#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1klv h GLU 19 N 0.00 0.00 0.00 1.61 4.39 -2.03 -0.51 114.58 118.04 1klv h GLU 19 Ca 0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 1klv h GLU 19 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1klv h GLU 19 CO 0.00 0.00 -0.61 0.87 -1.16 0.00 0.00 179.01 178.11 1klv h LYS 20 N 0.00 0.00 0.00 2.33 1.79 -2.03 -2.96 116.57 115.70 1klv h LYS 20 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1klv h LYS 20 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1klv h LYS 20 CO -0.00 0.61 0.01 0.82 -1.08 0.00 0.00 179.45 179.81 1klv h ILE 21 N 0.00 0.00 0.02 1.86 5.03 -1.46 -2.50 117.51 120.46 1klv h ILE 21 Ca -0.01 0.00 -0.26 0.00 -0.12 0.00 0.00 64.86 64.47 1klv h ILE 21 Cb 1.17 0.92 -0.03 0.00 -3.03 0.00 0.00 36.82 35.85 1klv h ILE 21 CO 0.08 0.00 -1.42 0.54 -0.68 0.00 0.00 178.15 176.67 1klv n ARG 22 N -2.97 0.60 -0.30 2.37 5.12 -1.12 -0.77 116.66 119.59 1klv n ARG 22 Ca -0.03 0.52 0.10 0.00 -1.93 0.00 0.00 57.85 56.51 1klv n ARG 22 Cb 0.07 -1.74 0.27 0.00 -1.16 0.00 0.00 32.46 29.90 1klv n ARG 22 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1klv h LYS 23 N -0.81 0.45 0.02 5.56 1.79 -1.49 0.96 116.57 123.04 1klv h LYS 23 Ca -0.37 -0.03 -0.16 0.00 -2.18 0.00 0.00 60.65 57.92 1klv h LYS 23 Cb 1.44 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.97 1klv h LYS 23 CO -0.16 0.30 -0.84 0.87 -1.08 0.00 0.00 179.45 178.53 1klv h LYS 24 N 0.46 0.04 -2.32 3.15 1.57 -1.61 -3.40 116.57 114.46 1klv h LYS 24 Ca 0.51 -0.07 -0.65 0.00 -1.87 0.00 0.00 60.65 58.57 1klv h LYS 24 Cb 0.89 0.03 -0.38 0.00 0.08 0.00 0.00 32.23 32.85 1klv h LYS 24 CO -0.47 1.03 -0.21 0.66 -0.57 0.00 0.00 179.45 179.89 1klv n TYR 25 N -4.41 3.54 0.27 -1.35 4.01 0.05 -4.81 117.16 114.46 1klv n TYR 25 Ca -0.23 -3.67 0.16 0.00 -0.16 0.00 0.00 57.90 54.00 1klv n TYR 25 Cb 0.65 -0.70 0.64 0.00 -0.31 0.00 0.00 39.34 39.61 1klv n TYR 25 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1klv h PRO 26 N 3.81 0.00 -0.29 -0.72 0.13 0.82 -2.79 132.00 132.96 1klv h PRO 26 Ca 0.22 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.30 1klv h PRO 26 Cb 0.53 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.64 1klv h PRO 26 CO 0.94 0.05 -0.00 -3.47 -0.23 0.00 0.00 178.00 175.29 1klv n ASP 27 N -3.17 3.56 -1.62 1.44 2.03 -1.26 -5.00 116.55 112.54 1klv n ASP 27 Ca 0.00 -3.19 0.00 0.00 0.52 0.00 0.00 54.79 52.13 1klv n ASP 27 Cb 0.33 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.16 1klv n ASP 27 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1klv n ARG 28 N -0.67 1.56 -3.49 -0.67 3.00 -1.05 -3.42 116.66 111.93 1klv n ARG 28 Ca 0.24 0.00 -0.17 0.00 -0.01 0.00 0.00 57.85 57.91 1klv n ARG 28 Cb 0.93 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 33.27 1klv n ARG 28 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1klv s VAL 29 N 0.87 -0.36 -1.00 1.55 1.01 0.22 -4.54 120.40 118.15 1klv s VAL 29 Ca 0.00 -0.09 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 1klv s VAL 29 Cb 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 1klv s VAL 29 CO 0.00 -0.18 1.79 -2.16 0.00 0.00 0.00 175.10 174.55 1klv s PRO 30 N 2.36 2.95 0.17 2.72 0.04 -1.26 -2.43 135.00 139.54 1klv s PRO 30 Ca 0.07 -0.78 -0.17 0.00 0.04 0.00 0.00 61.00 60.16 1klv s PRO 30 Cb -0.15 -5.21 -0.07 0.00 0.04 0.00 0.00 34.50 29.10 1klv s PRO 30 CO -0.12 -3.05 0.63 