============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 15 0.840 115.217 -0.709 5.053 -99.200 -91.000 TYR 25 0.840 104.439 0.963 17.599 -99.200 -91.000 TYR 28 0.840 105.570 11.944 17.915 -99.200 -91.000 TRP 33 1.040 119.904 9.205 1.441 -99.200 -91.000 TRP6 33 1.020 119.889 6.968 0.658 -99.200 -91.000 HIS 48 0.900 117.142 20.356 18.752 -99.200 -91.000 PHE 54 1.000 119.328 15.099 31.693 -99.200 -91.000 TYR 70 0.840 112.105 0.904 18.924 -99.200 -91.000 PHE 77 1.000 130.748 6.797 8.857 -99.200 -91.000 PHE 82 1.000 141.139 3.942 16.168 -99.200 -91.000 PHE 112 1.000 117.498 3.526 25.766 -99.200 -91.000 TYR 113 0.840 117.352 -1.843 19.935 -99.200 -91.000 PHE 121 1.000 130.109 -10.021 21.035 -99.200 -91.000 PHE 135 1.000 130.114 -7.367 25.417 -99.200 -91.000 TYR 136 0.840 140.810 -7.251 24.024 -99.200 -91.000 TYR 141 0.840 130.985 2.318 16.496 -99.200 -91.000 PHE 147 1.000 129.035 5.031 29.796 -99.200 -91.000 HIS 149 0.900 125.657 -4.741 26.471 -99.200 -91.000 TRP 150 1.040 129.167 -3.741 30.038 -99.200 -91.000 TRP6 150 1.020 128.175 -5.668 31.026 -99.200 -91.000 TYR 155 0.840 120.009 4.508 34.143 -99.200 -91.000 TYR 159 0.840 117.994 3.461 38.683 -99.200 -91.000 PHE 162 1.000 110.537 -4.021 27.969 -99.200 -91.000 PHE 169 1.000 127.645 -10.584 15.685 -99.200 -91.000 HIS 171 0.900 122.083 -4.070 11.022 -99.200 -91.000 PHE 180 1.000 128.644 2.085 7.015 -99.200 -91.000 TYR 187 0.840 126.941 4.263 -6.852 -99.200 -91.000 TYR 194 0.840 124.852 0.086 -17.088 -99.200 -91.000 TRP 211 1.040 128.485 -8.252 5.180 -99.200 -91.000 TRP6 211 1.020 130.222 -9.366 4.005 -99.200 -91.000 TYR 213 0.840 116.537 -7.089 3.219 -99.200 -91.000 TYR 217 0.840 120.421 -8.438 11.153 -99.200 -91.000 TRP 222 1.040 107.343 -3.880 17.149 -99.200 -91.000 TRP6 222 1.020 106.229 -5.908 16.664 -99.200 -91.000 TYR 233 0.840 116.525 -11.271 23.287 -99.200 -91.000 HIS 241 0.900 128.053 -16.113 2.898 -99.200 -91.000 PHE 246 1.000 128.333 -7.894 -0.659 -99.200 -91.000 PHE 256 1.000 131.507 -6.829 -14.574 -99.200 -91.000 TRP 260 1.040 137.977 -14.312 -7.023 -99.200 -91.000 TRP6 260 1.020 138.043 -11.965 -6.723 -99.200 -91.000 PHE 285 1.000 140.884 1.089 0.329 -99.200 -91.000 PHE 286 1.000 146.811 -7.752 2.546 -99.200 -91.000 TRP 304 1.040 114.853 -11.661 13.916 -99.200 -91.000 TRP6 304 1.020 117.101 -12.242 13.489 -99.200 -91.000 PHE 310 1.000 126.685 -13.154 1.188 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2z1mB1 LYS 4 HA -0.03 -0.06 0.26 -0.75 4.32 3.74 2z1mB1 LYS 4 HB2 -0.52 0.02 0.01 -0.04 1.87 1.34 2z1mB1 LYS 4 HB3 -0.09 -0.03 -0.12 -0.04 1.79 1.52 2z1mB1 LYS 4 HG2 -0.02 -0.01 0.07 -0.04 1.46 1.46 2z1mB1 LYS 4 HG3 -0.09 -0.01 0.05 -0.04 1.46 1.38 2z1mB1 LYS 4 HD2 -0.10 0.00 -0.03 -0.04 1.69 1.52 2z1mB1 LYS 4 HD3 0.04 0.01 -0.03 -0.04 1.68 1.66 2z1mB1 LYS 4 HE2 -0.02 0.05 -0.00 -0.04 2.99 2.98 2z1mB1 LYS 4 HE3 -0.03 -0.00 0.02 -0.04 2.99 2.94 2z1mB1 ARG 5 H 0.09 0.11 0.21 -0.55 8.46 8.33 2z1mB1 ARG 5 HA 0.26 0.30 1.03 -0.75 4.34 5.17 2z1mB1 ARG 5 HB2 0.08 0.00 0.18 -0.04 1.90 2.12 2z1mB1 ARG 5 HB3 0.14 -0.00 -0.05 -0.04 1.80 1.84 2z1mB1 ARG 5 HG2 0.27 -0.02 -0.01 -0.04 1.67 1.87 2z1mB1 ARG 5 HG3 0.10 -0.03 -0.06 -0.04 1.67 1.64 2z1mB1 ARG 5 HD2 -0.01 0.27 -0.00 -0.04 3.22 3.44 2z1mB1 ARG 5 HD3 0.08 -0.07 -0.02 -0.04 3.22 3.16 2z1mB1 ALA 6 H 0.33 0.72 0.41 -0.55 8.40 9.31 2z1mB1 ALA 6 HA 0.25 0.24 1.13 -0.75 4.34 5.20 2z1mB1 ALA 6 HB3 0.16 -0.01 -0.03 -0.04 1.41 1.48 2z1mB1 LEU 7 H 0.19 0.79 0.41 -0.55 8.37 9.21 2z1mB1 LEU 7 HA 0.18 0.26 1.02 -0.75 4.35 5.05 2z1mB1 LEU 7 HB2 0.04 0.07 -0.06 -0.04 1.64 1.65 2z1mB1 LEU 7 HB3 0.09 0.03 0.15 -0.04 1.64 1.87 2z1mB1 LEU 7 HG 0.08 -0.13 -0.34 -0.04 1.64 1.21 2z1mB1 LEU 7 HD13 0.08 0.02 -0.20 -0.04 0.93 0.79 2z1mB1 LEU 7 HD23 0.02 0.00 -0.14 -0.04 0.89 0.73 2z1mB1 ILE 8 H 0.10 0.79 0.34 -0.55 8.25 8.93 2z1mB1 ILE 8 HA 0.14 0.20 1.08 -0.75 4.18 4.84 2z1mB1 ILE 8 HB 0.01 -0.01 0.13 -0.04 1.89 1.99 2z1mB1 ILE 8 HG12 -0.09 -0.00 -0.14 -0.04 1.49 1.22 2z1mB1 ILE 8 HG13 0.03 0.01 -0.39 -0.04 1.21 0.83 2z1mB1 ILE 8 HG23 -0.01 -0.03 -0.16 -0.04 0.93 0.69 2z1mB1 ILE 8 HD13 -0.14 0.01 -0.18 -0.04 0.88 0.53 2z1mB1 THR 9 H 0.10 0.52 0.32 -0.55 8.28 8.66 2z1mB1 THR 9 HA 0.03 0.13 0.96 -0.75 4.39 4.76 2z1mB1 THR 9 HB 0.04 -0.04 0.15 -0.04 4.32 4.43 2z1mB1 THR 9 HG23 0.07 0.07 -0.04 -0.04 1.22 1.28 2z1mB1 GLY 10 H 0.01 0.25 0.20 -0.55 8.43 8.34 2z1mB1 GLY 10 HA2 0.00 0.01 0.33 -0.51 4.01 3.83 2z1mB1 GLY 10 HA3 0.01 0.11 0.27 -0.51 4.01 3.89 2z1mB1 ILE 11 H -0.01 0.29 -0.11 -0.55 8.25 7.87 2z1mB1 ILE 11 HA -0.05 0.06 0.12 -0.75 4.18 3.55 2z1mB1 ILE 11 HB -0.01 0.13 0.06 -0.04 1.89 2.03 2z1mB1 ILE 11 HG12 -0.04 0.05 -0.16 -0.04 1.49 1.30 2z1mB1 ILE 11 HG13 -0.07 -0.04 -0.22 -0.04 1.21 0.83 2z1mB1 ILE 11 HG23 -0.02 0.04 -0.18 -0.04 0.93 0.73 2z1mB1 ILE 11 HD13 -0.06 0.03 -0.12 -0.04 0.88 0.68 2z1mB1 ARG 12 H -0.04 0.01 -0.44 -0.55 8.46 7.44 2z1mB1 ARG 12 HA -0.14 0.15 0.44 -0.75 4.34 4.03 2z1mB1 ARG 12 HB2 -0.02 -0.04 0.04 -0.04 1.90 1.83 2z1mB1 ARG 12 HB3 -0.06 -0.03 0.13 -0.04 1.80 1.80 2z1mB1 ARG 12 HG2 -0.06 0.06 -0.03 -0.04 1.67 1.61 2z1mB1 ARG 12 HG3 -0.03 -0.02 -0.02 -0.04 1.67 1.57 2z1mB1 ARG 12 HD2 0.01 0.00 0.12 -0.04 3.22 3.31 2z1mB1 ARG 12 HD3 0.00 0.08 0.64 -0.04 3.22 3.91 2z1mB1 GLY 13 H -0.07 0.45 -0.28 -0.55 8.43 7.99 2z1mB1 GLY 13 HA2 -0.07 0.13 0.58 -0.51 4.01 4.13 2z1mB1 GLY 13 HA3 -0.05 0.01 0.33 -0.51 4.01 3.79 2z1mB1 GLN 14 H -0.06 0.13 0.13 -0.55 8.47 8.12 2z1mB1 GLN 14 HA -0.19 0.13 0.33 -0.75 4.36 3.88 2z1mB1 GLN 14 HB2 -0.03 0.08 -0.03 -0.04 2.15 2.13 2z1mB1 GLN 14 HB3 -0.05 -0.05 0.10 -0.04 2.02 1.99 2z1mB1 GLN 14 HG2 0.17 0.03 -0.39 -0.04 2.40 2.18 2z1mB1 GLN 14 HG3 0.16 -0.04 -0.17 -0.04 2.39 2.30 2z1mB1 GLN 14 HE21 -0.27 0.40 0.02 -0.04 6.97 7.08 2z1mB1 GLN 14 HE22 -0.11 -0.02 -0.07 -0.04 7.69 7.45 2z1mB1 ASP 15 H -0.01 0.07 -0.16 -0.55 8.40 7.75 2z1mB1 ASP 15 HA 0.10 0.08 0.29 -0.75 4.63 4.34 2z1mB1 ASP 15 HB2 0.06 0.03 0.03 -0.04 2.71 2.79 2z1mB1 ASP 15 HB3 0.06 0.09 -0.07 -0.04 2.70 2.75 2z1mB1 GLY 16 H -0.04 0.04 -0.22 -0.55 8.43 7.67 2z1mB1 GLY 16 HA2 -0.07 0.06 0.31 -0.51 4.01 3.80 2z1mB1 GLY 16 HA3 -0.06 0.13 0.11 -0.51 4.01 3.68 2z1mB1 ALA 17 H -0.16 0.47 -0.38 -0.55 8.40 7.77 2z1mB1 ALA 17 HA -0.18 0.09 0.35 -0.75 4.34 3.84 2z1mB1 ALA 17 HB3 -0.37 0.01 -0.11 -0.04 1.41 0.90 2z1mB1 TYR 18 H -0.12 0.40 -0.11 -0.55 8.29 7.91 2z1mB1 TYR 18 HA -0.11 0.08 0.42 -0.75 4.56 4.20 2z1mB1 TYR 18 HB2 -0.10 0.02 0.06 -0.04 3.06 3.00 2z1mB1 TYR 18 HB3 -0.11 -0.02 -0.05 -0.04 2.98 2.76 2z1mB1 TYR 18 HD2 -0.10 0.05 -0.07 -0.04 7.15 6.99 2z1mB1 TYR 18 HE2 -0.06 -0.05 -0.04 -0.04 6.85 6.65 2z1mB1 LEU 19 H -0.04 0.58 -0.20 -0.55 8.37 8.16 2z1mB1 LEU 19 HA -0.16 0.02 0.39 -0.75 4.35 3.84 2z1mB1 LEU 19 HB2 -0.17 -0.06 0.04 -0.04 1.64 1.41 2z1mB1 LEU 19 HB3 -0.18 0.06 0.05 -0.04 1.64 1.52 2z1mB1 LEU 19 HG -0.47 0.04 -0.25 -0.04 1.64 0.92 2z1mB1 LEU 19 HD13 -0.43 -0.00 -0.05 -0.04 0.93 0.41 2z1mB1 LEU 19 HD23 -0.74 -0.02 -0.12 -0.04 0.89 -0.02 2z1mB1 ALA 20 H -0.13 0.61 -0.21 -0.55 8.40 8.12 2z1mB1 ALA 20 HA -0.14 0.01 0.35 -0.75 4.34 3.81 2z1mB1 ALA 20 HB3 -0.10 0.03 0.03 -0.04 1.41 1.33 2z1mB1 LYS 21 H -0.09 0.49 -0.23 -0.55 8.42 8.03 2z1mB1 LYS 21 HA -0.07 0.03 0.36 -0.75 4.32 3.88 2z1mB1 LYS 21 HB2 -0.06 0.01 0.10 -0.04 1.87 1.88 2z1mB1 LYS 21 HB3 0.00 0.09 0.17 -0.04 1.79 2.02 2z1mB1 LYS 21 HG2 -0.02 -0.01 -0.19 -0.04 1.46 1.20 2z1mB1 LYS 21 HG3 -0.03 0.04 0.01 -0.04 1.46 1.43 2z1mB1 LYS 21 HD2 0.01 0.02 0.01 -0.04 1.69 1.68 2z1mB1 LYS 21 HD3 0.10 -0.09 0.00 -0.04 1.68 1.65 2z1mB1 LYS 21 HE2 0.00 0.07 -0.01 -0.04 2.99 3.01 2z1mB1 LYS 21 HE3 0.05 -0.03 -0.00 -0.04 2.99 2.97 2z1mB1 LEU 22 H -0.10 0.55 -0.08 -0.55 8.37 8.18 2z1mB1 LEU 22 HA -0.15 -0.00 0.33 -0.75 4.35 3.76 2z1mB1 LEU 22 HB2 -0.14 -0.06 0.06 -0.04 1.64 1.47 2z1mB1 LEU 22 HB3 -0.22 0.07 0.10 -0.04 1.64 1.55 2z1mB1 LEU 22 HG -0.51 0.06 -0.27 -0.04 1.64 0.88 2z1mB1 LEU 22 HD13 -0.25 -0.01 -0.02 -0.04 0.93 0.61 2z1mB1 LEU 22 HD23 -0.19 -0.02 -0.13 -0.04 0.89 0.51 2z1mB1 LEU 23 H -0.24 0.64 -0.17 -0.55 8.37 8.05 2z1mB1 LEU 23 HA -0.39 0.04 0.30 -0.75 4.35 3.54 2z1mB1 LEU 23 HB2 -0.24 0.05 0.02 -0.04 1.64 1.43 2z1mB1 LEU 23 HB3 -0.50 -0.00 -0.07 -0.04 1.64 1.03 2z1mB1 LEU 23 HG -0.42 0.13 -0.04 -0.04 1.64 1.27 2z1mB1 LEU 23 HD13 -0.48 -0.03 -0.16 -0.04 0.93 0.21 2z1mB1 LEU 23 HD23 -0.71 -0.01 -0.12 -0.04 0.89 0.02 2z1mB1 LEU 24 H -0.10 0.56 -0.15 -0.55 8.37 8.14 2z1mB1 LEU 24 HA 0.01 0.17 0.49 -0.75 4.35 4.26 2z1mB1 LEU 24 HB2 -0.06 0.11 0.17 -0.04 1.64 1.82 2z1mB1 LEU 24 HB3 -0.03 -0.05 0.03 -0.04 1.64 1.54 2z1mB1 LEU 24 HG -0.05 0.01 0.01 -0.04 1.64 1.57 2z1mB1 LEU 24 HD13 -0.06 -0.05 -0.16 -0.04 0.93 0.63 2z1mB1 LEU 24 HD23 -0.03 0.07 0.06 -0.04 0.89 0.95 2z1mB1 GLU 25 H -0.08 0.50 -0.14 -0.55 8.60 8.34 2z1mB1 GLU 25 HA -0.04 0.00 0.44 -0.75 4.29 3.93 2z1mB1 GLU 25 HB2 -0.12 0.17 0.14 -0.04 2.09 2.23 2z1mB1 GLU 25 HB3 -0.08 -0.08 0.03 -0.04 1.99 1.82 2z1mB1 GLU 25 HG2 -0.04 -0.06 0.04 -0.04 2.34 2.23 2z1mB1 GLU 25 HG3 -0.05 0.09 0.05 -0.04 2.34 2.38 2z1mB1 LYS 26 H -0.08 0.29 -0.43 -0.55 8.42 7.65 2z1mB1 LYS 26 HA -0.05 0.08 0.74 -0.75 4.32 4.34 2z1mB1 LYS 26 HB2 0.02 0.05 0.09 -0.04 1.87 1.99 2z1mB1 LYS 26 HB3 0.06 -0.03 0.12 -0.04 1.79 1.90 2z1mB1 LYS 26 HG2 -0.30 -0.04 -0.04 -0.04 1.46 1.04 2z1mB1 LYS 26 HG3 -0.37 0.14 -0.04 -0.04 1.46 1.14 2z1mB1 LYS 26 HD2 -1.40 -0.04 -0.11 -0.04 1.69 0.10 2z1mB1 LYS 26 HD3 -1.21 0.01 -0.05 -0.04 1.68 0.39 2z1mB1 LYS 26 HE2 -0.80 -0.04 -0.08 -0.04 2.99 2.04 2z1mB1 LYS 26 HE3 -2.47 -0.05 -0.08 -0.04 2.99 0.36 2z1mB1 GLY 27 H 0.03 0.43 -0.39 -0.55 8.43 7.95 2z1mB1 GLY 27 HA2 0.01 0.01 0.31 -0.51 4.01 3.83 2z1mB1 GLY 27 HA3 -0.01 0.01 0.48 -0.51 4.01 3.98 2z1mB1 TYR 28 H 0.26 0.40 -0.03 -0.55 8.29 8.38 2z1mB1 TYR 28 HA 0.04 0.31 0.71 -0.75 4.56 4.87 2z1mB1 TYR 28 HB2 -0.01 -0.06 -0.23 -0.04 3.06 2.72 2z1mB1 TYR 28 HB3 0.04 -0.01 -0.21 -0.04 2.98 2.76 2z1mB1 TYR 28 HD2 0.05 0.03 -0.23 -0.04 7.15 6.96 2z1mB1 TYR 28 HE2 0.23 -0.03 -0.15 -0.04 6.85 6.87 2z1mB1 GLU 29 H 0.13 0.63 0.33 -0.55 8.60 9.14 2z1mB1 GLU 29 HA 0.01 0.11 0.83 -0.75 4.29 4.49 2z1mB1 GLU 29 HB2 0.19 -0.02 0.17 -0.04 2.09 2.40 2z1mB1 GLU 29 HB3 0.04 -0.05 0.02 -0.04 1.99 1.96 2z1mB1 GLU 29 HG2 0.02 -0.01 0.04 -0.04 2.34 2.35 2z1mB1 GLU 29 HG3 0.05 0.12 0.01 -0.04 2.34 2.48 2z1mB1 VAL 30 H -0.09 0.26 0.13 -0.55 8.24 7.99 2z1mB1 VAL 30 HA 0.12 0.24 1.07 -0.75 4.13 4.80 2z1mB1 VAL 30 HB -0.05 0.04 0.08 -0.04 2.12 2.15 2z1mB1 VAL 30 HG13 -0.03 -0.05 -0.22 -0.04 0.97 0.63 2z1mB1 VAL 30 HG23 -0.00 0.04 -0.29 -0.04 0.95 0.66 2z1mB1 TYR 31 H 0.29 0.78 0.41 -0.55 8.29 9.23 2z1mB1 TYR 31 HA 0.02 0.28 1.02 -0.75 4.56 5.12 2z1mB1 TYR 31 HB2 0.04 -0.02 0.17 -0.04 3.06 3.21 2z1mB1 TYR 31 HB3 0.03 -0.03 -0.00 -0.04 2.98 2.93 2z1mB1 TYR 31 HD2 0.04 0.06 -0.10 -0.04 7.15 7.10 2z1mB1 TYR 31 HE2 0.03 0.00 -0.10 -0.04 6.85 6.75 2z1mB1 GLY 32 H 0.06 0.69 0.19 -0.55 8.43 8.83 2z1mB1 GLY 32 HA2 0.05 0.20 1.03 -0.51 4.01 4.78 2z1mB1 GLY 32 HA3 0.01 -0.05 0.23 -0.51 4.01 3.69 2z1mB1 ALA 33 H 0.04 0.62 0.34 -0.55 8.40 8.85 2z1mB1 ALA 33 HA 0.02 0.37 0.76 -0.75 4.34 4.73 2z1mB1 ALA 33 HB3 0.01 -0.04 0.03 -0.04 1.41 1.37 2z1mB1 ASP 34 H -0.02 0.69 0.31 -0.55 8.40 8.84 2z1mB1 ASP 34 HA -0.01 0.09 0.76 -0.75 4.63 4.72 2z1mB1 SER 42 HA 0.02 -0.08 0.28 -0.75 4.49 3.96 2z1mB1 SER 42 HB2 -0.05 0.06 0.07 -0.04 3.95 3.98 2z1mB1 SER 42 HB3 -0.07 0.05 0.08 -0.04 3.93 3.95 2z1mB1 TRP 43 H 0.27 0.16 0.13 -0.55 7.97 7.98 2z1mB1 TRP 43 HA -0.01 0.13 0.48 -0.75 4.62 4.46 2z1mB1 TRP 43 HB2 -0.01 0.07 0.09 -0.04 3.23 3.34 2z1mB1 TRP 43 HB3 -0.01 0.05 0.14 -0.04 3.23 3.37 2z1mB1 TRP 43 HD1 -0.00 0.01 0.09 -0.04 7.22 7.28 2z1mB1 TRP 43 HE1 0.01 -0.05 0.04 -0.04 10.20 10.16 2z1mB1 TRP 43 HE3 -0.01 0.00 -0.19 -0.04 7.59 7.35 2z1mB1 TRP 43 HZ2 0.02 -0.05 -0.06 -0.04 7.44 7.31 2z1mB1 TRP 43 HZ3 0.00 0.05 -0.07 -0.04 7.13 7.08 2z1mB1 TRP 43 HH2 0.02 0.11 -0.01 -0.04 7.19 7.26 2z1mB1 ARG 44 H -0.90 0.10 -0.17 -0.55 8.46 6.95 2z1mB1 ARG 44 HA -0.81 0.11 0.40 -0.75 4.34 3.29 2z1mB1 ARG 44 HB2 -0.64 0.06 -0.01 -0.04 1.90 1.27 2z1mB1 ARG 44 HB3 -0.64 0.01 -0.12 -0.04 1.80 1.01 2z1mB1 ARG 44 HG2 -2.08 0.01 -0.01 -0.04 1.67 -0.45 2z1mB1 ARG 44 HG3 -2.09 -0.04 0.04 -0.04 1.67 -0.47 2z1mB1 ARG 44 HD2 -0.46 0.18 -0.30 -0.04 3.22 2.60 2z1mB1 ARG 44 HD3 -0.52 -0.07 -0.23 -0.04 3.22 2.36 2z1mB1 LEU 45 H -0.25 0.13 -0.24 -0.55 8.37 7.45 2z1mB1 LEU 45 HA -0.18 0.11 0.36 -0.75 4.35 3.88 2z1mB1 LEU 45 HB2 -0.10 0.14 0.01 -0.04 1.64 1.65 2z1mB1 LEU 45 HB3 -0.09 -0.02 -0.16 -0.04 1.64 1.32 2z1mB1 LEU 45 HG -0.17 -0.09 -0.07 -0.04 1.64 1.27 2z1mB1 LEU 45 HD13 -0.07 0.02 -0.13 -0.04 0.93 0.71 2z1mB1 LEU 45 HD23 -0.14 0.03 -0.12 -0.04 0.89 0.61 2z1mB1 LYS 46 H -0.06 0.46 -0.23 -0.55 8.42 8.04 2z1mB1 LYS 46 HA -0.01 -0.03 0.53 -0.75 4.32 4.05 2z1mB1 GLU 47 H 0.01 0.61 -0.04 -0.55 8.60 8.64 2z1mB1 GLU 47 HA 0.05 0.04 0.33 -0.75 4.29 3.96 2z1mB1 