591 32.500 0.009 0.000 0.767 40 K HN 0.609 nan 8.250 nan 0.000 0.475 41 N N -1.401 117.298 118.700 -0.001 0.000 2.353 41 N HA 0.057 4.797 4.740 -0.000 0.000 0.185 41 N C 1.076 176.583 175.510 -0.006 0.000 1.098 41 N CA 1.058 54.107 53.050 -0.002 0.000 0.872 41 N CB 0.896 39.382 38.487 -0.001 0.000 0.970 41 N HN 0.201 nan 8.380 nan 0.000 0.467 42 G N 0.609 109.403 108.800 -0.009 0.000 2.561 42 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.203 42 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.203 42 G C -0.509 174.379 174.900 -0.019 0.000 1.101 42 G CA 0.086 45.179 45.100 -0.012 0.000 0.711 42 G HN 0.588 nan 8.290 nan 0.000 0.511 43 D N 1.446 121.832 120.400 -0.023 0.000 2.368 43 D HA 0.461 5.101 4.640 -0.000 0.000 0.240 43 D C 0.222 176.492 176.300 -0.049 0.000 1.169 43 D CA 0.095 54.074 54.000 -0.035 0.000 0.906 43 D CB 0.981 41.759 40.800 -0.036 0.000 1.187 43 D HN 0.512 nan 8.370 nan 0.000 0.435 44 R N 0.600 121.064 120.500 -0.062 0.000 2.562 44 R HA 0.438 4.778 4.340 -0.000 0.000 0.298 44 R C 0.018 176.248 176.300 -0.118 0.000 0.961 44 R CA -0.956 55.098 56.100 -0.076 0.000 0.881 44 R CB 1.682 31.947 30.300 -0.059 0.000 1.159 44 R HN 0.387 nan 8.270 nan 0.000 0.450 48 D N 2.771 123.168 120.400 -0.005 0.000 2.461 48 D HA 0.472 5.112 4.640 -0.000 0.000 0.240 48 D C -2.580 173.740 176.300 0.034 0.000 1.094 48 D CA -1.910 52.098 54.000 0.012 0.000 0.868 48 D CB 1.384 42.195 40.800 0.018 0.000 1.062 48 D HN -0.031 nan 8.370 nan 0.000 0.530 49 P HA 0.430 nan 4.420 nan 0.000 0.287 49 P C -0.771 176.578 177.300 0.081 0.000 1.270 49 P CA -0.786 62.347 63.100 0.054 0.000 0.844 49 P CB 1.545 33.256 31.700 0.018 0.000 1.068 50 I N 2.171 122.805 120.570 0.108 0.000 2.447 50 I HA 0.327 4.497 4.170 -0.000 0.000 0.287 50 I C -1.123 175.083 176.117 0.149 0.000 1.023 50 I CA -1.098 60.272 61.300 0.117 0.000 1.083 50 I CB 0.722 38.772 38.000 0.084 0.000 1.245 50 I HN 0.096 nan 8.210 nan 0.000 0.434 51 L N 7.820 129.145 121.223 0.170 0.000 2.275 51 L HA 0.584 4.924 4.340 -0.000 0.000 0.288 51 L C -0.516 176.468 176.870 0.191 0.000 1.046 51 L CA -0.865 54.082 54.840 0.178 0.000 0.805 51 L CB 1.318 43.477 42.059 0.166 0.000 1.193 51 L HN 0.265 nan 8.230 nan 0.000 0.426 52 V N 1.552 121.568 119.914 0.169 0.000 2.630 52 V HA 0.897 5.017 4.120 -0.000 0.000 0.305 52 V C 0.507 176.678 176.094 0.129 0.000 1.046 52 V CA -0.391 62.000 62.300 0.152 0.000 0.934 52 V CB 1.650 33.555 31.823 0.137 0.000 1.003 52 V HN 0.936 nan 8.190 nan 0.000 0.451 53 G N 1.759 110.630 108.800 0.117 0.000 2.708 53 G HA2 0.503 4.463 3.960 -0.000 0.000 0.289 53 G HA3 0.503 4.463 3.960 -0.000 0.000 0.289 53 G C -0.062 174.879 174.900 0.068 0.000 1.416 53 G CA -0.705 44.447 45.100 0.086 0.000 0.829 53 G HN 0.503 nan 8.290 nan 0.000 0.480 54 R N -0.931 119.597 120.500 0.047 0.000 2.092 54 R HA 0.129 4.469 4.340 -0.000 0.000 0.231 54 R C 0.526 176.849 176.300 0.038 0.000 1.119 54 R CA 1.177 57.297 56.100 0.034 0.000 0.970 54 R CB -0.033 30.279 30.300 0.020 0.000 0.864 54 R HN 0.403 nan 8.270 nan 0.000 0.440 55 S N -1.446 114.279 115.700 0.041 0.000 2.513 55 S HA 0.461 4.931 4.470 -0.000 0.000 0.299 55 S C 0.172 174.807 174.600 0.057 0.000 1.087 55 S CA -0.526 57.698 58.200 0.040 0.000 1.012 55 S CB 1.984 65.195 63.200 0.019 0.000 1.044 55 S HN 0.277 nan 8.310 nan 0.000 0.485 56 A N 2.049 124.917 122.820 0.081 0.000 1.854 56 A HA -0.021 4.299 4.320 -0.000 0.000 0.214 56 A C 1.622 179.188 177.584 -0.029 0.000 1.192 56 A CA 1.294 53.422 52.037 0.151 0.000 0.611 56 A CB -0.696 18.449 19.000 0.242 0.000 0.832 56 A HN 0.759 nan 8.150 nan 0.000 0.442 57 E N 0.248 120.396 120.200 -0.087 0.000 2.347 57 E HA -0.062 4.288 4.350 -0.000 0.000 0.196 57 E C 1.706 178.178 176.600 -0.213 0.000 1.008 57 E CA 0.891 57.158 56.400 -0.221 0.000 0.852 57 E CB -0.025 29.601 29.700 -0.123 0.000 0.783 57 E HN 0.607 nan 8.360 nan 0.000 0.505 58 K N -0.160 120.169 120.400 -0.118 0.000 2.418 58 K HA 0.061 4.381 4.320 -0.000 0.000 0.195 58 K C 1.715 178.266 176.600 -0.081 0.000 1.035 58 K CA 0.349 56.587 56.287 -0.082 0.000 1.003 58 K CB 0.361 32.843 32.500 -0.030 0.000 0.793 58 K HN 0.032 nan 8.250 nan 0.000 0.494 59 V N 1.477 121.331 119.914 -0.101 0.000 2.992 59 V HA -0.110 4.010 4.120 -0.000 0.000 0.250 59 V C 2.100 178.093 176.094 -0.169 0.000 1.090 59 V CA 1.246 63.519 62.300 -0.044 0.000 1.101 59 V CB 0.247 32.132 31.823 0.103 0.000 0.743 59 V HN 0.284 nan 8.190 nan 0.000 0.468 60 E N 0.529 120.424 120.200 -0.508 0.000 2.150 60 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 60 E C 2.097 178.518 176.600 -0.298 0.000 0.985 60 E CA 1.305 57.308 56.400 -0.662 0.000 0.814 60 E CB -0.280 28.780 29.700 -1.066 0.000 0.752 60 E HN 0.615 nan 8.360 nan 0.000 0.466 61 A N 0.736 123.426 122.820 -0.217 0.000 1.986 61 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 61 A C 2.068 179.617 177.584 -0.059 0.000 1.171 61 A CA 1.610 53.575 52.037 -0.120 0.000 0.640 61 A CB -0.497 18.450 19.000 -0.088 0.000 0.811 61 A HN 0.370 nan 8.150 nan 0.000 0.451 62 L N -2.078 119.136 121.223 -0.015 0.000 2.316 62 L HA 0.160 4.500 4.340 -0.000 0.000 0.207 62 L C 2.868 179.814 176.870 0.126 0.000 1.070 62 L CA 0.676 55.569 54.840 0.089 0.000 0.820 62 L CB -0.560 41.570 42.059 0.119 0.000 0.992 62 L HN 0.292 nan 8.230 nan 0.000 0.466 63 A N 0.172 123.033 122.820 0.068 0.000 1.930 63 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 63 A C 2.394 180.024 177.584 0.077 0.000 1.175 63 A CA 1.468 53.571 52.037 0.109 0.000 0.627 63 A CB -0.303 18.787 19.000 0.149 0.000 0.815 63 A HN 0.165 nan 8.150 nan 0.000 0.443 64 K N -0.631 119.765 120.400 -0.006 0.000 2.305 64 K HA 0.013 4.333 4.320 -0.000 0.000 0.199 64 K C 1.999 178.561 176.600 -0.064 0.000 1.047 64 K CA 0.280 56.551 56.287 -0.027 0.000 0.976 64 K CB -0.174 32.284 32.500 -0.069 0.000 0.765 64 K HN 0.323 nan 8.250 nan 0.000 0.474 65 R N -0.367 120.079 120.500 -0.089 0.000 2.193 65 R HA -0.025 4.315 4.340 -0.000 0.000 0.213 65 R C 0.148 176.118 176.300 -0.550 0.000 1.055 65 R CA 0.801 56.734 56.100 -0.279 0.000 0.995 65 R CB 0.205 30.355 30.300 -0.250 0.000 0.893 65 R HN 0.039 nan 8.270 nan 0.000 0.459 66 F N 1.766 121.712 119.950 -0.007 0.000 2.790 66 F HA 0.166 4.693 4.527 -0.000 0.000 0.371 66 F C 0.096 175.897 175.800 0.001 0.000 1.293 66 F CA -0.969 57.027 58.000 -0.007 0.000 1.205 66 F CB 0.053 39.046 39.000 -0.011 0.000 1.047 66 F HN 0.036 nan 8.300 nan 0.000 0.510 67 N N 0.939 119.697 118.700 0.098 0.000 2.730 67 N HA -0.262 4.478 4.740 -0.000 0.000 0.266 67 N C 0.743 176.311 175.510 0.096 0.000 0.949 67 N CA 0.520 53.617 53.050 0.078 0.000 0.829 67 N CB -0.882 37.632 38.487 0.045 0.000 0.916 67 N HN 0.390 nan 8.380 nan 0.000 0.558 68 I N -1.208 119.435 120.570 0.120 0.000 2.439 68 I HA -0.127 4.043 4.170 -0.000 0.000 0.251 68 I C 2.111 178.290 176.117 0.104 0.000 1.139 68 I CA 1.379 62.743 61.300 0.106 0.000 1.438 68 I CB -1.607 36.465 38.000 0.120 0.000 1.085 68 I HN 0.614 nan 8.210 nan 0.000 0.427 69 A N 0.655 123.553 122.820 0.131 0.000 3.383 69 A HA -0.258 4.062 4.320 -0.000 0.000 0.264 69 A C 0.689 178.362 177.584 0.149 0.000 1.154 69 A CA 1.074 53.192 52.037 0.134 0.000 1.179 69 A CB -1.668 17.381 19.000 0.082 0.000 1.133 69 A HN 0.513 nan 8.150 nan 0.000 0.933 70 R N -0.420 120.182 120.500 0.171 0.000 2.514 70 R HA 0.580 4.920 4.340 -0.000 0.000 0.296 70 R C -0.647 175.785 176.300 0.221 0.000 1.012 70 R CA 0.071 56.241 56.100 0.115 0.000 0.897 70 R CB 1.404 31.741 30.300 0.060 0.000 1.184 70 R HN 0.845 nan 8.270 nan 0.000 0.440 71 W N 1.054 122.377 121.300 0.038 0.000 3.217 71 W HA 0.739 5.399 4.660 0.000 0.000 0.323 71 W C -1.583 174.958 176.519 0.036 0.000 1.216 71 W CA -0.937 56.433 57.345 0.041 0.000 1.194 71 W CB 1.654 31.138 29.460 0.040 0.000 1.397 71 W HN 0.523 nan 8.180 nan 0.000 0.537 72 T N -0.096 114.590 114.554 0.220 0.000 2.711 72 T HA 0.516 4.866 4.350 -0.000 0.000 0.302 72 T C 0.061 174.871 174.700 0.184 0.000 1.373 72 T CA 0.439 62.572 62.100 0.056 0.000 1.000 72 T CB 1.348 70.177 68.868 -0.065 0.000 1.483 72 T HN 0.569 nan 8.240 nan 0.000 0.499 73 T N -1.397 113.223 114.554 0.109 0.000 3.028 73 T HA 0.277 4.627 4.350 -0.000 0.000 0.262 73 T C 0.007 174.738 174.700 0.051 0.000 0.916 73 T CA -0.181 61.982 62.100 0.105 0.000 0.873 73 T CB 0.054 69.000 68.868 0.130 0.000 1.232 73 T HN 0.483 nan 8.240 nan 0.000 0.529 74 D N 2.829 123.241 120.400 0.020 0.000 2.383 74 D HA 0.142 4.782 4.640 -0.000 0.000 0.245 74 D C 1.250 177.545 176.300 -0.008 0.000 1.263 74 D CA -0.470 53.530 54.000 -0.001 0.000 0.936 74 D CB 0.336 41.125 40.800 -0.019 0.000 1.053 74 D HN 0.007 nan 8.370 nan 0.000 0.507 75 L N 3.541 124.759 121.223 -0.009 0.000 2.012 75 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 75 L C 0.526 177.356 176.870 -0.066 0.000 1.073 75 L CA 1.936 56.761 54.840 -0.025 0.000 0.748 75 L CB -0.368 41.675 42.059 -0.026 0.000 0.891 75 L HN 0.408 nan 8.230 nan 0.000 0.431 76 D N -0.944 119.415 120.400 -0.067 0.000 2.325 76 D HA 0.112 4.752 4.640 -0.000 0.000 0.225 76 D C 1.582 177.844 176.300 -0.063 0.000 1.096 76 D CA 0.642 54.592 54.000 -0.083 0.000 0.844 76 D CB 0.234 40.987 40.800 -0.079 0.000 0.925 76 D HN 0.265 nan 8.370 nan 0.000 0.513 77 A N 0.907 123.698 122.820 -0.049 0.000 1.903 77 A HA 0.333 4.653 4.320 -0.000 0.000 0.213 77 A C 2.290 179.850 177.584 -0.041 0.000 1.185 77 A CA 0.980 52.991 52.037 -0.043 0.000 0.628 77 A CB -0.650 18.326 19.000 -0.040 0.000 0.830 77 A HN 0.277 nan 8.150 nan 0.000 0.446 78 A N -0.117 122.682 122.820 -0.036 0.000 1.930 78 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 78 A C 2.115 179.678 177.584 -0.035 0.000 1.175 78 A CA 1.389 53.414 52.037 -0.020 0.000 0.627 78 A CB -0.564 18.442 19.000 0.010 0.000 0.815 78 A HN 0.446 nan 8.150 nan 0.000 0.443 79 L N -0.889 120.285 121.223 -0.082 0.000 2.093 79 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 79 L C 3.052 179.878 176.870 -0.073 0.000 1.085 79 L CA 0.890 55.662 54.840 -0.114 0.000 0.755 79 L CB -0.467 41.481 42.059 -0.185 0.000 0.904 79 L HN 0.419 nan 8.230 nan 0.000 0.435 80 A N -0.879 121.904 122.820 -0.061 0.000 1.933 80 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 80 A C 0.917 178.480 177.584 -0.034 0.000 1.175 80 A CA 0.926 52.935 52.037 -0.046 0.000 0.628 80 A CB -0.488 18.487 19.000 -0.042 0.000 0.814 80 A HN 0.280 nan 8.150 nan 0.000 0.444 81 D N -0.713 119.670 120.400 -0.028 0.000 2.419 81 D HA 0.188 4.828 4.640 -0.000 0.000 0.236 81 D C 0.566 176.860 176.300 -0.010 0.000 1.165 81 D CA 0.578 54.568 54.000 -0.017 0.000 0.882 81 D CB 0.690 41.484 40.800 -0.010 0.000 1.201 81 D HN 0.285 nan 8.370 nan 0.000 0.443 82 K N 0.403 120.800 120.400 -0.005 0.000 2.477 82 K HA 0.015 4.335 4.320 -0.000 0.000 0.208 82 K C 1.093 177.699 176.600 0.010 0.000 1.117 82 K CA -0.226 56.060 56.287 -0.002 0.000 1.039 82 K CB 0.475 32.970 32.500 -0.008 0.000 0.937 82 K HN 0.256 nan 8.250 nan 0.000 0.570 83 N N 0.622 119.330 118.700 0.013 0.000 2.459 83 N HA -0.081 4.659 4.740 -0.000 0.000 0.181 83 N C -0.353 175.182 175.510 0.042 0.000 1.046 83 N CA 0.782 53.846 53.050 0.023 0.000 0.904 83 N CB 0.041 38.537 38.487 0.015 0.000 0.964 83 N HN 0.000 nan 8.380 nan 0.000 0.444 84 D N -0.077 120.352 120.400 0.048 0.000 2.192 84 D HA 0.290 4.930 4.640 -0.000 0.000 0.246 84 D C -0.394 