#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 0.04 0.00 1.61 4.81 -2.04 -2.16 114.58 116.84 1klv h GLU 19 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1klv h GLU 19 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1klv h GLU 19 CO 0.00 0.03 0.00 -0.22 -0.73 0.00 0.00 179.01 178.09 1klv h LYS 20 N 0.04 0.00 0.00 1.92 1.63 -2.03 -2.96 116.57 115.17 1klv h LYS 20 Ca 0.04 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.78 1klv h LYS 20 Cb 0.03 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 1klv h LYS 20 CO -0.05 0.00 -0.27 0.82 -3.45 0.00 0.00 179.45 176.50 1klv h ILE 21 N 0.00 0.63 0.01 2.00 5.03 -1.79 -2.53 117.51 120.85 1klv h ILE 21 Ca 0.00 -1.26 -0.32 0.00 -0.12 0.00 0.00 64.86 63.17 1klv h ILE 21 Cb 0.82 1.84 -0.05 0.00 -3.03 0.00 0.00 36.82 36.40 1klv h ILE 21 CO 0.00 0.26 -1.74 0.54 -0.68 0.00 0.00 178.15 176.53 1klv n ARG 22 N -3.41 0.59 -0.26 2.37 5.12 -0.99 -1.35 116.66 118.73 1klv n ARG 22 Ca 0.00 0.45 0.12 0.00 -1.93 0.00 0.00 57.85 56.49 1klv n ARG 22 Cb 0.46 -1.66 0.39 0.00 -1.16 0.00 0.00 32.46 30.49 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 -0.92 0.66 0.00 5.56 1.57 -1.61 0.98 116.57 122.82 1klv h LYS 23 Ca -0.47 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.12 1klv h LYS 23 Cb 1.46 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 1klv h LYS 23 CO -0.26 0.43 -0.82 0.87 -0.57 0.00 0.00 179.45 179.11 1klv h LYS 24 N 0.68 0.00 -2.30 3.15 1.79 -1.61 -3.40 116.57 114.88 1klv h LYS 24 Ca 0.44 -0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 58.26 1klv h LYS 24 Cb 0.72 0.00 -0.38 0.00 -1.58 0.00 0.00 32.23 30.99 1klv h LYS 24 CO -0.20 1.00 -0.17 0.66 -1.08 0.00 0.00 179.45 179.66 1klv n TYR 25 N -4.49 3.63 0.13 -1.35 4.01 -0.46 -4.80 117.16 113.83 1klv n TYR 25 Ca -0.24 -3.61 -0.00 0.00 -0.16 0.00 0.00 57.90 53.88 1klv n TYR 25 Cb 0.61 -0.70 0.26 0.00 -0.31 0.00 0.00 39.34 39.20 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 3.52 0.11 -0.53 -0.72 0.13 0.87 -2.81 132.00 132.56 1klv h PRO 26 Ca 0.24 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 65.24 1klv h PRO 26 Cb 0.48 -0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.56 1klv h PRO 26 CO 0.93 0.53 0.08 -3.47 -0.23 0.00 0.00 178.00 175.85 1klv n ASP 27 N -4.01 4.79 -1.17 1.44 -0.08 -1.26 -4.97 116.55 111.29 1klv n ASP 27 Ca -0.02 -3.10 0.00 0.00 -1.51 0.00 0.00 54.79 50.16 1klv n ASP 27 Cb 0.48 -0.67 0.00 0.00 2.34 0.00 0.00 41.12 43.27 1klv n ASP 27 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1klv n ARG 28 N -0.03 1.83 -3.50 -0.67 3.00 -1.06 -3.96 116.66 112.27 1klv n ARG 28 Ca 0.31 0.00 -0.22 0.00 -0.01 0.00 0.00 57.85 57.93 1klv n ARG 28 Cb 1.17 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 33.50 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 1.35 -0.24 -1.07 1.55 1.01 0.90 -4.63 120.40 119.27 1klv s VAL 29 Ca 0.00 -0.41 -0.22 0.00 0.00 0.00 0.00 61.98 61.35 1klv s VAL 29 Cb 0.00 -0.83 0.04 0.00 0.00 0.00 0.00 36.38 35.59 1klv s VAL 29 CO 0.00 -0.44 1.57 -2.16 0.00 0.00 0.00 175.10 174.07 1klv s PRO 30 N 2.25 3.53 0.25 2.72 0.04 -1.26 -2.60 135.00 139.93 1klv s PRO 30 Ca 0.07 -1.21 -0.23 0.00 0.04 0.00 0.00 61.00 59.68 1klv s PRO 30 Cb -0.15 -5.36 -0.09 0.00 0.04 0.00 0.00 34.50 28.94 1klv s PRO 30 CO -0.24 -2.38 0.81 0.14 0.04 0.00 0.00 177.00 175.36 1klv s VAL 31 N 5.51 