0.14 0.04 0.00 0.00 177.00 174.64 1klv s VAL 31 N 8.32 4.71 -0.11 -0.36 -7.23 -0.58 -2.56 120.40 122.59 1klv s VAL 31 Ca 0.62 1.08 -0.02 0.00 -1.81 0.00 0.00 61.98 61.85 1klv s VAL 31 Cb -0.03 -3.81 -0.03 0.00 0.56 0.00 0.00 36.38 33.07 1klv s VAL 31 CO -0.01 0.27 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.38 1klv s ILE 32 N -1.44 3.93 -0.01 -0.62 -1.09 -0.36 -2.09 121.20 119.53 1klv s ILE 32 Ca 0.39 -0.37 0.08 0.00 -2.23 0.00 0.00 60.65 58.52 1klv s ILE 32 Cb -0.16 -2.67 -0.02 0.00 -1.58 0.00 0.00 42.46 38.03 1klv s ILE 32 CO 0.20 0.56 -0.26 0.54 -1.23 0.00 0.00 174.94 174.75 1klv s VAL 33 N -0.34 2.04 0.26 2.92 0.11 -0.72 -1.60 120.40 123.07 1klv s VAL 33 Ca 0.06 -1.15 -0.05 0.00 -2.93 0.00 0.00 61.98 57.91 1klv s VAL 33 Cb -0.12 -1.71 -0.02 0.00 -1.53 0.00 0.00 36.38 33.00 1klv s VAL 33 CO 0.02 0.53 0.33 -0.70 -3.33 0.00 0.00 175.10 171.95 1klv s GLU 34 N -0.73 1.51 0.32 1.54 2.56 -0.83 -4.70 118.70 118.37 1klv s GLU 34 Ca 0.10 -1.56 0.03 0.00 0.00 0.00 0.00 54.97 53.54 1klv s GLU 34 Cb -0.10 0.38 -0.02 0.00 2.00 0.00 0.00 34.13 36.38 1klv s GLU 34 CO -0.00 -0.58 0.48 0.21 -0.56 0.00 0.00 175.26 174.80 1klv s LYS 35 N -3.83 3.35 0.44 4.30 2.47 -1.26 -2.25 119.74 122.97 1klv s LYS 35 Ca 0.32 -0.64 -0.07 0.00 -1.56 0.00 0.00 55.97 54.01 1klv s LYS 35 Cb 0.03 -2.77 0.11 0.00 -1.46 0.00 0.00 37.83 33.74 1klv s LYS 35 CO 0.14 0.19 0.32 0.00 0.16 0.00 0.00 175.35 176.16 1klv n ALA 36 N -1.65 -1.41 -2.24 3.13 0.00 -0.82 -4.78 120.51 112.74 1klv n ALA 36 Ca -0.05 -0.52 -0.43 0.00 0.00 0.00 0.00 53.44 52.44 1klv n ALA 36 Cb 0.57 -0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 1klv n ALA 36 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1klv s PRO 37 N -3.75 3.64 -1.32 0.00 0.04 -1.26 -3.19 135.00 129.16 1klv s PRO 37 Ca 0.23 1.26 -0.06 0.00 0.04 0.00 0.00 61.00 62.46 1klv s PRO 37 Cb -0.03 -4.03 0.01 0.00 0.04 0.00 0.00 34.50 30.49 1klv s PRO 37 CO 0.18 -1.47 1.12 1.63 0.04 0.00 0.00 177.00 178.50 1klv n LYS 38 N 7.91 -7.48 -0.75 4.56 4.01 -1.26 -4.97 118.16 120.17 1klv n LYS 38 Ca 0.18 0.82 -0.31 0.00 -0.51 0.00 0.00 58.31 58.50 1klv n LYS 38 Cb 0.47 -5.86 0.27 0.00 -0.51 0.00 0.00 35.03 29.40 1klv n LYS 38 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1klv s ALA 39 N -3.34 -0.03 -0.13 7.82 0.00 -1.19 -5.01 121.76 119.88 1klv s ALA 39 Ca 0.41 -0.97 0.15 0.00 0.00 0.00 0.00 51.96 51.55 1klv s ALA 39 Cb -0.18 -2.88 0.31 0.00 0.00 0.00 0.00 23.12 20.38 1klv s ALA 39 CO 0.73 -4.15 1.19 2.89 0.00 0.00 0.00 175.76 176.43 1klv n ARG 40 N -5.24 0.65 -2.25 0.00 1.85 -1.26 -5.03 116.66 105.38 1klv n ARG 40 Ca 0.14 -1.84 -0.27 0.00 -1.00 0.00 0.00 57.85 54.88 1klv n ARG 40 Cb 0.60 -0.09 0.14 0.00 -1.05 0.00 0.00 32.46 32.07 1klv n ARG 40 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 1klv s ILE 41 N -0.75 2.07 0.50 8.89 -5.25 -1.26 -5.00 121.20 120.40 1klv s ILE 41 Ca 0.17 -0.29 -0.07 0.00 -0.99 0.00 0.00 60.65 59.47 1klv s ILE 41 Cb 0.27 -2.78 0.11 0.00 2.95 0.00 0.00 42.46 43.01 1klv s ILE 41 CO -0.08 0.00 0.24 0.61 -1.79 0.00 0.00 174.94 173.92 1klv n GLY 42 N -3.29 -2.35 2.29 6.27 0.00 -0.80 -4.99 105.19 102.32 1klv n GLY 42 Ca 0.15 -0.77 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 1klv n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1klv n ASP 43 N -2.10 0.16 -3.82 1.61 2.03 -1.26 -4.84 116.55 108.33 1klv n ASP 43 Ca 0.04 -1.34 -0.13 