#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1av5 n GLY 15 N 0.00 3.40 2.27 -0.02 0.00 -1.26 -4.04 105.19 105.55 1av5 n GLY 15 Ca 0.00 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 1av5 n GLY 15 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1av5 n ASP 16 N 0.00 5.98 -4.57 1.61 5.68 -1.26 -4.56 116.55 119.44 1av5 n ASP 16 Ca 0.00 -3.69 -0.27 0.00 -0.50 0.00 0.00 54.79 50.33 1av5 n ASP 16 Cb 0.00 -0.92 -0.10 0.00 -1.14 0.00 0.00 41.12 38.96 1av5 n ASP 16 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1av5 s THR 17 N -4.12 1.59 0.60 2.12 -4.23 -1.26 -5.03 115.64 105.31 1av5 s THR 17 Ca 0.61 -2.00 0.40 0.00 -1.18 0.00 0.00 61.69 59.52 1av5 s THR 17 Cb 0.49 -2.79 0.42 0.00 1.34 0.00 0.00 72.50 71.96 1av5 s THR 17 CO 0.04 0.00 2.31 -0.29 -0.54 0.00 0.00 174.62 176.14 1av5 h ILE 18 N 1.81 0.14 0.00 2.99 2.10 -1.99 -0.64 117.51 121.92 1av5 h ILE 18 Ca -0.43 -0.07 -0.11 0.00 1.08 0.00 0.00 64.86 65.34 1av5 h ILE 18 Cb 1.25 1.06 -0.02 0.00 -1.09 0.00 0.00 36.82 38.03 1av5 h ILE 18 CO 0.76 0.01 -0.52 -0.26 -1.08 0.00 0.00 178.15 177.06 1av5 h PHE 19 N 0.00 0.00 -0.16 2.19 -1.00 -1.95 -2.49 116.94 113.53 1av5 h PHE 19 Ca -0.00 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 1av5 h PHE 19 Cb 0.06 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.61 1av5 h PHE 19 CO 0.00 0.52 -0.17 0.78 -1.61 0.00 0.00 178.31 177.83 1av5 h GLY 20 N 1.96 0.43 1.17 -1.45 0.00 -1.36 -0.70 103.07 103.12 1av5 h GLY 20 Ca -0.01 -0.44 0.04 0.00 0.00 0.00 0.00 47.33 46.92 1av5 h GLY 20 CO 0.07 0.40 0.46 0.50 0.00 0.00 0.00 176.54 177.97 1av5 h LYS 21 N 0.03 0.78 -0.34 4.80 1.57 -1.34 -0.25 116.57 121.83 1av5 h LYS 21 Ca 0.02 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1av5 h LYS 21 Cb 0.71 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1av5 h LYS 21 CO 0.04 0.52 -0.12 0.82 -0.57 0.00 0.00 179.45 180.13 1av5 h ILE 22 N 0.80 1.28 -0.79 1.86 2.04 -1.22 0.49 117.51 121.98 1av5 h ILE 22 Ca 0.28 -1.21 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 1av5 h ILE 22 Cb 0.12 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1av5 h ILE 22 CO -0.08 0.39 0.31 0.40 0.00 0.00 0.00 178.15 179.17 1av5 h ILE 23 N 0.46 1.26 0.00 -0.67 2.04 -0.46 -1.57 117.51 118.57 1av5 h ILE 23 Ca 0.08 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1av5 h ILE 23 Cb 0.64 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1av5 h ILE 23 CO 0.04 0.34 0.00 0.54 0.00 0.00 0.00 178.15 179.07 1av5 n ARG 24 N -4.27 0.89 -1.21 2.37 1.74 -0.17 -4.86 116.66 111.16 1av5 n ARG 24 Ca 0.07 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.08 1av5 n ARG 24 Cb 0.19 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 1av5 n ARG 24 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1av5 n LYS 25 N -1.01 -1.25 0.10 5.56 4.76 -0.59 -4.86 118.16 120.87 1av5 n LYS 25 Ca 0.22 0.67 0.01 0.00 -2.87 0.00 0.00 58.31 56.34 1av5 n LYS 25 Cb 0.10 -4.78 0.35 0.00 -1.84 0.00 0.00 35.03 28.87 1av5 n LYS 25 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1av5 h GLU 26 N 0.15 0.26 -4.76 1.97 5.08 -0.26 -3.43 114.58 113.59 1av5 h GLU 26 Ca -0.14 -0.07 -0.25 0.00 -1.00 0.00 0.00 59.36 57.90 1av5 h GLU 26 Cb 0.84 -0.03 -0.15 0.00 0.50 0.00 0.00 28.75 29.91 1av5 h GLU 26 CO 0.21 0.43 -0.70 0.96 -1.00 0.00 0.00 179.01 178.91 1av5 s ILE 27 N -4.65 0.82 0.37 3.13 -4.36 -1.05 -5.01 121.20 110.45 1av5 s ILE 27 Ca -0.05 -1.97 -0.16 0.00 -0.26 0.00 0.00 60.65 58.21 1av5 s ILE 27 Cb 0.15 -1.73 -0.09 0.00 1.25 0.00 0.00 42.46 42.04 1av5 s ILE 27 CO 0.74 -0.83 0.80 -2.16 0.24 0.00 0.00 174.94 173.72 1av5 s PRO 28 N -3.81 4.01 -0.08 0.37 0.04 -1.26 -4.45 135.00 129.82 1av5 s PRO 28 Ca 0.13 0.75 -0.18 0.00 0.04 0.00 0.00 61.00 61.74 1av5 s PRO 28 Cb 