175.954 176.300 0.081 0.000 1.042 84 D CA -0.143 53.904 54.000 0.079 0.000 0.847 84 D CB 2.248 43.101 40.800 0.088 0.000 1.186 84 D HN -0.038 nan 8.370 nan 0.000 0.461 88 F N 5.958 125.641 119.950 -0.446 0.000 2.493 88 F HA 0.614 5.141 4.527 -0.000 0.000 0.329 88 F C -1.165 174.144 175.800 -0.818 0.000 1.126 88 F CA -0.477 57.240 58.000 -0.472 0.000 0.937 88 F CB 1.193 40.293 39.000 0.165 0.000 1.146 88 F HN 0.570 nan 8.300 nan 0.000 0.442 89 D N 3.917 123.368 120.400 -1.582 0.000 2.248 89 D HA 0.692 5.332 4.640 -0.000 0.000 0.246 89 D C -0.484 175.049 176.300 -1.278 0.000 1.027 89 D CA -0.284 53.015 54.000 -1.168 0.000 0.853 89 D CB 1.995 42.432 40.800 -0.604 0.000 1.243 89 D HN 0.698 nan 8.370 nan 0.000 0.462 90 A N 2.440 124.769 122.820 -0.819 0.000 2.622 90 A HA 0.639 4.959 4.320 -0.000 0.000 0.283 90 A C 0.659 178.109 177.584 -0.224 0.000 0.998 90 A CA 0.353 52.095 52.037 -0.491 0.000 0.985 90 A CB -0.056 18.736 19.000 -0.346 0.000 1.236 90 A HN 0.564 nan 8.150 nan 0.000 0.559 91 A N 0.590 123.289 122.820 -0.202 0.000 3.656 91 A HA 0.550 4.870 4.320 -0.000 0.000 0.151 91 A C 1.205 178.718 177.584 -0.118 0.000 1.657 91 A CA 0.859 52.828 52.037 -0.114 0.000 1.148 91 A CB -1.172 17.783 19.000 -0.075 0.000 1.569 91 A HN 0.947 nan 8.150 nan 0.000 0.709 92 T N -2.702 111.783 114.554 -0.116 0.000 2.907 92 T HA 0.339 4.689 4.350 -0.000 0.000 0.298 92 T C 0.836 175.451 174.700 -0.141 0.000 1.017 92 T CA 0.433 62.442 62.100 -0.151 0.000 1.118 92 T CB 1.123 69.905 68.868 -0.144 0.000 0.948 92 T HN 0.672 nan 8.240 nan 0.000 0.531 93 T N 1.254 115.708 114.554 -0.166 0.000 2.857 93 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 93 T C 1.924 176.561 174.700 -0.105 0.000 1.048 93 T CA 1.301 63.324 62.100 -0.127 0.000 1.139 93 T CB -0.451 68.345 68.868 -0.120 0.000 0.874 93 T HN 0.745 nan 8.240 nan 0.000 0.455 94 Q N 0.505 120.230 119.800 -0.124 0.000 2.437 94 Q HA 0.152 4.492 4.340 -0.000 0.000 0.210 94 Q C 1.554 177.512 176.000 -0.072 0.000 0.972 94 Q CA 1.223 56.969 55.803 -0.095 0.000 0.903 94 Q CB -0.360 28.311 28.738 -0.111 0.000 0.967 94 Q HN 0.656 nan 8.270 nan 0.000 0.486 95 A N 0.221 122.998 122.820 -0.071 0.000 2.628 95 A HA 0.216 4.536 4.320 -0.000 0.000 0.267 95 A C 1.767 179.331 177.584 -0.033 0.000 1.159 95 A CA -0.201 51.806 52.037 -0.050 0.000 0.972 95 A CB 0.105 19.076 19.000 -0.049 0.000 1.211 95 A HN 0.157 nan 8.150 nan 0.000 0.576 96 R N 1.230 121.704 120.500 -0.042 0.000 2.066 96 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 96 R C -0.812 175.489 176.300 0.003 0.000 1.131 96 R CA 1.919 58.004 56.100 -0.026 0.000 0.955 96 R CB -0.745 29.513 30.300 -0.071 0.000 0.851 96 R HN 0.385 nan 8.270 nan 0.000 0.432 97 P HA -0.139 nan 4.420 nan 0.000 0.216 97 P C 1.220 178.518 177.300 -0.004 0.000 1.153 97 P CA 2.068 65.162 63.100 -0.011 0.000 0.858 97 P CB -0.394 31.292 31.700 -0.025 0.000 0.789 98 G N -0.332 108.460 108.800 -0.013 0.000 2.422 98 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.218 98 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.218 98 G C 1.578 176.464 174.900 -0.024 0.000 1.140 98 G CA 0.335 45.422 45.100 -0.022 0.000 0.775 98 G HN 0.168 nan 8.290 nan 0.000 0.545 99 L N 0.137 121.358 121.223 -0.003 0.000 2.093 99 L HA 0.135 4.475 4.340 -0.000 0.000 0.208 99 L C 2.810 179.693 176.870 0.021 0.000 1.085 99 L CA 0.868 55.700 54.840 -0.014 0.000 0.755 99 L CB -0.307 41.799 42.059 0.079 0.000 0.904 99 L HN 0.158 nan 8.230 nan 0.000 0.435 100 L N -1.521 119.783 121.223 0.135 0.000 2.056 100 L HA -0.203 4.137 4.340 -0.000 0.000 0.207 100 L C 2.423 179.335 176.870 0.070 0.000 1.078 100 L CA 1.432 56.381 54.840 0.182 0.000 0.749 100 L CB -0.977 41.155 42.059 0.122 0.000 0.901 100 L HN 0.265 nan 8.230 nan 0.000 0.433 101 T N -0.815 113.748 114.554 0.016 0.000 2.684 101 T HA -0.270 4.080 4.350 -0.000 0.000 0.267 101 T C 1.878 176.561 174.700 -0.029 0.000 1.036 101 T CA 1.459 63.553 62.100 -0.010 0.000 1.148 101 T CB -0.249 68.605 68.868 -0.023 0.000 0.863 101 T HN 0.379 nan 8.240 nan 0.000 0.436 102 Q N 0.636 120.400 119.800 -0.061 0.000 2.096 102 Q HA -0.059 4.281 4.340 -0.000 0.000 0.204 102 Q C 2.698 178.641 176.000 -0.095 0.000 0.982 102 Q CA 1.547 57.294 55.803 -0.093 0.000 0.850 102 Q CB -0.348 28.304 28.738 -0.143 0.000 0.901 102 Q HN 0.586 nan 8.270 nan 0.000 0.422 103 A N 0.529 123.287 122.820 -0.104 0.000 1.969 103 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 103 A C 1.986 179.583 177.584 0.022 0.000 1.169 103 A CA 0.980 52.987 52.037 -0.050 0.000 0.635 103 A CB -0.461 18.567 19.000 0.046 0.000 0.810 103 A HN 0.313 nan 8.150 nan 0.000 0.445 104 I N -0.193 120.398 120.570 0.036 0.000 2.353 104 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 104 I C 1.930 178.050 176.117 0.005 0.000 1.119 104 I CA 0.770 62.092 61.300 0.035 0.000 1.417 104 I CB -0.480 37.540 38.000 0.034 0.000 1.078 104 I HN 0.248 nan 8.210 nan 0.000 0.421 105 N N 1.501 120.193 118.700 -0.012 0.000 2.166 105 N HA -0.117 4.623 4.740 -0.000 0.000 0.186 105 N C 1.826 177.320 175.510 -0.026 0.000 1.019 105 N CA 1.659 54.697 53.050 -0.021 0.000 0.856 105 N CB -0.210 38.259 38.487 -0.030 0.000 0.993 105 N HN 0.350 nan 8.380 nan 0.000 0.426 106 A N -0.464 122.336 122.820 -0.033 0.000 2.123 106 A HA 0.364 4.684 4.320 -0.000 0.000 0.214 106 A C 1.501 179.064 177.584 -0.035 0.000 1.152 106 A CA 1.159 53.173 52.037 -0.037 0.000 0.728 106 A CB -0.165 18.804 19.000 -0.051 0.000 0.814 106 A HN 0.353 nan 8.150 nan 0.000 0.464 107 G N -0.950 107.832 108.800 -0.031 0.000 2.163 107 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.213 107 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.213 107 G C 0.058 174.895 174.900 -0.105 0.000 0.991 107 G CA 0.105 45.174 45.100 -0.051 0.000 0.653 107 G HN 0.419 nan 8.290 nan 0.000 0.518 108 K N 0.991 121.357 120.400 -0.055 0.000 2.154 108 K HA 0.380 4.700 4.320 -0.000 0.000 0.264 108 K C 0.286 176.886 176.600 0.001 0.000 1.008 108 K CA -0.590 55.666 56.287 -0.052 0.000 0.937 108 K CB 0.609 33.166 32.500 0.093 0.000 1.002 108 K HN 0.398 nan 8.250 nan 0.000 0.469 109 H N 0.238 119.431 119.070 0.205 0.000 2.615 109 H HA 0.180 4.736 4.556 -0.000 0.000 0.363 109 H C -0.223 175.332 175.328 0.377 0.000 1.148 109 H CA -0.300 55.917 56.048 0.282 0.000 1.401 109 H CB 0.897 30.809 29.762 0.250 0.000 1.461 109 H HN 0.075 nan 8.280 nan 0.000 0.588 110 V N 3.375 123.620 119.914 0.551 0.000 2.540 110 V HA 0.200 4.320 4.120 -0.000 0.000 0.302 110 V C -1.115 175.103 176.094 0.206 0.000 1.035 110 V CA -0.619 61.901 62.300 0.367 0.000 0.873 110 V CB 1.608 33.603 31.823 0.288 0.000 0.992 110 V HN 0.655 nan 8.190 nan 0.000 0.428 111 Y N 5.143 125.367 120.300 -0.127 0.000 2.492 111 Y HA 0.766 5.316 4.550 -0.000 0.000 0.346 111 Y C -0.295 175.507 175.900 -0.163 0.000 0.997 111 Y CA -0.827 57.031 58.100 -0.404 0.000 1.025 111 Y CB 1.948 39.925 38.460 -0.805 0.000 1.263 111 Y HN 0.954 nan 8.280 nan 0.000 0.454 112 C N 2.899 121.793 119.300 -0.678 0.000 3.292 112 C HA 0.543 5.003 4.460 -0.000 0.000 0.338 112 C C -1.115 173.608 174.990 -0.445 0.000 1.323 112 C CA -1.058 57.664 59.018 -0.494 0.000 1.232 112 C CB 1.454 28.943 27.740 -0.419 0.000 1.517 112 C HN 0.835 nan 8.230 nan 0.000 0.470 113 E N 1.027 121.043 120.200 -0.306 0.000 2.369 113 E HA 0.496 4.846 4.350 -0.000 0.000 0.255 113 E C 0.380 176.910 176.600 -0.116 0.000 1.172 113 E CA 0.095 56.423 56.400 -0.121 0.000 0.932 113 E CB 0.847 30.525 29.700 -0.037 0.000 1.040 113 E HN 0.979 nan 8.360 nan 0.000 0.454 114 K N 1.945 122.320 120.400 -0.043 0.000 2.298 114 K HA 0.360 4.680 4.320 -0.000 0.000 0.280 114 K C -2.340 174.235 176.600 -0.041 0.000 1.032 114 K CA -1.238 55.008 56.287 -0.068 0.000 0.958 114 K CB -0.451 31.982 32.500 -0.112 0.000 0.978 114 K HN 0.225 nan 8.250 nan 0.000 0.472 115 P HA 0.427 nan 4.420 nan 0.000 0.285 115 P C 0.778 178.039 177.300 -0.064 0.000 1.280 115 P CA -0.851 62.213 63.100 -0.060 0.000 0.862 115 P CB 0.723 32.402 31.700 -0.036 0.000 1.153 116 I N -2.306 118.232 120.570 -0.054 0.000 2.830 116 I HA 0.345 4.515 4.170 -0.000 0.000 0.263 116 I C 0.558 176.653 176.117 -0.037 0.000 1.230 116 I CA 0.636 61.904 61.300 -0.055 0.000 1.480 116 I CB -0.221 37.755 38.000 -0.040 0.000 1.095 116 I HN 0.207 nan 8.210 nan 0.000 0.455 117 A N 0.259 123.067 122.820 -0.020 0.000 2.586 117 A HA 0.541 4.861 4.320 -0.000 0.000 0.290 117 A C 0.446 178.030 177.584 0.001 0.000 1.086 117 A CA -0.078 51.951 52.037 -0.013 0.000 0.665 117 A CB 0.659 19.656 19.000 -0.005 0.000 1.279 117 A HN 0.088 nan 8.150 nan 0.000 0.423 118 T N 0.325 114.879 114.554 -0.001 0.000 3.054 118 T HA 0.112 4.462 4.350 -0.000 0.000 0.259 118 T C 0.754 175.478 174.700 0.040 0.000 1.092 118 T CA 0.833 62.941 62.100 0.012 0.000 1.121 118 T CB -0.180 68.685 68.868 -0.004 0.000 0.912 118 T HN 0.511 nan 8.240 nan 0.000 0.489 119 N N -0.059 118.666 118.700 0.042 0.000 2.370 119 N HA 0.299 5.039 4.740 -0.000 0.000 0.303 119 N C -0.253 175.328 175.510 0.119 0.000 1.103 119 N CA -0.385 52.708 53.050 0.071 0.000 0.848 119 N CB 1.569 40.074 38.487 0.031 0.000 1.235 119 N HN -0.024 nan 8.380 nan 0.000 0.496 120 F N 2.736 122.689 119.950 0.005 0.000 2.259 120 F HA 0.032 4.559 4.527 0.000 0.000 0.298 120 F C 1.935 177.738 175.800 0.005 0.000 1.088 120 F CA 1.333 59.338 58.000 0.008 0.000 1.358 120 F CB 0.215 39.225 39.000 0.018 0.000 1.040 120 F HN 0.537 nan 8.300 nan 0.000 0.505 121 E N 0.517 120.608 120.200 -0.181 0.000 2.028 121 E HA -0.274 4.076 4.350 -0.000 0.000 0.191 121 E C 2.084 178.566 176.600 -0.196 0.000 0.988 121 E CA 1.482 57.724 56.400 -0.263 0.000 0.799 121 E CB -0.902 28.731 29.700 -0.112 0.000 0.755 121 E HN 0.658 nan 8.360 nan 0.000 0.447 122 E N 1.083 121.223 120.200 -0.101 0.000 2.153 122 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 122 E C 1.948 178.504 176.600 -0.074 0.000 0.988 122 E CA 0.993 57.351 56.400 -0.071 0.000 0.811 122 E CB 0.005 29.683 29.700 -0.037 0.000 0.746 122 E HN 0.187 nan 8.360 nan 0.000 0.466 123 A N 0.813 123.589 122.820 -0.072 0.000 1.897 123 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 123 A C 2.072 179.590 177.584 -0.110 0.000 1.181 123 A CA 0.845 52.851 52.037 -0.051 0.000 0.620 123 A CB -0.482 18.542 19.000 0.040 0.000 0.821 123 A HN 0.362 nan 8.150 nan 0.000 0.443 124 L N 0.171 121.245 121.223 -0.248 0.000 2.141 124 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 124 L C 2.123 178.892 176.870 -0.168 0.000 1.094 124 L CA 1.967 56.640 54.840 -0.278 0.000 0.763 124 L CB -0.586 41.152 42.059 -0.535 0.000 0.908 124 L HN 0.511 nan 8.230 nan 0.000 0.437 125 E N -1.228 118.884 120.200 -0.145 0.000 2.031 125 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 125 E C 2.121 178.671 176.600 -0.083 0.000 0.994 125 E CA 1.771 58.111 56.400 -0.099 0.000 0.800 125 E CB -0.147 29.503 29.700 -0.083 0.000 0.752 125 E HN 0.366 nan 8.360 nan 0.000 0.447 126 V N 0.729 120.595 119.914 -0.080 0.000 2.332 126 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 126 V C 2.305 178.329 176.094 -0.117 0.000 1.055 126 V CA 1.339 63.593 62.300 -0.076 0.000 1.038 126 V CB -0.537 31.251 31.823 -0.057 0.000 0.651 126 V HN 0.130 nan 8.190 nan 0.000 0.450 127 V N -0.412 119.430 119.914 -0.119 0.000 2.270 127 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 127 V C 2.486 178.505 