#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 0.24 0.06 1.61 4.57 -2.04 0.25 114.58 119.27 1klv h GLU 19 Ca 0.00 -0.01 -0.24 0.00 -1.18 0.00 0.00 59.36 57.92 1klv h GLU 19 Cb 0.00 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1klv h GLU 19 CO 0.00 0.16 -1.07 -0.22 -1.18 0.00 0.00 179.01 176.70 1klv h LYS 20 N 0.25 0.32 0.00 1.92 1.63 -2.03 -3.14 116.57 115.51 1klv h LYS 20 Ca 0.61 -0.42 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 1klv h LYS 20 Cb 1.29 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 33.06 1klv h LYS 20 CO -0.64 1.14 0.00 0.82 -3.45 0.00 0.00 179.45 177.32 1klv h ILE 21 N 0.14 0.00 0.10 2.00 5.03 -0.97 -2.59 117.51 121.22 1klv h ILE 21 Ca -0.10 -0.26 -0.32 0.00 -0.12 0.00 0.00 64.86 64.06 1klv h ILE 21 Cb 1.75 1.17 -0.02 0.00 -3.03 0.00 0.00 36.82 36.69 1klv h ILE 21 CO 0.18 0.00 -1.69 -0.09 -0.68 0.00 0.00 178.15 175.87 1klv h ARG 22 N 0.00 0.21 -0.67 2.37 1.12 -1.09 -0.10 114.38 116.22 1klv h ARG 22 Ca 0.00 -0.37 -0.07 0.00 -1.11 0.00 0.00 59.98 58.43 1klv h ARG 22 Cb 0.27 0.14 -0.03 0.00 -0.01 0.00 0.00 29.97 30.34 1klv h ARG 22 CO 0.00 1.04 0.15 -0.22 -3.11 0.00 0.00 179.97 177.83 1klv h LYS 23 N 0.06 1.08 0.17 0.20 1.63 -1.43 -1.10 116.57 117.18 1klv h LYS 23 Ca -0.30 -0.27 -0.33 0.00 -0.85 0.00 0.00 60.65 58.91 1klv h LYS 23 Cb 2.02 -0.14 0.01 0.00 -0.60 0.00 0.00 32.23 33.52 1klv h LYS 23 CO 0.13 0.97 -1.63 0.87 -3.45 0.00 0.00 179.45 176.34 1klv h LYS 24 N 1.01 0.36 -2.37 1.90 1.57 -1.62 -3.39 116.57 114.03 1klv h LYS 24 Ca 0.21 -0.62 -0.66 0.00 -1.87 0.00 0.00 60.65 57.71 1klv h LYS 24 Cb 0.38 0.23 -0.38 0.00 0.08 0.00 0.00 32.23 32.54 1klv h LYS 24 CO 0.00 1.30 -0.20 0.66 -0.57 0.00 0.00 179.45 180.64 1klv n TYR 25 N -3.70 3.34 1.28 -1.35 4.01 -0.05 -4.82 117.16 115.87 1klv n TYR 25 Ca -0.24 -3.69 0.11 0.00 -0.16 0.00 0.00 57.90 53.91 1klv n TYR 25 Cb 1.02 -0.74 0.61 0.00 -0.31 0.00 0.00 39.34 39.93 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 0.76 0.61 -0.05 -0.72 -0.04 -0.42 -2.45 135.00 132.69 1klv n PRO 26 Ca 0.30 0.01 0.02 0.00 -0.04 0.00 0.00 63.50 63.79 1klv n PRO 26 Cb 0.38 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.39 1klv n PRO 26 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1klv n ASP 27 N -1.04 2.20 -2.34 3.54 9.92 -1.26 -5.03 116.55 122.55 1klv n ASP 27 Ca 0.15 -1.91 -0.03 0.00 -0.53 0.00 0.00 54.79 52.47 1klv n ASP 27 Cb 0.08 -0.07 0.01 0.00 -0.64 0.00 0.00 41.12 40.51 1klv n ASP 27 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1klv n ARG 28 N -0.12 0.62 -3.44 -1.24 3.00 -1.03 -2.72 116.66 111.74 1klv n ARG 28 Ca 0.04 -0.36 -0.15 0.00 -0.01 0.00 0.00 57.85 57.37 1klv n ARG 28 Cb 0.29 -0.07 -0.11 0.00 0.00 0.00 0.00 32.46 32.56 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 -0.02 -0.43 -1.13 1.55 1.01 0.22 -4.54 120.40 117.07 1klv s VAL 29 Ca 0.08 -0.13 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 1klv s VAL 29 Cb -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.63 1klv s VAL 29 CO 0.05 -0.20 1.76 -2.16 0.00 0.00 0.00 175.10 174.56 1klv s PRO 30 N 2.41 3.24 0.02 2.72 0.04 -1.26 -2.55 135.00 139.61 1klv s PRO 30 Ca 0.09 -1.27 -0.27 0.00 0.04 0.00 0.00 61.00 59.59 1klv s PRO 30 Cb -0.15 -5.33 -0.04 0.00 0.04 0.00 0.00 34.50 29.01 