#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 0.00 0.07 1.61 3.07 -2.00 0.33 114.58 117.65 1klv h GLU 19 Ca 0.00 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.62 1klv h GLU 19 Cb 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 27.93 1klv h GLU 19 CO 0.00 0.00 -0.99 0.87 -1.40 0.00 0.00 179.01 177.49 1klv h LYS 20 N 0.00 0.55 0.00 2.33 1.79 -2.04 -2.85 116.57 116.36 1klv h LYS 20 Ca 0.13 -0.68 0.00 0.00 -2.18 0.00 0.00 60.65 57.92 1klv h LYS 20 Cb 1.32 0.22 0.00 0.00 -1.58 0.00 0.00 32.23 32.19 1klv h LYS 20 CO -0.00 1.28 0.00 0.82 -1.08 0.00 0.00 179.45 180.47 1klv h ILE 21 N 0.13 0.00 0.07 1.86 1.08 -0.75 -2.23 117.51 117.67 1klv h ILE 21 Ca -0.14 -0.12 -0.33 0.00 -0.39 0.00 0.00 64.86 63.87 1klv h ILE 21 Cb 1.69 0.81 -0.03 0.00 -3.07 0.00 0.00 36.82 36.22 1klv h ILE 21 CO 0.19 0.00 -1.88 0.54 -0.69 0.00 0.00 178.15 176.31 1klv n ARG 22 N -2.48 0.71 -0.09 2.37 5.12 -1.09 -1.14 116.66 120.05 1klv n ARG 22 Ca -0.01 0.27 -0.05 0.00 -1.93 0.00 0.00 57.85 56.14 1klv n ARG 22 Cb 0.12 -1.74 0.15 0.00 -1.16 0.00 0.00 32.46 29.83 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 0.04 0.75 0.03 5.56 3.64 -1.17 0.23 116.57 125.65 1klv h LYS 23 Ca -0.37 -0.23 -0.16 0.00 -1.27 0.00 0.00 60.65 58.62 1klv h LYS 23 Cb 2.03 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.76 1klv h LYS 23 CO 0.08 0.82 -0.84 0.87 -2.27 0.00 0.00 179.45 178.11 1klv h LYS 24 N 0.69 0.06 -2.24 1.90 1.57 -1.58 -3.39 116.57 113.59 1klv h LYS 24 Ca 0.12 -0.11 -0.67 0.00 -1.87 0.00 0.00 60.65 58.12 1klv h LYS 24 Cb 0.54 0.04 -0.36 0.00 0.08 0.00 0.00 32.23 32.53 1klv h LYS 24 CO 0.03 1.05 -0.02 0.66 -0.57 0.00 0.00 179.45 180.61 1klv n TYR 25 N -4.37 3.57 0.09 -1.35 4.01 -0.30 -4.78 117.16 114.03 1klv n TYR 25 Ca -0.22 -3.43 -0.02 0.00 -0.16 0.00 0.00 57.90 54.07 1klv n TYR 25 Cb 0.67 -0.74 0.23 0.00 -0.31 0.00 0.00 39.34 39.18 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 3.40 0.24 -0.51 -0.72 0.13 -0.69 -2.79 132.00 131.05 1klv h PRO 26 Ca 0.29 -0.11 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 1klv h PRO 26 Cb 0.44 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 1klv h PRO 26 CO 0.96 0.61 0.03 -3.47 -0.23 0.00 0.00 178.00 175.90 1klv n ASP 27 N -4.03 5.18 -3.55 1.44 2.03 -1.26 -4.97 116.55 111.39 1klv n ASP 27 Ca -0.01 -3.00 -0.20 0.00 0.52 0.00 0.00 54.79 52.10 1klv n ASP 27 Cb 0.47 -0.66 -0.04 0.00 -0.72 0.00 0.00 41.12 40.17 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 0.24 1.10 -3.52 -0.67 3.00 -1.05 -3.45 116.66 112.30 1klv n ARG 28 Ca 0.28 -2.34 -0.14 0.00 -0.01 0.00 0.00 57.85 55.64 1klv n ARG 28 Cb 1.15 0.77 -0.12 0.00 0.00 0.00 0.00 32.46 34.26 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 -2.26 -0.45 -1.08 1.55 1.01 0.14 -4.60 120.40 114.72 1klv s VAL 29 Ca 0.03 0.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.84 1klv s VAL 29 Cb 0.00 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.78 1klv s VAL 29 CO 0.02 -0.06 1.61 -2.16 0.00 0.00 0.00 175.10 174.51 1klv s PRO 30 N 2.43 3.49 0.40 2.72 0.04 -1.26 -2.62 135.00 140.21 1klv s PRO 30 Ca 0.06 -1.22 -0.16 0.00 0.04 0.00 0.00 61.00 59.71 1klv s PRO 30 Cb -0.14 -5.36 -0.09 0.00 0.04 0.00 0.00 34.50 28.95 1klv s PRO 30 CO -0.12 -2.47 0.85 0.14 0.04 0.00 0.00 177.00 175.44 1klv s VAL 31 N 5.80 4.59 0.26 -0.36 -7.23 -0.36 -2.66 120.40 120.44 1klv s VAL 31 Ca 0.52 1.09 0.07 0.00 -1.81 0.00 0.00 61.98 61.85 1klv s VAL 31 Cb 0.00 -3.