============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 79 rings ring int. center anis. iso. HIS 1 0.900 -5.652 -49.791 -21.388 -99.200 -91.000 PHE 3 1.000 -11.907 -50.801 -25.275 -99.200 -91.000 TYR 24 0.840 -27.030 -52.210 -34.595 -99.200 -91.000 TYR 42 0.840 -25.292 -37.398 -7.427 -99.200 -91.000 HIS 48 0.900 -30.996 -37.455 7.096 -99.200 -91.000 TYR 51 0.840 -37.008 -42.710 -4.728 -99.200 -91.000 TYR 58 0.840 -39.816 -32.669 -12.206 -99.200 -91.000 TYR 78 0.840 -43.378 -40.431 -8.591 -99.200 -91.000 TYR 89 0.840 -44.971 -14.111 -3.038 -99.200 -91.000 TYR 95 0.840 -52.759 -12.732 -6.900 -99.200 -91.000 PHE 97 1.000 -51.788 -21.166 -11.666 -99.200 -91.000 PHE 101 1.000 -48.613 -21.147 -19.939 -99.200 -91.000 TRP 105 1.040 -59.289 -13.484 -13.274 -99.200 -91.000 TRP6 105 1.020 -61.477 -13.962 -14.077 -99.200 -91.000 TYR 110 0.840 -57.068 -14.014 -21.918 -99.200 -91.000 TYR 113 0.840 -50.402 -14.994 -19.202 -99.200 -91.000 TRP 117 1.040 -48.492 -17.496 -22.680 -99.200 -91.000 TRP6 117 1.020 -46.294 -17.333 -21.796 -99.200 -91.000 TRP 133 1.040 -28.186 -23.599 -39.702 -99.200 -91.000 TRP6 133 1.020 -28.087 -25.337 -38.073 -99.200 -91.000 HIS 137 0.900 -38.706 -13.071 -40.827 -99.200 -91.000 TRP 141 1.040 -37.174 -13.566 -35.909 -99.200 -91.000 TRP6 141 1.020 -38.513 -15.473 -36.289 -99.200 -91.000 TRP 155 1.040 -48.778 -0.975 -23.550 -99.200 -91.000 TRP6 155 1.020 -50.563 -0.817 -21.944 -99.200 -91.000 PHE 162 1.000 -46.063 -16.544 -16.419 -99.200 -91.000 TYR 164 0.840 -38.498 -9.375 -18.856 -99.200 -91.000 PHE 166 1.000 -42.370 -20.026 -21.380 -99.200 -91.000 HIS 176 0.900 -28.972 -9.813 -19.374 -99.200 -91.000 TRP 182 1.040 -30.894 -22.135 -28.179 -99.200 -91.000 TRP6 182 1.020 -31.192 -21.673 -25.902 -99.200 -91.000 PHE 183 1.000 -37.172 -19.140 -24.579 -99.200 -91.000 TRP 185 1.040 -34.488 -25.462 -32.619 -99.200 -91.000 TRP6 185 1.020 -33.169 -26.335 -30.856 -99.200 -91.000 TYR 186 0.840 -34.548 -25.496 -24.737 -99.200 -91.000 PHE 197 1.000 -44.845 -22.361 -17.246 -99.200 -91.000 PHE 208 1.000 -37.643 -41.739 -15.588 -99.200 -91.000 HIS 231 0.900 -10.274 -44.333 -16.203 -99.200 -91.000 HIS 235 0.900 -4.062 -34.355 -23.866 -99.200 -91.000 HIS 250 0.900 -0.724 -37.756 -17.539 -99.200 -91.000 HIS 252 0.900 -1.666 -42.347 -23.379 -99.200 -91.000 TYR 253 0.840 -8.387 -46.154 -21.720 -99.200 -91.000 TYR 257 0.840 -15.990 -45.186 -36.923 -99.200 -91.000 HIS 271 0.900 -5.317 -29.719 -24.187 -99.200 -91.000 PHE 272 1.000 -11.755 -32.852 -29.533 -99.200 -91.000 TYR 298 0.840 -36.597 -34.322 1.514 -99.200 -91.000 TYR 299 0.840 -41.532 -28.297 4.959 -99.200 -91.000 PHE 303 1.000 -46.361 -26.828 4.938 -99.200 -91.000 TRP 304 1.040 -47.488 -29.502 -0.246 -99.200 -91.000 TRP6 304 1.020 -45.597 -29.907 1.105 -99.200 -91.000 TYR 309 0.840 -52.319 -22.780 -1.368 -99.200 -91.000 PHE 341 1.000 -35.700 -27.004 -10.807 -99.200 -91.000 HIS 354 0.900 -21.616 -19.080 5.529 -99.200 -91.000 TYR 366 0.840 -40.474 -23.456 -0.402 -99.200 -91.000 HIS 377 0.900 -41.579 -24.837 12.898 -99.200 -91.000 HIS 380 0.900 -32.185 -34.107 4.960 -99.200 -91.000 TYR 381 0.840 -31.829 -26.676 1.764 -99.200 -91.000 TRP 386 1.040 -27.340 -29.691 -10.638 -99.200 -91.000 TRP6 386 1.020 -26.252 -31.679 -11.304 -99.200 -91.000 TYR 391 0.840 -15.087 -33.780 -14.166 -99.200 -91.000 TYR 396 0.840 -33.687 -26.696 -16.439 -99.200 -91.000 TYR 399 0.840 -26.629 -18.804 -21.671 -99.200 -91.000 PHE 400 1.000 -26.741 -22.359 -29.944 -99.200 -91.000 TYR 408 0.840 -18.643 -18.538 -34.457 -99.200 -91.000 PHE 420 1.000 -19.236 -40.141 -36.587 -99.200 -91.000 PHE 421 1.000 -18.112 -33.487 -32.033 -99.200 -91.000 TRP 430 1.040 -39.378 -33.292 -25.562 -99.200 -91.000 TRP6 430 1.020 -40.433 -31.789 -24.045 -99.200 -91.000 TYR 433 0.840 -36.603 -30.574 -21.627 -99.200 -91.000 TRP 461 1.040 -30.614 -38.196 -38.744 -99.200 -91.000 TRP6 461 1.020 -30.464 -36.668 -36.928 -99.200 -91.000 HIS 477 0.900 -52.784 -23.429 -28.250 -99.200 -91.000 PHE 479 1.000 -63.627 -18.225 -32.298 -99.200 -91.000 TRP 480 1.040 -63.673 -17.101 -26.951 -99.200 -91.000 TRP6 480 1.020 -64.508 -15.178 -28.049 -99.200 -91.000 PHE 496 1.000 -62.619 -1.495 -40.586 -99.200 -91.000 PHE 505 1.000 -74.477 10.065 -34.088 -99.200 -91.000 TYR 508 0.840 -80.071 7.933 -36.749 -99.200 -91.000 TYR 510 0.840 -75.683 15.152 -43.586 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2z5yA1 HIS 12 HA 0.34 -0.01 0.13 -0.75 4.63 4.34 2z5yA1 HIS 12 HB2 0.04 -0.05 0.07 -0.04 3.26 3.28 2z5yA1 HIS 12 HB3 0.11 0.01 0.26 -0.04 3.20 3.53 2z5yA1 HIS 12 HD2 0.25 0.00 0.04 -0.04 6.97 7.21 2z5yA1 HIS 12 HE1 -0.03 -0.06 0.05 -0.04 7.75 7.66 2z5yA1 MET 13 H -0.19 0.20 0.12 -0.55 8.47 8.06 2z5yA1 MET 13 HA 0.09 0.21 0.88 -0.75 4.52 4.95 2z5yA1 MET 13 HB2 -0.05 -0.03 0.06 -0.04 2.15 2.09 2z5yA1 MET 13 HB3 -0.12 -0.03 -0.01 -0.04 2.03 1.83 2z5yA1 MET 13 HG2 0.03 -0.02 -0.05 -0.04 2.63 2.55 2z5yA1 MET 13 HG3 -0.01 -0.06 -0.06 -0.04 2.56 2.40 2z5yA1 MET 13 HE3 0.05 -0.03 -0.21 -0.04 2.10 1.88 2z5yA1 PHE 14 H 0.20 0.58 0.29 -0.55 8.34 8.86 2z5yA1 PHE 14 HA 0.04 0.10 0.77 -0.75 4.62 4.78 2z5yA1 PHE 14 HB2 0.04 0.03 -0.24 -0.04 3.15 2.93 2z5yA1 PHE 14 HB3 0.02 -0.03 -0.19 -0.04 3.06 2.83 2z5yA1 PHE 14 HD2 0.05 0.01 -0.31 -0.04 7.28 6.99 2z5yA1 PHE 14 HE2 0.09 -0.00 -0.17 -0.04 7.38 7.26 2z5yA1 PHE 14 HZ 0.05 -0.00 -0.09 -0.04 7.32 7.24 2z5yA1 ASP 15 H 0.18 0.16 0.19 -0.55 8.40 8.38 2z5yA1 ASP 15 HA 0.14 0.05 0.70 -0.75 4.63 4.77 2z5yA1 ASP 15 HB2 0.10 0.20 0.29 -0.04 2.71 3.27 2z5yA1 ASP 15 HB3 0.12 0.01 0.08 -0.04 2.70 2.87 2z5yA1 VAL 16 H 0.14 0.57 0.22 -0.55 8.24 8.63 2z5yA1 VAL 16 HA 0.14 0.32 0.95 -0.75 4.13 4.78 2z5yA1 VAL 16 HB 0.01 -0.06 -0.07 -0.04 2.12 1.97 2z5yA1 VAL 16 HG13 0.03 -0.00 -0.30 -0.04 0.97 0.65 2z5yA1 VAL 16 HG23 0.01 0.02 -0.21 -0.04 0.95 0.73 2z5yA1 VAL 17 H 0.05 0.55 0.30 -0.55 8.24 8.59 2z5yA1 VAL 17 HA -0.16 0.20 0.83 -0.75 4.13 4.25 2z5yA1 VAL 17 HB 0.01 -0.02 0.06 -0.04 2.12 2.12 2z5yA1 VAL 17 HG13 -0.12 -0.01 -0.25 -0.04 0.97 0.55 2z5yA1 VAL 17 HG23 -0.08 0.00 -0.19 -0.04 0.95 0.64 2z5yA1 VAL 18 H -0.13 0.82 0.27 -0.55 8.24 8.65 2z5yA1 VAL 18 HA -0.04 0.19 1.02 -0.75 4.13 4.54 2z5yA1 VAL 18 HB -0.08 -0.06 0.10 -0.04 2.12 2.04 2z5yA1 VAL 18 HG13 -0.03 0.04 -0.08 -0.04 0.97 0.85 2z5yA1 VAL 18 HG23 -0.05 -0.00 -0.18 -0.04 0.95 0.68 2z5yA1 ILE 19 H -0.03 0.66 0.29 -0.55 8.25 8.61 2z5yA1 ILE 19 HA -0.06 0.14 0.91 -0.75 4.18 4.41 2z5yA1 ILE 19 HB 0.00 -0.13 0.28 -0.04 1.89 1.99 2z5yA1 ILE 19 HG12 -0.03 0.02 -0.09 -0.04 1.49 1.35 2z5yA1 ILE 19 HG13 -0.01 0.09 -0.07 -0.04 1.21 1.17 2z5yA1 ILE 19 HG23 -0.01 -0.01 -0.08 -0.04 0.93 0.79 2z5yA1 ILE 19 HD13 0.01 0.00 -0.09 -0.04 0.88 0.76 2z5yA1 GLY 20 H -0.06 0.86 0.27 -0.55 8.43 8.95 2z5yA1 GLY 20 HA2 -0.04 -0.14 0.50 -0.51 4.01 3.82 2z5yA1 GLY 20 HA3 -0.01 0.14 0.65 -0.51 4.01 4.29 2z5yA1 GLY 21 H -0.05 0.08 0.08 -0.55 8.43 7.99 2z5yA1 GLY 21 HA2 -0.04 0.26 0.72 -0.51 4.01 4.44 2z5yA1 GLY 21 HA3 -0.05 0.07 0.29 -0.51 4.01 3.81 2z5yA1 GLY 22 H 0.00 0.22 -0.24 -0.55 8.43 7.87 2z5yA1 GLY 22 HA2 0.02 0.02 0.57 -0.51 4.01 4.11 2z5yA1 GLY 22 HA3 0.03 0.07 0.31 -0.51 4.01 3.91 2z5yA1 ILE 23 H 0.02 0.22 0.11 -0.55 8.25 8.05 2z5yA1 ILE 23 HA 0.00 0.14 0.40 -0.75 4.18 3.97 2z5yA1 ILE 23 HB 0.03 -0.06 0.12 -0.04 1.89 1.94 2z5yA1 ILE 23 HG12 -0.01 0.05 -0.02 -0.04 1.49 1.48 2z5yA1 ILE 23 HG13 0.02 -0.02 0.11 -0.04 1.21 1.28 2z5yA1 ILE 23 HG23 0.02 0.03 -0.16 -0.04 0.93 0.79 2z5yA1 ILE 23 HD13 0.03 0.02 0.03 -0.04 0.88 0.92 2z5yA1 SER 24 H 0.04 0.03 -0.19 -0.55 8.46 7.79 2z5yA1 SER 24 HA 0.04 0.33 0.30 -0.75 4.49 4.40 2z5yA1 SER 24 HB2 0.07 -0.16 0.18 -0.04 3.95 3.99 2z5yA1 SER 24 HB3 0.05 0.13 0.11 -0.04 3.93 4.19 2z5yA1 GLY 25 H 0.01 -0.03 -0.28 -0.55 8.43 7.58 2z5yA1 GLY 25 HA2 -0.01 0.06 0.20 -0.51 4.01 3.75 2z5yA1 GLY 25 HA3 -0.01 0.41 0.31 -0.51 4.01 4.21 2z5yA1 LEU 26 H -0.01 0.50 -0.20 -0.55 8.37 8.12 2z5yA1 LEU 26 HA -0.03 0.09 0.36 -0.75 4.35 4.01 2z5yA1 LEU 26 HB2 -0.02 -0.03 -0.01 -0.04 1.64 1.54 2z5yA1 LEU 26 HB3 -0.03 0.02 -0.07 -0.04 1.64 1.52 2z5yA1 LEU 26 HG -0.03 -0.06 -0.09 -0.04 1.64 1.42 2z5yA1 LEU 26 HD13 -0.03 -0.00 -0.09 -0.04 0.93 0.78 2z5yA1 LEU 26 HD23 -0.05 0.01 -0.14 -0.04 0.89 0.68 2z5yA1 SER 27 H -0.01 0.54 -0.14 -0.55 8.46 8.30 2z5yA1 SER 27 HA -0.01 0.02 0.47 -0.75 4.49 4.21 2z5yA1 SER 27 HB2 0.00 0.07 0.02 -0.04 3.95 4.00 2z5yA1 SER 27 HB3 -0.00 -0.02 0.01 -0.04 3.93 3.88 2z5yA1 ALA 28 H -0.02 0.42 -0.36 -0.55 8.40 7.90 2z5yA1 ALA 28 HA -0.05 0.06 0.27 -0.75 4.34 3.87 2z5yA1 ALA 28 HB3 -0.04 0.01 0.08 -0.04 1.41 1.42 2z5yA1 ALA 29 H -0.03 0.55 -0.10 -0.55 8.40 8.26 2z5yA1 ALA 29 HA -0.04 0.00 0.23 -0.75 4.34 3.78 2z5yA1 ALA 29 HB3 -0.05 0.01 -0.00 -0.04 1.41 1.33 2z5yA1 LYS 30 H -0.02 0.68 -0.13 -0.55 8.42 8.39 2z5yA1 LYS 30 HA -0.01 0.06 0.42 -0.75 4.32 4.03 2z5yA1 LYS 30 HB2 -0.02 -0.03 0.04 -0.04 1.87 1.82 2z5yA1 LYS 30 HB3 -0.01 0.02 0.12 -0.04 1.79 1.88 2z5yA1 LYS 30 HG2 -0.00 0.01 -0.26 -0.04 1.46 1.17 2z5yA1 LYS 30 HG3 -0.01 0.01 -0.01 -0.04 1.46 1.41 2z5yA1 LYS 30 HD2 -0.02 -0.04 -0.05 -0.04 1.69 1.54 2z5yA1 LYS 30 HD3 -0.01 -0.04 -0.06 -0.04 1.68 1.52 2z5yA1 LYS 30 HE2 -0.02 0.03 -0.05 -0.04 2.99 2.91 2z5yA1 LYS 30 HE3 -0.02 0.01 -0.07 -0.04 2.99 2.87 2z5yA1 LEU 31 H -0.01 0.55 -0.17 -0.55 8.37 8.20 2z5yA1 LEU 31 HA 0.06 0.01 0.37 -0.75 4.35 4.03 2z5yA1 LEU 31 HB2 0.01 -0.04 0.09 -0.04 1.64 1.66 2z5yA1 LEU 31 HB3 -0.02 0.08 0.13 -0.04 1.64 1.78 2z5yA1 LEU 31 HG 0.01 0.01 -0.25 -0.04 1.64 1.37 2z5yA1 LEU 31 HD13 0.21 -0.01 -0.00 -0.04 0.93 1.08 2z5yA1 LEU 31 HD23 -0.04 -0.01 0.01 -0.04 0.89 0.81 2z5yA1 LEU 32 H -0.01 0.62 -0.14 -0.55 8.37 8.29 2z5yA1 LEU 32 HA -0.02 0.01 0.25 -0.75 4.35 3.84 2z5yA1 LEU 32 HB2 -0.02 0.05 0.00 -0.04 1.64 1.63 2z5yA1 LEU 32 HB3 -0.02 -0.05 -0.13 -0.04 1.64 1.40 2z5yA1 LEU 32 HG -0.09 0.06 0.00 -0.04 1.64 1.57 2z5yA1 LEU 32 HD13 -0.07 -0.03 -0.21 -0.04 0.93 0.58 2z5yA1 LEU 32 HD23 -0.19 0.01 -0.08 -0.04 0.89 0.59 2z5yA1 THR 33 H 0.02 0.57 -0.24 -0.55 8.28 8.08 2z5yA1 THR 33 HA 0.03 0.12 0.41 -0.75 4.39 4.20 2z5yA1 THR 33 HB 0.01 0.15 0.19 -0.04 4.32 4.63 2z5yA1 THR 33 HG23 0.01 -0.02 -0.04 -0.04 1.22 1.12 2z5yA1 GLU 34 H 0.06 0.42 -0.35 -0.55 8.60 8.18 2z5yA1 GLU 34 HA -0.02 0.00 0.34 -0.75 4.29 3.86 2z5yA1 GLU 34 HB2 0.07 0.20 0.18 -0.04 2.09 2.50 2z5yA1 GLU 34 HB3 -0.08 -0.09 0.07 -0.04 1.99 1.86 2z5yA1 GLU 34 HG2 -0.03 -0.06 0.04 -0.04 2.34 2.26 2z5yA1 GLU 34 HG3 0.00 0.12 0.04 -0.04 2.34 2.47 2z5yA1 TYR 35 H 0.19 0.51 -0.54 -0.55 8.29 7.89 2z5yA1 TYR 35 HA -0.02 0.08 0.58 -0.75 4.56 4.45 2z5yA1 TYR 35 HB2 -0.04 0.17 0.09 -0.04 3.06 3.25 2z5yA1 TYR 35 HB3 -0.03 -0.06 0.08 -0.04 2.98 2.92 2z5yA1 TYR 35 HD2 -0.03 0.14 -0.02 -0.04 7.15 7.19 2z5yA1 TYR 35 HE2 -0.03 0.03 -0.04 -0.04 6.85 6.76 2z5yA1 GLY 36 H 0.05 0.53 -0.27 -0.55 8.43 8.20 2z5yA1 GLY 36 HA2 0.03 0.02 0.26 -0.51 4.01 3.81 2z5yA1 GLY 36 HA3 0.03 0.02 0.44 -0.51 4.01 4.00 2z5yA1 VAL 37 H 0.07 0.37 -0.08 -0.55 8.24 8.04 2z5yA1 VAL 37 HA 0.05 0.07 0.65 -0.75 4.13 4.15 2z5yA1 VAL 37 HB 0.02 0.05 -0.08 -0.04 2.12 2.07 2z5yA1 VAL 37 HG13 0.02 -0.01 -0.16 -0.04 0.97 0.77 2z5yA1 VAL 37 HG23 0.02 0.02 -0.20 -0.04 0.95 0.75 2z5yA1 SER 38 H 0.07 0.11 0.20 -0.55 8.46 8.29 2z5yA1 SER 38 HA 0.11 0.16 0.72 -0.75 4.49 4.73 2z5yA1 SER 38 HB2 0.26 0.10 0.09 -0.04 3.95 4.36 2z5yA1 SER 38 HB3 0.08 0.08 0.14 -0.04 3.93 4.20 2z5yA1 VAL 39 H 0.11 0.32 0.23 -0.55 8.24 8.36 2z5yA1 VAL 39 HA 0.02 0.28 1.06 -0.75 4.13 4.74 2z5yA1 VAL 39 HB -0.04 0.00 -0.12 -0.04 2.12 1.92 2z5yA1 VAL 39 HG13 -0.06 -0.03 -0.24 -0.04 0.97 0.60 2z5yA1 VAL 39 HG23 0.01 0.05 -0.27 -0.04 0.95 0.69 2z5yA1 LEU 40 H -0.29 0.56 0.32 -0.55 8.37 8.41 2z5yA1 LEU 40 HA -0.45 0.33 1.02 -0.75 4.35 4.49 2z5yA1 LEU 40 HB2 -2.05 0.02 -0.06 -0.04 1.64 -0.50 2z5yA1 LEU 40 HB3 -0.70 -0.09 0.14 -0.04 1.64 0.94 2z5yA1 LEU 40 HG -0.60 -0.02 -0.42 -0.04 1.64 0.56 2z5yA1 LEU 40 HD13 -0.53 0.05 -0.03 -0.04 0.93 0.38 2z5yA1 LEU 40 HD23 -1.04 -0.02 -0.14 -0.04 0.89 -0.34 2z5yA1 VAL 41 H -0.22 0.91 0.30 -0.55 8.24 8.67 2z5yA1 VAL 41 HA -0.16 0.18 0.97 -0.75 4.13 4.36 2z5yA1 VAL 41 HB -0.13 -0.01 0.16 -0.04 2.12 2.10 2z5yA1 VAL 41 HG13 -0.09 -0.03 -0.36 -0.04 0.97 0.45 2z5yA1 VAL 41 HG23 -0.09 0.01 -0.13 -0.04 0.95 0.70 2z5yA1 LEU 42 H -0.17 0.82 0.28 -0.55 8.37 8.76 2z5yA1 LEU 42 HA -0.24 0.22 0.91 -0.75 4.35 4.50 2z5yA1 LEU 42 HB2 -0.14 -0.07 0.16 -0.04 1.64 1.56 2z5yA1 LEU 42 HB3 -0.11 0.15 -0.01 -0.04 1.64 1.63 2z5yA1 LEU 42 HG -0.40 -0.00 -0.30 -0.04 1.64 0.90 2z5yA1 LEU 42 HD13 -0.19 -0.01 -0.18 -0.04 0.93 0.52 2z5yA1 LEU 42 HD23 -0.70 0.03 -0.10 -0.04 0.89 0.08 2z5yA1 GLU 43 H -0.10 0.85 0.24 -0.55 8.60 9.04 2z5yA1 GLU 43 HA -0.10 -0.10 0.87 -0.75 4.29 4.21 2z5yA1 GLU 43 HB2 -0.08 -0.06 -0.18 -0.04 2.09 1.73 2z5yA1 GLU 43 HB3 -0.09 0.22 -0.07 -0.04 1.99 2.01 2z5yA1 GLU 43 HG2 -0.07 0.03 -0.14 -0.04 2.34 2.12 2z5yA1 GLU 43 HG3 -0.10 0.13 -0.21 -0.04 2.34 2.13 2z5yA1 ALA 44 H -0.20 0.06 0.17 -0.55 8.40 7.89 2z5yA1 ALA 44 HA -0.26 0.07 0.02 -0.75 4.34 3.42 2z5yA1 ALA 44 HB3 -0.85 0.01 0.07 -0.04 1.41 0.61 2z5yA1 ARG 45 H -0.26 0.01 0.03 -0.55 8.46 7.68 2z5yA1 ARG 45 HA -0.17 0.17 0.62 -0.75 4.34 4.21 2z5yA1 ARG 45 HB2 -0.11 0.20 0.12 -0.04 1.90 2.07 2z5yA1 ARG 45 HB3 -0.09 -0.02 0.13 -0.04 1.80 1.78 2z5yA1 ARG 45 HG2 -0.02 0.04 0.01 -0.04 1.67 1.66 2z5yA1 ARG 45 HG3 -0.11 -0.06 0.06 -0.04 1.67 1.52 2z5yA1 ARG 45 HD2 -0.08 0.05 -0.03 -0.04 3.22 3.12 2z5yA1 ARG 45 HD3 0.06 -0.00 -0.02 -0.04 3.22 3.22 2z5yA1 ASP 46 H -0.06 0.17 0.14 -0.55 8.40 8.11 2z5yA1 ASP 46 HA -0.03 0.12 0.59 -0.75 4.63 4.55 2z5yA1 ASP 46 HB2 -0.01 0.05 0.22 -0.04 2.71 2.92 2z5yA1 ASP 46 HB3 -0.02 0.05 0.14 -0.04 2.70 2.83 2z5yA1 ARG 47 H -0.08 0.20 -0.57 -0.55 8.46 7.47 2z5yA1 ARG 47 HA -0.03 0.11 0.43 -0.75 4.34 4.09 2z5yA1 ARG 47 HB2 -0.06 0.10 0.08 -0.04 1.90 1.98 2z5yA1 ARG 47 HB3 -0.05 0.14 -0.04 -0.04 1.80 1.80 2z5yA1 ARG 47 HG2 -0.16 -0.13 -0.20 -0.04 1.67 1.14 2z5yA1 ARG 47 HG3 -0.15 -0.08 -0.25 -0.04 1.67 1.15 2z5yA1 ARG 47 HD2 -0.40 0.10 -0.07 -0.04 3.22 2.81 2z5yA1 ARG 47 HD3 -0.54 0.01 -0.09 -0.04 3.22 2.56 2z5yA1 VAL 48 H -0.03 0.18 0.09 -0.55 8.24 7.93 2z5yA1 VAL 48 HA -0.04 0.09 0.86 -0.75 4.13 4.29 2z5yA1 VAL 48 HB -0.02 0.06 0.04 -0.04 2.12 2.16 2z5yA1 VAL 48 HG13 -0.04 0.00 -0.05 -0.04 0.97 0.84 2z5yA1 VAL 48 HG23 -0.01 0.03 -0.29 -0.04 0.95 0.64 2z5yA1 GLY 49 H -0.00 0.61 0.32 -0.55 8.43 8.80 2z5yA1 GLY 49 HA2 0.02 -0.11 0.40 -0.51 4.01 3.81 2z5yA1 GLY 49 HA3 0.05 0.31 0.87 -0.51 4.01 4.73 2z5yA1 GLY 50 H 0.02 0.16 -0.22 -0.55 8.43 7.85 2z5yA1 GLY 50 HA2 0.10 0.08 0.30 -0.51 4.01 3.97 2z5yA1 GLY 50 HA3 0.07 -0.11 0.35 -0.51 4.01 3.81 2z5yA1 ARG 51 H 0.02 0.05 0.30 -0.55 8.46 8.28 2z5yA1 ARG 51 HA -0.30 0.18 0.60 -0.75 4.34 4.07 2z5yA1 ARG 51 HB2 -0.12 -0.07 0.19 -0.04 1.90 1.87 2z5yA1 ARG 51 HB3 -0.45 -0.02 0.22 -0.04 1.80 1.51 2z5yA1 ARG 51 HG2 -0.21 0.05 0.05 -0.04 1.67 1.52 2z5yA1 ARG 51 HG3 0.04 -0.08 0.04 -0.04 1.67 1.63 2z5yA1 ARG 51 HD2 -0.07 0.07 0.16 -0.04 3.22 3.33 2z5yA1 ARG 51 HD3 -0.01 0.26 0.11 -0.04 3.22 3.54 2z5yA1 THR 52 H 0.04 0.50 -0.06 -0.55 8.28 8.22 2z5yA1 THR 52 HA 0.04 0.03 0.92 -0.75 4.39 4.63 2z5yA1 THR 52 HB 0.09 -0.05 -0.16 -0.04 4.32 4.16 2z5yA1 THR 52 HG23 0.02 -0.01 0.01 -0.04 1.22 1.19 2z5yA1 TYR 53 H 0.30 0.12 -0.02 -0.55 8.29 8.14 2z5yA1 TYR 53 HA 0.14 0.14 0.55 -0.75 4.56 4.64 2z5yA1 TYR 53 HB2 0.40 0.19 -0.44 -0.04 3.06 3.17 2z5yA1 TYR 53 HB3 0.42 -0.07 -0.10 -0.04 2.98 3.19 2z5yA1 TYR 53 HD2 0.07 -0.03 -0.10 -0.04 7.15 7.05 2z5yA1 TYR 53 HE2 0.01 0.04 -0.08 -0.04 6.85 6.77 2z5yA1 THR 54 H 0.30 0.25 0.07 -0.55 8.28 8.35 2z5yA1 THR 54 HA 0.08 0.25 0.81 -0.75 4.39 4.78 2z5yA1 THR 54 HB 0.10 0.06 0.13 -0.04 4.32 4.57 2z5yA1 THR 54 HG23 0.13 0.10 -0.21 -0.04 1.22 1.19 2z5yA1 ILE 55 H -0.07 0.63 0.27 -0.55 8.25 8.53 2z5yA1 ILE 55 HA -0.14 0.10 0.65 -0.75 4.18 4.03 2z5yA1 ILE 55 HB -0.15 0.06 0.07 -0.04 1.89 1.84 2z5yA1 ILE 55 HG12 -0.38 0.04 -0.04 -0.04 1.49 1.07 2z5yA1 ILE 55 HG13 -1.12 -0.07 -0.23 -0.04 1.21 -0.25 2z5yA1 ILE 55 HG23 -0.05 -0.01 -0.25 -0.04 0.93 0.58 2z5yA1 ILE 55 HD13 -0.27 0.01 -0.07 -0.04 0.88 0.51 2z5yA1 ARG 56 H 0.02 0.22 0.14 -0.55 8.46 8.28 2z5yA1 ARG 56 HA 0.05 0.25 0.89 -0.75 4.34 4.78 2z5yA1 ARG 56 HB2 0.04 -0.05 0.15 -0.04 1.90 2.00 2z5yA1 ARG 56 HB3 0.05 0.09 0.09 -0.04 1.80 1.99 2z5yA1 ARG 56 HG2 0.12 0.07 -0.04 -0.04 1.67 1.77 2z5yA1 ARG 56 HG3 0.07 -0.05 -0.43 -0.04 1.67 1.21 2z5yA1 ARG 56 HD2 0.04 -0.03 -0.01 -0.04 3.22 3.18 2z5yA1 ARG 56 HD3 0.04 0.02 -0.01 -0.04 3.22 3.23 2z5yA1 ASN 57 H -0.00 0.28 -0.01 -0.55 8.53 8.24 2z5yA1 ASN 57 HA -0.01 0.18 0.23 -0.75 4.76 4.40 2z5yA1 ASN 57 HB2 0.02 -0.14 0.22 -0.04 2.88 2.94 2z5yA1 ASN 57 HB3 0.02 0.20 0.14 -0.04 2.79 3.11 2z5yA1 ASN 57 HD21 0.04 0.05 -0.19 -0.04 7.03 6.89 2z5yA1 ASN 57 HD22 0.03 0.07 -0.23 -0.04 7.74 7.56 2z5yA1 GLU 58 H -0.11 0.19 0.16 -0.55 8.60 8.30 2z5yA1 GLU 58 HA -0.10 0.16 0.41 -0.75 4.29 4.00 2z5yA1 GLU 58 HB2 -0.17 0.06 0.08 -0.04 2.09 2.03 2z5yA1 GLU 58 HB3 -0.13 0.03 0.10 -0.04 1.99 1.95 2z5yA1 GLU 58 HG2 -0.24 0.05 0.05 -0.04 2.34 2.15 2z5yA1 GLU 58 HG3 -0.45 -0.14 0.13 -0.04 2.34 1.84 2z5yA1 HIS 59 H -0.23 0.03 -0.07 -0.55 8.41 7.59 2z5yA1 HIS 59 HA -0.26 0.16 0.39 -0.75 4.63 4.16 2z5yA1 HIS 59 HB2 -1.00 -0.02 -0.16 -0.04 3.26 2.04 2z5yA1 HIS 59 HB3 -0.93 0.07 0.01 -0.04 3.20 2.32 2z5yA1 HIS 59 HD2 -0.14 0.10 0.02 -0.04 6.97 6.90 2z5yA1 HIS 59 HE1 0.00 0.01 0.02 -0.04 7.75 7.74 2z5yA1 VAL 60 H -0.17 0.01 -0.59 -0.55 8.24 6.94 2z5yA1 VAL 60 HA -0.40 0.28 0.82 -0.75 4.13 4.07 2z5yA1 VAL 60 HB -0.07 0.10 -0.22 -0.04 2.12 1.88 2z5yA1 VAL 60 HG13 -0.47 -0.02 -0.35 -0.04 0.97 0.09 2z5yA1 VAL 60 HG23 -0.04 -0.03 -0.48 -0.04 0.95 0.35 2z5yA1 ASP 61 H -0.10 0.11 -0.10 -0.55 8.40 7.77 2z5yA1 ASP 61 HA -0.00 0.04 0.43 -0.75 4.63 4.35 2z5yA1 ASP 61 HB2 -0.04 -0.02 0.01 -0.04 2.71 2.62 2z5yA1 ASP 61 HB3 -0.14 0.19 0.57 -0.04 2.70 3.28 2z5yA1 TYR 62 H -0.27 0.48 0.12 -0.55 8.29 8.06 2z5yA1 TYR 62 HA 0.01 0.26 0.49 -0.75 4.56 4.57 2z5yA1 TYR 62 HB2 0.04 -0.04 -0.06 -0.04 3.06 2.96 2z5yA1 TYR 62 HB3 0.02 0.06 -0.04 -0.04 2.98 2.98 2z5yA1 TYR 62 HD2 0.04 -0.03 -0.28 -0.04 7.15 6.84 2z5yA1 TYR 62 HE2 0.07 0.05 0.01 -0.04 6.85 6.94 2z5yA1 VAL 63 H 0.14 0.48 0.15 -0.55 8.24 8.45 2z5yA1 VAL 63 HA 0.10 0.10 0.50 -0.75 4.13 4.07 2z5yA1 VAL 63 HB 0.10 0.20 -0.19 -0.04 2.12 2.19 2z5yA1 VAL 63 HG13 0.07 -0.03 -0.20 -0.04 0.97 0.77 2z5yA1 VAL 63 HG23 0.10 0.04 -0.13 -0.04 0.95 0.92 2z5yA1 ASP 64 H 0.12 0.19 0.10 -0.55 8.40 8.26 2z5yA1 ASP 64 HA 0.11 0.08 0.88 -0.75 4.63 4.94 2z5yA1 ASP 64 HB2 0.01 0.06 0.15 -0.04 2.71 2.89 2z5yA1 ASP 64 HB3 0.05 0.18 -0.12 -0.04 2.70 2.77 2z5yA1 VAL 65 H 0.13 0.68 0.37 -0.55 8.24 8.87 2z5yA1 VAL 65 HA 0.20 0.19 0.77 -0.75 4.13 4.54 2z5yA1 VAL 65 HB 0.18 -0.03 0.05 -0.04 2.12 2.28 2z5yA1 VAL 65 HG13 -0.00 0.01 -0.19 -0.04 0.97 0.75 2z5yA1 VAL 65 HG23 0.06 0.02 -0.11 -0.04 0.95 0.88 2z5yA1 GLY 66 H 0.25 -0.03 -0.03 -0.55 8.43 8.07 2z5yA1 GLY 66 HA2 -0.13 0.19 0.79 -0.51 4.01 4.35 2z5yA1 GLY 66 HA3 0.04 0.06 0.39 -0.51 4.01 3.99 2z5yA1 GLY 67 H -0.17 0.51 0.35 -0.55 8.43 8.57 2z5yA1 GLY 67 HA2 -0.09 0.06 0.47 -0.51 4.01 3.95 2z5yA1 GLY 67 HA3 -0.08 -0.03 0.35 -0.51 4.01 3.74 2z5yA1 ALA 68 H -0.17 0.04 0.28 -0.55 8.40 8.00 2z5yA1 ALA 68 HA -0.09 0.01 0.91 -0.75 4.34 4.42 2z5yA1 ALA 68 HB3 -0.50 0.03 0.02 -0.04 1.41 0.92 2z5yA1 TYR 69 H -0.23 -0.04 0.25 -0.55 8.29 7.73 2z5yA1 TYR 69 HA -0.24 0.41 0.72 -0.75 4.56 4.69 2z5yA1 TYR 69 HB2 -0.10 -0.07 0.14 -0.04 3.06 2.99 2z5yA1 TYR 69 HB3 -0.16 0.15 0.19 -0.04 2.98 3.12 2z5yA1 TYR 69 HD2 -0.10 0.10 -0.01 -0.04 7.15 7.09 2z5yA1 TYR 69 HE2 -0.04 0.01 -0.05 -0.04 6.85 6.73 2z5yA1 VAL 70 H -0.24 0.59 0.29 -0.55 8.24 8.33 2z5yA1 VAL 70 HA -0.28 0.11 0.83 -0.75 4.13 4.03 2z5yA1 VAL 70 HB -0.26 -0.06 0.06 -0.04 2.12 1.82 2z5yA1 VAL 70 HG13 -0.36 0.00 -0.33 -0.04 0.97 0.23 2z5yA1 VAL 70 HG23 -0.45 0.00 -0.27 -0.04 0.95 0.18 2z5yA1 GLY 71 H -0.41 0.14 0.17 -0.55 8.43 7.78 2z5yA1 GLY 71 HA2 -0.19 0.06 0.49 -0.51 4.01 3.86 2z5yA1 GLY 71 HA3 -0.23 0.40 0.38 -0.51 4.01 4.05 2z5yA1 PRO 72 HA -0.06 0.09 0.29 -0.51 4.44 4.25 2z5yA1 PRO 72 HB2 0.00 0.11 -0.15 -0.04 2.28 2.21 2z5yA1 PRO 72 HB3 -0.01 0.03 -0.19 -0.04 2.02 1.80 2z5yA1 PRO 72 HG2 -0.03 -0.03 0.05 -0.04 