============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. HIS 10 0.900 35.639 25.195 20.758 -99.200 -91.000 HIS 31 0.900 16.772 26.413 19.357 -99.200 -91.000 HIS 33 0.900 16.222 30.338 15.657 -99.200 -91.000 PHE 36 1.000 13.789 30.476 11.237 -99.200 -91.000 TYR 38 0.840 9.248 29.287 8.527 -99.200 -91.000 TYR 41 0.840 15.268 34.908 4.085 -99.200 -91.000 PHE 50 1.000 17.477 42.872 8.183 -99.200 -91.000 HIS 52 0.900 21.166 47.412 9.747 -99.200 -91.000 PHE 88 1.000 20.321 42.666 12.794 -99.200 -91.000 PHE 106 1.000 23.116 24.381 4.443 -99.200 -91.000 TYR 107 0.840 15.148 24.062 10.976 -99.200 -91.000 TYR 108 0.840 12.504 19.834 9.828 -99.200 -91.000 TYR 116 0.840 25.251 24.294 -2.553 -99.200 -91.000 PHE 117 1.000 26.123 21.467 1.459 -99.200 -91.000 PHE 119 1.000 24.022 19.514 -8.703 -99.200 -91.000 TYR 131 0.840 36.085 17.984 8.449 -99.200 -91.000 TYR 163 0.840 19.741 17.797 3.347 -99.200 -91.000 PHE 167 1.000 23.657 19.121 6.166 -99.200 -91.000 PHE 168 1.000 22.067 14.436 13.384 -99.200 -91.000 HIS 185 0.900 13.834 20.872 14.316 -99.200 -91.000 HIS 213 0.900 13.470 22.466 18.676 -99.200 -91.000 TYR 222 0.840 11.615 11.378 22.935 -99.200 -91.000 HIS 223 0.900 11.010 14.144 27.825 -99.200 -91.000 HIS 229 0.900 22.128 7.338 24.065 -99.200 -91.000 PHE 235 1.000 11.869 19.540 29.194 -99.200 -91.000 TYR 264 0.840 17.224 12.170 34.766 -99.200 -91.000 HIS 272 0.900 12.268 32.200 26.357 -99.200 -91.000 TRP 276 1.040 15.040 37.697 20.003 -99.200 -91.000 TRP6 276 1.020 17.109 38.515 20.825 -99.200 -91.000 HIS 277 0.900 12.744 42.671 12.214 -99.200 -91.000 TRP 278 1.040 8.730 36.017 12.433 -99.200 -91.000 TRP6 278 1.020 8.886 33.795 11.651 -99.200 -91.000 TRP 296 1.040 7.735 31.496 20.303 -99.200 -91.000 TRP6 296 1.020 7.614 32.182 18.034 -99.200 -91.000 HIS 297 0.900 7.491 37.147 26.239 -99.200 -91.000 HIS 300 0.900 6.511 31.859 29.110 -99.200 -91.000 PHE 331 1.000 25.592 26.235 24.858 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2zc1A1 SER 91 HA 0.00 -0.00 0.15 -0.75 4.49 3.89 2zc1A1 SER 91 HB2 0.00 -0.06 0.10 -0.04 3.95 3.95 2zc1A1 SER 91 HB3 0.00 0.04 0.06 -0.04 3.93 3.99 2zc1A1 SER 92 H 0.00 0.05 0.07 -0.55 8.46 8.03 2zc1A1 SER 92 HA 0.00 0.12 0.66 -0.75 4.49 4.52 2zc1A1 SER 92 HB2 -0.00 -0.07 0.09 -0.04 3.95 3.93 2zc1A1 SER 92 HB3 0.00 -0.01 0.06 -0.04 3.93 3.94 2zc1A1 GLY 93 H 0.00 0.03 0.14 -0.55 8.43 8.05 2zc1A1 GLY 93 HA2 0.00 -0.03 0.31 -0.51 4.01 3.78 2zc1A1 GLY 93 HA3 0.00 0.11 0.51 -0.51 4.01 4.13 2zc1A1 LEU 94 H 0.01 0.14 0.10 -0.55 8.37 8.07 2zc1A1 LEU 94 HA 0.00 0.07 0.64 -0.75 4.35 4.30 2zc1A1 LEU 94 HB2 0.01 -0.09 0.11 -0.04 1.64 1.63 2zc1A1 LEU 94 HB3 0.01 0.08 0.14 -0.04 1.64 1.82 2zc1A1 LEU 94 HG 0.01 -0.06 -0.01 -0.04 1.64 1.54 2zc1A1 LEU 94 HD13 0.01 0.01 -0.04 -0.04 0.93 0.86 2zc1A1 LEU 94 HD23 0.01 0.01 -0.06 -0.04 0.89 0.81 2zc1A1 VAL 95 H 0.00 0.13 0.09 -0.55 8.24 7.92 2zc1A1 VAL 95 HA -0.00 0.26 0.84 -0.75 4.13 4.47 2zc1A1 VAL 95 HB 0.00 0.05 0.05 -0.04 2.12 2.19 2zc1A1 VAL 95 HG13 0.00 0.02 -0.25 -0.04 0.97 0.70 2zc1A1 VAL 95 HG23 0.00 -0.01 -0.06 -0.04 0.95 0.85 2zc1A1 PRO 96 HA -0.00 -0.06 0.34 -0.51 4.44 4.20 2zc1A1 PRO 96 HB2 0.01 -0.04 -0.04 -0.04 2.28 2.16 2zc1A1 PRO 96 HB3 0.00 0.07 -0.03 -0.04 2.02 2.02 2zc1A1 PRO 96 HG2 -0.01 0.23 0.09 -0.04 2.03 2.30 2zc1A1 PRO 96 HG3 -0.02 0.17 -0.02 -0.04 2.03 2.13 2zc1A1 PRO 96 HD2 -0.00 0.03 0.19 -0.04 3.68 3.87 2zc1A1 PRO 96 HD3 -0.01 0.19 0.23 -0.04 3.65 4.02 2zc1A1 ARG 97 H 0.00 0.10 0.08 -0.55 8.46 8.09 2zc1A1 ARG 97 HA 0.01 0.05 0.47 -0.75 4.34 4.12 2zc1A1 ARG 97 HB2 0.00 0.00 0.06 -0.04 1.90 1.92 2zc1A1 ARG 97 HB3 0.00 -0.02 0.12 -0.04 1.80 1.86 2zc1A1 ARG 97 HG2 0.00 -0.06 0.13 -0.04 1.67 1.69 2zc1A1 ARG 97 HG3 0.00 0.09 0.14 -0.04 1.67 1.86 2zc1A1 ARG 97 HD2 -0.00 0.05 0.05 -0.04 3.22 3.28 2zc1A1 ARG 97 HD3 0.00 -0.00 0.03 -0.04 3.22 3.21 2zc1A1 GLY 98 H 0.01 0.24 0.17 -0.55 8.43 8.31 2zc1A1 GLY 98 HA2 0.02 0.01 0.23 -0.51 4.01 3.76 2zc1A1 GLY 98 HA3 0.01 -0.06 0.30 -0.51 4.01 3.75 2zc1A1 SER 99 H 0.04 0.08 -0.13 -0.55 8.46 7.90 2zc1A1 SER 99 HA 0.03 0.06 0.63 -0.75 4.49 4.45 2zc1A1 SER 99 HB2 0.01 0.22 -0.16 -0.04 3.95 3.98 2zc1A1 SER 99 HB3 0.00 -0.09 0.02 -0.04 3.93 3.82 2zc1A1 HIS 100 H 0.11 0.17 0.13 -0.55 8.41 8.28 2zc1A1 HIS 100 HA 0.01 0.07 0.76 -0.75 4.63 4.72 2zc1A1 HIS 100 HB2 0.01 0.10 0.00 -0.04 3.26 3.33 2zc1A1 HIS 100 HB3 0.01 0.00 -0.05 -0.04 3.20 3.13 2zc1A1 HIS 100 HD2 0.01 -0.03 0.09 -0.04 6.97 6.99 2zc1A1 HIS 100 HE1 0.02 -0.00 0.02 -0.04 7.75 7.75 2zc1A1 MET 101 H 0.04 0.12 0.18 -0.55 8.47 8.27 2zc1A1 MET 101 HA 0.02 0.18 0.76 -0.75 4.52 4.73 2zc1A1 MET 101 HB2 0.00 -0.02 0.07 -0.04 2.15 2.16 2zc1A1 MET 101 HB3 0.00 -0.06 0.08 -0.04 2.03 2.01 2zc1A1 MET 101 HG2 0.04 0.14 -0.15 -0.04 2.63 2.61 2zc1A1 MET 101 HG3 0.02 -0.05 -0.02 -0.04 2.56 2.46 2zc1A1 MET 101 HE3 0.03 0.00 -0.41 -0.04 2.10 1.69 2zc1A1 THR 102 H -0.14 0.16 0.06 -0.55 8.28 7.82 2zc1A1 THR 102 HA -0.04 0.28 0.71 -0.75 4.39 4.59 2zc1A1 THR 102 HB -0.05 0.08 -0.05 -0.04 4.32 4.26 2zc1A1 THR 102 HG23 -0.02 -0.06 -0.19 -0.04 1.22 0.91 2zc1A1 ALA 103 H -0.03 0.39 0.27 -0.55 8.40 8.48 2zc1A1 ALA 103 HA -0.04 0.25 0.72 -0.75 4.34 4.52 2zc1A1 ALA 103 HB3 0.03 -0.01 -0.02 -0.04 1.41 1.37 2zc1A1 GLN 104 H -0.03 0.26 0.22 -0.55 8.47 8.38 2zc1A1 GLN 104 HA -0.04 0.06 0.82 -0.75 4.36 4.45 2zc1A1 GLN 104 HB2 -0.06 0.05 0.02 -0.04 2.15 2.12 2zc1A1 GLN 104 HB3 0.01 0.00 0.03 -0.04 2.02 2.02 2zc1A1 GLN 104 HG2 0.01 0.09 -0.13 -0.04 2.40 2.33 2zc1A1 GLN 104 HG3 -0.01 0.06 -0.21 -0.04 2.39 2.18 2zc1A1 GLN 104 HE21 -0.01 -0.12 -0.02 -0.04 6.97 6.78 2zc1A1 GLN 104 HE22 -0.01 0.02 -0.03 -0.04 7.69 7.63 2zc1A1 THR 105 H -0.02 0.61 0.11 -0.55 8.28 8.42 2zc1A1 THR 105 HA -0.04 0.17 0.99 -0.75 4.39 4.76 2zc1A1 THR 105 HB -0.04 -0.03 0.10 -0.04 4.32 4.31 2zc1A1 THR 105 HG23 -0.03 0.03 -0.23 -0.04 1.22 0.95 2zc1A1 VAL 106 H -0.04 0.61 0.35 -0.55 8.24 8.61 2zc1A1 VAL 106 HA -0.02 0.11 0.44 -0.75 4.13 3.91 2zc1A1 VAL 106 HB -0.03 -0.04 0.10 -0.04 2.12 2.11 2zc1A1 VAL 106 HG13 -0.05 0.02 -0.03 -0.04 0.97 0.88 2zc1A1 VAL 106 HG23 -0.05 0.02 -0.16 -0.04 0.95 0.71 2zc1A1 THR 107 H -0.02 0.07 -0.40 -0.55 8.28 7.38 2zc1A1 THR 107 HA -0.02 0.19 0.91 -0.75 4.39 4.73 2zc1A1 THR 107 HB -0.02 0.01 0.13 -0.04 4.32 4.40 2zc1A1 THR 107 HG23 -0.02 -0.01 -0.13 -0.04 1.22 1.01 2zc1A1 GLY 108 H -0.02 0.42 -0.21 -0.55 8.43 8.08 2zc1A1 GLY 108 HA2 -0.01 0.04 0.30 -0.51 4.01 3.83 2zc1A1 GLY 108 HA3 -0.01 0.21 0.93 -0.51 4.01 4.63 2zc1A1 ALA 109 H -0.02 0.08 0.16 -0.55 8.40 8.08 2zc1A1 ALA 109 HA -0.03 0.28 0.63 -0.75 4.34 4.47 2zc1A1 ALA 109 HB3 -0.03 -0.01 0.05 -0.04 1.41 1.38 2zc1A1 VAL 110 H -0.03 0.72 0.30 -0.55 8.24 8.68 2zc1A1 VAL 110 HA -0.01 0.06 0.75 -0.75 4.13 4.18 2zc1A1 VAL 110 HB -0.01 -0.01 -0.04 -0.04 2.12 2.02 2zc1A1 VAL 110 HG13 -0.00 0.04 -0.23 -0.04 0.97 0.74 2zc1A1 VAL 110 HG23 -0.01 0.02 -0.29 -0.04 0.95 0.63 2zc1A1 ALA 111 H -0.00 0.11 0.11 -0.55 8.40 8.07 2zc1A1 ALA 111 HA -0.01 0.17 0.54 -0.75 4.34 4.29 2zc1A1 ALA 111 HB3 0.00 0.00 0.11 -0.04 1.41 1.48 2zc1A1 ALA 112 H 0.01 0.31 0.27 -0.55 8.40 8.44 2zc1A1 ALA 112 HA 0.03 0.11 0.40 -0.75 4.34 4.12 2zc1A1 ALA 112 HB3 0.02 0.08 0.16 -0.04 1.41 1.63 2zc1A1 ALA 113 H 0.01 0.06 -0.20 -0.55 8.40 7.72 2zc1A1 ALA 113 HA 0.02 0.11 0.40 -0.75 4.34 4.12 2zc1A1 ALA 113 HB3 0.01 -0.00 0.05 -0.04 1.41 1.43 2zc1A1 GLN 114 H 0.01 0.48 -0.50 -0.55 8.47 7.92 2zc1A1 GLN 114 HA 0.01 0.12 0.67 -0.75 4.36 4.40 2zc1A1 GLN 114 HB2 0.00 0.09 0.05 -0.04 2.15 2.25 2zc1A1 GLN 114 HB3 0.00 0.03 0.07 -0.04 2.02 2.08 2zc1A1 GLN 114 HG2 0.00 -0.11 -0.08 -0.04 2.40 2.16 2zc1A1 GLN 114 HG3 0.00 -0.03 0.02 -0.04 2.39 2.34 2zc1A1 GLN 114 HE21 0.00 -0.01 0.01 -0.04 6.97 6.92 2zc1A1 GLN 114 HE22 0.00 0.03 0.03 -0.04 7.69 7.71 2zc1A1 LEU 115 H 0.02 0.37 -0.27 -0.55 8.37 7.95 2zc1A1 LEU 115 HA 0.01 0.03 0.31 -0.75 4.35 3.95 2zc1A1 LEU 115 HB2 0.05 0.09 0.05 -0.04 1.64 1.78 2zc1A1 LEU 115 HB3 0.05 -0.02 -0.17 -0.04 1.64 1.45 2zc1A1 LEU 115 HG 0.04 0.05 -0.09 -0.04 1.64 1.59 2zc1A1 LEU 115 HD13 0.11 -0.00 -0.21 -0.04 0.93 0.80 2zc1A1 LEU 115 HD23 0.01 -0.02 -0.21 -0.04 0.89 0.63 2zc1A1 GLY 116 H 0.03 0.07 -0.18 -0.55 8.43 7.80 2zc1A1 GLY 116 HA2 0.02 -0.04 0.26 -0.51 4.01 3.74 2zc1A1 GLY 116 HA3 0.02 0.08 0.38 -0.51 4.01 3.98 2zc1A1 ALA 117 H 0.02 0.15 0.23 -0.55 8.40 8.25 2zc1A1 ALA 117 HA 0.03 0.25 0.49 -0.75 4.34 4.35 2zc1A1 ALA 117 HB3 0.02 0.01 0.08 -0.04 1.41 1.47 2zc1A1 THR 118 H 0.05 0.52 0.40 -0.55 8.28 8.70 2zc1A1 THR 118 HA 0.02 0.30 1.02 -0.75 4.39 4.98 2zc1A1 THR 118 HB 0.08 -0.01 -0.00 -0.04 4.32 4.35 2zc1A1 THR 118 HG23 -0.09 -0.06 -0.49 -0.04 1.22 0.54 2zc1A1 LEU 119 H 0.03 0.56 0.30 -0.55 8.37 8.71 2zc1A1 LEU 119 HA 0.07 0.25 0.88 -0.75 4.35 4.79 2zc1A1 LEU 119 HB2 0.12 0.01 0.26 -0.04 1.64 1.98 2zc1A1 LEU 119 HB3 0.16 -0.18 0.11 -0.04 1.64 1.68 2zc1A1 LEU 119 HG 0.11 0.08 -0.07 -0.04 1.64 1.72 2zc1A1 LEU 119 HD13 0.24 -0.00 0.05 -0.04 0.93 1.17 2zc1A1 LEU 119 HD23 0.13 -0.00 0.07 -0.04 0.89 1.05 2zc1A1 PRO 120 HA -0.19 0.11 0.43 -0.51 4.44 4.27 2zc1A1 PRO 120 HB2 0.26 0.01 -0.08 -0.04 2.28 2.44 2zc1A1 PRO 120 HB3 0.29 0.12 -0.04 -0.04 2.02 2.34 2zc1A1 PRO 120 HG2 0.14 -0.10 -0.26 -0.04 2.03 1.77 2zc1A1 PRO 120 HG3 0.15 -0.02 -0.13 -0.04 2.03 1.99 2zc1A1 PRO 120 HD2 0.07 0.22 0.28 -0.04 3.68 4.21 2zc1A1 PRO 120 HD3 0.09 0.38 0.11 -0.04 3.65 4.19 2zc1A1 HIS 121 H 0.11 0.01 -0.44 -0.55 8.41 7.55 2zc1A1 HIS 121 HA -0.08 0.25 0.56 -0.75 4.63 4.61 2zc1A1 HIS 121 HB2 0.06 0.14 -0.29 -0.04 3.26 3.12 2zc1A1 HIS 121 HB3 0.09 -0.14 0.06 -0.04 3.20 3.16 2zc1A1 HIS 121 HD2 0.04 0.06 -0.10 -0.04 6.97 6.92 2zc1A1 HIS 121 HE1 0.50 -0.01 -0.16 -0.04 7.75 8.03 2zc1A1 GLU 122 H -0.24 0.67 0.29 -0.55 8.60 8.78 2zc1A1 GLU 122 HA 0.03 0.02 0.72 -0.75 4.29 4.31 2zc1A1 GLU 122 HB2 -0.12 0.05 -0.13 -0.04 2.09 1.86 2zc1A1 GLU 122 HB3 0.09 -0.01 0.04 -0.04 1.99 2.07 2zc1A1 GLU 122 HG2 0.11 -0.09 -0.47 -0.04 2.34 1.85 2zc1A1 GLU 122 HG3 0.24 0.11 -0.06 -0.04 2.34 2.59 2zc1A1 HIS 123 H -0.22 0.54 0.06 -0.55 8.41 8.24 2zc1A1 HIS 123 HA -0.30 0.03 0.87 -0.75 4.63 4.48 2zc1A1 HIS 123 HB2 -0.28 0.16 0.09 -0.04 3.26 3.19 2zc1A1 HIS 123 HB3 -0.17 0.10 -0.19 -0.04 3.20 2.90 2zc1A1 HIS 123 HD2 -0.02 0.14 -0.35 -0.04 6.97 6.70 2zc1A1 HIS 123 HE1 -0.03 0.15 -0.71 -0.04 7.75 7.11 2zc1A1 VAL 124 H -0.53 0.15 0.05 -0.55 8.24 7.36 2zc1A1 VAL 124 HA -1.53 0.06 0.44 -0.75 4.13 2.34 2zc1A1 VAL 124 HB -0.26 -0.05 0.12 -0.04 2.12 1.89 2zc1A1 VAL 124 HG13 0.04 0.02 -0.11 -0.04 0.97 0.87 2zc1A1 VAL 124 HG23 -0.95 0.02 -0.03 -0.04 0.95 -0.05 2zc1A1 ILE 125 H -0.16 0.13 0.04 -0.55 8.25 7.71 2zc1A1 ILE 125 HA -0.08 0.40 0.90 -0.75 4.18 4.65 2zc1A1 ILE 125 HB -0.15 0.05 0.03 -0.04 1.89 1.78 2zc1A1 ILE 125 HG12 -0.10 -0.15 -0.00 -0.04 1.49 1.19 2zc1A1 ILE 125 HG13 -0.22 0.10 -0.29 -0.04 1.21 0.76 2zc1A1 ILE 125 HG23 -0.04 -0.02 -0.18 -0.04 0.93 0.64 2zc1A1 ILE 125 HD13 -0.42 -0.02 -0.07 -0.04 0.88 0.33 2zc1A1 PHE 126 H -0.20 0.43 0.22 -0.55 8.34 8.24 2zc1A1 PHE 126 HA -0.38 0.25 0.60 -0.75 4.62 4.34 2zc1A1 PHE 126 HB2 -0.52 0.04 -0.33 -0.04 3.15 2.31 2zc1A1 PHE 126 HB3 -0.85 -0.03 -0.12 -0.04 3.06 2.02 2zc1A1 PHE 126 HD2 -0.77 -0.04 -0.26 -0.04 7.28 6.18 2zc1A1 PHE 126 HE2 -0.82 -0.05 -0.15 -0.04 7.38 6.32 2zc1A1 PHE 126 HZ -0.18 -0.07 -0.09 -0.04 7.32 6.94 2zc1A1 GLY 127 H -1.11 0.67 0.03 -0.55 8.43 7.46 2zc1A1 GLY 127 HA2 -0.11 0.19 0.73 -0.51 4.01 4.32 2zc1A1 GLY 127 HA3 -0.94 -0.04 0.19 -0.51 4.01 2.70 2zc1A1 TYR 128 H 0.22 0.18 0.08 -0.55 8.29 8.23 2zc1A1 TYR 128 HA 0.10 0.13 0.59 -0.75 4.56 4.62 2zc1A1 TYR 128 HB2 0.22 -0.04 0.06 -0.04 3.06 3.26 2zc1A1 TYR 128 HB3 0.17 0.12 0.01 -0.04 2.98 3.25 2zc1A1 TYR 128 HD2 0.32 0.03 0.02 -0.04 7.15 7.47 2zc1A1 TYR 128 HE2 0.29 -0.00 -0.04 -0.04 6.85 7.06 2zc1A1 PRO 129 HA 0.05 -0.06 0.48 -0.51 4.44 4.40 2zc1A1 PRO 129 HB2 0.07 0.09 0.06 -0.04 2.28 2.46 2zc1A1 PRO 