#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 0.60 0.00 1.61 4.81 -2.04 0.28 114.58 119.85 1klv h GLU 19 Ca 0.00 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.05 1klv h GLU 19 Cb 0.00 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1klv h GLU 19 CO 0.00 0.40 -0.70 0.87 -0.73 0.00 0.00 179.01 178.85 1klv h LYS 20 N 0.62 0.00 0.00 1.92 1.57 -2.03 -3.04 116.57 115.61 1klv h LYS 20 Ca 0.61 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 1klv h LYS 20 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1klv h LYS 20 CO -0.41 0.70 0.00 0.82 -0.57 0.00 0.00 179.45 179.99 1klv h ILE 21 N 0.00 0.00 0.00 1.86 5.03 -0.83 -2.69 117.51 120.88 1klv h ILE 21 Ca -0.01 -0.04 -0.17 0.00 -0.12 0.00 0.00 64.86 64.52 1klv h ILE 21 Cb 1.35 0.79 -0.03 0.00 -3.03 0.00 0.00 36.82 35.90 1klv h ILE 21 CO 0.09 0.00 -0.98 0.03 -0.68 0.00 0.00 178.15 176.61 1klv h ARG 22 N 0.00 0.00 -0.89 2.37 -0.00 -1.41 0.30 114.38 114.76 1klv h ARG 22 Ca 0.00 0.00 0.20 0.00 -0.50 0.00 0.00 59.98 59.68 1klv h ARG 22 Cb 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 29.97 29.90 1klv h ARG 22 CO 0.00 0.86 0.42 0.87 0.00 0.00 0.00 179.97 182.12 1klv h LYS 23 N -1.00 0.47 0.05 0.04 6.56 -1.55 0.98 116.57 122.12 1klv h LYS 23 Ca -0.26 -0.03 -0.19 0.00 -1.06 0.00 0.00 60.65 59.12 1klv h LYS 23 Cb 1.14 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.68 1klv h LYS 23 CO -0.16 0.31 -0.97 0.87 -2.06 0.00 0.00 179.45 177.44 1klv h LYS 24 N 0.48 0.10 -2.30 3.15 1.57 -1.64 -3.39 116.57 114.55 1klv h LYS 24 Ca 0.53 -0.18 -0.66 0.00 -1.87 0.00 0.00 60.65 58.47 1klv h LYS 24 Cb 0.93 0.07 -0.37 0.00 0.08 0.00 0.00 32.23 32.93 1klv h LYS 24 CO -0.47 1.08 -0.12 0.66 -0.57 0.00 0.00 179.45 180.03 1klv n TYR 25 N -4.27 3.58 0.22 -1.35 4.01 0.10 -4.80 117.16 114.65 1klv n TYR 25 Ca -0.23 -3.57 0.09 0.00 -0.16 0.00 0.00 57.90 54.03 1klv n TYR 25 Cb 0.72 -0.72 0.48 0.00 -0.31 0.00 0.00 39.34 39.51 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 3.58 0.00 -0.44 -0.72 0.13 0.86 -2.76 132.00 132.64 1klv h PRO 26 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 1klv h PRO 26 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1klv h PRO 26 CO 0.94 0.26 0.00 -3.47 -0.23 0.00 0.00 178.00 175.50 1klv n ASP 27 N -3.56 4.94 -0.63 1.44 -0.08 -1.26 -4.97 116.55 112.43 1klv n ASP 27 Ca -0.01 -2.95 0.00 0.00 -1.51 0.00 0.00 54.79 50.32 1klv n ASP 27 Cb 0.40 -0.62 0.00 0.00 2.34 0.00 0.00 41.12 43.24 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 0.16 2.76 -3.50 -0.67 3.00 -1.04 -3.91 116.66 113.46 1klv n ARG 28 Ca 0.25 0.00 -0.19 0.00 -0.01 0.00 0.00 57.85 57.90 1klv n ARG 28 Cb 1.06 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 33.39 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 1.17 -0.29 -0.80 1.55 1.01 0.14 -4.56 120.40 118.63 1klv s VAL 29 Ca 0.00 -0.14 -0.26 0.00 0.00 0.00 0.00 61.98 61.59 1klv s VAL 29 Cb 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.72 1klv s VAL 29 CO 0.00 -0.23 1.56 -2.16 0.00 0.00 0.00 175.10 174.27 1klv s PRO 30 N 2.30 3.05 0.15 2.72 0.04 -1.26 -2.53 135.00 139.47 1klv s PRO 30 Ca 0.06 -0.25 -0.13 0.00 0.04 0.00 0.00 61.00 60.72 1klv s PRO 30 Cb -0.16 -4.64 -0.07 0.00 0.04 0.00 0.00 34.50 29.67 1klv s PRO 30 CO -0.12 -2.49 0.53 0.14 0.04 0.00 0.00 