0.05 -2.36 0.04 0.00 0.04 0.00 0.00 34.50 32.27 1av5 s PRO 28 CO -0.03 0.07 0.43 0.00 0.04 0.00 0.00 177.00 177.50 1av5 s ALA 29 N -2.12 -1.08 -0.99 8.56 0.00 -1.26 -5.02 121.76 119.85 1av5 s ALA 29 Ca 0.56 0.84 -0.24 0.00 0.00 0.00 0.00 51.96 53.12 1av5 s ALA 29 Cb -0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1av5 s ALA 29 CO 0.19 -0.26 1.88 0.15 0.00 0.00 0.00 175.76 177.72 1av5 s LYS 30 N -0.74 2.70 -0.02 0.00 1.02 -1.26 -4.93 119.74 116.51 1av5 s LYS 30 Ca -0.08 -0.63 -0.30 0.00 0.02 0.00 0.00 55.97 54.98 1av5 s LYS 30 Cb -0.04 -5.15 -0.06 0.00 -0.52 0.00 0.00 37.83 32.06 1av5 s LYS 30 CO 0.04 -3.35 1.63 0.42 -0.92 0.00 0.00 175.35 173.17 1av5 s ILE 31 N 9.54 3.48 -0.22 2.17 1.01 -1.26 -1.80 121.20 134.13 1av5 s ILE 31 Ca 0.67 0.70 -0.17 0.00 0.00 0.00 0.00 60.65 61.84 1av5 s ILE 31 Cb -0.04 -3.45 -0.14 0.00 0.01 0.00 0.00 42.46 38.84 1av5 s ILE 31 CO 0.02 -0.04 -0.05 -0.38 0.00 0.00 0.00 174.94 174.49 1av5 n ILE 32 N 5.24 1.51 -3.91 2.92 5.41 0.72 -4.95 119.36 126.30 1av5 n ILE 32 Ca 0.17 -0.08 -0.10 0.00 1.00 0.00 0.00 62.75 63.74 1av5 n ILE 32 Cb 0.42 -2.07 -0.09 0.00 -0.71 0.00 0.00 39.64 37.19 1av5 n ILE 32 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1av5 s PHE 33 N -2.43 0.16 -0.11 1.39 5.36 -0.84 -4.96 117.98 116.55 1av5 s PHE 33 Ca -0.30 -0.41 -0.15 0.00 -0.96 0.00 0.00 56.93 55.11 1av5 s PHE 33 Cb 0.08 -0.11 0.04 0.00 -0.34 0.00 0.00 43.02 42.68 1av5 s PHE 33 CO 0.50 -0.35 0.39 -2.00 -1.46 0.00 0.00 175.22 172.30 1av5 s GLU 34 N -2.33 0.56 0.00 10.12 2.12 -1.26 -0.14 118.70 127.76 1av5 s GLU 34 Ca -0.07 0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.59 1av5 s GLU 34 Cb -0.03 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.63 1av5 s GLU 34 CO -0.03 -0.11 0.00 -0.40 -0.54 0.00 0.00 175.26 174.18 1av5 n ASP 35 N 2.31 0.00 0.17 -1.70 5.68 -1.05 -5.02 116.55 116.95 1av5 n ASP 35 Ca -0.16 -0.55 0.13 0.00 -0.50 0.00 0.00 54.79 53.72 1av5 n ASP 35 Cb 0.57 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 41.02 1av5 n ASP 35 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1av5 h ASP 36 N 0.00 0.00 0.00 -1.12 2.03 -2.04 -3.35 116.42 111.95 1av5 h ASP 36 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1av5 h ASP 36 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1av5 h ASP 36 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 179.24 176.10 1av5 n ARG 37 N -2.57 -0.65 -3.89 4.15 1.85 -1.26 -4.93 116.66 109.36 1av5 n ARG 37 Ca 0.03 -0.56 -0.11 0.00 -1.00 0.00 0.00 57.85 56.21 1av5 n ARG 37 Cb 0.34 -0.98 0.00 0.00 -1.05 0.00 0.00 32.46 30.77 1av5 n ARG 37 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1av5 s LEU 39 N -3.12 -0.46 -0.10 0.00 0.20 -0.37 -2.53 118.68 112.29 1av5 s LEU 39 Ca 0.20 1.11 -0.01 0.00 0.69 0.00 0.00 54.13 56.11 1av5 s LEU 39 Cb -0.04 1.66 -0.03 0.00 -0.43 0.00 0.00 46.19 47.36 1av5 s LEU 39 CO 0.14 -0.21 -0.03 0.00 -0.29 0.00 0.00 176.35 175.96 1av5 s ALA 40 N 1.75 3.09 0.08 5.97 0.00 0.81 -1.45 121.76 132.00 1av5 s ALA 40 Ca -0.08 -0.84 -0.14 0.00 0.00 0.00 0.00 51.96 50.90 1av5 s ALA 40 Cb -0.08 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.64 1av5 s ALA 40 CO -0.15 0.47 0.33 -0.59 0.00 0.00 0.00 175.76 175.82 1av5 s PHE 41 N -0.48 -0.11 0.34 0.00 -0.71 -0.60 -0.20 117.98 116.22 1av5 s PHE 41 Ca 0.08 -0.13 -0.27 0.00 -1.04 0.00 0.00 56.93 55.57 1av5 s PHE 41 Cb -0.12 0.14 -0.09 0.00 -1.21 0.00 0.00 43.02 41.73 1av5 s PHE 41 CO 0.02 -0.58 1.07 -1.01 -1.34 0.00 0.00 175.22 173.38 1av5 s HIS 42 N -3.20 3.44 0.13 3.49 3.76 -0.74 0.12 115.29 122.28 1av5 s HIS 42 Ca -0.01 1.68 -0.31 0.00 -0.15 0.00 0.00 55.06 56.28 1av5 s HIS 42 Cb 0.01 -3.20 -0.08 0.00 1.11 0.00 0.00 32.58 30.42 1av5 s HIS 42 CO -0.07 -0.57 1.36 0.34 -0.85 