4.41 0.33 -0.36 -7.23 -0.44 -2.64 120.40 119.98 1klv s VAL 31 Ca 0.51 1.53 0.04 0.00 -1.81 0.00 0.00 61.98 62.24 1klv s VAL 31 Cb 0.00 -3.94 -0.02 0.00 0.56 0.00 0.00 36.38 32.98 1klv s VAL 31 CO -0.05 0.21 0.49 -0.63 -0.31 0.00 0.00 175.10 174.82 1klv s ILE 32 N -1.52 4.61 -0.00 -0.62 -1.09 -0.03 -1.63 121.20 120.92 1klv s ILE 32 Ca 0.45 -0.79 0.01 0.00 -2.23 0.00 0.00 60.65 58.10 1klv s ILE 32 Cb -0.18 -3.64 -0.00 0.00 -1.58 0.00 0.00 42.46 37.05 1klv s ILE 32 CO 0.23 -0.32 -0.04 -0.69 -1.23 0.00 0.00 174.94 172.88 1klv s VAL 33 N -2.22 0.34 0.18 2.92 1.01 0.32 -2.12 120.40 120.82 1klv s VAL 33 Ca 0.41 -0.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.06 1klv s VAL 33 Cb -0.09 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.02 1klv s VAL 33 CO 0.33 0.10 0.46 -0.70 0.00 0.00 0.00 175.10 175.29 1klv s GLU 34 N -0.06 1.29 0.22 2.72 -6.30 -0.74 -4.76 118.70 111.07 1klv s GLU 34 Ca 0.01 -0.88 0.04 0.00 -2.50 0.00 0.00 54.97 51.64 1klv s GLU 34 Cb -0.02 0.49 -0.03 0.00 0.00 0.00 0.00 34.13 34.57 1klv s GLU 34 CO -0.00 -0.53 0.34 0.21 0.02 0.00 0.00 175.26 175.30 1klv s LYS 35 N -3.87 3.44 0.49 4.30 2.47 -1.26 -2.19 119.74 123.11 1klv s LYS 35 Ca 0.09 -0.72 -0.08 0.00 -1.56 0.00 0.00 55.97 53.70 1klv s LYS 35 Cb 0.00 -2.91 0.12 0.00 -1.46 0.00 0.00 37.83 33.59 1klv s LYS 35 CO -0.04 0.45 0.35 0.00 0.16 0.00 0.00 175.35 176.28 1klv n ALA 36 N -1.19 -1.57 -2.20 3.13 0.00 -0.98 -4.82 120.51 112.89 1klv n ALA 36 Ca -0.08 -0.57 -0.43 0.00 0.00 0.00 0.00 53.44 52.36 1klv n ALA 36 Cb 0.56 -0.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 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 -3.83 3.41 -1.17 0.00 0.04 -1.26 -3.15 135.00 129.04 1klv s PRO 37 Ca 0.25 1.08 -0.06 0.00 0.04 0.00 0.00 61.00 62.31 1klv s PRO 37 Cb -0.03 -4.12 0.01 0.00 0.04 0.00 0.00 34.50 30.39 1klv s PRO 37 CO 0.20 -1.77 1.01 1.63 0.04 0.00 0.00 177.00 178.11 1klv n LYS 38 N 8.32 -6.80 -0.56 4.56 5.02 -1.26 -4.98 118.16 122.45 1klv n LYS 38 Ca 0.19 0.75 -0.31 0.00 -2.02 0.00 0.00 58.31 56.92 1klv n LYS 38 Cb 0.48 -5.52 0.28 0.00 -0.02 0.00 0.00 35.03 30.25 1klv n LYS 38 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1klv s ALA 39 N -3.30 -0.37 -0.02 7.82 0.00 -1.19 -4.99 121.76 119.72 1klv s ALA 39 Ca 0.38 -0.97 0.14 0.00 0.00 0.00 0.00 51.96 51.51 1klv s ALA 39 Cb -0.17 -2.88 0.24 0.00 0.00 0.00 0.00 23.12 20.31 1klv s ALA 39 CO 0.65 -4.42 1.10 2.89 0.00 0.00 0.00 175.76 175.98 1klv n ARG 40 N -5.49 0.12 -2.16 0.00 1.85 -1.26 -5.03 116.66 104.69 1klv n ARG 40 Ca 0.15 -1.57 -0.26 0.00 -1.00 0.00 0.00 57.85 55.16 1klv n ARG 40 Cb 0.61 0.18 0.17 0.00 -1.05 0.00 0.00 32.46 32.37 1klv n ARG 40 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 1klv n ILE 41 N 0.16 0.00 -0.50 8.89 -0.00 -1.26 -4.95 119.36 121.69 1klv n ILE 41 Ca -0.10 -1.21 -0.29 0.00 -0.00 0.00 0.00 62.75 61.15 1klv n ILE 41 Cb 0.92 -1.26 0.25 0.00 -0.00 0.00 0.00 39.64 39.55 1klv n ILE 41 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1klv n GLY 42 N -3.18 -1.85 3.95 3.28 0.00 0.28 -4.99 105.19 102.68 1klv n GLY 42 Ca 0.16 -1.12 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 1klv n GLY 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1klv s ASP 43 N -2.42 4.71 0.02 1.61 2.15 -1.26 -4.66 116.67 116.82 1klv s ASP 43 Ca 0.68 0.24 0.02 0.00 0.43 0.00 0.00 52.55 53.92 