176.094 -0.125 0.000 1.043 127 V CA 2.050 64.258 62.300 -0.155 0.000 1.014 127 V CB -0.652 31.135 31.823 -0.061 0.000 0.645 127 V HN 0.474 nan 8.190 nan 0.000 0.447 128 K N -0.514 119.840 120.400 -0.076 0.000 2.147 128 K HA -0.186 4.134 4.320 -0.000 0.000 0.205 128 K C 2.096 178.670 176.600 -0.043 0.000 1.049 128 K CA 1.407 57.667 56.287 -0.046 0.000 0.936 128 K CB -0.325 32.150 32.500 -0.042 0.000 0.722 128 K HN 0.303 nan 8.250 nan 0.000 0.446 129 L N 0.725 121.913 121.223 -0.058 0.000 2.093 129 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 129 L C 2.135 178.979 176.870 -0.044 0.000 1.085 129 L CA 1.652 56.466 54.840 -0.044 0.000 0.755 129 L CB -0.445 41.588 42.059 -0.043 0.000 0.904 129 L HN 0.067 nan 8.230 nan 0.000 0.435 130 A N -0.156 122.602 122.820 -0.103 0.000 1.902 130 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 130 A C 2.057 179.648 177.584 0.012 0.000 1.181 130 A CA 1.915 53.878 52.037 -0.122 0.000 0.623 130 A CB -0.768 17.929 19.000 -0.505 0.000 0.818 130 A HN 0.641 nan 8.150 nan 0.000 0.443 131 N N 0.019 118.733 118.700 0.024 0.000 2.270 131 N HA -0.119 4.621 4.740 -0.000 0.000 0.181 131 N C 2.037 177.589 175.510 0.071 0.000 1.016 131 N CA 1.415 54.532 53.050 0.112 0.000 0.870 131 N CB -0.455 38.103 38.487 0.118 0.000 0.979 131 N HN 0.554 nan 8.380 nan 0.000 0.431 132 S N 1.370 117.092 115.700 0.036 0.000 2.370 132 S HA -0.090 4.380 4.470 -0.000 0.000 0.226 132 S C 1.552 176.169 174.600 0.030 0.000 1.033 132 S CA 1.003 59.219 58.200 0.025 0.000 1.011 132 S CB 0.027 63.232 63.200 0.008 0.000 0.852 132 S HN 0.111 nan 8.310 nan 0.000 0.457 133 K N 0.323 120.743 120.400 0.034 0.000 2.444 133 K HA 0.177 4.497 4.320 -0.000 0.000 0.193 133 K C 1.468 178.100 176.600 0.053 0.000 1.024 133 K CA 0.665 56.972 56.287 0.034 0.000 1.077 133 K CB -0.351 32.165 32.500 0.027 0.000 0.833 133 K HN 0.621 nan 8.250 nan 0.000 0.517 134 G N 1.855 110.701 108.800 0.076 0.000 2.168 134 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.263 134 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.263 134 G C 0.450 175.426 174.900 0.127 0.000 0.977 134 G CA 0.611 45.764 45.100 0.089 0.000 0.659 134 G HN 0.253 nan 8.290 nan 0.000 0.533 135 V N -2.858 117.156 119.914 0.168 0.000 3.003 135 V HA 0.701 4.821 4.120 -0.000 0.000 0.305 135 V C 0.485 176.794 176.094 0.358 0.000 1.078 135 V CA -1.180 61.275 62.300 0.257 0.000 1.083 135 V CB 1.319 33.280 31.823 0.230 0.000 1.039 135 V HN 0.143 nan 8.190 nan 0.000 0.481 136 K N 2.788 123.434 120.400 0.410 0.000 2.227 136 K HA 0.432 4.752 4.320 -0.000 0.000 0.280 136 K C -0.561 176.359 176.600 0.534 0.000 1.041 136 K CA -0.014 56.427 56.287 0.257 0.000 0.905 136 K CB 0.970 33.321 32.500 -0.248 0.000 1.068 136 K HN 1.211 nan 8.250 nan 0.000 0.470 137 H N -1.423 117.965 119.070 0.531 0.000 2.717 137 H HA 0.784 5.340 4.556 -0.000 0.000 0.366 137 H C -0.190 175.439 175.328 0.501 0.000 1.132 137 H CA -1.084 55.250 56.048 0.477 0.000 1.180 137 H CB 2.039 31.966 29.762 0.275 0.000 1.678 137 H HN 0.654 nan 8.280 nan 0.000 0.537 138 G N -0.034 108.930 108.800 0.273 0.000 2.660 138 G HA2 0.516 4.476 3.960 -0.000 0.000 0.290 138 G HA3 0.516 4.476 3.960 -0.000 0.000 0.290 138 G C -1.516 173.271 174.900 -0.188 0.000 1.432 138 G CA -0.590 44.611 45.100 0.170 0.000 0.807 138 G HN 0.796 nan 8.290 nan 0.000 0.485 139 T N -1.058 113.359 114.554 -0.230 0.000 2.932 139 T HA 0.469 4.819 4.350 -0.000 0.000 0.318 139 T C -0.669 173.764 174.700 -0.444 0.000 1.265 139 T CA -0.316 61.490 62.100 -0.491 0.000 1.036 139 T CB 1.641 70.357 68.868 -0.252 0.000 1.209 139 T HN 0.704 nan 8.240 nan 0.000 0.484 140 V N 5.014 124.626 119.914 -0.503 0.000 2.599 140 V HA 0.255 4.375 4.120 -0.000 0.000 0.300 140 V C 0.286 176.175 176.094 -0.341 0.000 1.034 140 V CA 0.547 62.675 62.300 -0.287 0.000 1.115 140 V CB 0.943 32.759 31.823 -0.011 0.000 0.934 140 V HN 0.807 nan 8.190 nan 0.000 0.485 141 Q N 3.388 122.895 119.800 -0.489 0.000 3.122 141 Q HA 0.174 4.514 4.340 -0.000 0.000 0.282 141 Q C 0.191 175.902 176.000 -0.482 0.000 0.947 141 Q CA -0.426 54.799 55.803 -0.963 0.000 0.812 141 Q CB 0.934 28.764 28.738 -1.513 0.000 1.333 141 Q HN 0.950 nan 8.270 nan 0.000 0.430 142 D N 0.842 121.151 120.400 -0.151 0.000 2.097 142 D HA -0.187 4.453 4.640 -0.000 0.000 0.197 142 D C 1.091 177.420 176.300 0.049 0.000 0.984 142 D CA 0.905 54.803 54.000 -0.170 0.000 0.826 142 D CB 0.301 40.899 40.800 -0.337 0.000 0.973 142 D HN 0.073 nan 8.370 nan 0.000 0.460 143 K N -0.015 120.523 120.400 0.230 0.000 2.228 143 K HA -0.082 4.238 4.320 -0.000 0.000 0.205 143 K C 1.914 178.590 176.600 0.127 0.000 1.045 143 K CA 0.289 56.691 56.287 0.192 0.000 0.931 143 K CB -0.427 32.178 32.500 0.175 0.000 0.727 143 K HN 0.081 nan 8.250 nan 0.000 0.458 144 L N -0.778 120.512 121.223 0.111 0.000 2.395 144 L HA 0.046 4.386 4.340 -0.000 0.000 0.218 144 L C 0.800 177.440 176.870 -0.383 0.000 1.130 144 L CA 1.355 56.095 54.840 -0.166 0.000 0.826 144 L CB -0.155 41.716 42.059 -0.314 0.000 0.941 144 L HN 0.100 nan 8.230 nan 0.000 0.451 145 F N -1.518 118.380 119.950 -0.086 0.000 2.664 145 F HA 0.195 4.722 4.527 -0.000 0.000 0.303 145 F C 0.842 176.606 175.800 -0.060 0.000 1.092 145 F CA -0.520 57.435 58.000 -0.075 0.000 1.305 145 F CB -0.136 38.783 39.000 -0.135 0.000 1.054 145 F HN -0.237 nan 8.300 nan 0.000 0.565 146 L N 2.402 123.661 121.223 0.060 0.000 2.455 146 L HA 0.035 4.375 4.340 -0.000 0.000 0.272 146 L C -1.228 175.588 176.870 -0.089 0.000 1.174 146 L CA -1.354 53.493 54.840 0.012 0.000 0.869 146 L CB 0.443 42.526 42.059 0.040 0.000 1.130 146 L HN -0.114 nan 8.230 nan 0.000 0.474 147 P HA -0.138 nan 4.420 nan 0.000 0.219 147 P C 1.399 178.494 177.300 -0.342 0.000 1.146 147 P CA 1.133 63.875 63.100 -0.597 0.000 0.808 147 P CB 0.244 31.468 31.700 -0.793 0.000 0.779 148 G N -0.270 108.444 108.800 -0.144 0.000 2.404 148 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.215 148 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.215 148 G C 1.420 176.319 174.900 -0.002 0.000 1.174 148 G CA 0.383 45.462 45.100 -0.034 0.000 0.780 148 G HN 0.230 nan 8.290 nan 0.000 0.537 149 L N -0.252 120.957 121.223 -0.023 0.000 2.313 149 L HA 0.071 4.411 4.340 -0.000 0.000 0.214 149 L C 2.849 179.691 176.870 -0.046 0.000 1.119 149 L CA 0.637 55.446 54.840 -0.051 0.000 0.809 149 L CB -0.231 41.769 42.059 -0.099 0.000 0.933 149 L HN 0.200 nan 8.230 nan 0.000 0.449 150 K N 0.482 120.859 120.400 -0.038 0.000 2.097 150 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 150 K C 2.072 178.742 176.600 0.117 0.000 1.050 150 K CA 1.156 57.460 56.287 0.030 0.000 0.938 150 K CB 0.086 32.631 32.500 0.075 0.000 0.718 150 K HN 0.237 nan 8.250 nan 0.000 0.442 151 K N 0.507 120.963 120.400 0.094 0.000 2.097 151 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 151 K C 1.977 178.718 176.600 0.235 0.000 1.050 151 K CA 0.789 57.191 56.287 0.191 0.000 0.938 151 K CB 0.017 32.586 32.500 0.114 0.000 0.718 151 K HN 0.023 nan 8.250 nan 0.000 0.442 152 I N 1.345 122.021 120.570 0.176 0.000 2.163 152 I HA -0.243 3.927 4.170 -0.000 0.000 0.243 152 I C 2.422 178.669 176.117 0.217 0.000 1.085 152 I CA 1.376 62.820 61.300 0.239 0.000 1.347 152 I CB -1.388 36.719 38.000 0.178 0.000 1.044 152 I HN 0.108 nan 8.210 nan 0.000 0.408 153 A N 0.403 123.290 122.820 0.112 0.000 1.933 153 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 153 A C 2.290 179.964 177.584 0.150 0.000 1.175 153 A CA 1.524 53.608 52.037 0.078 0.000 0.628 153 A CB -1.027 17.988 19.000 0.025 0.000 0.814 153 A HN 0.416 nan 8.150 nan 0.000 0.444 154 F N 0.749 120.738 119.950 0.066 0.000 2.113 154 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 154 F C 1.813 177.647 175.800 0.058 0.000 1.103 154 F CA 1.489 59.524 58.000 0.059 0.000 1.248 154 F CB -0.448 38.584 39.000 0.055 0.000 0.999 154 F HN 0.132 nan 8.300 nan 0.000 0.475 155 L N 0.431 121.503 121.223 -0.252 0.000 2.013 155 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 155 L C 2.808 179.603 176.870 -0.126 0.000 1.073 155 L CA 2.037 56.642 54.840 -0.391 0.000 0.753 155 L CB -0.894 40.958 42.059 -0.346 0.000 0.890 155 L HN 0.189 nan 8.230 nan 0.000 0.432 156 R N 0.309 120.950 120.500 0.235 0.000 2.070 156 R HA -0.197 4.143 4.340 -0.000 0.000 0.233 156 R C 1.968 178.324 176.300 0.093 0.000 1.137 156 R CA 2.096 58.385 56.100 0.314 0.000 0.945 156 R CB -0.293 30.150 30.300 0.237 0.000 0.845 156 R HN 0.277 nan 8.270 nan 0.000 0.430 157 D N 0.234 120.645 120.400 0.018 0.000 2.133 157 D HA -0.139 4.501 4.640 -0.000 0.000 0.195 157 D C 1.813 178.084 176.300 -0.049 0.000 0.997 157 D CA 1.997 55.997 54.000 -0.000 0.000 0.840 157 D CB -0.155 40.669 40.800 0.041 0.000 0.947 157 D HN 0.434 nan 8.370 nan 0.000 0.452 158 S N -1.332 114.259 115.700 -0.182 0.000 2.593 158 S HA 0.288 4.758 4.470 -0.000 0.000 0.217 158 S C 1.627 176.166 174.600 -0.101 0.000 0.966 158 S CA 0.639 58.724 58.200 -0.190 0.000 0.914 158 S CB 0.592 63.523 63.200 -0.449 0.000 0.776 158 S HN 0.321 nan 8.310 nan 0.000 0.523 159 G N 0.874 109.641 108.800 -0.054 0.000 2.141 159 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.242 159 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.242 159 G C 0.261 175.145 174.900 -0.026 0.000 0.982 159 G CA 0.185 45.276 45.100 -0.015 0.000 0.662 159 G HN 0.549 nan 8.290 nan 0.000 0.527 160 F N 0.733 120.537 119.950 -0.243 0.000 2.120 160 F HA 0.035 4.562 4.527 -0.000 0.000 0.300 160 F C 2.203 177.856 175.800 -0.246 0.000 1.095 160 F CA 2.483 60.290 58.000 -0.321 0.000 1.249 160 F CB -0.258 38.396 39.000 -0.577 0.000 0.995 160 F HN 0.167 nan 8.300 nan 0.000 0.480 161 F N 0.477 120.442 119.950 0.025 0.000 2.325 161 F HA 0.177 4.704 4.527 -0.000 0.000 0.299 161 F C 2.153 177.830 175.800 -0.205 0.000 1.090 161 F CA 0.901 58.870 58.000 -0.052 0.000 1.392 161 F CB -1.152 37.894 39.000 0.076 0.000 1.053 161 F HN 0.262 nan 8.300 nan 0.000 0.521 162 G N 0.205 108.880 108.800 -0.208 0.000 2.574 162 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.301 162 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.301 162 G C 0.377 175.148 174.900 -0.215 0.000 1.166 162 G CA 0.193 44.922 45.100 -0.618 0.000 0.971 162 G HN 0.387 nan 8.290 nan 0.000 0.542 163 R N 0.769 121.167 120.500 -0.171 0.000 2.202 163 R HA 0.545 4.885 4.340 -0.000 0.000 0.334 163 R C 0.751 177.038 176.300 -0.020 0.000 1.036 163 R CA -0.621 55.441 56.100 -0.064 0.000 0.878 163 R CB -0.019 30.248 30.300 -0.054 0.000 1.067 163 R HN 0.432 nan 8.270 nan 0.000 0.457 164 I N 6.248 126.805 120.570 -0.022 0.000 2.710 164 I HA -0.147 4.023 4.170 -0.000 0.000 0.286 164 I C 1.019 177.087 176.117 -0.080 0.000 1.181 164 I CA 0.444 61.686 61.300 -0.096 0.000 1.430 164 I CB 0.791 38.699 38.000 -0.154 0.000 1.367 164 I HN 0.744 nan 8.210 nan 0.000 0.577 165 L N 4.612 125.780 121.223 -0.092 0.000 2.519 165 L HA 0.160 4.500 4.340 -0.000 0.000 0.194 165 L C 0.564 177.379 176.870 -0.091 0.000 1.072 165 L CA 0.345 55.146 54.840 -0.065 0.000 0.845 165 L CB 0.057 42.099 42.059 -0.030 0.000 1.138 165 L HN 0.740 nan 8.230 nan 0.000 0.487 166 S N -1.139 114.486 115.700 -0.126 0.000 2.607 166 S HA 0.738 5.208 4.470 -0.000 0.000 0.273 166 S C -0.969 173.498 174.600 -0.221 0.000 1.148 166 S CA -0.705 57.416 58.200 -0.132 0.000 0.833 166 S CB 2.625 65.788 63.200 -0.061 0.000 1.130 166 