#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 0.17 0.14 1.61 5.08 -2.04 0.28 114.58 119.82 1klv h GLU 19 Ca 0.00 -0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 58.06 1klv h GLU 19 Cb 0.00 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.24 1klv h GLU 19 CO 0.00 0.11 -1.26 -0.22 -1.00 0.00 0.00 179.01 176.64 1klv h LYS 20 N 0.17 0.52 0.00 2.33 1.63 -2.02 -2.99 116.57 116.20 1klv h LYS 20 Ca 0.61 -0.74 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1klv h LYS 20 Cb 2.00 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 33.89 1klv h LYS 20 CO -0.17 1.33 0.00 0.82 -3.45 0.00 0.00 179.45 177.98 1klv h ILE 21 N 0.21 0.00 0.08 2.00 1.08 -0.84 -2.43 117.51 117.61 1klv h ILE 21 Ca -0.18 -0.01 -0.30 0.00 -0.39 0.00 0.00 64.86 63.98 1klv h ILE 21 Cb 1.94 0.99 -0.02 0.00 -3.07 0.00 0.00 36.82 36.66 1klv h ILE 21 CO 0.23 0.00 -1.62 0.03 -0.69 0.00 0.00 178.15 176.10 1klv h ARG 22 N 0.00 0.17 -0.74 2.37 -0.00 -1.40 0.25 114.38 115.02 1klv h ARG 22 Ca 0.00 -0.29 0.11 0.00 -0.50 0.00 0.00 59.98 59.30 1klv h ARG 22 Cb 0.01 0.11 -0.08 0.00 0.00 0.00 0.00 29.97 30.01 1klv h ARG 22 CO 0.00 1.14 0.35 -0.22 0.00 0.00 0.00 179.97 181.25 1klv h LYS 23 N -0.37 0.56 0.02 0.04 3.64 -1.30 0.87 116.57 120.03 1klv h LYS 23 Ca -0.37 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 58.81 1klv h LYS 23 Cb 1.73 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 33.41 1klv h LYS 23 CO -0.02 0.37 -0.84 0.87 -2.27 0.00 0.00 179.45 177.55 1klv h LYS 24 N 0.57 0.05 -2.30 1.90 1.57 -1.62 -3.39 116.57 113.35 1klv h LYS 24 Ca 0.38 -0.08 -0.64 0.00 -1.87 0.00 0.00 60.65 58.44 1klv h LYS 24 Cb 0.47 0.03 -0.39 0.00 0.08 0.00 0.00 32.23 32.42 1klv h LYS 24 CO -0.31 1.04 -0.26 0.66 -0.57 0.00 0.00 179.45 180.01 1klv n TYR 25 N -4.40 3.66 0.28 -1.35 4.01 0.07 -4.80 117.16 114.64 1klv n TYR 25 Ca -0.23 -3.70 0.17 0.00 -0.16 0.00 0.00 57.90 53.98 1klv n TYR 25 Cb 0.65 -0.67 0.69 0.00 -0.31 0.00 0.00 39.34 39.70 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 3.56 0.00 -0.33 -0.72 0.13 0.68 -2.77 132.00 132.55 1klv h PRO 26 Ca 0.22 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.24 1klv h PRO 26 Cb 0.51 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.57 1klv h PRO 26 CO 0.92 0.00 -0.01 -3.47 -0.23 0.00 0.00 178.00 175.21 1klv n ASP 27 N -3.07 3.19 -4.80 1.44 2.03 -1.26 -5.01 116.55 109.07 1klv n ASP 27 Ca 0.01 -3.39 -0.33 0.00 0.52 0.00 0.00 54.79 51.59 1klv n ASP 27 Cb 0.30 -0.60 -0.06 0.00 -0.72 0.00 0.00 41.12 40.04 1klv n ASP 27 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1klv s ARG 28 N -3.04 2.23 -0.17 -0.67 3.00 -1.05 -2.79 118.95 116.47 1klv s ARG 28 Ca 0.44 -2.41 -0.05 0.00 0.00 0.00 0.00 55.73 53.71 1klv s ARG 28 Cb 0.38 -1.58 0.08 0.00 0.00 0.00 0.00 34.95 33.83 1klv s ARG 28 CO 0.05 -0.44 0.30 0.08 0.00 0.00 0.00 175.30 175.28 1klv s VAL 29 N -2.90 -0.46 -0.99 3.52 1.01 0.20 -4.51 120.40 116.28 1klv s VAL 29 Ca 0.04 0.15 -0.23 0.00 0.00 0.00 0.00 61.98 61.94 1klv s VAL 29 Cb -0.00 -0.57 0.04 0.00 0.00 0.00 0.00 36.38 35.85 1klv s VAL 29 CO 0.03 0.02 1.47 -2.16 0.00 0.00 0.00 175.10 174.46 1klv s PRO 30 N 2.45 3.49 0.06 2.72 0.04 -1.26 -2.66 135.00 139.85 1klv s PRO 30 Ca 0.03 -0.98 -0.20 0.00 0.04 0.00 0.00 61.00 59.89 1klv s PRO 30 Cb -0.13 -5.23 -0.06 0.00 0.04 0.00 