129 HB3 0.04 -0.10 0.08 -0.04 2.02 1.99 2zc1A1 PRO 129 HG2 0.10 0.02 0.12 -0.04 2.03 2.24 2zc1A1 PRO 129 HG3 0.03 0.27 0.19 -0.04 2.03 2.48 2zc1A1 PRO 129 HD2 0.27 0.22 0.27 -0.04 3.68 4.40 2zc1A1 PRO 129 HD3 0.12 0.13 0.29 -0.04 3.65 4.14 2zc1A1 GLY 130 H -0.10 0.04 0.21 -0.55 8.43 8.03 2zc1A1 GLY 130 HA2 -0.06 -0.03 0.37 -0.51 4.01 3.78 2zc1A1 GLY 130 HA3 0.02 0.30 0.84 -0.51 4.01 4.66 2zc1A1 TYR 131 H 0.14 0.62 0.03 -0.55 8.29 8.53 2zc1A1 TYR 131 HA 0.05 0.09 0.32 -0.75 4.56 4.26 2zc1A1 TYR 131 HB2 0.06 0.07 -0.14 -0.04 3.06 3.01 2zc1A1 TYR 131 HB3 0.08 0.16 0.05 -0.04 2.98 3.22 2zc1A1 TYR 131 HD2 -0.03 0.16 -0.43 -0.04 7.15 6.81 2zc1A1 TYR 131 HE2 -0.14 0.01 -0.16 -0.04 6.85 6.52 2zc1A1 ALA 132 H -0.94 0.01 -0.27 -0.55 8.40 6.65 2zc1A1 ALA 132 HA -0.24 0.15 0.35 -0.75 4.34 3.85 2zc1A1 ALA 132 HB3 -0.47 0.01 0.01 -0.04 1.41 0.92 2zc1A1 GLY 133 H -0.16 0.25 -0.37 -0.55 8.43 7.61 2zc1A1 GLY 133 HA2 -0.06 0.05 0.50 -0.51 4.01 3.99 2zc1A1 GLY 133 HA3 -0.05 0.05 0.32 -0.51 4.01 3.81 2zc1A1 ASP 134 H -0.01 0.42 -0.53 -0.55 8.40 7.73 2zc1A1 ASP 134 HA 0.01 0.09 0.67 -0.75 4.63 4.65 2zc1A1 ASP 134 HB2 0.04 0.01 0.02 -0.04 2.71 2.74 2zc1A1 ASP 134 HB3 0.07 0.13 0.15 -0.04 2.70 3.00 2zc1A1 VAL 135 H 0.00 0.32 -0.58 -0.55 8.24 7.43 2zc1A1 VAL 135 HA 0.06 0.14 0.15 -0.75 4.13 3.72 2zc1A1 VAL 135 HB 0.00 0.17 0.11 -0.04 2.12 2.37 2zc1A1 VAL 135 HG13 0.00 0.00 -0.07 -0.04 0.97 0.87 2zc1A1 VAL 135 HG23 0.04 -0.02 -0.05 -0.04 0.95 0.89 2zc1A1 THR 136 H 0.02 0.10 -0.26 -0.55 8.28 7.59 2zc1A1 THR 136 HA 0.02 0.09 0.41 -0.75 4.39 4.16 2zc1A1 THR 136 HB 0.01 -0.04 0.07 -0.04 4.32 4.33 2zc1A1 THR 136 HG23 0.01 0.01 -0.11 -0.04 1.22 1.09 2zc1A1 LEU 137 H 0.03 0.05 -0.17 -0.55 8.37 7.73 2zc1A1 LEU 137 HA 0.03 0.20 0.79 -0.75 4.35 4.60 2zc1A1 LEU 137 HB2 0.02 -0.01 0.04 -0.04 1.64 1.64 2zc1A1 LEU 137 HB3 0.02 0.02 0.09 -0.04 1.64 1.73 2zc1A1 LEU 137 HG 0.01 -0.09 -0.10 -0.04 1.64 1.42 2zc1A1 LEU 137 HD13 0.01 -0.00 -0.01 -0.04 0.93 0.89 2zc1A1 LEU 137 HD23 0.01 0.04 -0.07 -0.04 0.89 0.83 2zc1A1 GLY 138 H 0.05 0.30 -0.24 -0.55 8.43 7.99 2zc1A1 GLY 138 HA2 0.06 0.22 0.71 -0.51 4.01 4.50 2zc1A1 GLY 138 HA3 0.08 -0.18 0.11 -0.51 4.01 3.51 2zc1A1 PRO 139 HA 0.13 -0.03 0.50 -0.51 4.44 4.53 2zc1A1 PRO 139 HB2 0.08 -0.02 -0.02 -0.04 2.28 2.28 2zc1A1 PRO 139 HB3 0.07 0.14 0.10 -0.04 2.02 2.29 2zc1A1 PRO 139 HG2 0.06 -0.05 -0.10 -0.04 2.03 1.90 2zc1A1 PRO 139 HG3 0.04 0.04 -0.02 -0.04 2.03 2.05 2zc1A1 PRO 139 HD2 0.05 0.19 -0.41 -0.04 3.68 3.48 2zc1A1 PRO 139 HD3 0.05 0.22 -0.49 -0.04 3.65 3.39 2zc1A1 PHE 140 H 0.25 0.08 0.15 -0.55 8.34 8.27 2zc1A1 PHE 140 HA 0.06 0.16 0.57 -0.75 4.62 4.65 2zc1A1 PHE 140 HB2 0.03 0.02 0.09 -0.04 3.15 3.25 2zc1A1 PHE 140 HB3 0.03 -0.04 0.14 -0.04 3.06 3.14 2zc1A1 PHE 140 HD2 0.01 0.04 -0.05 -0.04 7.28 7.24 2zc1A1 PHE 140 HE2 -0.21 0.02 -0.08 -0.04 7.38 7.07 2zc1A1 PHE 140 HZ -1.61 0.00 -0.09 -0.04 7.32 5.58 2zc1A1 ASP 141 H -0.15 0.29 0.08 -0.55 8.40 8.08 2zc1A1 ASP 141 HA -0.10 0.15 0.71 -0.75 4.63 4.63 2zc1A1 ASP 141 HB2 -0.02 0.17 0.06 -0.04 2.71 2.88 2zc1A1 ASP 141 HB3 -0.09 -0.01 0.22 -0.04 2.70 2.78 2zc1A1 HIS 142 H -0.15 0.31 0.01 -0.55 8.41 8.04 2zc1A1 HIS 142 HA -0.90 0.08 0.32 -0.75 4.63 3.37 2zc1A1 HIS 142 HB2 -0.02 0.07 0.07 -0.04 3.26 3.34 2zc1A1 HIS 142 HB3 -0.05 -0.02 0.12 -0.04 3.20 3.21 2zc1A1 HIS 142 HD2 0.39 -0.00 -0.02 -0.04 6.97 7.30 2zc1A1 HIS 142 HE1 0.09 0.06 -0.06 -0.04 7.75 7.79 2zc1A1 ALA 143 H 0.03 0.13 -0.06 -0.55 8.40 7.95 2zc1A1 ALA 143 HA 0.05 0.11 0.41 -0.75 4.34 4.16 2zc1A1 ALA 143 HB3 0.02 0.03 0.06 -0.04 1.41 1.47 2zc1A1 ALA 144 H -0.12 0.07 -0.28 -0.55 8.40 7.53 2zc1A1 ALA 144 HA -0.05 0.08 0.45 -0.75 4.34 4.06 2zc1A1 ALA 144 HB3 -0.04 0.03 0.07 -0.04 1.41 1.44 2zc1A1 ALA 145 H -0.44 0.54 -0.10 -0.55 8.40 7.85 2zc1A1 ALA 145 HA -0.83 0.07 0.47 -0.75 4.34 3.29 2zc1A1 ALA 145 HB3 -0.80 0.01 0.05 -0.04 1.41 0.62 2zc1A1 LEU 146 H -0.15 0.72 -0.02 -0.55 8.37 8.37 2zc1A1 LEU 146 HA 0.07 -0.00 0.34 -0.75 4.35 4.00 2zc1A1 LEU 146 HB2 -0.16 -0.02 0.08 -0.04 1.64 1.51 2zc1A1 LEU 146 HB3 -0.05 0.06 0.12 -0.04 1.64 1.72 2zc1A1 LEU 146 HG -0.06 0.01 -0.18 -0.04 1.64 1.37 2zc1A1 LEU 146 HD13 -0.28 0.00 -0.08 -0.04 0.93 0.53 2zc1A1 LEU 146 HD23 0.05 -0.00 -0.05 -0.04 0.89 0.84 2zc1A1 ALA 147 H -0.04 0.49 -0.23 -0.55 8.40 8.07 2zc1A1 ALA 147 HA -0.02 0.03 0.41 -0.75 4.34 4.01 2zc1A1 ALA 147 HB3 -0.02 0.01 0.11 -0.04 1.41 1.47 2zc1A1 SER 148 H -0.01 0.55 -0.09 -0.55 8.46 8.36 2zc1A1 SER 148 HA 0.01 0.02 0.47 -0.75 4.49 4.23 2zc1A1 SER 148 HB2 0.07 -0.00 0.16 -0.04 3.95 4.13 2zc1A1 SER 148 HB3 0.09 0.06 0.18 -0.04 3.93 4.22 2zc1A1 CYS 149 H 0.10 0.65 -0.10 -0.55 8.50 8.60 2zc1A1 CYS 149 HA 0.31 0.02 0.48 -0.75 4.58 4.64 2zc1A1 CYS 149 HB2 0.20 0.09 0.09 -0.04 2.97 3.31 2zc1A1 CYS 149 HB3 0.37 -0.08 -0.01 -0.04 2.97 3.21 2zc1A1 THR 150 H 0.02 0.66 -0.08 -0.55 8.28 8.33 2zc1A1 THR 150 HA 0.01 0.04 0.51 -0.75 4.39 4.20 2zc1A1 THR 150 HB -0.03 -0.00 0.02 -0.04 4.32 4.27 2zc1A1 THR 150 HG23 -0.05 0.03 0.06 -0.04 1.22 1.21 2zc1A1 GLU 151 H -0.03 0.48 -0.25 -0.55 8.60 8.25 2zc1A1 GLU 151 HA -0.06 0.01 0.37 -0.75 4.29 3.86 2zc1A1 GLU 151 HB2 -0.04 0.04 0.15 -0.04 2.09 2.20 2zc1A1 GLU 151 HB3 -0.06 0.16 0.19 -0.04 1.99 2.24 2zc1A1 GLU 151 HG2 -0.10 -0.02 -0.20 -0.04 2.34 1.98 2zc1A1 GLU 151 HG3 -0.07 -0.04 0.04 -0.04 2.34 2.24 2zc1A1 THR 152 H -0.16 0.46 -0.19 -0.55 8.28 7.84 2zc1A1 THR 152 HA -0.36 -0.01 0.45 -0.75 4.39 3.71 2zc1A1 THR 152 HB -0.77 0.12 0.17 -0.04 4.32 3.79 2zc1A1 THR 152 HG23 -1.84 -0.03 -0.10 -0.04 1.22 -0.80 2zc1A1 ALA 153 H -0.17 0.60 -0.12 -0.55 8.40 8.16 2zc1A1 ALA 153 HA -0.12 -0.02 0.35 -0.75 4.34 3.80 2zc1A1 ALA 153 HB3 0.08 0.02 0.07 -0.04 1.41 1.54 2zc1A1 ARG 154 H -0.09 0.65 -0.20 -0.55 8.46 8.27 2zc1A1 ARG 154 HA -0.04 0.06 0.46 -0.75 4.34 4.06 2zc1A1 ARG 154 HB2 -0.07 0.10 0.16 -0.04 1.90 2.06 2zc1A1 ARG 154 HB3 -0.05 -0.07 0.01 -0.04 1.80 1.65 2zc1A1 ARG 154 HG2 -0.03 0.01 0.05 -0.04 1.67 1.66 2zc1A1 ARG 154 HG3 -0.04 0.21 0.04 -0.04 1.67 1.83 2zc1A1 ARG 154 HD2 -0.03 -0.03 0.01 -0.04 3.22 3.12 2zc1A1 ARG 154 HD3 -0.03 0.00 -0.02 -0.04 3.22 3.13 2zc1A1 ALA 155 H -0.14 0.51 -0.15 -0.55 8.40 8.08 2zc1A1 ALA 155 HA -0.07 0.00 0.44 -0.75 4.34 3.96 2zc1A1 ALA 155 HB3 -0.14 0.02 0.09 -0.04 1.41 1.34 2zc1A1 LEU 156 H -0.15 0.49 -0.24 -0.55 8.37 7.93 2zc1A1 LEU 156 HA -0.05 -0.04 0.49 -0.75 4.35 4.00 2zc1A1 LEU 156 HB2 -0.07 0.17 0.14 -0.04 1.64 1.85 2zc1A1 LEU 156 HB3 -0.00 0.01 -0.04 -0.04 1.64 1.57 2zc1A1 LEU 156 HG -0.28 0.10 -0.03 -0.04 1.64 1.39 2zc1A1 LEU 156 HD13 0.01 -0.03 -0.11 -0.04 0.93 0.76 2zc1A1 LEU 156 HD23 -0.04 -0.04 -0.04 -0.04 0.89 0.73 2zc1A1 LEU 157 H -0.04 0.54 -0.06 -0.55 8.37 8.26 2zc1A1 LEU 157 HA -0.01 0.22 0.34 -0.75 4.35 4.15 2zc1A1 LEU 157 HB2 -0.02 0.07 0.17 -0.04 1.64 1.82 2zc1A1 LEU 157 HB3 -0.01 -0.06 0.02 -0.04 1.64 1.55 2zc1A1 LEU 157 HG -0.01 0.10 0.08 -0.04 1.64 1.77 2zc1A1 LEU 157 HD13 -0.01 -0.07 -0.12 -0.04 0.93 0.69 2zc1A1 LEU 157 HD23 0.00 0.03 -0.04 -0.04 0.89 0.85 2zc1A1 ALA 158 H -0.03 0.42 -0.36 -0.55 8.40 7.88 2zc1A1 ALA 158 HA -0.02 0.00 0.38 -0.75 4.34 3.95 2zc1A1 ALA 158 HB3 -0.03 0.04 0.09 -0.04 1.41 1.47 2zc1A1 ARG 159 H -0.02 0.35 -0.34 -0.55 8.46 7.90 2zc1A1 ARG 159 HA -0.00 0.03 0.52 -0.75 4.34 4.13 2zc1A1 ARG 159 HB2 0.00 0.12 0.13 -0.04 1.90 2.11 2zc1A1 ARG 159 HB3 0.01 -0.11 0.16 -0.04 1.80 1.81 2zc1A1 ARG 159 HG2 -0.02 0.36 0.16 -0.04 1.67 2.13 2zc1A1 ARG 159 HG3 0.00 -0.16 0.07 -0.04 1.67 1.55 2zc1A1 ARG 159 HD2 0.01 -0.03 0.00 -0.04 3.22 3.16 2zc1A1 ARG 159 HD3 -0.01 0.03 -0.12 -0.04 3.22 3.08 2zc1A1 GLY 160 H -0.00 0.59 -0.61 -0.55 8.43 7.86 2zc1A1 GLY 160 HA2 0.00 0.05 0.28 -0.51 4.01 3.83 2zc1A1 GLY 160 HA3 0.01 0.02 0.57 -0.51 4.01 4.09 2zc1A1 ILE 161 H 0.01 0.37 -0.25 -0.55 8.25 7.82 2zc1A1 ILE 161 HA 0.02 0.11 0.62 -0.75 4.18 4.18 2zc1A1 ILE 161 HB 0.02 0.02 0.02 -0.04 1.89 1.90 2zc1A1 ILE 161 HG12 0.04 0.01 -0.20 -0.04 1.49 1.30 2zc1A1 ILE 161 HG13 0.03 0.05 -0.21 -0.04 1.21 1.03 2zc1A1 ILE 161 HG23 0.05 -0.01 -0.21 -0.04 0.93 0.72 2zc1A1 ILE 161 HD13 0.06 -0.04 -0.04 -0.04 0.88 0.82 2zc1A1 GLN 162 H 0.02 0.48 0.29 -0.55 8.47 8.72 2zc1A1 GLN 162 HA 0.01 0.11 0.82 -0.75 4.36 4.54 2zc1A1 GLN 162 HB2 0.01 0.32 0.09 -0.04 2.15 2.54 2zc1A1 GLN 162 HB3 0.01 -0.03 0.13 -0.04 2.02 2.08 2zc1A1 GLN 162 HG2 0.01 -0.04 -0.13 -0.04 2.40 2.19 2zc1A1 GLN 162 HG3 0.01 0.09 -0.08 -0.04 2.39 2.37 2zc1A1 GLN 162 HE21 0.01 -0.05 -0.03 -0.04 6.97 6.86 2zc1A1 GLN 162 HE22 0.01 -0.07 0.07 -0.04 7.69 7.65 2zc1A1 THR 163 H 0.02 0.33 0.15 -0.55 8.28 8.23 2zc1A1 THR 163 HA -0.00 0.28 0.98 -0.75 4.39 4.89 2zc1A1 THR 163 HB -0.01 0.01 -0.11 -0.04 4.32 4.18 2zc1A1 THR 163 HG23 -0.07 -0.05 -0.29 -0.04 1.22 0.77 2zc1A1 VAL 164 H -0.02 0.74 0.32 -0.55 8.24 8.73 2zc1A1 VAL 164 HA -0.01 0.15 0.95 -0.75 4.13 4.46 2zc1A1 VAL 164 HB 0.04 0.03 0.02 -0.04 2.12 2.17 2zc1A1 VAL 164 HG13 -0.07 -0.05 -0.32 -0.04 0.97 0.49 2zc1A1 VAL 164 HG23 0.25 -0.01 -0.17 -0.04 0.95 0.99 2zc1A1 VAL 165 H -0.14 0.69 0.20 -0.55 8.24 8.45 2zc1A1 VAL 165 HA -0.24 0.09 0.85 -0.75 4.13 4.08 2zc1A1 VAL 165 HB -0.27 -0.09 -0.07 -0.04 2.12 1.64 2zc1A1 VAL 165 HG13 -0.27 -0.00 -0.30 -0.04 0.97 0.36 2zc1A1 VAL 165 HG23 -0.87 0.02 -0.17 -0.04 0.95 -0.11 2zc1A1 ASP 166 H -0.19 0.87 0.24 -0.55 8.40 8.78 2zc1A1 ASP 166 HA -0.33 0.16 0.68 -0.75 4.63 4.39 2zc1A1 ASP 166 HB2 -0.24 -0.01 0.07 -0.04 2.71 2.48 2zc1A1 ASP 166 HB3 -0.17 0.06 0.29 -0.04 2.70 2.85 2zc1A1 ALA 167 H -0.57 0.54 0.25 -0.55 8.40 8.07 2zc1A1 ALA 167 HA -0.21 0.21 0.49 -0.75 4.34 4.08 2zc1A1 ALA 167 HB3 -0.72 0.02 -0.03 -0.04 1.41 0.63 2zc1A1 THR 168 H -0.07 0.03 -0.38 -0.55 8.28 7.32 2zc1A1 THR 168 HA 0.19 0.09 0.27 -0.75 4.39 4.18 2zc1A1 THR 168 HB -0.06 -0.11 0.01 -0.04 4.32 4.13 2zc1A1 THR 168 HG23 -0.20 0.03 -0.25 -0.04 1.22 0.75 2zc1A1 PRO 169 HA -0.07 0.16 0.21 -0.51 4.44 4.23 2zc1A1 PRO 169 HB2 -0.20 -0.20 -0.06 -0.04 2.28 1.78 2zc1A1 PRO 169 HB3 -0.04 -0.06 -0.26 -0.04 2.02 1.61 2zc1A1 PRO 169 HG2 -0.57 -0.07 -0.06 -0.04 2.03 1.30 2zc1A1 PRO 169 HG3 -0.03 0.22 -0.14 -0.04 2.03 2.04 2zc1A1 PRO 169 HD2 -0.24 0.03 0.13 -0.04 3.68 3.56 2zc1A1 PRO 169 HD3 0.00 0.38 0.18 -0.04 3.65 4.18 2zc1A1 ASN 170 H -0.16 0.84 0.35 -0.55 8.53 9.01 2zc1A1 ASN 170 HA -0.16 0.11 0.43 -0.75 4.76 4.39 2zc1A1 ASN 170 HB2 -0.65 -0.05 0.16 -0.04 2.88 2.30 2zc1A1 ASN 170 HB3 -0.19 -0.01 0.08 -0.04 2.79 2.63 2zc1A1 ASN 170 HD21 0.16 0.05 0.07 -0.04 7.03 7.27 2zc1A1 ASN 170 HD22 0.26 -0.02 0.04 -0.04 7.74 7.98 2zc1A1 ASP 171 H -0.53 0.04 -0.16 -0.55 8.40 7.21 2zc1A1 ASP 171 HA -0.26 0.23 0.82 -0.75 4.63 4.67 2zc1A1 ASP 171 HB2 -0.09 -0.04 0.29 -0.04 2.71 2.83 2zc1A1 ASP 171 HB3 -0.53 0.07 0.15 -0.04 2.70 2.35 2zc1A1 CYS 172 H -0.28 0.55 -0.49 -0.55 8.50 7.73 2zc1A1 CYS 172 HA -0.31 0.32 0.99 -0.75 4.58 4.82 2zc1A1 CYS 172 HB2 -0.53 0.06 0.08 -0.04 2.97 2.55 2zc1A1 CYS 172 HB3 -1.50 0.02 0.19 -0.04 2.97 1.63 2zc1A1 GLY 173 H -0.12 0.15 -0.22 -0.55 8.43 7.69 2zc1A1 GLY 173 HA2 -0.11 0.01 0.18 -0.51 4.01 3.58 2zc1A1 GLY 173 HA3 -0.47 0.03 0.42 -0.51 4.01 3.48 2zc1A1 ARG 174 H -0.19 0.11 -0.20 -0.55 8.46 7.63 2zc1A1 ARG 174 HA -0.13 0.01 0.26 -0.75 4.34 3.72 2zc1A1 ARG 174 HB2 -0.13 0.22 -0.31 -0.04 1.90 1.65 2zc1A1 ARG 174 HB3 -0.11 -0.06 0.05 -0.04 1.80 1.63 2zc1A1 ARG 174 HG2 -0.07 -0.09 -0.25 -0.04 1.67 1.22 2zc1A1 ARG 174 HG3 -0.08 0.00 -0.04 -0.04 1.67 1.52 2zc1A1 ARG 174 HD2 -0.04 0.11 0.02 -0.04 3.22 3.27 2zc1A1 ARG 174 HD3 -0.06 0.06 -0.07 -0.04 3.22 3.11 2zc1A1 ASN 175 H -0.08 0.13 0.03 -0.55 8.53 8.07 2zc1A1 ASN 175 HA -0.05 0.20 0.80 -0.75 4.76 4.96 2zc1A1 ASN 175 HB2 -0.17 0.20 -0.18 -0.04 2.88 2.69 2zc1A1 ASN 175 HB3 -0.04 -0.05 0.16 -0.04 2.79 2.82 2zc1A1 ASN 175 HD21 -0.03 0.01 -0.01 -0.04 7.03 6.95 2zc1A1 ASN 175 HD22 -0.35 0.07 -0.03 -0.04 7.74 7.38 2zc1A1 PRO 176 HA -0.02 0.08 0.44 -0.51 4.44 4.43 2zc1A1 PRO 176 HB2 -0.00 0.03 