S HN -0.170 nan 8.310 nan 0.000 0.470 167 V N 1.224 121.005 119.914 -0.222 0.000 2.569 167 V HA 0.552 4.672 4.120 -0.000 0.000 0.301 167 V C -0.753 175.269 176.094 -0.121 0.000 1.044 167 V CA -0.673 61.457 62.300 -0.282 0.000 0.874 167 V CB 1.679 33.155 31.823 -0.579 0.000 1.002 167 V HN 0.900 nan 8.190 nan 0.000 0.424 168 R N 2.614 123.065 120.500 -0.082 0.000 2.265 168 R HA 0.682 5.022 4.340 -0.000 0.000 0.328 168 R C 0.305 176.482 176.300 -0.205 0.000 0.969 168 R CA -0.213 55.842 56.100 -0.075 0.000 0.832 168 R CB 1.921 32.199 30.300 -0.036 0.000 1.139 168 R HN 0.905 nan 8.270 nan 0.000 0.457 169 G N 1.771 110.352 108.800 -0.365 0.000 2.372 169 G HA2 0.343 4.303 3.960 -0.000 0.000 0.323 169 G HA3 0.343 4.303 3.960 -0.000 0.000 0.323 169 G C -0.710 173.854 174.900 -0.560 0.000 1.152 169 G CA -0.302 44.318 45.100 -0.801 0.000 0.906 169 G HN 0.364 nan 8.290 nan 0.000 0.460 170 E N 1.644 121.538 120.200 -0.509 0.000 2.235 170 E HA 0.282 4.632 4.350 -0.000 0.000 0.252 170 E C -1.698 174.798 176.600 -0.173 0.000 0.886 170 E CA -0.530 55.715 56.400 -0.259 0.000 0.767 170 E CB 2.108 31.713 29.700 -0.158 0.000 1.205 170 E HN 0.399 nan 8.360 nan 0.000 0.421 171 F N 1.732 121.518 119.950 -0.273 0.000 2.522 171 F HA 0.723 5.250 4.527 0.000 0.000 0.324 171 F C 0.451 176.128 175.800 -0.205 0.000 1.077 171 F CA 0.368 58.273 58.000 -0.159 0.000 0.944 171 F CB 1.584 40.587 39.000 0.005 0.000 1.175 171 F HN 0.548 nan 8.300 nan 0.000 0.468 172 G N 2.915 111.012 108.800 -1.171 0.000 2.434 172 G HA2 0.250 4.210 3.960 -0.000 0.000 0.671 172 G HA3 0.250 4.210 3.960 -0.000 0.000 0.671 172 G C -2.085 172.589 174.900 -0.377 0.000 1.280 172 G CA -0.381 44.038 45.100 -1.135 0.000 0.975 172 G HN 1.733 nan 8.290 nan 0.000 0.510 173 Y N -4.357 115.828 120.300 -0.191 0.000 2.741 173 Y HA 0.663 5.213 4.550 -0.000 0.000 0.339 173 Y C -0.812 175.118 175.900 0.049 0.000 1.226 173 Y CA -2.136 55.947 58.100 -0.029 0.000 1.072 173 Y CB 0.696 39.145 38.460 -0.019 0.000 1.331 173 Y HN 1.038 nan 8.280 nan 0.000 0.453 174 W N 3.869 125.243 121.300 0.123 0.000 2.605 174 W HA 0.500 5.160 4.660 0.000 0.000 0.327 174 W C -1.193 175.244 176.519 -0.136 0.000 1.332 174 W CA -0.397 56.905 57.345 -0.072 0.000 1.403 174 W CB 1.000 30.336 29.460 -0.207 0.000 1.452 174 W HN 0.450 nan 8.180 nan 0.000 0.503 175 V N 8.891 128.595 119.914 -0.350 0.000 2.405 175 V HA -0.024 4.096 4.120 -0.000 0.000 0.264 175 V C 0.417 176.346 176.094 -0.276 0.000 1.048 175 V CA -0.435 61.734 62.300 -0.219 0.000 0.966 175 V CB -0.405 31.286 31.823 -0.220 0.000 1.015 175 V HN 0.176 nan 8.190 nan 0.000 0.477 176 F N 3.335 123.407 119.950 0.203 0.000 2.602 176 F HA 0.069 4.596 4.527 -0.000 0.000 0.367 176 F C 1.467 177.312 175.800 0.074 0.000 1.126 176 F CA -0.021 58.148 58.000 0.282 0.000 1.321 176 F CB 0.302 39.446 39.000 0.239 0.000 1.094 176 F HN 0.549 nan 8.300 nan 0.000 0.594 177 E N 1.030 121.431 120.200 0.335 0.000 2.478 177 E HA 0.133 4.483 4.350 -0.000 0.000 0.198 177 E C 1.890 178.583 176.600 0.156 0.000 1.046 177 E CA 0.858 57.336 56.400 0.129 0.000 0.870 177 E CB -0.102 29.697 29.700 0.165 0.000 0.818 177 E HN 0.940 nan 8.360 nan 0.000 0.527 178 G N -0.402 108.472 108.800 0.123 0.000 2.308 178 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.221 178 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.221 178 G C 1.254 175.884 174.900 -0.450 0.000 1.032 178 G CA 0.154 45.257 45.100 0.005 0.000 0.623 178 G HN 0.483 nan 8.290 nan 0.000 0.506 179 G N 0.278 108.629 108.800 -0.748 0.000 2.721 179 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.218 179 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.218 179 G C 1.388 175.649 174.900 -1.065 0.000 1.265 179 G CA 1.757 45.987 45.100 -1.449 0.000 0.796 179 G HN 0.754 nan 8.290 nan 0.000 0.620 180 W N 0.330 121.462 121.300 -0.279 0.000 2.996 180 W HA 0.413 5.073 4.660 0.000 0.000 0.270 180 W C 1.144 177.518 176.519 -0.242 0.000 1.280 180 W CA -0.360 56.847 57.345 -0.230 0.000 1.549 180 W CB 0.539 29.893 29.460 -0.177 0.000 1.079 180 W HN 0.119 nan 8.180 nan 0.000 0.629 181 Q N 1.008 120.743 119.800 -0.108 0.000 2.372 181 Q HA 0.168 4.508 4.340 -0.000 0.000 0.273 181 Q C -0.747 175.202 176.000 -0.086 0.000 1.078 181 Q CA -0.839 54.840 55.803 -0.207 0.000 0.806 181 Q CB 2.654 31.001 28.738 -0.651 0.000 1.332 181 Q HN 0.034 nan 8.270 nan 0.000 0.435 182 E N 1.437 121.615 120.200 -0.038 0.000 2.415 182 E HA 0.253 4.603 4.350 -0.000 0.000 0.263 182 E C -0.747 175.932 176.600 0.130 0.000 0.995 182 E CA -0.212 56.211 56.400 0.039 0.000 0.915 182 E CB 0.726 30.448 29.700 0.036 0.000 0.951 182 E HN 0.626 nan 8.360 nan 0.000 0.449 183 A N 4.171 127.075 122.820 0.139 0.000 2.462 183 A HA 0.001 4.321 4.320 -0.000 0.000 0.243 183 A C 0.585 178.257 177.584 0.145 0.000 1.076 183 A CA -0.113 52.021 52.037 0.162 0.000 0.773 183 A CB 0.523 19.577 19.000 0.089 0.000 1.010 183 A HN 0.866 nan 8.150 nan 0.000 0.493 184 Q N 0.430 120.329 119.800 0.165 0.000 2.245 184 Q HA 0.018 4.358 4.340 -0.000 0.000 0.201 184 Q C 0.383 176.420 176.000 0.062 0.000 0.955 184 Q CA 1.102 56.987 55.803 0.135 0.000 0.870 184 Q CB 0.111 28.963 28.738 0.191 0.000 0.945 184 Q HN 0.715 nan 8.270 nan 0.000 0.461 185 R N 0.347 120.850 120.500 0.005 0.000 2.778 185 R HA 0.459 4.799 4.340 -0.000 0.000 0.277 185 R C -2.627 173.644 176.300 -0.047 0.000 0.977 185 R CA -2.219 53.822 56.100 -0.097 0.000 0.950 185 R CB 0.875 30.980 30.300 -0.325 0.000 1.165 185 R HN -0.129 nan 8.270 nan 0.000 0.474 186 P HA 0.012 nan 4.420 nan 0.000 0.275 186 P C 0.436 177.645 177.300 -0.152 0.000 1.227 186 P CA -0.150 62.897 63.100 -0.089 0.000 0.781 186 P CB 1.036 32.714 31.700 -0.036 0.000 0.906 187 S N 2.854 118.576 115.700 0.036 0.000 2.402 187 S HA -0.194 4.276 4.470 -0.000 0.000 0.233 187 S C 1.733 176.346 174.600 0.021 0.000 1.030 187 S CA 0.771 59.042 58.200 0.118 0.000 1.003 187 S CB -1.353 61.824 63.200 -0.038 0.000 0.813 187 S HN 0.731 nan 8.310 nan 0.000 0.477 188 W N 2.650 123.924 121.300 -0.045 0.000 2.364 188 W HA -0.075 4.586 4.660 0.000 0.000 0.281 188 W C 1.079 177.529 176.519 -0.114 0.000 1.219 188 W CA 0.704 58.000 57.345 -0.082 0.000 1.220 188 W CB -1.175 28.239 29.460 -0.077 0.000 1.127 188 W HN 0.241 nan 8.180 nan 0.000 0.556 189 N N 0.831 118.892 118.700 -1.064 0.000 2.430 189 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 189 N C 0.711 175.679 175.510 -0.904 0.000 1.032 189 N CA 1.542 53.817 53.050 -1.292 0.000 0.893 189 N CB -0.567 36.918 38.487 -1.670 0.000 0.957 189 N HN 0.383 nan 8.380 nan 0.000 0.442 190 Y N -0.198 120.046 120.300 -0.093 0.000 2.445 190 Y HA 0.304 4.854 4.550 0.000 0.000 0.247 190 Y C 0.445 176.429 175.900 0.141 0.000 1.129 190 Y CA -0.283 57.853 58.100 0.060 0.000 1.251 190 Y CB 0.528 39.060 38.460 0.121 0.000 1.176 190 Y HN -0.257 nan 8.280 nan 0.000 0.522 191 R N 1.017 121.634 120.500 0.195 0.000 2.255 191 R HA 0.106 4.446 4.340 -0.000 0.000 0.326 191 R C 0.142 176.530 176.300 0.145 0.000 0.986 191 R CA -0.214 55.986 56.100 0.167 0.000 0.847 191 R CB 1.116 31.474 30.300 0.096 0.000 1.111 191 R HN 0.050 nan 8.270 nan 0.000 0.452 192 D N 2.534 123.011 120.400 0.129 0.000 2.183 192 D HA -0.160 4.480 4.640 -0.000 0.000 0.203 192 D C 1.445 177.798 176.300 0.089 0.000 0.969 192 D CA 1.208 55.275 54.000 0.112 0.000 0.842 192 D CB 0.558 41.417 40.800 0.098 0.000 0.957 192 D HN 0.605 nan 8.370 nan 0.000 0.484 193 E N -0.013 120.232 120.200 0.074 0.000 2.268 193 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 193 E C 0.409 177.034 176.600 0.043 0.000 0.995 193 E CA 0.899 57.328 56.400 0.048 0.000 0.836 193 E CB -0.297 29.424 29.700 0.035 0.000 0.763 193 E HN 0.312 nan 8.360 nan 0.000 0.491 194 D N 0.002 120.449 120.400 0.079 0.000 2.368 194 D HA 0.221 4.861 4.640 -0.000 0.000 0.218 194 D C 0.933 177.294 176.300 0.101 0.000 1.112 194 D CA 0.705 54.748 54.000 0.071 0.000 0.834 194 D CB 0.717 41.596 40.800 0.132 0.000 0.953 194 D HN 0.362 nan 8.370 nan 0.000 0.505 195 G N 0.074 108.948 108.800 0.122 0.000 2.176 195 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.253 195 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.253 195 G C 0.848 175.927 174.900 0.298 0.000 0.979 195 G CA -0.078 45.109 45.100 0.145 0.000 0.641 195 G HN 0.602 nan 8.290 nan 0.000 0.530 196 G N -0.536 108.463 108.800 0.331 0.000 2.699 196 G HA2 0.702 4.662 3.960 -0.000 0.000 0.246 196 G HA3 0.702 4.662 3.960 -0.000 0.000 0.246 196 G C 0.682 175.638 174.900 0.093 0.000 1.219 196 G CA 0.888 46.097 45.100 0.181 0.000 0.866 196 G HN 1.983 nan 8.290 nan 0.000 0.572 197 G N -1.005 107.793 108.800 -0.004 0.000 2.521 197 G HA2 0.041 4.001 3.960 -0.000 0.000 0.589 197 G HA3 0.041 4.001 3.960 -0.000 0.000 0.589 197 G C 0.402 175.338 174.900 0.060 0.000 1.501 197 G CA -0.078 45.058 45.100 0.059 0.000 0.887 197 G HN 0.911 nan 8.290 nan 0.000 0.654 198 I N 1.589 122.199 120.570 0.067 0.000 2.584 198 I HA 0.084 4.254 4.170 -0.000 0.000 0.255 198 I C 2.423 178.510 176.117 -0.050 0.000 1.145 198 I CA 0.356 61.676 61.300 0.034 0.000 1.462 198 I CB -0.116 37.819 38.000 -0.109 0.000 1.102 198 I HN 0.642 nan 8.210 nan 0.000 0.433 199 I N 0.837 121.387 120.570 -0.033 0.000 2.142 199 I HA -0.301 3.869 4.170 -0.000 0.000 0.240 199 I C 2.393 178.510 176.117 -0.001 0.000 1.078 199 I CA 1.529 62.816 61.300 -0.021 0.000 1.343 199 I CB -0.403 37.607 38.000 0.016 0.000 1.046 199 I HN 0.315 nan 8.210 nan 0.000 0.405 200 L N -0.658 120.587 121.223 0.037 0.000 2.465 200 L HA 0.077 4.417 4.340 -0.000 0.000 0.224 200 L C 0.914 177.783 176.870 -0.003 0.000 1.145 200 L CA 1.205 56.064 54.840 0.031 0.000 0.834 200 L CB -0.702 41.396 42.059 0.066 0.000 0.944 200 L HN 0.111 nan 8.230 nan 0.000 0.451 204 C N 0.845 120.030 119.300 -0.193 0.000 2.429 204 C HA -0.150 4.310 4.460 -0.000 0.000 0.277 204 C C 2.599 177.422 174.990 -0.279 0.000 1.262 204 C CA 1.957 60.863 59.018 -0.187 0.000 1.733 204 C CB -0.995 26.626 27.740 -0.199 0.000 2.010 204 C HN 0.685 nan 8.230 nan 0.000 0.483 205 H N -1.501 117.302 119.070 -0.445 0.000 2.357 205 H HA -0.120 4.436 4.556 0.000 0.000 0.301 205 H C 2.261 177.106 175.328 -0.805 0.000 1.082 205 H CA 2.081 57.701 56.048 -0.715 0.000 1.342 205 H CB -0.740 28.478 29.762 -0.906 0.000 1.389 205 H HN 0.741 nan 8.280 nan 0.000 0.511 206 W N 1.242 122.361 121.300 -0.302 0.000 2.392 206 W HA -0.172 4.488 4.660 0.000 0.000 0.279 206 W C 2.798 179.093 176.519 -0.373 0.000 1.225 206 W CA 0.295 57.434 57.345 -0.342 0.000 1.233 206 W CB -0.051 29.237 29.460 -0.286 0.000 1.122 206 W HN 0.084 nan 8.180 nan 0.000 0.561 207 R N 1.379 121.843 120.500 -0.061 0.000 2.080 207 R HA -0.260 4.080 4.340 -0.000 0.000 0.236 207 R C 2.206 178.497 176.300 -0.014 0.000 1.137 207 R CA 2.509 58.593 56.100 -0.027 0.000 0.943 207 R CB -1.476 28.844 30.300 0.033 0.000 0.846 207 R HN 0.452 nan 8.270 nan 0.000 0.431 208 Y N -1.393 118.914 120.300 0.011 0.000 2.314 208 Y HA 0.067 4.617 4.550 0.000 0.000 0.293 208 Y C 1.844 177.722 175.900 -0.037 0.000 1.129 208 Y CA 0.688 58.785 58.100 -0.004 0.000 1.201 208 Y CB -0.936 37.520 38.460 -0.007 0.000 0.999 208 Y HN -0.122 nan 8.280 nan 0.000 0.541 209 V N 1.295 121.026 119.914 -0.305 0.000 2.343 209 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 209 V C 2.409 178.370 176.094 -0.222 0.000 1.051 209 V CA 2.052 64.217 