#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 0.22 0.23 1.61 4.22 -2.01 0.19 114.58 119.03 1klv h GLU 19 Ca 0.00 -0.01 -0.31 0.00 0.08 0.00 0.00 59.36 59.12 1klv h GLU 19 Cb 0.00 -0.05 0.03 0.00 0.50 0.00 0.00 28.75 29.24 1klv h GLU 19 CO 0.00 0.14 -1.35 -0.22 -2.18 0.00 0.00 179.01 175.40 1klv h LYS 20 N 0.22 0.48 0.00 1.92 3.64 -2.03 -3.12 116.57 117.68 1klv h LYS 20 Ca 0.69 -0.83 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1klv h LYS 20 Cb 2.05 0.31 0.00 0.00 -0.41 0.00 0.00 32.23 34.18 1klv h LYS 20 CO -0.31 1.40 0.02 0.82 -2.27 0.00 0.00 179.45 179.11 1klv h ILE 21 N 0.03 0.00 0.00 2.00 1.08 -1.05 -2.50 117.51 117.07 1klv h ILE 21 Ca -0.24 0.00 -0.17 0.00 -0.39 0.00 0.00 64.86 64.06 1klv h ILE 21 Cb 2.05 0.50 -0.03 0.00 -3.07 0.00 0.00 36.82 36.27 1klv h ILE 21 CO 0.24 0.00 -1.15 0.54 -0.69 0.00 0.00 178.15 177.10 1klv n ARG 22 N -2.29 0.53 -0.34 2.37 5.12 -0.80 -0.96 116.66 120.28 1klv n ARG 22 Ca -0.01 0.52 0.20 0.00 -1.93 0.00 0.00 57.85 56.62 1klv n ARG 22 Cb 0.05 -1.69 0.42 0.00 -1.16 0.00 0.00 32.46 30.08 1klv n ARG 22 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1klv h LYS 23 N -1.00 0.50 0.02 5.56 3.64 -1.43 0.62 116.57 124.48 1klv h LYS 23 Ca -0.26 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 58.93 1klv h LYS 23 Cb 1.08 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 1klv h LYS 23 CO -0.16 0.33 -0.87 0.87 -2.27 0.00 0.00 179.45 177.35 1klv h LYS 24 N 0.51 0.04 -2.31 1.90 1.57 -1.61 -3.40 116.57 113.27 1klv h LYS 24 Ca 0.65 -0.07 -0.65 0.00 -1.87 0.00 0.00 60.65 58.71 1klv h LYS 24 Cb 1.36 0.03 -0.38 0.00 0.08 0.00 0.00 32.23 33.31 1klv h LYS 24 CO -0.46 1.04 -0.24 0.66 -0.57 0.00 0.00 179.45 179.87 1klv n TYR 25 N -4.40 3.61 0.98 -1.35 4.01 -0.13 -4.80 117.16 115.08 1klv n TYR 25 Ca -0.24 -3.69 0.10 0.00 -0.16 0.00 0.00 57.90 53.91 1klv n TYR 25 Cb 0.65 -0.68 0.51 0.00 -0.31 0.00 0.00 39.34 39.51 1klv n TYR 25 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1klv n PRO 26 N 0.18 0.35 -0.11 -0.72 -0.04 0.21 -2.52 135.00 132.35 1klv n PRO 26 Ca 0.33 0.08 0.06 0.00 -0.04 0.00 0.00 63.50 63.94 1klv n PRO 26 Cb 0.37 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.45 1klv n PRO 26 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1klv n ASP 27 N -1.23 2.50 -0.82 3.54 2.03 -1.26 -5.03 116.55 116.29 1klv n ASP 27 Ca 0.10 -2.66 0.00 0.00 0.52 0.00 0.00 54.79 52.75 1klv n ASP 27 Cb 0.14 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.24 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 -0.87 2.66 -3.49 -0.67 3.00 -1.05 -4.13 116.66 112.12 1klv n ARG 28 Ca 0.12 0.00 -0.19 0.00 -0.01 0.00 0.00 57.85 57.77 1klv n ARG 28 Cb 0.54 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.87 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 0.91 -0.32 -0.96 1.55 1.01 0.89 -4.67 120.40 118.81 1klv s VAL 29 Ca 0.00 -0.17 -0.24 0.00 0.00 0.00 0.00 61.98 61.58 1klv s VAL 29 Cb 0.00 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.70 1klv s VAL 29 CO 0.00 -0.24 1.54 -2.16 0.00 0.00 0.00 175.10 174.23 1klv s PRO 30 N 2.32 3.34 -0.07 2.72 0.04 -1.26 -2.48 135.00 139.61 1klv s PRO 30 Ca 0.07 -0.84 -0.23 0.00 0.04 0.00 0.00 61.00 60.03 1klv s PRO 30 Cb -0.16 -5.17 -0.04 0.00 0.04 0.00 0.00 