177.00 175.10 1klv s VAL 31 N 7.01 4.90 0.17 -0.36 -7.23 -0.71 -2.63 120.40 121.55 1klv s VAL 31 Ca 0.51 0.71 0.03 0.00 -1.81 0.00 0.00 61.98 61.42 1klv s VAL 31 Cb -0.07 -3.70 -0.03 0.00 0.56 0.00 0.00 36.38 33.13 1klv s VAL 31 CO 0.08 0.19 0.29 -0.63 -0.31 0.00 0.00 175.10 174.72 1klv s ILE 32 N -1.52 5.28 -0.02 -0.62 1.09 -0.26 -1.88 121.20 123.26 1klv s ILE 32 Ca 0.39 -0.77 0.02 0.00 -1.10 0.00 0.00 60.65 59.19 1klv s ILE 32 Cb -0.14 -3.75 0.00 0.00 -1.06 0.00 0.00 42.46 37.51 1klv s ILE 32 CO 0.19 -0.14 -0.08 -0.69 -0.10 0.00 0.00 174.94 174.12 1klv s VAL 33 N -1.79 0.68 0.33 2.92 1.01 -0.18 -2.16 120.40 121.21 1klv s VAL 33 Ca 0.34 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 1klv s VAL 33 Cb -0.11 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1klv s VAL 33 CO 0.28 0.22 0.48 -1.61 0.00 0.00 0.00 175.10 174.47 1klv s GLU 34 N 0.17 1.86 0.24 2.72 2.02 -0.82 -4.72 118.70 120.17 1klv s GLU 34 Ca -0.02 -1.69 0.09 0.00 0.02 0.00 0.00 54.97 53.37 1klv s GLU 34 Cb -0.08 0.45 -0.04 0.00 0.10 0.00 0.00 34.13 34.56 1klv s GLU 34 CO 0.00 -0.77 -0.02 0.21 0.02 0.00 0.00 175.26 174.70 1klv s LYS 35 N -3.17 2.28 0.00 1.61 2.47 -1.26 -2.35 119.74 119.31 1klv s LYS 35 Ca 0.29 -1.34 0.00 0.00 -1.56 0.00 0.00 55.97 53.37 1klv s LYS 35 Cb -0.00 -2.20 0.00 0.00 -1.46 0.00 0.00 37.83 34.17 1klv s LYS 35 CO 0.18 0.39 0.00 0.00 0.16 0.00 0.00 175.35 176.09 1klv n ALA 36 N -0.61 0.00 -2.27 3.13 0.00 -0.91 -4.83 120.51 115.02 1klv n ALA 36 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 1klv n ALA 36 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.79 3.48 -1.05 0.00 0.04 -1.26 -3.24 135.00 130.18 1klv s PRO 37 Ca 0.00 0.99 -0.06 0.00 0.04 0.00 0.00 61.00 61.97 1klv s PRO 37 Cb 0.00 -4.08 0.01 0.00 0.04 0.00 0.00 34.50 30.47 1klv s PRO 37 CO 0.00 -1.68 0.92 1.63 0.04 0.00 0.00 177.00 177.91 1klv n LYS 38 N 8.22 -6.15 -0.46 4.56 4.76 -1.26 -4.98 118.16 122.84 1klv n LYS 38 Ca 0.18 0.66 -0.29 0.00 -2.87 0.00 0.00 58.31 55.98 1klv n LYS 38 Cb 0.48 -5.17 0.27 0.00 -1.84 0.00 0.00 35.03 28.77 1klv n LYS 38 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1klv s ALA 39 N -3.26 -0.67 -0.14 7.82 0.00 -1.20 -5.00 121.76 119.32 1klv s ALA 39 Ca 0.40 -0.51 0.15 0.00 0.00 0.00 0.00 51.96 51.99 1klv s ALA 39 Cb -0.17 -3.08 0.32 0.00 0.00 0.00 0.00 23.12 20.18 1klv s ALA 39 CO 0.58 -4.27 1.20 2.89 0.00 0.00 0.00 175.76 176.15 1klv n ARG 40 N -5.32 0.70 -1.54 0.00 1.85 -1.26 -5.02 116.66 106.07 1klv n ARG 40 Ca 0.08 -1.85 -0.15 0.00 -1.00 0.00 0.00 57.85 54.93 1klv n ARG 40 Cb 0.57 -0.10 0.09 0.00 -1.05 0.00 0.00 32.46 31.98 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 -0.38 0.00 -0.55 8.89 -6.64 -1.26 -5.04 119.36 114.38 1klv n ILE 41 Ca -0.09 -0.81 -0.18 0.00 -1.77 0.00 0.00 62.75 59.90 1klv n ILE 41 Cb 0.88 -1.33 0.14 0.00 -1.44 0.00 0.00 39.64 37.89 1klv n ILE 41 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1klv n GLY 42 N 0.17 -2.40 2.69 3.28 0.00 -0.17 -4.97 105.19 103.78 1klv n GLY 42 Ca 0.10 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.92 0.25 -3.85 1.61 -0.08 -1.26 -4.80 116.55 107.49 1klv n ASP 43 Ca 0.05 -1.43 -0.17 0.00 -1.51 0.00 0.00 54.79 51.74 1klv n ASP 43 Cb 0.34 -0.66 -0.16 0.00 2.34 0.00 0.00 41.12 42.99 1klv n ASP 43 