============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. HIS 19 0.900 39.168 61.155 91.116 -99.200 -91.000 HIS 22 0.900 45.961 67.244 88.638 -99.200 -91.000 PHE 27 1.000 32.691 65.733 86.801 -99.200 -91.000 PHE 30 1.000 32.480 70.191 83.583 -99.200 -91.000 PHE 33 1.000 35.806 75.731 81.321 -99.200 -91.000 HIS 38 0.900 20.750 75.925 77.416 -99.200 -91.000 PHE 40 1.000 24.626 79.090 84.713 -99.200 -91.000 HIS 42 0.900 19.023 73.242 86.604 -99.200 -91.000 HIS 43 0.900 12.703 74.408 87.090 -99.200 -91.000 HIS 58 0.900 29.724 75.211 78.749 -99.200 -91.000 PHE 59 1.000 30.925 68.706 73.066 -99.200 -91.000 PHE 65 1.000 38.092 71.857 82.976 -99.200 -91.000 PHE 73 1.000 44.160 60.131 87.166 -99.200 -91.000 PHE 80 1.000 50.401 57.628 81.264 -99.200 -91.000 HIS 101 0.900 31.640 59.045 77.711 -99.200 -91.000 PHE 108 1.000 23.013 59.411 83.961 -99.200 -91.000 PHE 115 1.000 26.083 63.077 81.998 -99.200 -91.000 TYR 122 0.840 26.592 70.374 81.141 -99.200 -91.000 PHE 132 1.000 28.499 64.892 70.118 -99.200 -91.000 PHE 136 1.000 28.282 59.556 70.738 -99.200 -91.000 PHE 141 1.000 22.046 61.065 78.398 -99.200 -91.000 HIS 142 0.900 21.502 50.614 78.337 -99.200 -91.000 PHE 143 1.000 29.612 53.695 79.943 -99.200 -91.000 HIS 144 0.900 27.736 58.285 81.503 -99.200 -91.000 TYR 157 0.840 31.990 55.724 89.844 -99.200 -91.000 PHE 166 1.000 48.762 52.410 83.795 -99.200 -91.000 TYR 193 0.840 37.300 49.012 97.666 -99.200 -91.000 PHE 205 1.000 28.646 36.076 88.798 -99.200 -91.000 TYR 207 0.840 37.399 42.301 87.395 -99.200 -91.000 TYR 224 0.840 33.940 62.446 71.355 -99.200 -91.000 TYR 226 0.840 30.892 58.335 61.541 -99.200 -91.000 HIS 230 0.900 27.601 62.851 61.230 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1xv9B1 PRO 103 HA -0.07 -0.11 0.20 -0.51 4.44 3.95 1xv9B1 PRO 103 HB2 -0.04 -0.08 0.14 -0.04 2.28 2.26 1xv9B1 PRO 103 HB3 -0.05 -0.04 0.01 -0.04 2.02 1.90 1xv9B1 PRO 103 HG2 -0.04 -0.06 0.04 -0.04 2.03 1.93 1xv9B1 PRO 103 HG3 -0.05 0.09 -0.01 -0.04 2.03 2.03 1xv9B1 PRO 103 HD2 -0.04 -0.10 0.04 -0.04 3.68 3.54 1xv9B1 PRO 103 HD3 -0.04 0.06 0.10 -0.04 3.65 3.73 1xv9B1 VAL 104 H -0.06 0.13 -0.08 -0.55 8.24 7.67 1xv9B1 VAL 104 HA -0.04 0.16 0.81 -0.75 4.13 4.31 1xv9B1 VAL 104 HB -0.03 -0.14 0.17 -0.04 2.12 2.08 1xv9B1 VAL 104 HG13 -0.03 0.01 -0.05 -0.04 0.97 0.86 1xv9B1 VAL 104 HG23 -0.04 -0.01 0.02 -0.04 0.95 0.88 1xv9B1 GLN 105 H -0.03 0.05 0.13 -0.55 8.47 8.07 1xv9B1 GLN 105 HA -0.03 0.20 0.55 -0.75 4.36 4.32 1xv9B1 GLN 105 HB2 -0.02 -0.03 0.02 -0.04 2.15 2.08 1xv9B1 GLN 105 HB3 -0.01 -0.10 0.01 -0.04 2.02 1.87 1xv9B1 GLN 105 HG2 -0.02 0.07 -0.02 -0.04 2.40 2.38 1xv9B1 GLN 105 HG3 -0.02 0.02 0.03 -0.04 2.39 2.37 1xv9B1 GLN 105 HE21 -0.01 -0.01 -0.00 -0.04 6.97 6.90 1xv9B1 GLN 105 HE22 -0.01 0.05 -0.01 -0.04 7.69 7.68 1xv9B1 LEU 106 H -0.01 0.20 -0.04 -0.55 8.37 7.97 1xv9B1 LEU 106 HA 0.01 0.09 0.67 -0.75 4.35 4.36 1xv9B1 LEU 106 HB2 -0.00 0.00 0.09 -0.04 1.64 1.69 1xv9B1 LEU 106 HB3 0.03 -0.02 -0.01 -0.04 1.64 1.60 1xv9B1 LEU 106 HG -0.03 0.15 -0.49 -0.04 1.64 1.23 1xv9B1 LEU 106 HD13 -0.04 0.00 -0.06 -0.04 0.93 0.79 1xv9B1 LEU 106 HD23 0.08 -0.02 0.01 -0.04 0.89 0.92 1xv9B1 SER 107 H 0.00 0.16 0.01 -0.55 8.46 8.09 1xv9B1 SER 107 HA 0.00 0.11 0.33 -0.75 4.49 4.18 1xv9B1 SER 107 HB2 0.00 -0.03 0.19 -0.04 3.95 4.07 1xv9B1 SER 107 HB3 0.00 0.14 0.15 -0.04 3.93 4.17 1xv9B1 LYS 108 H 0.01 0.17 0.19 -0.55 8.42 8.23 1xv9B1 LYS 108 HA 0.01 0.18 0.46 -0.75 4.32 4.21 1xv9B1 LYS 108 HB2 0.01 0.00 0.18 -0.04 1.87 2.01 1xv9B1 LYS 108 HB3 0.01 0.02 0.02 -0.04 1.79 1.80 1xv9B1 LYS 108 HG2 0.01 0.03 0.05 -0.04 1.46 1.50 1xv9B1 LYS 108 HG3 0.01 0.01 0.12 -0.04 1.46 1.55 1xv9B1 LYS 108 HD2 0.01 0.04 0.04 -0.04 1.69 1.74 1xv9B1 LYS 108 HD3 0.01 0.01 0.05 -0.04 1.68 1.71 1xv9B1 LYS 108 HE2 0.00 0.03 0.02 -0.04 2.99 3.00 1xv9B1 LYS 108 HE3 0.00 -0.06 0.05 -0.04 2.99 2.94 1xv9B1 GLU 109 H 0.01 0.00 -0.25 -0.55 8.60 7.81 1xv9B1 GLU 109 HA 0.01 0.18 0.65 -0.75 4.29 4.38 1xv9B1 GLU 109 HB2 0.01 -0.07 0.08 -0.04 2.09 2.08 1xv9B1 GLU 109 HB3 0.01 0.07 -0.04 -0.04 1.99 1.99 1xv9B1 GLU 109 HG2 0.01 0.06 -0.01 -0.04 2.34 2.35 1xv9B1 GLU 109 HG3 0.01 -0.05 0.01 -0.04 2.34 2.26 1xv9B1 GLN 110 H 0.02 0.03 -0.13 -0.55 8.47 7.84 1xv9B1 GLN 110 HA 0.04 0.04 0.33 -0.75 4.36 4.02 1xv9B1 GLN 110 HB2 0.03 0.07 -0.14 -0.04 2.15 2.06 1xv9B1 GLN 110 HB3 0.05 0.10 0.07 -0.04 2.02 2.20 1xv9B1 GLN 110 HG2 0.02 0.05 0.05 -0.04 2.40 2.48 1xv9B1 GLN 110 HG3 0.02 -0.15 0.05 -0.04 2.39 2.27 1xv9B1 GLN 110 HE21 0.01 0.09 -0.05 -0.04 6.97 6.98 1xv9B1 GLN 110 HE22 0.02 -0.01 -0.04 -0.04 7.69 7.61 1xv9B1 GLU 111 H 0.03 0.24 -0.72 -0.55 8.60 7.60 1xv9B1 GLU 111 HA 0.05 0.07 0.43 -0.75 4.29 4.09 1xv9B1 GLU 111 HB2 0.02 0.07 0.07 -0.04 2.09 2.22 1xv9B1 GLU 111 HB3 0.03 -0.03 0.00 -0.04 1.99 1.95 1xv9B1 GLU 111 HG2 0.02 0.61 0.12 -0.04 2.34 3.05 1xv9B1 GLU 111 HG3 0.02 -0.15 0.01 -0.04 2.34 2.18 1xv9B1 GLU 112 H 0.03 0.31 -0.08 -0.55 8.60 8.31 1xv9B1 GLU 112 HA 0.04 0.06 0.49 -0.75 4.29 4.12 1xv9B1 GLU 112 HB2 0.02 0.08 0.19 -0.04 2.09 2.35 1xv9B1 GLU 112 HB3 0.03 0.03 0.10 -0.04 1.99 2.11 1xv9B1 GLU 112 HG2 0.02 0.00 0.03 -0.04 2.34 2.35 1xv9B1 GLU 112 HG3 0.03 -0.03 -0.01 -0.04 2.34 2.29 1xv9B1 LEU 113 H 0.04 0.50 -0.19 -0.55 8.37 8.18 1xv9B1 LEU 113 HA 0.05 0.03 0.37 -0.75 4.35 4.04 1xv9B1 LEU 113 HB2 0.04 0.01 0.03 -0.04 1.64 1.67 1xv9B1 LEU 113 HB3 0.05 0.12 0.08 -0.04 1.64 1.85 1xv9B1 LEU 113 HG 0.07 -0.00 -0.19 -0.04 1.64 1.47 1xv9B1 LEU 113 HD13 0.06 -0.01 0.00 -0.04 0.93 0.94 1xv9B1 LEU 113 HD23 0.05 -0.00 -0.06 -0.04 0.89 0.84 1xv9B1 ILE 114 H 0.05 0.42 -0.23 -0.55 8.25 7.95 1xv9B1 ILE 114 HA 0.05 0.00 0.44 -0.75 4.18 3.91 1xv9B1 ILE 114 HB 0.06 0.16 0.10 -0.04 1.89 2.17 1xv9B1 ILE 114 HG12 0.04 -0.09 0.02 -0.04 1.49 1.43 1xv9B1 ILE 114 HG13 0.07 0.34 0.17 -0.04 1.21 1.74 1xv9B1 ILE 114 HG23 0.02 -0.02 0.02 -0.04 0.93 0.91 1xv9B1 ILE 114 HD13 0.13 -0.01 0.02 -0.04 0.88 0.98 1xv9B1 ARG 115 H 0.05 0.30 -0.35 -0.55 8.46 7.91 1xv9B1 ARG 115 HA 0.05 0.03 0.47 -0.75 4.34 4.14 1xv9B1 ARG 115 HB2 0.04 0.06 0.14 -0.04 1.90 2.10 1xv9B1 ARG 115 HB3 0.04 0.12 0.17 -0.04 1.80 2.10 1xv9B1 ARG 115 HG2 0.04 -0.00 -0.04 -0.04 1.67 1.63 1xv9B1 ARG 115 HG3 0.04 -0.03 0.11 -0.04 1.67 1.75 1xv9B1 ARG 115 HD2 0.03 0.00 0.01 -0.04 3.22 3.22 1xv9B1 ARG 115 HD3 0.03 -0.01 0.01 -0.04 3.22 3.21 1xv9B1 THR 116 H 0.06 0.41 -0.26 -0.55 8.28 7.95 1xv9B1 THR 116 HA 0.07 0.14 0.87 -0.75 4.39 4.71 1xv9B1 THR 116 HB 0.06 0.05 0.08 -0.04 4.32 4.47 1xv9B1 THR 116 HG23 0.05 0.00 0.09 -0.04 1.22 1.32 1xv9B1 LEU 117 H 0.09 0.36 -0.02 -0.55 8.37 8.25 1xv9B1 LEU 117 HA 0.19 0.11 0.47 -0.75 4.35 4.37 1xv9B1 LEU 117 HB2 0.08 0.09 0.21 -0.04 1.64 1.97 1xv9B1 LEU 117 HB3 0.12 -0.05 -0.07 -0.04 1.64 1.60 1xv9B1 LEU 117 HG 0.11 0.09 0.03 -0.04 1.64 1.82 1xv9B1 LEU 117 HD13 0.07 -0.03 -0.14 -0.04 0.93 0.78 1xv9B1 LEU 117 HD23 0.20 0.01 -0.03 -0.04 0.89 1.02 1xv9B1 LEU 118 H 0.10 0.39 -0.13 -0.55 8.37 8.19 1xv9B1 LEU 118 HA 0.18 0.02 0.52 -0.75 4.35 4.31 1xv9B1 LEU 118 HB2 0.07 0.14 0.09 -0.04 1.64 1.90 1xv9B1 LEU 118 HB3 0.10 0.01 -0.03 -0.04 1.64 1.67 1xv9B1 LEU 118 HG 0.02 -0.03 -0.00 -0.04 1.64 1.58 1xv9B1 LEU 118 HD13 -0.01 0.06 0.01 -0.04 0.93 0.95 1xv9B1 LEU 118 HD23 0.04 0.00 -0.00 -0.04 0.89 0.88 1xv9B1 GLY 119 H 0.11 0.16 -0.41 -0.55 8.43 7.75 1xv9B1 GLY 119 HA2 0.08 0.02 0.41 -0.51 4.01 4.01 1xv9B1 GLY 119 HA3 0.09 0.10 0.36 -0.51 4.01 4.05 1xv9B1 ALA 120 H 0.19 0.43 -0.23 -0.55 8.40 8.25 1xv9B1 ALA 120 HA 0.22 0.08 0.58 -0.75 4.34 4.48 1xv9B1 ALA 120 HB3 0.21 0.06 0.15 -0.04 1.41 1.78 1xv9B1 HIS 121 H 0.35 0.22 -0.25 -0.55 8.41 8.19 1xv9B1 HIS 121 HA -0.05 0.03 0.59 -0.75 4.63 4.45 1xv9B1 HIS 121 HB2 -0.10 0.06 0.10 -0.04 3.26 3.28 1xv9B1 HIS 121 HB3 0.06 -0.07 0.26 -0.04 3.20 3.40 1xv9B1 HIS 121 HD2 0.00 0.01 -0.17 -0.04 6.97 6.77 1xv9B1 HIS 121 HE1 -0.08 -0.00 -0.07 -0.04 7.75 7.56 1xv9B1 THR 122 H 0.16 0.73 0.08 -0.55 8.28 8.70 1xv9B1 THR 122 HA -0.11 0.06 0.48 -0.75 4.39 4.08 1xv9B1 THR 122 HB 0.06 0.14 0.07 -0.04 4.32 4.55 1xv9B1 THR 122 HG23 0.02 -0.02 0.00 -0.04 1.22 1.19 1xv9B1 ARG 123 H -0.01 0.16 -0.53 -0.55 8.46 7.53 1xv9B1 ARG 123 HA -0.12 0.07 0.56 -0.75 4.34 4.09 1xv9B1 ARG 123 HB2 -0.21 0.06 0.07 -0.04 1.90 1.79 1xv9B1 ARG 123 HB3 -0.42 -0.06 0.06 -0.04 1.80 1.34 1xv9B1 ARG 123 HG2 -0.06 -0.10 0.04 -0.04 1.67 1.51 1xv9B1 ARG 123 HG3 -0.02 0.09 0.10 -0.04 1.67 1.80 1xv9B1 ARG 123 HD2 0.02 0.03 -0.01 -0.04 3.22 3.22 1xv9B1 ARG 123 HD3 -0.03 -0.09 0.01 -0.04 3.22 3.07 1xv9B1 HIS 124 H -0.04 0.15 -0.37 -0.55 8.41 7.60 1xv9B1 HIS 124 HA 0.01 0.17 0.98 -0.75 4.63 5.04 1xv9B1 HIS 124 HB2 0.06 0.09 0.09 -0.04 3.26 3.47 1xv9B1 HIS 124 HB3 0.01 -0.07 0.00 -0.04 3.20 3.10 1xv9B1 HIS 124 HD2 0.16 0.29 0.03 -0.04 6.97 7.41 1xv9B1 HIS 124 HE1 0.04 -0.06 -0.05 -0.04 7.75 7.64 1xv9B1 MET 125 H -0.17 0.42 0.26 -0.55 8.47 8.43 1xv9B1 MET 125 HA -0.12 0.13 0.86 -0.75 4.52 4.64 1xv9B1 MET 125 HB2 -0.38 0.04 0.06 -0.04 2.15 1.83 1xv9B1 MET 125 HB3 -0.15 -0.09 0.13 -0.04 2.03 1.88 1xv9B1 MET 125 HG2 -0.15 0.01 -0.33 -0.04 2.63 2.12 1xv9B1 MET 125 HG3 -0.20 0.05 -0.03 -0.04 2.56 2.34 1xv9B1 MET 125 HE3 -0.62 -0.01 -0.02 -0.04 2.10 1.41 1xv9B1 GLY 126 H 0.10 0.15 0.07 -0.55 8.43 8.21 1xv9B1 GLY 126 HA2 0.11 0.06 0.39 -0.51 4.01 4.06 1xv9B1 GLY 126 HA3 -0.14 0.17 0.48 -0.51 4.01 4.00 1xv9B1 THR 127 H -0.01 0.72 -0.16 -0.55 8.28 8.27 1xv9B1 THR 127 HA 0.09 0.13 0.68 -0.75 4.39 4.54 1xv9B1 THR 127 HB 0.05 -0.04 0.10 -0.04 4.32 4.39 1xv9B1 THR 127 HG23 0.02 0.01 0.02 -0.04 1.22 1.23 1xv9B1 MET 128 H 0.11 0.07 -0.53 -0.55 8.47 7.57 1xv9B1 MET 128 HA 0.23 0.15 0.34 -0.75 4.52 4.48 1xv9B1 MET 128 HB2 0.16 0.02 0.06 -0.04 2.15 2.35 1xv9B1 MET 128 HB3 0.02 0.34 0.11 -0.04 2.03 2.46 1xv9B1 MET 128 HG2 -0.14 -0.20 -0.03 -0.04 2.63 2.22 1xv9B1 MET 128 HG3 -0.55 0.01 -0.33 -0.04 2.56 1.65 1xv9B1 MET 128 HE3 -0.59 -0.02 -0.04 -0.04 2.10 1.40 1xv9B1 PHE 129 H 0.38 0.20 -0.59 -0.55 8.34 7.78 1xv9B1 PHE 129 HA -1.34 0.09 0.41 -0.75 4.62 