0.00 34.50 29.11 1klv s PRO 30 CO -0.11 -2.27 0.60 0.14 0.04 0.00 0.00 177.00 175.40 1klv s VAL 31 N 5.36 4.74 0.19 -0.36 -7.23 -0.57 -2.65 120.40 119.88 1klv s VAL 31 Ca 0.47 1.28 -0.03 0.00 -1.81 0.00 0.00 61.98 61.89 1klv s VAL 31 Cb -0.01 -3.94 -0.05 0.00 0.56 0.00 0.00 36.38 32.94 1klv s VAL 31 CO -0.07 0.51 0.40 -0.63 -0.31 0.00 0.00 175.10 175.00 1klv s ILE 32 N -0.87 5.18 0.00 -0.62 -1.09 -0.18 -1.68 121.20 121.94 1klv s ILE 32 Ca 0.30 -0.18 0.03 0.00 -2.23 0.00 0.00 60.65 58.57 1klv s ILE 32 Cb -0.20 -3.69 -0.01 0.00 -1.58 0.00 0.00 42.46 36.98 1klv s ILE 32 CO 0.19 -0.11 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.02 1klv s VAL 33 N -1.81 0.68 0.00 2.92 1.01 -0.32 -1.40 120.40 121.49 1klv s VAL 33 Ca 0.40 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1klv s VAL 33 Cb -0.11 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1klv s VAL 33 CO 0.28 0.09 0.00 1.21 0.00 0.00 0.00 175.10 176.68 1klv n GLU 34 N 2.60 0.00 -4.39 2.72 2.13 0.41 -4.63 120.64 119.47 1klv n GLU 34 Ca -0.15 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.47 1klv n GLU 34 Cb 0.57 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.18 1klv n GLU 34 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1klv s LYS 35 N -1.03 1.46 0.00 5.31 2.47 -1.26 -2.31 119.74 124.39 1klv s LYS 35 Ca 0.00 -1.67 0.00 0.00 -1.56 0.00 0.00 55.97 52.74 1klv s LYS 35 Cb 0.00 -1.31 0.00 0.00 -1.46 0.00 0.00 37.83 35.06 1klv s LYS 35 CO 0.00 0.20 0.00 0.00 0.16 0.00 0.00 175.35 175.71 1klv n ALA 36 N -0.48 0.00 -2.27 3.13 0.00 -0.92 -4.75 120.51 115.23 1klv n ALA 36 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 1klv n ALA 36 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 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 -2.34 4.27 -1.56 0.00 0.04 -1.26 -3.47 135.00 130.68 1klv s PRO 37 Ca 0.00 1.90 -0.01 0.00 0.04 0.00 0.00 61.00 62.93 1klv s PRO 37 Cb 0.00 -3.66 0.01 0.00 0.04 0.00 0.00 34.50 30.90 1klv s PRO 37 CO 0.00 -0.61 0.05 0.36 0.04 0.00 0.00 177.00 176.84 1klv n LYS 38 N 5.78 -1.09 -0.68 4.56 2.85 -1.26 -4.90 118.16 123.42 1klv n LYS 38 Ca 0.13 0.11 -0.28 0.00 -1.05 0.00 0.00 58.31 57.23 1klv n LYS 38 Cb 0.44 -3.69 0.25 0.00 -0.65 0.00 0.00 35.03 31.38 1klv n LYS 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1klv n ALA 39 N -4.55 -3.83 -2.56 0.58 0.00 -1.23 -5.01 120.51 103.91 1klv n ALA 39 Ca -0.31 -1.48 -0.01 0.00 0.00 0.00 0.00 53.44 51.64 1klv n ALA 39 Cb 0.69 -0.11 0.05 0.00 0.00 0.00 0.00 19.45 20.07 1klv n ALA 39 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1klv n ARG 40 N -4.96 0.95 -2.22 0.00 1.85 -1.26 -5.04 116.66 105.98 1klv n ARG 40 Ca 0.14 -2.00 -0.27 0.00 -1.00 0.00 0.00 57.85 54.71 1klv n ARG 40 Cb 0.55 -0.25 0.15 0.00 -1.05 0.00 0.00 32.46 31.87 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 -1.10 2.06 0.86 8.89 -5.25 -1.26 -4.96 121.20 120.44 1klv s ILE 41 Ca 0.17 -0.26 -0.09 0.00 -0.99 0.00 0.00 60.65 59.48 1klv s ILE 41 Cb 0.31 -2.80 0.15 0.00 2.95 0.00 0.00 42.46 43.07 1klv s ILE 41 CO -0.08 0.00 0.33 0.61 -1.79 0.00 0.00 174.94 174.01 1klv n GLY 42 N -3.36 -1.57 3.52 6.27 0.00 -1.08 -4.96 105.19 104.01 1klv n GLY 42 Ca 0.15 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.54 -0.77 -3.90 1.61 -0.08 -1.24 -4.77 116.55 106.84 1klv n ASP 43 