0.05 -0.04 2.28 2.32 2zc1A1 PRO 176 HB3 -0.01 0.13 0.01 -0.04 2.02 2.11 2zc1A1 PRO 176 HG2 -0.01 0.08 0.00 -0.04 2.03 2.06 2zc1A1 PRO 176 HG3 -0.03 0.08 -0.02 -0.04 2.03 2.02 2zc1A1 PRO 176 HD2 -0.02 0.11 0.11 -0.04 3.68 3.84 2zc1A1 PRO 176 HD3 -0.04 0.18 -0.24 -0.04 3.65 3.51 2zc1A1 ALA 177 H 0.03 0.14 -0.12 -0.55 8.40 7.90 2zc1A1 ALA 177 HA 0.02 0.17 0.41 -0.75 4.34 4.19 2zc1A1 ALA 177 HB3 0.06 0.02 0.05 -0.04 1.41 1.50 2zc1A1 PHE 178 H 0.18 0.12 -0.26 -0.55 8.34 7.83 2zc1A1 PHE 178 HA 0.07 0.07 0.45 -0.75 4.62 4.46 2zc1A1 PHE 178 HB2 0.04 -0.03 0.06 -0.04 3.15 3.18 2zc1A1 PHE 178 HB3 -0.04 0.12 0.09 -0.04 3.06 3.19 2zc1A1 PHE 178 HD2 0.04 -0.00 -0.10 -0.04 7.28 7.17 2zc1A1 PHE 178 HE2 -0.24 0.03 -0.11 -0.04 7.38 7.02 2zc1A1 PHE 178 HZ -0.11 0.03 -0.63 -0.04 7.32 6.56 2zc1A1 LEU 179 H 0.07 0.45 -0.09 -0.55 8.37 8.26 2zc1A1 LEU 179 HA -0.13 -0.01 0.39 -0.75 4.35 3.85 2zc1A1 LEU 179 HB2 -0.03 0.07 0.17 -0.04 1.64 1.82 2zc1A1 LEU 179 HB3 -0.07 0.06 -0.06 -0.04 1.64 1.53 2zc1A1 LEU 179 HG -0.13 0.02 -0.02 -0.04 1.64 1.47 2zc1A1 LEU 179 HD13 -0.05 -0.02 0.01 -0.04 0.93 0.82 2zc1A1 LEU 179 HD23 -0.08 -0.01 -0.08 -0.04 0.89 0.67 2zc1A1 ARG 180 H -0.04 0.46 -0.27 -0.55 8.46 8.06 2zc1A1 ARG 180 HA -0.05 0.03 0.42 -0.75 4.34 3.98 2zc1A1 ARG 180 HB2 -0.02 0.07 0.12 -0.04 1.90 2.03 2zc1A1 ARG 180 HB3 -0.02 0.08 0.17 -0.04 1.80 1.99 2zc1A1 ARG 180 HG2 -0.02 -0.09 -0.13 -0.04 1.67 1.38 2zc1A1 ARG 180 HG3 -0.02 0.16 0.01 -0.04 1.67 1.78 2zc1A1 ARG 180 HD2 -0.00 -0.06 0.04 -0.04 3.22 3.15 2zc1A1 ARG 180 HD3 -0.01 -0.06 -0.03 -0.04 3.22 3.09 2zc1A1 GLU 181 H -0.10 0.41 -0.12 -0.55 8.60 8.24 2zc1A1 GLU 181 HA -0.06 0.04 0.46 -0.75 4.29 3.98 2zc1A1 GLU 181 HB2 -0.33 0.10 0.17 -0.04 2.09 1.99 2zc1A1 GLU 181 HB3 -0.09 -0.05 0.02 -0.04 1.99 1.83 2zc1A1 GLU 181 HG2 0.03 -0.01 0.05 -0.04 2.34 2.37 2zc1A1 GLU 181 HG3 0.03 0.29 0.15 -0.04 2.34 2.76 2zc1A1 VAL 182 H -0.35 0.51 -0.13 -0.55 8.24 7.73 2zc1A1 VAL 182 HA -0.16 0.01 0.40 -0.75 4.13 3.63 2zc1A1 VAL 182 HB -0.18 0.11 0.10 -0.04 2.12 2.11 2zc1A1 VAL 182 HG13 0.07 -0.01 -0.21 -0.04 0.97 0.77 2zc1A1 VAL 182 HG23 -0.55 0.02 -0.03 -0.04 0.95 0.35 2zc1A1 SER 183 H -0.09 0.51 -0.18 -0.55 8.46 8.15 2zc1A1 SER 183 HA -0.02 0.09 0.48 -0.75 4.49 4.28 2zc1A1 SER 183 HB2 -0.04 -0.05 0.11 -0.04 3.95 3.93 2zc1A1 SER 183 HB3 -0.04 0.02 0.13 -0.04 3.93 3.99 2zc1A1 GLU 184 H -0.05 0.73 -0.04 -0.55 8.60 8.70 2zc1A1 GLU 184 HA -0.02 0.06 0.50 -0.75 4.29 4.07 2zc1A1 GLU 184 HB2 -0.03 0.02 0.17 -0.04 2.09 2.21 2zc1A1 GLU 184 HB3 -0.02 -0.06 0.04 -0.04 1.99 1.91 2zc1A1 GLU 184 HG2 -0.02 -0.02 0.04 -0.04 2.34 2.31 2zc1A1 GLU 184 HG3 -0.03 0.13 0.08 -0.04 2.34 2.48 2zc1A1 ALA 185 H -0.05 0.51 -0.22 -0.55 8.40 8.09 2zc1A1 ALA 185 HA -0.02 0.00 0.35 -0.75 4.34 3.92 2zc1A1 ALA 185 HB3 -0.04 -0.01 0.10 -0.04 1.41 1.41 2zc1A1 THR 186 H -0.02 0.24 -0.27 -0.55 8.28 7.68 2zc1A1 THR 186 HA -0.02 0.22 1.08 -0.75 4.39 4.92 2zc1A1 THR 186 HB -0.01 -0.02 -0.01 -0.04 4.32 4.24 2zc1A1 THR 186 HG23 -0.02 -0.01 -0.05 -0.04 1.22 1.11 2zc1A1 GLY 187 H -0.01 0.61 0.09 -0.55 8.43 8.57 2zc1A1 GLY 187 HA2 -0.01 0.02 0.32 -0.51 4.01 3.83 2zc1A1 GLY 187 HA3 -0.01 0.10 0.68 -0.51 4.01 4.27 2zc1A1 LEU 188 H 0.00 -0.05 -0.26 -0.55 8.37 7.51 2zc1A1 LEU 188 HA 0.01 0.18 0.50 -0.75 4.35 4.29 2zc1A1 LEU 188 HB2 0.03 0.04 -0.02 -0.04 1.64 1.66 2zc1A1 LEU 188 HB3 0.05 -0.12 -0.02 -0.04 1.64 1.52 2zc1A1 LEU 188 HG 0.06 0.16 -0.38 -0.04 1.64 1.43 2zc1A1 LEU 188 HD13 0.05 0.02 -0.25 -0.04 0.93 0.71 2zc1A1 LEU 188 HD23 0.24 -0.06 -0.14 -0.04 0.89 0.88 2zc1A1 GLN 189 H 0.01 0.72 0.35 -0.55 8.47 9.00 2zc1A1 GLN 189 HA -0.02 0.01 0.64 -0.75 4.36 4.23 2zc1A1 GLN 189 HB2 -0.01 0.16 0.23 -0.04 2.15 2.49 2zc1A1 GLN 189 HB3 -0.02 -0.10 -0.02 -0.04 2.02 1.84 2zc1A1 GLN 189 HG2 -0.01 -0.09 -0.04 -0.04 2.40 2.21 2zc1A1 GLN 189 HG3 -0.01 0.13 0.00 -0.04 2.39 2.48 2zc1A1 GLN 189 HE21 -0.00 0.02 -0.03 -0.04 6.97 6.91 2zc1A1 GLN 189 HE22 -0.01 -0.06 -0.03 -0.04 7.69 7.55 2zc1A1 ILE 190 H -0.04 0.12 0.19 -0.55 8.25 7.97 2zc1A1 ILE 190 HA -0.07 0.40 1.12 -0.75 4.18 4.88 2zc1A1 ILE 190 HB -0.07 -0.09 0.06 -0.04 1.89 1.75 2zc1A1 ILE 190 HG12 -0.02 0.05 -0.25 -0.04 1.49 1.24 2zc1A1 ILE 190 HG13 -0.02 0.12 -0.58 -0.04 1.21 0.69 2zc1A1 ILE 190 HG23 -0.14 -0.01 -0.13 -0.04 0.93 0.61 2zc1A1 ILE 190 HD13 -0.05 0.00 -0.09 -0.04 0.88 0.69 2zc1A1 LEU 191 H -0.12 0.57 0.38 -0.55 8.37 8.65 2zc1A1 LEU 191 HA -0.06 0.18 1.05 -0.75 4.35 4.76 2zc1A1 LEU 191 HB2 -0.19 -0.09 0.13 -0.04 1.64 1.46 2zc1A1 LEU 191 HB3 -0.09 0.05 0.05 -0.04 1.64 1.61 2zc1A1 LEU 191 HG -0.04 0.23 -0.08 -0.04 1.64 1.70 2zc1A1 LEU 191 HD13 -0.11 -0.05 -0.26 -0.04 0.93 0.47 2zc1A1 LEU 191 HD23 -0.07 0.02 -0.06 -0.04 0.89 0.75 2zc1A1 CYS 192 H -0.05 0.24 0.25 -0.55 8.50 8.39 2zc1A1 CYS 192 HA -0.10 0.25 1.05 -0.75 4.58 5.03 2zc1A1 CYS 192 HB2 -0.07 -0.07 0.12 -0.04 2.97 2.92 2zc1A1 CYS 192 HB3 -0.07 -0.05 -0.04 -0.04 2.97 2.77 2zc1A1 ALA 193 H -0.06 0.09 0.13 -0.55 8.40 8.00 2zc1A1 ALA 193 HA -0.02 0.38 0.93 -0.75 4.34 4.88 2zc1A1 ALA 193 HB3 -0.04 0.03 -0.22 -0.04 1.41 1.14 2zc1A1 THR 194 H 0.02 0.50 0.31 -0.55 8.28 8.55 2zc1A1 THR 194 HA 0.04 0.04 0.73 -0.75 4.39 4.45 2zc1A1 THR 194 HB 0.03 0.05 -0.01 -0.04 4.32 4.35 2zc1A1 THR 194 HG23 0.03 0.08 0.06 -0.04 1.22 1.35 2zc1A1 GLY 195 H 0.12 0.14 0.20 -0.55 8.43 8.34 2zc1A1 GLY 195 HA2 0.23 0.04 0.38 -0.51 4.01 4.14 2zc1A1 GLY 195 HA3 0.10 0.29 0.67 -0.51 4.01 4.57 2zc1A1 PHE 196 H 0.06 0.28 0.23 -0.55 8.34 8.36 2zc1A1 PHE 196 HA 0.01 -0.05 0.93 -0.75 4.62 4.76 2zc1A1 PHE 196 HB2 -0.94 0.02 0.10 -0.04 3.15 2.28 2zc1A1 PHE 196 HB3 -0.22 0.09 0.02 -0.04 3.06 2.91 2zc1A1 PHE 196 HD2 0.25 -0.03 -0.18 -0.04 7.28 7.28 2zc1A1 PHE 196 HE2 0.31 0.05 0.01 -0.04 7.38 7.71 2zc1A1 PHE 196 HZ 0.25 0.04 -0.02 -0.04 7.32 7.55 2zc1A1 TYR 197 H 0.16 -0.02 0.10 -0.55 8.29 7.98 2zc1A1 TYR 197 HA 0.06 0.22 0.40 -0.75 4.56 4.49 2zc1A1 TYR 197 HB2 0.03 -0.04 0.03 -0.04 3.06 3.04 2zc1A1 TYR 197 HB3 0.04 0.00 -0.08 -0.04 2.98 2.90 2zc1A1 TYR 197 HD2 0.14 0.07 -0.11 -0.04 7.15 7.22 2zc1A1 TYR 197 HE2 0.25 0.07 -0.07 -0.04 6.85 7.06 2zc1A1 TYR 198 H -0.30 0.14 0.04 -0.55 8.29 7.62 2zc1A1 TYR 198 HA 0.04 0.23 0.36 -0.75 4.56 4.44 2zc1A1 TYR 198 HB2 -0.03 -0.13 -0.29 -0.04 3.06 2.57 2zc1A1 TYR 198 HB3 -0.26 0.08 -0.25 -0.04 2.98 2.51 2zc1A1 TYR 198 HD2 -0.88 -0.04 -0.08 -0.04 7.15 6.11 2zc1A1 TYR 198 HE2 -0.18 0.07 -0.04 -0.04 6.85 6.66 2zc1A1 GLU 199 H 0.18 0.11 0.12 -0.55 8.60 8.47 2zc1A1 GLU 199 HA -0.14 0.11 0.27 -0.75 4.29 3.78 2zc1A1 GLU 199 HB2 0.16 -0.08 0.16 -0.04 2.09 2.28 2zc1A1 GLU 199 HB3 0.03 0.00 0.08 -0.04 1.99 2.06 2zc1A1 GLU 199 HG2 -0.12 0.09 -0.03 -0.04 2.34 2.24 2zc1A1 GLU 199 HG3 -0.34 0.00 0.05 -0.04 2.34 2.01 2zc1A1 GLY 200 H -0.45 -0.01 -0.28 -0.55 8.43 7.14 2zc1A1 GLY 200 HA2 -0.16 0.10 0.37 -0.51 4.01 3.80 2zc1A1 GLY 200 HA3 -0.27 -0.00 0.26 -0.51 4.01 3.49 2zc1A1 GLU 201 H -1.01 0.11 -0.29 -0.55 8.60 6.86 2zc1A1 GLU 201 HA -0.13 0.28 0.95 -0.75 4.29 4.63 2zc1A1 GLU 201 HB2 -0.24 -0.10 -0.06 -0.04 2.09 1.65 2zc1A1 GLU 201 HB3 0.26 0.01 0.04 -0.04 1.99 2.26 2zc1A1 GLU 201 HG2 0.01 0.07 0.01 -0.04 2.34 2.39 2zc1A1 GLU 201 HG3 -0.03 -0.05 -0.37 -0.04 2.34 1.84 2zc1A1 GLY 202 H -0.22 0.42 -0.04 -0.55 8.43 8.04 2zc1A1 GLY 202 HA2 0.15 0.09 0.45 -0.51 4.01 4.19 2zc1A1 GLY 202 HA3 0.13 0.02 0.14 -0.51 4.01 3.80 2zc1A1 ALA 203 H 0.14 0.12 0.11 -0.55 8.40 8.22 2zc1A1 ALA 203 HA 0.07 0.15 0.67 -0.75 4.34 4.47 2zc1A1 ALA 203 HB3 0.10 0.01 0.22 -0.04 1.41 1.70 2zc1A1 THR 204 H 0.01 0.40 -0.05 -0.55 8.28 8.09 2zc1A1 THR 204 HA 0.23 0.14 0.52 -0.75 4.39 4.53 2zc1A1 THR 204 HB -0.83 -0.06 0.02 -0.04 4.32 3.41 2zc1A1 THR 204 HG23 -0.28 0.08 -0.17 -0.04 1.22 0.81 2zc1A1 THR 205 H 0.07 0.15 -0.08 -0.55 8.28 7.87 2zc1A1 THR 205 HA 0.06 0.10 0.32 -0.75 4.39 4.11 2zc1A1 THR 205 HB 0.07 -0.01 0.05 -0.04 4.32 4.38 2zc1A1 THR 205 HG23 0.00 0.03 -0.05 -0.04 1.22 1.15 2zc1A1 TYR 206 H 0.26 0.13 -0.21 -0.55 8.29 7.92 2zc1A1 TYR 206 HA 0.03 0.11 0.37 -0.75 4.56 4.31 2zc1A1 TYR 206 HB2 0.02 0.03 0.08 -0.04 3.06 3.15 2zc1A1 TYR 206 HB3 0.05 -0.00 0.09 -0.04 2.98 3.08 2zc1A1 TYR 206 HD2 -0.56 -0.02 -0.06 -0.04 7.15 6.47 2zc1A1 TYR 206 HE2 -0.51 0.03 -0.04 -0.04 6.85 6.29 2zc1A1 PHE 207 H 0.42 0.18 -0.09 -0.55 8.34 8.30 2zc1A1 PHE 207 HA -0.08 0.08 0.55 -0.75 4.62 4.41 2zc1A1 PHE 207 HB2 0.31 0.03 0.09 -0.04 3.15 3.54 2zc1A1 PHE 207 HB3 0.06 0.02 0.01 -0.04 3.06 3.11 2zc1A1 PHE 207 HD2 -0.40 -0.04 0.03 -0.04 7.28 6.82 2zc1A1 PHE 207 HE2 -0.19 0.01 -0.05 -0.04 7.38 7.11 2zc1A1 PHE 207 HZ 0.08 0.07 -0.09 -0.04 7.32 7.34 2zc1A1 LYS 208 H 0.31 0.50 -0.21 -0.55 8.42 8.46 2zc1A1 LYS 208 HA 0.26 0.01 0.47 -0.75 4.32 4.31 2zc1A1 LYS 208 HB2 0.12 0.10 0.10 -0.04 1.87 2.15 2zc1A1 LYS 208 HB3 0.11 -0.00 -0.02 -0.04 1.79 1.83 2zc1A1 LYS 208 HG2 0.18 -0.07 0.03 -0.04 1.46 1.55 2zc1A1 LYS 208 HG3 -0.02 0.11 0.03 -0.04 1.46 1.54 2zc1A1 LYS 208 HD2 -0.07 -0.04 -0.17 -0.04 1.69 1.38 2zc1A1 LYS 208 HD3 0.01 0.03 -0.04 -0.04 1.68 1.63 2zc1A1 LYS 208 HE2 -0.09 -0.07 -0.01 -0.04 2.99 2.79 2zc1A1 LYS 208 HE3 -0.46 -0.04 -0.03 -0.04 2.99 2.42 2zc1A1 PHE 209 H 0.20 0.50 -0.21 -0.55 8.34 8.28 2zc1A1 PHE 209 HA -0.02 0.04 0.46 -0.75 4.62 4.35 2zc1A1 PHE 209 HB2 -0.04 0.03 0.14 -0.04 3.15 3.24 2zc1A1 PHE 209 HB3 -0.16 0.18 0.23 -0.04 3.06 3.27 2zc1A1 PHE 209 HD2 -0.11 0.00 -0.02 -0.04 7.28 7.11 2zc1A1 PHE 209 HE2 -0.04 0.01 -0.03 -0.04 7.38 7.27 2zc1A1 PHE 209 HZ -0.03 0.01 -0.03 -0.04 7.32 7.24 2zc1A1 ARG 210 H -0.09 0.49 0.03 -0.55 8.46 8.34 2zc1A1 ARG 210 HA -0.29 0.05 0.35 -0.75 4.34 3.70 2zc1A1 ARG 210 HB2 0.06 0.03 0.10 -0.04 1.90 2.05 2zc1A1 ARG 210 HB3 -0.07 -0.04 -0.00 -0.04 1.80 1.64 2zc1A1 ARG 210 HG2 -0.75 0.35 0.08 -0.04 1.67 1.31 2zc1A1 ARG 210 HG3 -0.82 -0.06 -0.04 -0.04 1.67 0.71 2zc1A1 ARG 210 HD2 -0.27 -0.00 -0.02 -0.04 3.22 2.88 2zc1A1 ARG 210 HD3 -0.77 -0.01 -0.03 -0.04 3.22 2.37 2zc1A1 ALA 211 H 0.03 0.50 -0.38 -0.55 8.40 8.00 2zc1A1 ALA 211 HA -0.03 -0.09 0.51 -0.75 4.34 3.97 2zc1A1 ALA 211 HB3 0.04 0.03 0.13 -0.04 1.41 1.56 2zc1A1 SER 212 H -0.09 0.35 -0.24 -0.55 8.46 7.93 2zc1A1 SER 212 HA -0.05 0.04 0.55 -0.75 4.49 4.28 2zc1A1 SER 212 HB2 -0.05 -0.06 0.10 -0.04 3.95 3.90 2zc1A1 SER 212 HB3 -0.02 -0.00 0.15 -0.04 3.93 4.02 2zc1A1 LEU 213 H -0.25 0.23 -0.31 -0.55 8.37 7.49 2zc1A1 LEU 213 HA -0.16 0.11 0.66 -0.75 4.35 4.20 2zc1A1 LEU 213 HB2 -0.28 0.04 0.07 -0.04 1.64 1.42 2zc1A1 LEU 213 HB3 -0.20 -0.06 0.02 -0.04 1.64 1.36 2zc1A1 LEU 213 HG -0.89 0.17 -0.00 -0.04 1.64 0.88 2zc1A1 LEU 213 HD13 -0.52 -0.03 -0.05 -0.04 0.93 0.29 2zc1A1 LEU 213 HD23 -0.27 -0.00 -0.05 -0.04 0.89 0.52 2zc1A1 GLY 214 H -0.11 0.41 -0.05 -0.55 8.43 8.14 2zc1A1 GLY 214 HA2 -0.06 0.13 0.43 -0.51 4.01 4.01 2zc1A1 GLY 214 HA3 -0.06 -0.05 0.38 -0.51 4.01 3.76 2zc1A1 ASP 215 H -0.04 0.19 0.08 -0.55 8.40 8.09 2zc1A1 ASP 215 HA -0.04 0.18 0.79 -0.75 4.63 4.80 2zc1A1 ASP 215 HB2 -0.03 0.10 0.12 -0.04 2.71 2.87 2zc1A1 ASP 215 HB3 -0.02 0.02 0.24 -0.04 2.70 2.90 2zc1A1 ALA 216 H -0.05 0.48 0.08 -0.55 8.40 8.37 2zc1A1 ALA 216 HA 0.02 0.06 0.36 -0.75 4.34 4.04 2zc1A1 ALA 216 HB3 -0.03 0.02 -0.03 -0.04 1.41 1.33 2zc1A1 GLU 217 H -0.11 0.16 -0.07 -0.55 8.60 8.03 2zc1A1 GLU 217 HA -0.27 0.11 0.42 -0.75 4.29 3.80 2zc1A1 GLU 217 HB2 -0.12 0.01 0.15 -0.04 2.09 2.09 2zc1A1 GLU 217 HB3 -0.09 -0.02 0.08 -0.04 1.99 1.92 2zc1A1 GLU 217 HG2 -0.08 -0.01 -0.23 -0.04 2.34 1.98 2zc1A1 GLU 217 HG3 -0.10 0.10 0.10 -0.04 2.34 2.40 2zc1A1 SER 218 H -0.05 0.11 -0.29 -0.55 8.46 7.68 2zc1A1 SER 218 HA 0.04 0.12 0.49 -0.75 4.49 4.40 2zc1A1 SER 218 HB2 -0.01 0.07 0.13 -0.04 3.95 4.10 2zc1A1 SER 218 HB3 0.04 0.04 -0.00 -0.04 3.93 3.96 2zc1A1 GLU 219 H -0.00 0.34 -0.17 -0.55 8.60 8.22 2zc1A1 GLU 219 HA 0.07 0.08 0.51 -0.75 4.29 4.19 2zc1A1 GLU 219 HB2 0.18 0.05 0.12 -0.04 2.09 2.40 2zc1A1 GLU 219 HB3 0.21 -0.03 0.04 -0.04 1.99 2.16 2zc1A1 GLU 219 HG2 0.06 -0.01 0.01 -0.04 2.34 2.36 2zc1A1 GLU 219 HG3 0.03 0.33 0.10 -0.04 2.34 2.75 2zc1A1 ILE 220 H -0.19 0.59 -0.12 -0.55 8.25 7.98 2zc1A1 ILE 220 HA -0.28 -0.01 0.47 -0.75 4.18 3.60 2zc1A1 ILE 220 HB -0.46 0.14 0.15 -0.04 1.89 1.68 2zc1A1 ILE 220 HG12 -1.78 -0.08 0.00 -0.04 1.49 -0.41 2zc1A1 ILE 220 HG13 -1.00 0.13 0.05 -0.04 1.21 0.34 2zc1A1 ILE 220 HG23 -0.41 -0.02 -0.07 -0.04 0.93 0.39 2zc1A1 ILE 220 HD13 -1.77 -0.04 -0.16 -0.04 0.88 -1.13 2zc1A1 TYR 221 H 0.02 0.57 -0.09 -0.55 8.29 8.25 2zc1A1 TYR 221 HA -0.06 0.04 0.40 -0.75 4.56 4.19 2zc1A1 TYR 221 HB2 -0.07 -0.01 0.19 -0.04 3.06 3.13 2zc1A1 TYR 221 HB3 -0.06 0.03 0.27 -0.04 2.98 3.18 2zc1A1 TYR 221 HD2 -0.03 0.07 0.03 -0.04 7.15 7.18 2zc1A1 TYR 221 HE2 -0.02 0.04 -0.13 -0.04 6.85 6.70 2zc1A1 GLU 222 H 0.04 0.52 -0.21 -0.55 8.60 8.41 2zc1A1 GLU 222 HA -0.30 0.04 0.38 -0.75 4.29 3.65 2zc1A1 GLU 222 HB2 0.03 0.08 0.17 -0.04 2.09 2.33 2zc1A1 GLU 222 HB3 -0.00 -0.05 0.03 -0.04 1.99 1.92 2zc1A1 GLU 222 HG2 0.07 -0.03 0.04 -0.04 2.34 2.38 2zc1A1 GLU 222 HG3 0.18 0.11 0.11 -0.04 2.34 2.70 2zc1A1 MET 223 H -0.01 0.45 -0.21 -0.55 8.47 8.15 2zc1A1 MET 223 HA 0.03 0.00 0.48 -0.75 4.52 4.28 2zc1A1 MET 223 HB2 0.15 -0.01 0.14 -0.04 2.15 2.39 2zc1A1 MET 223 HB3 0.05 0.10 0.23 -0.04 2.03 2.38 2zc1A1 MET 223 HG2 0.12 0.03 -0.29 -0.04 2.63 2.44 2zc1A1 MET 223 HG3 0.14 -0.04 0.04 -0.04 2.56 2.66 2zc1A1 MET 223 HE3 0.22 -0.01 -0.02 -0.04 2.10 2.25 2zc1A1 MET 224 H -0.05 0.67 -0.01 -0.55 8.47 8.53 2zc1A1 MET 224 HA 0.00 -0.04 0.39 -0.75 4.52 4.12 2zc1A1 MET 224 HB2 -0.07 0.09 0.13 -0.04 2.15 2.25 2zc1A1 MET 224 HB3 -0.03 0.05 -0.03 -0.04 2.03 1.97 2zc1A1 MET 224 HG2 0.06 -0.05 -0.07 -0.04 2.63 2.52 2zc1A1 MET 224 HG3 0.02 0.02 0.03 -0.04 2.56 2.59 2zc1A1 MET 224 HE3 0.16 0.00 0.04 -0.04 2.10 2.26 2zc1A1 ARG 225 H -0.29 0.73 -0.05 -0.55 8.46 8.29 2zc1A1 ARG 225 HA -0.14 0.06 0.37 -0.75 4.34 3.88 2zc1A1 ARG 225 HB2 -0.69 0.06 0.12 -0.04 1.90 1.34 2zc1A1 ARG 225 HB3 -0.39 -0.00 0.11 -0.04 1.80 1.48 2zc1A1 ARG 225 HG2 -0.11 -0.03 -0.04 -0.04 1.67 1.45 2zc1A1 ARG 225 HG3 -0.13 0.03 0.02 -0.04 1.67 1.55 2zc1A1 ARG 225 HD2 -0.02 0.02 -0.04 -0.04 3.22 3.14 2zc1A1 ARG 225 HD3 -0.19 -0.02 -0.04 -0.04 3.22 2.92 2zc1A1 THR 226 H -0.11 0.59 -0.14 -0.55 8.28 8.07 2zc1A1 THR 226 HA -0.04 0.01 0.47 -0.75 4.39 4.08 2zc1A1 THR 226 HB -0.01 0.07 0.22 -0.04 4.32 4.56 2zc1A1 THR 226 HG23 0.00 -0.00 -0.02 -0.04 1.22 1.16 2zc1A1 GLU 227 H -0.01 0.61 -0.05 -0.55 8.60 8.61 2zc1A1 GLU 227 HA 0.01 0.09 0.31 -0.75 4.29 3.94 2zc1A1 GLU 227 HB2 0.02 0.10 0.14 -0.04 2.09 2.30 2zc1A1 GLU 227 HB3 0.02 -0.08 0.03 -0.04 1.99 1.92 2zc1A1 GLU 227 HG2 0.02 -0.04 0.09 -0.04 2.34 2.37 2zc1A1 GLU 227 HG3 0.03 0.28 0.16 -0.04 2.34 2.77 2zc1A1 VAL 228 H -0.02 0.48 -0.24 -0.55 8.24 7.91 2zc1A1 VAL 228 HA 0.03 0.19 0.63 -0.75 4.13 4.23 2zc1A1 VAL 228 HB -0.02 0.03 0.11 -0.04 2.12 2.19 2zc1A1 VAL 228 HG13 0.03 0.01 -0.15 -0.04 0.97 0.82 2zc1A1 VAL 228 HG23 0.01 -0.01 -0.12 -0.04 0.95 0.80 2zc1A1 THR 229 H -0.01 0.43 -0.00 -0.55 8.28 8.15 2zc1A1 THR 229 HA 0.04 0.24 0.83 -0.75 4.39 4.75 2zc1A1 THR 229 HB 0.02 -0.05 0.05 -0.04 4.32 4.30 2zc1A1 THR 229 HG23 -0.00 0.01 -0.01 -0.04 1.22 1.17 2zc1A1 GLU 230 H 0.00 0.50 0.13 -0.55 8.60 8.68 2zc1A1 GLU 230 HA 0.01 0.19 0.97 -0.75 4.29 4.70 2zc1A1 GLU 230 HB2 -0.00 0.07 0.20 -0.04 2.09 2.32 2zc1A1 GLU 230 HB3 0.00 -0.10 -0.02 -0.04 1.99 1.84 2zc1A1 GLU 230 HG2 0.00 -0.00 -0.03 -0.04 2.34 2.27 2zc1A1 GLU 230 HG3 0.00 -0.00 -0.27 -0.04 2.34 2.03 2zc1A1 GLY 231 H 0.00 0.57 0.20 -0.55 8.43 8.65 2zc1A1 GLY 231 HA2 0.01 0.21 -0.15 -0.51 4.01 3.56 2zc1A1 GLY 231 HA3 0.01 -0.05 0.47 -0.51 4.01 3.92 2zc1A1 ILE 232 H 0.00 0.52 0.19 -0.55 8.25 8.41 2zc1A1 ILE 232 HA 0.01 0.15 0.99 -0.75 4.18 4.57 2zc1A1 ILE 232 HB 0.00 0.03 0.15 -0.04 1.89 2.04 2zc1A1 ILE 232 HG12 0.01 -0.05 0.03 -0.04 1.49 1.44 2zc1A1 ILE 232 HG13 0.01 0.06 -0.10 -0.04 1.21 1.13 2zc1A1 ILE 232 HG23 0.00 -0.03 -0.11 -0.04 0.93 0.76 2zc1A1 ILE 232 HD13 -0.00 0.02 -0.14 -0.04 0.88 0.71 2zc1A1 ALA 233 H 0.02 0.20 0.18 -0.55 8.40 8.25 2zc1A1 ALA 233 HA 0.01 0.05 0.34 -0.75 4.34 3.99 2zc1A1 ALA 233 HB3 0.00 0.04 0.05 -0.04 1.41 1.46 2zc1A1 GLY 234 H 0.01 0.12 -0.43 -0.55 8.43 7.59 2zc1A1 GLY 234 HA2 0.01 0.04 0.18 -0.51 4.01 3.72 2zc1A1 GLY 234 HA3 0.01 0.09 0.36 -0.51 4.01 3.95 2zc1A1 THR 235 H 0.01 0.46 -0.45 -0.55 8.28 7.74 2zc1A1 THR 235 HA 0.01 0.18 0.60 -0.75 4.39 4.43 2zc1A1 THR 235 HB 0.01 -0.00 0.11 -0.04 4.32 4.39 2zc1A1 THR 235 HG23 0.01 0.01 0.01 -0.04 1.22 1.20 2zc1A1 GLY 236 H 0.00 0.00 -0.22 -0.55 8.43 7.67 2zc1A1 GLY 236 HA2 0.00 0.20 0.31 -0.51 4.01 4.01 2zc1A1 GLY 236 HA3 0.00 0.16 0.56 -0.51 4.01 4.22 2zc1A1 ILE 237 H 0.00 -0.07 -0.48 -0.55 8.25 7.15 2zc1A1 ILE 237 HA -0.00 0.21 0.54 -0.75 4.18 4.17 2zc1A1 ILE 237 HB -0.00 -0.17 0.09 -0.04 1.89 1.77 2zc1A1 ILE 237 HG12 -0.01 0.26 0.02 -0.04 1.49 1.71 2zc1A1 ILE 237 HG13 -0.00 0.04 -0.11 -0.04 1.21 1.10 2zc1A1 ILE 237 HG23 -0.01 0.02 -0.12 -0.04 0.93 0.78 2zc1A1 ILE 237 HD13 0.00 -0.02 -0.15 -0.04 0.88 0.67 2zc1A1 ARG 238 H -0.00 0.25 0.08 -0.55 8.46 8.24 2zc1A1 ARG 238 HA 0.01 0.10 0.75 -0.75 4.34 4.44 2zc1A1 ARG 238 HB2 0.01 -0.06 -0.08 -0.04 1.90 1.73 2zc1A1 ARG 238 HB3 0.02 0.28 -0.08 -0.04 1.80 1.99 2zc1A1 ARG 238 HG2 0.01 -0.14 -0.90 -0.04 1.67 0.60 2zc1A1 ARG 238 HG3 0.01 -0.03 -0.54 -0.04 1.67 1.07 2zc1A1 ARG 238 HD2 0.01 0.03 -0.22 -0.04 3.22 3.00 2zc1A1 ARG 238 HD3 0.01 -0.10 -0.09 -0.04 3.22 2.99 2zc1A1 ALA 239 H 0.01 0.50 0.09 -0.55 8.40 8.46 2zc1A1 ALA 239 HA -0.00 -0.06 0.41 -0.75 4.34 3.93 2zc1A1 ALA 239 HB3 0.01 -0.01 -0.19 -0.04 1.41 1.18 2zc1A1 GLY 240 H -0.00 0.28 0.36 -0.55 8.43 8.53 2zc1A1 GLY 240 HA2 0.07 0.13 0.81 -0.51 4.01 4.51 2zc1A1 GLY 240 HA3 0.02 0.10 0.50 -0.51 4.01 4.12 2zc1A1 VAL 241 H 0.03 0.24 0.11 -0.55 8.24 8.07 2zc1A1 VAL 241 HA 0.10 0.33 0.63 -0.75 4.13 4.45 2zc1A1 VAL 241 HB 0.12 0.04 -0.07 -0.04 2.12 2.17 2zc1A1 VAL 241 HG13 0.16 -0.01 -0.30 -0.04 0.97 0.79 2zc1A1 VAL 241 HG23 -0.01 -0.04 -0.36 -0.04 0.95 0.50 2zc1A1 ILE 242 H 0.04 0.73 0.24 -0.55 8.25 8.70 2zc1A1 ILE 242 HA 0.02 0.16 0.88 -0.75 4.18 4.49 2zc1A1 ILE 242 HB -0.01 0.08 0.14 -0.04 1.89 2.06 2zc1A1 ILE 242 HG12 0.01 -0.06 -0.05 -0.04 1.49 1.36 2zc1A1 ILE 242 HG13 0.01 0.08 -0.21 -0.04 1.21 1.05 2zc1A1 ILE 242 HG23 -0.00 -0.01 0.08 -0.04 0.93 0.96 2zc1A1 ILE 242 HD13 -0.01 -0.02 -0.06 -0.04 0.88 0.75 2zc1A1 LEU 244 HA -0.05 -0.13 0.30 -0.75 4.35 3.72 2zc1A1 LEU 244 HB2 -0.31 0.07 -0.04 -0.04 1.64 1.31 2zc1A1 LEU 244 HB3 -0.82 -0.12 -0.08 -0.04 1.64 0.58 2zc1A1 LEU 244 HG -0.21 0.09 -0.30 -0.04 1.64 1.18 2zc1A1 LEU 244 HD13 -0.84 0.00 -0.11 -0.04 0.93 -0.06 2zc1A1 LEU 244 HD23 -0.21 -0.02 -0.13 -0.04 0.89 0.49 2zc1A1 ALA 245 H 0.18 0.18 0.16 -0.55 8.40 8.37 2zc1A1 ALA 245 HA 0.26 0.24 0.89 -0.75 4.34 4.98 2zc1A1 ALA 245 HB3 0.09 0.01 -0.06 -0.04 1.41 1.41 2zc1A1 SER 246 H 0.28 0.54 0.25 -0.55 8.46 8.97 2zc1A1 SER 246 HA 0.21 0.03 1.10 -0.75 4.49 5.08 2zc1A1 SER 246 HB2 0.03 -0.03 0.16 -0.04 3.95 4.07 2zc1A1 SER 246 HB3 0.11 0.03 -0.06 -0.04 3.93 3.97 2zc1A1 SER 247 H 0.13 0.08 0.31 -0.55 8.46 8.44 2zc1A1 SER 247 HA 0.14 0.10 0.63 -0.75 4.49 4.60 2zc1A1 SER 247 HB2 0.11 0.18 0.18 -0.04 3.95 4.38 2zc1A1 SER 247 HB3 0.14 -0.03 0.19 -0.04 3.93 4.19 2zc1A1 ARG 248 H 0.06 0.08 0.16 -0.55 8.46 8.21 2zc1A1 ARG 248 HA -0.01 0.25 0.44 -0.75 4.34 4.26 2zc1A1 ARG 248 HB2 -0.00 -0.03 0.03 -0.04 1.90 1.86 2zc1A1 ARG 248 HB3 0.02 -0.10 0.13 -0.04 1.80 1.81 2zc1A1 ARG 248 HG2 -0.02 -0.01 -0.10 -0.04 1.67 1.50 2zc1A1 ARG 248 HG3 -0.03 0.13 -0.05 -0.04 1.67 1.67 2zc1A1 ARG 248 HD2 -0.00 -0.07 -0.14 -0.04 3.22 2.97 2zc1A1 ARG 248 HD3 -0.02 0.04 -0.08 -0.04 3.22 3.12 2zc1A1 ASP 249 H 0.03 0.00 -0.00 -0.55 8.40 7.88 2zc1A1 ASP 249 HA 0.01 0.20 0.50 -0.75 4.63 4.58 2zc1A1 ASP 249 HB2 0.02 -0.05 0.04 -0.04 2.71 2.68 2zc1A1 ASP 249 HB3 0.01 0.05 0.09 -0.04 2.70 2.81 2zc1A1 ALA 250 H 0.02 0.18 -0.36 -0.55 8.40 7.70 2zc1A1 ALA 250 HA -0.01 0.12 0.32 -0.75 4.34 4.02 2zc1A1 ALA 250 HB3 0.00 0.06 -0.17 -0.04 1.41 1.26 2zc1A1 ILE 251 H -0.06 0.28 0.04 -0.55 8.25 7.97 2zc1A1 ILE 251 HA -0.06 -0.02 0.76 -0.75 4.18 4.11 2zc1A1 ILE 251 HB -0.21 0.05 0.15 -0.04 1.89 1.84 2zc1A1 ILE 251 HG12 -0.18 0.02 -0.05 -0.04 1.49 1.24 2zc1A1 ILE 251 HG13 -0.13 -0.05 -0.03 -0.04 1.21 0.96 2zc1A1 ILE 251 HG23 -0.59 0.02 -0.10 -0.04 0.93 0.22 2zc1A1 ILE 251 HD13 -0.39 0.02 -0.17 -0.04 0.88 0.30 2zc1A1 THR 252 H 0.06 0.02 0.07 -0.55 8.28 7.88 2zc1A1 THR 252 HA 0.03 0.22 0.31 -0.75 4.39 4.21 2zc1A1 THR 252 HB 0.09 0.11 0.15 -0.04 4.32 4.63 2zc1A1 THR 252 HG23 0.08 0.02 0.05 -0.04 1.22 1.34 2zc1A1 PRO 253 HA 0.03 0.15 0.43 -0.51 4.44 4.54 2zc1A1 PRO 253 HB2 0.09 -0.02 0.08 -0.04 2.28 2.38 2zc1A1 PRO 253 HB3 0.04 0.11 0.08 -0.04 2.02 2.21 2zc1A1 PRO 253 HG2 0.04 0.09 0.09 -0.04 2.03 2.20 2zc1A1 PRO 253 HG3 0.02 0.12 0.09 -0.04 2.03 2.22 2zc1A1 PRO 253 HD2 0.07 0.06 0.21 -0.04 3.68 3.98 2zc1A1 PRO 253 HD3 0.03 0.19 0.18 -0.04 3.65 4.01 2zc1A1 TYR 254 H 0.23 0.10 -0.15 -0.55 8.29 7.93 2zc1A1 TYR 254 HA 0.12 0.12 0.38 -0.75 4.56 4.43 2zc1A1 TYR 254 HB2 0.11 0.07 0.08 -0.04 3.06 3.27 2zc1A1 TYR 254 HB3 0.11 -0.14 0.08 -0.04 2.98 3.00 2zc1A1 TYR 254 HD2 0.16 -0.04 -0.09 -0.04 7.15 7.13 2zc1A1 TYR 254 HE2 0.18 0.06 -0.12 -0.04 6.85 6.93 2zc1A1 GLU 255 H 0.27 -0.03 -0.20 -0.55 8.60 8.09 2zc1A1 GLU 255 HA 0.24 0.08 0.46 -0.75 4.29 4.32 2zc1A1 GLU 255 HB2 0.10 0.02 0.14 -0.04 2.09 2.31 2zc1A1 GLU 255 HB3 0.23 0.15 0.12 -0.04 1.99 2.45 2zc1A1 GLU 255 HG2 0.26 0.29 0.21 -0.04 2.34 3.06 2zc1A1 GLU 255 HG3 0.38 -0.10 0.12 -0.04 2.34 2.71 2zc1A1 GLN 256 H 0.06 0.64 -0.22 -0.55 8.47 8.40 2zc1A1 GLN 256 HA 0.02 -0.00 0.35 -0.75 4.36 3.98 2zc1A1 GLN 256 HB2 -0.00 0.09 0.06 -0.04 2.15 2.26 2zc1A1 GLN 256 HB3 -0.02 -0.00 0.04 -0.04 2.02 2.00 2zc1A1 GLN 256 HG2 -0.13 -0.14 -0.13 -0.04 2.40 1.96 2zc1A1 GLN 256 HG3 -0.03 -0.00 -0.29 -0.04 2.39 2.04 2zc1A1 GLN 256 HE21 -0.08 -0.03 0.00 -0.04 6.97 6.83 2zc1A1 GLN 256 HE22 -0.09 0.37 0.04 -0.04 7.69 7.97 2zc1A1 LEU 257 H 0.00 0.42 -0.40 -0.55 8.37 7.84 2zc1A1 LEU 257 HA -0.12 0.02 0.45 -0.75 4.35 3.94 2zc1A1 LEU 257 HB2 -0.48 0.17 0.13 -0.04 1.64 1.42 2zc1A1 LEU 257 HB3 -0.48 -0.11 -0.04 -0.04 1.64 0.96 2zc1A1 LEU 257 HG -0.06 0.23 0.12 -0.04 1.64 1.89 2zc1A1 LEU 257 HD13 -0.12 -0.01 0.02 -0.04 0.93 0.78 2zc1A1 LEU 257 HD23 -0.10 -0.04 0.04 -0.04 0.89 0.75 2zc1A1 PHE 258 H 0.18 0.34 -0.12 -0.55 8.34 8.18 2zc1A1 PHE 258 HA -0.11 0.03 0.56 -0.75 4.62 4.35 2zc1A1 PHE 258 HB2 0.05 0.14 0.20 -0.04 3.15 3.50 2zc1A1 PHE 258 HB3 -0.05 0.01 0.10 -0.04 3.06 3.08 2zc1A1 PHE 258 HD2 -0.23 0.09 0.11 -0.04 7.28 7.22 2zc1A1 PHE 258 HE2 -1.16 -0.02 -0.04 -0.04 7.38 6.11 2zc1A1 PHE 258 HZ -0.60 -0.07 -0.02 -0.04 7.32 6.58 2zc1A1 PHE 259 H 0.49 0.37 -0.05 -0.55 8.34 8.59 2zc1A1 PHE 259 HA 0.05 0.09 0.40 -0.75 4.62 4.41 2zc1A1 PHE 259 HB2 0.03 -0.01 0.12 -0.04 3.15 3.25 2zc1A1 PHE 259 HB3 0.01 0.06 -0.09 -0.04 3.06 3.00 2zc1A1 PHE 259 HD2 0.05 0.12 -0.05 -0.04 7.28 7.37 2zc1A1 PHE 259 HE2 0.04 0.02 -0.12 -0.04 7.38 7.28 2zc1A1 PHE 259 HZ 0.05 -0.01 -0.18 -0.04 7.32 7.14 2zc1A1 ARG 260 H 0.12 0.58 -0.12 -0.55 8.46 8.48 2zc1A1 ARG 260 HA 0.05 0.10 0.45 -0.75 4.34 4.18 2zc1A1 ARG 260 HB2 -0.02 0.03 0.16 -0.04 1.90 2.03 2zc1A1 ARG 260 HB3 -0.02 -0.02 0.03 -0.04 1.80 1.74 2zc1A1 ARG 260 HG2 0.03 0.02 0.02 -0.04 1.67 1.69 2zc1A1 ARG 260 HG3 0.03 0.15 0.08 -0.04 1.67 1.89 2zc1A1 ARG 260 HD2 -0.02 0.01 0.00 -0.04 3.22 3.18 2zc1A1 ARG 260 HD3 -0.01 -0.01 -0.01 -0.04 3.22 3.15 2zc1A1 ALA 261 H -0.03 0.44 -0.13 -0.55 8.40 8.13 2zc1A1 ALA 261 HA 0.04 0.02 0.48 -0.75 4.34 4.13 2zc1A1 ALA 261 HB3 -0.06 0.00 0.10 -0.04 1.41 1.41 2zc1A1 ALA 262 H 0.02 0.65 -0.17 -0.55 8.40 8.35 2zc1A1 ALA 262 HA 0.02 -0.01 0.42 -0.75 4.34 4.02 2zc1A1 ALA 262 HB3 -0.05 0.01 0.06 -0.04 1.41 1.40 2zc1A1 ALA 263 H 0.02 0.55 -0.16 -0.55 8.40 8.26 2zc1A1 ALA 263 HA 0.01 