1klv s PRO 30 CO -0.15 -2.91 0.86 0.14 0.04 0.00 0.00 177.00 174.98 1klv s VAL 31 N 7.26 4.81 0.04 -0.36 -7.23 -0.66 -2.63 120.40 121.63 1klv s VAL 31 Ca 0.59 1.81 -0.12 0.00 -1.81 0.00 0.00 61.98 62.45 1klv s VAL 31 Cb -0.00 -4.20 -0.06 0.00 0.56 0.00 0.00 36.38 32.68 1klv s VAL 31 CO 0.04 0.26 0.40 -0.63 -0.31 0.00 0.00 175.10 174.86 1klv s ILE 32 N 0.50 5.07 0.08 -0.62 -1.09 -0.29 -1.18 121.20 123.67 1klv s ILE 32 Ca 0.44 0.62 0.08 0.00 -2.23 0.00 0.00 60.65 59.56 1klv s ILE 32 Cb -0.21 -3.67 -0.03 0.00 -1.58 0.00 0.00 42.46 36.98 1klv s ILE 32 CO 0.25 0.42 -0.21 0.54 -1.23 0.00 0.00 174.94 174.71 1klv s VAL 33 N -1.25 1.72 0.16 2.92 0.11 -0.71 -0.75 120.40 122.60 1klv s VAL 33 Ca 0.29 -1.42 -0.05 0.00 -2.93 0.00 0.00 61.98 57.87 1klv s VAL 33 Cb -0.15 -1.54 0.02 0.00 -1.53 0.00 0.00 36.38 33.18 1klv s VAL 33 CO 0.16 0.05 0.29 1.21 -3.33 0.00 0.00 175.10 173.48 1klv n GLU 34 N 1.38 0.42 -4.45 1.54 2.13 -0.04 -4.68 120.64 116.93 1klv n GLU 34 Ca -0.19 -1.01 -0.23 0.00 0.66 0.00 0.00 57.16 56.39 1klv n GLU 34 Cb 0.53 1.16 -0.10 0.00 0.27 0.00 0.00 31.44 33.30 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 -2.13 1.63 0.67 5.31 2.47 -1.26 -1.98 119.74 124.44 1klv s LYS 35 Ca 0.08 -1.75 -0.11 0.00 -1.56 0.00 0.00 55.97 52.63 1klv s LYS 35 Cb -0.02 -1.62 0.17 0.00 -1.46 0.00 0.00 37.83 34.90 1klv s LYS 35 CO 0.06 0.28 0.48 0.00 0.16 0.00 0.00 175.35 176.33 1klv n ALA 36 N -0.59 -2.14 -2.14 3.13 0.00 -0.98 -4.76 120.51 113.03 1klv n ALA 36 Ca -0.06 -0.78 -0.43 0.00 0.00 0.00 0.00 53.44 52.18 1klv n ALA 36 Cb 0.61 -0.06 -0.02 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 -4.12 3.58 -1.18 0.00 0.04 -1.26 -2.91 135.00 129.15 1klv s PRO 37 Ca 0.34 1.39 -0.06 0.00 0.04 0.00 0.00 61.00 62.71 1klv s PRO 37 Cb -0.05 -4.09 0.01 0.00 0.04 0.00 0.00 34.50 30.41 1klv s PRO 37 CO 0.27 -1.56 1.02 1.63 0.04 0.00 0.00 177.00 178.40 1klv n LYS 38 N 8.04 -6.84 -0.23 4.56 5.02 -1.26 -4.97 118.16 122.47 1klv n LYS 38 Ca 0.20 0.74 -0.18 0.00 -2.02 0.00 0.00 58.31 57.05 1klv n LYS 38 Cb 0.46 -5.51 0.18 0.00 -0.02 0.00 0.00 35.03 30.14 1klv n LYS 38 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1klv n ALA 39 N -4.52 -3.14 -2.23 7.82 0.00 -1.15 -4.99 120.51 112.31 1klv n ALA 39 Ca -0.05 -0.91 -0.00 0.00 0.00 0.00 0.00 53.44 52.47 1klv n ALA 39 Cb 0.58 -0.08 -0.01 0.00 0.00 0.00 0.00 19.45 19.93 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 -3.47 0.00 -2.58 0.00 1.85 -1.26 -5.03 116.66 106.16 1klv n ARG 40 Ca 0.08 -1.39 -0.23 0.00 -1.00 0.00 0.00 57.85 55.31 1klv n ARG 40 Cb 0.36 0.11 0.10 0.00 -1.05 0.00 0.00 32.46 31.98 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 0.00 2.21 0.72 8.89 -5.25 -1.26 -4.96 121.20 121.54 1klv s ILE 41 Ca 0.16 -0.59 -0.10 0.00 -0.99 0.00 0.00 60.65 59.13 1klv s ILE 41 Cb 0.18 -2.62 0.15 0.00 2.95 0.00 0.00 42.46 43.13 1klv s ILE 41 CO -0.08 0.00 0.35 0.61 -1.79 0.00 0.00 174.94 174.03 1klv n GLY 42 N -2.78 -2.36 0.53 6.27 0.00 -0.30 -4.99 105.19 101.55 1klv n GLY 42 Ca 0.14 -0.77 -0.04 0.00 0.00 0.00 0.00 46.02 45.35 1klv n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1klv n ASP 43 N -2.19 0.02 -3.83 1.61 2.03 -1.26 -4.77 116.55 108.16 1klv n ASP 43 Ca 0.06 -1.07 -0.13 0.00 0.52 0.00 0.00 54.79 54.17 