Ca 0.05 -1.32 -0.17 0.00 -1.51 0.00 0.00 54.79 51.84 1klv n ASP 43 Cb 0.23 -0.96 -0.15 0.00 2.34 0.00 0.00 41.12 42.58 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 1.62 -0.04 -2.67 2.01 -1.26 -3.69 118.68 114.66 1klv s LEU 44 Ca 0.70 -0.08 -0.04 0.00 0.01 0.00 0.00 54.13 54.72 1klv s LEU 44 Cb -0.04 -0.29 -0.28 0.00 0.01 0.00 0.00 46.19 45.59 1klv s LEU 44 CO 0.51 -0.01 0.69 -0.78 1.01 0.00 0.00 176.35 177.77 1klv h ASP 45 N 6.63 0.40 -5.03 2.29 3.58 -1.93 -3.48 116.42 118.88 1klv h ASP 45 Ca -0.35 -0.66 -0.08 0.00 0.42 0.00 0.00 57.03 56.37 1klv h ASP 45 Cb 1.17 -0.13 -0.17 0.00 1.72 0.00 0.00 39.33 41.92 1klv h ASP 45 CO 0.49 1.56 -0.12 -0.54 -2.88 0.00 0.00 179.24 177.75 1klv s LYS 46 N -2.59 0.90 -0.43 0.28 3.01 -1.26 -5.06 119.74 114.58 1klv s LYS 46 Ca -0.13 -0.36 0.05 0.00 -1.01 0.00 0.00 55.97 54.52 1klv s LYS 46 Cb 0.07 0.40 0.43 0.00 -1.01 0.00 0.00 37.83 37.72 1klv s LYS 46 CO 0.83 -0.30 1.24 1.63 0.51 0.00 0.00 175.35 179.26 1klv n LYS 47 N 0.55 3.41 -3.15 1.68 4.01 -1.26 -4.93 118.16 118.47 1klv n LYS 47 Ca -0.19 -4.28 0.04 0.00 -0.51 0.00 0.00 58.31 53.38 1klv n LYS 47 Cb 0.60 -2.26 -0.01 0.00 -0.51 0.00 0.00 35.03 32.84 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 -3.61 0.44 -0.08 1.97 -2.85 -1.26 -1.17 119.74 113.18 1klv s LYS 48 Ca 0.50 0.77 -0.01 0.00 -1.00 0.00 0.00 55.97 56.23 1klv s LYS 48 Cb 0.41 0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 36.57 1klv s LYS 48 CO -0.13 -0.49 -0.02 0.71 0.10 0.00 0.00 175.35 175.52 1klv s TYR 49 N 2.89 3.08 -0.44 1.78 1.51 -0.68 -4.96 117.35 120.54 1klv s TYR 49 Ca 0.14 0.12 -0.05 0.00 -1.01 0.00 0.00 57.07 56.27 1klv s TYR 49 Cb -0.13 -1.77 0.12 0.00 -0.11 0.00 0.00 41.96 40.06 1klv s TYR 49 CO -0.18 0.41 0.26 -1.17 -1.11 0.00 0.00 175.55 173.76 1klv s LEU 50 N -0.81 5.42 0.21 -1.29 2.96 -1.26 -1.50 118.68 122.40 1klv s LEU 50 Ca 0.12 -2.02 0.08 0.00 -0.22 0.00 0.00 54.13 52.09 1klv s LEU 50 Cb -0.11 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 1klv s LEU 50 CO 0.02 -0.59 -0.15 0.68 -1.32 0.00 0.00 176.35 174.99 1klv s VAL 51 N 1.17 1.79 0.45 1.68 -7.23 -1.09 -4.86 120.40 112.31 1klv s VAL 51 Ca 0.08 -2.23 -0.24 0.00 -1.81 0.00 0.00 61.98 57.78 1klv s VAL 51 Cb -0.24 -2.06 -0.08 0.00 0.56 0.00 0.00 36.38 34.56 1klv s VAL 51 CO -0.03 -0.58 1.23 -2.16 -0.31 0.00 0.00 175.10 173.24 1klv s PRO 52 N -3.64 3.79 0.25 4.82 0.04 -1.26 0.62 135.00 139.62 1klv s PRO 52 Ca 0.23 1.94 0.20 0.00 0.04 0.00 0.00 61.00 63.41 1klv s PRO 52 Cb -0.01 -2.53 0.96 0.00 0.04 0.00 0.00 34.50 32.96 1klv s PRO 52 CO 0.07 -0.57 1.60 0.43 0.04 0.00 0.00 177.00 178.56 1klv n SER 53 N -0.29 0.51 0.01 6.66 7.64 -1.12 -1.67 113.62 125.35 1klv n SER 53 Ca 0.06 0.69 0.13 0.00 1.01 0.00 0.00 58.87 60.77 1klv n SER 53 Cb 0.46 -0.77 0.47 0.00 -1.01 0.00 0.00 64.21 63.36 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 -2.13 0.23 -4.77 6.43 2.03 -1.26 -1.15 116.55 115.92 1klv n ASP 54 Ca 0.00 0.23 -0.40 0.00 0.52 0.00 0.00 54.79 55.14 1klv n ASP 54 Cb 0.10 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 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 -3.10 4.25 0.57 -2.67 1.43 -0.67 -4.86 118.68 113.62 1klv s LEU 55 Ca 0.13 2.90 -0.01 0.00 -1.03 0.00 0.00 54.13 56.12 1klv s LEU 55 Cb 0.18 -3.79 0.03 0.00 0.03 0.00 0.00 46.19 