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.26 1klv s VAL 31 CO -0.03 -0.38 0.20 -0.63 -0.31 0.00 0.00 175.10 173.95 1klv s ILE 32 N -2.23 4.36 0.00 -0.62 -1.09 0.39 -2.20 121.20 119.80 1klv s ILE 32 Ca 0.57 -1.41 0.02 0.00 -2.23 0.00 0.00 60.65 57.60 1klv s ILE 32 Cb -0.10 -3.38 -0.01 0.00 -1.58 0.00 0.00 42.46 37.40 1klv s ILE 32 CO 0.21 -0.34 -0.08 -0.69 -1.23 0.00 0.00 174.94 172.82 1klv s VAL 33 N -2.15 0.61 0.33 2.92 1.01 -0.32 -1.79 120.40 121.01 1klv s VAL 33 Ca 0.33 -0.41 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 1klv s VAL 33 Cb -0.08 -0.53 0.03 0.00 0.00 0.00 0.00 36.38 35.80 1klv s VAL 33 CO 0.25 0.12 0.66 -0.70 0.00 0.00 0.00 175.10 175.43 1klv s GLU 34 N -0.33 1.96 0.25 2.72 2.12 -0.43 -4.73 118.70 120.27 1klv s GLU 34 Ca 0.02 -1.38 0.06 0.00 0.36 0.00 0.00 54.97 54.04 1klv s GLU 34 Cb -0.04 0.56 -0.03 0.00 0.26 0.00 0.00 34.13 34.88 1klv s GLU 34 CO -0.00 -0.88 0.26 0.21 -0.54 0.00 0.00 175.26 174.31 1klv s LYS 35 N -3.09 3.10 0.64 4.30 2.47 -1.26 -2.18 119.74 123.72 1klv s LYS 35 Ca 0.19 -0.96 -0.11 0.00 -1.56 0.00 0.00 55.97 53.53 1klv s LYS 35 Cb -0.04 -2.68 0.16 0.00 -1.46 0.00 0.00 37.83 33.82 1klv s LYS 35 CO 0.12 0.39 0.42 0.00 0.16 0.00 0.00 175.35 176.44 1klv n ALA 36 N -1.28 -2.17 -2.09 3.13 0.00 -0.95 -4.79 120.51 112.36 1klv n ALA 36 Ca -0.08 -0.71 -0.40 0.00 0.00 0.00 0.00 53.44 52.25 1klv n ALA 36 Cb 0.58 -0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1klv n ALA 36 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1klv s PRO 37 N -3.99 2.95 -1.11 0.00 0.04 -1.26 -3.00 135.00 128.62 1klv s PRO 37 Ca 0.31 0.81 -0.07 0.00 0.04 0.00 0.00 61.00 62.09 1klv s PRO 37 Cb -0.05 -4.28 0.01 0.00 0.04 0.00 0.00 34.50 30.22 1klv s PRO 37 CO 0.25 -2.34 0.97 1.63 0.04 0.00 0.00 177.00 177.55 1klv n LYS 38 N 8.87 -6.55 -0.40 4.56 5.02 -1.26 -4.98 118.16 123.42 1klv n LYS 38 Ca 0.20 0.68 -0.31 0.00 -2.02 0.00 0.00 58.31 56.86 1klv n LYS 38 Cb 0.50 -5.28 0.29 0.00 -0.02 0.00 0.00 35.03 30.52 1klv n LYS 38 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1klv s ALA 39 N -3.26 -0.67 -0.16 7.82 0.00 -1.16 -5.00 121.76 119.32 1klv s ALA 39 Ca 0.48 -0.89 0.16 0.00 0.00 0.00 0.00 51.96 51.70 1klv s ALA 39 Cb -0.21 -2.91 0.35 0.00 0.00 0.00 0.00 23.12 20.35 1klv s ALA 39 CO 0.60 -4.62 1.22 2.89 0.00 0.00 0.00 175.76 175.85 1klv n ARG 40 N -5.66 0.84 -2.20 0.00 1.85 -1.26 -5.00 116.66 105.23 1klv n ARG 40 Ca 0.14 -1.95 -0.28 0.00 -1.00 0.00 0.00 57.85 54.76 1klv n ARG 40 Cb 0.60 -0.19 0.17 0.00 -1.05 0.00 0.00 32.46 32.00 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 -0.98 2.01 1.33 8.89 -0.00 -1.26 -4.88 121.20 126.30 1klv s ILE 41 Ca 0.17 -0.24 -0.21 0.00 -0.00 0.00 0.00 60.65 60.38 1klv s ILE 41 Cb 0.30 -2.77 0.33 0.00 -0.00 0.00 0.00 42.46 40.32 1klv s ILE 41 CO -0.08 0.00 0.74 0.61 -0.00 0.00 0.00 174.94 176.21 1klv n GLY 42 N -3.49 -3.44 0.00 6.27 0.00 -1.13 -4.99 105.19 98.41 1klv n GLY 42 Ca 0.17 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -4.63 -0.71 -3.93 1.61 -0.08 -1.24 -4.84 116.55 102.73 1klv n ASP 43 Ca 0.12 -0.40 -0.10 0.00 -1.51 0.00 0.00 54.79 52.90 1klv n ASP 43 Cb 0.51 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.86 