34.50 29.17 1klv s PRO 30 CO -0.14 -2.44 0.70 0.14 0.04 0.00 0.00 177.00 175.30 1klv s VAL 31 N 6.11 5.05 -0.03 -0.36 -7.23 -0.74 -2.62 120.40 120.57 1klv s VAL 31 Ca 0.50 1.44 -0.17 0.00 -1.81 0.00 0.00 61.98 61.94 1klv s VAL 31 Cb -0.02 -4.04 -0.05 0.00 0.56 0.00 0.00 36.38 32.83 1klv s VAL 31 CO -0.05 0.25 0.48 -0.63 -0.31 0.00 0.00 175.10 174.83 1klv s ILE 32 N 0.82 5.02 0.08 -0.62 -1.09 -0.39 -1.44 121.20 123.58 1klv s ILE 32 Ca 0.37 0.98 0.10 0.00 -2.23 0.00 0.00 60.65 59.87 1klv s ILE 32 Cb -0.18 -3.80 -0.03 0.00 -1.58 0.00 0.00 42.46 36.87 1klv s ILE 32 CO 0.18 0.47 -0.27 0.54 -1.23 0.00 0.00 174.94 174.64 1klv s VAL 33 N -0.41 2.19 0.00 2.92 0.11 -0.70 -0.66 120.40 123.85 1klv s VAL 33 Ca 0.26 -1.52 0.00 0.00 -2.93 0.00 0.00 61.98 57.79 1klv s VAL 33 Cb -0.17 -1.90 0.00 0.00 -1.53 0.00 0.00 36.38 32.78 1klv s VAL 33 CO 0.14 0.26 0.00 1.21 -3.33 0.00 0.00 175.10 173.38 1klv n GLU 34 N 1.45 0.00 -4.42 1.54 0.00 -0.22 -4.58 120.64 114.41 1klv n GLU 34 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 57.16 56.76 1klv n GLU 34 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.86 1klv n GLU 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1klv s LYS 35 N -0.33 1.54 0.50 5.31 2.47 -1.26 -2.38 119.74 125.59 1klv s LYS 35 Ca 0.00 -1.66 -0.08 0.00 -1.56 0.00 0.00 55.97 52.67 1klv s LYS 35 Cb 0.00 -1.58 0.13 0.00 -1.46 0.00 0.00 37.83 34.92 1klv s LYS 35 CO 0.00 0.30 0.31 0.00 0.16 0.00 0.00 175.35 176.12 1klv n ALA 36 N -0.37 -1.74 -2.06 3.13 0.00 -0.96 -4.77 120.51 113.74 1klv n ALA 36 Ca -0.07 -0.54 -0.41 0.00 0.00 0.00 0.00 53.44 52.41 1klv n ALA 36 Cb 0.59 -0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 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 -3.74 3.14 -1.02 0.00 0.04 -1.26 -2.87 135.00 129.28 1klv s PRO 37 Ca 0.23 1.09 -0.06 0.00 0.04 0.00 0.00 61.00 62.31 1klv s PRO 37 Cb -0.04 -4.23 0.01 0.00 0.04 0.00 0.00 34.50 30.28 1klv s PRO 37 CO 0.19 -2.09 0.89 1.63 0.04 0.00 0.00 177.00 177.66 1klv n LYS 38 N 8.62 -5.98 -0.17 4.56 4.76 -1.26 -4.99 118.16 123.69 1klv n LYS 38 Ca 0.21 0.64 -0.24 0.00 -2.87 0.00 0.00 58.31 56.05 1klv n LYS 38 Cb 0.49 -5.09 0.23 0.00 -1.84 0.00 0.00 35.03 28.81 1klv n LYS 38 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1klv n ALA 39 N -4.28 -4.12 -2.34 7.82 0.00 -1.14 -5.00 120.51 111.45 1klv n ALA 39 Ca -0.03 -1.20 -0.02 0.00 0.00 0.00 0.00 53.44 52.20 1klv n ALA 39 Cb 0.56 -0.11 -0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 -5.00 0.29 -2.23 0.00 1.85 -1.26 -5.02 116.66 105.28 1klv n ARG 40 Ca 0.11 -1.64 -0.27 0.00 -1.00 0.00 0.00 57.85 55.05 1klv n ARG 40 Cb 0.47 0.10 0.14 0.00 -1.05 0.00 0.00 32.46 32.13 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 -0.33 2.08 0.64 8.89 -5.25 -1.26 -4.97 121.20 121.00 1klv s ILE 41 Ca 0.17 -0.28 -0.08 0.00 -0.99 0.00 0.00 60.65 59.48 1klv s ILE 41 Cb 0.23 -2.80 0.12 0.00 2.95 0.00 0.00 42.46 42.95 1klv s ILE 41 CO -0.08 0.00 0.27 0.61 -1.79 0.00 0.00 174.94 173.95 1klv n GLY 42 N -3.29 -1.77 1.77 6.27 0.00 -0.88 -4.96 105.19 102.32 1klv n GLY 42 Ca 0.14 -0.57 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.13 -0.70 -3.92 1.61 2.03 -1.26 -4.79 116.55 108.39 1klv n ASP 43 Ca 0.04 -1.03 -0.17 0.00 0.52 0.00 0.00 54.79 