0.00 0.52 0.00 0.00 54.79 53.88 1klv n ASP 43 Cb 0.17 -0.57 -0.15 0.00 -0.72 0.00 0.00 41.12 39.84 1klv n ASP 43 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1klv s LEU 44 N 0.00 1.55 0.09 -2.67 2.01 -1.25 -4.06 118.68 114.34 1klv s LEU 44 Ca 0.44 0.03 0.14 0.00 0.01 0.00 0.00 54.13 54.75 1klv s LEU 44 Cb -0.01 -0.01 -0.13 0.00 0.01 0.00 0.00 46.19 46.04 1klv s LEU 44 CO 0.31 -0.06 0.99 -2.24 1.01 0.00 0.00 176.35 176.35 1klv h ASP 45 N 6.68 0.00 -5.04 2.29 3.04 -1.97 -3.47 116.42 117.94 1klv h ASP 45 Ca -0.34 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.37 1klv h ASP 45 Cb 1.17 0.00 -0.16 0.00 -1.04 0.00 0.00 39.33 39.30 1klv h ASP 45 CO 0.49 0.73 -0.10 -0.54 -2.04 0.00 0.00 179.24 177.79 1klv s LYS 46 N -2.82 0.94 -0.32 4.15 3.01 -1.26 -5.07 119.74 118.38 1klv s LYS 46 Ca -0.01 -0.42 0.10 0.00 -1.01 0.00 0.00 55.97 54.62 1klv s LYS 46 Cb 0.08 0.42 0.46 0.00 -1.01 0.00 0.00 37.83 37.78 1klv s LYS 46 CO 0.80 -0.33 1.14 0.36 0.51 0.00 0.00 175.35 177.83 1klv n LYS 47 N 0.38 3.12 -3.16 1.68 0.00 -1.26 -4.97 118.16 113.95 1klv n LYS 47 Ca -0.18 -4.09 0.03 0.00 -0.00 0.00 0.00 58.31 54.07 1klv n LYS 47 Cb 0.60 -2.10 -0.01 0.00 -0.00 0.00 0.00 35.03 33.52 1klv n LYS 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1klv s LYS 48 N -3.59 0.56 -0.06 -1.58 -2.85 -1.26 -1.75 119.74 109.21 1klv s LYS 48 Ca 0.45 0.95 -0.01 0.00 -1.00 0.00 0.00 55.97 56.36 1klv s LYS 48 Cb 0.40 0.48 -0.03 0.00 -2.06 0.00 0.00 37.83 36.61 1klv s LYS 48 CO -0.03 -0.65 0.02 0.71 0.10 0.00 0.00 175.35 175.50 1klv s TYR 49 N 2.84 3.18 -0.62 1.78 1.51 -0.89 -4.97 117.35 120.18 1klv s TYR 49 Ca 0.20 0.19 -0.08 0.00 -1.01 0.00 0.00 57.07 56.36 1klv s TYR 49 Cb -0.15 -1.76 0.16 0.00 -0.11 0.00 0.00 41.96 40.10 1klv s TYR 49 CO -0.21 0.49 0.49 -0.51 -1.11 0.00 0.00 175.55 174.70 1klv s LEU 50 N -1.15 5.82 0.15 -1.29 1.02 -1.26 -1.53 118.68 120.43 1klv s LEU 50 Ca 0.16 -2.46 0.08 0.00 0.02 0.00 0.00 54.13 51.93 1klv s LEU 50 Cb -0.11 -2.01 -0.04 0.00 0.02 0.00 0.00 46.19 44.05 1klv s LEU 50 CO 0.06 -0.55 -0.08 0.68 0.02 0.00 0.00 176.35 176.48 1klv s VAL 51 N 0.53 3.35 0.43 -1.59 -7.23 -1.02 -4.82 120.40 110.06 1klv s VAL 51 Ca 0.13 -1.45 -0.24 0.00 -1.81 0.00 0.00 61.98 58.61 1klv s VAL 51 Cb -0.20 -2.62 -0.08 0.00 0.56 0.00 0.00 36.38 34.04 1klv s VAL 51 CO -0.04 -0.01 1.16 -2.16 -0.31 0.00 0.00 175.10 173.74 1klv s PRO 52 N -2.57 3.90 0.12 4.82 0.04 -1.26 0.72 135.00 140.77 1klv s PRO 52 Ca 0.24 1.77 0.11 0.00 0.04 0.00 0.00 61.00 63.16 1klv s PRO 52 Cb -0.10 -2.52 0.55 0.00 0.04 0.00 0.00 34.50 32.47 1klv s PRO 52 CO 0.15 -0.43 1.35 0.43 0.04 0.00 0.00 177.00 178.54 1klv n SER 53 N -0.25 0.23 0.07 6.66 7.64 -1.22 -1.64 113.62 125.12 1klv n SER 53 Ca 0.06 0.59 0.12 0.00 1.01 0.00 0.00 58.87 60.66 1klv n SER 53 Cb 0.48 -0.63 0.26 0.00 -1.01 0.00 0.00 64.21 63.31 1klv n SER 53 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1klv n ASP 54 N -1.80 0.71 -4.77 6.43 2.03 -1.26 -0.68 116.55 117.22 1klv n ASP 54 Ca 0.00 0.26 -0.40 0.00 0.52 0.00 0.00 54.79 55.18 1klv n ASP 54 Cb 0.07 -0.17 0.01 0.00 -0.72 0.00 0.00 41.12 40.31 1klv n ASP 54 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1klv s LEU 55 N -4.25 4.17 0.46 -2.67 1.43 -0.65 -4.84 118.68 112.33 1klv s LEU 55 Ca 0.08 2.85 -0.02 0.00 -1.03 0.00 0.00 54.13 56.02 1klv s LEU 55 Cb 0.13 -3.89 -0.01 0.00 0.03 0.00 0.00 46.19 42.45 1klv s