62.300 -0.225 0.000 1.036 209 V CB -0.605 31.094 31.823 -0.207 0.000 0.654 209 V HN 0.507 nan 8.190 nan 0.000 0.451 210 L N -0.842 120.304 121.223 -0.128 0.000 2.162 210 L HA -0.035 4.305 4.340 -0.000 0.000 0.205 210 L C 2.266 179.109 176.870 -0.046 0.000 1.086 210 L CA 0.948 55.771 54.840 -0.029 0.000 0.778 210 L CB -0.639 41.376 42.059 -0.074 0.000 0.928 210 L HN 0.248 nan 8.230 nan 0.000 0.446 211 D N 0.407 120.784 120.400 -0.038 0.000 2.104 211 D HA -0.172 4.468 4.640 -0.000 0.000 0.194 211 D C 1.897 178.163 176.300 -0.058 0.000 0.994 211 D CA 1.213 55.205 54.000 -0.013 0.000 0.830 211 D CB -0.151 40.666 40.800 0.028 0.000 0.959 211 D HN 0.250 nan 8.370 nan 0.000 0.452 212 N N -0.276 118.372 118.700 -0.086 0.000 2.416 212 N HA 0.040 4.780 4.740 -0.000 0.000 0.177 212 N C 1.707 177.064 175.510 -0.255 0.000 1.036 212 N CA 0.234 53.215 53.050 -0.113 0.000 0.901 212 N CB 0.624 39.094 38.487 -0.028 0.000 0.976 212 N HN 0.247 nan 8.380 nan 0.000 0.444 213 L N -1.439 119.484 121.223 -0.499 0.000 2.425 213 L HA 0.197 4.537 4.340 -0.000 0.000 0.215 213 L C 0.875 177.227 176.870 -0.863 0.000 1.065 213 L CA 0.485 54.778 54.840 -0.912 0.000 0.842 213 L CB 0.109 41.182 42.059 -1.644 0.000 1.033 213 L HN -0.040 nan 8.230 nan 0.000 0.474 214 F N -0.724 119.167 119.950 -0.098 0.000 2.729 214 F HA 0.546 5.073 4.527 0.000 0.000 0.304 214 F C 0.934 176.694 175.800 -0.067 0.000 1.008 214 F CA -0.160 57.779 58.000 -0.101 0.000 1.188 214 F CB 0.293 39.217 39.000 -0.127 0.000 0.980 214 F HN -0.078 nan 8.300 nan 0.000 0.627 215 G N 0.349 109.203 108.800 0.088 0.000 2.352 215 G HA2 0.073 4.033 3.960 -0.000 0.000 0.303 215 G HA3 0.073 4.033 3.960 -0.000 0.000 0.303 215 G C -1.516 173.412 174.900 0.047 0.000 1.593 215 G CA -1.291 43.841 45.100 0.054 0.000 0.963 215 G HN 0.083 nan 8.290 nan 0.000 0.685 216 N N -0.724 117.996 118.700 0.035 0.000 2.412 216 N HA 0.277 5.017 4.740 -0.000 0.000 0.254 216 N C 0.514 176.060 175.510 0.061 0.000 1.232 216 N CA -0.151 52.922 53.050 0.040 0.000 0.880 216 N CB 1.289 39.797 38.487 0.034 0.000 1.076 216 N HN 0.380 nan 8.380 nan 0.000 0.458 217 V N 2.601 122.558 119.914 0.071 0.000 2.470 217 V HA -0.034 4.086 4.120 -0.000 0.000 0.276 217 V C 1.027 177.195 176.094 0.123 0.000 1.040 217 V CA 0.435 62.807 62.300 0.119 0.000 1.008 217 V CB 0.893 32.800 31.823 0.141 0.000 0.990 217 V HN 0.793 nan 8.190 nan 0.000 0.477 218 Q N 2.622 122.504 119.800 0.136 0.000 2.394 218 Q HA 0.180 4.520 4.340 -0.000 0.000 0.218 218 Q C 0.589 176.664 176.000 0.125 0.000 0.907 218 Q CA 0.656 56.520 55.803 0.101 0.000 0.919 218 Q CB 1.106 29.882 28.738 0.063 0.000 1.051 218 Q HN 0.880 nan 8.270 nan 0.000 0.538 219 S N -1.230 114.590 115.700 0.200 0.000 2.552 219 S HA 0.556 5.026 4.470 -0.000 0.000 0.272 219 S C -1.468 173.375 174.600 0.405 0.000 1.150 219 S CA -0.858 57.501 58.200 0.265 0.000 0.849 219 S CB 2.039 65.373 63.200 0.223 0.000 1.113 219 S HN -0.026 nan 8.310 nan 0.000 0.458 220 V N 1.572 121.668 119.914 0.303 0.000 2.876 220 V HA 0.922 5.042 4.120 -0.000 0.000 0.312 220 V C -1.338 174.581 176.094 -0.291 0.000 1.085 220 V CA -0.520 61.747 62.300 -0.055 0.000 0.945 220 V CB 1.877 33.601 31.823 -0.166 0.000 1.017 220 V HN 1.201 nan 8.190 nan 0.000 0.428 221 V N 6.380 125.747 119.914 -0.911 0.000 2.525 221 V HA 0.758 4.878 4.120 -0.000 0.000 0.299 221 V C -0.748 174.936 176.094 -0.682 0.000 1.034 221 V CA -0.167 61.539 62.300 -0.989 0.000 0.863 221 V CB 1.409 32.077 31.823 -1.925 0.000 0.999 221 V HN 1.210 nan 8.190 nan 0.000 0.423 222 C N 7.013 126.067 119.300 -0.410 0.000 2.994 222 C HA 0.818 5.278 4.460 -0.000 0.000 0.305 222 C C -1.106 173.741 174.990 -0.238 0.000 1.251 222 C CA -0.610 58.221 59.018 -0.311 0.000 1.478 222 C CB 1.153 28.738 27.740 -0.258 0.000 1.922 222 C HN 1.012 nan 8.230 nan 0.000 0.472 223 I N 3.858 124.234 120.570 -0.323 0.000 2.571 223 I HA 0.621 4.791 4.170 -0.000 0.000 0.286 223 I C 0.189 175.854 176.117 -0.753 0.000 1.134 223 I CA 0.208 61.162 61.300 -0.577 0.000 1.052 223 I CB 1.514 39.349 38.000 -0.275 0.000 1.237 223 I HN 0.897 nan 8.210 nan 0.000 0.435 224 G N 4.389 112.142 108.800 -1.745 0.000 2.535 224 G HA2 0.531 4.491 3.960 -0.000 0.000 0.303 224 G HA3 0.531 4.491 3.960 -0.000 0.000 0.303 224 G C -1.313 173.157 174.900 -0.717 0.000 1.237 224 G CA -0.513 43.799 45.100 -1.314 0.000 0.986 224 G HN 0.686 nan 8.290 nan 0.000 0.494 225 N N -2.328 116.220 118.700 -0.253 0.000 2.935 225 N HA 0.346 5.086 4.740 -0.000 0.000 0.248 225 N C -1.310 174.247 175.510 0.078 0.000 1.276 225 N CA -0.532 52.541 53.050 0.038 0.000 0.906 225 N CB 1.660 40.187 38.487 0.068 0.000 1.564 225 N HN 0.344 nan 8.380 nan 0.000 0.500 226 T N 1.613 116.244 114.554 0.129 0.000 2.910 226 T HA 0.203 4.553 4.350 -0.000 0.000 0.323 226 T C -0.015 174.730 174.700 0.075 0.000 1.091 226 T CA -0.391 61.775 62.100 0.110 0.000 0.960 226 T CB 0.524 69.470 68.868 0.130 0.000 1.024 226 T HN 0.402 nan 8.240 nan 0.000 0.509 227 D N 1.726 122.156 120.400 0.050 0.000 2.183 227 D HA -0.001 4.639 4.640 -0.000 0.000 0.203 227 D C 0.610 176.929 176.300 0.032 0.000 0.969 227 D CA 0.907 54.931 54.000 0.040 0.000 0.842 227 D CB 0.313 41.124 40.800 0.019 0.000 0.957 227 D HN 0.413 nan 8.370 nan 0.000 0.484 228 I N 2.120 122.693 120.570 0.004 0.000 2.382 228 I HA 0.136 4.306 4.170 -0.000 0.000 0.285 228 I C -1.712 174.390 176.117 -0.025 0.000 1.007 228 I CA -1.921 59.370 61.300 -0.014 0.000 1.142 228 I CB 1.633 39.588 38.000 -0.074 0.000 1.289 228 I HN -0.227 nan 8.210 nan 0.000 0.453 229 P HA 0.066 nan 4.420 nan 0.000 0.231 229 P C 0.244 177.488 177.300 -0.094 0.000 1.168 229 P CA 0.801 63.885 63.100 -0.026 0.000 0.779 229 P CB 1.127 32.823 31.700 -0.006 0.000 0.844 230 E N -0.491 119.618 120.200 -0.151 0.000 2.292 230 E HA 0.505 4.855 4.350 -0.000 0.000 0.272 230 E C -0.571 175.795 176.600 -0.389 0.000 0.881 230 E CA -0.666 55.560 56.400 -0.290 0.000 0.754 230 E CB 2.130 31.690 29.700 -0.233 0.000 1.201 230 E HN -0.136 nan 8.360 nan 0.000 0.425 231 R N 1.932 121.990 120.500 -0.737 0.000 2.885 231 R HA 0.545 4.885 4.340 -0.000 0.000 0.260 231 R C -1.254 174.566 176.300 -0.800 0.000 1.107 231 R CA -0.850 54.849 56.100 -0.668 0.000 0.978 231 R CB 1.231 31.097 30.300 -0.723 0.000 1.227 231 R HN 0.296 nan 8.270 nan 0.000 0.473 232 F N 0.604 120.397 119.950 -0.261 0.000 2.467 232 F HA 0.257 4.784 4.527 -0.000 0.000 0.336 232 F C 0.611 176.546 175.800 0.225 0.000 1.123 232 F CA -0.701 57.291 58.000 -0.014 0.000 0.964 232 F CB 1.239 40.201 39.000 -0.064 0.000 1.136 232 F HN 0.239 nan 8.300 nan 0.000 0.447 233 D N 1.718 122.393 120.400 0.458 0.000 2.319 233 D HA -0.060 4.580 4.640 -0.000 0.000 0.235 233 D C 1.068 177.489 176.300 0.202 0.000 1.304 233 D CA 0.504 54.676 54.000 0.286 0.000 0.894 233 D CB 0.667 41.568 40.800 0.169 0.000 1.183 233 D HN 0.604 nan 8.370 nan 0.000 0.472 234 E N -0.265 120.011 120.200 0.128 0.000 2.338 234 E HA -0.143 4.207 4.350 -0.000 0.000 0.197 234 E C 1.425 178.078 176.600 0.088 0.000 1.007 234 E CA 0.867 57.327 56.400 0.101 0.000 0.849 234 E CB 0.072 29.821 29.700 0.081 0.000 0.774 234 E HN 0.278 nan 8.360 nan 0.000 0.506 235 Q N -1.100 118.756 119.800 0.093 0.000 2.392 235 Q HA 0.248 4.588 4.340 -0.000 0.000 0.203 235 Q C 0.885 176.944 176.000 0.098 0.000 0.917 235 Q CA 0.605 56.456 55.803 0.080 0.000 0.939 235 Q CB 0.977 29.755 28.738 0.066 0.000 1.063 235 Q HN 0.272 nan 8.270 nan 0.000 0.516 236 G N 0.678 109.564 108.800 0.144 0.000 2.132 236 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.228 236 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.228 236 G C -0.408 174.672 174.900 0.301 0.000 1.000 236 G CA -0.269 44.944 45.100 0.188 0.000 0.693 236 G HN 0.217 nan 8.290 nan 0.000 0.515 237 K N 0.490 121.032 120.400 0.238 0.000 2.213 237 K HA 0.426 4.746 4.320 -0.000 0.000 0.270 237 K C 0.420 177.035 176.600 0.026 0.000 1.002 237 K CA -0.754 55.620 56.287 0.144 0.000 0.868 237 K CB 1.754 34.312 32.500 0.096 0.000 1.093 237 K HN 0.204 nan 8.250 nan 0.000 0.454 238 K N 3.668 123.921 120.400 -0.246 0.000 2.451 238 K HA 0.001 4.321 4.320 -0.000 0.000 0.280 238 K C -1.015 175.455 176.600 -0.217 0.000 1.020 238 K CA 0.188 56.096 56.287 -0.631 0.000 1.008 238 K CB 0.304 32.416 32.500 -0.646 0.000 0.917 238 K HN 0.565 nan 8.250 nan 0.000 0.478 239 Y N 0.459 120.573 120.300 -0.310 0.000 2.625 239 Y HA 0.394 4.944 4.550 0.000 0.000 0.338 239 Y C -1.394 174.433 175.900 -0.122 0.000 1.123 239 Y CA -1.603 56.405 58.100 -0.154 0.000 1.046 239 Y CB 0.801 39.212 38.460 -0.082 0.000 1.299 239 Y HN 0.446 nan 8.280 nan 0.000 0.464 240 K N 2.225 122.700 120.400 0.125 0.000 2.276 240 K HA 0.742 5.062 4.320 -0.000 0.000 0.285 240 K C -0.879 175.834 176.600 0.189 0.000 1.062 240 K CA -0.137 56.184 56.287 0.056 0.000 0.918 240 K CB 0.768 33.305 32.500 0.062 0.000 1.055 240 K HN 0.934 nan 8.250 nan 0.000 0.477 241 A N 3.572 126.431 122.820 0.065 0.000 2.289 241 A HA 0.323 4.643 4.320 -0.000 0.000 0.298 241 A C 0.631 178.310 177.584 0.160 0.000 1.208 241 A CA -0.233 51.914 52.037 0.183 0.000 0.845 241 A CB 0.438 19.480 19.000 0.069 0.000 1.125 241 A HN 0.969 nan 8.150 nan 0.000 0.517 242 T N -0.683 113.986 114.554 0.192 0.000 2.959 242 T HA 0.498 4.848 4.350 -0.000 0.000 0.254 242 T C 0.848 175.642 174.700 0.158 0.000 1.003 242 T CA 0.670 62.858 62.100 0.147 0.000 0.950 242 T CB -0.191 68.749 68.868 0.121 0.000 1.090 242 T HN 1.112 nan 8.240 nan 0.000 0.503 243 A N 3.008 125.937 122.820 0.181 0.000 2.313 243 A HA 0.507 4.827 4.320 -0.000 0.000 0.261 243 A C 0.113 177.817 177.584 0.200 0.000 1.090 243 A CA -0.534 51.609 52.037 0.178 0.000 0.807 243 A CB 0.028 19.105 19.000 0.129 0.000 1.055 243 A HN 0.581 nan 8.150 nan 0.000 0.492 244 D N 0.480 121.005 120.400 0.208 0.000 2.383 244 D HA 0.127 4.767 4.640 -0.000 0.000 0.252 244 D C -0.540 175.829 176.300 0.116 0.000 1.166 244 D CA -0.067 54.020 54.000 0.144 0.000 0.879 244 D CB 1.064 41.898 40.800 0.057 0.000 1.164 244 D HN 0.493 nan 8.370 nan 0.000 0.462 245 D N -0.058 120.409 120.400 0.113 0.000 2.398 245 D HA 0.070 4.710 4.640 -0.000 0.000 0.210 245 D C -0.353 175.918 176.300 -0.048 0.000 1.094 245 D CA -0.383 53.719 54.000 0.171 0.000 0.839 245 D CB 0.347 41.284 40.800 0.228 0.000 0.963 245 D HN 0.162 nan 8.370 nan 0.000 0.506 246 S N -0.928 114.689 115.700 -0.138 0.000 2.556 246 S HA 0.857 5.327 4.470 -0.000 0.000 0.271 246 S C -1.264 173.084 174.600 -0.420 0.000 1.135 246 S CA -0.564 57.455 58.200 -0.302 0.000 0.858 246 S CB 2.143 65.233 63.200 -0.183 0.000 1.114 246 S HN 0.440 nan 8.310 nan 0.000 0.468 247 A N 1.330 123.719 122.820 -0.717 0.000 2.605 247 A HA 0.770 5.090 4.320 -0.000 0.000 0.294 247 A C -2.458 174.545 177.584 -0.969 0.000 1.062 247 A CA -0.735 50.889 52.037 -0.687 0.000 0.682 247 A CB 1.029 19.775 19.000 -0.424 0.000 1.278 247 A HN 0.766 nan 8.150 nan 0.000 0.410 248 Y N 0.265 120.417 120.300 -0.248 0.000 2.373 248 Y HA 0.624 5.174 4.550 -0.000 0.000 0.327 248 Y C 0.370 176.125 175.900 -0.240 0.000 1.036 248 Y CA -0.334 57.654 58.100 -0.187 0.000 1.265 248 Y CB 1.826 40.243 38.460 -0.072 0.000 1.108 248 Y HN 0.972 nan 8.280 nan 0.000 0.471 249 A N 1.881 124.535 122.820 -0.277 0.000 2.330 249 A HA 0.890 5.210 4.320 -0.000 0.000 0.327 249 A C -0.428 176.886 177.584 -0.450 0.000 1.155 249 A CA -0.666 51.111 52.037 -0.433 