3.03 1xv9B1 PHE 129 HB2 -0.18 0.10 -0.03 -0.04 3.15 3.00 1xv9B1 PHE 129 HB3 -0.39 -0.04 0.02 -0.04 3.06 2.61 1xv9B1 PHE 129 HD2 -0.18 0.01 -0.13 -0.04 7.28 6.94 1xv9B1 PHE 129 HE2 -0.05 -0.14 -0.01 -0.04 7.38 7.15 1xv9B1 PHE 129 HZ -0.06 -0.07 -0.45 -0.04 7.32 6.70 1xv9B1 GLU 130 H 0.11 0.39 -0.36 -0.55 8.60 8.20 1xv9B1 GLU 130 HA 0.09 0.14 0.50 -0.75 4.29 4.27 1xv9B1 GLU 130 HB2 0.09 0.11 0.01 -0.04 2.09 2.26 1xv9B1 GLU 130 HB3 0.08 -0.02 0.14 -0.04 1.99 2.14 1xv9B1 GLU 130 HG2 0.08 -0.03 0.01 -0.04 2.34 2.37 1xv9B1 GLU 130 HG3 0.06 0.02 0.04 -0.04 2.34 2.41 1xv9B1 GLN 131 H 0.24 0.30 -0.64 -0.55 8.47 7.83 1xv9B1 GLN 131 HA 0.17 0.16 0.78 -0.75 4.36 4.71 1xv9B1 GLN 131 HB2 0.40 0.25 0.07 -0.04 2.15 2.82 1xv9B1 GLN 131 HB3 0.15 -0.03 0.03 -0.04 2.02 2.13 1xv9B1 GLN 131 HG2 0.09 -0.01 -0.01 -0.04 2.40 2.43 1xv9B1 GLN 131 HG3 0.16 0.00 -0.15 -0.04 2.39 2.35 1xv9B1 GLN 131 HE21 0.14 0.01 -0.01 -0.04 6.97 7.07 1xv9B1 GLN 131 HE22 0.03 -0.03 -0.00 -0.04 7.69 7.64 1xv9B1 PHE 132 H 0.55 0.25 -0.23 -0.55 8.34 8.36 1xv9B1 PHE 132 HA 0.33 0.07 0.37 -0.75 4.62 4.63 1xv9B1 PHE 132 HB2 0.27 0.17 0.10 -0.04 3.15 3.65 1xv9B1 PHE 132 HB3 0.36 -0.04 0.01 -0.04 3.06 3.35 1xv9B1 PHE 132 HD2 0.21 -0.07 -0.01 -0.04 7.28 7.38 1xv9B1 PHE 132 HE2 -0.12 -0.00 -0.12 -0.04 7.38 7.09 1xv9B1 PHE 132 HZ -0.59 -0.04 -0.08 -0.04 7.32 6.57 1xv9B1 VAL 133 H 0.32 0.16 -0.45 -0.55 8.24 7.72 1xv9B1 VAL 133 HA 0.24 0.07 0.33 -0.75 4.13 4.02 1xv9B1 VAL 133 HB 0.31 -0.00 0.07 -0.04 2.12 2.46 1xv9B1 VAL 133 HG13 0.20 0.00 0.02 -0.04 0.97 1.16 1xv9B1 VAL 133 HG23 0.15 0.02 -0.14 -0.04 0.95 0.93 1xv9B1 GLN 134 H 0.11 0.44 -0.49 -0.55 8.47 8.00 1xv9B1 GLN 134 HA -0.05 0.12 0.71 -0.75 4.36 4.39 1xv9B1 GLN 134 HB2 -0.54 0.04 0.07 -0.04 2.15 1.68 1xv9B1 GLN 134 HB3 -0.19 -0.05 0.15 -0.04 2.02 1.90 1xv9B1 GLN 134 HG2 -0.03 -0.04 -0.02 -0.04 2.40 2.27 1xv9B1 GLN 134 HG3 0.01 -0.00 0.01 -0.04 2.39 2.36 1xv9B1 GLN 134 HE21 -0.19 -0.03 0.02 -0.04 6.97 6.73 1xv9B1 GLN 134 HE22 -0.32 -0.03 0.04 -0.04 7.69 7.35 1xv9B1 PHE 135 H 0.28 0.37 -0.51 -0.55 8.34 7.93 1xv9B1 PHE 135 HA 0.03 0.16 0.80 -0.75 4.62 4.86 1xv9B1 PHE 135 HB2 0.25 0.13 0.11 -0.04 3.15 3.60 1xv9B1 PHE 135 HB3 0.08 -0.03 0.17 -0.04 3.06 3.24 1xv9B1 PHE 135 HD2 -0.06 0.06 -0.01 -0.04 7.28 7.23 1xv9B1 PHE 135 HE2 -0.39 0.02 -0.16 -0.04 7.38 6.80 1xv9B1 PHE 135 HZ -1.29 -0.03 -0.07 -0.04 7.32 5.88 1xv9B1 ARG 136 H 0.04 0.12 -0.48 -0.55 8.46 7.59 1xv9B1 ARG 136 HA 0.06 0.01 0.23 -0.75 4.34 3.90 1xv9B1 ARG 136 HB2 0.11 0.12 0.15 -0.04 1.90 2.25 1xv9B1 ARG 136 HB3 0.06 -0.06 0.07 -0.04 1.80 1.82 1xv9B1 ARG 136 HG2 0.03 -0.03 -0.06 -0.04 1.67 1.56 1xv9B1 ARG 136 HG3 0.03 -0.02 -0.30 -0.04 1.67 1.34 1xv9B1 ARG 136 HD2 0.11 0.14 -0.24 -0.04 3.22 3.19 1xv9B1 ARG 136 HD3 0.06 -0.05 -0.08 -0.04 3.22 3.11 1xv9B1 PRO 137 HA -0.67 0.13 0.49 -0.51 4.44 3.88 1xv9B1 PRO 137 HB2 -0.48 0.01 -0.05 -0.04 2.28 1.72 1xv9B1 PRO 137 HB3 -0.37 0.04 -0.03 -0.04 2.02 1.62 1xv9B1 PRO 137 HG2 0.42 -0.03 0.10 -0.04 2.03 2.48 1xv9B1 PRO 137 HG3 0.20 -0.04 0.14 -0.04 2.03 2.29 1xv9B1 PRO 137 HD2 0.14 0.05 0.16 -0.04 3.68 3.98 1xv9B1 PRO 137 HD3 0.15 -0.09 -0.18 -0.04 3.65 3.49 1xv9B1 PRO 138 HA 0.11 0.04 0.36 -0.51 4.44 4.44 1xv9B1 PRO 138 HB2 0.37 -0.07 -0.02 -0.04 2.28 2.51 1xv9B1 PRO 138 HB3 0.20 -0.01 0.06 -0.04 2.02 2.23 1xv9B1 PRO 138 HG2 0.20 -0.08 0.03 -0.04 2.03 2.14 1xv9B1 PRO 138 HG3 0.11 0.12 -0.19 -0.04 2.03 2.03 1xv9B1 PRO 138 HD2 -0.14 0.01 0.18 -0.04 3.68 3.69 1xv9B1 PRO 138 HD3 -0.13 0.38 0.30 -0.04 3.65 4.16 1xv9B1 ALA 139 H 0.16 0.12 0.15 -0.55 8.40 8.29 1xv9B1 ALA 139 HA 0.35 0.15 0.41 -0.75 4.34 4.50 1xv9B1 ALA 139 HB3 0.11 0.01 0.11 -0.04 1.41 1.60 1xv9B1 HIS 140 H 0.33 0.08 -0.06 -0.55 8.41 8.21 1xv9B1 HIS 140 HA 0.02 0.11 0.27 -0.75 4.63 4.28 1xv9B1 HIS 140 HB2 0.02 0.28 -0.05 -0.04 3.26 3.47 1xv9B1 HIS 140 HB3 0.03 -0.07 0.01 -0.04 3.20 3.13 1xv9B1 HIS 140 HD2 0.03 -0.03 -0.12 -0.04 6.97 6.80 1xv9B1 HIS 140 HE1 0.04 0.01 -0.05 -0.04 7.75 7.71 1xv9B1 LEU 141 H -0.41 0.21 -0.83 -0.55 8.37 6.80 1xv9B1 LEU 141 HA -0.48 0.08 0.38 -0.75 4.35 3.58 1xv9B1 LEU 141 HB2 -0.68 0.21 -0.04 -0.04 1.64 1.10 1xv9B1 LEU 141 HB3 -0.61 -0.13 -0.08 -0.04 1.64 0.78 1xv9B1 LEU 141 HG -0.54 -0.07 -0.10 -0.04 1.64 0.88 1xv9B1 LEU 141 HD13 -0.25 -0.00 -0.05 -0.04 0.93 0.58 1xv9B1 LEU 141 HD23 -0.38 -0.02 -0.08 -0.04 0.89 0.38 1xv9B1 PHE 142 H -0.17 0.45 -0.01 -0.55 8.34 8.06 1xv9B1 PHE 142 HA -0.15 0.14 0.42 -0.75 4.62 4.27 1xv9B1 PHE 142 HB2 -0.09 0.04 0.14 -0.04 3.15 3.20 1xv9B1 PHE 142 HB3 -0.10 -0.05 -0.01 -0.04 3.06 2.86 1xv9B1 PHE 142 HD2 -0.04 0.02 0.02 -0.04 7.28 7.24 1xv9B1 PHE 142 HE2 -0.01 0.12 -0.05 -0.04 7.38 7.39 1xv9B1 PHE 142 HZ -0.01 0.05 0.03 -0.04 7.32 7.36 1xv9B1 ILE 143 H 0.02 0.30 -0.19 -0.55 8.25 7.83 1xv9B1 ILE 143 HA -0.15 0.08 0.64 -0.75 4.18 3.98 1xv9B1 ILE 143 HB 0.04 -0.01 0.04 -0.04 1.89 1.92 1xv9B1 ILE 143 HG12 0.03 -0.03 -0.03 -0.04 1.49 1.42 1xv9B1 ILE 143 HG13 0.02 0.02 -0.01 -0.04 1.21 1.20 1xv9B1 ILE 143 HG23 0.07 -0.01 0.00 -0.04 0.93 0.96 1xv9B1 ILE 143 HD13 0.02 -0.00 -0.16 -0.04 0.88 0.69 1xv9B1 HIS 144 H -1.00 0.37 -0.09 -0.55 8.41 7.14 1xv9B1 HIS 144 HA -0.07 0.27 0.38 -0.75 4.63 4.46 1xv9B1 HIS 144 HB2 -0.20 -0.09 -0.04 -0.04 3.26 2.90 1xv9B1 HIS 144 HB3 -0.12 0.03 0.09 -0.04 3.20 3.16 1xv9B1 HIS 144 HD2 -0.27 -0.12 -0.01 -0.04 6.97 6.53 1xv9B1 HIS 144 HE1 -0.02 0.36 0.13 -0.04 7.75 8.17 1xv9B1 HIS 145 H 0.05 0.01 -0.58 -0.55 8.41 7.34 1xv9B1 HIS 145 HA 0.06 0.08 0.35 -0.75 4.63 4.36 1xv9B1 HIS 145 HB2 0.02 -0.01 -0.00 -0.04 3.26 3.23 1xv9B1 HIS 145 HB3 0.03 -0.01 0.12 -0.04 3.20 3.29 1xv9B1 HIS 145 HD2 0.02 -0.00 -0.00 -0.04 6.97 6.94 1xv9B1 HIS 145 HE1 0.04 -0.01 -0.02 -0.04 7.75 7.71 1xv9B1 GLN 146 H 0.08 0.36 -0.71 -0.55 8.47 7.66 1xv9B1 GLN 146 HA 0.07 0.02 0.37 -0.75 4.36 4.07 1xv9B1 GLN 146 HB2 0.07 0.12 0.06 -0.04 2.15 2.36 1xv9B1 GLN 146 HB3 0.08 -0.08 -0.17 -0.04 2.02 1.81 1xv9B1 GLN 146 HG2 0.05 -0.11 -0.05 -0.04 2.40 2.24 1xv9B1 GLN 146 HG3 0.05 0.30 -0.15 -0.04 2.39 2.55 1xv9B1 GLN 146 HE21 0.02 -0.06 -0.01 -0.04 6.97 6.88 1xv9B1 GLN 146 HE22 0.03 -0.01 -0.07 -0.04 7.69 7.59 1xv9B1 PRO 147 HA 0.16 0.10 0.51 -0.51 4.44 4.69 1xv9B1 PRO 147 HB2 0.05 0.06 0.01 -0.04 2.28 2.36 1xv9B1 PRO 147 HB3 0.06 -0.03 0.05 -0.04 2.02 2.05 1xv9B1 PRO 147 HG2 0.03 0.04 -0.12 -0.04 2.03 1.94 1xv9B1 PRO 147 HG3 0.03 0.01 0.00 -0.04 2.03 2.04 1xv9B1 PRO 147 HD2 0.05 0.10 0.17 -0.04 3.68 3.95 1xv9B1 PRO 147 HD3 0.05 0.13 0.06 -0.04 3.65 3.85 1xv9B1 LEU 148 H 0.02 0.04 0.06 -0.55 8.37 7.94 1xv9B1 LEU 148 HA -0.22 0.05 0.41 -0.75 4.35 3.83 1xv9B1 LEU 148 HB2 -0.28 -0.08 0.10 -0.04 1.64 1.34 1xv9B1 LEU 148 HB3 -0.10 0.06 0.02 -0.04 1.64 1.57 1xv9B1 LEU 148 HG -0.16 0.07 -0.08 -0.04 1.64 1.43 1xv9B1 LEU 148 HD13 -0.76 -0.01 0.02 -0.04 0.93 0.14 1xv9B1 LEU 148 HD23 -0.10 0.02 -0.04 -0.04 0.89 0.73 1xv9B1 PRO 149 HA -0.00 0.02 0.38 -0.51 4.44 4.33 1xv9B1 PRO 149 HB2 -0.02 -0.11 0.08 -0.04 2.28 2.19 1xv9B1 PRO 149 HB3 -0.00 0.02 0.09 -0.04 2.02 2.09 1xv9B1 PRO 149 HG2 -0.01 0.01 0.10 -0.04 2.03 2.09 1xv9B1 PRO 149 HG3 0.00 0.11 0.11 -0.04 2.03 2.21 1xv9B1 PRO 149 HD2 -0.08 0.04 0.19 -0.04 3.68 3.79 1xv9B1 PRO 149 HD3 -0.04 0.21 0.24 -0.04 3.65 4.02 1xv9B1 THR 150 H 0.00 0.10 0.15 -0.55 8.28 7.98 1xv9B1 THR 150 HA -0.00 0.12 0.35 -0.75 4.39 4.11 1xv9B1 THR 150 HB 0.00 -0.02 0.06 -0.04 4.32 4.32 1xv9B1 THR 150 HG23 0.00 0.01 0.04 -0.04 1.22 1.23 1xv9B1 LEU 151 H -0.00 -0.05 -0.32 -0.55 8.37 7.45 1xv9B1 LEU 151 HA -0.00 0.29 0.98 -0.75 4.35 4.87 1xv9B1 LEU 151 HB2 -0.00 -0.03 -0.03 -0.04 1.64 1.54 1xv9B1 LEU 151 HB3 -0.00 0.02 0.13 -0.04 1.64 1.74 1xv9B1 LEU 151 HG 0.00 -0.00 -0.03 -0.04 1.64 1.57 1xv9B1 LEU 151 HD13 0.00 0.01 -0.24 -0.04 0.93 0.66 1xv9B1 LEU 151 HD23 0.00 -0.04 -0.04 -0.04 0.89 0.77 1xv9B1 ALA 152 H -0.02 0.31 -0.23 -0.55 8.40 7.92 1xv9B1 ALA 152 HA -0.01 0.02 0.38 -0.75 4.34 3.98 1xv9B1 ALA 152 HB3 -0.03 -0.00 0.06 -0.04 1.41 1.39 1xv9B1 PRO 153 HA -0.00 0.08 0.59 -0.51 4.44 4.60 1xv9B1 PRO 153 HB2 0.01 -0.05 0.04 -0.04 2.28 2.24 1xv9B1 PRO 153 HB3 0.00 0.06 0.12 -0.04 2.02 2.16 1xv9B1 PRO 153 HG2 0.01 -0.00 0.11 -0.04 2.03 2.10 1xv9B1 PRO 153 HG3 0.01 0.04 0.09 -0.04 2.03 2.13 1xv9B1 PRO 153 HD2 -0.01 0.04 0.23 -0.04 3.68 3.90 1xv9B1 PRO 153 HD3 -0.00 0.13 0.20 -0.04 3.65 3.94 1xv9B1 VAL 154 H 0.00 0.13 0.19 -0.55 8.24 8.01 1xv9B1 VAL 154 HA 0.00 0.16 0.61 -0.75 4.13 4.15 1xv9B1 VAL 154 HB 0.01 -0.03 0.11 -0.04 2.12 2.16 1xv9B1 VAL 154 HG13 0.02 0.02 -0.14 -0.04 0.97 0.83 1xv9B1 VAL 154 HG23 -0.00 0.05 0.01 -0.04 0.95 0.97 1xv9B1 LEU 155 H 0.02 0.08 0.05 -0.55 8.37 7.97 1xv9B1 LEU 155 HA 0.04 -0.00 0.32 -0.75 4.35 3.96 1xv9B1 LEU 155 HB2 0.02 0.01 0.11 -0.04 1.64 1.74 1xv9B1 LEU 155 HB3 0.02 0.03 0.03 -0.04 1.64 1.68 1xv9B1 LEU 155 HG 0.03 0.04 -0.26 -0.04 1.64 1.41 1xv9B1 LEU 155 HD13 0.03 -0.02 0.04 -0.04 0.93 0.94 1xv9B1 LEU 155 HD23 0.01 0.01 -0.03 -0.04 0.89 0.85 1xv9B1 PRO 156 HA 0.07 0.09 0.43 -0.51 4.44 4.51 1xv9B1 PRO 156 HB2 0.06 0.01 0.03 -0.04 2.28 2.34 1xv9B1 PRO 156 HB3 0.06 0.04 0.06 -0.04 2.02 2.14 1xv9B1 PRO 156 HG2 0.02 0.07 -0.00 -0.04 2.03 2.09 1xv9B1 PRO 156 HG3 0.03 0.02 -0.01 -0.04 2.03 2.03 1xv9B1 PRO 156 HD2 0.03 0.34 -0.68 -0.04 3.68 3.32 1xv9B1 PRO 156 HD3 0.02 -0.04 -0.24 -0.04 3.65 3.35 1xv9B1 LEU 157 H 0.08 0.49 -0.06 -0.55 8.37 8.34 1xv9B1 LEU 157 HA 0.21 0.10 0.55 -0.75 4.35 4.45 1xv9B1 LEU 157 HB2 0.14 -0.03 0.14 -0.04 1.64 1.85 1xv9B1 LEU 157 HB3 0.11 0.17 0.20 -0.04 1.64 2.08 1xv9B1 LEU 157 HG 0.20 -0.02 -0.18 -0.04 1.64 1.59 1xv9B1 LEU 157 HD13 0.36 -0.02 0.02 -0.04 0.93 1.25 1xv9B1 LEU 157 HD23 0.14 -0.01 0.01 -0.04 0.89 0.99 1xv9B1 VAL 158 H 0.11 0.33 -0.06 -0.55 8.24 8.06 1xv9B1 VAL 158 HA 0.22 -0.01 0.40 -0.75 4.13 3.99 1xv9B1 VAL 158 HB 0.07 0.05 0.06 -0.04 2.12 2.26 1xv9B1 VAL 158 HG13 0.11 0.01 -0.06 -0.04 0.97 0.98 1xv9B1 VAL 158 HG23 0.05 0.02 -0.04 -0.04 0.95 0.94 1xv9B1 THR 159 H 0.11 0.58 -0.26 -0.55 8.28 8.16 1xv9B1 THR 159 HA 0.06 0.00 0.39 -0.75 