#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 0.05 1.61 3.07 -2.01 0.43 114.58 117.73 1klv h GLU 19 Ca 0.00 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.60 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 -1.03 -0.22 -1.40 0.00 0.00 179.01 176.36 1klv h LYS 20 N 0.00 0.61 0.00 2.33 1.63 -2.02 -2.99 116.57 116.13 1klv h LYS 20 Ca 0.52 -0.72 0.00 0.00 -0.85 0.00 0.00 60.65 59.60 1klv h LYS 20 Cb 2.36 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 34.21 1klv h LYS 20 CO -0.01 1.31 0.00 -0.89 -3.45 0.00 0.00 179.45 176.41 1klv n ILE 21 N -3.91 0.99 -0.09 2.00 2.08 0.15 -2.77 119.36 117.80 1klv n ILE 21 Ca -0.12 0.52 -0.18 0.00 0.56 0.00 0.00 62.75 63.53 1klv n ILE 21 Cb 0.88 -1.49 -0.10 0.00 -0.75 0.00 0.00 39.64 38.19 1klv n ILE 21 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 1klv h ARG 22 N 0.00 0.00 -0.90 0.38 -0.00 -1.40 -0.02 114.38 112.43 1klv h ARG 22 Ca 0.00 0.00 0.20 0.00 -0.50 0.00 0.00 59.98 59.68 1klv h ARG 22 Cb 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 29.97 30.01 1klv h ARG 22 CO 0.00 0.80 0.45 0.87 0.00 0.00 0.00 179.97 182.09 1klv h LYS 23 N -1.00 0.51 0.01 0.04 1.57 -1.39 0.73 116.57 117.05 1klv h LYS 23 Ca -0.25 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.36 1klv h LYS 23 Cb 1.11 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1klv h LYS 23 CO -0.15 0.34 -0.75 0.87 -0.57 0.00 0.00 179.45 179.18 1klv h LYS 24 N 0.53 0.02 -2.29 3.15 1.57 -1.67 -3.40 116.57 114.48 1klv h LYS 24 Ca 0.54 -0.04 -0.63 0.00 -1.87 0.00 0.00 60.65 58.66 1klv h LYS 24 Cb 0.93 0.01 -0.40 0.00 0.08 0.00 0.00 32.23 32.85 1klv h LYS 24 CO -0.45 1.02 -0.39 0.66 -0.57 0.00 0.00 179.45 179.72 1klv n TYR 25 N -4.46 3.67 0.76 -1.35 4.01 -0.02 -4.81 117.16 114.95 1klv n TYR 25 Ca -0.22 -3.85 0.09 0.00 -0.16 0.00 0.00 57.90 53.76 1klv n TYR 25 Cb 0.62 -0.63 0.44 0.00 -0.31 0.00 0.00 39.34 39.45 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 0.33 0.11 -0.07 -0.72 -0.04 0.25 -2.53 135.00 132.33 1klv n PRO 26 Ca 0.31 0.15 0.09 0.00 -0.04 0.00 0.00 63.50 64.02 1klv n PRO 26 Cb 0.38 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.41 2.31 -3.22 3.54 2.03 -1.26 -5.04 116.55 113.49 1klv n ASP 27 Ca 0.06 -3.02 -0.09 0.00 0.52 0.00 0.00 54.79 52.26 1klv n ASP 27 Cb 0.19 -0.40 0.02 0.00 -0.72 0.00 0.00 41.12 40.21 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 -1.38 0.92 -3.42 -0.67 3.00 -1.05 -2.53 116.66 111.54 1klv n ARG 28 Ca 0.15 -1.35 -0.16 0.00 -0.01 0.00 0.00 57.85 56.48 1klv n ARG 28 Cb 0.62 -0.03 -0.10 0.00 0.00 0.00 0.00 32.46 32.95 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 -0.69 -0.42 -1.17 1.55 1.01 0.23 -4.48 120.40 116.44 1klv s VAL 29 Ca 0.22 -0.29 -0.21 0.00 0.00 0.00 0.00 61.98 61.71 1klv s VAL 29 Cb -0.02 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.52 1klv s VAL 29 CO 0.14 -0.32 1.75 -2.16 0.00 0.00 0.00 175.10 174.51 1klv