1klv n ASP 43 Cb 0.24 -0.14 -0.13 0.00 -0.72 0.00 0.00 41.12 40.37 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 1.56 -0.00 -2.67 2.01 -1.25 -4.01 118.68 114.32 1klv s LEU 44 Ca 0.10 0.17 0.04 0.00 0.01 0.00 0.00 54.13 54.45 1klv s LEU 44 Cb -0.00 0.27 -0.25 0.00 0.01 0.00 0.00 46.19 46.22 1klv s LEU 44 CO 0.07 -0.05 0.83 0.44 1.01 0.00 0.00 176.35 178.65 1klv h ASP 45 N 6.21 0.18 -5.01 2.29 3.32 -1.96 -3.48 116.42 117.97 1klv h ASP 45 Ca -0.28 -0.28 -0.09 0.00 0.02 0.00 0.00 57.03 56.40 1klv h ASP 45 Cb 1.19 -0.06 -0.19 0.00 0.22 0.00 0.00 39.33 40.50 1klv h ASP 45 CO 0.46 1.24 -0.13 -1.59 -1.72 0.00 0.00 179.24 177.50 1klv s LYS 46 N -2.62 0.84 -0.53 3.56 -2.85 -1.26 -5.06 119.74 111.81 1klv s LYS 46 Ca -0.07 -0.18 0.03 0.00 -1.00 0.00 0.00 55.97 54.75 1klv s LYS 46 Cb 0.08 0.38 0.42 0.00 -2.06 0.00 0.00 37.83 36.64 1klv s LYS 46 CO 0.83 -0.26 1.47 1.63 0.10 0.00 0.00 175.35 179.12 1klv n LYS 47 N 0.91 3.21 -3.15 1.78 4.01 -1.26 -4.90 118.16 118.77 1klv n LYS 47 Ca -0.20 -4.02 0.05 0.00 -0.51 0.00 0.00 58.31 53.63 1klv n LYS 47 Cb 0.58 -2.27 -0.01 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 -3.72 0.40 -0.08 1.97 -2.85 -1.26 -1.74 119.74 112.46 1klv s LYS 48 Ca 0.52 0.70 -0.02 0.00 -1.00 0.00 0.00 55.97 56.17 1klv s LYS 48 Cb 0.43 0.39 -0.03 0.00 -2.06 0.00 0.00 37.83 36.55 1klv s LYS 48 CO -0.16 -0.45 0.03 0.71 0.10 0.00 0.00 175.35 175.58 1klv s TYR 49 N 2.90 3.23 -0.70 1.78 1.51 -0.33 -4.94 117.35 120.81 1klv s TYR 49 Ca 0.11 0.24 -0.11 0.00 -1.01 0.00 0.00 57.07 56.30 1klv s TYR 49 Cb -0.13 -1.80 0.18 0.00 -0.11 0.00 0.00 41.96 40.10 1klv s TYR 49 CO -0.17 0.51 0.60 -1.17 -1.11 0.00 0.00 175.55 174.22 1klv s LEU 50 N -0.96 6.22 0.13 -1.29 2.96 -1.26 -1.66 118.68 122.81 1klv s LEU 50 Ca 0.14 -2.49 0.09 0.00 -0.22 0.00 0.00 54.13 51.64 1klv s LEU 50 Cb -0.11 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1klv s LEU 50 CO 0.03 -0.59 -0.16 0.68 -1.32 0.00 0.00 176.35 175.00 1klv s VAL 51 N 0.48 2.95 0.50 1.68 -7.23 -1.06 -4.84 120.40 112.88 1klv s VAL 51 Ca 0.14 -1.51 -0.21 0.00 -1.81 0.00 0.00 61.98 58.59 1klv s VAL 51 Cb -0.17 -2.38 -0.07 0.00 0.56 0.00 0.00 36.38 34.32 1klv s VAL 51 CO -0.05 0.06 1.13 -2.16 -0.31 0.00 0.00 175.10 173.77 1klv s PRO 52 N -2.28 3.59 0.40 4.82 0.04 -1.26 0.72 135.00 141.03 1klv s PRO 52 Ca 0.20 1.64 0.28 0.00 0.04 0.00 0.00 61.00 63.15 1klv s PRO 52 Cb -0.10 -2.19 1.41 0.00 0.04 0.00 0.00 34.50 33.66 1klv s PRO 52 CO 0.11 -0.66 1.84 0.77 0.04 0.00 0.00 177.00 179.10 1klv h SER 53 N 1.61 0.00 1.06 6.66 0.02 -1.75 -1.74 113.55 119.42 1klv h SER 53 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1klv h SER 53 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1klv h SER 53 CO 0.59 0.00 -0.25 -0.67 -1.14 0.00 0.00 176.83 175.35 1klv n ASP 54 N -2.48 0.57 -4.77 3.07 2.03 -1.26 -1.07 116.55 112.64 1klv n ASP 54 Ca -0.01 0.31 -0.40 0.00 0.52 0.00 0.00 54.79 55.21 1klv n ASP 54 Cb 0.10 -0.31 -0.00 0.00 -0.72 0.00 0.00 41.12 40.19 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 -3.92 4.27 0.32 -2.67 1.43 -0.65 -4.85 118.68 112.61 1klv s LEU 55 Ca 0.10 2.92 -0.07 0.00 -1.03 0.00 0.00 54.13 56.06 1klv s LEU 55 Cb 0.15 -3.76 -0.06 0.00 0.03 0.00 0.00 46.19 42.55 1klv s LEU 55 CO 0.63 -0.90 0.61 