2.03 1.97 2z5yA1 PRO 72 HG3 -0.04 0.10 0.00 -0.04 2.03 2.04 2z5yA1 PRO 72 HD2 -0.08 0.32 0.05 -0.04 3.68 3.93 2z5yA1 PRO 72 HD3 -0.10 0.07 0.18 -0.04 3.65 3.77 2z5yA1 THR 73 H -0.00 0.13 0.10 -0.55 8.28 7.96 2z5yA1 THR 73 HA 0.06 -0.03 0.35 -0.75 4.39 4.02 2z5yA1 THR 73 HB 0.21 -0.04 0.16 -0.04 4.32 4.61 2z5yA1 THR 73 HG23 0.08 0.00 -0.13 -0.04 1.22 1.14 2z5yA1 GLN 74 H -0.17 0.49 -0.35 -0.55 8.47 7.89 2z5yA1 GLN 74 HA -0.19 0.12 0.70 -0.75 4.36 4.23 2z5yA1 GLN 74 HB2 -0.36 0.14 0.24 -0.04 2.15 2.13 2z5yA1 GLN 74 HB3 -0.39 -0.21 0.19 -0.04 2.02 1.57 2z5yA1 GLN 74 HG2 -2.17 0.01 -0.08 -0.04 2.40 0.13 2z5yA1 GLN 74 HG3 -1.02 0.32 -0.16 -0.04 2.39 1.48 2z5yA1 GLN 74 HE21 -1.18 0.07 0.06 -0.04 6.97 5.87 2z5yA1 GLN 74 HE22 -4.45 0.10 -0.01 -0.04 7.69 3.30 2z5yA1 ASN 75 H 0.02 0.45 -0.21 -0.55 8.53 8.24 2z5yA1 ASN 75 HA -0.01 0.04 0.09 -0.75 4.76 4.13 2z5yA1 ASN 75 HB2 0.03 0.06 -0.00 -0.04 2.88 2.93 2z5yA1 ASN 75 HB3 0.02 0.26 -0.04 -0.04 2.79 2.98 2z5yA1 ASN 75 HD21 0.03 -0.04 0.03 -0.04 7.03 7.01 2z5yA1 ASN 75 HD22 0.04 0.16 -0.07 -0.04 7.74 7.83 2z5yA1 ARG 76 H 0.02 0.09 -0.18 -0.55 8.46 7.84 2z5yA1 ARG 76 HA 0.03 0.17 0.38 -0.75 4.34 4.16 2z5yA1 ARG 76 HB2 0.04 -0.04 0.08 -0.04 1.90 1.94 2z5yA1 ARG 76 HB3 0.04 0.05 -0.08 -0.04 1.80 1.77 2z5yA1 ARG 76 HG2 0.05 0.08 -0.04 -0.04 1.67 1.72 2z5yA1 ARG 76 HG3 0.06 -0.07 0.03 -0.04 1.67 1.66 2z5yA1 ARG 76 HD2 0.09 -0.01 0.01 -0.04 3.22 3.27 2z5yA1 ARG 76 HD3 0.06 0.01 -0.15 -0.04 3.22 3.10 2z5yA1 ILE 77 H -0.00 0.10 -0.13 -0.55 8.25 7.68 2z5yA1 ILE 77 HA 0.03 0.09 0.37 -0.75 4.18 3.92 2z5yA1 ILE 77 HB 0.03 -0.02 -0.14 -0.04 1.89 1.72 2z5yA1 ILE 77 HG12 0.18 -0.03 -0.15 -0.04 1.49 1.45 2z5yA1 ILE 77 HG13 0.31 0.05 -0.17 -0.04 1.21 1.36 2z5yA1 ILE 77 HG23 -0.05 0.02 -0.03 -0.04 0.93 0.84 2z5yA1 ILE 77 HD13 0.03 0.01 -0.05 -0.04 0.88 0.84 2z5yA1 LEU 78 H 0.00 0.41 -0.27 -0.55 8.37 7.96 2z5yA1 LEU 78 HA 0.10 0.05 0.39 -0.75 4.35 4.13 2z5yA1 LEU 78 HB2 -0.00 0.06 0.05 -0.04 1.64 1.70 2z5yA1 LEU 78 HB3 0.01 -0.06 -0.09 -0.04 1.64 1.46 2z5yA1 LEU 78 HG -0.06 0.09 -0.01 -0.04 1.64 1.62 2z5yA1 LEU 78 HD13 -0.06 -0.04 -0.23 -0.04 0.93 0.56 2z5yA1 LEU 78 HD23 -0.01 -0.01 -0.14 -0.04 0.89 0.70 2z5yA1 ARG 79 H 0.02 0.53 -0.12 -0.55 8.46 8.33 2z5yA1 ARG 79 HA 0.01 0.00 0.46 -0.75 4.34 4.06 2z5yA1 ARG 79 HB2 0.01 0.02 0.09 -0.04 1.90 1.98 2z5yA1 ARG 79 HB3 0.01 0.03 0.17 -0.04 1.80 1.98 2z5yA1 ARG 79 HG2 0.01 -0.05 0.01 -0.04 1.67 1.59 2z5yA1 ARG 79 HG3 0.01 0.01 -0.02 -0.04 1.67 1.63 2z5yA1 ARG 79 HD2 0.00 0.02 -0.46 -0.04 3.22 2.74 2z5yA1 ARG 79 HD3 0.01 0.02 -0.11 -0.04 3.22 3.10 2z5yA1 LEU 80 H 0.01 0.64 -0.07 -0.55 8.37 8.41 2z5yA1 LEU 80 HA -0.01 0.07 0.41 -0.75 4.35 4.06 2z5yA1 LEU 80 HB2 -0.00 0.02 0.07 -0.04 1.64 1.69 2z5yA1 LEU 80 HB3 -0.01 -0.03 0.10 -0.04 1.64 1.65 2z5yA1 LEU 80 HG -0.05 0.02 -0.22 -0.04 1.64 1.35 2z5yA1 LEU 80 HD13 -0.02 0.01 -0.03 -0.04 0.93 0.85 2z5yA1 LEU 80 HD23 -0.02 -0.03 -0.08 -0.04 0.89 0.72 2z5yA1 SER 81 H -0.00 0.67 -0.15 -0.55 8.46 8.44 2z5yA1 SER 81 HA -0.20 -0.04 0.36 -0.75 4.49 3.86 2z5yA1 SER 81 HB2 0.08 0.12 0.21 -0.04 3.95 4.33 2z5yA1 SER 81 HB3 0.07 0.12 -0.24 -0.04 3.93 3.84 2z5yA1 LYS 82 H 0.01 0.54 -0.20 -0.55 8.42 8.21 2z5yA1 LYS 82 HA 0.01 0.13 0.60 -0.75 4.32 4.29 2z5yA1 LYS 82 HB2 0.03 -0.00 0.14 -0.04 1.87 1.99 2z5yA1 LYS 82 HB3 0.01 0.08 0.21 -0.04 1.79 2.05 2z5yA1 LYS 82 HG2 0.00 0.03 -0.20 -0.04 1.46 1.25 2z5yA1 LYS 82 HG3 0.01 -0.02 -0.00 -0.04 1.46 1.41 2z5yA1 LYS 82 HD2 0.02 -0.05 -0.01 -0.04 1.69 1.61 2z5yA1 LYS 82 HD3 0.01 -0.02 -0.01 -0.04 1.68 1.62 2z5yA1 LYS 82 HE2 0.01 0.02 -0.05 -0.04 2.99 2.93 2z5yA1 LYS 82 HE3 0.01 0.01 -0.04 -0.04 2.99 2.93 2z5yA1 GLU 83 H -0.01 0.52 -0.13 -0.55 8.60 8.42 2z5yA1 GLU 83 HA -0.01 0.04 0.34 -0.75 4.29 3.90 2z5yA1 GLU 83 HB2 -0.01 -0.04 0.12 -0.04 2.09 2.13 2z5yA1 GLU 83 HB3 -0.01 0.02 0.13 -0.04 1.99 2.09 2z5yA1 GLU 83 HG2 -0.02 0.10 0.10 -0.04 2.34 2.49 2z5yA1 GLU 83 HG3 -0.02 0.04 -0.30 -0.04 2.34 2.02 2z5yA1 LEU 84 H -0.04 0.26 -0.83 -0.55 8.37 7.21 2z5yA1 LEU 84 HA -0.04 0.16 0.83 -0.75 4.35 4.55 2z5yA1 LEU 84 HB2 -0.09 0.09 0.03 -0.04 1.64 1.64 2z5yA1 LEU 84 HB3 -0.07 -0.08 0.10 -0.04 1.64 1.55 2z5yA1 LEU 84 HG -0.05 0.08 -0.10 -0.04 1.64 1.53 2z5yA1 LEU 84 HD13 -0.08 -0.04 -0.03 -0.04 0.93 0.74 2z5yA1 LEU 84 HD23 -0.04 -0.01 -0.10 -0.04 0.89 0.69 2z5yA1 GLY 85 H -0.03 0.54 -0.30 -0.55 8.43 8.10 2z5yA1 GLY 85 HA2 -0.02 0.02 0.29 -0.51 4.01 3.79 2z5yA1 GLY 85 HA3 -0.03 0.00 0.39 -0.51 4.01 3.87 2z5yA1 ILE 86 H -0.04 0.47 0.09 -0.55 8.25 8.22 2z5yA1 ILE 86 HA -0.03 0.18 0.91 -0.75 4.18 4.48 2z5yA1 ILE 86 HB -0.20 0.04 -0.05 -0.04 1.89 1.65 2z5yA1 ILE 86 HG12 -0.15 -0.03 -0.17 -0.04 1.49 1.10 2z5yA1 ILE 86 HG13 -0.10 0.12 -0.52 -0.04 1.21 0.66 2z5yA1 ILE 86 HG23 -0.18 -0.01 -0.21 -0.04 0.93 0.49 2z5yA1 ILE 86 HD13 -0.23 0.00 -0.22 -0.04 0.88 0.39 2z5yA1 GLU 87 H 0.07 0.19 0.18 -0.55 8.60 8.49 2z5yA1 GLU 87 HA 0.11 0.22 0.96 -0.75 4.29 4.83 2z5yA1 GLU 87 HB2 0.09 0.07 0.07 -0.04 2.09 2.28 2z5yA1 GLU 87 HB3 0.05 0.04 -0.06 -0.04 1.99 1.99 2z5yA1 GLU 87 HG2 0.04 0.08 -0.01 -0.04 2.34 2.41 2z5yA1 GLU 87 HG3 0.07 -0.07 0.08 -0.04 2.34 2.38 2z5yA1 THR 88 H 0.10 0.17 0.19 -0.55 8.28 8.19 2z5yA1 THR 88 HA 0.07 0.24 1.02 -0.75 4.39 4.96 2z5yA1 THR 88 HB -0.15 0.07 0.03 -0.04 4.32 4.22 2z5yA1 THR 88 HG23 -0.11 -0.01 -0.21 -0.04 1.22 0.84 2z5yA1 TYR 89 H -0.26 0.55 0.32 -0.55 8.29 8.34 2z5yA1 TYR 89 HA 0.01 0.15 0.59 -0.75 4.56 4.55 2z5yA1 TYR 89 HB2 0.03 0.02 0.12 -0.04 3.06 3.19 2z5yA1 TYR 89 HB3 0.04 0.02 -0.12 -0.04 2.98 2.88 2z5yA1 TYR 89 HD2 0.05 0.06 -0.29 -0.04 7.15 6.93 2z5yA1 TYR 89 HE2 0.10 0.08 -0.29 -0.04 6.85 6.70 2z5yA1 LYS 90 H 0.13 0.13 0.13 -0.55 8.42 8.26 2z5yA1 LYS 90 HA -0.11 0.22 0.67 -0.75 4.32 4.35 2z5yA1 LYS 90 HB2 0.04 -0.07 0.12 -0.04 1.87 1.92 2z5yA1 LYS 90 HB3 -0.01 0.16 0.04 -0.04 1.79 1.94 2z5yA1 LYS 90 HG2 -0.04 0.04 -0.06 -0.04 1.46 1.37 2z5yA1 LYS 90 HG3 0.01 -0.06 0.02 -0.04 1.46 1.38 2z5yA1 LYS 90 HD2 0.00 -0.00 0.02 -0.04 1.69 1.67 2z5yA1 LYS 90 HD3 -0.02 -0.00 0.02 -0.04 1.68 1.64 2z5yA1 LYS 90 HE2 -0.01 0.01 0.01 -0.04 2.99 2.96 2z5yA1 LYS 90 HE3 0.01 -0.01 0.01 -0.04 2.99 2.96 2z5yA1 VAL 91 H -0.12 0.56 0.34 -0.55 8.24 8.47 2z5yA1 VAL 91 HA -0.00 -0.00 0.49 -0.75 4.13 3.87 2z5yA1 VAL 91 HB -0.11 -0.00 0.05 -0.04 2.12 2.02 2z5yA1 VAL 91 HG13 -0.11 0.01 -0.09 -0.04 0.97 0.74 2z5yA1 VAL 91 HG23 -0.05 0.03 -0.15 -0.04 0.95 0.74 2z5yA1 ASN 92 H 0.05 0.14 0.16 -0.55 8.53 8.34 2z5yA1 ASN 92 HA 0.03 0.05 0.63 -0.75 4.76 4.71 2z5yA1 ASN 92 HB2 0.09 0.08 0.15 -0.04 2.88 3.16 2z5yA1 ASN 92 HB3 0.07 0.02 0.22 -0.04 2.79 3.06 2z5yA1 ASN 92 HD21 0.08 -0.08 0.00 -0.04 7.03 6.99 2z5yA1 ASN 92 HD22 0.11 0.25 0.07 -0.04 7.74 8.13 2z5yA1 VAL 93 H -0.01 0.20 0.16 -0.55 8.24 8.04 2z5yA1 VAL 93 HA -0.04 0.09 0.57 -0.75 4.13 3.99 2z5yA1 VAL 93 HB -0.06 0.07 0.22 -0.04 2.12 2.31 2z5yA1 VAL 93 HG13 -0.10 -0.02 -0.12 -0.04 0.97 0.70 2z5yA1 VAL 93 HG23 -0.04 0.02 -0.01 -0.04 0.95 0.88 2z5yA1 SER 94 H 0.01 0.04 0.06 -0.55 8.46 8.03 2z5yA1 SER 94 HA 0.00 0.12 0.58 -0.75 4.49 4.44 2z5yA1 SER 94 HB2 0.02 -0.05 0.10 -0.04 3.95 3.98 2z5yA1 SER 94 HB3 0.01 0.04 0.03 -0.04 3.93 3.97 2z5yA1 GLU 95 H 0.03 -0.09 -0.20 -0.55 8.60 7.79 2z5yA1 GLU 95 HA 0.02 0.20 0.58 -0.75 4.29 4.33 2z5yA1 GLU 95 HB2 0.08 -0.07 -0.72 -0.04 2.09 1.33 2z5yA1 GLU 95 HB3 0.04 0.08 -0.39 -0.04 1.99 1.68 2z5yA1 GLU 95 HG2 0.01 0.11 -0.10 -0.04 2.34 2.31 2z5yA1 GLU 95 HG3 0.00 0.05 -0.15 -0.04 2.34 2.20 2z5yA1 ARG 96 H 0.09 0.56 0.08 -0.55 8.46 8.64 2z5yA1 ARG 96 HA -0.03 0.16 0.67 -0.75 4.34 4.38 2z5yA1 ARG 96 HB2 0.25 0.13 0.28 -0.04 1.90 2.53 2z5yA1 ARG 96 HB3 0.07 0.04 0.18 -0.04 1.80 2.06 2z5yA1 ARG 96 HG2 0.06 -0.05 -0.04 -0.04 1.67 1.60 2z5yA1 ARG 96 HG3 0.05 -0.05 0.08 -0.04 1.67 1.72 2z5yA1 ARG 96 HD2 0.13 -0.06 -0.02 -0.04 3.22 3.23 2z5yA1 ARG 96 HD3 0.07 -0.07 0.02 -0.04 3.22 3.19 2z5yA1 LEU 97 H -0.29 0.33 0.39 -0.55 8.37 8.25 2z5yA1 LEU 97 HA -0.24 0.04 0.77 -0.75 4.35 4.17 2z5yA1 LEU 97 HB2 -1.27 0.05 0.00 -0.04 1.64 0.38 2z5yA1 LEU 97 HB3 -0.83 -0.00 -0.04 -0.04 1.64 0.72 2z5yA1 LEU 97 HG -0.23 -0.08 0.07 -0.04 1.64 1.36 2z5yA1 LEU 97 HD13 -0.19 -0.01 0.05 -0.04 0.93 0.75 2z5yA1 LEU 97 HD23 -0.13 0.03 -0.06 -0.04 0.89 0.70 2z5yA1 VAL 98 H -0.14 0.55 0.31 -0.55 8.24 8.42 2z5yA1 VAL 98 HA 0.13 0.23 0.79 -0.75 4.13 4.52 2z5yA1 VAL 98 HB -0.05 -0.04 -0.19 -0.04 2.12 1.80 2z5yA1 VAL 98 HG13 -0.59 0.02 -0.23 -0.04 0.97 0.13 2z5yA1 VAL 98 HG23 -0.17 0.01 -0.19 -0.04 0.95 0.56 2z5yA1 GLN 99 H 0.40 0.61 0.17 -0.55 8.47 9.11 2z5yA1 GLN 99 HA 0.33 0.20 1.01 -0.75 4.36 5.14 2z5yA1 GLN 99 HB2 0.31 -0.01 0.07 -0.04 2.15 2.48 2z5yA1 GLN 99 HB3 0.29 0.08 0.16 -0.04 2.02 2.51 2z5yA1 GLN 99 HG2 0.28 -0.06 -0.38 -0.04 2.40 2.20 2z5yA1 GLN 99 HG3 0.28 0.11 -0.05 -0.04 2.39 2.69 2z5yA1 GLN 99 HE21 0.27 -0.07 -0.05 -0.04 6.97 7.08 2z5yA1 GLN 99 HE22 0.36 0.05 -0.05 -0.04 7.69 8.01 2z5yA1 TYR 100 H 0.32 0.56 0.19 -0.55 8.29 8.81 2z5yA1 TYR 100 HA 0.13 0.52 1.03 -0.75 4.56 5.49 2z5yA1 TYR 100 HB2 0.06 0.02 -0.15 -0.04 3.06 2.95 2z5yA1 TYR 100 HB3 0.10 -0.07 0.07 -0.04 2.98 3.04 2z5yA1 TYR 100 HD2 0.05 0.01 -0.32 -0.04 7.15 6.86 2z5yA1 TYR 100 HE2 0.04 0.05 -0.27 -0.04 6.85 6.63 2z5yA1 VAL 101 H 0.09 0.57 0.20 -0.55 8.24 8.55 2z5yA1 VAL 101 HA -0.06 0.38 0.86 -0.75 4.13 4.57 2z5yA1 VAL 101 HB 0.06 -0.02 -0.10 -0.04 2.12 2.02 2z5yA1 VAL 101 HG13 0.06 -0.02 0.12 -0.04 0.97 1.10 2z5yA1 VAL 101 HG23 0.14 0.02 -0.12 -0.04 0.95 0.95 2z5yA1 LYS 102 H -0.08 0.22 0.19 -0.55 8.42 8.19 2z5yA1 LYS 102 HA -0.05 0.00 0.37 -0.75 4.32 3.89 2z5yA1 LYS 102 HB2 0.02 0.11 -0.16 -0.04 1.87 1.80 2z5yA1 LYS 102 HB3 -0.00 0.04 0.19 -0.04 1.79 1.97 2z5yA1 LYS 102 HG2 -0.01 0.01 0.08 -0.04 1.46 1.50 2z5yA1 LYS 102 HG3 -0.00 -0.04 0.01 -0.04 1.46 1.39 2z5yA1 LYS 102 HD2 0.00 0.00 -0.03 -0.04 1.69 1.63 2z5yA1 LYS 102 HD3 0.00 0.03 0.02 -0.04 1.68 1.69 2z5yA1 LYS 102 HE2 -0.01 -0.01 -0.00 -0.04 2.99 2.92 2z5yA1 LYS 102 HE3 -0.02 -0.04 -0.00 -0.04 2.99 2.88 2z5yA1 GLY 103 H -0.38 0.04 -0.22 -0.55 8.43 7.32 2z5yA1 GLY 103 HA2 -0.12 -0.02 0.19 -0.51 4.01 3.56 2z5yA1 GLY 103 HA3 -0.03 0.05 0.32 -0.51 4.01 3.84 2z5yA1 LYS 104 H -0.31 0.52 -0.47 -0.55 8.42 7.60 2z5yA1 LYS 104 HA -0.10 0.19 1.07 -0.75 4.32 4.73 2z5yA1 LYS 104 HB2 -0.01 0.10 0.04 -0.04 1.87 1.95 2z5yA1 LYS 104 HB3 -0.73 -0.00 -0.08 -0.04 1.79 0.94 2z5yA1 LYS 104 HG2 -0.08 -0.06 0.00 -0.04 1.46 1.28 2z5yA1 LYS 104 HG3 -0.13 0.02 0.07 -0.04 1.46 1.38 2z5yA1 LYS 104 HD2 -0.03 0.04 -0.36 -0.04 1.69 1.29 2z5yA1 LYS 104 HD3 0.01 -0.01 -0.02 -0.04 1.68 1.62 2z5yA1 LYS 104 HE2 0.00 -0.05 0.01 -0.04 2.99 2.91 2z5yA1 LYS 104 HE3 -0.01 0.03 0.01 -0.04 2.99 2.98 2z5yA1 THR 105 H -0.12 0.18 0.18 -0.55 8.28 7.98 2z5yA1 THR 105 HA 0.11 0.11 0.78 -0.75 4.39 4.64 2z5yA1 THR 105 HB 0.01 -0.04 0.18 -0.04 4.32 4.43 2z5yA1 THR 105 HG23 -0.06 0.00 -0.11 -0.04 1.22 1.01 2z5yA1 TYR 106 H 0.21 0.64 0.28 -0.55 8.29 8.86 2z5yA1 TYR 106 HA 0.13 0.23 1.02 -0.75 4.56 5.19 2z5yA1 TYR 106 HB2 0.15 -0.07 0.25 -0.04 3.06 3.35 2z5yA1 TYR 106 HB3 0.16 0.02 0.09 -0.04 2.98 3.21 2z5yA1 TYR 106 HD2 0.07 0.05 -0.02 -0.04 7.15 7.22 2z5yA1 TYR 106 HE2 0.01 0.02 -0.02 -0.04 6.85 6.82 2z5yA1 PRO 107 HA 0.13 0.29 0.79 -0.51 4.44 5.14 2z5yA1 PRO 107 HB2 0.20 -0.01 -0.01 -0.04 2.28 2.43 2z5yA1 PRO 107 HB3 0.32 0.08 0.10 -0.04 2.02 2.48 2z5yA1 PRO 107 HG2 0.19 -0.03 0.12 -0.04 2.03 2.26 2z5yA1 PRO 107 HG3 0.25 0.08 0.07 -0.04 2.03 2.38 2z5yA1 PRO 107 HD2 0.14 0.18 0.18 -0.04 3.68 4.14 2z5yA1 PRO 107 HD3 0.12 0.13 -0.08 -0.04 3.65 3.78 2z5yA1 PHE 108 H -0.06 0.87 0.43 -0.55 8.34 9.02 2z5yA1 PHE 108 HA 0.14 0.05 0.54 -0.75 4.62 4.60 2z5yA1 PHE 108 HB2 0.13 -0.19 0.17 -0.04 3.15 3.21 2z5yA1 PHE 108 HB3 0.15 0.15 -0.14 -0.04 3.06 3.18 2z5yA1 PHE 108 HD2 0.12 -0.01 -0.22 -0.04 7.28 7.13 2z5yA1 PHE 108 HE2 0.11 0.10 -0.63 -0.04 7.38 6.91 2z5yA1 PHE 108 HZ 0.13 0.05 -0.26 -0.04 7.32 7.20 2z5yA1 ARG 109 H 0.33 -0.04 0.20 -0.55 8.46 8.40 2z5yA1 ARG 109 HA -0.06 0.24 1.06 -0.75 4.34 4.83 2z5yA1 ARG 109 HB2 0.12 -0.07 0.06 -0.04 1.90 1.97 2z5yA1 ARG 109 HB3 0.06 0.04 0.07 -0.04 1.80 1.93 2z5yA1 ARG 109 HG2 0.06 -0.02 -0.40 -0.04 1.67 1.27 2z5yA1 ARG 109 HG3 0.08 -0.02 -0.06 -0.04 1.67 1.62 2z5yA1 ARG 109 HD2 0.03 -0.01 0.01 -0.04 3.22 3.20 2z5yA1 ARG 109 HD3 0.01 0.13 -0.04 -0.04 3.22 3.28 2z5yA1 ALA 110 H 0.40 -0.10 0.11 -0.55 8.40 8.26 2z5yA1 ALA 110 HA 0.16 0.13 0.51 -0.75 4.34 4.39 2z5yA1 ALA 110 HB3 0.23 0.03 0.13 -0.04 1.41 1.76 2z5yA1 ALA 111 H 0.19 0.09 0.13 -0.55 8.40 8.26 2z5yA1 ALA 111 HA 0.06 0.16 0.66 -0.75 4.34 4.46 2z5yA1 ALA 111 HB3 0.03 0.01 0.05 -0.04 1.41 1.45 2z5yA1 PHE 112 H 0.33 0.03 -0.15 -0.55 8.34 8.00 2z5yA1 PHE 112 HA 0.24 0.31 0.89 -0.75 4.62 5.30 2z5yA1 PHE 112 HB2 0.03 -0.11 -0.03 -0.04 3.15 3.00 2z5yA1 PHE 112 HB3 0.04 0.09 -0.13 -0.04 3.06 3.02 2z5yA1 PHE 112 HD2 -0.26 -0.05 -0.10 -0.04 7.28 6.83 2z5yA1 PHE 112 HE2 -1.01 -0.04 -0.12 -0.04 7.38 6.17 2z5yA1 PHE 112 HZ -0.61 0.10 -0.18 -0.04 7.32 6.58 2z5yA1 PRO 113 HA -1.54 0.09 0.31 -0.51 4.44 2.79 2z5yA1 PRO 113 HB2 -0.30 -0.05 -0.05 -0.04 2.28 1.84 2z5yA1 PRO 113 HB3 -0.35 0.08 0.01 -0.04 2.02 1.73 2z5yA1 PRO 113 HG2 0.32 -0.00 0.03 -0.04 2.03 2.34 2z5yA1 PRO 113 HG3 -0.07 0.09 -0.01 -0.04 2.03 1.99 2z5yA1 PRO 113 HD2 0.09 0.04 0.13 -0.04 3.68 3.90 2z5yA1 PRO 113 HD3 0.25 0.27 0.10 -0.04 3.65 4.23 2z5yA1 PRO 114 HA -0.19 0.03 0.34 -0.51 4.44 4.12 2z5yA1 PRO 114 HB2 -0.28 0.01 -0.05 -0.04 2.28 1.92 2z5yA1 PRO 114 HB3 -0.06 -0.00 0.11 -0.04 2.02 2.03 2z5yA1 PRO 114 HG2 0.14 0.02 0.07 -0.04 2.03 2.22 2z5yA1 PRO 114 HG3 0.23 0.06 0.11 -0.04 2.03 2.39 2z5yA1 PRO 114 HD2 -0.25 0.15 0.14 -0.04 3.68 3.68 2z5yA1 PRO 114 HD3 -0.21 0.07 0.19 -0.04 3.65 3.65 2z5yA1 VAL 115 H -0.30 0.20 0.13 -0.55 8.24 7.71 2z5yA1 VAL 115 HA -0.26 0.14 0.89 -0.75 4.13 4.15 2z5yA1 VAL 115 HB -0.34 0.01 0.10 -0.04 2.12 1.85 2z5yA1 VAL 115 HG13 -0.22 -0.02 -0.20 -0.04 0.97 0.48 2z5yA1 VAL 115 HG23 -1.28 0.07 -0.19 -0.04 0.95 -0.49 2z5yA1 TRP 116 H 0.08 0.16 0.08 -0.55 7.97 7.75 2z5yA1 TRP 116 HA -0.09 0.23 0.68 -0.75 4.62 4.68 2z5yA1 TRP 116 HB2 -0.09 0.00 0.05 -0.04 3.23 3.16 2z5yA1 TRP 116 HB3 -0.06 0.02 0.02 -0.04 3.23 3.17 2z5yA1 TRP 116 HD1 -0.09 0.07 -0.12 -0.04 7.22 7.04 2z5yA1 TRP 116 HE1 -0.00 0.06 -0.05 -0.04 10.20 10.16 2z5yA1 TRP 116 HE3 -0.08 -0.03 0.06 -0.04 7.59 7.49 2z5yA1 TRP 116 HZ2 -0.01 0.02 -0.01 -0.04 7.44 7.40 2z5yA1 TRP 116 HZ3 -0.08 -0.01 0.01 -0.04 7.13 7.01 2z5yA1 TRP 116 HH2 -0.04 0.01 -0.00 -0.04 7.19 7.11 2z5yA1 ASN 117 H 0.05 0.01 0.01 -0.55 8.53 8.06 2z5yA1 ASN 117 HA 0.08 0.25 0.70 -0.75 4.76 5.03 2z5yA1 ASN 117 HB2 0.03 0.11 0.15 -0.04 2.88 3.14 2z5yA1 ASN 117 HB3 0.01 -0.17 0.17 -0.04 2.79 2.75 2z5yA1 ASN 117 HD21 0.06 0.06 0.05 -0.04 7.03 7.16 2z5yA1 ASN 117 HD22 0.03 0.06 0.06 -0.04 7.74 7.85 2z5yA1 PRO 118 HA 0.03 0.14 0.24 -0.51 4.44 4.34 2z5yA1 PRO 118 HB2 0.02 0.01 0.02 -0.04 2.28 2.28 2z5yA1 PRO 118 HB3 -0.02 0.09 0.11 -0.04 2.02 2.15 2z5yA1 PRO 118 HG2 0.02 0.05 0.12 -0.04 2.03 2.18 2z5yA1 PRO 118 HG3 0.02 0.14 0.14 -0.04 2.03 2.29 2z5yA1 PRO 118 HD2 0.05 0.00 0.24 -0.04 3.68 3.93 2z5yA1 PRO 118 HD3 0.06 0.27 0.36 -0.04 3.65 4.30 2z5yA1 ILE 119 H 0.06 0.12 -0.19 -0.55 8.25 7.68 2z5yA1 ILE 119 HA 0.04 0.17 0.48 -0.75 4.18 4.12 2z5yA1 ILE 119 HB 0.15 -0.05 0.07 -0.04 1.89 2.02 2z5yA1 ILE 119 HG12 0.04 -0.02 0.04 -0.04 1.49 1.51 2z5yA1 ILE 119 HG13 0.04 0.06 0.02 -0.04 1.21 1.29 2z5yA1 ILE 119 HG23 0.20 0.00 -0.10 -0.04 0.93 0.99 2z5yA1 ILE 119 HD13 -0.03 0.03 -0.03 -0.04 0.88 0.81 2z5yA1 ALA 120 H 0.06 0.07 -0.15 -0.55 8.40 7.83 2z5yA1 ALA 120 HA 0.02 -0.03 0.52 -0.75 4.34 4.09 2z5yA1 ALA 120 HB3 -0.04 0.01 0.10 -0.04 1.41 1.44 2z5yA1 TYR 121 H 0.06 0.88 -0.22 -0.55 8.29 8.46 2z5yA1 TYR 121 HA -0.16 -0.04 0.28 -0.75 4.56 3.89 2z5yA1 TYR 121 HB2 -0.17 0.12 -0.07 -0.04 3.06 2.91 2z5yA1 TYR 121 HB3 -0.10 0.15 0.08 -0.04 2.98 3.07 2z5yA1 TYR 121 HD2 -0.18 0.06 -0.05 -0.04 7.15 6.94 2z5yA1 TYR 121 HE2 -0.08 0.00 -0.04 -0.04 6.85 6.69 2z5yA1 LEU 122 H 0.06 0.48 -0.17 -0.55 8.37 8.19 2z5yA1 LEU 122 HA -0.11 0.07 0.39 -0.75 4.35 3.95 2z5yA1 LEU 122 HB2 -0.01 -0.05 0.14 -0.04 1.64 1.68 2z5yA1 LEU 122 HB3 -0.03 0.20 0.06 -0.04 1.64 1.82 2z5yA1 LEU 122 HG 0.06 0.19 0.14 -0.04 1.64 1.99 2z5yA1 LEU 122 HD13 -0.00 0.00 -0.01 -0.04 0.93 0.88 2z5yA1 LEU 122 HD23 0.09 0.03 0.03 -0.04 0.89 0.99 2z5yA1 ASP 123 H -0.05 0.53 -0.19 -0.55 8.40 8.15 2z5yA1 ASP 123 HA -0.10 -0.06 0.40 -0.75 4.63 4.11 2z5yA1 ASP 123 HB2 0.03 0.15 0.29 -0.04 2.71 3.14 2z5yA1 ASP 123 HB3 -0.07 0.01 0.23 -0.04 2.70 2.83 2z5yA1 TYR 124 H -0.11 0.68 -0.00 -0.55 8.29 8.32 2z5yA1 TYR 124 HA -0.65 -0.04 0.42 -0.75 4.56 3.54 2z5yA1 TYR 124 HB2 -0.30 -0.05 0.07 -0.04 3.06 2.75 2z5yA1 TYR 124 HB3 -0.43 0.13 0.16 -0.04 2.98 2.80 2z5yA1 TYR 124 HD2 -0.24 -0.06 -0.07 -0.04 7.15 6.73 2z5yA1 TYR 124 HE2 -0.38 -0.01 -0.10 -0.04 6.85 6.33 2z5yA1 ASN 125 H -0.43 0.75 0.02 -0.55 8.53 8.32 2z5yA1 ASN 125 HA -0.22 -0.05 0.47 -0.75 4.76 4.20 2z5yA1 ASN 125 HB2 -0.74 -0.01 0.12 -0.04 2.88 2.20 2z5yA1 ASN 125 HB3 -0.30 0.14 0.12 -0.04 2.79 2.71 2z5yA1 ASN 125 HD21 -0.04 0.34 0.08 -0.04 7.03 7.37 2z5yA1 ASN 125 HD22 -0.09 0.04 -0.14 -0.04 7.74 7.51 2z5yA1 ASN 126 H -0.27 0.61 -0.25 -0.55 8.53 8.08 2z5yA1 ASN 126 HA -0.18 0.09 0.26 -0.75 4.76 4.17 2z5yA1 ASN 126 HB2 -0.14 0.03 0.04 -0.04 2.88 2.77 2z5yA1 ASN 126 HB3 -0.18 0.05 0.18 -0.04 2.79 2.81 2z5yA1 ASN 126 HD21 -0.12 -0.01 0.04 -0.04 7.03 6.89 2z5yA1 ASN 126 HD22 -0.15 0.11 -0.02 -0.04 7.74 7.64 2z5yA1 LEU 127 H -0.52 0.38 -0.34 -0.55 8.37 7.35 2z5yA1 LEU 127 HA -0.40 0.03 0.42 -0.75 4.35 3.65 2z5yA1 LEU 127 HB2 -0.62 -0.00 0.08 -0.04 1.64 1.06 2z5yA1 LEU 127 HB3 -1.20 0.20 0.30 -0.04 1.64 0.89 2z5yA1 LEU 127 HG -1.62 0.00 -0.23 -0.04 1.64 -0.25 2z5yA1 LEU 127 HD13 -0.47 -0.02 -0.05 -0.04 0.93 0.36 2z5yA1 LEU 127 HD23 -1.35 -0.03 -0.01 -0.04 0.89 -0.53 2z5yA1 TRP 128 H -1.11 0.42 0.07 -0.55 7.97 6.80 2z5yA1 TRP 128 HA -0.37 0.00 0.49 -0.75 4.62 3.99 2z5yA1 TRP 128 HB2 -0.43 0.09 0.06 -0.04 3.23 2.91 2z5yA1 TRP 128 HB3 -0.43 -0.08 0.04 -0.04 3.23 2.71 2z5yA1 TRP 128 HD1 -0.75 -0.00 -0.06 -0.04 7.22 6.36 2z5yA1 TRP 128 HE1 -2.33 -0.02 -0.08 -0.04 10.20 7.72 2z5yA1 TRP 128 HE3 -0.67 -0.03 -0.04 -0.04 7.59 6.80 2z5yA1 TRP 128 HZ2 -0.65 -0.01 -0.07 -0.04 7.44 6.67 2z5yA1 TRP 128 HZ3 -1.51 0.02 -0.06 -0.04 7.13 5.54 2z5yA1 TRP 128 HH2 0.07 0.02 -0.16 -0.04 7.19 7.08 2z5yA1 ARG 129 H -0.15 0.56 -0.18 -0.55 8.46 8.13 2z5yA1 ARG 129 HA -0.17 -0.01 0.47 -0.75 4.34 3.87 2z5yA1 ARG 129 HB2 -0.16 0.12 0.11 -0.04 1.90 1.93 2z5yA1 ARG 129 HB3 -0.15 0.05 0.10 -0.04 1.80 1.75 2z5yA1 ARG 129 HG2 -0.12 -0.07 -0.12 -0.04 1.67 1.32 2z5yA1 ARG 129 HG3 -0.18 -0.08 0.04 -0.04 1.67 1.41 2z5yA1 ARG 129 HD2 -0.12 0.03 0.03 -0.04 3.22 3.13 2z5yA1 ARG 129 HD3 -0.13 0.25 0.01 -0.04 3.22 3.31 2z5yA1 THR 130 H -0.17 0.52 -0.23 -0.55 8.28 7.84 2z5yA1 THR 130 HA -0.11 0.01 0.40 -0.75 4.39 3.93 2z5yA1 THR 130 HB -0.19 0.10 0.23 -0.04 4.32 4.42 2z5yA1 THR 130 HG23 -0.16 -0.03 -0.10 -0.04 1.22 0.89 2z5yA1 ILE 131 H -0.13 0.64 0.03 -0.55 8.25 8.23 2z5yA1 ILE 131 HA -0.10 0.02 0.53 -0.75 4.18 3.88 2z5yA1 ILE 131 HB 0.01 0.07 0.17 -0.04 1.89 2.10 2z5yA1 ILE 131 HG12 0.07 -0.03 -0.00 -0.04 1.49 1.48 2z5yA1 ILE 131 HG13 -0.11 0.00 0.04 -0.04 1.21 1.11 2z5yA1 ILE 131 HG23 0.08 -0.01 -0.17 -0.04 0.93 0.79 2z5yA1 ILE 131 HD13 -0.04 -0.01 -0.11 -0.04 0.88 0.68 2z5yA1 ASP 132 H -0.05 0.57 -0.19 -0.55 8.40 8.17 2z5yA1 ASP 132 HA -0.05 0.02 0.39 -0.75 4.63 4.23 2z5yA1 ASP 132 HB2 -0.09 0.15 0.19 -0.04 2.71 2.92 2z5yA1 ASP 132 HB3 -0.05 0.00 0.08 -0.04 2.70 2.70 2z5yA1 ASN 133 H -0.08 0.57 -0.08 -0.55 8.53 8.40 2z5yA1 ASN 133 HA -0.03 0.01 0.36 -0.75 4.76 4.35 2z5yA1 ASN 133 HB2 -0.07 0.02 0.19 -0.04 2.88 2.98 2z5yA1 ASN 133 HB3 -0.02 -0.06 0.01 -0.04 2.79 2.68 2z5yA1 ASN 133 HD21 -0.08 0.00 -0.01 -0.04 7.03 6.90 2z5yA1 ASN 133 HD22 -0.07 -0.05 -0.04 -0.04 7.74 7.54 2z5yA1 MET 134 H -0.08 0.76 -0.15 -0.55 8.47 8.45 2z5yA1 MET 134 HA 0.11 -0.01 0.44 -0.75 4.52 4.30 2z5yA1 MET 134 HB2 -0.26 0.15 0.19 -0.04 2.15 2.19 2z5yA1 MET 134 HB3 -0.67 -0.10 0.01 -0.04 2.03 1.23 2z5yA1 MET 134 HG2 -0.21 -0.07 0.02 -0.04 2.63 2.33 2z5yA1 MET 134 HG3 -0.15 0.04 0.04 -0.04 2.56 2.45 2z5yA1 MET 134 HE3 -1.57 -0.02 -0.05 -0.04 2.10 0.42 2z5yA1 GLY 