s PRO 30 N 2.39 3.38 0.49 2.72 0.04 -1.26 -2.62 135.00 140.13 1klv s PRO 30 Ca 0.09 -1.41 -0.16 0.00 0.04 0.00 0.00 61.00 59.57 1klv s PRO 30 Cb -0.15 -5.37 -0.08 0.00 0.04 0.00 0.00 34.50 28.94 1klv s PRO 30 CO -0.23 -2.79 0.94 0.14 0.04 0.00 0.00 177.00 175.10 1klv s VAL 31 N 6.70 4.58 0.29 -0.36 -7.23 -0.70 -2.63 120.40 121.06 1klv s VAL 31 Ca 0.58 1.11 0.09 0.00 -1.81 0.00 0.00 61.98 61.94 1klv s VAL 31 Cb 0.01 -3.72 -0.04 0.00 0.56 0.00 0.00 36.38 33.19 1klv s VAL 31 CO 0.04 -0.64 0.08 -0.63 -0.31 0.00 0.00 175.10 173.65 1klv s ILE 32 N -2.55 3.44 0.02 -0.62 -1.09 0.89 -2.51 121.20 118.78 1klv s ILE 32 Ca 0.57 -1.75 0.02 0.00 -2.23 0.00 0.00 60.65 57.27 1klv s ILE 32 Cb -0.10 -2.98 -0.01 0.00 -1.58 0.00 0.00 42.46 37.79 1klv s ILE 32 CO 0.30 -0.30 -0.08 -0.69 -1.23 0.00 0.00 174.94 172.95 1klv s VAL 33 N -2.33 0.59 0.36 2.92 1.01 0.19 -1.86 120.40 121.28 1klv s VAL 33 Ca 0.34 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 1klv s VAL 33 Cb -0.05 -0.56 0.04 0.00 0.00 0.00 0.00 36.38 35.80 1klv s VAL 33 CO 0.22 -0.08 0.69 -0.70 0.00 0.00 0.00 175.10 175.22 1klv s GLU 34 N -0.84 2.10 0.24 2.72 2.12 -0.75 -4.77 118.70 119.52 1klv s GLU 34 Ca -0.03 -1.50 0.11 0.00 0.36 0.00 0.00 54.97 53.91 1klv s GLU 34 Cb -0.06 0.57 -0.05 0.00 0.26 0.00 0.00 34.13 34.85 1klv s GLU 34 CO 0.00 -0.95 -0.14 0.21 -0.54 0.00 0.00 175.26 173.84 1klv s LYS 35 N -2.65 1.88 0.51 4.30 2.47 -1.26 -2.19 119.74 122.80 1klv s LYS 35 Ca 0.20 -1.53 -0.09 0.00 -1.56 0.00 0.00 55.97 53.00 1klv s LYS 35 Cb -0.04 -1.97 0.13 0.00 -1.46 0.00 0.00 37.83 34.50 1klv s LYS 35 CO 0.14 0.38 0.37 0.00 0.16 0.00 0.00 175.35 176.39 1klv n ALA 36 N -0.36 -1.66 -2.14 3.13 0.00 -0.85 -4.80 120.51 113.82 1klv n ALA 36 Ca -0.08 -0.60 -0.41 0.00 0.00 0.00 0.00 53.44 52.35 1klv n ALA 36 Cb 0.58 -0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 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 -3.87 3.13 -1.12 0.00 0.04 -1.26 -3.04 135.00 128.88 1klv s PRO 37 Ca 0.26 0.89 -0.07 0.00 0.04 0.00 0.00 61.00 62.12 1klv s PRO 37 Cb -0.04 -4.22 0.01 0.00 0.04 0.00 0.00 34.50 30.29 1klv s PRO 37 CO 0.21 -2.12 0.97 1.63 0.04 0.00 0.00 177.00 177.73 1klv n LYS 38 N 8.68 -6.55 -0.28 4.56 4.76 -1.26 -4.98 118.16 123.10 1klv n LYS 38 Ca 0.19 0.69 -0.18 0.00 -2.87 0.00 0.00 58.31 56.14 1klv n LYS 38 Cb 0.49 -5.31 0.17 0.00 -1.84 0.00 0.00 35.03 28.55 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 -4.51 -3.08 -2.25 7.82 0.00 -1.17 -4.98 120.51 112.34 1klv n ALA 39 Ca -0.01 -0.90 0.01 0.00 0.00 0.00 0.00 53.44 52.54 1klv n ALA 39 Cb 0.56 -0.08 -0.00 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 -3.12 0.00 -1.72 0.00 1.85 -1.26 -5.01 116.66 107.39 1klv n ARG 40 Ca 0.08 -1.43 -0.20 0.00 -1.00 0.00 0.00 57.85 55.30 1klv n ARG 40 Cb 0.35 -0.05 0.13 0.00 -1.05 0.00 0.00 32.46 31.83 1klv n ARG 40 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 1klv