============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 16 1.000 76.233 27.088 -13.970 -99.200 -91.000 PHE 25 1.000 68.926 29.258 -16.198 -99.200 -91.000 PHE 29 1.000 66.827 26.223 -10.793 -99.200 -91.000 TYR 36 0.840 56.196 21.465 -12.983 -99.200 -91.000 TYR 58 0.840 64.139 29.004 13.837 -99.200 -91.000 HIS 66 0.900 55.139 13.169 -2.182 -99.200 -91.000 HIS 70 0.900 66.672 17.738 -1.158 -99.200 -91.000 HIS 99 0.900 69.583 11.790 -13.125 -99.200 -91.000 TYR 117 0.840 71.893 5.090 -23.179 -99.200 -91.000 PHE 131 1.000 52.954 2.157 -16.056 -99.200 -91.000 HIS 144 0.900 70.339 -6.509 -21.736 -99.200 -91.000 TRP 161 1.040 76.583 15.034 -24.013 -99.200 -91.000 TRP6 161 1.020 78.257 15.882 -22.576 -99.200 -91.000 TYR 165 0.840 79.797 17.597 -28.654 -99.200 -91.000 HIS 169 0.900 72.684 19.064 -20.138 -99.200 -91.000 TYR 170 0.840 75.628 12.371 -18.982 -99.200 -91.000 HIS 179 0.900 84.671 23.567 -14.527 -99.200 -91.000 TYR 181 0.840 77.746 17.765 -16.697 -99.200 -91.000 PHE 188 1.000 71.115 24.668 -12.435 -99.200 -91.000 PHE 225 1.000 77.096 22.133 6.065 -99.200 -91.000 PHE 228 1.000 73.745 29.385 6.045 -99.200 -91.000 HIS 247 0.900 82.407 12.894 4.052 -99.200 -91.000 TYR 249 0.840 81.875 22.454 -1.920 -99.200 -91.000 TYR 258 0.840 84.030 16.785 7.763 -99.200 -91.000 PHE 270 1.000 62.994 7.586 15.226 -99.200 -91.000 HIS 276 0.900 59.937 16.082 24.588 -99.200 -91.000 HIS 287 0.900 73.085 9.025 12.919 -99.200 -91.000 HIS 291 0.900 77.526 18.205 17.372 -99.200 -91.000 PHE 319 1.000 58.201 -0.093 7.483 -99.200 -91.000 HIS 322 0.900 58.394 -2.462 15.034 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dh6A1 VAL 17 HA 0.05 -0.04 0.20 -0.75 4.13 3.58 2dh6A1 VAL 17 HB 0.04 -0.01 -0.00 -0.04 2.12 2.10 2dh6A1 VAL 17 HG13 0.04 0.04 -0.27 -0.04 0.97 0.74 2dh6A1 VAL 17 HG23 0.08 -0.00 0.04 -0.04 0.95 1.03 2dh6A1 PRO 18 HA 0.01 0.06 0.50 -0.51 4.44 4.49 2dh6A1 PRO 18 HB2 -0.00 -0.06 0.08 -0.04 2.28 2.25 2dh6A1 PRO 18 HB3 0.01 0.07 0.14 -0.04 2.02 2.20 2dh6A1 PRO 18 HG2 0.01 -0.08 0.13 -0.04 2.03 2.06 2dh6A1 PRO 18 HG3 0.02 0.07 0.09 -0.04 2.03 2.17 2dh6A1 PRO 18 HD2 0.05 0.09 0.17 -0.04 3.68 3.95 2dh6A1 PRO 18 HD3 0.03 0.13 0.15 -0.04 3.65 3.92 2dh6A1 GLN 19 H -0.00 0.16 0.24 -0.55 8.47 8.32 2dh6A1 GLN 19 HA -0.01 0.11 0.37 -0.75 4.36 4.07 2dh6A1 GLN 19 HB2 -0.01 0.03 0.14 -0.04 2.15 2.27 2dh6A1 GLN 19 HB3 -0.00 0.05 0.19 -0.04 2.02 2.21 2dh6A1 GLN 19 HG2 -0.01 0.02 -0.12 -0.04 2.40 2.25 2dh6A1 GLN 19 HG3 -0.01 0.04 0.01 -0.04 2.39 2.39 2dh6A1 GLN 19 HE21 -0.00 0.01 0.04 -0.04 6.97 6.98 2dh6A1 GLN 19 HE22 -0.01 0.04 0.01 -0.04 7.69 7.69 2dh6A1 ILE 20 H -0.02 -0.00 -0.59 -0.55 8.25 7.09 2dh6A1 ILE 20 HA -0.02 0.13 0.52 -0.75 4.18 4.05 2dh6A1 ILE 20 HB -0.01 -0.03 0.07 -0.04 1.89 1.88 2dh6A1 ILE 20 HG12 -0.01 0.03 -0.03 -0.04 1.49 1.44 2dh6A1 ILE 20 HG13 0.01 -0.01 0.15 -0.04 1.21 1.31 2dh6A1 ILE 20 HG23 -0.02 -0.02 -0.06 -0.04 0.93 0.79 2dh6A1 ILE 20 HD13 -0.01 0.02 0.06 -0.04 0.88 0.91 2dh6A1 LEU 21 H -0.06 0.55 -0.06 -0.55 8.37 8.26 2dh6A1 LEU 21 HA -0.35 0.13 0.73 -0.75 4.35 4.10 2dh6A1 LEU 21 HB2 -0.02 0.14 0.04 -0.04 1.64 1.76 2dh6A1 LEU 21 HB3 -0.07 -0.06 0.08 -0.04 1.64 1.55 2dh6A1 LEU 21 HG -0.04 -0.03 -0.01 -0.04 1.64 1.51 2dh6A1 LEU 21 HD13 0.15 -0.01 0.02 -0.04 0.93 1.05 2dh6A1 LEU 21 HD23 -0.25 0.02 0.01 -0.04 0.89 0.63 2dh6A1 MET 22 H -0.08 0.26 -0.35 -0.55 8.47 7.75 2dh6A1 MET 22 HA -0.05 0.02 0.32 -0.75 4.52 4.06 2dh6A1 MET 22 HB2 -0.05 0.17 0.10 -0.04 2.15 2.32 2dh6A1 MET 22 HB3 -0.03 -0.04 -0.04 -0.04 2.03 1.88 2dh6A1 MET 22 HG2 -0.02 -0.01 0.04 -0.04 2.63 2.59 2dh6A1 MET 22 HG3 -0.01 -0.01 0.05 -0.04 2.56 2.54 2dh6A1 MET 22 HE3 0.01 -0.02 0.02 -0.04 2.10 2.06 2dh6A1 PRO 23 HA -0.10 0.05 0.44 -0.51 4.44 4.32 2dh6A1 PRO 23 HB2 -0.30 0.02 0.03 -0.04 2.28 1.99 2dh6A1 PRO 23 HB3 -0.02 0.05 0.04 -0.04 2.02 2.05 2dh6A1 PRO 23 HG2 0.01 0.10 0.06 -0.04 2.03 2.15 2dh6A1 PRO 23 HG3 -0.03 0.02 0.04 -0.04 2.03 2.02 2dh6A1 PRO 23 HD2 -0.20 0.25 -0.28 -0.04 3.68 3.41 2dh6A1 PRO 23 HD3 -0.08 0.18 0.04 -0.04 3.65 3.75 2dh6A1 ALA 24 H -0.90 0.20 -0.20 -0.55 8.40 6.96 2dh6A1 ALA 24 HA -0.50 0.09 0.38 -0.75 4.34 3.56 2dh6A1 ALA 24 HB3 -1.42 0.03 0.09 -0.04 1.41 0.06 2dh6A1 LEU 25 H -0.18 0.59 -0.08 -0.55 8.37 8.16 2dh6A1 LEU 25 HA 0.13 0.00 0.50 -0.75 4.35 4.23 2dh6A1 LEU 25 HB2 0.02 0.06 0.11 -0.04 1.64 1.79 2dh6A1 LEU 25 HB3 0.07 0.14 0.15 -0.04 1.64 1.95 2dh6A1 LEU 25 HG 0.11 0.09 0.07 -0.04 1.64 1.86 2dh6A1 LEU 25 HD13 0.13 -0.02 -0.09 -0.04 0.93 0.91 2dh6A1 LEU 25 HD23 0.45 0.01 -0.06 -0.04 0.89 1.25 2dh6A1 ARG 26 H -0.06 0.57 -0.16 -0.55 8.46 8.26 2dh6A1 ARG 26 HA 0.01 -0.00 0.50 -0.75 4.34 4.09 2dh6A1 ARG 26 HB2 -0.03 0.22 0.21 -0.04 1.90 2.25 2dh6A1 ARG 26 HB3 -0.01 0.00 -0.01 -0.04 1.80 1.74 2dh6A1 ARG 26 HG2 -0.00 -0.01 -0.00 -0.04 1.67 1.62 2dh6A1 ARG 26 HG3 0.01 -0.04 0.04 -0.04 1.67 1.64 2dh6A1 ARG 26 HD2 0.03 -0.05 -0.06 -0.04 3.22 3.10 2dh6A1 ARG 26 HD3 0.00 0.12 0.02 -0.04 3.22 3.32 2dh6A1 GLN 27 H -0.03 0.63 0.01 -0.55 8.47 8.52 2dh6A1 GLN 27 HA 0.01 0.02 0.46 -0.75 4.36 4.09 2dh6A1 GLN 27 HB2 0.01 0.11 0.14 -0.04 2.15 2.38 2dh6A1 GLN 27 HB3 0.05 0.03 0.03 -0.04 2.02 2.10 2dh6A1 GLN 27 HG2 0.04 0.01 0.04 -0.04 2.40 2.44 2dh6A1 GLN 27 HG3 0.01 -0.08 0.04 -0.04 2.39 2.32 2dh6A1 GLN 27 HE21 0.05 -0.09 -0.07 -0.04 6.97 6.81 2dh6A1 GLN 27 HE22 -0.00 -0.04 0.04 -0.04 7.69 7.64 2dh6A1 LEU 28 H 0.03 0.30 -0.51 -0.55 8.37 7.64 2dh6A1 LEU 28 HA 0.04 0.09 0.50 -0.75 4.35 4.24 2dh6A1 LEU 28 HB2 0.15 0.13 0.14 -0.04 1.64 2.02 2dh6A1 LEU 28 HB3 -0.04 0.10 0.23 -0.04 1.64 1.90 2dh6A1 LEU 28 HG -0.17 -0.08 -0.18 -0.04 1.64 1.17 2dh6A1 LEU 28 HD13 0.06 0.00 0.01 -0.04 0.93 0.96 2dh6A1 LEU 28 HD23 -0.45 -0.02 -0.03 -0.04 0.89 0.34 2dh6A1 GLU 29 H -0.04 0.68 0.10 -0.55 8.60 8.79 2dh6A1 GLU 29 HA -0.04 -0.06 0.41 -0.75 4.29 3.84 2dh6A1 GLU 29 HB2 -0.11 -0.06 0.16 -0.04 2.09 2.04 2dh6A1 GLU 29 HB3 0.00 0.15 0.23 -0.04 1.99 2.33 2dh6A1 GLU 29 HG2 0.04 0.05 -0.29 -0.04 2.34 2.10 2dh6A1 GLU 29 HG3 0.04 -0.08 0.04 -0.04 2.34 2.31 2dh6A1 GLU 30 H 0.01 0.62 -0.29 -0.55 8.60 8.39 2dh6A1 GLU 30 HA 0.00 -0.01 0.39 -0.75 4.29 3.92 2dh6A1 GLU 30 HB2 0.01 0.17 0.16 -0.04 2.09 2.39 2dh6A1 GLU 30 HB3 0.00 0.06 -0.02 -0.04 1.99 1.99 2dh6A1 GLU 30 HG2 0.00 -0.03 0.01 -0.04 2.34 2.28 2dh6A1 GLU 30 HG3 0.00 -0.01 -0.01 -0.04 2.34 2.28 2dh6A1 ALA 31 H 0.01 0.51 -0.21 -0.55 8.40 8.17 2dh6A1 ALA 31 HA -0.04 0.01 0.47 -0.75 4.34 4.03 2dh6A1 ALA 31 HB3 -0.01 0.03 0.16 -0.04 1.41 1.55 2dh6A1 PHE 32 H 0.08 0.69 -0.07 -0.55 8.34 8.49 2dh6A1 PHE 32 HA -0.20 0.01 0.37 -0.75 4.62 4.04 2dh6A1 PHE 32 HB2 -0.17 0.01 0.06 -0.04 3.15 3.01 2dh6A1 PHE 32 HB3 -0.15 0.05 0.15 -0.04 3.06 3.07 2dh6A1 PHE 32 HD2 -0.16 0.02 -0.04 -0.04 7.28 7.06 2dh6A1 PHE 32 HE2 -0.40 0.01 -0.09 -0.04 7.38 6.85 2dh6A1 PHE 32 HZ -0.32 0.02 -0.11 -0.04 7.32 6.87 2dh6A1 VAL 33 H 0.00 0.62 -0.05 -0.55 8.24 8.26 2dh6A1 VAL 33 HA -0.28 -0.02 0.40 -0.75 4.13 3.48 2dh6A1 VAL 33 HB -0.02 0.27 0.20 -0.04 2.12 2.53 2dh6A1 VAL 33 HG13 -0.05 0.01 -0.11 -0.04 0.97 0.78 2dh6A1 VAL 33 HG23 -0.03 -0.03 0.04 -0.04 0.95 0.89 2dh6A1 SER 34 H -0.12 0.44 -0.33 -0.55 8.46 7.90 2dh6A1 SER 34 HA -0.10 0.02 0.42 -0.75 4.49 4.08 2dh6A1 SER 34 HB2 -0.06 -0.02 0.09 -0.04 3.95 3.91 2dh6A1 SER 34 HB3 -0.10 0.18 0.20 -0.04 3.93 4.17 2dh6A1 ALA 35 H -0.30 0.68 0.03 -0.55 8.40 8.26 2dh6A1 ALA 35 HA -0.34 -0.02 0.50 -0.75 4.34 3.73 2dh6A1 ALA 35 HB3 -1.20 0.01 0.12 -0.04 1.41 0.30 2dh6A1 GLN 36 H -0.43 0.50 -0.38 -0.55 8.47 7.62 2dh6A1 GLN 36 HA -0.17 0.01 0.48 -0.75 4.36 3.93 2dh6A1 GLN 36 HB2 -0.70 0.21 0.11 -0.04 2.15 1.73 2dh6A1 GLN 36 HB3 -0.29 0.02 -0.01 -0.04 2.02 1.69 2dh6A1 GLN 36 HG2 -0.18 -0.02 0.06 -0.04 2.40 2.22 2dh6A1 GLN 36 HG3 -0.62 -0.03 -0.03 -0.04 2.39 1.67 2dh6A1 GLN 36 HE21 -0.11 -0.05 -0.04 -0.04 6.97 6.73 2dh6A1 GLN 36 HE22 -0.19 0.07 -0.04 -0.04 7.69 7.49 2dh6A1 LYS 37 H -0.16 0.40 -0.51 -0.55 8.42 7.60 2dh6A1 LYS 37 HA -0.05 0.09 0.68 -0.75 4.32 4.28 2dh6A1 LYS 37 HB2 -0.08 0.16 0.17 -0.04 1.87 2.08 2dh6A1 LYS 37 HB3 -0.04 -0.09 0.17 -0.04 1.79 1.79 2dh6A1 LYS 37 HG2 -0.05 -0.05 0.02 -0.04 1.46 1.34 2dh6A1 LYS 37 HG3 -0.09 0.08 -0.04 -0.04 1.46 1.37 2dh6A1 LYS 37 HD2 -0.04 -0.05 0.03 -0.04 1.69 1.59 2dh6A1 LYS 37 HD3 -0.04 -0.06 -0.01 -0.04 1.68 1.53 2dh6A1 LYS 37 HE2 -0.08 0.15 -0.13 -0.04 2.99 2.89 2dh6A1 LYS 37 HE3 -0.06 0.02 0.00 -0.04 2.99 2.91 2dh6A1 ASP 38 H -0.04 0.35 -0.50 -0.55 8.40 7.66 2dh6A1 ASP 38 HA 0.02 0.27 1.10 -0.75 4.63 5.26 2dh6A1 ASP 38 HB2 -0.01 0.17 0.03 -0.04 2.71 2.86 2dh6A1 ASP 38 HB3 0.07 0.01 0.27 -0.04 2.70 3.01 2dh6A1 PRO 39 HA 0.07 0.09 0.40 -0.51 4.44 4.48 2dh6A1 PRO 39 HB2 0.03 0.02 -0.01 -0.04 2.28 2.27 2dh6A1 PRO 39 HB3 0.03 0.04 0.07 -0.04 2.02 2.12 2dh6A1 PRO 39 HG2 0.01 0.04 0.06 -0.04 2.03 2.11 2dh6A1 PRO 39 HG3 0.02 0.09 -0.01 -0.04 2.03 2.09 2dh6A1 PRO 39 HD2 0.03 0.04 0.22 -0.04 3.68 3.92 2dh6A1 PRO 39 HD3 0.02 0.48 0.24 -0.04 3.65 4.35 2dh6A1 GLU 40 H 0.06 0.14 -0.33 -0.55 8.60 7.92 2dh6A1 GLU 40 HA 0.04 0.10 0.45 -0.75 4.29 4.12 2dh6A1 GLU 40 HB2 0.05 -0.00 0.08 -0.04 2.09 2.17 2dh6A1 GLU 40 HB3 0.07 0.07 -0.07 -0.04 1.99 2.02 2dh6A1 GLU 40 HG2 0.03 -0.00 0.03 -0.04 2.34 2.35 2dh6A1 GLU 40 HG3 0.03 0.03 0.01 -0.04 2.34 2.38 2dh6A1 PHE 41 H 0.21 0.32 -0.27 -0.55 8.34 8.05 2dh6A1 PHE 41 HA 0.02 0.08 0.50 -0.75 4.62 4.47 2dh6A1 PHE 41 HB2 0.00 -0.05 0.19 -0.04 3.15 3.26 2dh6A1 PHE 41 HB3 0.02 0.29 0.34 -0.04 3.06 3.67 2dh6A1 PHE 41 HD2 0.03 0.03 -0.07 -0.04 7.28 7.23 2dh6A1 PHE 41 HE2 0.04 0.01 -0.23 -0.04 7.38 7.16 2dh6A1 PHE 41 HZ -0.12 0.10 -0.02 -0.04 7.32 7.24 2dh6A1 GLN 42 H 0.30 0.53 0.10 -0.55 8.47 8.84 2dh6A1 GLN 42 HA 0.21 -0.01 0.30 -0.75 4.36 4.11 2dh6A1 GLN 42 HB2 0.11 0.05 0.06 -0.04 2.15 2.33 2dh6A1 GLN 42 HB3 0.12 -0.03 0.04 -0.04 2.02 2.11 2dh6A1 GLN 42 HG2 0.26 0.15 0.09 -0.04 2.40 2.86 2dh6A1 GLN 42 HG3 0.12 0.03 -0.03 -0.04 2.39 2.47 2dh6A1 GLN 42 HE21 0.30 -0.05 -0.04 -0.04 6.97 7.14 2dh6A1 GLN 42 HE22 0.30 0.13 -0.02 -0.04 7.69 8.06 2dh6A1 ALA 43 H 0.05 0.19 -1.03 -0.55 8.40 7.06 2dh6A1 ALA 43 HA -0.01 0.03 0.43 -0.75 4.34 4.03 2dh6A1 ALA 43 HB3 0.01 0.07 0.10 -0.04 1.41 1.55 2dh6A1 GLN 44 H -0.05 0.51 0.04 -0.55 8.47 8.42 2dh6A1 GLN 44 HA -0.04 0.00 0.48 -0.75 4.36 4.05 2dh6A1 GLN 44 HB2 -0.18 0.05 0.10 -0.04 2.15 2.09 2dh6A1 GLN 44 HB3 -0.06 -0.05 0.10 -0.04 2.02 1.97 2dh6A1 GLN 44 HG2 -0.02 -0.10 0.11 -0.04 2.40 2.35 2dh6A1 GLN 44 HG3 -0.02 0.43 0.31 -0.04 2.39 3.07 2dh6A1 GLN 44 HE21 0.01 0.00 0.00 -0.04 6.97 6.94 2dh6A1 GLN 44 HE22 0.00 -0.03 0.02 -0.04 7.69 7.65 2dh6A1 PHE 45 H -0.13 0.68 -0.19 -0.55 8.34 8.15 2dh6A1 PHE 45 HA -0.30 0.04 0.35 -0.75 4.62 3.96 2dh6A1 PHE 45 HB2 -0.68 0.03 -0.04 -0.04 3.15 2.41 2dh6A1 PHE 45 HB3 -0.21 0.09 -0.00 -0.04 3.06 2.90 2dh6A1 PHE 45 HD2 -0.09 0.02 -0.04 -0.04 7.28 7.12 2dh6A1 PHE 45 HE2 0.04 -0.01 -0.01 -0.04 7.38 7.36 2dh6A1 PHE 45 HZ -0.00 0.10 0.05 -0.04 7.32 7.43 2dh6A1 ASN 46 H -0.08 0.42 -0.45 -0.55 8.53 7.87 2dh6A1 ASN 46 HA -0.33 -0.00 0.49 -0.75 4.76 4.16 2dh6A1 ASN 46 HB2 -0.08 0.30 0.20 -0.04 2.88 3.26 2dh6A1 ASN 46 HB3 -0.08 0.01 -0.04 -0.04 2.79 2.64 2dh6A1 ASN 46 HD21 -0.10 -0.07 -0.04 -0.04 7.03 6.78 2dh6A1 ASN 46 HD22 -0.11 0.10 -0.01 -0.04 7.74 7.68 2dh6A1 ASP 47 H -0.07 0.40 -0.14 -0.55 8.40 8.05 2dh6A1 ASP 47 HA -0.05 0.05 0.47 -0.75 4.63 4.34 2dh6A1 ASP 47 HB2 -0.03 0.08 0.16 -0.04 2.71 2.88 2dh6A1 ASP 47 HB3 -0.01 0.07 0.14 -0.04 2.70 2.85 2dh6A1 LEU 48 H -0.02 0.55 -0.15 -0.55 8.37 8.20 2dh6A1 LEU 48 HA 0.20 0.02 0.33 -0.75 4.35 4.15 2dh6A1 LEU 48 HB2 0.04 0.12 0.10 -0.04 1.64 1.86 2dh6A1 LEU 48 HB3 0.08 -0.07 -0.04 -0.04 1.64 1.57 2dh6A1 LEU 48 HG 0.01 0.14 0.06 -0.04 1.64 1.80 2dh6A1 LEU 48 HD13 -0.03 -0.02 -0.03 -0.04 0.93 0.81 2dh6A1 LEU 48 HD23 0.01 -0.01 -0.03 -0.04 0.89 0.83 2dh6A1 LEU 49 H -0.17 0.54 -0.26 -0.55 8.37 7.93 2dh6A1 LEU 49 HA -0.07 -0.06 0.30 -0.75 4.35 3.77 2dh6A1 LEU 49 HB2 -0.41 0.20 0.21 -0.04 1.64 1.60 2dh6A1 LEU 49 HB3 -0.21 -0.00 -0.06 -0.04 1.64 1.33 2dh6A1 LEU 49 HG -0.24 -0.09 -0.03 -0.04 1.64 1.24 2dh6A1 LEU 49 HD13 -0.11 -0.01 0.01 -0.04 0.93 0.78 2dh6A1 LEU 49 HD23 -1.30 0.04 -0.07 -0.04 0.89 -0.48 2dh6A1 LYS 50 H -0.08 0.49 -0.38 -0.55 8.42 7.89 2dh6A1 LYS 50 HA -0.06 0.15 0.53 -0.75 4.32 4.18 2dh6A1 LYS 50 HB2 -0.07 0.05 0.24 -0.04 1.87 2.05 2dh6A1 LYS 50 HB3 -0.06 -0.04 0.04 -0.04 1.79 1.69 2dh6A1 LYS 50 HG2 -0.07 -0.05 -0.02 -0.04 1.46 1.28 2dh6A1 LYS 50 HG3 -0.07 0.19 0.08 -0.04 1.46 1.61 2dh6A1 LYS 50 HD2 -0.05 -0.05 0.01 -0.04 1.69 1.56 2dh6A1 LYS 50 HD3 -0.05 0.05 0.03 -0.04 1.68 1.67 2dh6A1 LYS 50 HE2 -0.05 -0.02 -0.05 -0.04 2.99 2.83 2dh6A1 LYS 50 HE3 -0.05 -0.03 -0.06 -0.04 2.99 2.81 2dh6A1 ASN 51 H -0.07 0.71 0.13 -0.55 8.53 8.75 2dh6A1 ASN 51 HA -0.21 0.05 0.48 -0.75 4.76 4.33 2dh6A1 ASN 51 HB2 -0.14 0.04 0.11 -0.04 2.88 2.85 2dh6A1 ASN 51 HB3 -0.55 -0.05 0.06 -0.04 2.79 2.21 2dh6A1 ASN 51 HD21 -0.05 -0.08 0.03 -0.04 7.03 6.90 2dh6A1 ASN 51 HD22 -0.03 0.21 -0.01 -0.04 7.74 7.87 2dh6A1 TYR 52 H 0.04 0.83 -0.09 -0.55 8.29 8.52 2dh6A1 TYR 52 HA -0.01 0.30 1.27 -0.75 4.56 5.36 2dh6A1 TYR 52 HB2 -0.02 0.05 -0.02 -0.04 3.06 3.03 2dh6A1 TYR 52 HB3 -0.01 -0.08 0.05 -0.04 2.98 2.89 2dh6A1 TYR 52 HD2 -0.02 -0.01 0.00 -0.04 7.15 7.08 2dh6A1 TYR 52 HE2 -0.02 -0.01 -0.05 -0.04 6.85 6.73 2dh6A1 ALA 53 H 0.03 0.39 -0.06 -0.55 8.40 8.21 2dh6A1 ALA 53 HA 0.06 0.10 0.84 -0.75 4.34 4.59 2dh6A1 ALA 53 HB3 0.04 0.00 0.03 -0.04 1.41 1.45 2dh6A1 GLY 54 H -0.01 0.18 -0.22 -0.55 8.43 7.83 2dh6A1 GLY 54 HA2 -0.03 0.15 0.28 -0.51 4.01 3.91 2dh6A1 GLY 54 HA3 -0.01 -0.08 0.30 -0.51 4.01 3.71 2dh6A1 ARG 55 H -0.04 0.38 0.00 -0.55 8.46 8.26 2dh6A1 ARG 55 HA -0.02 0.08 0.75 -0.75 4.34 4.41 2dh6A1 ARG 55 HB2 -0.07 0.01 -0.25 -0.04 1.90 1.55 2dh6A1 ARG 55 HB3 -0.05 -0.09 -0.04 -0.04 1.80 1.58 2dh6A1 ARG 55 HG2 0.01 0.12 -0.29 -0.04 1.67 1.47 2dh6A1 ARG 55 HG3 -0.02 0.05 -0.16 -0.04 1.67 1.50 2dh6A1 ARG 55 HD2 -0.00 -0.05 -0.07 -0.04 3.22 3.06 2dh6A1 ARG 55 HD3 -0.07 -0.02 -0.09 -0.04 3.22 3.01 2dh6A1 PRO 56 HA -0.02 -0.07 0.35 -0.51 4.44 4.19 2dh6A1 PRO 56 HB2 -0.02 0.14 -0.04 -0.04 2.28 2.32 2dh6A1 PRO 56 HB3 -0.03 -0.03 0.06 -0.04 2.02 1.97 2dh6A1 PRO 56 HG2 -0.02 0.03 -0.01 -0.04 2.03 1.99 2dh6A1 PRO 56 HG3 -0.02 0.01 0.03 -0.04 2.03 2.01 2dh6A1 PRO 56 HD2 -0.03 0.13 0.30 -0.04 3.68 4.03 2dh6A1 PRO 56 HD3 -0.04 0.06 0.17 -0.04 3.65 3.80 2dh6A1 THR 57 H 0.00 0.00 0.10 -0.55 8.28 7.84 2dh6A1 THR 57 HA -0.01 0.17 0.54 -0.75 4.39 4.34 2dh6A1 THR 57 HB 0.01 0.18 0.01 -0.04 4.32 4.49 2dh6A1 THR 57 HG23 0.03 -0.02 0.04 -0.04 1.22 1.23 2dh6A1 ALA 58 H -0.00 0.10 0.17 -0.55 8.40 8.12 2dh6A1 ALA 58 HA 0.00 0.18 0.47 -0.75 4.34 4.23 2dh6A1 ALA 58 HB3 0.01 0.01 0.06 -0.04 1.41 1.44 2dh6A1 LEU 59 H 0.02 0.29 0.11 -0.55 8.37 8.24 2dh6A1 LEU 59 HA 0.05 0.12 0.92 -0.75 4.35 4.68 2dh6A1 LEU 59 HB2 -0.01 0.01 -0.05 -0.04 1.64 1.56 2dh6A1 LEU 59 HB3 -0.01 0.03 0.12 -0.04 1.64 1.74 2dh6A1 LEU 59 HG 0.11 -0.00 -0.36 -0.04 1.64 1.34 2dh6A1 LEU 59 HD13 0.03 0.01 -0.26 -0.04 0.93 0.66 2dh6A1 LEU 59 HD23 -0.33 0.02 -0.16 -0.04 0.89 0.37 2dh6A1 THR 60 H 0.09 0.53 0.21 -0.55 8.28 8.56 2dh6A1 THR 60 HA 0.13 0.26 1.29 -0.75 4.39 5.31 2dh6A1 THR 60 HB 0.03 0.08 0.04 -0.04 4.32 4.43 2dh6A1 THR 60 HG23 0.03 0.01 -0.18 -0.04 1.22 1.03 2dh6A1 LYS 61 H 0.06 0.19 0.18 -0.55 8.42 8.30 2dh6A1 LYS 61 HA -0.51 0.18 0.69 -0.75 4.32 3.93 2dh6A1 LYS 61 HB2 -0.29 0.02 0.08 -0.04 1.87 1.64 2dh6A1 LYS 61 HB3 -0.13 -0.04 0.12 -0.04 1.79 1.70 2dh6A1 LYS 61 HG2 -0.39 0.12 -0.19 -0.04 1.46 0.96 2dh6A1 LYS 61 HG3 -0.87 0.01 -0.08 -0.04 1.46 0.47 2dh6A1 LYS 61 HD2 -0.12 -0.08 -0.12 -0.04 1.69 1.34 2dh6A1 LYS 61 HD3 -0.16 0.03 -0.14 -0.04 1.68 1.37 2dh6A1 LYS 61 HE2 -0.09 0.04 -0.06 -0.04 2.99 2.85 2dh6A1 LYS 61 HE3 -0.02 -0.01 -0.03 -0.04 2.99 2.90 2dh6A1 CYS 62 H -0.20 0.72 0.35 -0.55 8.50 8.82 2dh6A1 CYS 62 HA -0.06 0.11 0.82 -0.75 4.58 4.69 2dh6A1 CYS 62 HB2 -0.07 0.02 0.12 -0.04 2.97 2.99 2dh6A1 CYS 62 HB3 -0.05 -0.12 0.00 -0.04 2.97 2.76 2dh6A1 GLN 63 H -0.05 0.15 0.19 -0.55 8.47 8.21 2dh6A1 GLN 63 HA -0.08 0.30 1.07 -0.75 4.36 4.90 2dh6A1 GLN 63 HB2 -0.04 -0.00 0.09 -0.04 2.15 2.15 2dh6A1 GLN 63 HB3 -0.04 0.04 0.04 -0.04 2.02 2.01 2dh6A1 GLN 63 HG2 -0.09 0.05 -0.27 -0.04 2.40 2.04 2dh6A1 GLN 63 HG3 -0.06 0.05 -0.10 -0.04 2.39 2.24 2dh6A1 GLN 63 HE21 -0.02 0.00 -0.01 -0.04 6.97 6.91 2dh6A1 GLN 63 HE22 -0.03 0.00 -0.00 -0.04 7.69 7.62 2dh6A1 ASN 64 H -0.02 0.09 0.12 -0.55 8.53 8.17 2dh6A1 ASN 64 HA -0.02 0.11 0.42 -0.75 4.76 4.52 2dh6A1 ASN 64 HB2 0.05 -0.04 0.07 -0.04 2.88 2.92 2dh6A1 ASN 64 HB3 0.08 0.04 0.06 -0.04 2.79 2.93 2dh6A1 ASN 64 HD21 0.01 -0.08 0.12 -0.04 7.03 7.03 2dh6A1 ASN 64 HD22 0.03 0.95 0.31 -0.04 7.74 8.99 2dh6A1 ILE 65 H -0.04 -0.01 -0.26 -0.55 8.25 7.39 2dh6A1 ILE 65 HA -0.21 0.12 0.29 -0.75 4.18 3.62 2dh6A1 ILE 65 HB -0.05 -0.07 -0.07 -0.04 1.89 1.66 2dh6A1 ILE 65 HG12 -0.09 0.08 -0.08 -0.04 1.49 1.36 2dh6A1 ILE 65 HG13 0.02 -0.07 -0.09 -0.04 1.21 1.02 2dh6A1 ILE 65 HG23 -0.06 0.02 -0.27 -0.04 0.93 0.57 2dh6A1 ILE 65 HD13 -0.00 -0.01 -0.15 -0.04 0.88 0.67 2dh6A1 THR 66 H -0.07 0.08 -0.39 -0.55 8.28 7.35 2dh6A1 THR 66 HA -0.06 0.08 0.48 -0.75 4.39 4.13 2dh6A1 THR 66 HB -0.05 0.19 0.06 -0.04 4.32 4.48 2dh6A1 THR 66 HG23 -0.07 -0.12 -0.07 -0.04 1.22 0.91 2dh6A1 ALA 67 H -0.07 0.21 -0.42 -0.55 8.40 7.58 2dh6A1 ALA 67 HA -0.04 -0.07 0.40 -0.75 4.34 3.87 2dh6A1 ALA 67 HB3 -0.05 0.01 0.13 -0.04 1.41 1.46 2dh6A1 GLY 68 H -0.03 0.06 0.22 -0.55 8.43 8.13 2dh6A1 GLY 68 HA2 -0.02 -0.08 0.38 -0.51 4.01 3.77 2dh6A1 GLY 68 HA3 -0.03 0.11 0.65 -0.51 4.01 4.23 2dh6A1 THR 69 H -0.03 0.46 0.08 -0.55 8.28 8.24 2dh6A1 THR 69 HA -0.02 0.21 0.98 -0.75 4.39 4.80 2dh6A1 THR 69 HB -0.03 0.03 0.25 -0.04 4.32 4.54 2dh6A1 THR 69 HG23 -0.04 0.05 -0.29 -0.04 1.22 0.91 2dh6A1 ASN 70 H -0.02 0.59 0.22 -0.55 8.53 8.78 2dh6A1 ASN 70 HA -0.01 0.16 0.82 -0.75 4.76 4.96 2dh6A1 ASN 70 HB2 -0.01 0.17 -0.32 -0.04 2.88 2.67 2dh6A1 ASN 70 HB3 -0.01 -0.16 0.13 -0.04 2.79 2.71 2dh6A1 ASN 70 HD21 -0.01 -0.07 -0.05 -0.04 7.03 6.86 2dh6A1 ASN 70 HD22 -0.01 0.02 -0.02 -0.04 7.74 7.70 2dh6A1 THR 71 H -0.02 0.06 -0.22 -0.55 8.28 7.55 2dh6A1 THR 71 HA -0.01 0.22 0.71 -0.75 4.39 4.56 2dh6A1 THR 71 HB -0.03 -0.02 -0.01 -0.04 4.32 4.22 2dh6A1 THR 71 HG23 -0.01 -0.04 -0.27 -0.04 1.22 0.85 2dh6A1 THR 72 H 0.00 0.57 0.38 -0.55 8.28 8.69 2dh6A1 THR 72 HA -0.08 0.16 0.83 -0.75 4.39 4.55 2dh6A1 THR 72 HB 0.04 -0.07 0.22 -0.04 4.32 4.47 2dh6A1 THR 72 HG23 -0.09 -0.01 -0.12 -0.04 1.22 0.96 2dh6A1 LEU 73 H -0.12 0.27 0.09 -0.55 8.37 8.05 2dh6A1 LEU 73 HA 0.00 0.25 1.06 -0.75 4.35 4.91 2dh6A1 LEU 73 HB2 -0.03 0.02 -0.10 -0.04 1.64 1.49 2dh6A1 LEU 73 HB3 -0.07 -0.00 0.07 -0.04 1.64 1.60 2dh6A1 LEU 73 HG -0.01 -0.03 -0.38 -0.04 1.64 1.18 2dh6A1 LEU 73 HD13 0.03 0.01 -0.13 -0.04 0.93 0.80 2dh6A1 LEU 73 HD23 -0.01 -0.02 -0.15 -0.04 0.89 0.66 2dh6A1 TYR 74 H 0.13 0.55 0.32 -0.55 8.29 8.73 2dh6A1 TYR 74 HA -0.00 0.21 0.89 -0.75 4.56 4.90 2dh6A1 TYR 74 HB2 0.00 0.10 0.11 -0.04 3.06 3.24 2dh6A1 TYR 74 HB3 0.01 -0.05 -0.23 -0.04 2.98 2.67 2dh6A1 TYR 74 HD2 0.00 0.01 -0.36 -0.04 7.15 6.76 2dh6A1 TYR 74 HE2 0.00 0.03 -0.11 -0.04 6.85 6.73 2dh6A1 LEU 75 H 0.10 0.73 0.25 -0.55 8.37 8.90 2dh6A1 LEU 75 HA 0.06 0.25 1.00 -0.75 4.35 4.90 2dh6A1 LEU 75 HB2 0.03 -0.03 0.05 -0.04 1.64 1.64 2dh6A1 LEU 75 HB3 0.02 -0.05 -0.01 -0.04 1.64 1.56 2dh6A1 LEU 75 HG 0.01 0.11 -0.06 -0.04 1.64 1.66 2dh6A1 LEU 75 HD13 -0.01 -0.01 -0.09 -0.04 0.93 0.78 2dh6A1 LEU 75 HD23 0.02 -0.01 -0.23 -0.04 0.89 0.63 2dh6A1 LYS 76 H 0.04 0.53 0.29 -0.55 8.42 8.72 2dh6A1 LYS 76 HA 0.04 0.20 0.77 -0.75 4.32 4.57 2dh6A1 LYS 76 HB2 0.03 0.07 0.04 -0.04 1.87 1.97 2dh6A1 LYS 76 HB3 0.02 -0.17 0.29 -0.04 1.79 1.89 2dh6A1 LYS 76 HG2 0.03 0.00 -0.02 -0.04 1.46 1.43 2dh6A1 LYS 76 HG3 0.03 -0.10 -0.13 -0.04 1.46 1.23 2dh6A1 LYS 76 HD2 0.02 0.18 -0.10 -0.04 1.69 1.75 2dh6A1 LYS 76 HD3 0.02 0.01 -0.06 -0.04 1.68 1.61 2dh6A1 LYS 76 HE2 0.02 0.14 0.05 -0.04 2.99 3.16 2dh6A1 LYS 76 HE3 0.03 -0.11 -0.09 -0.04 2.99 2.77 2dh6A1 ARG 77 H 0.03 0.71 0.21 -0.55 8.46 8.86 2dh6A1 ARG 77 HA 0.01 -0.05 0.45 -0.75 4.34 3.99 2dh6A1 ARG 77 HB2 0.00 -0.02 0.28 -0.04 1.90 2.12 2dh6A1 ARG 77 HB3 -0.01 -0.07 0.13 -0.04 1.80 1.81 2dh6A1 ARG 77 HG2 0.02 0.13 -0.08 -0.04 1.67 1.71 2dh6A1 ARG 77 HG3 0.01 0.02 -0.04 -0.04 1.67 1.62 2dh6A1 ARG 77 HD2 0.01 -0.08 -0.21 -0.04 3.22 2.90 2dh6A1 ARG 77 HD3 0.01 0.06 -0.06 -0.04 3.22 3.19 2dh6A1 GLU 78 H 0.02 0.52 0.41 -0.55 8.60 9.01 2dh6A1 GLU 78 HA 0.03 0.11 0.63 -0.75 4.29 4.31 2dh6A1 GLU 78 HB2 0.05 0.43 0.28 -0.04 2.09 2.81 2dh6A1 GLU 78 HB3 0.04 -0.09 0.20 -0.04 1.99 2.09 2dh6A1 GLU 78 HG2 0.07 0.02 0.04 -0.04 2.34 2.43 2dh6A1 GLU 78 HG3 0.19 -0.04 0.06 -0.04 2.34 2.51 2dh6A1 ASP 79 H -0.01 -0.01 -0.20 -0.55 8.40 7.62 2dh6A1 ASP 79 HA -0.05 0.08 0.44 -0.75 4.63 4.34 2dh6A1 ASP 79 HB2 -0.03 0.02 0.06 -0.04 2.71 2.72 2dh6A1 ASP 79 HB3 -0.02 -0.14 -0.09 -0.04 2.70 2.42 2dh6A1 LEU 80 H -0.04 0.21 -0.45 -0.55 8.37 7.53 2dh6A1 LEU 80 HA -0.09 0.15 0.71 -0.75 4.35 4.37 2dh6A1 LEU 80 HB2 -0.04 0.07 0.05 -0.04 1.64 1.68 2dh6A1 LEU 80 HB3 -0.07 0.03 0.11 -0.04 1.64 1.67 2dh6A1 LEU 80 HG -0.03 -0.12 -0.04 -0.04 1.64 1.41 2dh6A1 LEU 80 HD13 -0.03 0.01 0.02 -0.04 0.93 0.88 2dh6A1 LEU 80 HD23 -0.05 0.01 -0.14 -0.04 0.89 0.67 2dh6A1 LEU 81 H -0.07 0.18 -0.30 -0.55 8.37 7.63 2dh6A1 LEU 81 HA -0.07 0.12 0.45 -0.75 4.35 4.10 2dh6A1 LEU 81 HB2 -0.11 0.18 0.13 -0.04 1.64 1.80 2dh6A1 LEU 81 HB3 -0.06 -0.01 0.04 -0.04 1.64 1.57 2dh6A1 LEU 81 HG 0.02 0.08 0.05 -0.04 1.64 1.75 2dh6A1 LEU 81 HD13 -0.01 0.02 0.03 -0.04 0.93 0.93 2dh6A1 LEU 81 HD23 -0.00 -0.05 0.09 -0.04 0.89 0.88 2dh6A1 HIS 82 H 0.05 0.14 0.13 -0.55 8.41 8.20 2dh6A1 HIS 82 HA -0.03 0.15 0.73 -0.75 4.63 4.73 2dh6A1 HIS 82 HB2 -0.01 0.04 0.12 -0.04 3.26 3.36 2dh6A1 HIS 82 HB3 -0.01 0.03 0.02 -0.04 3.20 3.20 2dh6A1 HIS 82 HD2 -0.01 0.04 -0.00 -0.04 6.97 6.95 2dh6A1 HIS 82 HE1 -0.01 -0.03 0.01 -0.04 7.75 7.68 2dh6A1 GLY 83 H 0.15 0.13 0.12 -0.55 8.43 8.28 2dh6A1 GLY 83 HA2 -0.00 -0.01 0.32 -0.51 4.01 3.80 2dh6A1 GLY 83 HA3 0.03 0.02 0.33 -0.51 4.01 3.88 2dh6A1 GLY 84 H 0.00 0.08 0.16 -0.55 8.43 8.12 2dh6A1 GLY 84 HA2 0.04 -0.11 0.36 -0.51 4.01 3.79 2dh6A1 GLY 84 HA3 0.03 0.20 0.41 -0.51 4.01 4.13 2dh6A1 ALA 85 H 0.01 0.50 -0.48 -0.55 8.40 7.89 2dh6A1 ALA 85 HA 0.06 0.15 0.43 -0.75 4.34 4.22 2dh6A1 ALA 85 HB3 0.02 0.06 0.11 -0.04 1.41 1.55 2dh6A1 HIS 86 H 0.04 0.09 -0.13 -0.55 8.41 7.86 2dh6A1 HIS 86 HA 0.04 0.18 0.42 -0.75 4.63 4.52 2dh6A1 HIS 86 HB2 0.02 -0.10 0.03 -0.04 3.26 3.18 2dh6A1 HIS 86 HB3 0.02 -0.01 0.05 -0.04 3.20 3.21 2dh6A1 HIS 86 HD2 0.02 0.05 -0.09 -0.04 6.97 6.91 2dh6A1 HIS 86 HE1 -0.01 0.06 0.03 -0.04 7.75 7.79 2dh6A1 LYS 87 H 0.11 0.26 -0.55 -0.55 8.42 7.68 2dh6A1 LYS 87 HA 0.11 0.10 0.60 -0.75 4.32 4.37 2dh6A1 LYS 87 HB2 0.08 0.21 0.09 -0.04 1.87 2.21 2dh6A1 LYS 87 HB3 0.16 -0.03 -0.01 -0.04 1.79 1.87 2dh6A1 LYS 87 HG2 0.09 0.05 -0.01 -0.04 1.46 1.55 2dh6A1 LYS 87 HG3 0.08 -0.09 -0.03 -0.04 1.46 1.39 2dh6A1 LYS 87 HD2 0.07 0.01 -0.05 -0.04 1.69 1.68 2dh6A1 LYS 87 HD3 0.12 -0.10 -0.03 -0.04 1.68 1.63 2dh6A1 LYS 87 HE2 0.04 0.06 0.00 -0.04 2.99 3.05 2dh6A1 LYS 87 HE3 0.05 0.03 0.02 -0.04 2.99 3.04 2dh6A1 THR 88 H 0.08 0.52 0.07 -0.55 8.28 8.40 2dh6A1 THR 88 HA 0.03 -0.03 0.38 -0.75 4.39 4.02 2dh6A1 THR 88 HB 0.07 0.19 0.18 -0.04 4.32 4.73 2dh6A1 THR 88 HG23 0.05 0.03 -0.06 -0.04 1.22 1.20 2dh6A1 ASN 89 H 0.11 0.30 -0.44 -0.55 8.53 7.96 2dh6A1 ASN 89 HA 0.13 0.03 0.39 -0.75 4.76 4.56 2dh6A1 ASN 89 HB2 0.10 0.19 0.16 -0.04 2.88 3.30 2dh6A1 ASN 89 HB3 0.13 0.28 0.12 -0.04 2.79 3.28 2dh6A1 ASN 89 HD21 0.08 -0.00 -0.04 -0.04 7.03 7.03 2dh6A1 ASN 89 HD22 -0.05 -0.06 0.09 -0.04 7.74 7.68 2dh6A1 GLN 90 H 0.12 0.22 -0.06 -0.55 8.47 8.20 2dh6A1 GLN 90 HA 0.23 0.13 0.63 -0.75 4.36 4.59 2dh6A1 GLN 90 HB2 0.21 -0.04 0.08 -0.04 2.15 2.35 2dh6A1 GLN 90 HB3 0.14 0.02 0.07 -0.04 2.02 2.20 2dh6A1 GLN 90 HG2 0.12 0.07 0.02 -0.04 2.40 2.57 2dh6A1 GLN 90 HG3 0.11 0.02 -0.15 -0.04 2.39 2.33 2dh6A1 GLN 90 HE21 -0.03 0.40 0.18 -0.04 6.97 7.48 2dh6A1 GLN 90 HE22 0.04 -0.12 0.17 -0.04 7.69 7.74 2dh6A1 VAL 91 H 0.07 0.43 -0.24 -0.55 8.24 7.95 2dh6A1 VAL 91 HA 0.04 0.05 0.48 -0.75 4.13 3.94 2dh6A1 VAL 91 HB -0.05 -0.01 -0.10 -0.04 2.12 1.91 2dh6A1 VAL 91 HG13 -0.01 0.01 -0.13 -0.04 0.97 0.79 2dh6A1 VAL 91 HG23 -0.02 0.03 -0.11 -0.04 0.95 0.81 2dh6A1 LEU 92 H 0.02 0.71 -0.09 -0.55 8.37 8.46 2dh6A1 LEU 92 HA -0.06 0.02 0.41 -0.75 4.35 3.96 2dh6A1 LEU 92 HB2 0.17 0.14 0.14 -0.04 1.64 2.04 2dh6A1 LEU 92 HB3 0.10 -0.04 -0.02 -0.04 1.64 1.64 2dh6A1 LEU 92 HG 0.03 0.16 0.06 -0.04 1.64 1.85 2dh6A1 LEU 92 HD13 0.09 -0.03 -0.28 -0.04 0.93 0.67 2dh6A1 LEU 92 HD23 -0.08 -0.02 -0.03 -0.04 0.89 0.72 2dh6A1 GLY 93 H -0.26 0.41 -0.24 -0.55 8.43 7.80 2dh6A1 GLY 93 HA2 -1.67 0.02 0.35 -0.51 4.01 2.20 2dh6A1 GLY 93 HA3 -2.43 0.06 0.28 -0.51 4.01 1.41 2dh6A1 GLN 94 H -0.17 0.59 -0.12 -0.55 8.47 8.23 2dh6A1 GLN 94 HA 0.01 0.02 0.50 -0.75 4.36 4.14 2dh6A1 GLN 94 HB2 0.09 0.01 0.10 -0.04 2.15 2.31 2dh6A1 GLN 94 HB3 0.16 -0.05 -0.04 -0.04 2.02 2.04 2dh6A1 GLN 94 HG2 0.24 -0.06 -0.03 -0.04 2.40 2.51 2dh6A1 GLN 94 HG3 0.26 0.26 0.07 -0.04 2.39 2.94 2dh6A1 GLN 94 HE21 0.07 0.15 0.01 -0.04 6.97 7.16 2dh6A1 GLN 94 HE22 0.16 0.04 -0.10 -0.04 7.69 7.75 2dh6A1 ALA 95 H -0.08 1.06 -0.01 -0.55 8.40 8.83 2dh6A1 ALA 95 HA -0.01 -0.03 0.31 -0.75 4.34 3.86 2dh6A1 ALA 95 HB3 -0.06 0.01 -0.02 -0.04 1.41 1.30 2dh6A1 LEU 96 H -0.14 0.59 -0.27 -0.55 8.37 8.01 2dh6A1 LEU 96 HA -0.03 0.03 0.33 -0.75 4.35 3.93 2dh6A1 LEU 96 HB2 -0.27 0.30 0.16 -0.04 1.64 1.79 2dh6A1 LEU 96 HB3 -0.15 -0.03 -0.08 -0.04 1.64 1.34 2dh6A1 LEU 96 HG -0.13 0.01 -0.03 -0.04 1.64 1.45 2dh6A1 LEU 96 HD13 -0.49 -0.04 -0.16 -0.04 0.93 0.20 2dh6A1 LEU 96 HD23 -0.04 -0.01 0.01 -0.04 0.89 0.80 2dh6A1 LEU 97 H 0.01 0.42 -0.21 -0.55 8.37 8.05 2dh6A1 LEU 97 HA 0.15 -0.00 0.42 -0.75 4.35 4.16 2dh6A1 LEU 97 HB2 0.22 0.08 0.12 -0.04 1.64 2.02 2dh6A1 LEU 97 HB3 -0.08 0.06 0.14 -0.04 1.64 1.72 2dh6A1 LEU 97 HG -0.06 -0.00 -0.16 -0.04 1.64 1.37 2dh6A1 LEU 97 HD13 -0.11 -0.01 -0.06 -0.04 0.93 0.71 2dh6A1 LEU 97 HD23 0.08 -0.02 -0.05 -0.04 0.89 0.86 2dh6A1 ALA 98 H -0.11 0.69 -0.20 -0.55 8.40 8.23 2dh6A1 ALA 98 HA -0.04 -0.03 0.41 -0.75 4.34 3.93 2dh6A1 ALA 98 HB3 -0.00 0.02 0.02 -0.04 1.41 1.40 2dh6A1 LYS 99 H 0.01 0.56 -0.09 -0.55 8.42 8.35 2dh6A1 LYS 99 HA 0.03 0.15 0.36 -0.75 4.32 4.10 2dh6A1 LYS 99 HB2 0.01 0.07 0.17 -0.04 1.87 2.08 2dh6A1 LYS 99 HB3 0.03 -0.04 -0.05 -0.04 1.79 1.69 2dh6A1 LYS 99 HG2 0.01 0.07 0.01 -0.04 1.46 1.51 2dh6A1 LYS 99 HG3 -0.00 -0.05 0.01 -0.04 1.46 1.38 2dh6A1 LYS 99 HD2 0.01 -0.09 -0.01 -0.04 1.69 1.56 2dh6A1 LYS 99 HD3 0.02 -0.02 0.03 -0.04 1.68 1.67 2dh6A1 LYS 99 HE2 -0.00 0.04 0.06 -0.04 2.99 3.04 2dh6A1 LYS 99 HE3 0.01 -0.12 0.02 -0.04 2.99 2.86 2dh6A1 ARG 100 H 0.06 0.46 -0.33 -0.55 8.46 8.09 2dh6A1 ARG 100 HA 0.06 -0.02 0.39 -0.75 4.34 4.01 2dh6A1 ARG 100 HB2 0.13 0.04 0.16 -0.04 1.90 2.19 2dh6A1 ARG 100 HB3 0.02 0.18 0.19 -0.04 1.80 2.15 2dh6A1 ARG 100 HG2 -0.05 -0.03 -0.02 -0.04 1.67 1.53 2dh6A1 ARG 100 HG3 0.02 -0.01 0.03 -0.04 1.67 1.67 2dh6A1 ARG 100 HD2 0.17 0.00 0.02 -0.04 3.22 3.37 2dh6A1 ARG 100 HD3 0.03 -0.02 0.02 -0.04 3.22 3.20 2dh6A1 MET 101 H 0.02 0.50 -0.07 -0.55 8.47 8.37 2dh6A1 MET 101 HA 0.03 -0.03 0.34 -0.75 4.52 4.10 2dh6A1 MET 101 HB2 0.06 0.04 0.11 -0.04 2.15 2.32 2dh6A1 MET 101 HB3 0.07 -0.05 0.13 -0.04 2.03 2.15 2dh6A1 MET 101 HG2 0.02 -0.06 0.07 -0.04 2.63 2.61 2dh6A1 MET 101 HG3 0.00 0.19 0.06 -0.04 2.56 2.77 2dh6A1 MET 101 HE3 0.11 -0.03 -0.06 -0.04 2.10 2.08 2dh6A1 GLY 102 H 0.04 0.39 -1.16 -0.55 8.43 7.15 2dh6A1 GLY 102 HA2 0.04 0.08 0.34 -0.51 4.01 3.95 2dh6A1 GLY 102 HA3 0.04 -0.06 0.47 -0.51 4.01 3.95 2dh6A1 LYS 103 H 0.06 0.42 -0.24 -0.55 8.42 8.11 2dh6A1 LYS 103 HA 0.09 0.06 0.39 -0.75 4.32 4.11 2dh6A1 LYS 103 HB2 0.10 -0.08 -0.19 -0.04 1.87 1.66 2dh6A1 LYS 103 HB3 0.14 -0.00 -0.05 -0.04 1.79 1.84 2dh6A1 LYS 103 HG2 0.11 0.09 -0.09 -0.04 1.46 1.53 2dh6A1 LYS 103 HG3 0.21 -0.17 -0.16 -0.04 1.46 1.30 2dh6A1 LYS 103 HD2 0.21 -0.17 -0.61 -0.04 1.69 1.07 2dh6A1 LYS 103 HD3 0.13 0.14 -0.25 -0.04 1.68 1.66 2dh6A1 LYS 103 HE2 0.19 -0.09 -0.10 -0.04 2.99 2.95 2dh6A1 LYS 103 HE3 0.33 -0.02 -0.17 -0.04 2.99 3.08 2dh6A1 THR 104 H 0.08 0.50 0.41 -0.55 8.28 8.72 2dh6A1 THR 104 HA 0.04 0.27 0.98 -0.75 4.39 4.92 2dh6A1 THR 104 HB 0.03 -0.08 0.10 -0.04 4.32 4.33 2dh6A1 THR 104 HG23 0.03 0.04 -0.07 -0.04 1.22 1.18 2dh6A1 GLU 105 H 0.09 0.43 0.44 -0.55 8.60 9.02 2dh6A1 GLU 105 HA 0.04 0.23 1.08 -0.75 4.29 4.89 2dh6A1 GLU 105 HB2 0.09 -0.11 -0.10 -0.04 2.09 1.93 2dh6A1 GLU 105 HB3 0.05 0.08 0.11 -0.04 1.99 2.19 2dh6A1 GLU 105 HG2 0.04 -0.00 -0.07 -0.04 2.34 2.26 2dh6A1 GLU 105 HG3 0.05 -0.05 -0.38 -0.04 2.34 1.91 2dh6A1 ILE 106 H 0.04 0.77 0.39 -0.55 8.25 8.90 2dh6A1 ILE 106 HA 0.08 0.22 0.94 -0.75 4.18 4.68 2dh6A1 ILE 106 HB 0.02 0.05 -0.14 -0.04 1.89 1.77 2dh6A1 ILE 106 HG12 0.14 -0.01 -0.04 -0.04 1.49 1.54 2dh6A1 ILE 106 HG13 0.09 0.07 -0.45 -0.04 1.21 0.88 2dh6A1 ILE 106 HG23 -0.01 -0.04 -0.26 -0.04 0.93 0.58 2dh6A1 ILE 106 HD13 0.04 0.00 -0.18 -0.04 0.88 0.70 2dh6A1 ILE 107 H 0.03 0.67 0.35 -0.55 8.25 8.74 2dh6A1 ILE 107 HA 0.08 0.37 1.06 -0.75 4.18 4.92 2dh6A1 ILE 107 HB 0.11 -0.04 0.03 -0.04 1.89 1.95 2dh6A1 ILE 107 HG12 0.18 0.02 -0.07 -0.04 1.49 1.59 2dh6A1 ILE 107 HG13 0.13 -0.00 -0.44 -0.04 1.21 0.86 2dh6A1 ILE 107 HG23 0.24 -0.01 -0.12 -0.04 0.93 1.00 2dh6A1 ILE 107 HD13 0.25 0.00 -0.25 -0.04 0.88 0.85 2dh6A1 ALA 108 H 0.08 0.60 0.43 -0.55 8.40 8.97 2dh6A1 ALA 108 HA 0.15 0.17 0.80 -0.75 4.34 4.70 2dh6A1 ALA 108 HB3 -0.01 0.01 -0.10 -0.04 1.41 1.27 2dh6A1 GLU 109 H 0.19 0.21 0.21 -0.55 8.60 8.67 2dh6A1 GLU 109 HA 0.16 0.46 0.97 -0.75 4.29 5.12 2dh6A1 GLU 109 HB2 0.12 -0.06 -0.18 -0.04 2.09 1.93 2dh6A1 GLU 109 HB3 0.18 0.06 -0.10 -0.04 1.99 2.08 2dh6A1 GLU 109 HG2 0.07 -0.07 -0.44 -0.04 2.34 1.86 2dh6A1 GLU 109 HG3 0.06 -0.06 -0.15 -0.04 2.34 2.14 2dh6A1 THR 110 H 0.08 0.50 0.26 -0.55 8.28 8.58 2dh6A1 THR 110 HA 0.09 0.00 0.66 -0.75 4.39 4.39 2dh6A1 THR 110 HB 0.07 0.14 -0.37 -0.04 4.32 4.12 2dh6A1 THR 110 HG23 0.03 0.11 -0.25 -0.04 1.22 1.07 2dh6A1 GLY 111 H 0.04 -0.06 0.13 -0.55 8.43 7.99 2dh6A1 GLY 111 HA2 0.02 0.18 0.93 -0.51 4.01 4.63 2dh6A1 GLY 111 HA3 0.02 0.01 0.41 -0.51 4.01 3.93 2dh6A1 ALA 112 H 0.03 0.04 0.21 -0.55 8.40 8.13 2dh6A1 ALA 112 HA 0.02 0.26 0.50 -0.75 4.34 4.37 2dh6A1 ALA 112 HB3 0.02 -0.02 0.15 -0.04 1.41 1.52 2dh6A1 GLY 113 H 0.04 -0.23 -0.14 -0.55 8.43 7.55 2dh6A1 GLY 113 HA2 0.02 0.02 0.09 -0.51 4.01 3.64 2dh6A1 GLY 113 HA3 0.02 0.40 0.76 -0.51 4.01 4.68 2dh6A1 GLN 114 H 0.03 0.01 -0.07 -0.55 8.47 7.89 2dh6A1 GLN 114 HA 0.02 0.23 0.36 -0.75 4.36 4.21 2dh6A1 GLN 114 HB2 0.05 -0.15 0.17 -0.04 2.15 2.17 2dh6A1 GLN 114 HB3 0.04 0.08 0.00 -0.04 2.02 2.10 2dh6A1 GLN 114 HG2 0.02 0.14 -0.04 -0.04 2.40 2.48 2dh6A1 GLN 114 HG3 0.02 -0.01 -0.00 -0.04 2.39 2.36 2dh6A1 GLN 114 HE21 0.02 -0.09 0.04 -0.04 6.97 6.90 2dh6A1 GLN 114 HE22 0.02 0.13 -0.13 -0.04 7.69 7.66 2dh6A1 HIS 115 H 0.13 -0.03 -0.00 -0.55 8.41 7.95 2dh6A1 HIS 115 HA -0.01 0.14 0.32 -0.75 4.63 4.33 2dh6A1 HIS 115 HB2 -0.01 -0.05 0.13 -0.04 3.26 3.29 2dh6A1 HIS 115 HB3 -0.01 -0.09 0.13 -0.04 3.20 3.18 2dh6A1 HIS 115 HD2 -0.02 0.00 0.00 -0.04 6.97 6.91 2dh6A1 HIS 115 HE1 -0.15 0.39 -0.20 -0.04 7.75 7.74 2dh6A1 GLY 116 H 0.04 -0.14 -0.41 -0.55 8.43 7.37 2dh6A1 GLY 116 HA2 -0.12 0.09 0.20 -0.51 4.01 3.67 2dh6A1 GLY 116 HA3 -0.03 0.05 0.09 -0.51 4.01 3.61 2dh6A1 VAL 117 H -0.03 0.56 -0.18 -0.55 8.24 8.04 2dh6A1 VAL 117 HA -0.06 0.05 0.33 -0.75 4.13 3.69 2dh6A1 VAL 117 HB -0.02 0.05 0.09 -0.04 2.12 2.19 2dh6A1 VAL 117 HG13 -0.04 0.00 -0.10 -0.04 0.97 0.80 2dh6A1 VAL 117 HG23 -0.02 0.07 0.04 -0.04 0.95 1.00 2dh6A1 ALA 118 H -0.08 0.36 -0.35 -0.55 8.40 7.78 2dh6A1 ALA 118 HA -0.05 0.08 0.47 -0.75 4.34 4.08 2dh6A1 ALA 118 HB3 -0.06 -0.00 -0.03 -0.04 1.41 1.29 2dh6A1 SER 119 H -0.25 0.54 -0.08 -0.55 8.46 8.13 2dh6A1 SER 119 HA -0.14 0.03 0.31 -0.75 4.49 3.93 2dh6A1 SER 119 HB2 -0.16 0.06 -0.06 -0.04 3.95 3.75 2dh6A1 SER 119 HB3 -0.14 -0.01 -0.11 -0.04 3.93 3.63 2dh6A1 ALA 120 H -0.10 0.52 -0.21 -0.55 8.40 8.06 2dh6A1 ALA 120 HA -0.07 0.05 0.33 -0.75 4.34 3.91 2dh6A1 ALA 120 HB3 -0.07 0.02 0.03 -0.04 1.41 1.35 2dh6A1 LEU 121 H -0.08 0.39 -0.23 -0.55 8.37 7.91 2dh6A1 LEU 121 HA -0.08 0.05 0.38 -0.75 4.35 3.95 2dh6A1 LEU 121 HB2 -0.05 0.04 0.14 -0.04 1.64 1.72 2dh6A1 LEU 121 HB3 -0.07 0.06 0.22 -0.04 1.64 1.81 2dh6A1 LEU 121 HG -0.05 -0.00 -0.01 -0.04 1.64 1.53 2dh6A1 LEU 121 HD13 0.01 -0.01 0.01 -0.04 0.93 0.90 2dh6A1 LEU 121 HD23 -0.15 -0.01 -0.33 -0.04 0.89 0.37 2dh6A1 ALA 122 H -0.09 0.60 -0.06 -0.55 8.40 8.30 2dh6A1 ALA 122 HA -0.16 -0.01 0.31 -0.75 4.34 3.72 2dh6A1 ALA 122 HB3 -0.08 -0.01 -0.04 -0.04 1.41 1.23 2dh6A1 SER 123 H -0.08 0.48 -0.53 -0.55 8.46 7.79 2dh6A1 SER 123 HA -0.05 -0.07 0.26 -0.75 4.49 3.89 2dh6A1 SER 123 HB2 -0.06 0.07 0.19 -0.04 3.95 4.11 2dh6A1 SER 123 HB3 -0.04 0.18 -0.09 -0.04 3.93 3.94 2dh6A1 ALA 124 H -0.07 0.75 0.09 -0.55 8.40 8.62 2dh6A1 ALA 124 HA -0.04 0.04 0.40 -0.75 4.34 3.98 2dh6A1 ALA 124 HB3 -0.06 0.02 0.16 -0.04 1.41 1.49 2dh6A1 LEU 125 H -0.12 0.53 -0.15 -0.55 8.37 8.09 2dh6A1 LEU 125 HA -0.10 -0.03 0.38 -0.75 4.35 3.84 2dh6A1 LEU 125 HB2 -0.27 0.14 0.12 -0.04 1.64 1.58 2dh6A1 LEU 125 HB3 -0.20 0.08 0.15 -0.04 1.64 1.63 2dh6A1 LEU 125 HG -0.26 -0.02 -0.08 -0.04 1.64 1.24 2dh6A1 LEU 125 HD13 -0.20 -0.01 0.01 -0.04 0.93 0.69 2dh6A1 LEU 125 HD23 -1.09 -0.03 -0.05 -0.04 0.89 -0.32 2dh6A1 LEU 126 H -0.09 0.53 -0.04 -0.55 8.37 8.23 2dh6A1 LEU 126 HA -0.04 0.05 0.53 -0.75 4.35 4.14 2dh6A1 LEU 126 HB2 -0.04 0.01 -0.07 -0.04 1.64 1.50 2dh6A1 LEU 126 HB3 -0.03 -0.03 0.08 -0.04 1.64 1.62 2dh6A1 LEU 126 HG -0.09 0.17 0.04 -0.04 1.64 1.71 2dh6A1 LEU 126 HD13 -0.05 -0.03 -0.26 -0.04 0.93 0.55 2dh6A1 LEU 126 HD23 -0.07 -0.02 -0.10 -0.04 0.89 0.66 2dh6A1 GLY 127 H -0.04 0.38 -0.89 -0.55 8.43 7.33 2dh6A1 GLY 127 HA2 -0.02 0.05 0.32 -0.51 4.01 3.84 2dh6A1 GLY 127 HA3 -0.01 -0.08 0.34 -0.51 4.01 3.75 2dh6A1 LEU 128 H -0.02 0.60 -0.02 -0.55 8.37 8.38 2dh6A1 LEU 128 HA 0.01 0.29 0.88 -0.75 4.35 4.77 2dh6A1 LEU 128 HB2 -0.01 -0.12 -0.13 -0.04 1.64 1.35 2dh6A1 LEU 128 HB3 0.02 -0.08 -0.33 -0.04 1.64 1.21 2dh6A1 LEU 128 HG -0.00 0.10 -0.45 -0.04 1.64 1.25 2dh6A1 LEU 128 HD13 0.01 -0.04 -0.21 -0.04 0.93 0.65 2dh6A1 LEU 128 HD23 0.03 0.01 -0.26 -0.04 0.89 0.62 2dh6A1 LYS 129 H 0.02 0.71 0.37 -0.55 8.42 8.96 2dh6A1 LYS 129 HA -0.00 0.10 0.60 -0.75 4.32 4.26 2dh6A1 LYS 129 HB2 0.02 0.05 0.24 -0.04 1.87 2.14 2dh6A1 LYS 129 HB3 0.01 -0.07 -0.01 -0.04 1.79 1.68 2dh6A1 LYS 129 HG2 0.00 0.03 0.02 -0.04 1.46 1.47 2dh6A1 LYS 129 HG3 0.01 0.10 0.04 -0.04 1.46 1.56 2dh6A1 LYS 129 HD2 0.01 -0.01 -0.00 -0.04 1.69 1.65 2dh6A1 LYS 129 HD3 0.01 -0.06 -0.01 -0.04 1.68 1.58 2dh6A1 LYS 129 HE2 0.01 0.04 0.00 -0.04 2.99 3.00 2dh6A1 LYS 129 HE3 0.01 -0.06 -0.01 -0.04 2.99 2.89 2dh6A1 CYS 130 H -0.02 0.27 0.18 -0.55 8.50 8.38 2dh6A1 CYS 130 HA -0.01 0.20 1.03 -0.75 4.58 5.05 2dh6A1 CYS 130 HB2 -0.03 0.12 -0.18 -0.04 2.97 2.84 2dh6A1 CYS 130 HB3 -0.04 0.01 0.06 -0.04 2.97 2.97 2dh6A1 ARG 131 H -0.02 0.77 0.38 -0.55 8.46 9.04 2dh6A1 ARG 131 HA -0.09 0.22 1.03 -0.75 4.34 4.74 2dh6A1 ARG 131 HB2 -0.20 -0.05 0.03 -0.04 1.90 1.64 2dh6A1 ARG 131 HB3 -0.06 0.05 -0.00 -0.04 1.80 1.75 2dh6A1 ARG 131 HG2 0.01 0.10 0.01 -0.04 1.67 1.75 2dh6A1 ARG 131 HG3 -0.02 -0.11 0.12 -0.04 1.67 1.62 2dh6A1 ARG 131 HD2 -0.04 -0.05 -0.07 -0.04 3.22 3.02 2dh6A1 ARG 131 HD3 0.00 0.04 -0.08 -0.04 3.22 3.14 2dh6A1 ILE 132 H -0.14 0.77 0.28 -0.55 8.25 8.61 2dh6A1 ILE 132 HA -0.07 0.33 1.20 -0.75 4.18 4.88 2dh6A1 ILE 132 HB -0.06 -0.02 -0.01 -0.04 1.89 1.75 2dh6A1 ILE 132 HG12 -0.06 0.01 -0.32 -0.04 1.49 1.08 2dh6A1 ILE 132 HG13 -0.07 -0.03 -0.46 -0.04 1.21 0.61 2dh6A1 ILE 132 HG23 -0.00 -0.04 -0.42 -0.04 0.93 0.43 2dh6A1 ILE 132 HD13 -0.07 -0.04 -0.19 -0.04 0.88 0.54 2dh6A1 TYR 133 H 0.03 0.49 0.38 -0.55 8.29 8.64 2dh6A1 TYR 133 HA 0.02 0.28 0.68 -0.75 4.56 4.78 2dh6A1 TYR 133 HB2 0.03 -0.02 0.19 -0.04 3.06 3.21 2dh6A1 TYR 133 HB3 0.01 -0.12 0.08 -0.04 2.98 2.91 2dh6A1 TYR 133 HD2 0.02 0.01 -0.03 -0.04 7.15 7.11 2dh6A1 TYR 133 HE2 0.03 0.03 -0.06 -0.04 6.85 6.80 2dh6A1 MET 134 H 0.09 0.65 0.26 -0.55 8.47 8.92 2dh6A1 MET 134 HA 0.05 0.02 0.71 -0.75 4.52 4.55 2dh6A1 MET 134 HB2 0.02 0.04 -0.36 -0.04 2.15 1.81 2dh6A1 MET 134 HB3 0.01 0.06 -0.14 -0.04 2.03 1.92 2dh6A1 MET 134 HG2 0.00 0.03 -0.27 -0.04 2.63 2.36 2dh6A1 MET 134 HG3 0.02 0.06 -0.07 -0.04 2.56 2.54 2dh6A1 MET 134 HE3 0.02 0.00 -0.44 -0.04 2.10 1.64 2dh6A1 GLY 135 H 0.02 0.10 0.04 -0.55 8.43 8.04 2dh6A1 GLY 135 HA2 -0.03 0.11 0.43 -0.51 4.01 4.01 2dh6A1 GLY 135 HA3 -0.02 -0.09 0.08 -0.51 4.01 3.47 2dh6A1 ALA 136 H -0.17 0.77 0.37 -0.55 8.40 