135 H -0.03 0.37 -0.39 -0.55 8.43 7.83 2z5yA1 GLY 135 HA2 0.06 -0.05 0.31 -0.51 4.01 3.83 2z5yA1 GLY 135 HA3 -0.03 0.06 0.29 -0.51 4.01 3.83 2z5yA1 LYS 136 H 0.01 0.42 -0.06 -0.55 8.42 8.23 2z5yA1 LYS 136 HA -0.00 0.01 0.44 -0.75 4.32 4.02 2z5yA1 LYS 136 HB2 0.03 0.28 0.17 -0.04 1.87 2.31 2z5yA1 LYS 136 HB3 0.01 -0.06 -0.02 -0.04 1.79 1.69 2z5yA1 LYS 136 HG2 -0.02 -0.04 0.06 -0.04 1.46 1.42 2z5yA1 LYS 136 HG3 -0.02 0.15 0.08 -0.04 1.46 1.64 2z5yA1 LYS 136 HD2 -0.01 0.01 0.05 -0.04 1.69 1.70 2z5yA1 LYS 136 HD3 -0.01 -0.03 0.01 -0.04 1.68 1.61 2z5yA1 LYS 136 HE2 -0.02 -0.01 -0.01 -0.04 2.99 2.91 2z5yA1 LYS 136 HE3 -0.03 -0.02 -0.07 -0.04 2.99 2.83 2z5yA1 GLU 137 H 0.13 0.24 -0.22 -0.55 8.60 8.21 2z5yA1 GLU 137 HA 0.05 -0.04 0.46 -0.75 4.29 4.00 2z5yA1 GLU 137 HB2 0.28 0.03 0.12 -0.04 2.09 2.47 2z5yA1 GLU 137 HB3 0.37 0.22 -0.00 -0.04 1.99 2.54 2z5yA1 GLU 137 HG2 -0.15 -0.14 -0.02 -0.04 2.34 2.00 2z5yA1 GLU 137 HG3 -0.03 -0.08 0.11 -0.04 2.34 2.31 2z5yA1 ILE 138 H 0.11 0.76 -0.39 -0.55 8.25 8.18 2z5yA1 ILE 138 HA 0.04 0.00 0.44 -0.75 4.18 3.92 2z5yA1 ILE 138 HB 0.17 0.11 0.07 -0.04 1.89 2.21 2z5yA1 ILE 138 HG12 0.35 -0.09 -0.05 -0.04 1.49 1.65 2z5yA1 ILE 138 HG13 0.42 0.07 -0.04 -0.04 1.21 1.61 2z5yA1 ILE 138 HG23 0.19 0.01 -0.15 -0.04 0.93 0.93 2z5yA1 ILE 138 HD13 0.29 -0.03 -0.13 -0.04 0.88 0.97 2z5yA1 PRO 139 HA -0.06 0.07 0.53 -0.51 4.44 4.48 2z5yA1 PRO 139 HB2 -0.28 -0.14 -0.13 -0.04 2.28 1.69 2z5yA1 PRO 139 HB3 -0.15 0.03 0.01 -0.04 2.02 1.87 2z5yA1 PRO 139 HG2 -0.22 0.05 -0.13 -0.04 2.03 1.70 2z5yA1 PRO 139 HG3 -0.12 0.09 -0.02 -0.04 2.03 1.94 2z5yA1 PRO 139 HD2 -0.16 0.03 0.11 -0.04 3.68 3.63 2z5yA1 PRO 139 HD3 -0.08 0.25 0.34 -0.04 3.65 4.12 2z5yA1 THR 140 H -0.02 0.17 0.16 -0.55 8.28 8.04 2z5yA1 THR 140 HA 0.32 0.11 0.25 -0.75 4.39 4.31 2z5yA1 THR 140 HB -0.01 -0.06 0.09 -0.04 4.32 4.31 2z5yA1 THR 140 HG23 -0.03 0.01 0.06 -0.04 1.22 1.22 2z5yA1 ASP 141 H -0.09 0.02 -0.16 -0.55 8.40 7.62 2z5yA1 ASP 141 HA -0.00 0.14 0.43 -0.75 4.63 4.44 2z5yA1 ASP 141 HB2 -0.19 -0.04 -0.08 -0.04 2.71 2.36 2z5yA1 ASP 141 HB3 -0.18 0.05 -0.00 -0.04 2.70 2.52 2z5yA1 ALA 142 H -0.37 0.18 -0.65 -0.55 8.40 7.02 2z5yA1 ALA 142 HA -2.12 0.22 0.76 -0.75 4.34 2.44 2z5yA1 ALA 142 HB3 -0.63 0.01 -0.07 -0.04 1.41 0.68 2z5yA1 PRO 143 HA -0.27 0.10 0.30 -0.51 4.44 4.06 2z5yA1 PRO 143 HB2 -0.22 -0.08 -0.13 -0.04 2.28 1.80 2z5yA1 PRO 143 HB3 -0.41 0.08 -0.01 -0.04 2.02 1.64 2z5yA1 PRO 143 HG2 -0.36 -0.05 -0.05 -0.04 2.03 1.53 2z5yA1 PRO 143 HG3 -1.39 0.09 -0.04 -0.04 2.03 0.65 2z5yA1 PRO 143 HD2 -1.07 0.16 -0.11 -0.04 3.68 2.62 2z5yA1 PRO 143 HD3 -0.70 0.34 -0.20 -0.04 3.65 3.05 2z5yA1 TRP 144 H -0.86 0.18 -0.44 -0.55 7.97 6.29 2z5yA1 TRP 144 HA -0.05 -0.03 0.27 -0.75 4.62 4.06 2z5yA1 TRP 144 HB2 -0.05 0.03 0.01 -0.04 3.23 3.18 2z5yA1 TRP 144 HB3 -0.08 0.06 -0.13 -0.04 3.23 3.04 2z5yA1 TRP 144 HD1 -0.05 0.01 -0.28 -0.04 7.22 6.86 2z5yA1 TRP 144 HE1 -0.04 0.02 -0.04 -0.04 10.20 10.10 2z5yA1 TRP 144 HE3 -0.18 -0.07 -0.14 -0.04 7.59 7.15 2z5yA1 TRP 144 HZ2 -0.03 0.03 0.06 -0.04 7.44 7.46 2z5yA1 TRP 144 HZ3 -0.18 0.03 -0.07 -0.04 7.13 6.88 2z5yA1 TRP 144 HH2 -0.04 0.08 0.04 -0.04 7.19 7.24 2z5yA1 GLU 145 H -0.70 0.50 -0.37 -0.55 8.60 7.48 2z5yA1 GLU 145 HA -0.03 0.09 0.56 -0.75 4.29 4.15 2z5yA1 GLU 145 HB2 -0.38 0.24 0.08 -0.04 2.09 1.99 2z5yA1 GLU 145 HB3 -0.15 -0.06 0.08 -0.04 1.99 1.82 2z5yA1 GLU 145 HG2 0.05 -0.00 -0.01 -0.04 2.34 2.33 2z5yA1 GLU 145 HG3 -0.41 -0.05 -0.03 -0.04 2.34 1.81 2z5yA1 ALA 146 H -0.16 0.37 -0.36 -0.55 8.40 7.71 2z5yA1 ALA 146 HA -0.13 0.14 0.46 -0.75 4.34 4.05 2z5yA1 ALA 146 HB3 -0.10 -0.04 0.04 -0.04 1.41 1.27 2z5yA1 GLN 147 H -0.18 0.23 0.22 -0.55 8.47 8.21 2z5yA1 GLN 147 HA -0.23 0.11 0.55 -0.75 4.36 4.04 2z5yA1 GLN 147 HB2 -0.20 0.06 0.19 -0.04 2.15 2.16 2z5yA1 GLN 147 HB3 -0.26 -0.02 0.18 -0.04 2.02 1.88 2z5yA1 GLN 147 HG2 -0.91 -0.04 -0.21 -0.04 2.40 1.20 2z5yA1 GLN 147 HG3 -0.40 0.00 0.01 -0.04 2.39 1.96 2z5yA1 GLN 147 HE21 -0.12 -0.00 0.01 -0.04 6.97 6.81 2z5yA1 GLN 147 HE22 -0.21 -0.01 0.01 -0.04 7.69 7.44 2z5yA1 HIS 148 H -0.59 0.13 -0.19 -0.55 8.41 7.22 2z5yA1 HIS 148 HA -0.40 0.27 0.91 -0.75 4.63 4.66 2z5yA1 HIS 148 HB2 -2.31 0.06 0.04 -0.04 3.26 1.01 2z5yA1 HIS 148 HB3 -1.33 -0.13 0.17 -0.04 3.20 1.86 2z5yA1 HIS 148 HD2 -0.18 -0.02 0.01 -0.04 6.97 6.73 2z5yA1 HIS 148 HE1 -0.03 0.03 -0.02 -0.04 7.75 7.68 2z5yA1 ALA 149 H -0.23 0.74 -0.53 -0.55 8.40 7.84 2z5yA1 ALA 149 HA -0.02 -0.06 0.02 -0.75 4.34 3.53 2z5yA1 ALA 149 HB3 -0.01 0.03 0.03 -0.04 1.41 1.42 2z5yA1 ASP 150 H -0.05 0.21 -0.16 -0.55 8.40 7.85 2z5yA1 ASP 150 HA 0.05 0.03 0.32 -0.75 4.63 4.28 2z5yA1 ASP 150 HB2 -0.01 -0.01 0.09 -0.04 2.71 2.74 2z5yA1 ASP 150 HB3 0.01 0.02 0.04 -0.04 2.70 2.73 2z5yA1 LYS 151 H -0.01 0.14 -0.09 -0.55 8.42 7.90 2z5yA1 LYS 151 HA 0.09 0.04 0.39 -0.75 4.32 4.09 2z5yA1 LYS 151 HB2 0.05 -0.00 0.12 -0.04 1.87 2.00 2z5yA1 LYS 151 HB3 -0.04 0.12 0.19 -0.04 1.79 2.02 2z5yA1 LYS 151 HG2 0.29 -0.02 -0.21 -0.04 1.46 1.48 2z5yA1 LYS 151 HG3 0.12 -0.01 0.01 -0.04 1.46 1.54 2z5yA1 LYS 151 HD2 0.11 0.01 0.01 -0.04 1.69 1.78 2z5yA1 LYS 151 HD3 0.05 -0.00 -0.00 -0.04 1.68 1.68 2z5yA1 LYS 151 HE2 0.08 0.01 -0.02 -0.04 2.99 3.02 2z5yA1 LYS 151 HE3 0.17 -0.02 -0.05 -0.04 2.99 3.05 2z5yA1 TRP 152 H 0.10 0.61 -0.08 -0.55 7.97 8.06 2z5yA1 TRP 152 HA 0.06 0.03 0.36 -0.75 4.62 4.32 2z5yA1 TRP 152 HB2 0.09 0.07 -0.08 -0.04 3.23 3.27 2z5yA1 TRP 152 HB3 0.09 -0.10 -0.11 -0.04 3.23 3.07 2z5yA1 TRP 152 HD1 0.00 -0.05 -0.13 -0.04 7.22 6.99 2z5yA1 TRP 152 HE1 -0.23 0.01 -0.03 -0.04 10.20 9.90 2z5yA1 TRP 152 HE3 0.08 -0.01 -0.12 -0.04 7.59 7.49 2z5yA1 TRP 152 HZ2 -0.13 0.00 -0.01 -0.04 7.44 7.26 2z5yA1 TRP 152 HZ3 0.05 0.19 -0.05 -0.04 7.13 7.28 2z5yA1 TRP 152 HH2 0.04 0.09 0.07 -0.04 7.19 7.36 2z5yA1 ASP 153 H 0.22 0.80 -0.14 -0.55 8.40 8.74 2z5yA1 ASP 153 HA 0.24 -0.19 0.49 -0.75 4.63 4.42 2z5yA1 ASP 153 HB2 0.17 0.13 0.11 -0.04 2.71 3.08 2z5yA1 ASP 153 HB3 0.12 0.15 0.10 -0.04 2.70 3.03 2z5yA1 LYS 154 H 0.15 0.45 -0.32 -0.55 8.42 8.15 2z5yA1 LYS 154 HA 0.09 -0.02 0.67 -0.75 4.32 4.31 2z5yA1 LYS 154 HB2 0.10 0.19 0.18 -0.04 1.87 2.30 2z5yA1 LYS 154 HB3 0.07 -0.07 0.06 -0.04 1.79 1.81 2z5yA1 LYS 154 HG2 0.05 -0.05 0.05 -0.04 1.46 1.46 2z5yA1 LYS 154 HG3 0.07 0.13 0.07 -0.04 1.46 1.68 2z5yA1 LYS 154 HD2 0.06 0.00 -0.02 -0.04 1.69 1.69 2z5yA1 LYS 154 HD3 0.04 -0.04 -0.00 -0.04 1.68 1.64 2z5yA1 LYS 154 HE2 0.03 -0.00 -0.07 -0.04 2.99 2.91 2z5yA1 LYS 154 HE3 0.03 -0.06 -0.11 -0.04 2.99 2.81 2z5yA1 MET 155 H 0.16 0.25 -0.06 -0.55 8.47 8.28 2z5yA1 MET 155 HA 0.08 0.20 1.06 -0.75 4.52 5.11 2z5yA1 MET 155 HB2 0.06 -0.08 0.14 -0.04 2.15 2.22 2z5yA1 MET 155 HB3 0.09 0.03 0.06 -0.04 2.03 2.17 2z5yA1 MET 155 HG2 0.15 0.13 0.18 -0.04 2.63 3.05 2z5yA1 MET 155 HG3 0.04 -0.05 -0.06 -0.04 2.56 2.45 2z5yA1 MET 155 HE3 -0.00 -0.02 -0.20 -0.04 2.10 1.84 2z5yA1 THR 156 H 0.06 0.08 0.24 -0.55 8.28 8.11 2z5yA1 THR 156 HA 0.09 0.40 0.90 -0.75 4.39 5.02 2z5yA1 THR 156 HB 0.04 0.14 0.25 -0.04 4.32 4.71 2z5yA1 THR 156 HG23 0.07 0.06 0.07 -0.04 1.22 1.38 2z5yA1 MET 157 H 0.02 0.65 0.28 -0.55 8.47 8.87 2z5yA1 MET 157 HA -0.02 0.04 0.42 -0.75 4.52 4.20 2z5yA1 MET 157 HB2 -0.10 0.17 0.16 -0.04 2.15 2.34 2z5yA1 MET 157 HB3 -0.20 -0.05 -0.04 -0.04 2.03 1.70 2z5yA1 MET 157 HG2 0.00 0.08 -0.15 -0.04 2.63 2.53 2z5yA1 MET 157 HG3 -0.78 0.04 -0.04 -0.04 2.56 1.74 2z5yA1 MET 157 HE3 -0.08 -0.01 -0.04 -0.04 2.10 1.93 2z5yA1 LYS 158 H -0.02 0.30 -0.36 -0.55 8.42 7.78 2z5yA1 LYS 158 HA 0.06 0.09 0.53 -0.75 4.32 4.24 2z5yA1 LYS 158 HB2 -0.08 -0.09 -0.21 -0.04 1.87 1.46 2z5yA1 LYS 158 HB3 -0.01 0.05 -0.07 -0.04 1.79 1.72 2z5yA1 LYS 158 HG2 0.00 0.01 -0.03 -0.04 1.46 1.40 2z5yA1 LYS 158 HG3 -0.45 -0.02 0.01 -0.04 1.46 0.96 2z5yA1 LYS 158 HD2 -0.10 -0.02 -0.02 -0.04 1.69 1.51 2z5yA1 LYS 158 HD3 -0.05 0.05 -0.08 -0.04 1.68 1.56 2z5yA1 LYS 158 HE2 -0.40 -0.03 -0.01 -0.04 2.99 2.51 2z5yA1 LYS 158 HE3 -0.13 0.04 -0.01 -0.04 2.99 2.84 2z5yA1 GLU 159 H 0.02 0.13 -0.24 -0.55 8.60 7.95 2z5yA1 GLU 159 HA 0.02 0.09 0.46 -0.75 4.29 4.10 2z5yA1 GLU 159 HB2 0.03 0.14 0.18 -0.04 2.09 2.40 2z5yA1 GLU 159 HB3 0.02 0.05 0.01 -0.04 1.99 2.03 2z5yA1 GLU 159 HG2 0.02 0.06 0.04 -0.04 2.34 2.42 2z5yA1 GLU 159 HG3 0.02 -0.08 0.04 -0.04 2.34 2.28 2z5yA1 LEU 160 H -0.01 0.36 -0.17 -0.55 8.37 8.00 2z5yA1 LEU 160 HA -0.06 0.09 0.47 -0.75 4.35 4.10 2z5yA1 LEU 160 HB2 -0.09 0.02 0.05 -0.04 1.64 1.57 2z5yA1 LEU 160 HB3 -0.08 0.05 0.09 -0.04 1.64 1.67 2z5yA1 LEU 160 HG -0.16 -0.01 -0.16 -0.04 1.64 1.27 2z5yA1 LEU 160 HD13 -0.22 -0.00 0.00 -0.04 0.93 0.67 2z5yA1 LEU 160 HD23 -0.29 0.01 -0.06 -0.04 0.89 0.50 2z5yA1 ILE 161 H -0.02 0.51 -0.21 -0.55 8.25 7.98 2z5yA1 ILE 161 HA -0.11 0.00 0.35 -0.75 4.18 3.67 2z5yA1 ILE 161 HB 0.15 0.06 0.21 -0.04 1.89 2.27 2z5yA1 ILE 161 HG12 -0.09 -0.06 0.01 -0.04 1.49 1.31 2z5yA1 ILE 161 HG13 -0.05 0.13 0.11 -0.04 1.21 1.36 2z5yA1 ILE 161 HG23 -0.18 -0.01 -0.05 -0.04 0.93 0.65 2z5yA1 ILE 161 HD13 0.10 -0.05 -0.19 -0.04 0.88 0.71 2z5yA1 ASP 162 H 0.03 0.62 -0.14 -0.55 8.40 8.36 2z5yA1 ASP 162 HA -0.02 0.04 0.37 -0.75 4.63 4.26 2z5yA1 ASP 162 HB2 0.03 0.04 0.10 -0.04 2.71 2.84 2z5yA1 ASP 162 HB3 0.02 -0.02 0.04 -0.04 2.70 2.70 2z5yA1 LYS 163 H -0.03 0.26 -0.54 -0.55 8.42 7.56 2z5yA1 LYS 163 HA -0.01 0.03 0.54 -0.75 4.32 4.13 2z5yA1 LYS 163 HB2 -0.01 0.04 0.11 -0.04 1.87 1.96 2z5yA1 LYS 163 HB3 -0.04 0.06 0.19 -0.04 1.79 1.96 2z5yA1 LYS 163 HG2 -0.01 -0.05 -0.02 -0.04 1.46 1.34 2z5yA1 LYS 163 HG3 -0.03 -0.02 -0.12 -0.04 1.46 1.25 2z5yA1 LYS 163 HD2 -0.00 0.03 0.11 -0.04 1.69 1.79 2z5yA1 LYS 163 HD3 0.01 -0.02 0.01 -0.04 1.68 1.64 2z5yA1 LYS 163 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.91 2z5yA1 LYS 163 HE3 0.00 -0.03 0.01 -0.04 2.99 2.93 2z5yA1 ILE 164 H -0.08 0.50 -0.03 -0.55 8.25 8.08 2z5yA1 ILE 164 HA -0.07 0.16 0.76 -0.75 4.18 4.27 2z5yA1 ILE 164 HB -0.13 -0.08 0.09 -0.04 1.89 1.73 2z5yA1 ILE 164 HG12 -0.17 0.12 0.06 -0.04 1.49 1.46 2z5yA1 ILE 164 HG13 -0.22 -0.09 -0.09 -0.04 1.21 0.77 2z5yA1 ILE 164 HG23 -0.12 0.03 -0.05 -0.04 0.93 0.75 2z5yA1 ILE 164 HD13 -0.18 -0.01 -0.07 -0.04 0.88 0.57 2z5yA1 CYS 165 H -0.09 0.69 -0.03 -0.55 8.50 8.52 2z5yA1 CYS 165 HA -0.09 0.04 0.94 -0.75 4.58 4.70 2z5yA1 CYS 165 HB2 -0.16 0.12 0.05 -0.04 2.97 2.94 2z5yA1 CYS 165 HB3 -0.16 -0.17 -0.05 -0.04 2.97 2.54 2z5yA1 TRP 166 H 0.12 0.05 0.17 -0.55 7.97 7.76 2z5yA1 TRP 166 HA -0.06 0.29 0.78 -0.75 4.62 4.87 2z5yA1 TRP 166 HB2 -0.06 0.04 0.09 -0.04 3.23 3.26 2z5yA1 TRP 166 HB3 -0.07 -0.12 0.10 -0.04 3.23 3.11 2z5yA1 TRP 166 HD1 -0.03 0.09 0.06 -0.04 7.22 7.29 2z5yA1 TRP 166 HE1 -0.02 0.04 0.01 -0.04 10.20 10.18 2z5yA1 TRP 166 HE3 -0.05 -0.06 -0.13 -0.04 7.59 7.31 2z5yA1 TRP 166 HZ2 -0.02 0.05 -0.01 -0.04 7.44 7.42 2z5yA1 TRP 166 HZ3 -0.03 -0.07 -0.04 -0.04 7.13 6.95 2z5yA1 TRP 166 HH2 -0.02 0.02 -0.01 -0.04 7.19 7.14 2z5yA1 THR 167 H -0.01 -0.00 0.06 -0.55 8.28 7.78 2z5yA1 THR 167 HA -0.72 0.22 0.68 -0.75 4.39 3.82 2z5yA1 THR 167 HB -0.19 -0.03 0.15 -0.04 4.32 4.21 2z5yA1 THR 167 HG23 0.19 0.02 -0.02 -0.04 1.22 1.37 2z5yA1 LYS 168 H -0.38 0.20 0.19 -0.55 8.42 7.86 2z5yA1 LYS 168 HA -0.21 0.17 0.54 -0.75 4.32 4.06 2z5yA1 LYS 168 HB2 -0.25 0.03 0.18 -0.04 1.87 1.79 2z5yA1 LYS 168 HB3 -0.15 0.02 -0.00 -0.04 1.79 1.62 2z5yA1 LYS 168 HG2 -0.10 -0.01 0.04 -0.04 1.46 1.35 2z5yA1 LYS 168 HG3 -0.14 0.06 0.05 -0.04 1.46 1.39 2z5yA1 LYS 168 HD2 -0.15 0.02 0.03 -0.04 1.69 1.56 2z5yA1 LYS 168 HD3 -0.10 -0.01 0.02 -0.04 1.68 1.55 2z5yA1 LYS 168 HE2 -0.05 0.02 0.01 -0.04 2.99 2.92 2z5yA1 LYS 168 HE3 -0.04 -0.01 0.01 -0.04 2.99 2.90 2z5yA1 THR 169 H -0.15 0.05 -0.07 -0.55 8.28 7.56 2z5yA1 THR 169 HA -0.06 0.15 0.37 -0.75 4.39 4.10 2z5yA1 THR 169 HB -0.08 0.03 -0.04 -0.04 4.32 4.18 2z5yA1 THR 169 HG23 -0.07 0.03 0.01 -0.04 1.22 1.15 2z5yA1 ALA 170 H -0.11 0.02 -0.23 -0.55 8.40 7.53 2z5yA1 ALA 170 HA 0.05 0.11 0.38 -0.75 4.34 4.12 2z5yA1 ALA 170 HB3 -0.17 0.03 -0.02 -0.04 1.41 1.21 2z5yA1 ARG 171 H -0.22 0.38 -0.19 -0.55 8.46 7.88 2z5yA1 ARG 171 HA -0.41 0.05 0.56 -0.75 4.34 3.79 2z5yA1 ARG 171 HB2 -0.32 0.03 0.09 -0.04 1.90 1.66 2z5yA1 ARG 171 HB3 -0.71 -0.03 -0.09 -0.04 1.80 0.92 2z5yA1 ARG 171 HG2 -0.19 -0.03 -0.16 -0.04 1.67 1.25 2z5yA1 ARG 171 HG3 -0.21 -0.03 -0.05 -0.04 1.67 1.34 2z5yA1 ARG 171 HD2 -0.20 0.07 -0.24 -0.04 3.22 2.81 2z5yA1 ARG 171 HD3 -0.14 -0.08 -0.05 -0.04 3.22 2.90 2z5yA1 ARG 172 H -0.22 0.56 -0.19 -0.55 8.46 8.05 2z5yA1 ARG 172 HA -0.25 0.00 0.48 -0.75 4.34 3.81 2z5yA1 ARG 172 HB2 -0.04 0.13 0.18 -0.04 1.90 2.14 2z5yA1 ARG 172 HB3 0.03 -0.01 -0.02 -0.04 1.80 1.76 2z5yA1 ARG 172 HG2 0.02 -0.03 0.02 -0.04 1.67 1.64 2z5yA1 ARG 172 HG3 0.05 -0.04 0.04 -0.04 1.67 1.69 2z5yA1 ARG 172 HD2 -0.09 -0.07 -0.01 -0.04 3.22 3.01 2z5yA1 ARG 172 HD3 -0.10 0.40 0.10 -0.04 3.22 3.58 2z5yA1 PHE 173 H 0.12 0.51 -0.11 -0.55 8.34 8.30 2z5yA1 PHE 173 HA 0.14 0.05 0.46 -0.75 4.62 4.52 2z5yA1 PHE 173 HB2 0.18 0.06 0.10 -0.04 3.15 3.44 2z5yA1 PHE 173 HB3 0.13 0.01 0.10 -0.04 3.06 3.26 2z5yA1 PHE 173 HD2 0.45 -0.01 -0.11 -0.04 7.28 7.57 2z5yA1 PHE 173 HE2 0.12 0.03 -0.03 -0.04 7.38 7.46 2z5yA1 PHE 173 HZ 0.30 0.09 0.01 -0.04 7.32 7.68 2z5yA1 ALA 174 H -0.04 0.66 -0.07 -0.55 8.40 8.40 2z5yA1 ALA 174 HA 0.13 0.01 0.37 -0.75 4.34 4.10 2z5yA1 ALA 174 HB3 -0.21 0.02 0.12 -0.04 1.41 1.29 2z5yA1 TYR 175 H -0.16 0.66 -0.13 -0.55 8.29 8.11 2z5yA1 TYR 175 HA -0.04 -0.07 0.36 -0.75 4.56 4.05 2z5yA1 TYR 175 HB2 -0.00 0.15 0.18 -0.04 3.06 3.34 2z5yA1 TYR 175 HB3 -0.01 -0.09 0.05 -0.04 2.98 2.89 2z5yA1 TYR 175 HD2 -0.03 -0.05 0.01 -0.04 7.15 7.04 2z5yA1 TYR 175 HE2 -0.04 -0.01 -0.01 -0.04 6.85 6.75 2z5yA1 LEU 176 H 0.09 0.51 -0.13 -0.55 8.37 8.30 2z5yA1 LEU 176 HA 0.05 -0.04 0.50 -0.75 4.35 4.11 2z5yA1 LEU 176 HB2 0.00 -0.00 0.15 -0.04 1.64 1.75 2z5yA1 LEU 176 HB3 -0.25 0.17 0.22 -0.04 1.64 1.74 2z5yA1 LEU 176 HG -0.04 -0.00 -0.24 -0.04 1.64 1.31 2z5yA1 LEU 176 HD13 0.07 -0.01 0.06 -0.04 0.93 1.01 2z5yA1 LEU 176 HD23 -0.04 -0.01 -0.11 -0.04 0.89 0.68 2z5yA1 PHE 177 H 0.04 0.80 0.02 -0.55 8.34 8.66 2z5yA1 PHE 177 HA -0.00 0.01 0.41 -0.75 4.62 4.28 2z5yA1 PHE 177 HB2 0.03 -0.00 0.07 -0.04 3.15 3.21 2z5yA1 PHE 177 HB3 0.19 0.13 0.19 -0.04 3.06 3.53 2z5yA1 PHE 177 HD2 -0.25 0.02 -0.12 -0.04 7.28 6.89 2z5yA1 PHE 177 HE2 0.03 0.03 -0.07 -0.04 7.38 7.33 2z5yA1 PHE 177 HZ 0.07 -0.02 -0.04 -0.04 7.32 7.29 2z5yA1 VAL 178 H 0.18 0.65 -0.14 -0.55 8.24 8.38 2z5yA1 VAL 178 HA 0.07 0.01 0.45 -0.75 4.13 3.90 2z5yA1 VAL 178 HB -0.05 0.15 0.21 -0.04 2.12 2.38 2z5yA1 VAL 178 HG13 -0.20 0.00 -0.20 -0.04 0.97 0.53 2z5yA1 VAL 178 HG23 -0.63 -0.01 -0.03 -0.04 0.95 0.24 2z5yA1 ASN 179 H 0.03 0.60 0.08 -0.55 8.53 8.70 2z5yA1 ASN 179 HA -0.04 0.04 0.37 -0.75 4.76 4.38 2z5yA1 ASN 179 HB2 0.04 0.24 0.23 -0.04 2.88 3.35 2z5yA1 ASN 179 HB3 0.01 -0.11 -0.06 -0.04 2.79 2.60 2z5yA1 ASN 179 HD21 -0.04 -0.19 -0.07 -0.04 7.03 6.69 2z5yA1 ASN 179 HD22 -0.05 0.22 -0.14 -0.04 7.74 7.73 2z5yA1 ILE 180 H 0.04 0.58 -0.22 -0.55 8.25 8.10 2z5yA1 ILE 180 HA 0.08 -0.03 0.29 -0.75 4.18 3.77 2z5yA1 ILE 180 HB 0.11 0.07 0.10 -0.04 1.89 2.14 2z5yA1 ILE 180 HG12 0.15 -0.08 -0.06 -0.04 1.49 1.46 2z5yA1 ILE 180 HG13 0.10 0.03 -0.04 -0.04 1.21 1.26 2z5yA1 ILE 180 HG23 0.17 -0.00 -0.10 -0.04 0.93 0.96 2z5yA1 ILE 180 HD13 0.19 0.00 -0.10 -0.04 0.88 0.94 2z5yA1 ASN 181 H 0.03 0.44 -0.16 -0.55 8.53 8.29 2z5yA1 ASN 181 HA 0.21 0.12 0.54 -0.75 4.76 4.88 2z5yA1 ASN 181 HB2 0.07 0.10 0.11 -0.04 2.88 3.12 2z5yA1 ASN 181 HB3 0.05 -0.06 -0.06 -0.04 2.79 2.68 2z5yA1 ASN 181 HD21 -1.48 -0.08 -0.07 -0.04 7.03 5.36 2z5yA1 ASN 181 HD22 -1.10 0.15 -0.05 -0.04 7.74 6.69 2z5yA1 VAL 182 H 0.06 0.41 0.04 -0.55 8.24 8.20 2z5yA1 VAL 182 HA 0.02 0.25 0.98 -0.75 4.13 4.63 2z5yA1 VAL 182 HB 0.36 -0.02 0.05 -0.04 2.12 2.47 2z5yA1 VAL 182 HG13 -0.49 -0.01 -0.20 -0.04 0.97 0.23 2z5yA1 VAL 182 HG23 0.23 0.00 -0.16 -0.04 0.95 0.98 2z5yA1 THR 183 H -0.09 0.31 0.04 -0.55 8.28 7.98 2z5yA1 THR 183 HA -0.16 0.26 0.48 -0.75 4.39 4.22 2z5yA1 THR 183 HB -0.27 0.10 0.25 -0.04 4.32 4.36 2z5yA1 THR 183 HG23 -0.92 0.01 -0.11 -0.04 1.22 0.15 2z5yA1 SER 184 H -0.11 0.29 -0.13 -0.55 8.46 7.97 2z5yA1 SER 184 HA -0.18 0.01 0.60 -0.75 4.49 4.15 2z5yA1 SER 184 HB2 -0.61 -0.06 0.03 -0.04 3.95 3.26 2z5yA1 SER 184 HB3 -0.52 0.11 0.11 -0.04 3.93 3.59 2z5yA1 GLU 185 H -0.29 0.18 0.15 -0.55 8.60 8.09 2z5yA1 GLU 185 HA -0.13 0.19 0.57 -0.75 4.29 4.16 2z5yA1 GLU 185 HB2 -0.43 0.03 0.13 -0.04 2.09 1.78 2z5yA1 GLU 185 HB3 -0.09 -0.02 0.10 -0.04 1.99 1.93 2z5yA1 GLU 185 HG2 -0.11 -0.01 0.11 -0.04 2.34 2.29 2z5yA1 GLU 185 HG3 -0.00 0.09 0.08 -0.04 2.34 2.46 2z5yA1 PRO 186 HA -0.16 0.13 0.42 -0.51 4.44 4.33 2z5yA1 PRO 186 HB2 -0.24 -0.02 0.01 -0.04 2.28 2.00 2z5yA1 PRO 186 HB3 -0.08 0.04 -0.14 -0.04 2.02 1.79 2z5yA1 PRO 186 HG2 -0.30 0.03 0.13 -0.04 2.03 1.85 2z5yA1 PRO 186 HG3 -0.03 0.16 0.16 -0.04 2.03 2.28 2z5yA1 PRO 186 HD2 -0.17 0.07 0.25 -0.04 3.68 3.78 2z5yA1 PRO 186 HD3 -0.09 0.32 0.30 -0.04 3.65 4.14 2z5yA1 HIS 187 H -0.08 0.14 -0.24 -0.55 8.41 7.69 2z5yA1 HIS 187 HA -0.06 -0.05 0.54 -0.75 4.63 4.31 2z5yA1 HIS 187 HB2 -0.06 0.05 0.13 -0.04 3.26 3.34 2z5yA1 HIS 187 HB3 -0.13 -0.05 0.09 -0.04 3.20 3.07 2z5yA1 HIS 187 HD2 -0.02 0.05 -0.10 -0.04 6.97 6.85 2z5yA1 HIS 187 HE1 -0.06 -0.00 -0.00 -0.04 7.75 7.64 2z5yA1 GLU 188 H -0.33 0.52 -0.45 -0.55 8.60 7.80 2z5yA1 GLU 188 HA -0.15 0.16 0.60 -0.75 4.29 4.14 2z5yA1 GLU 188 HB2 -0.48 0.11 0.08 -0.04 2.09 1.76 2z5yA1 GLU 188 HB3 -0.34 0.07 0.02 -0.04 1.99 1.69 2z5yA1 GLU 188 HG2 -0.42 0.09 -0.05 -0.04 2.34 1.92 2z5yA1 GLU 188 HG3 -1.02 -0.18 -0.06 -0.04 2.34 1.03 2z5yA1 VAL 189 H -0.05 0.14 -0.05 -0.55 8.24 7.73 2z5yA1 VAL 189 HA 0.22 0.30 0.60 -0.75 4.13 4.50 2z5yA1 VAL 189 HB 0.62 0.04 -0.00 -0.04 2.12 2.74 2z5yA1 VAL 189 HG13 -0.19 0.03 -0.25 -0.04 0.97 0.53 2z5yA1 VAL 189 HG23 0.10 -0.01 -0.11 -0.04 0.95 0.89 2z5yA1 SER 190 H 0.35 0.92 0.32 -0.55 8.46 9.50 2z5yA1 SER 190 HA 0.22 0.25 0.71 -0.75 4.49 4.91 2z5yA1 SER 190 HB2 0.24 0.08 -0.07 -0.04 3.95 4.16 2z5yA1 SER 190 HB3 0.38 0.16 0.03 -0.04 3.93 4.45 2z5yA1 ALA 191 H 0.18 0.85 0.24 -0.55 8.40 9.13 2z5yA1 ALA 191 HA 0.17 -0.01 0.44 -0.75 4.34 4.20 2z5yA1 ALA 191 HB3 0.04 0.05 -0.10 -0.04 1.41 1.36 2z5yA1 LEU 192 H 0.28 0.34 -0.28 -0.55 8.37 8.17 2z5yA1 LEU 192 HA 0.39 0.09 0.31 -0.75 4.35 4.38 2z5yA1 LEU 192 HB2 0.39 -0.04 -0.25 -0.04 1.64 1.70 2z5yA1 LEU 192 HB3 0.28 -0.08 -0.06 -0.04 1.64 1.74 2z5yA1 LEU 192 HG 0.21 0.02 -0.48 -0.04 1.64 1.35 2z5yA1 LEU 192 HD13 0.31 0.03 -0.07 -0.04 0.93 1.16 2z5yA1 LEU 192 HD23 0.15 0.02 -0.16 -0.04 0.89 0.86 2z5yA1 TRP 193 H 0.44 0.07 -0.24 -0.55 7.97 7.69 2z5yA1 TRP 193 HA 0.13 0.08 0.38 -0.75 4.62 4.45 2z5yA1 TRP 193 HB2 -0.05 -0.03 0.08 -0.04 3.23 3.18 2z5yA1 TRP 193 HB3 0.24 0.11 0.13 -0.04 3.23 3.68 2z5yA1 TRP 193 HD1 -0.43 0.02 -0.01 -0.04 7.22 6.76 2z5yA1 TRP 193 HE1 0.66 0.09 -0.08 -0.04 10.20 10.83 2z5yA1 TRP 193 HE3 0.33 0.09 -0.02 -0.04 7.59 7.95 2z5yA1 TRP 193 HZ2 0.26 0.14 -0.02 -0.04 7.44 7.78 2z5yA1 TRP 193 HZ3 0.21 -0.00 -0.06 -0.04 7.13 7.24 2z5yA1 TRP 193 HH2 -0.03 0.10 -0.00 -0.04 7.19 7.21 2z5yA1 PHE 194 H 0.48 0.57 -0.24 -0.55 8.34 8.59 2z5yA1 PHE 194 HA -0.53 0.05 0.37 -0.75 4.62 3.76 2z5yA1 PHE 194 HB2 0.14 0.04 0.01 -0.04 3.15 3.30 2z5yA1 PHE 194 HB3 0.06 0.02 0.04 -0.04 3.06 3.14 2z5yA1 PHE 194 HD2 -0.04 0.02 -0.17 -0.04 7.28 7.04 2z5yA1 PHE 194 HE2 0.13 0.02 -0.10 -0.04 7.38 7.39 2z5yA1 PHE 194 HZ 0.15 0.06 -0.18 -0.04 7.32 7.31 2z5yA1 LEU 195 H 0.19 0.69 -0.10 -0.55 8.37 8.61 2z5yA1 LEU 195 HA -0.00 -0.02 0.46 -0.75 4.35 4.03 2z5yA1 LEU 195 HB2 0.11 0.07 0.07 -0.04 1.64 1.84 2z5yA1 LEU 195 HB3 -0.02 -0.00 -0.06 -0.04 1.64 1.51 2z5yA1 LEU 195 HG 0.06 0.15 0.10 -0.04 1.64 1.91 2z5yA1 LEU 195 HD13 -0.47 -0.04 -0.16 -0.04 0.93 0.22 2z5yA1 LEU 195 HD23 -0.07 -0.02 0.00 -0.04 0.89 0.76 2z5yA1 TRP 196 H 0.24 0.49 -0.24 -0.55 7.97 7.91 2z5yA1 TRP 196 HA -0.10 0.05 0.36 -0.75 4.62 4.18 2z5yA1 TRP 196 HB2 -0.03 -0.02 0.04 -0.04 3.23 3.18 2z5yA1 TRP 196 HB3 -0.11 0.09 0.16 -0.04 3.23 3.32 2z5yA1 TRP 196 HD1 -0.11 0.00 -0.19 -0.04 7.22 6.89 2z5yA1 TRP 196 HE1 -0.10 0.54 0.22 -0.04 10.20 10.82 2z5yA1 TRP 196 HE3 -0.32 0.06 -0.02 -0.04 7.59 7.27 2z5yA1 TRP 196 HZ2 0.04 0.08 0.05 -0.04 7.44 7.57 2z5yA1 TRP 196 HZ3 0.50 -0.03 -0.08 -0.04 7.13 7.49 2z5yA1 TRP 196 HH2 0.21 0.06 -0.07 -0.04 7.19 7.35 