1klv s ASP 43 Cb -0.25 -0.85 -0.02 0.00 -0.30 0.00 0.00 42.92 41.50 1klv s ASP 43 CO 0.64 -1.64 -0.06 -0.22 -0.17 0.00 0.00 175.17 173.73 1klv s LEU 44 N -5.19 2.16 0.00 -1.34 0.20 -1.25 -4.22 118.68 109.04 1klv s LEU 44 Ca 0.61 -0.37 0.27 0.00 0.69 0.00 0.00 54.13 55.33 1klv s LEU 44 Cb -0.09 -0.17 0.88 0.00 -0.43 0.00 0.00 46.19 46.37 1klv s LEU 44 CO 0.44 -0.11 1.65 0.47 -0.29 0.00 0.00 176.35 178.51 1klv n ASP 45 N 2.03 0.52 -3.63 3.68 8.00 -1.26 -4.90 116.55 120.99 1klv n ASP 45 Ca -0.19 -0.35 -0.13 0.00 0.71 0.00 0.00 54.79 54.83 1klv n ASP 45 Cb 0.56 0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.62 1klv n ASP 45 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1klv s LYS 46 N -2.75 0.98 -0.34 -1.24 3.01 -1.26 -5.07 119.74 113.07 1klv s LYS 46 Ca 0.19 -0.39 0.11 0.00 -1.01 0.00 0.00 55.97 54.87 1klv s LYS 46 Cb 0.19 0.44 0.45 0.00 -1.01 0.00 0.00 37.83 37.90 1klv s LYS 46 CO 0.57 -0.35 1.11 0.36 0.51 0.00 0.00 175.35 177.55 1klv n LYS 47 N 0.35 2.85 -3.27 1.68 0.00 -1.26 -4.98 118.16 113.53 1klv n LYS 47 Ca -0.18 -4.03 0.01 0.00 -0.00 0.00 0.00 58.31 54.11 1klv n LYS 47 Cb 0.61 -1.99 -0.03 0.00 -0.00 0.00 0.00 35.03 33.62 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 -3.53 0.53 -0.05 -1.58 -2.85 -1.26 -0.52 119.74 110.48 1klv s LYS 48 Ca 0.42 1.01 -0.02 0.00 -1.00 0.00 0.00 55.97 56.39 1klv s LYS 48 Cb 0.40 0.46 -0.04 0.00 -2.06 0.00 0.00 37.83 36.60 1klv s LYS 48 CO -0.05 -0.55 0.05 0.71 0.10 0.00 0.00 175.35 175.61 1klv s TYR 49 N 2.82 3.27 -0.40 1.78 1.51 -0.65 -4.95 117.35 120.73 1klv s TYR 49 Ca 0.15 0.25 -0.03 0.00 -1.01 0.00 0.00 57.07 56.43 1klv s TYR 49 Cb -0.15 -1.79 0.11 0.00 -0.11 0.00 0.00 41.96 40.03 1klv s TYR 49 CO -0.20 0.54 0.19 -1.17 -1.11 0.00 0.00 175.55 173.80 1klv s LEU 50 N -1.28 5.16 0.20 -1.29 2.96 -1.26 -1.33 118.68 121.83 1klv s LEU 50 Ca 0.18 -1.99 0.07 0.00 -0.22 0.00 0.00 54.13 52.17 1klv s LEU 50 Cb -0.12 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 1klv s LEU 50 CO 0.07 -0.52 -0.14 0.68 -1.32 0.00 0.00 176.35 175.12 1klv s VAL 51 N 1.14 1.69 0.48 1.68 -7.23 -1.07 -4.91 120.40 112.17 1klv s VAL 51 Ca 0.08 -2.17 -0.22 0.00 -1.81 0.00 0.00 61.98 57.86 1klv s VAL 51 Cb -0.22 -2.00 -0.07 0.00 0.56 0.00 0.00 36.38 34.64 1klv s VAL 51 CO -0.04 -0.59 1.12 -2.16 -0.31 0.00 0.00 175.10 173.12 1klv s PRO 52 N -3.58 3.72 0.28 4.82 0.04 -1.26 -0.07 135.00 138.95 1klv s PRO 52 Ca 0.21 1.62 0.22 0.00 0.04 0.00 0.00 61.00 63.10 1klv s PRO 52 Cb -0.01 -2.27 1.05 0.00 0.04 0.00 0.00 34.50 33.31 1klv s PRO 52 CO 0.06 -0.55 1.67 0.43 0.04 0.00 0.00 177.00 178.65 1klv n SER 53 N -0.71 0.60 0.02 6.66 7.64 -1.25 -1.78 113.62 124.78 1klv n SER 53 Ca 0.08 0.71 0.13 0.00 1.01 0.00 0.00 58.87 60.80 1klv n SER 53 Cb 0.50 -0.81 0.45 0.00 -1.01 0.00 0.00 64.21 63.34 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 -2.23 0.29 -4.76 6.43 -0.08 -1.26 -0.60 116.55 114.34 1klv n ASP 54 Ca 0.00 0.26 -0.39 0.00 -1.51 0.00 0.00 54.79 53.15 1klv n ASP 54 Cb 0.13 -0.27 0.01 0.00 2.34 0.00 0.00 41.12 43.33 1klv n ASP 54 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1klv s LEU 55 N -3.27 4.10 0.39 -2.67 1.43 -0.73 -4.86 118.68 113.07 1klv s LEU 55 Ca 0.12 2.79 -0.04 0.00 -1.03 0.00 0.00 54.13 55.98 1klv s LEU 55 Cb 0.17 -3.98 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 1klv s LEU 55 CO 