1klv n ASP 43 CO 0.00 0.00 0.00 -1.48 0.12 0.00 0.00 177.20 175.84 1klv s LEU 44 N 0.00 1.99 -0.11 -2.67 -0.00 -1.23 -3.89 118.68 112.76 1klv s LEU 44 Ca 0.00 -0.29 -0.13 0.00 -0.00 0.00 0.00 54.13 53.71 1klv s LEU 44 Cb 0.00 0.24 -0.27 0.00 -0.00 0.00 0.00 46.19 46.16 1klv s LEU 44 CO 0.00 -0.25 0.50 -0.78 -0.00 0.00 0.00 176.35 175.82 1klv h ASP 45 N 4.92 0.39 -5.09 1.48 1.82 -1.93 -3.49 116.42 114.52 1klv h ASP 45 Ca -0.30 -0.86 -0.06 0.00 -0.39 0.00 0.00 57.03 55.42 1klv h ASP 45 Cb 1.21 -0.13 -0.13 0.00 0.68 0.00 0.00 39.33 40.95 1klv h ASP 45 CO 0.43 1.69 -0.14 -0.54 -1.61 0.00 0.00 179.24 179.07 1klv s LYS 46 N -2.50 1.01 -0.35 0.28 3.01 -1.26 -5.06 119.74 114.87 1klv s LYS 46 Ca -0.21 -0.73 0.06 0.00 -1.01 0.00 0.00 55.97 54.08 1klv s LYS 46 Cb 0.05 0.44 0.46 0.00 -1.01 0.00 0.00 37.83 37.77 1klv s LYS 46 CO 0.76 -0.38 1.32 0.36 0.51 0.00 0.00 175.35 177.93 1klv n LYS 47 N -0.13 3.45 -3.15 1.68 0.00 -1.26 -4.92 118.16 113.84 1klv n LYS 47 Ca -0.16 -4.03 0.04 0.00 -0.00 0.00 0.00 58.31 54.17 1klv n LYS 47 Cb 0.63 -2.27 -0.01 0.00 -0.00 0.00 0.00 35.03 33.38 1klv n LYS 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1klv s LYS 48 N -3.63 0.51 -0.04 -1.58 -2.85 -1.26 -1.18 119.74 109.71 1klv s LYS 48 Ca 0.53 0.80 0.00 0.00 -1.00 0.00 0.00 55.97 56.30 1klv s LYS 48 Cb 0.42 0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 36.59 1klv s LYS 48 CO 0.03 -0.66 -0.01 0.71 0.10 0.00 0.00 175.35 175.52 1klv s TYR 49 N 2.87 3.08 -0.35 1.78 1.51 -0.94 -4.97 117.35 120.33 1klv s TYR 49 Ca 0.16 0.11 -0.00 0.00 -1.01 0.00 0.00 57.07 56.33 1klv s TYR 49 Cb -0.13 -1.71 0.09 0.00 -0.11 0.00 0.00 41.96 40.10 1klv s TYR 49 CO -0.21 0.44 0.09 -0.51 -1.11 0.00 0.00 175.55 174.25 1klv s LEU 50 N -1.22 4.64 0.21 -1.29 1.02 -1.26 -1.22 118.68 119.56 1klv s LEU 50 Ca 0.16 -1.83 0.05 0.00 0.02 0.00 0.00 54.13 52.53 1klv s LEU 50 Cb -0.11 -1.72 -0.05 0.00 0.02 0.00 0.00 46.19 44.33 1klv s LEU 50 CO 0.06 -0.40 -0.07 0.68 0.02 0.00 0.00 176.35 176.65 1klv s VAL 51 N 1.10 1.28 0.48 -1.59 -7.23 -1.08 -4.87 120.40 108.48 1klv s VAL 51 Ca 0.04 -2.08 -0.23 0.00 -1.81 0.00 0.00 61.98 57.90 1klv s VAL 51 Cb -0.21 -2.15 -0.07 0.00 0.56 0.00 0.00 36.38 34.51 1klv s VAL 51 CO -0.05 -0.50 1.20 -2.16 -0.31 0.00 0.00 175.10 173.28 1klv s PRO 52 N -3.77 3.65 0.07 4.82 0.04 -1.26 0.26 135.00 138.81 1klv s PRO 52 Ca 0.24 1.85 0.09 0.00 0.04 0.00 0.00 61.00 63.21 1klv s PRO 52 Cb 0.03 -2.37 0.43 0.00 0.04 0.00 0.00 34.50 32.63 1klv s PRO 52 CO 0.06 -0.66 1.29 0.43 0.04 0.00 0.00 177.00 178.16 1klv n SER 53 N -0.59 0.14 -0.04 6.66 7.64 -1.22 -1.70 113.62 124.50 1klv n SER 53 Ca 0.08 0.55 0.14 0.00 1.01 0.00 0.00 58.87 60.65 1klv n SER 53 Cb 0.48 -0.58 0.55 0.00 -1.01 0.00 0.00 64.21 63.65 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 -1.67 0.26 -4.77 6.43 -0.08 -1.26 -0.98 116.55 114.47 1klv n ASP 54 Ca 0.01 -0.07 -0.40 0.00 -1.51 0.00 0.00 54.79 52.82 1klv n ASP 54 Cb 0.07 -0.18 0.00 0.00 2.34 0.00 0.00 41.12 43.36 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 -2.79 4.25 0.38 -2.67 1.43 -0.69 -4.86 118.68 113.73 1klv s LEU 55 Ca 0.19 2.88 -0.03 0.00 -1.03 0.00 0.00 54.13 56.15 1klv s LEU 55 Cb 0.19 -3.79 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 1klv s LEU 55 CO 0.54 -0.92 0.64 0.42 0.23 0.00 