2z5yA1 TYR 197 H -0.07 0.83 0.02 -0.55 8.29 8.53 2z5yA1 TYR 197 HA -1.03 -0.00 0.33 -0.75 4.56 3.10 2z5yA1 TYR 197 HB2 -1.22 0.05 0.06 -0.04 3.06 1.91 2z5yA1 TYR 197 HB3 -0.98 0.01 0.06 -0.04 2.98 2.03 2z5yA1 TYR 197 HD2 -0.12 -0.03 -0.20 -0.04 7.15 6.76 2z5yA1 TYR 197 HE2 0.25 -0.03 -0.11 -0.04 6.85 6.93 2z5yA1 VAL 198 H -0.48 0.72 -0.25 -0.55 8.24 7.68 2z5yA1 VAL 198 HA -0.36 0.06 0.43 -0.75 4.13 3.50 2z5yA1 VAL 198 HB -0.22 0.14 0.06 -0.04 2.12 2.06 2z5yA1 VAL 198 HG13 -0.03 -0.03 -0.32 -0.04 0.97 0.55 2z5yA1 VAL 198 HG23 -0.47 0.02 -0.07 -0.04 0.95 0.39 2z5yA1 LYS 199 H -0.35 0.70 -0.06 -0.55 8.42 8.16 2z5yA1 LYS 199 HA -0.25 -0.11 0.41 -0.75 4.32 3.62 2z5yA1 LYS 199 HB2 -0.15 -0.05 0.12 -0.04 1.87 1.75 2z5yA1 LYS 199 HB3 -0.32 0.13 0.22 -0.04 1.79 1.78 2z5yA1 LYS 199 HG2 -0.24 -0.08 -0.23 -0.04 1.46 0.87 2z5yA1 LYS 199 HG3 -0.12 -0.07 -0.09 -0.04 1.46 1.13 2z5yA1 LYS 199 HD2 -0.02 0.19 -0.02 -0.04 1.69 1.80 2z5yA1 LYS 199 HD3 -0.14 -0.04 -0.08 -0.04 1.68 1.37 2z5yA1 LYS 199 HE2 -0.03 -0.15 0.04 -0.04 2.99 2.81 2z5yA1 LYS 199 HE3 -0.10 -0.14 -0.04 -0.04 2.99 2.67 2z5yA1 GLN 200 H -0.89 0.80 -0.15 -0.55 8.47 7.68 2z5yA1 GLN 200 HA -0.56 0.06 0.41 -0.75 4.36 3.52 2z5yA1 GLN 200 HB2 -0.72 -0.03 0.06 -0.04 2.15 1.42 2z5yA1 GLN 200 HB3 -1.19 0.04 0.06 -0.04 2.02 0.90 2z5yA1 GLN 200 HG2 -3.20 -0.03 -0.18 -0.04 2.40 -1.05 2z5yA1 GLN 200 HG3 -1.37 0.31 0.08 -0.04 2.39 1.38 2z5yA1 GLN 200 HE21 -0.80 0.10 -0.07 -0.04 6.97 6.16 2z5yA1 GLN 200 HE22 -1.61 0.25 0.03 -0.04 7.69 6.31 2z5yA1 CYS 201 H -0.81 0.39 -0.51 -0.55 8.50 7.03 2z5yA1 CYS 201 HA -2.17 0.05 0.98 -0.75 4.58 2.68 2z5yA1 CYS 201 HB2 -0.77 0.11 0.09 -0.04 2.97 2.36 2z5yA1 CYS 201 HB3 -1.70 -0.05 0.15 -0.04 2.97 1.34 2z5yA1 GLY 202 H -0.55 0.57 -0.14 -0.55 8.43 7.76 2z5yA1 GLY 202 HA2 -0.25 -0.01 0.34 -0.51 4.01 3.58 2z5yA1 GLY 202 HA3 -0.26 0.14 0.79 -0.51 4.01 4.16 2z5yA1 GLY 203 H -0.30 0.50 0.03 -0.55 8.43 8.11 2z5yA1 GLY 203 HA2 -0.10 0.03 0.23 -0.51 4.01 3.66 2z5yA1 GLY 203 HA3 -0.05 0.14 0.85 -0.51 4.01 4.44 2z5yA1 THR 204 H 0.03 0.15 0.09 -0.55 8.28 8.00 2z5yA1 THR 204 HA 0.24 0.12 0.31 -0.75 4.39 4.31 2z5yA1 THR 204 HB -0.17 0.03 0.00 -0.04 4.32 4.14 2z5yA1 THR 204 HG23 0.10 0.01 0.04 -0.04 1.22 1.33 2z5yA1 THR 205 H 0.12 0.10 -0.11 -0.55 8.28 7.84 2z5yA1 THR 205 HA 0.33 0.08 0.43 -0.75 4.39 4.47 2z5yA1 THR 205 HB 0.07 0.01 0.07 -0.04 4.32 4.43 2z5yA1 THR 205 HG23 0.07 0.02 -0.12 -0.04 1.22 1.16 2z5yA1 ARG 206 H 0.06 0.11 -0.23 -0.55 8.46 7.84 2z5yA1 ARG 206 HA 0.09 0.12 0.38 -0.75 4.34 4.17 2z5yA1 ARG 206 HB2 0.03 -0.04 0.08 -0.04 1.90 1.93 2z5yA1 ARG 206 HB3 -0.04 0.12 -0.13 -0.04 1.80 1.71 2z5yA1 ARG 206 HG2 0.15 0.08 0.05 -0.04 1.67 1.91 2z5yA1 ARG 206 HG3 0.37 -0.09 -0.13 -0.04 1.67 1.78 2z5yA1 ARG 206 HD2 0.19 0.05 -0.05 -0.04 3.22 3.37 2z5yA1 ARG 206 HD3 0.10 0.16 0.21 -0.04 3.22 3.65 2z5yA1 ILE 207 H 0.08 0.37 -0.36 -0.55 8.25 7.79 2z5yA1 ILE 207 HA 0.24 0.04 0.37 -0.75 4.18 4.08 2z5yA1 ILE 207 HB -0.09 0.12 0.01 -0.04 1.89 1.89 2z5yA1 ILE 207 HG12 0.18 -0.01 -0.04 -0.04 1.49 1.58 2z5yA1 ILE 207 HG13 0.16 -0.02 0.07 -0.04 1.21 1.38 2z5yA1 ILE 207 HG23 0.19 -0.01 -0.12 -0.04 0.93 0.95 2z5yA1 ILE 207 HD13 0.00 -0.00 -0.06 -0.04 0.88 0.78 2z5yA1 PHE 208 H 0.24 0.30 -0.33 -0.55 8.34 7.99 2z5yA1 PHE 208 HA -0.04 0.11 0.38 -0.75 4.62 4.32 2z5yA1 PHE 208 HB2 0.23 -0.01 0.06 -0.04 3.15 3.39 2z5yA1 PHE 208 HB3 -0.28 0.01 0.05 -0.04 3.06 2.80 2z5yA1 PHE 208 HD2 -0.74 0.02 -0.08 -0.04 7.28 6.43 2z5yA1 PHE 208 HE2 -0.05 0.01 0.03 -0.04 7.38 7.33 2z5yA1 PHE 208 HZ 0.15 -0.05 -0.00 -0.04 7.32 7.37 2z5yA1 SER 209 H 0.04 0.36 -0.13 -0.55 8.46 8.19 2z5yA1 SER 209 HA -0.17 0.05 0.36 -0.75 4.49 3.98 2z5yA1 SER 209 HB2 -0.00 0.01 -0.29 -0.04 3.95 3.62 2z5yA1 SER 209 HB3 -0.04 0.05 -0.19 -0.04 3.93 3.71 2z5yA1 VAL 210 H -0.13 0.11 0.06 -0.55 8.24 7.73 2z5yA1 VAL 210 HA -0.17 0.03 0.32 -0.75 4.13 3.56 2z5yA1 VAL 210 HB -0.12 -0.11 0.14 -0.04 2.12 2.00 2z5yA1 VAL 210 HG13 -0.13 0.07 -0.21 -0.04 0.97 0.66 2z5yA1 VAL 210 HG23 -0.22 0.03 -0.06 -0.04 0.95 0.66 2z5yA1 THR 211 H -0.07 0.12 0.09 -0.55 8.28 7.87 2z5yA1 THR 211 HA -0.05 0.05 0.49 -0.75 4.39 4.13 2z5yA1 THR 211 HB -0.02 -0.02 0.12 -0.04 4.32 4.36 2z5yA1 THR 211 HG23 -0.01 0.01 -0.06 -0.04 1.22 1.11 2z5yA1 ASN 212 H -0.04 0.13 0.25 -0.55 8.53 8.32 2z5yA1 ASN 212 HA -0.02 -0.00 0.38 -0.75 4.76 4.36 2z5yA1 ASN 212 HB2 -0.01 -0.10 -0.22 -0.04 2.88 2.51 2z5yA1 ASN 212 HB3 -0.00 0.12 0.02 -0.04 2.79 2.89 2z5yA1 ASN 212 HD21 -0.00 0.44 -0.11 -0.04 7.03 7.31 2z5yA1 ASN 212 HD22 -0.00 -0.09 -0.07 -0.04 7.74 7.53 2z5yA1 GLY 213 H -0.05 0.43 -0.57 -0.55 8.43 7.69 2z5yA1 GLY 213 HA2 0.06 0.20 0.86 -0.51 4.01 4.62 2z5yA1 GLY 213 HA3 0.01 0.03 0.11 -0.51 4.01 3.65 2z5yA1 GLY 214 H 0.08 0.47 0.17 -0.55 8.43 8.60 2z5yA1 GLY 214 HA2 -0.39 -0.05 0.16 -0.51 4.01 3.23 2z5yA1 GLY 214 HA3 -0.06 0.07 0.30 -0.51 4.01 3.81 2z5yA1 GLN 215 H -0.12 0.55 -0.17 -0.55 8.47 8.18 2z5yA1 GLN 215 HA -0.17 0.09 0.78 -0.75 4.36 4.30 2z5yA1 GLN 215 HB2 -0.26 0.09 -0.12 -0.04 2.15 1.82 2z5yA1 GLN 215 HB3 -0.48 -0.07 0.09 -0.04 2.02 1.52 2z5yA1 GLN 215 HG2 -0.35 -0.01 -0.08 -0.04 2.40 1.91 2z5yA1 GLN 215 HG3 -0.44 -0.07 -0.05 -0.04 2.39 1.78 2z5yA1 GLN 215 HE21 -0.04 0.32 -0.15 -0.04 6.97 7.06 2z5yA1 GLN 215 HE22 -0.22 0.02 -0.41 -0.04 7.69 7.03 2z5yA1 GLU 216 H -0.13 0.42 -0.28 -0.55 8.60 8.06 2z5yA1 GLU 216 HA -0.11 -0.12 0.23 -0.75 4.29 3.54 2z5yA1 GLU 216 HB2 -0.10 0.18 0.29 -0.04 2.09 2.41 2z5yA1 GLU 216 HB3 -0.12 -0.01 0.16 -0.04 1.99 1.98 2z5yA1 GLU 216 HG2 -0.08 -0.03 -0.01 -0.04 2.34 2.18 2z5yA1 GLU 216 HG3 -0.07 -0.11 0.07 -0.04 2.34 2.20 2z5yA1 ARG 217 H -0.14 0.49 -0.07 -0.55 8.46 8.19 2z5yA1 ARG 217 HA -0.21 0.14 1.24 -0.75 4.34 4.75 2z5yA1 ARG 217 HB2 -0.23 0.02 -0.09 -0.04 1.90 1.56 2z5yA1 ARG 217 HB3 -0.28 0.03 0.06 -0.04 1.80 1.56 2z5yA1 ARG 217 HG2 -0.13 -0.02 -0.43 -0.04 1.67 1.05 2z5yA1 ARG 217 HG3 -0.12 -0.02 -0.60 -0.04 1.67 0.89 2z5yA1 ARG 217 HD2 -0.13 -0.03 -0.21 -0.04 3.22 2.81 2z5yA1 ARG 217 HD3 -0.10 -0.04 -0.20 -0.04 3.22 2.84 2z5yA1 LYS 218 H -0.57 0.61 0.38 -0.55 8.42 8.29 2z5yA1 LYS 218 HA -0.43 0.29 0.76 -0.75 4.32 4.18 2z5yA1 LYS 218 HB2 -0.92 0.04 -0.02 -0.04 1.87 0.93 2z5yA1 LYS 218 HB3 -0.26 -0.01 0.02 -0.04 1.79 1.50 2z5yA1 LYS 218 HG2 -0.41 -0.05 -0.01 -0.04 1.46 0.94 2z5yA1 LYS 218 HG3 -0.12 0.08 -0.21 -0.04 1.46 1.17 2z5yA1 LYS 218 HD2 0.04 -0.03 -0.04 -0.04 1.69 1.62 2z5yA1 LYS 218 HD3 -0.01 0.00 -0.04 -0.04 1.68 1.60 2z5yA1 LYS 218 HE2 0.08 0.01 -0.07 -0.04 2.99 2.97 2z5yA1 LYS 218 HE3 -0.38 -0.03 -0.16 -0.04 2.99 2.39 2z5yA1 PHE 219 H -0.08 0.15 0.13 -0.55 8.34 7.99 2z5yA1 PHE 219 HA 0.02 0.29 0.95 -0.75 4.62 5.12 2z5yA1 PHE 219 HB2 -0.00 -0.26 -0.24 -0.04 3.15 2.61 2z5yA1 PHE 219 HB3 -0.00 0.22 -0.24 -0.04 3.06 2.99 2z5yA1 PHE 219 HD2 -0.03 0.01 -0.24 -0.04 7.28 6.98 2z5yA1 PHE 219 HE2 -0.05 -0.02 -0.20 -0.04 7.38 7.07 2z5yA1 PHE 219 HZ -0.06 -0.05 -0.22 -0.04 7.32 6.96 2z5yA1 VAL 220 H 0.30 0.90 0.27 -0.55 8.24 9.16 2z5yA1 VAL 220 HA 0.30 -0.00 0.46 -0.75 4.13 4.13 2z5yA1 VAL 220 HB 0.11 -0.01 0.16 -0.04 2.12 2.34 2z5yA1 VAL 220 HG13 0.02 0.00 -0.07 -0.04 0.97 0.87 2z5yA1 VAL 220 HG23 0.21 0.01 -0.21 -0.04 0.95 0.92 2z5yA1 GLY 221 H -0.30 0.15 0.19 -0.55 8.43 7.92 2z5yA1 GLY 221 HA2 -1.61 -0.00 0.30 -0.51 4.01 2.18 2z5yA1 GLY 221 HA3 -0.40 0.17 0.41 -0.51 4.01 3.68 2z5yA1 GLY 222 H 0.07 0.44 -0.65 -0.55 8.43 7.75 2z5yA1 GLY 222 HA2 0.20 0.04 0.32 -0.51 4.01 4.05 2z5yA1 GLY 222 HA3 0.10 0.05 0.44 -0.51 4.01 4.09 2z5yA1 SER 223 H 0.15 0.20 0.15 -0.55 8.46 8.41 2z5yA1 SER 223 HA -0.06 0.18 0.36 -0.75 4.49 4.22 2z5yA1 SER 223 HB2 0.22 -0.02 0.02 -0.04 3.95 4.13 2z5yA1 SER 223 HB3 0.29 0.08 0.13 -0.04 3.93 4.39 2z5yA1 GLY 224 H 0.07 0.10 -0.23 -0.55 8.43 7.83 2z5yA1 GLY 224 HA2 0.07 0.09 0.34 -0.51 4.01 3.99 2z5yA1 GLY 224 HA3 0.10 0.03 0.23 -0.51 4.01 3.86 2z5yA1 GLN 225 H -0.04 0.32 -0.52 -0.55 8.47 7.68 2z5yA1 GLN 225 HA -0.04 0.02 0.22 -0.75 4.36 3.80 2z5yA1 GLN 225 HB2 -0.14 0.10 -0.12 -0.04 2.15 1.94 2z5yA1 GLN 225 HB3 -0.09 0.03 -0.02 -0.04 2.02 1.90 2z5yA1 GLN 225 HG2 -0.07 -0.06 -0.05 -0.04 2.40 2.18 2z5yA1 GLN 225 HG3 -0.08 0.01 -0.15 -0.04 2.39 2.13 2z5yA1 GLN 225 HE21 -0.10 0.39 0.14 -0.04 6.97 7.37 2z5yA1 GLN 225 HE22 -0.10 0.26 -0.24 -0.04 7.69 7.58 2z5yA1 VAL 226 H -0.15 0.33 -0.53 -0.55 8.24 7.34 2z5yA1 VAL 226 HA -0.17 0.15 0.33 -0.75 4.13 3.70 2z5yA1 VAL 226 HB -0.11 0.04 0.09 -0.04 2.12 2.09 2z5yA1 VAL 226 HG13 -0.08 -0.01 -0.19 -0.04 0.97 0.64 2z5yA1 VAL 226 HG23 -0.44 -0.00 -0.02 -0.04 0.95 0.45 2z5yA1 SER 227 H -0.04 0.24 -0.18 -0.55 8.46 7.94 2z5yA1 SER 227 HA -0.03 0.09 0.38 -0.75 4.49 4.18 2z5yA1 SER 227 HB2 0.00 0.15 -0.08 -0.04 3.95 3.98 2z5yA1 SER 227 HB3 -0.01 -0.01 -0.13 -0.04 3.93 3.74 2z5yA1 GLU 228 H -0.02 0.50 -0.08 -0.55 8.60 8.45 2z5yA1 GLU 228 HA -0.01 0.01 0.37 -0.75 4.29 3.90 2z5yA1 GLU 228 HB2 -0.02 0.02 0.07 -0.04 2.09 2.12 2z5yA1 GLU 228 HB3 -0.02 0.06 -0.06 -0.04 1.99 1.93 2z5yA1 GLU 228 HG2 0.01 0.02 0.00 -0.04 2.34 2.33 2z5yA1 GLU 228 HG3 0.02 -0.05 0.01 -0.04 2.34 2.28 2z5yA1 ARG 229 H -0.05 0.49 -0.32 -0.55 8.46 8.03 2z5yA1 ARG 229 HA -0.03 0.05 0.36 -0.75 4.34 3.97 2z5yA1 ARG 229 HB2 -0.06 0.16 0.09 -0.04 1.90 2.04 2z5yA1 ARG 229 HB3 -0.04 0.01 0.03 -0.04 1.80 1.76 2z5yA1 ARG 229 HG2 -0.04 -0.06 -0.01 -0.04 1.67 1.52 2z5yA1 ARG 229 HG3 -0.05 -0.07 0.01 -0.04 1.67 1.53 2z5yA1 ARG 229 HD2 -0.08 0.01 -0.05 -0.04 3.22 3.07 2z5yA1 ARG 229 HD3 -0.05 0.14 0.05 -0.04 3.22 3.32 2z5yA1 ILE 230 H -0.04 0.30 -0.18 -0.55 8.25 7.78 2z5yA1 ILE 230 HA -0.03 0.11 0.61 -0.75 4.18 4.11 2z5yA1 ILE 230 HB -0.03 -0.01 0.08 -0.04 1.89 1.89 2z5yA1 ILE 230 HG12 -0.03 0.02 -0.02 -0.04 1.49 1.42 2z5yA1 ILE 230 HG13 -0.04 0.16 0.04 -0.04 1.21 1.33 2z5yA1 ILE 230 HG23 -0.03 -0.01 -0.19 -0.04 0.93 0.66 2z5yA1 ILE 230 HD13 -0.03 -0.04 -0.18 -0.04 0.88 0.58 2z5yA1 MET 231 H -0.03 0.52 -0.26 -0.55 8.47 8.16 2z5yA1 MET 231 HA -0.03 0.03 0.34 -0.75 4.52 4.09 2z5yA1 MET 231 HB2 -0.03 -0.08 0.05 -0.04 2.15 2.05 2z5yA1 MET 231 HB3 -0.02 0.15 0.12 -0.04 2.03 2.24 2z5yA1 MET 231 HG2 -0.03 0.06 -0.15 -0.04 2.63 2.47 2z5yA1 MET 231 HG3 -0.04 -0.01 0.02 -0.04 2.56 2.49 2z5yA1 MET 231 HE3 -0.02 -0.00 -0.01 -0.04 2.10 2.03 2z5yA1 ASP 232 H -0.02 0.16 -0.40 -0.55 8.40 7.59 2z5yA1 ASP 232 HA -0.02 0.01 0.42 -0.75 4.63 4.29 2z5yA1 ASP 232 HB2 -0.02 0.17 0.22 -0.04 2.71 3.03 2z5yA1 ASP 232 HB3 -0.02 -0.02 -0.00 -0.04 2.70 2.62 2z5yA1 LEU 233 H -0.02 0.51 -0.08 -0.55 8.37 8.22 2z5yA1 LEU 233 HA -0.01 -0.00 0.45 -0.75 4.35 4.03 2z5yA1 LEU 233 HB2 -0.02 0.14 0.11 -0.04 1.64 1.83 2z5yA1 LEU 233 HB3 -0.02 -0.03 -0.00 -0.04 1.64 1.55 2z5yA1 LEU 233 HG -0.02 0.13 0.14 -0.04 1.64 1.84 2z5yA1 LEU 233 HD13 -0.02 -0.03 0.02 -0.04 0.93 0.86 2z5yA1 LEU 233 HD23 -0.02 -0.01 0.03 -0.04 0.89 0.85 2z5yA1 LEU 234 H -0.02 0.26 -0.68 -0.55 8.37 7.39 2z5yA1 LEU 234 HA -0.01 0.12 0.48 -0.75 4.35 4.18 2z5yA1 LEU 234 HB2 -0.04 0.03 -0.03 -0.04 1.64 1.56 2z5yA1 LEU 234 HB3 -0.04 -0.10 -0.10 -0.04 1.64 1.36 2z5yA1 LEU 234 HG -0.03 0.31 -0.10 -0.04 1.64 1.78 2z5yA1 LEU 234 HD13 -0.04 -0.05 -0.22 -0.04 0.93 0.59 2z5yA1 LEU 234 HD23 -0.02 0.02 -0.21 -0.04 0.89 0.64 2z5yA1 GLY 235 H -0.02 0.37 -0.22 -0.55 8.43 8.02 2z5yA1 GLY 235 HA2 -0.01 0.05 0.37 -0.51 4.01 3.90 2z5yA1 GLY 235 HA3 -0.01 -0.03 0.44 -0.51 4.01 3.90 2z5yA1 ASP 236 H 0.00 0.17 0.27 -0.55 8.40 8.29 2z5yA1 ASP 236 HA -0.02 0.21 0.52 -0.75 4.63 4.58 2z5yA1 ASP 236 HB2 0.01 0.01 0.18 -0.04 2.71 2.87 2z5yA1 ASP 236 HB3 0.01 -0.04 0.08 -0.04 2.70 2.70 2z5yA1 GLN 237 H -0.02 0.50 -0.27 -0.55 8.47 8.13 2z5yA1 GLN 237 HA -0.07 0.13 0.82 -0.75 4.36 4.48 2z5yA1 GLN 237 HB2 -0.03 0.07 0.13 -0.04 2.15 2.29 2z5yA1 GLN 237 HB3 -0.05 0.26 0.33 -0.04 2.02 2.52 2z5yA1 GLN 237 HG2 0.03 0.02 0.10 -0.04 2.40 2.50 2z5yA1 GLN 237 HG3 0.05 -0.04 0.12 -0.04 2.39 2.49 2z5yA1 GLN 237 HE21 0.14 -0.00 -0.07 -0.04 6.97 7.00 2z5yA1 GLN 237 HE22 0.07 -0.07 -0.09 -0.04 7.69 7.55 2z5yA1 VAL 238 H -0.07 0.35 -0.31 -0.55 8.24 7.66 2z5yA1 VAL 238 HA -0.15 0.17 0.93 -0.75 4.13 4.33 2z5yA1 VAL 238 HB -0.07 0.14 0.05 -0.04 2.12 2.20 2z5yA1 VAL 238 HG13 -0.08 -0.06 -0.27 -0.04 0.97 0.52 2z5yA1 VAL 238 HG23 -0.07 -0.03 -0.17 -0.04 0.95 0.64 2z5yA1 LYS 239 H -0.21 0.64 0.18 -0.55 8.42 8.47 2z5yA1 LYS 239 HA -0.15 0.13 0.93 -0.75 4.32 4.48 2z5yA1 LYS 239 HB2 -0.52 0.00 0.15 -0.04 1.87 1.46 2z5yA1 LYS 239 HB3 -0.81 0.06 -0.03 -0.04 1.79 0.97 2z5yA1 LYS 239 HG2 -0.23 0.01 -0.03 -0.04 1.46 1.17 2z5yA1 LYS 239 HG3 -0.29 0.05 -0.33 -0.04 1.46 0.86 2z5yA1 LYS 239 HD2 -0.76 -0.05 -0.08 -0.04 1.69 0.76 2z5yA1 LYS 239 HD3 -0.41 -0.03 -0.05 -0.04 1.68 1.15 2z5yA1 LYS 239 HE2 -0.23 0.07 -0.08 -0.04 2.99 2.71 2z5yA1 LYS 239 HE3 -0.18 -0.02 -0.06 -0.04 2.99 2.68 2z5yA1 LEU 240 H -0.04 0.14 0.06 -0.55 8.37 7.99 2z5yA1 LEU 240 HA -0.04 0.09 0.61 -0.75 4.35 4.25 2z5yA1 LEU 240 HB2 0.00 0.01 -0.00 -0.04 1.64 1.61 2z5yA1 LEU 240 HB3 -0.03 -0.02 0.17 -0.04 1.64 1.72 2z5yA1 LEU 240 HG -0.04 0.02 -0.10 -0.04 1.64 1.47 2z5yA1 LEU 240 HD13 -0.02 0.02 -0.13 -0.04 0.93 0.77 2z5yA1 LEU 240 HD23 -0.05 -0.04 -0.30 -0.04 0.89 0.46 2z5yA1 ASN 241 H -0.05 0.68 -0.05 -0.55 8.53 8.56 2z5yA1 ASN 241 HA -0.09 0.19 0.19 -0.75 4.76 4.31 2z5yA1 ASN 241 HB2 -0.00 0.11 -0.05 -0.04 2.88 2.90 2z5yA1 ASN 241 HB3 -0.06 -0.04 0.14 -0.04 2.79 2.79 2z5yA1 ASN 241 HD21 -0.00 -0.03 -0.05 -0.04 7.03 6.91 2z5yA1 ASN 241 HD22 0.02 0.09 -0.26 -0.04 7.74 7.55 2z5yA1 HIS 242 H 0.02 0.71 -0.28 -0.55 8.41 8.31 2z5yA1 HIS 242 HA -0.06 0.13 0.80 -0.75 4.63 4.74 2z5yA1 HIS 242 HB2 -0.12 0.05 -0.04 -0.04 3.26 3.10 2z5yA1 HIS 242 HB3 -0.09 -0.09 -0.02 -0.04 3.20 2.96 2z5yA1 HIS 242 HD2 0.12 -0.07 -0.10 -0.04 6.97 6.87 2z5yA1 HIS 242 HE1 0.02 -0.04 -0.06 -0.04 7.75 7.63 2z5yA1 PRO 243 HA -0.10 -0.05 0.46 -0.51 4.44 4.25 2z5yA1 PRO 243 HB2 0.02 0.05 0.00 -0.04 2.28 2.32 2z5yA1 PRO 243 HB3 0.01 0.02 0.06 -0.04 2.02 2.06 2z5yA1 PRO 243 HG2 -0.00 0.04 0.06 -0.04 2.03 2.08 2z5yA1 PRO 243 HG3 -0.17 0.11 0.07 -0.04 2.03 2.00 2z5yA1 PRO 243 HD2 -0.11 -0.02 0.08 -0.04 3.68 3.59 2z5yA1 PRO 243 HD3 -0.13 0.21 -0.48 -0.04 3.65 3.22 2z5yA1 VAL 244 H -0.03 0.06 0.15 -0.55 8.24 7.87 2z5yA1 VAL 244 HA 0.00 0.14 0.57 -0.75 4.13 4.09 2z5yA1 VAL 244 HB -0.03 -0.07 0.09 -0.04 2.12 2.06 2z5yA1 VAL 244 HG13 -0.05 0.02 -0.20 -0.04 0.97 0.70 2z5yA1 VAL 244 HG23 -0.02 0.02 -0.08 -0.04 0.95 0.83 2z5yA1 THR 245 H 0.02 0.75 0.45 -0.55 8.28 8.95 2z5yA1 THR 245 HA -0.13 0.20 0.91 -0.75 4.39 4.62 2z5yA1 THR 245 HB -0.04 -0.01 0.02 -0.04 4.32 4.24 2z5yA1 THR 245 HG23 0.01 0.01 -0.24 -0.04 1.22 0.96 2z5yA1 HIS 246 H 0.08 0.27 0.36 -0.55 8.41 8.57 2z5yA1 HIS 246 HA -0.05 0.38 1.11 -0.75 4.63 5.32 2z5yA1 HIS 246 HB2 0.05 -0.12 0.08 -0.04 3.26 3.23 2z5yA1 HIS 246 HB3 0.04 0.05 -0.02 -0.04 3.20 3.23 2z5yA1 HIS 246 HD2 0.04 0.01 -0.03 -0.04 6.97 6.95 2z5yA1 HIS 246 HE1 0.08 -0.01 -0.07 -0.04 7.75 7.70 2z5yA1 VAL 247 H -0.09 0.75 0.28 -0.55 8.24 8.63 2z5yA1 VAL 247 HA 0.05 0.24 0.94 -0.75 4.13 4.60 2z5yA1 VAL 247 HB -0.30 -0.01 0.05 -0.04 2.12 1.81 2z5yA1 VAL 247 HG13 0.20 -0.00 -0.16 -0.04 0.97 0.97 2z5yA1 VAL 247 HG23 -0.13 -0.02 -0.27 -0.04 0.95 0.50 2z5yA1 ASP 248 H 0.09 0.61 0.23 -0.55 8.40 8.78 2z5yA1 ASP 248 HA 0.11 0.28 1.15 -0.75 4.63 5.41 2z5yA1 ASP 248 HB2 0.08 0.01 -0.05 -0.04 2.71 2.71 2z5yA1 ASP 248 HB3 0.07 -0.02 0.27 -0.04 2.70 2.98 2z5yA1 GLN 249 H 0.09 0.89 0.36 -0.55 8.47 9.26 2z5yA1 GLN 249 HA 0.04 0.20 0.93 -0.75 4.36 4.78 2z5yA1 GLN 249 HB2 0.01 0.04 0.18 -0.04 2.15 2.33 2z5yA1 GLN 249 HB3 0.05 -0.03 -0.02 -0.04 2.02 1.98 2z5yA1 GLN 249 HG2 0.08 0.13 0.05 -0.04 2.40 2.62 2z5yA1 GLN 249 HG3 0.03 -0.01 0.02 -0.04 2.39 2.38 2z5yA1 GLN 249 HE21 -0.03 0.33 -0.13 -0.04 6.97 7.10 2z5yA1 GLN 249 HE22 0.02 0.06 -0.12 -0.04 7.69 7.61 2z5yA1 SER 250 H 0.04 0.06 -0.27 -0.55 8.46 7.74 2z5yA1 SER 250 HA 0.02 0.05 0.36 -0.75 4.49 4.17 2z5yA1 SER 250 HB2 0.02 0.00 -0.02 -0.04 3.95 3.91 2z5yA1 SER 250 HB3 0.02 -0.02 0.02 -0.04 3.93 3.90 2z5yA1 SER 251 H 0.02 0.12 -0.27 -0.55 8.46 7.78 2z5yA1 SER 251 HA 0.00 0.15 0.73 -0.75 4.49 4.62 2z5yA1 SER 251 HB2 0.01 0.08 -0.05 -0.04 3.95 3.94 2z5yA1 SER 251 HB3 0.00 -0.05 0.07 -0.04 3.93 3.91 2z5yA1 ASP 252 H -0.00 0.07 0.10 -0.55 8.40 8.03 2z5yA1 ASP 252 HA -0.02 0.12 0.44 -0.75 4.63 4.41 2z5yA1 ASP 252 HB2 -0.00 -0.08 0.13 -0.04 2.71 2.72 2z5yA1 ASP 252 HB3 -0.01 0.05 0.04 -0.04 2.70 2.73 2z5yA1 ASN 253 H 0.00 -0.05 -0.26 -0.55 8.53 7.68 2z5yA1 ASN 253 HA 0.01 0.31 0.90 -0.75 4.76 5.23 2z5yA1 ASN 253 HB2 0.02 -0.10 0.08 -0.04 2.88 2.84 2z5yA1 ASN 253 HB3 0.04 0.06 -0.02 -0.04 2.79 2.82 2z5yA1 ASN 253 HD21 0.01 -0.01 -0.04 -0.04 7.03 6.94 2z5yA1 ASN 253 HD22 0.01 -0.02 -0.02 -0.04 7.74 7.67 2z5yA1 ILE 254 H 0.01 0.49 0.26 -0.55 8.25 8.46 2z5yA1 ILE 254 HA 0.04 0.16 0.73 -0.75 4.18 4.35 2z5yA1 ILE 254 HB 0.05 -0.07 -0.09 -0.04 1.89 1.74 2z5yA1 ILE 254 HG12 0.01 -0.04 0.01 -0.04 1.49 1.43 2z5yA1 ILE 254 HG13 -0.02 0.22 0.08 -0.04 1.21 1.45 2z5yA1 ILE 254 HG23 0.07 -0.03 -0.35 -0.04 0.93 0.58 2z5yA1 ILE 254 HD13 -0.00 -0.05 -0.29 -0.04 0.88 0.49 2z5yA1 ILE 255 H 0.07 0.56 0.39 -0.55 8.25 8.71 2z5yA1 ILE 255 HA 0.10 0.28 1.02 -0.75 4.18 4.82 2z5yA1 ILE 255 HB 0.07 -0.09 0.19 -0.04 1.89 2.02 2z5yA1 ILE 255 HG12 0.03 -0.00 -0.05 -0.04 1.49 1.43 2z5yA1 ILE 255 HG13 0.04 0.13 -0.13 -0.04 1.21 1.21 2z5yA1 ILE 255 HG23 0.12 -0.02 -0.18 -0.04 0.93 0.81 2z5yA1 ILE 255 HD13 -0.00 -0.03 -0.01 -0.04 0.88 0.80 2z5yA1 ILE 256 H 0.16 0.97 0.43 -0.55 8.25 9.26 2z5yA1 ILE 256 HA 0.10 0.27 1.12 -0.75 4.18 4.92 2z5yA1 ILE 256 HB 0.19 -0.06 0.05 -0.04 1.89 2.04 2z5yA1 ILE 256 HG12 0.11 0.07 -0.27 -0.04 1.49 1.37 2z5yA1 ILE 256 HG13 0.05 -0.05 -0.15 -0.04 1.21 1.03 2z5yA1 ILE 256 HG23 0.05 -0.01 -0.09 -0.04 0.93 0.85 2z5yA1 ILE 256 HD13 0.07 0.02 -0.29 -0.04 0.88 0.63 2z5yA1 GLU 257 H 0.12 0.61 0.35 -0.55 8.60 9.13 2z5yA1 GLU 257 HA -0.05 0.48 1.19 -0.75 4.29 5.15 2z5yA1 GLU 257 HB2 0.11 -0.01 -0.10 -0.04 2.09 2.05 2z5yA1 GLU 257 HB3 0.17 -0.11 0.08 -0.04 1.99 2.09 2z5yA1 GLU 257 HG2 -0.05 0.17 -0.08 -0.04 2.34 2.34 2z5yA1 GLU 257 HG3 -0.49 0.07 -0.10 -0.04 2.34 1.78 2z5yA1 THR 258 H -0.07 0.46 0.23 -0.55 8.28 8.35 2z5yA1 THR 258 HA 0.01 0.25 0.80 -0.75 4.39 4.70 2z5yA1 THR 258 HB -0.03 -0.05 -0.05 -0.04 4.32 4.15 2z5yA1 THR 258 HG23 0.20 0.03 -0.33 -0.04 1.22 1.08 2z5yA1 LEU 259 H -0.07 0.48 0.18 -0.55 8.37 8.41 2z5yA1 LEU 259 HA -0.10 0.08 0.30 -0.75 4.35 3.87 2z5yA1 LEU 259 HB2 -0.03 0.07 0.13 -0.04 1.64 1.77 2z5yA1 LEU 259 HB3 -0.09 -0.01 0.11 -0.04 1.64 1.61 2z5yA1 LEU 259 HG -0.08 -0.01 -0.03 -0.04 1.64 1.48 2z5yA1 LEU 259 HD13 -0.01 0.00 0.04 -0.04 0.93 0.92 2z5yA1 LEU 259 HD23 0.01 -0.01 -0.00 -0.04 0.89 0.85 2z5yA1 ASN 260 H -0.20 0.05 -0.36 -0.55 8.53 7.48 2z5yA1 ASN 260 HA -0.29 0.19 0.73 -0.75 4.76 4.64 2z5yA1 ASN 260 HB2 -0.09 0.02 0.15 -0.04 2.88 2.92 2z5yA1 ASN 260 HB3 -0.15 0.01 0.05 -0.04 2.79 2.66 2z5yA1 ASN 260 HD21 -0.25 0.03 -0.02 -0.04 7.03 6.75 2z5yA1 ASN 260 HD22 -0.15 0.01 0.02 -0.04 7.74 7.58 2z5yA1 HIS 261 H -0.42 0.57 -0.42 -0.55 8.41 7.59 2z5yA1 HIS 261 HA -0.18 0.08 0.27 -0.75 4.63 4.05 2z5yA1 HIS 261 HB2 -0.02 0.09 -0.04 -0.04 3.26 3.25 2z5yA1 HIS 261 HB3 -0.01 -0.04 0.12 -0.04 3.20 3.23 2z5yA1 HIS 261 HD2 -0.01 0.02 -0.21 -0.04 6.97 6.72 2z5yA1 HIS 261 HE1 0.02 -0.03 -0.01 -0.04 7.75 7.69 2z5yA1 GLU 262 H -0.12 -0.07 -0.35 -0.55 8.60 7.51 2z5yA1 GLU 262 HA -0.12 0.17 0.88 -0.75 4.29 4.47 2z5yA1 GLU 262 HB2 0.07 -0.11 0.01 -0.04 2.09 2.01 2z5yA1 GLU 262 HB3 -0.23 0.10 -0.04 -0.04 1.99 1.78 2z5yA1 GLU 262 HG2 0.09 0.03 0.05 -0.04 2.34 2.46 2z5yA1 GLU 262 HG3 0.02 0.08 -0.09 -0.04 2.34 2.30 2z5yA1 HIS 263 H -0.18 0.20 0.20 -0.55 8.41 8.08 2z5yA1 HIS 263 HA -0.10 0.46 1.12 -0.75 4.63 5.36 2z5yA1 HIS 263 HB2 -0.05 -0.04 0.04 -0.04 3.26 3.17 2z5yA1 HIS 263 HB3 -0.03 0.02 -0.00 -0.04 3.20 3.15 2z5yA1 HIS 263 HD2 -0.01 -0.01 0.00 -0.04 6.97 6.91 2z5yA1 HIS 263 HE1 -0.03 -0.05 -0.11 -0.04 7.75 7.51 2z5yA1 TYR 264 H 0.11 0.54 0.40 -0.55 8.29 8.79 2z5yA1 TYR 264 HA 0.13 0.28 0.83 -0.75 4.56 5.05 2z5yA1 TYR 264 HB2 0.00 -0.10 0.00 -0.04 3.06 2.93 2z5yA1 TYR 264 HB3 0.06 0.08 0.00 -0.04 2.98 3.08 2z5yA1 TYR 264 HD2 -0.06 0.05 -0.13 -0.04 7.15 6.97 2z5yA1 TYR 264 HE2 -0.35 -0.04 -0.15 -0.04 6.85 6.27 2z5yA1 GLU 265 H 0.29 0.67 0.35 -0.55 8.60 9.36 2z5yA1 GLU 265 HA 0.14 0.47 1.07 -0.75 4.29 5.22 2z5yA1 GLU 265 HB2 0.12 -0.03 0.07 -0.04 2.09 2.20 2z5yA1 GLU 265 HB3 0.09 0.00 0.02 -0.04 1.99 2.06 2z5yA1 GLU 265 HG2 0.08 0.10 -0.10 -0.04 2.34 2.38 2z5yA1 GLU 265 HG3 0.10 -0.09 -0.39 -0.04 2.34 1.92 2z5yA1 CYS 266 H 0.10 0.60 0.30 -0.55 8.50 8.96 2z5yA1 CYS 266 HA 0.16 0.48 0.73 -0.75 4.58 5.19 2z5yA1 CYS 266 HB2 0.14 0.02 -0.18 -0.04 2.97 2.91 2z5yA1 CYS 266 HB3 0.18 -0.00 -0.46 -0.04 2.97 2.64 2z5yA1 LYS 267 H 0.12 0.77 0.44 -0.55 8.42 9.19 2z5yA1 LYS 267 HA -0.07 0.18 0.90 -0.75 4.32 4.57 2z5yA1 LYS 267 HB2 0.11 0.03 0.33 -0.04 1.87 2.31 2z5yA1 LYS 267 HB3 0.02 -0.01 0.06 -0.04 1.79 1.82 2z5yA1 LYS 267 HG2 0.04 -0.03 0.06 -0.04 1.46 1.48 2z5yA1 LYS 267 HG3 -0.10 0.04 0.14 -0.04 1.46 1.50 2z5yA1 LYS 267 HD2 0.05 0.03 -0.02 -0.04 1.69 1.72 2z5yA1 LYS 267 HD3 0.04 -0.05 -0.01 -0.04 1.68 1.62 2z5yA1 LYS 267 HE2 -0.02 0.05 -0.04 -0.04 2.99 2.94 2z5yA1 LYS 267 HE3 0.01 0.04 -0.17 -0.04 2.99 2.84 2z5yA1 TYR 268 H 0.17 0.32 0.42 -0.55 8.29 8.65 2z5yA1 TYR 268 HA 0.12 0.29 0.95 -0.75 4.56 5.17 2z5yA1 TYR 268 HB2 0.03 -0.09 -0.00 -0.04 3.06 2.96 2z5yA1 TYR 268 HB3 0.12 0.03 0.03 -0.04 2.98 3.11 2z5yA1 TYR 268 HD2 0.25 0.01 -0.01 -0.04 7.15 7.36 2z5yA1 TYR 268 HE2 0.11 -0.02 -0.01 -0.04 6.85 6.89 2z5yA1 VAL 269 H 0.23 0.69 0.42 -0.55 8.24 9.03 2z5yA1 VAL 269 HA 0.07 0.27 1.00 -0.75 4.13 4.72 2z5yA1 VAL 269 HB 0.05 -0.01 0.13 -0.04 2.12 2.24 2z5yA1 VAL 269 HG13 0.01 -0.02 -0.17 -0.04 0.97 0.76 2z5yA1 VAL 269 HG23 0.07 -0.01 -0.21 -0.04 0.95 0.76 2z5yA1 ILE 270 H 0.02 0.55 0.28 -0.55 8.25 8.54 2z5yA1 ILE 270 HA 0.00 0.30 0.76 -0.75 4.18 4.49 2z5yA1 ILE 270 HB -0.02 -0.09 0.09 -0.04 1.89 1.84 2z5yA1 ILE 270 HG12 0.01 0.06 -0.15 -0.04 1.49 1.37 2z5yA1 ILE 270 HG13 0.01 -0.02 -0.30 -0.04 1.21 0.86 2z5yA1 ILE 270 HG23 0.00 -0.01 -0.34 -0.04 0.93 0.54 2z5yA1 ILE 270 HD13 -0.07 -0.00 -0.23 -0.04 0.88 0.54 2z5yA1 ASN 271 H -0.24 0.84 0.25 -0.55 8.53 8.84 2z5yA1 ASN 271 HA -0.01 0.03 0.82 -0.75 4.76 4.84 2z5yA1 ASN 271 HB2 -0.17 0.02 0.03 -0.04 2.88 2.72 2z5yA1 ASN 271 HB3 -0.42 0.08 0.18 -0.04 2.79 2.60 2z5yA1 ASN 271 HD21 0.23 0.09 -0.06 -0.04 7.03 7.24 2z5yA1 ASN 271 HD22 0.29 0.02 -0.10 -0.04 7.74 7.90 2z5yA1 ALA 272 H 0.03 0.57 0.24 -0.55 8.40 8.69 2z5yA1 ALA 272 HA 0.07 0.10 0.48 -0.75 4.34 4.24 2z5yA1 ALA 272 HB3 0.02 0.00 -0.05 -0.04 1.41 1.34 2z5yA1 ILE 273 H 0.10 0.24 -0.12 -0.55 8.25 7.92 2z5yA1 ILE 273 HA 0.07 0.07 0.90 -0.75 4.18 4.47 2z5yA1 ILE 273 HB 0.08 0.08 0.07 -0.04 1.89 2.08 2z5yA1 ILE 273 HG12 0.09 -0.08 -0.04 -0.04 1.49 1.42 2z5yA1 ILE 273 HG13 0.10 0.07 -0.27 -0.04 1.21 1.08 2z5yA1 ILE 273 HG23 0.04 0.01 -0.14 -0.04 0.93 0.80 2z5yA1 ILE 273 HD13 0.06 0.00 -0.26 -0.04 0.88 0.64 2z5yA1 PRO 274 HA 0.08 0.12 0.53 -0.51 4.44 4.66 2z5yA1 PRO 274 HB2 0.03 0.03 0.06 -0.04 2.28 2.36 2z5yA1 PRO 274 HB3 0.07 -0.03 0.17 -0.04 2.02 2.19 2z5yA1 PRO 274 HG2 0.07 0.09 0.13 -0.04 2.03 2.27 2z5yA1 PRO 274 HG3 0.08 0.10 0.19 -0.04 2.03 2.36 2z5yA1 PRO 274 HD2 0.08 0.13 0.28 -0.04 3.68 4.14 2z5yA1 PRO 274 HD3 0.08 0.02 0.24 -0.04 3.65 3.95 2z5yA1 PRO 275 HA 0.01 0.08 0.35 -0.51 4.44 4.37 2z5yA1 PRO 275 HB2 -0.12 0.20 0.09 -0.04 2.28 2.41 2z5yA1 PRO 275 HB3 -0.11 0.02 0.11 -0.04 2.02 2.01 2z5yA1 PRO 275 HG2 -0.09 0.07 0.09 -0.04 2.03 2.05 2z5yA1 PRO 275 HG3 -0.02 0.10 0.08 -0.04 2.03 2.15 2z5yA1 PRO 275 HD2 0.01 0.08 0.22 -0.04 3.68 3.95 2z5yA1 PRO 275 HD3 0.06 0.09 0.26 -0.04 3.65 4.01 2z5yA1 THR 276 H -0.04 0.09 -0.18 -0.55 8.28 7.61 2z5yA1 THR 276 HA -0.07 0.24 0.55 -0.75 4.39 4.36 2z5yA1 THR 276 HB -0.08 0.13 0.12 -0.04 4.32 4.44 2z5yA1 THR 276 HG23 -0.02 -0.03 -0.10 -0.04 1.22 1.04 2z5yA1 LEU 277 H 0.02 0.30 -0.18 -0.55 8.37 7.96 2z5yA1 LEU 277 HA -0.00 0.14 0.61 -0.75 4.35 4.34 2z5yA1 LEU 277 HB2 0.06 0.04 -0.00 -0.04 1.64 1.71 2z5yA1 LEU 277 HB3 0.07 -0.03 0.02 -0.04 1.64 1.65 2z5yA1 LEU 277 HG 0.04 -0.05 -0.11 -0.04 1.64 1.47 2z5yA1 LEU 277 HD13 0.12 -0.07 -0.21 -0.04 0.93 0.72 2z5yA1 LEU 277 HD23 -0.00 0.01 -0.19 -0.04 0.89 0.68 2z5yA1 THR 278 H 0.05 0.31 -0.17 -0.55 8.28 7.92 2z5yA1 THR 278 HA 0.15 -0.01 0.40 -0.75 4.39 4.18 2z5yA1 THR 278 HB 0.09 0.14 0.05 -0.04 4.32 4.55 2z5yA1 THR 278 HG23 0.35 -0.01 -0.05 -0.04 1.22 1.47 2z5yA1 ALA 279 H 0.01 0.49 -0.39 -0.55 8.40 7.97 2z5yA1 ALA 279 HA 0.01 -0.01 0.33 -0.75 4.34 3.91 2z5yA1 ALA 279 HB3 -0.05 0.09 -0.00 -0.04 1.41 1.40 2z5yA1 LYS 280 H -0.03 0.31 -0.79 -0.55 8.42 7.36 2z5yA1 LYS 280 HA -0.14 0.10 0.54 -0.75 4.32 4.07 2z5yA1 LYS 280 HB2 -0.07 0.10 0.05 -0.04 1.87 1.92 2z5yA1 LYS 280 HB3 -0.12 -0.09 0.06 -0.04 1.79 1.60 2z5yA1 LYS 280 HG2 -0.07 -0.04 -0.05 -0.04 1.46 1.26 2z5yA1 LYS 280 HG3 -0.05 0.17 0.02 -0.04 1.46 1.57 2z5yA1 LYS 280 HD2 -0.04 -0.03 0.04 -0.04 1.69 1.61 2z5yA1 LYS 280 HD3 -0.06 -0.06 0.01 -0.04 1.68 1.52 2z5yA1 LYS 280 HE2 -0.06 -0.02 -0.01 -0.04 2.99 2.86 2z5yA1 LYS 280 HE3 -0.05 0.06 -0.04 -0.04 2.99 2.91 2z5yA1 ILE 281 H -0.10 0.30 -0.17 -0.55 8.25 7.74 2z5yA1 ILE 281 HA -0.36 0.09 0.48 -0.75 4.18 3.63 2z5yA1 ILE 281 HB -0.36 0.09 0.02 -0.04 1.89 1.60 2z5yA1 ILE 281 HG12 -0.16 0.12 -0.13 -0.04 1.49 1.27 2z5yA1 ILE 281 HG13 -0.07 0.13 0.04 -0.04 1.21 1.27 2z5yA1 ILE 281 HG23 -0.85 -0.05 -0.47 -0.04 0.93 -0.49 2z5yA1 ILE 281 HD13 -0.07 -0.06 -0.13 -0.04 0.88 0.58 2z5yA1 HIS 282 H -0.49 0.78 0.35 -0.55 8.41 8.51 2z5yA1 HIS 282 HA -0.09 0.08 0.77 -0.75 4.63 4.64 2z5yA1 HIS 282 HB2 -0.50 -0.04 0.30 -0.04 3.26 2.98 2z5yA1 HIS 282 HB3 -0.03 -0.06 0.05 -0.04 3.20 3.13 2z5yA1 HIS 282 HD2 -0.79 0.01 0.07 -0.04 6.97 6.22 2z5yA1 HIS 282 HE1 -0.03 -0.05 0.01 -0.04 7.75 7.63 2z5yA1 PHE 283 H 0.17 0.22 0.10 -0.55 8.34 8.28 2z5yA1 PHE 283 HA 0.06 0.21 0.90 -0.75 4.62 5.03 2z5yA1 PHE 283 HB2 0.03 -0.10 0.09 -0.04 3.15 3.14 2z5yA1 PHE 283 HB3 0.04 0.17 -0.13 -0.04 3.06 3.11 2z5yA1 PHE 283 HD2 0.03 0.09 -0.04 -0.04 7.28 7.31 2z5yA1 PHE 283 HE2 0.03 0.06 -0.07 -0.04 7.38 7.36 2z5yA1 PHE 283 HZ 0.06 -0.06 -0.08 -0.04 7.32 7.19 2z5yA1 ARG 284 H 0.24 0.67 0.33 -0.55 8.46 9.14 2z5yA1 ARG 284 HA 0.12 -0.09 0.56 -0.75 4.34 4.17 2z5yA1 ARG 284 HB2 0.12 0.05 -0.25 -0.04 1.90 1.77 2z5yA1 ARG 284 HB3 0.09 -0.13 0.10 -0.04 1.80 1.83 2z5yA1 ARG 284 HG2 0.06 -0.02 0.02 -0.04 1.67 1.69 2z5yA1 ARG 284 HG3 0.08 0.04 0.00 -0.04 1.67 1.75 2z5yA1 ARG 284 HD2 0.06 0.02 -0.07 -0.04 3.22 3.19 2z5yA1 ARG 284 HD3 0.06 -0.03 -0.05 -0.04 3.22 3.15 2z5yA1 PRO 285 HA 0.06 0.01 0.37 -0.51 4.44 4.38 2z5yA1 PRO 285 HB2 0.03 0.18 -0.07 -0.04 2.28 2.37 2z5yA1 PRO 285 HB3 0.03 -0.02 0.10 -0.04 2.02 2.09 2z5yA1 PRO 285 HG2 0.02 0.06 0.01 -0.04 2.03 2.09 2z5yA1 PRO 285 HG3 0.02 0.03 0.04 -0.04 2.03 2.08 2z5yA1 PRO 285 HD2 0.05 0.14 0.40 -0.04 3.68 4.22 2z5yA1 PRO 285 HD3 0.04 0.02 -0.11 -0.04 3.65 3.56 2z5yA1 GLU 286 H 0.06 0.02 0.10 -0.55 8.60 8.23 2z5yA1 GLU 286 HA 0.12 0.13 0.42 -0.75 4.29 4.21 2z5yA1 GLU 286 HB2 0.03 -0.10 0.09 -0.04 2.09 2.07 2z5yA1 GLU 286 HB3 0.03 0.13 0.01 -0.04 1.99 2.11 2z5yA1 GLU 286 HG2 0.08 0.05 0.11 -0.04 2.34 2.54 2z5yA1 GLU 286 HG3 0.07 0.01 0.14 -0.04 2.34 2.52 2z5yA1 LEU 287 H 0.02 0.08 0.09 -0.55 8.37 8.01 2z5yA1 LEU 287 HA -0.10 0.12 0.46 -0.75 4.35 4.08 2z5yA1 LEU 287 HB2 -0.12 -0.06 -0.06 -0.04 1.64 1.36 2z5yA1 LEU 287 HB3 -0.18 0.03 0.04 -0.04 1.64 1.49 2z5yA1 LEU 287 HG -0.28 -0.04 0.03 -0.04 1.64 1.31 2z5yA1 LEU 287 HD13 -0.32 0.01 -0.11 -0.04 0.93 0.47 2z5yA1 LEU 287 HD23 -0.85 0.02 -0.06 -0.04 0.89 -0.05 2z5yA1 PRO 288 HA -0.04 0.06 0.41 -0.51 4.44 4.37 2z5yA1 PRO 288 HB2 -0.08 -0.16 0.08 -0.04 2.28 2.09 2z5yA1 PRO 288 HB3 -0.05 0.04 0.12 -0.04 2.02 2.09 2z5yA1 PRO 288 HG2 -0.07 0.11 0.10 -0.04 2.03 2.12 2z5yA1 PRO 288 HG3 -0.05 0.08 0.10 -0.04 2.03 2.12 2z5yA1 PRO 288 HD2 -0.12 0.10 0.18 -0.04 3.68 3.80 2z5yA1 PRO 288 HD3 -0.08 0.20 0.20 -0.04 3.65 3.93 2z5yA1 ALA 289 H -0.04 0.16 0.16 -0.55 8.40 8.14 2z5yA1 ALA 289 HA -0.06 0.11 0.38 -0.75 4.34 4.02 2z5yA1 ALA 289 HB3 -0.03 0.01 0.08 -0.04 1.41 1.43 2z5yA1 GLU 290 H -0.04 0.07 -0.22 -0.55 8.60 7.87 2z5yA1 GLU 290 HA 0.03 0.07 0.40 -0.75 4.29 4.04 2z5yA1 GLU 290 HB2 -0.00 -0.01 0.09 -0.04 2.09 2.12 2z5yA1 GLU 290 HB3 -0.05 -0.04 0.04 -0.04 1.99 1.90 2z5yA1 GLU 290 HG2 -0.01 0.06 -0.18 -0.04 2.34 2.16 2z5yA1 GLU 290 HG3 0.12 0.06 0.08 -0.04 2.34 2.56 2z5yA1 ARG 291 H -0.11 0.17 -0.22 -0.55 8.46 7.75 2z5yA1 ARG 291 HA -0.17 0.04 0.38 -0.75 4.34 3.83 2z5yA1 ARG 291 HB2 -0.18 -0.03 0.06 -0.04 1.90 1.72 2z5yA1 ARG 291 HB3 -0.17 0.08 -0.00 -0.04 1.80 1.67 2z5yA1 ARG 291 HG2 -0.35 0.06 -0.05 -0.04 1.67 1.28 2z5yA1 ARG 291 HG3 -0.28 -0.03 -0.20 -0.04 1.67 1.13 2z5yA1 ARG 291 HD2 -0.25 -0.15 0.02 -0.04 3.22 2.78 2z5yA1 ARG 291 HD3 -0.26 -0.01 -0.05 -0.04 3.22 2.85 2z5yA1 ASN 292 H -0.13 0.47 -0.20 -0.55 8.53 8.12 2z5yA1 ASN 292 HA -0.11 0.05 0.42 -0.75 4.76 4.37 2z5yA1 ASN 292 HB2 -0.07 0.04 -0.03 -0.04 2.88 2.78 2z5yA1 ASN 292 HB3 -0.10 0.03 0.02 -0.04 2.79 2.70 2z5yA1 ASN 292 HD21 -0.02 0.08 0.04 -0.04 7.03 7.09 2z5yA1 ASN 292 HD22 -0.03 -0.01 0.06 -0.04 7.74 7.71 2z5yA1 GLN 293 H -0.27 0.53 -0.30 -0.55 8.47 7.88 2z5yA1 GLN 293 HA -0.32 0.03 0.35 -0.75 4.36 3.66 2z5yA1 GLN 293 HB2 -0.97 0.22 0.13 -0.04 2.15 1.49 2z5yA1 GLN 293 HB3 -1.47 -0.07 -0.08 -0.04 2.02 0.36 2z5yA1 GLN 293 HG2 -0.26 0.14 -0.02 -0.04 2.40 2.22 2z5yA1 GLN 293 HG3 -0.35 -0.07 -0.05 -0.04 2.39 1.88 2z5yA1 GLN 293 HE21 -0.10 -0.01 -0.06 -0.04 6.97 6.76 2z5yA1 GLN 293 HE22 -0.12 -0.01 -0.07 -0.04 7.69 7.45 2z5yA1 LEU 294 H -0.32 0.36 -0.16 -0.55 8.37 7.70 2z5yA1 LEU 294 HA -0.20 -0.00 0.31 -0.75 4.35 3.71 2z5yA1 LEU 294 HB2 -0.05 0.02 -0.01 -0.04 1.64 1.55 2z5yA1 LEU 294 HB3 -0.17 0.09 0.10 -0.04 1.64 1.63 2z5yA1 LEU 294 HG -0.17 0.01 -0.32 -0.04 1.64 1.11 2z5yA1 LEU 294 HD13 -0.03 -0.04 -0.23 -0.04 0.93 0.59 2z5yA1 LEU 294 HD23 -0.08 0.03 -0.18 -0.04 0.89 0.63 2z5yA1 ILE 295 H -0.19 0.58 -0.10 -0.55 8.25 7.99 2z5yA1 ILE 295 HA -0.16 -0.03 0.22 -0.75 4.18 3.45 2z5yA1 ILE 295 HB -0.06 0.12 0.10 -0.04 1.89 2.01 2z5yA1 ILE 295 HG12 -0.13 0.17 0.13 -0.04 1.49 1.62 2z5yA1 ILE 295 HG13 -0.08 0.03 -0.09 -0.04 1.21 1.03 2z5yA1 ILE 295 HG23 -0.15 -0.00 0.01 -0.04 0.93 0.74 2z5yA1 ILE 295 HD13 -0.03 -0.03 -0.20 -0.04 0.88 0.57 2z5yA1 GLN 296 H -0.16 0.35 -0.38 -0.55 8.47 7.73 2z5yA1 GLN 296 HA -0.11 0.07 0.58 -0.75 4.36 4.14 2z5yA1 GLN 296 HB2 -0.14 0.08 -0.01 -0.04 2.15 2.04 2z5yA1 GLN 296 HB3 -0.10 -0.09 0.10 -0.04 2.02 1.88 2z5yA1 GLN 296 HG2 -0.08 -0.02 0.05 -0.04 2.40 2.32 2z5yA1 GLN 296 HG3 -0.10 0.21 0.10 -0.04 2.39 2.56 2z5yA1 GLN 296 HE21 -0.06 -0.08 -0.01 -0.04 6.97 6.77 2z5yA1 GLN 296 HE22 -0.07 -0.02 0.02 -0.04 7.69 7.58 2z5yA1 ARG 297 H -0.21 0.47 -0.41 -0.55 8.46 7.76 2z5yA1 ARG 297 HA -0.16 0.16 1.00 -0.75 4.34 4.59 2z5yA1 ARG 297 HB2 -0.17 0.17 0.17 -0.04 1.90 2.02 2z5yA1 ARG 297 HB3 -0.12 -0.13 0.23 -0.04 1.80 1.73 2z5yA1 ARG 297 HG2 -0.07 -0.08 0.05 -0.04 1.67 1.52 2z5yA1 ARG 297 HG3 -0.14 0.01 -0.20 -0.04 1.67 1.30 2z5yA1 ARG 297 HD2 -0.27 0.12 -0.08 -0.04 3.22 2.95 2z5yA1 ARG 297 HD3 0.06 -0.11 -0.01 -0.04 3.22 3.12 2z5yA1 LEU 298 H -0.25 0.22 -0.31 -0.55 8.37 7.48 2z5yA1 LEU 298 HA -0.52 0.33 1.13 -0.75 4.35 4.53 2z5yA1 LEU 298 HB2 -0.31 -0.06 0.14 -0.04 1.64 1.37 2z5yA1 LEU 298 HB3 -0.47 -0.07 0.05 -0.04 1.64 1.11 2z5yA1 LEU 298 HG -0.49 0.18 -0.19 -0.04 1.64 1.10 2z5yA1 LEU 298 HD13 -0.43 -0.04 -0.09 -0.04 0.93 0.32 2z5yA1 LEU 298 HD23 -1.48 0.01 -0.04 -0.04 0.89 -0.66 2z5yA1 PRO 299 HA -0.24 0.06 0.50 -0.51 4.44 4.24 2z5yA1 PRO 299 HB2 -0.49 0.03 -0.08 -0.04 2.28 1.69 2z5yA1 PRO 299 HB3 -0.19 0.01 0.08 -0.04 2.02 1.88 2z5yA1 PRO 299 HG2 -0.45 -0.03 0.03 -0.04 2.03 1.54 2z5yA1 PRO 299 HG3 -0.26 0.05 -0.02 -0.04 2.03 1.76 2z5yA1 PRO 299 HD2 -1.10 0.09 0.20 -0.04 3.68 2.83 2z5yA1 PRO 299 HD3 -0.45 0.44 0.05 -0.04 3.65 3.65 2z5yA1 MET 300 H -0.10 0.13 0.16 -0.55 8.47 8.11 2z5yA1 MET 300 HA -0.02 0.07 0.49 -0.75 4.52 4.30 2z5yA1 MET 300 HB2 0.01 0.16 -0.12 -0.04 2.15 2.17 2z5yA1 MET 300 HB3 0.04 -0.04 -0.41 -0.04 2.03 1.57 2z5yA1 MET 300 HG2 -0.04 -0.03 0.02 -0.04 2.63 2.54 2z5yA1 MET 300 HG3 0.02 0.04 -0.05 -0.04 2.56 2.54 2z5yA1 MET 300 HE3 0.06 0.00 -0.20 -0.04 2.10 1.92 2z5yA1 GLY 301 H 0.12 0.50 0.06 -0.55 8.43 8.57 2z5yA1 GLY 301 HA2 0.13 0.02 0.51 -0.51 4.01 4.15 2z5yA1 GLY 301 HA3 0.01 0.05 0.26 -0.51 4.01 3.81 2z5yA1 ALA 302 H -0.07 0.59 0.45 -0.55 8.40 8.82 2z5yA1 ALA 302 HA 0.03 0.06 1.09 -0.75 4.34 4.77 2z5yA1 ALA 302 HB3 0.02 -0.00 0.04 -0.04 1.41 1.42 2z5yA1 VAL 303 H 0.09 0.14 0.25 -0.55 8.24 8.17 2z5yA1 VAL 303 HA 0.03 0.40 0.90 -0.75 4.13 4.70 2z5yA1 VAL 303 HB -0.26 0.09 -0.12 -0.04 2.12 1.79 2z5yA1 VAL 303 HG13 -0.01 -0.02 -0.11 -0.04 0.97 0.79 2z5yA1 VAL 303 HG23 -0.01 -0.01 -0.15 -0.04 0.95 0.74 2z5yA1 ILE 304 H 0.15 0.73 0.35 -0.55 8.25 8.93 2z5yA1 ILE 304 HA 0.20 0.16 0.79 -0.75 4.18 4.58 2z5yA1 ILE 304 HB 0.13 -0.04 0.19 -0.04 1.89 2.13 2z5yA1 ILE 304 HG12 0.07 -0.06 0.06 -0.04 1.49 1.52 2z5yA1 ILE 304 HG13 0.09 -0.07 -0.14 -0.04 1.21 1.05 2z5yA1 ILE 304 HG23 0.09 0.00 -0.21 -0.04 0.93 0.78 2z5yA1 ILE 304 HD13 0.06 0.03 -0.06 -0.04 0.88 0.87 2z5yA1 LYS 305 H 0.35 0.55 0.27 -0.55 8.42 9.03 2z5yA1 LYS 305 HA 0.39 0.27 1.06 -0.75 4.32 5.28 2z5yA1 LYS 305 HB2 0.56 -0.05 0.06 -0.04 1.87 2.41 2z5yA1 LYS 305 HB3 0.41 0.04 0.20 -0.04 1.79 2.39 2z5yA1 LYS 305 HG2 0.15 -0.02 -0.15 -0.04 1.46 1.41 2z5yA1 LYS 305 HG3 0.15 0.02 0.01 -0.04 1.46 1.61 2z5yA1 LYS 305 HD2 0.57 -0.06 -0.18 -0.04 1.69 1.98 2z5yA1 LYS 305 HD3 0.32 -0.03 -0.30 -0.04 1.68 1.63 2z5yA1 LYS 305 HE2 0.07 0.05 -0.06 -0.04 2.99 3.01 2z5yA1 LYS 305 HE3 0.06 -0.06 -0.10 -0.04 2.99 2.85 2z5yA1 CYS 306 H 0.06 0.64 0.42 -0.55 8.50 9.08 2z5yA1 CYS 306 HA -0.12 0.22 1.00 -0.75 4.58 4.93 2z5yA1 CYS 306 HB2 0.12 -0.03 0.10 -0.04 2.97 3.12 2z5yA1 CYS 306 HB3 0.23 -0.01 -0.06 -0.04 2.97 3.10 2z5yA1 MET 307 H -0.30 0.94 0.42 -0.55 8.47 8.98 2z5yA1 MET 307 HA -0.09 0.37 1.31 -0.75 4.52 5.35 2z5yA1 MET 307 HB2 0.01 -0.05 0.05 -0.04 2.15 2.12 2z5yA1 MET 307 HB3 -0.12 0.00 -0.10 -0.04 2.03 1.77 2z5yA1 MET 307 HG2 -0.03 0.00 -0.09 -0.04 2.63 2.47 2z5yA1 MET 307 HG3 -0.15 0.05 -0.05 -0.04 2.56 2.37 2z5yA1 MET 307 HE3 0.03 0.00 -0.25 -0.04 2.10 1.85 2z5yA1 MET 308 H -0.06 0.61 0.31 -0.55 8.47 8.79 2z5yA1 MET 308 HA 0.12 0.20 0.96 -0.75 4.52 5.04 2z5yA1 MET 308 HB2 0.26 -0.01 0.05 -0.04 2.15 2.41 2z5yA1 MET 308 HB3 0.26 -0.10 0.19 -0.04 2.03 2.35 2z5yA1 MET 308 HG2 0.29 -0.03 -0.02 -0.04 2.63 2.84 2z5yA1 MET 308 HG3 -0.27 0.06 -0.02 -0.04 2.56 2.28 2z5yA1 MET 308 HE3 -0.08 -0.04 -0.03 -0.04 2.10 1.91 2z5yA1 TYR 309 H 0.16 0.73 0.37 -0.55 8.29 8.99 2z5yA1 TYR 309 HA 0.12 0.28 1.00 -0.75 4.56 5.21 2z5yA1 TYR 309 HB2 0.11 -0.13 0.04 -0.04 3.06 3.04 2z5yA1 TYR 309 HB3 0.09 0.08 -0.04 -0.04 2.98 3.08 2z5yA1 TYR 309 HD2 0.10 0.07 -0.25 -0.04 7.15 7.03 2z5yA1 TYR 309 HE2 0.04 0.02 -0.12 -0.04 6.85 6.74 2z5yA1 TYR 310 H 0.39 0.78 0.23 -0.55 8.29 9.13 2z5yA1 TYR 310 HA 0.26 0.06 0.93 -0.75 4.56 5.05 2z5yA1 TYR 310 HB2 0.37 0.03 -0.11 -0.04 3.06 3.31 2z5yA1 TYR 310 HB3 0.33 -0.10 0.13 -0.04 2.98 3.30 2z5yA1 TYR 310 HD2 0.42 0.08 -0.21 -0.04 7.15 7.41 2z5yA1 TYR 310 HE2 0.25 0.00 -0.19 -0.04 6.85 6.87 2z5yA1 LYS 311 H 0.31 0.19 0.21 -0.55 8.42 8.57 2z5yA1 LYS 311 HA 0.13 0.10 0.49 -0.75 4.32 4.29 2z5yA1 LYS 311 HB2 0.09 -0.02 0.03 -0.04 1.87 1.93 2z5yA1 LYS 311 HB3 0.07 0.01 0.10 -0.04 1.79 1.93 2z5yA1 LYS 311 HG2 0.14 -0.01 0.10 -0.04 1.46 1.65 2z5yA1 LYS 311 HG3 0.14 0.04 0.12 -0.04 1.46 1.72 2z5yA1 LYS 311 HD2 0.05 -0.01 0.03 -0.04 1.69 1.72 2z5yA1 LYS 311 HD3 0.05 -0.01 0.04 -0.04 1.68 1.72 2z5yA1 LYS 311 HE2 0.09 0.01 0.01 -0.04 2.99 3.06 2z5yA1 LYS 311 HE3 0.07 0.03 0.01 -0.04 2.99 3.05 2z5yA1 GLU 312 H 0.17 0.14 0.01 -0.55 8.60 8.38 2z5yA1 GLU 312 HA -0.05 0.25 0.85 -0.75 4.29 4.59 2z5yA1 GLU 312 HB2 0.02 -0.05 -0.01 -0.04 2.09 2.01 2z5yA1 GLU 312 HB3 -0.09 0.00 -0.14 -0.04 1.99 1.73 2z5yA1 GLU 312 HG2 -0.03 0.10 -0.05 -0.04 2.34 2.33 2z5yA1 GLU 312 HG3 0.01 -0.03 -0.27 -0.04 2.34 2.01 2z5yA1 ALA 313 H -0.31 0.27 0.06 -0.55 8.40 7.87 2z5yA1 ALA 313 HA -2.12 0.11 0.57 -0.75 4.34 2.14 2z5yA1 ALA 313 HB3 -0.67 0.04 0.17 -0.04 1.41 0.91 2z5yA1 PHE 314 H -0.76 0.48 -0.06 -0.55 8.34 7.46 2z5yA1 PHE 314 HA -0.31 0.06 0.19 -0.75 4.62 3.80 2z5yA1 PHE 314 HB2 -0.11 0.03 -0.00 -0.04 3.15 3.02 2z5yA1 PHE 314 HB3 -0.18 0.03 -0.01 -0.04 3.06 2.86 2z5yA1 PHE 314 HD2 -0.11 0.12 -0.19 -0.04 7.28 7.06 2z5yA1 PHE 314 HE2 -0.64 0.09 -0.23 -0.04 7.38 6.57 2z5yA1 PHE 314 HZ -0.14 0.03 -0.21 -0.04 7.32 6.96 2z5yA1 TRP 315 H -1.36 0.07 -0.38 -0.55 7.97 5.75 2z5yA1 TRP 315 HA -0.08 0.12 0.35 -0.75 4.62 4.25 2z5yA1 TRP 315 HB2 -0.08 0.04 -0.20 -0.04 3.23 2.95 2z5yA1 TRP 315 HB3 -0.38 0.00 -0.05 -0.04 3.23 2.76 2z5yA1 TRP 315 HD1 -0.12 0.28 -0.42 -0.04 7.22 6.92 2z5yA1 TRP 315 HE1 -0.12 0.05 0.02 -0.04 10.20 10.11 2z5yA1 TRP 315 HE3 -1.81 -0.00 -0.10 -0.04 7.59 5.64 2z5yA1 TRP 315 HZ2 -0.08 -0.05 0.02 -0.04 7.44 7.29 2z5yA1 TRP 315 HZ3 -0.56 0.05 -0.14 -0.04 7.13 6.45 2z5yA1 TRP 315 HH2 0.09 0.03 -0.41 -0.04 7.19 6.85 2z5yA1 LYS 316 H -0.73 0.24 -0.29 -0.55 8.42 7.09 2z5yA1 LYS 316 HA -0.00 0.18 0.36 -0.75 4.32 4.10 2z5yA1 LYS 316 HB2 -0.28 0.09 0.12 -0.04 1.87 1.76 2z5yA1 LYS 316 HB3 -0.11 -0.03 0.01 -0.04 1.79 1.62 2z5yA1 LYS 316 HG2 0.04 0.09 0.03 -0.04 1.46 1.58 2z5yA1 LYS 316 HG3 -0.59 -0.04 0.09 -0.04 1.46 0.87 2z5yA1 LYS 316 HD2 -0.13 -0.00 0.05 -0.04 1.69 1.57 2z5yA1 LYS 316 HD3 -0.04 -0.02 0.01 -0.04 1.68 1.59 2z5yA1 LYS 316 HE2 0.11 -0.05 0.04 -0.04 2.99 3.05 2z5yA1 LYS 316 HE3 0.23 0.00 0.05 -0.04 2.99 3.24 2z5yA1 LYS 317 H -0.18 0.19 -0.16 -0.55 8.42 7.72 2z5yA1 LYS 317 HA -0.08 0.07 0.37 -0.75 4.32 3.92 2z5yA1 LYS 317 HB2 -0.06 0.00 0.10 -0.04 1.87 1.87 2z5yA1 LYS 317 HB3 -0.09 -0.05 0.08 -0.04 1.79 1.69 2z5yA1 LYS 317 HG2 -0.03 0.24 0.11 -0.04 1.46 1.73 2z5yA1 LYS 317 HG3 -0.03 0.02 -0.11 -0.04 1.46 1.30 2z5yA1 LYS 317 HD2 -0.03 0.00 -0.01 -0.04 1.69 1.60 2z5yA1 LYS 317 HD3 -0.06 -0.04 -0.02 -0.04 1.68 1.53 2z5yA1 LYS 317 HE2 0.05 0.01 0.02 -0.04 2.99 3.03 2z5yA1 LYS 317 HE3 -0.01 0.01 -0.01 -0.04 2.99 2.93 2z5yA1 LYS 318 H -0.08 0.29 -0.32 -0.55 8.42 7.76 2z5yA1 LYS 318 HA -0.16 0.10 0.74 -0.75 4.32 4.25 2z5yA1 LYS 318 HB2 -0.26 0.05 0.08 -0.04 1.87 1.70 2z5yA1 LYS 318 HB3 -0.37 0.02 0.17 -0.04 1.79 1.57 2z5yA1 LYS 318 HG2 -0.01 -0.10 -0.05 -0.04 1.46 1.26 2z5yA1 LYS 318 HG3 0.11 -0.02 -0.02 -0.04 1.46 1.49 2z5yA1 LYS 318 HD2 0.15 0.34 0.01 -0.04 1.69 2.15 2z5yA1 LYS 318 HD3 0.01 -0.04 0.07 -0.04 1.68 1.67 2z5yA1 LYS 318 HE2 0.03 -0.11 0.00 -0.04 2.99 2.87 2z5yA1 LYS 318 HE3 0.08 -0.14 0.01 -0.04 2.99 2.91 2z5yA1 ASP 319 H -0.14 0.47 -0.58 -0.55 8.40 7.60 2z5yA1 ASP 319 HA -0.07 0.06 0.34 -0.75 4.63 4.22 2z5yA1 ASP 319 HB2 -0.09 -0.00 -0.08 -0.04 2.71 2.49 2z5yA1 ASP 319 HB3 -0.13 0.10 0.24 -0.04 2.70 2.87 2z5yA1 TYR 320 H -0.08 0.71 -0.08 -0.55 8.29 8.29 2z5yA1 TYR 320 HA 0.01 0.28 1.01 -0.75 4.56 5.11 2z5yA1 TYR 320 HB2 0.11 -0.07 -0.02 -0.04 3.06 3.05 2z5yA1 TYR 320 HB3 0.01 -0.12 -0.02 -0.04 2.98 2.80 2z5yA1 TYR 320 HD2 0.05 -0.01 -0.02 -0.04 7.15 7.13 2z5yA1 TYR 320 HE2 0.06 0.06 -0.02 -0.04 6.85 6.91 2z5yA1 CYS 321 H 0.09 0.68 -0.11 -0.55 8.50 8.61 2z5yA1 CYS 321 HA 0.15 0.03 0.35 -0.75 4.58 4.36 2z5yA1 CYS 321 HB2 0.00 0.09 -0.18 -0.04 2.97 2.84 2z5yA1 CYS 321 HB3 0.01 -0.04 -0.33 -0.04 2.97 2.57 2z5yA1 GLY 322 H -0.04 0.20 -0.23 -0.55 8.43 7.81 2z5yA1 GLY 322 HA2 -0.51 0.02 0.08 -0.51 4.01 3.09 2z5yA1 GLY 322 HA3 -0.74 0.13 0.64 -0.51 4.01 3.52 2z5yA1 CYS 323 H -0.17 0.05 -0.12 -0.55 8.50 7.71 2z5yA1 CYS 323 HA -0.21 0.40 0.76 -0.75 4.58 4.77 2z5yA1 CYS 323 HB2 -0.17 0.03 0.13 -0.04 2.97 2.92 2z5yA1 CYS 323 HB3 -0.17 -0.09 0.18 -0.04 2.97 2.85 2z5yA1 MET 324 H -0.14 0.31 0.15 -0.55 8.47 8.24 2z5yA1 MET 324 HA -0.02 0.29 0.84 -0.75 4.52 4.87 2z5yA1 MET 324 HB2 -0.09 -0.04 -0.05 -0.04 2.15 1.92 2z5yA1 MET 324 HB3 -0.02 0.01 -0.19 -0.04 2.03 1.79 2z5yA1 MET 324 HG2 -0.18 0.06 -0.27 -0.04 2.63 2.19 2z5yA1 MET 324 HG3 -0.26 -0.07 -0.65 -0.04 2.56 1.54 2z5yA1 MET 324 HE3 -0.76 -0.01 -0.15 -0.04 2.10 1.14 2z5yA1 ILE 325 H 0.19 0.64 0.26 -0.55 8.25 8.79 2z5yA1 ILE 325 HA 0.16 0.18 0.93 -0.75 4.18 4.69 2z5yA1 ILE 325 HB 0.37 -0.08 0.28 -0.04 1.89 2.42 2z5yA1 ILE 325 HG12 0.19 0.04 -0.01 -0.04 1.49 1.66 2z5yA1 ILE 325 HG13 0.31 0.03 -0.04 -0.04 1.21 1.47 2z5yA1 ILE 325 HG23 0.34 -0.01 -0.04 -0.04 0.93 1.19 2z5yA1 ILE 325 HD13 0.54 0.00 -0.02 -0.04 0.88 1.36 2z5yA1 ILE 326 H 0.14 