0.60 -1.12 0.65 0.42 0.23 0.00 0.00 176.35 177.13 1klv s THR 56 N -1.25 4.99 0.63 5.49 -4.23 -1.26 -1.08 115.64 118.93 1klv s THR 56 Ca 0.61 -0.01 0.33 0.00 -1.18 0.00 0.00 61.69 61.45 1klv s THR 56 Cb -0.41 -3.82 0.37 0.00 1.34 0.00 0.00 72.50 69.98 1klv s THR 56 CO 0.52 -0.60 2.15 0.58 -0.54 0.00 0.00 174.62 176.72 1klv h VAL 57 N 0.74 0.26 -0.07 2.29 2.07 -1.43 0.33 116.25 120.43 1klv h VAL 57 Ca -0.48 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 66.87 1klv h VAL 57 Cb 1.20 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1klv h VAL 57 CO 0.63 0.00 -0.68 1.23 0.02 0.00 0.00 177.57 178.77 1klv h GLY 58 N 0.00 0.33 0.39 2.17 0.00 -1.85 -2.07 103.07 102.04 1klv h GLY 58 Ca 0.04 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1klv h GLY 58 CO -0.00 0.40 -0.01 1.46 0.00 0.00 0.00 176.54 178.39 1klv h GLN 59 N 0.21 -0.03 -0.20 4.80 1.08 -1.31 -2.93 115.11 116.74 1klv h GLN 59 Ca -0.02 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1klv h GLN 59 Cb 1.23 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.65 1klv h GLN 59 CO 0.11 0.56 0.10 0.35 -0.95 0.00 0.00 178.83 179.00 1klv h PHE 60 N -0.65 0.25 0.00 2.96 3.57 -1.55 0.35 116.94 121.88 1klv h PHE 60 Ca -0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1klv h PHE 60 Cb 0.60 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 1klv h PHE 60 CO 0.13 0.19 -0.16 -0.92 -2.23 0.00 0.00 178.31 175.32 1klv h TYR 61 N 0.27 0.00 0.17 0.41 5.03 -1.30 -2.68 116.97 118.87 1klv h TYR 61 Ca 0.07 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.37 1klv h TYR 61 Cb 0.02 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.30 1klv h TYR 61 CO 0.00 0.16 -0.08 0.35 -1.32 0.00 0.00 178.16 177.27 1klv h PHE 62 N 0.00 -0.22 -0.37 -3.82 3.57 -0.74 -2.49 116.94 112.87 1klv h PHE 62 Ca -0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1klv h PHE 62 Cb 0.29 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1klv h PHE 62 CO 0.00 0.19 0.25 1.37 -2.23 0.00 0.00 178.31 177.89 1klv h LEU 63 N -0.73 0.41 -0.34 0.59 8.10 -1.34 -2.24 115.31 119.78 1klv h LEU 63 Ca -0.02 -0.01 -0.19 0.00 0.11 0.00 0.00 57.88 57.76 1klv h LEU 63 Cb 0.51 -0.10 -0.01 0.00 -0.44 0.00 0.00 40.66 40.61 1klv h LEU 63 CO 0.04 0.30 -0.83 0.40 -4.11 0.00 0.00 178.44 174.24 1klv h ILE 64 N 0.49 1.45 -0.56 0.15 2.04 -1.51 -3.27 117.51 116.31 1klv h ILE 64 Ca 0.14 -2.45 0.05 0.00 1.00 0.00 0.00 64.86 63.60 1klv h ILE 64 Cb -0.04 2.35 -0.07 0.00 -0.74 0.00 0.00 36.82 38.33 1klv h ILE 64 CO -0.03 0.72 -0.33 0.54 0.00 0.00 0.00 178.15 179.05 1klv n ARG 65 N -3.72 -0.25 0.20 2.37 5.12 -0.84 0.11 116.66 119.65 1klv n ARG 65 Ca -0.04 1.20 0.05 0.00 -1.93 0.00 0.00 57.85 57.13 1klv n ARG 65 Cb 0.77 -1.77 0.49 0.00 -1.16 0.00 0.00 32.46 30.79 1klv n ARG 65 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1klv h LYS 66 N 0.00 0.07 0.00 5.56 6.56 -1.68 -1.11 116.57 125.98 1klv h LYS 66 Ca 0.09 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.66 1klv h LYS 66 Cb 0.23 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 31.88 1klv h LYS 66 CO -0.53 0.20 -0.01 0.00 -2.06 0.00 0.00 179.45 177.06 1klv h ARG 67 N 0.07 0.00 -0.52 3.15 2.47 0.74 -1.78 114.38 118.52 1klv h ARG 67 Ca 0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1klv h ARG 67 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 1klv h ARG 67 CO 