0.03 0.41 -0.75 4.34 4.03 2zc1A1 ALA 263 HB3 0.02 0.04 0.06 -0.04 1.41 1.49 2zc1A1 ARG 264 H 0.03 0.40 -0.23 -0.55 8.46 8.11 2zc1A1 ARG 264 HA -0.00 0.07 0.41 -0.75 4.34 4.06 2zc1A1 ARG 264 HB2 0.07 0.12 0.21 -0.04 1.90 2.26 2zc1A1 ARG 264 HB3 -0.12 -0.06 -0.00 -0.04 1.80 1.57 2zc1A1 ARG 264 HG2 -0.09 0.02 0.05 -0.04 1.67 1.61 2zc1A1 ARG 264 HG3 -0.07 0.16 0.09 -0.04 1.67 1.80 2zc1A1 ARG 264 HD2 -0.58 -0.01 0.00 -0.04 3.22 2.59 2zc1A1 ARG 264 HD3 -0.24 -0.02 0.00 -0.04 3.22 2.93 2zc1A1 VAL 265 H 0.13 0.47 -0.09 -0.55 8.24 8.20 2zc1A1 VAL 265 HA 0.13 0.00 0.45 -0.75 4.13 3.96 2zc1A1 VAL 265 HB 0.01 0.10 0.09 -0.04 2.12 2.28 2zc1A1 VAL 265 HG13 -0.05 -0.01 -0.16 -0.04 0.97 0.71 2zc1A1 VAL 265 HG23 -0.05 -0.00 0.04 -0.04 0.95 0.90 2zc1A1 GLN 266 H 0.01 0.63 -0.22 -0.55 8.47 8.35 2zc1A1 GLN 266 HA -0.05 -0.02 0.38 -0.75 4.36 3.92 2zc1A1 GLN 266 HB2 -0.01 0.13 0.11 -0.04 2.15 2.33 2zc1A1 GLN 266 HB3 -0.01 0.02 0.09 -0.04 2.02 2.08 2zc1A1 GLN 266 HG2 -0.03 0.39 -0.02 -0.04 2.40 2.70 2zc1A1 GLN 266 HG3 -0.02 -0.09 -0.07 -0.04 2.39 2.17 2zc1A1 GLN 266 HE21 -0.02 -0.06 -0.03 -0.04 6.97 6.82 2zc1A1 GLN 266 HE22 -0.03 0.51 -0.32 -0.04 7.69 7.81 2zc1A1 ARG 267 H 0.00 0.59 -0.12 -0.55 8.46 8.39 2zc1A1 ARG 267 HA -0.01 0.05 0.46 -0.75 4.34 4.09 2zc1A1 ARG 267 HB2 0.00 0.04 0.16 -0.04 1.90 2.07 2zc1A1 ARG 267 HB3 -0.00 -0.08 0.04 -0.04 1.80 1.72 2zc1A1 ARG 267 HG2 -0.00 0.11 0.03 -0.04 1.67 1.77 2zc1A1 ARG 267 HG3 -0.00 0.02 -0.08 -0.04 1.67 1.57 2zc1A1 ARG 267 HD2 -0.01 0.08 0.08 -0.04 3.22 3.34 2zc1A1 ARG 267 HD3 -0.01 -0.05 -0.14 -0.04 3.22 2.98 2zc1A1 GLU 268 H 0.02 0.37 -0.24 -0.55 8.60 8.20 2zc1A1 GLU 268 HA 0.01 0.07 0.50 -0.75 4.29 4.11 2zc1A1 GLU 268 HB2 0.06 0.03 0.16 -0.04 2.09 2.30 2zc1A1 GLU 268 HB3 0.04 -0.07 0.03 -0.04 1.99 1.95 2zc1A1 GLU 268 HG2 0.04 -0.05 0.02 -0.04 2.34 2.30 2zc1A1 GLU 268 HG3 0.06 0.16 0.08 -0.04 2.34 2.60 2zc1A1 THR 269 H -0.06 0.46 0.00 -0.55 8.28 8.14 2zc1A1 THR 269 HA -0.08 0.25 1.04 -0.75 4.39 4.85 2zc1A1 THR 269 HB -0.28 0.01 0.03 -0.04 4.32 4.05 2zc1A1 THR 269 HG23 -0.05 -0.01 -0.09 -0.04 1.22 1.03 2zc1A1 GLY 270 H -0.10 0.51 0.10 -0.55 8.43 8.40 2zc1A1 GLY 270 HA2 -0.05 0.10 0.37 -0.51 4.01 3.92 2zc1A1 GLY 270 HA3 -0.06 -0.10 0.56 -0.51 4.01 3.89 2zc1A1 VAL 271 H -0.28 -0.07 -0.29 -0.55 8.24 7.05 2zc1A1 VAL 271 HA 0.04 0.14 0.35 -0.75 4.13 3.91 2zc1A1 VAL 271 HB -0.21 -0.03 -0.04 -0.04 2.12 1.80 2zc1A1 VAL 271 HG13 -0.05 -0.03 -0.21 -0.04 0.97 0.63 2zc1A1 VAL 271 HG23 0.10 0.04 -0.17 -0.04 0.95 0.89 2zc1A1 PRO 272 HA -0.01 0.25 0.70 -0.51 4.44 4.87 2zc1A1 PRO 272 HB2 0.21 -0.18 0.06 -0.04 2.28 2.33 2zc1A1 PRO 272 HB3 -0.10 0.11 0.10 -0.04 2.02 2.09 2zc1A1 PRO 272 HG2 0.27 -0.03 0.25 -0.04 2.03 2.48 2zc1A1 PRO 272 HG3 0.07 0.24 0.26 -0.04 2.03 2.57 2zc1A1 PRO 272 HD2 0.18 0.26 0.32 -0.04 3.68 4.40 2zc1A1 PRO 272 HD3 0.30 0.08 0.27 -0.04 3.65 4.27 2zc1A1 ILE 273 H -0.02 0.84 0.43 -0.55 8.25 8.95 2zc1A1 ILE 273 HA 0.01 0.13 1.05 -0.75 4.18 4.61 2zc1A1 ILE 273 HB -0.03 -0.02 0.10 -0.04 1.89 1.90 2zc1A1 ILE 273 HG12 -0.04 -0.06 -0.07 -0.04 1.49 1.28 2zc1A1 ILE 273 HG13 -0.02 0.17 -0.30 -0.04 1.21 1.01 2zc1A1 ILE 273 HG23 -0.09 -0.03 -0.25 -0.04 0.93 0.52 2zc1A1 ILE 273 HD13 -0.05 -0.02 -0.18 -0.04 0.88 0.59 2zc1A1 ILE 274 H 0.03 0.72 0.33 -0.55 8.25 8.78 2zc1A1 ILE 274 HA 0.06 0.23 1.02 -0.75 4.18 4.74 2zc1A1 ILE 274 HB 0.13 -0.09 0.02 -0.04 1.89 1.92 2zc1A1 ILE 274 HG12 0.05 0.04 -0.09 -0.04 1.49 1.45 2zc1A1 ILE 274 HG13 0.04 0.01 -0.29 -0.04 1.21 0.92 2zc1A1 ILE 274 HG23 0.26 0.01 -0.20 -0.04 0.93 0.96 2zc1A1 ILE 274 HD13 -0.07 -0.02 -0.17 -0.04 0.88 0.58 2zc1A1 THR 275 H 0.04 0.25 0.28 -0.55 8.28 8.31 2zc1A1 THR 275 HA 0.05 0.63 1.33 -0.75 4.39 5.64 2zc1A1 THR 275 HB 0.06 -0.03 -0.04 -0.04 4.32 4.26 2zc1A1 THR 275 HG23 -0.04 0.08 -0.35 -0.04 1.22 0.87 2zc1A1 HIS 276 H 0.19 0.59 0.43 -0.55 8.41 9.07 2zc1A1 HIS 276 HA -0.54 0.07 0.74 -0.75 4.63 4.15 2zc1A1 HIS 276 HB2 0.30 0.07 0.01 -0.04 3.26 3.60 2zc1A1 HIS 276 HB3 0.19 -0.01 0.24 -0.04 3.20 3.58 2zc1A1 HIS 276 HD2 -0.18 -0.10 -0.34 -0.04 6.97 6.31 2zc1A1 HIS 276 HE1 -0.06 0.01 -0.07 -0.04 7.75 7.59 2zc1A1 THR 277 H -0.32 0.25 0.02 -0.55 8.28 7.68 2zc1A1 THR 277 HA -0.01 0.13 0.82 -0.75 4.39 4.58 2zc1A1 THR 277 HB -0.01 0.20 -0.07 -0.04 4.32 4.40 2zc1A1 THR 277 HG23 0.01 -0.03 -0.26 -0.04 1.22 0.89 2zc1A1 GLN 278 H -0.09 0.29 -0.04 -0.55 8.47 8.09 2zc1A1 GLN 278 HA -0.28 0.13 0.83 -0.75 4.36 4.29 2zc1A1 GLN 278 HB2 -0.26 0.13 0.06 -0.04 2.15 2.03 2zc1A1 GLN 278 HB3 -0.08 -0.05 -0.21 -0.04 2.02 1.64 2zc1A1 GLN 278 HG2 -0.02 -0.21 0.04 -0.04 2.40 2.16 2zc1A1 GLN 278 HG3 -0.05 0.09 -0.23 -0.04 2.39 2.15 2zc1A1 GLN 278 HE21 0.08 0.06 0.00 -0.04 6.97 7.07 2zc1A1 GLN 278 HE22 0.03 0.01 -0.01 -0.04 7.69 7.69 2zc1A1 GLU 279 H -0.13 0.20 0.17 -0.55 8.60 8.29 2zc1A1 GLU 279 HA -0.10 0.10 0.34 -0.75 4.29 3.88 2zc1A1 GLU 279 HB2 -0.05 0.01 -0.22 -0.04 2.09 1.78 2zc1A1 GLU 279 HB3 -0.06 0.06 0.18 -0.04 1.99 2.13 2zc1A1 GLU 279 HG2 -0.05 0.13 0.06 -0.04 2.34 2.45 2zc1A1 GLU 279 HG3 -0.05 -0.08 0.02 -0.04 2.34 2.19 2zc1A1 GLY 280 H -0.11 0.09 -0.32 -0.55 8.43 7.54 2zc1A1 GLY 280 HA2 -0.16 -0.01 0.05 -0.51 4.01 3.38 2zc1A1 GLY 280 HA3 -0.23 0.19 0.04 -0.51 4.01 3.51 2zc1A1 GLN 281 H -0.06 0.31 -0.34 -0.55 8.47 7.83 2zc1A1 GLN 281 HA -0.01 0.12 0.90 -0.75 4.36 4.62 2zc1A1 GLN 281 HB2 -0.03 0.09 0.08 -0.04 2.15 2.25 2zc1A1 GLN 281 HB3 0.00 -0.03 0.11 -0.04 2.02 2.06 2zc1A1 GLN 281 HG2 -0.11 -0.01 -0.00 -0.04 2.40 2.24 2zc1A1 GLN 281 HG3 -0.10 0.18 -0.29 -0.04 2.39 2.13 2zc1A1 GLN 281 HE21 -0.01 -0.06 -0.02 -0.04 6.97 6.83 2zc1A1 GLN 281 HE22 -0.00 -0.05 0.03 -0.04 7.69 7.63 2zc1A1 GLN 282 H 0.14 0.16 0.11 -0.55 8.47 8.34 2zc1A1 GLN 282 HA 0.04 -0.04 0.28 -0.75 4.36 3.89 2zc1A1 GLN 282 HB2 0.03 0.19 0.10 -0.04 2.15 2.43 2zc1A1 GLN 282 HB3 -0.01 -0.11 0.06 -0.04 2.02 1.92 2zc1A1 GLN 282 HG2 0.02 0.13 -0.51 -0.04 2.40 2.00 2zc1A1 GLN 282 HG3 0.00 0.04 -0.32 -0.04 2.39 2.07 2zc1A1 GLN 282 HE21 0.01 0.03 -0.18 -0.04 6.97 6.78 2zc1A1 GLN 282 HE22 0.01 0.51 -0.08 -0.04 7.69 8.09 2zc1A1 GLY 283 H 0.19 0.13 -0.40 -0.55 8.43 7.80 2zc1A1 GLY 283 HA2 -0.05 0.10 0.28 -0.51 4.01 3.83 2zc1A1 GLY 283 HA3 -0.25 0.11 0.17 -0.51 4.01 3.53 2zc1A1 PRO 284 HA -0.10 0.19 0.41 -0.51 4.44 4.42 2zc1A1 PRO 284 HB2 -0.03 -0.03 -0.04 -0.04 2.28 2.14 2zc1A1 PRO 284 HB3 0.00 0.14 -0.07 -0.04 2.02 2.06 2zc1A1 PRO 284 HG2 -0.15 0.03 0.02 -0.04 2.03 1.89 2zc1A1 PRO 284 HG3 -0.35 0.15 -0.04 -0.04 2.03 1.75 2zc1A1 PRO 284 HD2 -0.08 -0.05 -0.01 -0.04 3.68 3.51 2zc1A1 PRO 284 HD3 -0.86 0.12 0.06 -0.04 3.65 2.92 2zc1A1 GLN 285 H -0.05 0.03 -0.36 -0.55 8.47 7.55 2zc1A1 GLN 285 HA -0.06 0.08 0.35 -0.75 4.36 3.97 2zc1A1 GLN 285 HB2 -0.03 0.01 0.06 -0.04 2.15 2.14 2zc1A1 GLN 285 HB3 -0.07 -0.00 -0.04 -0.04 2.02 1.87 2zc1A1 GLN 285 HG2 -0.02 0.01 0.01 -0.04 2.40 2.35 2zc1A1 GLN 285 HG3 -0.02 0.05 0.00 -0.04 2.39 2.38 2zc1A1 GLN 285 HE21 0.03 0.00 0.00 -0.04 6.97 6.96 2zc1A1 GLN 285 HE22 0.01 0.05 -0.01 -0.04 7.69 7.70 2zc1A1 GLN 286 H -0.04 0.59 -0.23 -0.55 8.47 8.24 2zc1A1 GLN 286 HA 0.05 -0.02 0.46 -0.75 4.36 4.09 2zc1A1 GLN 286 HB2 0.03 0.15 0.12 -0.04 2.15 2.41 2zc1A1 GLN 286 HB3 0.19 0.02 -0.13 -0.04 2.02 2.06 2zc1A1 GLN 286 HG2 0.30 -0.09 -0.04 -0.04 2.40 2.52 2zc1A1 GLN 286 HG3 0.07 0.07 -0.01 -0.04 2.39 2.47 2zc1A1 GLN 286 HE21 0.19 0.34 -0.07 -0.04 6.97 7.39 2zc1A1 GLN 286 HE22 0.25 -0.17 -0.02 -0.04 7.69 7.72 2zc1A1 ALA 287 H -0.13 0.45 -0.15 -0.55 8.40 8.03 2zc1A1 ALA 287 HA -0.09 0.06 0.34 -0.75 4.34 3.89 2zc1A1 ALA 287 HB3 -0.27 0.03 0.10 -0.04 1.41 1.23 2zc1A1 GLU 288 H -0.40 0.60 -0.08 -0.55 8.60 8.16 2zc1A1 GLU 288 HA -0.23 0.07 0.42 -0.75 4.29 3.80 2zc1A1 GLU 288 HB2 -0.09 0.01 0.07 -0.04 2.09 2.04 2zc1A1 GLU 288 HB3 -0.11 0.00 0.14 -0.04 1.99 1.98 2zc1A1 GLU 288 HG2 0.01 -0.06 -0.04 -0.04 2.34 2.21 2zc1A1 GLU 288 HG3 -0.02 0.00 -0.27 -0.04 2.34 2.01 2zc1A1 LEU 289 H -0.07 0.54 -0.17 -0.55 8.37 8.12 2zc1A1 LEU 289 HA -0.01 0.00 0.35 -0.75 4.35 3.93 2zc1A1 LEU 289 HB2 -0.06 -0.01 0.13 -0.04 1.64 1.65 2zc1A1 LEU 289 HB3 0.01 0.08 0.16 -0.04 1.64 1.85 2zc1A1 LEU 289 HG 0.09 0.03 -0.25 -0.04 1.64 1.48 2zc1A1 LEU 289 HD13 -0.02 -0.01 0.00 -0.04 0.93 0.86 2zc1A1 LEU 289 HD23 -0.27 -0.03 -0.04 -0.04 0.89 0.51 2zc1A1 LEU 290 H 0.06 0.63 -0.13 -0.55 8.37 8.38 2zc1A1 LEU 290 HA 0.08 -0.01 0.37 -0.75 4.35 4.04 2zc1A1 LEU 290 HB2 0.03 0.11 0.05 -0.04 1.64 1.79 2zc1A1 LEU 290 HB3 0.02 0.01 -0.11 -0.04 1.64 1.51 2zc1A1 LEU 290 HG 0.29 -0.00 0.02 -0.04 1.64 1.90 2zc1A1 LEU 290 HD13 -0.04 -0.01 -0.17 -0.04 0.93 0.68 2zc1A1 LEU 290 HD23 0.00 -0.02 -0.06 -0.04 0.89 0.77 2zc1A1 THR 291 H -0.02 0.55 -0.15 -0.55 8.28 8.12 2zc1A1 THR 291 HA 0.02 0.28 0.53 -0.75 4.39 4.47 2zc1A1 THR 291 HB 0.05 -0.04 0.06 -0.04 4.32 4.34 2zc1A1 THR 291 HG23 0.03 0.04 0.04 -0.04 1.22 1.30 2zc1A1 SER 292 H 0.01 0.59 -0.16 -0.55 8.46 8.36 2zc1A1 SER 292 HA 0.02 0.03 0.40 -0.75 4.49 4.17 2zc1A1 SER 292 HB2 0.01 -0.11 0.09 -0.04 3.95 3.90 2zc1A1 SER 292 HB3 0.01 0.05 0.12 -0.04 3.93 4.07 2zc1A1 LEU 293 H 0.02 0.33 -0.46 -0.55 8.37 7.72 2zc1A1 LEU 293 HA 0.01 0.03 0.54 -0.75 4.35 4.17 2zc1A1 LEU 293 HB2 0.03 0.11 0.11 -0.04 1.64 1.85 2zc1A1 LEU 293 HB3 0.02 -0.08 0.12 -0.04 1.64 1.66 2zc1A1 LEU 293 HG 0.02 0.08 -0.01 -0.04 1.64 1.69 2zc1A1 LEU 293 HD13 0.07 -0.04 -0.14 -0.04 0.93 0.78 2zc1A1 LEU 293 HD23 0.00 -0.02 0.01 -0.04 0.89 0.84 2zc1A1 GLY 294 H 0.01 0.42 -0.62 -0.55 8.43 7.69 2zc1A1 GLY 294 HA2 0.01 0.04 0.25 -0.51 4.01 3.80 2zc1A1 GLY 294 HA3 0.00 0.04 0.57 -0.51 4.01 4.11 2zc1A1 ALA 295 H 0.01 0.47 0.02 -0.55 8.40 8.36 2zc1A1 ALA 295 HA -0.00 0.07 0.47 -0.75 4.34 4.12 2zc1A1 ALA 295 HB3 0.00 -0.03 -0.09 -0.04 1.41 1.25 2zc1A1 ASP 296 H -0.01 0.15 0.05 -0.55 8.40 8.05 2zc1A1 ASP 296 HA 0.00 0.16 0.46 -0.75 4.63 4.50 2zc1A1 ASP 296 HB2 -0.01 0.11 0.12 -0.04 2.71 2.89 2zc1A1 ASP 296 HB3 -0.01 0.03 0.12 -0.04 2.70 2.80 2zc1A1 PRO 297 HA 0.01 -0.00 0.28 -0.51 4.44 4.22 2zc1A1 PRO 297 HB2 0.03 0.13 -0.31 -0.04 2.28 2.09 2zc1A1 PRO 297 HB3 0.04 0.09 0.04 -0.04 2.02 2.14 2zc1A1 PRO 297 HG2 0.01 -0.02 0.04 -0.04 2.03 2.02 2zc1A1 PRO 297 HG3 0.03 0.06 0.08 -0.04 2.03 2.16 2zc1A1 PRO 297 HD2 0.01 0.03 0.22 -0.04 3.68 3.91 2zc1A1 PRO 297 HD3 0.02 0.23 0.23 -0.04 3.65 4.09 2zc1A1 ALA 298 H -0.00 0.05 -0.39 -0.55 8.40 7.51 2zc1A1 ALA 298 HA -0.02 0.18 0.46 -0.75 4.34 4.22 2zc1A1 ALA 298 HB3 -0.01 -0.01 -0.16 -0.04 1.41 1.19 2zc1A1 ARG 299 H -0.03 0.53 -0.47 -0.55 8.46 7.94 2zc1A1 ARG 299 HA -0.09 0.30 0.94 -0.75 4.34 4.73 2zc1A1 ARG 299 HB2 -0.02 -0.02 0.04 -0.04 1.90 1.85 2zc1A1 ARG 299 HB3 -0.03 -0.01 0.16 -0.04 1.80 1.87 2zc1A1 ARG 299 HG2 -0.02 -0.20 -0.24 -0.04 1.67 1.17 2zc1A1 ARG 299 HG3 -0.01 0.03 -0.04 -0.04 1.67 1.61 2zc1A1 ARG 299 HD2 -0.01 -0.00 0.04 -0.04 3.22 3.20 2zc1A1 ARG 299 HD3 -0.06 0.15 0.12 -0.04 3.22 3.39 2zc1A1 ILE 300 H -0.04 0.40 -0.18 -0.55 8.25 7.88 2zc1A1 ILE 300 HA -0.03 0.26 1.09 -0.75 4.18 4.75 2zc1A1 ILE 300 HB -0.01 0.07 0.10 -0.04 1.89 2.01 2zc1A1 ILE 300 HG12 -0.02 -0.02 -0.19 -0.04 1.49 1.22 2zc1A1 ILE 300 HG13 -0.02 0.17 -0.40 -0.04 1.21 0.93 2zc1A1 ILE 300 HG23 -0.01 -0.04 -0.30 -0.04 0.93 0.53 2zc1A1 ILE 300 HD13 -0.00 -0.04 -0.35 -0.04 0.88 0.44 2zc1A1 MET 301 H -0.01 0.73 0.25 -0.55 8.47 8.89 2zc1A1 MET 301 HA 0.00 0.22 0.78 -0.75 4.52 4.77 2zc1A1 MET 301 HB2 -0.02 0.10 -0.18 -0.04 2.15 2.01 2zc1A1 MET 301 HB3 0.08 -0.05 0.11 -0.04 2.03 2.13 2zc1A1 MET 301 HG2 0.07 -0.11 -0.48 -0.04 2.63 2.07 2zc1A1 MET 301 HG3 0.06 0.04 -0.35 -0.04 2.56 2.26 2zc1A1 MET 301 HE3 0.20 -0.01 -0.18 -0.04 2.10 2.06 2zc1A1 ILE 302 H 0.00 0.75 0.15 -0.55 8.25 8.60 2zc1A1 ILE 302 HA -0.00 0.04 0.58 -0.75 4.18 4.04 2zc1A1 ILE 302 HB -0.04 -0.00 0.14 -0.04 1.89 1.95 2zc1A1 ILE 302 HG12 -0.02 0.18 -0.06 -0.04 1.49 1.54 2zc1A1 ILE 302 HG13 -0.05 -0.01 -0.05 -0.04 1.21 1.06 2zc1A1 ILE 302 HG23 -0.04 -0.02 -0.14 -0.04 0.93 0.69 