0.00 176.35 177.26 1klv s THR 56 N -1.18 5.01 0.61 5.49 -4.23 -1.26 -1.04 115.64 119.04 1klv s THR 56 Ca 0.56 -0.07 0.31 0.00 -1.18 0.00 0.00 61.69 61.30 1klv s THR 56 Cb -0.43 -3.83 0.37 0.00 1.34 0.00 0.00 72.50 69.95 1klv s THR 56 CO 0.57 -0.60 2.14 0.58 -0.54 0.00 0.00 174.62 176.77 1klv h VAL 57 N 0.73 0.37 -0.16 2.29 2.07 -1.64 0.69 116.25 120.60 1klv h VAL 57 Ca -0.48 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 66.90 1klv h VAL 57 Cb 1.21 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1klv h VAL 57 CO 0.63 0.00 -0.50 1.23 0.02 0.00 0.00 177.57 178.95 1klv h GLY 58 N 0.00 0.48 0.61 2.17 0.00 -1.86 -1.42 103.07 103.04 1klv h GLY 58 Ca 0.05 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1klv h GLY 58 CO -0.00 0.47 -0.02 1.46 0.00 0.00 0.00 176.54 178.45 1klv h GLN 59 N 0.35 -0.06 -0.53 4.80 1.08 -1.23 -2.91 115.11 116.61 1klv h GLN 59 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1klv h GLN 59 Cb 1.00 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.42 1klv h GLN 59 CO 0.09 0.33 0.34 0.35 -0.95 0.00 0.00 178.83 178.99 1klv h PHE 60 N -0.45 0.67 -0.83 2.96 3.57 -1.50 -0.71 116.94 120.65 1klv h PHE 60 Ca -0.01 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.68 1klv h PHE 60 Cb 0.41 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 38.87 1klv h PHE 60 CO 0.06 0.43 0.55 -0.92 -2.23 0.00 0.00 178.31 176.20 1klv h TYR 61 N 0.72 0.54 0.00 0.41 5.03 -1.06 -2.68 116.97 119.93 1klv h TYR 61 Ca 0.19 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.52 1klv h TYR 61 Cb -0.06 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.05 1klv h TYR 61 CO 0.00 0.18 -0.00 0.35 -1.32 0.00 0.00 178.16 177.37 1klv h PHE 62 N 0.44 -0.00 -0.94 -3.82 3.04 -1.00 -2.60 116.94 112.05 1klv h PHE 62 Ca 0.42 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.41 1klv h PHE 62 Cb 0.98 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 39.43 1klv h PHE 62 CO -0.00 0.89 0.62 1.37 -2.02 0.00 0.00 178.31 179.16 1klv h LEU 63 N -1.00 1.00 0.08 0.59 8.10 -1.28 -2.29 115.31 120.52 1klv h LEU 63 Ca -0.00 -0.01 -0.24 0.00 0.11 0.00 0.00 57.88 57.74 1klv h LEU 63 Cb 0.89 -0.22 0.02 0.00 -0.44 0.00 0.00 40.66 40.91 1klv h LEU 63 CO 0.00 0.68 -1.01 0.40 -4.11 0.00 0.00 178.44 174.40 1klv h ILE 64 N 1.16 1.35 -0.80 0.15 2.04 -1.64 -3.06 117.51 116.71 1klv h ILE 64 Ca 0.38 -2.36 0.14 0.00 1.00 0.00 0.00 64.86 64.03 1klv h ILE 64 Cb 0.06 2.72 -0.15 0.00 -0.74 0.00 0.00 36.82 38.71 1klv h ILE 64 CO -0.13 0.70 -0.29 0.03 0.00 0.00 0.00 178.15 178.47 1klv h ARG 65 N 0.10 -0.05 -0.45 2.37 3.08 -1.04 0.91 114.38 119.30 1klv h ARG 65 Ca -0.15 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 1klv h ARG 65 Cb 1.71 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.75 1klv h ARG 65 CO 0.19 -0.03 0.08 0.87 -1.07 0.00 0.00 179.97 180.01 1klv h LYS 66 N -0.05 0.68 0.00 0.04 1.57 -1.49 -0.68 116.57 116.64 1klv h LYS 66 Ca 0.34 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1klv h LYS 66 Cb 0.59 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1klv h LYS 66 CO -0.84 0.64 0.00 0.00 -0.57 0.00 0.00 179.45 178.69 1klv h ARG 67 N 0.66 0.00 -0.01 3.15 2.47 0.73 -1.69 114.38 119.69 1klv h ARG 67 Ca 0.15 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 1klv h ARG 67 Cb 