0.02 0.01 0.00 -0.89 0.56 0.00 0.00 179.97 179.67 1klv n ILE 68 N -3.12 1.91 -2.26 2.04 5.41 0.45 -3.76 119.36 120.03 1klv n ILE 68 Ca -0.01 -1.34 -0.10 0.00 1.00 0.00 0.00 62.75 62.30 1klv n ILE 68 Cb 0.22 0.06 -0.01 0.00 -0.71 0.00 0.00 39.64 39.19 1klv n ILE 68 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1klv n HIS 69 N 0.64 -1.35 -4.20 1.39 -0.00 -0.67 -0.55 115.22 110.47 1klv n HIS 69 Ca 0.23 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 58.18 1klv n HIS 69 Cb 0.86 -2.41 -0.06 0.00 -0.12 0.00 0.00 29.99 28.26 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 -5.15 3.44 0.00 0.27 0.05 -1.12 -4.71 118.68 111.45 1klv s LEU 70 Ca 0.00 -0.51 -0.04 0.00 0.05 0.00 0.00 54.13 53.64 1klv s LEU 70 Cb 0.00 -1.96 0.01 0.00 -2.05 0.00 0.00 46.19 42.19 1klv s LEU 70 CO 0.00 -0.04 0.18 -2.11 -0.55 0.00 0.00 176.35 173.83 1klv n ARG 71 N -1.03 0.16 0.00 1.48 1.85 -1.26 -4.37 116.66 113.49 1klv n ARG 71 Ca -0.07 -0.34 0.00 0.00 -1.00 0.00 0.00 57.85 56.44 1klv n ARG 71 Cb 0.59 0.44 0.00 0.00 -1.05 0.00 0.00 32.46 32.44 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 -2.56 0.00 -2.07 2.89 0.00 -1.26 -1.75 120.51 115.77 1klv n ALA 72 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.36 1klv n ALA 72 Cb 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.51 1klv n ALA 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1klv n GLU 73 N 0.00 0.00 -0.61 0.00 1.02 -1.26 -5.13 120.64 114.66 1klv n GLU 73 Ca 0.00 -1.07 -0.20 0.00 -0.02 0.00 0.00 57.16 55.87 1klv n GLU 73 Cb 0.00 0.39 0.13 0.00 -0.02 0.00 0.00 31.44 31.94 1klv n GLU 73 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1klv n ASP 74 N 0.07 -2.82 -4.78 1.62 2.03 -0.71 -4.90 116.55 107.06 1klv n ASP 74 Ca -0.21 -0.28 -0.39 0.00 0.52 0.00 0.00 54.79 54.42 1klv n ASP 74 Cb 0.75 -0.75 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1klv n ASP 74 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1klv s ALA 75 N -2.08 3.50 -0.07 -1.67 0.00 -1.26 -4.99 121.76 115.18 1klv s ALA 75 Ca 0.36 0.13 -0.29 0.00 0.00 0.00 0.00 51.96 52.16 1klv s ALA 75 Cb -0.05 -2.78 0.10 0.00 0.00 0.00 0.00 23.12 20.39 1klv s ALA 75 CO 0.38 0.26 0.84 -1.17 0.00 0.00 0.00 175.76 176.07 1klv s LEU 76 N -0.69 -0.48 -0.29 0.00 2.96 -1.26 -4.47 118.68 114.45 1klv s LEU 76 Ca 0.32 0.39 -0.08 0.00 -0.22 0.00 0.00 54.13 54.54 1klv s LEU 76 Cb -0.20 2.18 0.13 0.00 0.50 0.00 0.00 46.19 48.80 1klv s LEU 76 CO 0.20 -0.54 0.61 -0.36 -1.32 0.00 0.00 176.35 174.94 1klv s PHE 77 N -1.75 -1.30 0.00 5.38 0.08 0.71 -4.93 117.98 116.17 1klv s PHE 77 Ca -0.03 2.12 -0.25 0.00 0.12 0.00 0.00 56.93 58.89 1klv s PHE 77 Cb -0.00 0.69 -0.05 0.00 -0.57 0.00 0.00 43.02 43.09 1klv s PHE 77 CO 0.01 -0.67 0.76 -0.06 -0.10 0.00 0.00 175.22 175.16 1klv s PHE 78 N 2.85 3.68 -0.19 0.36 0.08 -1.26 -2.04 117.98 121.45 1klv s PHE 78 Ca -0.01 1.42 -0.00 0.00 0.12 0.00 0.00 56.93 58.45 1klv s PHE 78 Cb -0.12 -2.84 0.01 0.00 -0.57 0.00 0.00 43.02 39.50 1klv s PHE 78 CO -0.18 0.19 -0.15 -0.06 -0.10 0.00 0.00 175.22 174.91 1klv s PHE 79 N 0.32 2.84 -0.15 0.36 0.08 -0.47 -4.64 117.98 116.32 1klv s PHE 79 Ca 0.39 -1.46 0.02 0.00 0.12 0.00 0.00 56.93 56.01 1klv s PHE 79 Cb -0.20 -1.98 0.01 0.00 -0.57 0.00 0.00 43.02 40.29 1klv s PHE 79 CO 0.22 -0.74 -0.20 0.08 -0.10 0.00 0.00 175.22 174.48 1klv s VAL 80 N 1.34 1.96 -1.59 -0.44 