2zc1A1 ILE 302 HD13 0.00 -0.01 -0.23 -0.04 0.88 0.61 2zc1A1 GLY 303 H -0.04 0.16 0.04 -0.55 8.43 8.05 2zc1A1 GLY 303 HA2 -0.03 0.05 0.75 -0.51 4.01 4.27 2zc1A1 GLY 303 HA3 -0.14 0.28 0.41 -0.51 4.01 4.05 2zc1A1 HIS 304 H 0.01 0.15 0.17 -0.55 8.41 8.19 2zc1A1 HIS 304 HA -0.13 -0.09 0.35 -0.75 4.63 4.01 2zc1A1 HIS 304 HB2 -0.21 0.07 0.18 -0.04 3.26 3.26 2zc1A1 HIS 304 HB3 -0.18 -0.03 0.26 -0.04 3.20 3.20 2zc1A1 HIS 304 HD2 -0.92 0.11 0.05 -0.04 6.97 6.17 2zc1A1 HIS 304 HE1 -0.53 0.08 -0.08 -0.04 7.75 7.18 2zc1A1 MET 305 H -0.10 0.49 -0.17 -0.55 8.47 8.14 2zc1A1 MET 305 HA -0.07 0.09 0.35 -0.75 4.52 4.13 2zc1A1 MET 305 HB2 -0.26 0.07 -0.10 -0.04 2.15 1.83 2zc1A1 MET 305 HB3 -0.20 -0.02 -0.04 -0.04 2.03 1.73 2zc1A1 MET 305 HG2 -0.07 0.09 -0.33 -0.04 2.63 2.28 2zc1A1 MET 305 HG3 -0.08 0.07 -0.05 -0.04 2.56 2.46 2zc1A1 MET 305 HE3 -0.46 0.01 -0.11 -0.04 2.10 1.50 2zc1A1 ASP 306 H -0.24 -0.01 -0.21 -0.55 8.40 7.39 2zc1A1 ASP 306 HA -0.33 0.19 0.42 -0.75 4.63 4.15 2zc1A1 ASP 306 HB2 0.07 0.06 0.03 -0.04 2.71 2.83 2zc1A1 ASP 306 HB3 0.03 -0.00 0.09 -0.04 2.70 2.77 2zc1A1 GLY 307 H -0.09 0.34 -0.71 -0.55 8.43 7.43 2zc1A1 GLY 307 HA2 -0.07 0.07 0.37 -0.51 4.01 3.86 2zc1A1 GLY 307 HA3 -0.10 -0.05 0.25 -0.51 4.01 3.61 2zc1A1 ASN 308 H -0.05 0.45 -0.46 -0.55 8.53 7.92 2zc1A1 ASN 308 HA -0.15 0.15 0.87 -0.75 4.76 4.87 2zc1A1 ASN 308 HB2 -0.60 0.05 -0.00 -0.04 2.88 2.28 2zc1A1 ASN 308 HB3 -0.30 0.03 0.05 -0.04 2.79 2.53 2zc1A1 ASN 308 HD21 -0.58 -0.10 0.10 -0.04 7.03 6.41 2zc1A1 ASN 308 HD22 -1.27 0.50 0.18 -0.04 7.74 7.11 2zc1A1 THR 309 H -0.02 0.15 0.10 -0.55 8.28 7.97 2zc1A1 THR 309 HA 0.10 0.26 0.81 -0.75 4.39 4.80 2zc1A1 THR 309 HB 0.03 0.00 0.15 -0.04 4.32 4.46 2zc1A1 THR 309 HG23 0.02 0.01 -0.14 -0.04 1.22 1.07 2zc1A1 ASP 310 H 0.08 0.10 -0.10 -0.55 8.40 7.92 2zc1A1 ASP 310 HA 0.07 0.26 0.83 -0.75 4.63 5.04 2zc1A1 ASP 310 HB2 0.03 0.07 0.08 -0.04 2.71 2.85 2zc1A1 ASP 310 HB3 0.05 -0.02 0.20 -0.04 2.70 2.89 2zc1A1 PRO 311 HA 0.23 0.06 0.37 -0.51 4.44 4.60 2zc1A1 PRO 311 HB2 0.06 0.06 -0.01 -0.04 2.28 2.35 2zc1A1 PRO 311 HB3 -0.00 0.09 0.09 -0.04 2.02 2.15 2zc1A1 PRO 311 HG2 0.06 -0.00 0.05 -0.04 2.03 2.10 2zc1A1 PRO 311 HG3 0.04 0.11 0.06 -0.04 2.03 2.19 2zc1A1 PRO 311 HD2 0.06 0.08 0.29 -0.04 3.68 4.06 2zc1A1 PRO 311 HD3 0.04 0.30 0.13 -0.04 3.65 4.08 2zc1A1 ALA 312 H 0.13 0.12 -0.37 -0.55 8.40 7.72 2zc1A1 ALA 312 HA 0.09 0.12 0.40 -0.75 4.34 4.19 2zc1A1 ALA 312 HB3 0.08 0.03 0.03 -0.04 1.41 1.50 2zc1A1 TYR 313 H 0.25 0.34 -0.23 -0.55 8.29 8.10 2zc1A1 TYR 313 HA -0.03 0.04 0.40 -0.75 4.56 4.21 2zc1A1 TYR 313 HB2 -0.04 -0.04 0.11 -0.04 3.06 3.05 2zc1A1 TYR 313 HB3 -0.07 0.22 0.14 -0.04 2.98 3.23 2zc1A1 TYR 313 HD2 -0.42 0.02 -0.06 -0.04 7.15 6.65 2zc1A1 TYR 313 HE2 -0.19 -0.07 -0.05 -0.04 6.85 6.49 2zc1A1 HIS 314 H 0.34 0.20 -0.21 -0.55 8.41 8.19 2zc1A1 HIS 314 HA -0.14 0.04 0.39 -0.75 4.63 4.17 2zc1A1 HIS 314 HB2 -0.00 0.11 0.05 -0.04 3.26 3.38 2zc1A1 HIS 314 HB3 -0.01 0.03 -0.04 -0.04 3.20 3.13 2zc1A1 HIS 314 HD2 -0.11 -0.04 -0.14 -0.04 6.97 6.64 2zc1A1 HIS 314 HE1 0.05 0.09 -0.37 -0.04 7.75 7.47 2zc1A1 ARG 315 H 0.07 0.54 -0.14 -0.55 8.46 8.38 2zc1A1 ARG 315 HA -0.16 0.07 0.36 -0.75 4.34 3.85 2zc1A1 ARG 315 HB2 0.05 0.03 0.10 -0.04 1.90 2.04 2zc1A1 ARG 315 HB3 0.08 0.01 -0.00 -0.04 1.80 1.84 2zc1A1 ARG 315 HG2 -0.00 -0.01 -0.02 -0.04 1.67 1.60 2zc1A1 ARG 315 HG3 0.07 0.29 0.02 -0.04 1.67 2.01 2zc1A1 ARG 315 HD2 0.10 -0.05 -0.06 -0.04 3.22 3.17 2zc1A1 ARG 315 HD3 0.19 0.04 -0.04 -0.04 3.22 3.37 2zc1A1 GLU 316 H -0.03 0.55 -0.23 -0.55 8.60 8.34 2zc1A1 GLU 316 HA -0.03 0.03 0.41 -0.75 4.29 3.95 2zc1A1 GLU 316 HB2 -0.01 0.00 0.10 -0.04 2.09 2.15 2zc1A1 GLU 316 HB3 -0.09 0.07 0.16 -0.04 1.99 2.09 2zc1A1 GLU 316 HG2 -0.02 -0.03 -0.22 -0.04 2.34 2.03 2zc1A1 GLU 316 HG3 -0.00 0.01 0.02 -0.04 2.34 2.33 2zc1A1 THR 317 H -0.18 0.41 -0.28 -0.55 8.28 7.69 2zc1A1 THR 317 HA 0.04 -0.02 0.41 -0.75 4.39 4.06 2zc1A1 THR 317 HB -0.18 0.16 0.06 -0.04 4.32 4.32 2zc1A1 THR 317 HG23 -0.11 0.01 -0.23 -0.04 1.22 0.85 2zc1A1 LEU 318 H -0.08 0.57 -0.11 -0.55 8.37 8.21 2zc1A1 LEU 318 HA 0.00 0.16 0.35 -0.75 4.35 4.11 2zc1A1 LEU 318 HB2 -0.17 0.02 0.08 -0.04 1.64 1.53 2zc1A1 LEU 318 HB3 -0.01 -0.01 -0.02 -0.04 1.64 1.55 2zc1A1 LEU 318 HG -0.10 -0.03 -0.05 -0.04 1.64 1.41 2zc1A1 LEU 318 HD13 -0.65 -0.05 -0.20 -0.04 0.93 -0.01 2zc1A1 LEU 318 HD23 -0.00 0.06 -0.02 -0.04 0.89 0.89 2zc1A1 ARG 319 H -0.02 0.34 -0.46 -0.55 8.46 7.76 2zc1A1 ARG 319 HA -0.00 0.02 0.39 -0.75 4.34 3.99 2zc1A1 ARG 319 HB2 -0.05 0.07 0.12 -0.04 1.90 1.99 2zc1A1 ARG 319 HB3 -0.22 0.13 0.05 -0.04 1.80 1.72 2zc1A1 ARG 319 HG2 -0.17 -0.00 -0.07 -0.04 1.67 1.39 2zc1A1 ARG 319 HG3 -0.05 -0.03 0.05 -0.04 1.67 1.60 2zc1A1 ARG 319 HD2 -0.05 -0.02 -0.00 -0.04 3.22 3.11 2zc1A1 ARG 319 HD3 -0.13 -0.01 -0.00 -0.04 3.22 3.04 2zc1A1 HIS 320 H 0.03 0.36 -0.45 -0.55 8.41 7.81 2zc1A1 HIS 320 HA 0.00 0.06 0.44 -0.75 4.63 4.38 2zc1A1 HIS 320 HB2 -0.02 0.13 0.06 -0.04 3.26 3.39 2zc1A1 HIS 320 HB3 -0.00 0.01 0.06 -0.04 3.20 3.21 2zc1A1 HIS 320 HD2 -0.05 0.14 0.17 -0.04 6.97 7.18 2zc1A1 HIS 320 HE1 -0.01 -0.06 -0.03 -0.04 7.75 7.61 2zc1A1 GLY 321 H 0.05 0.57 -0.46 -0.55 8.43 8.05 2zc1A1 GLY 321 HA2 0.04 0.00 0.27 -0.51 4.01 3.82 2zc1A1 GLY 321 HA3 0.04 0.05 0.55 -0.51 4.01 4.15 2zc1A1 VAL 322 H 0.07 -0.05 -0.29 -0.55 8.24 7.41 2zc1A1 VAL 322 HA 0.01 0.44 0.70 -0.75 4.13 4.53 2zc1A1 VAL 322 HB 0.00 0.08 0.07 -0.04 2.12 2.24 2zc1A1 VAL 322 HG13 0.02 -0.03 -0.07 -0.04 0.97 0.85 2zc1A1 VAL 322 HG23 0.02 -0.02 -0.20 -0.04 0.95 0.70 2zc1A1 SER 323 H -0.00 0.64 0.37 -0.55 8.46 8.92 2zc1A1 SER 323 HA 0.03 0.18 0.87 -0.75 4.49 4.82 2zc1A1 SER 323 HB2 -0.01 0.03 0.11 -0.04 3.95 4.03 2zc1A1 SER 323 HB3 0.03 -0.06 -0.04 -0.04 3.93 3.82 2zc1A1 ILE 324 H 0.07 0.80 0.37 -0.55 8.25 8.95 2zc1A1 ILE 324 HA 0.02 0.23 0.89 -0.75 4.18 4.57 2zc1A1 ILE 324 HB 0.01 -0.10 0.03 -0.04 1.89 1.79 2zc1A1 ILE 324 HG12 0.09 0.21 0.05 -0.04 1.49 1.79 2zc1A1 ILE 324 HG13 0.24 -0.11 -0.13 -0.04 1.21 1.17 2zc1A1 ILE 324 HG23 -0.02 0.02 -0.30 -0.04 0.93 0.58 2zc1A1 ILE 324 HD13 0.19 -0.03 -0.12 -0.04 0.88 0.89 2zc1A1 ALA 325 H 0.03 0.52 0.25 -0.55 8.40 8.66 2zc1A1 ALA 325 HA 0.20 0.28 1.08 -0.75 4.34 5.15 2zc1A1 ALA 325 HB3 0.11 -0.00 -0.21 -0.04 1.41 1.26 2zc1A1 PHE 326 H 0.41 0.87 0.21 -0.55 8.34 9.27 2zc1A1 PHE 326 HA 0.06 -0.14 0.65 -0.75 4.62 4.44 2zc1A1 PHE 326 HB2 0.01 0.16 0.28 -0.04 3.15 3.56 2zc1A1 PHE 326 HB3 0.02 -0.05 0.13 -0.04 3.06 3.12 2zc1A1 PHE 326 HD2 0.03 0.00 -0.07 -0.04 7.28 7.20 2zc1A1 PHE 326 HE2 -0.01 0.06 -0.09 -0.04 7.38 7.30 2zc1A1 PHE 326 HZ -0.25 0.01 -0.20 -0.04 7.32 6.84 2zc1A1 ASP 327 H 0.07 0.08 -0.13 -0.55 8.40 7.86 2zc1A1 ASP 327 HA 0.08 0.21 1.10 -0.75 4.63 5.27 2zc1A1 ASP 327 HB2 0.02 0.07 0.04 -0.04 2.71 2.80 2zc1A1 ASP 327 HB3 0.10 0.07 -0.26 -0.04 2.70 2.57 2zc1A1 ARG 328 H 0.07 0.01 -0.22 -0.55 8.46 7.77 2zc1A1 ARG 328 HA 0.15 0.43 0.46 -0.75 4.34 4.63 2zc1A1 ARG 328 HB2 -0.05 -0.03 0.05 -0.04 1.90 1.82 2zc1A1 ARG 328 HB3 -0.08 0.11 0.12 -0.04 1.80 1.91 2zc1A1 ARG 328 HG2 -0.19 0.17 -0.31 -0.04 1.67 1.29 2zc1A1 ARG 328 HG3 -0.08 -0.27 -0.20 -0.04 1.67 1.07 2zc1A1 ARG 328 HD2 -0.74 -0.06 0.01 -0.04 3.22 2.39 2zc1A1 ARG 328 HD3 -0.26 0.03 -0.01 -0.04 3.22 2.94 2zc1A1 ILE 329 H 0.10 0.51 -0.02 -0.55 8.25 8.29 2zc1A1 ILE 329 HA 0.15 -0.04 0.38 -0.75 4.18 3.91 2zc1A1 ILE 329 HB -0.01 0.09 0.05 -0.04 1.89 1.98 2zc1A1 ILE 329 HG12 0.12 -0.06 -0.02 -0.04 1.49 1.49 2zc1A1 ILE 329 HG13 0.11 -0.09 -0.07 -0.04 1.21 1.12 2zc1A1 ILE 329 HG23 0.06 -0.01 -0.11 -0.04 0.93 0.82 2zc1A1 ILE 329 HD13 0.00 -0.00 0.06 -0.04 0.88 0.90 2zc1A1 GLY 330 H 0.21 0.06 0.06 -0.55 8.43 8.20 2zc1A1 GLY 330 HA2 0.02 -0.10 0.20 -0.51 4.01 3.63 2zc1A1 GLY 330 HA3 0.23 0.37 0.54 -0.51 4.01 4.65 2zc1A1 LEU 331 H 0.10 0.52 -0.31 -0.55 8.37 8.13 2zc1A1 LEU 331 HA -0.20 0.27 0.76 -0.75 4.35 4.42 2zc1A1 LEU 331 HB2 -0.51 0.07 -0.02 -0.04 1.64 1.14 2zc1A1 LEU 331 HB3 -0.20 0.03 0.23 -0.04 1.64 1.65 2zc1A1 LEU 331 HG -0.39 -0.10 -0.02 -0.04 1.64 1.09 2zc1A1 LEU 331 HD13 -1.05 0.04 0.01 -0.04 0.93 -0.11 2zc1A1 LEU 331 HD23 -0.70 -0.00 -0.00 -0.04 0.89 0.15 2zc1A1 GLN 332 H -0.03 0.53 0.16 -0.55 8.47 8.59 2zc1A1 GLN 332 HA -0.03 0.35 0.97 -0.75 4.36 4.90 2zc1A1 GLN 332 HB2 0.01 0.08 0.07 -0.04 2.15 2.27 2zc1A1 GLN 332 HB3 0.01 -0.10 -0.01 -0.04 2.02 1.88 2zc1A1 GLN 332 HG2 0.04 -0.03 -0.17 -0.04 2.40 2.20 2zc1A1 GLN 332 HG3 0.03 0.14 -0.32 -0.04 2.39 2.20 2zc1A1 GLN 332 HE21 0.03 0.01 0.02 -0.04 6.97 7.00 2zc1A1 GLN 332 HE22 0.02 0.14 0.02 -0.04 7.69 7.82 2zc1A1 GLY 333 H -0.03 0.47 -0.09 -0.55 8.43 8.23 2zc1A1 GLY 333 HA2 -0.03 0.18 0.26 -0.51 4.01 3.91 2zc1A1 GLY 333 HA3 -0.02 0.03 0.40 -0.51 4.01 3.90 2zc1A1 MET 334 H -0.09 0.14 -0.78 -0.55 8.47 7.19 2zc1A1 MET 334 HA -0.07 0.04 0.43 -0.75 4.52 4.17 2zc1A1 MET 334 HB2 -0.18 0.11 -0.08 -0.04 2.15 1.97 2zc1A1 MET 334 HB3 -0.19 0.00 0.02 -0.04 2.03 1.82 2zc1A1 MET 334 HG2 -0.25 0.04 -0.07 -0.04 2.63 2.31 2zc1A1 MET 334 HG3 -0.11 -0.02 -0.20 -0.04 2.56 2.19 2zc1A1 MET 334 HE3 -0.08 0.03 -0.09 -0.04 2.10 1.92 2zc1A1 VAL 335 H -0.04 0.21 0.25 -0.55 8.24 8.10 2zc1A1 VAL 335 HA -0.03 0.02 0.35 -0.75 4.13 3.72 2zc1A1 VAL 335 HB -0.02 -0.01 0.18 -0.04 2.12 2.23 2zc1A1 VAL 335 HG13 -0.02 -0.01 0.02 -0.04 0.97 0.92 2zc1A1 VAL 335 HG23 -0.04 -0.02 -0.23 -0.04 0.95 0.63 2zc1A1 GLY 336 H -0.04 0.19 -0.33 -0.55 8.43 7.72 2zc1A1 GLY 336 HA2 -0.03 -0.02 0.24 -0.51 4.01 3.68 2zc1A1 GLY 336 HA3 -0.04 0.17 0.69 -0.51 4.01 4.32 2zc1A1 THR 337 H -0.06 0.26 -0.45 -0.55 8.28 7.47 2zc1A1 THR 337 HA -0.06 0.11 0.38 -0.75 4.39 4.06 2zc1A1 THR 337 HB -0.07 0.11 0.12 -0.04 4.32 4.44 2zc1A1 THR 337 HG23 -0.12 0.04 0.01 -0.04 1.22 1.11 2zc1A1 PRO 338 HA -0.01 0.05 0.48 -0.51 4.44 4.45 2zc1A1 PRO 338 HB2 0.02 0.05 -0.05 -0.04 2.28 2.26 2zc1A1 PRO 338 HB3 0.01 -0.07 0.07 -0.04 2.02 1.99 2zc1A1 PRO 338 HG2 -0.01 0.29 -0.05 -0.04 2.03 2.21 2zc1A1 PRO 338 HG3 -0.02 0.04 -0.03 -0.04 2.03 1.98 2zc1A1 PRO 338 HD2 -0.03 0.09 0.09 -0.04 3.68 3.79 2zc1A1 PRO 338 HD3 -0.05 0.14 0.21 -0.04 3.65 3.91 2zc1A1 THR 339 H 0.01 0.07 0.16 -0.55 8.28 7.98 2zc1A1 THR 339 HA 0.02 0.19 0.60 -0.75 4.39 4.45 2zc1A1 THR 339 HB 0.03 -0.03 0.16 -0.04 4.32 4.44 2zc1A1 THR 339 HG23 0.01 0.06 0.01 -0.04 1.22 1.26 2zc1A1 ASP 340 H 0.06 0.23 0.12 -0.55 8.40 8.26 2zc1A1 ASP 340 HA 0.09 0.12 0.45 -0.75 4.63 4.54 2zc1A1 ASP 340 HB2 0.11 0.03 0.10 -0.04 2.71 2.91 2zc1A1 ASP 340 HB3 0.11 0.07 -0.02 -0.04 2.70 2.82 2zc1A1 ALA 341 H 0.04 0.08 -0.16 -0.55 8.40 7.81 2zc1A1 ALA 341 HA 0.03 0.14 0.38 -0.75 4.34 4.14 2zc1A1 ALA 341 HB3 0.03 0.03 0.03 -0.04 1.41 1.46 2zc1A1 GLU 342 H 0.03 0.03 -0.34 -0.55 8.60 7.77 2zc1A1 GLU 342 HA 0.03 0.11 0.47 -0.75 4.29 4.14 2zc1A1 GLU 342 HB2 0.03 0.10 0.10 -0.04 2.09 2.28 2zc1A1 GLU 342 HB3 0.03 0.07 0.05 -0.04 1.99 2.10 2zc1A1 GLU 342 HG2 0.02 0.08 0.02 -0.04 2.34 2.42 2zc1A1 GLU 342 HG3 0.02 -0.13 0.06 -0.04 2.34 2.25 2zc1A1 ARG 343 H 0.07 0.38 -0.20 -0.55 8.46 8.15 2zc1A1 ARG 343 HA 0.19 0.10 0.43 -0.75 4.34 4.31 2zc1A1 ARG 343 HB2 0.10 0.08 0.15 -0.04 1.90 2.19 2zc1A1 ARG 343 HB3 0.25 -0.05 -0.02 -0.04 1.80 1.94 2zc1A1 ARG 343 HG2 0.13 0.08 -0.01 -0.04 1.67 1.83 2zc1A1 ARG 343 HG3 0.09 0.22 -0.13 -0.04 1.67 1.81 2zc1A1 ARG 343 HD2 0.12 -0.10 -0.10 -0.04 3.22 3.10 2zc1A1 ARG 343 HD3 0.18 -0.07 -0.10 -0.04 3.22 3.19 2zc1A1 LEU 344 H 0.04 0.63 -0.13 -0.55 8.37 8.35 2zc1A1 LEU 344 HA -0.07 0.00 0.37 -0.75 4.35 3.89 2zc1A1 LEU 344 HB2 0.00 0.08 0.09 -0.04 1.64 1.77 2zc1A1 LEU 344 HB3 -0.03 0.00 -0.01 -0.04 1.64 1.57 2zc1A1 LEU 344 HG 0.01 0.15 0.04 -0.04 1.64 1.81 2zc1A1 LEU 344 HD13 -0.00 -0.01 -0.07 -0.04 0.93 0.81 2zc1A1 LEU 344 HD23 -0.05 -0.02 -0.04 -0.04 0.89 0.74 2zc1A1 SER 345 H 0.01 0.35 -0.37 -0.55 8.46 7.91 2zc1A1 SER 345 HA -0.01 0.05 0.45 -0.75 4.49 4.23 2zc1A1 SER 345 HB2 0.01 0.04 0.13 -0.04 3.95 4.09 2zc1A1 SER 345 HB3 0.02 