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1klv s LEU 44 N 0.00 1.36 0.10 -2.67 2.01 -1.26 -4.30 118.68 113.92 1klv s LEU 44 Ca 0.51 -0.05 0.15 0.00 0.01 0.00 0.00 54.13 54.75 1klv s LEU 44 Cb -0.02 -0.25 -0.12 0.00 0.01 0.00 0.00 46.19 45.82 1klv s LEU 44 CO 0.36 -0.06 0.98 -0.78 1.01 0.00 0.00 176.35 177.85 1klv h ASP 45 N 7.01 0.00 -5.03 2.29 1.82 -1.99 -3.47 116.42 117.04 1klv h ASP 45 Ca -0.39 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.16 1klv h ASP 45 Cb 1.15 0.00 -0.17 0.00 0.68 0.00 0.00 39.33 40.99 1klv h ASP 45 CO 0.48 0.68 -0.13 -1.59 -1.61 0.00 0.00 179.24 177.07 1klv s LYS 46 N -2.85 0.89 -0.36 0.28 0.00 -1.26 -5.06 119.74 111.37 1klv s LYS 46 Ca -0.01 -0.35 0.06 0.00 0.00 0.00 0.00 55.97 55.66 1klv s LYS 46 Cb 0.08 0.40 0.44 0.00 0.00 0.00 0.00 37.83 38.75 1klv s LYS 46 CO 0.80 -0.30 1.15 1.63 0.00 0.00 0.00 175.35 178.63 1klv n LYS 47 N 0.58 3.52 -3.23 1.78 4.01 -1.26 -4.95 118.16 118.61 1klv n LYS 47 Ca -0.19 -4.33 0.02 0.00 -0.51 0.00 0.00 58.31 53.30 1klv n LYS 47 Cb 0.59 -2.26 -0.02 0.00 -0.51 0.00 0.00 35.03 32.83 1klv n LYS 47 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 1klv s LYS 48 N -3.57 0.54 -0.10 1.97 -2.85 -1.26 -1.01 119.74 113.46 1klv s LYS 48 Ca 0.50 1.01 -0.04 0.00 -1.00 0.00 0.00 55.97 56.43 1klv s LYS 48 Cb 0.41 0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 36.62 1klv s LYS 48 CO -0.07 -0.57 0.06 0.71 0.10 0.00 0.00 175.35 175.58 1klv s TYR 49 N 2.83 3.35 -0.73 1.78 1.51 -0.79 -4.94 117.35 120.36 1klv s TYR 49 Ca 0.17 0.34 -0.13 0.00 -1.01 0.00 0.00 57.07 56.45 1klv s TYR 49 Cb -0.15 -1.85 0.19 0.00 -0.11 0.00 0.00 41.96 40.04 1klv s TYR 49 CO -0.20 0.59 0.66 -0.51 -1.11 0.00 0.00 175.55 174.97 1klv s LEU 50 N -0.96 6.41 -0.00 -1.29 2.01 -1.26 -1.75 118.68 121.84 1klv s LEU 50 Ca 0.14 -2.52 0.06 0.00 0.01 0.00 0.00 54.13 51.82 1klv s LEU 50 Cb -0.12 -2.15 -0.03 0.00 0.01 0.00 0.00 46.19 43.90 1klv s LEU 50 CO 0.03 -0.60 -0.18 0.68 1.01 0.00 0.00 176.35 177.29 1klv s VAL 51 N 0.43 2.77 0.54 -1.59 -7.23 -1.05 -4.87 120.40 109.40 1klv s VAL 51 Ca 0.15 -1.00 -0.20 0.00 -1.81 0.00 0.00 61.98 59.11 1klv s VAL 51 Cb -0.16 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.62 1klv s VAL 51 CO -0.06 0.47 1.18 -2.16 -0.31 0.00 0.00 175.10 174.22 1klv s PRO 52 N -1.05 3.30 0.25 4.82 0.04 -1.26 0.26 135.00 141.37 1klv s PRO 52 Ca 0.13 1.77 0.19 0.00 0.04 0.00 0.00 61.00 63.13 1klv s PRO 52 Cb -0.10 -2.09 0.95 0.00 0.04 0.00 0.00 34.50 33.29 1klv s PRO 52 CO 0.03 -0.93 1.58 0.43 0.04 0.00 0.00 177.00 178.15 1klv n SER 53 N -1.19 0.49 0.09 6.66 7.64 -1.25 -1.68 113.62 124.39 1klv n SER 53 Ca 0.11 0.69 0.13 0.00 1.01 0.00 0.00 58.87 60.81 1klv n SER 53 Cb 0.49 -0.77 0.31 0.00 -1.01 0.00 0.00 64.21 63.23 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 -2.12 0.77 -4.77 6.43 -0.08 -1.26 -1.25 116.55 114.27 1klv n ASP 54 Ca -0.00 0.39 -0.40 0.00 -1.51 0.00 0.00 54.79 53.27 1klv n ASP 54 Cb 0.09 -0.41 0.01 0.00 2.34 0.00 0.00 41.12 43.14 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 -4.40 4.16 0.48 -2.67 1.43 -0.67 -4.87 118.68 112.13 1klv s LEU 55 Ca 0.09 2.82 -0.02 0.00 -1.03 0.00 0.00 54.13 55.99 1klv s LEU 55 Cb 0.13 -3.92 -0.00 0.00 0.03 0.00 0.00 46.19 42.43 1klv s LEU 55 CO 0.65 -1.04 0.74 0.42 0.23 0.00 0.00 176.35 177.34 1klv