42.65 1klv s LEU 55 CO 0.60 -0.92 0.82 0.42 0.23 0.00 0.00 176.35 177.49 1klv s THR 56 N -1.17 2.78 0.51 5.49 -4.23 -1.26 -1.18 115.64 116.58 1klv s THR 56 Ca 0.56 -0.54 0.24 0.00 -1.18 0.00 0.00 61.69 60.77 1klv s THR 56 Cb -0.43 -3.07 0.30 0.00 1.34 0.00 0.00 72.50 70.63 1klv s THR 56 CO 0.57 -0.06 2.15 0.58 -0.54 0.00 0.00 174.62 177.32 1klv h VAL 57 N -0.04 0.71 -0.37 2.29 2.07 -1.56 -2.29 116.25 117.07 1klv h VAL 57 Ca -0.43 -0.25 -0.16 0.00 0.82 0.00 0.00 66.70 66.68 1klv h VAL 57 Cb 1.29 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1klv h VAL 57 CO 0.55 0.06 -0.40 1.23 0.02 0.00 0.00 177.57 179.03 1klv h GLY 58 N 0.32 0.99 0.69 2.17 0.00 -1.87 -1.71 103.07 103.66 1klv h GLY 58 Ca -0.00 -1.02 -0.02 0.00 0.00 0.00 0.00 47.33 46.29 1klv h GLY 58 CO 0.01 0.92 -0.02 1.46 0.00 0.00 0.00 176.54 178.91 1klv h GLN 59 N 0.74 0.15 -0.35 4.80 1.08 -1.80 -3.05 115.11 116.68 1klv h GLN 59 Ca 0.06 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1klv h GLN 59 Cb 0.99 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.40 1klv h GLN 59 CO 0.10 0.49 0.22 0.35 -0.95 0.00 0.00 178.83 179.03 1klv h PHE 60 N -0.20 0.45 -0.34 2.96 3.57 -1.53 -0.44 116.94 121.41 1klv h PHE 60 Ca 0.02 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.62 1klv h PHE 60 Cb 0.43 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1klv h PHE 60 CO 0.06 0.31 0.55 -0.92 -2.23 0.00 0.00 178.31 176.07 1klv h TYR 61 N 0.47 0.00 0.01 0.41 5.03 -1.27 -0.53 116.97 121.08 1klv h TYR 61 Ca 0.13 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.44 1klv h TYR 61 Cb -0.02 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.26 1klv h TYR 61 CO -0.05 0.00 -0.01 0.35 -1.32 0.00 0.00 178.16 177.14 1klv h PHE 62 N 0.00 -0.01 0.00 -3.82 3.04 -0.97 -2.64 116.94 112.54 1klv h PHE 62 Ca 0.16 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.11 1klv h PHE 62 Cb 1.26 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.78 1klv h PHE 62 CO 0.00 0.76 0.00 1.37 -2.02 0.00 0.00 178.31 178.42 1klv h LEU 63 N -0.95 0.00 0.10 0.59 8.10 -0.89 -2.79 115.31 119.46 1klv h LEU 63 Ca -0.00 0.00 -0.36 0.00 0.11 0.00 0.00 57.88 57.62 1klv h LEU 63 Cb 0.78 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.98 1klv h LEU 63 CO 0.00 0.00 -2.06 -0.38 -4.11 0.00 0.00 178.44 171.90 1klv n ILE 64 N -2.74 1.73 -0.17 0.15 5.41 -0.90 -3.92 119.36 118.91 1klv n ILE 64 Ca -0.01 -0.66 -0.05 0.00 1.00 0.00 0.00 62.75 63.04 1klv n ILE 64 Cb 0.13 -1.63 -0.04 0.00 -0.71 0.00 0.00 39.64 37.39 1klv n ILE 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1klv n ARG 65 N -3.41 -0.18 0.15 0.38 1.74 -0.99 0.13 116.66 114.48 1klv n ARG 65 Ca -0.33 0.98 0.03 0.00 -0.77 0.00 0.00 57.85 57.76 1klv n ARG 65 Cb 1.04 -1.45 0.43 0.00 -1.02 0.00 0.00 32.46 31.45 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 0.16 0.00 5.56 1.57 -1.77 -1.22 116.57 120.88 1klv h LYS 66 Ca 0.07 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1klv h LYS 66 Cb 0.17 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1klv h LYS 66 CO -0.39 0.31 0.00 0.00 -0.57 0.00 0.00 179.45 178.81 1klv h ARG 67 N 0.16 0.00 -0.58 3.15 2.47 0.10 -1.61 114.38 118.08 1klv h ARG 67 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1klv h ARG 67 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 