LEU 55 CO 0.67 -1.04 0.71 0.42 0.23 0.00 0.00 176.35 177.34 1klv s THR 56 N -1.21 4.36 0.59 5.49 -4.23 -1.26 -0.51 115.64 118.86 1klv s THR 56 Ca 0.59 -0.26 0.29 0.00 -1.18 0.00 0.00 61.69 61.12 1klv s THR 56 Cb -0.42 -3.63 0.35 0.00 1.34 0.00 0.00 72.50 70.14 1klv s THR 56 CO 0.55 -0.51 2.18 0.58 -0.54 0.00 0.00 174.62 176.87 1klv h VAL 57 N 0.34 0.52 -0.60 2.29 2.07 -1.51 -1.09 116.25 118.28 1klv h VAL 57 Ca -0.47 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.95 1klv h VAL 57 Cb 1.24 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1klv h VAL 57 CO 0.60 0.00 -0.03 1.23 0.02 0.00 0.00 177.57 179.39 1klv h GLY 58 N 0.00 1.16 0.71 2.17 0.00 -1.86 -1.26 103.07 103.99 1klv h GLY 58 Ca 0.04 -0.87 -0.02 0.00 0.00 0.00 0.00 47.33 46.48 1klv h GLY 58 CO -0.00 0.80 -0.03 1.46 0.00 0.00 0.00 176.54 178.77 1klv h GLN 59 N 0.97 0.21 -0.24 4.80 4.20 -1.58 -2.75 115.11 120.72 1klv h GLN 59 Ca 0.17 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 1klv h GLN 59 Cb 0.59 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1klv h GLN 59 CO 0.04 0.53 0.15 0.35 -0.67 0.00 0.00 178.83 179.22 1klv h PHE 60 N -0.13 0.31 -0.82 2.96 3.57 -1.45 -0.75 116.94 120.63 1klv h PHE 60 Ca 0.03 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.65 1klv h PHE 60 Cb 0.46 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.03 1klv h PHE 60 CO 0.06 0.21 0.54 -0.92 -2.23 0.00 0.00 178.31 175.96 1klv h TYR 61 N 0.33 0.77 0.00 0.41 5.03 -0.92 -2.78 116.97 119.81 1klv h TYR 61 Ca 0.09 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.42 1klv h TYR 61 Cb -0.02 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.02 1klv h TYR 61 CO 0.00 0.33 -0.00 0.35 -1.32 0.00 0.00 178.16 177.52 1klv h PHE 62 N 0.69 0.00 -0.98 -3.82 3.57 -1.05 -2.62 116.94 112.73 1klv h PHE 62 Ca 0.39 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.93 1klv h PHE 62 Cb 0.57 -0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.25 1klv h PHE 62 CO -0.00 0.94 0.64 1.37 -2.23 0.00 0.00 178.31 179.02 1klv h LEU 63 N -0.93 1.06 -0.03 0.59 8.10 -1.36 -2.40 115.31 120.33 1klv h LEU 63 Ca -0.00 -0.01 -0.19 0.00 0.11 0.00 0.00 57.88 57.79 1klv h LEU 63 Cb 0.94 -0.24 0.01 0.00 -0.44 0.00 0.00 40.66 40.94 1klv h LEU 63 CO 0.00 0.71 -0.73 0.40 -4.11 0.00 0.00 178.44 174.72 1klv h ILE 64 N 1.22 1.36 -0.99 0.15 2.04 -1.64 -3.09 117.51 116.56 1klv h ILE 64 Ca 0.40 -2.07 0.15 0.00 1.00 0.00 0.00 64.86 64.33 1klv h ILE 64 Cb 0.03 2.41 -0.15 0.00 -0.74 0.00 0.00 36.82 38.36 1klv h ILE 64 CO -0.13 0.62 -0.41 0.54 0.00 0.00 0.00 178.15 178.77 1klv n ARG 65 N -4.09 -0.26 -0.07 2.37 1.74 -0.94 0.10 116.66 115.52 1klv n ARG 65 Ca -0.10 1.52 -0.02 0.00 -0.77 0.00 0.00 57.85 58.48 1klv n ARG 65 Cb 0.73 -2.26 0.23 0.00 -1.02 0.00 0.00 32.46 30.14 1klv n ARG 65 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1klv h LYS 66 N 0.00 0.68 0.00 5.56 1.57 -1.53 -0.70 116.57 122.15 1klv h LYS 66 Ca 0.32 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1klv h LYS 66 Cb 0.57 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1klv h LYS 66 CO -0.98 0.68 0.00 0.54 -0.57 0.00 0.00 179.45 179.12 1klv n ARG 67 N -4.26 0.18 -0.11 3.15 5.12 0.29 -1.54 116.66 119.50 1klv n ARG 67 Ca 0.02 0.42 0.11 0.00 -1.93 0.00 0.00 57.85 56.47 1klv n ARG 67 Cb 0.26 -1.85 0.32 0.00 -1.16 0.00 0.00 32.46 30.02 1klv n ARG 67 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1klv