54.15 1klv n ASP 43 Cb 0.19 -0.48 -0.15 0.00 -0.72 0.00 0.00 41.12 39.95 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 1.70 -0.08 -2.67 2.01 -1.26 -4.09 118.68 114.29 1klv s LEU 44 Ca 0.35 -0.10 -0.12 0.00 0.01 0.00 0.00 54.13 54.28 1klv s LEU 44 Cb -0.02 -0.32 -0.29 0.00 0.01 0.00 0.00 46.19 45.57 1klv s LEU 44 CO 0.26 0.01 0.57 -0.78 1.01 0.00 0.00 176.35 177.41 1klv h ASP 45 N 6.51 0.50 -5.03 2.29 1.82 -1.94 -3.48 116.42 117.09 1klv h ASP 45 Ca -0.33 -0.91 -0.08 0.00 -0.39 0.00 0.00 57.03 55.31 1klv h ASP 45 Cb 1.17 -0.16 -0.17 0.00 0.68 0.00 0.00 39.33 40.85 1klv h ASP 45 CO 0.49 1.75 -0.12 -0.54 -1.61 0.00 0.00 179.24 179.21 1klv s LYS 46 N -2.54 0.90 -0.49 0.28 3.01 -1.26 -5.06 119.74 114.57 1klv s LYS 46 Ca -0.19 -0.35 0.03 0.00 -1.01 0.00 0.00 55.97 54.46 1klv s LYS 46 Cb 0.05 0.40 0.43 0.00 -1.01 0.00 0.00 37.83 37.70 1klv s LYS 46 CO 0.81 -0.30 1.44 1.63 0.51 0.00 0.00 175.35 179.44 1klv n LYS 47 N 0.57 3.26 -3.28 1.68 4.01 -1.26 -4.87 118.16 118.27 1klv n LYS 47 Ca -0.19 -4.03 0.03 0.00 -0.51 0.00 0.00 58.31 53.61 1klv n LYS 47 Cb 0.59 -2.27 -0.02 0.00 -0.51 0.00 0.00 35.03 32.82 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 -3.70 0.52 -0.08 1.97 0.00 -1.26 -1.72 119.74 115.47 1klv s LYS 48 Ca 0.52 1.03 0.01 0.00 0.00 0.00 0.00 55.97 57.53 1klv s LYS 48 Cb 0.43 0.59 -0.03 0.00 0.00 0.00 0.00 37.83 38.82 1klv s LYS 48 CO -0.12 -0.45 -0.08 0.71 0.00 0.00 0.00 175.35 175.40 1klv s TYR 49 N 2.86 2.89 -0.92 1.78 1.51 -0.52 -4.94 117.35 120.00 1klv s TYR 49 Ca 0.11 -0.12 -0.13 0.00 -1.01 0.00 0.00 57.07 55.92 1klv s TYR 49 Cb -0.13 -1.74 0.23 0.00 -0.11 0.00 0.00 41.96 40.20 1klv s TYR 49 CO -0.19 0.20 0.91 -1.17 -1.11 0.00 0.00 175.55 174.18 1klv s LEU 50 N -0.51 6.48 0.06 -1.29 2.96 -1.26 -1.80 118.68 123.32 1klv s LEU 50 Ca 0.07 -2.90 0.03 0.00 -0.22 0.00 0.00 54.13 51.12 1klv s LEU 50 Cb -0.12 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 1klv s LEU 50 CO 0.02 -0.54 0.01 0.68 -1.32 0.00 0.00 176.35 175.21 1klv s VAL 51 N 0.00 4.15 0.45 1.68 -7.23 -1.03 -4.85 120.40 113.58 1klv s VAL 51 Ca 0.23 -0.83 -0.22 0.00 -1.81 0.00 0.00 61.98 59.35 1klv s VAL 51 Cb -0.09 -2.94 -0.08 0.00 0.56 0.00 0.00 36.38 33.82 1klv s VAL 51 CO -0.09 0.20 1.09 -2.16 -0.31 0.00 0.00 175.10 173.84 1klv s PRO 52 N -2.09 3.88 0.37 4.82 0.04 -1.26 -0.08 135.00 140.68 1klv s PRO 52 Ca 0.24 1.57 0.26 0.00 0.04 0.00 0.00 61.00 63.12 1klv s PRO 52 Cb -0.12 -2.35 1.34 0.00 0.04 0.00 0.00 34.50 33.42 1klv s PRO 52 CO 0.16 -0.40 1.79 1.03 0.04 0.00 0.00 177.00 179.63 1klv h SER 53 N 2.03 0.00 1.16 6.66 0.87 -1.83 -1.70 113.55 120.74 1klv h SER 53 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1klv h SER 53 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1klv h SER 53 CO 0.60 0.00 -0.26 -0.67 -0.53 0.00 0.00 176.83 175.97 1klv n ASP 54 N -2.42 0.70 -4.76 6.23 2.03 -1.26 -1.19 116.55 115.88 1klv n ASP 54 Ca -0.01 0.36 -0.39 0.00 0.52 0.00 0.00 54.79 55.27 1klv n ASP 54 Cb 0.09 -0.36 0.02 0.00 -0.72 0.00 0.00 41.12 40.15 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 -4.23 4.04 0.50 -2.67 1.43 -0.64 -4.85 118.68 112.26 1klv s LEU 55 Ca 0.09 2.80 -0.02 0.00 -1.03 0.00 0.00 54.13 55.97 1klv s LEU 55 Cb 0.13 -4.06 -0.00 0.00 0.03 0.00 