1klv h ARG 67 CO 0.02 0.00 0.00 -0.89 0.56 0.00 0.00 179.97 179.66 1klv n ILE 68 N -2.58 0.76 -2.44 2.04 2.08 0.91 -3.76 119.36 116.38 1klv n ILE 68 Ca 0.01 -0.82 -0.18 0.00 0.56 0.00 0.00 62.75 62.32 1klv n ILE 68 Cb 0.22 0.54 -0.01 0.00 -0.75 0.00 0.00 39.64 39.64 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 1.36 -1.17 -4.37 1.39 -0.00 -0.61 -2.63 115.22 109.20 1klv n HIS 69 Ca 0.21 0.02 -0.27 0.00 0.46 0.00 0.00 57.72 58.14 1klv n HIS 69 Cb 0.55 -3.57 -0.11 0.00 -0.12 0.00 0.00 29.99 26.74 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 -5.92 2.68 0.00 0.27 0.05 -1.19 -4.68 118.68 109.89 1klv s LEU 70 Ca 0.01 -0.76 0.00 0.00 0.05 0.00 0.00 54.13 53.43 1klv s LEU 70 Cb -0.00 -1.37 0.00 0.00 -2.05 0.00 0.00 46.19 42.76 1klv s LEU 70 CO 0.01 0.11 0.00 -2.11 -0.55 0.00 0.00 176.35 173.81 1klv n ARG 71 N 0.08 0.00 0.00 1.48 1.85 -1.26 -4.39 116.66 114.42 1klv n ARG 71 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.74 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 -2.73 2.89 0.00 -1.26 -1.57 120.51 114.84 1klv n ALA 72 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1klv n ALA 72 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 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 1.37 -1.35 0.00 -0.00 -1.26 -5.11 120.64 114.29 1klv n GLU 73 Ca 0.00 -3.13 -0.30 0.00 -0.00 0.00 0.00 57.16 53.73 1klv n GLU 73 Cb 0.00 -1.20 0.21 0.00 -0.00 0.00 0.00 31.44 30.45 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 -3.12 1.87 -0.09 -1.84 -1.08 -0.61 -5.04 116.67 106.76 1klv s ASP 74 Ca 0.26 0.62 -0.03 0.00 -0.52 0.00 0.00 52.55 52.88 1klv s ASP 74 Cb 0.40 -0.89 -0.03 0.00 -1.46 0.00 0.00 42.92 40.94 1klv s ASP 74 CO -0.01 -3.53 0.03 0.00 0.52 0.00 0.00 175.17 172.18 1klv s ALA 75 N -3.25 3.42 -0.05 3.66 0.00 -1.26 -4.98 121.76 119.30 1klv s ALA 75 Ca 0.70 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 51.59 1klv s ALA 75 Cb -0.10 -1.58 0.10 0.00 0.00 0.00 0.00 23.12 21.54 1klv s ALA 75 CO 0.55 0.60 0.81 -1.17 0.00 0.00 0.00 175.76 176.56 1klv s LEU 76 N -0.96 -0.50 -0.27 0.00 2.96 -1.26 -4.50 118.68 114.14 1klv s LEU 76 Ca 0.14 0.38 -0.09 0.00 -0.22 0.00 0.00 54.13 54.34 1klv s LEU 76 Cb -0.11 2.22 0.12 0.00 0.50 0.00 0.00 46.19 48.92 1klv s LEU 76 CO 0.03 -0.57 0.59 -0.36 -1.32 0.00 0.00 176.35 174.72 1klv s PHE 77 N -1.88 -1.21 0.06 5.38 0.08 -0.15 -4.94 117.98 115.32 1klv s PHE 77 Ca -0.03 2.13 -0.26 0.00 0.12 0.00 0.00 56.93 58.88 1klv s PHE 77 Cb -0.00 0.68 -0.06 0.00 -0.57 0.00 0.00 43.02 43.07 1klv s PHE 77 CO 0.01 -0.62 0.82 -0.06 -0.10 0.00 0.00 175.22 175.26 1klv s PHE 78 N 2.83 3.76 -0.15 0.36 0.08 -1.26 -2.47 117.98 121.13 1klv s PHE 78 Ca -0.05 1.56 0.02 0.00 0.12 0.00 0.00 56.93 58.58 1klv s PHE 78 Cb -0.12 -2.88 0.01 0.00 -0.57 0.00 0.00 43.02 39.46 1klv s PHE 78 CO -0.17 0.26 -0.20 -0.06 -0.10 0.00 0.00 175.22 174.95 1klv s PHE 79 N -0.07 2.55 -0.18 0.36 0.08 -0.30 -4.76 117.98 115.66 1klv s PHE 79 Ca 0.41 -1.35 0.01 0.00 0.12 0.00 0.00 56.93 56.11 1klv s PHE 79 Cb -0.21 -1.76 0.02 0.00 -0.57 0.00 0.00 43.02 40.49 1klv s PHE 79 CO 0.25 -0.65 -0.19 0.08 -0.10 0.00 0.00 175.22 174.61 1klv s VAL 80 N 1.02 2.01 -1.54 -0.44 1.01 -0.81 -2.61 120.40 119.04 1klv s VAL 80 Ca -0.03 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 60.89 1klv s VAL 