n ILE 41 N 0.25 0.00 -0.60 8.89 -0.00 -1.26 -4.95 119.36 121.69 1klv n ILE 41 Ca -0.01 -0.94 -0.28 0.00 -0.00 0.00 0.00 62.75 61.51 1klv n ILE 41 Cb 0.91 -1.36 0.25 0.00 -0.00 0.00 0.00 39.64 39.45 1klv n ILE 41 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 1klv s GLY 42 N -4.86 1.52 0.82 3.28 0.00 0.45 -5.01 107.32 103.52 1klv s GLY 42 Ca 0.54 -0.29 -0.14 0.00 0.00 0.00 0.00 44.72 44.84 1klv s GLY 42 CO 0.37 0.47 0.91 1.34 0.00 0.00 0.00 173.10 176.19 1klv n ASP 43 N -4.96 -0.83 -3.83 1.64 2.03 -1.26 -4.77 116.55 104.57 1klv n ASP 43 Ca 0.04 -1.19 -0.15 0.00 0.52 0.00 0.00 54.79 54.01 1klv n ASP 43 Cb 0.55 -0.75 -0.15 0.00 -0.72 0.00 0.00 41.12 40.05 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 1.43 0.23 -2.67 2.01 -1.26 -4.49 118.68 113.92 1klv s LEU 44 Ca 0.55 -0.01 0.20 0.00 0.01 0.00 0.00 54.13 54.88 1klv s LEU 44 Cb -0.03 -0.14 0.05 0.00 0.01 0.00 0.00 46.19 46.07 1klv s LEU 44 CO 0.40 -0.07 1.16 -0.78 1.01 0.00 0.00 176.35 178.07 1klv h ASP 45 N 6.88 0.00 -4.73 2.29 3.58 -1.98 -3.46 116.42 118.99 1klv h ASP 45 Ca -0.38 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 56.96 1klv h ASP 45 Cb 1.15 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 42.00 1klv h ASP 45 CO 0.49 0.19 -0.19 -1.59 -2.88 0.00 0.00 179.24 175.26 1klv s LYS 46 N -3.19 0.69 -0.40 0.28 0.00 -1.26 -5.07 119.74 110.79 1klv s LYS 46 Ca 0.01 0.06 0.08 0.00 0.00 0.00 0.00 55.97 56.12 1klv s LYS 46 Cb 0.08 0.31 0.43 0.00 0.00 0.00 0.00 37.83 38.66 1klv s LYS 46 CO 0.77 -0.18 1.09 0.36 0.00 0.00 0.00 175.35 177.39 1klv n LYS 47 N 1.58 3.05 -3.19 1.78 0.00 -1.26 -4.97 118.16 115.15 1klv n LYS 47 Ca -0.19 -4.26 0.01 0.00 -0.00 0.00 0.00 58.31 53.87 1klv n LYS 47 Cb 0.56 -2.08 -0.02 0.00 -0.00 0.00 0.00 35.03 33.49 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 -3.48 0.52 -0.03 -1.58 -2.85 -1.26 -0.64 119.74 110.42 1klv s LYS 48 Ca 0.44 0.86 -0.02 0.00 -1.00 0.00 0.00 55.97 56.26 1klv s LYS 48 Cb 0.41 0.32 -0.04 0.00 -2.06 0.00 0.00 37.83 36.46 1klv s LYS 48 CO -0.13 -0.67 0.09 0.71 0.10 0.00 0.00 175.35 175.45 1klv s TYR 49 N 2.79 3.33 -0.36 1.78 1.51 -1.05 -4.97 117.35 120.38 1klv s TYR 49 Ca 0.18 0.25 -0.01 0.00 -1.01 0.00 0.00 57.07 56.48 1klv s TYR 49 Cb -0.15 -1.78 0.09 0.00 -0.11 0.00 0.00 41.96 40.02 1klv s TYR 49 CO -0.21 0.57 0.10 -1.17 -1.11 0.00 0.00 175.55 173.74 1klv s LEU 50 N -1.56 4.68 0.17 -1.29 2.96 -1.26 -1.72 118.68 120.66 1klv s LEU 50 Ca 0.21 -1.77 0.06 0.00 -0.22 0.00 0.00 54.13 52.41 1klv s LEU 50 Cb -0.12 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 1klv s LEU 50 CO 0.12 -0.41 -0.13 0.68 -1.32 0.00 0.00 176.35 175.29 1klv s VAL 51 N 1.14 1.48 0.49 1.68 -7.23 -1.08 -4.89 120.40 111.99 1klv s VAL 51 Ca 0.04 -2.10 -0.21 0.00 -1.81 0.00 0.00 61.98 57.89 1klv s VAL 51 Cb -0.21 -1.91 -0.07 0.00 0.56 0.00 0.00 36.38 34.75 1klv s VAL 51 CO -0.04 -0.63 1.13 -2.16 -0.31 0.00 0.00 175.10 