0.42 0.23 0.00 0.00 176.35 177.35 1klv s THR 56 N -1.16 4.96 0.65 5.49 -4.23 -1.26 -0.88 115.64 119.21 1klv s THR 56 Ca 0.55 0.22 0.29 0.00 -1.18 0.00 0.00 61.69 61.56 1klv s THR 56 Cb -0.44 -3.73 0.31 0.00 1.34 0.00 0.00 72.50 69.98 1klv s THR 56 CO 0.58 -0.37 1.89 0.58 -0.54 0.00 0.00 174.62 176.76 1klv h VAL 57 N 1.30 0.08 -0.24 2.29 2.07 -1.53 0.92 116.25 121.14 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 1.19 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1klv h VAL 57 CO 0.66 0.00 -0.52 1.23 0.02 0.00 0.00 177.57 178.96 1klv h GLY 58 N 0.00 0.84 0.75 2.17 0.00 -1.85 -1.66 103.07 103.32 1klv h GLY 58 Ca 0.04 -1.02 -0.03 0.00 0.00 0.00 0.00 47.33 46.32 1klv h GLY 58 CO -0.00 0.91 -0.05 1.46 0.00 0.00 0.00 176.54 178.86 1klv h GLN 59 N 0.50 0.28 -0.34 4.80 1.08 -1.19 -3.04 115.11 117.21 1klv h GLN 59 Ca 0.00 -0.11 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1klv h GLN 59 Cb 1.13 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.53 1klv h GLN 59 CO 0.11 0.58 0.20 0.35 -0.95 0.00 0.00 178.83 179.13 1klv h PHE 60 N -0.03 0.44 -0.19 2.96 3.57 -1.55 -0.33 116.94 121.81 1klv h PHE 60 Ca 0.03 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.59 1klv h PHE 60 Cb 0.49 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1klv h PHE 60 CO 0.06 0.32 0.48 -0.92 -2.23 0.00 0.00 178.31 176.02 1klv h TYR 61 N 0.44 0.00 0.03 0.41 5.03 -1.25 -0.77 116.97 120.85 1klv h TYR 61 Ca 0.12 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.43 1klv h TYR 61 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.28 1klv h TYR 61 CO -0.04 0.00 -0.01 0.35 -1.32 0.00 0.00 178.16 177.14 1klv h PHE 62 N 0.00 -0.03 -0.00 -3.82 3.57 -0.95 -2.47 116.94 113.24 1klv h PHE 62 Ca 0.09 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1klv h PHE 62 Cb 1.06 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.81 1klv h PHE 62 CO 0.00 0.52 0.00 1.37 -2.23 0.00 0.00 178.31 177.98 1klv h LEU 63 N -0.98 0.00 0.10 0.59 8.10 -0.93 -2.18 115.31 120.01 1klv h LEU 63 Ca -0.00 0.00 -0.35 0.00 0.11 0.00 0.00 57.88 57.64 1klv h LEU 63 Cb 0.57 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.77 1klv h LEU 63 CO 0.01 0.00 -1.92 -0.38 -4.11 0.00 0.00 178.44 172.03 1klv n ILE 64 N -3.14 1.75 -0.33 0.15 5.41 -0.92 -3.84 119.36 118.44 1klv n ILE 64 Ca -0.03 -0.69 -0.09 0.00 1.00 0.00 0.00 62.75 62.94 1klv n ILE 64 Cb 0.07 -1.57 -0.08 0.00 -0.71 0.00 0.00 39.64 37.36 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 -3.38 -0.34 0.16 0.38 1.74 -0.82 0.13 116.66 114.53 1klv n ARG 65 Ca -0.28 1.30 0.03 0.00 -0.77 0.00 0.00 57.85 58.12 1klv n ARG 65 Cb 1.05 -1.91 0.40 0.00 -1.02 0.00 0.00 32.46 30.98 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 0.11 0.00 5.56 6.56 -1.76 -1.03 116.57 126.01 1klv h LYS 66 Ca 0.12 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 1klv h LYS 66 Cb 0.32 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 1klv h LYS 66 CO -0.73 0.34 0.00 0.00 -2.06 0.00 0.00 179.45 177.00 1klv h ARG 67 N 0.11 0.00 -0.68 3.15 2.47 0.96 -1.48 114.38 118.90 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 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 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 -2.60 1.71 -3.07 2.04 