GLU 47 HB2 0.20 0.02 0.13 -0.04 2.09 2.39 2z1mB1 GLU 47 HB3 -0.06 0.03 0.16 -0.04 1.99 2.08 2z1mB1 GLU 47 HG2 0.03 -0.04 -0.15 -0.04 2.34 2.13 2z1mB1 GLU 47 HG3 0.08 0.03 0.03 -0.04 2.34 2.43 2z1mB1 LEU 48 H -0.11 0.30 -0.42 -0.55 8.37 7.60 2z1mB1 LEU 48 HA -0.04 0.09 0.55 -0.75 4.35 4.20 2z1mB1 LEU 48 HB2 -0.14 -0.00 0.03 -0.04 1.64 1.49 2z1mB1 LEU 48 HB3 -0.09 -0.00 0.05 -0.04 1.64 1.56 2z1mB1 LEU 48 HG -0.30 0.14 -0.03 -0.04 1.64 1.41 2z1mB1 LEU 48 HD13 -0.39 -0.03 -0.21 -0.04 0.93 0.26 2z1mB1 LEU 48 HD23 -0.11 -0.01 -0.09 -0.04 0.89 0.63 2z1mB1 GLY 49 H -0.04 0.39 -0.41 -0.55 8.43 7.82 2z1mB1 GLY 49 HA2 -0.02 0.01 0.35 -0.51 4.01 3.85 2z1mB1 GLY 49 HA3 -0.02 0.07 0.41 -0.51 4.01 3.96 2z1mB1 ILE 50 H -0.06 0.55 0.04 -0.55 8.25 8.23 2z1mB1 ILE 50 HA -0.04 0.26 0.87 -0.75 4.18 4.51 2z1mB1 ILE 50 HB -0.06 -0.02 0.03 -0.04 1.89 1.79 2z1mB1 ILE 50 HG12 -0.09 0.01 -0.12 -0.04 1.49 1.25 2z1mB1 ILE 50 HG13 -0.09 -0.06 -0.20 -0.04 1.21 0.81 2z1mB1 ILE 50 HG23 -0.05 0.06 -0.22 -0.04 0.93 0.68 2z1mB1 ILE 50 HD13 -0.11 -0.01 -0.11 -0.04 0.88 0.61 2z1mB1 GLU 51 H -0.04 0.19 -0.11 -0.55 8.60 8.09 2z1mB1 GLU 51 HA -0.05 0.05 0.24 -0.75 4.29 3.78 2z1mB1 GLU 51 HB2 -0.03 -0.05 -0.23 -0.04 2.09 1.73 2z1mB1 GLU 51 HB3 -0.02 0.04 -0.06 -0.04 1.99 1.92 2z1mB1 GLU 51 HG2 -0.02 0.05 -0.00 -0.04 2.34 2.33 2z1mB1 GLU 51 HG3 -0.03 -0.05 0.00 -0.04 2.34 2.22 2z1mB1 ASN 52 H -0.03 0.10 -0.34 -0.55 8.53 7.72 2z1mB1 ASN 52 HA -0.03 0.21 0.78 -0.75 4.76 4.97 2z1mB1 ASN 52 HB2 -0.02 0.03 -0.03 -0.04 2.88 2.82 2z1mB1 ASN 52 HB3 -0.02 0.03 0.10 -0.04 2.79 2.87 2z1mB1 ASN 52 HD21 -0.01 -0.01 -0.05 -0.04 7.03 6.92 2z1mB1 ASN 52 HD22 -0.01 0.05 -0.04 -0.04 7.74 7.70 2z1mB1 ASP 53 H -0.04 0.35 -0.35 -0.55 8.40 7.81 2z1mB1 ASP 53 HA -0.05 0.18 0.77 -0.75 4.63 4.78 2z1mB1 ASP 53 HB2 -0.05 0.06 0.06 -0.04 2.71 2.74 2z1mB1 ASP 53 HB3 -0.04 0.03 0.12 -0.04 2.70 2.76 2z1mB1 VAL 54 H -0.06 0.13 -0.16 -0.55 8.24 7.61 2z1mB1 VAL 54 HA -0.10 0.28 0.90 -0.75 4.13 4.45 2z1mB1 VAL 54 HB -0.06 -0.03 0.00 -0.04 2.12 1.99 2z1mB1 VAL 54 HG13 -0.05 -0.03 -0.38 -0.04 0.97 0.47 2z1mB1 VAL 54 HG23 -0.07 0.01 -0.15 -0.04 0.95 0.69 2z1mB1 LYS 55 H -0.22 0.70 0.30 -0.55 8.42 8.66 2z1mB1 LYS 55 HA -0.08 0.09 0.75 -0.75 4.32 4.33 2z1mB1 LYS 55 HB2 -0.58 -0.03 0.15 -0.04 1.87 1.36 2z1mB1 LYS 55 HB3 -0.13 0.01 0.00 -0.04 1.79 1.63 2z1mB1 LYS 55 HG2 -0.16 0.01 -0.11 -0.04 1.46 1.16 2z1mB1 LYS 55 HG3 -0.32 0.09 -0.01 -0.04 1.46 1.17 2z1mB1 LYS 55 HD2 -0.88 0.00 -0.07 -0.04 1.69 0.70 2z1mB1 LYS 55 HD3 -0.20 -0.02 -0.04 -0.04 1.68 1.37 2z1mB1 LYS 55 HE2 -0.09 -0.02 -0.04 -0.04 2.99 2.79 2z1mB1 LYS 55 HE3 -0.17 0.04 -0.02 -0.04 2.99 2.80 2z1mB1 ILE 56 H -0.01 0.21 0.17 -0.55 8.25 8.06 2z1mB1 ILE 56 HA 0.03 0.17 0.71 -0.75 4.18 4.35 2z1mB1 ILE 56 HB 0.02 -0.00 0.12 -0.04 1.89 1.98 2z1mB1 ILE 56 HG12 -0.01 0.16 -0.05 -0.04 1.49 1.55 2z1mB1 ILE 56 HG13 -0.00 -0.04 -0.08 -0.04 1.21 1.04 2z1mB1 ILE 56 HG23 0.03 -0.03 -0.17 -0.04 0.93 0.72 2z1mB1 ILE 56 HD13 -0.01 -0.03 -0.24 -0.04 0.88 0.55 2z1mB1 ILE 57 H 0.07 0.73 0.39 -0.55 8.25 8.89 2z1mB1 ILE 57 HA 0.08 0.15 0.80 -0.75 4.18 4.46 2z1mB1 ILE 57 HB 0.08 0.03 0.04 -0.04 1.89 2.00 2z1mB1 ILE 57 HG12 0.14 0.06 -0.16 -0.04 1.49 1.49 2z1mB1 ILE 57 HG13 0.06 -0.16 -0.20 -0.04 1.21 0.88 2z1mB1 ILE 57 HG23 0.16 0.02 -0.23 -0.04 0.93 0.84 2z1mB1 ILE 57 HD13 0.04 0.01 -0.15 -0.04 0.88 0.75 2z1mB1 HIS 58 H 0.15 0.16 0.14 -0.55 8.41 8.30 2z1mB1 HIS 58 HA 0.02 0.22 0.66 -0.75 4.63 4.78 2z1mB1 HIS 58 HB2 0.02 0.02 0.10 -0.04 3.26 3.35 2z1mB1 HIS 58 HB3 0.01 0.01 0.13 -0.04 3.20 3.30 2z1mB1 HIS 58 HD2 0.01 0.02 -0.01 -0.04 6.97 6.96 2z1mB1 HIS 58 HE1 0.01 -0.08 -0.11 -0.04 7.75 7.52 2z1mB1 MET 59 H -0.39 0.46 0.23 -0.55 8.47 8.22 2z1mB1 MET 59 HA -0.18 0.07 0.14 -0.75 4.52 3.79 2z1mB1 MET 59 HB2 -0.04 0.17 -0.11 -0.04 2.15 2.12 2z1mB1 MET 59 HB3 -0.07 -0.13 -0.05 -0.04 2.03 1.75 2z1mB1 MET 59 HG2 -0.05 -0.08 -0.16 -0.04 2.63 2.30 2z1mB1 MET 59 HG3 -0.04 0.11 -0.03 -0.04 2.56 2.56 2z1mB1 MET 59 HE3 0.01 -0.03 -0.13 -0.04 2.10 1.92 2z1mB1 ASP 60 H -0.11 0.26 0.02 -0.55 8.40 8.02 2z1mB1 ASP 60 HA -0.09 0.14 0.92 -0.75 4.63 4.84 2z1mB1 ASP 60 HB2 -0.08 0.08 -0.07 -0.04 2.71 2.60 2z1mB1 ASP 60 HB3 0.02 -0.01 0.11 -0.04 2.70 2.78 2z1mB1 LEU 61 H -0.01 0.16 0.07 -0.55 8.37 8.04 2z1mB1 LEU 61 HA 0.02 0.18 0.38 -0.75 4.35 4.17 2z1mB1 LEU 61 HB2 0.01 -0.09 0.09 -0.04 1.64 1.61 2z1mB1 LEU 61 HB3 0.02 0.07 0.09 -0.04 1.64 1.79 2z1mB1 LEU 61 HG 0.04 0.13 0.03 -0.04 1.64 1.80 2z1mB1 LEU 61 HD13 0.02 -0.01 -0.11 -0.04 0.93 0.78 2z1mB1 LEU 61 HD23 0.05 0.03 -0.08 -0.04 0.89 0.85 2z1mB1 LEU 62 H 0.02 -0.04 -0.58 -0.55 8.37 7.21 2z1mB1 LEU 62 HA 0.02 0.16 0.34 -0.75 4.35 4.12 2z1mB1 LEU 62 HB2 0.03 -0.01 -0.03 -0.04 1.64 1.59 2z1mB1 LEU 62 HB3 0.02 0.03 0.04 -0.04 1.64 1.70 2z1mB1 LEU 62 HG 0.02 -0.09 -0.06 -0.04 1.64 1.47 2z1mB1 LEU 62 HD13 0.02 0.01 -0.02 -0.04 0.93 0.90 2z1mB1 LEU 62 HD23 0.01 0.02 -0.13 -0.04 0.89 0.75 2z1mB1 GLU 63 H 0.04 0.45 -0.25 -0.55 8.60 8.29 2z1mB1 GLU 63 HA 0.08 0.16 0.82 -0.75 4.29 4.60 2z1mB1 GLU 63 HB2 0.05 0.04 -0.27 -0.04 2.09 1.87 2z1mB1 GLU 63 HB3 0.06 -0.03 -0.01 -0.04 1.99 1.97 2z1mB1 GLU 63 HG2 0.07 0.04 0.09 -0.04 2.34 2.50 2z1mB1 GLU 63 HG3 0.05 0.07 -0.02 -0.04 2.34 2.40 2z1mB1 PHE 64 H 0.19 0.15 0.15 -0.55 8.34 8.29 2z1mB1 PHE 64 HA -0.00 0.19 0.40 -0.75 4.62 4.46 2z1mB1 PHE 64 HB2 -0.00 0.06 0.05 -0.04 3.15 3.21 2z1mB1 PHE 64 HB3 0.00 -0.02 0.12 -0.04 3.06 3.12 2z1mB1 PHE 64 HD2 -0.01 -0.03 -0.05 -0.04 7.28 7.15 2z1mB1 PHE 64 HE2 -0.02 0.08 -0.03 -0.04 7.38 7.37 2z1mB1 PHE 64 HZ -0.02 0.12 -0.21 -0.04 7.32 7.18 2z1mB1 SER 65 H 0.09 0.09 0.07 -0.55 8.46 8.16 2z1mB1 SER 65 HA -0.18 0.15 0.34 -0.75 4.49 4.04 2z1mB1 SER 65 HB2 0.00 0.09 0.05 -0.04 3.95 4.05 2z1mB1 SER 65 HB3 0.07 0.03 0.11 -0.04 3.93 4.10 2z1mB1 ASN 66 H -0.01 0.06 -0.27 -0.55 8.53 7.75 2z1mB1 ASN 66 HA -0.01 0.13 0.45 -0.75 4.76 4.57 2z1mB1 ASN 66 HB2 0.11 0.07 0.03 -0.04 2.88 3.05 2z1mB1 ASN 66 HB3 0.06 -0.03 0.03 -0.04 2.79 2.81 2z1mB1 ASN 66 HD21 0.02 0.34 0.16 -0.04 7.03 7.51 2z1mB1 ASN 66 HD22 0.04 -0.16 -0.11 -0.04 7.74 7.47 2z1mB1 ILE 67 H -0.14 0.22 -0.35 -0.55 8.25 7.44 2z1mB1 ILE 67 HA -0.08 0.02 0.48 -0.75 4.18 3.86 2z1mB1 ILE 67 HB -0.28 0.16 0.11 -0.04 1.89 1.85 2z1mB1 ILE 67 HG12 -0.04 -0.13 -0.09 -0.04 1.49 1.19 2z1mB1 ILE 67 HG13 -0.05 0.07 0.08 -0.04 1.21 1.27 2z1mB1 ILE 67 HG23 -0.08 0.00 -0.16 -0.04 0.93 0.65 2z1mB1 ILE 67 HD13 0.02 -0.03 -0.09 -0.04 0.88 0.75 2z1mB1 ILE 68 H -0.44 0.38 -0.02 -0.55 8.25 7.62 2z1mB1 ILE 68 HA -0.20 0.07 0.41 -0.75 4.18 3.70 2z1mB1 ILE 68 HB -0.27 0.11 0.18 -0.04 1.89 1.87 2z1mB1 ILE 68 HG12 -0.86 -0.02 0.08 -0.04 1.49 0.65 2z1mB1 ILE 68 HG13 -0.47 -0.06 0.00 -0.04 1.21 0.65 2z1mB1 ILE 68 HG23 -0.08 0.01 -0.17 -0.04 0.93 0.65 2z1mB1 ILE 68 HD13 -0.04 0.03 0.04 -0.04 0.88 0.87 2z1mB1 ARG 69 H -0.11 0.36 -0.26 -0.55 8.46 7.90 2z1mB1 ARG 69 HA -0.05 0.05 0.36 -0.75 4.34 3.95 2z1mB1 THR 70 H -0.05 0.50 -0.11 -0.55 8.28 8.07 2z1mB1 THR 70 HA -0.02 0.00 0.45 -0.75 4.39 4.07 2z1mB1 THR 70 HB -0.04 0.09 0.19 -0.04 4.32 4.53 2z1mB1 THR 70 HG23 -0.01 -0.03 -0.14 -0.04 1.22 1.00 2z1mB1 ILE 71 H -0.07 0.58 -0.16 -0.55 8.25 8.06 2z1mB1 ILE 71 HA -0.05 -0.01 0.33 -0.75 4.18 3.70 2z1mB1 ILE 71 HB -0.06 0.10 0.07 -0.04 1.89 1.95 2z1mB1 ILE 71 HG12 -0.07 0.20 -0.03 -0.04 1.49 1.55 2z1mB1 ILE 71 HG13 -0.05 -0.04 -0.16 -0.04 1.21 0.92 2z1mB1 ILE 71 HG23 -0.03 0.01 -0.18 -0.04 0.93 0.70 2z1mB1 ILE 71 HD13 -0.01 -0.02 -0.09 -0.04 0.88 0.72 2z1mB1 GLU 72 H -0.05 0.53 -0.08 -0.55 8.60 8.45 2z1mB1 GLU 72 HA -0.03 0.06 0.39 -0.75 4.29 3.95 2z1mB1 GLU 72 HB2 -0.04 0.02 0.16 -0.04 2.09 2.19 2z1mB1 GLU 72 HB3 -0.03 -0.04 -0.02 -0.04 1.99 1.86 2z1mB1 GLU 72 HG2 -0.03 0.02 0.03 -0.04 2.34 2.33 2z1mB1 GLU 72 HG3 -0.04 0.04 0.03 -0.04 2.34 2.33 2z1mB1 LYS 73 H -0.04 0.53 -0.19 -0.55 8.42 8.16 2z1mB1 LYS 73 HA -0.03 0.00 0.42 -0.75 4.32 3.96 2z1mB1 LYS 73 HB2 -0.03 0.08 0.19 -0.04 1.87 2.07 2z1mB1 LYS 73 HB3 -0.03 -0.06 -0.05 -0.04 1.79 1.62 2z1mB1 LYS 73 HG2 -0.01 -0.04 0.01 -0.04 1.46 1.38 2z1mB1 LYS 73 HG3 -0.02 0.06 0.02 -0.04 1.46 1.48 2z1mB1 LYS 73 HD2 0.00 -0.01 -0.04 -0.04 1.69 1.61 2z1mB1 LYS 73 HD3 0.01 -0.03 -0.02 -0.04 1.68 1.60 2z1mB1 LYS 73 HE2 0.00 -0.03 -0.03 -0.04 2.99 2.89 2z1mB1 LYS 73 HE3 -0.01 0.01 -0.07 -0.04 2.99 2.89 2z1mB1 VAL 74 H -0.10 0.57 -0.03 -0.55 8.24 8.13 2z1mB1 VAL 74 HA -0.33 0.03 0.36 -0.75 4.13 3.43 2z1mB1 VAL 74 HB -0.18 0.05 0.04 -0.04 2.12 1.98 2z1mB1 VAL 74 HG13 -0.72 -0.03 -0.22 -0.04 0.97 -0.03 2z1mB1 VAL 74 HG23 -0.24 -0.02 -0.04 -0.04 0.95 0.61 2z1mB1 GLN 75 H -0.08 0.51 -0.16 -0.55 8.47 8.19 2z1mB1 GLN 75 HA -0.04 0.06 0.29 -0.75 4.36 3.92 2z1mB1 GLN 75 HB2 -0.04 0.09 0.01 -0.04 2.15 2.16 2z1mB1 GLN 75 HB3 -0.02 -0.07 0.17 -0.04 2.02 2.05 2z1mB1 GLN 75 HG2 -0.04 0.23 -0.15 -0.04 2.40 2.41 2z1mB1 GLN 75 HG3 -0.02 -0.11 -0.02 -0.04 2.39 2.20 2z1mB1 GLN 75 HE21 -0.02 -0.07 0.02 -0.04 6.97 6.87 2z1mB1 GLN 75 HE22 -0.03 0.33 0.17 -0.04 7.69 8.12 2z1mB1 PRO 76 HA 0.01 0.06 0.24 -0.51 4.44 4.24 2z1mB1 PRO 76 HB2 0.06 0.07 -0.18 -0.04 2.28 2.18 2z1mB1 PRO 76 HB3 0.00 -0.06 -0.15 -0.04 2.02 1.77 2z1mB1 PRO 76 HG2 0.02 0.05 -0.09 -0.04 2.03 1.97 2z1mB1 PRO 76 HG3 -0.00 -0.08 -0.07 -0.04 2.03 1.83 2z1mB1 PRO 76 HD2 -0.04 0.14 0.12 -0.04 3.68 3.86 2z1mB1 PRO 76 HD3 -0.09 0.00 -0.02 -0.04 3.65 3.50 2z1mB1 ASP 77 H 0.09 0.47 0.41 -0.55 8.40 8.82 2z1mB1 ASP 77 HA 0.03 0.15 0.84 -0.75 4.63 4.89 2z1mB1 ASP 77 HB2 0.12 0.02 0.19 -0.04 2.71 3.00 2z1mB1 ASP 77 HB3 0.04 0.01 0.12 -0.04 2.70 2.84 2z1mB1 GLU 78 H 0.14 0.36 0.29 -0.55 8.60 8.83 2z1mB1 GLU 78 HA 0.00 0.30 0.93 -0.75 4.29 4.76 2z1mB1 GLU 78 HB2 0.29 -0.09 0.04 -0.04 2.09 2.29 2z1mB1 GLU 78 HB3 -0.07 -0.04 -0.10 -0.04 1.99 1.74 2z1mB1 GLU 78 HG2 -0.02 0.11 -0.06 -0.04 2.34 2.32 2z1mB1 GLU 78 HG3 0.15 -0.05 -0.43 -0.04 2.34 1.97 2z1mB1 VAL 79 H -0.03 0.84 0.31 -0.55 8.24 8.81 2z1mB1 VAL 79 HA 0.13 0.25 1.11 -0.75 4.13 4.86 2z1mB1 VAL 79 HB 0.26 0.06 0.13 -0.04 2.12 2.53 2z1mB1 VAL 79 HG13 0.19 -0.05 -0.17 -0.04 0.97 0.90 2z1mB1 VAL 79 HG23 0.09 0.01 -0.17 -0.04 0.95 0.84 2z1mB1 TYR 80 H 0.26 0.66 0.32 -0.55 8.29 8.97 2z1mB1 TYR 80 HA 0.02 0.18 0.97 -0.75 4.56 4.97 2z1mB1 TYR 80 HB2 -0.01 -0.04 0.18 -0.04 3.06 3.15 2z1mB1 TYR 80 HB3 -0.01 -0.06 -0.04 -0.04 2.98 2.83 2z1mB1 TYR 80 HD2 -0.20 -0.01 -0.20 -0.04 7.15 6.70 2z1mB1 TYR 80 HE2 -0.10 0.05 -0.32 -0.04 6.85 6.43 2z1mB1 ASN 81 H -0.16 0.85 0.24 -0.55 8.53 8.92 2z1mB1 ASN 81 HA 0.09 -0.05 0.79 -0.75 4.76 4.84 2z1mB1 ASN 81 HB2 0.20 0.06 0.08 -0.04 2.88 3.18 2z1mB1 ASN 81 HB3 -0.06 0.02 0.33 -0.04 2.79 3.04 2z1mB1 ASN 81 HD21 0.10 0.04 -0.06 -0.04 7.03 7.07 2z1mB1 ASN 81 HD22 0.13 -0.01 0.06 -0.04 7.74 7.88 2z1mB1 LEU 82 H 0.09 0.42 0.19 -0.55 8.37 8.52 2z1mB1 LEU 82 HA 0.09 0.18 0.76 -0.75 4.35 4.63 2z1mB1 LEU 82 HB2 0.04 0.18 0.07 -0.04 1.64 1.89 2z1mB1 LEU 82 HB3 0.06 -0.16 0.08 -0.04 1.64 1.58 2z1mB1 LEU 82 HG 0.10 0.17 -0.13 -0.04 1.64 1.74 2z1mB1 LEU 82 HD13 -0.01 -0.04 -0.26 -0.04 0.93 0.59 2z1mB1 LEU 82 HD23 0.20 -0.01 -0.35 -0.04 0.89 0.69 2z1mB1 ALA 83 H 0.05 0.02 -0.26 -0.55 8.40 7.67 2z1mB1 ALA 83 HA 0.02 -0.03 0.41 -0.75 4.34 4.00 2z1mB1 ALA 83 HB3 0.03 -0.04 0.01 -0.04 1.41 1.37 2z1mB1 ALA 84 H 0.02 0.17 0.20 -0.55 8.40 8.24 2z1mB1 ALA 84 HA 0.05 0.10 0.42 -0.75 4.34 4.14 2z1mB1 ALA 84 HB3 0.08 0.08 -0.23 -0.04 1.41 1.30 2z1mB1 GLN 85 H 0.06 0.22 0.05 -0.55 8.47 8.24 2z1mB1 GLN 85 HA 0.02 0.08 0.76 -0.75 4.36 4.46 2z1mB1 GLN 85 HB2 0.05 0.04 0.11 -0.04 2.15 2.31 2z1mB1 GLN 85 HB3 0.08 0.03 0.22 -0.04 2.02 2.31 2z1mB1 GLN 85 HG2 0.08 0.03 0.03 -0.04 2.40 2.50 2z1mB1 GLN 85 HG3 0.06 0.04 -0.05 -0.04 2.39 2.40 2z1mB1 GLN 85 HE21 0.08 0.29 -0.08 -0.04 6.97 7.22 2z1mB1 GLN 85 HE22 0.08 0.02 -0.11 -0.04 7.69 7.65 2z1mB1 SER 86 H -0.23 0.18 -0.02 -0.55 8.46 7.85 2z1mB1 SER 86 HA -0.19 0.26 0.53 -0.75 4.49 4.34 2z1mB1 SER 86 HB2 -0.19 0.00 0.10 -0.04 3.95 3.82 2z1mB1 SER 86 HB3 -0.08 0.08 -0.11 -0.04 3.93 3.79 2z1mB1 PHE 87 H -0.13 0.10 -0.16 -0.55 8.34 7.59 2z1mB1 PHE 87 HA -0.17 0.18 0.77 -0.75 4.62 4.64 2z1mB1 PHE 87 HB2 -0.06 0.01 0.10 -0.04 3.15 3.16 2z1mB1 PHE 87 HB3 -0.08 -0.09 0.03 -0.04 3.06 2.87 2z1mB1 PHE 87 HD2 -0.15 0.01 0.02 -0.04 7.28 7.12 2z1mB1 PHE 87 HE2 -0.51 0.03 -0.02 -0.04 7.38 6.84 2z1mB1 PHE 87 HZ -0.10 -0.00 0.01 -0.04 7.32 7.19 2z1mB1 VAL 88 H 0.04 0.23 0.21 -0.55 8.24 8.16 2z1mB1 VAL 88 HA 0.02 0.04 0.37 -0.75 4.13 3.80 2z1mB1 VAL 88 HB 0.11 0.01 0.17 -0.04 2.12 2.37 2z1mB1 VAL 88 HG13 0.24 0.02 -0.09 -0.04 0.97 1.09 2z1mB1 VAL 88 HG23 0.05 0.02 0.04 -0.04 0.95 1.02 2z1mB1 GLY 89 H 0.12 0.09 0.00 -0.55 8.43 8.10 2z1mB1 GLY 89 HA2 0.29 0.17 0.42 -0.51 4.01 4.38 2z1mB1 GLY 89 HA3 0.10 0.11 0.31 -0.51 4.01 4.02 2z1mB1 VAL 90 H 0.10 0.01 -0.24 -0.55 8.24 7.56 2z1mB1 VAL 90 HA 0.07 0.12 0.43 -0.75 4.13 4.00 2z1mB1 VAL 90 HB 0.17 0.00 0.03 -0.04 2.12 2.28 2z1mB1 VAL 90 HG13 0.09 0.02 -0.07 -0.04 0.97 0.96 