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1klv h ARG 67 CO 0.00 0.00 -0.05 -0.89 0.56 0.00 0.00 179.97 179.59 1klv n ILE 68 N -2.42 0.00 -2.57 2.04 5.41 0.99 -3.40 119.36 119.40 1klv n ILE 68 Ca 0.02 -0.21 -0.18 0.00 1.00 0.00 0.00 62.75 63.38 1klv n ILE 68 Cb 0.25 0.41 -0.00 0.00 -0.71 0.00 0.00 39.64 39.59 1klv n ILE 68 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1klv n HIS 69 N -0.08 -1.34 -3.72 1.39 -0.00 -0.64 -2.82 115.22 108.01 1klv n HIS 69 Ca 0.18 0.11 -0.29 0.00 -0.00 0.00 0.00 57.72 57.72 1klv n HIS 69 Cb 0.34 -3.56 -0.04 0.00 -0.00 0.00 0.00 29.99 26.73 1klv n HIS 69 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.34 175.86 1klv s LEU 70 N -6.02 4.25 0.00 0.27 0.05 -1.23 -4.80 118.68 111.21 1klv s LEU 70 Ca 0.07 0.43 0.00 0.00 0.05 0.00 0.00 54.13 54.68 1klv s LEU 70 Cb -0.03 -3.18 0.00 0.00 -2.05 0.00 0.00 46.19 40.93 1klv s LEU 70 CO 0.09 0.00 0.00 -2.11 -0.55 0.00 0.00 176.35 173.78 1klv n ARG 71 N -0.39 0.00 0.00 1.48 1.85 -1.26 -4.83 116.66 113.51 1klv n ARG 71 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.81 1klv n ARG 71 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 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 -2.34 2.89 0.00 -1.26 -1.57 120.51 115.24 1klv n ALA 72 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1klv n ALA 72 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1klv n ALA 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1klv n GLU 73 N 0.00 0.48 -0.41 0.00 1.02 -1.26 -5.13 120.64 115.34 1klv n GLU 73 Ca 0.00 -1.50 -0.30 0.00 -0.02 0.00 0.00 57.16 55.34 1klv n GLU 73 Cb 0.00 0.17 0.28 0.00 -0.02 0.00 0.00 31.44 31.88 1klv n GLU 73 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1klv s ASP 74 N -1.51 -0.72 -0.09 1.62 -1.08 -0.60 -5.00 116.67 109.28 1klv s ASP 74 Ca 0.12 0.96 -0.03 0.00 -0.52 0.00 0.00 52.55 53.08 1klv s ASP 74 Cb 0.21 -1.39 -0.03 0.00 -1.46 0.00 0.00 42.92 40.25 1klv s ASP 74 CO -0.07 -5.17 0.03 0.00 0.52 0.00 0.00 175.17 170.49 1klv s ALA 75 N -2.32 3.42 0.02 3.66 0.00 -1.26 -4.97 121.76 120.31 1klv s ALA 75 Ca 0.69 -0.78 -0.14 0.00 0.00 0.00 0.00 51.96 51.72 1klv s ALA 75 Cb -0.15 -1.58 0.02 0.00 0.00 0.00 0.00 23.12 21.41 1klv s ALA 75 CO 0.59 0.60 0.31 -1.17 0.00 0.00 0.00 175.76 176.09 1klv s LEU 76 N -0.98 0.87 -0.30 0.00 2.96 -1.24 -3.86 118.68 116.13 1klv s LEU 76 Ca 0.14 -0.07 -0.11 0.00 -0.22 0.00 0.00 54.13 53.87 1klv s LEU 76 Cb -0.11 1.32 0.13 0.00 0.50 0.00 0.00 46.19 48.02 1klv s LEU 76 CO 0.04 -0.54 0.71 -0.36 -1.32 0.00 0.00 176.35 174.88 1klv s PHE 77 N -2.03 -1.21 -0.22 5.38 0.08 0.27 -4.85 117.98 115.40 1klv s PHE 77 Ca -0.09 2.11 -0.17 0.00 0.12 0.00 0.00 56.93 58.91 1klv s PHE 77 Cb -0.03 0.72 -0.03 0.00 -0.57 0.00 0.00 43.02 43.11 1klv s PHE 77 CO -0.00 -0.60 0.46 -0.06 -0.10 0.00 0.00 175.22 174.92 1klv s PHE 78 N 2.73 3.34 -0.11 0.36 0.08 -1.26 -1.05 117.98 122.06 1klv s PHE 78 Ca -0.06 0.65 0.00 0.00 0.12 0.00 0.00 56.93 57.64 1klv s PHE 78 Cb -0.10 -2.62 -0.02 0.00 -0.57 0.00 0.00 43.02 39.71 1klv s PHE 78 CO -0.19 -0.12 -0.13 -0.06 -0.10 0.00 0.00 175.22 174.62 1klv s PHE 79 N 1.71 2.80 -0.23 0.36 0.40 -0.35 -4.74 117.98 117.93 1klv s PHE 79 Ca 0.21 -0.53 0.02 0.00 -0.60 0.00 0.00 56.93 56.03 1klv s PHE 79 Cb -0.15 -1.80 0.05 0.00 0.51 0.00 0.00 43.02 41.62 1klv s PHE 79 CO 0.09 -0.12 -0.13 