0.00 0.00 174.74 174.94 1av5 s ASP 43 N -1.21 6.86 0.41 1.40 -1.08 0.10 -4.63 116.67 118.53 1av5 s ASP 43 Ca 0.51 2.32 0.28 0.00 -0.52 0.00 0.00 52.55 55.13 1av5 s ASP 43 Cb -0.27 -2.59 1.50 0.00 -1.46 0.00 0.00 42.92 40.10 1av5 s ASP 43 CO 0.34 -0.61 1.84 -0.29 0.52 0.00 0.00 175.17 176.98 1av5 h ILE 44 N 4.16 0.00 -2.26 4.11 2.10 -1.94 -3.25 117.51 120.43 1av5 h ILE 44 Ca -0.43 0.00 -0.57 0.00 1.08 0.00 0.00 64.86 64.95 1av5 h ILE 44 Cb 1.21 0.61 -0.37 0.00 -1.09 0.00 0.00 36.82 37.18 1av5 h ILE 44 CO 0.84 0.00 -0.96 -0.24 -1.08 0.00 0.00 178.15 176.71 1av5 n SER 45 N -2.47 -0.61 -4.77 2.19 2.88 -1.26 -5.14 113.62 104.44 1av5 n SER 45 Ca -0.02 -2.42 -0.38 0.00 -1.33 0.00 0.00 58.87 54.72 1av5 n SER 45 Cb 0.05 -0.44 -0.01 0.00 -0.75 0.00 0.00 64.21 63.07 1av5 n SER 45 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1av5 s PRO 46 N 0.02 3.89 -0.05 -1.46 0.04 -1.23 -4.95 135.00 131.26 1av5 s PRO 46 Ca 0.33 1.92 0.10 0.00 0.04 0.00 0.00 61.00 63.39 1av5 s PRO 46 Cb 0.05 -2.59 0.29 0.00 0.04 0.00 0.00 34.50 32.29 1av5 s PRO 46 CO -0.19 -0.48 1.23 1.04 0.04 0.00 0.00 177.00 178.64 1av5 n GLN 47 N -0.15 2.80 -3.47 4.56 1.13 -1.26 -4.94 117.38 116.04 1av5 n GLN 47 Ca 0.05 -2.14 -0.11 0.00 -1.94 0.00 0.00 57.00 52.87 1av5 n GLN 47 Cb 0.46 -1.35 -0.03 0.00 0.11 0.00 0.00 30.24 29.44 1av5 n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1av5 s ALA 48 N -1.51 -1.72 0.29 -1.58 0.00 -1.26 -5.02 121.76 110.96 1av5 s ALA 48 Ca 0.23 0.85 0.04 0.00 0.00 0.00 0.00 51.96 53.08 1av5 s ALA 48 Cb 0.15 0.51 0.70 0.00 0.00 0.00 0.00 23.12 24.48 1av5 s ALA 48 CO 0.10 -0.67 1.73 -1.35 0.00 0.00 0.00 175.76 175.58 1av5 h PRO 49 N 2.15 0.54 -5.04 0.00 0.11 -1.76 -3.33 132.00 124.66 1av5 h PRO 49 Ca -0.28 -0.03 -0.67 0.00 0.11 0.00 0.00 66.00 65.13 1av5 h PRO 49 Cb 1.26 -0.12 -0.33 0.00 0.11 0.00 0.00 31.00 31.92 1av5 h PRO 49 CO 0.35 0.36 -0.82 0.99 -0.21 0.00 0.00 178.00 178.67 1av5 s THR 50 N -5.89 2.46 -0.24 -1.15 2.01 -0.67 -5.00 115.64 107.16 1av5 s THR 50 Ca -0.11 -0.81 -0.03 0.00 0.31 0.00 0.00 61.69 61.05 1av5 s THR 50 Cb 0.24 -2.06 0.12 0.00 0.01 0.00 0.00 72.50 70.81 1av5 s THR 50 CO 0.79 0.50 0.32 -2.28 -0.69 0.00 0.00 174.62 173.26 1av5 s HIS 51 N 1.34 -0.63 0.25 4.92 5.04 -1.25 -0.38 115.29 124.57 1av5 s HIS 51 Ca 0.05 0.52 0.04 0.00 -1.54 0.00 0.00 55.06 54.13 1av5 s HIS 51 Cb -0.13 -0.16 -0.05 0.00 0.04 0.00 0.00 32.58 32.28 1av5 s HIS 51 CO -0.10 -0.72 -0.00 -0.59 -2.34 0.00 0.00 174.74 170.99 1av5 s PHE 52 N 2.46 1.66 0.08 3.88 -0.12 -0.35 0.03 117.98 125.62 1av5 s PHE 52 Ca 0.10 -0.90 0.09 0.00 -0.05 0.00 0.00 56.93 56.17 1av5 s PHE 52 Cb -0.15 -0.97 -0.04 0.00 -0.63 0.00 0.00 43.02 41.23 1av5 s PHE 52 CO -0.17 0.00 -0.20 -0.51 -0.05 0.00 0.00 175.22 174.29 1av5 s LEU 53 N -3.34 2.56 -0.21 -1.99 1.43 0.32 -1.28 118.68 116.17 1av5 s LEU 53 Ca 0.30 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1av5 s LEU 53 Cb 0.06 -1.46 0.04 0.00 0.03 0.00 0.00 46.19 44.86 1av5 s LEU 53 CO 0.10 0.21 -0.11 -0.69 0.23 0.00 0.00 176.35 176.10 1av5 s VAL 54 N -1.02 1.72 0.20 -1.59 1.01 0.83 -1.56 120.40 119.99 1av5 s VAL 54 Ca 0.16 -1.08 0.11 0.00 0.00 0.00 0.00 61.98 61.16 1av5 s VAL 54 Cb -0.10 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1av5 s VAL 54 CO 0.07 0.16 -0.22 0.27 0.00 0.00 0.00 175.10 175.38 1av5 s ILE 55 N 1.36 2.26 0.26 2.22 -4.36 -0.53 -1.50 121.20 120.91 1av5 s ILE 55 Ca -0.02 -2.08 0.00 0.00 -0.26 0.00 0.00 60.65 58.29 1av5 s ILE 55 Cb -0.17 -2.10 -0.04 0.00 1.25 0.00 0.00 42.46 41.41 1av5 s ILE 55 CO -0.08 -0.21 0.45 -2.16 0.24 0.00 0.00 174.94 173.18 1av5 s PRO 56 N -2.85 3.51 0.31 0.37 0.04 -1.26 -1.24 135.00 133.88 1av5 s PRO 56 Ca 0.21 -0.36 0.19 0.00 0.04 0.00 0.00 61.00 61.09 1av5 s PRO 56 