2z1mB1 VAL 90 HG23 -0.02 0.01 0.02 -0.04 0.95 0.92 2z1mB1 SER 91 H 0.08 0.28 -0.45 -0.55 8.46 7.81 2z1mB1 SER 91 HA 0.03 0.06 0.16 -0.75 4.49 3.98 2z1mB1 SER 91 HB2 -0.00 -0.04 -0.05 -0.04 3.95 3.82 2z1mB1 SER 91 HB3 0.07 0.17 0.06 -0.04 3.93 4.19 2z1mB1 PHE 92 H 0.17 0.32 -0.28 -0.55 8.34 7.99 2z1mB1 PHE 92 HA 0.04 0.06 0.68 -0.75 4.62 4.64 2z1mB1 PHE 92 HB2 0.03 0.13 0.17 -0.04 3.15 3.44 2z1mB1 PHE 92 HB3 0.03 0.02 0.03 -0.04 3.06 3.09 2z1mB1 PHE 92 HD2 0.04 0.03 0.09 -0.04 7.28 7.39 2z1mB1 PHE 92 HE2 0.05 -0.01 0.03 -0.04 7.38 7.40 2z1mB1 PHE 92 HZ 0.06 0.27 0.20 -0.04 7.32 7.81 2z1mB1 GLU 93 H 0.15 0.24 -0.13 -0.55 8.60 8.32 2z1mB1 GLU 93 HA 0.08 0.11 0.66 -0.75 4.29 4.39 2z1mB1 GLU 93 HB2 0.06 0.02 0.14 -0.04 2.09 2.27 2z1mB1 GLU 93 HB3 0.05 -0.02 0.07 -0.04 1.99 2.04 2z1mB1 GLU 93 HG2 0.06 0.02 0.02 -0.04 2.34 2.40 2z1mB1 GLU 93 HG3 0.09 0.13 0.08 -0.04 2.34 2.60 2z1mB1 GLN 94 H 0.06 0.49 -0.14 -0.55 8.47 8.33 2z1mB1 GLN 94 HA 0.03 0.20 0.88 -0.75 4.36 4.72 2z1mB1 GLN 94 HB2 0.04 0.03 0.09 -0.04 2.15 2.28 2z1mB1 GLN 94 HB3 0.03 -0.18 0.16 -0.04 2.02 1.98 2z1mB1 GLN 94 HG2 0.03 0.20 -0.33 -0.04 2.40 2.26 2z1mB1 GLN 94 HG3 0.04 -0.02 -0.08 -0.04 2.39 2.29 2z1mB1 GLN 94 HE21 0.02 0.01 -0.00 -0.04 6.97 6.96 2z1mB1 GLN 94 HE22 0.03 0.00 -0.02 -0.04 7.69 7.66 2z1mB1 PRO 95 HA -0.02 0.06 0.46 -0.51 4.44 4.43 2z1mB1 PRO 95 HB2 -0.02 -0.01 -0.01 -0.04 2.28 2.21 2z1mB1 PRO 95 HB3 -0.03 0.09 0.17 -0.04 2.02 2.20 2z1mB1 PRO 95 HG2 0.01 -0.07 0.07 -0.04 2.03 2.01 2z1mB1 PRO 95 HG3 0.03 0.13 0.06 -0.04 2.03 2.20 2z1mB1 PRO 95 HD2 0.03 0.19 -0.12 -0.04 3.68 3.74 2z1mB1 PRO 95 HD3 0.05 0.31 -0.50 -0.04 3.65 3.46 2z1mB1 ILE 96 H 0.00 0.19 -0.14 -0.55 8.25 7.74 2z1mB1 ILE 96 HA -0.03 0.12 0.43 -0.75 4.18 3.95 2z1mB1 ILE 96 HB -0.00 -0.02 0.09 -0.04 1.89 1.92 2z1mB1 ILE 96 HG12 -0.02 0.04 0.01 -0.04 1.49 1.49 2z1mB1 ILE 96 HG13 -0.01 -0.05 0.02 -0.04 1.21 1.13 2z1mB1 ILE 96 HG23 -0.02 0.02 -0.10 -0.04 0.93 0.79 2z1mB1 ILE 96 HD13 -0.00 0.03 0.02 -0.04 0.88 0.88 2z1mB1 LEU 97 H 0.01 0.13 -0.11 -0.55 8.37 7.86 2z1mB1 LEU 97 HA 0.00 0.07 0.47 -0.75 4.35 4.14 2z1mB1 LEU 97 HB2 0.02 0.04 0.09 -0.04 1.64 1.75 2z1mB1 LEU 97 HB3 0.02 0.08 0.09 -0.04 1.64 1.79 2z1mB1 LEU 97 HG 0.03 -0.04 -0.26 -0.04 1.64 1.33 2z1mB1 LEU 97 HD13 0.02 0.00 0.02 -0.04 0.93 0.93 2z1mB1 LEU 97 HD23 0.03 0.01 -0.02 -0.04 0.89 0.87 2z1mB1 THR 98 H 0.01 0.57 -0.20 -0.55 8.28 8.11 2z1mB1 THR 98 HA 0.03 -0.06 0.46 -0.75 4.39 4.07 2z1mB1 THR 98 HB 0.00 0.17 0.12 -0.04 4.32 4.56 2z1mB1 THR 98 HG23 0.08 -0.02 -0.11 -0.04 1.22 1.13 2z1mB1 ALA 99 H -0.03 0.59 -0.13 -0.55 8.40 8.28 2z1mB1 ALA 99 HA -0.08 -0.03 0.44 -0.75 4.34 3.91 2z1mB1 ALA 99 HB3 -0.10 0.04 0.14 -0.04 1.41 1.45 2z1mB1 GLU 100 H -0.04 0.57 -0.12 -0.55 8.60 8.46 2z1mB1 GLU 100 HA -0.06 0.00 0.43 -0.75 4.29 3.90 2z1mB1 GLU 100 HB2 -0.01 0.04 0.20 -0.04 2.09 2.28 2z1mB1 GLU 100 HB3 -0.01 -0.00 0.01 -0.04 1.99 1.95 2z1mB1 GLU 100 HG2 -0.04 0.11 0.05 -0.04 2.34 2.42 2z1mB1 GLU 100 HG3 -0.01 -0.03 0.00 -0.04 2.34 2.25 2z1mB1 VAL 101 H -0.01 0.51 -0.15 -0.55 8.24 8.04 2z1mB1 VAL 101 HA 0.01 0.10 0.54 -0.75 4.13 4.03 2z1mB1 VAL 101 HB 0.02 0.02 0.14 -0.04 2.12 2.27 2z1mB1 VAL 101 HG13 0.03 -0.01 -0.21 -0.04 0.97 0.74 2z1mB1 VAL 101 HG23 0.02 0.03 -0.03 -0.04 0.95 0.92 2z1mB1 ASP 102 H -0.00 0.76 0.14 -0.55 8.40 8.75 2z1mB1 ASP 102 HA 0.02 0.14 0.42 -0.75 4.63 4.45 2z1mB1 ASP 102 HB2 -0.02 0.07 0.03 -0.04 2.71 2.75 2z1mB1 ASP 102 HB3 -0.06 -0.01 -0.03 -0.04 2.70 2.56 2z1mB1 ALA 103 H -0.06 0.35 -0.12 -0.55 8.40 8.03 2z1mB1 ALA 103 HA 0.14 0.21 0.95 -0.75 4.34 4.88 2z1mB1 ALA 103 HB3 -0.41 0.01 0.15 -0.04 1.41 1.12 2z1mB1 ILE 104 H -0.15 0.53 0.18 -0.55 8.25 8.26 2z1mB1 ILE 104 HA -0.06 0.04 0.30 -0.75 4.18 3.71 2z1mB1 ILE 104 HB -0.06 0.17 0.18 -0.04 1.89 2.14 2z1mB1 ILE 104 HG12 -0.22 0.06 -0.02 -0.04 1.49 1.27 2z1mB1 ILE 104 HG13 -0.14 -0.01 -0.01 -0.04 1.21 1.02 2z1mB1 ILE 104 HG23 -0.03 -0.01 -0.02 -0.04 0.93 0.83 2z1mB1 ILE 104 HD13 -0.43 -0.01 -0.07 -0.04 0.88 0.33 2z1mB1 GLY 105 H -0.00 0.27 -0.20 -0.55 8.43 7.95 2z1mB1 GLY 105 HA2 0.04 0.11 0.43 -0.51 4.01 4.08 2z1mB1 GLY 105 HA3 0.03 0.11 0.35 -0.51 4.01 3.99 2z1mB1 VAL 106 H 0.07 0.19 -0.54 -0.55 8.24 7.41 2z1mB1 VAL 106 HA 0.11 0.02 0.46 -0.75 4.13 3.96 2z1mB1 VAL 106 HB 0.14 0.16 0.08 -0.04 2.12 2.45 2z1mB1 VAL 106 HG13 0.13 0.01 -0.09 -0.04 0.97 0.98 2z1mB1 VAL 106 HG23 0.09 -0.03 -0.03 -0.04 0.95 0.95 2z1mB1 LEU 107 H 0.11 0.34 -0.11 -0.55 8.37 8.17 2z1mB1 LEU 107 HA -0.20 0.04 0.42 -0.75 4.35 3.86 2z1mB1 LEU 107 HB2 0.21 -0.00 0.06 -0.04 1.64 1.87 2z1mB1 LEU 107 HB3 0.13 0.11 0.15 -0.04 1.64 1.99 2z1mB1 LEU 107 HG 0.02 -0.01 -0.25 -0.04 1.64 1.37 2z1mB1 LEU 107 HD13 0.01 -0.01 0.00 -0.04 0.93 0.89 2z1mB1 LEU 107 HD23 0.19 -0.01 -0.04 -0.04 0.89 0.99 2z1mB1 ARG 108 H 0.04 0.70 -0.10 -0.55 8.46 8.54 2z1mB1 ARG 108 HA 0.20 -0.01 0.45 -0.75 4.34 4.22 2z1mB1 ARG 108 HB2 0.09 0.16 0.11 -0.04 1.90 2.22 2z1mB1 ARG 108 HB3 0.26 -0.09 -0.06 -0.04 1.80 1.87 2z1mB1 ARG 108 HG2 0.13 -0.08 -0.05 -0.04 1.67 1.63 2z1mB1 ARG 108 HG3 0.07 0.21 -0.13 -0.04 1.67 1.77 2z1mB1 ARG 108 HD2 0.08 0.30 -0.23 -0.04 3.22 3.33 2z1mB1 ARG 108 HD3 0.20 -0.17 -0.43 -0.04 3.22 2.77 2z1mB1 ILE 109 H -0.02 0.52 -0.20 -0.55 8.25 8.01 2z1mB1 ILE 109 HA -0.04 -0.02 0.42 -0.75 4.18 3.79 2z1mB1 ILE 109 HB -0.10 0.13 0.12 -0.04 1.89 2.00 2z1mB1 ILE 109 HG12 0.03 -0.07 -0.02 -0.04 1.49 1.38 2z1mB1 ILE 109 HG13 0.03 0.16 0.08 -0.04 1.21 1.44 2z1mB1 ILE 109 HG23 0.01 -0.01 -0.16 -0.04 0.93 0.73 2z1mB1 ILE 109 HD13 0.16 -0.04 -0.04 -0.04 0.88 0.92 2z1mB1 LEU 110 H -0.38 0.52 -0.08 -0.55 8.37 7.88 2z1mB1 LEU 110 HA -0.49 0.08 0.39 -0.75 4.35 3.58 2z1mB1 LEU 110 HB2 -0.74 0.02 0.12 -0.04 1.64 1.00 2z1mB1 LEU 110 HB3 -1.25 0.00 -0.05 -0.04 1.64 0.31 2z1mB1 LEU 110 HG -1.11 0.01 -0.03 -0.04 1.64 0.46 2z1mB1 LEU 110 HD13 -0.39 -0.01 -0.22 -0.04 0.93 0.27 2z1mB1 LEU 110 HD23 -0.51 0.01 -0.07 -0.04 0.89 0.28 2z1mB1 GLU 111 H -0.13 0.62 -0.21 -0.55 8.60 8.34 2z1mB1 GLU 111 HA 0.11 0.06 0.39 -0.75 4.29 4.09 2z1mB1 GLU 111 HB2 0.02 0.01 0.06 -0.04 2.09 2.14 2z1mB1 GLU 111 HB3 0.11 0.04 0.12 -0.04 1.99 2.21 2z1mB1 GLU 111 HG2 -0.14 -0.06 -0.03 -0.04 2.34 2.07 2z1mB1 GLU 111 HG3 0.02 -0.02 -0.10 -0.04 2.34 2.20 2z1mB1 ALA 112 H 0.14 0.51 -0.19 -0.55 8.40 8.31 2z1mB1 ALA 112 HA 0.07 -0.01 0.54 -0.75 4.34 4.19 2z1mB1 ALA 112 HB3 -0.19 0.01 0.02 -0.04 1.41 1.21 2z1mB1 LEU 113 H -0.06 0.58 -0.15 -0.55 8.37 8.20 2z1mB1 LEU 113 HA -0.02 -0.00 0.40 -0.75 4.35 3.97 2z1mB1 LEU 113 HB2 -0.08 0.08 0.08 -0.04 1.64 1.67 2z1mB1 LEU 113 HB3 -0.01 0.13 -0.12 -0.04 1.64 1.60 2z1mB1 LEU 113 HG -0.08 0.09 -0.03 -0.04 1.64 1.58 2z1mB1 LEU 113 HD13 -0.01 0.00 -0.18 -0.04 0.93 0.70 2z1mB1 LEU 113 HD23 0.01 -0.01 -0.07 -0.04 0.89 0.78 2z1mB1 ARG 114 H 0.01 0.58 -0.17 -0.55 8.46 8.32 2z1mB1 ARG 114 HA -0.01 0.06 0.35 -0.75 4.34 3.98 2z1mB1 ARG 114 HB2 0.13 0.04 0.09 -0.04 1.90 2.12 2z1mB1 ARG 114 HB3 0.05 0.04 0.13 -0.04 1.80 1.97 2z1mB1 ARG 114 HG2 -0.18 0.01 -0.13 -0.04 1.67 1.34 2z1mB1 ARG 114 HG3 -0.38 0.01 0.02 -0.04 1.67 1.28 2z1mB1 ARG 114 HD2 -0.38 -0.04 -0.04 -0.04 3.22 2.72 2z1mB1 ARG 114 HD3 -0.09 -0.01 -0.04 -0.04 3.22 3.04 2z1mB1 THR 115 H 0.03 0.30 -0.40 -0.55 8.28 7.67 2z1mB1 THR 115 HA -0.01 0.05 0.40 -0.75 4.39 4.08 2z1mB1 THR 115 HB 0.08 -0.00 0.13 -0.04 4.32 4.48 2z1mB1 THR 115 HG23 0.05 -0.04 -0.03 -0.04 1.22 1.16 2z1mB1 VAL 116 H -0.00 0.45 -0.03 -0.55 8.24 8.12 2z1mB1 VAL 116 HA -0.01 0.23 1.13 -0.75 4.13 4.73 2z1mB1 VAL 116 HB -0.02 -0.02 0.09 -0.04 2.12 2.12 2z1mB1 VAL 116 HG13 -0.01 -0.03 -0.11 -0.04 0.97 0.78 2z1mB1 VAL 116 HG23 -0.04 0.07 -0.08 -0.04 0.95 0.86 2z1mB1 LYS 117 H -0.01 0.35 0.02 -0.55 8.42 8.24 2z1mB1 LYS 117 HA -0.00 0.10 0.61 -0.75 4.32 4.28 2z1mB1 LYS 117 HB2 -0.01 0.01 -0.24 -0.04 1.87 1.58 2z1mB1 LYS 117 HB3 -0.00 -0.06 0.15 -0.04 1.79 1.84 2z1mB1 LYS 117 HG2 0.01 -0.12 0.00 -0.04 1.46 1.31 2z1mB1 LYS 117 HG3 -0.00 0.03 0.08 -0.04 1.46 1.52 2z1mB1 LYS 117 HD2 -0.01 -0.02 -0.04 -0.04 1.69 1.57 2z1mB1 LYS 117 HD3 -0.00 0.03 -0.04 -0.04 1.68 1.62 2z1mB1 LYS 117 HE2 -0.00 -0.06 -0.06 -0.04 2.99 2.82 2z1mB1 LYS 117 HE3 -0.01 0.09 -0.34 -0.04 2.99 2.70 2z1mB1 PRO 118 HA 0.03 0.06 0.21 -0.51 4.44 4.22 2z1mB1 PRO 118 HB2 0.02 0.02 -0.01 -0.04 2.28 2.27 2z1mB1 PRO 118 HB3 -0.00 0.05 0.13 -0.04 2.02 2.15 2z1mB1 PRO 118 HG2 0.01 -0.04 -0.00 -0.04 2.03 1.96 2z1mB1 PRO 118 HG3 -0.01 0.06 0.03 -0.04 2.03 2.07 2z1mB1 PRO 118 HD2 0.00 0.05 -0.02 -0.04 3.68 3.67 2z1mB1 PRO 118 HD3 -0.01 0.18 -0.19 -0.04 3.65 3.59 2z1mB1 ASP 119 H 0.02 0.05 -0.39 -0.55 8.40 7.53 2z1mB1 ASP 119 HA 0.05 0.15 0.65 -0.75 4.63 4.73 2z1mB1 ASP 119 HB2 0.02 0.00 0.13 -0.04 2.71 2.82 2z1mB1 ASP 119 HB3 0.02 -0.06 0.04 -0.04 2.70 2.67 2z1mB1 THR 120 H 0.04 0.31 -0.27 -0.55 8.28 7.81 2z1mB1 THR 120 HA 0.02 0.13 0.49 -0.75 4.39 4.28 2z1mB1 THR 120 HB 0.05 -0.09 -0.01 -0.04 4.32 4.24 2z1mB1 THR 120 HG23 0.06 0.02 -0.32 -0.04 1.22 0.94 2z1mB1 LYS 121 H -0.00 0.52 0.37 -0.55 8.42 8.75 2z1mB1 LYS 121 HA 0.20 0.27 0.87 -0.75 4.32 4.91 2z1mB1 LYS 121 HB2 -0.11 -0.08 0.25 -0.04 1.87 1.89 2z1mB1 LYS 121 HB3 -0.09 -0.06 0.07 -0.04 1.79 1.67 2z1mB1 LYS 121 HG2 -0.71 -0.01 0.10 -0.04 1.46 0.79 2z1mB1 LYS 121 HG3 -0.24 0.08 0.18 -0.04 1.46 1.43 2z1mB1 LYS 121 HD2 -0.32 -0.10 0.05 -0.04 1.69 1.29 2z1mB1 LYS 121 HD3 -0.77 0.06 0.10 -0.04 1.68 1.03 2z1mB1 LYS 121 HE2 -1.60 0.00 0.01 -0.04 2.99 1.36 2z1mB1 LYS 121 HE3 -0.47 -0.07 0.05 -0.04 2.99 2.46 2z1mB1 PHE 122 H 0.32 0.70 0.39 -0.55 8.34 9.20 2z1mB1 PHE 122 HA -0.03 0.20 1.07 -0.75 4.62 5.10 2z1mB1 PHE 122 HB2 0.01 0.07 -0.20 -0.04 3.15 3.00 2z1mB1 PHE 122 HB3 0.03 0.02 0.09 -0.04 3.06 3.16 2z1mB1 PHE 122 HD2 -0.03 -0.00 -0.12 -0.04 7.28 7.08 2z1mB1 PHE 122 HE2 -0.06 -0.08 -0.11 -0.04 7.38 7.09 2z1mB1 PHE 122 HZ -0.05 -0.08 -0.03 -0.04 7.32 7.12 2z1mB1 TYR 123 H -0.48 0.74 0.44 -0.55 8.29 8.44 2z1mB1 TYR 123 HA -0.30 0.26 1.05 -0.75 4.56 4.82 2z1mB1 TYR 123 HB2 -0.35 0.11 -0.00 -0.04 3.06 2.78 2z1mB1 TYR 123 HB3 -0.44 -0.10 0.20 -0.04 2.98 2.60 2z1mB1 TYR 123 HD2 -0.04 -0.03 -0.21 -0.04 7.15 6.84 2z1mB1 TYR 123 HE2 -0.01 -0.06 -0.16 -0.04 6.85 6.58 2z1mB1 GLN 124 H -0.76 0.83 0.41 -0.55 8.47 8.40 2z1mB1 GLN 124 HA -0.49 0.13 1.02 -0.75 4.36 4.27 2z1mB1 GLN 124 HB2 -0.04 0.05 -0.01 -0.04 2.15 2.11 2z1mB1 GLN 124 HB3 -0.26 0.00 0.14 -0.04 2.02 1.87 2z1mB1 GLN 124 HG2 -0.06 0.10 -0.30 -0.04 2.40 2.10 2z1mB1 GLN 124 HG3 -0.17 -0.12 -0.49 -0.04 2.39 1.56 2z1mB1 GLN 124 HE21 -0.00 0.03 0.00 -0.04 6.97 6.96 2z1mB1 GLN 124 HE22 -0.06 -0.06 -0.17 -0.04 7.69 7.36 2z1mB1 ALA 125 H -0.15 0.43 0.15 -0.55 8.40 8.28 2z1mB1 ALA 125 HA -0.04 0.07 0.66 -0.75 4.34 4.27 2z1mB1 ALA 125 HB3 0.14 -0.01 0.13 -0.04 1.41 1.63 2z1mB1 SER 126 H -0.17 0.36 0.29 -0.55 8.46 8.39 2z1mB1 SER 126 HA -0.14 0.12 0.69 -0.75 4.49 4.41 2z1mB1 SER 126 HB2 -0.15 0.07 -0.28 -0.04 3.95 3.55 2z1mB1 SER 126 HB3 -0.27 -0.17 0.07 -0.04 3.93 3.52 2z1mB1 THR 127 H -0.24 0.24 0.16 -0.55 8.28 7.89 2z1mB1 THR 127 HA -0.05 0.32 0.98 -0.75 4.39 4.88 2z1mB1 THR 127 HB 0.03 0.22 -0.23 -0.04 4.32 4.30 2z1mB1 THR 127 HG23 -0.15 -0.02 -0.07 -0.04 1.22 0.93 2z1mB1 SER 128 H -0.23 0.56 0.13 -0.55 8.46 8.38 2z1mB1 SER 128 HA -0.36 0.12 0.29 -0.75 4.49 3.79 2z1mB1 SER 128 HB2 -0.94 0.01 0.04 -0.04 3.95 3.02 2z1mB1 SER 128 HB3 -2.12 0.05 -0.06 -0.04 3.93 1.76 2z1mB1 GLU 129 H -0.08 0.09 -0.37 -0.55 8.60 7.70 2z1mB1 GLU 129 HA 0.03 0.09 0.45 -0.75 4.29 4.10 2z1mB1 GLU 129 HB2 0.07 0.05 -0.04 -0.04 2.09 2.12 2z1mB1 GLU 129 HB3 0.12 -0.06 0.04 -0.04 1.99 2.05 2z1mB1 GLU 129 HG2 0.09 -0.04 0.03 -0.04 2.34 2.38 2z1mB1 GLU 129 HG3 0.29 0.02 0.00 -0.04 2.34 2.61 2z1mB1 MET 130 H -0.25 0.50 -0.39 -0.55 8.47 7.78 2z1mB1 MET 130 HA -0.17 0.02 0.37 -0.75 4.52 3.99 2z1mB1 MET 130 HB2 -0.63 0.06 0.02 -0.04 2.15 1.56 2z1mB1 MET 130 HB3 -0.70 0.02 0.01 -0.04 2.03 1.32 2z1mB1 MET 130 HG2 -0.37 0.05 -0.01 -0.04 2.63 2.25 2z1mB1 MET 130 HG3 -0.36 -0.01 0.08 -0.04 2.56 2.23 2z1mB1 MET 130 HE3 -1.18 0.03 -0.06 -0.04 2.10 0.85 2z1mB1 PHE 131 H -0.12 0.34 -0.31 -0.55 8.34 7.69 2z1mB1 PHE 131 HA 0.20 0.08 0.49 -0.75 4.62 4.64 2z1mB1 PHE 131 HB2 0.03 0.06 0.05 -0.04 3.15 3.25 2z1mB1 PHE 131 HB3 0.07 -0.01 -0.05 -0.04 3.06 3.03 2z1mB1 PHE 131 HD2 -0.09 0.08 -0.09 -0.04 7.28 7.14 2z1mB1 PHE 131 HE2 -0.10 0.13 -0.16 -0.04 7.38 7.21 2z1mB1 PHE 131 HZ 0.07 0.01 -0.23 -0.04 7.32 7.13 2z1mB1 GLY 132 H 0.15 0.05 -0.26 -0.55 8.43 7.82 2z1mB1 GLY 132 HA2 0.13 -0.14 0.29 -0.51 4.01 3.78 2z1mB1 GLY 132 HA3 0.20 0.38 0.20 -0.51 4.01 4.27 2z1mB1 LYS 133 H 0.22 0.40 0.17 -0.55 8.42 8.65 2z1mB1 LYS 133 HA -0.02 -0.02 0.62 -0.75 4.32 4.14 2z1mB1 LYS 133 HB2 -0.18 -0.07 0.13 -0.04 1.87 1.72 2z1mB1 LYS 133 HB3 -0.72 0.04 0.21 -0.04 1.79 1.27 2z1mB1 LYS 133 HG2 -0.29 0.08 -0.07 -0.04 1.46 1.13 2z1mB1 LYS 133 HG3 -0.15 -0.02 0.03 -0.04 1.46 1.28 2z1mB1 LYS 133 HD2 -0.19 -0.03 0.01 -0.04 1.69 1.44 2z1mB1 LYS 133 HD3 -0.31 -0.03 