0.08 0.70 0.00 0.00 175.22 175.84 1klv s VAL 80 N 0.12 2.02 -1.19 -0.44 1.01 -0.68 -2.11 120.40 119.13 1klv s VAL 80 Ca -0.06 -1.35 -0.01 0.00 0.00 0.00 0.00 61.98 60.56 1klv s VAL 80 Cb -0.15 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 1klv s VAL 80 CO 0.05 0.13 0.95 -3.20 0.00 0.00 0.00 175.10 173.03 1klv n ASN 81 N 4.53 -2.57 -2.58 3.32 2.85 -1.26 -1.83 115.26 117.73 1klv n ASN 81 Ca -0.16 -0.66 -0.18 0.00 -0.11 0.00 0.00 54.58 53.47 1klv n ASN 81 Cb 0.45 -5.00 -0.00 0.00 1.24 0.00 0.00 39.78 36.47 1klv n ASN 81 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1klv n ASN 82 N -3.13 -5.14 -4.36 1.20 4.13 -1.26 -4.96 115.26 101.74 1klv n ASN 82 Ca -0.26 -0.02 -0.18 0.00 1.68 0.00 0.00 54.58 55.80 1klv n ASN 82 Cb 0.66 -4.28 -0.10 0.00 -1.54 0.00 0.00 39.78 34.52 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 -2.92 1.02 -0.46 2.41 1.01 -0.76 -5.10 120.40 115.61 1klv s VAL 83 Ca 0.08 -2.02 0.07 0.00 0.00 0.00 0.00 61.98 60.10 1klv s VAL 83 Cb -0.04 -2.50 0.26 0.00 0.00 0.00 0.00 36.38 34.10 1klv s VAL 83 CO 0.09 -0.19 0.85 -0.38 0.00 0.00 0.00 175.10 175.47 1klv n ILE 84 N -0.50 -0.15 -1.43 2.22 -0.00 -1.26 -1.69 119.36 116.55 1klv n ILE 84 Ca -0.04 -2.16 -0.29 0.00 -0.00 0.00 0.00 62.75 60.27 1klv n ILE 84 Cb 0.65 0.72 0.15 0.00 -0.00 0.00 0.00 39.64 41.16 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 0.09 0.88 1.08 0.38 0.04 -1.26 -5.05 135.00 131.16 1klv s PRO 85 Ca 0.31 0.33 -0.18 0.00 0.04 0.00 0.00 61.00 61.50 1klv s PRO 85 Cb 0.23 -1.81 0.27 0.00 0.04 0.00 0.00 34.50 33.23 1klv s PRO 85 CO -0.18 -2.38 1.05 -0.35 0.04 0.00 0.00 177.00 175.18 1klv n PRO 86 N -3.90 -2.60 -0.40 0.56 -0.04 -1.26 -4.91 135.00 122.46 1klv n PRO 86 Ca 0.06 -1.67 -0.04 0.00 -0.04 0.00 0.00 63.50 61.82 1klv n PRO 86 Cb 0.59 -1.45 0.10 0.00 -0.04 0.00 0.00 33.50 32.70 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 -4.46 1.45 -1.32 0.52 -2.24 -1.26 -4.31 114.28 102.66 1klv n THR 87 Ca 0.14 -0.62 -0.31 0.00 -2.27 0.00 0.00 64.05 60.99 1klv n THR 87 Cb 0.54 -0.63 0.06 0.00 -2.10 0.00 0.00 70.33 68.20 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 0.05 7.36 -2.19 3.42 2.88 -1.26 -4.41 113.62 119.46 1klv n SER 88 Ca 0.17 -3.61 -0.09 0.00 -1.33 0.00 0.00 58.87 54.01 1klv n SER 88 Cb 0.78 -1.02 -0.03 0.00 -0.75 0.00 0.00 64.21 63.19 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 -0.50 0.03 -2.89 -1.46 0.00 -1.26 -5.05 120.51 109.39 1klv n ALA 89 Ca 0.54 -1.00 -0.13 0.00 0.00 0.00 0.00 53.44 52.85 1klv n ALA 89 Cb 0.58 0.81 -0.14 0.00 0.00 0.00 0.00 19.45 20.69 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 -2.69 0.06 0.35 0.00 -4.23 -1.26 -2.15 115.64 105.70 1klv s THR 90 Ca 0.19 -0.02 0.12 0.00 -1.18 0.00 0.00 61.69 60.80 1klv s THR 90 Cb 0.00 -0.06 0.34 0.00 1.34 0.00 0.00 72.50 74.12 1klv s THR 90 CO 0.13 0.02 1.76 0.24 -0.54 0.00 0.00 174.62 176.23 1klv h MET 91 N 6.17 0.53 -0.45 3.99 2.86 -1.24 0.17 114.93 126.96 1klv h MET 91 Ca -0.25 -0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.44 1klv h MET 91 Cb 1.20 -0.12 -0.08 0.00 0.06 0.00 0.00 31.60 32.67 1klv h MET 91 CO 0.51 0.35 -0.02 0.78 1.06 0.00 0.00 176.91 179.59 1klv h GLY 92 N 0.55 0.43 2.00 8.32 0.00 -1.28 0.17 103.07 113.25 1klv h GLY 92 Ca 0.61 0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.97 1klv