Cb -0.07 -2.77 0.15 0.00 0.04 0.00 0.00 34.50 31.85 1av5 s PRO 56 CO 0.10 0.31 1.40 0.87 0.04 0.00 0.00 177.00 179.72 1av5 h LYS 57 N 1.47 0.00 -6.47 4.56 1.57 -1.69 -3.45 116.57 112.56 1av5 h LYS 57 Ca -0.49 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.75 1av5 h LYS 57 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1av5 h LYS 57 CO 0.65 0.21 0.58 0.21 -0.57 0.00 0.00 179.45 180.52 1av5 s LYS 58 N -3.11 4.42 -0.99 3.15 2.20 -1.26 -4.57 119.74 119.58 1av5 s LYS 58 Ca 0.04 1.77 -0.24 0.00 -0.36 0.00 0.00 55.97 57.19 1av5 s LYS 58 Cb 0.07 -3.36 -0.02 0.00 -1.51 0.00 0.00 37.83 33.00 1av5 s LYS 58 CO 0.73 -0.28 1.80 -1.58 -0.36 0.00 0.00 175.35 175.66 1av5 s HIS 59 N 1.17 2.06 -0.31 4.03 5.65 -1.26 -4.90 115.29 121.73 1av5 s HIS 59 Ca 0.59 0.11 -0.11 0.00 0.25 0.00 0.00 55.06 55.90 1av5 s HIS 59 Cb -0.29 -4.25 -0.02 0.00 -1.18 0.00 0.00 32.58 26.84 1av5 s HIS 59 CO 0.29 -1.74 0.19 0.42 -0.65 0.00 0.00 174.74 173.25 1av5 s ILE 60 N 8.55 4.99 0.18 0.89 1.01 -1.26 -5.02 121.20 130.54 1av5 s ILE 60 Ca 0.63 -0.18 -0.09 0.00 0.00 0.00 0.00 60.65 61.01 1av5 s ILE 60 Cb -0.04 -3.49 0.04 0.00 0.01 0.00 0.00 42.46 38.98 1av5 s ILE 60 CO -0.01 0.11 1.61 0.77 0.00 0.00 0.00 174.94 177.42 1av5 h SER 61 N 8.40 1.02 -4.87 3.58 4.64 -1.91 0.90 113.55 125.30 1av5 h SER 61 Ca -0.33 -0.33 -0.09 0.00 -0.47 0.00 0.00 61.79 60.57 1av5 h SER 61 Cb 1.16 -0.28 -0.20 0.00 -0.31 0.00 0.00 62.40 62.78 1av5 h SER 61 CO 0.60 1.12 -0.05 0.00 -0.87 0.00 0.00 176.83 177.63 1av5 s GLN 62 N -4.86 0.83 0.49 4.77 -2.07 -1.26 -0.90 119.66 116.67 1av5 s GLN 62 Ca -0.11 0.12 0.23 0.00 -1.82 0.00 0.00 55.36 53.77 1av5 s GLN 62 Cb 0.13 0.39 1.28 0.00 -1.09 0.00 0.00 33.01 33.72 1av5 s GLN 62 CO 0.86 -0.23 1.93 0.97 -1.32 0.00 0.00 175.29 177.50 1av5 h ILE 63 N 3.54 0.70 0.00 3.63 6.09 -1.90 -0.64 117.51 128.94 1av5 h ILE 63 Ca -0.28 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 1av5 h ILE 63 Cb 1.16 0.52 0.00 0.00 0.47 0.00 0.00 36.82 38.97 1av5 h ILE 63 CO 0.37 0.03 0.00 -1.54 -3.07 0.00 0.00 178.15 173.94 1av5 n SER 64 N -4.40 0.32 -0.40 2.19 3.41 -1.26 -2.16 113.62 111.32 1av5 n SER 64 Ca 0.14 0.57 0.10 0.00 -0.26 0.00 0.00 58.87 59.42 1av5 n SER 64 Cb 0.68 -0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1av5 n SER 64 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1av5 n VAL 65 N -1.84 0.00 -2.09 -3.33 0.31 -0.25 -4.98 118.33 106.16 1av5 n VAL 65 Ca 0.03 -0.24 -0.37 0.00 -0.01 0.00 0.00 64.34 63.75 1av5 n VAL 65 Cb 0.23 1.21 0.01 0.00 -0.91 0.00 0.00 33.84 34.38 1av5 n VAL 65 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1av5 s ALA 66 N -2.44 2.92 0.30 3.52 0.00 -0.92 -5.02 121.76 120.11 1av5 s ALA 66 Ca 0.16 1.08 0.05 0.00 0.00 0.00 0.00 51.96 53.24 1av5 s ALA 66 Cb 0.17 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 1av5 s ALA 66 CO 0.58 -0.91 0.44 -1.21 0.00 0.00 0.00 175.76 174.65 1av5 s GLU 67 N -2.78 3.32 0.60 0.00 8.01 -1.26 -4.97 118.70 121.63 1av5 s GLU 67 Ca 0.66 -0.76 0.33 0.00 0.01 0.00 0.00 54.97 55.21 1av5 s GLU 67 Cb -0.33 -2.82 1.94 0.00 -4.31 0.00 0.00 34.13 28.61 1av5 s GLU 67 CO 0.39 0.24 2.27 -0.44 0.01 0.00 0.00 175.26 177.73 1av5 h ASP 68 N 0.98 0.00 -0.08 -0.19 3.32 -2.01 0.15 116.42 118.60 1av5 h ASP 68 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1av5 h ASP 68 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1av5 h ASP 68 CO 0.58 0.01 0.00 0.47 -1.72 0.00 0.00 179.24 178.58 1av5 n ASP 69 N -3.65 0.56 -0.32 6.45 9.92 -1.26 -2.70 116.55 125.55 1av5 n ASP 69 Ca -0.03 -1.73 0.03 0.00 -0.53 0.00 0.00 54.79 52.54 1av5 n ASP 69 Cb 0.09 -0.05 0.06 0.00 -0.64 0.00 0.00 41.12 40.58 1av5 n ASP 69 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1av5 n ASP 70 N -0.32 2.00 -0.22 -2.24 8.00 0.54 -4.75 116.55 119.56 1av5 n ASP 70 Ca 0.10 -1.59 0.02 0.00 0.71 0.00 0.00 54.79 54.03 1av5 n ASP 70 Cb 0.13 -0.06 0.14 0.00 -0.02 0.00 0.00 41.12 41.30 1av5 n ASP 70 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1av5 h GLU 71 N 1.28 0.33 -0.08 -1.24 4.81 -1.61 0.33 114.58 118.41 1av5 h GLU 71 Ca 0.00 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.01 1av5 h GLU 71 Cb 0.44 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1av5 h GLU 71 CO 0.00 0.22 -0.78 0.66 -0.73 0.00 0.00 179.01 178.38 1av5 h SER 72 N 0.35 0.59 -0.46 1.04 4.64 -1.85 0.14 113.55 117.99 1av5 h SER 72 Ca 0.35 -0.40 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 1av5 h SER 72 Cb 0.52 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 1av5 h SER 72 CO -0.39 1.16 0.23 0.25 -0.87 0.00 0.00 176.83 177.20 1av5 h LEU 73 N 0.32 0.60 -0.60 5.97 5.85 -1.79 0.46 115.31 126.13 1av5 h LEU 73 Ca -0.04 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.46 1av5 h LEU 73 Cb 1.38 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 1av5 h LEU 73 CO 0.14 0.55 0.00 -0.07 -0.34 0.00 0.00 178.44 178.72 1av5 h LEU 74 N 0.60 1.03 -1.09 2.25 3.38 -0.21 -1.08 115.31 120.20 1av5 h LEU 74 Ca 0.16 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 1av5 h LEU 74 Cb 0.11 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1av5 h LEU 74 CO -0.02 1.08 -0.36 1.23 0.09 0.00 0.00 178.44 180.47 1av5 h GLY 75 N 0.95 0.19 0.92 0.83 0.00 -0.55 -3.19 103.07 102.22 1av5 h GLY 75 Ca 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1av5 h GLY 75 CO 0.03 0.15 -0.12 0.84 0.00 0.00 0.00 176.54 177.44 1av5 h HIS 76 N 0.15 -0.32 -1.14 5.60 -0.00 0.82 -0.23 115.15 120.04 1av5 h HIS 76 Ca 0.02 -0.01 0.38 0.00 -0.00 0.00 0.00 60.37 60.76 1av5 h HIS 76 Cb 0.71 0.10 -0.14 0.00 -0.00 0.00 0.00 27.41 28.08 1av5 h HIS 76 CO 0.01 -0.14 0.69 -0.07 -0.00 0.00 0.00 177.93 178.42 1av5 h LEU 77 N -0.42 0.36 0.24 0.26 3.38 -1.22 0.57 115.31 118.48 1av5 h LEU 77 Ca -0.03 0.17 -0.33 0.00 0.09 0.00 0.00 57.88 57.78 1av5 h LEU 77 Cb 0.32 0.15 0.04 0.00 0.09 0.00 0.00 40.66 41.26 1av5 h LEU 77 CO 0.06 -0.20 -1.46 0.24 0.09 0.00 0.00 178.44 177.17 1av5 h MET 78 N 0.17 0.52 0.15 1.13 2.86 -1.50 0.19 114.93 118.44 1av5 h MET 78 Ca 0.78 -0.88 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1av5 h MET 78 Cb 2.15 0.33 0.00 0.00 0.06 0.00 0.00 31.60 34.14 1av5 h MET 78 CO -0.54 1.42 -0.08 0.82 1.06 0.00 0.00 176.91 179.60 1av5 h ILE 79 N 0.14 0.84 -0.74 -1.22 1.08 0.14 -0.21 117.51 117.55 1av5 h ILE 79 Ca -0.24 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.30 1av5 h ILE 79 Cb 2.15 0.84 -0.05 0.00 -3.07 0.00 0.00 36.82 36.69 1av5 h ILE 79 CO 0.27 0.00 0.48 0.58 -0.69 0.00 0.00 178.15 178.79 1av5 h VAL 80 N -0.21 1.00 -0.63 1.67 2.07 -0.11 -2.54 116.25 117.51 1av5 h VAL 80 Ca -0.02 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1av5 h VAL 80 Cb 0.17 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1av5 h VAL 80 CO 0.03 0.14 0.39 1.23 0.02 0.00 0.00 177.57 179.38 1av5 h GLY 81 N 0.75 0.90 2.00 2.17 0.00 0.53 -1.67 103.07 107.75 1av5 h GLY 81 Ca 0.32 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 1av5 h GLY 81 CO -0.11 0.35 -0.38 0.07 0.00 0.00 0.00 176.54 176.48 1av5 h LYS 82 N 0.85 0.00 0.18 4.80 5.09 -0.68 -2.79 116.57 124.01 1av5 h LYS 82 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.96 1av5 h LYS 82 Cb -0.05 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.28 1av5 h LYS 82 CO -0.05 0.38 -0.09 -0.22 -2.09 0.00 0.00 179.45 177.38 1av5 h LYS 83 N 0.00 -0.23 -0.08 0.07 3.64 -1.23 -1.96 116.57 116.78 1av5 h LYS 83 Ca -0.00 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1av5 h LYS 83 Cb 1.09 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 