0.02 -0.04 1.68 1.32 2z1mB1 LYS 133 HE2 -1.45 0.02 0.01 -0.04 2.99 1.53 2z1mB1 LYS 133 HE3 -0.39 0.03 -0.01 -0.04 2.99 2.58 2z1mB1 VAL 134 H 0.03 0.10 0.06 -0.55 8.24 7.88 2z1mB1 VAL 134 HA 0.10 0.09 0.00 -0.75 4.13 3.57 2z1mB1 VAL 134 HB -0.02 0.09 -0.02 -0.04 2.12 2.13 2z1mB1 VAL 134 HG13 0.08 0.02 -0.19 -0.04 0.97 0.84 2z1mB1 VAL 134 HG23 -0.01 -0.00 -0.08 -0.04 0.95 0.81 2z1mB1 GLN 135 H 0.04 0.11 0.16 -0.55 8.47 8.23 2z1mB1 GLN 135 HA -0.00 0.17 0.72 -0.75 4.36 4.49 2z1mB1 GLN 135 HB2 0.04 0.06 0.09 -0.04 2.15 2.30 2z1mB1 GLN 135 HB3 0.03 -0.07 0.12 -0.04 2.02 2.06 2z1mB1 GLN 135 HG2 0.15 0.14 -0.13 -0.04 2.40 2.53 2z1mB1 GLN 135 HG3 0.17 -0.03 -0.16 -0.04 2.39 2.33 2z1mB1 GLN 135 HE21 -0.15 -0.15 -0.07 -0.04 6.97 6.56 2z1mB1 GLN 135 HE22 -0.08 0.65 -0.17 -0.04 7.69 8.05 2z1mB1 GLU 136 H -0.06 0.15 0.05 -0.55 8.60 8.19 2z1mB1 GLU 136 HA -0.05 0.13 0.53 -0.75 4.29 4.15 2z1mB1 GLU 136 HB2 -0.12 -0.12 0.01 -0.04 2.09 1.82 2z1mB1 GLU 136 HB3 -0.08 0.07 0.02 -0.04 1.99 1.96 2z1mB1 GLU 136 HG2 -0.04 0.07 0.06 -0.04 2.34 2.39 2z1mB1 GLU 136 HG3 -0.04 -0.02 -0.38 -0.04 2.34 1.85 2z1mB1 ILE 137 H -0.06 0.25 0.07 -0.55 8.25 7.96 2z1mB1 ILE 137 HA -0.08 0.03 0.63 -0.75 4.18 4.01 2z1mB1 ILE 137 HB -0.05 -0.01 0.09 -0.04 1.89 1.88 2z1mB1 ILE 137 HG12 -0.04 0.15 0.04 -0.04 1.49 1.60 2z1mB1 ILE 137 HG13 -0.05 -0.03 -0.66 -0.04 1.21 0.43 2z1mB1 ILE 137 HG23 -0.05 -0.01 -0.10 -0.04 0.93 0.73 2z1mB1 ILE 137 HD13 -0.03 -0.01 -0.04 -0.04 0.88 0.75 2z1mB1 PRO 138 HA -0.10 0.09 0.34 -0.51 4.44 4.27 2z1mB1 PRO 138 HB2 -0.14 -0.02 -0.19 -0.04 2.28 1.89 2z1mB1 PRO 138 HB3 -0.11 -0.00 -0.09 -0.04 2.02 1.79 2z1mB1 PRO 138 HG2 -0.08 -0.03 -0.11 -0.04 2.03 1.77 2z1mB1 PRO 138 HG3 -0.07 0.05 -0.00 -0.04 2.03 1.96 2z1mB1 PRO 138 HD2 -0.06 0.11 0.28 -0.04 3.68 3.96 2z1mB1 PRO 138 HD3 -0.06 0.10 0.19 -0.04 3.65 3.83 2z1mB1 GLN 139 H -0.18 0.59 0.32 -0.55 8.47 8.65 2z1mB1 GLN 139 HA -0.31 0.18 0.82 -0.75 4.36 4.30 2z1mB1 GLN 139 HB2 -0.23 -0.14 0.05 -0.04 2.15 1.79 2z1mB1 GLN 139 HB3 -1.47 0.08 0.01 -0.04 2.02 0.60 2z1mB1 GLN 139 HG2 -0.64 -0.02 0.01 -0.04 2.40 1.71 2z1mB1 GLN 139 HG3 -0.33 0.26 -0.02 -0.04 2.39 2.26 2z1mB1 GLN 139 HE21 -0.03 0.30 0.27 -0.04 6.97 7.47 2z1mB1 GLN 139 HE22 -0.09 0.69 0.25 -0.04 7.69 8.50 2z1mB1 THR 140 H -0.20 0.20 0.18 -0.55 8.28 7.91 2z1mB1 THR 140 HA -0.03 0.21 0.94 -0.75 4.39 4.76 2z1mB1 THR 140 HB -0.02 -0.03 0.22 -0.04 4.32 4.45 2z1mB1 THR 140 HG23 -0.06 0.05 -0.11 -0.04 1.22 1.06 2z1mB1 GLU 141 H 0.03 0.16 0.17 -0.55 8.60 8.42 2z1mB1 GLU 141 HA 0.12 0.07 0.37 -0.75 4.29 4.11 2z1mB1 GLU 141 HB2 -0.02 0.01 0.06 -0.04 2.09 2.10 2z1mB1 GLU 141 HB3 -0.02 0.11 0.04 -0.04 1.99 2.08 2z1mB1 GLU 141 HG2 -0.11 0.38 0.05 -0.04 2.34 2.62 2z1mB1 GLU 141 HG3 0.03 -0.09 -0.07 -0.04 2.34 2.18 2z1mB1 LYS 142 H -0.02 -0.10 -0.55 -0.55 8.42 7.20 2z1mB1 LYS 142 HA -0.01 0.25 0.72 -0.75 4.32 4.52 2z1mB1 LYS 142 HB2 -0.02 -0.07 -0.02 -0.04 1.87 1.72 2z1mB1 LYS 142 HB3 -0.01 0.05 0.10 -0.04 1.79 1.88 2z1mB1 LYS 142 HG2 0.00 0.08 -0.05 -0.04 1.46 1.45 2z1mB1 LYS 142 HG3 -0.01 -0.11 -0.17 -0.04 1.46 1.13 2z1mB1 LYS 142 HD2 -0.01 -0.03 -0.02 -0.04 1.69 1.59 2z1mB1 LYS 142 HD3 -0.00 0.04 -0.01 -0.04 1.68 1.66 2z1mB1 LYS 142 HE2 -0.01 0.05 -0.02 -0.04 2.99 2.97 2z1mB1 LYS 142 HE3 -0.01 -0.04 -0.04 -0.04 2.99 2.86 2z1mB1 THR 143 H -0.06 0.41 -0.16 -0.55 8.28 7.92 2z1mB1 THR 143 HA -0.09 0.15 0.66 -0.75 4.39 4.36 2z1mB1 THR 143 HB -0.42 0.03 0.12 -0.04 4.32 4.01 2z1mB1 THR 143 HG23 -0.15 0.10 -0.01 -0.04 1.22 1.11 2z1mB1 PRO 144 HA -0.12 0.02 0.49 -0.51 4.44 4.32 2z1mB1 PRO 144 HB2 0.07 0.04 -0.01 -0.04 2.28 2.34 2z1mB1 PRO 144 HB3 0.06 0.02 0.09 -0.04 2.02 2.16 2z1mB1 PRO 144 HG2 0.02 0.03 0.08 -0.04 2.03 2.12 2z1mB1 PRO 144 HG3 0.01 0.05 0.08 -0.04 2.03 2.14 2z1mB1 PRO 144 HD2 -0.02 0.01 0.16 -0.04 3.68 3.78 2z1mB1 PRO 144 HD3 -0.04 0.25 0.28 -0.04 3.65 4.10 2z1mB1 PHE 145 H 0.07 0.06 0.14 -0.55 8.34 8.06 2z1mB1 PHE 145 HA 0.19 0.07 0.59 -0.75 4.62 4.72 2z1mB1 PHE 145 HB2 0.09 -0.06 0.07 -0.04 3.15 3.21 2z1mB1 PHE 145 HB3 -0.05 0.21 0.05 -0.04 3.06 3.22 2z1mB1 PHE 145 HD2 -0.21 -0.05 -0.21 -0.04 7.28 6.77 2z1mB1 PHE 145 HE2 -0.71 -0.05 -0.09 -0.04 7.38 6.49 2z1mB1 PHE 145 HZ -0.68 -0.01 -0.07 -0.04 7.32 6.53 2z1mB1 TYR 146 H 0.32 0.26 0.01 -0.55 8.29 8.34 2z1mB1 TYR 146 HA 0.12 0.09 0.45 -0.75 4.56 4.47 2z1mB1 TYR 146 HB2 0.10 0.08 -0.16 -0.04 3.06 3.04 2z1mB1 TYR 146 HB3 0.10 -0.05 0.17 -0.04 2.98 3.16 2z1mB1 TYR 146 HD2 0.07 -0.06 -0.09 -0.04 7.15 7.03 2z1mB1 TYR 146 HE2 0.05 -0.04 -0.01 -0.04 6.85 6.80 2z1mB1 PRO 147 HA 0.08 0.08 0.33 -0.51 4.44 4.42 2z1mB1 PRO 147 HB2 -0.02 -0.11 -0.20 -0.04 2.28 1.91 2z1mB1 PRO 147 HB3 -0.04 0.06 -0.21 -0.04 2.02 1.78 2z1mB1 PRO 147 HG2 -0.06 0.03 0.00 -0.04 2.03 1.96 2z1mB1 PRO 147 HG3 -0.02 0.04 -0.02 -0.04 2.03 1.99 2z1mB1 PRO 147 HD2 -0.09 0.16 -0.01 -0.04 3.68 3.70 2z1mB1 PRO 147 HD3 0.07 0.15 -0.03 -0.04 3.65 3.80 2z1mB1 ARG 148 H 0.10 0.04 0.19 -0.55 8.46 8.24 2z1mB1 ARG 148 HA 0.16 0.30 0.91 -0.75 4.34 4.96 2z1mB1 ARG 148 HB2 0.15 -0.07 0.07 -0.04 1.90 2.01 2z1mB1 ARG 148 HB3 0.17 0.02 0.17 -0.04 1.80 2.13 2z1mB1 ARG 148 HG2 0.30 0.19 -0.32 -0.04 1.67 1.80 2z1mB1 ARG 148 HG3 0.17 -0.08 -0.02 -0.04 1.67 1.70 2z1mB1 ARG 148 HD2 0.07 0.03 -0.04 -0.04 3.22 3.24 2z1mB1 ARG 148 HD3 0.10 -0.03 -0.03 -0.04 3.22 3.22 2z1mB1 SER 149 H 0.02 0.10 0.09 -0.55 8.46 8.13 2z1mB1 SER 149 HA -0.26 0.32 0.62 -0.75 4.49 4.41 2z1mB1 SER 149 HB2 -0.45 0.10 0.15 -0.04 3.95 3.72 2z1mB1 SER 149 HB3 0.10 0.15 -0.10 -0.04 3.93 4.03 2z1mB1 PRO 150 HA -0.11 0.11 0.52 -0.51 4.44 4.44 2z1mB1 PRO 150 HB2 -0.17 0.05 -0.01 -0.04 2.28 2.11 2z1mB1 PRO 150 HB3 -0.10 0.05 0.13 -0.04 2.02 2.05 2z1mB1 PRO 150 HG2 -0.27 0.20 0.04 -0.04 2.03 1.97 2z1mB1 PRO 150 HG3 -0.16 0.07 0.05 -0.04 2.03 1.96 2z1mB1 PRO 150 HD2 -1.25 0.07 0.05 -0.04 3.68 2.51 2z1mB1 PRO 150 HD3 -0.91 0.21 0.12 -0.04 3.65 3.04 2z1mB1 TYR 151 H -0.06 0.12 -0.25 -0.55 8.29 7.55 2z1mB1 TYR 151 HA -0.07 0.13 0.41 -0.75 4.56 4.28 2z1mB1 TYR 151 HB2 -0.04 0.07 -0.08 -0.04 3.06 2.97 2z1mB1 TYR 151 HB3 -0.06 -0.09 0.00 -0.04 2.98 2.79 2z1mB1 TYR 151 HD2 -0.02 0.05 -0.07 -0.04 7.15 7.07 2z1mB1 TYR 151 HE2 -0.03 -0.02 -0.08 -0.04 6.85 6.68 2z1mB1 ALA 152 H -0.01 0.05 -0.20 -0.55 8.40 7.70 2z1mB1 ALA 152 HA -0.37 0.04 0.24 -0.75 4.34 3.49 2z1mB1 ALA 152 HB3 -0.02 0.00 0.01 -0.04 1.41 1.37 2z1mB1 VAL 153 H -0.09 0.51 -0.15 -0.55 8.24 7.96 2z1mB1 VAL 153 HA -0.05 0.09 0.47 -0.75 4.13 3.88 2z1mB1 VAL 153 HB -0.06 0.02 0.09 -0.04 2.12 2.13 2z1mB1 VAL 153 HG13 -0.01 0.01 -0.10 -0.04 0.97 0.83 2z1mB1 VAL 153 HG23 -0.04 0.05 -0.10 -0.04 0.95 0.83 2z1mB1 ALA 154 H -0.11 0.57 -0.15 -0.55 8.40 8.16 2z1mB1 ALA 154 HA -0.05 0.02 0.44 -0.75 4.34 4.00 2z1mB1 ALA 154 HB3 -0.09 -0.00 -0.01 -0.04 1.41 1.26 2z1mB1 LYS 155 H -0.30 0.54 -0.13 -0.55 8.42 7.98 2z1mB1 LYS 155 HA -0.14 0.17 0.47 -0.75 4.32 4.07 2z1mB1 LYS 155 HB2 -0.46 0.01 0.10 -0.04 1.87 1.47 2z1mB1 LYS 155 HB3 -0.30 -0.08 0.03 -0.04 1.79 1.40 2z1mB1 LYS 155 HG2 -0.50 0.01 0.02 -0.04 1.46 0.95 2z1mB1 LYS 155 HG3 -0.87 -0.12 -0.05 -0.04 1.46 0.37 2z1mB1 LYS 155 HD2 -0.16 -0.02 0.08 -0.04 1.69 1.55 2z1mB1 LYS 155 HD3 -0.13 0.06 0.08 -0.04 1.68 1.66 2z1mB1 LYS 155 HE2 0.02 -0.09 -0.02 -0.04 2.99 2.85 2z1mB1 LYS 155 HE3 0.07 -0.11 -0.04 -0.04 2.99 2.87 2z1mB1 LEU 156 H -0.17 0.47 -0.26 -0.55 8.37 7.87 2z1mB1 LEU 156 HA -0.34 -0.03 0.47 -0.75 4.35 3.71 2z1mB1 LEU 156 HB2 -0.19 0.06 0.17 -0.04 1.64 1.64 2z1mB1 LEU 156 HB3 -0.02 0.14 0.17 -0.04 1.64 1.90 2z1mB1 LEU 156 HG 0.26 -0.01 -0.13 -0.04 1.64 1.72 2z1mB1 LEU 156 HD13 -0.65 -0.02 0.06 -0.04 0.93 0.27 2z1mB1 LEU 156 HD23 0.09 0.01 -0.01 -0.04 0.89 0.94 2z1mB1 PHE 157 H 0.15 0.47 -0.09 -0.55 8.34 8.32 2z1mB1 PHE 157 HA 0.10 0.01 0.54 -0.75 4.62 4.52 2z1mB1 PHE 157 HB2 -0.00 0.00 0.13 -0.04 3.15 3.24 2z1mB1 PHE 157 HB3 -0.03 0.20 0.20 -0.04 3.06 3.38 2z1mB1 PHE 157 HD2 -0.00 0.06 -0.18 -0.04 7.28 7.12 2z1mB1 PHE 157 HE2 -0.01 0.02 -0.09 -0.04 7.38 7.26 2z1mB1 PHE 157 HZ 0.00 0.01 -0.06 -0.04 7.32 7.23 2z1mB1 GLY 158 H 0.15 0.49 -0.10 -0.55 8.43 8.43 2z1mB1 GLY 158 HA2 0.13 -0.02 0.45 -0.51 4.01 4.06 2z1mB1 GLY 158 HA3 0.05 0.13 0.38 -0.51 4.01 4.06 2z1mB1 HIS 159 H -0.07 0.57 -0.12 -0.55 8.41 8.24 2z1mB1 HIS 159 HA -0.25 -0.01 0.42 -0.75 4.63 4.03 2z1mB1 HIS 159 HB2 -0.45 -0.09 0.08 -0.04 3.26 2.76 2z1mB1 HIS 159 HB3 -0.58 0.15 0.23 -0.04 3.20 2.96 2z1mB1 HIS 159 HD2 -2.10 0.04 -0.06 -0.04 6.97 4.80 2z1mB1 HIS 159 HE1 -0.31 0.00 -0.05 -0.04 7.75 7.35 2z1mB1 TRP 160 H -0.09 0.63 -0.01 -0.55 7.97 7.96 2z1mB1 TRP 160 HA -0.35 0.02 0.33 -0.75 4.62 3.86 2z1mB1 TRP 160 HB2 -0.22 0.08 0.16 -0.04 3.23 3.22 2z1mB1 TRP 160 HB3 -0.19 -0.03 -0.01 -0.04 3.23 2.96 2z1mB1 TRP 160 HD1 -0.08 0.03 -0.06 -0.04 7.22 7.07 2z1mB1 TRP 160 HE1 0.12 -0.03 -0.00 -0.04 10.20 10.26 2z1mB1 TRP 160 HE3 -0.12 -0.04 0.06 -0.04 7.59 7.45 2z1mB1 TRP 160 HZ2 0.30 -0.00 -0.00 -0.04 7.44 7.69 2z1mB1 TRP 160 HZ3 0.00 0.02 -0.01 -0.04 7.13 7.10 2z1mB1 TRP 160 HH2 0.12 0.03 -0.01 -0.04 7.19 7.28 2z1mB1 ILE 161 H -0.18 0.63 -0.17 -0.55 8.25 7.97 2z1mB1 ILE 161 HA -0.08 0.03 0.52 -0.75 4.18 3.91 2z1mB1 ILE 161 HB -0.69 0.05 0.08 -0.04 1.89 1.29 2z1mB1 ILE 161 HG12 -0.04 -0.05 -0.02 -0.04 1.49 1.33 2z1mB1 ILE 161 HG13 -0.00 -0.00 -0.00 -0.04 1.21 1.16 2z1mB1 ILE 161 HG23 -0.07 0.02 -0.08 -0.04 0.93 0.76 2z1mB1 ILE 161 HD13 -0.04 -0.00 0.01 -0.04 0.88 0.80 2z1mB1 THR 162 H -0.10 0.44 -0.26 -0.55 8.28 7.81 2z1mB1 THR 162 HA 0.01 0.04 0.43 -0.75 4.39 4.11 2z1mB1 THR 162 HB -0.14 0.13 0.09 -0.04 4.32 4.35 2z1mB1 THR 162 HG23 0.09 0.02 -0.36 -0.04 1.22 0.92 2z1mB1 VAL 163 H -0.21 0.49 -0.09 -0.55 8.24 7.88 2z1mB1 VAL 163 HA -0.09 0.07 0.42 -0.75 4.13 3.77 2z1mB1 VAL 163 HB 0.09 0.14 0.16 -0.04 2.12 2.47 2z1mB1 VAL 163 HG13 0.12 -0.01 -0.06 -0.04 0.97 0.97 2z1mB1 VAL 163 HG23 -0.62 0.06 0.01 -0.04 0.95 0.36 2z1mB1 ASN 164 H 0.04 0.45 -0.28 -0.55 8.53 8.19 2z1mB1 ASN 164 HA -0.04 -0.00 0.29 -0.75 4.76 4.25 2z1mB1 ASN 164 HB2 -0.00 0.08 0.13 -0.04 2.88 3.04 2z1mB1 ASN 164 HB3 0.05 0.07 0.11 -0.04 2.79 2.99 2z1mB1 ASN 164 HD21 -0.15 -0.00 0.01 -0.04 7.03 6.85 2z1mB1 ASN 164 HD22 -0.10 -0.00 0.05 -0.04 7.74 7.65 2z1mB1 TYR 165 H 0.23 0.48 -0.21 -0.55 8.29 8.24 2z1mB1 TYR 165 HA 0.01 -0.00 0.50 -0.75 4.56 4.31 2z1mB1 TYR 165 HB2 -0.02 0.09 0.14 -0.04 3.06 3.23 2z1mB1 TYR 165 HB3 0.06 0.03 -0.05 -0.04 2.98 2.97 2z1mB1 TYR 165 HD2 0.04 0.13 -0.01 -0.04 7.15 7.28 2z1mB1 TYR 165 HE2 0.00 -0.02 -0.10 -0.04 6.85 6.69 2z1mB1 ARG 166 H 0.07 0.50 -0.13 -0.55 8.46 8.34 2z1mB1 ARG 166 HA 0.03 0.19 0.65 -0.75 4.34 4.45 2z1mB1 ARG 166 HB2 -0.02 0.06 0.20 -0.04 1.90 2.10 2z1mB1 ARG 166 HB3 -0.04 0.06 0.22 -0.04 1.80 2.00 2z1mB1 ARG 166 HG2 -0.06 -0.07 -0.23 -0.04 1.67 1.26 2z1mB1 ARG 166 HG3 -0.08 0.11 0.09 -0.04 1.67 1.75 2z1mB1 ARG 166 HD2 -0.13 0.11 -0.06 -0.04 3.22 3.10 2z1mB1 ARG 166 HD3 -0.14 0.15 -0.01 -0.04 3.22 3.18 2z1mB1 GLU 167 H -0.06 0.57 -0.03 -0.55 8.60 8.54 2z1mB1 GLU 167 HA -0.06 0.08 0.45 -0.75 4.29 4.00 2z1mB1 GLU 167 HB2 -0.07 0.01 0.12 -0.04 2.09 2.10 2z1mB1 GLU 167 HB3 -0.07 -0.06 0.03 -0.04 1.99 1.85 2z1mB1 GLU 167 HG2 -0.04 -0.01 0.02 -0.04 2.34 2.27 2z1mB1 GLU 167 HG3 -0.03 0.15 0.07 -0.04 2.34 2.49 2z1mB1 ALA 168 H -0.27 0.71 0.01 -0.55 8.40 8.30 2z1mB1 ALA 168 HA -0.31 0.02 0.48 -0.75 4.34 3.77 2z1mB1 ALA 168 HB3 -0.90 -0.04 0.08 -0.04 1.41 0.51 2z1mB1 TYR 169 H -0.21 0.39 -0.12 -0.55 8.29 7.81 2z1mB1 TYR 169 HA -0.06 0.19 0.94 -0.75 4.56 4.87 2z1mB1 TYR 169 HB2 -0.05 0.10 0.09 -0.04 3.06 3.16 2z1mB1 TYR 169 HB3 -0.04 0.00 0.13 -0.04 2.98 3.03 2z1mB1 TYR 169 HD2 -0.30 0.06 -0.02 -0.04 7.15 6.85 2z1mB1 TYR 169 HE2 -0.71 -0.05 -0.06 -0.04 6.85 6.00 2z1mB1 ASN 170 H -0.01 0.24 -0.18 -0.55 8.53 8.03 2z1mB1 ASN 170 HA 0.01 0.21 0.40 -0.75 4.76 4.62 2z1mB1 ASN 170 HB2 0.05 0.10 0.15 -0.04 2.88 3.14 2z1mB1 ASN 170 HB3 0.03 -0.05 0.23 -0.04 2.79 2.96 2z1mB1 ASN 170 HD21 0.00 -0.05 -0.07 -0.04 7.03 6.87 2z1mB1 ASN 170 HD22 0.02 0.02 -0.14 -0.04 7.74 7.60 2z1mB1 MET 171 H 0.10 0.13 -0.14 -0.55 8.47 8.02 2z1mB1 MET 171 HA 0.12 0.22 0.70 -0.75 4.52 4.81 2z1mB1 MET 171 HB2 0.18 -0.07 -0.19 -0.04 2.15 2.04 2z1mB1 MET 171 HB3 0.15 0.03 -0.15 -0.04 2.03 2.02 2z1mB1 MET 171 HG2 0.11 0.25 0.04 -0.04 2.63 2.99 2z1mB1 MET 171 HG3 0.16 0.03 -0.13 -0.04 2.56 2.58 2z1mB1 MET 171 HE3 0.07 0.03 -0.08 -0.04 2.10 2.08 2z1mB1 PHE 172 H 0.24 0.31 0.08 -0.55 8.34 8.41 2z1mB1 PHE 172 HA 0.04 0.08 0.64 -0.75 4.62 4.63 2z1mB1 PHE 172 HB2 0.03 0.07 0.11 -0.04 3.15 3.33 2z1mB1 PHE 172 HB3 0.04 0.00 0.23 -0.04 3.06 3.29 2z1mB1 PHE 172 HD2 0.02 -0.09 -0.08 -0.04 7.28 7.09 2z1mB1 PHE 172 HE2 -0.01 0.04 -0.28 -0.04 7.38 7.09 2z1mB1 PHE 172 HZ -0.02 0.09 -0.27 -0.04 7.32 7.08 2z1mB1 ALA 173 H -0.09 0.39 0.14 -0.55 8.40 8.29 2z1mB1 ALA 173 HA 0.23 0.27 1.01 -0.75 4.34 5.09 2z1mB1 ALA 173 HB3 0.16 -0.02 -0.10 -0.04 1.41 1.41 2z1mB1 CYS 174 H 0.02 0.77 0.39 -0.55 8.50 9.14 2z1mB1 CYS 174 