4.39 4.09 1xv9B1 THR 159 HB 0.10 0.17 0.02 -0.04 4.32 4.57 1xv9B1 THR 159 HG23 0.05 -0.01 0.03 -0.04 1.22 1.25 1xv9B1 HIS 160 H 0.24 0.33 -0.52 -0.55 8.41 7.92 1xv9B1 HIS 160 HA 0.10 0.20 0.66 -0.75 4.63 4.83 1xv9B1 HIS 160 HB2 0.13 0.22 0.17 -0.04 3.26 3.74 1xv9B1 HIS 160 HB3 0.16 0.17 0.31 -0.04 3.20 3.80 1xv9B1 HIS 160 HD2 0.28 -0.07 -0.06 -0.04 6.97 7.08 1xv9B1 HIS 160 HE1 0.25 0.33 0.01 -0.04 7.75 8.29 1xv9B1 PHE 161 H 0.28 0.48 0.10 -0.55 8.34 8.64 1xv9B1 PHE 161 HA -0.19 -0.01 0.37 -0.75 4.62 4.04 1xv9B1 PHE 161 HB2 0.08 -0.03 0.09 -0.04 3.15 3.25 1xv9B1 PHE 161 HB3 0.04 0.13 0.28 -0.04 3.06 3.47 1xv9B1 PHE 161 HD2 -0.03 0.01 0.00 -0.04 7.28 7.23 1xv9B1 PHE 161 HE2 0.08 0.01 -0.08 -0.04 7.38 7.35 1xv9B1 PHE 161 HZ 0.50 0.00 -0.08 -0.04 7.32 7.69 1xv9B1 ALA 162 H -0.06 0.58 0.04 -0.55 8.40 8.42 1xv9B1 ALA 162 HA -0.65 -0.06 0.35 -0.75 4.34 3.22 1xv9B1 ALA 162 HB3 -0.12 0.03 -0.01 -0.04 1.41 1.27 1xv9B1 ASP 163 H -0.17 0.23 -1.04 -0.55 8.40 6.87 1xv9B1 ASP 163 HA -0.10 0.03 0.58 -0.75 4.63 4.39 1xv9B1 ASP 163 HB2 -0.04 0.18 0.33 -0.04 2.71 3.14 1xv9B1 ASP 163 HB3 0.08 -0.09 0.04 -0.04 2.70 2.68 1xv9B1 ILE 164 H -0.54 0.71 0.19 -0.55 8.25 8.06 1xv9B1 ILE 164 HA -0.88 0.07 0.55 -0.75 4.18 3.17 1xv9B1 ILE 164 HB -1.28 -0.08 0.08 -0.04 1.89 0.56 1xv9B1 ILE 164 HG12 -0.64 -0.07 -0.01 -0.04 1.49 0.72 1xv9B1 ILE 164 HG13 -0.58 0.31 0.24 -0.04 1.21 1.15 1xv9B1 ILE 164 HG23 -0.95 0.03 0.06 -0.04 0.93 0.02 1xv9B1 ILE 164 HD13 -0.40 -0.02 -0.23 -0.04 0.88 0.19 1xv9B1 ASN 165 H -0.49 0.50 -0.24 -0.55 8.53 7.76 1xv9B1 ASN 165 HA -0.36 0.04 0.47 -0.75 4.76 4.15 1xv9B1 ASN 165 HB2 -0.80 0.19 0.02 -0.04 2.88 2.25 1xv9B1 ASN 165 HB3 -0.40 0.01 0.05 -0.04 2.79 2.41 1xv9B1 ASN 165 HD21 -0.23 0.01 -0.03 -0.04 7.03 6.74 1xv9B1 ASN 165 HD22 -0.28 -0.06 0.12 -0.04 7.74 7.48 1xv9B1 THR 166 H -0.27 0.53 -0.05 -0.55 8.28 7.94 1xv9B1 THR 166 HA -0.13 -0.09 0.39 -0.75 4.39 3.81 1xv9B1 THR 166 HB -0.11 0.26 0.25 -0.04 4.32 4.67 1xv9B1 THR 166 HG23 -0.03 -0.02 -0.06 -0.04 1.22 1.07 1xv9B1 PHE 167 H -0.16 0.38 -0.50 -0.55 8.34 7.51 1xv9B1 PHE 167 HA -0.13 0.03 0.42 -0.75 4.62 4.19 1xv9B1 PHE 167 HB2 -0.26 0.03 0.08 -0.04 3.15 2.96 1xv9B1 PHE 167 HB3 -0.70 0.01 0.20 -0.04 3.06 2.53 1xv9B1 PHE 167 HD2 -0.43 -0.01 0.01 -0.04 7.28 6.81 1xv9B1 PHE 167 HE2 0.16 0.03 -0.05 -0.04 7.38 7.48 1xv9B1 PHE 167 HZ 0.14 -0.01 0.00 -0.04 7.32 7.41 1xv9B1 MET 168 H -0.42 0.58 -0.19 -0.55 8.47 7.89 1xv9B1 MET 168 HA -0.81 0.01 0.47 -0.75 4.52 3.43 1xv9B1 MET 168 HB2 -0.37 0.11 0.30 -0.04 2.15 2.14 1xv9B1 MET 168 HB3 -0.34 -0.09 -0.02 -0.04 2.03 1.55 1xv9B1 MET 168 HG2 -0.42 -0.09 0.03 -0.04 2.63 2.12 1xv9B1 MET 168 HG3 -0.52 0.28 0.11 -0.04 2.56 2.39 1xv9B1 MET 168 HE3 -0.33 0.02 -0.10 -0.04 2.10 1.64 1xv9B1 VAL 169 H -0.25 0.68 -0.04 -0.55 8.24 8.08 1xv9B1 VAL 169 HA -0.16 -0.01 0.31 -0.75 4.13 3.52 1xv9B1 VAL 169 HB -0.12 0.10 -0.02 -0.04 2.12 2.05 1xv9B1 VAL 169 HG13 -0.07 -0.02 -0.08 -0.04 0.97 0.76 1xv9B1 VAL 169 HG23 -0.13 0.06 -0.03 -0.04 0.95 0.80 1xv9B1 LEU 170 H -0.20 0.29 -0.82 -0.55 8.37 7.10 1xv9B1 LEU 170 HA -0.07 0.00 0.49 -0.75 4.35 4.02 1xv9B1 LEU 170 HB2 -0.05 0.29 0.18 -0.04 1.64 2.02 1xv9B1 LEU 170 HB3 0.01 -0.08 0.03 -0.04 1.64 1.56 1xv9B1 LEU 170 HG -0.05 0.71 0.21 -0.04 1.64 2.47 1xv9B1 LEU 170 HD13 0.11 -0.06 -0.05 -0.04 0.93 0.89 1xv9B1 LEU 170 HD23 -0.01 -0.05 -0.01 -0.04 0.89 0.78 1xv9B1 GLN 171 H -0.32 0.51 0.02 -0.55 8.47 8.14 1xv9B1 GLN 171 HA -0.07 0.03 0.51 -0.75 4.36 4.08 1xv9B1 GLN 171 HB2 -0.33 0.04 0.14 -0.04 2.15 1.96 1xv9B1 GLN 171 HB3 -0.11 0.02 -0.10 -0.04 2.02 1.79 1xv9B1 GLN 171 HG2 -0.69 0.20 0.13 -0.04 2.40 1.99 1xv9B1 GLN 171 HG3 -0.42 -0.04 0.07 -0.04 2.39 1.96 1xv9B1 GLN 171 HE21 0.26 -0.02 0.00 -0.04 6.97 7.17 1xv9B1 GLN 171 HE22 0.47 0.01 -0.00 -0.04 7.69 8.13 1xv9B1 VAL 172 H -0.17 0.54 -0.14 -0.55 8.24 7.91 1xv9B1 VAL 172 HA -0.03 -0.00 0.31 -0.75 4.13 3.65 1xv9B1 VAL 172 HB -0.10 0.15 0.08 -0.04 2.12 2.21 1xv9B1 VAL 172 HG13 -0.05 -0.02 -0.11 -0.04 0.97 0.75 1xv9B1 VAL 172 HG23 -0.15 0.06 -0.08 -0.04 0.95 0.75 1xv9B1 ILE 173 H -0.09 0.41 -0.40 -0.55 8.25 7.63 1xv9B1 ILE 173 HA -0.09 -0.01 0.41 -0.75 4.18 3.74 1xv9B1 ILE 173 HB -0.06 0.18 0.17 -0.04 1.89 2.14 1xv9B1 ILE 173 HG12 -0.04 -0.07 0.00 -0.04 1.49 1.35 1xv9B1 ILE 173 HG13 -0.06 0.15 0.07 -0.04 1.21 1.33 1xv9B1 ILE 173 HG23 -0.03 -0.02 -0.18 -0.04 0.93 0.65 1xv9B1 ILE 173 HD13 -0.02 -0.02 -0.03 -0.04 0.88 0.77 1xv9B1 LYS 174 H -0.11 0.57 -0.03 -0.55 8.42 8.28 1xv9B1 LYS 174 HA -0.20 -0.03 0.38 -0.75 4.32 3.71 1xv9B1 LYS 174 HB2 -0.21 0.07 0.22 -0.04 1.87 1.91 1xv9B1 LYS 174 HB3 -1.04 -0.01 -0.03 -0.04 1.79 0.68 1xv9B1 LYS 174 HG2 -0.05 -0.06 0.05 -0.04 1.46 1.35 1xv9B1 LYS 174 HG3 -0.04 0.09 0.04 -0.04 1.46 1.51 1xv9B1 LYS 174 HD2 0.16 0.02 0.01 -0.04 1.69 1.83 1xv9B1 LYS 174 HD3 0.30 0.01 0.01 -0.04 1.68 1.96 1xv9B1 LYS 174 HE2 0.09 -0.04 -0.00 -0.04 2.99 2.99 1xv9B1 LYS 174 HE3 0.09 -0.01 -0.03 -0.04 2.99 3.00 1xv9B1 PHE 175 H -0.05 0.59 -0.46 -0.55 8.34 7.86 1xv9B1 PHE 175 HA -0.10 0.07 0.40 -0.75 4.62 4.23 1xv9B1 PHE 175 HB2 -0.04 -0.05 0.03 -0.04 3.15 3.06 1xv9B1 PHE 175 HB3 -0.13 0.34 0.19 -0.04 3.06 3.42 1xv9B1 PHE 175 HD2 -0.02 0.09 -0.24 -0.04 7.28 7.07 1xv9B1 PHE 175 HE2 -0.01 0.06 -0.06 -0.04 7.38 7.33 1xv9B1 PHE 175 HZ 0.01 -0.06 -0.05 -0.04 7.32 7.17 1xv9B1 THR 176 H -0.19 0.46 -0.05 -0.55 8.28 7.95 1xv9B1 THR 176 HA -0.70 0.01 0.37 -0.75 4.39 3.32 1xv9B1 THR 176 HB -1.19 -0.09 0.03 -0.04 4.32 3.03 1xv9B1 THR 176 HG23 -0.55 0.04 -0.01 -0.04 1.22 0.65 1xv9B1 LYS 177 H -0.15 0.41 -0.49 -0.55 8.42 7.64 1xv9B1 LYS 177 HA 0.05 0.05 0.61 -0.75 4.32 4.28 1xv9B1 LYS 177 HB2 -0.06 0.18 0.07 -0.04 1.87 2.01 1xv9B1 LYS 177 HB3 0.00 -0.07 0.06 -0.04 1.79 1.74 1xv9B1 LYS 177 HG2 0.05 -0.05 -0.07 -0.04 1.46 1.34 1xv9B1 LYS 177 HG3 -0.03 0.23 -0.04 -0.04 1.46 1.58 1xv9B1 LYS 177 HD2 0.01 -0.04 -0.00 -0.04 1.69 1.62 1xv9B1 LYS 177 HD3 0.02 -0.05 -0.04 -0.04 1.68 1.57 1xv9B1 LYS 177 HE2 -0.03 0.02 -0.12 -0.04 2.99 2.82 1xv9B1 LYS 177 HE3 -0.02 0.03 -0.02 -0.04 2.99 2.94 1xv9B1 ASP 178 H -0.10 0.41 -0.32 -0.55 8.40 7.84 1xv9B1 ASP 178 HA 0.04 0.07 0.59 -0.75 4.63 4.57 1xv9B1 ASP 178 HB2 0.10 0.18 0.19 -0.04 2.71 3.14 1xv9B1 ASP 178 HB3 0.09 -0.09 0.25 -0.04 2.70 2.91 1xv9B1 LEU 179 H 0.01 0.36 -1.01 -0.55 8.37 7.18 1xv9B1 LEU 179 HA 0.01 0.18 0.78 -0.75 4.35 4.57 1xv9B1 LEU 179 HB2 0.09 0.15 0.10 -0.04 1.64 1.94 1xv9B1 LEU 179 HB3 0.09 -0.21 0.02 -0.04 1.64 1.50 1xv9B1 LEU 179 HG -0.35 0.13 -0.32 -0.04 1.64 1.05 1xv9B1 LEU 179 HD13 -0.43 -0.02 -0.03 -0.04 0.93 0.41 1xv9B1 LEU 179 HD23 -0.21 0.11 -0.07 -0.04 0.89 0.68 1xv9B1 PRO 180 HA 0.03 0.14 0.42 -0.51 4.44 4.53 1xv9B1 PRO 180 HB2 0.03 -0.05 0.08 -0.04 2.28 2.30 1xv9B1 PRO 180 HB3 0.02 0.06 0.05 -0.04 2.02 2.12 1xv9B1 PRO 180 HG2 0.03 0.04 0.05 -0.04 2.03 2.12 1xv9B1 PRO 180 HG3 0.03 0.10 0.01 -0.04 2.03 2.13 1xv9B1 PRO 180 HD2 0.05 0.03 0.19 -0.04 3.68 3.90 1xv9B1 PRO 180 HD3 0.04 0.30 0.10 -0.04 3.65 4.05 1xv9B1 VAL 181 H 0.07 0.14 -0.05 -0.55 8.24 7.85 1xv9B1 VAL 181 HA 0.02 0.10 0.33 -0.75 4.13 3.82 1xv9B1 VAL 181 HB 0.13 0.02 -0.02 -0.04 2.12 2.21 1xv9B1 VAL 181 HG13 -0.13 0.01 -0.10 -0.04 0.97 0.70 1xv9B1 VAL 181 HG23 -0.00 0.00 0.02 -0.04 0.95 0.93 1xv9B1 PHE 182 H 0.27 0.07 -0.33 -0.55 8.34 7.80 1xv9B1 PHE 182 HA 0.18 0.05 0.47 -0.75 4.62 4.57 1xv9B1 PHE 182 HB2 0.06 -0.09 0.07 -0.04 3.15 3.15 1xv9B1 PHE 182 HB3 -0.03 0.35 0.11 -0.04 3.06 3.46 1xv9B1 PHE 182 HD2 -0.01 0.04 -0.14 -0.04 7.28 7.14 1xv9B1 PHE 182 HE2 -0.08 -0.00 -0.08 -0.04 7.38 7.18 1xv9B1 PHE 182 HZ -0.05 0.19 0.08 -0.04 7.32 7.50 1xv9B1 ARG 183 H 0.12 0.59 -0.06 -0.55 8.46 8.55 1xv9B1 ARG 183 HA -0.01 0.02 0.47 -0.75 4.34 4.07 1xv9B1 ARG 183 HB2 0.03 0.07 0.16 -0.04 1.90 2.13 1xv9B1 ARG 183 HB3 0.02 -0.09 0.10 -0.04 1.80 1.78 1xv9B1 ARG 183 HG2 0.08 0.11 0.19 -0.04 1.67 2.02 1xv9B1 ARG 183 HG3 0.04 0.04 0.12 -0.04 1.67 1.83 1xv9B1 ARG 183 HD2 0.05 -0.03 0.06 -0.04 3.22 3.27 1xv9B1 ARG 183 HD3 0.11 -0.02 0.06 -0.04 3.22 3.34 1xv9B1 SER 184 H -0.00 0.12 -0.75 -0.55 8.46 7.28 1xv9B1 SER 184 HA -0.03 0.02 0.47 -0.75 4.49 4.19 1xv9B1 SER 184 HB2 -0.01 -0.07 0.04 -0.04 3.95 3.87 1xv9B1 SER 184 HB3 -0.00 0.01 0.19 -0.04 3.93 4.08 1xv9B1 LEU 185 H -0.16 0.50 -0.45 -0.55 8.37 7.71 1xv9B1 LEU 185 HA -0.08 0.06 0.75 -0.75 4.35 4.33 1xv9B1 LEU 185 HB2 -0.40 0.17 0.09 -0.04 1.64 1.46 1xv9B1 LEU 185 HB3 -0.16 -0.12 -0.01 -0.04 1.64 1.31 1xv9B1 LEU 185 HG -0.06 0.28 0.01 -0.04 1.64 1.83 1xv9B1 LEU 185 HD13 0.01 -0.03 -0.07 -0.04 0.93 0.79 1xv9B1 LEU 185 HD23 -0.04 -0.04 -0.04 -0.04 0.89 0.73 1xv9B1 PRO 186 HA -0.06 0.12 0.47 -0.51 4.44 4.46 1xv9B1 PRO 186 HB2 -0.04 -0.07 0.05 -0.04 2.28 2.18 1xv9B1 PRO 186 HB3 -0.03 0.10 0.14 -0.04 2.02 2.19 1xv9B1 PRO 186 HG2 -0.04 -0.11 0.11 -0.04 2.03 1.94 1xv9B1 PRO 186 HG3 -0.03 0.06 0.09 -0.04 2.03 2.11 1xv9B1 PRO 186 HD2 -0.06 0.04 0.25 -0.04 3.68 3.87 1xv9B1 PRO 186 HD3 -0.05 0.22 0.21 -0.04 3.65 3.99 1xv9B1 ILE 187 H -0.05 0.20 0.21 -0.55 8.25 8.06 1xv9B1 ILE 187 HA -0.07 0.14 0.40 -0.75 4.18 3.90 1xv9B1 ILE 187 HB -0.02 -0.04 0.12 -0.04 1.89 1.91 1xv9B1 ILE 187 HG12 -0.03 -0.04 0.19 -0.04 1.49 1.57 1xv9B1 ILE 187 HG13 -0.02 0.03 0.08 -0.04 1.21 1.26 1xv9B1 ILE 187 HG23 -0.01 0.02 -0.06 -0.04 0.93 0.84 1xv9B1 ILE 187 HD13 -0.03 0.04 0.07 -0.04 0.88 0.92 1xv9B1 GLU 188 H -0.03 0.10 -0.17 -0.55 8.60 7.96 1xv9B1 GLU 188 HA -0.01 0.08 0.38 -0.75 4.29 3.99 1xv9B1 GLU 188 HB2 -0.02 -0.02 -0.02 -0.04 2.09 2.00 1xv9B1 GLU 188 HB3 -0.01 0.10 0.10 -0.04 1.99 2.14 1xv9B1 GLU 188 HG2 -0.01 0.05 0.05 -0.04 2.34 2.39 1xv9B1 GLU 188 HG3 -0.02 -0.12 0.08 -0.04 2.34 2.24 1xv9B1 ASP 189 H -0.05 0.51 -0.48 -0.55 8.40 7.83 1xv9B1 ASP 189 HA -0.00 0.17 0.71 -0.75 4.63 4.75 1xv9B1 ASP 189 HB2 -0.08 0.23 0.04 -0.04 2.71 2.86 1xv9B1 ASP 189 HB3 -0.02 -0.01 -0.03 -0.04 2.70 2.60 1xv9B1 GLN 190 H -0.13 0.35 -0.00 -0.55 8.47 8.15 1xv9B1 GLN 190 HA -0.31 0.05 0.38 -0.75 4.36 3.73 1xv9B1 GLN 190 HB2 -0.06 0.00 0.12 -0.04 2.15 