n ILE 68 N -2.20 0.28 -2.98 0.55 2.08 0.91 -3.95 119.36 114.05 1klv n ILE 68 Ca 0.02 -0.47 -0.20 0.00 0.56 0.00 0.00 62.75 62.66 1klv n ILE 68 Cb 0.22 0.61 0.01 0.00 -0.75 0.00 0.00 39.64 39.73 1klv n ILE 68 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 1klv n HIS 69 N 0.72 -1.70 -4.07 1.39 -0.00 -0.59 -1.90 115.22 109.06 1klv n HIS 69 Ca 0.17 0.34 -0.25 0.00 0.46 0.00 0.00 57.72 58.44 1klv n HIS 69 Cb 0.43 -3.38 -0.05 0.00 -0.12 0.00 0.00 29.99 26.87 1klv n HIS 69 CO 0.00 0.00 0.00 -0.48 0.46 0.00 0.00 176.34 176.32 1klv s LEU 70 N -6.30 3.88 0.00 0.27 0.05 -1.21 -4.71 118.68 110.66 1klv s LEU 70 Ca 0.25 -0.13 0.00 0.00 0.05 0.00 0.00 54.13 54.30 1klv s LEU 70 Cb -0.12 -2.46 0.00 0.00 -2.05 0.00 0.00 46.19 41.56 1klv s LEU 70 CO 0.31 0.03 0.00 -2.11 -0.55 0.00 0.00 176.35 174.03 1klv n ARG 71 N -0.64 0.00 0.00 1.48 1.85 -1.26 -4.75 116.66 113.34 1klv n ARG 71 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 1klv n ARG 71 Cb 0.56 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.97 1klv n ARG 71 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1klv n ALA 72 N -3.00 0.00 -2.08 2.89 0.00 -1.26 -1.70 120.51 115.37 1klv n ALA 72 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1klv n ALA 72 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1klv n ALA 72 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1klv n GLU 73 N 0.00 0.00 -0.60 0.00 0.28 -1.26 -5.13 120.64 113.93 1klv n GLU 73 Ca 0.00 -0.79 -0.19 0.00 -0.16 0.00 0.00 57.16 56.01 1klv n GLU 73 Cb 0.00 0.00 0.13 0.00 1.43 0.00 0.00 31.44 33.00 1klv n GLU 73 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1klv n ASP 74 N 0.08 -2.82 -4.74 -1.84 -0.08 -0.69 -4.95 116.55 101.51 1klv n ASP 74 Ca -0.06 -0.29 -0.35 0.00 -1.51 0.00 0.00 54.79 52.59 1klv n ASP 74 Cb 0.70 -0.74 -0.08 0.00 2.34 0.00 0.00 41.12 43.33 1klv n ASP 74 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1klv s ALA 75 N -2.08 3.46 0.02 -1.67 0.00 -1.26 -4.99 121.76 115.23 1klv s ALA 75 Ca 0.35 -0.79 -0.21 0.00 0.00 0.00 0.00 51.96 51.30 1klv s ALA 75 Cb -0.05 -1.59 0.05 0.00 0.00 0.00 0.00 23.12 21.53 1klv s ALA 75 CO 0.36 0.62 0.48 -1.17 0.00 0.00 0.00 175.76 176.05 1klv s LEU 76 N -1.09 0.13 -0.28 0.00 2.96 -1.25 -4.26 118.68 114.89 1klv s LEU 76 Ca 0.16 0.20 -0.10 0.00 -0.22 0.00 0.00 54.13 54.16 1klv s LEU 76 Cb -0.12 1.93 0.12 0.00 0.50 0.00 0.00 46.19 48.62 1klv s LEU 76 CO 0.05 -0.64 0.61 -0.36 -1.32 0.00 0.00 176.35 174.69 1klv s PHE 77 N -2.05 -1.21 -0.22 5.38 0.08 0.26 -4.91 117.98 115.31 1klv s PHE 77 Ca -0.08 2.15 -0.18 0.00 0.12 0.00 0.00 56.93 58.95 1klv s PHE 77 Cb -0.01 0.69 -0.03 0.00 -0.57 0.00 0.00 43.02 43.10 1klv s PHE 77 CO 0.01 -0.62 0.50 -0.06 -0.10 0.00 0.00 175.22 174.96 1klv s PHE 78 N 2.70 3.34 -0.07 0.36 0.08 -1.26 -1.75 117.98 121.37 1klv s PHE 78 Ca -0.06 0.71 0.03 0.00 0.12 0.00 0.00 56.93 57.73 1klv s PHE 78 Cb -0.11 -2.67 -0.02 0.00 -0.57 0.00 0.00 43.02 39.65 1klv s PHE 78 CO -0.18 -0.15 -0.16 -0.06 -0.10 0.00 0.00 175.22 174.57 1klv s PHE 79 N 1.80 2.66 -0.17 0.36 0.40 -0.42 -4.80 117.98 117.82 1klv s PHE 79 Ca 0.22 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 56.18 1klv s PHE 79 Cb -0.15 -1.67 0.02 0.00 0.51 0.00 0.00 43.02 41.72 1klv s PHE 79 CO 0.09 0.01 -0.20 0.08 0.70 0.00 0.00 175.22 175.90 1klv s VAL 80 N -0.36 2.08 -1.42 -0.44 1.01 -0.68 -1.69 120.40 118.89 