HA -0.08 0.16 0.77 -0.75 4.58 4.68 2z1mB1 CYS 174 HB2 0.10 -0.06 0.11 -0.04 2.97 3.07 2z1mB1 CYS 174 HB3 0.09 0.01 -0.02 -0.04 2.97 3.01 2z1mB1 SER 175 H -0.10 0.24 0.10 -0.55 8.46 8.15 2z1mB1 SER 175 HA -0.34 0.19 1.08 -0.75 4.49 4.66 2z1mB1 SER 175 HB2 -0.19 0.08 0.00 -0.04 3.95 3.81 2z1mB1 SER 175 HB3 -0.09 -0.02 0.13 -0.04 3.93 3.91 2z1mB1 GLY 176 H -0.51 0.61 0.29 -0.55 8.43 8.28 2z1mB1 GLY 176 HA2 0.09 0.13 0.81 -0.51 4.01 4.52 2z1mB1 GLY 176 HA3 0.19 0.02 0.31 -0.51 4.01 4.02 2z1mB1 ILE 177 H 0.05 0.74 0.19 -0.55 8.25 8.68 2z1mB1 ILE 177 HA -0.06 -0.01 0.38 -0.75 4.18 3.74 2z1mB1 ILE 177 HB 0.15 -0.04 0.03 -0.04 1.89 1.98 2z1mB1 ILE 177 HG12 -0.27 -0.04 -0.21 -0.04 1.49 0.93 2z1mB1 ILE 177 HG13 -0.05 0.09 -0.22 -0.04 1.21 0.99 2z1mB1 ILE 177 HG23 -0.04 -0.02 -0.33 -0.04 0.93 0.50 2z1mB1 ILE 177 HD13 -0.06 0.01 -0.15 -0.04 0.88 0.64 2z1mB1 LEU 178 H 0.05 0.51 -0.12 -0.55 8.37 8.26 2z1mB1 LEU 178 HA 0.23 0.16 0.70 -0.75 4.35 4.68 2z1mB1 LEU 178 HB2 0.18 0.16 0.12 -0.04 1.64 2.05 2z1mB1 LEU 178 HB3 0.30 0.05 -0.01 -0.04 1.64 1.93 2z1mB1 LEU 178 HG 0.05 -0.01 -0.06 -0.04 1.64 1.58 2z1mB1 LEU 178 HD13 0.05 0.03 -0.33 -0.04 0.93 0.64 2z1mB1 LEU 178 HD23 -0.13 0.01 -0.11 -0.04 0.89 0.62 2z1mB1 PHE 179 H 0.64 0.64 0.34 -0.55 8.34 9.41 2z1mB1 PHE 179 HA 0.18 -0.04 0.75 -0.75 4.62 4.76 2z1mB1 PHE 179 HB2 0.27 0.06 0.25 -0.04 3.15 3.69 2z1mB1 PHE 179 HB3 0.16 0.04 0.24 -0.04 3.06 3.46 2z1mB1 PHE 179 HD2 0.11 0.12 -0.05 -0.04 7.28 7.42 2z1mB1 PHE 179 HE2 0.16 0.02 -0.21 -0.04 7.38 7.31 2z1mB1 PHE 179 HZ -0.04 0.09 -0.16 -0.04 7.32 7.18 2z1mB1 ASN 180 H 0.23 0.10 0.23 -0.55 8.53 8.54 2z1mB1 ASN 180 HA 0.08 -0.00 0.38 -0.75 4.76 4.47 2z1mB1 ASN 180 HB2 0.02 0.22 0.21 -0.04 2.88 3.30 2z1mB1 ASN 180 HB3 0.29 -0.04 0.04 -0.04 2.79 3.03 2z1mB1 ASN 180 HD21 0.09 0.01 0.05 -0.04 7.03 7.14 2z1mB1 ASN 180 HD22 0.19 -0.04 0.04 -0.04 7.74 7.89 2z1mB1 HIS 181 H -0.30 0.19 0.24 -0.55 8.41 8.00 2z1mB1 HIS 181 HA -0.09 0.19 0.72 -0.75 4.63 4.69 2z1mB1 HIS 181 HB2 -0.49 -0.09 -0.23 -0.04 3.26 2.41 2z1mB1 HIS 181 HB3 -1.37 0.06 -0.19 -0.04 3.20 1.65 2z1mB1 HIS 181 HD2 -0.09 -0.08 -0.10 -0.04 6.97 6.65 2z1mB1 HIS 181 HE1 0.08 0.07 -0.05 -0.04 7.75 7.80 2z1mB1 GLU 182 H 0.09 0.66 0.39 -0.55 8.60 9.19 2z1mB1 GLU 182 HA -0.01 0.12 0.85 -0.75 4.29 4.50 2z1mB1 GLU 182 HB2 0.12 0.08 -0.06 -0.04 2.09 2.19 2z1mB1 GLU 182 HB3 0.04 -0.02 0.05 -0.04 1.99 2.02 2z1mB1 GLU 182 HG2 0.26 0.05 -0.17 -0.04 2.34 2.43 2z1mB1 GLU 182 HG3 -0.10 0.03 -0.12 -0.04 2.34 2.11 2z1mB1 SER 183 H 0.11 0.35 0.28 -0.55 8.46 8.64 2z1mB1 SER 183 HA 0.26 0.19 0.49 -0.75 4.49 4.68 2z1mB1 SER 183 HB2 0.24 0.16 0.17 -0.04 3.95 4.48 2z1mB1 SER 183 HB3 0.04 0.03 -0.22 -0.04 3.93 3.74 2z1mB1 PRO 184 HA 0.18 0.14 0.63 -0.51 4.44 4.87 2z1mB1 PRO 184 HB2 0.19 0.06 -0.04 -0.04 2.28 2.46 2z1mB1 PRO 184 HB3 0.16 0.09 0.12 -0.04 2.02 2.35 2z1mB1 PRO 184 HG2 0.18 0.11 0.05 -0.04 2.03 2.33 2z1mB1 PRO 184 HG3 0.14 0.17 -0.03 -0.04 2.03 2.28 2z1mB1 PRO 184 HD2 0.31 0.11 0.19 -0.04 3.68 4.24 2z1mB1 PRO 184 HD3 0.27 0.10 0.10 -0.04 3.65 4.08 2z1mB1 LEU 185 H 0.22 -0.00 -0.32 -0.55 8.37 7.71 2z1mB1 LEU 185 HA 0.32 0.26 0.63 -0.75 4.35 4.81 2z1mB1 LEU 185 HB2 -0.07 -0.08 -0.02 -0.04 1.64 1.42 2z1mB1 LEU 185 HB3 -0.36 -0.02 0.07 -0.04 1.64 1.28 2z1mB1 LEU 185 HG -0.09 -0.04 -0.05 -0.04 1.64 1.42 2z1mB1 LEU 185 HD13 -0.82 0.02 -0.05 -0.04 0.93 0.03 2z1mB1 LEU 185 HD23 -0.12 0.03 -0.15 -0.04 0.89 0.61 2z1mB1 ARG 186 H 0.17 0.24 -0.37 -0.55 8.46 7.95 2z1mB1 ARG 186 HA 0.08 -0.09 0.48 -0.75 4.34 4.05 2z1mB1 ARG 186 HB2 0.07 -0.17 0.24 -0.04 1.90 2.00 2z1mB1 ARG 186 HB3 0.13 0.09 0.06 -0.04 1.80 2.04 2z1mB1 ARG 186 HG2 0.02 -0.12 0.04 -0.04 1.67 1.58 2z1mB1 ARG 186 HG3 0.14 0.12 0.03 -0.04 1.67 1.92 2z1mB1 ARG 186 HD2 -0.25 -0.07 0.17 -0.04 3.22 3.03 2z1mB1 ARG 186 HD3 -0.14 0.02 0.19 -0.04 3.22 3.25 2z1mB1 GLY 187 H 0.29 -0.01 0.23 -0.55 8.43 8.39 2z1mB1 GLY 187 HA2 0.32 0.18 0.49 -0.51 4.01 4.49 2z1mB1 GLY 187 HA3 0.40 -0.04 0.39 -0.51 4.01 4.26 2z1mB1 ILE 188 H 0.06 0.21 0.18 -0.55 8.25 8.15 2z1mB1 ILE 188 HA 0.01 0.10 0.31 -0.75 4.18 3.85 2z1mB1 ILE 188 HB -0.21 0.08 0.09 -0.04 1.89 1.82 2z1mB1 ILE 188 HG12 -0.25 0.06 -0.03 -0.04 1.49 1.23 2z1mB1 ILE 188 HG13 -0.10 -0.01 -0.09 -0.04 1.21 0.96 2z1mB1 ILE 188 HG23 -0.11 0.00 -0.03 -0.04 0.93 0.76 2z1mB1 ILE 188 HD13 -0.17 -0.00 -0.10 -0.04 0.88 0.57 2z1mB1 GLU 189 H 0.02 -0.01 -0.32 -0.55 8.60 7.74 2z1mB1 GLU 189 HA -0.16 0.12 0.38 -0.75 4.29 3.88 2z1mB1 GLU 189 HB2 -0.40 -0.05 -0.04 -0.04 2.09 1.56 2z1mB1 GLU 189 HB3 -0.47 -0.00 0.05 -0.04 1.99 1.53 2z1mB1 GLU 189 HG2 -0.27 0.02 0.03 -0.04 2.34 2.07 2z1mB1 GLU 189 HG3 -0.12 0.06 0.02 -0.04 2.34 2.26 2z1mB1 PHE 190 H 0.17 0.39 -0.40 -0.55 8.34 7.95 2z1mB1 PHE 190 HA 0.06 0.12 0.58 -0.75 4.62 4.63 2z1mB1 PHE 190 HB2 0.05 0.13 0.09 -0.04 3.15 3.38 2z1mB1 PHE 190 HB3 0.05 -0.10 0.07 -0.04 3.06 3.05 2z1mB1 PHE 190 HD2 0.10 0.04 0.08 -0.04 7.28 7.45 2z1mB1 PHE 190 HE2 0.02 0.02 0.04 -0.04 7.38 7.42 2z1mB1 PHE 190 HZ -0.29 0.02 -0.02 -0.04 7.32 6.99 2z1mB1 VAL 191 H 0.19 0.14 0.17 -0.55 8.24 8.19 2z1mB1 VAL 191 HA -0.01 0.16 0.19 -0.75 4.13 3.71 2z1mB1 VAL 191 HB 0.07 0.04 0.15 -0.04 2.12 2.33 2z1mB1 VAL 191 HG13 0.11 0.00 -0.03 -0.04 0.97 1.01 2z1mB1 VAL 191 HG23 -0.03 0.02 0.00 -0.04 0.95 0.91 2z1mB1 THR 192 H -0.05 0.04 -0.16 -0.55 8.28 7.56 2z1mB1 THR 192 HA -0.72 0.10 0.35 -0.75 4.39 3.36 2z1mB1 THR 192 HB -0.25 0.07 -0.05 -0.04 4.32 4.05 2z1mB1 THR 192 HG23 -1.08 0.00 -0.03 -0.04 1.22 0.07 2z1mB1 ARG 193 H 0.06 0.09 -0.19 -0.55 8.46 7.87 2z1mB1 ARG 193 HA 0.12 0.06 0.45 -0.75 4.34 4.21 2z1mB1 ARG 193 HB2 0.13 0.13 -0.03 -0.04 1.90 2.09 2z1mB1 ARG 193 HB3 0.08 0.00 -0.17 -0.04 1.80 1.66 2z1mB1 ARG 193 HG2 0.14 -0.23 -0.13 -0.04 1.67 1.42 2z1mB1 ARG 193 HG3 0.15 0.33 -0.43 -0.04 1.67 1.68 2z1mB1 ARG 193 HD2 0.14 -0.11 -0.00 -0.04 3.22 3.21 2z1mB1 ARG 193 HD3 0.17 0.07 -0.01 -0.04 3.22 3.41 2z1mB1 LYS 194 H 0.04 0.54 -0.16 -0.55 8.42 8.29 2z1mB1 LYS 194 HA 0.05 0.05 0.37 -0.75 4.32 4.04 2z1mB1 LYS 194 HB2 -0.02 0.14 -0.03 -0.04 1.87 1.92 2z1mB1 LYS 194 HB3 -0.02 0.00 0.08 -0.04 1.79 1.81 2z1mB1 LYS 194 HG2 -0.02 -0.02 -0.20 -0.04 1.46 1.17 2z1mB1 LYS 194 HG3 -0.01 0.00 0.02 -0.04 1.46 1.42 2z1mB1 LYS 194 HD2 -0.12 0.01 -0.02 -0.04 1.69 1.51 2z1mB1 LYS 194 HD3 -0.16 -0.08 -0.02 -0.04 1.68 1.38 2z1mB1 LYS 194 HE2 -0.14 0.01 0.02 -0.04 2.99 2.84 2z1mB1 LYS 194 HE3 -0.09 -0.03 0.03 -0.04 2.99 2.86 2z1mB1 ILE 195 H 0.02 0.61 -0.18 -0.55 8.25 8.15 2z1mB1 ILE 195 HA 0.07 0.01 0.37 -0.75 4.18 3.88 2z1mB1 ILE 195 HB 0.11 0.10 0.13 -0.04 1.89 2.19 2z1mB1 ILE 195 HG12 0.07 -0.03 -0.04 -0.04 1.49 1.45 2z1mB1 ILE 195 HG13 -0.01 0.10 0.04 -0.04 1.21 1.30 2z1mB1 ILE 195 HG23 0.26 -0.02 -0.19 -0.04 0.93 0.94 2z1mB1 ILE 195 HD13 -0.08 -0.05 -0.12 -0.04 0.88 0.59 2z1mB1 THR 196 H 0.15 0.47 -0.08 -0.55 8.28 8.27 2z1mB1 THR 196 HA 0.10 0.03 0.31 -0.75 4.39 4.08 2z1mB1 THR 196 HB 0.08 0.03 -0.10 -0.04 4.32 4.29 2z1mB1 THR 196 HG23 0.16 0.01 -0.05 -0.04 1.22 1.30 2z1mB1 TYR 197 H 0.21 0.76 -0.06 -0.55 8.29 8.66 2z1mB1 TYR 197 HA 0.04 0.03 0.43 -0.75 4.56 4.32 2z1mB1 TYR 197 HB2 0.03 0.03 0.10 -0.04 3.06 3.17 2z1mB1 TYR 197 HB3 0.02 0.03 0.04 -0.04 2.98 3.03 2z1mB1 TYR 197 HD2 0.01 -0.01 -0.08 -0.04 7.15 7.03 2z1mB1 TYR 197 HE2 -0.02 0.01 -0.04 -0.04 6.85 6.76 2z1mB1 SER 198 H 0.14 0.60 -0.17 -0.55 8.46 8.48 2z1mB1 SER 198 HA 0.07 0.03 0.40 -0.75 4.49 4.24 2z1mB1 SER 198 HB2 0.06 0.04 0.12 -0.04 3.95 4.13 2z1mB1 SER 198 HB3 0.04 -0.03 -0.02 -0.04 3.93 3.87 2z1mB1 LEU 199 H 0.06 0.52 -0.17 -0.55 8.37 8.24 2z1mB1 LEU 199 HA 0.04 0.01 0.28 -0.75 4.35 3.92 2z1mB1 LEU 199 HB2 0.08 0.10 0.08 -0.04 1.64 1.85 2z1mB1 LEU 199 HB3 0.17 -0.01 -0.07 -0.04 1.64 1.69 2z1mB1 LEU 199 HG 0.05 0.08 0.04 -0.04 1.64 1.78 2z1mB1 LEU 199 HD13 0.09 -0.03 -0.16 -0.04 0.93 0.79 2z1mB1 LEU 199 HD23 -0.08 -0.02 -0.06 -0.04 0.89 0.69 2z1mB1 ALA 200 H 0.01 0.42 -0.26 -0.55 8.40 8.02 2z1mB1 ALA 200 HA 0.03 0.06 0.50 -0.75 4.34 4.18 2z1mB1 ALA 200 HB3 -0.05 0.03 -0.03 -0.04 1.41 1.32 2z1mB1 ARG 201 H -0.08 0.41 -0.21 -0.55 8.46 8.04 2z1mB1 ARG 201 HA 0.03 0.07 0.50 -0.75 4.34 4.19 2z1mB1 ARG 201 HB2 -0.02 0.12 0.13 -0.04 1.90 2.09 2z1mB1 ARG 201 HB3 0.01 -0.08 -0.14 -0.04 1.80 1.56 2z1mB1 ARG 201 HG2 -0.06 0.01 -0.01 -0.04 1.67 1.57 2z1mB1 ARG 201 HG3 -0.31 0.04 0.02 -0.04 1.67 1.37 2z1mB1 ARG 201 HD2 0.12 -0.02 -0.04 -0.04 3.22 3.23 2z1mB1 ARG 201 HD3 0.11 -0.02 -0.08 -0.04 3.22 3.19 2z1mB1 ILE 202 H 0.04 0.56 -0.16 -0.55 8.25 8.14 2z1mB1 ILE 202 HA 0.04 0.20 0.43 -0.75 4.18 4.10 2z1mB1 ILE 202 HB 0.02 0.03 0.06 -0.04 1.89 1.97 2z1mB1 ILE 202 HG12 -0.03 -0.02 -0.58 -0.04 1.49 0.82 2z1mB1 ILE 202 HG13 0.00 0.11 -0.19 -0.04 1.21 1.08 2z1mB1 ILE 202 HG23 -0.07 0.01 -0.15 -0.04 0.93 0.67 2z1mB1 ILE 202 HD13 -0.08 -0.05 -0.33 -0.04 0.88 0.37 2z1mB1 LYS 203 H 0.14 0.59 -0.10 -0.55 8.42 8.50 2z1mB1 LYS 203 HA 0.04 -0.02 0.39 -0.75 4.32 3.98 2z1mB1 LYS 203 HB2 -0.13 0.00 0.19 -0.04 1.87 1.89 2z1mB1 LYS 203 HB3 -0.27 0.11 0.19 -0.04 1.79 1.79 2z1mB1 LYS 203 HG2 -0.75 -0.04 -0.14 -0.04 1.46 0.49 2z1mB1 LYS 203 HG3 -0.52 0.06 0.13 -0.04 1.46 1.09 2z1mB1 LYS 203 HD2 -0.32 0.00 0.12 -0.04 1.69 1.46 2z1mB1 LYS 203 HD3 -0.53 -0.04 0.04 -0.04 1.68 1.10 2z1mB1 LYS 203 HE2 -0.23 -0.06 0.00 -0.04 2.99 2.66 2z1mB1 LYS 203 HE3 -0.55 -0.04 -0.01 -0.04 2.99 2.34 2z1mB1 TYR 204 H 0.06 0.34 -0.37 -0.55 8.29 7.76 2z1mB1 TYR 204 HA -0.01 0.13 0.68 -0.75 4.56 4.60 2z1mB1 TYR 204 HB2 -0.03 0.04 0.09 -0.04 3.06 3.12 2z1mB1 TYR 204 HB3 -0.02 -0.02 0.16 -0.04 2.98 3.06 2z1mB1 TYR 204 HD2 -0.04 0.11 0.02 -0.04 7.15 7.20 2z1mB1 TYR 204 HE2 -0.05 -0.03 0.02 -0.04 6.85 6.75 2z1mB1 GLY 205 H 0.05 0.51 -0.56 -0.55 8.43 7.89 2z1mB1 GLY 205 HA2 0.04 0.08 0.33 -0.51 4.01 3.95 2z1mB1 GLY 205 HA3 0.04 -0.04 0.32 -0.51 4.01 3.83 2z1mB1 LEU 206 H 0.07 0.55 -0.25 -0.55 8.37 8.20 2z1mB1 LEU 206 HA 0.03 0.11 0.65 -0.75 4.35 4.39 2z1mB1 LEU 206 HB2 0.04 -0.00 0.05 -0.04 1.64 1.68 2z1mB1 LEU 206 HB3 0.03 -0.11 0.07 -0.04 1.64 1.59 2z1mB1 LEU 206 HG 0.05 0.21 -0.08 -0.04 1.64 1.78 2z1mB1 LEU 206 HD13 0.00 -0.02 -0.06 -0.04 0.93 0.82 2z1mB1 LEU 206 HD23 0.01 0.02 0.07 -0.04 0.89 0.95 2z1mB1 GLN 207 H 0.03 0.37 -0.20 -0.55 8.47 8.13 2z1mB1 GLN 207 HA 0.02 0.07 0.63 -0.75 4.36 4.34 2z1mB1 GLN 207 HB2 0.03 0.04 -0.29 -0.04 2.15 1.89 2z1mB1 GLN 207 HB3 0.02 -0.00 -0.30 -0.04 2.02 1.70 2z1mB1 GLN 207 HG2 0.02 -0.00 -0.13 -0.04 2.40 2.24 2z1mB1 GLN 207 HG3 0.03 -0.07 0.09 -0.04 2.39 2.40 2z1mB1 GLN 207 HE21 0.05 -0.12 0.05 -0.04 6.97 6.90 2z1mB1 GLN 207 HE22 0.03 0.54 0.11 -0.04 7.69 8.33 2z1mB1 ASP 208 H 0.01 0.07 0.10 -0.55 8.40 8.04 2z1mB1 ASP 208 HA -0.00 0.26 0.88 -0.75 4.63 5.01 2z1mB1 ASP 208 HB2 0.01 -0.06 0.10 -0.04 2.71 2.72 2z1mB1 ASP 208 HB3 -0.00 0.02 0.00 -0.04 2.70 2.68 2z1mB1 LYS 209 H 0.00 0.10 0.09 -0.55 8.42 8.06 2z1mB1 LYS 209 HA -0.05 0.27 0.77 -0.75 4.32 4.55 2z1mB1 LYS 209 HB2 -0.01 -0.04 -0.20 -0.04 1.87 1.58 2z1mB1 LYS 209 HB3 -0.02 0.12 -0.34 -0.04 1.79 1.52 2z1mB1 LYS 209 HG2 0.02 -0.09 -0.13 -0.04 1.46 1.22 2z1mB1 LYS 209 HG3 0.03 -0.05 -0.44 -0.04 1.46 0.95 2z1mB1 LYS 209 HD2 0.02 0.00 -0.19 -0.04 1.69 1.48 2z1mB1 LYS 209 HD3 0.01 0.05 -0.15 -0.04 1.68 1.55 2z1mB1 LYS 209 HE2 0.04 -0.05 -0.13 -0.04 2.99 2.80 2z1mB1 LYS 209 HE3 0.02 0.01 -0.09 -0.04 2.99 2.90 2z1mB1 LEU 210 H -0.01 0.71 0.27 -0.55 8.37 8.79 2z1mB1 LEU 210 HA 0.02 0.12 0.88 -0.75 4.35 4.61 2z1mB1 LEU 210 HB2 0.01 0.02 -0.03 -0.04 1.64 1.61 2z1mB1 LEU 210 HB3 0.00 0.11 0.19 -0.04 1.64 1.90 2z1mB1 LEU 210 HG 0.05 -0.06 -0.33 -0.04 1.64 1.26 2z1mB1 LEU 210 HD13 0.01 -0.00 -0.12 -0.04 0.93 0.77 2z1mB1 LEU 210 HD23 0.07 -0.01 -0.04 -0.04 0.89 0.88 2z1mB1 VAL 211 H 0.03 0.20 0.11 -0.55 8.24 8.03 2z1mB1 VAL 211 HA 0.09 0.25 0.89 -0.75 4.13 4.61 2z1mB1 VAL 211 HB 0.19 -0.01 0.07 -0.04 2.12 2.32 2z1mB1 VAL 211 HG13 0.28 -0.01 -0.18 -0.04 0.97 1.02 2z1mB1 VAL 211 HG23 0.09 0.02 -0.19 -0.04 0.95 0.83 2z1mB1 LEU 212 H 0.12 0.67 0.40 -0.55 8.37 9.01 2z1mB1 LEU 212 HA -0.22 0.14 0.90 -0.75 4.35 4.42 2z1mB1 LEU 212 HB2 0.08 0.11 -0.02 -0.04 1.64 1.77 2z1mB1 LEU 212 HB3 0.04 -0.06 0.02 -0.04 1.64 1.61 2z1mB1 LEU 212 HG 0.01 -0.02 -0.54 -0.04 1.64 1.05 2z1mB1 LEU 212 HD13 0.10 -0.01 -0.14 -0.04 0.93 0.84 2z1mB1 LEU 212 HD23 -0.08 0.01 -0.04 -0.04 0.89 0.74 2z1mB1 GLY 213 H 0.04 0.09 0.06 -0.55 8.43 8.08 2z1mB1 GLY 213 HA2 0.31 0.09 0.40 -0.51 4.01 4.30 2z1mB1 GLY 213 HA3 0.18 0.15 0.23 -0.51 4.01 4.06 2z1mB1 ASN 214 H 0.14 0.12 0.13 -0.55 8.53 8.37 2z1mB1 ASN 214 HA 0.36 0.05 0.42 -0.75 4.76 4.83 2z1mB1 ASN 214 HB2 -0.25 0.03 0.25 -0.04 2.88 2.88 2z1mB1 ASN 214 HB3 -0.03 -0.02 0.23 -0.04 2.79 2.94 2z1mB1 ASN 214 HD21 -0.00 -0.00 0.07 -0.04 7.03 7.05 2z1mB1 ASN 214 HD22 -0.42 0.53 0.20 -0.04 7.74 8.01 2z1mB1 LEU 215 H 0.07 0.22 0.18 -0.55 8.37 8.30 2z1mB1 LEU 215 HA 0.00 0.09 0.41 -0.75 4.35 4.10 2z1mB1 LEU 215 HB2 -0.22 0.03 0.03 -0.04 1.64 1.44 2z1mB1 LEU 215 HB3 -0.35 -0.11 0.06 -0.04 1.64 1.20 2z1mB1 LEU 215 HG 0.00 0.14 -0.03 -0.04 1.64 1.71 2z1mB1 LEU 215 HD13 -0.33 0.01 -0.21 -0.04 0.93 0.36 2z1mB1 LEU 215 HD23 0.02 -0.01 -0.18 -0.04 0.89 0.68 2z1mB1 ASN 216 H 0.02 0.06 -0.25 -0.55 8.53 7.81 2z1mB1 ASN 216 HA -0.03 0.08 0.59 -0.75 4.76 4.65 2z1mB1 ASN 216 HB2 0.01 0.04 0.00 -0.04 2.88 2.90 2z1mB1 ASN 216 HB3 -0.01 0.07 0.07 -0.04 2.79 2.88 2z1mB1 ASN 216 HD21 0.03 -0.05 0.06 -0.04 7.03 7.03 2z1mB1 ASN 216 HD22 0.08 0.01 0.06 -0.04 7.74 7.84 2z1mB1 ALA 217 H 0.02 0.26 -0.33 -0.55 8.40 7.81 2z1mB1 ALA 217 HA -0.01 0.10 0.39 -0.75 4.34 4.06 2z1mB1 ALA 217 HB3 0.02 0.02 0.10 -0.04 1.41 1.50 2z1mB1 LYS 218 H -0.05 0.20 0.22 -0.55 8.42 8.24 2z1mB1 LYS 218 HA -0.08 0.24 0.76 -0.75 4.32 4.49 2z1mB1 LYS 218 HB2 -0.07 -0.00 0.11 -0.04 1.87 1.86 2z1mB1 LYS 218 HB3 -0.11 -0.04 -0.07 -0.04 1.79 1.53 2z1mB1 LYS 218 HG2 -0.05 -0.06 -0.19 -0.04 1.46 1.12 2z1mB1 LYS 218 HG3 -0.04 0.16 -0.03 -0.04 1.46 1.51 2z1mB1 LYS 218 HD2 -0.05 0.01 -0.03 -0.04 1.69 1.59 2z1mB1 LYS 218 HD3 -0.07 -0.04 -0.08 -0.04 1.68 1.46 2z1mB1 LYS 218 HE2 -0.04 -0.03 -0.05 -0.04 2.99 2.83 2z1mB1 LYS 218 HE3 -0.03 0.05 -0.02 -0.04 2.99 2.95 2z1mB1 ARG 219 H -0.41 0.61 0.40 -0.55 8.46 8.50 2z1mB1 ARG 219 HA -0.37 0.19 0.75 -0.75 4.34 4.15 2z1mB1 ARG 219 HB2 -2.30 0.00 -0.05 -0.04 1.90 -0.49 2z1mB1 ARG 219 HB3 -1.69 -0.03 -0.08 -0.04 1.80 -0.04 2z1mB1 ARG 219 HG2 -0.34 -0.06 0.08 -0.04 1.67 1.31 2z1mB1 ARG 219 HG3 -0.30 0.36 -0.10 -0.04 1.67 1.58 2z1mB1 ARG 219 HD2 -0.06 0.01 -0.20 -0.04 3.22 2.93 2z1mB1 ARG 219 HD3 0.09 -0.09 -0.07 -0.04 3.22 3.12 2z1mB1 ASP 220 H -0.21 0.23 0.23 -0.55 8.40 8.10 2z1mB1 ASP 220 HA -0.03 0.37 0.97 -0.75 4.63 5.19 2z1mB1 ASP 220 HB2 -0.03 0.12 0.21 -0.04 2.71 2.98 2z1mB1 ASP 220 HB3 0.18 -0.07 0.30 -0.04 2.70 3.08 2z1mB1 TRP 221 H 0.33 0.28 0.12 -0.55 7.97 8.16 2z1mB1 TRP 221 HA 0.20 0.23 0.84 -0.75 4.62 5.14 2z1mB1 TRP 221 HB2 0.43 0.00 0.09 -0.04 3.23 3.70 2z1mB1 TRP 221 HB3 0.34 0.03 -0.09 -0.04 3.23 3.47 2z1mB1 TRP 221 HD1 0.08 -0.01 -0.14 -0.04 7.22 7.10 2z1mB1 TRP 221 HE1 -0.01 -0.07 -0.07 -0.04 10.20 10.01 2z1mB1 TRP 221 HE3 0.27 -0.00 -0.04 -0.04 7.59 7.78 2z1mB1 TRP 221 HZ2 -0.05 -0.03 -0.09 -0.04 7.44 7.22 2z1mB1 TRP 221 HZ3 0.24 0.08 -0.32 -0.04 7.13 7.09 2z1mB1 TRP 221 HH2 0.08 -0.01 -0.23 -0.04 7.19 6.99 2z1mB1 GLY 222 H 0.28 0.69 0.31 -0.55 8.43 9.16 2z1mB1 GLY 222 HA2 0.39 0.21 0.80 -0.51 4.01 4.91 2z1mB1 GLY 222 HA3 0.36 0.04 0.27 -0.51 4.01 4.17 2z1mB1 TYR 223 H 0.41 0.21 0.11 -0.55 8.29 8.46 2z1mB1 TYR 223 HA 0.04 0.26 0.86 -0.75 4.56 4.96 2z1mB1 TYR 223 HB2 0.08 0.05 0.04 -0.04 3.06 3.19 2z1mB1 TYR 223 HB3 0.11 -0.06 0.22 -0.04 2.98 3.21 2z1mB1 TYR 223 HD2 0.00 0.03 0.08 -0.04 7.15 7.22 2z1mB1 TYR 223 HE2 -0.04 0.03 0.04 -0.04 6.85 6.84 2z1mB1 ALA 224 H -0.11 0.65 0.22 -0.55 8.40 8.61 2z1mB1 ALA 224 HA -0.07 -0.01 0.13 -0.75 4.34 3.62 2z1mB1 ALA 224 HB3 -0.03 0.01 -0.16 -0.04 1.41 1.19 2z1mB1 PRO 225 HA -0.37 0.07 0.42 -0.51 4.44 4.05 2z1mB1 PRO 225 HB2 -0.43 0.05 -0.03 -0.04 2.28 1.83 2z1mB1 PRO 225 HB3 -0.43 0.13 0.06 -0.04 2.02 1.74 2z1mB1 PRO 225 HG2 -1.11 0.09 0.03 -0.04 2.03 1.00 2z1mB1 PRO 225 HG3 -2.10 0.06 0.04 -0.04 2.03 -0.01 2z1mB1 PRO 225 HD2 -2.23 0.05 -0.18 -0.04 3.68 1.28 2z1mB1 PRO 225 HD3 -1.18 0.04 0.08 -0.04 3.65 2.54 2z1mB1 GLU 226 H -0.06 0.38 -0.19 -0.55 8.60 8.18 2z1mB1 GLU 226 HA 0.20 0.17 0.58 -0.75 4.29 4.48 2z1mB1 GLU 226 HB2 0.42 0.06 0.14 -0.04 2.09 2.67 2z1mB1 GLU 226 HB3 0.36 0.04 0.03 -0.04 1.99 2.39 2z1mB1 GLU 226 HG2 0.11 0.14 0.07 -0.04 2.34 2.61 2z1mB1 GLU 226 HG3 0.19 -0.01 0.02 -0.04 2.34 2.49 2z1mB1 TYR 227 H 0.29 0.34 -0.25 -0.55 8.29 8.12 2z1mB1 TYR 227 HA -0.10 0.10 0.50 -0.75 4.56 4.30 2z1mB1 TYR 227 HB2 -0.28 0.06 0.03 -0.04 3.06 2.82 2z1mB1 TYR 227 HB3 -0.45 0.01 -0.08 -0.04 2.98 2.42 2z1mB1 TYR 227 HD2 -0.07 0.03 -0.20 -0.04 7.15 6.87 2z1mB1 TYR 227 HE2 0.30 -0.00 -0.16 -0.04 6.85 6.95 2z1mB1 VAL 228 H 0.01 0.43 -0.07 -0.55 8.24 8.06 2z1mB1 VAL 228 HA -0.11 0.05 0.48 -0.75 4.13 3.81 2z1mB1 VAL 228 HB -0.11 0.03 0.00 -0.04 2.12 2.00 2z1mB1 VAL 228 HG13 0.00 0.02 -0.03 -0.04 0.97 0.92 2z1mB1 VAL 228 HG23 -0.05 0.02 -0.22 -0.04 0.95 0.66 2z1mB1 GLU 229 H 0.06 0.23 -0.46 -0.55 8.60 7.89 2z1mB1 GLU 229 HA 0.11 0.10 0.47 -0.75 4.29 4.21 2z1mB1 GLU 229 HB2 0.10 0.07 0.11 -0.04 2.09 2.33 2z1mB1 GLU 229 HB3 0.31 0.17 0.06 -0.04 1.99 2.49 2z1mB1 GLU 229 HG2 0.33 0.01 -0.18 -0.04 2.34 2.45 2z1mB1 GLU 229 HG3 0.16 0.03 0.01 -0.04 2.34 2.49 2z1mB1 ALA 230 H -0.09 0.20 -0.38 -0.55 8.40 7.59 2z1mB1 ALA 230 HA -0.28 0.09 0.39 -0.75 4.34 3.79 2z1mB1 ALA 230 HB3 -1.21 0.03 0.00 -0.04 1.41 0.20 2z1mB1 MET 231 H -0.19 0.29 -0.31 -0.55 8.47 7.72 2z1mB1 MET 231 HA -0.28 -0.00 0.34 -0.75 4.52 3.83 2z1mB1 MET 231 HB2 -0.23 0.21 0.10 -0.04 2.15 2.18 2z1mB1 MET 231 HB3 -0.62 -0.01 -0.09 -0.04 2.03 1.27 2z1mB1 MET 231 HG2 -0.67 -0.04 -0.06 -0.04 2.63 1.82 2z1mB1 MET 231 HG3 -0.24 0.18 0.02 -0.04 2.56 2.48 2z1mB1 MET 231 HE3 0.05 -0.04 -0.14 -0.04 2.10 1.93 2z1mB1 TRP 232 H 0.14 0.40 -0.23 -0.55 7.97 7.73 2z1mB1 TRP 232 HA 0.10 0.04 0.34 -0.75 4.62 4.35 2z1mB1 TRP 232 HB2 -0.16 -0.05 0.02 -0.04 3.23 3.00 2z1mB1 TRP 232 HB3 -0.06 0.06 0.09 -0.04 3.23 3.27 2z1mB1 TRP 232 HD1 -0.10 -0.04 -0.09 -0.04 7.22 6.94 2z1mB1 TRP 232 HE1 0.30 0.06 -0.10 -0.04 10.20 10.42 2z1mB1 TRP 232 HE3 0.02 0.03 -0.08 -0.04 7.59 7.51 2z1mB1 TRP 232 HZ2 0.12 0.05 -0.06 -0.04 7.44 7.51 2z1mB1 TRP 232 HZ3 0.04 -0.02 -0.06 -0.04 7.13 7.05 2z1mB1 TRP 232 HH2 0.05 -0.00 -0.05 -0.04 7.19 7.15 2z1mB1 LEU 233 H 0.15 0.51 -0.18 -0.55 8.37 8.30 2z1mB1 LEU 233 HA -0.48 0.06 0.31 -0.75 4.35 3.49 2z1mB1 LEU 233 HB2 -0.02 -0.02 0.12 -0.04 1.64 1.67 2z1mB1 LEU 233 HB3 -0.08 0.01 -0.07 -0.04 1.64 1.46 2z1mB1 LEU 233 HG 0.37 0.03 -0.00 -0.04 1.64 1.99 2z1mB1 LEU 233 HD13 0.26 -0.01 -0.14 -0.04 0.93 0.99 2z1mB1 LEU 233 HD23 0.02 0.02 -0.02 -0.04 0.89 0.87 2z1mB1 MET 234 H -0.14 0.54 -0.20 -0.55 8.47 8.13 2z1mB1 MET 234 HA -0.13 -0.02 0.36 -0.75 4.52 3.98 2z1mB1 MET 234 HB2 0.03 0.19 0.09 -0.04 2.15 2.42 2z1mB1 MET 234 HB3 0.14 -0.03 -0.08 -0.04 2.03 2.01 2z1mB1 MET 234 HG2 -0.16 -0.04 -0.07 -0.04 2.63 2.32 2z1mB1 MET 234 HG3 -0.28 0.08 -0.01 -0.04 2.56 2.32 2z1mB1 MET 234 HE3 0.26 0.04 -0.23 -0.04 2.10 2.12 2z1mB1 MET 235 H -0.07 0.32 -0.47 -0.55 8.47 7.70 2z1mB1 MET 235 HA 0.25 0.05 0.36 -0.75 4.52 4.43 2z1mB1 MET 235 HB2 -0.09 0.12 0.05 -0.04 2.15 2.19 2z1mB1 MET 235 HB3 -0.11 -0.03 0.01 -0.04 2.03 1.86 2z1mB1 MET 235 HG2 0.07 -0.01 -0.07 -0.04 2.63 2.58 2z1mB1 MET 235 HG3 -0.16 -0.11 -0.13 -0.04 2.56 2.11 2z1mB1 MET 235 HE3 -0.52 -0.01 -0.30 -0.04 2.10 1.24 2z1mB1 GLN 236 H -0.30 0.37 -0.36 -0.55 8.47 7.63 2z1mB1 GLN 236 HA -0.26 0.14 0.72 -0.75 4.36 4.21 2z1mB1 GLN 236 HB2 -0.51 0.03 0.02 -0.04 2.15 1.66 2z1mB1 GLN 236 HB3 -0.35 -0.07 0.09 -0.04 2.02 1.64 2z1mB1 GLN 236 HG2 -1.67 0.17 -0.15 -0.04 2.40 0.71 2z1mB1 GLN 236 HG3 -1.55 -0.09 -0.08 -0.04 2.39 0.63 2z1mB1 GLN 236 HE21 -0.05 -0.03 -0.19 -0.04 6.97 6.65 2z1mB1 GLN 236 HE22 -0.84 0.13 -0.15 -0.04 7.69 6.79 2z1mB1 GLN 237 H 0.03 0.23 -0.31 -0.55 8.47 7.87 2z1mB1 GLN 237 HA 0.01 0.04 0.43 -0.75 4.36 4.09 2z1mB1 GLN 237 HB2 0.15 0.18 0.04 -0.04 2.15 2.47 2z1mB1 GLN 237 HB3 0.08 -0.12 0.10 -0.04 2.02 2.04 2z1mB1 GLN 237 HG2 -0.03 0.12 0.06 -0.04 2.40 2.51 2z1mB1 GLN 237 HG3 0.03 -0.12 -0.03 -0.04 2.39 2.24 2z1mB1 GLN 237 HE21 -0.08 -0.05 -0.06 -0.04 6.97 6.75 2z1mB1 GLN 237 HE22 -0.13 0.35 -0.04 -0.04 7.69 7.82 2z1mB1 PRO 238 HA 0.09 0.11 0.52 -0.51 4.44 4.65 2z1mB1 PRO 238 HB2 0.06 -0.01 -0.01 -0.04 2.28 2.28 2z1mB1 PRO 238 HB3 0.04 -0.00 0.12 -0.04 2.02 2.14 2z1mB1 PRO 238 HG2 0.05 -0.02 0.11 -0.04 2.03 2.13 2z1mB1 PRO 238 HG3 0.03 -0.00 0.10 -0.04 2.03 2.12 2z1mB1 PRO 238 HD2 0.05 0.08 0.24 -0.04 3.68 4.00 2z1mB1 PRO 238 HD3 0.03 0.14 0.18 -0.04 3.65 3.96 2z1mB1 GLU 239 H 0.09 0.09 -0.16 -0.55 8.60 8.08 2z1mB1 GLU 239 HA 0.04 0.27 0.89 -0.75 4.29 4.73 2z1mB1 GLU 239 HB2 0.00 -0.09 -0.02 -0.04 2.09 1.94 2z1mB1 GLU 239 HB3 -0.05 0.10 -0.01 -0.04 1.99 1.99 2z1mB1 GLU 239 HG2 0.04 0.14 -0.27 -0.04 2.34 2.21 2z1mB1 GLU 239 HG3 0.03 -0.09 -0.14 -0.04 2.34 2.10 2z1mB1 PRO 240 HA -0.54 0.12 0.49 -0.51 4.44 4.00 2z1mB1 PRO 240 HB2 -0.43 0.13 -0.11 -0.04 2.28 1.83 2z1mB1 PRO 240 HB3 -1.56 -0.01 -0.04 -0.04 2.02 0.37 2z1mB1 PRO 240 HG2 -0.26 0.00 0.09 -0.04 2.03 1.82 2z1mB1 PRO 240 HG3 -0.41 0.11 0.10 -0.04 2.03 1.78 2z1mB1 PRO 240 HD2 -0.18 0.04 0.19 -0.04 3.68 3.69 2z1mB1 PRO 240 HD3 -0.37 0.23 0.15 -0.04 3.65 3.62 2z1mB1 ASP 241 H -0.07 0.28 0.21 -0.55 8.40 8.27 2z1mB1 ASP 241 HA -0.15 0.10 0.47 -0.75 4.63 4.29 2z1mB1 ASP 241 HB2 -0.08 0.14 -0.32 -0.04 2.71 2.40 2z1mB1 ASP 241 HB3 -0.33 -0.03 -0.10 -0.04 2.70 2.19 2z1mB1 ASP 242 H -0.28 0.17 0.20 -0.55 8.40 7.95 2z1mB1 ASP 242 HA -0.05 0.24 1.03 -0.75 4.63 5.09 2z1mB1 ASP 242 HB2 -0.09 -0.04 0.10 -0.04 2.71 2.65 2z1mB1 ASP 242 HB3 -0.01 0.07 0.15 -0.04 2.70 2.87 2z1mB1 TYR 243 H 0.11 0.39 0.30 -0.55 8.29 8.54 2z1mB1 TYR 243 HA 0.00 0.11 0.94 -0.75 4.56 4.86 2z1mB1 TYR 243 HB2 -0.06 -0.01 -0.07 -0.04 3.06 2.87 2z1mB1 TYR 243 HB3 -0.06 0.02 -0.12 -0.04 2.98 2.78 2z1mB1 TYR 243 HD2 -0.01 -0.08 -0.26 -0.04 7.15 6.76 2z1mB1 TYR 243 HE2 -0.01 0.08 -0.18 -0.04 6.85 6.70 2z1mB1 VAL 244 H 0.12 0.09 0.15 -0.55 8.24 8.05 2z1mB1 VAL 244 HA 0.20 0.29 0.80 -0.75 4.13 4.67 2z1mB1 VAL 244 HB 0.10 -0.03 0.14 -0.04 2.12 2.29 2z1mB1 VAL 244 HG13 0.10 0.01 -0.29 -0.04 0.97 0.75 2z1mB1 VAL 244 HG23 0.28 -0.01 -0.21 -0.04 0.95 0.97 2z1mB1 ILE 245 H 0.12 0.59 0.12 -0.55 8.25 8.54 2z1mB1 ILE 245 HA -0.39 0.18 0.77 -0.75 4.18 3.99 2z1mB1 ILE 245 HB -0.27 -0.06 -0.01 -0.04 1.89 1.51 2z1mB1 ILE 245 HG12 -0.17 0.01 -0.48 -0.04 1.49 0.81 2z1mB1 ILE 245 HG13 -0.46 0.03 -0.20 -0.04 1.21 0.54 2z1mB1 ILE 245 HG23 -1.66 0.01 -0.16 -0.04 0.93 -0.92 2z1mB1 ILE 245 HD13 -0.72 0.07 -0.19 -0.04 0.88 0.01 2z1mB1 ALA 246 H 0.07 0.47 0.12 -0.55 8.40 8.51 2z1mB1 ALA 246 HA 0.35 0.08 0.57 -0.75 4.34 4.58 2z1mB1 ALA 246 HB3 -0.26 -0.01 -0.18 -0.04 1.41 0.93 2z1mB1 THR 247 H 0.19 0.05 0.10 -0.55 8.28 8.07 2z1mB1 THR 247 HA 0.17 0.25 0.85 -0.75 4.39 4.90 2z1mB1 THR 247 HB 0.16 0.07 0.07 -0.04 4.32 4.59 2z1mB1 THR 247 HG23 0.36 0.04 -0.10 -0.04 1.22 1.48 2z1mB1 GLY 248 H -0.04 -0.12 0.11 -0.55 8.43 7.83 2z1mB1 GLY 248 HA2 -0.11 0.38 0.38 -0.51 4.01 4.14 2z1mB1 GLY 248 HA3 -0.04 0.14 0.61 -0.51 4.01 4.21 2z1mB1 GLU 249 H -0.00 0.02 -0.08 -0.55 8.60 7.99 2z1mB1 GLU 249 HA -0.10 0.19 0.65 -0.75 4.29 4.27 2z1mB1 GLU 249 HB2 -0.17 0.07 0.05 -0.04 2.09 2.00 2z1mB1 GLU 249 HB3 -0.04 0.13 -0.06 -0.04 1.99 1.97 2z1mB1 GLU 249 HG2 0.07 -0.00 -0.13 -0.04 2.34 2.23 2z1mB1 GLU 249 HG3 0.06 -0.07 -0.08 -0.04 2.34 2.21 2z1mB1 THR 250 H -0.18 0.20 0.11 -0.55 8.28 7.87 2z1mB1 THR 250 HA -0.16 0.30 0.96 -0.75 4.39 4.74 2z1mB1 THR 250 HB -0.16 -0.02 -0.04 -0.04 4.32 4.06 2z1mB1 THR 250 HG23 -0.11 -0.01 -0.31 -0.04 1.22 0.74 2z1mB1 HIS 251 H -0.11 0.60 0.41 -0.55 8.41 8.77 2z1mB1 HIS 251 HA -0.06 0.15 0.63 -0.75 4.63 4.59 2z1mB1 HIS 251 HB2 -0.10 -0.01 0.08 -0.04 3.26 3.19 2z1mB1 HIS 251 HB3 -0.08 -0.03 0.12 -0.04 3.20 3.17 2z1mB1 HIS 251 HD2 -0.44 -0.00 -0.14 -0.04 6.97 6.34 2z1mB1 HIS 251 HE1 0.02 0.01 -0.00 -0.04 7.75 7.73 2z1mB1 THR 252 H 0.16 0.09 0.14 -0.55 8.28 8.12 2z1mB1 THR 252 HA 0.10 0.40 0.70 -0.75 4.39 4.84 2z1mB1 THR 252 HB 0.05 0.24 0.19 -0.04 4.32 4.75 2z1mB1 THR 252 HG23 0.01 0.06 -0.01 -0.04 1.22 1.24 2z1mB1 VAL 253 H 0.21 0.69 0.18 -0.55 8.24 8.77 2z1mB1 VAL 253 HA 0.47 0.00 0.56 -0.75 4.13 4.40 2z1mB1 VAL 253 HB 0.12 0.06 0.14 -0.04 2.12 2.39 2z1mB1 VAL 253 HG13 0.12 -0.01 -0.16 -0.04 0.97 0.87 2z1mB1 VAL 253 HG23 0.27 0.03 -0.00 -0.04 0.95 1.21 2z1mB1 ARG 254 H 0.02 0.66 0.05 -0.55 8.46 8.63 2z1mB1 ARG 254 HA -0.13 0.04 0.36 -0.75 4.34 3.86 2z1mB1 ARG 254 HB2 -0.43 0.03 0.05 -0.04 1.90 1.51 2z1mB1 ARG 254 HB3 -0.16 -0.04 0.04 -0.04 1.80 1.60 2z1mB1 ARG 254 HG2 -0.25 -0.01 -0.28 -0.04 1.67 1.09 2z1mB1 ARG 254 HG3 -1.85 -0.00 -0.05 -0.04 1.67 -0.28 2z1mB1 ARG 254 HD2 -0.32 0.01 -0.08 -0.04 3.22 2.79 2z1mB1 ARG 254 HD3 -1.16 0.03 -0.08 -0.04 3.22 1.97 2z1mB1 GLU 255 H 0.17 0.08 -0.27 -0.55 8.60 8.03 2z1mB1 GLU 255 HA 0.23 0.07 0.41 -0.75 4.29 4.25 2z1mB1 GLU 255 HB2 0.30 0.00 0.18 -0.04 2.09 2.53 2z1mB1 GLU 255 HB3 0.37 0.02 -0.03 -0.04 1.99 2.31 2z1mB1 GLU 255 HG2 0.20 0.05 0.05 -0.04 2.34 2.61 2z1mB1 GLU 255 HG3 0.14 -0.01 0.05 -0.04 2.34 2.48 2z1mB1 PHE 256 H 0.49 0.49 -0.16 -0.55 8.34 8.61 2z1mB1 PHE 256 HA 0.13 -0.01 0.40 -0.75 4.62 4.39 2z1mB1 PHE 256 HB2 -0.01 0.02 0.08 -0.04 3.15 3.20 2z1mB1 PHE 256 HB3 -0.02 0.12 0.10 -0.04 3.06 3.21 2z1mB1 PHE 256 HD2 -0.30 0.03 -0.20 -0.04 7.28 6.77 2z1mB1 PHE 256 HE2 -0.34 0.03 -0.06 -0.04 7.38 6.97 2z1mB1 PHE 256 HZ -0.25 -0.00 -0.07 -0.04 7.32 6.96 2z1mB1 VAL 257 H 0.32 0.58 -0.19 -0.55 8.24 8.41 2z1mB1 VAL 257 HA 0.23 0.02 0.36 -0.75 4.13 3.99 2z1mB1 VAL 257 HB 0.43 0.08 0.09 -0.04 2.12 2.68 2z1mB1 VAL 257 HG13 0.29 -0.01 -0.16 -0.04 0.97 1.05 2z1mB1 VAL 257 HG23 0.23 0.05 -0.06 -0.04 0.95 1.13 2z1mB1 GLU 258 H 0.34 0.64 -0.04 -0.55 8.60 8.99 2z1mB1 GLU 258 HA 0.18 -0.02 0.35 -0.75 4.29 4.05 2z1mB1 GLU 258 HB2 0.23 0.06 0.13 -0.04 2.09 2.47 2z1mB1 GLU 258 HB3 0.20 -0.01 -0.04 -0.04 1.99 2.10 2z1mB1 GLU 258 HG2 0.68 -0.04 -0.01 -0.04 2.34 2.94 2z1mB1 GLU 258 HG3 0.64 0.29 0.05 -0.04 2.34 3.28 2z1mB1 LYS 259 H 0.07 0.57 -0.13 -0.55 8.42 8.37 2z1mB1 LYS 259 HA -0.03 0.04 0.46 -0.75 4.32 4.04 2z1mB1 LYS 259 HB2 -0.22 0.10 0.11 -0.04 1.87 1.82 2z1mB1 LYS 259 HB3 -0.23 -0.05 -0.00 -0.04 1.79 1.47 2z1mB1 LYS 259 HG2 -0.00 -0.02 0.03 -0.04 1.46 1.43 2z1mB1 LYS 259 HG3 0.08 0.02 0.06 -0.04 1.46 1.58 2z1mB1 LYS 259 HD2 0.16 0.02 -0.15 -0.04 1.69 1.68 2z1mB1 LYS 259 HD3 -0.07 -0.09 -0.07 -0.04 1.68 1.40 2z1mB1 LYS 259 HE2 0.23 0.01 -0.02 -0.04 2.99 3.18 2z1mB1 LYS 259 HE3 0.37 -0.06 -0.06 -0.04 2.99 3.19 2z1mB1 ALA 260 H -0.14 0.49 -0.20 -0.55 8.40 8.00 2z1mB1 ALA 260 HA -0.16 0.03 0.49 -0.75 4.34 3.94 2z1mB1 ALA 260 HB3 -0.12 0.01 0.05 -0.04 1.41 1.31 2z1mB1 ALA 261 H 0.05 0.74 -0.05 -0.55 8.40 8.60 2z1mB1 ALA 261 HA 0.23 0.02 0.36 -0.75 4.34 4.20 2z1mB1 ALA 261 HB3 0.09 0.00 0.03 -0.04 1.41 1.50 2z1mB1 LYS 262 H 0.03 0.53 -0.17 -0.55 8.42 8.25 2z1mB1 LYS 262 HA -0.01 0.28 0.51 -0.75 4.32 4.35 2z1mB1 ILE 263 H -0.05 0.34 -0.22 -0.55 8.25 7.77 2z1mB1 ILE 263 HA -0.07 0.02 0.42 -0.75 4.18 3.80 2z1mB1 ILE 263 HB -0.06 0.12 0.09 -0.04 1.89 2.00 2z1mB1 ILE 263 HG12 -0.10 0.35 0.20 -0.04 1.49 1.90 2z1mB1 ILE 263 HG13 -0.12 -0.12 0.00 -0.04 1.21 0.93 2z1mB1 ILE 263 HG23 -0.06 -0.02 0.01 -0.04 0.93 0.81 2z1mB1 ILE 263 HD13 -0.09 -0.03 0.02 -0.04 0.88 0.74 2z1mB1 ALA 264 H -0.03 0.30 -0.37 -0.55 8.40 7.75 2z1mB1 ALA 264 HA -0.15 0.08 0.50 -0.75 4.34 4.02 2z1mB1 ALA 264 HB3 0.02 -0.01 0.04 -0.04 1.41 1.42 2z1mB1 GLY 265 H -0.17 0.39 -0.42 -0.55 8.43 7.69 2z1mB1 GLY 265 HA2 -0.19 0.02 0.28 -0.51 4.01 3.61 2z1mB1 GLY 265 HA3 -0.36 0.11 0.66 -0.51 4.01 3.92 2z1mB1 PHE 266 H -0.14 0.56 -0.02 -0.55 8.34 8.19 2z1mB1 PHE 266 HA -0.08 0.10 0.78 -0.75 4.62 4.68 2z1mB1 PHE 266 HB2 -0.08 -0.06 -0.12 -0.04 3.15 2.86 2z1mB1 PHE 266 HB3 -0.10 -0.16 -0.05 -0.04 3.06 2.71 2z1mB1 PHE 266 HD2 -0.07 -0.08 -0.02 -0.04 7.28 7.06 2z1mB1 PHE 266 HE2 -0.07 0.07 -0.05 -0.04 7.38 7.28 2z1mB1 PHE 266 HZ -0.09 0.05 -0.26 -0.04 7.32 6.98 2z1mB1 ASP 267 H 0.08 0.01 0.07 -0.55 8.40 8.01 2z1mB1 ASP 267 HA -0.00 0.22 0.74 -0.75 4.63 4.84 2z1mB1 ASP 267 HB2 -0.01 0.15 -0.05 -0.04 2.71 2.76 2z1mB1 ASP 267 HB3 -0.01 -0.24 0.25 -0.04 2.70 2.66 2z1mB1 ILE 268 H -0.08 0.20 -0.09 -0.55 8.25 7.74 2z1mB1 ILE 268 HA -0.28 0.10 0.21 -0.75 4.18 3.45 2z1mB1 ILE 268 HB -0.33 -0.01 0.02 -0.04 1.89 1.54 2z1mB1 ILE 268 HG12 -0.37 0.00 -0.28 -0.04 1.49 0.80 2z1mB1 ILE 268 HG13 -0.15 -0.03 -0.18 -0.04 1.21 0.81 2z1mB1 ILE 268 HG23 -1.63 -0.03 -0.35 -0.04 0.93 -1.11 2z1mB1 ILE 268 HD13 -0.29 0.01 -0.18 -0.04 0.88 0.38 2z1mB1 GLU 269 H -0.27 0.73 0.37 -0.55 8.60 8.88 2z1mB1 GLU 269 HA -0.13 0.09 0.83 -0.75 4.29 4.33 2z1mB1 GLU 269 HB2 -0.07 0.01 0.11 -0.04 2.09 2.10 2z1mB1 GLU 269 HB3 -0.11 0.08 0.20 -0.04 1.99 2.12 2z1mB1 GLU 269 HG2 -0.01 0.08 -0.31 -0.04 2.34 2.06 2z1mB1 GLU 269 HG3 -0.00 -0.01 0.03 -0.04 2.34 2.31 2z1mB1 TRP 270 H 0.10 0.15 0.11 -0.55 7.97 7.79 2z1mB1 TRP 270 HA 0.02 0.27 0.95 -0.75 4.62 5.10 2z1mB1 TRP 270 HB2 0.03 -0.02 0.10 -0.04 3.23 3.30 2z1mB1 TRP 270 HB3 0.03 0.04 -0.04 -0.04 3.23 3.22 2z1mB1 TRP 270 HD1 0.04 0.03 -0.03 -0.04 7.22 7.22 2z1mB1 TRP 270 HE1 0.06 0.00 -0.09 -0.04 10.20 10.12 2z1mB1 TRP 270 HE3 0.03 0.18 -0.38 -0.04 7.59 7.37 2z1mB1 TRP 270 HZ2 0.06 0.00 -0.07 -0.04 7.44 7.39 2z1mB1 TRP 270 HZ3 0.03 0.02 -0.32 -0.04 7.13 6.81 2z1mB1 TRP 270 HH2 0.04 -0.00 -0.13 -0.04 7.19 7.05 2z1mB1 VAL 271 H 0.23 0.65 0.37 -0.55 8.24 8.93 2z1mB1 VAL 271 HA 0.11 0.12 0.89 -0.75 4.13 4.49 2z1mB1 VAL 271 HB 0.05 -0.02 0.05 -0.04 2.12 2.15 2z1mB1 VAL 271 HG13 0.03 0.01 -0.22 -0.04 0.97 0.75 2z1mB1 VAL 271 HG23 0.04 0.03 0.02 -0.04 0.95 1.01 2z1mB1 GLY 272 H 0.07 0.11 0.08 -0.55 8.43 8.15 2z1mB1 GLY 272 HA2 0.04 0.01 0.28 -0.51 4.01 3.83 2z1mB1 GLY 272 HA3 0.05 0.30 0.42 -0.51 4.01 4.28 2z1mB1 GLU 273 H 0.01 0.22 0.05 -0.55 8.60 8.34 2z1mB1 GLU 273 HA 0.02 0.19 0.82 -0.75 4.29 4.56 2z1mB1 GLY 274 H 0.03 0.15 0.12 -0.55 8.43 8.18 2z1mB1 GLY 274 HA2 0.15 0.03 0.34 -0.51 4.01 4.02 2z1mB1 GLY 274 HA3 -0.04 0.07 0.40 -0.51 4.01 3.93 2z1mB1 ILE 275 H -0.56 0.17 0.19 -0.55 8.25 7.50 2z1mB1 ILE 275 HA -0.52 0.06 0.29 -0.75 4.18 3.26 2z1mB1 ILE 275 HB -0.97 -0.04 0.06 -0.04 1.89 0.91 2z1mB1 ILE 275 HG12 -0.16 0.07 -0.01 -0.04 1.49 1.35 2z1mB1 ILE 275 HG13 -0.27 -0.00 -0.18 -0.04 1.21 0.72 2z1mB1 ILE 275 HG23 -0.20 0.01 -0.07 -0.04 0.93 0.63 2z1mB1 ILE 275 HD13 -0.10 -0.02 -0.05 -0.04 0.88 0.66 2z1mB1 ASN 276 H -0.13 0.32 -0.30 -0.55 8.53 7.87 2z1mB1 ASN 276 HA -0.04 0.17 0.62 -0.75 4.76 4.75 2z1mB1 ASN 276 HB2 -0.03 0.13 0.15 -0.04 2.88 3.08 2z1mB1 ASN 276 HB3 -0.01 -0.05 0.08 -0.04 2.79 2.78 2z1mB1 ASN 276 HD21 -0.03 0.01 -0.00 -0.04 7.03 6.97 2z1mB1 ASN 276 HD22 -0.04 -0.01 0.04 -0.04 7.74 7.69 2z1mB1 GLU 277 H -0.02 0.28 -0.65 -0.55 8.60 7.67 2z1mB1 GLU 277 HA 0.10 0.23 0.25 -0.75 4.29 4.11 2z1mB1 GLU 277 HB2 0.03 -0.21 -0.32 -0.04 2.09 1.54 2z1mB1 GLU 277 HB3 0.04 -0.03 -0.09 -0.04 1.99 1.87 2z1mB1 GLU 277 HG2 0.26 -0.01 -0.34 -0.04 2.34 2.21 2z1mB1 GLU 277 HG3 0.19 0.17 -0.23 -0.04 2.34 2.42 2z1mB1 LYS 278 H 0.19 0.67 0.40 -0.55 8.42 9.13 2z1mB1 LYS 278 HA 0.21 0.15 0.74 -0.75 4.32 4.67 2z1mB1 LYS 278 HB2 0.06 -0.01 0.09 -0.04 1.87 1.97 2z1mB1 LYS 278 HB3 0.04 0.02 0.11 -0.04 1.79 1.92 2z1mB1 LYS 278 HG2 0.07 -0.05 0.12 -0.04 1.46 1.56 2z1mB1 LYS 278 HG3 0.06 0.11 -0.52 -0.04 1.46 1.07 2z1mB1 LYS 278 HD2 0.02 -0.01 -0.03 -0.04 1.69 1.64 2z1mB1 LYS 278 HD3 0.02 -0.02 -0.01 -0.04 1.68 1.63 2z1mB1 LYS 278 HE2 0.02 -0.03 -0.02 -0.04 2.99 2.91 2z1mB1 LYS 278 HE3 0.03 -0.07 0.01 -0.04 2.99 2.92 2z1mB1 GLY 279 H 0.06 0.60 0.30 -0.55 8.43 8.83 2z1mB1 GLY 279 HA2 -0.61 0.27 0.95 -0.51 4.01 4.11 2z1mB1 GLY 279 HA3 -0.72 -0.07 0.30 -0.51 4.01 3.00 2z1mB1 ILE 280 H -0.32 0.77 0.30 -0.55 8.25 8.45 2z1mB1 ILE 280 HA -0.15 0.25 1.02 -0.75 4.18 4.55 2z1mB1 ILE 280 HB -0.10 -0.03 0.06 -0.04 1.89 1.78 2z1mB1 ILE 280 HG12 -0.06 0.01 -0.20 -0.04 1.49 1.19 2z1mB1 ILE 280 HG13 -0.08 -0.03 -0.23 -0.04 1.21 0.84 2z1mB1 ILE 280 HG23 -0.06 0.02 -0.32 -0.04 0.93 0.52 2z1mB1 ILE 280 HD13 -0.02 0.01 -0.07 -0.04 0.88 0.75 2z1mB1 ASP 281 H -0.14 0.69 0.22 -0.55 8.40 8.62 2z1mB1 ASP 281 HA -0.08 -0.00 0.38 -0.75 4.63 4.18 2z1mB1 ASP 281 HB2 -0.06 0.11 0.11 -0.04 2.71 2.83 2z1mB1 ASP 281 HB3 0.00 -0.09 0.22 -0.04 2.70 2.79 2z1mB1 ARG 282 H -0.05 0.75 0.41 -0.55 8.46 9.02 2z1mB1 ARG 282 HA -0.03 0.11 0.54 -0.75 4.34 4.21 2z1mB1 ARG 282 HB2 -0.03 -0.03 0.20 -0.04 1.90 2.00 2z1mB1 ARG 282 HB3 -0.02 0.01 0.05 -0.04 1.80 1.79 2z1mB1 ARG 282 HG2 -0.04 -0.02 0.06 -0.04 1.67 1.63 2z1mB1 ARG 282 HG3 -0.07 0.10 0.10 -0.04 1.67 1.77 2z1mB1 ARG 282 HD2 -0.02 -0.01 -0.04 -0.04 3.22 3.10 2z1mB1 ARG 282 HD3 -0.02 -0.01 -0.00 -0.04 3.22 3.15 2z1mB1 ASN 283 H 0.00 -0.06 -0.04 -0.55 8.53 7.88 2z1mB1 ASN 283 HA -0.01 0.13 0.46 -0.75 4.76 4.58 2z1mB1 ASN 283 HB2 0.01 -0.08 0.11 -0.04 2.88 2.88 2z1mB1 ASN 283 HB3 -0.03 0.09 0.02 -0.04 2.79 2.84 2z1mB1 ASN 283 HD21 -0.05 -0.03 -0.12 -0.04 7.03 6.79 2z1mB1 ASN 283 HD22 -0.06 0.43 0.14 -0.04 7.74 8.20 2z1mB1 THR 284 H 0.02 -0.13 -0.22 -0.55 8.28 7.40 2z1mB1 THR 284 HA -0.00 0.30 0.97 -0.75 4.39 4.91 2z1mB1 THR 284 HB 0.01 0.05 0.05 -0.04 4.32 4.40 2z1mB1 THR 284 HG23 0.02 0.02 -0.11 -0.04 1.22 1.11 2z1mB1 GLY 285 H -0.01 0.35 0.03 -0.55 8.43 8.25 2z1mB1 GLY 285 HA2 -0.03 0.07 0.29 -0.51 4.01 3.84 2z1mB1 GLY 285 HA3 -0.02 0.14 0.67 -0.51 4.01 4.29 2z1mB1 LYS 286 H -0.01 -0.05 -0.17 -0.55 8.42 7.63 2z1mB1 LYS 286 HA -0.03 0.10 0.45 -0.75 4.32 4.09 2z1mB1 LYS 286 HB2 -0.01 -0.11 0.09 -0.04 1.87 1.80 2z1mB1 LYS 286 HB3 -0.07 0.05 -0.15 -0.04 1.79 1.58 2z1mB1 LYS 286 HG2 -0.00 0.02 -0.05 -0.04 1.46 1.38 2z1mB1 LYS 286 HG3 0.01 0.06 -0.01 -0.04 1.46 1.48 2z1mB1 LYS 286 HD2 -0.02 -0.06 0.03 -0.04 1.69 1.60 2z1mB1 LYS 286 HD3 -0.01 0.01 0.00 -0.04 1.68 1.65 2z1mB1 LYS 286 HE2 -0.02 0.06 0.03 -0.04 2.99 3.02 2z1mB1 LYS 286 HE3 -0.07 -0.11 -0.19 -0.04 2.99 2.58 2z1mB1 VAL 287 H -0.04 0.19 0.18 -0.55 8.24 8.01 2z1mB1 VAL 287 HA -0.09 0.13 0.85 -0.75 4.13 4.26 2z1mB1 VAL 287 HB -0.03 -0.01 0.20 -0.04 2.12 2.24 2z1mB1 VAL 287 HG13 -0.02 -0.02 -0.10 -0.04 0.97 0.79 2z1mB1 VAL 287 HG23 -0.03 0.01 0.02 -0.04 0.95 0.92 2z1mB1 ILE 288 H -0.17 0.47 0.36 -0.55 8.25 8.35 2z1mB1 ILE 288 HA -0.12 0.36 0.89 -0.75 4.18 4.55 2z1mB1 ILE 288 HB -0.37 -0.02 0.06 -0.04 1.89 1.52 2z1mB1 ILE 288 HG12 -0.36 -0.02 -0.01 -0.04 1.49 1.05 2z1mB1 ILE 288 HG13 -0.32 -0.01 -0.13 -0.04 1.21 0.70 2z1mB1 ILE 288 HG23 -0.32 0.05 -0.18 -0.04 0.93 0.44 2z1mB1 ILE 288 HD13 -0.98 -0.02 -0.10 -0.04 0.88 -0.27 2z1mB1 VAL 289 H -0.09 0.33 0.23 -0.55 8.24 8.17 2z1mB1 VAL 289 HA 0.03 0.29 1.05 -0.75 4.13 4.75 2z1mB1 VAL 289 HB 0.12 -0.15 0.10 -0.04 2.12 2.16 2z1mB1 VAL 289 HG13 0.32 0.02 -0.11 -0.04 0.97 1.15 2z1mB1 VAL 289 HG23 0.00 -0.00 -0.18 -0.04 0.95 0.73 2z1mB1 GLU 290 H 0.09 0.71 0.36 -0.55 8.60 9.21 2z1mB1 GLU 290 HA 0.10 0.23 0.85 -0.75 4.29 4.73 2z1mB1 GLU 290 HB2 0.07 -0.07 -0.08 -0.04 2.09 1.97 2z1mB1 GLU 290 HB3 0.06 0.06 0.03 -0.04 1.99 2.10 2z1mB1 GLU 290 HG2 0.04 0.08 -0.07 -0.04 2.34 2.34 2z1mB1 GLU 290 HG3 0.03 -0.09 -0.62 -0.04 2.34 1.62 2z1mB1 VAL 291 H 0.07 0.35 0.16 -0.55 8.24 8.27 2z1mB1 VAL 291 HA 0.14 0.24 0.98 -0.75 4.13 4.74 2z1mB1 VAL 291 HB 0.00 0.15 0.06 -0.04 2.12 2.30 2z1mB1 VAL 291 HG13 0.08 -0.04 -0.31 -0.04 0.97 0.67 2z1mB1 VAL 291 HG23 0.10 0.05 -0.16 -0.04 0.95 0.89 2z1mB1 SER 292 H 0.25 0.64 0.29 -0.55 8.46 9.09 2z1mB1 SER 292 HA 0.07 0.23 0.85 -0.75 4.49 4.89 2z1mB1 SER 292 HB2 0.23 0.08 -0.06 -0.04 3.95 4.17 2z1mB1 SER 292 HB3 0.37 -0.09 0.01 -0.04 3.93 4.18 2z1mB1 GLU 293 H 0.00 0.22 0.18 -0.55 8.60 8.47 2z1mB1 GLU 293 HA 0.09 0.10 0.54 -0.75 4.29 4.26 2z1mB1 GLU 294 H -0.13 0.04 -0.11 -0.55 8.60 7.84 2z1mB1 GLU 294 HA -0.17 0.11 0.42 -0.75 4.29 3.90 2z1mB1 GLU 294 HB2 -0.32 0.03 0.07 -0.04 2.09 1.83 2z1mB1 GLU 294 HB3 -0.71 -0.08 0.03 -0.04 1.99 1.19 2z1mB1 GLU 294 HG2 -1.59 -0.01 -0.27 -0.04 2.34 0.43 2z1mB1 GLU 294 HG3 -0.41 0.03 -0.05 -0.04 2.34 1.87 2z1mB1 PHE 295 H -0.09 0.04 -0.33 -0.55 8.34 7.41 2z1mB1 PHE 295 HA 0.04 0.18 0.57 -0.75 4.62 4.66 2z1mB1 PHE 295 HB2 0.09 0.08 -0.39 -0.04 3.15 2.89 2z1mB1 PHE 295 HB3 0.06 -0.09 0.00 -0.04 3.06 3.00 2z1mB1 PHE 295 HD2 0.04 0.02 -0.17 -0.04 7.28 7.12 2z1mB1 PHE 295 HE2 0.01 0.00 -0.09 -0.04 7.38 7.27 2z1mB1 PHE 295 HZ 0.01 0.03 -0.04 -0.04 7.32 7.27 2z1mB1 PHE 296 H 0.26 0.41 -0.11 -0.55 8.34 8.34 2z1mB1 PHE 296 HA 0.08 -0.31 0.48 -0.75 4.62 4.11 2z1mB1 PHE 296 HB2 0.07 0.07 -0.01 -0.04 3.15 3.23 2z1mB1 PHE 296 HB3 0.03 0.05 0.11 -0.04 3.06 3.21 2z1mB1 PHE 296 HD2 0.03 0.01 -0.16 -0.04 7.28 7.11 2z1mB1 PHE 296 HE2 0.01 -0.03 -0.08 -0.04 7.38 7.24 2z1mB1 PHE 296 HZ 0.01 0.01 -0.05 -0.04 7.32 7.25 2z1mB1 ARG 297 H -0.46 0.05 0.29 -0.55 8.46 7.79 2z1mB1 ARG 297 HA -0.29 0.24 0.76 -0.75 4.34 4.29 2z1mB1 PRO 298 HA -0.33 0.04 0.28 -0.51 4.44 3.92 2z1mB1 PRO 298 HB2 -0.03 0.07 0.08 -0.04 2.28 2.36 2z1mB1 PRO 298 HB3 0.02 0.00 0.06 -0.04 2.02 2.06 2z1mB1 PRO 298 HG2 -0.06 0.07 0.07 -0.04 2.03 2.07 2z1mB1 PRO 298 HG3 -0.01 0.06 0.06 -0.04 2.03 2.11 2z1mB1 PRO 298 HD2 -0.15 0.14 0.19 -0.04 3.68 3.83 2z1mB1 PRO 298 HD3 -0.17 0.16 0.08 -0.04 3.65 3.68 2z1mB1 ASP 302 HA -0.01 0.00 0.18 -0.75 4.63 4.04 2z1mB1 ASP 302 HB2 -0.01 -0.05 0.14 -0.04 2.71 2.75 2z1mB1 ASP 302 HB3 0.01 0.02 0.12 -0.04 2.70 2.80 2z1mB1 ILE 303 H -0.02 0.19 0.05 -0.55 8.25 7.92 2z1mB1 ILE 303 HA -0.03 0.10 0.73 -0.75 4.18 4.23 2z1mB1 ILE 303 HB -0.03 0.02 0.13 -0.04 1.89 1.96 2z1mB1 ILE 303 HG12 -0.04 -0.03 -0.02 -0.04 1.49 1.35 2z1mB1 ILE 303 HG13 -0.03 0.06 -0.04 -0.04 1.21 1.16 2z1mB1 ILE 303 HG23 -0.05 -0.03 -0.25 -0.04 0.93 0.56 2z1mB1 ILE 303 HD13 -0.04 0.00 -0.02 -0.04 0.88 0.79 2z1mB1 LEU 304 H 0.00 0.26 0.12 -0.55 8.37 8.21 2z1mB1 LEU 304 HA 0.13 0.15 0.74 -0.75 4.35 4.61 2z1mB1 LEU 304 HB2 0.04 0.04 0.22 -0.04 1.64 1.90 2z1mB1 LEU 304 HB3 0.19 -0.14 0.04 -0.04 1.64 1.69 2z1mB1 LEU 304 HG 0.08 0.16 -0.05 -0.04 1.64 1.79 2z1mB1 LEU 304 HD13 0.02 -0.04 -0.06 -0.04 0.93 0.80 2z1mB1 LEU 304 HD23 0.16 -0.00 -0.02 -0.04 0.89 0.98 2z1mB1 VAL 305 H 0.10 0.35 0.13 -0.55 8.24 8.27 2z1mB1 VAL 305 HA -0.07 -0.03 0.58 -0.75 4.13 3.86 2z1mB1 VAL 305 HB -0.07 0.05 -0.31 -0.04 2.12 1.75 2z1mB1 VAL 305 HG13 -0.07 0.03 -0.11 -0.04 0.97 0.77 2z1mB1 VAL 305 HG23 -0.12 0.02 -0.34 -0.04 0.95 0.46 2z1mB1 GLY 306 H -0.79 -0.00 0.12 -0.55 8.43 7.21 2z1mB1 GLY 306 HA2 -0.62 0.26 0.58 -0.51 4.01 3.72 2z1mB1 GLY 306 HA3 -1.20 -0.03 0.20 -0.51 4.01 2.48 2z1mB1 ASN 307 H -0.18 0.75 0.22 -0.55 8.53 8.77 2z1mB1 ASN 307 HA -0.08 0.24 0.81 -0.75 4.76 