8.82 2dh6A1 ALA 136 HA -0.18 0.05 0.37 -0.75 4.34 3.83 2dh6A1 ALA 136 HB3 -0.53 0.02 0.05 -0.04 1.41 0.91 2dh6A1 LYS 137 H -0.05 0.40 -0.01 -0.55 8.42 8.20 2dh6A1 LYS 137 HA -0.01 0.08 0.46 -0.75 4.32 4.10 2dh6A1 LYS 137 HB2 -0.01 -0.01 0.18 -0.04 1.87 2.00 2dh6A1 LYS 137 HB3 -0.00 -0.03 0.04 -0.04 1.79 1.77 2dh6A1 LYS 137 HG2 0.00 -0.01 0.09 -0.04 1.46 1.51 2dh6A1 LYS 137 HG3 -0.01 0.03 0.18 -0.04 1.46 1.62 2dh6A1 LYS 137 HD2 0.00 -0.00 0.04 -0.04 1.69 1.69 2dh6A1 LYS 137 HD3 0.00 -0.07 0.05 -0.04 1.68 1.62 2dh6A1 LYS 137 HE2 0.01 -0.05 0.05 -0.04 2.99 2.96 2dh6A1 LYS 137 HE3 0.01 0.07 0.08 -0.04 2.99 3.11 2dh6A1 ASP 138 H -0.02 0.13 -0.19 -0.55 8.40 7.77 2dh6A1 ASP 138 HA 0.00 0.05 0.42 -0.75 4.63 4.35 2dh6A1 ASP 138 HB2 0.00 0.05 0.09 -0.04 2.71 2.81 2dh6A1 ASP 138 HB3 0.01 0.27 0.02 -0.04 2.70 2.95 2dh6A1 VAL 139 H -0.02 0.53 -0.22 -0.55 8.24 7.98 2dh6A1 VAL 139 HA 0.00 0.00 0.18 -0.75 4.13 3.56 2dh6A1 VAL 139 HB -0.02 0.13 0.03 -0.04 2.12 2.22 2dh6A1 VAL 139 HG13 0.01 -0.01 -0.11 -0.04 0.97 0.82 2dh6A1 VAL 139 HG23 -0.03 0.07 -0.23 -0.04 0.95 0.73 2dh6A1 GLU 140 H -0.01 0.32 -0.43 -0.55 8.60 7.94 2dh6A1 GLU 140 HA 0.01 0.04 0.47 -0.75 4.29 4.06 2dh6A1 GLU 140 HB2 0.00 0.13 0.23 -0.04 2.09 2.41 2dh6A1 GLU 140 HB3 0.01 -0.03 -0.01 -0.04 1.99 1.92 2dh6A1 GLU 140 HG2 0.01 -0.02 0.04 -0.04 2.34 2.33 2dh6A1 GLU 140 HG3 0.01 -0.01 0.03 -0.04 2.34 2.33 2dh6A1 ARG 141 H 0.00 0.55 0.06 -0.55 8.46 8.53 2dh6A1 ARG 141 HA 0.01 0.08 0.58 -0.75 4.34 4.25 2dh6A1 ARG 141 HB2 0.01 -0.05 0.22 -0.04 1.90 2.04 2dh6A1 ARG 141 HB3 0.01 -0.01 0.15 -0.04 1.80 1.91 2dh6A1 ARG 141 HG2 0.01 0.15 0.11 -0.04 1.67 1.89 2dh6A1 ARG 141 HG3 0.01 0.00 0.04 -0.04 1.67 1.68 2dh6A1 ARG 141 HD2 0.01 -0.09 0.01 -0.04 3.22 3.11 2dh6A1 ARG 141 HD3 0.01 0.00 0.05 -0.04 3.22 3.24 2dh6A1 GLN 142 H 0.01 0.32 -0.99 -0.55 8.47 7.26 2dh6A1 GLN 142 HA 0.02 0.06 0.72 -0.75 4.36 4.40 2dh6A1 GLN 142 HB2 0.02 0.30 -0.10 -0.04 2.15 2.32 2dh6A1 GLN 142 HB3 0.02 -0.22 0.16 -0.04 2.02 1.94 2dh6A1 GLN 142 HG2 0.01 -0.01 -0.44 -0.04 2.40 1.92 2dh6A1 GLN 142 HG3 0.02 -0.05 -0.02 -0.04 2.39 2.30 2dh6A1 GLN 142 HE21 0.02 -0.12 0.14 -0.04 6.97 6.97 2dh6A1 GLN 142 HE22 0.02 -0.12 0.11 -0.04 7.69 7.66 2dh6A1 SER 143 H 0.02 0.23 0.09 -0.55 8.46 8.25 2dh6A1 SER 143 HA 0.03 0.09 0.40 -0.75 4.49 4.26 2dh6A1 SER 143 HB2 0.00 0.01 0.02 -0.04 3.95 3.94 2dh6A1 SER 143 HB3 -0.00 0.03 0.14 -0.04 3.93 4.06 2dh6A1 PRO 144 HA 0.14 0.09 0.42 -0.51 4.44 4.57 2dh6A1 PRO 144 HB2 0.04 -0.07 0.09 -0.04 2.28 2.30 2dh6A1 PRO 144 HB3 0.06 0.07 0.04 -0.04 2.02 2.14 2dh6A1 PRO 144 HG2 0.03 0.06 0.04 -0.04 2.03 2.11 2dh6A1 PRO 144 HG3 0.04 0.07 0.05 -0.04 2.03 2.15 2dh6A1 PRO 144 HD2 0.03 0.07 -0.22 -0.04 3.68 3.52 2dh6A1 PRO 144 HD3 0.02 0.10 0.08 -0.04 3.65 3.82 2dh6A1 ASN 145 H 0.04 0.21 -0.04 -0.55 8.53 8.20 2dh6A1 ASN 145 HA 0.01 0.05 0.46 -0.75 4.76 4.53 2dh6A1 ASN 145 HB2 0.02 0.19 0.15 -0.04 2.88 3.20 2dh6A1 ASN 145 HB3 0.01 -0.06 -0.01 -0.04 2.79 2.69 2dh6A1 ASN 145 HD21 0.02 -0.09 -0.20 -0.04 7.03 6.71 2dh6A1 ASN 145 HD22 0.02 0.35 -0.13 -0.04 7.74 7.94 2dh6A1 VAL 146 H 0.05 0.55 -0.21 -0.55 8.24 8.08 2dh6A1 VAL 146 HA 0.02 -0.04 0.40 -0.75 4.13 3.77 2dh6A1 VAL 146 HB 0.06 0.16 0.09 -0.04 2.12 2.38 2dh6A1 VAL 146 HG13 0.04 -0.01 -0.13 -0.04 0.97 0.83 2dh6A1 VAL 146 HG23 0.02 0.02 -0.08 -0.04 0.95 0.87 2dh6A1 PHE 147 H 0.19 0.70 -0.03 -0.55 8.34 8.64 2dh6A1 PHE 147 HA -0.01 0.01 0.41 -0.75 4.62 4.29 2dh6A1 PHE 147 HB2 -0.00 -0.01 0.09 -0.04 3.15 3.18 2dh6A1 PHE 147 HB3 -0.01 0.14 0.17 -0.04 3.06 3.32 2dh6A1 PHE 147 HD2 -0.01 -0.01 0.03 -0.04 7.28 7.25 2dh6A1 PHE 147 HE2 -0.00 0.00 -0.01 -0.04 7.38 7.33 2dh6A1 PHE 147 HZ -0.00 0.01 -0.01 -0.04 7.32 7.28 2dh6A1 ARG 148 H 0.02 0.41 -0.23 -0.55 8.46 8.10 2dh6A1 ARG 148 HA -0.29 0.06 0.43 -0.75 4.34 3.79 2dh6A1 ARG 148 HB2 -0.04 0.03 0.22 -0.04 1.90 2.07 2dh6A1 ARG 148 HB3 -0.08 -0.02 -0.05 -0.04 1.80 1.62 2dh6A1 ARG 148 HG2 -0.10 0.01 0.01 -0.04 1.67 1.54 2dh6A1 ARG 148 HG3 -0.01 0.12 -0.01 -0.04 1.67 1.73 2dh6A1 ARG 148 HD2 -0.02 -0.09 -0.06 -0.04 3.22 3.01 2dh6A1 ARG 148 HD3 -0.05 0.03 -0.04 -0.04 3.22 3.12 2dh6A1 MET 149 H -0.04 0.65 -0.05 -0.55 8.47 8.48 2dh6A1 MET 149 HA -0.07 0.01 0.31 -0.75 4.52 4.02 2dh6A1 MET 149 HB2 -0.03 0.10 0.02 -0.04 2.15 2.20 2dh6A1 MET 149 HB3 -0.05 -0.05 -0.17 -0.04 2.03 1.72 2dh6A1 MET 149 HG2 -0.05 -0.07 -0.30 -0.04 2.63 2.18 2dh6A1 MET 149 HG3 -0.02 0.42 0.02 -0.04 2.56 2.93 2dh6A1 MET 149 HE3 0.00 -0.01 -0.33 -0.04 2.10 1.72 2dh6A1 ARG 150 H -0.03 0.50 -0.26 -0.55 8.46 8.12 2dh6A1 ARG 150 HA -0.03 0.26 0.36 -0.75 4.34 4.18 2dh6A1 ARG 150 HB2 0.04 0.06 0.16 -0.04 1.90 2.13 2dh6A1 ARG 150 HB3 0.03 -0.02 0.00 -0.04 1.80 1.78 2dh6A1 ARG 150 HG2 0.01 0.05 0.05 -0.04 1.67 1.73 2dh6A1 ARG 150 HG3 0.01 -0.05 0.01 -0.04 1.67 1.61 2dh6A1 ARG 150 HD2 0.08 0.00 -0.05 -0.04 3.22 3.21 2dh6A1 ARG 150 HD3 0.05 -0.01 0.00 -0.04 3.22 3.23 2dh6A1 LEU 151 H -0.22 0.63 -0.11 -0.55 8.37 8.11 2dh6A1 LEU 151 HA -0.15 -0.03 0.38 -0.75 4.35 3.80 2dh6A1 LEU 151 HB2 -0.54 0.27 0.31 -0.04 1.64 1.64 2dh6A1 LEU 151 HB3 -0.27 0.01 0.02 -0.04 1.64 1.36 2dh6A1 LEU 151 HG -0.26 -0.03 0.03 -0.04 1.64 1.34 2dh6A1 LEU 151 HD13 -0.23 -0.01 0.05 -0.04 0.93 0.70 2dh6A1 LEU 151 HD23 -1.13 -0.02 -0.05 -0.04 0.89 -0.34 2dh6A1 MET 152 H -0.12 0.48 -0.42 -0.55 8.47 7.86 2dh6A1 MET 152 HA -0.07 0.02 0.44 -0.75 4.52 4.15 2dh6A1 MET 152 HB2 -0.09 0.16 0.11 -0.04 2.15 2.29 2dh6A1 MET 152 HB3 -0.07 -0.08 -0.05 -0.04 2.03 1.80 2dh6A1 MET 152 HG2 -0.07 -0.04 -0.26 -0.04 2.63 2.22 2dh6A1 MET 152 HG3 -0.06 0.04 0.04 -0.04 2.56 2.53 2dh6A1 MET 152 HE3 -0.07 -0.05 -0.06 -0.04 2.10 1.88 2dh6A1 GLY 153 H -0.06 0.69 -0.47 -0.55 8.43 8.04 2dh6A1 GLY 153 HA2 -0.03 -0.02 0.34 -0.51 4.01 3.79 2dh6A1 GLY 153 HA3 -0.04 0.09 0.66 -0.51 4.01 4.22 2dh6A1 ALA 154 H -0.05 0.38 -0.10 -0.55 8.40 8.09 2dh6A1 ALA 154 HA -0.04 0.15 0.60 -0.75 4.34 4.30 2dh6A1 ALA 154 HB3 -0.05 -0.06 -0.12 -0.04 1.41 1.13 2dh6A1 GLU 155 H -0.05 0.48 0.25 -0.55 8.60 8.73 2dh6A1 GLU 155 HA -0.03 0.14 0.79 -0.75 4.29 4.43 2dh6A1 GLU 155 HB2 -0.03 0.10 -0.01 -0.04 2.09 2.12 2dh6A1 GLU 155 HB3 -0.05 0.03 0.25 -0.04 1.99 2.18 2dh6A1 GLU 155 HG2 -0.07 -0.10 -0.36 -0.04 2.34 1.77 2dh6A1 GLU 155 HG3 -0.03 0.03 -0.06 -0.04 2.34 2.23 2dh6A1 VAL 156 H -0.03 0.23 0.05 -0.55 8.24 7.94 2dh6A1 VAL 156 HA -0.08 0.18 0.86 -0.75 4.13 4.33 2dh6A1 VAL 156 HB -0.01 0.01 0.10 -0.04 2.12 2.18 2dh6A1 VAL 156 HG13 -0.02 -0.01 -0.25 -0.04 0.97 0.65 2dh6A1 VAL 156 HG23 -0.02 0.01 -0.13 -0.04 0.95 0.77 2dh6A1 ILE 157 H -0.18 0.43 0.08 -0.55 8.25 8.02 2dh6A1 ILE 157 HA -0.02 0.19 0.69 -0.75 4.18 4.28 2dh6A1 ILE 157 HB -0.49 -0.10 0.00 -0.04 1.89 1.25 2dh6A1 ILE 157 HG12 -0.07 0.06 -0.14 -0.04 1.49 1.30 2dh6A1 ILE 157 HG13 -0.21 -0.02 -0.27 -0.04 1.21 0.67 2dh6A1 ILE 157 HG23 0.19 0.00 -0.15 -0.04 0.93 0.93 2dh6A1 ILE 157 HD13 -0.34 -0.00 -0.12 -0.04 0.88 0.38 2dh6A1 PRO 158 HA -0.01 0.30 0.62 -0.51 4.44 4.84 2dh6A1 PRO 158 HB2 -0.12 -0.07 -0.02 -0.04 2.28 2.03 2dh6A1 PRO 158 HB3 -0.01 0.05 0.03 -0.04 2.02 2.04 2dh6A1 PRO 158 HG2 0.16 -0.03 0.05 -0.04 2.03 2.17 2dh6A1 PRO 158 HG3 0.10 0.06 0.05 -0.04 2.03 2.21 2dh6A1 PRO 158 HD2 0.05 0.07 0.27 -0.04 3.68 4.03 2dh6A1 PRO 158 HD3 0.02 0.31 0.19 -0.04 3.65 4.13 2dh6A1 VAL 159 H -0.08 0.28 0.30 -0.55 8.24 8.19 2dh6A1 VAL 159 HA 0.09 0.26 1.01 -0.75 4.13 4.73 2dh6A1 VAL 159 HB 0.01 -0.20 -0.04 -0.04 2.12 1.85 2dh6A1 VAL 159 HG13 0.03 0.02 -0.21 -0.04 0.97 0.76 2dh6A1 VAL 159 HG23 0.15 0.06 -0.25 -0.04 0.95 0.87 2dh6A1 HIS 160 H 0.21 0.20 0.14 -0.55 8.41 8.42 2dh6A1 HIS 160 HA 0.02 0.13 1.07 -0.75 4.63 5.10 2dh6A1 HIS 160 HB2 0.02 0.03 0.02 -0.04 3.26 3.29 2dh6A1 HIS 160 HB3 0.01 0.06 0.11 -0.04 3.20 3.34 2dh6A1 HIS 160 HD2 0.01 0.02 -0.00 -0.04 6.97 6.96 2dh6A1 HIS 160 HE1 0.02 0.08 -0.10 -0.04 7.75 7.71 2dh6A1 SER 161 H 0.08 -0.04 0.05 -0.55 8.46 8.00 2dh6A1 SER 161 HA 0.05 0.16 0.44 -0.75 4.49 4.39 2dh6A1 SER 161 HB2 0.02 0.00 0.12 -0.04 3.95 4.05 2dh6A1 SER 161 HB3 0.03 0.07 0.11 -0.04 3.93 4.10 2dh6A1 GLY 162 H 0.02 0.14 0.14 -0.55 8.43 8.18 2dh6A1 GLY 162 HA2 0.01 0.10 0.33 -0.51 4.01 3.95 2dh6A1 GLY 162 HA3 0.01 -0.08 0.35 -0.51 4.01 3.78 2dh6A1 SER 163 H 0.01 0.05 0.15 -0.55 8.46 8.12 2dh6A1 SER 163 HA 0.01 0.18 0.41 -0.75 4.49 4.34 2dh6A1 SER 163 HB2 0.01 0.07 0.11 -0.04 3.95 4.09 2dh6A1 SER 163 HB3 0.00 -0.18 0.07 -0.04 3.93 3.78 2dh6A1 ALA 164 H 0.01 0.30 -0.45 -0.55 8.40 7.72 2dh6A1 ALA 164 HA -0.01 0.11 0.24 -0.75 4.34 3.93 2dh6A1 ALA 164 HB3 -0.01 0.09 0.19 -0.04 1.41 1.63 2dh6A1 THR 165 H -0.00 0.04 -0.03 -0.55 8.28 7.74 2dh6A1 THR 165 HA -0.00 0.17 0.78 -0.75 4.39 4.58 2dh6A1 THR 165 HB 0.00 -0.16 0.19 -0.04 4.32 4.31 2dh6A1 THR 165 HG23 0.00 0.12 -0.23 -0.04 1.22 1.07 2dh6A1 LEU 166 H 0.01 0.27 0.17 -0.55 8.37 8.27 2dh6A1 LEU 166 HA 0.02 0.08 0.34 -0.75 4.35 4.03 2dh6A1 LEU 166 HB2 0.01 0.04 0.17 -0.04 1.64 1.82 2dh6A1 LEU 166 HB3 0.01 0.03 0.12 -0.04 1.64 1.75 2dh6A1 LEU 166 HG 0.01 0.03 -0.19 -0.04 1.64 1.45 2dh6A1 LEU 166 HD13 0.02 -0.01 -0.26 -0.04 0.93 0.64 2dh6A1 LEU 166 HD23 -0.00 0.01 -0.02 -0.04 0.89 0.83 2dh6A1 LYS 167 H 0.00 0.00 -0.08 -0.55 8.42 7.79 2dh6A1 LYS 167 HA 0.00 0.10 0.35 -0.75 4.32 4.02 2dh6A1 LYS 167 HB2 -0.00 0.10 0.04 -0.04 1.87 1.96 2dh6A1 LYS 167 HB3 0.00 0.06 0.10 -0.04 1.79 1.91 2dh6A1 LYS 167 HG2 0.00 -0.20 -0.02 -0.04 1.46 1.19 2dh6A1 LYS 167 HG3 0.00 0.10 -0.02 -0.04 1.46 1.50 2dh6A1 LYS 167 HD2 0.00 0.09 0.00 -0.04 1.69 1.74 2dh6A1 LYS 167 HD3 0.00 0.09 0.03 -0.04 1.68 1.76 2dh6A1 LYS 167 HE2 0.00 0.00 0.10 -0.04 2.99 3.05 2dh6A1 LYS 167 HE3 0.00 -0.14 -0.06 -0.04 2.99 2.75 2dh6A1 ASP 168 H 0.00 0.11 -0.41 -0.55 8.40 7.56 2dh6A1 ASP 168 HA -0.01 0.11 0.44 -0.75 4.63 4.42 2dh6A1 ASP 168 HB2 0.00 0.09 0.18 -0.04 2.71 2.94 2dh6A1 ASP 168 HB3 0.00 0.09 -0.10 -0.04 2.70 2.65 2dh6A1 ALA 169 H 0.02 0.47 0.01 -0.55 8.40 8.35 2dh6A1 ALA 169 HA 0.05 0.07 0.24 -0.75 4.34 3.95 2dh6A1 ALA 169 HB3 0.08 -0.00 -0.24 -0.04 1.41 1.21 2dh6A1 CYS 170 H 0.01 0.67 -0.38 -0.55 8.50 8.26 2dh6A1 CYS 170 HA 0.04 0.02 0.43 -0.75 4.58 4.32 2dh6A1 CYS 170 HB2 0.02 -0.03 -0.01 -0.04 2.97 2.92 2dh6A1 CYS 170 HB3 0.00 0.10 0.10 -0.04 2.97 3.13 2dh6A1 ASN 171 H -0.03 0.59 0.01 -0.55 8.53 8.55 2dh6A1 ASN 171 HA -0.05 0.02 0.44 -0.75 4.76 4.42 2dh6A1 ASN 171 HB2 -0.02 -0.02 0.15 -0.04 2.88 2.94 2dh6A1 ASN 171 HB3 -0.03 0.06 0.25 -0.04 2.79 3.03 2dh6A1 ASN 171 HD21 -0.04 -0.00 -0.15 -0.04 7.03 6.80 2dh6A1 ASN 171 HD22 -0.05 0.03 -0.15 -0.04 7.74 7.53 2dh6A1 GLU 172 H -0.11 0.50 -0.35 -0.55 8.60 8.09 2dh6A1 GLU 172 HA -0.21 0.06 0.44 -0.75 4.29 3.83 2dh6A1 GLU 172 HB2 -0.15 0.13 0.05 -0.04 2.09 2.08 2dh6A1 GLU 172 HB3 -0.55 0.05 -0.04 -0.04 1.99 1.41 2dh6A1 GLU 172 HG2 -0.09 -0.06 -0.05 -0.04 2.34 2.09 2dh6A1 GLU 172 HG3 -0.34 0.05 -0.05 -0.04 2.34 1.96 2dh6A1 ALA 173 H -0.24 0.46 -0.12 -0.55 8.40 7.95 2dh6A1 ALA 173 HA -0.34 0.06 0.38 -0.75 4.34 3.69 2dh6A1 ALA 173 HB3 0.10 0.02 -0.01 -0.04 1.41 1.47 2dh6A1 LEU 174 H -0.21 0.52 -0.17 -0.55 8.37 7.96 2dh6A1 LEU 174 HA -0.31 -0.00 0.35 -0.75 4.35 3.64 2dh6A1 LEU 174 HB2 -0.13 0.13 0.13 -0.04 1.64 1.73 2dh6A1 LEU 174 HB3 -0.06 0.08 0.03 -0.04 1.64 1.65 2dh6A1 LEU 174 HG 0.06 -0.01 -0.00 -0.04 1.64 1.65 2dh6A1 LEU 174 HD13 -0.21 -0.01 -0.00 -0.04 0.93 0.67 2dh6A1 LEU 174 HD23 0.02 -0.01 -0.00 -0.04 0.89 0.86 2dh6A1 ARG 175 H -0.12 0.42 -0.26 -0.55 8.46 7.96 2dh6A1 ARG 175 HA -0.03 -0.00 0.33 -0.75 4.34 3.89 2dh6A1 ARG 175 HB2 -0.11 0.10 0.12 -0.04 1.90 1.98 2dh6A1 ARG 175 HB3 -0.05 -0.01 -0.04 -0.04 1.80 1.65 2dh6A1 ARG 175 HG2 -0.04 -0.04 0.03 -0.04 1.67 1.58 2dh6A1 ARG 175 HG3 -0.06 0.17 0.11 -0.04 1.67 1.84 2dh6A1 ARG 175 HD2 -0.04 -0.07 -0.04 -0.04 3.22 3.03 2dh6A1 ARG 175 HD3 -0.08 -0.04 -0.05 -0.04 3.22 3.01 2dh6A1 ASP 176 H -0.12 0.44 -0.30 -0.55 8.40 7.88 2dh6A1 ASP 176 HA 0.03 0.02 0.32 -0.75 4.63 4.24 2dh6A1 ASP 176 HB2 -0.03 -0.01 0.08 -0.04 2.71 2.71 2dh6A1 ASP 176 HB3 0.09 0.14 0.19 -0.04 2.70 3.08 2dh6A1 TRP 177 H 0.14 0.68 -0.03 -0.55 7.97 8.21 2dh6A1 TRP 177 HA 0.04 0.02 0.24 -0.75 4.62 4.17 2dh6A1 TRP 177 HB2 -0.17 -0.01 0.03 -0.04 3.23 3.04 2dh6A1 TRP 177 HB3 -0.16 0.07 0.14 -0.04 3.23 3.24 2dh6A1 TRP 177 HD1 0.14 0.04 -0.15 -0.04 7.22 7.21 2dh6A1 TRP 177 HE1 0.22 0.30 0.20 -0.04 10.20 