1klv s VAL 80 Ca 0.03 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 1klv s VAL 80 Cb -0.12 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.42 1klv s VAL 80 CO 0.02 0.54 0.52 0.59 0.00 0.00 0.00 175.10 176.78 1klv n ASN 81 N 4.42 -0.94 -2.08 3.32 5.03 -1.23 -0.18 115.26 123.60 1klv n ASN 81 Ca -0.21 -0.97 -0.19 0.00 0.87 0.00 0.00 54.58 54.09 1klv n ASN 81 Cb 0.51 -3.23 -0.01 0.00 -1.02 0.00 0.00 39.78 36.02 1klv n ASN 81 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1klv n ASN 82 N -2.96 -5.39 -4.47 6.41 2.85 -1.26 -4.99 115.26 105.45 1klv n ASN 82 Ca -0.26 0.01 -0.22 0.00 -0.11 0.00 0.00 54.58 54.00 1klv n ASN 82 Cb 0.66 -4.45 -0.11 0.00 1.24 0.00 0.00 39.78 37.13 1klv n ASN 82 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1klv s VAL 83 N -2.92 1.44 -0.46 3.44 1.01 0.74 -5.10 120.40 118.56 1klv s VAL 83 Ca 0.00 -2.03 0.07 0.00 0.00 0.00 0.00 61.98 60.02 1klv s VAL 83 Cb 0.00 -2.73 0.26 0.00 0.00 0.00 0.00 36.38 33.90 1klv s VAL 83 CO 0.00 -0.08 0.83 -0.38 0.00 0.00 0.00 175.10 175.47 1klv n ILE 84 N -0.70 -0.16 -1.49 2.22 -0.00 -1.26 -1.69 119.36 116.27 1klv n ILE 84 Ca -0.04 -2.20 -0.29 0.00 -0.00 0.00 0.00 62.75 60.22 1klv n ILE 84 Cb 0.66 0.65 0.13 0.00 -0.00 0.00 0.00 39.64 41.08 1klv n ILE 84 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1klv s PRO 85 N 0.08 1.36 1.15 0.38 0.04 -1.26 -5.05 135.00 131.70 1klv s PRO 85 Ca 0.32 0.45 -0.19 0.00 0.04 0.00 0.00 61.00 61.61 1klv s PRO 85 Cb 0.23 -1.85 0.28 0.00 0.04 0.00 0.00 34.50 33.20 1klv s PRO 85 CO -0.18 -2.08 1.16 -0.35 0.04 0.00 0.00 177.00 175.59 1klv n PRO 86 N -3.71 -2.57 -0.32 0.56 -0.04 -1.26 -4.91 135.00 122.75 1klv n PRO 86 Ca 0.07 -1.84 0.02 0.00 -0.04 0.00 0.00 63.50 61.70 1klv n PRO 86 Cb 0.58 -1.55 0.14 0.00 -0.04 0.00 0.00 33.50 32.62 1klv n PRO 86 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1klv n THR 87 N -4.54 1.01 -0.91 0.52 -2.24 -1.26 -4.25 114.28 102.61 1klv n THR 87 Ca 0.16 -0.50 -0.19 0.00 -2.27 0.00 0.00 64.05 61.25 1klv n THR 87 Cb 0.58 -0.45 0.05 0.00 -2.10 0.00 0.00 70.33 68.41 1klv n THR 87 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1klv n SER 88 N 0.20 6.44 -2.57 3.42 2.88 -1.26 -4.33 113.62 118.40 1klv n SER 88 Ca 0.10 -3.15 -0.12 0.00 -1.33 0.00 0.00 58.87 54.37 1klv n SER 88 Cb 0.60 -1.02 -0.04 0.00 -0.75 0.00 0.00 64.21 63.00 1klv n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1klv n ALA 89 N 0.13 0.04 -2.92 -1.46 0.00 -1.26 -5.05 120.51 109.99 1klv n ALA 89 Ca 0.35 -1.32 -0.11 0.00 0.00 0.00 0.00 53.44 52.36 1klv n ALA 89 Cb 0.62 1.06 -0.13 0.00 0.00 0.00 0.00 19.45 21.01 1klv n ALA 89 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1klv s THR 90 N -2.83 0.05 0.37 0.00 -4.23 -1.26 -1.68 115.64 106.06 1klv s THR 90 Ca 0.25 -0.40 0.19 0.00 -1.18 0.00 0.00 61.69 60.55 1klv s THR 90 Cb 0.00 -0.12 0.36 0.00 1.34 0.00 0.00 72.50 74.08 1klv s THR 90 CO 0.18 -0.22 1.65 0.24 -0.54 0.00 0.00 174.62 175.93 1klv h MET 91 N 5.49 0.23 -0.35 3.99 2.86 -0.97 0.36 114.93 126.54 1klv h MET 91 Ca -0.28 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.40 1klv h MET 91 Cb 1.21 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.77 1klv h MET 91 CO 0.47 0.15 0.07 0.78 1.06 0.00 0.00 176.91 179.44 1klv h GLY 92 N 0.24 0.41 1.95 8.32 0.00 -1.07 -0.85 103.07 112.07 1klv h GLY 92 Ca 0.76 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 