2.18 1xv9B1 GLN 190 HB3 0.02 0.00 -0.01 -0.04 2.02 1.99 1xv9B1 GLN 190 HG2 -0.81 0.02 -0.02 -0.04 2.40 1.55 1xv9B1 GLN 190 HG3 -0.24 0.03 -0.32 -0.04 2.39 1.82 1xv9B1 GLN 190 HE21 -0.06 -0.04 0.04 -0.04 6.97 6.87 1xv9B1 GLN 190 HE22 -0.11 -0.14 -0.06 -0.04 7.69 7.34 1xv9B1 ILE 191 H 0.01 0.59 -0.16 -0.55 8.25 8.14 1xv9B1 ILE 191 HA 0.05 0.04 0.39 -0.75 4.18 3.91 1xv9B1 ILE 191 HB 0.01 0.05 0.05 -0.04 1.89 1.96 1xv9B1 ILE 191 HG12 0.02 -0.02 -0.00 -0.04 1.49 1.45 1xv9B1 ILE 191 HG13 0.01 0.14 0.06 -0.04 1.21 1.38 1xv9B1 ILE 191 HG23 0.01 0.01 -0.13 -0.04 0.93 0.78 1xv9B1 ILE 191 HD13 0.00 -0.02 -0.06 -0.04 0.88 0.76 1xv9B1 SER 192 H 0.02 0.28 -0.24 -0.55 8.46 7.97 1xv9B1 SER 192 HA 0.03 0.05 0.35 -0.75 4.49 4.17 1xv9B1 SER 192 HB2 0.03 -0.06 -0.06 -0.04 3.95 3.82 1xv9B1 SER 192 HB3 0.03 0.27 0.01 -0.04 3.93 4.19 1xv9B1 LEU 193 H 0.09 0.51 -0.51 -0.55 8.37 7.93 1xv9B1 LEU 193 HA 0.07 0.12 0.62 -0.75 4.35 4.41 1xv9B1 LEU 193 HB2 0.34 0.11 0.12 -0.04 1.64 2.16 1xv9B1 LEU 193 HB3 0.21 -0.06 -0.02 -0.04 1.64 1.72 1xv9B1 LEU 193 HG 0.11 0.06 -0.05 -0.04 1.64 1.72 1xv9B1 LEU 193 HD13 0.31 -0.05 -0.13 -0.04 0.93 1.02 1xv9B1 LEU 193 HD23 0.11 0.05 0.03 -0.04 0.89 1.04 1xv9B1 LEU 194 H 0.11 0.50 -0.05 -0.55 8.37 8.38 1xv9B1 LEU 194 HA -0.02 -0.07 0.69 -0.75 4.35 4.19 1xv9B1 LEU 194 HB2 0.08 0.19 0.26 -0.04 1.64 2.13 1xv9B1 LEU 194 HB3 0.01 -0.03 0.01 -0.04 1.64 1.59 1xv9B1 LEU 194 HG -0.04 -0.05 0.01 -0.04 1.64 1.51 1xv9B1 LEU 194 HD13 -0.15 -0.01 -0.06 -0.04 0.93 0.67 1xv9B1 LEU 194 HD23 0.10 0.01 -0.06 -0.04 0.89 0.90 1xv9B1 LYS 195 H 0.03 0.80 0.12 -0.55 8.42 8.81 1xv9B1 LYS 195 HA 0.01 -0.03 0.48 -0.75 4.32 4.04 1xv9B1 LYS 195 HB2 0.02 0.04 0.04 -0.04 1.87 1.92 1xv9B1 LYS 195 HB3 0.02 0.12 0.09 -0.04 1.79 1.98 1xv9B1 LYS 195 HG2 0.01 0.02 0.00 -0.04 1.46 1.46 1xv9B1 LYS 195 HG3 0.02 0.22 0.04 -0.04 1.46 1.71 1xv9B1 LYS 195 HD2 0.01 -0.10 -0.13 -0.04 1.69 1.43 1xv9B1 LYS 195 HD3 0.02 -0.06 -0.26 -0.04 1.68 1.34 1xv9B1 LYS 195 HE2 0.01 -0.06 -0.05 -0.04 2.99 2.85 1xv9B1 LYS 195 HE3 0.01 0.07 -0.05 -0.04 2.99 2.98 1xv9B1 GLY 196 H 0.02 0.16 -0.56 -0.55 8.43 7.51 1xv9B1 GLY 196 HA2 0.02 0.09 0.64 -0.51 4.01 4.24 1xv9B1 GLY 196 HA3 0.02 0.06 0.31 -0.51 4.01 3.89 1xv9B1 ALA 197 H -0.00 0.39 -0.11 -0.55 8.40 8.13 1xv9B1 ALA 197 HA -0.02 0.13 0.77 -0.75 4.34 4.47 1xv9B1 ALA 197 HB3 -0.06 0.04 0.05 -0.04 1.41 1.40 1xv9B1 ALA 198 H -0.04 0.28 0.18 -0.55 8.40 8.28 1xv9B1 ALA 198 HA -0.07 -0.06 0.33 -0.75 4.34 3.79 1xv9B1 ALA 198 HB3 -0.04 -0.00 0.07 -0.04 1.41 1.40 1xv9B1 VAL 199 H -0.01 0.26 -0.21 -0.55 8.24 7.73 1xv9B1 VAL 199 HA -0.12 -0.01 0.45 -0.75 4.13 3.70 1xv9B1 VAL 199 HB 0.04 0.10 0.08 -0.04 2.12 2.30 1xv9B1 VAL 199 HG13 -0.03 -0.01 -0.18 -0.04 0.97 0.71 1xv9B1 VAL 199 HG23 0.09 0.01 -0.02 -0.04 0.95 0.99 1xv9B1 GLU 200 H -0.01 0.35 0.04 -0.55 8.60 8.45 1xv9B1 GLU 200 HA 0.02 -0.04 0.42 -0.75 4.29 3.94 1xv9B1 GLU 200 HB2 -0.02 0.24 0.21 -0.04 2.09 2.49 1xv9B1 GLU 200 HB3 -0.02 -0.07 -0.02 -0.04 1.99 1.84 1xv9B1 GLU 200 HG2 -0.07 -0.15 -0.01 -0.04 2.34 2.07 1xv9B1 GLU 200 HG3 -0.02 -0.06 0.12 -0.04 2.34 2.35 1xv9B1 ILE 201 H -0.04 0.46 -0.44 -0.55 8.25 7.68 1xv9B1 ILE 201 HA -0.02 -0.01 0.28 -0.75 4.18 3.67 1xv9B1 ILE 201 HB -0.07 0.19 -0.08 -0.04 1.89 1.89 1xv9B1 ILE 201 HG12 -0.03 0.02 -0.06 -0.04 1.49 1.39 1xv9B1 ILE 201 HG13 -0.04 0.04 -0.23 -0.04 1.21 0.95 1xv9B1 ILE 201 HG23 -0.07 -0.03 -0.16 -0.04 0.93 0.64 1xv9B1 ILE 201 HD13 -0.07 -0.01 -0.16 -0.04 0.88 0.60 1xv9B1 CYS 202 H -0.11 0.48 -0.29 -0.55 8.50 8.03 1xv9B1 CYS 202 HA -0.12 -0.01 0.48 -0.75 4.58 4.17 1xv9B1 CYS 202 HB2 -0.28 0.21 0.20 -0.04 2.97 3.05 1xv9B1 CYS 202 HB3 -0.27 -0.08 -0.01 -0.04 2.97 2.57 1xv9B1 HIS 203 H -0.12 0.46 -0.03 -0.55 8.41 8.16 1xv9B1 HIS 203 HA 0.12 -0.04 0.32 -0.75 4.63 4.28 1xv9B1 HIS 203 HB2 -0.08 0.20 0.14 -0.04 3.26 3.48 1xv9B1 HIS 203 HB3 0.07 -0.03 -0.09 -0.04 3.20 3.10 1xv9B1 HIS 203 HD2 -0.18 0.06 -0.12 -0.04 6.97 6.69 1xv9B1 HIS 203 HE1 -0.20 -0.03 -0.06 -0.04 7.75 7.41 1xv9B1 ILE 204 H 0.08 0.47 -0.28 -0.55 8.25 7.97 1xv9B1 ILE 204 HA 0.04 -0.00 0.28 -0.75 4.18 3.74 1xv9B1 ILE 204 HB -0.02 0.12 0.06 -0.04 1.89 2.01 1xv9B1 ILE 204 HG12 0.09 -0.07 -0.06 -0.04 1.49 1.40 1xv9B1 ILE 204 HG13 0.04 0.53 0.06 -0.04 1.21 1.80 1xv9B1 ILE 204 HG23 0.01 -0.03 -0.13 -0.04 0.93 0.74 1xv9B1 ILE 204 HD13 0.02 -0.04 -0.20 -0.04 0.88 0.62 1xv9B1 VAL 205 H -0.01 0.46 -0.15 -0.55 8.24 7.99 1xv9B1 VAL 205 HA -0.12 0.00 0.38 -0.75 4.13 3.64 1xv9B1 VAL 205 HB 0.10 0.06 0.17 -0.04 2.12 2.41 1xv9B1 VAL 205 HG13 0.27 -0.05 -0.01 -0.04 0.97 1.15 1xv9B1 VAL 205 HG23 -0.06 0.10 0.08 -0.04 0.95 1.04 1xv9B1 LEU 206 H 0.15 0.82 0.01 -0.55 8.37 8.80 1xv9B1 LEU 206 HA 0.63 -0.07 0.32 -0.75 4.35 4.48 1xv9B1 LEU 206 HB2 0.07 0.03 0.00 -0.04 1.64 1.70 1xv9B1 LEU 206 HB3 0.33 0.14 0.13 -0.04 1.64 2.20 1xv9B1 LEU 206 HG 0.36 -0.03 -0.25 -0.04 1.64 1.68 1xv9B1 LEU 206 HD13 0.01 -0.02 -0.04 -0.04 0.93 0.84 1xv9B1 LEU 206 HD23 -0.52 -0.01 -0.10 -0.04 0.89 0.22 1xv9B1 ASN 207 H 0.21 0.68 -0.25 -0.55 8.53 8.62 1xv9B1 ASN 207 HA 0.45 -0.10 0.33 -0.75 4.76 4.68 1xv9B1 ASN 207 HB2 -0.16 -0.01 0.07 -0.04 2.88 2.74 1xv9B1 ASN 207 HB3 -0.13 0.22 0.04 -0.04 2.79 2.87 1xv9B1 ASN 207 HD21 -0.35 0.17 0.17 -0.04 7.03 6.98 1xv9B1 ASN 207 HD22 -0.55 -0.09 0.07 -0.04 7.74 7.13 1xv9B1 THR 208 H -0.17 0.64 -0.40 -0.55 8.28 7.80 1xv9B1 THR 208 HA -0.04 0.06 0.51 -0.75 4.39 4.17 1xv9B1 THR 208 HB -0.14 -0.09 0.14 -0.04 4.32 4.20 1xv9B1 THR 208 HG23 -0.63 0.03 0.09 -0.04 1.22 0.67 1xv9B1 THR 209 H -0.03 0.55 -0.08 -0.55 8.28 8.17 1xv9B1 THR 209 HA -0.11 0.16 0.79 -0.75 4.39 4.49 1xv9B1 THR 209 HB 0.02 0.06 -0.10 -0.04 4.32 4.26 1xv9B1 THR 209 HG23 -0.63 -0.02 -0.03 -0.04 1.22 0.51 1xv9B1 PHE 210 H 0.18 0.13 -0.17 -0.55 8.34 7.93 1xv9B1 PHE 210 HA -0.43 -0.01 0.31 -0.75 4.62 3.74 1xv9B1 PHE 210 HB2 -0.18 -0.07 0.07 -0.04 3.15 2.92 1xv9B1 PHE 210 HB3 -0.09 0.15 0.06 -0.04 3.06 3.14 1xv9B1 PHE 210 HD2 -0.99 -0.04 -0.31 -0.04 7.28 5.90 1xv9B1 PHE 210 HE2 -0.31 -0.00 -0.18 -0.04 7.38 6.84 1xv9B1 PHE 210 HZ 0.13 0.03 -0.08 -0.04 7.32 7.36 1xv9B1 CYS 211 H -0.70 0.61 0.31 -0.55 8.50 8.16 1xv9B1 CYS 211 HA -0.13 0.20 0.91 -0.75 4.58 4.80 1xv9B1 CYS 211 HB2 -0.17 0.17 0.12 -0.04 2.97 3.05 1xv9B1 CYS 211 HB3 -0.28 -0.15 0.25 -0.04 2.97 2.74 1xv9B1 LEU 212 H -0.01 0.27 0.09 -0.55 8.37 8.17 1xv9B1 LEU 212 HA 0.14 0.09 0.31 -0.75 4.35 4.14 1xv9B1 LEU 212 HB2 0.02 -0.07 0.14 -0.04 1.64 1.68 1xv9B1 LEU 212 HB3 0.04 0.03 -0.03 -0.04 1.64 1.64 1xv9B1 LEU 212 HG 0.12 0.06 -0.01 -0.04 1.64 1.77 1xv9B1 LEU 212 HD13 0.03 0.02 -0.05 -0.04 0.93 0.89 1xv9B1 LEU 212 HD23 0.12 -0.00 -0.04 -0.04 0.89 0.93 1xv9B1 GLN 213 H -0.05 0.05 -0.12 -0.55 8.47 7.80 1xv9B1 GLN 213 HA -0.03 0.08 0.33 -0.75 4.36 3.99 1xv9B1 GLN 213 HB2 -0.06 -0.17 0.13 -0.04 2.15 2.01 1xv9B1 GLN 213 HB3 -0.04 0.06 -0.03 -0.04 2.02 1.97 1xv9B1 GLN 213 HG2 -0.02 0.03 0.03 -0.04 2.40 2.40 1xv9B1 GLN 213 HG3 -0.03 -0.03 0.07 -0.04 2.39 2.35 1xv9B1 GLN 213 HE21 -0.02 0.02 0.01 -0.04 6.97 6.94 1xv9B1 GLN 213 HE22 -0.03 -0.00 0.03 -0.04 7.69 7.65 1xv9B1 THR 214 H -0.11 0.02 -0.07 -0.55 8.28 7.57 1xv9B1 THR 214 HA -0.08 0.08 0.37 -0.75 4.39 4.00 1xv9B1 THR 214 HB -0.13 0.03 -0.05 -0.04 4.32 4.13 1xv9B1 THR 214 HG23 -0.10 -0.00 0.00 -0.04 1.22 1.08 1xv9B1 GLN 215 H -0.27 0.54 -0.26 -0.55 8.47 7.93 1xv9B1 GLN 215 HA -0.44 0.07 0.25 -0.75 4.36 3.47 1xv9B1 GLN 215 HB2 -0.04 0.10 -0.24 -0.04 2.15 1.94 1xv9B1 GLN 215 HB3 -0.08 0.12 0.46 -0.04 2.02 2.48 1xv9B1 GLN 215 HG2 0.01 -0.08 0.08 -0.04 2.40 2.37 1xv9B1 GLN 215 HG3 0.30 -0.08 0.13 -0.04 2.39 2.70 1xv9B1 GLN 215 HE21 0.36 -0.03 0.01 -0.04 6.97 7.27 1xv9B1 GLN 215 HE22 0.75 -0.04 -0.01 -0.04 7.69 8.35 1xv9B1 ASN 216 H -0.46 0.11 0.07 -0.55 8.53 7.70 1xv9B1 ASN 216 HA -0.01 0.21 0.87 -0.75 4.76 5.07 1xv9B1 ASN 216 HB2 -0.16 -0.09 -0.14 -0.04 2.88 2.45 1xv9B1 ASN 216 HB3 -0.04 0.07 -0.19 -0.04 2.79 2.59 1xv9B1 ASN 216 HD21 -0.05 -0.08 -0.15 -0.04 7.03 6.72 1xv9B1 ASN 216 HD22 -0.02 0.32 -0.24 -0.04 7.74 7.76 1xv9B1 PHE 217 H 0.32 0.55 0.20 -0.55 8.34 8.87 1xv9B1 PHE 217 HA 0.02 0.13 0.52 -0.75 4.62 4.54 1xv9B1 PHE 217 HB2 0.31 -0.11 0.13 -0.04 3.15 3.44 1xv9B1 PHE 217 HB3 0.21 0.04 -0.14 -0.04 3.06 3.13 1xv9B1 PHE 217 HD2 0.16 0.06 -0.13 -0.04 7.28 7.33 1xv9B1 PHE 217 HE2 -0.30 0.00 -0.23 -0.04 7.38 6.82 1xv9B1 PHE 217 HZ -1.06 0.02 -0.12 -0.04 7.32 6.12 1xv9B1 LEU 218 H 0.04 0.52 -0.02 -0.55 8.37 8.37 1xv9B1 LEU 218 HA 0.02 0.31 0.85 -0.75 4.35 4.78 1xv9B1 LEU 218 HB2 -0.04 0.02 0.25 -0.04 1.64 1.83 1xv9B1 LEU 218 HB3 -0.05 0.11 0.05 -0.04 1.64 1.71 1xv9B1 LEU 218 HG -0.11 0.09 -0.03 -0.04 1.64 1.56 1xv9B1 LEU 218 HD13 -0.11 -0.02 0.00 -0.04 0.93 0.76 1xv9B1 LEU 218 HD23 -0.14 -0.01 -0.42 -0.04 0.89 0.28 1xv9B1 CYS 219 H 0.16 0.28 -0.24 -0.55 8.50 8.15 1xv9B1 CYS 219 HA 0.07 0.09 0.69 -0.75 4.58 4.69 1xv9B1 CYS 219 HB2 0.35 -0.06 0.12 -0.04 2.97 3.34 1xv9B1 CYS 219 HB3 -0.20 0.12 0.14 -0.04 2.97 2.99 1xv9B1 GLY 220 H 0.02 0.31 -0.16 -0.55 8.43 8.06 1xv9B1 GLY 220 HA2 0.04 -0.01 0.28 -0.51 4.01 3.82 1xv9B1 GLY 220 HA3 0.07 0.08 0.59 -0.51 4.01 4.24 1xv9B1 PRO 221 HA 0.13 0.10 0.57 -0.51 4.44 4.74 1xv9B1 PRO 221 HB2 0.29 0.01 0.01 -0.04 2.28 2.55 1xv9B1 PRO 221 HB3 0.15 -0.02 0.08 -0.04 2.02 2.20 1xv9B1 PRO 221 HG2 0.15 0.01 0.08 -0.04 2.03 2.23 1xv9B1 PRO 221 HG3 0.22 0.01 0.08 -0.04 2.03 2.29 1xv9B1 PRO 221 HD2 0.11 0.26 0.42 -0.04 3.68 4.44 1xv9B1 PRO 221 HD3 0.10 0.07 0.18 -0.04 3.65 3.97 1xv9B1 LEU 222 H 0.02 0.23 -0.11 -0.55 8.37 7.97 1xv9B1 LEU 222 HA -0.23 0.23 0.33 -0.75 4.35 3.93 1xv9B1 LEU 222 HB2 -0.17 -0.04 -0.08 -0.04 1.64 1.31 1xv9B1 LEU 222 HB3 -0.59 -0.07 -0.04 -0.04 1.64 0.90 1xv9B1 LEU 222 HG -0.01 0.05 0.03 -0.04 1.64 1.68 1xv9B1 LEU 222 HD13 0.19 -0.01 -0.18 -0.04 0.93 0.89 1xv9B1 LEU 222 HD23 -0.79 -0.00 -0.18 -0.04 0.89 -0.13 1xv9B1 ARG 223 H -0.28 0.25 0.02 -0.55 8.46 7.91 1xv9B1 ARG 223 HA -0.04 0.36 0.71 -0.75 4.34 4.61 1xv9B1 ARG 223 HB2 -0.32 0.07 -0.12 -0.04 1.90 1.49 1xv9B1 