0.58 -0.03 -0.55 8.25 8.39 2z5yA1 ILE 326 HA 0.28 0.03 0.71 -0.75 4.18 4.45 2z5yA1 ILE 326 HB 0.14 0.15 -0.01 -0.04 1.89 2.12 2z5yA1 ILE 326 HG12 0.03 -0.02 -0.18 -0.04 1.49 1.28 2z5yA1 ILE 326 HG13 0.11 -0.12 -0.44 -0.04 1.21 0.72 2z5yA1 ILE 326 HG23 0.20 -0.04 -0.12 -0.04 0.93 0.94 2z5yA1 ILE 326 HD13 0.09 -0.00 -0.32 -0.04 0.88 0.61 2z5yA1 GLU 327 H 0.23 0.59 0.29 -0.55 8.60 9.17 2z5yA1 GLU 327 HA 0.12 0.06 0.67 -0.75 4.29 4.39 2z5yA1 GLU 327 HB2 0.19 0.04 0.02 -0.04 2.09 2.31 2z5yA1 GLU 327 HB3 0.15 0.02 0.31 -0.04 1.99 2.43 2z5yA1 GLU 327 HG2 0.10 -0.09 -0.02 -0.04 2.34 2.29 2z5yA1 GLU 327 HG3 0.10 0.05 -0.03 -0.04 2.34 2.42 2z5yA1 ASP 328 H 0.12 0.38 0.02 -0.55 8.40 8.38 2z5yA1 ASP 328 HA 0.09 -0.04 0.67 -0.75 4.63 4.60 2z5yA1 ASP 328 HB2 0.30 0.13 -0.48 -0.04 2.71 2.63 2z5yA1 ASP 328 HB3 0.23 0.05 -0.05 -0.04 2.70 2.89 2z5yA1 GLU 329 H 0.07 0.13 0.15 -0.55 8.60 8.40 2z5yA1 GLU 329 HA 0.06 0.20 0.38 -0.75 4.29 4.18 2z5yA1 GLU 329 HB2 0.04 -0.00 0.07 -0.04 2.09 2.16 2z5yA1 GLU 329 HB3 0.04 0.05 0.09 -0.04 1.99 2.13 2z5yA1 GLU 329 HG2 0.07 -0.11 0.01 -0.04 2.34 2.27 2z5yA1 GLU 329 HG3 0.05 0.02 0.04 -0.04 2.34 2.40 2z5yA1 ASP 330 H 0.07 -0.03 -0.14 -0.55 8.40 7.75 2z5yA1 ASP 330 HA 0.04 0.15 0.60 -0.75 4.63 4.67 2z5yA1 ASP 330 HB2 0.07 -0.08 0.01 -0.04 2.71 2.67 2z5yA1 ASP 330 HB3 0.05 0.05 -0.05 -0.04 2.70 2.70 2z5yA1 ALA 331 H 0.09 0.05 -0.51 -0.55 8.40 7.48 2z5yA1 ALA 331 HA 0.05 0.06 0.28 -0.75 4.34 3.97 2z5yA1 ALA 331 HB3 0.11 0.04 0.02 -0.04 1.41 1.53 2z5yA1 PRO 332 HA 0.02 0.05 0.45 -0.51 4.44 4.45 2z5yA1 PRO 332 HB2 -0.02 -0.01 -0.05 -0.04 2.28 2.16 2z5yA1 PRO 332 HB3 -0.02 0.01 0.03 -0.04 2.02 2.00 2z5yA1 PRO 332 HG2 -0.07 -0.01 0.01 -0.04 2.03 1.92 2z5yA1 PRO 332 HG3 -0.05 0.00 -0.18 -0.04 2.03 1.76 2z5yA1 PRO 332 HD2 -0.00 0.00 0.20 -0.04 3.68 3.84 2z5yA1 PRO 332 HD3 -0.00 0.21 0.17 -0.04 3.65 3.98 2z5yA1 ILE 333 H 0.04 0.04 -0.22 -0.55 8.25 7.57 2z5yA1 ILE 333 HA 0.10 0.16 0.37 -0.75 4.18 4.05 2z5yA1 ILE 333 HB 0.12 -0.04 -0.04 -0.04 1.89 1.89 2z5yA1 ILE 333 HG12 0.00 -0.10 -0.18 -0.04 1.49 1.17 2z5yA1 ILE 333 HG13 0.04 0.01 -0.09 -0.04 1.21 1.13 2z5yA1 ILE 333 HG23 0.15 0.00 -0.08 -0.04 0.93 0.96 2z5yA1 ILE 333 HD13 0.11 -0.01 -0.31 -0.04 0.88 0.62 2z5yA1 SER 334 H 0.14 0.66 0.47 -0.55 8.46 9.19 2z5yA1 SER 334 HA 0.12 0.32 1.03 -0.75 4.49 5.21 2z5yA1 SER 334 HB2 0.14 0.00 -0.01 -0.04 3.95 4.05 2z5yA1 SER 334 HB3 0.10 -0.03 0.11 -0.04 3.93 4.07 2z5yA1 ILE 335 H 0.14 0.22 0.37 -0.55 8.25 8.44 2z5yA1 ILE 335 HA 0.07 0.35 0.88 -0.75 4.18 4.72 2z5yA1 ILE 335 HB 0.13 0.03 -0.11 -0.04 1.89 1.90 2z5yA1 ILE 335 HG12 -0.03 0.01 0.01 -0.04 1.49 1.44 2z5yA1 ILE 335 HG13 -0.00 0.08 0.31 -0.04 1.21 1.55 2z5yA1 ILE 335 HG23 0.25 -0.01 -0.05 -0.04 0.93 1.08 2z5yA1 ILE 335 HD13 0.00 -0.01 0.04 -0.04 0.88 0.87 2z5yA1 THR 336 H -0.07 0.41 0.40 -0.55 8.28 8.48 2z5yA1 THR 336 HA -0.18 0.25 1.04 -0.75 4.39 4.75 2z5yA1 THR 336 HB -0.30 0.13 0.12 -0.04 4.32 4.23 2z5yA1 THR 336 HG23 -0.08 -0.04 -0.18 -0.04 1.22 0.87 2z5yA1 LEU 337 H -0.24 0.55 0.38 -0.55 8.37 8.52 2z5yA1 LEU 337 HA -0.23 0.05 0.56 -0.75 4.35 3.98 2z5yA1 LEU 337 HB2 -0.15 -0.06 0.03 -0.04 1.64 1.42 2z5yA1 LEU 337 HB3 -0.15 0.12 0.07 -0.04 1.64 1.64 2z5yA1 LEU 337 HG -0.27 -0.04 -0.31 -0.04 1.64 0.98 2z5yA1 LEU 337 HD13 -0.68 0.00 -0.04 -0.04 0.93 0.17 2z5yA1 LEU 337 HD23 -0.23 0.00 0.08 -0.04 0.89 0.70 2z5yA1 ASP 338 H -0.20 0.15 -0.02 -0.55 8.40 7.78 2z5yA1 ASP 338 HA -0.35 0.12 0.86 -0.75 4.63 4.51 2z5yA1 ASP 338 HB2 -0.08 0.34 0.33 -0.04 2.71 3.26 2z5yA1 ASP 338 HB3 -0.01 -0.04 0.24 -0.04 2.70 2.85 2z5yA1 ASP 339 H -0.08 0.83 0.28 -0.55 8.40 8.88 2z5yA1 ASP 339 HA 0.06 0.19 0.74 -0.75 4.63 4.85 2z5yA1 ASP 339 HB2 -0.08 -0.06 -0.19 -0.04 2.71 2.34 2z5yA1 ASP 339 HB3 -0.12 -0.03 -0.09 -0.04 2.70 2.42 2z5yA1 THR 340 H 0.13 0.03 -0.02 -0.55 8.28 7.86 2z5yA1 THR 340 HA 0.12 0.28 0.43 -0.75 4.39 4.46 2z5yA1 THR 340 HB 0.15 -0.02 0.08 -0.04 4.32 4.49 2z5yA1 THR 340 HG23 0.06 0.06 -0.21 -0.04 1.22 1.09 2z5yA1 LYS 341 H 0.02 0.61 0.16 -0.55 8.42 8.66 2z5yA1 LYS 341 HA -0.09 0.11 0.43 -0.75 4.32 4.01 2z5yA1 LYS 341 HB2 -0.04 -0.08 0.07 -0.04 1.87 1.77 2z5yA1 LYS 341 HB3 -0.10 -0.09 0.09 -0.04 1.79 1.65 2z5yA1 LYS 341 HG2 -0.06 0.20 0.09 -0.04 1.46 1.65 2z5yA1 LYS 341 HG3 -0.11 -0.08 -0.03 -0.04 1.46 1.20 2z5yA1 LYS 341 HD2 -0.46 -0.13 0.07 -0.04 1.69 1.13 2z5yA1 LYS 341 HD3 -0.28 0.01 0.04 -0.04 1.68 1.41 2z5yA1 LYS 341 HE2 -0.46 -0.01 0.19 -0.04 2.99 2.67 2z5yA1 LYS 341 HE3 -1.36 -0.06 0.15 -0.04 2.99 1.68 2z5yA1 PRO 342 HA -0.19 0.15 0.26 -0.51 4.44 4.14 2z5yA1 PRO 342 HB2 -0.22 0.02 -0.03 -0.04 2.28 2.01 2z5yA1 PRO 342 HB3 -0.36 0.03 0.08 -0.04 2.02 1.73 2z5yA1 PRO 342 HG2 -0.50 0.00 0.03 -0.04 2.03 1.52 2z5yA1 PRO 342 HG3 -2.52 0.06 0.01 -0.04 2.03 -0.46 2z5yA1 PRO 342 HD2 -0.20 0.05 0.16 -0.04 3.68 3.66 2z5yA1 PRO 342 HD3 -0.48 0.16 0.18 -0.04 3.65 3.46 2z5yA1 ASP 343 H -0.08 0.02 -0.43 -0.55 8.40 7.36 2z5yA1 ASP 343 HA -0.03 0.24 0.80 -0.75 4.63 4.89 2z5yA1 ASP 343 HB2 -0.02 0.04 0.15 -0.04 2.71 2.84 2z5yA1 ASP 343 HB3 -0.03 0.01 0.02 -0.04 2.70 2.66 2z5yA1 GLY 344 H -0.02 0.74 -0.29 -0.55 8.43 8.31 2z5yA1 GLY 344 HA2 0.00 0.00 0.26 -0.51 4.01 3.77 2z5yA1 GLY 344 HA3 -0.01 0.11 0.62 -0.51 4.01 4.22 2z5yA1 SER 345 H -0.01 -0.07 -0.43 -0.55 8.46 7.41 2z5yA1 SER 345 HA 0.02 0.20 0.74 -0.75 4.49 4.69 2z5yA1 SER 345 HB2 0.01 -0.00 0.10 -0.04 3.95 4.01 2z5yA1 SER 345 HB3 -0.00 0.04 0.01 -0.04 3.93 3.94 2z5yA1 LEU 346 H 0.05 0.11 0.14 -0.55 8.37 8.12 2z5yA1 LEU 346 HA 0.14 0.11 0.38 -0.75 4.35 4.22 2z5yA1 LEU 346 HB2 0.12 0.03 0.11 -0.04 1.64 1.86 2z5yA1 LEU 346 HB3 0.22 0.08 0.08 -0.04 1.64 1.98 2z5yA1 LEU 346 HG 0.01 -0.20 -0.16 -0.04 1.64 1.26 2z5yA1 LEU 346 HD13 -0.06 -0.01 -0.22 -0.04 0.93 0.60 2z5yA1 LEU 346 HD23 -0.01 0.04 -0.04 -0.04 0.89 0.84 2z5yA1 PRO 347 HA 0.23 -0.02 0.38 -0.51 4.44 4.52 2z5yA1 PRO 347 HB2 0.25 -0.02 -0.35 -0.04 2.28 2.11 2z5yA1 PRO 347 HB3 -0.03 -0.09 -0.14 -0.04 2.02 1.72 2z5yA1 PRO 347 HG2 0.04 -0.05 -0.60 -0.04 2.03 1.38 2z5yA1 PRO 347 HG3 -0.00 0.09 -0.05 -0.04 2.03 2.03 2z5yA1 PRO 347 HD2 0.15 0.32 0.15 -0.04 3.68 4.26 2z5yA1 PRO 347 HD3 0.08 0.04 0.02 -0.04 3.65 3.75 2z5yA1 ALA 348 H 0.36 0.14 0.17 -0.55 8.40 8.51 2z5yA1 ALA 348 HA 0.03 0.32 0.89 -0.75 4.34 4.83 2z5yA1 ALA 348 HB3 -0.42 0.04 -0.22 -0.04 1.41 0.77 2z5yA1 ILE 349 H -0.14 0.61 0.31 -0.55 8.25 8.48 2z5yA1 ILE 349 HA -0.45 0.19 0.92 -0.75 4.18 4.08 2z5yA1 ILE 349 HB -0.18 -0.06 0.16 -0.04 1.89 1.77 2z5yA1 ILE 349 HG12 -1.15 -0.12 -0.30 -0.04 1.49 -0.11 2z5yA1 ILE 349 HG13 -0.73 -0.02 -0.06 -0.04 1.21 0.35 2z5yA1 ILE 349 HG23 -0.69 0.04 -0.14 -0.04 0.93 0.10 2z5yA1 ILE 349 HD13 -1.76 0.00 -0.04 -0.04 0.88 -0.95 2z5yA1 MET 350 H -0.21 0.64 0.23 -0.55 8.47 8.57 2z5yA1 MET 350 HA -0.13 0.14 0.84 -0.75 4.52 4.62 2z5yA1 MET 350 HB2 -0.09 -0.01 0.05 -0.04 2.15 2.07 2z5yA1 MET 350 HB3 -0.15 -0.03 0.17 -0.04 2.03 1.98 2z5yA1 MET 350 HG2 -0.19 0.03 -0.02 -0.04 2.63 2.41 2z5yA1 MET 350 HG3 -0.08 -0.01 -0.04 -0.04 2.56 2.39 2z5yA1 MET 350 HE3 -0.21 -0.01 -0.13 -0.04 2.10 1.72 2z5yA1 GLY 351 H -0.06 0.85 0.47 -0.55 8.43 9.14 2z5yA1 GLY 351 HA2 -0.09 0.26 1.14 -0.51 4.01 4.81 2z5yA1 GLY 351 HA3 0.10 -0.04 0.37 -0.51 4.01 3.93 2z5yA1 PHE 352 H 0.05 0.60 0.39 -0.55 8.34 8.83 2z5yA1 PHE 352 HA 0.11 0.31 1.25 -0.75 4.62 5.54 2z5yA1 PHE 352 HB2 0.09 -0.06 0.14 -0.04 3.15 3.28 2z5yA1 PHE 352 HB3 0.10 0.01 -0.11 -0.04 3.06 3.01 2z5yA1 PHE 352 HD2 0.13 0.02 -0.02 -0.04 7.28 7.37 2z5yA1 PHE 352 HE2 0.13 0.03 -0.09 -0.04 7.38 7.41 2z5yA1 PHE 352 HZ 0.19 -0.03 -0.08 -0.04 7.32 7.35 2z5yA1 ILE 353 H 0.25 0.77 0.34 -0.55 8.25 9.06 2z5yA1 ILE 353 HA 0.12 0.19 0.96 -0.75 4.18 4.70 2z5yA1 ILE 353 HB 0.12 -0.15 0.19 -0.04 1.89 2.00 2z5yA1 ILE 353 HG12 0.09 0.12 -0.26 -0.04 1.49 1.40 2z5yA1 ILE 353 HG13 0.13 0.01 -0.13 -0.04 1.21 1.18 2z5yA1 ILE 353 HG23 0.06 0.08 -0.21 -0.04 0.93 0.82 2z5yA1 ILE 353 HD13 0.08 -0.01 -0.09 -0.04 0.88 0.82 2z5yA1 LEU 354 H 0.07 0.25 0.14 -0.55 8.37 8.28 2z5yA1 LEU 354 HA -0.01 0.37 1.01 -0.75 4.35 4.96 2z5yA1 LEU 354 HB2 0.02 -0.07 -0.07 -0.04 1.64 1.49 2z5yA1 LEU 354 HB3 -0.06 0.09 0.04 -0.04 1.64 1.66 2z5yA1 LEU 354 HG 0.12 -0.10 -0.30 -0.04 1.64 1.32 2z5yA1 LEU 354 HD13 0.05 0.09 -0.16 -0.04 0.93 0.87 2z5yA1 LEU 354 HD23 -0.18 0.04 -0.13 -0.04 0.89 0.58 2z5yA1 ALA 355 H -0.06 0.69 0.33 -0.55 8.40 8.81 2z5yA1 ALA 355 HA -0.07 0.24 0.29 -0.75 4.34 4.05 2z5yA1 ALA 355 HB3 -0.05 0.02 -0.20 -0.04 1.41 1.13 2z5yA1 ARG 356 H -0.02 0.10 0.17 -0.55 8.46 8.15 2z5yA1 ARG 356 HA 0.00 0.09 0.38 -0.75 4.34 4.06 2z5yA1 ARG 356 HB2 0.01 -0.03 0.17 -0.04 1.90 2.01 2z5yA1 ARG 356 HB3 0.01 0.07 -0.01 -0.04 1.80 1.83 2z5yA1 ARG 356 HG2 0.02 0.05 0.06 -0.04 1.67 1.76 2z5yA1 ARG 356 HG3 0.02 -0.04 0.06 -0.04 1.67 1.67 2z5yA1 ARG 356 HD2 0.04 -0.02 0.02 -0.04 3.22 3.22 2z5yA1 ARG 356 HD3 0.03 0.04 0.00 -0.04 3.22 3.25 2z5yA1 LYS 357 H 0.02 0.21 -0.06 -0.55 8.42 8.03 2z5yA1 LYS 357 HA 0.03 0.05 0.36 -0.75 4.32 4.00 2z5yA1 LYS 357 HB2 0.04 0.14 0.15 -0.04 1.87 2.15 2z5yA1 LYS 357 HB3 0.05 0.06 -0.08 -0.04 1.79 1.77 2z5yA1 LYS 357 HG2 0.04 0.05 0.01 -0.04 1.46 1.52 2z5yA1 LYS 357 HG3 0.04 -0.13 0.05 -0.04 1.46 1.37 2z5yA1 LYS 357 HD2 0.06 -0.16 -0.01 -0.04 1.69 1.54 2z5yA1 LYS 357 HD3 0.06 0.30 -0.09 -0.04 1.68 1.91 2z5yA1 LYS 357 HE2 0.06 0.10 -0.05 -0.04 2.99 3.06 2z5yA1 LYS 357 HE3 0.06 -0.25 0.00 -0.04 2.99 2.77 2z5yA1 ALA 358 H 0.02 0.37 -0.68 -0.55 8.40 7.56 2z5yA1 ALA 358 HA 0.05 0.04 0.35 -0.75 4.34 4.03 2z5yA1 ALA 358 HB3 0.04 0.06 -0.34 -0.04 1.41 1.13 2z5yA1 ASP 359 H 0.02 0.33 -0.34 -0.55 8.40 7.86 2z5yA1 ASP 359 HA 0.02 0.02 0.20 -0.75 4.63 4.11 2z5yA1 ASP 359 HB2 0.01 0.14 0.16 -0.04 2.71 2.98 2z5yA1 ASP 359 HB3 0.01 -0.01 0.00 -0.04 2.70 2.66 2z5yA1 ARG 360 H 0.02 0.28 -0.36 -0.55 8.46 7.85 2z5yA1 ARG 360 HA 0.00 0.10 0.55 -0.75 4.34 4.24 2z5yA1 ARG 360 HB2 0.01 0.07 0.06 -0.04 1.90 2.01 2z5yA1 ARG 360 HB3 0.01 -0.03 0.00 -0.04 1.80 1.74 2z5yA1 ARG 360 HG2 0.01 -0.02 -0.06 -0.04 1.67 1.56 2z5yA1 ARG 360 HG3 0.01 0.18 -0.02 -0.04 1.67 1.80 2z5yA1 ARG 360 HD2 0.01 -0.01 -0.04 -0.04 3.22 3.14 2z5yA1 ARG 360 HD3 0.01 -0.06 -0.06 -0.04 3.22 3.07 2z5yA1 LEU 361 H 0.02 0.53 -0.06 -0.55 8.37 8.31 2z5yA1 LEU 361 HA 0.01 0.07 0.61 -0.75 4.35 4.28 2z5yA1 LEU 361 HB2 0.03 0.14 0.17 -0.04 1.64 1.94 2z5yA1 LEU 361 HB3 0.03 -0.08 0.00 -0.04 1.64 1.55 2z5yA1 LEU 361 HG 0.01 -0.04 -0.00 -0.04 1.64 1.57 2z5yA1 LEU 361 HD13 0.03 0.06 0.05 -0.04 0.93 1.03 2z5yA1 LEU 361 HD23 0.01 -0.03 0.02 -0.04 0.89 0.85 2z5yA1 ALA 362 H 0.02 0.54 -0.25 -0.55 8.40 8.16 2z5yA1 ALA 362 HA 0.01 -0.03 0.33 -0.75 4.34 3.90 2z5yA1 ALA 362 HB3 0.01 0.03 0.01 -0.04 1.41 1.42 2z5yA1 LYS 363 H -0.01 0.21 -0.80 -0.55 8.42 7.26 2z5yA1 LYS 363 HA -0.04 0.04 0.38 -0.75 4.32 3.94 2z5yA1 LYS 363 HB2 -0.02 0.30 0.09 -0.04 1.87 2.20 2z5yA1 LYS 363 HB3 -0.04 -0.09 0.03 -0.04 1.79 1.65 2z5yA1 LYS 363 HG2 -0.03 -0.05 0.03 -0.04 1.46 1.37 2z5yA1 LYS 363 HG3 -0.01 0.08 0.01 -0.04 1.46 1.50 2z5yA1 LYS 363 HD2 -0.01 0.04 0.06 -0.04 1.69 1.74 2z5yA1 LYS 363 HD3 -0.02 -0.06 0.02 -0.04 1.68 1.58 2z5yA1 LYS 363 HE2 -0.01 0.01 0.00 -0.04 2.99 2.95 2z5yA1 LYS 363 HE3 -0.00 0.01 -0.01 -0.04 2.99 2.95 2z5yA1 LEU 364 H -0.03 0.47 -0.31 -0.55 8.37 7.96 2z5yA1 LEU 364 HA -0.10 0.07 0.69 -0.75 4.35 4.26 2z5yA1 LEU 364 HB2 -0.01 0.03 0.01 -0.04 1.64 1.63 2z5yA1 LEU 364 HB3 -0.01 -0.16 0.13 -0.04 1.64 1.57 2z5yA1 LEU 364 HG -0.01 0.15 0.11 -0.04 1.64 1.85 2z5yA1 LEU 364 HD13 -0.01 -0.02 -0.04 -0.04 0.93 0.82 2z5yA1 LEU 364 HD23 -0.02 -0.01 -0.12 -0.04 0.89 0.70 2z5yA1 HIS 365 H -0.03 0.07 0.17 -0.55 8.41 8.07 2z5yA1 HIS 365 HA -0.00 0.20 0.70 -0.75 4.63 4.78 2z5yA1 HIS 365 HB2 -0.02 -0.06 0.16 -0.04 3.26 3.31 2z5yA1 HIS 365 HB3 -0.01 -0.11 0.09 -0.04 3.20 3.12 2z5yA1 HIS 365 HD2 -0.00 0.01 0.07 -0.04 6.97 7.00 2z5yA1 HIS 365 HE1 -0.01 0.03 0.03 -0.04 7.75 7.75 2z5yA1 LYS 366 H 0.11 0.22 0.15 -0.55 8.42 8.35 2z5yA1 LYS 366 HA 0.07 0.13 0.23 -0.75 4.32 3.99 2z5yA1 LYS 366 HB2 0.08 0.09 0.11 -0.04 1.87 2.11 2z5yA1 LYS 366 HB3 0.06 -0.02 0.14 -0.04 1.79 1.93 2z5yA1 LYS 366 HG2 0.11 -0.00 -0.20 -0.04 1.46 1.33 2z5yA1 LYS 366 HG3 0.25 -0.00 -0.02 -0.04 1.46 1.65 2z5yA1 LYS 366 HD2 0.07 0.02 0.00 -0.04 1.69 1.74 2z5yA1 LYS 366 HD3 0.05 0.00 0.01 -0.04 1.68 1.70 2z5yA1 LYS 366 HE2 0.09 -0.01 -0.05 -0.04 2.99 2.98 2z5yA1 LYS 366 HE3 0.14 -0.00 -0.06 -0.04 2.99 3.02 2z5yA1 GLU 367 H 0.02 0.07 -0.26 -0.55 8.60 7.89 2z5yA1 GLU 367 HA -0.10 0.13 0.32 -0.75 4.29 3.89 2z5yA1 GLU 367 HB2 -0.04 0.01 0.06 -0.04 2.09 2.08 2z5yA1 GLU 367 HB3 -0.04 -0.01 -0.00 -0.04 1.99 1.90 2z5yA1 GLU 367 HG2 -0.07 0.00 -0.00 -0.04 2.34 2.23 2z5yA1 GLU 367 HG3 -0.05 0.04 0.01 -0.04 2.34 2.29 2z5yA1 ILE 368 H 0.01 0.11 -0.22 -0.55 8.25 7.60 2z5yA1 ILE 368 HA -0.04 0.08 0.53 -0.75 4.18 3.99 2z5yA1 ILE 368 HB 0.02 0.12 0.12 -0.04 1.89 2.11 2z5yA1 ILE 368 HG12 0.06 -0.13 0.06 -0.04 1.49 1.45 2z5yA1 ILE 368 HG13 0.08 0.03 0.07 -0.04 1.21 1.36 2z5yA1 ILE 368 HG23 -0.00 0.01 -0.02 -0.04 0.93 0.88 2z5yA1 ILE 368 HD13 -0.00 0.02 -0.03 -0.04 0.88 0.82 2z5yA1 ARG 369 H -0.03 0.52 -0.14 -0.55 8.46 8.26 2z5yA1 ARG 369 HA -0.04 0.05 0.40 -0.75 4.34 3.99 2z5yA1 ARG 369 HB2 0.01 0.11 -0.05 -0.04 1.90 1.93 2z5yA1 ARG 369 HB3 0.00 0.03 -0.04 -0.04 1.80 1.76 2z5yA1 ARG 369 HG2 0.05 -0.04 -0.10 -0.04 1.67 1.54 2z5yA1 ARG 369 HG3 0.01 -0.01 -0.00 -0.04 1.67 1.63 2z5yA1 ARG 369 HD2 0.06 -0.08 -0.18 -0.04 3.22 2.98 2z5yA1 ARG 369 HD3 0.03 0.36 -0.17 -0.04 3.22 3.40 2z5yA1 LYS 370 H -0.26 0.63 -0.19 -0.55 8.42 8.04 2z5yA1 LYS 370 HA -0.69 -0.00 0.42 -0.75 4.32 3.29 2z5yA1 LYS 370 HB2 -1.08 0.01 0.07 -0.04 1.87 0.83 2z5yA1 LYS 370 HB3 -0.36 0.12 0.14 -0.04 1.79 1.65 2z5yA1 LYS 370 HG2 -0.32 0.01 -0.21 -0.04 1.46 0.91 2z5yA1 LYS 370 HG3 -0.75 -0.04 0.00 -0.04 1.46 0.63 2z5yA1 LYS 370 HD2 -0.24 -0.04 -0.06 -0.04 1.69 1.31 2z5yA1 LYS 370 HD3 -0.21 -0.01 -0.04 -0.04 1.68 1.38 2z5yA1 LYS 370 HE2 -0.11 0.03 -0.09 -0.04 2.99 2.78 2z5yA1 LYS 370 HE3 -0.07 -0.01 -0.14 -0.04 2.99 2.73 2z5yA1 LYS 371 H -0.16 0.33 -0.34 -0.55 8.42 7.70 2z5yA1 LYS 371 HA -0.12 0.04 0.39 -0.75 4.32 3.88 2z5yA1 LYS 371 HB2 -0.08 0.09 0.16 -0.04 1.87 1.99 2z5yA1 LYS 371 HB3 -0.07 0.06 0.22 -0.04 1.79 1.95 2z5yA1 LYS 371 HG2 -0.06 -0.03 -0.09 -0.04 1.46 1.24 2z5yA1 LYS 371 HG3 -0.06 0.00 0.06 -0.04 1.46 1.42 2z5yA1 LYS 371 HD2 -0.04 -0.02 0.01 -0.04 1.69 1.60 2z5yA1 LYS 371 HD3 -0.03 -0.01 -0.02 -0.04 1.68 1.58 2z5yA1 LYS 371 HE2 -0.04 0.02 -0.00 -0.04 2.99 2.93 2z5yA1 LYS 371 HE3 -0.04 -0.02 -0.03 -0.04 2.99 2.87 2z5yA1 LYS 372 H -0.10 0.61 -0.12 -0.55 8.42 8.25 2z5yA1 LYS 372 HA -0.07 0.01 0.23 -0.75 4.32 3.73 2z5yA1 LYS 372 HB2 -0.07 0.10 0.09 -0.04 1.87 1.95 2z5yA1 LYS 372 HB3 -0.05 -0.03 0.08 -0.04 1.79 1.75 2z5yA1 LYS 372 HG2 -0.05 0.12 0.11 -0.04 1.46 1.60 2z5yA1 LYS 372 HG3 -0.03 -0.03 -0.02 -0.04 1.46 1.34 2z5yA1 LYS 372 HD2 -0.02 0.01 0.02 -0.04 1.69 1.66 2z5yA1 LYS 372 HD3 -0.03 -0.04 -0.01 -0.04 1.68 1.56 2z5yA1 LYS 372 HE2 -0.01 -0.04 -0.02 -0.04 2.99 2.88 2z5yA1 LYS 372 HE3 -0.01 0.02 -0.03 -0.04 2.99 2.93 2z5yA1 ILE 373 H -0.18 0.34 -0.48 -0.55 8.25 7.38 2z5yA1 ILE 373 HA -0.28 0.01 0.49 -0.75 4.18 3.64 2z5yA1 ILE 373 HB -0.24 0.11 0.11 -0.04 1.89 1.83 2z5yA1 ILE 373 HG12 -0.10 -0.08 -0.08 -0.04 1.49 1.18 2z5yA1 ILE 373 HG13 -0.10 0.03 -0.05 -0.04 1.21 1.05 2z5yA1 ILE 373 HG23 -0.52 -0.01 -0.17 -0.04 0.93 0.18 2z5yA1 ILE 373 HD13 0.05 -0.00 -0.19 -0.04 0.88 0.69 2z5yA1 CYS 374 H -0.20 0.53 0.01 -0.55 8.50 8.30 2z5yA1 CYS 374 HA -0.01 0.02 0.49 -0.75 4.58 4.33 2z5yA1 CYS 374 HB2 -0.08 0.13 0.16 -0.04 2.97 3.13 2z5yA1 CYS 374 HB3 -0.00 -0.04 -0.05 -0.04 2.97 2.83 2z5yA1 GLU 375 H -0.10 0.50 -0.29 -0.55 8.60 8.17 2z5yA1 GLU 375 HA -0.03 0.01 0.38 -0.75 4.29 3.90 2z5yA1 GLU 375 HB2 -0.06 0.13 0.09 -0.04 2.09 2.21 2z5yA1 GLU 375 HB3 -0.04 -0.02 -0.09 -0.04 1.99 1.81 2z5yA1 GLU 375 HG2 -0.02 -0.04 -0.01 -0.04 2.34 2.23 2z5yA1 GLU 375 HG3 -0.04 -0.03 0.00 -0.04 2.34 2.24 2z5yA1 LEU 376 H -0.12 0.41 -0.22 -0.55 8.37 7.89 2z5yA1 LEU 376 HA -0.08 0.01 0.57 -0.75 4.35 4.10 2z5yA1 LEU 376 HB2 -0.08 0.04 0.14 -0.04 1.64 1.71 2z5yA1 LEU 376 HB3 -0.16 0.13 0.20 -0.04 1.64 1.76 2z5yA1 LEU 376 HG -0.07 -0.05 -0.18 -0.04 1.64 1.30 2z5yA1 LEU 376 HD13 -0.13 -0.02 -0.02 -0.04 0.93 0.73 2z5yA1 LEU 376 HD23 0.03 -0.01 -0.06 -0.04 0.89 0.81 2z5yA1 TYR 377 H -0.12 0.73 -0.07 -0.55 8.29 8.29 2z5yA1 TYR 377 HA -0.03 -0.01 0.32 -0.75 4.56 4.09 2z5yA1 TYR 377 HB2 0.13 0.10 0.09 -0.04 3.06 3.35 2z5yA1 TYR 377 HB3 0.12 -0.09 -0.06 -0.04 2.98 2.92 2z5yA1 TYR 377 HD2 0.09 -0.04 -0.16 -0.04 7.15 7.00 2z5yA1 TYR 377 HE2 -0.01 -0.02 -0.10 -0.04 6.85 6.69 2z5yA1 ALA 378 H 0.11 0.63 -0.25 -0.55 8.40 8.34 2z5yA1 ALA 378 HA 0.10 0.08 0.40 -0.75 4.34 4.17 2z5yA1 ALA 378 HB3 0.02 0.01 0.07 -0.04 1.41 1.47 2z5yA1 LYS 379 H 0.01 0.43 -0.25 -0.55 8.42 8.06 2z5yA1 LYS 379 HA 0.03 0.00 0.32 -0.75 4.32 3.92 2z5yA1 LYS 379 HB2 -0.02 0.14 0.16 -0.04 1.87 2.12 2z5yA1 LYS 379 HB3 -0.14 0.02 0.14 -0.04 1.79 1.77 2z5yA1 LYS 379 HG2 0.10 0.01 -0.11 -0.04 1.46 1.41 2z5yA1 LYS 379 HG3 0.06 -0.02 0.02 -0.04 1.46 1.48 2z5yA1 LYS 379 HD2 0.03 0.03 -0.02 -0.04 1.69 1.69 2z5yA1 LYS 379 HD3 0.16 -0.06 -0.04 -0.04 1.68 1.70 2z5yA1 LYS 379 HE2 0.08 0.01 -0.01 -0.04 2.99 3.03 2z5yA1 LYS 379 HE3 0.05 0.01 -0.01 -0.04 2.99 2.99 2z5yA1 VAL 380 H -0.09 0.67 -0.09 -0.55 8.24 8.18 2z5yA1 VAL 380 HA -0.10 -0.03 0.04 -0.75 4.13 3.29 2z5yA1 VAL 380 HB -0.07 0.03 -0.02 -0.04 2.12 2.02 2z5yA1 VAL 380 HG13 -0.05 -0.03 -0.23 -0.04 0.97 0.62 2z5yA1 VAL 380 HG23 -0.53 0.06 -0.07 -0.04 0.95 0.37 2z5yA1 LEU 381 H 0.08 0.76 -0.16 -0.55 8.37 8.50 2z5yA1 LEU 381 HA 0.11 0.10 0.44 -0.75 4.35 4.25 2z5yA1 LEU 381 HB2 0.30 0.06 -0.05 -0.04 1.64 1.92 2z5yA1 LEU 381 HB3 0.38 -0.08 -0.00 -0.04 1.64 1.90 2z5yA1 LEU 381 HG -0.04 -0.00 -0.11 -0.04 1.64 1.45 2z5yA1 LEU 381 HD13 -0.06 -0.04 -0.12 -0.04 0.93 0.67 2z5yA1 LEU 381 HD23 -0.05 -0.00 -0.16 -0.04 0.89 0.64 2z5yA1 GLY 382 H 0.11 0.39 -0.46 -0.55 8.43 7.92 2z5yA1 GLY 382 HA2 0.09 0.04 0.34 -0.51 4.01 3.97 2z5yA1 GLY 382 HA3 0.13 -0.02 0.37 -0.51 4.01 3.99 2z5yA1 SER 383 H 0.12 0.49 0.04 -0.55 8.46 8.55 2z5yA1 SER 383 HA 0.02 0.17 0.67 -0.75 4.49 4.60 2z5yA1 SER 383 HB2 0.17 0.26 -0.23 -0.04 3.95 4.11 2z5yA1 SER 383 HB3 0.13 -0.05 -0.17 -0.04 3.93 3.80 2z5yA1 GLN 384 H -0.06 0.19 0.15 -0.55 8.47 8.20 2z5yA1 GLN 384 HA -0.02 0.20 0.64 -0.75 4.36 4.43 2z5yA1 GLN 384 HB2 0.01 0.01 0.03 -0.04 2.15 2.15 2z5yA1 GLN 384 HB3 0.06 0.03 0.03 -0.04 2.02 2.10 2z5yA1 GLN 384 HG2 0.01 0.02 -0.08 -0.04 2.40 2.31 2z5yA1 GLN 384 HG3 0.02 0.03 -0.03 -0.04 2.39 2.37 2z5yA1 GLN 384 HE21 0.02 0.03 -0.20 -0.04 6.97 6.78 2z5yA1 GLN 384 HE22 0.02 -0.05 -0.48 -0.04 7.69 7.14 2z5yA1 GLU 385 H -0.27 0.05 -0.01 -0.55 8.60 7.82 2z5yA1 GLU 385 HA 0.01 0.16 0.40 -0.75 4.29 4.10 2z5yA1 GLU 385 HB2 -0.45 -0.01 0.09 -0.04 2.09 1.68 2z5yA1 GLU 385 HB3 -1.57 0.02 -0.08 -0.04 1.99 0.32 2z5yA1 GLU 385 HG2 -0.18 0.01 0.06 -0.04 2.34 2.19 2z5yA1 GLU 385 HG3 -0.11 0.04 0.06 -0.04 2.34 2.30 2z5yA1 ALA 386 H -0.31 0.11 -0.74 -0.55 8.40 6.92 2z5yA1 ALA 386 HA 0.02 0.07 0.26 -0.75 4.34 3.93 2z5yA1 ALA 386 HB3 0.25 0.03 -0.13 -0.04 1.41 1.52 2z5yA1 LEU 387 H -0.09 0.44 -0.51 -0.55 8.37 7.67 2z5yA1 LEU 387 HA -0.07 0.06 0.38 -0.75 4.35 3.97 2z5yA1 LEU 387 HB2 -0.24 0.24 0.12 -0.04 1.64 1.72 2z5yA1 LEU 387 HB3 -0.48 -0.02 0.10 -0.04 1.64 1.21 2z5yA1 LEU 387 HG -0.11 -0.01 0.00 -0.04 1.64 1.48 2z5yA1 LEU 387 HD13 -0.03 -0.02 -0.23 -0.04 0.93 0.60 2z5yA1 LEU 387 HD23 -0.06 -0.01 0.02 -0.04 0.89 0.79 2z5yA1 HIS 388 H 0.19 0.27 -0.82 -0.55 8.41 7.50 2z5yA1 HIS 388 HA 0.09 0.22 0.89 -0.75 4.63 5.07 2z5yA1 HIS 388 HB2 0.09 0.00 0.15 -0.04 3.26 3.47 2z5yA1 HIS 388 HB3 0.08 -0.03 0.11 -0.04 3.20 3.32 2z5yA1 HIS 388 HD2 -0.04 -0.04 -0.10 -0.04 6.97 6.75 2z5yA1 HIS 388 HE1 0.01 -0.03 -0.05 -0.04 7.75 7.63 2z5yA1 PRO 389 HA -0.24 0.11 0.72 -0.51 4.44 4.52 2z5yA1 PRO 389 HB2 -0.08 -0.05 0.01 -0.04 2.28 2.13 2z5yA1 PRO 389 HB3 -0.31 0.01 0.11 -0.04 2.02 1.79 2z5yA1 PRO 389 HG2 -0.01 -0.01 0.01 -0.04 2.03 1.97 2z5yA1 PRO 389 HG3 -0.04 0.01 0.00 -0.04 2.03 1.97 2z5yA1 PRO 389 HD2 0.02 0.22 -0.24 -0.04 3.68 3.64 2z5yA1 PRO 389 HD3 0.13 0.23 -0.16 -0.04 3.65 3.81 2z5yA1 VAL 390 H 0.05 0.44 0.30 -0.55 8.24 8.48 2z5yA1 VAL 390 HA 0.10 