173.09 1klv s PRO 52 N -3.57 3.63 0.45 4.82 0.04 -1.26 0.78 135.00 139.89 1klv s PRO 52 Ca 0.19 1.65 0.31 0.00 0.04 0.00 0.00 61.00 63.18 1klv s PRO 52 Cb 0.00 -2.22 1.56 0.00 0.04 0.00 0.00 34.50 33.88 1klv s PRO 52 CO 0.04 -0.63 1.94 1.03 0.04 0.00 0.00 177.00 179.42 1klv h SER 53 N 1.69 0.00 0.80 6.66 0.87 -1.72 -1.82 113.55 120.03 1klv h SER 53 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1klv h SER 53 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1klv h SER 53 CO 0.59 0.00 -0.17 -0.67 -0.53 0.00 0.00 176.83 176.05 1klv n ASP 54 N -2.62 0.19 -4.77 6.23 -0.08 -1.26 -0.11 116.55 114.12 1klv n ASP 54 Ca -0.01 0.19 -0.40 0.00 -1.51 0.00 0.00 54.79 53.05 1klv n ASP 54 Cb 0.11 -0.23 0.00 0.00 2.34 0.00 0.00 41.12 43.35 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 -2.97 4.24 0.35 -2.67 1.43 -0.68 -4.83 118.68 113.55 1klv s LEU 55 Ca 0.14 2.90 -0.04 0.00 -1.03 0.00 0.00 54.13 56.10 1klv s LEU 55 Cb 0.19 -3.80 -0.05 0.00 0.03 0.00 0.00 46.19 42.56 1klv s LEU 55 CO 0.58 -0.94 0.61 0.42 0.23 0.00 0.00 176.35 177.26 1klv s THR 56 N -1.17 5.00 0.61 5.49 -4.23 -1.26 -0.76 115.64 119.31 1klv s THR 56 Ca 0.56 0.03 0.29 0.00 -1.18 0.00 0.00 61.69 61.39 1klv s THR 56 Cb -0.43 -3.78 0.36 0.00 1.34 0.00 0.00 72.50 69.98 1klv s THR 56 CO 0.57 -0.48 1.97 0.58 -0.54 0.00 0.00 174.62 176.73 1klv h VAL 57 N 1.01 0.32 -0.27 2.29 2.07 -1.57 0.50 116.25 120.60 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 1.20 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1klv h VAL 57 CO 0.64 0.00 -0.50 1.23 0.02 0.00 0.00 177.57 178.96 1klv h GLY 58 N 0.00 0.83 0.61 2.17 0.00 -1.86 -1.74 103.07 103.09 1klv h GLY 58 Ca 0.13 -0.93 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 1klv h GLY 58 CO -0.00 0.84 -0.02 1.46 0.00 0.00 0.00 176.54 178.82 1klv h GLN 59 N 0.59 0.07 -0.26 4.80 1.08 -1.27 -3.08 115.11 117.05 1klv h GLN 59 Ca 0.02 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1klv h GLN 59 Cb 1.08 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.50 1klv h GLN 59 CO 0.11 0.48 0.16 0.35 -0.95 0.00 0.00 178.83 178.98 1klv h PHE 60 N -0.34 0.33 -0.16 2.96 3.57 -1.54 -0.36 116.94 121.40 1klv h PHE 60 Ca 0.01 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.56 1klv h PHE 60 Cb 0.46 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1klv h PHE 60 CO 0.07 0.23 0.49 -0.92 -2.23 0.00 0.00 178.31 175.96 1klv h TYR 61 N 0.33 0.00 0.03 0.41 5.03 -1.32 -0.46 116.97 120.99 1klv h TYR 61 Ca 0.09 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.40 1klv h TYR 61 Cb -0.01 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.27 1klv h TYR 61 CO -0.05 0.00 -0.01 0.35 -1.32 0.00 0.00 178.16 177.12 1klv h PHE 62 N 0.00 -0.03 0.00 -3.82 3.04 -0.97 -2.48 116.94 112.67 1klv h PHE 62 Ca 0.08 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.03 1klv h PHE 62 Cb 1.06 0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.59 