1av5 h LYS 83 CO 0.05 0.19 -0.08 0.00 -2.27 0.00 0.00 179.45 177.33 1av5 h ALA 85 N 1.81 0.68 -0.58 0.00 0.00 -1.37 -2.84 119.26 116.97 1av5 h ALA 85 Ca 0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1av5 h ALA 85 Cb 0.22 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1av5 h ALA 85 CO 0.01 0.66 0.29 0.00 0.00 0.00 0.00 179.25 180.21 1av5 h ALA 86 N 0.87 0.74 0.00 0.00 0.00 -0.75 -2.58 119.26 117.55 1av5 h ALA 86 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1av5 h ALA 86 Cb 0.78 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1av5 h ALA 86 CO 0.06 0.30 0.00 -0.25 0.00 0.00 0.00 179.25 179.36 1av5 n ASP 87 N -4.55 0.00 -0.30 0.00 8.00 -0.76 -2.48 116.55 116.46 1av5 n ASP 87 Ca 0.03 -0.71 0.09 0.00 0.71 0.00 0.00 54.79 54.92 1av5 n ASP 87 Cb 0.11 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.38 1av5 n ASP 87 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1av5 n LEU 88 N -0.88 2.77 -1.73 0.64 4.77 -1.12 -4.99 117.00 116.47 1av5 n LEU 88 Ca 0.10 -3.02 -0.18 0.00 -0.03 0.00 0.00 56.01 52.88 1av5 n LEU 88 Cb 0.05 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 40.64 1av5 n LEU 88 CO 0.08 0.69 -0.20 0.61 -1.33 0.00 0.00 177.39 177.24 1av5 n GLY 89 N -1.13 0.78 3.22 -0.72 0.00 -1.04 -4.91 105.19 101.39 1av5 n GLY 89 Ca 0.17 -0.13 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 1av5 n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1av5 n LEU 90 N -2.35 5.83 0.09 0.99 4.77 -0.98 -4.68 117.00 120.67 1av5 n LEU 90 Ca -0.20 -4.67 0.12 0.00 -0.03 0.00 0.00 56.01 51.22 1av5 n LEU 90 Cb 0.63 -1.52 0.07 0.00 -2.33 0.00 0.00 43.42 40.27 1av5 n LEU 90 CO 0.27 1.11 0.19 -0.55 -1.33 0.00 0.00 177.39 177.08 1av5 h ASN 91 N 6.46 0.00 -0.06 -1.43 -1.07 -1.89 -3.37 115.58 114.23 1av5 h ASN 91 Ca 0.31 -0.09 0.00 0.00 0.07 0.00 0.00 56.30 56.59 1av5 h ASN 91 Cb 0.77 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.02 1av5 h ASN 91 CO 1.34 0.05 0.00 0.29 0.07 0.00 0.00 177.43 179.18 1av5 n LYS 92 N -2.47 1.64 0.00 4.14 4.76 -1.26 -5.04 118.16 119.93 1av5 n LYS 92 Ca 0.01 -0.95 0.00 0.00 -2.87 0.00 0.00 58.31 54.51 1av5 n LYS 92 Cb 0.50 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 1av5 n LYS 92 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1av5 n GLY 93 N 1.15 2.36 3.66 0.72 0.00 -1.26 -5.11 105.19 106.72 1av5 n GLY 93 Ca 0.18 -2.12 0.02 0.00 0.00 0.00 0.00 46.02 44.10 1av5 n GLY 93 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1av5 s TYR 94 N -1.83 -0.03 -0.01 1.61 1.13 -1.26 -4.56 117.35 112.39 1av5 s TYR 94 Ca 0.00 -0.07 0.05 0.00 -1.41 0.00 0.00 57.07 55.64 1av5 s TYR 94 Cb 0.00 0.55 -0.01 0.00 -1.10 0.00 0.00 41.96 41.40 1av5 s TYR 94 CO 0.00 -0.27 -0.18 0.50 -2.51 0.00 0.00 175.55 173.09 1av5 s ARG 95 N -2.36 1.43 -0.09 -3.49 3.52 0.37 -4.97 118.95 113.36 1av5 s ARG 95 Ca 0.16 -0.63 -0.00 0.00 -0.13 0.00 0.00 55.73 55.13 1av5 s ARG 95 Cb 0.04 -1.38 -0.03 0.00 -1.56 0.00 0.00 34.95 32.03 1av5 s ARG 95 CO -0.04 0.37 -0.07 -1.64 -0.81 0.00 0.00 175.30 173.12 1av5 s MET 96 N -0.40 3.00 -0.02 5.12 -1.94 -1.26 -1.22 119.30 122.58 1av5 s MET 96 Ca 0.07 -0.56 -0.00 0.00 -1.71 0.00 0.00 55.69 53.48 1av5 s MET 96 Cb -0.07 -2.65 0.02 0.00 2.01 0.00 0.00 34.83 34.14 1av5 s MET 96 CO -0.01 0.53 0.03 0.08 -0.01 0.00 0.00 175.02 175.64 1av5 s VAL 97 N -0.44 -0.03 -0.07 -6.03 1.01 -0.44 -4.97 120.40 109.44 1av5 s VAL 97 Ca 0.06 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.21 1av5 s VAL 97 Cb -0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 36.38 36.19 1av5 s VAL 97 CO 0.02 0.05 -0.21 -0.69 0.00 0.00 0.00 175.10 174.27 1av5 s VAL 98 N 0.59 1.77 -0.05 2.92 1.01 -1.26 -1.36 120.40 124.02 1av5 s VAL 98 Ca -0.05 