s THR 56 N -1.22 4.03 0.54 5.49 -4.23 -1.26 -1.24 115.64 117.75 1klv s THR 56 Ca 0.59 -0.31 0.30 0.00 -1.18 0.00 0.00 61.69 61.10 1klv s THR 56 Cb -0.42 -3.52 0.35 0.00 1.34 0.00 0.00 72.50 70.25 1klv s THR 56 CO 0.54 -0.42 2.21 0.58 -0.54 0.00 0.00 174.62 176.99 1klv h VAL 57 N 0.25 0.48 -0.06 2.29 2.07 -1.50 -1.32 116.25 118.46 1klv h VAL 57 Ca -0.46 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 66.77 1klv h VAL 57 Cb 1.25 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1klv h VAL 57 CO 0.59 0.03 -0.55 1.23 0.02 0.00 0.00 177.57 178.89 1klv h GLY 58 N 0.27 0.19 0.47 2.17 0.00 -1.85 -2.27 103.07 102.05 1klv h GLY 58 Ca -0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 1klv h GLY 58 CO 0.00 0.20 -0.20 1.46 0.00 0.00 0.00 176.54 178.01 1klv h GLN 59 N 0.14 0.17 -0.26 4.80 1.08 -1.62 -3.13 115.11 116.28 1klv h GLN 59 Ca -0.00 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 1klv h GLN 59 Cb 1.01 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.47 1klv h GLN 59 CO 0.08 0.85 0.16 0.35 -0.95 0.00 0.00 178.83 179.32 1klv h PHE 60 N -0.47 0.33 -0.18 2.96 3.57 -1.52 0.13 116.94 121.76 1klv h PHE 60 Ca -0.02 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1klv h PHE 60 Cb 0.91 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1klv h PHE 60 CO 0.16 0.22 0.08 -0.92 -2.23 0.00 0.00 178.31 175.62 1klv h TYR 61 N 0.35 0.24 0.12 0.41 5.03 -1.37 -2.71 116.97 119.04 1klv h TYR 61 Ca 0.09 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.40 1klv h TYR 61 Cb -0.02 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.18 1klv h TYR 61 CO 0.00 0.19 -0.06 0.35 -1.32 0.00 0.00 178.16 177.32 1klv h PHE 62 N 0.25 -0.15 -0.53 -3.82 3.57 -0.92 -2.42 116.94 112.93 1klv h PHE 62 Ca 0.07 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1klv h PHE 62 Cb 0.04 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1klv h PHE 62 CO 0.00 0.32 0.35 1.37 -2.23 0.00 0.00 178.31 178.13 1klv h LEU 63 N -0.75 0.58 -0.15 0.59 8.10 -1.33 -2.22 115.31 120.13 1klv h LEU 63 Ca -0.02 -0.01 -0.21 0.00 0.11 0.00 0.00 57.88 57.75 1klv h LEU 63 Cb 0.54 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 40.61 1klv h LEU 63 CO 0.03 0.42 -0.96 0.40 -4.11 0.00 0.00 178.44 174.21 1klv h ILE 64 N 0.69 1.56 -0.59 0.15 2.04 -1.56 -3.25 117.51 116.55 1klv h ILE 64 Ca 0.20 -2.91 0.05 0.00 1.00 0.00 0.00 64.86 63.21 1klv h ILE 64 Cb -0.03 2.64 -0.07 0.00 -0.74 0.00 0.00 36.82 38.62 1klv h ILE 64 CO -0.05 0.84 -0.35 0.54 0.00 0.00 0.00 178.15 179.14 1klv n ARG 65 N -3.55 -0.26 0.20 2.37 1.74 -0.84 0.59 116.66 116.91 1klv n ARG 65 Ca -0.03 1.29 0.04 0.00 -0.77 0.00 0.00 57.85 58.38 1klv n ARG 65 Cb 0.87 -1.91 0.47 0.00 -1.02 0.00 0.00 32.46 30.87 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 0.04 0.00 5.56 6.56 -1.69 -1.26 116.57 125.78 1klv h LYS 66 Ca 0.09 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 1klv h LYS 66 Cb 0.24 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1klv h LYS 66 CO -0.55 0.24 0.00 0.00 -2.06 0.00 0.00 179.45 177.08 1klv h ARG 67 N 0.03 0.00 -0.51 3.15 2.47 0.12 -1.85 114.38 117.80 1klv h ARG 67 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1klv h ARG 67 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 1klv h ARG 67 CO 0.03 0.00 0.00 -0.89 0.56 