0.000 0.803 249 A CB 1.003 19.698 19.000 -0.508 0.000 1.208 249 A HN 0.519 nan 8.150 nan 0.000 0.477 250 T N 2.046 116.308 114.554 -0.487 0.000 2.841 250 T HA 0.655 5.005 4.350 -0.000 0.000 0.283 250 T C -1.083 173.411 174.700 -0.343 0.000 1.000 250 T CA 0.082 62.079 62.100 -0.172 0.000 0.977 250 T CB 0.419 69.311 68.868 0.039 0.000 0.979 250 T HN 0.352 nan 8.240 nan 0.000 0.446 251 F N 1.435 121.497 119.950 0.187 0.000 2.532 251 F HA 0.537 5.064 4.527 -0.000 0.000 0.321 251 F C 0.462 176.440 175.800 0.297 0.000 1.089 251 F CA -1.094 57.060 58.000 0.257 0.000 0.926 251 F CB 1.914 40.985 39.000 0.118 0.000 1.168 251 F HN 0.345 nan 8.300 nan 0.000 0.459 252 Q N 2.928 123.007 119.800 0.464 0.000 2.290 252 Q HA 0.637 4.977 4.340 -0.000 0.000 0.259 252 Q C -1.278 174.825 176.000 0.172 0.000 0.941 252 Q CA -0.387 55.537 55.803 0.202 0.000 0.912 252 Q CB 1.146 29.881 28.738 -0.005 0.000 1.244 252 Q HN 0.627 nan 8.270 nan 0.000 0.441 253 L N 1.765 123.057 121.223 0.115 0.000 2.334 253 L HA 0.499 4.839 4.340 -0.000 0.000 0.270 253 L C 0.183 177.083 176.870 0.049 0.000 1.018 253 L CA -0.951 53.942 54.840 0.089 0.000 0.811 253 L CB 1.491 43.600 42.059 0.084 0.000 1.271 253 L HN 0.599 nan 8.230 nan 0.000 0.443 254 E N 0.301 120.527 120.200 0.044 0.000 2.392 254 E HA 0.237 4.587 4.350 -0.000 0.000 0.264 254 E C 0.708 177.320 176.600 0.020 0.000 1.024 254 E CA 0.969 57.384 56.400 0.025 0.000 0.903 254 E CB 0.630 30.344 29.700 0.024 0.000 0.963 254 E HN 0.812 nan 8.360 nan 0.000 0.432 255 G N 2.419 111.223 108.800 0.007 0.000 2.157 255 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.239 255 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.239 255 G C 0.779 175.676 174.900 -0.006 0.000 0.982 255 G CA 0.108 45.209 45.100 0.002 0.000 0.650 255 G HN 1.311 nan 8.290 nan 0.000 0.527 256 G N -1.926 106.869 108.800 -0.008 0.000 2.153 256 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.252 256 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.252 256 G C 0.425 175.316 174.900 -0.016 0.000 0.994 256 G CA 0.652 45.742 45.100 -0.018 0.000 0.698 256 G HN 1.645 nan 8.290 nan 0.000 0.521 257 V N 1.185 121.095 119.914 -0.007 0.000 2.530 257 V HA 0.493 4.613 4.120 -0.000 0.000 0.282 257 V C 0.948 177.048 176.094 0.009 0.000 1.048 257 V CA -0.212 62.077 62.300 -0.018 0.000 0.997 257 V CB 1.400 33.203 31.823 -0.034 0.000 0.987 257 V HN 0.316 nan 8.190 nan 0.000 0.477 258 I N 4.238 124.814 120.570 0.009 0.000 2.359 258 I HA 0.680 4.849 4.170 -0.000 0.000 0.294 258 I C 0.328 176.476 176.117 0.051 0.000 0.987 258 I CA -0.172 61.171 61.300 0.072 0.000 1.225 258 I CB 1.631 39.680 38.000 0.081 0.000 1.366 258 I HN 0.681 nan 8.210 nan 0.000 0.466 259 A N 4.893 127.791 122.820 0.130 0.000 2.355 259 A HA 0.659 4.979 4.320 -0.000 0.000 0.317 259 A C -1.337 176.398 177.584 0.251 0.000 1.094 259 A CA -0.423 51.666 52.037 0.087 0.000 0.764 259 A CB 0.904 19.892 19.000 -0.021 0.000 1.230 259 A HN 0.784 nan 8.150 nan 0.000 0.448 260 H N 1.351 120.454 119.070 0.056 0.000 2.529 260 H HA 0.731 5.287 4.556 0.000 0.000 0.348 260 H C -1.288 174.015 175.328 -0.042 0.000 1.079 260 H CA -0.627 55.451 56.048 0.050 0.000 1.198 260 H CB 0.964 30.727 29.762 0.001 0.000 1.521 260 H HN 0.504 nan 8.280 nan 0.000 0.514 261 I N 4.886 125.036 120.570 -0.699 0.000 2.439 261 I HA 0.245 4.415 4.170 -0.000 0.000 0.285 261 I C -0.400 175.333 176.117 -0.641 0.000 1.021 261 I CA -0.927 59.999 61.300 -0.623 0.000 1.091 261 I CB 1.409 39.020 38.000 -0.648 0.000 1.242 261 I HN 0.584 nan 8.210 nan 0.000 0.439 265 W N 2.766 123.915 121.300 -0.252 0.000 3.325 265 W HA 0.391 5.051 4.660 -0.000 0.000 0.370 265 W C 0.726 176.912 176.519 -0.554 0.000 1.169 265 W CA -0.339 56.776 57.345 -0.383 0.000 1.874 265 W CB 0.736 30.082 29.460 -0.190 0.000 1.076 265 W HN 0.415 nan 8.180 nan 0.000 0.684 266 V N -0.201 119.503 119.914 -0.350 0.000 3.157 266 V HA 0.134 4.254 4.120 -0.000 0.000 0.361 266 V C 0.156 176.157 176.094 -0.155 0.000 1.421 266 V CA -0.130 61.780 62.300 -0.651 0.000 1.213 266 V CB 0.311 31.852 31.823 -0.470 0.000 1.164 266 V HN -0.090 nan 8.190 nan 0.000 0.559 267 T N 1.103 115.665 114.554 0.013 0.000 2.912 267 T HA 0.631 4.981 4.350 -0.000 0.000 0.288 267 T C -0.247 174.628 174.700 0.291 0.000 1.030 267 T CA -0.417 61.792 62.100 0.181 0.000 1.020 267 T CB 1.708 70.601 68.868 0.043 0.000 1.056 267 T HN 0.392 nan 8.240 nan 0.000 0.480 268 R N 1.766 122.424 120.500 0.262 0.000 2.536 268 R HA 0.621 4.961 4.340 -0.000 0.000 0.279 268 R C -0.837 175.550 176.300 0.144 0.000 1.001 268 R CA -0.855 55.363 56.100 0.197 0.000 1.027 268 R CB 1.470 31.839 30.300 0.115 0.000 1.096 268 R HN 0.384 nan 8.270 nan 0.000 0.502 269 V N 3.224 123.218 119.914 0.134 0.000 2.334 269 V HA 0.116 4.236 4.120 -0.000 0.000 0.267 269 V C -0.993 175.189 176.094 0.146 0.000 1.040 269 V CA -0.348 62.018 62.300 0.111 0.000 0.866 269 V CB 0.242 32.109 31.823 0.074 0.000 1.019 269 V HN 0.623 nan 8.190 nan 0.000 0.468 270 Y N 7.611 127.917 120.300 0.010 0.000 2.748 270 Y HA 0.649 5.199 4.550 -0.000 0.000 0.359 270 Y C 0.214 176.117 175.900 0.005 0.000 1.030 270 Y CA -0.728 57.374 58.100 0.005 0.000 1.169 270 Y CB 0.112 38.584 38.460 0.020 0.000 1.127 270 Y HN 0.790 nan 8.280 nan 0.000 0.644 271 R N 0.512 120.936 120.500 -0.127 0.000 2.829 271 R HA 0.213 4.553 4.340 -0.000 0.000 0.284 271 R C -0.948 175.278 176.300 -0.123 0.000 1.006 271 R CA -0.732 55.305 56.100 -0.105 0.000 0.844 271 R CB 0.200 30.487 30.300 -0.022 0.000 1.309 271 R HN 0.150 nan 8.270 nan 0.000 0.494 272 D N -0.283 120.058 120.400 -0.097 0.000 2.264 272 D HA 0.080 4.720 4.640 -0.000 0.000 0.208 272 D C -0.414 175.854 176.300 -0.055 0.000 0.966 272 D CA 1.705 55.651 54.000 -0.089 0.000 0.864 272 D CB 0.104 40.864 40.800 -0.065 0.000 0.933 272 D HN 0.348 nan 8.370 nan 0.000 0.499 273 D N -2.536 117.843 120.400 -0.035 0.000 2.764 273 D HA 0.095 4.735 4.640 -0.000 0.000 0.293 273 D C 0.599 176.897 176.300 -0.003 0.000 1.287 273 D CA -0.587 53.407 54.000 -0.011 0.000 0.768 273 D CB 0.333 41.142 40.800 0.015 0.000 1.288 273 D HN -0.223 nan 8.370 nan 0.000 0.426 274 L N 0.044 121.274 121.223 0.011 0.000 2.353 274 L HA 0.062 4.402 4.340 -0.000 0.000 0.220 274 L C 1.058 177.916 176.870 -0.020 0.000 1.133 274 L CA 0.845 55.692 54.840 0.011 0.000 0.798 274 L CB 0.002 42.088 42.059 0.045 0.000 0.922 274 L HN 0.063 nan 8.230 nan 0.000 0.445 275 V N -1.156 118.801 119.914 0.070 0.000 2.808 275 V HA 0.408 4.528 4.120 -0.000 0.000 0.308 275 V C -0.817 175.308 176.094 0.051 0.000 1.099 275 V CA -0.288 62.078 62.300 0.110 0.000 0.920 275 V CB 2.422 34.480 31.823 0.391 0.000 1.014 275 V HN -0.091 nan 8.190 nan 0.000 0.425 276 T N 6.939 121.435 114.554 -0.097 0.000 2.824 276 T HA 0.677 5.027 4.350 -0.000 0.000 0.282 276 T C -1.276 173.229 174.700 -0.325 0.000 0.993 276 T CA -0.028 62.011 62.100 -0.102 0.000 0.967 276 T CB 0.743 69.562 68.868 -0.082 0.000 0.960 276 T HN 0.421 nan 8.240 nan 0.000 0.441 277 F N 2.903 122.852 119.950 -0.002 0.000 2.427 277 F HA 0.440 4.967 4.527 0.000 0.000 0.348 277 F C 0.365 176.168 175.800 0.006 0.000 1.125 277 F CA -0.888 57.102 58.000 -0.018 0.000 0.989 277 F CB 1.855 40.874 39.000 0.033 0.000 1.165 277 F HN 0.378 nan 8.300 nan 0.000 0.442 278 Q N 3.494 123.353 119.800 0.099 0.000 2.290 278 Q HA 0.659 4.999 4.340 -0.000 0.000 0.259 278 Q C -1.780 174.270 176.000 0.082 0.000 0.941 278 Q CA -0.549 55.313 55.803 0.098 0.000 0.912 278 Q CB 1.544 30.302 28.738 0.033 0.000 1.244 278 Q HN 0.524 nan 8.270 nan 0.000 0.441 279 V N 4.255 124.254 119.914 0.143 0.000 2.417 279 V HA 0.365 4.485 4.120 -0.000 0.000 0.291 279 V C -0.687 175.469 176.094 0.103 0.000 1.024 279 V CA -0.763 61.522 62.300 -0.025 0.000 0.861 279 V CB 1.781 33.499 31.823 -0.175 0.000 0.985 279 V HN 0.852 nan 8.190 nan 0.000 0.436 280 D N 3.697 124.094 120.400 -0.005 0.000 2.344 280 D HA 0.589 5.229 4.640 -0.000 0.000 0.239 280 D C 0.184 176.514 176.300 0.050 0.000 1.064 280 D CA 0.159 54.216 54.000 0.095 0.000 0.829 280 D CB 2.496 43.340 40.800 0.073 0.000 1.129 280 D HN 0.730 nan 8.370 nan 0.000 0.506 281 G N 0.352 109.265 108.800 0.189 0.000 2.644 281 G HA2 0.289 4.249 3.960 -0.000 0.000 0.307 281 G HA3 0.289 4.249 3.960 -0.000 0.000 0.307 281 G C 0.812 175.781 174.900 0.115 0.000 1.250 281 G CA -0.253 44.947 45.100 0.167 0.000 0.996 281 G HN 0.264 nan 8.290 nan 0.000 0.489 282 T N -0.690 113.909 114.554 0.074 0.000 2.867 282 T HA -0.031 4.319 4.350 -0.000 0.000 0.268 282 T C 1.474 176.294 174.700 0.200 0.000 1.057 282 T CA 1.306 63.469 62.100 0.104 0.000 1.136 282 T CB -0.275 68.635 68.868 0.070 0.000 0.874 282 T HN 0.564 nan 8.240 nan 0.000 0.466 283 H N -1.045 117.967 119.070 -0.097 0.000 2.705 283 H HA 0.452 5.008 4.556 0.000 0.000 0.269 283 H C 0.966 176.049 175.328 -0.407 0.000 0.998 283 H CA -0.386 55.529 56.048 -0.223 0.000 1.193 283 H CB 0.954 30.567 29.762 -0.249 0.000 1.485 283 H HN 0.383 nan 8.280 nan 0.000 0.521 284 G N -0.240 108.430 108.800 -0.217 0.000 2.322 284 G HA2 0.323 4.283 3.960 -0.000 0.000 0.295 284 G HA3 0.323 4.283 3.960 -0.000 0.000 0.295 284 G C -1.457 173.538 174.900 0.158 0.000 1.369 284 G CA -0.585 44.333 45.100 -0.304 0.000 0.821 284 G HN 0.077 nan 8.290 nan 0.000 0.536 285 S N -1.516 114.416 115.700 0.386 0.000 2.661 285 S HA 0.973 5.443 4.470 -0.000 0.000 0.285 285 S C -0.402 174.682 174.600 0.807 0.000 1.138 285 S CA -0.003 58.569 58.200 0.620 0.000 0.855 285 S CB 1.840 65.314 63.200 0.457 0.000 1.136 285 S HN 2.015 nan 8.310 nan 0.000 0.484 286 A N 0.725 124.028 122.820 0.806 0.000 2.549 286 A HA 0.791 5.111 4.320 -0.000 0.000 0.297 286 A C -1.744 176.101 177.584 0.435 0.000 1.061 286 A CA -0.594 51.816 52.037 0.622 0.000 0.690 286 A CB 1.348 20.653 19.000 0.508 0.000 1.287 286 A HN 0.610 nan 8.150 nan 0.000 0.402 287 V N 1.017 121.087 119.914 0.261 0.000 2.483 287 V HA 0.744 4.864 4.120 -0.000 0.000 0.297 287 V C 0.182 176.346 176.094 0.115 0.000 1.027 287 V CA -0.115 62.246 62.300 0.101 0.000 0.855 287 V CB 1.349 33.091 31.823 -0.135 0.000 0.995 287 V HN 1.496 nan 8.190 nan 0.000 0.424 288 A N 3.477 126.393 122.820 0.160 0.000 2.355 288 A HA 0.950 5.270 4.320 -0.000 0.000 0.317 288 A C 0.344 178.020 177.584 0.153 0.000 1.094 288 A CA 0.090 52.218 52.037 0.152 0.000 0.764 288 A CB 1.678 20.786 19.000 0.181 0.000 1.230 288 A HN 0.975 nan 8.150 nan 0.000 0.448 289 G N -0.101 108.760 108.800 0.102 0.000 2.849 289 G HA2 0.453 4.413 3.960 -0.000 0.000 0.174 289 G HA3 0.453 4.413 3.960 -0.000 0.000 0.174 289 G C 0.574 175.541 174.900 0.112 0.000 1.370 289 G CA -0.417 44.744 45.100 0.101 0.000 1.040 289 G HN 0.494 nan 8.290 nan 0.000 0.582 290 L N -0.377 120.900 121.223 0.091 0.000 2.027 290 L HA 0.045 4.385 4.340 -0.000 0.000 0.206 290 L C 2.897 179.778 176.870 0.019 0.000 1.074 290 L CA 2.026 56.913 54.840 0.080 0.000 0.745 290 L CB -0.264 41.845 42.059 0.083 0.000 0.898 290 L HN 0.394 nan 8.230 nan 0.000 0.433 291 S N -2.454 113.246 115.700 -0.000 0.000 2.599 291 S HA 0.155 4.625 4.470 -0.000 0.000 0.236 291 S C 0.307 174.873 174.600 -0.056 0.000 1.077 291 S CA -0.254 57.917 58.200 -0.049 0.000 0.906 291 S CB 0.418 63.606 63.200 -0.020 0.000 0.804 291 S HN 0.280 nan 8.310 nan 0.000 0.497 292 D N -0.269 120.125 120.400 -0.009 0.000 2.392 292 D HA 0.616 5.256 4.640 -0.000 0.000 0.246 292 