ARG 223 HB3 -0.04 0.09 0.03 -0.04 1.80 1.85 1xv9B1 ARG 223 HG2 -0.06 -0.07 -0.26 -0.04 1.67 1.23 1xv9B1 ARG 223 HG3 -0.11 -0.05 -0.25 -0.04 1.67 1.22 1xv9B1 ARG 223 HD2 -0.57 0.02 -0.06 -0.04 3.22 2.57 1xv9B1 ARG 223 HD3 -0.14 -0.00 -0.10 -0.04 3.22 2.94 1xv9B1 TYR 224 H 0.28 0.47 0.22 -0.55 8.29 8.72 1xv9B1 TYR 224 HA 0.10 0.09 0.76 -0.75 4.56 4.76 1xv9B1 TYR 224 HB2 0.26 -0.04 0.10 -0.04 3.06 3.33 1xv9B1 TYR 224 HB3 0.16 -0.01 0.05 -0.04 2.98 3.15 1xv9B1 TYR 224 HD2 0.18 0.02 -0.03 -0.04 7.15 7.28 1xv9B1 TYR 224 HE2 0.32 0.03 -0.07 -0.04 6.85 7.09 1xv9B1 THR 225 H 0.22 0.08 0.22 -0.55 8.28 8.25 1xv9B1 THR 225 HA 0.20 0.35 1.00 -0.75 4.39 5.19 1xv9B1 THR 225 HB 0.02 -0.04 0.16 -0.04 4.32 4.42 1xv9B1 THR 225 HG23 0.03 0.08 -0.19 -0.04 1.22 1.10 1xv9B1 ILE 226 H -0.12 0.31 0.18 -0.55 8.25 8.07 1xv9B1 ILE 226 HA 0.11 0.12 0.51 -0.75 4.18 4.17 1xv9B1 ILE 226 HB -1.28 0.13 0.12 -0.04 1.89 0.81 1xv9B1 ILE 226 HG12 -0.12 -0.02 -0.10 -0.04 1.49 1.21 1xv9B1 ILE 226 HG13 -0.05 -0.07 0.14 -0.04 1.21 1.19 1xv9B1 ILE 226 HG23 -0.23 0.02 0.01 -0.04 0.93 0.69 1xv9B1 ILE 226 HD13 -0.33 0.02 -0.11 -0.04 0.88 0.41 1xv9B1 GLU 227 H 0.03 0.13 -0.17 -0.55 8.60 8.04 1xv9B1 GLU 227 HA 0.05 0.19 0.71 -0.75 4.29 4.49 1xv9B1 GLU 227 HB2 0.05 0.03 -0.06 -0.04 2.09 2.07 1xv9B1 GLU 227 HB3 0.04 0.06 0.08 -0.04 1.99 2.13 1xv9B1 GLU 227 HG2 0.01 0.07 -0.01 -0.04 2.34 2.37 1xv9B1 GLU 227 HG3 -0.01 -0.00 -0.08 -0.04 2.34 2.21 1xv9B1 ASP 228 H 0.13 0.16 -0.26 -0.55 8.40 7.88 1xv9B1 ASP 228 HA 0.15 0.10 0.46 -0.75 4.63 4.59 1xv9B1 ASP 228 HB2 0.22 0.18 0.22 -0.04 2.71 3.29 1xv9B1 ASP 228 HB3 0.23 0.05 -0.03 -0.04 2.70 2.91 1xv9B1 GLY 229 H 0.17 0.28 -0.13 -0.55 8.43 8.21 1xv9B1 GLY 229 HA2 0.13 0.05 0.33 -0.51 4.01 4.02 1xv9B1 GLY 229 HA3 0.19 0.10 0.21 -0.51 4.01 4.00 1xv9B1 ALA 230 H 0.13 0.14 -0.51 -0.55 8.40 7.61 1xv9B1 ALA 230 HA 0.16 0.19 0.29 -0.75 4.34 4.23 1xv9B1 ALA 230 HB3 0.08 0.03 0.08 -0.04 1.41 1.56 1xv9B1 ARG 231 H 0.08 0.47 -0.31 -0.55 8.46 8.15 1xv9B1 ARG 231 HA 0.03 0.05 0.45 -0.75 4.34 4.11 1xv9B1 ARG 231 HB2 0.07 0.10 0.24 -0.04 1.90 2.27 1xv9B1 ARG 231 HB3 0.03 -0.07 0.00 -0.04 1.80 1.73 1xv9B1 ARG 231 HG2 0.05 0.13 0.08 -0.04 1.67 1.88 1xv9B1 ARG 231 HG3 0.03 -0.10 0.02 -0.04 1.67 1.58 1xv9B1 ARG 231 HD2 0.02 -0.01 0.05 -0.04 3.22 3.24 1xv9B1 ARG 231 HD3 0.02 -0.01 -0.01 -0.04 3.22 3.18 1xv9B1 VAL 232 H 0.05 0.48 -0.17 -0.55 8.24 8.06 1xv9B1 VAL 232 HA -0.01 -0.03 0.35 -0.75 4.13 3.68 1xv9B1 VAL 232 HB -0.10 0.07 0.06 -0.04 2.12 2.11 1xv9B1 VAL 232 HG13 -0.14 -0.04 0.09 -0.04 0.97 0.84 1xv9B1 VAL 232 HG23 0.02 0.11 -0.01 -0.04 0.95 1.03 1xv9B1 GLY 233 H 0.01 0.30 -1.16 -0.55 8.43 7.04 1xv9B1 GLY 233 HA2 -0.02 0.03 0.24 -0.51 4.01 3.76 1xv9B1 GLY 233 HA3 -0.13 0.10 0.71 -0.51 4.01 4.18 1xv9B1 PHE 234 H -0.03 0.24 -0.22 -0.55 8.34 7.78 1xv9B1 PHE 234 HA 0.09 -0.04 0.32 -0.75 4.62 4.25 1xv9B1 PHE 234 HB2 0.17 0.01 -0.09 -0.04 3.15 3.19 1xv9B1 PHE 234 HB3 0.40 -0.02 -0.11 -0.04 3.06 3.29 1xv9B1 PHE 234 HD2 -0.08 0.01 -0.03 -0.04 7.28 7.14 1xv9B1 PHE 234 HE2 -0.41 -0.02 -0.07 -0.04 7.38 6.84 1xv9B1 PHE 234 HZ 0.53 -0.00 -0.08 -0.04 7.32 7.73 1xv9B1 GLN 235 H 0.23 0.08 0.19 -0.55 8.47 8.43 1xv9B1 GLN 235 HA 0.16 0.10 0.36 -0.75 4.36 4.23 1xv9B1 GLN 235 HB2 0.14 -0.10 0.06 -0.04 2.15 2.22 1xv9B1 GLN 235 HB3 0.10 -0.09 0.11 -0.04 2.02 2.11 1xv9B1 GLN 235 HG2 0.18 0.12 0.14 -0.04 2.40 2.80 1xv9B1 GLN 235 HG3 -0.08 0.03 0.12 -0.04 2.39 2.42 1xv9B1 GLN 235 HE21 -0.11 0.01 0.03 -0.04 6.97 6.86 1xv9B1 GLN 235 HE22 -0.25 0.03 0.03 -0.04 7.69 7.45 1xv9B1 VAL 236 H 0.12 0.14 0.18 -0.55 8.24 8.13 1xv9B1 VAL 236 HA 0.13 0.19 0.42 -0.75 4.13 4.12 1xv9B1 VAL 236 HB 0.07 0.09 0.14 -0.04 2.12 2.38 1xv9B1 VAL 236 HG13 0.07 -0.05 0.14 -0.04 0.97 1.09 1xv9B1 VAL 236 HG23 0.06 0.01 -0.15 -0.04 0.95 0.83 1xv9B1 GLU 237 H 0.10 0.14 0.00 -0.55 8.60 8.29 1xv9B1 GLU 237 HA 0.08 0.06 0.36 -0.75 4.29 4.03 1xv9B1 GLU 237 HB2 0.09 -0.01 0.06 -0.04 2.09 2.19 1xv9B1 GLU 237 HB3 0.07 0.05 -0.04 -0.04 1.99 2.03 1xv9B1 GLU 237 HG2 0.05 0.03 0.05 -0.04 2.34 2.43 1xv9B1 GLU 237 HG3 0.06 -0.04 0.09 -0.04 2.34 2.40 1xv9B1 PHE 238 H 0.26 0.12 -0.39 -0.55 8.34 7.78 1xv9B1 PHE 238 HA 0.04 0.03 0.34 -0.75 4.62 4.28 1xv9B1 PHE 238 HB2 0.09 -0.01 0.01 -0.04 3.15 3.20 1xv9B1 PHE 238 HB3 0.12 0.21 -0.06 -0.04 3.06 3.29 1xv9B1 PHE 238 HD2 0.01 0.01 -0.14 -0.04 7.28 7.12 1xv9B1 PHE 238 HE2 -0.37 0.02 -0.10 -0.04 7.38 6.89 1xv9B1 PHE 238 HZ -0.01 0.02 -0.06 -0.04 7.32 7.23 1xv9B1 LEU 239 H 0.19 0.45 -0.26 -0.55 8.37 8.20 1xv9B1 LEU 239 HA -0.12 0.01 0.41 -0.75 4.35 3.89 1xv9B1 LEU 239 HB2 0.13 0.18 0.13 -0.04 1.64 2.03 1xv9B1 LEU 239 HB3 0.16 -0.06 -0.00 -0.04 1.64 1.70 1xv9B1 LEU 239 HG 0.32 0.03 -0.12 -0.04 1.64 1.83 1xv9B1 LEU 239 HD13 0.20 0.03 -0.17 -0.04 0.93 0.95 1xv9B1 LEU 239 HD23 0.13 -0.03 -0.08 -0.04 0.89 0.87 1xv9B1 GLU 240 H 0.08 0.46 -0.11 -0.55 8.60 8.48 1xv9B1 GLU 240 HA 0.09 0.04 0.44 -0.75 4.29 4.11 1xv9B1 GLU 240 HB2 0.06 -0.00 0.18 -0.04 2.09 2.29 1xv9B1 GLU 240 HB3 0.06 -0.01 -0.03 -0.04 1.99 1.97 1xv9B1 GLU 240 HG2 0.03 0.01 0.01 -0.04 2.34 2.35 1xv9B1 GLU 240 HG3 0.04 0.03 -0.07 -0.04 2.34 2.30 1xv9B1 LEU 241 H 0.04 0.88 0.05 -0.55 8.37 8.79 1xv9B1 LEU 241 HA 0.08 -0.00 0.40 -0.75 4.35 4.07 1xv9B1 LEU 241 HB2 0.04 -0.01 0.09 -0.04 1.64 1.72 1xv9B1 LEU 241 HB3 -0.05 0.08 0.19 -0.04 1.64 1.82 1xv9B1 LEU 241 HG -0.05 -0.01 -0.22 -0.04 1.64 1.31 1xv9B1 LEU 241 HD13 0.02 -0.01 -0.00 -0.04 0.93 0.89 1xv9B1 LEU 241 HD23 0.02 -0.00 -0.06 -0.04 0.89 0.80 1xv9B1 LEU 242 H -0.23 0.75 -0.01 -0.55 8.37 8.34 1xv9B1 LEU 242 HA -0.21 -0.04 0.34 -0.75 4.35 3.69 1xv9B1 LEU 242 HB2 -0.67 -0.07 0.07 -0.04 1.64 0.93 1xv9B1 LEU 242 HB3 -0.61 0.38 0.23 -0.04 1.64 1.60 1xv9B1 LEU 242 HG -0.19 0.08 -0.34 -0.04 1.64 1.15 1xv9B1 LEU 242 HD13 -0.16 -0.03 -0.08 -0.04 0.93 0.63 1xv9B1 LEU 242 HD23 -0.40 -0.03 -0.10 -0.04 0.89 0.32 1xv9B1 PHE 243 H 0.20 0.46 -0.53 -0.55 8.34 7.91 1xv9B1 PHE 243 HA 0.11 0.02 0.54 -0.75 4.62 4.53 1xv9B1 PHE 243 HB2 0.06 0.30 0.20 -0.04 3.15 3.66 1xv9B1 PHE 243 HB3 0.10 -0.04 -0.03 -0.04 3.06 3.05 1xv9B1 PHE 243 HD2 0.17 0.08 0.02 -0.04 7.28 7.50 1xv9B1 PHE 243 HE2 0.11 0.08 -0.10 -0.04 7.38 7.42 1xv9B1 PHE 243 HZ 0.30 -0.05 -0.20 -0.04 7.32 7.32 1xv9B1 HIS 244 H 0.25 0.54 -0.03 -0.55 8.41 8.62 1xv9B1 HIS 244 HA 0.07 0.01 0.48 -0.75 4.63 4.44 1xv9B1 HIS 244 HB2 0.06 0.05 0.16 -0.04 3.26 3.49 1xv9B1 HIS 244 HB3 0.05 0.11 0.21 -0.04 3.20 3.53 1xv9B1 HIS 244 HD2 0.02 -0.01 -0.01 -0.04 6.97 6.93 1xv9B1 HIS 244 HE1 -0.01 -0.00 -0.03 -0.04 7.75 7.66 1xv9B1 PHE 245 H 0.17 0.51 -0.12 -0.55 8.34 8.35 1xv9B1 PHE 245 HA -0.22 -0.03 0.28 -0.75 4.62 3.90 1xv9B1 PHE 245 HB2 -0.18 -0.02 0.03 -0.04 3.15 2.94 1xv9B1 PHE 245 HB3 -0.11 0.28 0.07 -0.04 3.06 3.25 1xv9B1 PHE 245 HD2 -0.40 0.01 -0.10 -0.04 7.28 6.76 1xv9B1 PHE 245 HE2 -0.32 0.02 -0.13 -0.04 7.38 6.91 1xv9B1 PHE 245 HZ -0.18 0.02 -0.12 -0.04 7.32 7.00 1xv9B1 HIS 246 H 0.12 0.32 -0.34 -0.55 8.41 7.97 1xv9B1 HIS 246 HA -0.57 -0.00 0.39 -0.75 4.63 3.69 1xv9B1 HIS 246 HB2 -0.82 0.12 0.06 -0.04 3.26 2.58 1xv9B1 HIS 246 HB3 -1.61 -0.01 -0.06 -0.04 3.20 1.48 1xv9B1 HIS 246 HD2 0.09 0.32 0.08 -0.04 6.97 7.41 1xv9B1 HIS 246 HE1 0.31 0.04 0.00 -0.04 7.75 8.05 1xv9B1 GLY 247 H -0.13 0.49 -0.17 -0.55 8.43 8.07 1xv9B1 GLY 247 HA2 -0.02 0.00 0.40 -0.51 4.01 3.88 1xv9B1 GLY 247 HA3 0.05 0.03 0.36 -0.51 4.01 3.94 1xv9B1 THR 248 H 0.00 0.56 -0.06 -0.55 8.28 8.23 1xv9B1 THR 248 HA -0.04 -0.04 0.29 -0.75 4.39 3.84 1xv9B1 THR 248 HB -0.27 0.21 0.13 -0.04 4.32 4.35 1xv9B1 THR 248 HG23 -0.17 -0.03 -0.17 -0.04 1.22 0.81 1xv9B1 LEU 249 H -0.48 0.70 -0.04 -0.55 8.37 8.00 1xv9B1 LEU 249 HA -0.26 -0.04 0.39 -0.75 4.35 3.69 1xv9B1 LEU 249 HB2 -0.78 -0.07 0.03 -0.04 1.64 0.79 1xv9B1 LEU 249 HB3 -0.75 0.07 0.11 -0.04 1.64 1.02 1xv9B1 LEU 249 HG -0.13 0.07 -0.39 -0.04 1.64 1.15 1xv9B1 LEU 249 HD13 0.00 -0.03 -0.03 -0.04 0.93 0.83 1xv9B1 LEU 249 HD23 -0.33 -0.00 -0.08 -0.04 0.89 0.44 1xv9B1 ARG 250 H -0.23 0.81 -0.03 -0.55 8.46 8.46 1xv9B1 ARG 250 HA 0.03 -0.00 0.45 -0.75 4.34 4.06 1xv9B1 ARG 250 HB2 -0.13 0.18 0.16 -0.04 1.90 2.08 1xv9B1 ARG 250 HB3 0.05 -0.03 0.01 -0.04 1.80 1.79 1xv9B1 ARG 250 HG2 0.11 0.15 0.09 -0.04 1.67 1.97 1xv9B1 ARG 250 HG3 0.26 -0.01 -0.04 -0.04 1.67 1.84 1xv9B1 ARG 250 HD2 0.07 -0.08 -0.06 -0.04 3.22 3.11 1xv9B1 ARG 250 HD3 0.07 -0.10 0.12 -0.04 3.22 3.27 1xv9B1 LYS 251 H -0.06 0.57 -0.19 -0.55 8.42 8.17 1xv9B1 LYS 251 HA -0.01 -0.02 0.36 -0.75 4.32 3.90 1xv9B1 LYS 251 HB2 -0.04 0.19 0.08 -0.04 1.87 2.06 1xv9B1 LYS 251 HB3 -0.01 -0.09 0.00 -0.04 1.79 1.64 1xv9B1 LYS 251 HG2 0.01 -0.10 0.01 -0.04 1.46 1.35 1xv9B1 LYS 251 HG3 -0.00 0.42 0.06 -0.04 1.46 1.90 1xv9B1 LYS 251 HD2 0.01 -0.03 -0.19 -0.04 1.69 1.43 1xv9B1 LYS 251 HD3 0.01 -0.06 -0.06 -0.04 1.68 1.53 1xv9B1 LYS 251 HE2 0.03 -0.01 -0.05 -0.04 2.99 2.92 1xv9B1 LYS 251 HE3 0.04 -0.04 -0.15 -0.04 2.99 2.81 1xv9B1 LEU 252 H -0.08 0.35 -0.37 -0.55 8.37 7.73 1xv9B1 LEU 252 HA -0.05 -0.04 0.41 -0.75 4.35 3.91 1xv9B1 LEU 252 HB2 -0.11 0.17 -0.02 -0.04 1.64 1.63 1xv9B1 LEU 252 HB3 -0.08 -0.11 -0.03 -0.04 1.64 1.38 1xv9B1 LEU 252 HG -0.09 0.28 0.06 -0.04 1.64 1.85 1xv9B1 LEU 252 HD13 -0.08 -0.04 -0.06 -0.04 0.93 0.71 1xv9B1 LEU 252 HD23 -0.04 -0.04 -0.04 -0.04 0.89 0.72 1xv9B1 GLN 253 H -0.07 0.41 -0.44 -0.55 8.47 7.82 1xv9B1 GLN 253 HA -0.07 0.03 0.31 -0.75 4.36 3.88 1xv9B1 GLN 253 HB2 -0.05 0.14 0.19 -0.04 2.15 2.39 1xv9B1 GLN 253 HB3 -0.04 -0.11 0.04 -0.04 2.02 1.86 1xv9B1 GLN 253 HG2 -0.02 -0.07 -0.04 -0.04 2.40 2.23 1xv9B1 GLN 253 HG3 -0.03 0.25 -0.37 -0.04 2.39 2.20 1xv9B1 GLN 253 HE21 -0.02 0.02 -0.03 -0.04 6.97 6.90 1xv9B1 GLN 253 HE22 -0.02 0.38 0.03 -0.04 7.69 8.04 1xv9B1 LEU 254 H -0.33 0.20 -0.01 -0.55 8.37 7.68 1xv9B1 LEU 254 HA -0.22 0.19 0.98 -0.75 4.35 4.54 1xv9B1 LEU 254 HB2 -1.30 0.01 -0.02 -0.04 1.64 0.29 1xv9B1 LEU 254 HB3 -0.44 -0.04 -0.18 -0.04 1.64 0.95 1xv9B1 LEU 254 HG -0.35 0.09 -0.15 -0.04 1.64 1.18 1xv9B1 LEU 254 HD13 -0.18 -0.01 -0.12 -0.04 