0.00 0.00 179.97 179.67 1klv n ILE 68 N -2.68 1.93 -2.32 2.04 2.08 0.72 -4.32 119.36 116.81 1klv n ILE 68 Ca 0.00 -1.35 -0.10 0.00 0.56 0.00 0.00 62.75 61.86 1klv n ILE 68 Cb 0.22 0.05 -0.01 0.00 -0.75 0.00 0.00 39.64 39.15 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 0.60 -1.38 -4.21 1.39 -0.00 -0.70 -1.00 115.22 109.92 1klv n HIS 69 Ca 0.23 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 58.15 1klv n HIS 69 Cb 0.86 -2.47 -0.08 0.00 -0.12 0.00 0.00 29.99 28.18 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 -5.28 3.30 0.00 0.27 0.05 -1.15 -4.69 118.68 111.19 1klv s LEU 70 Ca 0.00 -0.41 -0.07 0.00 0.05 0.00 0.00 54.13 53.70 1klv s LEU 70 Cb 0.00 -1.95 0.02 0.00 -2.05 0.00 0.00 46.19 42.22 1klv s LEU 70 CO 0.00 0.08 0.33 -2.11 -0.55 0.00 0.00 176.35 174.10 1klv n ARG 71 N -0.18 0.27 0.00 1.48 0.00 -1.26 -4.40 116.66 112.58 1klv n ARG 71 Ca -0.09 -0.59 0.00 0.00 -0.00 0.00 0.00 57.85 57.17 1klv n ARG 71 Cb 0.55 0.77 0.00 0.00 -0.00 0.00 0.00 32.46 33.79 1klv n ARG 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1klv n ALA 72 N -2.21 0.00 -2.64 2.89 0.00 -1.26 -1.48 120.51 115.81 1klv n ALA 72 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.39 1klv n ALA 72 Cb 0.20 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.70 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 1.07 -0.30 0.00 -0.00 -1.26 -5.12 120.64 115.03 1klv n GLU 73 Ca 0.00 -2.41 -0.30 0.00 -0.00 0.00 0.00 57.16 54.45 1klv n GLU 73 Cb 0.00 -0.59 0.29 0.00 -0.00 0.00 0.00 31.44 31.14 1klv n GLU 73 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1klv s ASP 74 N -2.53 -0.95 -0.04 -1.84 -1.08 -0.55 -4.97 116.67 104.71 1klv s ASP 74 Ca 0.22 1.04 -0.14 0.00 -0.52 0.00 0.00 52.55 53.15 1klv s ASP 74 Cb 0.33 -1.53 -0.05 0.00 -1.46 0.00 0.00 42.92 40.21 1klv s ASP 74 CO -0.08 -5.32 0.37 0.00 0.52 0.00 0.00 175.17 170.66 1klv s ALA 75 N -2.20 3.69 -0.08 3.66 0.00 -1.26 -4.98 121.76 120.59 1klv s ALA 75 Ca 0.68 -0.29 -0.30 0.00 0.00 0.00 0.00 51.96 52.06 1klv s ALA 75 Cb -0.17 -2.36 0.10 0.00 0.00 0.00 0.00 23.12 20.69 1klv s ALA 75 CO 0.60 0.42 0.84 -1.17 0.00 0.00 0.00 175.76 176.45 1klv s LEU 76 N -0.79 -0.49 -0.28 0.00 2.96 -1.25 -4.64 118.68 114.20 1klv s LEU 76 Ca 0.22 0.44 -0.09 0.00 -0.22 0.00 0.00 54.13 54.48 1klv s LEU 76 Cb -0.16 2.18 0.12 0.00 0.50 0.00 0.00 46.19 48.84 1klv s LEU 76 CO 0.11 -0.52 0.60 -0.36 -1.32 0.00 0.00 176.35 174.86 1klv s PHE 77 N -1.59 -1.24 -0.19 5.38 0.08 -0.07 -4.85 117.98 115.49 1klv s PHE 77 Ca -0.04 2.16 -0.20 0.00 0.12 0.00 0.00 56.93 58.98 1klv s PHE 77 Cb -0.00 0.70 -0.03 0.00 -0.57 0.00 0.00 43.02 43.12 1klv s PHE 77 CO 0.02 -0.63 0.57 -0.06 -0.10 0.00 0.00 175.22 175.02 1klv s PHE 78 N 2.84 3.38 -0.14 0.36 0.08 -1.26 -1.29 117.98 121.94 1klv s PHE 78 Ca -0.05 0.85 0.00 0.00 0.12 0.00 0.00 56.93 57.86 1klv s PHE 78 Cb -0.12 -2.73 -0.01 0.00 -0.57 0.00 0.00 43.02 39.59 1klv s PHE 78 CO -0.18 -0.13 -0.14 -0.06 -0.10 0.00 0.00 175.22 174.61 1klv s PHE 79 N 1.72 2.79 -0.16 0.36 0.40 -0.50 -4.76 117.98 117.83 1klv s PHE 79 Ca 0.26 -0.88 0.01 0.00 -0.60 0.00 0.00 56.93 55.73 1klv s PHE 79 Cb -0.16 -1.87 0.02 0.00 0.51 0.00 0.00 43.02 41.52 1klv s PHE 79 CO 0.10 -0.37 -0.19 0.08 0.70 0.00 0.00 175.22 175.54 1klv s VAL 80 N 0.63 1.93 -1.49 -0.44 1.01 -0.82 -2.50 120.40 118.71 1klv s VAL 80 Ca -0.08 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 1klv s VAL 80 Cb -0.16 -1.74 0.04 0.00 0.00 0.00 0.00 36.38 34.53 1klv s VAL 80 CO 0.03 0.52 0.51 -3.20 0.00 0.00 0.00 175.10 172.95 1klv n ASN 81 N 4.45 -1.13 -3.32 3.32 5.15 -1.26 0.02 115.26 122.50 1klv n ASN 81 Ca -0.20 -1.01 -0.24 0.00 -0.60 0.00 0.00 54.58 52.53 1klv n ASN 81 Cb 0.51 -2.95 0.04 0.00 -0.53 0.00 0.00 39.78 36.85 1klv n ASN 81 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1klv n ASN 82 N -2.90 -5.61 -4.27 1.20 4.13 -1.26 -4.97 115.26 101.57 1klv n ASN 82 Ca -0.21 -0.42 -0.15 0.00 1.68 0.00 0.00 54.58 55.48 1klv n ASN 82 Cb 0.63 -4.51 -0.10 0.00 -1.54 0.00 0.00 39.78 34.26 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 -3.18 0.53 -0.48 2.41 1.01 0.10 -5.11 120.40 115.68 1klv s VAL 83 Ca 0.43 -1.99 0.06 0.00 0.00 0.00 0.00 61.98 60.48 1klv s VAL 83 Cb -0.20 -2.43 0.22 0.00 0.00 0.00 0.00 36.38 33.97 1klv s VAL 83 CO 0.53 -0.17 0.74 -0.38 0.00 0.00 0.00 175.10 175.81 1klv n ILE 84 N -0.36 -0.22 -1.52 2.22 -0.00 -1.26 -1.94 119.36 116.27 1klv n ILE 84 Ca -0.02 -1.93 -0.30 0.00 -0.00 0.00 0.00 62.75 60.50 1klv n ILE 84 Cb 0.65 0.53 0.10 0.00 -0.00 0.00 0.00 39.64 40.92 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 0.39 1.91 1.03 0.38 0.04 -1.26 -5.06 135.00 132.44 1klv s PRO 85 Ca 0.32 0.62 -0.17 0.00 0.04 0.00 0.00 61.00 61.80 1klv s PRO 85 Cb 0.14 -1.90 0.25 0.00 0.04 0.00 0.00 34.50 33.03 1klv s PRO 85 CO -0.17 -1.74 1.07 -0.35 0.04 0.00 0.00 177.00 175.85 1klv n PRO 86 N -3.51 -2.30 -0.28 0.56 -0.04 -1.26 -4.91 135.00 123.26 1klv n PRO 86 Ca 0.07 -1.68 0.02 0.00 -0.04 0.00 0.00 63.50 61.86 1klv n PRO 86 Cb 0.56 -1.39 0.12 0.00 -0.04 0.00 0.00 33.50 32.75 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 -4.28 0.90 -1.25 0.52 -2.24 -1.26 -4.21 114.28 102.45 1klv n THR 87 Ca 0.14 -0.44 -0.29 0.00 -2.27 0.00 0.00 64.05 61.20 1klv n THR 87 Cb 0.53 -0.46 0.05 0.00 -2.10 0.00 0.00 70.33 68.36 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 0.18 7.20 -2.10 3.42 2.88 -1.26 -4.34 113.62 119.61 1klv n SER 88 Ca 0.09 -3.51 -0.09 0.00 -1.33 0.00 0.00 58.87 54.03 1klv n SER 88 Cb 0.56 -1.03 -0.03 0.00 -0.75 0.00 0.00 64.21 62.96 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 -0.34 0.02 -3.01 -1.46 0.00 -1.26 -5.04 120.51 109.42 1klv n ALA 89 Ca 0.50 -0.92 -0.13 0.00 0.00 0.00 0.00 53.44 52.89 1klv n ALA 89 Cb 0.59 0.74 -0.14 0.00 0.00 0.00 0.00 19.45 20.63 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 -2.66 0.05 0.35 0.00 -4.23 -1.26 -1.63 115.64 106.26 1klv s THR 90 Ca 0.17 0.01 0.15 0.00 -1.18 0.00 0.00 61.69 60.84 1klv s THR 90 Cb 0.00 -0.07 0.35 0.00 1.34 0.00 0.00 72.50 74.12 1klv s THR 90 CO 0.12 0.03 1.68 0.24 -0.54 0.00 0.00 174.62 176.16 1klv h MET 91 N 6.33 0.35 -0.36 3.99 2.86 -1.35 0.65 114.93 127.41 1klv h MET 91 Ca -0.28 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.41 1klv h MET 91 Cb 1.19 -0.08 -0.08 0.00 0.06 0.00 0.00 31.60 32.69 1klv h MET 91 CO 0.50 0.23 -0.25 0.78 1.06 0.00 0.00 176.91 179.23 1klv h GLY 92 N 0.36 -0.09 2.00 8.32 0.00 -1.35 0.22 103.07 112.53 1klv h GLY 92 Ca 0.71 0.32 -0.03 0.00 0.00 0.00 0.00 47.33 48.33 1klv h GLY 92 CO -0.53 -0.20 -0.14 0.06 0.00 0.00 0.00 176.54 175.72 1klv h GLN 