h GLY 92 CO -0.39 -0.13 -0.22 0.06 0.00 0.00 0.00 176.54 175.86 1klv h GLN 93 N 0.08 0.00 0.00 4.80 3.07 -1.14 -1.62 115.11 120.30 1klv h GLN 93 Ca 0.22 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.92 1klv h GLN 93 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.88 1klv h GLN 93 CO -0.39 0.22 -0.20 1.37 0.09 0.00 0.00 178.83 179.91 1klv h LEU 94 N 0.00 0.00 -0.22 0.06 8.10 -0.33 -3.17 115.31 119.76 1klv h LEU 94 Ca -0.00 0.00 0.05 0.00 0.11 0.00 0.00 57.88 58.04 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 0.03 0.20 -0.38 0.22 -4.11 0.00 0.00 178.44 174.40 1klv h TYR 95 N 0.00 -1.09 0.00 0.17 3.20 -0.45 0.30 116.97 119.09 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 0.57 0.51 0.00 0.00 1.54 0.00 0.00 36.73 39.35 1klv h TYR 95 CO 0.00 -0.44 0.00 0.37 -1.64 0.00 0.00 178.16 176.45 1klv h GLN 96 N -0.41 0.00 0.00 1.82 4.15 -1.72 -3.13 115.11 115.83 1klv h GLN 96 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1klv h GLN 96 Cb 0.59 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1klv h GLN 96 CO -0.44 0.00 -0.07 0.93 -1.93 0.00 0.00 178.83 177.33 1klv h GLU 97 N 0.00 0.00 -1.07 1.69 5.08 -0.57 -3.42 114.58 116.30 1klv h GLU 97 Ca 0.00 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.67 1klv h GLU 97 Cb 0.42 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.38 1klv h GLU 97 CO 0.00 0.00 0.88 0.72 -1.00 0.00 0.00 179.01 179.61 1klv n HIS 98 N -2.60 3.22 0.24 4.33 8.25 0.34 -4.49 115.22 124.50 1klv n HIS 98 Ca -0.01 -2.98 0.13 0.00 -0.26 0.00 0.00 57.72 54.60 1klv n HIS 98 Cb 0.03 -1.43 0.32 0.00 1.12 0.00 0.00 29.99 30.03 1klv n HIS 98 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 1klv h HIS 99 N 2.07 0.00 0.00 4.41 2.07 -1.67 -2.84 115.15 119.19 1klv h HIS 99 Ca 0.61 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.13 1klv h HIS 99 Cb 0.76 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.74 1klv h HIS 99 CO 1.42 0.01 0.00 -1.91 -3.07 0.00 0.00 177.93 174.37 1klv n GLU 100 N -3.10 0.00 0.00 5.12 0.00 -1.26 -4.34 120.64 117.06 1klv n GLU 100 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.19 1klv n GLU 100 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.91 1klv n GLU 100 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1klv n GLU 101 N 0.00 0.00 -2.68 5.31 1.02 -1.26 -5.06 120.64 117.97 1klv n GLU 101 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1klv n GLU 101 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.47 1klv n GLU 101 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1klv n ASP 102 N 0.00 -1.48 0.03 1.62 -0.08 -1.26 -5.05 116.55 110.34 1klv n ASP 102 Ca 0.00 -2.04 0.00 0.00 -1.51 0.00 0.00 54.79 51.24 1klv n ASP 102 Cb 0.00 1.05 0.00 0.00 2.34 0.00 0.00 41.12 44.51 1klv n ASP 102 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1klv n PHE 103 N -0.45 -1.85 -4.66 -0.67 3.72 -1.26 -5.02 117.46 107.26 1klv n PHE 103 Ca -0.16 0.18 -0.29 0.00 -0.05 0.00 0.00 57.45 57.13 1klv n PHE 103 Cb 0.73 0.84 -0.10 0.00 -0.94 0.00 0.00 39.48 40.01 1klv n PHE 103 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1klv s PHE 104 N -1.15 2.33 0.34 1.38 0.40 -1.26 -4.88 117.98 115.14 1klv s PHE 104 Ca 0.00 -0.75 0.08 0.00 -0.60 0.00 0.00 56.93 55.65 1klv s PHE 104 Cb 0.00 -1.73 -0.03 0.00 0.51 0.00 0.00 43.02 41.76 