10.89 2dh6A1 TRP 177 HE3 -0.06 0.01 -0.01 -0.04 7.59 7.50 2dh6A1 TRP 177 HZ2 0.14 0.11 -0.03 -0.04 7.44 7.62 2dh6A1 TRP 177 HZ3 0.17 -0.02 -0.02 -0.04 7.13 7.22 2dh6A1 TRP 177 HH2 0.16 0.02 -0.12 -0.04 7.19 7.21 2dh6A1 SER 178 H 0.12 0.71 -0.15 -0.55 8.46 8.60 2dh6A1 SER 178 HA -0.18 -0.05 0.29 -0.75 4.49 3.81 2dh6A1 SER 178 HB2 -0.04 -0.09 0.11 -0.04 3.95 3.89 2dh6A1 SER 178 HB3 -0.01 -0.03 0.08 -0.04 3.93 3.94 2dh6A1 GLY 179 H 0.00 0.30 -1.10 -0.55 8.43 7.09 2dh6A1 GLY 179 HA2 -0.10 0.10 0.84 -0.51 4.01 4.33 2dh6A1 GLY 179 HA3 -0.04 0.00 0.31 -0.51 4.01 3.78 2dh6A1 SER 180 H -0.03 0.85 0.38 -0.55 8.46 9.11 2dh6A1 SER 180 HA -0.11 0.14 0.83 -0.75 4.49 4.60 2dh6A1 SER 180 HB2 0.09 -0.10 0.16 -0.04 3.95 4.06 2dh6A1 SER 180 HB3 0.03 0.07 -0.04 -0.04 3.93 3.96 2dh6A1 TYR 181 H -0.22 0.28 0.22 -0.55 8.29 8.01 2dh6A1 TYR 181 HA 0.31 0.35 0.49 -0.75 4.56 4.96 2dh6A1 TYR 181 HB2 -0.14 0.02 0.11 -0.04 3.06 3.01 2dh6A1 TYR 181 HB3 -1.44 -0.03 0.11 -0.04 2.98 1.58 2dh6A1 TYR 181 HD2 -0.34 0.06 -0.20 -0.04 7.15 6.64 2dh6A1 TYR 181 HE2 -0.16 0.10 -0.05 -0.04 6.85 6.71 2dh6A1 GLU 182 H -0.35 0.02 -0.51 -0.55 8.60 7.22 2dh6A1 GLU 182 HA 0.08 0.07 0.39 -0.75 4.29 4.08 2dh6A1 GLU 182 HB2 -0.28 -0.06 0.03 -0.04 2.09 1.75 2dh6A1 GLU 182 HB3 -0.10 0.01 -0.01 -0.04 1.99 1.85 2dh6A1 GLU 182 HG2 -0.01 0.05 -0.07 -0.04 2.34 2.26 2dh6A1 GLU 182 HG3 -0.01 0.01 0.05 -0.04 2.34 2.36 2dh6A1 THR 183 H 0.07 0.38 -0.12 -0.55 8.28 8.06 2dh6A1 THR 183 HA 0.09 0.34 1.07 -0.75 4.39 5.14 2dh6A1 THR 183 HB 0.06 -0.09 0.07 -0.04 4.32 4.32 2dh6A1 THR 183 HG23 0.04 0.02 -0.01 -0.04 1.22 1.23 2dh6A1 ALA 184 H 0.23 0.33 0.10 -0.55 8.40 8.52 2dh6A1 ALA 184 HA 0.18 0.41 1.20 -0.75 4.34 5.38 2dh6A1 ALA 184 HB3 0.21 -0.03 -0.22 -0.04 1.41 1.32 2dh6A1 HIS 185 H 0.23 0.49 0.30 -0.55 8.41 8.89 2dh6A1 HIS 185 HA 0.27 0.13 0.79 -0.75 4.63 5.07 2dh6A1 HIS 185 HB2 0.13 0.08 0.01 -0.04 3.26 3.44 2dh6A1 HIS 185 HB3 0.06 0.03 0.07 -0.04 3.20 3.32 2dh6A1 HIS 185 HD2 -0.01 -0.06 -0.36 -0.04 6.97 6.50 2dh6A1 HIS 185 HE1 0.01 -0.08 -0.00 -0.04 7.75 7.63 2dh6A1 TYR 186 H -0.96 0.18 0.13 -0.55 8.29 7.08 2dh6A1 TYR 186 HA -0.53 0.21 0.84 -0.75 4.56 4.33 2dh6A1 TYR 186 HB2 -1.84 0.01 0.01 -0.04 3.06 1.20 2dh6A1 TYR 186 HB3 -1.97 -0.01 0.14 -0.04 2.98 1.09 2dh6A1 TYR 186 HD2 -0.60 0.13 -0.08 -0.04 7.15 6.57 2dh6A1 TYR 186 HE2 -0.21 -0.08 -0.12 -0.04 6.85 6.39 2dh6A1 MET 187 H -0.28 0.77 0.27 -0.55 8.47 8.68 2dh6A1 MET 187 HA -0.19 0.09 0.56 -0.75 4.52 4.23 2dh6A1 MET 187 HB2 -0.06 0.07 -0.04 -0.04 2.15 2.07 2dh6A1 MET 187 HB3 -0.06 -0.11 0.10 -0.04 2.03 1.92 2dh6A1 MET 187 HG2 -0.12 -0.07 -0.14 -0.04 2.63 2.26 2dh6A1 MET 187 HG3 0.10 0.06 -0.28 -0.04 2.56 2.40 2dh6A1 MET 187 HE3 -0.02 0.00 -0.11 -0.04 2.10 1.94 2dh6A1 LEU 188 H -0.32 0.24 0.11 -0.55 8.37 7.86 2dh6A1 LEU 188 HA -0.67 0.00 0.63 -0.75 4.35 3.55 2dh6A1 LEU 188 HB2 -1.13 0.07 0.00 -0.04 1.64 0.54 2dh6A1 LEU 188 HB3 -0.31 0.07 -0.04 -0.04 1.64 1.32 2dh6A1 LEU 188 HG -0.35 -0.19 -0.09 -0.04 1.64 0.97 2dh6A1 LEU 188 HD13 -0.59 0.01 -0.06 -0.04 0.93 0.25 2dh6A1 LEU 188 HD23 -0.32 0.05 -0.32 -0.04 0.89 0.25 2dh6A1 GLY 189 H -0.46 0.01 0.17 -0.55 8.43 7.60 2dh6A1 GLY 189 HA2 -0.62 0.19 0.64 -0.51 4.01 3.70 2dh6A1 GLY 189 HA3 -0.84 -0.11 0.32 -0.51 4.01 2.88 2dh6A1 THR 190 H -0.23 -0.00 0.08 -0.55 8.28 7.58 2dh6A1 THR 190 HA -0.09 0.07 0.49 -0.75 4.39 4.11 2dh6A1 THR 190 HB -0.09 -0.00 0.12 -0.04 4.32 4.31 2dh6A1 THR 190 HG23 -0.10 0.02 -0.14 -0.04 1.22 0.97 2dh6A1 ALA 191 H -0.04 0.04 0.14 -0.55 8.40 8.00 2dh6A1 ALA 191 HA -0.05 0.25 0.54 -0.75 4.34 4.33 2dh6A1 ALA 191 HB3 -0.04 0.01 0.04 -0.04 1.41 1.37 2dh6A1 ALA 192 H -0.04 -0.09 -0.17 -0.55 8.40 7.56 2dh6A1 ALA 192 HA 0.02 0.24 0.77 -0.75 4.34 4.60 2dh6A1 ALA 192 HB3 0.01 -0.01 0.12 -0.04 1.41 1.48 2dh6A1 GLY 193 H 0.04 0.38 0.07 -0.55 8.43 8.36 2dh6A1 GLY 193 HA2 0.01 0.13 0.63 -0.51 4.01 4.27 2dh6A1 GLY 193 HA3 -0.04 0.03 0.21 -0.51 4.01 3.70 2dh6A1 PRO 194 HA 0.13 0.09 0.49 -0.51 4.44 4.63 2dh6A1 PRO 194 HB2 0.18 0.17 0.07 -0.04 2.28 2.65 2dh6A1 PRO 194 HB3 0.14 0.02 0.12 -0.04 2.02 2.27 2dh6A1 PRO 194 HG2 0.46 0.04 -0.08 -0.04 2.03 2.42 2dh6A1 PRO 194 HG3 0.31 0.05 0.04 -0.04 2.03 2.38 2dh6A1 PRO 194 HD2 0.07 0.04 0.15 -0.04 3.68 3.90 2dh6A1 PRO 194 HD3 0.11 0.12 0.17 -0.04 3.65 4.00 2dh6A1 HIS 195 H 0.20 0.15 0.18 -0.55 8.41 8.39 2dh6A1 HIS 195 HA 0.01 -0.04 0.46 -0.75 4.63 4.30 2dh6A1 HIS 195 HB2 0.03 0.02 0.14 -0.04 3.26 3.41 2dh6A1 HIS 195 HB3 0.02 0.04 0.07 -0.04 3.20 3.30 2dh6A1 HIS 195 HD2 -0.00 0.03 -0.11 -0.04 6.97 6.84 2dh6A1 HIS 195 HE1 0.01 0.02 0.01 -0.04 7.75 7.75 2dh6A1 PRO 196 HA -1.05 0.02 0.34 -0.51 4.44 3.24 2dh6A1 PRO 196 HB2 -0.53 -0.02 0.17 -0.04 2.28 1.86 2dh6A1 PRO 196 HB3 -0.81 0.07 0.12 -0.04 2.02 1.37 2dh6A1 PRO 196 HG2 -0.48 0.02 -0.06 -0.04 2.03 1.47 2dh6A1 PRO 196 HG3 -0.25 0.01 0.08 -0.04 2.03 1.83 2dh6A1 PRO 196 HD2 -0.23 0.11 0.43 -0.04 3.68 3.94 2dh6A1 PRO 196 HD3 -0.16 0.17 0.08 -0.04 3.65 3.71 2dh6A1 TYR 197 H -0.10 0.55 0.09 -0.55 8.29 8.28 2dh6A1 TYR 197 HA -0.21 0.00 0.31 -0.75 4.56 3.90 2dh6A1 TYR 197 HB2 -0.06 0.35 -0.00 -0.04 3.06 3.32 2dh6A1 TYR 197 HB3 -0.11 -0.08 -0.14 -0.04 2.98 2.61 2dh6A1 TYR 197 HD2 -0.06 0.05 -0.05 -0.04 7.15 7.05 2dh6A1 TYR 197 HE2 -0.06 0.02 0.00 -0.04 6.85 6.78 2dh6A1 PRO 198 HA -0.03 0.01 0.42 -0.51 4.44 4.33 2dh6A1 PRO 198 HB2 0.02 -0.02 0.02 -0.04 2.28 2.26 2dh6A1 PRO 198 HB3 0.03 0.19 0.23 -0.04 2.02 2.43 2dh6A1 PRO 198 HG2 0.07 -0.01 -0.09 -0.04 2.03 1.95 2dh6A1 PRO 198 HG3 0.10 0.07 -0.01 -0.04 2.03 2.15 2dh6A1 PRO 198 HD2 0.05 -0.02 -0.30 -0.04 3.68 3.36 2dh6A1 PRO 198 HD3 0.09 0.22 -0.08 -0.04 3.65 3.85 2dh6A1 THR 199 H -0.14 0.22 -0.54 -0.55 8.28 7.27 2dh6A1 THR 199 HA -0.08 0.05 0.46 -0.75 4.39 4.07 2dh6A1 THR 199 HB -0.30 0.13 0.17 -0.04 4.32 4.28 2dh6A1 THR 199 HG23 0.08 0.01 -0.17 -0.04 1.22 1.09 2dh6A1 ILE 200 H -0.61 0.46 0.10 -0.55 8.25 7.66 2dh6A1 ILE 200 HA -1.38 0.04 0.36 -0.75 4.18 2.45 2dh6A1 ILE 200 HB -0.46 0.03 0.12 -0.04 1.89 1.54 2dh6A1 ILE 200 HG12 -2.50 0.00 0.01 -0.04 1.49 -1.04 2dh6A1 ILE 200 HG13 -1.10 0.09 0.07 -0.04 1.21 0.23 2dh6A1 ILE 200 HG23 -0.46 0.00 -0.13 -0.04 0.93 0.30 2dh6A1 ILE 200 HD13 -0.54 -0.01 -0.13 -0.04 0.88 0.15 2dh6A1 VAL 201 H -0.21 0.74 -0.19 -0.55 8.24 8.03 2dh6A1 VAL 201 HA -0.03 0.05 0.34 -0.75 4.13 3.73 2dh6A1 VAL 201 HB -0.07 0.04 0.02 -0.04 2.12 2.08 2dh6A1 VAL 201 HG13 -0.04 -0.05 -0.28 -0.04 0.97 0.57 2dh6A1 VAL 201 HG23 0.00 0.05 -0.10 -0.04 0.95 0.86 2dh6A1 ARG 202 H -0.14 0.64 -0.09 -0.55 8.46 8.32 2dh6A1 ARG 202 HA -0.11 -0.14 0.29 -0.75 4.34 3.63 2dh6A1 ARG 202 HB2 -0.12 0.17 0.20 -0.04 1.90 2.10 2dh6A1 ARG 202 HB3 -0.17 -0.07 0.02 -0.04 1.80 1.54 2dh6A1 ARG 202 HG2 -0.27 -0.22 0.03 -0.04 1.67 1.18 2dh6A1 ARG 202 HG3 -0.17 0.35 0.17 -0.04 1.67 1.99 2dh6A1 ARG 202 HD2 -0.73 -0.01 -0.02 -0.04 3.22 2.42 2dh6A1 ARG 202 HD3 -0.75 -0.12 -0.02 -0.04 3.22 2.29 2dh6A1 GLU 203 H -0.18 0.59 -0.49 -0.55 8.60 7.98 2dh6A1 GLU 203 HA 0.01 -0.01 0.42 -0.75 4.29 3.96 2dh6A1 GLU 203 HB2 0.01 0.07 0.02 -0.04 2.09 2.15 2dh6A1 GLU 203 HB3 -0.36 0.12 0.10 -0.04 1.99 1.81 2dh6A1 GLU 203 HG2 0.16 0.01 -0.05 -0.04 2.34 2.42 2dh6A1 GLU 203 HG3 0.11 -0.04 -0.07 -0.04 2.34 2.31 2dh6A1 PHE 204 H -0.13 0.62 -0.00 -0.55 8.34 8.27 2dh6A1 PHE 204 HA 0.29 0.10 0.59 -0.75 4.62 4.84 2dh6A1 PHE 204 HB2 0.02 0.01 0.14 -0.04 3.15 3.28 2dh6A1 PHE 204 HB3 0.13 0.03 0.13 -0.04 3.06 3.32 2dh6A1 PHE 204 HD2 -0.03 0.02 -0.08 -0.04 7.28 7.15 2dh6A1 PHE 204 HE2 0.01 -0.00 -0.19 -0.04 7.38 7.16 2dh6A1 PHE 204 HZ 0.22 0.03 -0.09 -0.04 7.32 7.45 2dh6A1 GLN 205 H 0.10 0.22 -0.81 -0.55 8.47 7.44 2dh6A1 GLN 205 HA 0.05 0.15 0.86 -0.75 4.36 4.67 2dh6A1 GLN 205 HB2 -0.02 0.14 -0.04 -0.04 2.15 2.18 2dh6A1 GLN 205 HB3 -0.06 -0.20 0.09 -0.04 2.02 1.81 2dh6A1 GLN 205 HG2 0.07 0.13 -0.48 -0.04 2.40 2.08 2dh6A1 GLN 205 HG3 -0.01 -0.13 -0.16 -0.04 2.39 2.05 2dh6A1 GLN 205 HE21 0.05 0.19 0.09 -0.04 6.97 7.25 2dh6A1 GLN 205 HE22 0.03 -0.02 -0.02 -0.04 7.69 7.64 2dh6A1 ARG 206 H 0.08 0.34 0.03 -0.55 8.46 8.36 2dh6A1 ARG 206 HA -0.01 0.14 0.58 -0.75 4.34 4.30 2dh6A1 ARG 206 HB2 0.01 -0.11 0.16 -0.04 1.90 1.93 2dh6A1 ARG 206 HB3 0.02 0.16 0.19 -0.04 1.80 2.13 2dh6A1 ARG 206 HG2 0.11 0.28 0.19 -0.04 1.67 2.20 2dh6A1 ARG 206 HG3 0.05 -0.07 -0.22 -0.04 1.67 1.39 2dh6A1 ARG 206 HD2 0.05 0.00 0.06 -0.04 3.22 3.30 2dh6A1 ARG 206 HD3 0.08 0.03 0.02 -0.04 3.22 3.30 2dh6A1 MET 207 H 0.03 0.17 -0.38 -0.55 8.47 7.75 2dh6A1 MET 207 HA -0.01 0.07 0.37 -0.75 4.52 4.18 2dh6A1 MET 207 HB2 -0.04 0.02 -0.00 -0.04 2.15 2.08 2dh6A1 MET 207 HB3 -0.03 0.08 0.01 -0.04 2.03 2.05 2dh6A1 MET 207 HG2 -0.03 -0.03 -0.16 -0.04 2.63 2.36 2dh6A1 MET 207 HG3 -0.06 0.06 -0.09 -0.04 2.56 2.43 2dh6A1 MET 207 HE3 0.12 0.04 -0.11 -0.04 2.10 2.11 2dh6A1 ILE 208 H -0.04 0.27 -0.30 -0.55 8.25 7.64 2dh6A1 ILE 208 HA -0.01 0.03 0.34 -0.75 4.18 3.79 2dh6A1 ILE 208 HB -0.05 0.08 -0.28 -0.04 1.89 1.59 2dh6A1 ILE 208 HG12 -0.07 -0.00 0.01 -0.04 1.49 1.39 2dh6A1 ILE 208 HG13 -0.13 0.05 0.04 -0.04 1.21 1.12 2dh6A1 ILE 208 HG23 -0.01 -0.00 -0.15 -0.04 0.93 0.73 2dh6A1 ILE 208 HD13 -0.36 -0.03 0.02 -0.04 0.88 0.47 2dh6A1 GLY 209 H 0.00 0.46 -0.04 -0.55 8.43 8.31 2dh6A1 GLY 209 HA2 0.19 0.04 0.47 -0.51 4.01 4.19 2dh6A1 GLY 209 HA3 0.04 0.10 0.31 -0.51 4.01 3.96 2dh6A1 GLU 210 H -0.04 0.43 -0.09 -0.55 8.60 8.35 2dh6A1 GLU 210 HA -0.13 0.06 0.42 -0.75 4.29 3.88 2dh6A1 GLU 210 HB2 -0.03 -0.02 0.14 -0.04 2.09 2.13 2dh6A1 GLU 210 HB3 -0.04 0.01 0.01 -0.04 1.99 1.92 2dh6A1 GLU 210 HG2 -0.07 0.00 -0.00 -0.04 2.34 2.23 2dh6A1 GLU 210 HG3 -0.04 0.26 0.01 -0.04 2.34 2.53 2dh6A1 GLU 211 H -0.02 0.88 -0.05 -0.55 8.60 8.85 2dh6A1 GLU 211 HA -0.02 0.02 0.41 -0.75 4.29 3.94 2dh6A1 GLU 211 HB2 -0.00 0.08 0.16 -0.04 2.09 2.28 2dh6A1 GLU 211 HB3 -0.01 -0.00 -0.00 -0.04 1.99 1.93 2dh6A1 GLU 211 HG2 -0.03 -0.01 0.02 -0.04 2.34 2.29 2dh6A1 GLU 211 HG3 -0.03 0.10 0.10 -0.04 2.34 2.48 2dh6A1 THR 212 H 0.03 0.59 -0.12 -0.55 8.28 8.23 2dh6A1 THR 212 HA 0.02 -0.04 0.30 -0.75 4.39 3.92 2dh6A1 THR 212 HB 0.25 0.13 0.14 -0.04 4.32 4.80 2dh6A1 THR 212 HG23 0.12 -0.02 -0.16 -0.04 1.22 1.12 2dh6A1 LYS 213 H 0.00 0.72 -0.21 -0.55 8.42 8.38 2dh6A1 LYS 213 HA 0.19 0.01 0.34 -0.75 4.32 4.10 2dh6A1 LYS 213 HB2 -0.53 0.01 0.05 -0.04 1.87 1.36 2dh6A1 LYS 213 HB3 -0.18 0.07 0.17 -0.04 1.79 1.82 2dh6A1 LYS 213 HG2 -0.09 -0.02 -0.15 -0.04 1.46 1.16 2dh6A1 LYS 213 HG3 -0.01 -0.06 -0.09 -0.04 1.46 1.26 2dh6A1 LYS 213 HD2 -0.07 -0.04 -0.04 -0.04 1.69 1.50 2dh6A1 LYS 213 HD3 -0.36 0.01 -0.03 -0.04 1.68 1.25 2dh6A1 LYS 213 HE2 -0.38 -0.03 -0.03 -0.04 2.99 2.51 2dh6A1 LYS 213 HE3 -0.15 -0.06 -0.02 -0.04 2.99 2.72 2dh6A1 ALA 214 H -0.03 0.61 -0.04 -0.55 8.40 8.39 2dh6A1 ALA 214 HA -0.02 0.00 0.39 -0.75 4.34 3.96 2dh6A1 ALA 214 HB3 -0.03 0.01 0.10 -0.04 1.41 1.45 2dh6A1 GLN 215 H -0.02 0.82 -0.11 -0.55 8.47 8.61 2dh6A1 GLN 215 HA -0.04 -0.00 0.41 -0.75 4.36 3.98 2dh6A1 GLN 215 HB2 -0.04 0.07 0.10 -0.04 2.15 2.24 2dh6A1 GLN 215 HB3 -0.07 -0.07 -0.01 -0.04 2.02 1.82 2dh6A1 GLN 215 HG2 -0.02 -0.05 0.01 -0.04 2.40 2.29 2dh6A1 GLN 215 HG3 -0.02 0.16 0.05 -0.04 2.39 2.54 2dh6A1 GLN 215 HE21 -0.00 0.07 -0.00 -0.04 6.97 6.99 2dh6A1 GLN 215 HE22 -0.01 -0.01 -0.01 -0.04 7.69 7.61 2dh6A1 ILE 216 H -0.05 0.74 -0.12 -0.55 8.25 8.27 2dh6A1 ILE 216 HA -0.27 -0.03 0.39 -0.75 4.18 3.51 2dh6A1 ILE 216 HB -0.03 0.33 0.15 -0.04 1.89 2.30 2dh6A1 ILE 216 HG12 -0.34 -0.09 -0.07 -0.04 1.49 0.96 2dh6A1 ILE 216 HG13 -0.10 -0.03 -0.09 -0.04 1.21 0.94 2dh6A1 ILE 216 HG23 0.02 0.05 -0.10 -0.04 0.93 0.86 2dh6A1 ILE 216 HD13 -0.29 0.01 -0.04 -0.04 0.88 0.51 2dh6A1 LEU 217 H -0.02 0.50 -0.22 -0.55 8.37 8.08 2dh6A1 LEU 217 HA -0.00 0.03 0.33 -0.75 4.35 3.95 2dh6A1 LEU 217 HB2 -0.01 0.10 0.13 -0.04 1.64 1.82 2dh6A1 LEU 217 HB3 -0.00 -0.05 -0.10 -0.04 1.64 1.45 2dh6A1 LEU 217 HG 0.02 0.17 -0.07 -0.04 1.64 1.72 2dh6A1 LEU 217 HD13 0.00 -0.03 -0.10 -0.04 0.93 0.76 2dh6A1 LEU 217 HD23 0.02 0.02 -0.38 -0.04 0.89 0.51 2dh6A1 GLU 218 H -0.02 0.59 -0.09 -0.55 8.60 8.53 2dh6A1 GLU 218 HA -0.01 -0.01 0.37 -0.75 4.29 3.89 2dh6A1 GLU 218 HB2 -0.01 -0.02 0.12 -0.04 2.09 2.14 2dh6A1 GLU 218 HB3 -0.02 0.12 0.18 -0.04 1.99 2.22 2dh6A1 GLU 218 HG2 -0.01 -0.06 -0.01 -0.04 2.34 2.22 2dh6A1 GLU 218 HG3 -0.00 0.02 -0.24 -0.04 