1klv h PHE 62 CO 0.00 0.52 0.00 1.37 -2.02 0.00 0.00 178.31 178.18 1klv h LEU 63 N -0.97 0.00 0.09 0.59 8.10 -0.86 -2.65 115.31 119.60 1klv h LEU 63 Ca -0.00 0.00 -0.36 0.00 0.11 0.00 0.00 57.88 57.63 1klv h LEU 63 Cb 0.57 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.76 1klv h LEU 63 CO 0.01 0.00 -2.03 -0.38 -4.11 0.00 0.00 178.44 171.93 1klv n ILE 64 N -2.83 1.70 -0.32 0.15 5.41 -0.91 -3.78 119.36 118.78 1klv n ILE 64 Ca -0.02 -0.57 -0.08 0.00 1.00 0.00 0.00 62.75 63.08 1klv n ILE 64 Cb 0.08 -1.72 -0.08 0.00 -0.71 0.00 0.00 39.64 37.21 1klv n ILE 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1klv n ARG 65 N -3.57 -0.33 0.08 0.38 0.63 -0.93 0.15 116.66 113.06 1klv n ARG 65 Ca -0.35 1.25 0.01 0.00 -0.92 0.00 0.00 57.85 57.84 1klv n ARG 65 Cb 0.99 -1.84 0.33 0.00 0.45 0.00 0.00 32.46 32.39 1klv n ARG 65 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1klv h LYS 66 N 0.00 0.32 0.00 -0.14 6.56 -1.77 -1.25 116.57 120.30 1klv h LYS 66 Ca 0.12 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 1klv h LYS 66 Cb 0.31 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 1klv h LYS 66 CO -0.71 0.48 0.00 0.54 -2.06 0.00 0.00 179.45 177.69 1klv n ARG 67 N -4.23 0.09 -0.16 3.15 5.12 0.39 -1.67 116.66 119.35 1klv n ARG 67 Ca -0.00 0.33 0.12 0.00 -1.93 0.00 0.00 57.85 56.37 1klv n ARG 67 Cb 0.30 -1.67 0.22 0.00 -1.16 0.00 0.00 32.46 30.15 1klv n ARG 67 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1klv n ILE 68 N -1.84 0.43 -2.35 0.55 -0.00 0.17 -4.52 119.36 111.80 1klv n ILE 68 Ca 0.03 -0.69 -0.16 0.00 -0.00 0.00 0.00 62.75 61.93 1klv n ILE 68 Cb 0.20 0.99 -0.01 0.00 -0.00 0.00 0.00 39.64 40.82 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 1.40 -1.15 -3.95 1.39 -0.00 -0.67 -0.41 115.22 111.83 1klv n HIS 69 Ca 0.19 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 58.08 1klv n HIS 69 Cb 0.59 -3.29 -0.04 0.00 -0.12 0.00 0.00 29.99 27.13 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 -5.69 4.25 0.00 0.27 0.05 -1.22 -4.59 118.68 111.76 1klv s LEU 70 Ca 0.00 0.18 0.00 0.00 0.05 0.00 0.00 54.13 54.36 1klv s LEU 70 Cb 0.00 -2.85 0.00 0.00 -2.05 0.00 0.00 46.19 41.29 1klv s LEU 70 CO 0.00 0.13 0.00 -2.11 -0.55 0.00 0.00 176.35 173.82 1klv n ARG 71 N 0.01 0.00 0.00 1.48 -4.01 -1.26 -4.71 116.66 108.17 1klv n ARG 71 Ca -0.06 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.75 1klv n ARG 71 Cb 0.52 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.94 1klv n ARG 71 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1klv n ALA 72 N -3.00 0.00 -2.48 2.89 0.00 -1.26 -1.52 120.51 115.13 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 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 0.93 -0.53 0.00 1.02 -1.26 -5.13 120.64 115.66 1klv n GLU 73 Ca 0.00 -1.47 -0.30 0.00 -0.02 0.00 0.00 57.16 55.37 1klv n GLU 73 Cb 0.00 0.18 0.27 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 -1.46 -0.32 0.05 1.62 -1.08 -0.58 -5.03 116.67 109.87 1klv s ASP 74 Ca 0.10 0.95 0.09 0.00 -0.52 0.00 0.00 52.55 53.17 1klv s ASP 74 Cb 0.30 -1.38 -0.03 0.00 -1.46 0.00 0.00 42.92 40.35 1klv s ASP 74 CO -0.08 -4.92 -0.24 0.00 0.52 0.00 0.00 175.17 170.44 1klv s ALA 75 N -2.44 2.36 0.03 3.66 0.00 -1.26 -4.98 121.76 119.12 1klv s ALA 75 Ca 0.69 -1.27 -0.27 0.00 0.00 0.00 0.00 51.96 51.11 1klv s ALA 75 Cb -0.15 -0.54 0.06 0.00 0.00 0.00 0.00 23.12 22.50 1klv s ALA 75 CO 0.59 0.54 0.61 -1.17 0.00 0.00 0.00 175.76 176.34 1klv s LEU 76 N -1.37 -0.46 -0.22 0.00 2.96 -1.26 -4.45 118.68 113.89 1klv s LEU 76 Ca 0.13 0.40 -0.09 0.00 -0.22 0.00 0.00 54.13 54.35 1klv s LEU 76 Cb -0.10 2.42 0.09 0.00 0.50 0.00 0.00 46.19 49.10 1klv s LEU 76 CO 0.03 -0.72 0.49 -0.36 -1.32 0.00 0.00 176.35 174.47 1klv s PHE 77 N -2.12 -0.91 -0.02 5.38 0.08 -0.77 -4.98 117.98 114.65 1klv s PHE 77 Ca -0.07 1.71 -0.26 0.00 0.12 0.00 0.00 56.93 58.44 1klv s PHE 77 Cb -0.01 0.44 -0.04 0.00 -0.57 0.00 0.00 43.02 42.84 1klv s PHE 77 CO 0.01 -0.51 0.80 -0.06 -0.10 0.00 0.00 175.22 175.37 1klv s PHE 78 N 2.41 3.64 -0.19 0.36 0.08 -1.26 -2.61 117.98 120.42 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 -2.90 0.02 0.00 -0.57 0.00 0.00 43.02 39.46 1klv s PHE 78 CO -0.15 0.11 -0.19 -0.06 -0.10 0.00 0.00 175.22 174.83 1klv s PHE 79 N 0.64 2.81 -0.12 0.36 0.08 -0.36 -4.69 117.98 116.70 1klv s PHE 79 Ca 0.42 -1.70 0.03 0.00 0.12 0.00 0.00 56.93 55.79 1klv s PHE 79 Cb -0.19 -1.91 0.01 0.00 -0.57 0.00 0.00 43.02 40.35 1klv s PHE 79 CO 0.22 -0.81 -0.20 0.08 -0.10 0.00 0.00 175.22 174.41 1klv s VAL 80 N 1.28 1.89 -1.43 -0.44 1.01 -0.71 -2.64 120.40 119.35 1klv s VAL 80 Ca 0.04 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 1klv s VAL 80 Cb -0.14 -1.67 0.03 0.00 0.00 0.00 0.00 36.38 34.60 1klv s VAL 80 CO -0.12 0.52 0.55 -3.20 0.00 0.00 0.00 175.10 172.85 1klv n ASN 81 N 3.99 -5.07 -2.08 3.32 4.05 -1.26 -0.63 115.26 117.58 1klv n ASN 81 Ca -0.20 -0.33 -0.17 0.00 0.45 0.00 0.00 54.58 54.34 1klv n ASN 81 Cb 0.52 -4.13 0.01 0.00 1.23 0.00 0.00 39.78 37.41 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 -2.42 -4.95 -4.29 1.20 5.15 -1.26 -5.00 115.26 103.70 1klv n ASN 82 Ca -0.07 -0.10 -0.15 0.00 -0.60 0.00 0.00 54.58 53.65 1klv n ASN 82 Cb 0.59 -3.95 -0.10 0.00 -0.53 0.00 0.00 39.78 35.78 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 -2.90 0.53 -0.47 3.44 1.01 0.20 -5.11 120.40 117.10 1klv s VAL 83 Ca 0.10 -1.99 0.06 0.00 0.00 0.00 0.00 61.98 60.15 1klv s VAL 83 Cb -0.04 -2.49 0.22 0.00 0.00 0.00 0.00 36.38 34.07 1klv s VAL 83 CO 0.12 -0.12 0.74 -0.38 0.00 0.00 0.00 175.10 175.46 1klv n ILE 84 N -0.39 -0.23 -1.43 2.22 -0.00 -1.26 -1.74 119.36 116.53 1klv n ILE 84 Ca -0.01 -1.97 -0.30 0.00 -0.00 0.00 0.00 62.75 60.47 1klv n ILE 84 Cb 0.65 0.51 0.11 0.00 -0.00 0.00 0.00 39.64 40.91 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 