D C -0.628 175.691 176.300 0.032 0.000 1.013 292 D CA -0.290 53.715 54.000 0.008 0.000 0.993 292 D CB 2.079 42.889 40.800 0.016 0.000 1.219 292 D HN 0.194 nan 8.370 nan 0.000 0.538 296 Q N 3.530 123.426 119.800 0.159 0.000 2.414 296 Q HA 0.763 5.103 4.340 -0.000 0.000 0.256 296 Q C -0.797 175.216 176.000 0.021 0.000 0.974 296 Q CA -0.581 55.096 55.803 -0.210 0.000 0.723 296 Q CB 1.976 30.020 28.738 -1.157 0.000 1.281 296 Q HN 1.079 nan 8.270 nan 0.000 0.470 297 A N 2.926 125.812 122.820 0.108 0.000 2.466 297 A HA 0.075 4.395 4.320 -0.000 0.000 0.238 297 A C 1.058 178.543 177.584 -0.165 0.000 1.074 297 A CA 0.130 52.091 52.037 -0.128 0.000 0.774 297 A CB 0.297 19.267 19.000 -0.051 0.000 1.015 297 A HN 1.041 nan 8.150 nan 0.000 0.498 298 R N 0.386 120.765 120.500 -0.203 0.000 2.200 298 R HA -0.191 4.149 4.340 -0.000 0.000 0.234 298 R C 0.915 177.142 176.300 -0.121 0.000 1.127 298 R CA 1.903 57.915 56.100 -0.146 0.000 0.989 298 R CB -0.276 29.942 30.300 -0.136 0.000 0.869 298 R HN 0.722 nan 8.270 nan 0.000 0.459 299 Q N 0.594 120.323 119.800 -0.118 0.000 2.378 299 Q HA 0.146 4.486 4.340 -0.000 0.000 0.205 299 Q C 1.672 177.631 176.000 -0.068 0.000 0.954 299 Q CA 1.412 57.164 55.803 -0.086 0.000 0.901 299 Q CB 0.392 29.084 28.738 -0.076 0.000 0.981 299 Q HN 0.546 nan 8.270 nan 0.000 0.483 300 A N -0.309 122.462 122.820 -0.081 0.000 2.308 300 A HA 0.132 4.452 4.320 -0.000 0.000 0.217 300 A C 0.478 178.003 177.584 -0.097 0.000 1.216 300 A CA -0.114 51.877 52.037 -0.076 0.000 0.864 300 A CB 0.115 19.068 19.000 -0.077 0.000 0.902 300 A HN 0.128 nan 8.150 nan 0.000 0.499 301 T N 3.966 118.457 114.554 -0.104 0.000 2.834 301 T HA 0.370 4.720 4.350 -0.000 0.000 0.298 301 T C -1.965 172.715 174.700 -0.034 0.000 0.966 301 T CA -0.526 61.522 62.100 -0.087 0.000 1.141 301 T CB 0.793 69.612 68.868 -0.083 0.000 0.905 301 T HN 0.363 nan 8.240 nan 0.000 0.535 302 P HA 0.296 nan 4.420 nan 0.000 0.276 302 P C -0.537 176.772 177.300 0.015 0.000 1.261 302 P CA -0.821 62.280 63.100 0.001 0.000 0.800 302 P CB 1.039 32.748 31.700 0.015 0.000 1.066 303 R N 1.621 122.114 120.500 -0.011 0.000 2.664 303 R HA 0.295 4.635 4.340 -0.000 0.000 0.281 303 R C -1.917 174.395 176.300 0.020 0.000 1.383 303 R CA -1.463 54.643 56.100 0.010 0.000 1.563 303 R CB -0.057 30.240 30.300 -0.005 0.000 1.131 303 R HN 0.439 nan 8.270 nan 0.000 0.599 304 P HA 0.113 nan 4.420 nan 0.000 0.274 304 P C -0.852 176.513 177.300 0.108 0.000 1.231 304 P CA -0.402 62.764 63.100 0.110 0.000 0.790 304 P CB 1.705 33.572 31.700 0.278 0.000 0.951 305 V N 3.170 123.144 119.914 0.099 0.000 2.540 305 V HA 0.225 4.345 4.120 -0.000 0.000 0.302 305 V C -0.528 175.658 176.094 0.152 0.000 1.035 305 V CA -1.027 61.345 62.300 0.120 0.000 0.873 305 V CB 1.708 33.576 31.823 0.074 0.000 0.992 305 V HN 0.652 nan 8.190 nan 0.000 0.428 306 W N 7.633 128.952 121.300 0.031 0.000 2.520 306 W HA 0.066 4.726 4.660 0.000 0.000 0.337 306 W C -0.110 176.427 176.519 0.029 0.000 1.406 306 W CA 0.703 58.066 57.345 0.030 0.000 1.318 306 W CB 0.283 29.753 29.460 0.016 0.000 1.338 306 W HN 0.743 nan 8.180 nan 0.000 0.570 307 N N 6.746 125.139 118.700 -0.512 0.000 2.699 307 N HA 0.160 4.900 4.740 -0.000 0.000 0.271 307 N C -2.598 172.692 175.510 -0.367 0.000 1.216 307 N CA -0.758 52.108 53.050 -0.307 0.000 0.844 307 N CB 1.203 39.616 38.487 -0.123 0.000 1.462 307 N HN 0.147 nan 8.380 nan 0.000 0.555 312 R N 0.086 120.575 120.500 -0.018 0.000 3.142 312 R HA 0.628 4.968 4.340 -0.000 0.000 0.260 312 R C -0.125 176.177 176.300 0.003 0.000 1.129 312 R CA -0.304 55.794 56.100 -0.003 0.000 0.976 312 R CB 0.682 30.980 30.300 -0.003 0.000 1.396 312 R HN 0.066 nan 8.270 nan 0.000 0.434 313 L N -1.986 119.240 121.223 0.005 0.000 3.852 313 L HA -0.252 4.088 4.340 -0.000 0.000 0.159 313 L C -0.081 176.782 176.870 -0.011 0.000 4.150 313 L CA 0.888 55.730 54.840 0.003 0.000 1.032 313 L CB -1.242 40.822 42.059 0.008 0.000 3.397 313 L HN 0.622 nan 8.230 nan 0.000 0.978 314 H N 1.680 120.646 119.070 -0.172 0.000 2.683 314 H HA 0.384 4.940 4.556 -0.000 0.000 0.339 314 H C -0.674 174.427 175.328 -0.378 0.000 1.081 314 H CA 0.173 56.024 56.048 -0.328 0.000 1.432 314 H CB 1.014 30.454 29.762 -0.537 0.000 1.462 314 H HN 0.214 nan 8.280 nan 0.000 0.557 315 D N 4.182 124.041 120.400 -0.902 0.000 2.428 315 D HA 0.046 4.686 4.640 -0.000 0.000 0.221 315 D C 0.046 175.964 176.300 -0.637 0.000 1.123 315 D CA -0.209 53.478 54.000 -0.520 0.000 0.869 315 D CB -0.141 40.527 40.800 -0.221 0.000 1.032 315 D HN 0.498 nan 8.370 nan 0.000 0.506 316 F N 1.930 121.780 119.950 -0.167 0.000 2.259 316 F HA -0.072 4.455 4.527 -0.000 0.000 0.298 316 F C 1.307 177.185 175.800 0.131 0.000 1.088 316 F CA 0.518 58.527 58.000 0.015 0.000 1.358 316 F CB -0.288 38.709 39.000 -0.005 0.000 1.040 316 F HN 0.460 nan 8.300 nan 0.000 0.505 317 Y N -0.057 120.398 120.300 0.259 0.000 2.274 317 Y HA -0.102 4.448 4.550 -0.000 0.000 0.290 317 Y C 2.573 178.622 175.900 0.247 0.000 1.145 317 Y CA 1.003 59.194 58.100 0.152 0.000 1.203 317 Y CB -1.274 37.194 38.460 0.013 0.000 0.984 317 Y HN 0.027 nan 8.280 nan 0.000 0.533 318 G N -0.503 108.472 108.800 0.291 0.000 2.509 318 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.218 318 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.218 318 G C 1.046 176.082 174.900 0.226 0.000 1.124 318 G CA 0.860 46.075 45.100 0.192 0.000 0.776 318 G HN 0.285 nan 8.290 nan 0.000 0.547 319 D N -0.408 120.182 120.400 0.316 0.000 2.378 319 D HA 0.036 4.676 4.640 -0.000 0.000 0.227 319 D C 0.120 176.480 176.300 0.099 0.000 1.012 319 D CA 0.297 54.421 54.000 0.207 0.000 0.905 319 D CB 0.182 41.106 40.800 0.206 0.000 0.895 319 D HN 0.380 nan 8.370 nan 0.000 0.532 320 W N 0.603 121.978 121.300 0.126 0.000 2.655 320 W HA 0.440 5.100 4.660 -0.000 0.000 0.358 320 W C 0.182 176.760 176.519 0.098 0.000 1.100 320 W CA -0.961 56.458 57.345 0.124 0.000 1.195 320 W CB 0.719 30.262 29.460 0.138 0.000 1.403 320 W HN -0.358 nan 8.180 nan 0.000 0.589 321 Q N 1.467 121.460 119.800 0.323 0.000 2.331 321 Q HA 0.423 4.763 4.340 -0.000 0.000 0.272 321 Q C -1.277 174.820 176.000 0.161 0.000 1.062 321 Q CA -1.022 54.896 55.803 0.192 0.000 0.806 321 Q CB 2.213 31.029 28.738 0.130 0.000 1.312 321 Q HN 0.401 nan 8.270 nan 0.000 0.431 322 K N 4.388 124.860 120.400 0.119 0.000 2.258 322 K HA 0.312 4.632 4.320 -0.000 0.000 0.284 322 K C -0.581 176.060 176.600 0.068 0.000 1.051 322 K CA -0.490 55.851 56.287 0.091 0.000 0.923 322 K CB 0.576 33.119 32.500 0.072 0.000 1.046 322 K HN 0.732 nan 8.250 nan 0.000 0.474 323 L N 6.604 127.862 121.223 0.059 0.000 2.514 323 L HA 0.111 4.451 4.340 -0.000 0.000 0.280 323 L C -1.562 175.338 176.870 0.050 0.000 1.223 323 L CA -1.503 53.367 54.840 0.051 0.000 0.864 323 L CB 0.064 42.157 42.059 0.056 0.000 1.118 323 L HN 0.651 nan 8.230 nan 0.000 0.494 324 P HA 0.057 nan 4.420 nan 0.000 0.272 324 P C -1.162 176.160 177.300 0.038 0.000 1.223 324 P CA -0.396 62.724 63.100 0.033 0.000 0.784 324 P CB 0.687 32.399 31.700 0.019 0.000 0.923 325 D N 2.397 122.827 120.400 0.049 0.000 2.494 325 D HA 0.089 4.729 4.640 -0.000 0.000 0.217 325 D C 0.705 177.005 176.300 -0.001 0.000 1.153 325 D CA -0.095 53.952 54.000 0.078 0.000 0.954 325 D CB -0.142 40.724 40.800 0.110 0.000 1.034 325 D HN 0.176 nan 8.370 nan 0.000 0.518 326 N N 0.205 118.871 118.700 -0.057 0.000 2.424 326 N HA -0.017 4.723 4.740 -0.000 0.000 0.178 326 N C 0.557 175.977 175.510 -0.151 0.000 1.060 326 N CA 0.300 53.290 53.050 -0.101 0.000 0.901 326 N CB 0.707 39.117 38.487 -0.127 0.000 0.979 326 N HN 0.345 nan 8.380 nan 0.000 0.451 327 V N -2.901 116.863 119.914 -0.249 0.000 3.001 327 V HA 0.615 4.735 4.120 -0.000 0.000 0.314 327 V C 0.152 175.989 176.094 -0.428 0.000 1.099 327 V CA -0.933 61.161 62.300 -0.343 0.000 0.989 327 V CB 1.896 33.454 31.823 -0.441 0.000 1.040 327 V HN -0.166 nan 8.190 nan 0.000 0.434 328 S N 1.852 117.369 115.700 -0.304 0.000 2.565 328 S HA 0.603 5.073 4.470 -0.000 0.000 0.276 328 S C -1.035 173.365 174.600 -0.334 0.000 1.326 328 S CA 0.018 58.089 58.200 -0.216 0.000 1.045 328 S CB 0.225 63.374 63.200 -0.084 0.000 0.918 328 S HN 0.658 nan 8.310 nan 0.000 0.505 329 Y N 1.566 121.879 120.300 0.022 0.000 2.331 329 Y HA 0.315 4.865 4.550 0.000 0.000 0.338 329 Y C 0.505 176.430 175.900 0.042 0.000 0.976 329 Y CA -0.949 57.174 58.100 0.038 0.000 1.137 329 Y CB 0.847 39.333 38.460 0.043 0.000 1.172 329 Y HN 0.543 nan 8.280 nan 0.000 0.478 330 D N 1.673 122.176 120.400 0.171 0.000 2.383 330 D HA -0.013 4.627 4.640 -0.000 0.000 0.248 330 D C -0.078 176.294 176.300 0.120 0.000 1.170 330 D CA -0.340 53.727 54.000 0.111 0.000 0.977 330 D CB 0.734 41.577 40.800 0.071 0.000 1.120 330 D HN 0.576 nan 8.370 nan 0.000 0.481 331 N N 0.224 118.976 118.700 0.086 0.000 2.447 331 N HA -0.021 4.719 4.740 -0.000 0.000 0.263 331 N C 1.009 176.535 175.510 0.027 0.000 1.226 331 N CA 0.267 53.373 53.050 0.092 0.000 0.906 331 N CB 0.969 39.517 38.487 0.101 0.000 1.060 331 N HN 0.515 nan 8.380 nan 0.000 0.468 332 G N 3.605 112.386 108.800 -0.033 0.000 2.408 332 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 332 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 332 G C 1.115 175.671 174.900 -0.572 0.000 1.150 332 G CA 0.417 45.326 45.100 -0.318 0.000 0.776 332 G HN 0.643 nan 8.290 nan 0.000 0.542 333 F N 1.043 120.878 119.950 -0.193 0.000 2.102 333 F HA 0.018 4.545 4.527 -0.000 0.000 0.298 333 F C 2.611 178.415 175.800 0.005 0.000 1.105 333 F CA 1.631 59.544 58.000 -0.144 0.000 1.239 333 F CB -0.174 38.707 39.000 -0.198 0.000 0.991 333 F HN 0.038 nan 8.300 nan 0.000 0.474 334 K N 0.846 121.348 120.400 0.170 0.000 2.009 334 K HA -0.282 4.038 4.320 -0.000 0.000 0.210 334 K C 2.143 178.776 176.600 0.054 0.000 1.049 334 K CA 2.013 58.367 56.287 0.112 0.000 0.929 334 K CB -0.388 32.132 32.500 0.034 0.000 0.714 334 K HN 0.334 nan 8.250 nan 0.000 0.440 335 E N 0.432 120.584 120.200 -0.081 0.000 2.070 335 E HA -0.276 4.074 4.350 -0.000 0.000 0.197 335 E C 2.164 178.677 176.600 -0.145 0.000 1.004 335 E CA 1.566 57.894 56.400 -0.121 0.000 0.805 335 E CB 0.000 29.591 29.700 -0.181 0.000 0.744 335 E HN 0.371 nan 8.360 nan 0.000 0.451 336 Q N -0.934 118.639 119.800 -0.378 0.000 2.230 336 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 336 Q C 1.660 177.614 176.000 -0.076 0.000 0.963 336 Q CA 0.951 56.624 55.803 -0.215 0.000 0.866 336 Q CB -0.089 28.400 28.738 -0.415 0.000 0.931 336 Q HN 0.426 nan 8.270 nan 0.000 0.452 337 W N 1.716 122.921 121.300 -0.160 0.000 2.354 337 W HA -0.140 4.520 4.660 -0.000 0.000 0.315 337 W C 1.084 177.523 176.519 -0.133 0.000 1.206 337 W CA 0.686 57.880 57.345 -0.251 0.000 1.290 337 W CB -0.053 29.285 29.460 -0.203 0.000 1.152 337 W HN 0.157 nan 8.180 nan 0.000 0.489 341 I N 1.806 122.285 120.570 -0.152 0.000 2.252 341 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 341 I C 2.135 178.193 176.117 -0.099 0.000 1.102 341 I CA 1.392 62.633 61.300 -0.100 0.000 1.385 341 I CB -0.463 37.594 38.000 0.095 0.000 1.064 341 I HN 0.098 nan 8.210 nan 0.000 0.414 342 R N -0.260 120.205 120.500 -0.058 0.000 2.241 342 R HA -0.198 4.142 4.340 -0.000 0.000 0.224 342 R C 2.059 178.317 176.300 -0.070 0.000 1.101 342 R CA 1.025 57.107 56.100 -0.030 0.000 0.995 342 R CB -0.522 29.788 30.300 0.015 0.000 0.870 342 R HN 0.480 nan 8.270 