0.00 46.19 42.30 1klv s LEU 55 CO 0.64 -1.25 0.75 0.42 0.23 0.00 0.00 176.35 177.15 1klv s THR 56 N -1.26 3.90 0.50 5.49 -4.23 -1.26 -0.96 115.64 117.82 1klv s THR 56 Ca 0.64 -0.32 0.22 0.00 -1.18 0.00 0.00 61.69 61.06 1klv s THR 56 Cb -0.41 -3.47 0.28 0.00 1.34 0.00 0.00 72.50 70.23 1klv s THR 56 CO 0.51 -0.39 2.12 0.58 -0.54 0.00 0.00 174.62 176.91 1klv h VAL 57 N 0.20 0.79 -0.35 2.29 2.07 -1.56 -1.94 116.25 117.76 1klv h VAL 57 Ca -0.46 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 66.66 1klv h VAL 57 Cb 1.25 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1klv h VAL 57 CO 0.58 0.07 -0.23 1.23 0.02 0.00 0.00 177.57 179.25 1klv h GLY 58 N 0.34 0.74 0.63 2.17 0.00 -1.86 -1.72 103.07 103.39 1klv h GLY 58 Ca -0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 1klv h GLY 58 CO 0.01 0.57 -0.09 1.46 0.00 0.00 0.00 176.54 178.49 1klv h GLN 59 N 0.60 0.21 -0.28 4.80 1.08 -1.74 -2.93 115.11 116.86 1klv h GLN 59 Ca 0.08 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1klv h GLN 59 Cb 0.71 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 1klv h GLN 59 CO 0.05 0.65 0.19 0.35 -0.95 0.00 0.00 178.83 179.12 1klv h PHE 60 N -0.23 0.35 -0.22 2.96 3.57 -1.46 0.15 116.94 122.06 1klv h PHE 60 Ca 0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1klv h PHE 60 Cb 0.62 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1klv h PHE 60 CO 0.09 0.22 0.15 -0.92 -2.23 0.00 0.00 178.31 175.62 1klv h TYR 61 N 0.38 0.28 0.07 0.41 5.03 -1.13 -2.73 116.97 119.27 1klv h TYR 61 Ca 0.10 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.42 1klv h TYR 61 Cb -0.04 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.15 1klv h TYR 61 CO -0.00 0.18 -0.03 0.35 -1.32 0.00 0.00 178.16 177.34 1klv h PHE 62 N 0.30 -0.08 -0.58 -3.82 3.57 -0.85 -2.26 116.94 113.23 1klv h PHE 62 Ca 0.08 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1klv h PHE 62 Cb -0.03 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1klv h PHE 62 CO 0.00 0.47 0.38 1.37 -2.23 0.00 0.00 178.31 178.30 1klv h LEU 63 N -0.73 0.65 0.00 0.59 8.10 -1.33 -2.33 115.31 120.27 1klv h LEU 63 Ca -0.01 -0.02 -0.19 0.00 0.11 0.00 0.00 57.88 57.77 1klv h LEU 63 Cb 0.59 -0.16 -0.03 0.00 -0.44 0.00 0.00 40.66 40.62 1klv h LEU 63 CO 0.01 0.47 -0.94 0.40 -4.11 0.00 0.00 178.44 174.27 1klv h ILE 64 N 0.77 1.52 -0.70 0.15 2.04 -1.57 -3.28 117.51 116.44 1klv h ILE 64 Ca 0.21 -3.18 0.06 0.00 1.00 0.00 0.00 64.86 62.96 1klv h ILE 64 Cb -0.08 2.75 -0.09 0.00 -0.74 0.00 0.00 36.82 38.67 1klv h ILE 64 CO -0.05 0.87 -0.46 0.03 0.00 0.00 0.00 178.15 178.54 1klv h ARG 65 N 0.00 -0.06 0.00 2.37 3.08 -0.81 0.86 114.38 119.82 1klv h ARG 65 Ca -0.02 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1klv h ARG 65 Cb 1.71 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.77 1klv h ARG 65 CO 0.12 -0.04 -0.21 0.87 -1.07 0.00 0.00 179.97 179.63 1klv h LYS 66 N -0.06 0.00 0.00 0.04 6.56 -1.70 -1.29 116.57 120.12 1klv h LYS 66 Ca 0.11 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 1klv h LYS 66 Cb 0.35 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.01 1klv h LYS 66 CO -0.69 0.21 0.00 0.00 -2.06 0.00 0.00 179.45 176.91 1klv h ARG 67 N 0.00 0.00 -0.69 3.15 2.47 0.48 -2.13 114.38 117.66 1klv h ARG 67 