0.37 1.75 1.16 0.38 0.04 -1.26 -5.05 135.00 132.39 1klv s PRO 85 Ca 0.32 0.68 -0.19 0.00 0.04 0.00 0.00 61.00 61.85 1klv s PRO 85 Cb 0.14 -1.88 0.27 0.00 0.04 0.00 0.00 34.50 33.08 1klv s PRO 85 CO -0.17 -1.86 1.17 -1.25 0.04 0.00 0.00 177.00 174.93 1klv s PRO 86 N -5.09 -0.87 -0.12 0.56 0.04 -1.26 -4.92 135.00 123.35 1klv s PRO 86 Ca 0.62 -0.22 0.05 0.00 0.04 0.00 0.00 61.00 61.48 1klv s PRO 86 Cb -0.16 -1.65 0.33 0.00 0.04 0.00 0.00 34.50 33.06 1klv s PRO 86 CO 0.55 -3.45 1.09 0.25 0.04 0.00 0.00 177.00 175.48 1klv n THR 87 N -4.54 1.29 -0.73 1.26 -2.24 -1.26 -4.29 114.28 103.77 1klv n THR 87 Ca 0.15 -0.62 -0.17 0.00 -2.27 0.00 0.00 64.05 61.14 1klv n THR 87 Cb 0.60 -0.48 0.06 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 5.75 -1.40 3.42 3.41 -1.26 -4.35 113.62 119.37 1klv n SER 88 Ca 0.14 -3.06 -0.03 0.00 -0.26 0.00 0.00 58.87 55.66 1klv n SER 88 Cb 0.71 -0.95 -0.00 0.00 -0.26 0.00 0.00 64.21 63.70 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 0.07 -0.11 -2.93 7.33 0.00 -1.26 -5.06 120.51 118.55 1klv n ALA 89 Ca 0.33 -0.32 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1klv n ALA 89 Cb 0.73 0.26 -0.11 0.00 0.00 0.00 0.00 19.45 20.32 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 -2.55 0.24 0.23 0.00 -4.23 -1.26 -1.88 115.64 106.20 1klv s THR 90 Ca 0.06 -0.97 -0.09 0.00 -1.18 0.00 0.00 61.69 59.51 1klv s THR 90 Cb -0.00 -0.38 0.25 0.00 1.34 0.00 0.00 72.50 73.71 1klv s THR 90 CO 0.04 -0.47 1.65 0.24 -0.54 0.00 0.00 174.62 175.53 1klv h MET 91 N 4.59 0.10 -0.95 3.99 2.86 -1.08 0.67 114.93 125.11 1klv h MET 91 Ca -0.33 -0.01 0.30 0.00 -2.06 0.00 0.00 59.70 57.60 1klv h MET 91 Cb 1.21 -0.02 -0.16 0.00 0.06 0.00 0.00 31.60 32.68 1klv h MET 91 CO 0.41 0.07 0.28 0.78 1.06 0.00 0.00 176.91 179.51 1klv h GLY 92 N 0.11 1.61 0.98 8.32 0.00 -0.70 0.78 103.07 114.17 1klv h GLY 92 Ca 0.38 -0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.58 1klv h GLY 92 CO -0.61 -0.52 -0.13 1.46 0.00 0.00 0.00 176.54 176.73 1klv h GLN 93 N 0.12 0.77 -0.04 4.80 4.20 -1.02 -2.51 115.11 121.43 1klv h GLN 93 Ca 0.65 -0.31 0.01 0.00 0.06 0.00 0.00 58.65 59.06 1klv h GLN 93 Cb 1.46 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.21 1klv h GLN 93 CO -0.75 0.93 0.07 1.37 -0.67 0.00 0.00 178.83 179.77 1klv h LEU 94 N 0.57 0.00 -0.41 1.46 8.10 0.77 -2.75 115.31 123.06 1klv h LEU 94 Ca 0.09 0.00 0.08 0.00 0.11 0.00 0.00 57.88 58.16 1klv h LEU 94 Cb 0.66 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 40.79 1klv h LEU 94 CO 0.05 0.00 -0.31 0.22 -4.11 0.00 0.00 178.44 174.29 1klv h TYR 95 N 0.00 -0.85 0.00 0.17 3.20 -0.75 0.29 116.97 119.03 1klv h TYR 95 Ca 0.02 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 1klv h TYR 95 Cb 0.15 0.43 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 1klv h TYR 95 CO 0.00 -0.37 -0.13 1.96 -1.64 0.00 0.00 178.16 177.98 1klv h GLN 96 N -0.23 0.00 