93 N -0.20 0.00 0.00 4.80 3.07 -1.03 -1.50 115.11 120.24 1klv h GLN 93 Ca 0.17 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.86 1klv h GLN 93 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.03 1klv h GLN 93 CO -0.48 0.14 -0.25 1.37 0.09 0.00 0.00 178.83 179.71 1klv h LEU 94 N 0.00 0.00 -0.22 0.06 8.10 -0.25 -3.15 115.31 119.86 1klv h LEU 94 Ca -0.00 0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.04 1klv h LEU 94 Cb 0.32 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.47 1klv h LEU 94 CO 0.02 0.25 -0.35 0.22 -4.11 0.00 0.00 178.44 174.47 1klv h TYR 95 N 0.00 -0.99 0.00 0.17 3.20 -0.49 0.31 116.97 119.17 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 0.61 0.47 0.00 0.00 1.54 0.00 0.00 36.73 39.35 1klv h TYR 95 CO 0.00 -0.42 0.00 1.96 -1.64 0.00 0.00 178.16 178.06 1klv h GLN 96 N -0.38 0.00 0.00 1.82 4.20 -1.71 -3.04 115.11 116.00 1klv h GLN 96 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1klv h GLN 96 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1klv h GLN 96 CO -0.43 0.00 -0.07 0.93 -0.67 0.00 0.00 178.83 178.60 1klv h GLU 97 N 0.00 0.00 -1.03 1.46 5.08 -0.52 -3.41 114.58 116.16 1klv h GLU 97 Ca 0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 1klv h GLU 97 Cb 0.43 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.40 1klv h GLU 97 CO 0.00 0.00 0.81 0.72 -1.00 0.00 0.00 179.01 179.54 1klv n HIS 98 N -2.61 3.10 -2.08 4.33 8.25 0.53 -4.99 115.22 121.76 1klv n HIS 98 Ca -0.01 -2.75 -0.28 0.00 -0.26 0.00 0.00 57.72 54.42 1klv n HIS 98 Cb 0.04 -1.33 0.05 0.00 1.12 0.00 0.00 29.99 29.87 1klv n HIS 98 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1klv s HIS 99 N -3.61 3.20 0.00 4.41 -3.43 -1.15 -2.59 115.29 112.12 1klv s HIS 99 Ca 0.61 0.81 0.00 0.00 -0.80 0.00 0.00 55.06 55.69 1klv s HIS 99 Cb 0.49 -3.04 0.00 0.00 -1.43 0.00 0.00 32.58 28.59 1klv s HIS 99 CO 0.01 -1.18 0.00 -0.85 -2.00 0.00 0.00 174.74 170.72 1klv n GLU 100 N -2.91 0.00 -2.14 -0.38 0.28 -0.69 -4.87 120.64 109.92 1klv n GLU 100 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 1klv n GLU 100 Cb 0.58 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.45 1klv n GLU 100 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1klv n GLU 101 N -0.52 -5.15 0.00 3.44 1.02 -1.26 -4.10 120.64 114.07 1klv n GLU 101 Ca 0.00 3.65 0.00 0.00 -0.02 0.00 0.00 57.16 60.79 1klv n GLU 101 Cb 0.00 -4.15 0.00 0.00 -0.02 0.00 0.00 31.44 27.27 1klv n GLU 101 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1klv n ASP 102 N 1.93 0.00 -1.87 1.62 8.00 -1.26 -3.06 116.55 121.91 1klv n ASP 102 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 1klv n ASP 102 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.14 1klv n ASP 102 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1klv n PHE 103 N 14.00 0.49 -4.41 1.24 3.01 -1.26 -5.09 117.46 125.43 1klv n PHE 103 Ca 0.00 -1.13 -0.26 0.00 1.01 0.00 0.00 57.45 57.06 1klv n PHE 103 Cb 0.00 -0.19 -0.09 0.00 -0.01 0.00 0.00 39.48 39.19 1klv n PHE 103 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1klv s PHE 104 N -1.52 2.55 0.34 1.38 0.08 -1.17 -4.84 117.98 114.79 1klv s PHE 104 Ca 0.33 -0.60 0.07 0.00 0.12 0.00 0.00 56.93 56.84 1klv s PHE 104 Cb 0.37 -1.79 -0.01 0.00 -0.57 0.00 0.00 43.02 41.02 1klv s PHE 104 CO -0.12 