80 Cb -0.15 -1.82 0.10 0.00 0.00 0.00 0.00 36.38 34.51 1klv s VAL 80 CO -0.05 0.52 0.83 -3.20 0.00 0.00 0.00 175.10 173.20 1klv n ASN 81 N 4.63 -4.27 -2.34 3.32 5.15 -1.26 -0.17 115.26 120.32 1klv n ASN 81 Ca -0.20 -0.76 -0.17 0.00 -0.60 0.00 0.00 54.58 52.85 1klv n ASN 81 Cb 0.50 -3.45 0.03 0.00 -0.53 0.00 0.00 39.78 36.33 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 -2.67 -5.04 -4.28 1.20 3.02 -1.26 -5.00 115.26 101.23 1klv n ASN 82 Ca 0.04 -0.22 -0.15 0.00 -0.03 0.00 0.00 54.58 54.22 1klv n ASN 82 Cb 0.52 -3.89 -0.10 0.00 -0.61 0.00 0.00 39.78 35.70 1klv n ASN 82 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1klv s VAL 83 N -3.02 0.50 -0.47 2.41 1.01 0.76 -5.11 120.40 116.48 1klv s VAL 83 Ca 0.23 -1.99 0.06 0.00 0.00 0.00 0.00 61.98 60.28 1klv s VAL 83 Cb -0.10 -2.47 0.23 0.00 0.00 0.00 0.00 36.38 34.03 1klv s VAL 83 CO 0.29 -0.14 0.74 -0.38 0.00 0.00 0.00 175.10 175.61 1klv n ILE 84 N -0.37 -0.24 -1.43 2.22 -0.00 -1.26 -1.92 119.36 116.36 1klv n ILE 84 Ca -0.02 -2.06 -0.30 0.00 -0.00 0.00 0.00 62.75 60.38 1klv n ILE 84 Cb 0.65 0.45 0.11 0.00 -0.00 0.00 0.00 39.64 40.86 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 0.30 1.65 1.14 0.38 0.04 -1.26 -5.05 135.00 132.21 1klv s PRO 85 Ca 0.32 0.65 -0.19 0.00 0.04 0.00 0.00 61.00 61.83 1klv s PRO 85 Cb 0.16 -1.87 0.27 0.00 0.04 0.00 0.00 34.50 33.09 1klv s PRO 85 CO -0.18 -1.93 1.18 -1.25 0.04 0.00 0.00 177.00 174.86 1klv s PRO 86 N -5.09 -0.75 -0.10 0.56 0.04 -1.26 -4.91 135.00 123.48 1klv s PRO 86 Ca 0.62 -0.20 0.05 0.00 0.04 0.00 0.00 61.00 61.51 1klv s PRO 86 Cb -0.16 -1.66 0.30 0.00 0.04 0.00 0.00 34.50 33.02 1klv s PRO 86 CO 0.55 -3.38 1.04 0.25 0.04 0.00 0.00 177.00 175.50 1klv n THR 87 N -4.49 1.18 -1.02 1.26 -2.24 -1.26 -4.26 114.28 103.44 1klv n THR 87 Ca 0.14 -0.56 -0.23 0.00 -2.27 0.00 0.00 64.05 61.13 1klv n THR 87 Cb 0.60 -0.48 0.05 0.00 -2.10 0.00 0.00 70.33 68.40 1klv n THR 87 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1klv n SER 88 N 0.18 6.79 -1.63 3.42 3.41 -1.26 -4.21 113.62 120.32 1klv n SER 88 Ca 0.13 -3.30 -0.05 0.00 -0.26 0.00 0.00 58.87 55.38 1klv n SER 88 Cb 0.67 -1.02 -0.01 0.00 -0.26 0.00 0.00 64.21 63.58 1klv n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1klv n ALA 89 N -0.09 0.01 -2.90 7.33 0.00 -1.26 -5.05 120.51 118.55 1klv n ALA 89 Ca 0.41 -0.52 -0.11 0.00 0.00 0.00 0.00 53.44 53.21 1klv n ALA 89 Cb 0.63 0.42 -0.12 0.00 0.00 0.00 0.00 19.45 20.37 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 -2.50 0.17 0.31 0.00 -4.23 -1.26 -1.93 115.64 106.20 1klv s THR 90 Ca 0.10 -0.58 0.06 0.00 -1.18 0.00 0.00 61.69 60.09 1klv s THR 90 Cb 0.00 -0.24 0.30 0.00 1.34 0.00 0.00 72.50 73.90 1klv s THR 90 CO 0.07 -0.26 1.78 0.24 -0.54 0.00 0.00 174.62 175.91 1klv h MET 91 N 5.24 0.74 -0.41 3.99 2.86 -1.31 -0.59 114.93 125.44 1klv h MET 91 Ca -0.30 -0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.38 1klv h MET 91 Cb 1.21 -0.17 -0.08 0.00 0.06 0.00 0.00 31.60 32.62 1klv h MET 91 CO 0.45 0.49 -0.10 0.78 1.06 0.00 0.00 176.91 179.59 1klv h GLY 92 N 0.76 0.30 2.00 8.32 0.00 -1.34 0.31 103.07 113.42 1klv h GLY 92 Ca 0.57 0.13 -0.03 0.00 0.00 0.00 0.00 47.33 48.00 1klv h GLY 92 CO -0.37 -0.15 -0.15 0.06 0.00 0.00 0.00 176.54 175.93 1klv h GLN 93 N 0.00 0.00 0.00 4.80 -0.00 -1.27 -1.59 