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1klv h ARG 67 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 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 -2.48 1.26 -2.57 2.04 2.08 0.86 -3.86 119.36 116.70 1klv n ILE 68 Ca 0.02 -1.07 -0.16 0.00 0.56 0.00 0.00 62.75 62.10 1klv n ILE 68 Cb 0.26 0.38 -0.00 0.00 -0.75 0.00 0.00 39.64 39.53 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 1.43 -1.40 -4.33 1.39 -0.00 -0.80 -2.07 115.22 109.44 1klv n HIS 69 Ca 0.24 0.09 -0.25 0.00 0.46 0.00 0.00 57.72 58.26 1klv n HIS 69 Cb 0.70 -3.20 -0.09 0.00 -0.12 0.00 0.00 29.99 27.28 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 -5.89 2.93 0.00 0.27 0.05 -1.19 -4.66 118.68 110.19 1klv s LEU 70 Ca 0.06 -0.68 0.00 0.00 0.05 0.00 0.00 54.13 53.57 1klv s LEU 70 Cb -0.03 -1.56 0.00 0.00 -2.05 0.00 0.00 46.19 42.55 1klv s LEU 70 CO 0.08 0.07 0.00 -2.11 -0.55 0.00 0.00 176.35 173.84 1klv n ARG 71 N -0.26 0.00 0.00 1.48 1.85 -1.26 -4.45 116.66 114.02 1klv n ARG 71 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.76 1klv n ARG 71 Cb 0.57 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.98 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 -2.35 2.89 0.00 -1.26 -1.60 120.51 115.19 1klv n ALA 72 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1klv n ALA 72 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.38 -0.42 0.00 0.28 -1.26 -5.13 120.64 114.50 1klv n GLU 73 Ca 0.00 -1.63 -0.26 0.00 -0.16 0.00 0.00 57.16 55.12 1klv n GLU 73 Cb 0.00 0.10 0.22 0.00 1.43 0.00 0.00 31.44 33.19 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 -0.13 -3.26 -4.86 -1.84 2.03 -0.63 -4.96 116.55 102.90 1klv n ASP 74 Ca -0.12 -0.53 -0.37 0.00 0.52 0.00 0.00 54.79 54.29 1klv n ASP 74 Cb 0.88 -0.94 -0.06 0.00 -0.72 0.00 0.00 41.12 40.28 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 -2.15 3.83 -0.05 -1.67 0.00 -1.26 -4.99 121.76 115.47 1klv s ALA 75 Ca 0.55 -0.54 -0.29 0.00 0.00 0.00 0.00 51.96 51.67 1klv s ALA 75 Cb -0.12 -2.08 0.10 0.00 0.00 0.00 0.00 23.12 21.02 1klv s ALA 75 CO 0.50 0.56 0.82 -1.17 0.00 0.00 0.00 175.76 176.47 1klv s LEU 76 N -0.97 -0.49 -0.26 0.00 2.96 -1.20 -4.44 118.68 114.28 1klv s LEU 76 Ca 0.17 0.38 -0.11 0.00 -0.22 0.00 0.00 54.13 54.35 1klv s LEU 76 Cb -0.13 2.22 0.10 0.00 0.50 0.00 0.00 46.19 48.88 1klv s LEU 76 CO 0.06 -0.57 0.59 -0.36 -1.32 0.00 0.00 176.35 174.75 1klv s PHE 77 N -1.87 -1.08 -0.18 5.38 0.08 -0.33 -4.86 117.98 115.13 1klv s PHE 77 Ca -0.03 2.01 -0.21 0.00 0.12 0.00 0.00 56.93 58.82 1klv s PHE 77 Cb -0.00 0.61 -0.03 0.00 -0.57 0.00 0.00 43.02 43.02 1klv s PHE 77 CO 0.01 -0.56 0.62 -0.06 -0.10 0.00 0.00 175.22 175.13 1klv s PHE 78 N 2.33 3.40 -0.17 0.36 0.08 -1.26 -2.29 117.98 120.43 1klv s PHE 78 Ca -0.07 0.95 0.01 0.00 0.12 0.00 0.00 56.93 57.95 1klv s PHE 78 Cb -0.10 -2.78 0.02 0.00 -0.57 0.00 0.00 43.02 39.59 1klv s PHE 78 CO -0.17 -0.13 -0.20 -0.06 -0.10 0.00 0.00 175.22 174.55 1klv s PHE 79 N 1.73 2.75 -0.23 0.36 0.08 -0.43 -4.60 117.98 117.63 1klv s PHE 79 Ca 0.29 -1.54 0.02 0.00 0.12 0.00 0.00 56.93 55.82 1klv s PHE 79 Cb -0.16 -1.89 0.05 0.00 -0.57 0.00 0.00 43.02 40.45 1klv s PHE 79 CO 0.11 -0.74 -0.13 0.08 -0.10 0.00 0.00 175.22 174.44 1klv s VAL 80 N 1.14 2.05 -1.31 -0.44 1.01 -0.84 -2.52 120.40 119.49 1klv s VAL 80 Ca 0.01 -1.39 -0.03 0.00 0.00 0.00 0.00 61.98 60.56 1klv s VAL 80 Cb -0.14 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1klv s VAL 80 CO -0.09 0.11 0.44 -3.20 0.00 0.00 0.00 175.10 172.37 1klv n ASN 81 N 4.51 -5.30 -1.74 3.32 4.05 -1.26 -2.16 115.26 116.68 1klv n ASN 81 Ca -0.16 -0.21 -0.12 0.00 0.45 0.00 0.00 54.58 54.54 1klv n ASN 81 Cb 0.44 -4.17 0.02 0.00 1.23 0.00 0.00 39.78 37.30 1klv n ASN 81 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1klv n ASN 82 N -1.70 -4.04 -4.28 1.20 2.85 -1.26 -5.02 115.26 103.01 1klv n ASN 82 Ca -0.11 -0.15 -0.15 0.00 -0.11 0.00 0.00 54.58 54.06 1klv n ASN 82 Cb 0.61 -2.93 -0.10 0.00 1.24 0.00 0.00 39.78 38.59 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 -2.87 0.55 -0.49 3.44 1.01 -0.92 -5.11 120.40 116.01 1klv s VAL 83 Ca 0.16 -1.99 0.06 0.00 0.00 0.00 0.00 61.98 60.21 1klv s VAL 83 Cb -0.07 -2.46 0.20 0.00 0.00 0.00 0.00 36.38 34.05 1klv s VAL 83 CO 0.20 -0.15 0.68 -0.38 0.00 0.00 0.00 175.10 175.44 1klv n ILE 84 N -0.38 -0.27 -1.84 2.22 -0.00 -1.26 -1.99 119.36 115.84 1klv n ILE 84 Ca -0.02 -1.75 -0.32 0.00 -0.00 0.00 0.00 62.75 60.66 1klv n ILE 84 Cb 0.65 0.42 0.03 0.00 -0.00 0.00 0.00 39.64 40.74 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 0.55 3.04 0.92 0.38 0.04 -1.26 -5.05 135.00 133.61 1klv s PRO 85 Ca 0.31 1.22 -0.15 0.00 0.04 0.00 0.00 61.00 62.42 1klv s PRO 85 Cb 0.07 -1.99 0.23 0.00 0.04 0.00 0.00 34.50 32.84 1klv s PRO 85 CO -0.12 -1.04 0.87 -0.35 0.04 0.00 0.00 177.00 176.40 1klv n PRO 86 N -2.40 -2.39 -0.08 0.56 -0.04 -1.26 -4.89 135.00 124.50 1klv n PRO 86 Ca 0.09 -1.39 0.01 0.00 -0.04 0.00 0.00 63.50 62.17 1klv n PRO 86 Cb 0.53 -1.23 0.04 0.00 -0.04 0.00 0.00 33.50 32.80 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 -4.18 0.24 -1.31 0.52 -2.24 -1.26 -4.02 114.28 102.03 1klv n THR 87 Ca 0.12 -0.14 -0.31 0.00 -2.27 0.00 0.00 64.05 61.44 1klv n THR 87 Cb 0.45 -0.29 0.06 0.00 -2.10 0.00 0.00 70.33 68.46 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 -0.04 7.39 -2.41 3.42 2.88 -1.26 -4.42 113.62 119.18 1klv n SER 88 Ca 0.03 -3.62 -0.11 0.00 -1.33 0.00 0.00 58.87 53.84 1klv n SER 88 Cb 0.26 -1.02 -0.03 0.00 -0.75 0.00 0.00 64.21 62.67 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 -0.54 0.03 -2.88 -1.46 0.00 -1.26 -5.04 120.51 109.37 1klv n ALA 89 Ca 0.55 -1.18 -0.12 0.00 0.00 0.00 0.00 53.44 52.69 1klv n ALA 89 Cb 0.59 0.95 -0.14 0.00 0.00 0.00 0.00 19.45 20.85 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 -2.77 0.04 0.28 0.00 -4.23 -1.26 -1.77 115.64 105.93 1klv s THR 90 Ca 0.22 -0.13 0.01 0.00 -1.18 0.00 0.00 61.69 60.61 1klv s THR 90 Cb 0.00 -0.06 0.26 0.00 1.34 0.00 0.00 72.50 74.04 1klv s THR 90 CO 0.16 -0.06 1.73 0.24 -0.54 0.00 0.00 174.62 176.15 1klv h MET 91 N 5.94 0.48 -0.68 3.99 2.86 -1.22 0.09 114.93 126.41 1klv h MET 91 Ca -0.25 -0.03 0.15 0.00 -2.06 0.00 0.00 59.70 57.50 1klv h MET 91 Cb 1.21 -0.11 -0.11 0.00 0.06 0.00 0.00 31.60 32.65 1klv h MET 91 CO 0.50 0.32 0.04 0.78 1.06 0.00 0.00 176.91 179.60 1klv h GLY 92 N 0.49 0.77 1.82 8.32 0.00 -1.32 0.42 103.07 113.57 1klv h GLY 92 Ca 0.51 0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.85 1klv h GLY 92 CO -0.45 -0.22 -0.15 0.06 