1klv s PHE 104 CO 0.00 0.39 0.22 -0.48 0.70 0.00 0.00 175.22 176.04 1klv s LEU 105 N -3.76 3.41 -0.10 -0.37 0.05 -1.09 -4.54 118.68 112.29 1klv s LEU 105 Ca 0.26 -0.66 0.03 0.00 0.05 0.00 0.00 54.13 53.82 1klv s LEU 105 Cb 0.08 -1.95 0.00 0.00 -2.05 0.00 0.00 46.19 42.27 1klv s LEU 105 CO 0.14 -0.34 -0.21 -0.31 -0.55 0.00 0.00 176.35 175.07 1klv s TYR 106 N -2.38 2.31 0.03 3.48 2.02 -1.07 -0.46 117.35 121.27 1klv s TYR 106 Ca 0.40 -0.96 -0.02 0.00 -0.37 0.00 0.00 57.07 56.12 1klv s TYR 106 Cb -0.04 -1.57 -0.02 0.00 -0.40 0.00 0.00 41.96 39.93 1klv s TYR 106 CO 0.25 -0.40 0.02 0.42 -1.57 0.00 0.00 175.55 174.26 1klv s ILE 107 N 0.47 0.14 0.35 2.71 1.01 -0.74 -4.08 121.20 121.05 1klv s ILE 107 Ca -0.17 -1.13 -0.05 0.00 0.00 0.00 0.00 60.65 59.30 1klv s ILE 107 Cb -0.17 -0.71 0.01 0.00 0.01 0.00 0.00 42.46 41.60 1klv s ILE 107 CO 0.07 -0.62 0.54 0.00 0.00 0.00 0.00 174.94 174.92 1klv s ALA 108 N -2.27 0.47 0.15 9.38 0.00 -0.90 -1.31 121.76 127.28 1klv s ALA 108 Ca -0.08 -1.36 -0.09 0.00 0.00 0.00 0.00 51.96 50.43 1klv s ALA 108 Cb -0.04 1.06 -0.01 0.00 0.00 0.00 0.00 23.12 24.14 1klv s ALA 108 CO -0.04 -0.83 0.26 1.52 0.00 0.00 0.00 175.76 176.68 1klv s TYR 109 N -2.92 0.39 0.27 0.00 1.13 -0.92 -1.21 117.35 114.09 1klv s TYR 109 Ca 0.27 -0.76 -0.19 0.00 -1.41 0.00 0.00 57.07 54.99 1klv s TYR 109 Cb -0.01 -0.08 0.01 0.00 -1.10 0.00 0.00 41.96 40.78 1klv s TYR 109 CO 0.18 -0.69 0.65 0.45 -2.51 0.00 0.00 175.55 173.64 1klv s SER 110 N -2.96 -0.21 -0.12 -0.18 0.15 -0.22 -2.24 113.70 107.93 1klv s SER 110 Ca 0.16 -0.70 0.17 0.00 0.70 0.00 0.00 55.95 56.28 1klv s SER 110 Cb 0.04 0.69 0.26 0.00 -1.71 0.00 0.00 66.02 65.30 1klv s SER 110 CO -0.01 -1.29 1.13 -0.90 1.20 0.00 0.00 173.24 173.37 1klv n ASP 111 N -0.44 2.21 -4.34 5.45 5.68 -1.25 0.97 116.55 124.84 1klv n ASP 111 Ca -0.03 -2.98 -0.39 0.00 -0.50 0.00 0.00 54.79 50.89 1klv n ASP 111 Cb 0.60 -0.40 0.02 0.00 -1.14 0.00 0.00 41.12 40.20 1klv n ASP 111 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1klv n GLU 112 N -1.32 0.19 -2.07 0.11 0.00 -1.26 -4.53 120.64 111.77 1klv n GLU 112 Ca 0.14 0.07 -0.01 0.00 0.00 0.00 0.00 57.16 57.37 1klv n GLU 112 Cb 0.62 -1.24 0.05 0.00 0.00 0.00 0.00 31.44 30.87 1klv n GLU 112 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1klv n SER 113 N 1.81 1.78 -4.79 -1.84 7.64 -1.26 -4.74 113.62 112.21 1klv n SER 113 Ca 0.10 -2.39 -0.31 0.00 1.01 0.00 0.00 58.87 57.28 1klv n SER 113 Cb 0.46 -0.41 0.08 0.00 -1.01 0.00 0.00 64.21 63.33 1klv n SER 113 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1klv s VAL 114 N -2.53 3.50 0.97 0.44 0.11 -1.26 -5.04 120.40 116.60 1klv s VAL 114 Ca 0.33 0.49 -0.15 0.00 -2.93 0.00 0.00 61.98 59.72 1klv s VAL 114 Cb 0.36 -3.13 0.19 0.00 -1.53 0.00 0.00 36.38 32.27 1klv s VAL 114 CO -0.08 -0.64 1.24 -0.47 -3.33 0.00 0.00 175.10 171.83 1klv s TYR 115 N -3.01 1.75 0.00 1.54 5.04 -1.26 -4.86 117.35 116.55 1klv s TYR 115 Ca 0.60 0.49 0.00 0.00 -2.44 0.00 0.00 57.07 55.72 1klv s TYR 115 Cb -0.15 -3.82 0.00 0.00 0.35 0.00 0.00 41.96 38.34 1klv s TYR 115 CO 0.55 -2.68 0.00 0.41 -1.34 0.00 0.00 175.55 172.50 1klv n GLY 116 N -3.03 0.65 0.00 8.97 0.00 -1.26 -5.29 105.19 105.23 1klv n GLY 116 Ca 0.13 -0.83 0.08 0.00 0.00 0.00 0.00 46.02 45.40 1klv n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36