115.11 117.06 1klv h GLN 93 Ca 0.20 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.80 1klv h GLN 93 Cb 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.77 1klv h GLN 93 CO -0.42 0.15 -0.25 1.37 -0.00 0.00 0.00 178.83 179.68 1klv h LEU 94 N 0.00 0.00 -0.26 0.06 8.10 0.09 -3.18 115.31 120.12 1klv h LEU 94 Ca -0.00 0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.05 1klv h LEU 94 Cb 0.34 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.49 1klv h LEU 94 CO 0.02 0.25 -0.38 0.22 -4.11 0.00 0.00 178.44 174.44 1klv h TYR 95 N 0.00 -1.08 0.00 0.17 3.20 -0.55 0.30 116.97 119.01 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 0.64 0.51 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1klv h TYR 95 CO 0.00 -0.43 0.00 1.96 -1.64 0.00 0.00 178.16 178.05 1klv h GLN 96 N -0.37 0.00 0.00 1.82 4.20 -1.73 -2.99 115.11 116.04 1klv h GLN 96 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1klv h GLN 96 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1klv h GLN 96 CO -0.47 0.00 -0.11 0.93 -0.67 0.00 0.00 178.83 178.51 1klv h GLU 97 N 0.00 0.00 -1.05 1.46 5.08 -0.54 -3.41 114.58 116.12 1klv h GLU 97 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 1klv h GLU 97 Cb 0.46 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.44 1klv h GLU 97 CO 0.00 0.00 0.76 0.72 -1.00 0.00 0.00 179.01 179.49 1klv n HIS 98 N -2.92 2.97 -1.12 4.33 8.25 0.43 -4.99 115.22 122.18 1klv n HIS 98 Ca -0.02 -2.55 -0.29 0.00 -0.26 0.00 0.00 57.72 54.60 1klv n HIS 98 Cb 0.06 -1.24 0.17 0.00 1.12 0.00 0.00 29.99 30.10 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 -3.41 2.09 -0.14 4.41 -3.43 -1.13 -2.66 115.29 111.03 1klv s HIS 99 Ca 0.58 1.10 -0.34 0.00 -0.80 0.00 0.00 55.06 55.60 1klv s HIS 99 Cb 0.47 -3.22 0.14 0.00 -1.43 0.00 0.00 32.58 28.53 1klv s HIS 99 CO 0.02 -2.84 1.30 -1.21 -2.00 0.00 0.00 174.74 170.02 1klv s GLU 100 N -4.91 0.25 2.81 -0.38 2.02 -0.87 -4.75 118.70 112.87 1klv s GLU 100 Ca 0.65 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.52 1klv s GLU 100 Cb -0.19 0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.14 1klv s GLU 100 CO 0.58 -0.11 0.00 -1.91 0.02 0.00 0.00 175.26 173.84 1klv n GLU 101 N -0.27 0.00 0.00 1.61 4.07 -1.26 -4.16 120.64 120.63 1klv n GLU 101 Ca -0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.07 1klv n GLU 101 Cb 0.60 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.98 1klv n GLU 101 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1klv n ASP 102 N 3.44 0.00 -1.05 4.31 8.00 -1.26 -4.82 116.55 125.17 1klv n ASP 102 Ca 0.00 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.58 1klv n ASP 102 Cb 0.00 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.35 1klv n ASP 102 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1klv n PHE 103 N 0.00 0.92 -2.89 1.24 1.16 -1.26 -4.98 117.46 111.65 1klv n PHE 103 Ca 0.00 -0.61 -0.13 0.00 -1.87 0.00 0.00 57.45 54.84 1klv n PHE 103 Cb 0.00 -0.14 0.05 0.00 -1.61 0.00 0.00 39.48 37.78 1klv n PHE 103 CO 0.00 0.00 0.00 1.97 -1.87 0.00 0.00 176.76 176.86 1klv n PHE 104 N 0.63 -2.68 -4.08 2.97 1.16 -1.26 -4.91 117.46 109.28 1klv n PHE 104 Ca 0.19 -1.31 -0.24 0.00 -1.87 0.00 0.00 57.45 54.23 1klv n PHE 104 Cb 0.68 -0.38 -0.07 0.00 -1.61 0.00 0.00 39.48 38.10 1klv n PHE 104 CO 0.00 0.00 0.00 -0.48 -1.87 0.00 0.00 176.76 174.41 1klv s LEU 105 N 0.00 3.17 -0.06 5.98 0.05 -1.09 -2.05 118.68 124.68 1klv s LEU 105 Ca 0.40 -0.96 0.05 0.00 0.05 0.00 0.00 54.13 53.67 1klv s LEU 105 Cb -0.03 -1.57 -0.00 0.00 -2.05 0.00 0.00 46.19 42.54 1klv s LEU 105 CO 0.26 -0.47 -0.22 -0.47 -0.55 0.00 0.00 176.35 174.90 1klv s TYR 106 N -2.54 2.21 -0.01 3.48 6.14 -1.09 -1.01 117.35 124.54 1klv s TYR 106 Ca 0.40 -0.73 0.00 0.00 0.64 0.00 0.00 57.07 57.39 1klv s TYR 106 Cb 0.01 -1.47 0.01 0.00 0.42 0.00 0.00 41.96 40.93 1klv s TYR 106 CO 0.23 -0.25 -0.01 0.42 0.64 0.00 0.00 175.55 176.58 1klv s ILE 107 N 0.06 0.10 0.01 3.14 1.01 -0.49 -4.38 121.20 120.64 1klv s ILE 107 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.57 1klv s ILE 107 Cb -0.14 -0.13 -0.01 0.00 0.01 0.00 0.00 42.46 42.19 1klv s ILE 107 CO 0.04 0.06 -0.03 0.00 0.00 0.00 0.00 174.94 175.02 1klv s ALA 108 N 0.27 0.15 0.32 9.38 0.00 -1.07 -0.45 121.76 130.36 1klv s ALA 108 Ca -0.02 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.63 1klv s ALA 108 Cb -0.04 0.05 -0.06 0.00 0.00 0.00 0.00 23.12 23.08 1klv s ALA 108 CO -0.01 -0.05 0.08 1.52 0.00 0.00 0.00 175.76 177.30 1klv s TYR 109 N -0.74 1.82 0.39 0.00 1.13 -0.98 -1.16 117.35 117.83 1klv s TYR 109 Ca -0.07 -1.06 -0.13 0.00 -1.41 0.00 0.00 57.07 54.40 1klv s TYR 109 Cb -0.05 -1.16 0.05 0.00 -1.10 0.00 0.00 41.96 39.70 1klv s TYR 109 CO -0.00 -0.13 0.74 0.45 -2.51 0.00 0.00 175.55 174.10 1klv s SER 110 N -3.45 0.21 -0.26 -0.18 0.15 -1.03 -2.16 113.70 106.98 1klv s SER 110 Ca 0.35 -1.27 0.09 0.00 0.70 0.00 0.00 55.95 55.83 1klv s SER 110 Cb 0.08 0.84 0.45 0.00 -1.71 0.00 0.00 66.02 65.67 1klv s SER 110 CO 0.15 -1.66 1.20 -0.90 1.20 0.00 0.00 173.24 173.22 1klv n ASP 111 N -1.53 3.72 -4.22 5.45 5.75 -1.26 -0.98 116.55 123.48 1klv n ASP 111 Ca -0.07 -3.70 -0.17 0.00 -0.01 0.00 0.00 54.79 50.83 1klv n ASP 111 Cb 0.60 -0.40 -0.11 0.00 -1.03 0.00 0.00 41.12 40.18 1klv n ASP 111 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1klv s GLU 112 N -3.43 0.97 -0.06 0.11 2.02 -1.26 -4.79 118.70 112.26 1klv s GLU 112 Ca 0.46 -1.19 0.11 0.00 0.02 0.00 0.00 54.97 54.37 1klv s GLU 112 Cb 0.39 -0.83 0.22 0.00 0.10 0.00 0.00 34.13 34.01 1klv s GLU 112 CO -0.00 0.16 1.13 -1.13 0.02 0.00 0.00 175.26 175.43 1klv n SER 113 N 0.62 -0.26 -3.70 -0.19 3.41 -1.26 -4.89 113.62 107.36 1klv n SER 113 Ca -0.16 -2.03 -0.23 0.00 -0.26 0.00 0.00 58.87 56.19 1klv n SER 113 Cb 0.57 0.11 0.18 0.00 -0.26 0.00 0.00 64.21 64.80 1klv n SER 113 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1klv n VAL 114 N -0.08 0.00 -2.66 -3.33 3.14 -1.26 -4.88 118.33 109.25 1klv n VAL 114 Ca -0.14 -0.10 -0.41 0.00 -2.96 0.00 0.00 64.34 60.74 1klv n VAL 114 Cb 0.87 -0.60 -0.04 0.00 -1.06 0.00 0.00 33.84 33.00 1klv n VAL 114 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 1klv s TYR 115 N -2.12 3.76 0.00 1.45 6.14 -1.26 -4.99 117.35 120.34 1klv s TYR 115 Ca 0.46 1.75 0.00 0.00 0.64 0.00 0.00 57.07 59.92 1klv s TYR 115 Cb -0.09 -3.12 0.00 0.00 0.42 0.00 0.00 41.96 39.18 1klv s TYR 115 CO 0.44 -0.03 0.00 0.41 0.64 0.00 0.00 175.55 177.02 1klv n GLY 116 N 2.09 3.01 0.67 8.97 0.00 -1.26 -5.33 105.19 113.35 1klv n GLY 116 Ca 0.02 -0.60 0.13 0.00 0.00 0.00 0.00 46.02 45.57 1klv n GLY 116 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79