0.00 0.00 0.00 176.54 175.78 1klv h GLN 93 N 0.14 0.23 0.00 4.80 3.07 -1.13 -1.71 115.11 120.50 1klv h GLN 93 Ca 0.36 -0.06 -0.02 0.00 0.09 0.00 0.00 58.65 59.03 1klv h GLN 93 Cb 0.61 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.14 1klv h GLN 93 CO -0.56 0.39 -0.09 1.37 0.09 0.00 0.00 178.83 180.02 1klv h LEU 94 N 0.22 0.00 -0.23 0.06 8.10 0.14 -3.15 115.31 120.44 1klv h LEU 94 Ca 0.04 0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.09 1klv h LEU 94 Cb 0.40 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.55 1klv h LEU 94 CO 0.02 0.09 -0.37 0.22 -4.11 0.00 0.00 178.44 174.30 1klv h TYR 95 N 0.00 -1.04 0.00 0.17 3.20 -0.49 0.27 116.97 119.09 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 0.45 0.49 0.00 0.00 1.54 0.00 0.00 36.73 39.21 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 -1.72 -2.91 115.11 116.12 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 -0.44 0.00 -0.18 0.93 -0.67 0.00 0.00 178.83 178.47 1klv h GLU 97 N 0.00 0.00 -1.05 1.46 4.39 -0.64 -3.40 114.58 115.33 1klv h GLU 97 Ca 0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 1klv h GLU 97 Cb 0.41 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 28.78 1klv h GLU 97 CO 0.00 0.00 0.78 0.72 -1.16 0.00 0.00 179.01 179.35 1klv n HIS 98 N -3.36 2.99 -1.26 4.33 8.25 0.24 -4.99 115.22 121.42 1klv n HIS 98 Ca -0.02 -2.67 -0.29 0.00 -0.26 0.00 0.00 57.72 54.48 1klv n HIS 98 Cb 0.09 -1.29 0.18 0.00 1.12 0.00 0.00 29.99 30.09 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 -3.47 1.89 0.02 4.41 -3.43 -1.10 -2.60 115.29 111.02 1klv s HIS 99 Ca 0.59 0.84 0.01 0.00 -0.80 0.00 0.00 55.06 55.69 1klv s HIS 99 Cb 0.47 -3.36 -0.02 0.00 -1.43 0.00 0.00 32.58 28.24 1klv s HIS 99 CO 0.01 -2.97 -0.04 -2.00 -2.00 0.00 0.00 174.74 167.74 1klv s GLU 100 N -5.14 0.35 0.27 -0.38 2.12 -1.03 -4.77 118.70 110.13 1klv s GLU 100 Ca 0.66 -0.54 -0.08 0.00 0.36 0.00 0.00 54.97 55.37 1klv s GLU 100 Cb -0.16 -0.09 0.45 0.00 0.26 0.00 0.00 34.13 34.60 1klv s GLU 100 CO 0.56 0.01 1.57 1.49 -0.54 0.00 0.00 175.26 178.35 1klv h GLU 101 N 4.92 0.00 -0.04 4.30 4.81 -1.98 -0.71 114.58 125.89 1klv h GLU 101 Ca -0.32 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1klv h GLU 101 Cb 1.21 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 1klv h GLU 101 CO 0.43 0.00 -0.32 -0.44 -0.73 0.00 0.00 179.01 177.96 1klv h ASP 102 N 0.00 -0.99 0.00 1.04 3.32 -2.04 -3.47 116.42 114.28 1klv h ASP 102 Ca 0.47 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.63 1klv h ASP 102 Cb 0.73 0.38 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1klv h ASP 102 CO -0.97 -0.29 0.00 0.49 -1.72 0.00 0.00 179.24 176.75 1klv n PHE 103 N -4.22 0.00 -0.40 4.55 3.72 -0.27 -5.14 117.46 115.69 1klv n PHE 103 Ca -0.04 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.16 1klv n PHE 103 Cb 0.23 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 38.96 1klv n PHE 103 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1klv n PHE 104 N 0.00 -2.95 -3.69 1.38 3.72 -1.26 -3.99 117.46 110.67 1klv n PHE 104 Ca 0.00 -0.31 -0.22 0.00 -0.05 0.00 0.00 57.45 56.87 1klv n PHE 104 Cb 0.00 -1.36 -0.04 0.00 -0.94 0.00 0.00 39.48 37.15 1klv n PHE 104 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 1klv