0.93 0.57 1xv9B1 LEU 254 HD23 -0.14 -0.01 -0.64 -0.04 0.89 0.05 1xv9B1 GLN 255 H -0.12 0.19 0.07 -0.55 8.47 8.07 1xv9B1 GLN 255 HA -0.05 0.07 0.33 -0.75 4.36 3.95 1xv9B1 GLN 255 HB2 -0.04 -0.12 0.04 -0.04 2.15 1.99 1xv9B1 GLN 255 HB3 0.01 0.00 0.13 -0.04 2.02 2.12 1xv9B1 GLN 255 HG2 0.00 0.04 0.08 -0.04 2.40 2.48 1xv9B1 GLN 255 HG3 -0.00 0.06 0.14 -0.04 2.39 2.55 1xv9B1 GLN 255 HE21 0.22 0.05 0.07 -0.04 6.97 7.27 1xv9B1 GLN 255 HE22 0.19 -0.09 0.05 -0.04 7.69 7.80 1xv9B1 GLU 256 H -0.00 0.13 0.18 -0.55 8.60 8.36 1xv9B1 GLU 256 HA 0.11 0.14 0.40 -0.75 4.29 4.19 1xv9B1 GLU 256 HB2 0.04 0.06 0.17 -0.04 2.09 2.31 1xv9B1 GLU 256 HB3 0.00 0.00 0.17 -0.04 1.99 2.12 1xv9B1 GLU 256 HG2 -0.09 -0.07 -0.26 -0.04 2.34 1.88 1xv9B1 GLU 256 HG3 -0.03 0.03 0.02 -0.04 2.34 2.32 1xv9B1 PRO 257 HA -0.13 0.01 0.45 -0.51 4.44 4.26 1xv9B1 PRO 257 HB2 -0.49 0.06 -0.03 -0.04 2.28 1.78 1xv9B1 PRO 257 HB3 -0.10 0.05 0.09 -0.04 2.02 2.02 1xv9B1 PRO 257 HG2 -0.29 -0.00 -0.03 -0.04 2.03 1.66 1xv9B1 PRO 257 HG3 0.03 0.10 0.04 -0.04 2.03 2.16 1xv9B1 PRO 257 HD2 -0.03 -0.01 0.01 -0.04 3.68 3.61 1xv9B1 PRO 257 HD3 -0.02 0.15 0.11 -0.04 3.65 3.85 1xv9B1 GLU 258 H -0.30 0.14 -0.45 -0.55 8.60 7.44 1xv9B1 GLU 258 HA -0.28 -0.03 0.30 -0.75 4.29 3.53 1xv9B1 GLU 258 HB2 -0.26 0.23 -0.20 -0.04 2.09 1.82 1xv9B1 GLU 258 HB3 -0.19 -0.01 -0.03 -0.04 1.99 1.72 1xv9B1 GLU 258 HG2 -0.25 -0.01 -0.05 -0.04 2.34 1.98 1xv9B1 GLU 258 HG3 -0.22 -0.08 -0.01 -0.04 2.34 1.99 1xv9B1 TYR 259 H -0.07 0.51 -0.51 -0.55 8.29 7.67 1xv9B1 TYR 259 HA -0.08 0.06 0.57 -0.75 4.56 4.36 1xv9B1 TYR 259 HB2 -0.12 0.16 0.20 -0.04 3.06 3.26 1xv9B1 TYR 259 HB3 -0.11 -0.09 -0.07 -0.04 2.98 2.67 1xv9B1 TYR 259 HD2 -0.07 -0.09 -0.01 -0.04 7.15 6.94 1xv9B1 TYR 259 HE2 -0.07 -0.03 -0.04 -0.04 6.85 6.67 1xv9B1 VAL 260 H -0.06 0.45 0.09 -0.55 8.24 8.16 1xv9B1 VAL 260 HA -0.11 0.04 0.31 -0.75 4.13 3.61 1xv9B1 VAL 260 HB -0.07 0.01 0.08 -0.04 2.12 2.10 1xv9B1 VAL 260 HG13 0.01 -0.03 -0.16 -0.04 0.97 0.75 1xv9B1 VAL 260 HG23 -0.35 0.05 -0.05 -0.04 0.95 0.56 1xv9B1 LEU 261 H -0.04 0.53 -0.13 -0.55 8.37 8.17 1xv9B1 LEU 261 HA 0.05 -0.01 0.32 -0.75 4.35 3.95 1xv9B1 LEU 261 HB2 -0.03 0.10 0.01 -0.04 1.64 1.69 1xv9B1 LEU 261 HB3 0.04 -0.03 -0.12 -0.04 1.64 1.50 1xv9B1 LEU 261 HG -0.07 0.11 0.00 -0.04 1.64 1.64 1xv9B1 LEU 261 HD13 -0.01 -0.00 -0.11 -0.04 0.93 0.77 1xv9B1 LEU 261 HD23 0.04 -0.02 -0.07 -0.04 0.89 0.81 1xv9B1 LEU 262 H 0.02 0.33 -0.34 -0.55 8.37 7.83 1xv9B1 LEU 262 HA 0.03 -0.04 0.28 -0.75 4.35 3.87 1xv9B1 LEU 262 HB2 0.02 0.09 0.11 -0.04 1.64 1.82 1xv9B1 LEU 262 HB3 0.07 0.22 0.08 -0.04 1.64 1.96 1xv9B1 LEU 262 HG 0.04 -0.02 -0.18 -0.04 1.64 1.43 1xv9B1 LEU 262 HD13 -0.01 -0.02 -0.03 -0.04 0.93 0.82 1xv9B1 LEU 262 HD23 0.05 0.01 -0.04 -0.04 0.89 0.87 1xv9B1 ALA 263 H 0.03 0.44 -0.33 -0.55 8.40 8.00 1xv9B1 ALA 263 HA 0.01 -0.02 0.34 -0.75 4.34 3.91 1xv9B1 ALA 263 HB3 -0.01 0.06 0.09 -0.04 1.41 1.52 1xv9B1 ALA 264 H 0.08 0.52 -0.04 -0.55 8.40 8.41 1xv9B1 ALA 264 HA 0.02 -0.05 0.34 -0.75 4.34 3.89 1xv9B1 ALA 264 HB3 0.17 0.03 0.09 -0.04 1.41 1.65 1xv9B1 MET 265 H 0.08 0.54 -0.25 -0.55 8.47 8.28 1xv9B1 MET 265 HA 0.13 -0.02 0.31 -0.75 4.52 4.19 1xv9B1 MET 265 HB2 0.05 0.13 0.07 -0.04 2.15 2.36 1xv9B1 MET 265 HB3 0.05 -0.03 -0.11 -0.04 2.03 1.89 1xv9B1 MET 265 HG2 0.11 -0.04 -0.05 -0.04 2.63 2.61 1xv9B1 MET 265 HG3 0.10 0.02 -0.17 -0.04 2.56 2.48 1xv9B1 MET 265 HE3 0.06 0.00 -0.04 -0.04 2.10 2.08 1xv9B1 ALA 266 H 0.02 0.55 -0.15 -0.55 8.40 8.28 1xv9B1 ALA 266 HA 0.01 -0.02 0.37 -0.75 4.34 3.94 1xv9B1 ALA 266 HB3 -0.00 -0.01 0.05 -0.04 1.41 1.41 1xv9B1 LEU 267 H -0.05 0.46 -0.16 -0.55 8.37 8.08 1xv9B1 LEU 267 HA -0.11 -0.03 0.33 -0.75 4.35 3.78 1xv9B1 LEU 267 HB2 -0.21 -0.03 0.04 -0.04 1.64 1.40 1xv9B1 LEU 267 HB3 -0.40 0.14 0.21 -0.04 1.64 1.55 1xv9B1 LEU 267 HG -0.76 -0.03 -0.25 -0.04 1.64 0.56 1xv9B1 LEU 267 HD13 -0.35 0.01 -0.06 -0.04 0.93 0.49 1xv9B1 LEU 267 HD23 -0.86 -0.02 -0.05 -0.04 0.89 -0.09 1xv9B1 PHE 268 H -0.09 0.54 0.01 -0.55 8.34 8.25 1xv9B1 PHE 268 HA 0.09 -0.01 0.40 -0.75 4.62 4.34 1xv9B1 PHE 268 HB2 0.06 0.08 0.06 -0.04 3.15 3.31 1xv9B1 PHE 268 HB3 0.06 -0.09 0.01 -0.04 3.06 2.99 1xv9B1 PHE 268 HD2 0.09 0.03 -0.08 -0.04 7.28 7.28 1xv9B1 PHE 268 HE2 0.17 -0.01 -0.09 -0.04 7.38 7.40 1xv9B1 PHE 268 HZ 0.19 -0.10 -0.14 -0.04 7.32 7.23 1xv9B1 SER 269 H 0.12 0.64 0.27 -0.55 8.46 8.93 1xv9B1 SER 269 HA 0.09 0.13 0.84 -0.75 4.49 4.79 1xv9B1 SER 269 HB2 0.05 0.08 0.16 -0.04 3.95 4.21 1xv9B1 SER 269 HB3 0.05 -0.20 0.03 -0.04 3.93 3.77 1xv9B1 PRO 270 HA 0.06 0.04 0.44 -0.51 4.44 4.47 1xv9B1 PRO 270 HB2 0.03 0.04 -0.01 -0.04 2.28 2.30 1xv9B1 PRO 270 HB3 0.04 -0.10 -0.14 -0.04 2.02 1.78 1xv9B1 PRO 270 HG2 0.04 -0.01 0.08 -0.04 2.03 2.10 1xv9B1 PRO 270 HG3 0.04 0.03 0.06 -0.04 2.03 2.12 1xv9B1 PRO 270 HD2 0.07 0.16 0.24 -0.04 3.68 4.11 1xv9B1 PRO 270 HD3 0.08 0.25 -0.11 -0.04 3.65 3.83 1xv9B1 ASP 271 H 0.04 0.11 -0.16 -0.55 8.40 7.84 1xv9B1 ASP 271 HA 0.02 0.06 0.34 -0.75 4.63 4.30 1xv9B1 ASP 271 HB2 0.02 0.02 0.04 -0.04 2.71 2.75 1xv9B1 ASP 271 HB3 0.02 -0.04 0.06 -0.04 2.70 2.69 1xv9B1 ARG 272 H 0.04 0.15 -0.62 -0.55 8.46 7.48 1xv9B1 ARG 272 HA 0.02 0.04 0.34 -0.75 4.34 3.99 1xv9B1 ARG 272 HB2 0.04 -0.12 -0.07 -0.04 1.90 1.70 1xv9B1 ARG 272 HB3 0.03 0.15 0.06 -0.04 1.80 2.00 1xv9B1 ARG 272 HG2 0.05 0.22 0.10 -0.04 1.67 2.00 1xv9B1 ARG 272 HG3 0.05 -0.00 0.12 -0.04 1.67 1.79 1xv9B1 ARG 272 HD2 0.02 0.01 0.07 -0.04 3.22 3.29 1xv9B1 ARG 272 HD3 0.03 -0.13 -0.02 -0.04 3.22 3.05 1xv9B1 PRO 273 HA 0.01 0.05 0.63 -0.51 4.44 4.62 1xv9B1 PRO 273 HB2 0.01 0.00 0.04 -0.04 2.28 2.30 1xv9B1 PRO 273 HB3 0.01 0.01 0.13 -0.04 2.02 2.14 1xv9B1 PRO 273 HG2 0.02 0.04 0.12 -0.04 2.03 2.17 1xv9B1 PRO 273 HG3 0.01 0.04 0.09 -0.04 2.03 2.13 1xv9B1 PRO 273 HD2 0.02 0.10 0.24 -0.04 3.68 3.99 1xv9B1 PRO 273 HD3 0.02 0.13 0.18 -0.04 3.65 3.94 1xv9B1 GLY 274 H 0.01 0.14 0.16 -0.55 8.43 8.20 1xv9B1 GLY 274 HA2 0.01 -0.04 0.34 -0.51 4.01 3.81 1xv9B1 GLY 274 HA3 0.01 0.18 0.71 -0.51 4.01 4.41 1xv9B1 VAL 275 H 0.02 0.38 -0.36 -0.55 8.24 7.73 1xv9B1 VAL 275 HA 0.02 -0.05 0.37 -0.75 4.13 3.71 1xv9B1 VAL 275 HB 0.03 -0.24 -0.06 -0.04 2.12 1.80 1xv9B1 VAL 275 HG13 0.04 0.04 -0.07 -0.04 0.97 0.94 1xv9B1 VAL 275 HG23 0.02 0.22 0.08 -0.04 0.95 1.23 1xv9B1 THR 276 H 0.00 -0.01 0.16 -0.55 8.28 7.89 1xv9B1 THR 276 HA 0.00 0.28 0.96 -0.75 4.39 4.88 1xv9B1 THR 276 HB -0.01 -0.01 0.06 -0.04 4.32 4.32 1xv9B1 THR 276 HG23 -0.00 0.08 -0.09 -0.04 1.22 1.17 1xv9B1 GLN 277 H -0.00 0.10 0.05 -0.55 8.47 8.07 1xv9B1 GLN 277 HA -0.01 0.24 0.85 -0.75 4.36 4.70 1xv9B1 GLN 277 HB2 -0.01 -0.05 0.28 -0.04 2.15 2.33 1xv9B1 GLN 277 HB3 -0.02 0.02 0.21 -0.04 2.02 2.20 1xv9B1 GLN 277 HG2 -0.02 -0.07 0.11 -0.04 2.40 2.37 1xv9B1 GLN 277 HG3 -0.03 0.10 0.11 -0.04 2.39 2.53 1xv9B1 GLN 277 HE21 -0.01 0.07 -0.05 -0.04 6.97 6.94 1xv9B1 GLN 277 HE22 -0.02 -0.09 -0.05 -0.04 7.69 7.49 1xv9B1 ARG 278 H 0.01 0.39 -0.53 -0.55 8.46 7.77 1xv9B1 ARG 278 HA 0.02 0.06 0.24 -0.75 4.34 3.90 1xv9B1 ARG 278 HB2 0.01 0.14 -0.05 -0.04 1.90 1.96 1xv9B1 ARG 278 HB3 0.01 0.01 -0.09 -0.04 1.80 1.69 1xv9B1 ARG 278 HG2 0.02 -0.13 0.10 -0.04 1.67 1.62 1xv9B1 ARG 278 HG3 0.02 0.22 -0.03 -0.04 1.67 1.85 1xv9B1 ARG 278 HD2 0.01 0.10 -0.10 -0.04 3.22 3.20 1xv9B1 ARG 278 HD3 0.01 -0.03 -0.10 -0.04 3.22 3.06 1xv9B1 ASP 279 H -0.00 0.05 -0.59 -0.55 8.40 7.30 1xv9B1 ASP 279 HA -0.00 0.13 0.47 -0.75 4.63 4.47 1xv9B1 ASP 279 HB2 -0.01 -0.06 0.08 -0.04 2.71 2.68 1xv9B1 ASP 279 HB3 -0.01 0.05 -0.05 -0.04 2.70 2.65 1xv9B1 GLU 280 H -0.01 0.13 -0.00 -0.55 8.60 8.17 1xv9B1 GLU 280 HA -0.03 0.07 0.41 -0.75 4.29 3.97 1xv9B1 GLU 280 HB2 -0.03 -0.02 0.16 -0.04 2.09 2.16 1xv9B1 GLU 280 HB3 -0.03 0.04 0.16 -0.04 1.99 2.12 1xv9B1 GLU 280 HG2 -0.08 -0.03 -0.14 -0.04 2.34 2.06 1xv9B1 GLU 280 HG3 -0.05 -0.01 0.02 -0.04 2.34 2.27 1xv9B1 ILE 281 H -0.00 0.48 -0.08 -0.55 8.25 8.10 1xv9B1 ILE 281 HA -0.03 0.05 0.32 -0.75 4.18 3.77 1xv9B1 ILE 281 HB 0.05 0.00 -0.04 -0.04 1.89 1.85 1xv9B1 ILE 281 HG12 0.13 0.03 -0.08 -0.04 1.49 1.53 1xv9B1 ILE 281 HG13 0.03 -0.02 -0.02 -0.04 1.21 1.16 1xv9B1 ILE 281 HG23 0.15 0.05 -0.43 -0.04 0.93 0.66 1xv9B1 ILE 281 HD13 0.08 0.01 -0.12 -0.04 0.88 0.81 1xv9B1 ASP 282 H 0.01 0.43 -0.40 -0.55 8.40 7.89 1xv9B1 ASP 282 HA 0.03 0.03 0.47 -0.75 4.63 4.41 1xv9B1 ASP 282 HB2 0.02 0.08 0.19 -0.04 2.71 2.96 1xv9B1 ASP 282 HB3 0.00 0.11 0.24 -0.04 2.70 3.02 1xv9B1 GLN 283 H -0.02 0.45 -0.29 -0.55 8.47 8.07 1xv9B1 GLN 283 HA -0.01 0.06 0.68 -0.75 4.36 4.34 1xv9B1 GLN 283 HB2 -0.03 0.16 0.15 -0.04 2.15 2.38 1xv9B1 GLN 283 HB3 -0.03 -0.06 0.01 -0.04 2.02 1.90 1xv9B1 GLN 283 HG2 -0.01 -0.03 0.02 -0.04 2.40 2.33 1xv9B1 GLN 283 HG3 -0.01 0.08 0.01 -0.04 2.39 2.43 1xv9B1 GLN 283 HE21 -0.01 -0.03 -0.04 -0.04 6.97 6.85 1xv9B1 GLN 283 HE22 -0.01 0.02 -0.04 -0.04 7.69 7.62 1xv9B1 LEU 284 H -0.08 0.44 -0.08 -0.55 8.37 8.11 1xv9B1 LEU 284 HA -0.15 0.01 0.54 -0.75 4.35 3.99 1xv9B1 LEU 284 HB2 -0.26 0.10 0.15 -0.04 1.64 1.59 1xv9B1 LEU 284 HB3 -0.72 -0.02 -0.01 -0.04 1.64 0.85 1xv9B1 LEU 284 HG -0.19 0.15 -0.05 -0.04 1.64 1.51 1xv9B1 LEU 284 HD13 -0.47 -0.02 -0.15 -0.04 0.93 0.26 1xv9B1 LEU 284 HD23 -0.28 -0.02 -0.02 -0.04 0.89 0.53 1xv9B1 GLN 285 H -0.00 0.52 -0.20 -0.55 8.47 8.24 1xv9B1 GLN 285 HA 0.10 0.10 0.48 -0.75 4.36 4.29 1xv9B1 GLN 285 HB2 0.10 0.27 0.19 -0.04 2.15 2.67 1xv9B1 GLN 285 HB3 0.05 0.04 0.22 -0.04 2.02 2.29 1xv9B1 GLN 285 HG2 0.07 -0.11 -0.22 -0.04 2.40 2.09 1xv9B1 GLN 285 HG3 0.08 0.13 0.11 -0.04 2.39 2.67 1xv9B1 GLN 285 HE21 0.04 -0.08 0.06 -0.04 6.97 6.94 1xv9B1 GLN 285 HE22 0.04 0.16 0.10 -0.04 7.69 7.95 1xv9B1 GLU 286 H 0.02 0.42 -0.15 -0.55 8.60 8.35 1xv9B1 GLU 286 HA 0.04 0.01 0.39 -0.75 4.29 3.97 1xv9B1 GLU 286 HB2 0.01 0.24 0.27 -0.04 2.09 2.57 1xv9B1 GLU 286 HB3 0.00 0.06 0.13 -0.04 1.99 2.15 1xv9B1 GLU 286 HG2 0.01 -0.04 -0.04 -0.04 2.34 2.23 1xv9B1 GLU 286 HG3 0.02 -0.02 0.06 -0.04 2.34 2.36 1xv9B1 GLU 287 H -0.01 0.46 -0.51 -0.55 8.60 7.99 1xv9B1 GLU 287 HA 0.00 -0.04 