0.12 0.17 -0.04 3.93 4.19 2zc1A1 VAL 346 H 0.02 0.42 -0.12 -0.55 8.24 8.02 2zc1A1 VAL 346 HA -0.03 0.03 0.45 -0.75 4.13 3.83 2zc1A1 VAL 346 HB 0.17 0.11 0.14 -0.04 2.12 2.50 2zc1A1 VAL 346 HG13 -0.40 -0.02 -0.15 -0.04 0.97 0.37 2zc1A1 VAL 346 HG23 0.02 0.07 0.07 -0.04 0.95 1.07 2zc1A1 LEU 347 H -0.12 0.62 -0.07 -0.55 8.37 8.24 2zc1A1 LEU 347 HA -0.48 0.01 0.33 -0.75 4.35 3.46 2zc1A1 LEU 347 HB2 -0.36 0.18 0.12 -0.04 1.64 1.53 2zc1A1 LEU 347 HB3 -0.25 0.05 -0.05 -0.04 1.64 1.35 2zc1A1 LEU 347 HG -1.23 -0.04 -0.04 -0.04 1.64 0.29 2zc1A1 LEU 347 HD13 -0.22 -0.01 -0.09 -0.04 0.93 0.57 2zc1A1 LEU 347 HD23 -0.54 -0.00 -0.06 -0.04 0.89 0.24 2zc1A1 THR 348 H -0.09 0.74 -0.11 -0.55 8.28 8.27 2zc1A1 THR 348 HA -0.06 -0.00 0.46 -0.75 4.39 4.03 2zc1A1 THR 348 HB -0.03 -0.00 0.03 -0.04 4.32 4.28 2zc1A1 THR 348 HG23 -0.05 0.00 0.02 -0.04 1.22 1.16 2zc1A1 THR 349 H -0.03 0.45 -0.31 -0.55 8.28 7.83 2zc1A1 THR 349 HA 0.01 0.04 0.47 -0.75 4.39 4.16 2zc1A1 THR 349 HB -0.00 0.11 0.22 -0.04 4.32 4.61 2zc1A1 THR 349 HG23 0.04 -0.03 -0.11 -0.04 1.22 1.08 2zc1A1 LEU 350 H -0.01 0.62 -0.09 -0.55 8.37 8.34 2zc1A1 LEU 350 HA 0.22 0.04 0.38 -0.75 4.35 4.24 2zc1A1 LEU 350 HB2 -0.02 0.09 0.07 -0.04 1.64 1.74 2zc1A1 LEU 350 HB3 0.07 -0.03 -0.06 -0.04 1.64 1.58 2zc1A1 LEU 350 HG -0.02 0.15 0.05 -0.04 1.64 1.78 2zc1A1 LEU 350 HD13 0.03 -0.02 -0.12 -0.04 0.93 0.78 2zc1A1 LEU 350 HD23 -0.09 -0.01 -0.07 -0.04 0.89 0.69 2zc1A1 LEU 351 H -0.01 0.69 -0.12 -0.55 8.37 8.38 2zc1A1 LEU 351 HA 0.04 -0.11 0.39 -0.75 4.35 3.92 2zc1A1 LEU 351 HB2 -0.03 0.10 0.13 -0.04 1.64 1.80 2zc1A1 LEU 351 HB3 -0.02 -0.06 -0.00 -0.04 1.64 1.52 2zc1A1 LEU 351 HG -0.07 0.12 -0.00 -0.04 1.64 1.65 2zc1A1 LEU 351 HD13 -0.08 -0.02 -0.13 -0.04 0.93 0.65 2zc1A1 LEU 351 HD23 -0.01 -0.03 -0.03 -0.04 0.89 0.78 2zc1A1 GLY 352 H 0.01 0.56 -0.32 -0.55 8.43 8.13 2zc1A1 GLY 352 HA2 -0.01 0.01 0.43 -0.51 4.01 3.94 2zc1A1 GLY 352 HA3 0.00 0.07 0.33 -0.51 4.01 3.90 2zc1A1 GLU 353 H 0.05 0.28 -0.58 -0.55 8.60 7.81 2zc1A1 GLU 353 HA -0.05 0.10 0.68 -0.75 4.29 4.27 2zc1A1 GLU 353 HB2 0.20 0.06 0.12 -0.04 2.09 2.43 2zc1A1 GLU 353 HB3 -0.05 -0.05 0.14 -0.04 1.99 1.98 2zc1A1 GLU 353 HG2 0.03 -0.04 -0.01 -0.04 2.34 2.28 2zc1A1 GLU 353 HG3 0.05 0.09 -0.09 -0.04 2.34 2.35 2zc1A1 GLY 354 H -0.03 0.37 -0.45 -0.55 8.43 7.77 2zc1A1 GLY 354 HA2 -0.05 -0.00 0.31 -0.51 4.01 3.76 2zc1A1 GLY 354 HA3 -0.13 0.09 0.44 -0.51 4.01 3.89 2zc1A1 TYR 355 H 0.11 0.44 -0.08 -0.55 8.29 8.21 2zc1A1 TYR 355 HA 0.01 0.23 0.61 -0.75 4.56 4.65 2zc1A1 TYR 355 HB2 0.01 0.00 -0.14 -0.04 3.06 2.89 2zc1A1 TYR 355 HB3 0.03 -0.03 0.02 -0.04 2.98 2.97 2zc1A1 TYR 355 HD2 0.02 0.06 -0.03 -0.04 7.15 7.16 2zc1A1 TYR 355 HE2 0.02 -0.00 -0.07 -0.04 6.85 6.76 2zc1A1 ALA 356 H 0.05 0.14 -0.33 -0.55 8.40 7.71 2zc1A1 ALA 356 HA 0.04 0.04 0.31 -0.75 4.34 3.98 2zc1A1 ALA 356 HB3 0.01 0.02 0.07 -0.04 1.41 1.47 2zc1A1 ASP 357 H 0.05 0.13 -0.37 -0.55 8.40 7.66 2zc1A1 ASP 357 HA 0.03 0.05 0.31 -0.75 4.63 4.27 2zc1A1 ASP 357 HB2 0.04 0.01 -0.01 -0.04 2.71 2.71 2zc1A1 ASP 357 HB3 0.03 0.09 0.01 -0.04 2.70 2.79 2zc1A1 ARG 358 H 0.09 0.49 -0.40 -0.55 8.46 8.08 2zc1A1 ARG 358 HA 0.05 0.25 0.89 -0.75 4.34 4.77 2zc1A1 ARG 358 HB2 0.12 -0.04 0.03 -0.04 1.90 1.97 2zc1A1 ARG 358 HB3 0.06 0.07 0.22 -0.04 1.80 2.11 2zc1A1 ARG 358 HG2 0.09 -0.20 -0.38 -0.04 1.67 1.14 2zc1A1 ARG 358 HG3 0.12 -0.01 -0.10 -0.04 1.67 1.64 2zc1A1 ARG 358 HD2 0.04 0.17 -0.31 -0.04 3.22 3.09 2zc1A1 ARG 358 HD3 0.04 0.09 -0.09 -0.04 3.22 3.21 2zc1A1 LEU 359 H 0.06 0.34 -0.04 -0.55 8.37 8.18 2zc1A1 LEU 359 HA 0.12 0.25 1.05 -0.75 4.35 5.02 2zc1A1 LEU 359 HB2 0.02 0.01 0.09 -0.04 1.64 1.71 2zc1A1 LEU 359 HB3 -0.00 -0.07 -0.02 -0.04 1.64 1.51 2zc1A1 LEU 359 HG 0.09 0.23 -0.27 -0.04 1.64 1.65 2zc1A1 LEU 359 HD13 -0.01 -0.05 -0.26 -0.04 0.93 0.57 2zc1A1 LEU 359 HD23 0.11 0.01 -0.12 -0.04 0.89 0.85 2zc1A1 LEU 360 H 0.15 0.44 0.40 -0.55 8.37 8.82 2zc1A1 LEU 360 HA 0.07 0.32 0.90 -0.75 4.35 4.90 2zc1A1 LEU 360 HB2 0.13 -0.09 -0.10 -0.04 1.64 1.53 2zc1A1 LEU 360 HB3 0.13 -0.02 -0.01 -0.04 1.64 1.70 2zc1A1 LEU 360 HG 0.08 0.27 -0.06 -0.04 1.64 1.89 2zc1A1 LEU 360 HD13 0.06 -0.04 -0.43 -0.04 0.93 0.49 2zc1A1 LEU 360 HD23 0.17 -0.00 -0.17 -0.04 0.89 0.85 2zc1A1 LEU 361 H 0.06 0.36 0.16 -0.55 8.37 8.41 2zc1A1 LEU 361 HA 0.08 0.28 1.09 -0.75 4.35 5.05 2zc1A1 LEU 361 HB2 -0.02 0.03 0.07 -0.04 1.64 1.69 2zc1A1 LEU 361 HB3 -0.05 -0.04 0.05 -0.04 1.64 1.56 2zc1A1 LEU 361 HG -0.01 0.03 -0.28 -0.04 1.64 1.34 2zc1A1 LEU 361 HD13 -0.05 -0.01 -0.08 -0.04 0.93 0.75 2zc1A1 LEU 361 HD23 -0.06 0.03 -0.14 -0.04 0.89 0.68 2zc1A1 SER 362 H 0.02 0.59 0.48 -0.55 8.46 9.00 2zc1A1 SER 362 HA -0.12 0.15 0.60 -0.75 4.49 4.36 2zc1A1 SER 362 HB2 0.10 0.00 -0.30 -0.04 3.95 3.72 2zc1A1 SER 362 HB3 0.13 0.17 0.11 -0.04 3.93 4.29 2zc1A1 HIS 363 H 0.22 0.10 0.20 -0.55 8.41 8.38 2zc1A1 HIS 363 HA 0.20 0.11 0.89 -0.75 4.63 5.08 2zc1A1 HIS 363 HB2 0.12 -0.15 -0.14 -0.04 3.26 3.05 2zc1A1 HIS 363 HB3 0.19 0.16 -0.08 -0.04 3.20 3.43 2zc1A1 HIS 363 HD2 0.16 0.22 -0.03 -0.04 6.97 7.27 2zc1A1 HIS 363 HE1 0.02 0.19 -0.01 -0.04 7.75 7.91 2zc1A1 ASP 364 H 0.28 0.29 0.32 -0.55 8.40 8.74 2zc1A1 ASP 364 HA 0.38 0.02 0.23 -0.75 4.63 4.51 2zc1A1 ASP 364 HB2 0.09 0.19 -0.11 -0.04 2.71 2.84 2zc1A1 ASP 364 HB3 0.33 0.13 0.23 -0.04 2.70 3.35 2zc1A1 SER 365 H 0.22 -0.09 -0.14 -0.55 8.46 7.90 2zc1A1 SER 365 HA -0.70 0.21 0.29 -0.75 4.49 3.53 2zc1A1 SER 365 HB2 -0.35 0.12 -0.08 -0.04 3.95 3.60 2zc1A1 SER 365 HB3 -0.19 -0.04 -0.21 -0.04 3.93 3.45 2zc1A1 ILE 366 H -0.78 0.29 0.06 -0.55 8.25 7.26 2zc1A1 ILE 366 HA -0.26 0.30 0.76 -0.75 4.18 4.23 2zc1A1 ILE 366 HB -0.73 -0.00 0.04 -0.04 1.89 1.16 2zc1A1 ILE 366 HG12 -0.61 -0.02 -0.19 -0.04 1.49 0.64 2zc1A1 ILE 366 HG13 -0.25 0.08 -0.49 -0.04 1.21 0.50 2zc1A1 ILE 366 HG23 -1.13 -0.03 -0.38 -0.04 0.93 -0.65 2zc1A1 ILE 366 HD13 -1.29 -0.01 -0.14 -0.04 0.88 -0.60 2zc1A1 TRP 367 H -0.15 0.58 0.17 -0.55 7.97 8.03 2zc1A1 TRP 367 HA -0.13 0.06 0.53 -0.75 4.62 4.32 2zc1A1 TRP 367 HB2 0.01 0.21 0.23 -0.04 3.23 3.64 2zc1A1 TRP 367 HB3 -0.01 -0.04 0.06 -0.04 3.23 3.20 2zc1A1 TRP 367 HD1 -0.19 -0.11 -0.44 -0.04 7.22 6.43 2zc1A1 TRP 367 HE1 -0.11 -0.10 -0.15 -0.04 10.20 9.80 2zc1A1 TRP 367 HE3 -0.00 -0.02 0.07 -0.04 7.59 7.60 2zc1A1 TRP 367 HZ2 -0.05 -0.01 -0.13 -0.04 7.44 7.21 2zc1A1 TRP 367 HZ3 -0.04 0.06 -0.05 -0.04 7.13 7.06 2zc1A1 TRP 367 HH2 -0.04 0.07 -0.13 -0.04 7.19 7.04 2zc1A1 HIS 368 H 0.06 0.36 0.04 -0.55 8.41 8.33 2zc1A1 HIS 368 HA 0.13 0.12 0.76 -0.75 4.63 4.88 2zc1A1 HIS 368 HB2 0.16 0.03 -0.19 -0.04 3.26 3.22 2zc1A1 HIS 368 HB3 0.09 -0.07 0.08 -0.04 3.20 3.26 2zc1A1 HIS 368 HD2 0.21 -0.06 -0.22 -0.04 6.97 6.85 2zc1A1 HIS 368 HE1 0.01 -0.04 -0.06 -0.04 7.75 7.62 2zc1A1 TRP 369 H 0.08 0.16 0.07 -0.55 7.97 7.73 2zc1A1 TRP 369 HA -0.04 0.10 0.69 -0.75 4.62 4.62 2zc1A1 TRP 369 HB2 -0.11 -0.04 0.07 -0.04 3.23 3.11 2zc1A1 TRP 369 HB3 -0.04 0.16 -0.09 -0.04 3.23 3.22 2zc1A1 TRP 369 HD1 -0.02 0.02 -0.02 -0.04 7.22 7.16 2zc1A1 TRP 369 HE1 0.16 0.03 -0.02 -0.04 10.20 10.32 2zc1A1 TRP 369 HE3 -0.01 0.13 0.05 -0.04 7.59 7.72 2zc1A1 TRP 369 HZ2 0.37 0.01 -0.05 -0.04 7.44 7.73 2zc1A1 TRP 369 HZ3 -0.46 -0.11 -0.09 -0.04 7.13 6.43 2zc1A1 TRP 369 HH2 -0.02 -0.03 -0.07 -0.04 7.19 7.02 2zc1A1 LEU 370 H 0.07 0.64 0.35 -0.55 8.37 8.88 2zc1A1 LEU 370 HA 0.07 0.14 0.71 -0.75 4.35 4.52 2zc1A1 LEU 370 HB2 -0.73 -0.09 -0.09 -0.04 1.64 0.69 2zc1A1 LEU 370 HB3 -0.50 -0.05 -0.05 -0.04 1.64 1.00 2zc1A1 LEU 370 HG -0.29 -0.02 -0.19 -0.04 1.64 1.10 2zc1A1 LEU 370 HD13 -0.67 0.00 -0.15 -0.04 0.93 0.07 2zc1A1 LEU 370 HD23 -0.23 0.02 -0.14 -0.04 0.89 0.50 2zc1A1 GLY 371 H 0.15 0.17 0.06 -0.55 8.43 8.27 2zc1A1 GLY 371 HA2 0.19 0.13 0.32 -0.51 4.01 4.13 2zc1A1 GLY 371 HA3 0.18 0.03 0.73 -0.51 4.01 4.44 2zc1A1 ARG 372 H 0.07 0.02 0.09 -0.55 8.46 8.09 2zc1A1 ARG 372 HA 0.04 0.17 0.54 -0.75 4.34 4.34 2zc1A1 ARG 372 HB2 0.02 -0.11 0.07 -0.04 1.90 1.84 2zc1A1 ARG 372 HB3 -0.00 0.10 -0.08 -0.04 1.80 1.78 2zc1A1 ARG 372 HG2 0.03 0.20 -0.02 -0.04 1.67 1.83 2zc1A1 ARG 372 HG3 0.04 -0.10 -0.21 -0.04 1.67 1.36 2zc1A1 ARG 372 HD2 0.01 -0.01 -0.03 -0.04 3.22 3.14 2zc1A1 ARG 372 HD3 0.01 0.03 -0.04 -0.04 3.22 3.18 2zc1A1 PRO 373 HA -0.06 0.08 0.34 -0.51 4.44 4.29 2zc1A1 PRO 373 HB2 -0.03 0.04 -0.01 -0.04 2.28 2.24 2zc1A1 PRO 373 HB3 -0.01 0.01 0.11 -0.04 2.02 2.08 2zc1A1 PRO 373 HG2 -0.02 -0.02 0.06 -0.04 2.03 2.01 2zc1A1 PRO 373 HG3 0.00 0.01 0.08 -0.04 2.03 2.08 2zc1A1 PRO 373 HD2 0.01 0.05 0.21 -0.04 3.68 3.91 2zc1A1 PRO 373 HD3 0.02 0.17 0.20 -0.04 3.65 4.00 2zc1A1 PRO 374 HA -0.23 -0.01 0.39 -0.51 4.44 4.07 2zc1A1 PRO 374 HB2 -0.41 -0.02 0.02 -0.04 2.28 1.83 2zc1A1 PRO 374 HB3 -0.54 -0.00 -0.00 -0.04 2.02 1.44 2zc1A1 PRO 374 HG2 -2.60 0.01 0.04 -0.04 2.03 -0.56 2zc1A1 PRO 374 HG3 -1.12 0.07 0.05 -0.04 2.03 0.99 2zc1A1 PRO 374 HD2 -0.34 0.05 0.16 -0.04 3.68 3.51 2zc1A1 PRO 374 HD3 -0.27 0.19 0.11 -0.04 3.65 3.64 2zc1A1 ALA 375 H -0.10 0.12 0.10 -0.55 8.40 7.97 2zc1A1 ALA 375 HA -0.05 0.13 0.62 -0.75 4.34 4.29 2zc1A1 ALA 375 HB3 -0.04 -0.00 0.10 -0.04 1.41 1.43 2zc1A1 ILE 376 H -0.03 0.29 0.04 -0.55 8.25 8.00 2zc1A1 ILE 376 HA -0.02 0.09 0.38 -0.75 4.18 3.88 2zc1A1 ILE 376 HB 0.02 -0.02 0.08 -0.04 1.89 1.93 2zc1A1 ILE 376 HG12 0.03 -0.02 -0.11 -0.04 1.49 1.35 2zc1A1 ILE 376 HG13 -0.01 0.15 -0.05 -0.04 1.21 1.26 2zc1A1 ILE 376 HG23 0.04 0.00 -0.27 -0.04 0.93 0.67 2zc1A1 ILE 376 HD13 0.10 0.00 -0.03 -0.04 0.88 0.91 2zc1A1 PRO 377 HA -0.01 0.05 0.47 -0.51 4.44 4.45 2zc1A1 PRO 377 HB2 -0.01 -0.11 0.07 -0.04 2.28 2.18 2zc1A1 PRO 377 HB3 -0.01 0.11 0.14 -0.04 2.02 2.22 2zc1A1 PRO 377 HG2 -0.00 -0.14 0.14 -0.04 2.03 1.99 2zc1A1 PRO 377 HG3 -0.01 0.08 0.10 -0.04 2.03 2.16 2zc1A1 PRO 377 HD2 -0.01 0.07 0.20 -0.04 3.68 3.90 2zc1A1 PRO 377 HD3 -0.02 0.35 0.30 -0.04 3.65 4.24 2zc1A1 GLU 378 H -0.00 0.18 0.20 -0.55 8.60 8.44 2zc1A1 GLU 378 HA 0.01 0.12 0.35 -0.75 4.29 4.01 2zc1A1 GLU 378 HB2 0.00 0.05 0.17 -0.04 2.09 2.27 2zc1A1 GLU 378 HB3 0.00 -0.03 0.08 -0.04 1.99 2.00 2zc1A1 GLU 378 HG2 0.00 0.01 0.02 -0.04 2.34 2.33 2zc1A1 GLU 378 HG3 0.00 0.00 -0.06 -0.04 2.34 2.25 2zc1A1 ALA 379 H -0.00 0.02 -0.41 -0.55 8.40 7.47 2zc1A1 ALA 379 HA 0.00 0.14 0.57 -0.75 4.34 4.30 2zc1A1 ALA 379 HB3 -0.00 0.01 0.05 -0.04 1.41 1.42 2zc1A1 ALA 380 H 0.00 0.53 -0.13 -0.55 8.40 8.26 2zc1A1 ALA 380 HA -0.00 0.12 0.70 -0.75 4.34 4.40 2zc1A1 ALA 380 HB3 -0.00 0.02 0.06 -0.04 1.41 1.44 2zc1A1 LEU 381 H 0.02 0.25 -0.35 -0.55 8.37 7.74 2zc1A1 LEU 381 HA 0.05 0.04 0.27 -0.75 4.35 3.96 2zc1A1 LEU 381 HB2 0.02 0.16 0.08 -0.04 1.64 1.86 2zc1A1 LEU 381 HB3 0.03 -0.03 -0.07 -0.04 1.64 1.53 2zc1A1 LEU 381 HG 0.02 -0.01 0.01 -0.04 1.64 1.61 2zc1A1 LEU 381 HD13 0.04 -0.00 -0.04 -0.04 0.93 0.88 2zc1A1 LEU 381 HD23 0.02 0.01 -0.13 -0.04 0.89 0.74 2zc1A1 PRO 382 HA 0.03 0.06 0.56 -0.51 4.44 4.58 2zc1A1 PRO 382 HB2 0.02 0.01 -0.01 -0.04 2.28 2.26 2zc1A1 PRO 382 HB3 0.02 0.02 0.08 -0.04 2.02 2.09 2zc1A1 PRO 382 HG2 0.01 0.05 0.02 -0.04 2.03 2.07 2zc1A1 PRO 382 HG3 0.01 0.04 0.04 -0.04 2.03 2.08 2zc1A1 PRO 382 HD2 0.01 0.06 -0.45 -0.04 3.68 3.26 2zc1A1 PRO 382 HD3 0.02 0.13 0.01 -0.04 3.65 3.76 2zc1A1 ALA 383 H 0.01 0.28 -0.28 -0.55 8.40 7.87 2zc1A1 ALA 383 HA -0.00 0.12 0.58 -0.75 4.34 4.28 2zc1A1 ALA 383 HB3 -0.03 -0.02 0.07 -0.04 1.41 1.39 2zc1A1 VAL 384 H 0.07 0.28 -0.45 -0.55 8.24 7.59 2zc1A1 VAL 384 HA 0.22 0.22 1.04 -0.75 4.13 4.86 2zc1A1 VAL 384 HB 0.50 0.03 0.14 -0.04 2.12 2.75 2zc1A1 VAL 384 HG13 0.07 -0.01 -0.15 -0.04 0.97 0.84 2zc1A1 VAL 384 HG23 0.15 0.03 -0.09 -0.04 0.95 1.00 2zc1A1 LYS 385 H 0.08 0.22 -0.04 -0.55 8.42 8.13 2zc1A1 LYS 385 HA 0.10 0.10 0.42 -0.75 4.32 4.18 2zc1A1 LYS 385 HB2 0.05 0.08 0.17 -0.04 1.87 2.13 2zc1A1 LYS 385 HB3 0.04 -0.02 0.13 -0.04 1.79 1.90 2zc1A1 LYS 385 HG2 0.04 -0.02 -0.14 -0.04 1.46 1.31 2zc1A1 LYS 385 HG3 0.04 0.01 0.07 -0.04 1.46 1.54 2zc1A1 LYS 385 HD2 0.03 -0.00 -0.01 -0.04 1.69 1.67 2zc1A1 LYS 385 HD3 0.03 -0.03 -0.01 -0.04 1.68 1.63 2zc1A1 LYS 385 HE2 0.02 -0.01 -0.02 -0.04 2.99 2.94 2zc1A1 LYS 385 HE3 0.02 0.01 -0.01 -0.04 2.99 2.97 2zc1A1 ASP 386 H 0.04 0.19 -0.12 -0.55 8.40 7.96 2zc1A1 ASP 386 HA 0.00 0.18 0.80 -0.75 4.63 4.85 2zc1A1 ASP 386 HB2 -0.24 0.04 0.11 -0.04 2.71 2.58 2zc1A1 ASP 386 HB3 -1.44 -0.08 0.17 -0.04 2.70 1.30 2zc1A1 TRP 387 H 0.28 0.28 -0.71 -0.55 7.97 7.27 2zc1A1 TRP 387 HA -0.00 0.09 0.51 -0.75 4.62 4.45 2zc1A1 TRP 387 HB2 0.04 0.12 -0.07 -0.04 3.23 3.27 2zc1A1 TRP 387 HB3 0.07 0.12 0.22 -0.04 3.23 3.61 2zc1A1 TRP 387 HD1 0.10 0.05 -0.27 -0.04 7.22 7.05 2zc1A1 TRP 387 HE1 0.08 0.25 -0.44 -0.04 10.20 10.06 2zc1A1 TRP 387 HE3 0.14 0.03 0.07 -0.04 7.59 7.79 2zc1A1 TRP 387 HZ2 -0.03 0.23 0.01 -0.04 7.44 7.62 2zc1A1 TRP 387 HZ3 0.37 -0.02 -0.01 -0.04 7.13 7.43 2zc1A1 TRP 387 HH2 0.19 -0.04 -0.04 -0.04 7.19 7.26 2zc1A1 HIS 388 H -0.36 0.55 0.13 -0.55 8.41 8.19 2zc1A1 HIS 388 HA -0.37 0.15 0.56 -0.75 4.63 4.22 2zc1A1 HIS 388 HB2 -0.21 0.02 0.04 -0.04 3.26 3.07 2zc1A1 HIS 388 HB3 -0.14 0.17 -0.20 -0.04 3.20 2.98 2zc1A1 HIS 388 HD2 -0.04 0.16 -0.35 -0.04 6.97 6.70 2zc1A1 HIS 388 HE1 0.02 0.03 -0.24 -0.04 7.75 7.51 2zc1A1 PRO 389 HA -1.48 0.07 0.45 -0.51 4.44 2.97 2zc1A1 PRO 389 HB2 -0.13 0.10 0.09 -0.04 2.28 2.30 2zc1A1 PRO 389 HB3 0.01 -0.05 0.07 -0.04 2.02 2.00 2zc1A1 PRO 389 HG2 -0.43 0.10 -0.04 -0.04 2.03 1.62 2zc1A1 PRO 389 HG3 -0.74 0.06 -0.01 -0.04 2.03 1.30 2zc1A1 PRO 389 HD2 -0.22 0.16 0.12 -0.04 3.68 3.70 2zc1A1 PRO 389 HD3 -0.24 0.13 0.10 -0.04 3.65 3.60 2zc1A1 LEU 390 H 0.05 0.16 -0.41 -0.55 8.37 7.63 2zc1A1 LEU 390 HA -0.00 0.23 0.81 -0.75 4.35 4.63 2zc1A1 LEU 390 HB2 0.26 0.03 -0.06 -0.04 1.64 1.83 2zc1A1 LEU 390 HB3 0.06 0.03 0.07 -0.04 1.64 1.77 2zc1A1 LEU 390 HG -0.01 -0.07 -0.13 -0.04 1.64 1.39 2zc1A1 LEU 390 HD13 -0.07 0.02 -0.05 -0.04 0.93 0.78 2zc1A1 LEU 390 HD23 -0.09 0.05 -0.25 -0.04 0.89 0.55 2zc1A1 HIS 391 H -0.41 0.40 -0.02 -0.55 8.41 7.84 2zc1A1 HIS 391 HA 0.01 0.05 0.42 -0.75 4.63 4.36 2zc1A1 HIS 391 HB2 -0.60 0.08 0.19 -0.04 3.26 2.89 2zc1A1 HIS 391 HB3 -0.12 0.13 0.21 -0.04 3.20 3.38 2zc1A1 HIS 391 HD2 0.16 0.16 -0.44 -0.04 6.97 6.81 2zc1A1 HIS 391 HE1 0.06 -0.01 -0.05 -0.04 7.75 7.70 2zc1A1 ILE 392 H 0.73 0.21 -0.20 -0.55 8.25 8.44 2zc1A1 ILE 392 HA -0.19 -0.04 0.48 -0.75 4.18 3.67 2zc1A1 ILE 392 HB 0.02 0.07 0.01 -0.04 1.89 1.95 2zc1A1 ILE 392 HG12 -0.20 -0.03 -0.05 -0.04 1.49 1.17 2zc1A1 ILE 392 HG13 -0.32 -0.03 -0.11 -0.04 1.21 0.71 2zc1A1 ILE 392 HG23 -0.05 0.03 -0.18 -0.04 0.93 0.69 2zc1A1 ILE 392 HD13 -0.53 0.06 -0.26 -0.04 0.88 0.11 2zc1A1 SER 393 H 0.09 0.13 -0.25 -0.55 8.46 7.89 2zc1A1 SER 393 HA 0.02 0.05 0.33 -0.75 4.49 4.13 2zc1A1 SER 393 HB2 0.04 0.04 0.13 -0.04 3.95 4.12 2zc1A1 SER 393 HB3 0.02 0.07 0.00 -0.04 3.93 3.98 2zc1A1 ASP 394 H 0.06 0.51 -0.11 -0.55 8.40 8.31 2zc1A1 ASP 394 HA 0.03 0.17 0.68 -0.75 4.63 4.75 2zc1A1 ASP 394 HB2 0.12 0.00 0.04 -0.04 2.71 2.83 2zc1A1 ASP 394 HB3 0.07 -0.04 0.01 -0.04 2.70 2.69 2zc1A1 ASP 395 H -0.00 0.48 -0.01 -0.55 8.40 8.32 2zc1A1 ASP 395 HA 0.03 0.26 1.14 -0.75 4.63 5.31 2zc1A1 ASP 395 HB2 -0.02 0.01 0.06 -0.04 2.71 2.71 2zc1A1 ASP 395 HB3 0.11 -0.06 0.01 -0.04 2.70 2.72 2zc1A1 ILE 396 H -0.17 0.34 0.25 -0.55 8.25 8.13 2zc1A1 ILE 396 HA -0.08 0.05 0.53 -0.75 4.18 3.93 2zc1A1 ILE 396 HB -0.15 0.05 0.22 -0.04 1.89 1.97 2zc1A1 ILE 396 HG12 -0.64 0.12 -0.10 -0.04 1.49 0.84 2zc1A1 ILE 396 HG13 -0.31 -0.03 -0.08 -0.04 1.21 0.74 2zc1A1 ILE 396 HG23 -0.09 -0.01 -0.11 -0.04 0.93 0.68 2zc1A1 ILE 396 HD13 -0.14 -0.01 -0.12 -0.04 0.88 0.57 2zc1A1 LEU 397 H -0.05 0.68 0.10 -0.55 8.37 8.56 2zc1A1 LEU 397 HA -0.04 -0.03 0.35 -0.75 4.35 3.88 2zc1A1 LEU 397 HB2 -0.01 0.23 0.10 -0.04 1.64 1.91 2zc1A1 LEU 397 HB3 -0.01 -0.05 0.01 -0.04 1.64 1.55 2zc1A1 LEU 397 HG -0.03 0.09 -0.06 -0.04 1.64 1.60 2zc1A1 LEU 397 HD13 -0.00 0.01 -0.05 -0.04 0.93 0.85 2zc1A1 LEU 397 HD23 -0.03 -0.03 -0.06 -0.04 0.89 0.73 2zc1A1 PRO 398 HA -0.01 0.04 0.38 -0.51 4.44 4.34 2zc1A1 PRO 398 HB2 0.00 0.06 -0.08 -0.04 2.28 2.23 2zc1A1 PRO 398 HB3 0.00 -0.00 0.03 -0.04 2.02 2.01 2zc1A1 PRO 398 HG2 0.01 0.33 -0.12 -0.04 2.03 2.21 2zc1A1 PRO 398 HG3 0.00 0.04 -0.01 -0.04 2.03 2.02 2zc1A1 PRO 398 HD2 -0.02 -0.04 -0.81 -0.04 3.68 2.77 2zc1A1 PRO 398 HD3 -0.01 0.25 -0.10 -0.04 3.65 3.75 2zc1A1 ASP 399 H -0.01 0.37 -0.40 -0.55 8.40 7.81 2zc1A1 ASP 399 HA -0.00 0.02 0.44 -0.75 4.63 4.33 2zc1A1 ASP 399 HB2 0.00 0.15 0.16 -0.04 2.71 2.98 2zc1A1 ASP 399 HB3 -0.02 0.07 0.16 -0.04 2.70 2.87 2zc1A1 LEU 400 H -0.03 0.58 -0.09 -0.55 8.37 8.29 2zc1A1 LEU 400 HA -0.03 0.01 0.43 -0.75 4.35 4.01 2zc1A1 LEU 400 HB2 -0.03 0.15 0.14 -0.04 1.64 1.85 2zc1A1 LEU 400 HB3 -0.04 -0.08 -0.03 -0.04 1.64 1.45 2zc1A1 LEU 400 HG -0.05 0.15 -0.01 -0.04 1.64 1.69 2zc1A1 LEU 400 HD13 -0.07 -0.02 -0.10 -0.04 0.93 0.70 2zc1A1 LEU 400 HD23 -0.07 -0.02 -0.05 -0.04 0.89 0.71 2zc1A1 ARG 401 H -0.02 0.59 -0.10 -0.55 8.46 8.38 2zc1A1 ARG 401 HA -0.01 0.31 0.41 -0.75 4.34 4.30 2zc1A1 ARG 401 HB2 -0.01 0.08 0.14 -0.04 1.90 2.07 2zc1A1 ARG 401 HB3 -0.01 -0.06 -0.00 -0.04 1.80 1.69 2zc1A1 ARG 401 HG2 -0.01 0.18 0.01 -0.04 1.67 1.81 2zc1A1 ARG 401 HG3 -0.01 -0.05 -0.05 -0.04 1.67 1.52 2zc1A1 ARG 401 HD2 -0.01 0.12 -0.25 -0.04 3.22 3.04 2zc1A1 ARG 401 HD3 -0.01 -0.09 -0.22 -0.04 3.22 2.86 2zc1A1 ARG 402 H -0.01 0.56 -0.16 -0.55 8.46 8.30 2zc1A1 ARG 402 HA -0.00 0.04 0.51 -0.75 4.34 4.13 2zc1A1 ARG 402 HB2 -0.00 -0.07 0.13 -0.04 1.90 1.91 2zc1A1 ARG 402 HB3 -0.00 0.02 0.12 -0.04 1.80 1.90 2zc1A1 ARG 402 HG2 -0.00 0.10 0.19 -0.04 1.67 1.92 2zc1A1 ARG 402 HG3 -0.00 0.01 -0.20 -0.04 1.67 1.43 2zc1A1 ARG 402 HD2 0.00 -0.05 -0.01 -0.04 3.22 3.12 2zc1A1 ARG 402 HD3 0.00 -0.01 -0.03 -0.04 3.22 3.14 2zc1A1 ARG 403 H -0.01 0.32 -0.54 -0.55 8.46 7.67 2zc1A1 ARG 403 HA -0.01 0.09 0.74 -0.75 4.34 4.42 2zc1A1 ARG 403 HB2 -0.02 0.07 0.14 -0.04 1.90 2.05 2zc1A1 ARG 403 HB3 -0.01 -0.09 0.16 -0.04 1.80 1.82 2zc1A1 ARG 403 HG2 -0.01 -0.06 0.01 -0.04 1.67 1.57 2zc1A1 ARG 403 HG3 -0.01 0.28 0.04 -0.04 1.67 1.94 2zc1A1 ARG 403 HD2 -0.02 -0.03 -0.05 -0.04 3.22 3.08 2zc1A1 ARG 403 HD3 -0.01 -0.05 -0.01 -0.04 3.22 3.10 2zc1A1 GLY 404 H -0.01 0.43 -0.38 -0.55 8.43 7.92 2zc1A1 GLY 404 HA2 -0.01 -0.01 0.24 -0.51 4.01 3.72 2zc1A1 GLY 404 HA3 -0.01 0.13 0.72 -0.51 4.01 4.34 2zc1A1 ILE 405 H -0.02 0.54 -0.01 -0.55 8.25 8.21 2zc1A1 ILE 405 HA -0.02 0.02 0.55 -0.75 4.18 3.98 2zc1A1 ILE 405 HB -0.02 -0.05 -0.32 -0.04 1.89 1.46 2zc1A1 ILE 405 HG12 -0.03 0.15 -0.03 -0.04 1.49 1.53 2zc1A1 ILE 405 HG13 -0.04 -0.07 -0.05 -0.04 1.21 1.01 2zc1A1 ILE 405 HG23 -0.02 0.01 -0.12 -0.04 0.93 0.76 2zc1A1 ILE 405 HD13 -0.02 0.00 -0.10 -0.04 0.88 0.72 2zc1A1 THR 406 H -0.01 0.06 0.17 -0.55 8.28 7.95 2zc1A1 THR 406 HA -0.01 0.29 0.58 -0.75 4.39 4.50 2zc1A1 THR 406 HB -0.01 -0.07 0.18 -0.04 4.32 4.38 2zc1A1 THR 406 HG23 -0.01 0.07 0.07 -0.04 1.22 1.31 2zc1A1 GLU 407 H -0.00 0.22 0.18 -0.55 8.60 8.45 2zc1A1 GLU 407 HA -0.00 0.14 0.44 -0.75 4.29 4.11 2zc1A1 GLU 407 HB2 -0.00 0.06 0.15 -0.04 2.09 2.26 2zc1A1 GLU 407 HB3 -0.00 -0.03 0.11 -0.04 1.99 2.03 2zc1A1 GLU 407 HG2 0.00 -0.01 -0.10 -0.04 2.34 2.19 2zc1A1 GLU 407 HG3 -0.00 0.04 0.06 -0.04 2.34 2.39 2zc1A1 GLU 408 H -0.00 0.08 -0.08 -0.55 8.60 8.05 2zc1A1 GLU 408 HA 0.00 0.13 0.45 -0.75 4.29 4.12 2zc1A1 GLU 408 HB2 -0.00 0.04 0.09 -0.04 2.09 2.18 2zc1A1 GLU 408 HB3 -0.00 -0.05 0.07 -0.04 1.99 1.97 2zc1A1 GLU 408 HG2 0.00 0.01 -0.30 -0.04 2.34 2.00 2zc1A1 GLU 408 HG3 0.00 0.03 0.01 -0.04 2.34 2.35 2zc1A1 GLN 409 H -0.00 0.03 -0.29 -0.55 8.47 7.66 2zc1A1 GLN 409 HA -0.00 0.08 0.40 -0.75 4.36 4.09 2zc1A1 GLN 409 HB2 -0.01 0.05 0.11 -0.04 2.15 2.26 2zc1A1 GLN 409 HB3 -0.01 0.04 -0.02 -0.04 2.02 2.00 2zc1A1 GLN 409 HG2 -0.00 0.04 0.05 -0.04 2.40 2.44 2zc1A1 GLN 409 HG3 -0.01 -0.07 0.06 -0.04 2.39 2.33 2zc1A1 GLN 409 HE21 -0.01 0.10 -0.03 -0.04 6.97 6.99 2zc1A1 GLN 409 HE22 -0.01 -0.02 0.06 -0.04 7.69 7.68 2zc1A1 VAL 410 H -0.01 0.54 -0.15 -0.55 8.24 8.08 2zc1A1 VAL 410 HA -0.01 0.03 0.47 -0.75 4.13 3.87 2zc1A1 VAL 410 HB -0.01 0.07 0.14 -0.04 2.12 2.28 2zc1A1 VAL 410 HG13 -0.00 -0.00 -0.11 -0.04 0.97 0.81 2zc1A1 VAL 410 HG23 -0.02 0.02 -0.05 -0.04 0.95 0.86 2zc1A1 GLY 411 H 0.00 0.58 -0.16 -0.55 8.43 8.31 2zc1A1 GLY 411 HA2 0.01 0.02 0.37 -0.51 4.01 3.91 2zc1A1 GLY 411 HA3 0.01 0.06 0.31 -0.51 4.01 3.88 2zc1A1 GLN 412 H 0.01 0.50 -0.22 -0.55 8.47 8.21 2zc1A1 GLN 412 HA 0.02 -0.06 0.52 -0.75 4.36 4.09 2zc1A1 GLN 412 HB2 0.01 0.02 0.10 -0.04 2.15 2.23 2zc1A1 GLN 412 HB3 0.01 0.10 0.14 -0.04 2.02 2.23 2zc1A1 GLN 412 HG2 0.01 -0.12 -0.22 -0.04 2.40 2.03 2zc1A1 GLN 412 HG3 0.02 0.19 -0.30 -0.04 2.39 2.25 2zc1A1 GLN 412 HE21 0.01 0.05 -0.06 -0.04 6.97 6.93 2zc1A1 GLN 412 HE22 0.02 0.09 -0.03 -0.04 7.69 7.72 2zc1A1 MET 413 H 0.01 0.45 -0.07 -0.55 8.47 8.32 2zc1A1 MET 413 HA 0.03 0.25 0.57 -0.75 4.52 4.61 2zc1A1 MET 413 HB2 0.00 0.00 0.21 -0.04 2.15 2.32 2zc1A1 MET 413 HB3 0.01 -0.11 0.01 -0.04 2.03 1.89 2zc1A1 MET 413 HG2 0.01 0.27 0.15 -0.04 2.63 3.02 2zc1A1 MET 413 HG3 0.00 0.04 0.13 -0.04 2.56 2.70 2zc1A1 MET 413 HE3 -0.04 -0.01 -0.13 -0.04 2.10 1.88 2zc1A1 THR 414 H 0.02 0.49 0.00 -0.55 8.28 8.24 2zc1A1 THR 414 HA 0.05 0.17 0.73 -0.75 4.39 4.57 2zc1A1 THR 414 HB 0.03 -0.05 0.12 -0.04 4.32 4.37 2zc1A1 THR 414 HG23 0.01 -0.01 0.03 -0.04 1.22 1.20 2zc1A1 VAL 415 H 0.03 0.38 -0.09 -0.55 8.24 8.02 2zc1A1 VAL 415 HA 0.05 0.34 1.01 -0.75 4.13 4.77 2zc1A1 VAL 415 HB 0.02 0.05 0.13 -0.04 2.12 2.28 2zc1A1 VAL 415 HG13 0.02 -0.01 -0.19 -0.04 0.97 0.75 2zc1A1 VAL 415 HG23 0.02 -0.03 -0.22 -0.04 0.95 0.68 2zc1A1 GLY 416 H 0.03 0.46 0.29 -0.55 8.43 8.66 2zc1A1 GLY 416 HA2 0.02 -0.00 0.41 -0.51 4.01 3.93 2zc1A1 GLY 416 HA3 0.02 -0.02 0.41 -0.51 4.01 3.90 2zc1A1 ASN 417 H 0.03 0.82 0.10 -0.55 8.53 8.94 2zc1A1 ASN 417 HA 0.01 0.03 0.41 -0.75 4.76 4.46 2zc1A1 ASN 417 HB2 0.05 0.20 0.15 -0.04 2.88 3.24 2zc1A1 ASN 417 HB3 0.03 -0.09 -0.07 -0.04 2.79 2.62 2zc1A1 ASN 417 HD21 0.04 0.26 0.07 -0.04 7.03 7.36 2zc1A1 ASN 417 HD22 0.05 0.24 -0.02 -0.04 7.74 7.96 2zc1A1 PRO 418 HA 0.25 -0.01 0.34 -0.51 4.44 4.51 2zc1A1 PRO 418 HB2 0.14 0.17 -0.09 -0.04 2.28 2.46 2zc1A1 PRO 418 HB3 0.29 -0.07 -0.08 -0.04 2.02 2.11 2zc1A1 PRO 418 HG2 0.10 0.23 -0.09 -0.04 2.03 2.24 2zc1A1 PRO 418 HG3 0.19 -0.06 -0.02 -0.04 2.03 2.10 2zc1A1 PRO 418 HD2 0.07 -0.07 -0.74 -0.04 3.68 2.89 2zc1A1 PRO 418 HD3 0.08 0.31 -0.07 -0.04 3.65 3.93 2zc1A1 ALA 419 H 0.07 0.59 -0.26 -0.55 8.40 8.25 2zc1A1 ALA 419 HA 0.08 -0.01 0.40 -0.75 4.34 4.06 2zc1A1 ALA 419 HB3 0.04 0.00 0.08 -0.04 1.41 1.48 2zc1A1 ARG 420 H 0.01 0.45 -0.19 -0.55 8.46 8.17 2zc1A1 ARG 420 HA -0.00 0.01 0.50 -0.75 4.34 4.09 2zc1A1 ARG 420 HB2 -0.00 -0.09 0.10 -0.04 1.90 1.86 2zc1A1 ARG 420 HB3 -0.02 0.10 0.19 -0.04 1.80 2.03 2zc1A1 ARG 420 HG2 -0.04 0.11 -0.15 -0.04 1.67 1.56 2zc1A1 ARG 420 HG3 -0.01 -0.08 0.08 -0.04 1.67 1.62 2zc1A1 ARG 420 HD2 -0.01 -0.04 0.03 -0.04 3.22 3.16 2zc1A1 ARG 420 HD3 -0.01 0.26 0.09 -0.04 3.22 3.53 2zc1A1 LEU 421 H -0.12 0.57 0.04 -0.55 8.37 8.31 2zc1A1 LEU 421 HA -0.20 0.21 0.50 -0.75 4.35 4.11 2zc1A1 LEU 421 HB2 -0.27 0.12 0.08 -0.04 1.64 1.54 2zc1A1 LEU 421 HB3 -0.97 -0.08 -0.02 -0.04 1.64 0.53 2zc1A1 LEU 421 HG -0.23 0.04 -0.16 -0.04 1.64 1.25 2zc1A1 LEU 421 HD13 -0.59 -0.05 -0.22 -0.04 0.93 0.03 2zc1A1 LEU 421 HD23 -0.39 0.00 -0.24 -0.04 0.89 0.22 2zc1A1 PHE 422 H -0.08 0.55 -0.07 -0.55 8.34 8.18 2zc1A1 PHE 422 HA 0.03 0.22 0.88 -0.75 4.62 4.99 2zc1A1 PHE 422 HB2 0.01 0.08 -0.06 -0.04 3.15 3.13 2zc1A1 PHE 422 HB3 0.01 -0.08 0.01 -0.04 3.06 2.96 2zc1A1 PHE 422 HD2 0.02 0.10 -0.05 -0.04 7.28 7.30 2zc1A1 PHE 422 HE2 0.02 -0.04 -0.16 -0.04 7.38 7.16 2zc1A1 PHE 422 HZ 0.03 -0.06 -0.12 -0.04 7.32 7.12 2zc1A1 GLY 423 H 0.06 0.34 -0.28 -0.55 8.43 8.01 2zc1A1 GLY 423 HA2 0.05 -0.02 0.33 -0.51 4.01 3.86 2zc1A1 GLY 423 HA3 0.04 0.08 0.28 -0.51 4.01 3.90