2.34 2.07 2dh6A1 ARG 219 H -0.05 0.37 -0.27 -0.55 8.46 7.97 2dh6A1 ARG 219 HA 0.02 0.13 0.78 -0.75 4.34 4.52 2dh6A1 ARG 219 HB2 -0.07 0.03 0.04 -0.04 1.90 1.87 2dh6A1 ARG 219 HB3 0.09 -0.07 0.04 -0.04 1.80 1.82 2dh6A1 ARG 219 HG2 0.03 -0.06 -0.01 -0.04 1.67 1.59 2dh6A1 ARG 219 HG3 -0.03 0.06 0.01 -0.04 1.67 1.67 2dh6A1 ARG 219 HD2 -0.19 0.06 -0.10 -0.04 3.22 2.95 2dh6A1 ARG 219 HD3 0.10 -0.06 -0.03 -0.04 3.22 3.18 2dh6A1 GLU 220 H -0.02 0.59 0.03 -0.55 8.60 8.65 2dh6A1 GLU 220 HA 0.05 0.16 0.95 -0.75 4.29 4.69 2dh6A1 GLU 220 HB2 0.00 0.25 0.09 -0.04 2.09 2.39 2dh6A1 GLU 220 HB3 0.05 -0.06 0.10 -0.04 1.99 2.04 2dh6A1 GLU 220 HG2 0.06 -0.08 -0.18 -0.04 2.34 2.10 2dh6A1 GLU 220 HG3 0.16 -0.05 -0.07 -0.04 2.34 2.34 2dh6A1 GLY 221 H 0.00 0.60 0.04 -0.55 8.43 8.52 2dh6A1 GLY 221 HA2 0.01 0.06 0.37 -0.51 4.01 3.93 2dh6A1 GLY 221 HA3 0.01 -0.03 0.33 -0.51 4.01 3.81 2dh6A1 ARG 222 H 0.01 0.25 -0.48 -0.55 8.46 7.70 2dh6A1 ARG 222 HA 0.02 0.03 0.54 -0.75 4.34 4.17 2dh6A1 ARG 222 HB2 0.02 -0.00 0.06 -0.04 1.90 1.94 2dh6A1 ARG 222 HB3 0.02 0.03 -0.01 -0.04 1.80 1.80 2dh6A1 ARG 222 HG2 0.02 0.29 -0.17 -0.04 1.67 1.77 2dh6A1 ARG 222 HG3 0.03 -0.04 -0.18 -0.04 1.67 1.44 2dh6A1 ARG 222 HD2 0.02 -0.06 -0.04 -0.04 3.22 3.10 2dh6A1 ARG 222 HD3 0.03 -0.04 -0.04 -0.04 3.22 3.13 2dh6A1 LEU 223 H 0.04 0.07 0.07 -0.55 8.37 8.00 2dh6A1 LEU 223 HA 0.08 0.09 0.47 -0.75 4.35 4.23 2dh6A1 LEU 223 HB2 0.07 0.02 -0.01 -0.04 1.64 1.67 2dh6A1 LEU 223 HB3 0.15 0.08 0.08 -0.04 1.64 1.91 2dh6A1 LEU 223 HG 0.06 -0.06 0.01 -0.04 1.64 1.61 2dh6A1 LEU 223 HD13 0.14 -0.00 -0.01 -0.04 0.93 1.02 2dh6A1 LEU 223 HD23 0.10 -0.01 -0.11 -0.04 0.89 0.84 2dh6A1 PRO 224 HA 0.01 0.09 0.52 -0.51 4.44 4.56 2dh6A1 PRO 224 HB2 -0.09 0.04 -0.18 -0.04 2.28 2.01 2dh6A1 PRO 224 HB3 -0.02 -0.00 -0.08 -0.04 2.02 1.88 2dh6A1 PRO 224 HG2 -0.28 -0.01 -0.09 -0.04 2.03 1.60 2dh6A1 PRO 224 HG3 -0.02 0.03 -0.04 -0.04 2.03 1.95 2dh6A1 PRO 224 HD2 -0.01 0.11 0.07 -0.04 3.68 3.80 2dh6A1 PRO 224 HD3 0.16 0.08 0.15 -0.04 3.65 4.00 2dh6A1 ASP 225 H 0.01 0.42 0.39 -0.55 8.40 8.67 2dh6A1 ASP 225 HA -0.00 0.16 0.60 -0.75 4.63 4.63 2dh6A1 ASP 225 HB2 0.01 -0.04 0.21 -0.04 2.71 2.85 2dh6A1 ASP 225 HB3 0.00 -0.01 0.11 -0.04 2.70 2.76 2dh6A1 ALA 226 H -0.02 0.32 0.20 -0.55 8.40 8.36 2dh6A1 ALA 226 HA -0.06 0.29 0.84 -0.75 4.34 4.66 2dh6A1 ALA 226 HB3 0.00 -0.03 -0.10 -0.04 1.41 1.24 2dh6A1 VAL 227 H -0.06 0.74 0.27 -0.55 8.24 8.64 2dh6A1 VAL 227 HA -0.05 0.14 1.03 -0.75 4.13 4.49 2dh6A1 VAL 227 HB -0.05 0.04 0.12 -0.04 2.12 2.19 2dh6A1 VAL 227 HG13 0.01 -0.03 -0.25 -0.04 0.97 0.66 2dh6A1 VAL 227 HG23 -0.64 0.01 -0.16 -0.04 0.95 0.11 2dh6A1 ILE 228 H 0.03 0.62 0.31 -0.55 8.25 8.66 2dh6A1 ILE 228 HA 0.08 0.26 0.84 -0.75 4.18 4.60 2dh6A1 ILE 228 HB 0.06 -0.11 0.03 -0.04 1.89 1.83 2dh6A1 ILE 228 HG12 0.06 0.12 -0.02 -0.04 1.49 1.61 2dh6A1 ILE 228 HG13 0.11 -0.03 -0.10 -0.04 1.21 1.15 2dh6A1 ILE 228 HG23 0.05 -0.02 -0.06 -0.04 0.93 0.86 2dh6A1 ILE 228 HD13 0.08 -0.02 -0.30 -0.04 0.88 0.60 2dh6A1 ALA 229 H 0.10 0.59 0.29 -0.55 8.40 8.84 2dh6A1 ALA 229 HA -0.04 0.04 0.78 -0.75 4.34 4.37 2dh6A1 ALA 229 HB3 -0.35 0.03 -0.11 -0.04 1.41 0.94 2dh6A1 CYS 230 H -0.00 0.18 0.14 -0.55 8.50 8.26 2dh6A1 CYS 230 HA 0.02 0.10 0.69 -0.75 4.58 4.64 2dh6A1 CYS 230 HB2 0.05 -0.02 0.17 -0.04 2.97 3.13 2dh6A1 CYS 230 HB3 0.02 -0.11 0.13 -0.04 2.97 2.97 2dh6A1 VAL 231 H 0.00 0.35 0.27 -0.55 8.24 8.32 2dh6A1 VAL 231 HA -0.04 -0.06 0.77 -0.75 4.13 4.05 2dh6A1 VAL 231 HB -0.05 0.07 -0.02 -0.04 2.12 2.07 2dh6A1 VAL 231 HG13 -0.04 0.02 -0.13 -0.04 0.97 0.78 2dh6A1 VAL 231 HG23 -0.39 -0.04 -0.19 -0.04 0.95 0.29 2dh6A1 GLY 232 H 0.00 -0.16 0.10 -0.55 8.43 7.82 2dh6A1 GLY 232 HA2 0.26 0.02 0.33 -0.51 4.01 4.11 2dh6A1 GLY 232 HA3 0.09 0.23 0.67 -0.51 4.01 4.49 2dh6A1 GLY 233 H 0.06 -0.01 0.18 -0.55 8.43 8.12 2dh6A1 GLY 233 HA2 0.04 -0.10 0.52 -0.51 4.01 3.96 2dh6A1 GLY 233 HA3 0.05 0.18 0.33 -0.51 4.01 4.06 2dh6A1 GLY 234 H 0.02 0.12 0.20 -0.55 8.43 8.22 2dh6A1 GLY 234 HA2 0.03 0.05 0.35 -0.51 4.01 3.94 2dh6A1 GLY 234 HA3 0.03 0.15 0.43 -0.51 4.01 4.10 2dh6A1 SER 235 H 0.02 -0.22 -0.88 -0.55 8.46 6.83 2dh6A1 SER 235 HA 0.02 0.14 0.49 -0.75 4.49 4.39 2dh6A1 SER 235 HB2 -0.02 -0.30 -0.04 -0.04 3.95 3.55 2dh6A1 SER 235 HB3 -0.01 0.33 0.06 -0.04 3.93 4.27 2dh6A1 ASN 236 H 0.00 -0.19 -0.12 -0.55 8.53 7.68 2dh6A1 ASN 236 HA -0.04 -0.04 0.26 -0.75 4.76 4.20 2dh6A1 ASN 236 HB2 0.08 0.00 -0.35 -0.04 2.88 2.58 2dh6A1 ASN 236 HB3 -0.00 0.23 0.17 -0.04 2.79 3.14 2dh6A1 ASN 236 HD21 -0.30 0.13 0.07 -0.04 7.03 6.89 2dh6A1 ASN 236 HD22 -0.56 0.02 0.02 -0.04 7.74 7.17 2dh6A1 ALA 237 H -0.06 -0.07 -0.12 -0.55 8.40 7.61 2dh6A1 ALA 237 HA -0.33 0.24 0.38 -0.75 4.34 3.87 2dh6A1 ALA 237 HB3 -0.13 0.05 -0.10 -0.04 1.41 1.19 2dh6A1 ILE 238 H -0.02 -0.05 -0.04 -0.55 8.25 7.58 2dh6A1 ILE 238 HA 0.16 0.15 0.28 -0.75 4.18 4.01 2dh6A1 ILE 238 HB -0.09 -0.03 -0.05 -0.04 1.89 1.68 2dh6A1 ILE 238 HG12 0.01 -0.25 0.10 -0.04 1.49 1.30 2dh6A1 ILE 238 HG13 -0.07 0.07 0.02 -0.04 1.21 1.19 2dh6A1 ILE 238 HG23 -0.33 0.06 -0.06 -0.04 0.93 0.55 2dh6A1 ILE 238 HD13 0.29 0.08 -0.00 -0.04 0.88 1.21 2dh6A1 GLY 239 H -0.09 -0.07 -0.78 -0.55 8.43 6.94 2dh6A1 GLY 239 HA2 -0.05 0.12 0.25 -0.51 4.01 3.82 2dh6A1 GLY 239 HA3 -0.10 0.10 0.22 -0.51 4.01 3.72 2dh6A1 MET 240 H -0.17 0.23 -0.20 -0.55 8.47 7.79 2dh6A1 MET 240 HA 0.00 0.01 0.49 -0.75 4.52 4.27 2dh6A1 MET 240 HB2 -0.13 -0.03 0.03 -0.04 2.15 1.97 2dh6A1 MET 240 HB3 -0.43 0.02 0.12 -0.04 2.03 1.71 2dh6A1 MET 240 HG2 -0.17 -0.05 -0.11 -0.04 2.63 2.25 2dh6A1 MET 240 HG3 -0.18 0.07 -0.32 -0.04 2.56 2.09 2dh6A1 MET 240 HE3 0.01 -0.01 -0.11 -0.04 2.10 1.95 2dh6A1 PHE 241 H -0.11 0.54 -0.09 -0.55 8.34 8.13 2dh6A1 PHE 241 HA 0.23 0.17 0.38 -0.75 4.62 4.65 2dh6A1 PHE 241 HB2 0.10 -0.09 -0.07 -0.04 3.15 3.04 2dh6A1 PHE 241 HB3 0.11 0.04 -0.12 -0.04 3.06 3.04 2dh6A1 PHE 241 HD2 0.01 -0.03 -0.22 -0.04 7.28 7.00 2dh6A1 PHE 241 HE2 -0.10 0.07 -0.15 -0.04 7.38 7.16 2dh6A1 PHE 241 HZ -0.10 0.21 -0.15 -0.04 7.32 7.24 2dh6A1 ALA 242 H 0.15 0.54 -0.16 -0.55 8.40 8.39 2dh6A1 ALA 242 HA 0.18 -0.01 0.35 -0.75 4.34 4.10 2dh6A1 ALA 242 HB3 0.03 0.03 0.12 -0.04 1.41 1.54 2dh6A1 ASP 243 H 0.00 0.16 -0.19 -0.55 8.40 7.82 2dh6A1 ASP 243 HA -0.06 0.06 0.27 -0.75 4.63 4.15 2dh6A1 ASP 243 HB2 -0.14 -0.04 -0.02 -0.04 2.71 2.47 2dh6A1 ASP 243 HB3 -0.50 0.09 -0.22 -0.04 2.70 2.02 2dh6A1 PHE 244 H 0.20 0.63 -0.58 -0.55 8.34 8.04 2dh6A1 PHE 244 HA 0.04 0.17 0.89 -0.75 4.62 4.97 2dh6A1 PHE 244 HB2 0.13 0.04 -0.01 -0.04 3.15 3.26 2dh6A1 PHE 244 HB3 0.05 0.06 -0.01 -0.04 3.06 3.12 2dh6A1 PHE 244 HD2 0.08 0.08 -0.01 -0.04 7.28 7.38 2dh6A1 PHE 244 HE2 0.02 -0.02 -0.02 -0.04 7.38 7.32 2dh6A1 PHE 244 HZ 0.00 -0.04 -0.17 -0.04 7.32 7.07 2dh6A1 ILE 245 H 0.15 0.48 0.08 -0.55 8.25 8.41 2dh6A1 ILE 245 HA 0.06 0.04 0.31 -0.75 4.18 3.84 2dh6A1 ILE 245 HB 0.09 0.01 0.09 -0.04 1.89 2.04 2dh6A1 ILE 245 HG12 0.19 0.21 0.06 -0.04 1.49 1.91 2dh6A1 ILE 245 HG13 0.22 -0.09 0.01 -0.04 1.21 1.30 2dh6A1 ILE 245 HG23 0.02 -0.01 -0.06 -0.04 0.93 0.84 2dh6A1 ILE 245 HD13 0.08 -0.03 -0.08 -0.04 0.88 0.81 2dh6A1 ASN 246 H 0.05 0.11 -0.45 -0.55 8.53 7.70 2dh6A1 ASN 246 HA 0.03 0.27 1.01 -0.75 4.76 5.31 2dh6A1 ASN 246 HB2 0.02 0.01 0.01 -0.04 2.88 2.88 2dh6A1 ASN 246 HB3 0.02 -0.02 0.19 -0.04 2.79 2.94 2dh6A1 ASN 246 HD21 0.02 -0.01 -0.04 -0.04 7.03 6.96 2dh6A1 ASN 246 HD22 0.02 -0.00 -0.02 -0.04 7.74 7.69 2dh6A1 GLU 247 H 0.09 0.83 -0.48 -0.55 8.60 8.49 2dh6A1 GLU 247 HA 0.06 0.09 0.70 -0.75 4.29 4.38 2dh6A1 GLU 247 HB2 0.25 0.15 0.22 -0.04 2.09 2.67 2dh6A1 GLU 247 HB3 0.18 -0.04 0.18 -0.04 1.99 2.27 2dh6A1 GLU 247 HG2 0.02 -0.03 -0.11 -0.04 2.34 2.18 2dh6A1 GLU 247 HG3 0.07 0.02 0.06 -0.04 2.34 2.44 2dh6A1 THR 248 H 0.03 0.20 -0.52 -0.55 8.28 7.45 2dh6A1 THR 248 HA 0.02 0.15 0.26 -0.75 4.39 4.07 2dh6A1 THR 248 HB 0.01 -0.01 -0.03 -0.04 4.32 4.25 2dh6A1 THR 248 HG23 0.01 0.01 0.05 -0.04 1.22 1.25 2dh6A1 ASN 249 H 0.03 0.03 -0.46 -0.55 8.53 7.59 2dh6A1 ASN 249 HA 0.01 0.07 0.54 -0.75 4.76 4.63 2dh6A1 ASN 249 HB2 0.02 0.00 0.16 -0.04 2.88 3.02 2dh6A1 ASN 249 HB3 0.02 -0.06 0.05 -0.04 2.79 2.76 2dh6A1 ASN 249 HD21 0.03 -0.03 -0.03 -0.04 7.03 6.96 2dh6A1 ASN 249 HD22 0.02 -0.01 -0.01 -0.04 7.74 7.70 2dh6A1 VAL 250 H 0.03 0.47 -0.41 -0.55 8.24 7.78 2dh6A1 VAL 250 HA -0.01 0.30 1.02 -0.75 4.13 4.69 2dh6A1 VAL 250 HB 0.09 0.04 0.10 -0.04 2.12 2.30 2dh6A1 VAL 250 HG13 -0.21 0.01 -0.32 -0.04 0.97 0.41 2dh6A1 VAL 250 HG23 0.11 0.01 -0.11 -0.04 0.95 0.92 2dh6A1 GLY 251 H -0.04 0.75 0.35 -0.55 8.43 8.95 2dh6A1 GLY 251 HA2 -0.06 0.10 0.50 -0.51 4.01 4.04 2dh6A1 GLY 251 HA3 -0.05 -0.04 0.35 -0.51 4.01 3.77 2dh6A1 LEU 252 H -0.15 0.27 0.19 -0.55 8.37 8.14 2dh6A1 LEU 252 HA -0.21 0.22 1.02 -0.75 4.35 4.63 2dh6A1 LEU 252 HB2 -0.37 0.39 0.32 -0.04 1.64 1.94 2dh6A1 LEU 252 HB3 -1.09 -0.16 0.02 -0.04 1.64 0.36 2dh6A1 LEU 252 HG -0.30 -0.08 -0.11 -0.04 1.64 1.11 2dh6A1 LEU 252 HD13 -0.07 0.05 -0.51 -0.04 0.93 0.35 2dh6A1 LEU 252 HD23 -0.20 -0.00 -0.17 -0.04 0.89 0.48 2dh6A1 ILE 253 H -0.05 0.37 0.06 -0.55 8.25 8.09 2dh6A1 ILE 253 HA -0.16 0.26 0.75 -0.75 4.18 4.28 2dh6A1 ILE 253 HB -0.05 -0.14 0.06 -0.04 1.89 1.72 2dh6A1 ILE 253 HG12 -0.03 -0.01 -0.18 -0.04 1.49 1.23 2dh6A1 ILE 253 HG13 0.03 -0.02 -0.15 -0.04 1.21 1.02 2dh6A1 ILE 253 HG23 -0.40 -0.00 -0.22 -0.04 0.93 0.27 2dh6A1 ILE 253 HD13 -0.03 0.02 -0.15 -0.04 0.88 0.68 2dh6A1 GLY 254 H -0.26 0.71 0.21 -0.55 8.43 8.54 2dh6A1 GLY 254 HA2 0.04 0.28 0.96 -0.51 4.01 4.79 2dh6A1 GLY 254 HA3 -0.32 -0.06 0.27 -0.51 4.01 3.39 2dh6A1 VAL 255 H 0.00 0.40 0.20 -0.55 8.24 8.29 2dh6A1 VAL 255 HA -0.01 0.30 0.92 -0.75 4.13 4.59 2dh6A1 VAL 255 HB 0.05 -0.16 -0.05 -0.04 2.12 1.92 2dh6A1 VAL 255 HG13 0.11 0.02 -0.43 -0.04 0.97 0.62 2dh6A1 VAL 255 HG23 -0.03 0.03 -0.24 -0.04 0.95 0.67 2dh6A1 GLU 256 H 0.08 0.91 0.45 -0.55 8.60 9.49 2dh6A1 GLU 256 HA 0.08 0.22 1.04 -0.75 4.29 4.88 2dh6A1 GLU 256 HB2 0.13 0.05 0.15 -0.04 2.09 2.38 2dh6A1 GLU 256 HB3 0.11 0.06 0.07 -0.04 1.99 2.19 2dh6A1 GLU 256 HG2 0.32 0.06 -0.02 -0.04 2.34 2.66 2dh6A1 GLU 256 HG3 0.33 -0.02 -0.15 -0.04 2.34 2.46 2dh6A1 PRO 257 HA 0.00 0.00 0.46 -0.51 4.44 4.39 2dh6A1 PRO 257 HB2 -0.08 0.05 0.05 -0.04 2.28 2.26 2dh6A1 PRO 257 HB3 -0.30 -0.05 0.09 -0.04 2.02 1.73 2dh6A1 PRO 257 HG2 -0.19 0.02 0.08 -0.04 2.03 1.89 2dh6A1 PRO 257 HG3 -0.53 -0.01 0.04 -0.04 2.03 1.48 2dh6A1 PRO 257 HD2 -0.01 0.11 0.28 -0.04 3.68 4.03 2dh6A1 PRO 257 HD3 -0.03 0.34 0.33 -0.04 3.65 4.25 2dh6A1 GLY 258 H 0.14 0.03 0.20 -0.55 8.43 8.25 2dh6A1 GLY 258 HA2 0.06 -0.05 0.26 -0.51 4.01 3.77 2dh6A1 GLY 258 HA3 0.05 0.26 0.72 -0.51 4.01 4.53 2dh6A1 VAL 309 HA -0.02 -0.03 0.13 -0.75 4.13 3.46 2dh6A1 VAL 309 HB -0.10 -0.20 0.15 -0.04 2.12 1.93 2dh6A1 VAL 309 HG13 -0.06 0.02 0.04 -0.04 0.97 0.93 2dh6A1 VAL 309 HG23 0.01 0.03 -0.11 -0.04 0.95 0.84 2dh6A1 GLY 310 H -0.02 0.08 0.09 -0.55 8.43 8.04 2dh6A1 GLY 310 HA2 0.06 0.12 0.42 -0.51 4.01 4.10 2dh6A1 GLY 310 HA3 0.11 -0.09 0.35 -0.51 4.01 3.87 2dh6A1 PRO 311 HA 0.10 0.20 0.44 -0.51 4.44 4.67 2dh6A1 PRO 311 HB2 0.06 0.03 -0.01 -0.04 2.28 2.32 2dh6A1 PRO 311 HB3 0.06 0.16 0.12 -0.04 2.02 2.31 2dh6A1 PRO 311 HG2 0.05 -0.20 0.16 -0.04 2.03 2.00 2dh6A1 PRO 311 HG3 0.03 0.04 0.12 -0.04 2.03 2.18 2dh6A1 PRO 311 HD2 0.06 0.01 0.27 -0.04 3.68 3.98 2dh6A1 PRO 311 HD3 0.05 0.28 0.23 -0.04 3.65 4.17 2dh6A1 GLN 312 H 0.11 0.06 -0.11 -0.55 8.47 7.98 2dh6A1 GLN 312 HA 0.08 0.04 0.35 -0.75 4.36 4.08 2dh6A1 GLN 312 HB2 0.07 -0.08 0.21 -0.04 2.15 2.31 2dh6A1 GLN 312 HB3 0.12 0.06 0.09 -0.04 2.02 2.25 2dh6A1 GLN 312 HG2 -0.06 -0.15 0.09 -0.04 2.40 2.24 2dh6A1 GLN 312 HG3 -0.03 0.22 -0.08 -0.04 2.39 2.46 2dh6A1 GLN 312 HE21 -0.01 -0.25 0.11 -0.04 6.97 6.79 2dh6A1 GLN 312 HE22 -0.00 -0.09 0.09 -0.04 7.69 7.65 2dh6A1 HIS 313 H 0.34 0.10 -0.34 -0.55 8.41 7.96 2dh6A1 HIS 313 HA 0.25 0.04 0.37 -0.75 4.63 4.53 2dh6A1 HIS 313 HB2 0.07 0.12 0.03 -0.04 3.26 3.45 2dh6A1 HIS 313 HB3 0.08 0.09 -0.08 -0.04 3.20 3.25 2dh6A1 HIS 313 HD2 0.24 0.10 -0.08 -0.04 6.97 7.18 2dh6A1 HIS 313 HE1 0.08 -0.04 -0.09 -0.04 7.75 7.65 2dh6A1 ALA 314 H 0.19 0.45 -0.09 -0.55 8.40 8.41 2dh6A1 ALA 314 HA 0.09 0.04 0.34 -0.75 4.34 4.05 2dh6A1 ALA 314 HB3 0.10 0.03 0.09 -0.04 1.41 1.59 2dh6A1 TYR 315 H 0.23 0.57 -0.09 -0.55 8.29 