s LEU 105 N -2.59 3.35 -0.12 4.37 0.05 -1.08 -2.45 118.68 120.22 1klv s LEU 105 Ca 0.45 -0.79 0.00 0.00 0.05 0.00 0.00 54.13 53.84 1klv s LEU 105 Cb -0.08 -1.95 -0.01 0.00 -2.05 0.00 0.00 46.19 42.10 1klv s LEU 105 CO 0.38 -0.60 -0.14 -0.72 -0.55 0.00 0.00 176.35 174.71 1klv s TYR 106 N -2.48 2.79 -0.06 3.48 -0.85 -1.07 -1.27 117.35 117.88 1klv s TYR 106 Ca 0.46 -0.63 -0.02 0.00 -0.52 0.00 0.00 57.07 56.35 1klv s TYR 106 Cb -0.02 -1.82 0.04 0.00 0.38 0.00 0.00 41.96 40.54 1klv s TYR 106 CO 0.27 -0.19 0.11 0.42 -1.52 0.00 0.00 175.55 174.63 1klv s ILE 107 N 0.27 -0.16 0.14 -3.49 1.01 0.16 -4.31 121.20 114.82 1klv s ILE 107 Ca -0.10 0.34 0.08 0.00 0.00 0.00 0.00 60.65 60.97 1klv s ILE 107 Cb -0.16 -0.22 -0.04 0.00 0.01 0.00 0.00 42.46 42.06 1klv s ILE 107 CO 0.06 0.14 -0.18 0.00 0.00 0.00 0.00 174.94 174.95 1klv s ALA 108 N 1.95 1.85 0.27 9.38 0.00 -1.05 -1.05 121.76 133.10 1klv s ALA 108 Ca 0.00 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 50.63 1klv s ALA 108 Cb -0.12 -0.19 -0.06 0.00 0.00 0.00 0.00 23.12 22.75 1klv s ALA 108 CO -0.05 0.26 0.03 1.52 0.00 0.00 0.00 175.76 177.52 1klv s TYR 109 N -1.73 1.71 0.32 0.00 1.13 -1.00 -1.32 117.35 116.45 1klv s TYR 109 Ca 0.11 -0.96 -0.05 0.00 -1.41 0.00 0.00 57.07 54.76 1klv s TYR 109 Cb -0.07 -1.03 0.02 0.00 -1.10 0.00 0.00 41.96 39.78 1klv s TYR 109 CO 0.05 -0.05 0.51 0.45 -2.51 0.00 0.00 175.55 174.00 1klv n SER 110 N -0.52 -1.45 0.06 -0.18 2.88 -0.97 -2.27 113.62 111.17 1klv n SER 110 Ca -0.03 -2.55 -0.06 0.00 -1.33 0.00 0.00 58.87 54.89 1klv n SER 110 Cb 0.65 2.57 -0.11 0.00 -0.75 0.00 0.00 64.21 66.57 1klv n SER 110 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1klv h ASP 111 N 1.71 0.00 -5.32 -3.46 5.19 -1.90 -0.86 116.42 111.78 1klv h ASP 111 Ca -0.25 0.00 0.36 0.00 -0.62 0.00 0.00 57.03 56.51 1klv h ASP 111 Cb 1.04 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 40.40 1klv h ASP 111 CO 0.34 0.96 0.94 -1.83 -3.12 0.00 0.00 179.24 176.53 1klv s GLU 112 N -2.72 0.12 -0.03 3.56 -1.05 -1.26 -3.21 118.70 114.11 1klv s GLU 112 Ca 0.01 -0.06 0.05 0.00 -0.15 0.00 0.00 54.97 54.82 1klv s GLU 112 Cb 0.10 0.04 0.08 0.00 -0.44 0.00 0.00 34.13 33.91 1klv s GLU 112 CO 0.82 -0.05 0.94 0.45 0.95 0.00 0.00 175.26 178.37 1klv n SER 113 N -0.34 1.47 -4.75 0.83 2.88 -1.26 -5.04 113.62 107.39 1klv n SER 113 Ca -0.05 -2.10 -0.27 0.00 -1.33 0.00 0.00 58.87 55.12 1klv n SER 113 Cb 0.61 -0.14 -0.07 0.00 -0.75 0.00 0.00 64.21 63.87 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 -1.19 1.93 0.15 2.46 0.11 -1.26 -5.08 120.40 117.52 1klv s VAL 114 Ca 0.09 -1.77 -0.31 0.00 -2.93 0.00 0.00 61.98 57.06 1klv s VAL 114 Cb 0.07 -2.69 -0.10 0.00 -1.53 0.00 0.00 36.38 32.13 1klv s VAL 114 CO 0.01 0.00 1.58 -0.47 -3.33 0.00 0.00 175.10 172.88 1klv s TYR 115 N -2.70 2.99 -0.04 1.54 6.14 -1.26 -4.96 117.35 119.06 1klv s TYR 115 Ca 0.32 0.59 -0.31 0.00 0.64 0.00 0.00 57.07 58.32 1klv s TYR 115 Cb 0.03 -3.93 0.11 0.00 0.42 0.00 0.00 41.96 38.60 1klv s TYR 115 CO 0.18 -3.46 1.16 0.20 0.64 0.00 0.00 175.55 174.26 1klv s GLY 116 N 1.30 -0.35 0.00 8.97 0.00 -1.26 -5.22 107.32 110.76 1klv s GLY 116 Ca 0.70 0.92 0.16 0.00 0.00 0.00 0.00 44.72 46.51 1klv s GLY 116 CO 0.31 0.26 1.38 1.04 0.00 0.00 0.00 173.10 176.09