0.18 0.81 -0.75 4.13 4.47 2z5yA1 VAL 390 HB 0.12 -0.02 0.09 -0.04 2.12 2.26 2z5yA1 VAL 390 HG13 0.13 -0.01 -0.02 -0.04 0.97 1.04 2z5yA1 VAL 390 HG23 0.17 0.01 -0.33 -0.04 0.95 0.76 2z5yA1 HIS 391 H 0.10 0.29 -0.02 -0.55 8.41 8.23 2z5yA1 HIS 391 HA -0.01 0.06 0.47 -0.75 4.63 4.40 2z5yA1 HIS 391 HB2 -0.05 0.16 -0.34 -0.04 3.26 2.99 2z5yA1 HIS 391 HB3 -0.04 -0.02 -0.16 -0.04 3.20 2.94 2z5yA1 HIS 391 HD2 -0.31 0.01 -0.35 -0.04 6.97 6.28 2z5yA1 HIS 391 HE1 -0.49 -0.03 -0.01 -0.04 7.75 7.16 2z5yA1 TYR 392 H -0.75 0.25 0.14 -0.55 8.29 7.38 2z5yA1 TYR 392 HA -0.01 0.41 0.98 -0.75 4.56 5.19 2z5yA1 TYR 392 HB2 -0.10 0.03 -0.11 -0.04 3.06 2.84 2z5yA1 TYR 392 HB3 -0.18 -0.05 0.06 -0.04 2.98 2.77 2z5yA1 TYR 392 HD2 -0.06 -0.01 -0.11 -0.04 7.15 6.93 2z5yA1 TYR 392 HE2 -0.03 -0.04 -0.15 -0.04 6.85 6.60 2z5yA1 GLU 393 H -0.29 0.63 0.35 -0.55 8.60 8.75 2z5yA1 GLU 393 HA -0.27 0.16 0.87 -0.75 4.29 4.30 2z5yA1 GLU 393 HB2 0.03 -0.01 0.06 -0.04 2.09 2.14 2z5yA1 GLU 393 HB3 -0.05 0.04 -0.04 -0.04 1.99 1.89 2z5yA1 GLU 393 HG2 0.18 -0.03 -0.35 -0.04 2.34 2.10 2z5yA1 GLU 393 HG3 0.17 0.01 -0.16 -0.04 2.34 2.32 2z5yA1 GLU 394 H -0.21 0.24 0.18 -0.55 8.60 8.27 2z5yA1 GLU 394 HA -0.16 0.40 0.91 -0.75 4.29 4.69 2z5yA1 GLU 394 HB2 -0.00 0.04 0.03 -0.04 2.09 2.11 2z5yA1 GLU 394 HB3 -0.39 -0.02 -0.22 -0.04 1.99 1.32 2z5yA1 GLU 394 HG2 -0.00 -0.05 -0.02 -0.04 2.34 2.23 2z5yA1 GLU 394 HG3 -0.01 -0.02 -0.18 -0.04 2.34 2.09 2z5yA1 LYS 395 H 0.03 0.76 0.30 -0.55 8.42 8.97 2z5yA1 LYS 395 HA -0.14 0.11 0.62 -0.75 4.32 4.16 2z5yA1 LYS 395 HB2 -0.04 0.00 -0.01 -0.04 1.87 1.78 2z5yA1 LYS 395 HB3 0.15 0.09 0.20 -0.04 1.79 2.19 2z5yA1 LYS 395 HG2 -0.59 0.04 -0.13 -0.04 1.46 0.74 2z5yA1 LYS 395 HG3 -1.15 -0.05 -0.43 -0.04 1.46 -0.21 2z5yA1 LYS 395 HD2 -0.37 -0.03 0.01 -0.04 1.69 1.25 2z5yA1 LYS 395 HD3 -0.19 0.03 0.04 -0.04 1.68 1.52 2z5yA1 LYS 395 HE2 -0.26 -0.02 -0.12 -0.04 2.99 2.54 2z5yA1 LYS 395 HE3 -0.99 -0.00 -0.13 -0.04 2.99 1.83 2z5yA1 ASN 396 H -0.16 0.20 0.05 -0.55 8.53 8.08 2z5yA1 ASN 396 HA 0.04 0.13 0.93 -0.75 4.76 5.11 2z5yA1 ASN 396 HB2 -0.02 0.05 0.08 -0.04 2.88 2.95 2z5yA1 ASN 396 HB3 -0.07 0.02 0.19 -0.04 2.79 2.88 2z5yA1 ASN 396 HD21 0.02 0.05 -0.02 -0.04 7.03 7.04 2z5yA1 ASN 396 HD22 0.01 0.06 0.02 -0.04 7.74 7.79 2z5yA1 TRP 397 H 0.29 0.58 0.36 -0.55 7.97 8.65 2z5yA1 TRP 397 HA 0.05 0.11 0.41 -0.75 4.62 4.44 2z5yA1 TRP 397 HB2 0.04 0.05 0.14 -0.04 3.23 3.41 2z5yA1 TRP 397 HB3 0.05 -0.03 -0.08 -0.04 3.23 3.12 2z5yA1 TRP 397 HD1 0.10 0.01 0.01 -0.04 7.22 7.30 2z5yA1 TRP 397 HE1 0.13 0.74 0.23 -0.04 10.20 11.26 2z5yA1 TRP 397 HE3 0.07 -0.06 -0.04 -0.04 7.59 7.52 2z5yA1 TRP 397 HZ2 0.20 -0.08 -0.47 -0.04 7.44 7.04 2z5yA1 TRP 397 HZ3 0.08 0.01 -0.12 -0.04 7.13 7.06 2z5yA1 TRP 397 HH2 0.16 0.08 -0.22 -0.04 7.19 7.18 2z5yA1 CYS 398 H 0.13 0.13 -0.08 -0.55 8.50 8.13 2z5yA1 CYS 398 HA 0.09 0.28 0.35 -0.75 4.58 4.55 2z5yA1 CYS 398 HB2 0.03 0.01 -0.07 -0.04 2.97 2.90 2z5yA1 CYS 398 HB3 0.04 0.13 0.08 -0.04 2.97 3.18 2z5yA1 GLU 399 H 0.01 0.10 -0.37 -0.55 8.60 7.79 2z5yA1 GLU 399 HA -0.02 0.16 0.40 -0.75 4.29 4.08 2z5yA1 GLU 399 HB2 -0.05 0.07 0.05 -0.04 2.09 2.11 2z5yA1 GLU 399 HB3 -0.04 -0.02 0.15 -0.04 1.99 2.04 2z5yA1 GLU 399 HG2 -0.02 0.05 -0.02 -0.04 2.34 2.31 2z5yA1 GLU 399 HG3 -0.01 -0.08 -0.08 -0.04 2.34 2.14 2z5yA1 GLU 400 H 0.03 0.38 -0.71 -0.55 8.60 7.75 2z5yA1 GLU 400 HA -0.06 0.11 0.80 -0.75 4.29 4.39 2z5yA1 GLU 400 HB2 0.19 0.18 0.16 -0.04 2.09 2.58 2z5yA1 GLU 400 HB3 0.11 -0.15 -0.00 -0.04 1.99 1.90 2z5yA1 GLU 400 HG2 -0.28 0.14 -0.10 -0.04 2.34 2.05 2z5yA1 GLU 400 HG3 -0.53 -0.01 -0.06 -0.04 2.34 1.70 2z5yA1 GLN 401 H -0.11 0.23 0.12 -0.55 8.47 8.17 2z5yA1 GLN 401 HA -0.15 0.17 0.28 -0.75 4.36 3.90 2z5yA1 GLN 401 HB2 -0.46 0.06 0.05 -0.04 2.15 1.76 2z5yA1 GLN 401 HB3 -0.21 0.06 0.08 -0.04 2.02 1.92 2z5yA1 GLN 401 HG2 -0.18 0.03 0.11 -0.04 2.40 2.31 2z5yA1 GLN 401 HG3 -0.59 -0.11 0.03 -0.04 2.39 1.68 2z5yA1 GLN 401 HE21 0.03 0.03 -0.00 -0.04 6.97 6.99 2z5yA1 GLN 401 HE22 0.03 -0.05 0.01 -0.04 7.69 7.64 2z5yA1 TYR 402 H -0.00 0.01 -0.29 -0.55 8.29 7.45 2z5yA1 TYR 402 HA 0.02 0.29 0.70 -0.75 4.56 4.82 2z5yA1 TYR 402 HB2 0.02 -0.03 0.04 -0.04 3.06 3.05 2z5yA1 TYR 402 HB3 0.03 -0.06 0.15 -0.04 2.98 3.05 2z5yA1 TYR 402 HD2 -0.01 0.01 -0.02 -0.04 7.15 7.10 2z5yA1 TYR 402 HE2 -0.02 0.06 -0.05 -0.04 6.85 6.79 2z5yA1 SER 403 H 0.11 0.35 -0.38 -0.55 8.46 8.00 2z5yA1 SER 403 HA 0.16 0.13 0.97 -0.75 4.49 5.00 2z5yA1 SER 403 HB2 0.37 0.04 0.10 -0.04 3.95 4.42 2z5yA1 SER 403 HB3 0.29 0.13 0.03 -0.04 3.93 4.34 2z5yA1 GLY 404 H 0.09 0.51 0.17 -0.55 8.43 8.66 2z5yA1 GLY 404 HA2 0.02 0.07 0.37 -0.51 4.01 3.96 2z5yA1 GLY 404 HA3 0.03 0.06 0.66 -0.51 4.01 4.25 2z5yA1 GLY 405 H 0.17 0.06 -0.30 -0.55 8.43 7.81 2z5yA1 GLY 405 HA2 0.20 -0.16 -0.12 -0.51 4.01 3.42 2z5yA1 GLY 405 HA3 0.09 0.42 0.43 -0.51 4.01 4.43 2z5yA1 CYS 406 H 0.04 0.27 -0.04 -0.55 8.50 8.22 2z5yA1 CYS 406 HA -0.03 0.20 0.38 -0.75 4.58 4.37 2z5yA1 CYS 406 HB2 -0.13 -0.10 -0.08 -0.04 2.97 2.63 2z5yA1 CYS 406 HB3 -0.14 0.02 -0.01 -0.04 2.97 2.80 2z5yA1 TYR 407 H -0.68 0.18 -0.03 -0.55 8.29 7.21 2z5yA1 TYR 407 HA -0.19 -0.02 0.37 -0.75 4.56 3.97 2z5yA1 TYR 407 HB2 -0.08 0.11 -0.00 -0.04 3.06 3.05 2z5yA1 TYR 407 HB3 -0.18 -0.01 0.12 -0.04 2.98 2.88 2z5yA1 TYR 407 HD2 -0.19 0.02 -0.03 -0.04 7.15 6.92 2z5yA1 TYR 407 HE2 -0.44 0.06 -0.04 -0.04 6.85 6.39 2z5yA1 THR 408 H 0.06 0.26 -0.14 -0.55 8.28 7.92 2z5yA1 THR 408 HA 0.13 0.11 0.84 -0.75 4.39 4.71 2z5yA1 THR 408 HB 0.25 0.05 -0.28 -0.04 4.32 4.29 2z5yA1 THR 408 HG23 0.39 0.09 -0.13 -0.04 1.22 1.52 2z5yA1 ALA 409 H 0.16 0.01 0.11 -0.55 8.40 8.13 2z5yA1 ALA 409 HA -0.07 0.21 0.51 -0.75 4.34 4.23 2z5yA1 ALA 409 HB3 -0.09 0.00 -0.00 -0.04 1.41 1.28 2z5yA1 TYR 410 H -0.48 0.80 0.21 -0.55 8.29 8.28 2z5yA1 TYR 410 HA -1.25 0.09 0.66 -0.75 4.56 3.30 2z5yA1 TYR 410 HB2 -0.35 -0.13 -0.00 -0.04 3.06 2.54 2z5yA1 TYR 410 HB3 -0.04 0.08 -0.07 -0.04 2.98 2.91 2z5yA1 TYR 410 HD2 -0.11 -0.02 -0.41 -0.04 7.15 6.57 2z5yA1 TYR 410 HE2 -0.08 0.12 -0.22 -0.04 6.85 6.62 2z5yA1 PHE 411 H -1.81 0.08 0.07 -0.55 8.34 6.12 2z5yA1 PHE 411 HA -0.42 0.36 1.03 -0.75 4.62 4.84 2z5yA1 PHE 411 HB2 -0.99 -0.10 0.17 -0.04 3.15 2.19 2z5yA1 PHE 411 HB3 -0.12 -0.05 0.04 -0.04 3.06 2.89 2z5yA1 PHE 411 HD2 -0.67 -0.08 -0.15 -0.04 7.28 6.34 2z5yA1 PHE 411 HE2 -0.01 0.01 -0.12 -0.04 7.38 7.22 2z5yA1 PHE 411 HZ -0.03 0.06 -0.04 -0.04 7.32 7.27 2z5yA1 PRO 412 HA 0.17 0.28 0.81 -0.51 4.44 5.19 2z5yA1 PRO 412 HB2 0.04 0.02 0.09 -0.04 2.28 2.39 2z5yA1 PRO 412 HB3 0.08 0.05 0.21 -0.04 2.02 2.32 2z5yA1 PRO 412 HG2 -0.13 0.16 0.22 -0.04 2.03 2.23 2z5yA1 PRO 412 HG3 -0.13 -0.00 0.13 -0.04 2.03 1.98 2z5yA1 PRO 412 HD2 -0.22 0.06 0.35 -0.04 3.68 3.83 2z5yA1 PRO 412 HD3 -0.43 0.41 0.32 -0.04 3.65 3.90 2z5yA1 PRO 413 HA 0.16 0.05 0.49 -0.51 4.44 4.63 2z5yA1 PRO 413 HB2 0.09 -0.01 0.03 -0.04 2.28 2.35 2z5yA1 PRO 413 HB3 0.11 0.17 -0.05 -0.04 2.02 2.20 2z5yA1 PRO 413 HG2 0.09 0.01 -0.11 -0.04 2.03 1.99 2z5yA1 PRO 413 HG3 0.13 0.01 -0.29 -0.04 2.03 1.84 2z5yA1 PRO 413 HD2 0.09 0.12 0.12 -0.04 3.68 3.97 2z5yA1 PRO 413 HD3 0.12 0.27 -0.08 -0.04 3.65 3.93 2z5yA1 GLY 414 H 0.12 0.80 0.25 -0.55 8.43 9.05 2z5yA1 GLY 414 HA2 0.06 -0.04 0.34 -0.51 4.01 3.85 2z5yA1 GLY 414 HA3 0.05 0.15 0.45 -0.51 4.01 4.14 2z5yA1 ILE 415 H 0.12 0.67 -0.58 -0.55 8.25 7.92 2z5yA1 ILE 415 HA 0.11 0.05 0.29 -0.75 4.18 3.87 2z5yA1 ILE 415 HB 0.20 0.02 0.10 -0.04 1.89 2.17 2z5yA1 ILE 415 HG12 0.06 0.19 0.01 -0.04 1.49 1.72 2z5yA1 ILE 415 HG13 -0.06 0.18 0.14 -0.04 1.21 1.44 2z5yA1 ILE 415 HG23 0.01 0.00 -0.08 -0.04 0.93 0.83 2z5yA1 ILE 415 HD13 0.11 -0.04 0.01 -0.04 0.88 0.92 2z5yA1 MET 416 H 0.23 0.14 -0.28 -0.55 8.47 8.00 2z5yA1 MET 416 HA 0.25 0.09 0.23 -0.75 4.52 4.34 2z5yA1 MET 416 HB2 -0.08 0.04 0.02 -0.04 2.15 2.09 2z5yA1 MET 416 HB3 0.13 -0.06 0.02 -0.04 2.03 2.07 2z5yA1 MET 416 HG2 0.05 -0.01 -0.22 -0.04 2.63 2.40 2z5yA1 MET 416 HG3 0.21 0.02 -0.39 -0.04 2.56 2.35 2z5yA1 MET 416 HE3 -0.50 0.01 -0.08 -0.04 2.10 1.49 2z5yA1 THR 417 H 0.08 0.11 -0.19 -0.55 8.28 7.73 2z5yA1 THR 417 HA 0.09 0.10 0.45 -0.75 4.39 4.27 2z5yA1 THR 417 HB 0.02 0.04 0.01 -0.04 4.32 4.35 2z5yA1 THR 417 HG23 0.10 -0.02 -0.17 -0.04 1.22 1.09 2z5yA1 GLN 418 H -0.09 0.38 -0.23 -0.55 8.47 7.98 2z5yA1 GLN 418 HA -0.27 0.11 0.48 -0.75 4.36 3.93 2z5yA1 GLN 418 HB2 -0.28 0.00 0.04 -0.04 2.15 1.87 2z5yA1 GLN 418 HB3 -0.77 0.02 0.01 -0.04 2.02 1.24 2z5yA1 GLN 418 HG2 -1.04 0.01 -0.05 -0.04 2.40 1.27 2z5yA1 GLN 418 HG3 -0.35 -0.03 0.02 -0.04 2.39 1.99 2z5yA1 GLN 418 HE21 -0.05 -0.01 -0.05 -0.04 6.97 6.81 2z5yA1 GLN 418 HE22 -0.22 0.04 -0.09 -0.04 7.69 7.38 2z5yA1 TYR 419 H -0.08 0.58 0.12 -0.55 8.29 8.36 2z5yA1 TYR 419 HA -0.12 0.17 0.90 -0.75 4.56 4.75 2z5yA1 TYR 419 HB2 -0.07 0.07 0.00 -0.04 3.06 3.03 2z5yA1 TYR 419 HB3 -0.11 -0.00 0.02 -0.04 2.98 2.84 2z5yA1 TYR 419 HD2 -0.07 0.01 -0.03 -0.04 7.15 7.02 2z5yA1 TYR 419 HE2 -0.05 -0.02 -0.07 -0.04 6.85 6.67 2z5yA1 GLY 420 H 0.02 0.22 0.13 -0.55 8.43 8.25 2z5yA1 GLY 420 HA2 0.12 0.01 0.31 -0.51 4.01 3.93 2z5yA1 GLY 420 HA3 0.01 0.11 0.40 -0.51 4.01 4.02 2z5yA1 ARG 421 H -0.59 0.18 -0.47 -0.55 8.46 7.03 2z5yA1 ARG 421 HA -2.77 0.07 0.11 -0.75 4.34 0.99 2z5yA1 ARG 421 HB2 -0.97 0.00 0.13 -0.04 1.90 1.03 2z5yA1 ARG 421 HB3 -2.33 -0.03 0.01 -0.04 1.80 -0.60 2z5yA1 ARG 421 HG2 -0.45 0.03 -0.08 -0.04 1.67 1.13 2z5yA1 ARG 421 HG3 -0.35 -0.01 -0.07 -0.04 1.67 1.21 2z5yA1 ARG 421 HD2 -0.18 -0.01 -0.03 -0.04 3.22 2.96 2z5yA1 ARG 421 HD3 -0.23 -0.03 -0.03 -0.04 3.22 2.89 2z5yA1 VAL 422 H -0.32 0.27 -0.64 -0.55 8.24 6.99 2z5yA1 VAL 422 HA -0.16 0.19 0.95 -0.75 4.13 4.35 2z5yA1 VAL 422 HB -0.17 0.03 0.13 -0.04 2.12 2.07 2z5yA1 VAL 422 HG13 -0.15 -0.02 -0.15 -0.04 0.97 0.61 2z5yA1 VAL 422 HG23 -0.16 0.05 -0.12 -0.04 0.95 0.68 2z5yA1 ILE 423 H -0.12 0.43 -0.01 -0.55 8.25 8.00 2z5yA1 ILE 423 HA -0.08 0.00 0.23 -0.75 4.18 3.58 2z5yA1 ILE 423 HB 0.15 0.06 -0.14 -0.04 1.89 1.92 2z5yA1 ILE 423 HG12 0.23 -0.05 0.04 -0.04 1.49 1.68 2z5yA1 ILE 423 HG13 0.04 0.25 0.20 -0.04 1.21 1.66 2z5yA1 ILE 423 HG23 0.14 -0.00 -0.04 -0.04 0.93 0.99 2z5yA1 ILE 423 HD13 0.27 -0.05 -0.02 -0.04 0.88 1.04 2z5yA1 ARG 424 H 0.06 0.02 -0.38 -0.55 8.46 7.61 2z5yA1 ARG 424 HA 0.10 0.28 1.03 -0.75 4.34 5.00 2z5yA1 ARG 424 HB2 0.24 0.03 0.17 -0.04 1.90 2.31 2z5yA1 ARG 424 HB3 0.22 -0.01 -0.11 -0.04 1.80 1.86 2z5yA1 ARG 424 HG2 0.26 -0.06 -0.03 -0.04 1.67 1.79 2z5yA1 ARG 424 HG3 0.30 -0.02 -0.12 -0.04 1.67 1.79 2z5yA1 ARG 424 HD2 0.53 -0.08 0.01 -0.04 3.22 3.63 2z5yA1 ARG 424 HD3 0.36 0.36 0.06 -0.04 3.22 3.96 2z5yA1 GLN 425 H -0.04 0.17 -0.17 -0.55 8.47 7.89 2z5yA1 GLN 425 HA 0.10 0.07 0.51 -0.75 4.36 4.28 2z5yA1 GLN 425 HB2 -0.01 -0.05 0.16 -0.04 2.15 2.21 2z5yA1 GLN 425 HB3 -0.09 0.03 0.16 -0.04 2.02 2.08 2z5yA1 GLN 425 HG2 -0.02 0.34 -0.07 -0.04 2.40 2.60 2z5yA1 GLN 425 HG3 0.03 -0.04 0.10 -0.04 2.39 2.44 2z5yA1 GLN 425 HE21 -0.04 -0.07 -0.01 -0.04 6.97 6.80 2z5yA1 GLN 425 HE22 -0.01 0.04 0.05 -0.04 7.69 7.73 2z5yA1 PRO 426 HA -0.02 0.19 0.63 -0.51 4.44 4.73 2z5yA1 PRO 426 HB2 -0.19 -0.03 -0.03 -0.04 2.28 1.98 2z5yA1 PRO 426 HB3 -0.99 0.08 0.00 -0.04 2.02 1.07 2z5yA1 PRO 426 HG2 0.14 -0.01 0.10 -0.04 2.03 2.22 2z5yA1 PRO 426 HG3 0.24 0.03 0.12 -0.04 2.03 2.37 2z5yA1 PRO 426 HD2 0.09 0.01 0.25 -0.04 3.68 3.99 2z5yA1 PRO 426 HD3 0.18 0.23 0.31 -0.04 3.65 4.33 2z5yA1 VAL 427 H -0.06 0.69 0.13 -0.55 8.24 8.46 2z5yA1 VAL 427 HA -0.05 0.07 0.71 -0.75 4.13 4.11 2z5yA1 VAL 427 HB 0.04 -0.03 0.18 -0.04 2.12 2.27 2z5yA1 VAL 427 HG13 -0.07 -0.02 -0.01 -0.04 0.97 0.82 2z5yA1 VAL 427 HG23 -0.04 0.04 -0.10 -0.04 0.95 0.81 2z5yA1 GLY 428 H -0.06 0.16 -0.03 -0.55 8.43 7.96 2z5yA1 GLY 428 HA2 -0.03 0.03 0.34 -0.51 4.01 3.84 2z5yA1 GLY 428 HA3 -0.04 0.03 0.50 -0.51 4.01 3.98 2z5yA1 ARG 429 H -0.05 0.16 0.26 -0.55 8.46 8.28 2z5yA1 ARG 429 HA 0.08 0.21 0.89 -0.75 4.34 4.76 2z5yA1 ARG 429 HB2 -0.08 0.02 0.20 -0.04 1.90 2.00 2z5yA1 ARG 429 HB3 -0.12 0.06 0.39 -0.04 1.80 2.09 2z5yA1 ARG 429 HG2 0.12 0.02 0.03 -0.04 1.67 1.80 2z5yA1 ARG 429 HG3 -0.02 -0.12 -0.14 -0.04 1.67 1.34 2z5yA1 ARG 429 HD2 -0.21 0.04 0.12 -0.04 3.22 3.13 2z5yA1 ARG 429 HD3 -0.76 0.12 0.14 -0.04 3.22 2.67 2z5yA1 ILE 430 H -0.16 0.63 -0.02 -0.55 8.25 8.15 2z5yA1 ILE 430 HA -0.07 0.17 1.04 -0.75 4.18 4.57 2z5yA1 ILE 430 HB -0.17 -0.00 0.18 -0.04 1.89 1.85 2z5yA1 ILE 430 HG12 0.03 -0.03 -0.04 -0.04 1.49 1.40 2z5yA1 ILE 430 HG13 -0.02 -0.04 0.01 -0.04 1.21 1.12 2z5yA1 ILE 430 HG23 -0.49 -0.01 -0.12 -0.04 0.93 0.27 2z5yA1 ILE 430 HD13 0.09 -0.01 -0.06 -0.04 0.88 0.87 2z5yA1 PHE 431 H 0.05 0.73 0.33 -0.55 8.34 8.89 2z5yA1 PHE 431 HA 0.06 0.16 0.80 -0.75 4.62 4.87 2z5yA1 PHE 431 HB2 -0.05 -0.02 0.10 -0.04 3.15 3.13 2z5yA1 PHE 431 HB3 -0.01 0.00 0.05 -0.04 3.06 3.06 2z5yA1 PHE 431 HD2 0.06 0.09 -0.05 -0.04 7.28 7.34 2z5yA1 PHE 431 HE2 0.25 0.01 -0.04 -0.04 7.38 7.56 2z5yA1 PHE 431 HZ 0.14 0.02 -0.03 -0.04 7.32 7.40 2z5yA1 PHE 432 H 0.35 0.31 0.12 -0.55 8.34 8.57 2z5yA1 PHE 432 HA 0.08 0.15 1.22 -0.75 4.62 5.31 2z5yA1 PHE 432 HB2 0.06 0.05 0.06 -0.04 3.15 3.27 2z5yA1 PHE 432 HB3 0.06 0.08 0.05 -0.04 3.06 3.20 2z5yA1 PHE 432 HD2 -0.01 0.02 -0.17 -0.04 7.28 7.08 2z5yA1 PHE 432 HE2 -0.13 -0.04 -0.09 -0.04 7.38 7.09 2z5yA1 PHE 432 HZ -0.35 -0.05 -0.09 -0.04 7.32 6.79 2z5yA1 ALA 433 H 0.15 0.99 0.35 -0.55 8.40 9.34 2z5yA1 ALA 433 HA 0.13 0.19 0.69 -0.75 4.34 4.60 2z5yA1 ALA 433 HB3 0.06 -0.07 -0.18 -0.04 1.41 1.18 2z5yA1 GLY 434 H 0.09 0.04 -0.04 -0.55 8.43 7.98 2z5yA1 GLY 434 HA2 0.10 -0.10 0.34 -0.51 4.01 3.83 2z5yA1 GLY 434 HA3 0.13 0.32 0.71 -0.51 4.01 4.66 2z5yA1 THR 435 H 0.13 0.11 0.09 -0.55 8.28 8.05 2z5yA1 THR 435 HA 0.19 0.15 0.04 -0.75 4.39 4.02 2z5yA1 THR 435 HB 0.14 -0.03 0.10 -0.04 4.32 4.49 2z5yA1 THR 435 HG23 0.18 0.07 -0.07 -0.04 1.22 1.35 2z5yA1 GLU 436 H 0.20 0.06 -0.28 -0.55 8.60 8.03 2z5yA1 GLU 436 HA 0.37 0.06 0.39 -0.75 4.29 4.35 2z5yA1 GLU 436 HB2 0.16 0.08 -0.02 -0.04 2.09 2.28 2z5yA1 GLU 436 HB3 0.22 0.10 0.06 -0.04 1.99 2.32 2z5yA1 GLU 436 HG2 0.12 0.07 0.08 -0.04 2.34 2.57 2z5yA1 GLU 436 HG3 0.26 -0.01 0.05 -0.04 2.34 2.60 2z5yA1 THR 437 H 0.22 0.42 -0.57 -0.55 8.28 7.80 2z5yA1 THR 437 HA 0.26 0.23 0.85 -0.75 4.39 4.98 2z5yA1 THR 437 HB 0.23 -0.02 0.01 -0.04 4.32 4.50 2z5yA1 THR 437 HG23 0.19 -0.00 -0.26 -0.04 1.22 1.10 2z5yA1 ALA 438 H 0.31 0.38 -0.25 -0.55 8.40 8.28 2z5yA1 ALA 438 HA 0.29 0.06 0.43 -0.75 4.34 4.37 2z5yA1 ALA 438 HB3 0.24 -0.01 0.11 -0.04 1.41 1.72 2z5yA1 THR 439 H 0.30 0.05 0.14 -0.55 8.28 8.22 2z5yA1 THR 439 HA 0.47 0.33 0.85 -0.75 4.39 5.28 2z5yA1 THR 439 HB 0.16 -0.04 -0.00 -0.04 4.32 4.39 2z5yA1 THR 439 HG23 0.24 0.05 -0.11 -0.04 1.22 1.35 2z5yA1 LYS 440 H 0.16 0.06 0.00 -0.55 8.42 8.09 2z5yA1 LYS 440 HA -0.22 0.35 0.83 -0.75 4.32 4.52 2z5yA1 LYS 440 HB2 0.04 0.06 -0.16 -0.04 1.87 1.76 2z5yA1 LYS 440 HB3 0.12 -0.11 0.08 -0.04 1.79 1.84 2z5yA1 LYS 440 HG2 0.04 0.02 -0.04 -0.04 1.46 1.44 2z5yA1 LYS 440 HG3 -0.11 0.09 0.08 -0.04 1.46 1.48 2z5yA1 LYS 440 HD2 0.08 -0.01 0.02 -0.04 1.69 1.74 2z5yA1 LYS 440 HD3 0.17 -0.14 0.02 -0.04 1.68 1.69 2z5yA1 LYS 440 HE2 0.34 0.11 0.07 -0.04 2.99 3.47 2z5yA1 LYS 440 HE3 0.07 0.01 0.04 -0.04 2.99 3.06 2z5yA1 TRP 441 H -0.60 0.77 0.15 -0.55 7.97 7.74 2z5yA1 TRP 441 HA -0.37 0.20 0.23 -0.75 4.62 3.92 2z5yA1 TRP 441 HB2 -0.11 -0.04 -0.02 -0.04 3.23 3.03 2z5yA1 TRP 441 HB3 -0.31 -0.15 0.19 -0.04 3.23 2.92 2z5yA1 TRP 441 HD1 -0.14 -0.05 -0.19 -0.04 7.22 6.80 2z5yA1 TRP 441 HE1 -0.16 0.04 -0.23 -0.04 10.20 9.80 2z5yA1 TRP 441 HE3 -2.49 -0.06 0.01 -0.04 7.59 5.00 2z5yA1 TRP 441 HZ2 -0.18 0.06 -0.07 -0.04 7.44 7.21 2z5yA1 TRP 441 HZ3 -0.50 0.03 0.04 -0.04 7.13 6.66 2z5yA1 TRP 441 HH2 -0.20 0.08 -0.12 -0.04 7.19 6.91 2z5yA1 SER 442 H -0.02 0.13 -0.58 -0.55 8.46 7.44 2z5yA1 SER 442 HA 0.30 0.01 0.55 -0.75 4.49 4.60 2z5yA1 SER 442 HB2 0.41 0.16 -0.22 -0.04 3.95 4.26 2z5yA1 SER 442 HB3 0.24 -0.00 -0.07 -0.04 3.93 4.05 2z5yA1 GLY 443 H 0.32 0.02 0.06 -0.55 8.43 8.29 2z5yA1 GLY 443 HA2 0.31 -0.05 0.19 -0.51 4.01 3.96 2z5yA1 GLY 443 HA3 0.47 0.30 0.70 -0.51 4.01 4.97 2z5yA1 TYR 444 H 0.41 0.29 0.08 -0.55 8.29 8.51 2z5yA1 TYR 444 HA 0.06 0.25 0.83 -0.75 4.56 4.95 2z5yA1 TYR 444 HB2 0.22 0.24 0.19 -0.04 3.06 3.67 2z5yA1 TYR 444 HB3 0.00 -0.18 0.18 -0.04 2.98 2.94 2z5yA1 TYR 444 HD2 0.06 0.02 -0.27 -0.04 7.15 6.92 2z5yA1 TYR 444 HE2 0.05 0.08 -0.05 -0.04 6.85 6.89 2z5yA1 MET 445 H 0.11 0.29 0.19 -0.55 8.47 8.51 2z5yA1 MET 445 HA 0.08 -0.00 0.60 -0.75 4.52 4.45 2z5yA1 MET 445 HB2 0.07 0.08 0.07 -0.04 2.15 2.34 2z5yA1 MET 445 HB3 0.08 0.02 -0.01 -0.04 2.03 2.08 2z5yA1 MET 445 HG2 0.05 -0.06 0.05 -0.04 2.63 2.63 2z5yA1 MET 445 HG3 0.03 0.01 0.08 -0.04 2.56 2.64 2z5yA1 MET 445 HE3 0.05 -0.01 -0.28 -0.04 2.10 1.82 2z5yA1 GLU 446 H 0.07 0.19 -0.09 -0.55 8.60 8.22 2z5yA1 GLU 446 HA 0.03 -0.03 0.57 -0.75 4.29 4.11 2z5yA1 GLU 446 HB2 -0.23 -0.01 0.14 -0.04 2.09 1.96 2z5yA1 GLU 446 HB3 -0.03 0.09 0.13 -0.04 1.99 2.14 2z5yA1 GLU 446 HG2 0.15 0.14 -0.08 -0.04 2.34 2.51 2z5yA1 GLU 446 HG3 0.18 0.17 -0.42 -0.04 2.34 2.24 2z5yA1 GLY 447 H 0.26 0.26 -0.10 -0.55 8.43 8.31 2z5yA1 GLY 447 HA2 0.20 0.13 0.37 -0.51 4.01 4.19 2z5yA1 GLY 447 HA3 0.25 0.11 0.22 -0.51 4.01 4.08 2z5yA1 ALA 448 H 0.15 0.48 -0.17 -0.55 8.40 8.31 2z5yA1 ALA 448 HA 0.12 -0.05 0.32 -0.75 4.34 3.96 2z5yA1 ALA 448 HB3 0.08 -0.00 0.10 -0.04 1.41 1.55 2z5yA1 VAL 449 H 0.08 0.41 -0.34 -0.55 8.24 7.84 2z5yA1 VAL 449 HA 0.03 0.07 0.26 -0.75 4.13 3.74 2z5yA1 VAL 449 HB 0.05 0.08 0.05 -0.04 2.12 2.26 2z5yA1 VAL 449 HG13 0.02 0.02 -0.17 -0.04 0.97 0.81 2z5yA1 VAL 449 HG23 0.03 0.07 -0.05 -0.04 0.95 0.96 2z5yA1 GLU 450 H 0.10 0.38 -0.13 -0.55 8.60 8.40 2z5yA1 GLU 450 HA 0.06 0.07 0.33 -0.75 4.29 3.99 2z5yA1 GLU 450 HB2 0.13 0.02 0.13 -0.04 2.09 2.34 2z5yA1 GLU 450 HB3 0.15 0.04 0.19 -0.04 1.99 2.33 2z5yA1 GLU 450 HG2 0.13 0.05 -0.07 -0.04 2.34 2.40 2z5yA1 GLU 450 HG3 0.16 0.02 0.04 -0.04 2.34 2.52 2z5yA1 ALA 451 H 0.11 0.58 -0.14 -0.55 8.40 8.40 2z5yA1 ALA 451 HA 0.06 0.13 0.26 -0.75 4.34 4.03 2z5yA1 ALA 451 HB3 0.14 -0.04 -0.10 -0.04 1.41 1.37 2z5yA1 GLY 452 H 0.04 0.39 -0.29 -0.55 8.43 8.03 2z5yA1 GLY 452 HA2 0.01 -0.04 0.39 -0.51 4.01 3.85 2z5yA1 GLY 452 HA3 0.01 0.17 0.37 -0.51 4.01 4.05 2z5yA1 GLU 453 H -0.02 0.62 -0.15 -0.55 8.60 8.52 2z5yA1 GLU 453 HA -0.07 0.03 0.41 -0.75 4.29 3.91 2z5yA1 GLU 453 HB2 -0.03 0.08 0.10 -0.04 2.09 2.20 2z5yA1 GLU 453 HB3 -0.04 -0.01 0.05 -0.04 1.99 1.95 2z5yA1 GLU 453 HG2 -0.01 0.04 -0.07 -0.04 2.34 2.25 2z5yA1 GLU 453 HG3 -0.00 0.15 0.05 -0.04 2.34 2.49 2z5yA1 ARG 454 H -0.13 0.34 -0.26 -0.55 8.46 7.86 2z5yA1 ARG 454 HA -0.35 0.23 0.56 -0.75 4.34 4.02 2z5yA1 ARG 454 HB2 -0.49 -0.03 0.11 -0.04 1.90 1.45 2z5yA1 ARG 454 HB3 -0.33 0.02 0.14 -0.04 1.80 1.59 2z5yA1 ARG 454 HG2 -0.83 -0.05 -0.13 -0.04 1.67 0.61 2z5yA1 ARG 454 HG3 -2.30 -0.03 -0.06 -0.04 1.67 -0.76 2z5yA1 ARG 454 HD2 -1.26 -0.03 -0.06 -0.04 3.22 1.83 2z5yA1 ARG 454 HD3 -0.47 -0.04 -0.04 -0.04 3.22 2.63 2z5yA1 ALA 455 H -0.12 0.54 -0.08 -0.55 8.40 8.19 2z5yA1 ALA 455 HA -0.09 0.05 0.52 -0.75 4.34 4.08 2z5yA1 ALA 455 HB3 0.01 0.05 -0.06 -0.04 1.41 1.37 2z5yA1 ALA 456 H -0.13 0.48 -0.16 -0.55 8.40 8.05 2z5yA1 ALA 456 HA -0.19 -0.01 0.28 -0.75 4.34 3.67 2z5yA1 ALA 456 HB3 -0.12 0.01 0.12 -0.04 1.41 1.38 2z5yA1 ARG 457 H -0.23 0.48 -0.37 -0.55 8.46 7.79 2z5yA1 ARG 457 HA -0.30 -0.06 0.23 -0.75 4.34 3.45 2z5yA1 ARG 457 HB2 -0.26 0.20 0.28 -0.04 1.90 2.08 2z5yA1 ARG 457 HB3 -0.21 -0.10 0.03 -0.04 1.80 1.48 2z5yA1 ARG 457 HG2 -0.20 -0.11 -0.04 -0.04 1.67 1.27 2z5yA1 ARG 457 HG3 -0.16 0.05 0.07 -0.04 1.67 1.58 2z5yA1 ARG 457 HD2 -0.12 0.12 0.04 -0.04 3.22 3.22 2z5yA1 ARG 457 HD3 -0.08 0.24 0.01 -0.04 3.22 3.35 2z5yA1 GLU 458 H -0.31 0.48 -0.24 -0.55 8.60 7.98 2z5yA1 GLU 458 HA -0.24 -0.01 0.46 -0.75 4.29 3.75 2z5yA1 GLU 458 HB2 -0.39 0.08 0.20 -0.04 2.09 1.94 2z5yA1 GLU 458 HB3 -0.40 -0.05 -0.00 -0.04 1.99 1.50 2z5yA1 GLU 458 HG2 -0.04 -0.08 0.05 -0.04 2.34 2.23 2z5yA1 GLU 458 HG3 -0.24 0.30 0.10 -0.04 2.34 2.46 2z5yA1 VAL 459 H -0.60 0.63 -0.13 -0.55 8.24 7.58 2z5yA1 VAL 459 HA -1.02 0.05 0.60 -0.75 4.13 3.01 2z5yA1 VAL 459 HB -0.41 0.15 0.10 -0.04 2.12 1.92 2z5yA1 VAL 459 HG13 -0.61 -0.02 -0.25 -0.04 0.97 0.05 2z5yA1 VAL 459 HG23 -0.46 -0.00 -0.08 -0.04 0.95 0.37 2z5yA1 LEU 460 H -0.39 0.76 -0.01 -0.55 8.37 8.19 2z5yA1 LEU 460 HA -0.31 0.04 0.38 -0.75 4.35 3.71 2z5yA1 LEU 460 HB2 -0.39 0.07 0.01 -0.04 1.64 1.30 2z5yA1 LEU 460 HB3 -0.45 -0.08 -0.16 -0.04 1.64 0.91 2z5yA1 LEU 460 HG -0.35 0.06 -0.07 -0.04 1.64 1.24 2z5yA1 LEU 460 HD13 -0.74 -0.01 -0.25 -0.04 0.93 -0.11 2z5yA1 LEU 460 HD23 -0.36 0.00 -0.06 -0.04 0.89 0.43 2z5yA1 ASN 461 H -0.28 0.71 -0.27 -0.55 8.53 8.14 2z5yA1 ASN 461 HA -0.11 -0.01 0.54 -0.75 4.76 4.43 2z5yA1 ASN 461 HB2 -0.12 0.01 -0.04 -0.04 2.88 2.69 2z5yA1 ASN 461 HB3 -0.15 0.20 0.11 -0.04 2.79 2.90 2z5yA1 ASN 461 HD21 0.01 -0.19 -0.01 -0.04 7.03 6.79 2z5yA1 ASN 461 HD22 -0.03 0.45 -0.07 -0.04 7.74 8.05 2z5yA1 GLY 462 H -0.32 0.31 -0.35 -0.55 8.43 7.51 2z5yA1 GLY 462 HA2 0.03 0.02 0.60 -0.51 4.01 4.15 2z5yA1 GLY 462 HA3 -0.11 0.04 0.35 -0.51 4.01 3.79 2z5yA1 LEU 463 H -0.25 0.43 -0.15 -0.55 8.37 7.85 2z5yA1 LEU 463 HA 0.04 0.05 0.38 -0.75 4.35 4.07 2z5yA1 LEU 463 HB2 -0.13 0.03 0.11 -0.04 1.64 1.61 2z5yA1 LEU 463 HB3 -0.02 -0.04 0.11 -0.04 1.64 1.65 2z5yA1 LEU 463 HG -0.37 0.21 0.02 -0.04 1.64 1.46 2z5yA1 LEU 463 HD13 -0.09 -0.03 -0.07 -0.04 0.93 0.70 2z5yA1 LEU 463 HD23 0.21 -0.01 -0.03 -0.04 0.89 1.01 2z5yA1 GLY 464 H -0.06 0.17 -0.90 -0.55 8.43 7.11 2z5yA1 GLY 464 HA2 -0.01 0.04 0.25 -0.51 4.01 3.78 2z5yA1 GLY 464 HA3 0.00 0.02 0.46 -0.51 4.01 3.98 2z5yA1 LYS 465 H -0.08 0.53 0.03 -0.55 8.42 8.34 2z5yA1 LYS 465 HA 0.02 0.18 0.75 -0.75 4.32 4.52 2z5yA1 LYS 465 HB2 -0.13 -0.05 -0.09 -0.04 1.87 1.56 2z5yA1 LYS 465 HB3 0.10 -0.01 0.05 -0.04 1.79 1.89 2z5yA1 LYS 465 HG2 0.00 0.09 -0.36 -0.04 1.46 1.16 2z5yA1 LYS 465 HG3 -0.06 0.00 -0.18 -0.04 1.46 1.17 2z5yA1 LYS 465 HD2 0.00 -0.05 -0.06 -0.04 1.69 1.55 2z5yA1 LYS 465 HD3 0.11 0.03 -0.01 -0.04 1.68 1.76 2z5yA1 LYS 465 HE2 0.02 0.07 -0.04 -0.04 2.99 3.00 2z5yA1 LYS 465 HE3 0.03 -0.03 -0.05 -0.04 2.99 2.91 2z5yA1 VAL 466 H -0.09 0.17 -0.13 -0.55 8.24 7.64 2z5yA1 VAL 466 HA -0.01 0.09 0.55 -0.75 4.13 4.01 2z5yA1 VAL 466 HB -0.23 -0.08 -0.24 -0.04 2.12 1.53 2z5yA1 VAL 466 HG13 -0.10 -0.02 -0.26 -0.04 0.97 0.55 2z5yA1 VAL 466 HG23 -0.10 0.04 -0.08 -0.04 0.95 0.77 2z5yA1 THR 467 H 0.00 0.11 0.05 -0.55 8.28 7.90 2z5yA1 THR 467 HA 0.01 0.17 0.46 -0.75 4.39 4.27 2z5yA1 THR 467 HB 0.03 -0.10 0.09 -0.04 4.32 4.30 2z5yA1 THR 467 HG23 0.02 0.04 -0.01 -0.04 1.22 1.24 2z5yA1 GLU 468 H 0.03 0.18 0.16 -0.55 8.60 8.42 2z5yA1 GLU 468 HA 0.05 0.17 0.54 -0.75 4.29 4.29 2z5yA1 GLU 468 HB2 0.05 0.07 0.16 -0.04 2.09 2.33 2z5yA1 GLU 468 HB3 0.05 -0.05 0.11 -0.04 1.99 2.06 2z5yA1 GLU 468 HG2 0.10 -0.01 -0.11 -0.04 2.34 2.28 2z5yA1 GLU 468 HG3 0.10 0.05 0.07 -0.04 2.34 2.52 2z5yA1 LYS 469 H 0.05 0.05 -0.18 -0.55 8.42 7.80 2z5yA1 LYS 469 HA 0.10 0.11 0.40 -0.75 4.32 4.18 2z5yA1 LYS 469 HB2 0.05 -0.01 0.07 -0.04 1.87 1.94 2z5yA1 LYS 469 HB3 0.05 -0.04 0.02 -0.04 1.79 1.78 2z5yA1 LYS 469 HG2 0.06 0.06 -0.11 -0.04 1.46 1.43 2z5yA1 LYS 469 HG3 0.06 0.01 0.05 -0.04 1.46 1.53 2z5yA1 LYS 469 HD2 0.04 -0.02 -0.04 -0.04 1.69 1.63 2z5yA1 LYS 469 HD3 0.04 0.01 -0.04 -0.04 1.68 1.65 2z5yA1 LYS 469 HE2 0.03 -0.02 -0.00 -0.04 2.99 2.96 2z5yA1 LYS 469 HE3 0.03 -0.00 -0.01 -0.04 2.99 2.96 2z5yA1 ASP 470 H 0.04 0.10 -0.51 -0.55 8.40 7.49 2z5yA1 ASP 470 HA 0.06 0.15 0.39 -0.75 4.63 4.48 2z5yA1 ASP 470 HB2 0.01 -0.08 0.05 -0.04 2.71 2.65 2z5yA1 ASP 470 HB3 0.01 0.05 0.01 -0.04 2.70 2.74 2z5yA1 ILE 471 H 0.05 0.31 -0.46 -0.55 8.25 7.60 2z5yA1 ILE 471 HA -0.16 0.02 0.33 -0.75 4.18 3.62 2z5yA1 ILE 471 HB 0.08 0.09 0.07 -0.04 1.89 2.08 2z5yA1 ILE 471 HG12 -0.16 0.00 -0.38 -0.04 1.49 0.92 2z5yA1 ILE 471 HG13 -0.07 0.04 -0.13 -0.04 1.21 1.01 2z5yA1 ILE 471 HG23 -0.54 -0.00 -0.13 -0.04 0.93 0.21 2z5yA1 ILE 471 HD13 0.02 -0.01 0.01 -0.04 0.88 0.86 2z5yA1 TRP 472 H 0.30 0.22 -0.28 -0.55 7.97 7.66 2z5yA1 TRP 472 HA 0.03 0.12 0.84 -0.75 4.62 4.86 2z5yA1 TRP 472 HB2 0.03 0.01 0.11 -0.04 3.23 3.34 2z5yA1 TRP 472 HB3 0.04 -0.03 -0.04 -0.04 3.23 3.15 2z5yA1 TRP 472 HD1 0.04 0.03 -0.04 -0.04 7.22 7.21 2z5yA1 TRP 472 HE1 0.06 0.02 -0.05 -0.04 10.20 10.18 2z5yA1 TRP 472 HE3 0.06 -0.02 -0.04 -0.04 7.59 7.55 2z5yA1 TRP 472 HZ2 0.10 0.03 -0.04 -0.04 7.44 7.49 2z5yA1 TRP 472 HZ3 0.10 -0.10 -0.04 -0.04 7.13 7.05 2z5yA1 TRP 472 HH2 0.12 0.08 -0.03 -0.04 7.19 7.32 2z5yA1 VAL 473 H 0.09 0.21 0.02 -0.55 8.24 8.01 2z5yA1 VAL 473 HA 0.10 0.14 0.77 -0.75 4.13 4.39 2z5yA1 VAL 473 HB 0.04 -0.05 -0.01 -0.04 2.12 2.07 2z5yA1 VAL 473 HG13 0.05 0.02 -0.12 -0.04 0.97 0.88 2z5yA1 VAL 473 HG23 0.03 0.03 -0.13 -0.04 0.95 0.83 2z5yA1 GLN 474 H 0.08 0.15 0.10 -0.55 8.47 8.25 2z5yA1 GLN 474 HA 0.09 0.06 0.61 -0.75 4.36 4.36 2z5yA1 GLN 474 HB2 0.06 -0.00 0.12 -0.04 2.15 2.28 2z5yA1 GLN 474 HB3 0.05 0.01 -0.17 -0.04 2.02 1.86 2z5yA1 GLN 474 HG2 0.06 0.01 -0.01 -0.04 2.40 2.42 2z5yA1 GLN 474 HG3 0.05 0.02 -0.02 -0.04 2.39 2.40 2z5yA1 GLN 474 HE21 0.02 -0.02 -0.05 -0.04 6.97 6.87 2z5yA1 GLN 474 HE22 0.03 -0.00 -0.05 -0.04 7.69 7.62 2z5yA1 GLU 475 H 0.07 0.10 0.09 -0.55 8.60 8.31 2z5yA1 GLU 475 HA 0.04 0.23 0.73 -0.75 4.29 4.54 2z5yA1 GLU 475 HB2 0.06 0.00 0.01 -0.04 2.09 2.12 2z5yA1 GLU 475 HB3 0.05 -0.10 0.04 -0.04 1.99 1.93 2z5yA1 GLU 475 HG2 0.03 -0.27 -0.41 -0.04 2.34 1.64 2z5yA1 GLU 475 HG3 0.03 0.30 -0.22 -0.04 2.34 2.41 2z5yA1 PRO 476 HA 0.02 0.01 0.46 -0.51 4.44 4.43 2z5yA1 PRO 476 HB2 0.02 0.04 -0.09 -0.04 2.28 2.20 2z5yA1 PRO 476 HB3 0.02 0.02 0.06 -0.04 2.02 2.07 2z5yA1 PRO 476 HG2 0.02 0.02 0.04 -0.04 2.03 2.07 2z5yA1 PRO 476 HG3 0.02 0.05 0.05 -0.04 2.03 2.12 2z5yA1 PRO 476 HD2 0.03 0.02 0.16 -0.04 3.68 3.85 2z5yA1 PRO 476 HD3 0.03 0.36 0.25 -0.04 3.65 4.25 2z5yA1 GLU 477 H 0.02 0.08 0.13 -0.55 8.60 8.29 2z5yA1 GLU 477 HA 0.02 -0.02 0.37 -0.75 4.29 3.91 2z5yA1 GLU 477 HB2 0.02 0.02 0.12 -0.04 2.09 2.21 2z5yA1 GLU 477 HB3 0.01 0.00 0.05 -0.04 1.99 2.01 2z5yA1 GLU 477 HG2 0.01 0.31 -0.29 -0.04 2.34 2.33 2z5yA1 GLU 477 HG3 0.01 -0.12 0.10 -0.04 2.34 2.29 2z5yA1 SER 478 H 0.01 0.03 0.11 -0.55 8.46 8.06 2z5yA1 SER 478 HA 0.01 0.11 0.40 -0.75 4.49 4.25 2z5yA1 SER 478 HB2 -0.00 0.06 0.03 -0.04 3.95 4.00 2z5yA1 SER 478 HB3 -0.01 0.10 0.01 -0.04 3.93 3.99 2z5yA1 LYS 479 H 0.01 0.16 0.12 -0.55 8.42 8.15 2z5yA1 LYS 479 HA 0.00 0.17 0.57 -0.75 4.32 4.30 2z5yA1 LYS 479 HB2 0.01 -0.00 0.11 -0.04 1.87 1.94 2z5yA1 LYS 479 HB3 0.00 0.03 -0.04 -0.04 1.79 1.74 2z5yA1 LYS 479 HG2 0.00 0.00 0.02 -0.04 1.46 1.44 2z5yA1 LYS 479 HG3 0.00 0.03 -0.03 -0.04 1.46 1.42 2z5yA1 LYS 479 HD2 0.01 0.02 -0.01 -0.04 1.69 1.67 2z5yA1 LYS 479 HD3 0.01 -0.00 -0.01 -0.04 1.68 1.63 2z5yA1 LYS 479 HE2 0.01 -0.02 -0.02 -0.04 2.99 2.91 2z5yA1 LYS 479 HE3 0.01 0.03 -0.06 -0.04 2.99 2.92 2z5yA1 ASP 480 H 0.00 0.01 -0.13 -0.55 8.40 7.73 2z5yA1 ASP 480 HA 0.00 0.16 0.44 -0.75 4.63 4.48 2z5yA1 ASP 480 HB2 0.01 -0.03 -0.03 -0.04 2.71 2.62 2z5yA1 ASP 480 HB3 0.01 0.04 0.01 -0.04 2.70 2.73 2z5yA1 VAL 481 H -0.01 -0.03 -0.50 -0.55 8.24 7.16 2z5yA1 VAL 481 HA -0.02 0.24 0.71 -0.75 4.13 4.30 2z5yA1 VAL 481 HB -0.04 -0.11 -0.01 -0.04 2.12 1.93 2z5yA1 VAL 481 HG13 -0.06 -0.01 -0.15 -0.04 0.97 0.71 2z5yA1 VAL 481 HG23 -0.03 -0.00 -0.29 -0.04 0.95 0.59 2z5yA1 PRO 482 HA -0.00 0.10 0.50 -0.51 4.44 4.52 2z5yA1 PRO 482 HB2 -0.00 -0.00 -0.20 -0.04 2.28 2.04 2z5yA1 PRO 482 HB3 -0.00 0.09 0.01 -0.04 2.02 2.07 2z5yA1 PRO 482 HG2 -0.01 -0.03 -0.05 -0.04 2.03 1.90 2z5yA1 PRO 482 HG3 -0.00 0.07 -0.05 -0.04 2.03 2.00 2z5yA1 PRO 482 HD2 -0.01 0.19 -0.17 -0.04 3.68 3.65 2z5yA1 PRO 482 HD3 -0.00 0.27 -0.53 -0.04 3.65 3.35 2z5yA1 ALA 483 H 0.00 0.14 0.10 -0.55 8.40 8.10 2z5yA1 ALA 483 HA 0.00 0.12 0.50 -0.75 4.34 4.21 2z5yA1 ALA 483 HB3 0.02 -0.01 0.06 -0.04 1.41 1.44 2z5yA1 VAL 484 H -0.00 0.26 0.11 -0.55 8.24 8.05 2z5yA1 VAL 484 HA -0.00 -0.01 0.72 -0.75 4.13 4.09 2z5yA1 VAL 484 HB -0.00 0.00 0.15 -0.04 2.12 2.23 2z5yA1 VAL 484 HG13 -0.00 0.01 -0.05 -0.04 0.97 0.88 2z5yA1 VAL 484 HG23 -0.00 0.00 -0.02 -0.04 0.95 0.89 2z5yA1 GLU 485 H -0.00 0.09 0.15 -0.55 8.60 8.29 2z5yA1 GLU 485 HA -0.01 0.04 0.42 -0.75 4.29 3.99 2z5yA1 GLU 485 HB2 -0.00 -0.04 0.11 -0.04 2.09 2.11 2z5yA1 GLU 485 HB3 -0.01 0.03 -0.19 -0.04 1.99 1.77 2z5yA1 GLU 485 HG2 -0.00 0.03 0.06 -0.04 2.34 2.39 2z5yA1 GLU 485 HG3 -0.00 -0.01 0.04 -0.04 2.34 2.32 2z5yA1 ILE 486 H -0.02 0.13 0.15 -0.55 8.25 7.96 2z5yA1 ILE 486 HA -0.07 0.13 0.70 -0.75 4.18 4.18 2z5yA1 ILE 486 HB -0.03 0.03 0.15 -0.04 1.89 2.00 2z5yA1 ILE 486 HG12 -0.04 -0.06 -0.03 -0.04 1.49 1.31 2z5yA1 ILE 486 HG13 -0.02 0.13 -0.17 -0.04 1.21 1.10 2z5yA1 ILE 486 HG23 -0.18 -0.03 -0.14 -0.04 0.93 0.54 2z5yA1 ILE 486 HD13 0.01 0.01 -0.00 -0.04 0.88 0.85 2z5yA1 THR 487 H -0.13 0.19 0.20 -0.55 8.28 7.99 2z5yA1 THR 487 HA -0.07 0.16 0.71 -0.75 4.39 4.43 2z5yA1 THR 487 HB -0.02 -0.04 -0.12 -0.04 4.32 4.10 2z5yA1 THR 487 HG23 -0.01 0.04 -0.12 -0.04 1.22 1.08 2z5yA1 HIS 488 H 0.05 0.26 0.14 -0.55 8.41 8.31 2z5yA1 HIS 488 HA 0.04 0.14 0.66 -0.75 4.63 4.72 2z5yA1 HIS 488 HB2 -0.00 0.04 0.06 -0.04 3.26 3.31 2z5yA1 HIS 488 HB3 0.02 -0.05 0.04 -0.04 3.20 3.16 2z5yA1 HIS 488 HD2 -0.01 0.04 -0.12 -0.04 6.97 6.84 2z5yA1 HIS 488 HE1 -0.02 -0.10 -0.06 -0.04 7.75 7.53 2z5yA1 THR 489 H 0.13 0.15 0.06 -0.55 8.28 8.07 2z5yA1 THR 489 HA 0.12 0.12 0.45 -0.75 4.39 4.32 2z5yA1 THR 489 HB 0.24 -0.00 0.14 -0.04 4.32 4.65 2z5yA1 THR 489 HG23 0.13 0.05 0.07 -0.04 1.22 1.43 2z5yA1 PHE 490 H 0.16 0.18 0.19 -0.55 8.34 8.31 2z5yA1 PHE 490 HA -0.11 0.15 0.46 -0.75 4.62 4.38 2z5yA1 PHE 490 HB2 -0.21 0.06 0.15 -0.04 3.15 3.11 2z5yA1 PHE 490 HB3 -0.44 -0.07 0.13 -0.04 3.06 2.65 2z5yA1 PHE 490 HD2 -1.07 -0.02 -0.07 -0.04 7.28 6.08 2z5yA1 PHE 490 HE2 -0.72 0.02 -0.05 -0.04 7.38 6.59 2z5yA1 PHE 490 HZ -0.29 0.03 -0.05 -0.04 7.32 6.98 2z5yA1 TRP 491 H 0.17 0.04 -0.23 -0.55 7.97 7.40 2z5yA1 TRP 491 HA -0.18 0.12 0.46 -0.75 4.62 4.26 2z5yA1 TRP 491 HB2 0.07 -0.04 0.00 -0.04 3.23 3.22 2z5yA1 TRP 491 HB3 0.05 0.06 -0.03 -0.04 3.23 3.28 2z5yA1 TRP 491 HD1 0.11 -0.03 0.02 -0.04 7.22 7.28 2z5yA1 TRP 491 HE1 0.08 0.03 0.00 -0.04 10.20 10.28 2z5yA1 TRP 491 HE3 0.03 -0.02 0.00 -0.04 7.59 7.57 2z5yA1 TRP 491 HZ2 0.07 0.02 -0.01 -0.04 7.44 7.47 2z5yA1 TRP 491 HZ3 0.11 0.03 -0.03 -0.04 7.13 7.19 2z5yA1 TRP 491 HH2 0.10 0.02 -0.02 -0.04 7.19 7.26 2z5yA1 GLU 492 H 0.20 0.01 -0.24 -0.55 8.60 8.02 2z5yA1 GLU 492 HA 0.09 0.07 0.53 -0.75 4.29 4.23 2z5yA1 GLU 492 HB2 0.15 0.01 0.06 -0.04 2.09 2.26 2z5yA1 GLU 492 HB3 0.06 0.07 -0.06 -0.04 1.99 2.02 2z5yA1 GLU 492 HG2 0.11 0.05 0.04 -0.04 2.34 2.51 2z5yA1 GLU 492 HG3 0.19 -0.04 0.02 -0.04 2.34 2.48 2z5yA1 ARG 493 H -0.05 0.48 -0.19 -0.55 8.46 8.16 2z5yA1 ARG 493 HA -0.11 0.01 0.38 -0.75 4.34 3.87 2z5yA1 ARG 493 HB2 -0.21 0.11 0.13 -0.04 1.90 1.90 2z5yA1 ARG 493 HB3 -0.15 -0.02 -0.03 -0.04 1.80 1.56 2z5yA1 ARG 493 HG2 -0.05 -0.03 0.02 -0.04 1.67 1.57 2z5yA1 ARG 493 HG3 0.01 0.05 -0.05 -0.04 1.67 1.64 2z5yA1 ARG 493 HD2 -0.03 -0.01 0.00 -0.04 3.22 3.14 2z5yA1 ARG 493 HD3 0.01 -0.03 0.01 -0.04 3.22 3.17 2z5yA1 ASN 494 H -0.26 0.07 -0.35 -0.55 8.53 7.45 2z5yA1 ASN 494 HA -0.19 0.21 0.64 -0.75 4.76 4.66 2z5yA1 ASN 494 HB2 -1.06 0.05 0.04 -0.04 2.88 1.87 2z5yA1 ASN 494 HB3 -0.37 -0.06 -0.01 -0.04 2.79 2.30 2z5yA1 ASN 494 HD21 -0.31 -0.05 -0.03 -0.04 7.03 6.61 2z5yA1 ASN 494 HD22 -1.39 0.21 0.08 -0.04 7.74 6.60 2z5yA1 LEU 495 H 0.04 0.50 0.09 -0.55 8.37 8.46 2z5yA1 LEU 495 HA 0.12 -0.01 0.52 -0.75 4.35 4.22 2z5yA1 LEU 495 HB2 0.11 0.08 0.13 -0.04 1.64 1.92 2z5yA1 LEU 495 HB3 0.10 0.02 0.01 -0.04 1.64 1.72 2z5yA1 LEU 495 HG 0.46 -0.03 0.14 -0.04 1.64 2.18 2z5yA1 LEU 495 HD13 0.24 -0.03 -0.05 -0.04 0.93 1.05 2z5yA1 LEU 495 HD23 0.15 -0.01 0.04 -0.04 0.89 1.03 2z5yA1 PRO 496 HA -0.04 0.13 0.58 -0.51 4.44 4.60 2z5yA1 PRO 496 HB2 -0.03 -0.16 -0.05 -0.04 2.28 2.00 2z5yA1 PRO 496 HB3 -0.02 0.08 0.03 -0.04 2.02 2.07 2z5yA1 PRO 496 HG2 -0.00 0.01 0.05 -0.04 2.03 2.04 2z5yA1 PRO 496 HG3 0.01 0.01 0.02 -0.04 2.03 2.03 2z5yA1 PRO 496 HD2 0.06 0.02 0.23 -0.04 3.68 3.95 2z5yA1 PRO 496 HD3 0.05 0.17 0.23 -0.04 3.65 4.06 2z5yA1 SER 497 H -0.06 0.12 0.17 -0.55 8.46 8.14 2z5yA1 SER 497 HA -0.08 0.22 0.49 -0.75 4.49 4.36 2z5yA1 SER 497 HB2 -0.07 -0.02 0.20 -0.04 3.95 4.01 2z5yA1 SER 497 HB3 -0.08 0.19 0.17 -0.04 3.93 4.17 2z5yA1 VAL 498 H -0.05 0.20 0.14 -0.55 8.24 7.99 2z5yA1 VAL 498 HA -0.06 0.13 0.45 -0.75 4.13 3.89 2z5yA1 VAL 498 HB -0.00 0.00 0.22 -0.04 2.12 2.29 2z5yA1 VAL 498 HG13 -0.27 0.02 -0.06 -0.04 0.97 0.62 2z5yA1 VAL 498 HG23 0.07 -0.01 0.09 -0.04 0.95 1.06 2z5yA1 SER 499 H -0.06 0.15 -0.01 -0.55 8.46 7.99 2z5yA1 SER 499 HA -0.10 0.08 0.32 -0.75 4.49 4.03 2z5yA1 SER 499 HB2 -0.05 0.06 0.06 -0.04 3.95 3.97 2z5yA1 SER 499 HB3 -0.06 0.05 0.08 -0.04 3.93 3.96 2z5yA1 GLY 500 H -0.06 -0.02 -0.49 -0.55 8.43 7.32 2z5yA1 GLY 500 HA2 -0.05 0.08 0.49 -0.51 4.01 4.02 2z5yA1 GLY 500 HA3 -0.05 0.03 0.27 -0.51 4.01 3.74 2z5yA1 LEU 501 H -0.05 0.70 -0.10 -0.55 8.37 8.38 2z5yA1 LEU 501 HA -0.02 0.01 0.51 -0.75 4.35 4.09 2z5yA1 LEU 501 HB2 -0.04 0.11 0.14 -0.04 1.64 1.81 2z5yA1 LEU 501 HB3 -0.07 0.19 0.20 -0.04 1.64 1.92 2z5yA1 LEU 501 HG -0.04 -0.05 -0.11 -0.04 1.64 1.40 2z5yA1 LEU 501 HD13 -0.01 -0.01 0.08 -0.04 0.93 0.95 2z5yA1 LEU 501 HD23 -0.05 -0.01 0.01 -0.04 0.89 0.80 2z5yA1 LEU 502 H -0.07 0.39 -0.30 -0.55 8.37 7.84 2z5yA1 LEU 502 HA -0.05 0.00 0.41 -0.75 4.35 3.96 2z5yA1 LEU 502 HB2 -0.07 0.22 0.13 -0.04 1.64 1.88 2z5yA1 LEU 502 HB3 -0.07 -0.02 -0.01 -0.04 1.64 1.50 2z5yA1 LEU 502 HG -0.15 0.10 -0.03 -0.04 1.64 1.52 2z5yA1 LEU 502 HD13 -0.16 -0.01 -0.03 -0.04 0.93 0.68 2z5yA1 LEU 502 HD23 -0.14 -0.01 -0.03 -0.04 0.89 0.66 2z5yA1 LYS 503 H -0.04 0.44 -0.07 -0.55 8.42 8.20 2z5yA1 LYS 503 HA -0.00 0.05 0.45 -0.75 4.32 4.06 2z5yA1 LYS 503 HB2 -0.04 0.09 0.16 -0.04 1.87 2.03 2z5yA1 LYS 503 HB3 -0.04 -0.02 0.07 -0.04 1.79 1.76 2z5yA1 LYS 503 HG2 -0.02 -0.03 0.03 -0.04 1.46 1.40 2z5yA1 LYS 503 HG3 -0.04 0.21 0.09 -0.04 1.46 1.68 2z5yA1 LYS 503 HD2 -0.04 -0.02 0.01 -0.04 1.69 1.59 2z5yA1 LYS 503 HD3 -0.04 0.00 0.01 -0.04 1.68 1.61 2z5yA1 LYS 503 HE2 -0.02 0.00 -0.02 -0.04 2.99 2.91 2z5yA1 LYS 503 HE3 -0.03 -0.03 -0.09 -0.04 2.99 2.79 2z5yA1 ILE 504 H -0.02 0.37 -0.38 -0.55 8.25 7.68 2z5yA1 ILE 504 HA -0.00 0.08 0.46 -0.75 4.18 3.97 2z5yA1 ILE 504 HB 0.00 0.09 0.20 -0.04 1.89 2.14 2z5yA1 ILE 504 HG12 -0.06 -0.03 0.00 -0.04 1.49 1.36 2z5yA1 ILE 504 HG13 -0.04 0.16 0.05 -0.04 1.21 1.34 2z5yA1 ILE 504 HG23 0.03 -0.02 -0.05 -0.04 0.93 0.86 2z5yA1 ILE 504 HD13 -0.01 -0.01 -0.03 -0.04 0.88 0.78 2z5yA1 ILE 505 H 0.01 0.90 0.22 -0.55 8.25 8.82 2z5yA1 ILE 505 HA 0.04 -0.02 0.52 -0.75 4.18 3.96 2z5yA1 ILE 505 HB -0.01 0.10 0.20 -0.04 1.89 2.13 2z5yA1 ILE 505 HG12 0.00 -0.04 0.08 -0.04 1.49 1.49 2z5yA1 ILE 505 HG13 0.00 0.03 0.12 -0.04 1.21 1.32 2z5yA1 ILE 505 HG23 -0.01 -0.01 -0.17 -0.04 0.93 0.70 2z5yA1 ILE 505 HD13 -0.03 -0.02 -0.05 -0.04 0.88 0.74 2z5yA1 GLY 506 H 0.04 0.49 -0.48 -0.55 8.43 7.93 2z5yA1 GLY 506 HA2 0.03 0.01 0.51 -0.51 4.01 4.04 2z5yA1 GLY 506 HA3 0.04 0.10 0.28 -0.51 4.01 3.93 2z5yA1 PHE 507 H 0.20 0.43 -0.39 -0.55 8.34 8.01 2z5yA1 PHE 507 HA 0.00 0.07 0.78 -0.75 4.62 4.72 2z5yA1 PHE 507 HB2 -0.00 0.17 0.27 -0.04 3.15 3.54 2z5yA1 PHE 507 HB3 -0.00 -0.02 0.23 -0.04 3.06 3.23 2z5yA1 PHE 507 HD2 0.00 0.01 -0.00 -0.04 7.28 7.25 2z5yA1 PHE 507 HE2 0.00 -0.00 -0.00 -0.04 7.38 7.34 2z5yA1 PHE 507 HZ 0.00 0.00 -0.00 -0.04 7.32 7.28 2z5yA1 SER 508 H 0.19 0.62 0.20 -0.55 8.46 8.92 2z5yA1 SER 508 HA 0.05 -0.01 0.45 -0.75 4.49 4.23 2z5yA1 SER 508 HB2 0.07 -0.00 0.10 -0.04 3.95 4.08 2z5yA1 SER 508 HB3 0.05 0.08 0.22 -0.04 3.93 4.24 2z5yA1 THR 509 H 0.03 0.54 -0.30 -0.55 8.28 8.00 2z5yA1 THR 509 HA 0.01 0.05 0.50 -0.75 4.39 4.19 2z5yA1 THR 509 HB 0.01 0.05 0.14 -0.04 4.32 4.48 2z5yA1 THR 509 HG23 0.01 -0.01 -0.10 -0.04 1.22 1.08 2z5yA1 SER 510 H -0.03 0.28 -0.27 -0.55 8.46 7.90 2z5yA1 SER 510 HA -0.03 -0.01 0.32 -0.75 4.49 4.01 2z5yA1 SER 510 HB2 -0.19 0.09 0.25 -0.04 3.95 4.06 2z5yA1 SER 510 HB3 -0.12 -0.07 0.06 -0.04 3.93 3.76 2z5yA1 VAL 511 H -0.13 0.51 -0.38 -0.55 8.24 7.70 2z5yA1 VAL 511 HA -0.09 0.01 0.39 -0.75 4.13 3.69 2z5yA1 VAL 511 HB -0.12 -0.01 0.01 -0.04 2.12 1.95 2z5yA1 VAL 511 HG13 -0.39 0.01 -0.05 -0.04 0.97 0.50 2z5yA1 VAL 511 HG23 -0.16 0.14 -0.02 -0.04 0.95 0.87 2z5yA1 THR 512 H -0.04 0.53 0.06 -0.55 8.28 8.29 2z5yA1 THR 512 HA -0.03 -0.00 0.53 -0.75 4.39 4.14 2z5yA1 THR 512 HB 0.00 0.18 0.26 -0.04 4.32 4.72 2z5yA1 THR 512 HG23 0.03 -0.02 -0.13 -0.04 1.22 1.05 2z5yA1 ALA 513 H 0.01 0.51 -0.46 -0.55 8.40 7.92 2z5yA1 ALA 513 HA 0.12 0.02 0.50 -0.75 4.34 4.22 2z5yA1 ALA 513 HB3 0.02 0.10 0.10 -0.04 1.41 1.59 2z5yA1 LEU 514 H 0.00 0.48 0.20 -0.55 8.37 8.50 2z5yA1 LEU 514 HA 0.06 0.01 0.69 -0.75 4.35 4.36 2z5yA1 LEU 514 HB2 0.00 0.02 0.14 -0.04 1.64 1.76 2z5yA1 LEU 514 HB3 -0.02 0.05 0.17 -0.04 1.64 1.80 2z5yA1 LEU 514 HG 0.04 -0.10 0.08 -0.04 1.64 1.61 2z5yA1 LEU 514 HD13 0.01 0.00 0.02 -0.04 0.93 0.92 2z5yA1 LEU 514 HD23 -0.01 0.02 -0.09 -0.04 0.89 0.76 2z5yA1 GLY 515 H 0.02 0.87 -0.13 -0.55 8.43 8.64 2z5yA1 GLY 515 HA2 0.03 0.00 0.53 -0.51 4.01 4.05 2z5yA1 GLY 515 HA3 -0.02 0.08 0.30 -0.51 4.01 3.86 2z5yA1 PHE 516 H 0.17 0.31 -0.48 -0.55 8.34 7.79 2z5yA1 PHE 516 HA 0.08 0.10 0.92 -0.75 4.62 4.96 2z5yA1 PHE 516 HB2 0.01 0.18 0.21 -0.04 3.15 3.51 2z5yA1 PHE 516 HB3 0.02 0.03 0.05 -0.04 3.06 3.12 2z5yA1 PHE 516 HD2 0.05 -0.04 0.10 -0.04 7.28 7.35 2z5yA1 PHE 516 HE2 0.08 -0.01 0.00 -0.04 7.38 7.41 2z5yA1 PHE 516 HZ 0.03 -0.01 0.00 -0.04 7.32 7.30 2z5yA1 VAL 517 H 0.17 0.34 0.05 -0.55 8.24 8.25 2z5yA1 VAL 517 HA 0.13 0.10 0.74 -0.75 4.13 4.35 2z5yA1 VAL 517 HB 0.21 -0.02 0.12 -0.04 2.12 2.39 2z5yA1 VAL 517 HG13 0.08 0.04 0.07 -0.04 0.97 1.13 2z5yA1 VAL 517 HG23 0.11 0.02 -0.06 -0.04 0.95 0.98 2z5yA1 LEU 518 H 0.13 0.59 -0.14 -0.55 8.37 8.41 2z5yA1 LEU 518 HA 0.14 0.10 0.53 -0.75 4.35 4.36 2z5yA1 LEU 518 HB2 0.08 0.07 0.08 -0.04 1.64 1.83 2z5yA1 LEU 518 HB3 0.08 -0.08 -0.29 -0.04 1.64 1.30 2z5yA1 LEU 518 HG 0.06 0.12 0.01 -0.04 1.64 1.78 2z5yA1 LEU 518 HD13 0.03 0.05 -0.04 -0.04 0.93 0.93 2z5yA1 LEU 518 HD23 0.07 -0.01 -0.06 -0.04 0.89 0.84 2z5yA1 TYR 519 H 0.22 0.25 -0.44 -0.55 8.29 7.77 2z5yA1 TYR 519 HA 0.01 0.01 0.54 -0.75 4.56 4.37 2z5yA1 TYR 519 HB2 -0.07 0.12 0.15 -0.04 3.06 3.22 2z5yA1 TYR 519 HB3 -0.01 0.06 0.15 -0.04 2.98 3.13 2z5yA1 TYR 519 HD2 0.00 -0.00 -0.01 -0.04 7.15 7.09 2z5yA1 TYR 519 HE2 -0.01 -0.02 0.00 -0.04 6.85 6.79 2z5yA1 LYS 520 H 0.12 0.39 -0.25 -0.55 8.42 8.12 2z5yA1 LYS 520 HA -0.20 0.06 0.58 -0.75 4.32 4.01 2z5yA1 LYS 520 HB2 -0.07 0.01 0.14 -0.04 1.87 1.91 2z5yA1 LYS 520 HB3 -0.21 0.07 0.17 -0.04 1.79 1.78 2z5yA1 LYS 520 HG2 -0.74 -0.02 -0.03 -0.04 1.46 0.63 2z5yA1 LYS 520 HG3 -0.75 0.00 -0.12 -0.04 1.46 0.55 2z5yA1 LYS 520 HD2 -0.20 -0.01 0.07 -0.04 1.69 1.50 2z5yA1 LYS 520 HD3 -0.20 -0.00 0.03 -0.04 1.68 1.48 2z5yA1 LYS 520 HE2 -0.23 -0.01 0.01 -0.04 2.99 2.72 2z5yA1 LYS 520 HE3 -0.14 -0.03 0.01 -0.04 2.99 2.79 2z5yA1 TYR 521 H 0.01 0.23 -0.45 -0.55 8.29 7.52 2z5yA1 TYR 521 HA -0.03 0.19 0.79 -0.75 4.56 4.76 2z5yA1 TYR 521 HB2 0.01 0.10 0.10 -0.04 3.06 3.23 2z5yA1 TYR 521 HB3 -0.01 -0.04 0.15 -0.04 2.98 3.05 2z5yA1 TYR 521 HD2 0.00 0.12 0.04 -0.04 7.15 7.27 2z5yA1 TYR 521 HE2 -0.01 -0.03 -0.01 -0.04 6.85 6.76 2z5yA1 LYS 522 H -0.07 0.21 -0.49 -0.55 8.42 7.51 2z5yA1 LYS 522 HA -0.04 0.01 0.31 -0.75 4.32 3.85 2z5yA1 LYS 522 HB2 0.01 0.08 0.13 -0.04 1.87 2.05 2z5yA1 LYS 522 HB3 -0.02 -0.06 0.16 -0.04 1.79 1.83 2z5yA1 LYS 522 HG2 -0.09 0.01 -0.02 -0.04 1.46 1.32 2z5yA1 LYS 522 HG3 -0.05 0.01 -0.30 -0.04 1.46 1.07 2z5yA1 LYS 522 HD2 0.00 0.02 -0.06 -0.04 1.69 1.61 2z5yA1 LYS 522 HD3 -0.02 -0.04 -0.01 -0.04 1.68 1.57 2z5yA1 LYS 522 HE2 -0.03 0.06 -0.05 -0.04 2.99 2.93 2z5yA1 LYS 522 HE3 -0.01 -0.04 -0.02 -0.04 2.99 2.88 2z5yA1 LEU 523 H 0.07 0.72 -0.07 -0.55 8.37 8.54 2z5yA1 LEU 523 HA 0.04 0.20 0.87 -0.75 4.35 4.70 2z5yA1 LEU 523 HB2 0.07 -0.03 0.07 -0.04 1.64 1.71 2z5yA1 LEU 523 HB3 0.04 -0.05 0.17 -0.04 1.64 1.76 2z5yA1 LEU 523 HG 0.09 0.28 -0.23 -0.04 1.64 1.74 2z5yA1 LEU 523 HD13 0.02 -0.03 -0.00 -0.04 0.93 0.88 2z5yA1 LEU 523 HD23 0.02 0.01 -0.03 -0.04 0.89 0.85 2z5yA1 LEU 524 H 0.05 0.15 -0.34 -0.55 8.37 7.69 2z5yA1 LEU 524 HA 0.05 0.08 0.17 -0.75 4.35 3.90 2z5yA1 LEU 524 HB2 0.06 0.03 -0.01 -0.04 1.64 1.67 2z5yA1 LEU 524 HB3 0.05 0.01 0.01 -0.04 1.64 1.67 2z5yA1 LEU 524 HG 0.12 0.01 -0.02 -0.04 1.64 1.71 2z5yA1 LEU 524 HD13 0.11 -0.01 -0.13 -0.04 0.93 0.86 2z5yA1 LEU 524 HD23 0.18 0.01 -0.03 -0.04 0.89 1.01