8.44 2dh6A1 TYR 315 HA 0.05 0.05 0.38 -0.75 4.56 4.29 2dh6A1 TYR 315 HB2 0.05 -0.03 0.04 -0.04 3.06 3.07 2dh6A1 TYR 315 HB3 0.05 -0.02 0.08 -0.04 2.98 3.05 2dh6A1 TYR 315 HD2 0.05 -0.02 -0.10 -0.04 7.15 7.04 2dh6A1 TYR 315 HE2 0.06 0.02 -0.08 -0.04 6.85 6.81 2dh6A1 LEU 316 H 0.23 0.41 -0.05 -0.55 8.37 8.41 2dh6A1 LEU 316 HA -0.05 -0.00 0.34 -0.75 4.35 3.89 2dh6A1 LEU 316 HB2 0.15 0.05 0.19 -0.04 1.64 1.99 2dh6A1 LEU 316 HB3 0.07 0.02 -0.06 -0.04 1.64 1.62 2dh6A1 LEU 316 HG 0.29 -0.07 -0.01 -0.04 1.64 1.81 2dh6A1 LEU 316 HD13 0.06 -0.04 -0.13 -0.04 0.93 0.77 2dh6A1 LEU 316 HD23 -0.04 0.01 -0.08 -0.04 0.89 0.73 2dh6A1 ASN 317 H 0.10 0.78 -0.22 -0.55 8.53 8.64 2dh6A1 ASN 317 HA 0.10 0.03 0.53 -0.75 4.76 4.67 2dh6A1 ASN 317 HB2 0.04 0.11 0.15 -0.04 2.88 3.14 2dh6A1 ASN 317 HB3 0.01 -0.03 0.03 -0.04 2.79 2.76 2dh6A1 ASN 317 HD21 0.11 -0.20 -0.28 -0.04 7.03 6.62 2dh6A1 ASN 317 HD22 0.08 0.02 -0.32 -0.04 7.74 7.47 2dh6A1 SER 318 H -0.05 0.47 0.05 -0.55 8.46 8.39 2dh6A1 SER 318 HA -0.05 0.03 0.37 -0.75 4.49 4.09 2dh6A1 SER 318 HB2 -0.07 -0.04 0.05 -0.04 3.95 3.85 2dh6A1 SER 318 HB3 -0.04 -0.03 0.13 -0.04 3.93 3.96 2dh6A1 THR 319 H -0.25 0.33 -0.28 -0.55 8.28 7.52 2dh6A1 THR 319 HA -0.16 0.04 0.39 -0.75 4.39 3.91 2dh6A1 THR 319 HB -0.13 0.02 0.08 -0.04 4.32 4.25 2dh6A1 THR 319 HG23 -0.59 0.04 -0.02 -0.04 1.22 0.62 2dh6A1 GLY 320 H -0.07 0.40 -0.53 -0.55 8.43 7.69 2dh6A1 GLY 320 HA2 -0.02 0.06 0.36 -0.51 4.01 3.89 2dh6A1 GLY 320 HA3 -0.03 0.05 0.40 -0.51 4.01 3.92 2dh6A1 ARG 321 H -0.08 0.02 -0.38 -0.55 8.46 7.46 2dh6A1 ARG 321 HA -0.05 0.35 1.18 -0.75 4.34 5.06 2dh6A1 ARG 321 HB2 -0.08 -0.03 0.23 -0.04 1.90 1.97 2dh6A1 ARG 321 HB3 -0.04 0.08 0.02 -0.04 1.80 1.81 2dh6A1 ARG 321 HG2 -0.06 0.17 -0.23 -0.04 1.67 1.51 2dh6A1 ARG 321 HG3 -0.07 -0.14 -0.05 -0.04 1.67 1.38 2dh6A1 ARG 321 HD2 -0.02 -0.05 0.04 -0.04 3.22 3.15 2dh6A1 ARG 321 HD3 -0.01 0.04 0.14 -0.04 3.22 3.36 2dh6A1 ALA 322 H -0.06 0.19 -0.03 -0.55 8.40 7.95 2dh6A1 ALA 322 HA -0.32 0.37 1.08 -0.75 4.34 4.72 2dh6A1 ALA 322 HB3 -0.36 -0.04 -0.04 -0.04 1.41 0.93 2dh6A1 ASP 323 H -0.18 0.63 0.27 -0.55 8.40 8.57 2dh6A1 ASP 323 HA 0.05 0.11 0.74 -0.75 4.63 4.77 2dh6A1 ASP 323 HB2 -0.07 -0.10 0.10 -0.04 2.71 2.60 2dh6A1 ASP 323 HB3 -0.00 0.05 -0.01 -0.04 2.70 2.69 2dh6A1 TYR 324 H 0.37 0.16 0.16 -0.55 8.29 8.42 2dh6A1 TYR 324 HA -0.02 0.27 0.87 -0.75 4.56 4.92 2dh6A1 TYR 324 HB2 0.02 -0.01 0.10 -0.04 3.06 3.12 2dh6A1 TYR 324 HB3 0.03 -0.01 0.07 -0.04 2.98 3.03 2dh6A1 TYR 324 HD2 0.06 0.05 -0.03 -0.04 7.15 7.18 2dh6A1 TYR 324 HE2 0.05 -0.01 -0.09 -0.04 6.85 6.76 2dh6A1 VAL 325 H 0.05 0.50 0.43 -0.55 8.24 8.68 2dh6A1 VAL 325 HA 0.06 0.14 0.60 -0.75 4.13 4.18 2dh6A1 VAL 325 HB 0.07 0.01 0.08 -0.04 2.12 2.23 2dh6A1 VAL 325 HG13 -0.09 0.04 -0.31 -0.04 0.97 0.56 2dh6A1 VAL 325 HG23 -0.36 -0.01 -0.27 -0.04 0.95 0.26 2dh6A1 SER 326 H 0.09 0.21 0.17 -0.55 8.46 8.38 2dh6A1 SER 326 HA 0.09 0.38 1.16 -0.75 4.49 5.37 2dh6A1 SER 326 HB2 0.07 -0.01 -0.03 -0.04 3.95 3.94 2dh6A1 SER 326 HB3 0.07 -0.03 0.01 -0.04 3.93 3.95 2dh6A1 ILE 327 H 0.13 0.49 0.21 -0.55 8.25 8.53 2dh6A1 ILE 327 HA 0.11 0.21 0.82 -0.75 4.18 4.56 2dh6A1 ILE 327 HB 0.21 0.00 -0.16 -0.04 1.89 1.90 2dh6A1 ILE 327 HG12 0.13 0.09 -0.07 -0.04 1.49 1.59 2dh6A1 ILE 327 HG13 0.08 -0.05 -0.00 -0.04 1.21 1.20 2dh6A1 ILE 327 HG23 0.19 -0.06 -0.23 -0.04 0.93 0.79 2dh6A1 ILE 327 HD13 0.19 0.12 -0.19 -0.04 0.88 0.96 2dh6A1 THR 328 H 0.06 0.23 0.15 -0.55 8.28 8.18 2dh6A1 THR 328 HA 0.09 0.07 0.95 -0.75 4.39 4.75 2dh6A1 THR 328 HB 0.04 0.06 0.08 -0.04 4.32 4.45 2dh6A1 THR 328 HG23 0.05 0.08 -0.06 -0.04 1.22 1.24 2dh6A1 ASP 329 H 0.07 0.22 0.19 -0.55 8.40 8.33 2dh6A1 ASP 329 HA -0.01 0.01 0.31 -0.75 4.63 4.19 2dh6A1 ASP 329 HB2 0.02 0.04 0.11 -0.04 2.71 2.84 2dh6A1 ASP 329 HB3 0.01 0.08 0.03 -0.04 2.70 2.78 2dh6A1 ASP 330 H 0.01 0.07 -0.35 -0.55 8.40 7.58 2dh6A1 ASP 330 HA -0.01 0.13 0.54 -0.75 4.63 4.53 2dh6A1 ASP 330 HB2 0.01 -0.04 0.10 -0.04 2.71 2.73 2dh6A1 ASP 330 HB3 0.00 0.09 -0.01 -0.04 2.70 2.75 2dh6A1 GLU 331 H -0.00 0.12 0.04 -0.55 8.60 8.21 2dh6A1 GLU 331 HA -0.00 0.10 0.37 -0.75 4.29 4.01 2dh6A1 GLU 331 HB2 -0.00 -0.09 0.16 -0.04 2.09 2.12 2dh6A1 GLU 331 HB3 0.01 0.07 0.04 -0.04 1.99 2.07 2dh6A1 GLU 331 HG2 0.01 0.10 0.06 -0.04 2.34 2.48 2dh6A1 GLU 331 HG3 0.01 -0.09 0.15 -0.04 2.34 2.37 2dh6A1 ALA 332 H -0.12 0.37 -0.40 -0.55 8.40 7.71 2dh6A1 ALA 332 HA -0.18 0.10 0.18 -0.75 4.34 3.69 2dh6A1 ALA 332 HB3 -0.51 0.01 -0.08 -0.04 1.41 0.79 2dh6A1 LEU 333 H -0.06 0.58 -0.04 -0.55 8.37 8.30 2dh6A1 LEU 333 HA 0.03 -0.06 0.32 -0.75 4.35 3.89 2dh6A1 LEU 333 HB2 -0.01 0.12 0.20 -0.04 1.64 1.90 2dh6A1 LEU 333 HB3 0.00 0.02 -0.02 -0.04 1.64 1.61 2dh6A1 LEU 333 HG -0.08 -0.04 0.08 -0.04 1.64 1.56 2dh6A1 LEU 333 HD13 -0.03 -0.01 -0.05 -0.04 0.93 0.80 2dh6A1 LEU 333 HD23 -0.19 -0.01 -0.01 -0.04 0.89 0.64 2dh6A1 GLU 334 H 0.01 0.64 -0.28 -0.55 8.60 8.43 2dh6A1 GLU 334 HA 0.04 0.03 0.37 -0.75 4.29 3.98 2dh6A1 GLU 334 HB2 0.01 0.04 0.07 -0.04 2.09 2.17 2dh6A1 GLU 334 HB3 0.01 0.09 0.18 -0.04 1.99 2.24 2dh6A1 GLU 334 HG2 0.02 -0.00 -0.01 -0.04 2.34 2.31 2dh6A1 GLU 334 HG3 0.01 -0.02 -0.02 -0.04 2.34 2.26 2dh6A1 ALA 335 H 0.03 0.62 -0.03 -0.55 8.40 8.48 2dh6A1 ALA 335 HA 0.03 0.01 0.34 -0.75 4.34 3.96 2dh6A1 ALA 335 HB3 0.03 -0.01 0.08 -0.04 1.41 1.46 2dh6A1 PHE 336 H 0.17 0.88 0.03 -0.55 8.34 8.87 2dh6A1 PHE 336 HA -0.00 -0.06 0.33 -0.75 4.62 4.12 2dh6A1 PHE 336 HB2 -0.02 -0.11 -0.04 -0.04 3.15 2.94 2dh6A1 PHE 336 HB3 -0.02 0.08 0.10 -0.04 3.06 3.19 2dh6A1 PHE 336 HD2 -0.00 0.01 -0.22 -0.04 7.28 7.03 2dh6A1 PHE 336 HE2 -0.01 0.10 -0.06 -0.04 7.38 7.38 2dh6A1 PHE 336 HZ -0.01 -0.01 -0.02 -0.04 7.32 7.23 2dh6A1 LYS 337 H 0.23 0.72 -0.22 -0.55 8.42 8.59 2dh6A1 LYS 337 HA 0.02 -0.04 0.42 -0.75 4.32 3.97 2dh6A1 LYS 337 HB2 0.10 0.20 0.21 -0.04 1.87 2.34 2dh6A1 LYS 337 HB3 0.06 -0.05 0.00 -0.04 1.79 1.76 2dh6A1 LYS 337 HG2 0.17 -0.05 0.02 -0.04 1.46 1.55 2dh6A1 LYS 337 HG3 0.28 -0.03 0.05 -0.04 1.46 1.73 2dh6A1 LYS 337 HD2 0.07 0.00 -0.07 -0.04 1.69 1.65 2dh6A1 LYS 337 HD3 0.06 0.01 -0.02 -0.04 1.68 1.68 2dh6A1 LYS 337 HE2 0.06 0.01 -0.05 -0.04 2.99 2.97 2dh6A1 LYS 337 HE3 0.06 -0.07 -0.06 -0.04 2.99 2.87 2dh6A1 THR 338 H 0.04 0.60 -0.08 -0.55 8.28 8.29 2dh6A1 THR 338 HA 0.11 0.02 0.43 -0.75 4.39 4.19 2dh6A1 THR 338 HB 0.04 0.01 0.14 -0.04 4.32 4.46 2dh6A1 THR 338 HG23 0.09 -0.02 -0.08 -0.04 1.22 1.17 2dh6A1 LEU 339 H -0.03 0.70 -0.00 -0.55 8.37 8.49 2dh6A1 LEU 339 HA -0.00 -0.05 0.43 -0.75 4.35 3.97 2dh6A1 LEU 339 HB2 -0.04 -0.03 0.06 -0.04 1.64 1.59 2dh6A1 LEU 339 HB3 -0.13 0.15 0.12 -0.04 1.64 1.74 2dh6A1 LEU 339 HG -0.08 0.08 -0.08 -0.04 1.64 1.52 2dh6A1 LEU 339 HD13 -0.02 -0.03 -0.01 -0.04 0.93 0.83 2dh6A1 LEU 339 HD23 -0.05 -0.03 -0.12 -0.04 0.89 0.65 2dh6A1 CYS 340 H -0.20 0.45 -0.19 -0.55 8.50 8.00 2dh6A1 CYS 340 HA -0.16 -0.04 0.24 -0.75 4.58 3.86 2dh6A1 CYS 340 HB2 -0.19 0.16 0.15 -0.04 2.97 3.05 2dh6A1 CYS 340 HB3 -0.16 -0.04 -0.08 -0.04 2.97 2.66 2dh6A1 LEU 341 H -0.12 0.47 -0.12 -0.55 8.37 8.06 2dh6A1 LEU 341 HA -0.17 0.03 0.37 -0.75 4.35 3.84 2dh6A1 LEU 341 HB2 -0.15 0.23 0.20 -0.04 1.64 1.87 2dh6A1 LEU 341 HB3 -0.57 0.03 0.01 -0.04 1.64 1.06 2dh6A1 LEU 341 HG -0.12 -0.03 0.02 -0.04 1.64 1.48 2dh6A1 LEU 341 HD13 -0.23 -0.01 -0.03 -0.04 0.93 0.62 2dh6A1 LEU 341 HD23 -0.18 -0.01 0.06 -0.04 0.89 0.72 2dh6A1 HIS 342 H -0.05 0.48 -0.04 -0.55 8.41 8.25 2dh6A1 HIS 342 HA -0.03 0.22 0.91 -0.75 4.63 4.97 2dh6A1 HIS 342 HB2 -0.04 0.01 0.05 -0.04 3.26 3.24 2dh6A1 HIS 342 HB3 -0.03 -0.14 -0.05 -0.04 3.20 2.93 2dh6A1 HIS 342 HD2 -0.03 0.08 0.08 -0.04 6.97 7.06 2dh6A1 HIS 342 HE1 -0.02 -0.01 -0.06 -0.04 7.75 7.63 2dh6A1 GLU 343 H 0.00 0.39 0.07 -0.55 8.60 8.51 2dh6A1 GLU 343 HA -0.00 0.16 0.95 -0.75 4.29 4.64 2dh6A1 GLU 343 HB2 -0.03 0.15 0.16 -0.04 2.09 2.33 2dh6A1 GLU 343 HB3 -0.02 -0.02 0.06 -0.04 1.99 1.96 2dh6A1 GLU 343 HG2 0.02 -0.02 -0.07 -0.04 2.34 2.23 2dh6A1 GLU 343 HG3 -0.02 -0.02 -0.02 -0.04 2.34 2.24 2dh6A1 GLY 344 H -0.06 0.31 -0.10 -0.55 8.43 8.04 2dh6A1 GLY 344 HA2 -0.07 0.16 0.34 -0.51 4.01 3.94 2dh6A1 GLY 344 HA3 -0.04 0.04 0.48 -0.51 4.01 3.97 2dh6A1 ILE 345 H -0.08 0.36 -0.17 -0.55 8.25 7.82 2dh6A1 ILE 345 HA -0.07 0.19 0.87 -0.75 4.18 4.42 2dh6A1 ILE 345 HB -0.06 -0.06 -0.10 -0.04 1.89 1.63 2dh6A1 ILE 345 HG12 -0.04 0.11 -0.26 -0.04 1.49 1.26 2dh6A1 ILE 345 HG13 -0.04 0.13 -0.48 -0.04 1.21 0.78 2dh6A1 ILE 345 HG23 -0.05 -0.03 -0.29 -0.04 0.93 0.53 2dh6A1 ILE 345 HD13 -0.02 -0.03 -0.12 -0.04 0.88 0.67 2dh6A1 ILE 346 H -0.09 0.19 -0.02 -0.55 8.25 7.78 2dh6A1 ILE 346 HA -0.34 0.16 0.51 -0.75 4.18 3.75 2dh6A1 ILE 346 HB -0.05 -0.11 0.07 -0.04 1.89 1.76 2dh6A1 ILE 346 HG12 -0.07 0.02 -0.01 -0.04 1.49 1.39 2dh6A1 ILE 346 HG13 -0.04 -0.01 -0.03 -0.04 1.21 1.09 2dh6A1 ILE 346 HG23 -0.01 0.03 -0.08 -0.04 0.93 0.83 2dh6A1 ILE 346 HD13 -0.11 0.01 -0.15 -0.04 0.88 0.59 2dh6A1 PRO 347 HA -0.00 0.02 0.45 -0.51 4.44 4.40 2dh6A1 PRO 347 HB2 0.06 -0.09 -0.05 -0.04 2.28 2.15 2dh6A1 PRO 347 HB3 -0.03 0.06 -0.06 -0.04 2.02 1.95 2dh6A1 PRO 347 HG2 0.10 -0.04 -0.06 -0.04 2.03 1.98 2dh6A1 PRO 347 HG3 -0.08 0.06 -0.02 -0.04 2.03 1.95 2dh6A1 PRO 347 HD2 -0.83 0.11 0.26 -0.04 3.68 3.18 2dh6A1 PRO 347 HD3 -0.26 0.44 0.18 -0.04 3.65 3.98 2dh6A1 ALA 348 H 0.06 -0.01 0.09 -0.55 8.40 7.99 2dh6A1 ALA 348 HA 0.12 0.28 0.42 -0.75 4.34 4.40 2dh6A1 ALA 348 HB3 0.05 -0.05 -0.06 -0.04 1.41 1.31 2dh6A1 LEU 349 H 0.08 0.19 0.10 -0.55 8.37 8.19 2dh6A1 LEU 349 HA 0.14 0.18 0.35 -0.75 4.35 4.26 2dh6A1 LEU 349 HB2 0.08 -0.04 0.12 -0.04 1.64 1.76 2dh6A1 LEU 349 HB3 0.19 0.03 -0.00 -0.04 1.64 1.82 2dh6A1 LEU 349 HG -0.02 0.05 0.05 -0.04 1.64 1.67 2dh6A1 LEU 349 HD13 0.00 0.00 0.00 -0.04 0.93 0.90 2dh6A1 LEU 349 HD23 -0.11 0.02 -0.06 -0.04 0.89 0.70 2dh6A1 GLU 350 H 0.09 0.04 -0.11 -0.55 8.60 8.08 2dh6A1 GLU 350 HA 0.06 0.14 0.39 -0.75 4.29 4.13 2dh6A1 GLU 350 HB2 0.03 0.01 0.12 -0.04 2.09 2.21 2dh6A1 GLU 350 HB3 0.05 -0.14 0.10 -0.04 1.99 1.96 2dh6A1 GLU 350 HG2 0.02 0.01 -0.04 -0.04 2.34 2.29 2dh6A1 GLU 350 HG3 -0.01 0.07 -0.00 -0.04 2.34 2.36 2dh6A1 SER 351 H 0.09 -0.03 -0.21 -0.55 8.46 7.76 2dh6A1 SER 351 HA 0.06 0.15 0.47 -0.75 4.49 4.41 2dh6A1 SER 351 HB2 0.07 0.10 0.04 -0.04 3.95 4.12 2dh6A1 SER 351 HB3 0.04 0.15 0.00 -0.04 3.93 4.09 2dh6A1 SER 352 H 0.15 0.45 -0.33 -0.55 8.46 8.18 2dh6A1 SER 352 HA 0.08 0.05 0.27 -0.75 4.49 4.14 2dh6A1 SER 352 HB2 0.09 0.10 0.09 -0.04 3.95 4.19 2dh6A1 SER 352 HB3 0.07 0.06 -0.03 -0.04 3.93 3.99 2dh6A1 HIS 353 H 0.32 0.42 -0.28 -0.55 8.41 8.32 2dh6A1 HIS 353 HA 0.07 0.02 0.39 -0.75 4.63 4.35 2dh6A1 HIS 353 HB2 0.05 0.13 0.06 -0.04 3.26 3.46 2dh6A1 HIS 353 HB3 0.06 -0.01 -0.15 -0.04 3.20 3.05 2dh6A1 HIS 353 HD2 0.05 0.01 -0.18 -0.04 6.97 6.80 2dh6A1 HIS 353 HE1 0.02 -0.05 -0.10 -0.04 7.75 7.58 2dh6A1 ALA 354 H 0.15 0.31 -0.13 -0.55 8.40 8.18 2dh6A1 ALA 354 HA 0.10 0.02 0.28 -0.75 4.34 3.99 2dh6A1 ALA 354 HB3 0.06 0.01 0.03 -0.04 1.41 1.47 2dh6A1 LEU 355 H 0.08 0.70 -0.18 -0.55 8.37 8.42 2dh6A1 LEU 355 HA 0.05 0.03 0.33 -0.75 4.35 4.00 2dh6A1 LEU 355 HB2 0.04 -0.03 -0.07 -0.04 1.64 1.53 2dh6A1 LEU 355 HB3 0.04 0.05 -0.02 -0.04 1.64 1.68 2dh6A1 LEU 355 HG 0.02 0.01 -0.25 -0.04 1.64 1.39 2dh6A1 LEU 355 HD13 0.01 -0.01 -0.03 -0.04 0.93 0.86 2dh6A1 LEU 355 HD23 0.00 0.00 -0.13 -0.04 0.89 0.73 2dh6A1 ALA 356 H 0.06 0.38 -0.41 -0.55 8.40 7.88 2dh6A1 ALA 356 HA 0.02 0.05 0.42 -0.75 4.34 4.08 2dh6A1 ALA 356 HB3 0.03 0.03 -0.00 -0.04 1.41 1.43 2dh6A1 HIS 357 H 0.17 0.47 -0.24 -0.55 8.41 8.27 2dh6A1 HIS 357 HA 0.03 0.05 0.34 -0.75 4.63 4.29 2dh6A1 HIS 357 HB2 0.05 -0.03 -0.04 -0.04 3.26 3.21 2dh6A1 HIS 357 HB3 0.04 0.09 -0.01 -0.04 3.20 3.28 2dh6A1 HIS 357 HD2 0.02 0.01 -0.30 -0.04 6.97 6.65 2dh6A1 HIS 357 HE1 0.03 0.03 -0.07 -0.04 7.75 7.70 2dh6A1 ALA 358 H 0.10 0.38 -0.27 -0.55 8.40 8.06 2dh6A1 ALA 358 HA 0.04 0.04 0.33 -0.75 4.34 4.00 2dh6A1 ALA 358 HB3 0.04 0.03 -0.02 -0.04 1.41 1.41 2dh6A1 LEU 359 H 0.00 0.50 -0.30 -0.55 8.37 8.02 2dh6A1 LEU 359 HA -0.03 0.03 0.31 -0.75 4.35 3.91 2dh6A1 LEU 359 HB2 -0.00 0.14 0.23 -0.04 1.64 1.96 2dh6A1 LEU 359 HB3 -0.02 -0.02 -0.05 -0.04 1.64 1.52 2dh6A1 LEU 359 HG -0.02 0.02 -0.02 -0.04 1.64 1.58 2dh6A1 LEU 359 HD13 -0.02 0.00 -0.08 -0.04 0.93 0.79 2dh6A1 LEU 359 HD23 0.00 -0.01 -0.09 -0.04 0.89 0.76 2dh6A1 LYS 360 H -0.09 0.41 -0.28 -0.55 8.42 7.91 2dh6A1 LYS 360 HA -0.07 0.02 0.44 -0.75 4.32 3.96 2dh6A1 LYS 360 HB2 -0.09 -0.00 0.09 -0.04 1.87 1.83 2dh6A1 LYS 360 HB3 -0.29 0.10 0.12 -0.04 1.79 1.68 2dh6A1 LYS 360 HG2 -0.11 0.02 -0.14 -0.04 1.46 1.19 2dh6A1 LYS 360 HG3 -0.06 -0.02 0.02 -0.04 1.46 1.37 2dh6A1 LYS 360 HD2 -0.09 0.01 -0.02 -0.04 1.69 1.54 2dh6A1 LYS 360 HD3 -0.03 -0.01 -0.02 -0.04 1.68 1.58 2dh6A1 LYS 360 HE2 -0.01 -0.02 -0.01 -0.04 2.99 2.92 2dh6A1 LYS 360 HE3 -0.02 0.04 -0.04 -0.04 2.99 2.93 2dh6A1 MET 361 H -0.21 0.59 -0.12 -0.55 8.47 8.19 2dh6A1 MET 361 HA -0.10 -0.03 0.31 -0.75 4.52 3.95 2dh6A1 MET 361 HB2 -0.05 0.10 0.12 -0.04 2.15 2.28 2dh6A1 MET 361 HB3 -0.03 -0.02 -0.06 -0.04 2.03 1.88 2dh6A1 MET 361 HG2 -0.07 -0.04 -0.02 -0.04 2.63 2.45 2dh6A1 MET 361 HG3 -0.40 0.19 0.03 -0.04 2.56 2.33 2dh6A1 MET 361 HE3 0.04 0.01 -0.11 -0.04 2.10 1.99 2dh6A1 MET 362 H -0.05 0.53 -0.25 -0.55 8.47 8.15 2dh6A1 MET 362 HA -0.03 0.06 0.32 -0.75 4.52 4.11 2dh6A1 MET 362 HB2 -0.03 -0.08 -0.02 -0.04 2.15 1.99 2dh6A1 MET 362 HB3 -0.04 0.04 0.08 -0.04 2.03 2.07 2dh6A1 MET 362 HG2 -0.04 0.06 -0.36 -0.04 2.63 2.26 2dh6A1 MET 362 HG3 -0.03 -0.09 -0.05 -0.04 2.56 2.35 2dh6A1 MET 362 HE3 -0.05 -0.02 -0.04 -0.04 2.10 1.95 2dh6A1 ARG 363 H -0.04 0.56 -0.07 -0.55 8.46 8.35 2dh6A1 ARG 363 HA -0.03 0.02 0.30 -0.75 4.34 3.88 2dh6A1 ARG 363 HB2 -0.04 0.04 0.17 -0.04 1.90 2.03 2dh6A1 ARG 363 HB3 -0.03 -0.08 -0.01 -0.04 1.80 1.64 2dh6A1 ARG 363 HG2 -0.03 -0.03 0.02 -0.04 1.67 1.59 2dh6A1 ARG 363 HG3 -0.04 0.02 0.07 -0.04 1.67 1.67 2dh6A1 ARG 363 HD2 -0.03 0.02 -0.17 -0.04 3.22 2.99 2dh6A1 ARG 363 HD3 -0.02 -0.08 -0.05 -0.04 3.22 3.03 2dh6A1 GLU 364 H -0.04 0.65 -0.27 -0.55 8.60 8.39 2dh6A1 GLU 364 HA -0.02 -0.06 0.40 -0.75 4.29 3.85 2dh6A1 GLU 364 HB2 -0.04 0.22 0.11 -0.04 2.09 2.34 2dh6A1 GLU 364 HB3 -0.02 -0.04 0.02 -0.04 1.99 1.90 2dh6A1 GLU 364 HG2 -0.02 -0.05 -0.01 -0.04 2.34 2.22 2dh6A1 GLU 364 HG3 -0.02 -0.03 0.04 -0.04 2.34 2.28 2dh6A1 ASN 365 H -0.02 0.39 -0.07 -0.55 8.53 8.28 2dh6A1 ASN 365 HA -0.01 0.29 1.23 -0.75 4.76 5.52 2dh6A1 ASN 365 HB2 -0.01 -0.02 0.01 -0.04 2.88 2.83 2dh6A1 ASN 365 HB3 -0.01 -0.02 0.25 -0.04 2.79 2.97 2dh6A1 ASN 365 HD21 -0.00 -0.02 0.02 -0.04 7.03 6.98 2dh6A1 ASN 365 HD22 -0.01 0.02 0.00 -0.04 7.74 7.71 2dh6A1 PRO 366 HA -0.02 0.10 0.41 -0.51 4.44 4.42 2dh6A1 PRO 366 HB2 -0.01 -0.07 0.05 -0.04 2.28 2.20 2dh6A1 PRO 366 HB3 -0.02 0.09 0.15 -0.04 2.02 2.20 2dh6A1 PRO 366 HG2 -0.02 -0.05 0.10 -0.04 2.03 2.01 2dh6A1 PRO 366 HG3 -0.02 0.11 0.06 -0.04 2.03 2.14 2dh6A1 PRO 366 HD2 -0.01 -0.04 0.20 -0.04 3.68 3.78 2dh6A1 PRO 366 HD3 -0.02 0.50 -0.55 -0.04 3.65 3.55 2dh6A1 ASP 367 H -0.01 -0.03 -0.57 -0.55 8.40 7.25 2dh6A1 ASP 367 HA -0.01 0.23 0.99 -0.75 4.63 5.09 2dh6A1 ASP 367 HB2 -0.01 -0.04 0.01 -0.04 2.71 2.63 2dh6A1 ASP 367 HB3 -0.01 -0.02 -0.04 -0.04 2.70 2.59 2dh6A1 LYS 368 H -0.01 0.18 -0.04 -0.55 8.42 8.00 2dh6A1 LYS 368 HA -0.00 -0.04 0.37 -0.75 4.32 3.90 2dh6A1 LYS 368 HB2 -0.00 -0.06 0.14 -0.04 1.87 1.90 2dh6A1 LYS 368 HB3 -0.01 0.09 0.09 -0.04 1.79 1.92 2dh6A1 LYS 368 HG2 0.00 0.04 -0.31 -0.04 1.46 1.16 2dh6A1 LYS 368 HG3 0.00 -0.03 -0.01 -0.04 1.46 1.39 2dh6A1 LYS 368 HD2 -0.00 -0.03 -0.00 -0.04 1.69 1.62 2dh6A1 LYS 368 HD3 0.00 -0.00 -0.06 -0.04 1.68 1.57 2dh6A1 LYS 368 HE2 0.01 0.02 -0.06 -0.04 2.99 2.91 2dh6A1 LYS 368 HE3 0.00 -0.01 -0.03 -0.04 2.99 2.92 2dh6A1 GLU 369 H 0.00 0.06 0.20 -0.55 8.60 8.31 2dh6A1 GLU 369 HA -0.00 0.24 0.59 -0.75 4.29 4.37 2dh6A1 GLU 369 HB2 0.00 0.03 0.16 -0.04 2.09 2.24 2dh6A1 GLU 369 HB3 0.00 -0.10 0.26 -0.04 1.99 2.11 2dh6A1 GLU 369 HG2 0.01 -0.07 -0.04 -0.04 2.34 2.21 2dh6A1 GLU 369 HG3 0.01 0.12 -0.02 -0.04 2.34 2.41 2dh6A1 GLN 370 H 0.00 0.37 -0.00 -0.55 8.47 8.29 2dh6A1 GLN 370 HA 0.01 0.16 0.93 -0.75 4.36 4.71 2dh6A1 GLN 370 HB2 0.01 -0.08 -0.09 -0.04 2.15 1.95 2dh6A1 GLN 370 HB3 0.01 0.01 -0.23 -0.04 2.02 1.77 2dh6A1 GLN 370 HG2 -0.00 0.25 -0.09 -0.04 2.40 2.52 2dh6A1 GLN 370 HG3 0.00 -0.13 -0.12 -0.04 2.39 2.10 2dh6A1 GLN 370 HE21 -0.02 0.21 -0.38 -0.04 6.97 6.74 2dh6A1 GLN 370 HE22 -0.01 0.01 -0.16 -0.04 7.69 7.49 2dh6A1 LEU 371 H 0.02 0.16 0.19 -0.55 8.37 8.19 2dh6A1 LEU 371 HA 0.06 0.23 0.97 -0.75 4.35 4.86 2dh6A1 LEU 371 HB2 0.05 0.08 0.03 -0.04 1.64 1.77 2dh6A1 LEU 371 HB3 0.04 -0.12 0.28 -0.04 1.64 1.80 2dh6A1 LEU 371 HG 0.07 -0.12 -0.17 -0.04 1.64 1.38 2dh6A1 LEU 371 HD13 0.23 0.05 -0.01 -0.04 0.93 1.15 2dh6A1 LEU 371 HD23 0.05 0.07 -0.14 -0.04 0.89 0.83 2dh6A1 LEU 372 H 0.06 0.60 0.33 -0.55 8.37 8.81 2dh6A1 LEU 372 HA 0.02 0.28 1.12 -0.75 4.35 5.02 2dh6A1 LEU 372 HB2 0.03 -0.05 0.00 -0.04 1.64 1.59 2dh6A1 LEU 372 HB3 0.04 -0.04 -0.03 -0.04 1.64 1.57 2dh6A1 LEU 372 HG 0.02 0.01 -0.31 -0.04 1.64 1.32 2dh6A1 LEU 372 HD13 0.01 -0.01 -0.12 -0.04 0.93 0.77 2dh6A1 LEU 372 HD23 0.03 0.01 -0.19 -0.04 0.89 0.69 2dh6A1 VAL 373 H 0.01 0.46 0.39 -0.55 8.24 8.54 2dh6A1 VAL 373 HA 0.10 0.30 1.11 -0.75 4.13 4.89 2dh6A1 VAL 373 HB -0.05 -0.00 0.15 -0.04 2.12 2.18 2dh6A1 VAL 373 HG13 0.02 -0.02 -0.21 -0.04 0.97 0.72 2dh6A1 VAL 373 HG23 0.02 0.01 -0.18 -0.04 0.95 0.76 2dh6A1 VAL 374 H 0.06 0.75 0.37 -0.55 8.24 8.87 2dh6A1 VAL 374 HA 0.02 0.30 1.11 -0.75 4.13 4.81 2dh6A1 VAL 374 HB 0.03 -0.01 0.03 -0.04 2.12 2.13 2dh6A1 VAL 374 HG13 0.03 -0.04 -0.33 -0.04 0.97 0.60 2dh6A1 VAL 374 HG23 0.04 -0.00 -0.20 -0.04 0.95 0.75 2dh6A1 ASN 375 H -0.01 0.61 0.32 -0.55 8.53 8.89 2dh6A1 ASN 375 HA -0.00 0.08 0.68 -0.75 4.76 4.76 2dh6A1 ASN 375 HB2 -0.11 0.11 0.11 -0.04 2.88 2.95 2dh6A1 ASN 375 HB3 -0.07 -0.17 0.20 -0.04 2.79 2.71 2dh6A1 ASN 375 HD21 -0.00 0.08 -0.10 -0.04 7.03 6.97 2dh6A1 ASN 375 HD22 -0.04 -0.14 -0.19 -0.04 7.74 7.32 2dh6A1 LEU 376 H 0.02 0.45 0.34 -0.55 8.37 8.63 2dh6A1 LEU 376 HA 0.02 -0.01 0.77 -0.75 4.35 4.37 2dh6A1 LEU 376 HB2 0.01 0.24 0.15 -0.04 1.64 2.00 2dh6A1 LEU 376 HB3 0.01 -0.11 0.06 -0.04 1.64 1.55 2dh6A1 LEU 376 HG 0.01 -0.10 -0.07 -0.04 1.64 1.43 2dh6A1 LEU 376 HD13 0.02 0.00 -0.15 -0.04 0.93 0.76 2dh6A1 LEU 376 HD23 0.00 0.02 -0.14 -0.04 0.89 0.73 2dh6A1 SER 377 H 0.03 -0.00 0.13 -0.55 8.46 8.07 2dh6A1 SER 377 HA 0.03 0.23 0.38 -0.75 4.49 4.36 2dh6A1 SER 377 HB2 0.02 0.11 0.11 -0.04 3.95 4.15 2dh6A1 SER 377 HB3 0.03 0.08 0.08 -0.04 3.93 4.07 2dh6A1 GLY 378 H 0.01 -0.13 0.07 -0.55 8.43 7.83 2dh6A1 GLY 378 HA2 -0.03 0.24 0.47 -0.51 4.01 4.18 2dh6A1 GLY 378 HA3 -0.04 0.15 0.31 -0.51 4.01 3.92 2dh6A1 ARG 379 H -0.00 0.11 0.12 -0.55 8.46 8.13 2dh6A1 ARG 379 HA -0.02 0.26 0.49 -0.75 4.34 4.32 2dh6A1 ARG 379 HB2 -0.02 -0.12 0.28 -0.04 1.90 2.01 2dh6A1 ARG 379 HB3 -0.01 0.12 0.16 -0.04 1.80 2.02 2dh6A1 ARG 379 HG2 0.00 -0.03 0.17 -0.04 1.67 1.77 2dh6A1 ARG 379 HG3 0.01 -0.09 0.12 -0.04 1.67 1.67 2dh6A1 ARG 379 HD2 0.00 0.06 0.07 -0.04 3.22 3.31 2dh6A1 ARG 379 HD3 0.01 0.04 0.07 -0.04 3.22 3.30 2dh6A1 GLY 380 H -0.01 1.07 -0.05 -0.55 8.43 8.89 2dh6A1 GLY 380 HA2 0.05 -0.07 -0.05 -0.51 4.01 3.44 2dh6A1 GLY 380 HA3 0.00 0.32 0.21 -0.51 4.01 4.04 2dh6A1 ASP 381 H -0.04 0.17 -0.19 -0.55 8.40 7.79 2dh6A1 ASP 381 HA -0.08 0.20 0.85 -0.75 4.63 4.84 2dh6A1 ASP 381 HB2 -0.05 0.03 0.08 -0.04 2.71 2.72 2dh6A1 ASP 381 HB3 -0.08 0.03 0.19 -0.04 2.70 2.80 2dh6A1 LYS 382 H -0.08 0.47 -0.30 -0.55 8.42 7.95 2dh6A1 LYS 382 HA -0.23 0.25 0.88 -0.75 4.32 4.47 2dh6A1 LYS 382 HB2 -0.04 -0.03 0.20 -0.04 1.87 1.96 2dh6A1 LYS 382 HB3 -0.04 0.03 0.11 -0.04 1.79 1.84 2dh6A1 LYS 382 HG2 -0.05 0.15 -0.21 -0.04 1.46 1.30 2dh6A1 LYS 382 HG3 -0.04 -0.16 -0.10 -0.04 1.46 1.12 2dh6A1 LYS 382 HD2 -0.00 0.06 -0.00 -0.04 1.69 1.70 2dh6A1 LYS 382 HD3 -0.01 -0.10 0.06 -0.04 1.68 1.59 2dh6A1 LYS 382 HE2 0.01 -0.03 0.03 -0.04 2.99 2.96 2dh6A1 LYS 382 HE3 -0.00 -0.01 0.04 -0.04 2.99 2.98 2dh6A1 ASP 383 H -0.05 0.54 0.16 -0.55 8.40 8.50 2dh6A1 ASP 383 HA -0.02 0.14 0.88 -0.75 4.63 4.88 2dh6A1 ASP 383 HB2 0.01 -0.01 0.22 -0.04 2.71 2.89 2dh6A1 ASP 383 HB3 0.00 0.03 0.11 -0.04 2.70 2.80 2dh6A1 ILE 384 H -0.24 0.20 -0.77 -0.55 8.25 6.89 2dh6A1 ILE 384 HA 0.05 0.18 0.50 -0.75 4.18 4.15 2dh6A1 ILE 384 HB -0.06 0.14 0.12 -0.04 1.89 2.05 2dh6A1 ILE 384 HG12 0.05 0.05 -0.05 -0.04 1.49 1.50 2dh6A1 ILE 384 HG13 0.12 -0.08 0.01 -0.04 1.21 1.22 2dh6A1 ILE 384 HG23 -0.50 0.02 -0.27 -0.04 0.93 0.14 2dh6A1 ILE 384 HD13 0.16 0.02 0.02 -0.04 0.88 1.05 2dh6A1 PHE 385 H -0.11 0.15 -0.19 -0.55 8.34 7.64 2dh6A1 PHE 385 HA 0.09 0.17 0.52 -0.75 4.62 4.64 2dh6A1 PHE 385 HB2 0.02 0.00 0.15 -0.04 3.15 3.29 2dh6A1 PHE 385 HB3 0.01 0.04 0.02 -0.04 3.06 3.09 2dh6A1 PHE 385 HD2 0.06 -0.01 -0.03 -0.04 7.28 7.26 2dh6A1 PHE 385 HE2 0.04 0.02 0.01 -0.04 7.38 7.42 2dh6A1 PHE 385 HZ 0.03 0.04 0.02 -0.04 7.32 7.37 2dh6A1 THR 386 H 0.12 0.12 -0.10 -0.55 8.28 7.87 2dh6A1 THR 386 HA 0.06 0.11 0.43 -0.75 4.39 4.24 2dh6A1 THR 386 HB 0.02 0.02 0.10 -0.04 4.32 4.41 2dh6A1 THR 386 HG23 0.06 0.02 0.06 -0.04 1.22 1.31 2dh6A1 VAL 387 H 0.01 0.14 -0.80 -0.55 8.24 7.04 2dh6A1 VAL 387 HA -0.11 0.05 0.54 -0.75 4.13 3.86 2dh6A1 VAL 387 HB -0.17 0.18 0.04 -0.04 2.12 2.13 2dh6A1 VAL 387 HG13 -0.54 0.01 -0.12 -0.04 0.97 0.28 2dh6A1 VAL 387 HG23 -0.45 0.03 -0.00 -0.04 0.95 0.48 2dh6A1 HIS 388 H 0.17 0.28 -0.15 -0.55 8.41 8.17 2dh6A1 HIS 388 HA 0.03 0.07 0.37 -0.75 4.63 4.35 2dh6A1 HIS 388 HB2 0.13 0.09 0.19 -0.04 3.26 3.63 2dh6A1 HIS 388 HB3 0.08 0.09 0.18 -0.04 3.20 3.51 2dh6A1 HIS 388 HD2 0.09 -0.01 0.00 -0.04 6.97 7.01 2dh6A1 HIS 388 HE1 0.01 0.02 -0.01 -0.04 7.75 7.73 2dh6A1 ASP 389 H 0.10 0.39 -0.35 -0.55 8.40 8.00 2dh6A1 ASP 389 HA 0.01 0.05 0.41 -0.75 4.63 4.35 2dh6A1 ASP 389 HB2 0.02 0.04 0.16 -0.04 2.71 2.89 2dh6A1 ASP 389 HB3 -0.00 -0.00 0.00 -0.04 2.70 2.66 2dh6A1 ILE 390 H 0.01 0.65 0.04 -0.55 8.25 8.40 2dh6A1 ILE 390 HA 0.00 -0.04 0.37 -0.75 4.18 3.76 2dh6A1 ILE 390 HB -0.04 0.09 0.15 -0.04 1.89 2.04 2dh6A1 ILE 390 HG12 -0.01 0.38 0.27 -0.04 1.49 2.10 2dh6A1 ILE 390 HG13 -0.05 -0.11 0.03 -0.04 1.21 1.04 2dh6A1 ILE 390 HG23 -0.02 -0.02 -0.09 -0.04 0.93 0.76 2dh6A1 ILE 390 HD13 -0.00 -0.04 0.05 -0.04 0.88 0.85 2dh6A1 LEU 391 H 0.02 0.56 -0.57 -0.55 8.37 7.84 2dh6A1 LEU 391 HA 0.01 -0.00 0.43 -0.75 4.35 4.04 2dh6A1 LEU 391 HB2 0.04 0.13 0.05 -0.04 1.64 1.82 2dh6A1 LEU 391 HB3 0.02 -0.03 -0.20 -0.04 1.64 1.39 2dh6A1 LEU 391 HG -0.03 0.00 -0.05 -0.04 1.64 1.52 2dh6A1 LEU 391 HD13 0.01 0.00 -0.12 -0.04 0.93 0.78 2dh6A1 LEU 391 HD23 0.01 -0.01 -0.11 -0.04 0.89 0.74 2dh6A1 LYS 392 H 0.11 0.74 0.15 -0.55 8.42 8.87 2dh6A1 LYS 392 HA 0.06 -0.07 0.41 -0.75 4.32 3.97 2dh6A1 LYS 392 HB2 0.17 0.02 0.13 -0.04 1.87 2.15 2dh6A1 LYS 392 HB3 0.04 -0.03 0.16 -0.04 1.79 1.92 2dh6A1 LYS 392 HG2 0.01 -0.01 -0.12 -0.04 1.46 1.30 2dh6A1 LYS 392 HG3 0.04 -0.01 0.07 -0.04 1.46 1.52 2dh6A1 LYS 392 HD2 -0.06 -0.03 -0.02 -0.04 1.69 1.54 2dh6A1 LYS 392 HD3 -0.01 -0.01 -0.01 -0.04 1.68 1.60 2dh6A1 LYS 392 HE2 0.06 0.01 0.01 -0.04 2.99 3.03 2dh6A1 LYS 392 HE3 0.19 0.01 0.01 -0.04 2.99 3.16 2dh6A1 ALA 393 H 0.03 0.91 -0.17 -0.55 8.40 8.62 2dh6A1 ALA 393 HA 0.01 0.01 0.37 -0.75 4.34 3.97 2dh6A1 ALA 393 HB3 0.01 -0.02 0.05 -0.04 1.41 1.41 2dh6A1 ARG 394 H 0.01 0.52 0.10 -0.55 8.46 8.54 2dh6A1 ARG 394 HA 0.01 -0.01 0.30 -0.75 4.34 3.89 2dh6A1 ARG 394 HB2 0.01 0.09 0.17 -0.04 1.90 2.13 2dh6A1 ARG 394 HB3 0.01 -0.06 0.21 -0.04 1.80 1.92 2dh6A1 ARG 394 HG2 0.01 -0.05 0.09 -0.04 1.67 1.67 2dh6A1 ARG 394 HG3 0.01 -0.04 0.16 -0.04 1.67 1.76 2dh6A1 ARG 394 HD2 0.00 -0.11 0.04 -0.04 3.22 3.11 2dh6A1 ARG 394 HD3 -0.00 0.12 -0.03 -0.04 3.22 3.27 2dh6A1 GLY 395 H 0.02 0.46 -1.41 -0.55 8.43 6.94 2dh6A1 GLY 395 HA2 0.02 0.07 0.38 -0.51 4.01 3.97 2dh6A1 GLY 395 HA3 0.01 -0.00 0.39 -0.51 4.01 3.90 2dh6A1 GLU 396 H 0.01 0.13 -0.72 -0.55 8.60 7.48 2dh6A1 GLU 396 HA 0.01 0.05 0.35 -0.75 4.29 3.94 2dh6A1 GLU 396 HB2 0.01 -0.05 -0.07 -0.04 2.09 1.94 2dh6A1 GLU 396 HB3 0.01 -0.01 0.03 -0.04 1.99 1.98 2dh6A1 GLU 396 HG2 0.01 0.03 0.02 -0.04 2.34 2.36 2dh6A1 GLU 396 HG3 0.01 0.03 -0.01 -0.04 2.34 2.33 2dh6A1 ILE 397 H 0.03 0.30 -0.73 -0.55 8.25 7.30 2dh6A1 ILE 397 HA 0.02 0.01 0.02 -0.75 4.18 3.48 2dh6A1 ILE 397 HB 0.07 -0.07 -0.40 -0.04 1.89 1.45 2dh6A1 ILE 397 HG12 0.03 -0.00 -0.02 -0.04 1.49 1.45 2dh6A1 ILE 397 HG13 0.14 -0.04 -0.00 -0.04 1.21 1.26 2dh6A1 ILE 397 HG23 0.04 0.02 0.00 -0.04 0.93 0.95 2dh6A1 ILE 397 HD13 0.05 0.01 -0.00 -0.04 0.88 0.89