nan 0.000 0.463 343 H N -0.053 118.831 119.070 -0.309 0.000 2.535 343 H HA 0.056 4.612 4.556 0.000 0.000 0.273 343 H C 1.478 176.556 175.328 -0.417 0.000 0.983 343 H CA 0.773 56.607 56.048 -0.357 0.000 1.238 343 H CB 0.362 29.789 29.762 -0.559 0.000 1.412 343 H HN -0.120 nan 8.280 nan 0.000 0.562 344 V N -0.723 118.790 119.914 -0.668 0.000 2.484 344 V HA -0.084 4.036 4.120 -0.000 0.000 0.236 344 V C 1.682 177.458 176.094 -0.529 0.000 1.062 344 V CA 1.175 62.997 62.300 -0.798 0.000 1.081 344 V CB -0.823 30.363 31.823 -1.061 0.000 0.751 344 V HN 0.300 nan 8.190 nan 0.000 0.484 345 Y N 0.516 120.648 120.300 -0.280 0.000 2.314 345 Y HA -0.051 4.499 4.550 -0.000 0.000 0.293 345 Y C 2.530 178.353 175.900 -0.127 0.000 1.129 345 Y CA 1.704 59.707 58.100 -0.162 0.000 1.201 345 Y CB 0.196 38.587 38.460 -0.115 0.000 0.999 345 Y HN 0.274 nan 8.280 nan 0.000 0.541 346 E N -0.375 119.832 120.200 0.013 0.000 2.452 346 E HA -0.055 4.295 4.350 -0.000 0.000 0.197 346 E C -0.521 176.050 176.600 -0.050 0.000 1.022 346 E CA 0.200 56.596 56.400 -0.008 0.000 0.890 346 E CB 0.320 30.023 29.700 0.005 0.000 0.918 346 E HN 0.216 nan 8.360 nan 0.000 0.496 347 D N 1.048 121.371 120.400 -0.128 0.000 3.038 347 D HA -0.191 4.449 4.640 -0.000 0.000 0.229 347 D C -0.881 175.401 176.300 -0.030 0.000 1.182 347 D CA 0.926 54.831 54.000 -0.158 0.000 0.852 347 D CB -0.859 39.853 40.800 -0.145 0.000 0.932 347 D HN 0.274 nan 8.370 nan 0.000 0.406 348 A N 1.764 124.611 122.820 0.044 0.000 2.294 348 A HA 0.704 5.024 4.320 -0.000 0.000 0.330 348 A C -2.229 175.482 177.584 0.212 0.000 1.133 348 A CA -1.328 50.773 52.037 0.106 0.000 0.836 348 A CB 0.993 20.043 19.000 0.084 0.000 1.190 348 A HN -0.015 nan 8.150 nan 0.000 0.492 349 P HA 0.136 nan 4.420 nan 0.000 0.263 349 P C -1.297 176.053 177.300 0.082 0.000 1.175 349 P CA 1.098 64.248 63.100 0.083 0.000 0.761 349 P CB -0.060 31.657 31.700 0.028 0.000 0.794 350 Y N 1.990 122.146 120.300 -0.240 0.000 2.274 350 Y HA 0.205 4.755 4.550 0.000 0.000 0.323 350 Y C 0.684 176.326 175.900 -0.431 0.000 1.171 350 Y CA -0.525 57.339 58.100 -0.393 0.000 1.163 350 Y CB 1.096 39.133 38.460 -0.706 0.000 1.183 350 Y HN 0.208 nan 8.280 nan 0.000 0.424 351 K N 3.615 123.490 120.400 -0.874 0.000 2.228 351 K HA 0.051 4.370 4.320 -0.000 0.000 0.202 351 K C -0.119 175.960 176.600 -0.867 0.000 1.051 351 K CA 0.681 56.475 56.287 -0.823 0.000 0.960 351 K CB 0.061 32.058 32.500 -0.838 0.000 0.743 351 K HN 0.497 nan 8.250 nan 0.000 0.458 352 F N 2.127 121.459 119.950 -1.029 0.000 2.705 352 F HA 0.036 4.563 4.527 -0.000 0.000 0.355 352 F C 1.057 176.576 175.800 -0.468 0.000 1.172 352 F CA -0.219 57.339 58.000 -0.737 0.000 1.332 352 F CB -1.087 37.553 39.000 -0.600 0.000 1.621 352 F HN -0.102 nan 8.300 nan 0.000 0.605 353 T N -3.032 111.436 114.554 -0.143 0.000 2.770 353 T HA 0.283 4.633 4.350 -0.000 0.000 0.281 353 T C 1.491 176.307 174.700 0.193 0.000 0.981 353 T CA -0.645 61.490 62.100 0.058 0.000 0.955 353 T CB 0.817 69.645 68.868 -0.067 0.000 1.060 353 T HN 0.327 nan 8.240 nan 0.000 0.531 354 L N 0.361 121.852 121.223 0.448 0.000 2.187 354 L HA -0.019 4.321 4.340 -0.000 0.000 0.213 354 L C 2.552 179.517 176.870 0.159 0.000 1.100 354 L CA 0.707 55.697 54.840 0.249 0.000 0.765 354 L CB -0.775 41.391 42.059 0.178 0.000 0.904 354 L HN 0.610 nan 8.230 nan 0.000 0.437 355 L N -0.066 121.280 121.223 0.206 0.000 2.081 355 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 355 L C 2.555 179.495 176.870 0.116 0.000 1.080 355 L CA 1.839 56.766 54.840 0.145 0.000 0.754 355 L CB -0.534 41.615 42.059 0.149 0.000 0.893 355 L HN 0.213 nan 8.230 nan 0.000 0.433 356 E N -0.219 120.038 120.200 0.096 0.000 2.106 356 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 356 E C 2.163 178.813 176.600 0.083 0.000 0.984 356 E CA 1.146 57.597 56.400 0.087 0.000 0.806 356 E CB -0.766 28.984 29.700 0.083 0.000 0.750 356 E HN 0.637 nan 8.360 nan 0.000 0.458 357 G N 1.440 110.274 108.800 0.058 0.000 2.418 357 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 357 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 357 G C 1.771 176.713 174.900 0.070 0.000 1.158 357 G CA 1.312 46.432 45.100 0.033 0.000 0.771 357 G HN 0.390 nan 8.290 nan 0.000 0.545 358 A N 0.922 123.806 122.820 0.108 0.000 1.902 358 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 358 A C 2.278 179.998 177.584 0.226 0.000 1.181 358 A CA 2.008 54.161 52.037 0.192 0.000 0.623 358 A CB -0.409 18.707 19.000 0.194 0.000 0.818 358 A HN 0.371 nan 8.150 nan 0.000 0.443 359 K N -0.706 119.790 120.400 0.159 0.000 2.160 359 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 359 K C 2.022 178.649 176.600 0.046 0.000 1.047 359 K CA 1.168 57.514 56.287 0.097 0.000 0.930 359 K CB -0.420 32.137 32.500 0.094 0.000 0.720 359 K HN 0.506 nan 8.250 nan 0.000 0.450 360 G N 0.542 109.380 108.800 0.063 0.000 2.404 360 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.215 360 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.215 360 G C 1.542 176.445 174.900 0.005 0.000 1.174 360 G CA 0.698 45.818 45.100 0.033 0.000 0.780 360 G HN 0.104 nan 8.290 nan 0.000 0.537 361 V N 0.734 120.667 119.914 0.031 0.000 2.343 361 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 361 V C 2.734 178.790 176.094 -0.064 0.000 1.051 361 V CA 2.249 64.573 62.300 0.040 0.000 1.036 361 V CB -0.715 31.190 31.823 0.137 0.000 0.654 361 V HN 0.485 nan 8.190 nan 0.000 0.451 362 Q N -0.379 119.277 119.800 -0.241 0.000 2.062 362 Q HA -0.296 4.044 4.340 -0.000 0.000 0.209 362 Q C 2.292 178.117 176.000 -0.291 0.000 0.996 362 Q CA 2.446 57.841 55.803 -0.680 0.000 0.859 362 Q CB -0.245 27.981 28.738 -0.853 0.000 0.920 362 Q HN 0.551 nan 8.270 nan 0.000 0.415 363 L N 0.487 121.637 121.223 -0.122 0.000 2.056 363 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 363 L C 2.242 179.130 176.870 0.030 0.000 1.078 363 L CA 2.117 56.956 54.840 -0.001 0.000 0.749 363 L CB -0.871 41.236 42.059 0.081 0.000 0.901 363 L HN 0.274 nan 8.230 nan 0.000 0.433 364 A N -0.732 122.097 122.820 0.016 0.000 1.865 364 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 364 A C 2.203 179.805 177.584 0.030 0.000 1.191 364 A CA 1.979 54.035 52.037 0.032 0.000 0.623 364 A CB -0.761 18.251 19.000 0.020 0.000 0.826 364 A HN 0.583 nan 8.150 nan 0.000 0.444 365 E N -1.083 119.116 120.200 -0.003 0.000 2.204 365 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 365 E C 1.994 178.592 176.600 -0.003 0.000 0.990 365 E CA 1.019 57.421 56.400 0.003 0.000 0.821 365 E CB -0.335 29.359 29.700 -0.010 0.000 0.750 365 E HN 0.694 nan 8.360 nan 0.000 0.477 366 C N 0.209 119.494 119.300 -0.026 0.000 2.466 366 C HA -0.012 4.448 4.460 -0.000 0.000 0.278 366 C C 2.851 177.851 174.990 0.017 0.000 1.288 366 C CA 0.780 59.794 59.018 -0.007 0.000 1.722 366 C CB -0.741 26.994 27.740 -0.010 0.000 2.017 366 C HN 0.520 nan 8.230 nan 0.000 0.488 367 A N 0.423 123.258 122.820 0.025 0.000 1.898 367 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 367 A C 2.078 179.720 177.584 0.097 0.000 1.181 367 A CA 1.385 53.429 52.037 0.012 0.000 0.620 367 A CB -0.612 18.395 19.000 0.011 0.000 0.819 367 A HN 0.596 nan 8.150 nan 0.000 0.442 368 L N -0.468 120.839 121.223 0.140 0.000 2.012 368 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 368 L C 2.639 179.599 176.870 0.151 0.000 1.073 368 L CA 2.058 57.036 54.840 0.230 0.000 0.748 368 L CB -0.455 41.697 42.059 0.156 0.000 0.891 368 L HN 0.500 nan 8.230 nan 0.000 0.431 369 K N 0.359 120.804 120.400 0.074 0.000 2.032 369 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 369 K C 2.394 179.026 176.600 0.053 0.000 1.048 369 K CA 1.900 58.210 56.287 0.038 0.000 0.927 369 K CB -0.158 32.358 32.500 0.027 0.000 0.712 369 K HN 0.330 nan 8.250 nan 0.000 0.441 370 S N -0.038 115.697 115.700 0.058 0.000 2.383 370 S HA -0.200 4.270 4.470 -0.000 0.000 0.229 370 S C 1.866 176.524 174.600 0.097 0.000 1.030 370 S CA 1.044 59.265 58.200 0.034 0.000 1.002 370 S CB -0.753 62.417 63.200 -0.049 0.000 0.829 370 S HN 0.621 nan 8.310 nan 0.000 0.467 371 W N 2.693 123.946 121.300 -0.079 0.000 2.354 371 W HA 0.062 4.722 4.660 0.000 0.000 0.315 371 W C 2.372 178.869 176.519 -0.037 0.000 1.206 371 W CA 1.358 58.666 57.345 -0.061 0.000 1.290 371 W CB -0.922 28.511 29.460 -0.045 0.000 1.152 371 W HN 0.356 nan 8.180 nan 0.000 0.489 372 K N 0.092 120.455 120.400 -0.063 0.000 2.209 372 K HA -0.176 4.144 4.320 -0.000 0.000 0.204 372 K C 1.344 177.898 176.600 -0.078 0.000 1.048 372 K CA 1.852 58.015 56.287 -0.206 0.000 0.940 372 K CB -0.193 32.190 32.500 -0.195 0.000 0.729 372 K HN 0.226 nan 8.250 nan 0.000 0.451 373 E N -0.068 120.126 120.200 -0.010 0.000 2.538 373 E HA 0.091 4.441 4.350 -0.000 0.000 0.207 373 E C -0.777 175.839 176.600 0.027 0.000 1.002 373 E CA -0.202 56.202 56.400 0.006 0.000 0.952 373 E CB 0.642 30.349 29.700 0.013 0.000 1.031 373 E HN 0.209 nan 8.360 nan 0.000 0.476 374 R N 1.144 121.671 120.500 0.045 0.000 3.405 374 R HA -0.232 4.108 4.340 -0.000 0.000 0.258 374 R C -0.187 176.128 176.300 0.026 0.000 1.030 374 R CA 0.885 57.011 56.100 0.042 0.000 0.691 374 R CB -2.324 28.001 30.300 0.041 0.000 1.093 374 R HN 0.336 nan 8.270 nan 0.000 0.448 375 R N -1.756 118.757 120.500 0.021 0.000 2.734 375 R HA 0.407 4.747 4.340 -0.000 0.000 0.271 375 R C -1.202 175.128 176.300 0.049 0.000 1.021 375 R CA -1.138 54.999 56.100 0.062 0.000 0.893 375 R CB 0.615 30.973 30.300 0.096 0.000 1.244 375 R HN 0.005 nan 8.270 nan 0.000 0.464 376 W N 1.313 122.611 121.300 -0.003 0.000 2.193 376 W HA 0.266 4.925 4.660 -0.000 0.000 0.338 376 W C 0.086 176.601 176.519 -0.006 0.000 1.310 376 W CA -0.006 57.331 57.345 -0.014 0.000 1.243 376 W CB 0.482 29.933 29.460 -0.016 0.000 1.165 376 W HN 0.256 nan 8.180 nan 0.000 0.566 377 I N 3.506 124.208 120.570 0.219 0.000 2.406 377 I HA 0.105 4.275 4.170 -0.000 0.000 0.290 377 I C -0.174 176.037 176.117 0.157 0.000 0.999 377 I CA -1.149 60.238 61.300 0.144 0.000 1.124 377 I CB 1.064 39.108 38.000 0.073 0.000 1.289 377 I HN 0.262 nan 8.210 nan 0.000 0.441 378 D N 4.584 125.055 120.400 0.118 0.000 2.399 378 D HA 0.141 4.781 4.640 -0.000 0.000 0.241 378 D C -0.096 176.247 176.300 0.072 0.000 1.133 378 D CA 0.082 54.138 54.000 0.093 0.000 0.890 378 D CB 1.522 42.359 40.800 0.061 0.000 1.201 378 D HN 0.090 nan 8.370 nan 0.000 0.432 379 V N 2.454 122.412 119.914 0.073 0.000 2.320 379 V HA 0.386 4.506 4.120 -0.000 0.000 0.265 379 V C 0.753 176.870 176.094 0.038 0.000 1.048 379 V CA -0.923 61.404 62.300 0.045 0.000 0.865 379 V CB 0.429 32.290 31.823 0.062 0.000 1.043 379 V HN 0.637 nan 8.190 nan 0.000 0.474 380 A N 7.952 130.790 122.820 0.030 0.000 2.466 380 A HA 0.530 4.850 4.320 -0.000 0.000 0.238 380 A C -1.996 175.623 177.584 0.057 0.000 1.074 380 A CA -0.741 51.324 52.037 0.047 0.000 0.774 380 A CB -0.297 18.739 19.000 0.060 0.000 1.015 380 A HN 0.669 nan 8.150 nan 0.000 0.498 381 P HA 0.335 nan 4.420 nan 0.000 0.271 381 P C -0.195 177.161 177.300 0.093 0.000 1.218 381 P CA -0.122 63.018 63.100 0.067 0.000 0.780 381 P CB 0.447 32.178 31.700 0.052 0.000 0.901 382 I N 0.000 120.632 120.570 0.104 0.000 2.984 382 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 382 I CA 0.000 61.378 61.300 0.130 0.000 1.566 382 I CB 0.000 38.090 38.000 0.151 0.000 1.214 382 I HN 0.000 nan 8.210 nan 0.000 0.494