1.01 -0.75 -2.36 120.40 119.58 1klv s VAL 80 Ca 0.05 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 60.99 1klv s VAL 80 Cb -0.13 -1.75 0.10 0.00 0.00 0.00 0.00 36.38 34.60 1klv s VAL 80 CO -0.10 0.53 0.80 0.59 0.00 0.00 0.00 175.10 176.92 1klv n ASN 81 N 4.27 -3.29 -2.74 3.32 4.13 -1.26 -0.14 115.26 119.56 1klv n ASN 81 Ca -0.20 -0.92 -0.20 0.00 1.68 0.00 0.00 54.58 54.94 1klv n ASN 81 Cb 0.51 -3.25 0.04 0.00 -1.54 0.00 0.00 39.78 35.54 1klv n ASN 81 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1klv n ASN 82 N -2.78 -5.64 -4.27 6.41 4.13 -1.26 -5.00 115.26 106.85 1klv n ASN 82 Ca -0.01 -0.28 -0.15 0.00 1.68 0.00 0.00 54.58 55.83 1klv n ASN 82 Cb 0.54 -4.44 -0.10 0.00 -1.54 0.00 0.00 39.78 34.24 1klv n ASN 82 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1klv s VAL 83 N -3.13 0.55 -0.46 2.41 1.01 0.81 -5.10 120.40 116.49 1klv s VAL 83 Ca 0.30 -1.99 0.07 0.00 0.00 0.00 0.00 61.98 60.35 1klv s VAL 83 Cb -0.13 -2.38 0.25 0.00 0.00 0.00 0.00 36.38 34.12 1klv s VAL 83 CO 0.37 -0.22 0.83 -0.38 0.00 0.00 0.00 175.10 175.69 1klv n ILE 84 N -0.34 -0.16 -1.48 2.22 -0.00 -1.26 -1.80 119.36 116.54 1klv n ILE 84 Ca -0.03 -2.15 -0.30 0.00 -0.00 0.00 0.00 62.75 60.27 1klv n ILE 84 Cb 0.65 0.70 0.09 0.00 -0.00 0.00 0.00 39.64 41.07 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 0.14 2.21 0.98 0.38 0.04 -1.26 -5.05 135.00 132.44 1klv s PRO 85 Ca 0.32 0.80 -0.17 0.00 0.04 0.00 0.00 61.00 61.99 1klv s PRO 85 Cb 0.23 -1.92 0.24 0.00 0.04 0.00 0.00 34.50 33.09 1klv s PRO 85 CO -0.19 -1.57 0.97 -0.35 0.04 0.00 0.00 177.00 175.90 1klv n PRO 86 N -3.42 -2.38 -0.23 0.56 -0.04 -1.26 -4.90 135.00 123.33 1klv n PRO 86 Ca 0.07 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 61.99 1klv n PRO 86 Cb 0.55 -1.32 0.09 0.00 -0.04 0.00 0.00 33.50 32.77 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 -4.25 0.85 -1.16 0.52 -2.24 -1.26 -4.24 114.28 102.50 1klv n THR 87 Ca 0.13 -0.36 -0.26 0.00 -2.27 0.00 0.00 64.05 61.29 1klv n THR 87 Cb 0.49 -0.54 0.05 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.14 7.02 -1.53 3.42 2.88 -1.26 -4.32 113.62 119.97 1klv n SER 88 Ca 0.08 -3.40 -0.04 0.00 -1.33 0.00 0.00 58.87 54.18 1klv n SER 88 Cb 0.54 -1.04 -0.01 0.00 -0.75 0.00 0.00 64.21 62.95 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 -0.16 0.01 -2.87 -1.46 0.00 -1.26 -5.04 120.51 109.74 1klv n ALA 89 Ca 0.46 -0.45 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 1klv n ALA 89 Cb 0.59 0.36 -0.14 0.00 0.00 0.00 0.00 19.45 20.26 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 -2.46 0.03 0.29 0.00 -4.23 -1.26 -1.42 115.64 106.59 1klv s THR 90 Ca 0.08 -0.08 0.04 0.00 -1.18 0.00 0.00 61.69 60.56 1klv s THR 90 Cb 0.00 -0.05 0.28 0.00 1.34 0.00 0.00 72.50 74.08 1klv s THR 90 CO 0.06 -0.03 1.72 0.24 -0.54 0.00 0.00 174.62 176.07 1klv h MET 91 N 6.03 0.50 -0.55 3.99 2.86 -1.27 0.17 114.93 126.66 1klv h MET 91 Ca -0.25 -0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.47 1klv h MET 91 Cb 1.21 -0.11 -0.08 0.00 0.06 0.00 0.00 31.60 32.67 1klv h MET 91 CO 0.50 0.33 0.07 0.78 1.06 0.00 0.00 176.91 179.65 1klv h GLY 92 N 0.51 0.64 1.92 8.32 0.00 -1.04 0.14 103.07 113.56 1klv h GLY 92 Ca 0.56 0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.85 1klv h GLY 92 CO -0.47 -0.12 -0.21 0.06 0.00 0.00 0.00 176.54 175.79 1klv h GLN 93 