2.08 0.91 -3.86 119.36 116.58 1klv n ILE 68 Ca 0.01 -1.15 -0.18 0.00 0.56 0.00 0.00 62.75 61.98 1klv n ILE 68 Cb 0.21 0.17 -0.01 0.00 -0.75 0.00 0.00 39.64 39.27 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 1.24 -1.69 -4.24 1.39 -0.00 -0.56 -1.15 115.22 110.20 1klv n HIS 69 Ca 0.26 0.29 -0.26 0.00 0.46 0.00 0.00 57.72 58.47 1klv n HIS 69 Cb 0.86 -2.51 -0.08 0.00 -0.12 0.00 0.00 29.99 28.14 1klv n HIS 69 CO 0.00 0.00 0.00 -0.48 0.46 0.00 0.00 176.34 176.32 1klv s LEU 70 N -6.07 3.21 0.00 0.27 0.05 -1.20 -4.66 118.68 110.29 1klv s LEU 70 Ca 0.26 -0.48 -0.04 0.00 0.05 0.00 0.00 54.13 53.91 1klv s LEU 70 Cb -0.14 -1.85 0.02 0.00 -2.05 0.00 0.00 46.19 42.16 1klv s LEU 70 CO 0.32 0.07 0.21 -2.11 -0.55 0.00 0.00 176.35 174.30 1klv n ARG 71 N -0.23 0.18 0.00 1.48 1.85 -1.26 -4.57 116.66 114.11 1klv n ARG 71 Ca -0.09 -0.39 0.00 0.00 -1.00 0.00 0.00 57.85 56.37 1klv n ARG 71 Cb 0.56 0.51 0.00 0.00 -1.05 0.00 0.00 32.46 32.48 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 -2.48 0.00 -2.42 2.89 0.00 -1.26 -1.54 120.51 115.71 1klv n ALA 72 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.41 1klv n ALA 72 Cb 0.13 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.59 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 0.33 -0.48 0.00 0.28 -1.26 -5.12 120.64 114.39 1klv n GLU 73 Ca 0.00 -1.86 -0.24 0.00 -0.16 0.00 0.00 57.16 54.91 1klv n GLU 73 Cb 0.00 -0.04 0.19 0.00 1.43 0.00 0.00 31.44 33.02 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 0.06 -3.11 -4.37 -1.84 -0.08 -0.59 -4.99 116.55 101.62 1klv n ASP 74 Ca -0.05 -0.45 -0.32 0.00 -1.51 0.00 0.00 54.79 52.46 1klv n ASP 74 Cb 0.95 -0.87 -0.15 0.00 2.34 0.00 0.00 41.12 43.39 1klv n ASP 74 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1klv s ALA 75 N -2.12 2.37 -0.02 -1.67 0.00 -1.26 -4.99 121.76 114.06 1klv s ALA 75 Ca 0.48 -1.05 -0.28 0.00 0.00 0.00 0.00 51.96 51.10 1klv s ALA 75 Cb -0.09 -0.74 0.09 0.00 0.00 0.00 0.00 23.12 22.38 1klv s ALA 75 CO 0.46 0.52 0.81 -1.17 0.00 0.00 0.00 175.76 176.37 1klv s LEU 76 N -0.58 -0.48 -0.21 0.00 2.96 -1.26 -4.53 118.68 114.58 1klv s LEU 76 Ca 0.08 0.27 -0.09 0.00 -0.22 0.00 0.00 54.13 54.17 1klv s LEU 76 Cb -0.11 2.22 0.09 0.00 0.50 0.00 0.00 46.19 48.89 1klv s LEU 76 CO 0.00 -0.62 0.47 -0.36 -1.32 0.00 0.00 176.35 174.53 1klv s PHE 77 N -2.31 -0.85 0.01 5.38 0.08 -0.22 -4.96 117.98 115.11 1klv s PHE 77 Ca -0.01 1.64 -0.25 0.00 0.12 0.00 0.00 56.93 58.42 1klv s PHE 77 Cb -0.01 0.40 -0.05 0.00 -0.57 0.00 0.00 43.02 42.79 1klv s PHE 77 CO -0.03 -0.48 0.77 -0.06 -0.10 0.00 0.00 175.22 175.32 1klv s PHE 78 N 2.27 3.68 -0.18 0.36 0.08 -1.26 -2.58 117.98 120.36 1klv s PHE 78 Ca -0.05 1.44 0.01 0.00 0.12 0.00 0.00 56.93 58.45 1klv s PHE 78 Cb -0.11 -2.85 0.02 0.00 -0.57 0.00 0.00 43.02 39.52 1klv s PHE 78 CO -0.14 0.19 -0.19 -0.06 -0.10 0.00 0.00 175.22 174.91 1klv s PHE 79 N 0.30 2.74 -0.11 0.36 0.08 -0.34 -4.70 117.98 116.31 1klv s PHE 79 Ca 0.40 -1.63 0.03 0.00 0.12 0.00 0.00 56.93 55.85 1klv s PHE 79 Cb -0.20 -1.89 0.01 0.00 -0.57 0.00 0.00 43.02 40.36 1klv s PHE 79 CO 0.22 -0.80 -0.22 0.08 -0.10 0.00 0.00 175.22 174.40 1klv s VAL 80 N 1.30 1.98 -1.42 -0.44 1.01 -0.65 -2.50 120.40 119.68 1klv s VAL 80 Ca 0.05 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 