48.02 1klv h GLY 92 CO -0.57 -0.03 -0.19 0.06 0.00 0.00 0.00 176.54 175.81 1klv h GLN 93 N 0.19 0.06 0.00 4.80 3.07 -0.42 -1.74 115.11 121.07 1klv h GLN 93 Ca 0.17 -0.01 -0.06 0.00 0.09 0.00 0.00 58.65 58.83 1klv h GLN 93 Cb 0.19 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.73 1klv h GLN 93 CO -0.22 0.25 -0.30 1.37 0.09 0.00 0.00 178.83 180.02 1klv h LEU 94 N 0.06 0.00 -0.24 0.06 8.10 -0.72 -3.11 115.31 119.46 1klv h LEU 94 Ca 0.01 0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.06 1klv h LEU 94 Cb 0.38 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.52 1klv h LEU 94 CO 0.03 0.30 -0.32 0.22 -4.11 0.00 0.00 178.44 174.56 1klv h TYR 95 N 0.00 -0.88 0.00 0.17 3.20 -0.64 0.38 116.97 119.21 1klv h TYR 95 Ca -0.00 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1klv h TYR 95 Cb 0.65 0.42 -0.00 0.00 1.54 0.00 0.00 36.73 39.34 1klv h TYR 95 CO 0.00 -0.39 -0.03 0.37 -1.64 0.00 0.00 178.16 176.48 1klv h GLN 96 N -0.33 0.00 0.00 1.82 4.15 -1.68 -2.61 115.11 116.45 1klv h GLN 96 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1klv h GLN 96 Cb 0.54 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.23 1klv h GLN 96 CO -0.42 0.03 0.00 0.39 -1.93 0.00 0.00 178.83 176.89 1klv n GLU 97 N -3.15 0.00 -1.31 1.69 1.02 0.96 -4.63 120.64 115.22 1klv n GLU 97 Ca -0.00 0.19 -0.31 0.00 -0.02 0.00 0.00 57.16 57.01 1klv n GLU 97 Cb 0.27 -0.61 0.11 0.00 -0.02 0.00 0.00 31.44 31.19 1klv n GLU 97 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1klv n HIS 98 N -1.73 3.15 0.26 -0.32 8.25 0.95 -4.60 115.22 121.18 1klv n HIS 98 Ca 0.00 -2.68 0.18 0.00 -0.26 0.00 0.00 57.72 54.96 1klv n HIS 98 Cb 0.00 -1.28 0.91 0.00 1.12 0.00 0.00 29.99 30.74 1klv n HIS 98 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 1klv h HIS 99 N 1.72 0.00 0.00 4.41 2.07 -1.48 -2.84 115.15 119.03 1klv h HIS 99 Ca 0.61 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.13 1klv h HIS 99 Cb 1.39 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.37 1klv h HIS 99 CO 1.46 0.00 0.00 -1.91 -3.07 0.00 0.00 177.93 174.41 1klv n GLU 100 N -3.53 0.00 -3.03 5.12 2.13 -1.26 -3.41 120.64 116.66 1klv n GLU 100 Ca -0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.77 1klv n GLU 100 Cb 0.26 -2.98 0.00 0.00 0.27 0.00 0.00 31.44 29.00 1klv n GLU 100 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1klv n GLU 101 N -2.00 -1.69 0.00 5.31 -0.58 -1.26 -4.95 120.64 115.47 1klv n GLU 101 Ca 0.00 1.67 0.00 0.00 -0.42 0.00 0.00 57.16 58.41 1klv n GLU 101 Cb 0.00 -5.53 0.00 0.00 -0.57 0.00 0.00 31.44 25.34 1klv n GLU 101 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1klv n ASP 102 N -1.29 0.00 -2.77 1.62 2.03 -1.26 -4.96 116.55 109.92 1klv n ASP 102 Ca 0.02 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.14 1klv n ASP 102 Cb 0.50 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.90 1klv n ASP 102 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1klv n PHE 103 N 0.00 -1.55 -3.59 -0.67 7.35 -1.26 -4.92 117.46 112.82 1klv n PHE 103 Ca 0.00 0.24 -0.01 0.00 -0.76 0.00 0.00 57.45 56.92 1klv n PHE 103 Cb 0.00 -3.60 -0.06 0.00 0.35 0.00 0.00 39.48 36.18 1klv n PHE 103 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1klv s PHE 104 N -2.94 -0.55 0.52 -5.13 0.08 -1.26 -4.89 117.98 103.82 1klv s PHE 104 Ca 0.16 1.06 -0.07 0.00 0.12 0.00 0.00 56.93 58.19 1klv s PHE 104 Cb -0.08 0.33 -0.04 0.00 -0.57 0.00 0.00 43.02 42.66 1klv s PHE 104 CO 0.20 -0.27 0.86 -0.48 -0.10 0.00 0.00 175.22 175.43 1klv s LEU 105 N 1.56 3.51 -0.20 -0.37 0.05 -1.06 -4.24 118.68 117.92 1klv s LEU 105 Ca -0.08 1.10 -0.01 0.00 0.05 0.00 0.00 54.13 55.19 1klv s LEU 105 Cb -0.04 -4.08 0.00 0.00 -2.05 0.00 0.00 46.19 40.02 1klv s LEU 105 CO -0.15 -0.66 -0.12 -0.31 -0.55 0.00 0.00 176.35 174.56 1klv s TYR 106 N -2.87 2.87 -0.02 3.48 1.51 -1.07 -1.22 117.35 120.04 1klv s TYR 106 Ca 0.50 -1.23 -0.02 0.00 -1.01 0.00 0.00 57.07 55.31 1klv s TYR 106 Cb -0.11 -2.01 0.00 0.00 -0.11 0.00 0.00 41.96 39.74 1klv s TYR 106 CO 0.47 -0.64 0.05 0.42 -1.11 0.00 0.00 175.55 174.74 1klv s ILE 107 N 1.33 0.01 0.35 2.71 1.01 -0.63 -3.54 121.20 122.43 1klv s ILE 107 Ca 0.04 -0.06 0.05 0.00 0.00 0.00 0.00 60.65 60.68 1klv s ILE 107 Cb -0.14 -0.10 -0.03 0.00 0.01 0.00 0.00 42.46 42.20 1klv s ILE 107 CO -0.07 -0.03 0.19 0.00 0.00 0.00 0.00 174.94 175.03 1klv s ALA 108 N -0.08 2.26 0.15 9.38 0.00 -0.68 -1.97 121.76 130.83 1klv s ALA 108 Ca -0.01 -1.68 -0.06 0.00 0.00 0.00 0.00 51.96 50.21 1klv s ALA 108 Cb -0.01 1.14 -0.02 0.00 0.00 0.00 0.00 23.12 24.23 1klv s ALA 108 CO 0.00 -0.51 0.20 1.52 0.00 0.00 0.00 175.76 176.97 1klv s TYR 109 N -3.41 0.55 0.38 0.00 1.13 -0.95 -1.30 117.35 113.75 1klv s TYR 109 Ca 0.33 -0.92 -0.14 0.00 -1.41 0.00 0.00 57.07 54.93 1klv s TYR 109 Cb 0.03 -0.21 0.05 0.00 -1.10 0.00 0.00 41.96 40.73 1klv s TYR 109 CO 0.20 -0.64 0.74 0.45 -2.51 0.00 0.00 175.55 173.79 1klv s SER 110 N -2.99 0.15 -0.11 -0.18 0.15 -0.72 -1.94 113.70 108.05 1klv s SER 110 Ca 0.19 -1.19 0.14 0.00 0.70 0.00 0.00 55.95 55.79 1klv s SER 110 Cb 0.05 0.82 0.31 0.00 -1.71 0.00 0.00 66.02 65.49 1klv s SER 110 CO 0.00 -1.63 1.15 -0.90 1.20 0.00 0.00 173.24 173.07 1klv n ASP 111 N -1.40 1.53 -1.48 5.45 5.75 -1.26 -0.57 116.55 124.57 1klv n ASP 111 Ca -0.07 -3.01 0.09 0.00 -0.01 0.00 0.00 54.79 51.79 1klv n ASP 111 Cb 0.60 -0.40 -0.05 0.00 -1.03 0.00 0.00 41.12 40.24 1klv n ASP 111 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1klv n GLU 112 N -0.79 -3.51 0.00 0.11 -0.58 -1.26 -4.69 120.64 109.92 1klv n GLU 112 Ca 0.13 2.80 0.08 0.00 -0.42 0.00 0.00 57.16 59.75 1klv n GLU 112 Cb 0.75 -3.78 -0.05 0.00 -0.57 0.00 0.00 31.44 27.78 1klv n GLU 112 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1klv n SER 113 N -3.50 1.21 -4.89 1.62 3.41 -1.26 -4.98 113.62 105.22 1klv n SER 113 Ca -0.05 -1.10 -0.20 0.00 -0.26 0.00 0.00 58.87 57.25 1klv n SER 113 Cb 0.56 0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 65.25 1klv n SER 113 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1klv s VAL 114 N -2.34 2.74 0.13 -3.33 0.11 -1.26 -5.13 120.40 111.32 1klv s VAL 114 Ca 0.10 -1.30 0.07 0.00 -2.93 0.00 0.00 61.98 57.92 1klv s VAL 114 Cb 0.13 -3.01 -0.04 0.00 -1.53 0.00 0.00 36.38 31.94 1klv s VAL 114 CO 0.58 -0.01 -0.05 -0.47 -3.33 0.00 0.00 175.10 171.82 1klv s TYR 115 N -2.45 2.80 0.33 1.54 5.04 -1.26 -5.12 117.35 118.23 1klv s TYR 115 Ca 0.49 -0.13 -0.18 0.00 -2.44 0.00 0.00 57.07 54.80 1klv s TYR 115 Cb -0.04 -1.42 0.05 0.00 0.35 0.00 0.00 41.96 40.90 1klv s TYR 115 CO 0.29 0.47 0.81 0.20 -1.34 0.00 0.00 175.55 175.98 1klv s GLY 116 N -2.52 0.21 0.00 8.97 0.00 -1.26 -5.26 107.32 107.46 1klv s GLY 116 Ca 0.24 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.40 1klv s GLY 116 CO 0.16 0.06 0.24 1.47 0.00 0.00 0.00 173.10 175.03