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.06 1av5 s VAL 98 Cb -0.07 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1av5 s VAL 98 CO -0.02 0.50 -0.08 0.20 0.00 0.00 0.00 175.10 175.70 1av5 s ASN 99 N 0.13 4.57 -0.18 3.32 0.01 -1.26 -5.10 114.94 116.43 1av5 s ASN 99 Ca -0.09 -0.06 0.00 0.00 -0.71 0.00 0.00 52.86 52.00 1av5 s ASN 99 Cb -0.15 -1.11 0.01 0.00 0.41 0.00 0.00 41.25 40.41 1av5 s ASN 99 CO 0.05 0.35 -0.18 -0.70 -1.51 0.00 0.00 177.10 175.11 1av5 s GLU 100 N -0.90 3.06 3.34 -0.60 2.56 -1.26 -4.72 118.70 120.18 1av5 s GLU 100 Ca 0.13 -0.80 0.00 0.00 0.00 0.00 0.00 54.97 54.30 1av5 s GLU 100 Cb -0.11 -2.63 0.00 0.00 2.00 0.00 0.00 34.13 33.39 1av5 s GLU 100 CO 0.02 -0.18 0.00 0.41 -0.56 0.00 0.00 175.26 174.95 1av5 n GLY 101 N 4.58 1.00 0.31 -1.50 0.00 -1.26 -2.77 105.19 105.55 1av5 n GLY 101 Ca -0.20 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 1av5 n GLY 101 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1av5 h SER 102 N 6.98 -0.62 -1.00 1.61 4.64 -1.96 -1.24 113.55 121.96 1av5 h SER 102 Ca 0.00 -0.03 0.07 0.00 -0.47 0.00 0.00 61.79 61.36 1av5 h SER 102 Cb 0.00 0.16 -0.07 0.00 -0.31 0.00 0.00 62.40 62.18 1av5 h SER 102 CO 0.00 -0.22 0.64 0.44 -0.87 0.00 0.00 176.83 176.82 1av5 h ASP 103 N -1.11 1.01 1.03 4.97 5.19 -2.00 0.46 116.42 125.96 1av5 h ASP 103 Ca -0.07 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1av5 h ASP 103 Cb 0.61 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.92 1av5 h ASP 103 CO 0.12 0.63 0.00 1.23 -3.12 0.00 0.00 179.24 178.10 1av5 h GLY 104 N 1.14 0.00 0.00 2.75 0.00 -1.55 -3.48 103.07 101.93 1av5 h GLY 104 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1av5 h GLY 104 CO -0.19 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.96 1av5 n GLY 105 N 0.08 0.58 3.69 4.60 0.00 0.15 -4.61 105.19 109.69 1av5 n GLY 105 Ca 0.01 -0.72 -0.44 0.00 0.00 0.00 0.00 46.02 44.87 1av5 n GLY 105 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1av5 n GLN 106 N -2.68 2.57 -0.06 1.61 7.27 -0.54 -4.90 117.38 120.65 1av5 n GLN 106 Ca 0.00 0.93 -0.13 0.00 0.07 0.00 0.00 57.00 57.87 1av5 n GLN 106 Cb 0.00 -2.78 -0.14 0.00 2.41 0.00 0.00 30.24 29.73 1av5 n GLN 106 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1av5 n SER 107 N 4.67 0.97 -4.09 1.69 7.64 -1.26 -4.88 113.62 118.36 1av5 n SER 107 Ca 0.18 0.14 -0.27 0.00 1.01 0.00 0.00 58.87 59.93 1av5 n SER 107 Cb 0.34 0.11 -0.17 0.00 -1.01 0.00 0.00 64.21 63.48 1av5 n SER 107 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1av5 s VAL 108 N -2.54 1.47 -1.38 0.44 1.01 -1.26 -5.06 120.40 113.07 1av5 s VAL 108 Ca -0.15 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 1av5 s VAL 108 Cb 0.07 -1.31 0.09 0.00 0.00 0.00 0.00 36.38 35.24 1av5 s VAL 108 CO 0.78 0.43 2.13 -1.22 0.00 0.00 0.00 175.10 177.21 1av5 n TYR 109 N 3.74 3.13 -3.65 5.22 4.02 -1.26 -4.59 117.16 123.77 1av5 n TYR 109 Ca -0.21 -2.89 -0.01 0.00 -0.01 0.00 0.00 57.90 54.77 1av5 n TYR 109 Cb 0.52 -2.23 -0.04 0.00 -0.02 0.00 0.00 39.34 37.57 1av5 n TYR 109 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1av5 s HIS 110 N 1.58 -1.32 0.65 -0.72 2.46 -0.08 -4.40 115.29 113.47 1av5 s HIS 110 Ca 0.45 2.29 -0.18 0.00 0.47 0.00 0.00 55.06 58.09 1av5 s HIS 110 Cb 0.13 0.78 -0.01 0.00 -0.13 0.00 0.00 32.58 33.34 1av5 s HIS 110 CO -0.05 -0.66 1.29 0.54 -2.47 0.00 0.00 174.74 173.40 1av5 s VAL 111 N 2.88 2.04 -0.03 0.89 0.11 0.31 -4.84 120.40 121.77 1av5 s VAL 111 Ca -0.06 0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 58.73 1av5 s VAL 111 Cb -0.12 -3.00 0.10 0.00 -1.53 0.00 0.00 36.38 31.83 1av5 s VAL 111 CO -0.19 -0.01 0.86 -1.38 -3.33 0.00 0.00 175.10 171.05 1av5 s HIS 112 N -1.41 -0.41 -0.12 1.54 -3.43 -1.26 -4.37 115.29 105.82 1av5 s HIS 112 