N 0.19 0.10 0.00 4.80 3.07 -1.12 -1.80 115.11 120.34 1klv h GLN 93 Ca 0.28 -0.03 -0.04 0.00 0.09 0.00 0.00 58.65 58.96 1klv h GLN 93 Cb 0.42 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.97 1klv h GLN 93 CO -0.41 0.31 -0.19 1.37 0.09 0.00 0.00 178.83 180.01 1klv h LEU 94 N 0.09 0.00 -0.23 0.06 8.10 -0.31 -3.16 115.31 119.86 1klv h LEU 94 Ca 0.02 0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.06 1klv h LEU 94 Cb 0.43 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.57 1klv h LEU 94 CO 0.03 0.19 -0.38 0.22 -4.11 0.00 0.00 178.44 174.38 1klv h TYR 95 N 0.00 -1.09 0.00 0.17 3.20 -0.53 0.28 116.97 119.00 1klv h TYR 95 Ca -0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1klv h TYR 95 Cb 0.56 0.51 0.00 0.00 1.54 0.00 0.00 36.73 39.34 1klv h TYR 95 CO 0.00 -0.44 0.00 0.37 -1.64 0.00 0.00 178.16 176.45 1klv h GLN 96 N -0.40 0.00 0.00 1.82 4.15 -1.71 -2.83 115.11 116.14 1klv h GLN 96 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1klv h GLN 96 Cb 0.59 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1klv h GLN 96 CO -0.45 0.00 -0.07 0.93 -1.93 0.00 0.00 178.83 177.32 1klv h GLU 97 N 0.00 0.00 -1.03 1.69 4.39 -0.61 -3.41 114.58 115.62 1klv h GLU 97 Ca 0.00 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.06 1klv h GLU 97 Cb 0.44 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 28.80 1klv h GLU 97 CO 0.00 0.00 0.82 0.72 -1.16 0.00 0.00 179.01 179.39 1klv n HIS 98 N -2.62 3.12 0.33 4.33 8.25 0.38 -4.57 115.22 124.44 1klv n HIS 98 Ca -0.01 -2.82 0.22 0.00 -0.26 0.00 0.00 57.72 54.85 1klv n HIS 98 Cb 0.03 -1.36 1.16 0.00 1.12 0.00 0.00 29.99 30.94 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 1.83 0.00 0.00 4.41 2.07 -1.61 -2.81 115.15 119.05 1klv h HIS 99 Ca 0.60 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.12 1klv h HIS 99 Cb 1.09 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.07 1klv h HIS 99 CO 1.42 0.00 0.00 -1.91 -3.07 0.00 0.00 177.93 174.37 1klv n GLU 100 N -3.03 0.00 0.04 5.12 0.00 -1.26 -3.72 120.64 117.78 1klv n GLU 100 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.13 1klv n GLU 100 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.55 1klv n GLU 100 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1klv n GLU 101 N 0.00 0.00 0.00 5.31 1.02 -1.26 -5.11 120.64 120.60 1klv n GLU 101 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1klv n GLU 101 Cb 0.00 -0.28 0.00 0.00 -0.02 0.00 0.00 31.44 31.14 1klv n GLU 101 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1klv n ASP 102 N -3.10 0.00 0.00 1.62 -0.08 -1.24 -4.99 116.55 108.76 1klv n ASP 102 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1klv n ASP 102 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1klv n ASP 102 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1klv n PHE 103 N -0.38 0.00 -3.77 -0.67 -0.00 -1.26 -4.89 117.46 106.49 1klv n PHE 103 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.42 1klv n PHE 103 Cb 0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 39.48 39.43 1klv n PHE 103 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.76 176.17 1klv s PHE 104 N -0.83 -0.09 0.41 -5.13 -0.12 -1.26 -4.83 117.98 106.12 1klv s PHE 104 Ca 0.00 -0.24 0.07 0.00 -0.05 0.00 0.00 56.93 56.72 1klv s PHE 104 Cb 0.00 0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 43.00 1klv