0.37 0.42 -0.48 -0.10 0.00 0.00 175.22 175.31 1klv s LEU 105 N -3.77 3.85 -0.13 -0.37 0.05 -1.08 -1.71 118.68 115.52 1klv s LEU 105 Ca 0.37 -0.29 0.02 0.00 0.05 0.00 0.00 54.13 54.28 1klv s LEU 105 Cb 0.06 -2.58 0.01 0.00 -2.05 0.00 0.00 46.19 41.64 1klv s LEU 105 CO 0.20 -0.41 -0.18 -0.47 -0.55 0.00 0.00 176.35 174.94 1klv s TYR 106 N -2.22 2.31 0.00 3.48 6.14 -1.07 -1.10 117.35 124.89 1klv s TYR 106 Ca 0.44 -1.18 -0.03 0.00 0.64 0.00 0.00 57.07 56.94 1klv s TYR 106 Cb -0.08 -1.63 -0.01 0.00 0.42 0.00 0.00 41.96 40.66 1klv s TYR 106 CO 0.30 -0.59 0.05 0.42 0.64 0.00 0.00 175.55 176.37 1klv s ILE 107 N 1.05 0.08 0.35 3.14 1.01 -0.92 -4.00 121.20 121.91 1klv s ILE 107 Ca -0.04 -0.63 -0.00 0.00 0.00 0.00 0.00 60.65 59.98 1klv s ILE 107 Cb -0.15 -0.28 0.00 0.00 0.01 0.00 0.00 42.46 42.05 1klv s ILE 107 CO -0.04 -0.35 0.45 0.00 0.00 0.00 0.00 174.94 175.00 1klv n ALA 108 N 1.89 -0.16 -2.18 9.38 0.00 -1.04 -1.95 120.51 126.44 1klv n ALA 108 Ca -0.21 -1.67 -0.08 0.00 0.00 0.00 0.00 53.44 51.48 1klv n ALA 108 Cb 0.56 1.34 -0.10 0.00 0.00 0.00 0.00 19.45 21.26 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 -2.99 0.61 0.28 0.00 1.13 -0.99 -1.42 117.35 113.98 1klv s TYR 109 Ca 0.31 -1.08 -0.01 0.00 -1.41 0.00 0.00 57.07 54.88 1klv s TYR 109 Cb -0.00 -0.38 0.00 0.00 -1.10 0.00 0.00 41.96 40.48 1klv s TYR 109 CO 0.22 -0.46 0.39 0.45 -2.51 0.00 0.00 175.55 173.63 1klv n SER 110 N 0.00 -1.07 -0.87 -0.18 2.88 -0.41 -2.13 113.62 111.84 1klv n SER 110 Ca -0.11 -2.56 0.01 0.00 -1.33 0.00 0.00 58.87 54.89 1klv n SER 110 Cb 0.62 2.02 0.20 0.00 -0.75 0.00 0.00 64.21 66.30 1klv n SER 110 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1klv n ASP 111 N -1.74 2.05 -3.64 -3.46 5.75 -1.26 -0.90 116.55 113.36 1klv n ASP 111 Ca 0.01 -3.86 -0.02 0.00 -0.01 0.00 0.00 54.79 50.91 1klv n ASP 111 Cb 0.48 -0.58 -0.02 0.00 -1.03 0.00 0.00 41.12 39.97 1klv n ASP 111 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1klv s GLU 112 N -3.25 0.07 -0.17 0.11 -1.05 -1.26 -4.75 118.70 108.40 1klv s GLU 112 Ca 0.41 -0.03 0.06 0.00 -0.15 0.00 0.00 54.97 55.27 1klv s GLU 112 Cb 0.39 0.03 0.20 0.00 -0.44 0.00 0.00 34.13 34.31 1klv s GLU 112 CO -0.04 -0.03 1.27 0.45 0.95 0.00 0.00 175.26 177.86 1klv n SER 113 N -0.04 -1.23 -4.19 0.83 2.88 -1.26 -4.94 113.62 105.67 1klv n SER 113 Ca 0.04 -2.10 -0.34 0.00 -1.33 0.00 0.00 58.87 55.13 1klv n SER 113 Cb 0.57 0.49 0.13 0.00 -0.75 0.00 0.00 64.21 64.65 1klv n SER 113 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1klv n VAL 114 N -0.77 0.00 -1.55 2.46 3.14 -1.26 -4.55 118.33 115.81 1klv n VAL 114 Ca -0.23 -0.21 -0.20 0.00 -2.96 0.00 0.00 64.34 60.74 1klv n VAL 114 Cb 0.79 -0.42 -0.08 0.00 -1.06 0.00 0.00 33.84 33.07 1klv n VAL 114 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1klv n TYR 115 N -4.12 1.07 -2.17 1.45 9.36 -1.26 -4.79 117.16 116.70 1klv n TYR 115 Ca -0.00 0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.24 1klv n TYR 115 Cb 0.66 -2.38 0.00 0.00 -0.63 0.00 0.00 39.34 36.99 1klv n TYR 115 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1klv n GLY 116 N 6.49 5.43 0.82 2.98 0.00 -1.26 -5.35 105.19 114.31 1klv n GLY 116 Ca 0.48 -1.35 0.13 0.00 0.00 0.00 0.00 46.02 45.27 1klv n GLY 116 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79