Ca 0.82 0.44 -0.02 0.00 -0.80 0.00 0.00 55.06 55.50 1av5 s HIS 112 Cb -0.37 0.50 -0.03 0.00 -1.43 0.00 0.00 32.58 31.25 1av5 s HIS 112 CO 0.40 -0.54 -0.04 -1.17 -2.00 0.00 0.00 174.74 171.39 1av5 s LEU 113 N -2.02 3.27 -0.13 5.38 2.96 -0.56 -4.53 118.68 123.05 1av5 s LEU 113 Ca 0.01 -0.06 -0.06 0.00 -0.22 0.00 0.00 54.13 53.80 1av5 s LEU 113 Cb -0.01 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1av5 s LEU 113 CO -0.05 0.25 0.08 -1.00 -1.32 0.00 0.00 176.35 174.31 1av5 s HIS 114 N -0.12 3.38 -0.10 5.38 3.76 -0.47 -0.12 115.29 127.00 1av5 s HIS 114 Ca 0.02 0.31 -0.00 0.00 -0.15 0.00 0.00 55.06 55.24 1av5 s HIS 114 Cb -0.13 -1.94 0.02 0.00 1.11 0.00 0.00 32.58 31.64 1av5 s HIS 114 CO 0.03 0.50 -0.06 0.08 -0.85 0.00 0.00 174.74 174.43 1av5 s VAL 115 N -0.57 0.86 -0.05 -0.90 1.01 -0.40 -1.33 120.40 119.01 1av5 s VAL 115 Ca 0.11 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.93 1av5 s VAL 115 Cb -0.12 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1av5 s VAL 115 CO 0.02 0.34 -0.15 -0.76 0.00 0.00 0.00 175.10 174.54 1av5 s LEU 116 N 1.68 1.84 0.00 3.92 1.02 -0.36 -1.21 118.68 125.57 1av5 s LEU 116 Ca 0.03 -0.34 -0.02 0.00 0.02 0.00 0.00 54.13 53.82 1av5 s LEU 116 Cb -0.13 -0.92 0.01 0.00 0.02 0.00 0.00 46.19 45.17 1av5 s LEU 116 CO -0.07 0.11 0.26 0.61 0.02 0.00 0.00 176.35 177.28 1av5 n GLY 117 N 3.38 2.39 1.01 -3.19 0.00 0.49 -0.48 105.19 108.79 1av5 n GLY 117 Ca -0.20 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1av5 n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1av5 n GLY 118 N -0.26 0.73 3.78 -0.02 0.00 -1.26 -1.67 105.19 106.49 1av5 n GLY 118 Ca -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 1av5 n GLY 118 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1av5 s ARG 119 N -0.63 0.74 0.04 1.61 1.70 -1.26 -4.55 118.95 116.60 1av5 s ARG 119 Ca 0.00 -0.44 -0.30 0.00 -0.47 0.00 0.00 55.73 54.51 1av5 s ARG 119 Cb 0.00 0.23 -0.05 0.00 -0.57 0.00 0.00 34.95 34.56 1av5 s ARG 119 CO 0.00 -0.34 1.18 -0.65 -1.08 0.00 0.00 175.30 174.41 1av5 s GLN 120 N -2.45 4.43 0.17 3.89 -1.52 -1.26 -4.98 119.66 117.93 1av5 s GLN 120 Ca 0.19 1.73 -0.11 0.00 -1.95 0.00 0.00 55.36 55.21 1av5 s GLN 120 Cb 0.01 -3.39 -0.07 0.00 -0.22 0.00 0.00 33.01 29.34 1av5 s GLN 120 CO -0.00 -0.27 0.52 -1.64 -0.25 0.00 0.00 175.29 173.65 1av5 s MET 121 N 1.23 3.86 0.33 2.91 -1.94 -1.26 -5.08 119.30 119.35 1av5 s MET 121 Ca 0.58 0.33 0.08 0.00 -1.71 0.00 0.00 55.69 54.97 1av5 s MET 121 Cb -0.28 -2.82 -0.04 0.00 2.01 0.00 0.00 34.83 33.69 1av5 s MET 121 CO 0.28 0.43 0.13 -1.01 -0.01 0.00 0.00 175.02 174.84 1av5 s HIS 122 N -1.60 2.71 -0.10 -0.03 0.09 -1.26 -5.13 115.29 109.97 1av5 s HIS 122 Ca 0.41 -0.37 0.04 0.00 -0.00 0.00 0.00 55.06 55.14 1av5 s HIS 122 Cb -0.13 -1.61 0.00 0.00 -0.00 0.00 0.00 32.58 30.84 1av5 s HIS 122 CO 0.20 0.36 -0.23 -0.46 -0.00 0.00 0.00 174.74 174.61 1av5 s TRP 123 N -2.42 2.48 0.94 1.40 -0.00 -1.26 -3.60 118.94 116.49 1av5 s TRP 123 Ca 0.37 -1.01 -0.11 0.00 -0.00 0.00 0.00 56.10 55.35 1av5 s TRP 123 Cb -0.03 -1.67 0.15 0.00 -0.00 0.00 0.00 33.47 31.93 1av5 s TRP 123 CO 0.22 -0.41 1.10 -1.25 -0.00 0.00 0.00 176.95 176.62 1av5 s PRO 124 N 0.36 0.89 -0.05 5.86 0.04 -1.26 -5.05 135.00 135.78 1av5 s PRO 124 Ca -0.19 1.21 -0.05 0.00 0.04 0.00 0.00 61.00 62.01 1av5 s PRO 124 Cb -0.18 -1.74 -0.18 0.00 0.04 0.00 0.00 34.50 32.44 1av5 s PRO 124 CO 0.09 -2.61 3.26 -0.35 0.04 0.00 0.00 177.00 177.43 1av5 n PRO 125 N -4.18 1.89 0.00 0.56 -0.04 -1.24 -5.18 135.00 126.81 1av5 n PRO 125 Ca 0.09 -1.01 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 1av5 n PRO 125 Cb 0.53 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 1av5 n PRO 125 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87