s PHE 104 CO 0.00 -0.86 0.23 -0.48 -0.05 0.00 0.00 175.22 174.07 1klv s LEU 105 N -3.01 3.21 -0.10 -1.99 0.05 -1.08 -4.45 118.68 111.31 1klv s LEU 105 Ca 0.14 -0.96 0.02 0.00 0.05 0.00 0.00 54.13 53.37 1klv s LEU 105 Cb -0.02 -1.63 0.01 0.00 -2.05 0.00 0.00 46.19 42.51 1klv s LEU 105 CO 0.03 -0.55 -0.14 -0.47 -0.55 0.00 0.00 176.35 174.67 1klv s TYR 106 N -2.55 1.79 0.01 3.48 6.14 -1.06 -0.85 117.35 124.31 1klv s TYR 106 Ca 0.43 -0.80 -0.02 0.00 0.64 0.00 0.00 57.07 57.32 1klv s TYR 106 Cb 0.01 -1.31 -0.01 0.00 0.42 0.00 0.00 41.96 41.07 1klv s TYR 106 CO 0.24 -0.42 0.02 0.42 0.64 0.00 0.00 175.55 176.45 1klv s ILE 107 N 0.96 0.08 0.34 3.14 1.01 -0.90 -4.16 121.20 121.67 1klv s ILE 107 Ca -0.08 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 59.94 1klv s ILE 107 Cb -0.15 -0.26 -0.02 0.00 0.01 0.00 0.00 42.46 42.04 1klv s ILE 107 CO -0.01 -0.37 0.35 0.00 0.00 0.00 0.00 174.94 174.91 1klv n ALA 108 N 1.86 0.42 -2.83 9.38 0.00 -0.99 -1.79 120.51 126.56 1klv n ALA 108 Ca -0.21 -1.90 -0.10 0.00 0.00 0.00 0.00 53.44 51.24 1klv n ALA 108 Cb 0.56 1.53 -0.06 0.00 0.00 0.00 0.00 19.45 21.48 1klv n ALA 108 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1klv s TYR 109 N -3.22 0.12 0.26 0.00 1.13 -0.93 -1.37 117.35 113.33 1klv s TYR 109 Ca 0.38 -0.49 -0.21 0.00 -1.41 0.00 0.00 57.07 55.34 1klv s TYR 109 Cb 0.01 0.08 0.03 0.00 -1.10 0.00 0.00 41.96 40.98 1klv s TYR 109 CO 0.27 -0.70 0.68 0.45 -2.51 0.00 0.00 175.55 173.74 1klv s SER 110 N -2.89 -0.29 -0.13 -0.18 0.15 -0.87 -2.31 113.70 107.18 1klv s SER 110 Ca 0.10 -0.54 0.16 0.00 0.70 0.00 0.00 55.95 56.36 1klv s SER 110 Cb 0.03 0.70 0.39 0.00 -1.71 0.00 0.00 66.02 65.43 1klv s SER 110 CO -0.06 -1.28 1.19 -0.90 1.20 0.00 0.00 173.24 173.40 1klv n ASP 111 N -0.44 1.47 -1.67 5.45 5.75 -1.26 -0.21 116.55 125.63 1klv n ASP 111 Ca -0.06 -3.17 0.00 0.00 -0.01 0.00 0.00 54.79 51.55 1klv n ASP 111 Cb 0.60 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 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 -0.60 -4.56 -0.31 0.11 1.02 -1.26 -4.75 120.64 110.30 1klv n GLU 112 Ca 0.14 3.46 0.07 0.00 -0.02 0.00 0.00 57.16 60.82 1klv n GLU 112 Cb 0.83 -4.11 0.22 0.00 -0.02 0.00 0.00 31.44 28.35 1klv n GLU 112 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1klv n SER 113 N -1.77 3.46 -4.95 1.62 2.88 -1.26 -4.91 113.62 108.68 1klv n SER 113 Ca 0.00 -2.29 -0.23 0.00 -1.33 0.00 0.00 58.87 55.02 1klv n SER 113 Cb 0.25 -0.37 0.03 0.00 -0.75 0.00 0.00 64.21 63.37 1klv n SER 113 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1klv s VAL 114 N -1.52 3.39 0.00 2.46 0.11 -1.26 -5.10 120.40 118.47 1klv s VAL 114 Ca 0.33 -0.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 1klv s VAL 114 Cb 0.21 -3.28 0.00 0.00 -1.53 0.00 0.00 36.38 31.78 1klv s VAL 114 CO 0.17 -0.21 0.00 0.00 -3.33 0.00 0.00 175.10 171.72 1klv n TYR 115 N -2.28 -0.00 -3.70 1.54 4.19 -1.26 -4.94 117.16 110.70 1klv n TYR 115 Ca 0.04 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.25 1klv n TYR 115 Cb 0.59 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.42 1klv n TYR 115 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1klv n GLY 116 N 5.00 -1.34 0.00 2.98 0.00 -1.26 -5.19 105.19 105.38 1klv n GLY 116 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1klv n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36