1klv s VAL 80 Cb -0.13 -1.73 0.04 0.00 0.00 0.00 0.00 36.38 34.56 1klv s VAL 80 CO -0.13 0.54 0.57 -3.20 0.00 0.00 0.00 175.10 172.88 1klv n ASN 81 N 3.77 -4.96 -2.13 3.32 5.15 -1.26 -0.50 115.26 118.65 1klv n ASN 81 Ca -0.20 -0.34 -0.17 0.00 -0.60 0.00 0.00 54.58 53.27 1klv n ASN 81 Cb 0.52 -4.04 0.01 0.00 -0.53 0.00 0.00 39.78 35.74 1klv n ASN 81 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1klv n ASN 82 N -2.42 -5.05 -4.22 1.20 5.15 -1.26 -4.99 115.26 103.66 1klv n ASN 82 Ca -0.06 -0.10 -0.16 0.00 -0.60 0.00 0.00 54.58 53.65 1klv n ASN 82 Cb 0.58 -4.05 -0.10 0.00 -0.53 0.00 0.00 39.78 35.68 1klv n ASN 82 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1klv s VAL 83 N -2.92 0.41 -0.48 3.44 1.01 0.34 -5.11 120.40 117.09 1klv s VAL 83 Ca 0.10 -2.00 0.06 0.00 0.00 0.00 0.00 61.98 60.14 1klv s VAL 83 Cb -0.04 -2.59 0.21 0.00 0.00 0.00 0.00 36.38 33.96 1klv s VAL 83 CO 0.12 0.00 0.70 -0.38 0.00 0.00 0.00 175.10 175.54 1klv n ILE 84 N -0.46 -0.27 -1.46 2.22 -0.00 -1.26 -1.63 119.36 116.50 1klv n ILE 84 Ca 0.01 -1.90 -0.30 0.00 -0.00 0.00 0.00 62.75 60.55 1klv n ILE 84 Cb 0.66 0.41 0.10 0.00 -0.00 0.00 0.00 39.64 40.80 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 0.44 2.02 1.12 0.38 0.04 -1.26 -5.05 135.00 132.69 1klv s PRO 85 Ca 0.32 0.75 -0.18 0.00 0.04 0.00 0.00 61.00 61.93 1klv s PRO 85 Cb 0.10 -1.90 0.26 0.00 0.04 0.00 0.00 34.50 33.00 1klv s PRO 85 CO -0.15 -1.69 1.17 -1.25 0.04 0.00 0.00 177.00 175.13 1klv s PRO 86 N -5.08 -0.60 -0.11 0.56 0.04 -1.26 -4.92 135.00 123.63 1klv s PRO 86 Ca 0.61 -0.16 0.05 0.00 0.04 0.00 0.00 61.00 61.54 1klv s PRO 86 Cb -0.15 -1.68 0.31 0.00 0.04 0.00 0.00 34.50 33.02 1klv s PRO 86 CO 0.55 -3.28 1.07 0.25 0.04 0.00 0.00 177.00 175.62 1klv n THR 87 N -4.44 1.25 -0.63 1.26 -2.24 -1.26 -4.28 114.28 103.94 1klv n THR 87 Ca 0.14 -0.59 -0.15 0.00 -2.27 0.00 0.00 64.05 61.17 1klv n THR 87 Cb 0.59 -0.49 0.06 0.00 -2.10 0.00 0.00 70.33 68.39 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 0.17 5.46 -1.08 3.42 2.88 -1.26 -4.33 113.62 118.88 1klv n SER 88 Ca 0.13 -2.99 -0.01 0.00 -1.33 0.00 0.00 58.87 54.68 1klv n SER 88 Cb 0.69 -0.93 -0.00 0.00 -0.75 0.00 0.00 64.21 63.23 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 0.11 -0.01 -2.92 -1.46 0.00 -1.26 -5.05 120.51 109.92 1klv n ALA 89 Ca 0.30 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.56 1klv n ALA 89 Cb 0.74 0.06 -0.12 0.00 0.00 0.00 0.00 19.45 20.13 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 -2.39 0.19 0.24 0.00 -4.23 -1.26 -1.73 115.64 106.46 1klv s THR 90 Ca 0.01 -0.68 -0.07 0.00 -1.18 0.00 0.00 61.69 59.77 1klv s THR 90 Cb -0.00 -0.27 0.26 0.00 1.34 0.00 0.00 72.50 73.83 1klv s THR 90 CO 0.01 -0.32 1.65 0.24 -0.54 0.00 0.00 174.62 175.66 1klv h MET 91 N 5.07 0.13 -0.94 3.99 2.86 -1.17 0.10 114.93 124.98 1klv h MET 91 Ca -0.31 -0.01 0.27 0.00 -2.06 0.00 0.00 59.70 57.60 1klv h MET 91 Cb 1.21 -0.03 -0.16 0.00 0.06 0.00 0.00 31.60 32.68 1klv h MET 91 CO 0.44 0.08 0.19 0.78 1.06 0.00 0.00 176.91 179.46 1klv h GLY 92 N 0.13 1.43 1.13 8.32 0.00 -1.27 0.92 103.07 113.73 1klv h GLY 92 Ca 0.41 0.03 -0.13 0.00 0.00 0.00 0.00 47.33 47.64 1klv h GLY 92 CO -0.63 -0.49 -0.18 1.46 0.00 0.00 0.00 176.54 176.71 