0.37 -0.75 4.29 3.87 1xv9B1 GLU 287 HB2 -0.03 0.21 0.20 -0.04 2.09 2.42 1xv9B1 GLU 287 HB3 -0.04 0.16 0.20 -0.04 1.99 2.27 1xv9B1 GLU 287 HG2 -0.00 -0.05 -0.20 -0.04 2.34 2.05 1xv9B1 GLU 287 HG3 -0.01 -0.07 0.00 -0.04 2.34 2.22 1xv9B1 MET 288 H 0.03 0.73 -0.03 -0.55 8.47 8.66 1xv9B1 MET 288 HA 0.07 -0.06 0.36 -0.75 4.52 4.13 1xv9B1 MET 288 HB2 0.12 0.07 0.13 -0.04 2.15 2.43 1xv9B1 MET 288 HB3 0.12 -0.05 -0.07 -0.04 2.03 1.99 1xv9B1 MET 288 HG2 0.07 0.50 0.13 -0.04 2.63 3.29 1xv9B1 MET 288 HG3 0.28 0.04 -0.14 -0.04 2.56 2.69 1xv9B1 MET 288 HE3 -0.02 -0.04 -0.04 -0.04 2.10 1.95 1xv9B1 ALA 289 H 0.10 0.63 -0.08 -0.55 8.40 8.51 1xv9B1 ALA 289 HA 0.24 -0.04 0.30 -0.75 4.34 4.09 1xv9B1 ALA 289 HB3 0.15 0.04 0.07 -0.04 1.41 1.63 1xv9B1 LEU 290 H 0.04 0.47 -0.34 -0.55 8.37 8.00 1xv9B1 LEU 290 HA -0.06 -0.03 0.44 -0.75 4.35 3.94 1xv9B1 LEU 290 HB2 0.01 0.11 0.15 -0.04 1.64 1.87 1xv9B1 LEU 290 HB3 -0.01 -0.10 0.02 -0.04 1.64 1.50 1xv9B1 LEU 290 HG 0.01 0.56 0.17 -0.04 1.64 2.34 1xv9B1 LEU 290 HD13 -0.00 -0.04 -0.01 -0.04 0.93 0.83 1xv9B1 LEU 290 HD23 -0.02 -0.04 -0.02 -0.04 0.89 0.77 1xv9B1 THR 291 H 0.03 0.65 0.09 -0.55 8.28 8.51 1xv9B1 THR 291 HA 0.03 -0.08 0.42 -0.75 4.39 4.01 1xv9B1 THR 291 HB 0.06 0.12 0.14 -0.04 4.32 4.60 1xv9B1 THR 291 HG23 0.06 -0.05 -0.01 -0.04 1.22 1.18 1xv9B1 LEU 292 H 0.07 0.56 -0.33 -0.55 8.37 8.13 1xv9B1 LEU 292 HA 0.09 0.02 0.56 -0.75 4.35 4.27 1xv9B1 LEU 292 HB2 0.10 -0.01 -0.03 -0.04 1.64 1.66 1xv9B1 LEU 292 HB3 0.21 0.17 0.05 -0.04 1.64 2.02 1xv9B1 LEU 292 HG 0.05 -0.04 0.01 -0.04 1.64 1.62 1xv9B1 LEU 292 HD13 0.07 0.00 -0.12 -0.04 0.93 0.85 1xv9B1 LEU 292 HD23 0.29 -0.01 -0.26 -0.04 0.89 0.86 1xv9B1 GLN 293 H -0.07 0.53 0.06 -0.55 8.47 8.45 1xv9B1 GLN 293 HA -0.18 -0.06 0.39 -0.75 4.36 3.76 1xv9B1 GLN 293 HB2 -0.18 0.13 0.15 -0.04 2.15 2.21 1xv9B1 GLN 293 HB3 -0.28 -0.06 0.08 -0.04 2.02 1.72 1xv9B1 GLN 293 HG2 -1.70 -0.12 0.04 -0.04 2.40 0.58 1xv9B1 GLN 293 HG3 -0.55 0.47 0.16 -0.04 2.39 2.43 1xv9B1 GLN 293 HE21 -0.16 -0.01 -0.03 -0.04 6.97 6.72 1xv9B1 GLN 293 HE22 -0.31 -0.03 -0.00 -0.04 7.69 7.31 1xv9B1 SER 294 H 0.00 0.34 -0.56 -0.55 8.46 7.70 1xv9B1 SER 294 HA -0.02 0.02 0.51 -0.75 4.49 4.24 1xv9B1 SER 294 HB2 0.04 0.11 0.13 -0.04 3.95 4.18 1xv9B1 SER 294 HB3 -0.00 0.16 0.09 -0.04 3.93 4.13 1xv9B1 TYR 295 H 0.16 0.29 -0.02 -0.55 8.29 8.16 1xv9B1 TYR 295 HA -0.01 0.06 0.40 -0.75 4.56 4.25 1xv9B1 TYR 295 HB2 0.00 0.04 0.17 -0.04 3.06 3.23 1xv9B1 TYR 295 HB3 0.01 0.05 0.10 -0.04 2.98 3.09 1xv9B1 TYR 295 HD2 -0.01 0.03 -0.16 -0.04 7.15 6.97 1xv9B1 TYR 295 HE2 -0.01 -0.02 -0.00 -0.04 6.85 6.78 1xv9B1 ILE 296 H 0.13 0.49 -0.17 -0.55 8.25 8.15 1xv9B1 ILE 296 HA 0.12 0.03 0.29 -0.75 4.18 3.87 1xv9B1 ILE 296 HB 0.05 0.10 0.08 -0.04 1.89 2.08 1xv9B1 ILE 296 HG12 0.10 0.02 -0.01 -0.04 1.49 1.56 1xv9B1 ILE 296 HG13 0.14 0.15 -0.03 -0.04 1.21 1.42 1xv9B1 ILE 296 HG23 0.05 -0.04 -0.13 -0.04 0.93 0.77 1xv9B1 ILE 296 HD13 0.21 -0.07 -0.03 -0.04 0.88 0.96 1xv9B1 LYS 297 H -0.00 0.29 -0.30 -0.55 8.42 7.86 1xv9B1 LYS 297 HA -0.03 0.05 0.52 -0.75 4.32 4.11 1xv9B1 LYS 297 HB2 -0.04 0.10 0.16 -0.04 1.87 2.06 1xv9B1 LYS 297 HB3 -0.04 -0.04 0.08 -0.04 1.79 1.75 1xv9B1 LYS 297 HG2 -0.03 0.23 0.17 -0.04 1.46 1.78 1xv9B1 LYS 297 HG3 -0.04 -0.08 0.08 -0.04 1.46 1.38 1xv9B1 LYS 297 HD2 -0.04 -0.02 0.07 -0.04 1.69 1.67 1xv9B1 LYS 297 HD3 -0.03 0.04 0.03 -0.04 1.68 1.68 1xv9B1 LYS 297 HE2 -0.02 -0.01 0.04 -0.04 2.99 2.95 1xv9B1 LYS 297 HE3 -0.02 -0.02 0.05 -0.04 2.99 2.95 1xv9B1 GLY 298 H -0.07 0.38 -0.31 -0.55 8.43 7.88 1xv9B1 GLY 298 HA2 -0.09 -0.02 0.61 -0.51 4.01 4.00 1xv9B1 GLY 298 HA3 -0.17 0.00 0.40 -0.51 4.01 3.74 1xv9B1 GLN 299 H -0.06 0.53 -0.49 -0.55 8.47 7.90 1xv9B1 GLN 299 HA -0.04 0.00 0.71 -0.75 4.36 4.27 1xv9B1 GLN 299 HB2 -0.02 0.03 0.05 -0.04 2.15 2.17 1xv9B1 GLN 299 HB3 -0.01 0.23 0.10 -0.04 2.02 2.30 1xv9B1 GLN 299 HG2 -0.04 0.07 0.15 -0.04 2.40 2.55 1xv9B1 GLN 299 HG3 -0.03 -0.03 0.06 -0.04 2.39 2.34 1xv9B1 GLN 299 HE21 -0.03 0.13 -0.00 -0.04 6.97 7.03 1xv9B1 GLN 299 HE22 -0.01 -0.01 0.07 -0.04 7.69 7.70 1xv9B1 GLN 300 H -0.06 0.17 0.12 -0.55 8.47 8.16 1xv9B1 GLN 300 HA -0.04 0.03 0.35 -0.75 4.36 3.95 1xv9B1 GLN 300 HB2 -0.02 -0.16 0.24 -0.04 2.15 2.17 1xv9B1 GLN 300 HB3 -0.03 -0.02 0.09 -0.04 2.02 2.02 1xv9B1 GLN 300 HG2 -0.05 -0.03 0.06 -0.04 2.40 2.35 1xv9B1 GLN 300 HG3 -0.08 0.10 0.08 -0.04 2.39 2.45 1xv9B1 GLN 300 HE21 -0.03 -0.08 0.10 -0.04 6.97 6.91 1xv9B1 GLN 300 HE22 -0.16 0.27 0.17 -0.04 7.69 7.92 1xv9B1 ARG 301 H -0.02 0.03 0.08 -0.55 8.46 8.00 1xv9B1 ARG 301 HA -0.02 0.08 0.61 -0.75 4.34 4.25 1xv9B1 ARG 301 HB2 -0.01 -0.04 0.16 -0.04 1.90 1.97 1xv9B1 ARG 301 HB3 -0.01 0.04 -0.01 -0.04 1.80 1.78 1xv9B1 ARG 301 HG2 -0.01 -0.04 0.02 -0.04 1.67 1.59 1xv9B1 ARG 301 HG3 -0.01 -0.00 0.03 -0.04 1.67 1.65 1xv9B1 ARG 301 HD2 -0.01 0.05 0.05 -0.04 3.22 3.26 1xv9B1 ARG 301 HD3 -0.01 -0.02 0.00 -0.04 3.22 3.15 1xv9B1 ARG 302 H -0.02 0.11 0.09 -0.55 8.46 8.09 1xv9B1 ARG 302 HA -0.02 0.19 0.76 -0.75 4.34 4.51 1xv9B1 ARG 302 HB2 -0.03 0.12 0.08 -0.04 1.90 2.03 1xv9B1 ARG 302 HB3 -0.02 -0.08 0.21 -0.04 1.80 1.87 1xv9B1 ARG 302 HG2 -0.04 0.17 0.07 -0.04 1.67 1.83 1xv9B1 ARG 302 HG3 -0.04 -0.04 0.07 -0.04 1.67 1.62 1xv9B1 ARG 302 HD2 -0.03 0.03 0.15 -0.04 3.22 3.33 1xv9B1 ARG 302 HD3 -0.03 -0.06 0.04 -0.04 3.22 3.12 1xv9B1 PRO 303 HA -0.02 0.13 0.72 -0.51 4.44 4.77 1xv9B1 PRO 303 HB2 -0.01 0.03 0.06 -0.04 2.28 2.32 1xv9B1 PRO 303 HB3 -0.01 -0.06 0.03 -0.04 2.02 1.94 1xv9B1 PRO 303 HG2 -0.02 0.13 -0.04 -0.04 2.03 2.06 1xv9B1 PRO 303 HG3 -0.01 -0.04 -0.00 -0.04 2.03 1.94 1xv9B1 PRO 303 HD2 -0.02 0.33 -0.03 -0.04 3.68 3.92 1xv9B1 PRO 303 HD3 -0.01 -0.17 -0.48 -0.04 3.65 2.94 1xv9B1 ARG 304 H -0.02 0.08 -0.17 -0.55 8.46 7.80 1xv9B1 ARG 304 HA -0.02 0.18 0.79 -0.75 4.34 4.53 1xv9B1 ARG 304 HB2 -0.03 -0.16 0.23 -0.04 1.90 1.90 1xv9B1 ARG 304 HB3 -0.03 0.17 0.14 -0.04 1.80 2.04 1xv9B1 ARG 304 HG2 -0.02 -0.06 0.06 -0.04 1.67 1.60 1xv9B1 ARG 304 HG3 -0.02 0.01 -0.05 -0.04 1.67 1.57 1xv9B1 ARG 304 HD2 -0.01 -0.10 0.08 -0.04 3.22 3.15 1xv9B1 ARG 304 HD3 -0.03 0.20 0.15 -0.04 3.22 3.51 1xv9B1 ASP 305 H -0.02 0.12 0.11 -0.55 8.40 8.07 1xv9B1 ASP 305 HA -0.02 0.10 0.31 -0.75 4.63 4.26 1xv9B1 ASP 305 HB2 0.01 -0.04 -0.12 -0.04 2.71 2.53 1xv9B1 ASP 305 HB3 0.03 -0.22 0.03 -0.04 2.70 2.50 1xv9B1 ARG 306 H -0.08 0.02 0.15 -0.55 8.46 8.00 1xv9B1 ARG 306 HA -0.14 0.28 0.74 -0.75 4.34 4.47 1xv9B1 ARG 306 HB2 -0.48 0.02 0.06 -0.04 1.90 1.46 1xv9B1 ARG 306 HB3 -0.22 0.10 0.09 -0.04 1.80 1.73 1xv9B1 ARG 306 HG2 -0.18 0.00 0.14 -0.04 1.67 1.60 1xv9B1 ARG 306 HG3 -0.76 -0.12 0.11 -0.04 1.67 0.86 1xv9B1 ARG 306 HD2 -0.21 0.05 0.03 -0.04 3.22 3.05 1xv9B1 ARG 306 HD3 -0.23 -0.01 0.02 -0.04 3.22 2.97 1xv9B1 PHE 307 H -0.03 0.07 0.06 -0.55 8.34 7.88 1xv9B1 PHE 307 HA 0.04 0.17 0.64 -0.75 4.62 4.72 1xv9B1 PHE 307 HB2 0.01 0.04 0.15 -0.04 3.15 3.30 1xv9B1 PHE 307 HB3 0.02 -0.05 0.16 -0.04 3.06 3.15 1xv9B1 PHE 307 HD2 0.02 -0.00 0.02 -0.04 7.28 7.27 1xv9B1 PHE 307 HE2 0.01 0.03 -0.01 -0.04 7.38 7.37 1xv9B1 PHE 307 HZ 0.01 0.03 -0.01 -0.04 7.32 7.30 1xv9B1 LEU 308 H 0.07 0.45 -0.71 -0.55 8.37 7.63 1xv9B1 LEU 308 HA 0.04 0.09 0.33 -0.75 4.35 4.06 1xv9B1 LEU 308 HB2 0.03 0.17 -0.09 -0.04 1.64 1.70 1xv9B1 LEU 308 HB3 0.07 -0.06 0.04 -0.04 1.64 1.65 1xv9B1 LEU 308 HG -0.00 -0.04 -0.14 -0.04 1.64 1.41 1xv9B1 LEU 308 HD13 -0.02 -0.01 0.00 -0.04 0.93 0.86 1xv9B1 LEU 308 HD23 -0.01 0.04 -0.03 -0.04 0.89 0.85 1xv9B1 TYR 309 H 0.21 0.21 -0.06 -0.55 8.29 8.10 1xv9B1 TYR 309 HA 0.02 0.09 0.31 -0.75 4.56 4.22 1xv9B1 TYR 309 HB2 0.04 0.07 0.08 -0.04 3.06 3.21 1xv9B1 TYR 309 HB3 0.06 -0.05 0.06 -0.04 2.98 3.01 1xv9B1 TYR 309 HD2 0.03 -0.01 -0.14 -0.04 7.15 6.99 1xv9B1 TYR 309 HE2 0.03 0.03 -0.03 -0.04 6.85 6.83 1xv9B1 ALA 310 H 0.26 0.07 -0.31 -0.55 8.40 7.87 1xv9B1 ALA 310 HA 0.05 0.04 0.33 -0.75 4.34 4.00 1xv9B1 ALA 310 HB3 0.08 0.04 0.05 -0.04 1.41 1.53 1xv9B1 LYS 311 H 0.05 0.46 -0.38 -0.55 8.42 8.00 1xv9B1 LYS 311 HA -0.03 0.02 0.56 -0.75 4.32 4.12 1xv9B1 LYS 311 HB2 -0.00 0.13 0.15 -0.04 1.87 2.11 1xv9B1 LYS 311 HB3 -0.02 -0.05 0.05 -0.04 1.79 1.73 1xv9B1 LYS 311 HG2 0.04 -0.11 0.01 -0.04 1.46 1.36 1xv9B1 LYS 311 HG3 0.10 0.79 0.18 -0.04 1.46 2.48 1xv9B1 LYS 311 HD2 0.08 -0.10 -0.05 -0.04 1.69 1.58 1xv9B1 LYS 311 HD3 0.03 0.00 -0.04 -0.04 1.68 1.63 1xv9B1 LYS 311 HE2 -0.01 0.02 -0.02 -0.04 2.99 2.94 1xv9B1 LYS 311 HE3 0.01 -0.03 -0.01 -0.04 2.99 2.93 1xv9B1 LEU 312 H -0.06 0.63 0.04 -0.55 8.37 8.43 1xv9B1 LEU 312 HA -0.08 0.03 0.37 -0.75 4.35 3.92 1xv9B1 LEU 312 HB2 -0.22 0.11 0.12 -0.04 1.64 1.61 1xv9B1 LEU 312 HB3 -0.11 -0.04 -0.01 -0.04 1.64 1.44 1xv9B1 LEU 312 HG -0.03 0.14 -0.25 -0.04 1.64 1.45 1xv9B1 LEU 312 HD13 -0.02 -0.01 -0.08 -0.04 0.93 0.78 1xv9B1 LEU 312 HD23 -0.07 -0.00 -0.06 -0.04 0.89 0.72 1xv9B1 LEU 313 H -0.19 0.48 -0.28 -0.55 8.37 7.83 1xv9B1 LEU 313 HA -0.14 0.05 0.47 -0.75 4.35 3.97 1xv9B1 LEU 313 HB2 -0.11 0.12 0.03 -0.04 1.64 1.65 1xv9B1 LEU 313 HB3 -0.11 -0.02 0.01 -0.04 1.64 1.47 1xv9B1 LEU 313 HG -0.46 0.41 0.04 -0.04 1.64 1.58 1xv9B1 LEU 313 HD13 -0.07 -0.02 -0.06 -0.04 0.93 0.73 1xv9B1 LEU 313 HD23 -0.62 -0.02 -0.07 -0.04 0.89 0.14 1xv9B1 GLY 314 H -0.07 0.35 -0.20 -0.55 8.43 7.96 1xv9B1 GLY 314 HA2 -0.04 0.01 0.44 -0.51 4.01 3.92 1xv9B1 GLY 314 HA3 -0.04 0.10 0.34 -0.51 4.01 3.91 1xv9B1 LEU 315 H -0.05 0.34 -0.43 -0.55 8.37 7.69 1xv9B1 LEU 315 HA 0.08 -0.02 0.49 -0.75 4.35 4.15 1xv9B1 LEU 315 HB2 -0.03 0.17 0.16 -0.04 1.64 1.89 1xv9B1 LEU 315 HB3 0.09 -0.03 -0.03 -0.04 1.64 1.63 1xv9B1 LEU 315 HG -0.09 0.08 -0.05 -0.04 1.64 1.54 1xv9B1 LEU 315 HD13 -0.23 -0.00 -0.09 -0.04 0.93 0.56 1xv9B1 LEU 315 HD23 -0.15 -0.02 -0.04 -0.04 0.89 0.64 1xv9B1 LEU 316 H -0.03 0.53 0.07 -0.55 8.37 8.39 1xv9B1 LEU 316 HA 0.01 0.03 0.44 -0.75 4.35 4.07 1xv9B1 LEU 316 HB2 -0.05 0.02 0.18 -0.04 1.64 1.75 1xv9B1 LEU 316 HB3 -0.02 0.01 -0.05 -0.04 1.64 1.54 1xv9B1 LEU 316 HG -0.04 0.05 -0.02 -0.04 1.64 1.59 1xv9B1 LEU 316 HD13 -0.03 -0.01 -0.11 -0.04 0.93 0.74 1xv9B1 LEU 316 HD23 0.01 0.02 -0.05 -0.04 0.89 0.82 1xv9B1 ALA 317 H -0.02 0.54 -0.45 -0.55 8.40 7.92 1xv9B1 ALA 317 HA -0.02 0.04 0.50 -0.75 4.34 4.11 1xv9B1 ALA 317 HB3 -0.02 0.06 0.11 -0.04 1.41 1.52 1xv9B1 GLU 318 H -0.01 0.48 0.04 -0.55 8.60 8.56 1xv9B1 GLU 318 HA -0.05 -0.02 0.48 -0.75 4.29 3.95 1xv9B1 GLU 318 HB2 0.10 0.08 0.20 -0.04 2.09 2.43 1xv9B1 GLU 318 HB3 -0.00 -0.08 0.03 -0.04 1.99 1.90 1xv9B1 GLU 318 HG2 -0.01 0.38 0.05 -0.04 2.34 2.71 1xv9B1 GLU 318 HG3 -0.01 -0.05 -0.03 -0.04 2.34 2.21 1xv9B1 LEU 319 H -0.06 0.78 -0.21 -0.55 8.37 8.33 1xv9B1 LEU 319 HA -0.40 -0.04 0.41 -0.75 4.35 3.56 1xv9B1 LEU 319 HB2 -0.05 0.17 0.15 -0.04 1.64 1.86 1xv9B1 LEU 319 HB3 -0.10 -0.05 0.03 -0.04 1.64 1.48 1xv9B1 LEU 319 HG -0.08 0.05 -0.02 -0.04 1.64 1.55 1xv9B1 LEU 319 HD13 0.07 -0.02 -0.08 -0.04 0.93 0.86 1xv9B1 LEU 319 HD23 -0.50 -0.04 0.03 -0.04 0.89 0.35 1xv9B1 ARG 320 H -0.06 0.35 -0.54 -0.55 8.46 7.65 1xv9B1 ARG 320 HA -0.02 0.08 0.54 -0.75 4.34 4.19 1xv9B1 ARG 320 HB2 -0.02 0.11 0.19 -0.04 1.90 2.14 1xv9B1 ARG 320 HB3 -0.01 -0.05 0.07 -0.04 1.80 1.77 1xv9B1 ARG 320 HG2 -0.02 0.02 0.10 -0.04 1.67 1.73 1xv9B1 ARG 320 HG3 -0.02 0.01 0.30 -0.04 1.67 1.92 1xv9B1 ARG 320 HD2 -0.01 -0.07 0.03 -0.04 3.22 3.13 1xv9B1 ARG 320 HD3 -0.00 -0.02 0.03 -0.04 3.22 3.19 1xv9B1 SER 321 H -0.05 0.41 -0.02 -0.55 8.46 8.26 1xv9B1 SER 321 HA -0.01 -0.00 0.38 -0.75 4.49 4.10 1xv9B1 SER 321 HB2 -0.05 0.15 0.26 -0.04 3.95 4.27 1xv9B1 SER 321 HB3 -0.03 -0.05 -0.01 -0.04 3.93 3.79 1xv9B1 ILE 322 H -0.12 0.57 -0.24 -0.55 8.25 7.92 1xv9B1 ILE 322 HA 0.02 -0.07 0.33 -0.75 4.18 3.71 1xv9B1 ILE 322 HB -0.30 0.10 0.15 -0.04 1.89 1.80 1xv9B1 ILE 322 HG12 -0.27 -0.09 -0.02 -0.04 1.49 1.07 1xv9B1 ILE 322 HG13 -0.32 0.14 -0.02 -0.04 1.21 0.97 1xv9B1 ILE 322 HG23 -0.27 -0.02 -0.20 -0.04 0.93 0.41 1xv9B1 ILE 322 HD13 -1.01 -0.01 -0.07 -0.04 0.88 -0.25 1xv9B1 ASN 323 H -0.02 0.65 -0.08 -0.55 8.53 8.53 1xv9B1 ASN 323 HA 0.11 -0.08 0.37 -0.75 4.76 4.40 1xv9B1 ASN 323 HB2 0.01 0.16 0.30 -0.04 2.88 3.31 1xv9B1 ASN 323 HB3 0.03 0.04 0.14 -0.04 2.79 2.96 1xv9B1 ASN 323 HD21 0.06 -0.04 -0.02 -0.04 7.03 6.99 1xv9B1 ASN 323 HD22 0.09 -0.04 0.03 -0.04 7.74 7.79 1xv9B1 GLU 324 H 0.04 0.54 -0.14 -0.55 8.60 8.49 1xv9B1 GLU 324 HA 0.05 0.05 0.40 -0.75 4.29 4.03 1xv9B1 GLU 324 HB2 0.02 0.02 0.11 -0.04 2.09 2.20 1xv9B1 GLU 324 HB3 0.02 0.11 0.15 -0.04 1.99 2.23 1xv9B1 GLU 324 HG2 0.01 -0.05 -0.15 -0.04 2.34 2.12 1xv9B1 GLU 324 HG3 0.03 -0.02 0.06 -0.04 2.34 2.36 1xv9B1 ALA 325 H 0.09 0.58 -0.04 -0.55 8.40 8.48 1xv9B1 ALA 325 HA 0.05 0.01 0.47 -0.75 4.34 4.11 1xv9B1 ALA 325 HB3 0.20 -0.01 0.06 -0.04 1.41 1.62 1xv9B1 TYR 326 H 0.26 0.72 -0.08 -0.55 8.29 8.64 1xv9B1 TYR 326 HA -0.46 -0.05 0.47 -0.75 4.56 3.77 1xv9B1 TYR 326 HB2 0.26 -0.03 0.07 -0.04 3.06 3.32 1xv9B1 TYR 326 HB3 0.09 0.23 0.15 -0.04 2.98 3.41 1xv9B1 TYR 326 HD2 0.01 0.03 -0.04 -0.04 7.15 7.11 1xv9B1 TYR 326 HE2 0.27 -0.01 -0.08 -0.04 6.85 6.99 1xv9B1 GLY 327 H 0.10 0.55 -0.09 -0.55 8.43 8.44 1xv9B1 GLY 327 HA2 -0.21 -0.02 0.32 -0.51 4.01 3.59 1xv9B1 GLY 327 HA3 -0.02 0.16 0.29 -0.51 4.01 3.93 1xv9B1 TYR 328 H 0.08 0.35 -0.36 -0.55 8.29 7.80 1xv9B1 TYR 328 HA -0.06 0.05 0.45 -0.75 4.56 4.24 1xv9B1 TYR 328 HB2 -0.05 0.03 0.10 -0.04 3.06 3.11 1xv9B1 TYR 328 HB3 -0.08 0.14 0.13 -0.04 2.98 3.12 1xv9B1 TYR 328 HD2 -0.09 0.04 -0.12 -0.04 7.15 6.94 1xv9B1 TYR 328 HE2 -0.21 -0.03 0.00 -0.04 6.85 6.58 1xv9B1 GLN 329 H -0.09 0.39 -0.25 -0.55 8.47 7.97 1xv9B1 GLN 329 HA -0.05 -0.02 0.51 -0.75 4.36 4.04 1xv9B1 GLN 329 HB2 -0.18 0.22 0.27 -0.04 2.15 2.41 1xv9B1 GLN 329 HB3 0.21 -0.08 0.00 -0.04 2.02 2.11 1xv9B1 GLN 329 HG2 -0.38 0.33 0.11 -0.04 2.40 2.42 1xv9B1 GLN 329 HG3 -1.21 -0.07 0.00 -0.04 2.39 1.07 1xv9B1 GLN 329 HE21 0.00 -0.07 0.03 -0.04 6.97 6.89 1xv9B1 GLN 329 HE22 0.06 0.11 -0.01 -0.04 7.69 7.82 1xv9B1 ILE 330 H -0.29 0.53 -0.04 -0.55 8.25 7.90 1xv9B1 ILE 330 HA -0.14 0.04 0.33 -0.75 4.18 3.66 1xv9B1 ILE 330 HB -0.12 -0.06 0.11 -0.04 1.89 1.78 1xv9B1 ILE 330 HG12 -0.49 0.15 -0.01 -0.04 1.49 1.11 1xv9B1 ILE 330 HG13 -0.21 0.06 -0.16 -0.04 1.21 0.86 1xv9B1 ILE 330 HG23 -0.17 0.00 -0.04 -0.04 0.93 0.69 1xv9B1 ILE 330 HD13 -0.28 -0.02 -0.11 -0.04 0.88 0.43 1xv9B1 GLN 331 H -0.18 0.14 -0.81 -0.55 8.47 7.07 1xv9B1 GLN 331 HA -0.12 0.06 0.74 -0.75 4.36 4.29 1xv9B1 GLN 331 HB2 -0.21 0.09 0.02 -0.04 2.15 2.01 1xv9B1 GLN 331 HB3 -0.12 -0.06 0.03 -0.04 2.02 1.82 1xv9B1 GLN 331 HG2 -0.11 -0.00 -0.18 -0.04 2.40 2.07 1xv9B1 GLN 331 HG3 -0.15 0.17 -0.33 -0.04 2.39 2.05 1xv9B1 GLN 331 HE21 -0.04 -0.02 -0.08 -0.04 6.97 6.79 1xv9B1 GLN 331 HE22 -0.08 0.44 -0.07 -0.04 7.69 7.93 1xv9B1 HIS 332 H -0.21 0.37 0.15 -0.55 8.41 8.17 1xv9B1 HIS 332 HA -0.22 0.02 0.49 -0.75 4.63 4.17 1xv9B1 HIS 332 HB2 -0.64 -0.04 0.18 -0.04 3.26 2.72 1xv9B1 HIS 332 HB3 -0.43 0.20 0.31 -0.04 3.20 3.23 1xv9B1 HIS 332 HD2 0.00 -0.01 0.10 -0.04 6.97 7.01 1xv9B1 HIS 332 HE1 0.03 0.01 0.06 -0.04 7.75 7.80 1xv9B1 ILE 333 H -0.14 0.07 -0.64 -0.55 8.25 6.99 1xv9B1 ILE 333 HA -0.24 0.13 0.86 -0.75 4.18 4.18 1xv9B1 ILE 333 HB -0.16 -0.08 0.04 -0.04 1.89 1.65 1xv9B1 ILE 333 HG12 -0.12 0.06 -0.12 -0.04 1.49 1.27 1xv9B1 ILE 333 HG13 0.00 0.08 -0.17 -0.04 1.21 1.08 1xv9B1 ILE 333 HG23 -0.16 0.00 -0.11 -0.04 0.93 0.62 1xv9B1 ILE 333 HD13 -0.46 -0.02 -0.26 -0.04 0.88 0.10 1xv9B1 GLN 334 H -0.16 0.18 0.08 -0.55 8.47 8.02 1xv9B1 GLN 334 HA -0.09 0.03 0.33 -0.75 4.36 3.87 1xv9B1 GLN 334 HB2 -0.08 0.00 0.13 -0.04 2.15 2.16 1xv9B1 GLN 334 HB3 -0.06 0.01 0.00 -0.04 2.02 1.92 1xv9B1 GLN 334 HG2 -0.12 0.06 0.11 -0.04 2.40 2.40 1xv9B1 GLN 334 HG3 -0.08 0.00 0.06 -0.04 2.39 2.34 1xv9B1 GLN 334 HE21 -0.07 -0.00 0.01 -0.04 6.97 6.87 1xv9B1 GLN 334 HE22 -0.12 0.07 -0.01 -0.04 7.69 7.59 1xv9B1 GLY 335 H -0.06 0.14 0.15 -0.55 8.43 8.12 1xv9B1 GLY 335 HA2 -0.05 -0.01 0.40 -0.51 4.01 3.84 1xv9B1 GLY 335 HA3 -0.04 0.06 0.28 -0.51 4.01 3.80 1xv9B1 LEU 336 H -0.07 0.61 -0.67 -0.55 8.37 7.69 1xv9B1 LEU 336 HA -0.02 -0.02 0.35 -0.75 4.35 3.91 1xv9B1 LEU 336 HB2 -0.07 0.04 0.03 -0.04 1.64 1.61 1xv9B1 LEU 336 HB3 -0.09 0.11 0.02 -0.04 1.64 1.64 1xv9B1 LEU 336 HG 0.00 0.02 -0.30 -0.04 1.64 1.32 1xv9B1 LEU 336 HD13 0.10 -0.03 0.02 -0.04 0.93 0.99 1xv9B1 LEU 336 HD23 -0.07 0.00 -0.07 -0.04 0.89 0.71 1xv9B1 SER 337 H -0.07 0.26 -0.16 -0.55 8.46 7.94 1xv9B1 SER 337 HA -0.06 0.01 0.39 -0.75 4.49 4.08 1xv9B1 SER 337 HB2 -0.09 0.54 0.34 -0.04 3.95 4.71 1xv9B1 SER 337 HB3 -0.06 -0.19 0.07 -0.04 3.93 3.71 1xv9B1 ALA 338 H -0.05 0.06 -0.34 -0.55 8.40 7.53 1xv9B1 ALA 338 HA -0.03 -0.02 0.28 -0.75 4.34 3.81 1xv9B1 ALA 338 HB3 -0.03 0.05 0.09 -0.04 1.41 1.47 1xv9B1 MET 339 H -0.03 0.41 -0.23 -0.55 8.47 8.07 1xv9B1 MET 339 HA -0.02 -0.02 0.40 -0.75 4.52 4.13 1xv9B1 MET 339 HB2 -0.03 0.23 0.19 -0.04 2.15 2.50 1xv9B1 MET 339 HB3 -0.04 -0.08 -0.03 -0.04 2.03 1.85 1xv9B1 MET 339 HG2 -0.01 -0.02 0.04 -0.04 2.63 2.60 1xv9B1 MET 339 HG3 -0.01 0.00 -0.02 -0.04 2.56 2.50 1xv9B1 MET 339 HE3 0.01 -0.02 -0.07 -0.04 2.10 1.98 1xv9B1 MET 340 H -0.05 0.48 -0.24 -0.55 8.47 8.12 1xv9B1 MET 340 HA -0.06 0.19 0.97 -0.75 4.52 4.86 1xv9B1 MET 340 HB2 -0.10 -0.23 0.19 -0.04 2.15 1.98 1xv9B1 MET 340 HB3 -0.14 0.14 0.10 -0.04 2.03 2.08 1xv9B1 MET 340 HG2 -0.07 0.23 0.13 -0.04 2.63 2.88 1xv9B1 MET 340 HG3 -0.06 -0.11 0.18 -0.04 2.56 2.53 1xv9B1 MET 340 HE3 0.07 0.04 -0.11 -0.04 2.10 2.06 1xv9B1 PRO 341 HA -0.03 0.09 0.41 -0.51 4.44 4.40 1xv9B1 PRO 341 HB2 -0.02 -0.01 -0.00 -0.04 2.28 2.21 1xv9B1 PRO 341 HB3 -0.02 0.09 0.09 -0.04 2.02 2.14 1xv9B1 PRO 341 HG2 -0.02 -0.05 0.04 -0.04 2.03 1.96 1xv9B1 PRO 341 HG3 -0.02 0.06 0.05 -0.04 2.03 2.08 1xv9B1 PRO 341 HD2 -0.03 0.13 0.21 -0.04 3.68 3.95 1xv9B1 PRO 341 HD3 -0.03 0.38 -0.13 -0.04 3.65 3.83 1xv9B1 LEU 342 H -0.04 0.13 -0.29 -0.55 8.37 7.62 1xv9B1 LEU 342 HA -0.02 0.11 0.44 -0.75 4.35 4.12 1xv9B1 LEU 342 HB2 -0.03 0.05 0.07 -0.04 1.64 1.68 1xv9B1 LEU 342 HB3 -0.05 -0.07 0.11 -0.04 1.64 1.59 1xv9B1 LEU 342 HG -0.04 -0.02 -0.33 -0.04 1.64 1.21 1xv9B1 LEU 342 HD13 -0.02 0.00 -0.04 -0.04 0.93 0.83 1xv9B1 LEU 342 HD23 -0.05 0.03 -0.10 -0.04 0.89 0.72 1xv9B1 LEU 343 H -0.04 0.13 -0.09 -0.55 8.37 7.83 1xv9B1 LEU 343 HA -0.00 0.03 0.35 -0.75 4.35 3.97 1xv9B1 LEU 343 HB2 -0.02 0.17 0.14 -0.04 1.64 1.89 1xv9B1 LEU 343 HB3 0.05 0.03 -0.07 -0.04 1.64 1.61 1xv9B1 LEU 343 HG -0.00 -0.00 -0.06 -0.04 1.64 1.53 1xv9B1 LEU 343 HD13 0.09 0.00 -0.06 -0.04 0.93 0.93 1xv9B1 LEU 343 HD23 -0.08 0.00 -0.13 -0.04 0.89 0.64 1xv9B1 GLN 344 H -0.03 0.46 -0.23 -0.55 8.47 8.13 1xv9B1 GLN 344 HA -0.04 0.02 0.27 -0.75 4.36 3.87 1xv9B1 GLN 344 HB2 -0.03 0.15 0.06 -0.04 2.15 2.29 1xv9B1 GLN 344 HB3 -0.02 0.13 -0.02 -0.04 2.02 2.07 1xv9B1 GLN 344 HG2 -0.03 -0.03 -0.09 -0.04 2.40 2.22 1xv9B1 GLN 344 HG3 -0.04 -0.02 -0.05 -0.04 2.39 2.23 1xv9B1 GLN 344 HE21 -0.03 -0.03 -0.10 -0.04 6.97 6.77 1xv9B1 GLN 344 HE22 -0.03 -0.02 -0.09 -0.04 7.69 7.51 1xv9B1 GLU 345 H -0.02 0.42 -0.47 -0.55 8.60 7.99 1xv9B1 GLU 345 HA -0.01 0.03 0.55 -0.75 4.29 4.12 1xv9B1 GLU 345 HB2 -0.01 0.20 0.15 -0.04 2.09 2.38 1xv9B1 GLU 345 HB3 -0.00 -0.07 -0.02 -0.04 1.99 1.85 1xv9B1 GLU 345 HG2 -0.01 -0.05 0.02 -0.04 2.34 2.26 1xv9B1 GLU 345 HG3 -0.01 0.16 0.06 -0.04 2.34 2.51 1xv9B1 ILE 346 H -0.00 0.37 0.01 -0.55 8.25 8.08 1xv9B1 ILE 346 HA 0.01 -0.02 0.47 -0.75 4.18 3.88 1xv9B1 ILE 346 HB 0.02 0.06 0.15 -0.04 1.89 2.08 1xv9B1 ILE 346 HG12 -0.01 0.20 -0.05 -0.04 1.49 1.60 1xv9B1 ILE 346 HG13 -0.02 -0.09 -0.09 -0.04 1.21 0.97 1xv9B1 ILE 346 HG23 0.02 -0.00 -0.05 -0.04 0.93 0.85 1xv9B1 ILE 346 HD13 -0.01 -0.01 -0.16 -0.04 0.88 0.67 1xv9B1 CYS 347 H 0.00 0.46 -0.34 -0.55 8.50 8.08 1xv9B1 CYS 347 HA 0.02 0.18 0.71 -0.75 4.58 4.73 1xv9B1 CYS 347 HB2 -0.03 0.06 -0.05 -0.04 2.97 2.91 1xv9B1 CYS 347 HB3 -0.03 -0.05 0.08 -0.04 2.97 2.94 1xv9B1 SER 348 H -0.00 0.21 -0.50 -0.55 8.46 7.61 1xv9B1 SER 348 HA -0.01 0.06 0.30 -0.75 4.49 4.09 1xv9B1 SER 348 HB2 -0.01 -0.10 0.07 -0.04 3.95 3.88 1xv9B1 SER 348 HB3 -0.01 0.12 0.14 -0.04 3.93 4.14