4.98 2z1mB1 ASN 307 HB2 -0.08 0.07 -0.03 -0.04 2.88 2.79 2z1mB1 ASN 307 HB3 -0.07 -0.02 0.06 -0.04 2.79 2.72 2z1mB1 ASN 307 HD21 -0.02 0.03 -0.01 -0.04 7.03 6.99 2z1mB1 ASN 307 HD22 -0.04 0.05 -0.04 -0.04 7.74 7.67 2z1mB1 PRO 308 HA 0.06 0.15 0.61 -0.51 4.44 4.76 2z1mB1 PRO 308 HB2 0.29 0.07 0.17 -0.04 2.28 2.78 2z1mB1 PRO 308 HB3 0.13 -0.11 -0.04 -0.04 2.02 1.96 2z1mB1 PRO 308 HG2 0.11 0.11 -0.10 -0.04 2.03 2.11 2z1mB1 PRO 308 HG3 0.12 0.16 -0.32 -0.04 2.03 1.96 2z1mB1 PRO 308 HD2 0.00 0.16 0.00 -0.04 3.68 3.80 2z1mB1 PRO 308 HD3 -0.05 0.24 -0.33 -0.04 3.65 3.47 2z1mB1 GLU 309 H 0.03 0.16 -0.43 -0.55 8.60 7.82 2z1mB1 GLU 309 HA 0.06 0.14 0.39 -0.75 4.29 4.12 2z1mB1 GLU 309 HB2 0.03 0.05 0.07 -0.04 2.09 2.20 2z1mB1 GLU 309 HB3 0.02 0.04 0.07 -0.04 1.99 2.08 2z1mB1 GLU 309 HG2 0.01 -0.03 0.02 -0.04 2.34 2.30 2z1mB1 GLU 309 HG3 0.02 0.00 -0.03 -0.04 2.34 2.30 2z1mB1 LYS 310 H 0.07 0.10 -0.11 -0.55 8.42 7.94 2z1mB1 LYS 310 HA 0.09 0.11 0.41 -0.75 4.32 4.18 2z1mB1 LYS 310 HB2 0.05 -0.01 0.14 -0.04 1.87 2.01 2z1mB1 LYS 310 HB3 0.12 -0.07 0.15 -0.04 1.79 1.95 2z1mB1 LYS 310 HG2 0.21 0.04 -0.14 -0.04 1.46 1.53 2z1mB1 LYS 310 HG3 0.05 0.03 0.06 -0.04 1.46 1.57 2z1mB1 LYS 310 HD2 -0.07 -0.03 0.05 -0.04 1.69 1.60 2z1mB1 LYS 310 HD3 -0.11 -0.09 0.10 -0.04 1.68 1.54 2z1mB1 LYS 310 HE2 -0.79 0.02 -0.04 -0.04 2.99 2.14 2z1mB1 LYS 310 HE3 -0.18 0.01 0.00 -0.04 2.99 2.79 2z1mB1 ALA 311 H 0.19 0.10 -0.15 -0.55 8.40 7.99 2z1mB1 ALA 311 HA 0.01 0.07 0.46 -0.75 4.34 4.12 2z1mB1 ALA 311 HB3 0.10 0.05 0.08 -0.04 1.41 1.59 2z1mB1 MET 312 H 0.15 0.27 -0.22 -0.55 8.47 8.11 2z1mB1 MET 312 HA 0.12 0.09 0.51 -0.75 4.52 4.48 2z1mB1 MET 312 HB2 0.08 0.05 0.11 -0.04 2.15 2.35 2z1mB1 MET 312 HB3 0.06 0.01 0.20 -0.04 2.03 2.26 2z1mB1 MET 312 HG2 0.01 -0.06 -0.05 -0.04 2.63 2.49 2z1mB1 MET 312 HG3 0.03 0.01 -0.24 -0.04 2.56 2.32 2z1mB1 MET 312 HE3 0.00 0.02 -0.08 -0.04 2.10 2.00 2z1mB1 LYS 313 H 0.08 0.63 0.10 -0.55 8.42 8.67 2z1mB1 LYS 313 HA 0.04 0.02 0.38 -0.75 4.32 4.01 2z1mB1 LYS 313 HB2 0.05 -0.06 0.11 -0.04 1.87 1.93 2z1mB1 LYS 313 HB3 0.07 0.00 0.20 -0.04 1.79 2.02 2z1mB1 LYS 313 HG2 0.05 0.08 -0.24 -0.04 1.46 1.31 2z1mB1 LYS 313 HG3 0.04 -0.03 0.01 -0.04 1.46 1.44 2z1mB1 LYS 313 HD2 0.03 -0.00 -0.03 -0.04 1.69 1.65 2z1mB1 LYS 313 HD3 0.03 -0.06 -0.02 -0.04 1.68 1.59 2z1mB1 LYS 313 HE2 0.07 -0.03 0.06 -0.04 2.99 3.04 2z1mB1 LYS 313 HE3 0.06 0.07 -0.03 -0.04 2.99 3.05 2z1mB1 LYS 314 H 0.11 0.56 -0.10 -0.55 8.42 8.44 2z1mB1 LYS 314 HA 0.07 0.14 0.58 -0.75 4.32 4.35 2z1mB1 LYS 314 HB2 0.31 0.06 0.09 -0.04 1.87 2.29 2z1mB1 LYS 314 HB3 0.18 0.03 -0.02 -0.04 1.79 1.94 2z1mB1 LYS 314 HG2 0.09 0.03 -0.02 -0.04 1.46 1.52 2z1mB1 LYS 314 HG3 0.10 -0.10 -0.07 -0.04 1.46 1.36 2z1mB1 LYS 314 HD2 0.16 -0.07 -0.02 -0.04 1.69 1.72 2z1mB1 LYS 314 HD3 0.15 0.05 -0.04 -0.04 1.68 1.80 2z1mB1 LYS 314 HE2 0.03 0.04 -0.02 -0.04 2.99 3.00 2z1mB1 LYS 314 HE3 0.04 -0.03 -0.02 -0.04 2.99 2.94 2z1mB1 LEU 315 H 0.02 0.32 -0.02 -0.55 8.37 8.15 2z1mB1 LEU 315 HA -0.03 0.24 0.81 -0.75 4.35 4.62 2z1mB1 LEU 315 HB2 -0.01 0.03 0.09 -0.04 1.64 1.71 2z1mB1 LEU 315 HB3 -0.05 -0.03 -0.00 -0.04 1.64 1.51 2z1mB1 LEU 315 HG -0.59 -0.08 -0.04 -0.04 1.64 0.88 2z1mB1 LEU 315 HD13 -0.58 -0.04 -0.06 -0.04 0.93 0.20 2z1mB1 LEU 315 HD23 -0.31 0.04 -0.28 -0.04 0.89 0.31 2z1mB1 GLY 316 H 0.06 0.36 -0.05 -0.55 8.43 8.25 2z1mB1 GLY 316 HA2 0.05 0.11 0.35 -0.51 4.01 4.00 2z1mB1 GLY 316 HA3 0.05 0.03 0.53 -0.51 4.01 4.11 2z1mB1 TRP 317 H 0.21 0.31 -0.13 -0.55 7.97 7.81 2z1mB1 TRP 317 HA -0.02 0.16 0.74 -0.75 4.62 4.75 2z1mB1 TRP 317 HB2 -0.07 0.08 -0.11 -0.04 3.23 3.09 2z1mB1 TRP 317 HB3 -0.09 -0.07 -0.09 -0.04 3.23 2.94 2z1mB1 TRP 317 HD1 -0.01 0.06 -0.15 -0.04 7.22 7.08 2z1mB1 TRP 317 HE1 -0.04 0.44 0.05 -0.04 10.20 10.60 2z1mB1 TRP 317 HE3 -0.08 0.02 -0.34 -0.04 7.59 7.16 2z1mB1 TRP 317 HZ2 -0.31 -0.12 -0.34 -0.04 7.44 6.62 2z1mB1 TRP 317 HZ3 -0.12 0.06 0.03 -0.04 7.13 7.05 2z1mB1 TRP 317 HH2 -0.39 -0.08 -0.19 -0.04 7.19 6.49 2z1mB1 LYS 318 H -0.87 0.31 0.12 -0.55 8.42 7.42 2z1mB1 LYS 318 HA -0.82 0.08 0.36 -0.75 4.32 3.18 2z1mB1 LYS 318 HB2 -0.25 0.02 0.08 -0.04 1.87 1.68 2z1mB1 LYS 318 HB3 -0.17 0.07 -0.10 -0.04 1.79 1.54 2z1mB1 LYS 318 HG2 -0.22 0.01 -0.16 -0.04 1.46 1.05 2z1mB1 LYS 318 HG3 -0.26 0.07 -0.23 -0.04 1.46 1.00 2z1mB1 LYS 318 HD2 -0.10 -0.02 -0.06 -0.04 1.69 1.47 2z1mB1 LYS 318 HD3 -0.08 0.00 -0.12 -0.04 1.68 1.44 2z1mB1 LYS 318 HE2 -0.08 0.01 -0.07 -0.04 2.99 2.81 2z1mB1 LYS 318 HE3 -0.09 0.02 -0.05 -0.04 2.99 2.82 2z1mB1 PRO 319 HA -0.36 -0.05 0.52 -0.51 4.44 4.04 2z1mB1 PRO 319 HB2 -0.03 0.07 -0.03 -0.04 2.28 2.25 2z1mB1 PRO 319 HB3 0.09 -0.09 0.08 -0.04 2.02 2.06 2z1mB1 PRO 319 HG2 0.02 0.05 0.18 -0.04 2.03 2.24 2z1mB1 PRO 319 HG3 0.04 0.01 0.01 -0.04 2.03 2.06 2z1mB1 PRO 319 HD2 -0.22 0.14 0.20 -0.04 3.68 3.76 2z1mB1 PRO 319 HD3 -0.43 0.16 0.19 -0.04 3.65 3.52 2z1mB1 ARG 320 H -0.06 -0.08 0.22 -0.55 8.46 7.99 2z1mB1 ARG 320 HA -0.08 0.25 0.85 -0.75 4.34 4.61 2z1mB1 ARG 320 HB2 -0.02 -0.11 0.14 -0.04 1.90 1.87 2z1mB1 ARG 320 HB3 -0.04 0.01 0.03 -0.04 1.80 1.76 2z1mB1 ARG 320 HG2 -0.13 0.09 -0.11 -0.04 1.67 1.48 2z1mB1 ARG 320 HG3 -0.19 0.09 -0.08 -0.04 1.67 1.45 2z1mB1 ARG 320 HD2 -0.05 -0.01 -0.01 -0.04 3.22 3.11 2z1mB1 ARG 320 HD3 -0.08 0.08 -0.01 -0.04 3.22 3.17 2z1mB1 THR 321 H 0.05 -0.04 0.17 -0.55 8.28 7.92 2z1mB1 THR 321 HA -0.05 0.08 0.53 -0.75 4.39 4.20 2z1mB1 THR 321 HB 0.03 -0.10 0.14 -0.04 4.32 4.36 2z1mB1 THR 321 HG23 -0.33 0.05 -0.08 -0.04 1.22 0.82 2z1mB1 THR 322 H -0.02 0.11 0.19 -0.55 8.28 8.01 2z1mB1 THR 322 HA 0.09 0.25 0.62 -0.75 4.39 4.60 2z1mB1 THR 322 HB 0.09 -0.07 0.17 -0.04 4.32 4.46 2z1mB1 THR 322 HG23 0.02 0.08 0.04 -0.04 1.22 1.32 2z1mB1 PHE 323 H 0.25 0.24 0.14 -0.55 8.34 8.42 2z1mB1 PHE 323 HA 0.03 0.11 0.45 -0.75 4.62 4.46 2z1mB1 PHE 323 HB2 0.07 0.10 0.12 -0.04 3.15 3.39 2z1mB1 PHE 323 HB3 -0.14 -0.01 0.11 -0.04 3.06 2.98 2z1mB1 PHE 323 HD2 -0.13 0.05 -0.05 -0.04 7.28 7.11 2z1mB1 PHE 323 HE2 0.13 -0.00 -0.13 -0.04 7.38 7.34 2z1mB1 PHE 323 HZ 0.20 -0.03 -0.07 -0.04 7.32 7.38 2z1mB1 ASP 324 H 0.05 0.13 -0.06 -0.55 8.40 7.97 2z1mB1 ASP 324 HA -0.29 0.10 0.40 -0.75 4.63 4.09 2z1mB1 ASP 324 HB2 -0.02 -0.04 0.09 -0.04 2.71 2.70 2z1mB1 ASP 324 HB3 -0.07 0.10 -0.03 -0.04 2.70 2.65 2z1mB1 GLU 325 H -0.09 0.02 -0.33 -0.55 8.60 7.66 2z1mB1 GLU 325 HA -0.13 0.12 0.42 -0.75 4.29 3.94 2z1mB1 GLU 325 HB2 -0.11 0.05 0.09 -0.04 2.09 2.07 2z1mB1 GLU 325 HB3 -0.16 0.05 -0.03 -0.04 1.99 1.81 2z1mB1 GLU 325 HG2 -0.08 0.09 0.03 -0.04 2.34 2.34 2z1mB1 GLU 325 HG3 -0.06 -0.07 0.05 -0.04 2.34 2.22 2z1mB1 LEU 326 H -0.16 0.63 -0.16 -0.55 8.37 8.14 2z1mB1 LEU 326 HA -0.23 -0.00 0.37 -0.75 4.35 3.73 2z1mB1 LEU 326 HB2 0.01 0.00 -0.06 -0.04 1.64 1.55 2z1mB1 LEU 326 HB3 -0.14 0.12 0.10 -0.04 1.64 1.69 2z1mB1 LEU 326 HG -0.04 -0.00 -0.47 -0.04 1.64 1.09 2z1mB1 LEU 326 HD13 0.19 -0.06 -0.15 -0.04 0.93 0.87 2z1mB1 LEU 326 HD23 0.24 -0.02 -0.24 -0.04 0.89 0.83 2z1mB1 VAL 327 H -0.49 0.60 -0.19 -0.55 8.24 7.62 2z1mB1 VAL 327 HA -0.47 -0.03 0.34 -0.75 4.13 3.22 2z1mB1 VAL 327 HB -0.57 0.13 0.07 -0.04 2.12 1.72 2z1mB1 VAL 327 HG13 -0.61 -0.01 -0.21 -0.04 0.97 0.10 2z1mB1 VAL 327 HG23 -1.50 0.03 -0.00 -0.04 0.95 -0.57 2z1mB1 GLU 328 H -0.24 0.51 -0.15 -0.55 8.60 8.17 2z1mB1 GLU 328 HA -0.13 0.03 0.44 -0.75 4.29 3.88 2z1mB1 GLU 328 HB2 -0.13 0.07 0.13 -0.04 2.09 2.12 2z1mB1 GLU 328 HB3 -0.13 0.07 0.16 -0.04 1.99 2.05 2z1mB1 GLU 328 HG2 -0.07 -0.01 -0.11 -0.04 2.34 2.10 2z1mB1 GLU 328 HG3 -0.08 0.01 0.06 -0.04 2.34 2.29 2z1mB1 ILE 329 H -0.15 0.65 -0.14 -0.55 8.25 8.07 2z1mB1 ILE 329 HA -0.05 0.03 0.37 -0.75 4.18 3.79 2z1mB1 ILE 329 HB -0.14 0.12 0.18 -0.04 1.89 2.00 2z1mB1 ILE 329 HG12 -0.10 0.00 0.03 -0.04 1.49 1.39 2z1mB1 ILE 329 HG13 -0.16 0.07 0.04 -0.04 1.21 1.12 2z1mB1 ILE 329 HG23 0.07 -0.03 -0.13 -0.04 0.93 0.80 2z1mB1 ILE 329 HD13 -0.52 -0.04 -0.08 -0.04 0.88 0.21 2z1mB1 MET 330 H -0.06 0.47 -0.20 -0.55 8.47 8.14 2z1mB1 MET 330 HA 0.08 -0.01 0.42 -0.75 4.52 4.26 2z1mB1 MET 330 HB2 -0.00 0.12 0.10 -0.04 2.15 2.33 2z1mB1 MET 330 HB3 0.10 -0.04 -0.08 -0.04 2.03 1.97 2z1mB1 MET 330 HG2 0.12 -0.10 -0.37 -0.04 2.63 2.24 2z1mB1 MET 330 HG3 0.07 0.16 -0.10 -0.04 2.56 2.65 2z1mB1 MET 330 HE3 0.11 0.03 -0.19 -0.04 2.10 2.00 2z1mB1 MET 331 H -0.07 0.70 -0.01 -0.55 8.47 8.55 2z1mB1 MET 331 HA 0.01 -0.01 0.49 -0.75 4.52 4.26 2z1mB1 MET 331 HB2 -0.09 0.11 0.20 -0.04 2.15 2.33 2z1mB1 MET 331 HB3 -0.04 0.04 -0.04 -0.04 2.03 1.95 2z1mB1 MET 331 HG2 -0.08 -0.08 0.06 -0.04 2.63 2.49 2z1mB1 MET 331 HG3 -0.07 0.12 0.12 -0.04 2.56 2.69 2z1mB1 MET 331 HE3 0.01 0.05 -0.10 -0.04 2.10 2.02 2z1mB1 GLU 332 H -0.03 0.73 0.01 -0.55 8.60 8.77 2z1mB1 GLU 332 HA -0.00 0.05 0.42 -0.75 4.29 4.00 2z1mB1 GLU 332 HB2 -0.01 0.04 0.09 -0.04 2.09 2.16 2z1mB1 GLU 332 HB3 -0.00 -0.02 0.06 -0.04 1.99 1.98 2z1mB1 GLU 332 HG2 -0.04 0.16 0.15 -0.04 2.34 2.56 2z1mB1 GLU 332 HG3 -0.03 -0.06 -0.00 -0.04 2.34 2.20 2z1mB1 ALA 333 H 0.03 0.34 -0.31 -0.55 8.40 7.92 2z1mB1 ALA 333 HA 0.05 0.06 0.52 -0.75 4.34 4.22 2z1mB1 ALA 333 HB3 0.10 0.03 0.14 -0.04 1.41 1.63 2z1mB1 ASP 334 H 0.06 0.48 -0.04 -0.55 8.40 8.36 2z1mB1 ASP 334 HA 0.09 0.02 0.62 -0.75 4.63 4.60 2z1mB1 ASP 334 HB2 0.07 0.11 0.05 -0.04 2.71 2.90 2z1mB1 ASP 334 HB3 0.01 0.02 -0.09 -0.04 2.70 2.60 2z1mB1 LEU 335 H 0.02 0.72 -0.02 -0.55 8.37 8.55 2z1mB1 LEU 335 HA 0.07 0.02 0.51 -0.75 4.35 4.20 2z1mB1 LEU 335 HB2 0.02 0.07 0.15 -0.04 1.64 1.84 2z1mB1 LEU 335 HB3 0.07 0.00 0.01 -0.04 1.64 1.68 2z1mB1 LEU 335 HG 0.01 0.01 0.03 -0.04 1.64 1.65 2z1mB1 LEU 335 HD13 -0.03 -0.02 -0.18 -0.04 0.93 0.66 2z1mB1 LEU 335 HD23 0.01 -0.01 0.05 -0.04 0.89 0.89 2z1mB1 LYS 336 H 0.03 0.40 -0.29 -0.55 8.42 8.00 2z1mB1 LYS 336 HA -0.00 0.03 0.46 -0.75 4.32 4.05 2z1mB1 LYS 336 HB2 0.02 0.00 0.12 -0.04 1.87 1.97 2z1mB1 LYS 336 HB3 0.03 0.14 0.24 -0.04 1.79 2.15 2z1mB1 LYS 336 HG2 0.02 0.00 -0.24 -0.04 1.46 1.20 2z1mB1 LYS 336 HG3 0.01 -0.04 0.00 -0.04 1.46 1.39 2z1mB1 LYS 336 HD2 0.02 -0.02 0.01 -0.04 1.69 1.65 2z1mB1 LYS 336 HD3 0.03 0.01 0.03 -0.04 1.68 1.71 2z1mB1 LYS 336 HE2 0.04 -0.00 -0.02 -0.04 2.99 2.96 2z1mB1 LYS 336 HE3 0.02 -0.01 -0.02 -0.04 2.99 2.94 2z1mB1 ARG 337 H 0.03 0.57 0.02 -0.55 8.46 8.53 2z1mB1 ARG 337 HA 0.02 0.02 0.49 -0.75 4.34 4.11 2z1mB1 ARG 337 HB2 0.08 0.02 0.23 -0.04 1.90 2.19 2z1mB1 ARG 337 HB3 0.11 -0.04 -0.02 -0.04 1.80 1.80 2z1mB1 ARG 337 HG2 0.05 -0.04 0.04 -0.04 1.67 1.68 2z1mB1 ARG 337 HG3 0.07 0.08 0.09 -0.04 1.67 1.87 2z1mB1 ARG 337 HD2 0.13 -0.01 -0.12 -0.04 3.22 3.19 2z1mB1 ARG 337 HD3 0.11 -0.05 -0.01 -0.04 3.22 3.23 2z1mB1 VAL 338 H -0.07 0.69 -0.12 -0.55 8.24 8.20 2z1mB1 VAL 338 HA -0.10 -0.02 0.41 -0.75 4.13 3.66 2z1mB1 VAL 338 HB -0.08 0.13 0.07 -0.04 2.12 2.20 2z1mB1 VAL 338 HG13 -0.09 -0.00 -0.23 -0.04 0.97 0.61 2z1mB1 VAL 338 HG23 -0.48 -0.01 -0.00 -0.04 0.95 0.41 2z1mB1 ARG 339 H -0.13 0.51 -0.17 -0.55 8.46 8.12 2z1mB1 ARG 339 HA -0.43 0.01 0.48 -0.75 4.34 3.65 2z1mB1 ARG 339 HB2 -0.09 0.09 0.25 -0.04 1.90 2.11 2z1mB1 ARG 339 HB3 -0.13 -0.04 -0.03 -0.04 1.80 1.56 2z1mB1 ARG 339 HG2 -0.53 -0.03 0.06 -0.04 1.67 1.13 2z1mB1 ARG 339 HG3 -0.14 0.14 0.08 -0.04 1.67 1.71 2z1mB1 ARG 339 HD2 -0.05 -0.03 -0.01 -0.04 3.22 3.09 2z1mB1 ARG 339 HD3 0.07 -0.03 -0.01 -0.04 3.22 3.21 2z1mB1 ASP 340 H -0.07 0.58 -0.09 -0.55 8.40 8.27 2z1mB1 ASP 340 HA -0.05 0.02 0.33 -0.75 4.63 4.17 2z1mB1 ASP 340 HB2 -0.02 0.07 0.15 -0.04 2.71 2.86 2z1mB1 ASP 340 HB3 -0.02 -0.09 0.06 -0.04 2.70 2.62 2z1mB1 ARG 341 H -0.06 0.28 -0.34 -0.55 8.46 7.79 2z1mB1 ARG 341 HA -0.03 0.14 0.80 -0.75 4.34 4.50 2z1mB1 ARG 341 HB2 -0.00 0.06 0.07 -0.04 1.90 1.98 2z1mB1 ARG 341 HB3 -0.00 -0.09 0.02 -0.04 1.80 1.68 2z1mB1 ARG 341 HG2 -0.01 -0.05 -0.03 -0.04 1.67 1.53 2z1mB1 ARG 341 HG3 -0.01 0.01 -0.10 -0.04 1.67 1.53 2z1mB1 ARG 341 HD2 0.05 0.03 -0.10 -0.04 3.22 3.16 2z1mB1 ARG 341 HD3 0.01 -0.07 -0.04 -0.04 3.22 3.08 2z1mB1 GLU 342 H -0.09 0.45 0.08 -0.55 8.60 8.49 2z1mB1 GLU 342 HA -0.03 0.15 0.92 -0.75 4.29 4.56 2z1mB1 GLU 342 HB2 -0.07 0.09 0.05 -0.04 2.09 2.13 2z1mB1 GLU 342 HB3 -0.02 -0.05 0.11 -0.04 1.99 1.99 2z1mB1 GLU 342 HG2 0.00 0.02 -0.18 -0.04 2.34 2.15 2z1mB1 GLU 342 HG3 -0.01 -0.11 -0.28 -0.04 2.34 1.90 2z1mB1 VAL 343 H -0.13 0.32 0.13 -0.55 8.24 8.02 2z1mB1 VAL 343 HA -0.09 0.11 0.98 -0.75 4.13 4.38 2z1mB1 VAL 343 HB -0.32 0.07 0.20 -0.04 2.12 2.03 2z1mB1 VAL 343 HG13 -0.19 0.07 0.02 -0.04 0.97 0.83 2z1mB1 VAL 343 HG23 -0.55 0.02 -0.12 -0.04 0.95 0.26 2z1mB1 SER 344 H -0.05 0.09 0.13 -0.55 8.46 8.09 2z1mB1 SER 344 HA -0.04 0.01 0.51 -0.75 4.49 4.21 2z1mB1 SER 344 HB2 -0.02 -0.04 0.11 -0.04 3.95 3.96 2z1mB1 SER 344 HB3 -0.02 -0.02 0.10 -0.04 3.93 3.95 2z1mB1 VAL 345 H -0.03 0.05 0.07 -0.55 8.24 7.78 2z1mB1 VAL 345 HA -0.03 0.21 0.52 -0.75 4.13 4.07 2z1mB1 VAL 345 HB -0.02 -0.00 0.07 -0.04 2.12 2.12 2z1mB1 VAL 345 HG13 -0.03 0.02 0.02 -0.04 0.97 0.94 2z1mB1 VAL 345 HG23 -0.02 -0.01 0.06 -0.04 0.95 0.94