1klv h GLN 93 N 0.10 1.00 -0.02 4.80 4.20 -0.95 -2.51 115.11 121.73 1klv h GLN 93 Ca 0.61 -0.41 0.01 0.00 0.06 0.00 0.00 58.65 58.92 1klv h GLN 93 Cb 1.31 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.05 1klv h GLN 93 CO -0.78 1.09 0.03 1.37 -0.67 0.00 0.00 178.83 179.87 1klv h LEU 94 N 0.87 0.00 -0.26 1.46 8.10 0.11 -2.77 115.31 122.82 1klv h LEU 94 Ca 0.12 0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.17 1klv h LEU 94 Cb 0.75 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.89 1klv h LEU 94 CO 0.06 0.00 -0.38 0.22 -4.11 0.00 0.00 178.44 174.23 1klv h TYR 95 N 0.00 -1.09 0.00 0.17 3.20 -0.77 0.17 116.97 118.65 1klv h TYR 95 Ca 0.01 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1klv h TYR 95 Cb 0.07 0.52 0.00 0.00 1.54 0.00 0.00 36.73 38.85 1klv h TYR 95 CO 0.00 -0.43 0.00 0.37 -1.64 0.00 0.00 178.16 176.46 1klv h GLN 96 N -0.38 0.00 0.00 1.82 4.15 -1.67 -3.07 115.11 115.96 1klv h GLN 96 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1klv h GLN 96 Cb 0.58 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.27 1klv h GLN 96 CO -0.46 0.00 -0.34 1.49 -1.93 0.00 0.00 178.83 177.59 1klv h GLU 97 N 0.00 0.00 -1.07 1.69 4.81 -0.74 -3.39 114.58 115.87 1klv h GLU 97 Ca 0.00 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.63 1klv h GLU 97 Cb 0.52 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 29.63 1klv h GLU 97 CO 0.00 0.00 0.78 0.72 -0.73 0.00 0.00 179.01 179.78 1klv n HIS 98 N -4.35 2.94 -1.27 0.92 8.25 0.26 -4.98 115.22 116.98 1klv n HIS 98 Ca -0.05 -2.71 -0.29 0.00 -0.26 0.00 0.00 57.72 54.41 1klv n HIS 98 Cb 0.18 -1.31 0.19 0.00 1.12 0.00 0.00 29.99 30.17 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 -3.43 1.63 0.01 4.41 -3.43 -1.16 -2.64 115.29 110.68 1klv s HIS 99 Ca 0.58 0.74 -0.12 0.00 -0.80 0.00 0.00 55.06 55.46 1klv s HIS 99 Cb 0.46 -3.42 0.02 0.00 -1.43 0.00 0.00 32.58 28.21 1klv s HIS 99 CO 0.01 -3.10 0.26 -1.21 -2.00 0.00 0.00 174.74 168.69 1klv s GLU 100 N -5.24 0.68 -0.88 -0.38 0.41 -1.23 -4.75 118.70 107.31 1klv s GLU 100 Ca 0.67 -0.39 -0.17 0.00 -0.41 0.00 0.00 54.97 54.67 1klv s GLU 100 Cb -0.14 0.29 -0.24 0.00 -1.78 0.00 0.00 34.13 32.27 1klv s GLU 100 CO 0.56 -0.20 2.25 0.39 -0.49 0.00 0.00 175.26 177.77 1klv n GLU 101 N 1.00 0.26 0.00 1.61 1.02 -1.26 -3.37 120.64 119.90 1klv n GLU 101 Ca -0.20 -0.44 0.00 0.00 -0.02 0.00 0.00 57.16 56.50 1klv n GLU 101 Cb 0.57 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 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 12.01 0.00 0.00 1.62 9.92 -1.26 -5.05 116.55 133.79 1klv n ASP 102 Ca 0.56 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.82 1klv n ASP 102 Cb 0.29 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.77 1klv n ASP 102 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1klv n PHE 103 N 0.00 -1.13 -1.43 1.24 7.35 -1.22 -5.15 117.46 117.13 1klv n PHE 103 Ca 0.00 0.01 -0.19 0.00 -0.76 0.00 0.00 57.45 56.50 1klv n PHE 103 Cb 0.00 0.24 0.14 0.00 0.35 0.00 0.00 39.48 40.21 1klv n PHE 103 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1klv n PHE 104 N -2.45 -3.90 -3.69 -5.13 3.72 -1.26 -4.83 117.46 99.91 1klv n PHE 104 Ca 0.00 -0.74 -0.21 0.00 -0.05 0.00 0.00 57.45 56.44 1klv n PHE 104 Cb 0.00 -0.69 -0.04 0.00 -0.94 0.00 0.00 39.48 37.81 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 0.00 3.41 -0.09 4.37 0.05 -1.08 -3.56 118.68 121.79 1klv s LEU 105 Ca 0.49 -0.71 0.04 0.00 0.05 0.00 0.00 54.13 53.99 1klv s LEU 105 Cb -0.02 -2.03 0.00 0.00 -2.05 0.00 0.00 46.19 42.09 1klv s LEU 105 CO 0.35 -0.55 -0.22 -0.31 -0.55 0.00 0.00 176.35 175.07 1klv s TYR 106 N -2.44 2.30 -0.05 3.48 1.51 -1.08 -1.14 117.35 119.93 1klv s TYR 106 Ca 0.45 -0.90 -0.02 0.00 -1.01 0.00 0.00 57.07 55.60 1klv s TYR 106 Cb -0.03 -1.55 0.04 0.00 -0.11 0.00 0.00 41.96 40.30 1klv s TYR 106 CO 0.27 -0.36 0.09 0.42 -1.11 0.00 0.00 175.55 174.85 1klv s ILE 107 N 0.35 -0.09 0.31 2.71 1.01 0.07 -4.31 121.20 121.24 1klv s ILE 107 Ca -0.16 0.26 0.09 0.00 0.00 0.00 0.00 60.65 60.84 1klv s ILE 107 Cb -0.17 -0.17 -0.06 0.00 0.01 0.00 0.00 42.46 42.07 1klv s ILE 107 CO 0.07 0.11 -0.11 0.00 0.00 0.00 0.00 174.94 175.01 1klv s ALA 108 N 1.45 2.69 0.14 9.38 0.00 -1.04 -0.86 121.76 133.52 1klv s ALA 108 Ca -0.05 -1.97 -0.07 0.00 0.00 0.00 0.00 51.96 49.86 1klv s ALA 108 Cb -0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1klv s ALA 108 CO -0.04 0.08 0.21 1.52 0.00 0.00 0.00 175.76 177.53 1klv s TYR 109 N -2.72 0.44 0.24 0.00 1.13 -0.84 -1.20 117.35 114.40 1klv s TYR 109 Ca 0.31 -0.83 -0.08 0.00 -1.41 0.00 0.00 57.07 55.05 1klv s TYR 109 Cb 0.01 -0.15 0.03 0.00 -1.10 0.00 0.00 41.96 40.76 1klv s TYR 109 CO 0.14 -0.64 0.47 0.45 -2.51 0.00 0.00 175.55 173.46 1klv n SER 110 N -0.15 -1.35 -1.04 -0.18 2.88 -1.07 -2.32 113.62 110.39 1klv n SER 110 Ca -0.09 -1.97 0.04 0.00 -1.33 0.00 0.00 58.87 55.52 1klv n SER 110 Cb 0.63 2.26 0.07 0.00 -0.75 0.00 0.00 64.21 66.42 1klv n SER 110 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1klv n ASP 111 N -1.35 1.07 -4.65 -3.46 -0.08 -1.26 -1.06 116.55 105.76 1klv n ASP 111 Ca -0.05 -2.48 -0.28 0.00 -1.51 0.00 0.00 54.79 50.46 1klv n ASP 111 Cb 0.36 -0.34 0.19 0.00 2.34 0.00 0.00 41.12 43.67 1klv n ASP 111 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 1klv s GLU 112 N -0.89 0.18 -0.12 -0.67 1.03 -1.26 -4.85 118.70 112.12 1klv s GLU 112 Ca 0.29 0.50 0.08 0.00 0.03 0.00 0.00 54.97 55.88 1klv s GLU 112 Cb 0.31 -1.71 0.21 0.00 -0.80 0.00 0.00 34.13 32.14 1klv s GLU 112 CO -0.11 -2.90 1.19 0.45 -1.33 0.00 0.00 175.26 172.57 1klv n SER 113 N -4.29 -0.75 -4.83 0.83 2.88 -1.26 -4.99 113.62 101.22 1klv n SER 113 Ca 0.05 -2.07 -0.23 0.00 -1.33 0.00 0.00 58.87 55.29 1klv n SER 113 Cb 0.57 0.30 -0.04 0.00 -0.75 0.00 0.00 64.21 64.29 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 -0.21 2.39 -1.32 2.46 0.11 -1.26 -5.02 120.40 117.54 1klv s VAL 114 Ca 0.08 -1.49 -0.17 0.00 -2.93 0.00 0.00 61.98 57.47 1klv s VAL 114 Cb 0.20 -2.89 0.07 0.00 -1.53 0.00 0.00 36.38 32.23 1klv s VAL 114 CO -0.06 0.00 1.82 0.00 -3.33 0.00 0.00 175.10 173.52 1klv n TYR 115 N -1.46 4.48 0.00 1.54 9.36 -1.26 -4.89 117.16 124.93 1klv n TYR 115 Ca 0.01 -2.87 0.00 0.00 3.32 0.00 0.00 57.90 58.36 1klv n TYR 115 Cb 0.63 -2.62 0.00 0.00 -0.63 0.00 0.00 39.34 36.73 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 5.15 0.96 0.11 2.98 0.00 -1.26 -5.33 105.19 107.80 1klv n GLY 116 Ca 0.49 -0.56 0.16 0.00 0.00 0.00 0.00 46.02 46.11 1klv n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36