0.00 1.82 4.20 -1.67 -2.56 115.11 116.67 1klv h GLN 96 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1klv h GLN 96 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1klv h GLN 96 CO -0.54 0.13 -0.05 0.93 -0.67 0.00 0.00 178.83 178.63 1klv h GLU 97 N 0.00 0.00 -1.26 1.46 4.39 -0.60 -3.37 114.58 115.20 1klv h GLU 97 Ca -0.00 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 59.08 1klv h GLU 97 Cb 0.59 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 28.98 1klv h GLU 97 CO 0.02 0.00 0.80 0.72 -1.16 0.00 0.00 179.01 179.38 1klv n HIS 98 N -3.80 2.82 -1.51 4.33 8.25 0.34 -4.98 115.22 120.67 1klv n HIS 98 Ca -0.01 -2.71 -0.30 0.00 -0.26 0.00 0.00 57.72 54.45 1klv n HIS 98 Cb 0.03 -1.33 0.11 0.00 1.12 0.00 0.00 29.99 29.91 1klv n HIS 98 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1klv s HIS 99 N -3.39 2.70 -0.42 4.41 2.46 -0.96 -2.56 115.29 117.53 1klv s HIS 99 Ca 0.57 1.09 0.08 0.00 0.47 0.00 0.00 55.06 57.26 1klv s HIS 99 Cb 0.45 -3.19 0.26 0.00 -0.13 0.00 0.00 32.58 29.96 1klv s HIS 99 CO -0.07 -1.98 0.65 -1.91 -2.47 0.00 0.00 174.74 168.96 1klv n GLU 100 N -3.56 0.76 0.00 2.88 2.13 0.02 -4.81 120.64 118.06 1klv n GLU 100 Ca 0.07 -2.81 0.00 0.00 0.66 0.00 0.00 57.16 55.08 1klv n GLU 100 Cb 0.57 -1.31 0.00 0.00 0.27 0.00 0.00 31.44 30.97 1klv n GLU 100 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1klv n GLU 101 N 1.36 0.00 0.00 5.31 1.02 -1.26 -4.22 120.64 122.84 1klv n GLU 101 Ca 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1klv n GLU 101 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 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 -3.93 0.00 0.00 1.62 9.92 -1.26 -3.46 116.55 119.44 1klv n ASP 102 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1klv n ASP 102 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1klv n ASP 102 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1klv n PHE 103 N 0.00 0.00 -3.52 1.24 3.72 -1.26 -5.07 117.46 112.56 1klv n PHE 103 Ca 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 1klv n PHE 103 Cb 0.00 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 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 0.00 -0.61 0.30 1.38 0.08 -1.22 -4.81 117.98 113.09 1klv s PHE 104 Ca 0.00 1.02 0.10 0.00 0.12 0.00 0.00 56.93 58.16 1klv s PHE 104 Cb 0.00 0.42 -0.05 0.00 -0.57 0.00 0.00 43.02 42.83 1klv s PHE 104 CO 0.00 -0.58 -0.02 -0.48 -0.10 0.00 0.00 175.22 174.04 1klv s LEU 105 N -1.26 3.04 -0.08 -0.37 0.05 -1.08 -0.80 118.68 118.19 1klv s LEU 105 Ca -0.09 -0.81 0.05 0.00 0.05 0.00 0.00 54.13 53.33 1klv s LEU 105 Cb -0.00 -1.52 -0.00 0.00 -2.05 0.00 0.00 46.19 42.62 1klv s LEU 105 CO 0.08 -0.08 -0.24 -0.72 -0.55 0.00 0.00 176.35 174.83 1klv s TYR 106 N -2.42 2.44 -0.05 3.48 -0.85 -1.06 -0.07 117.35 118.82 1klv s TYR 106 Ca 0.33 -0.85 -0.02 0.00 -0.52 0.00 0.00 57.07 56.00 1klv s TYR 106 Cb -0.04 -1.61 0.03 0.00 0.38 0.00 0.00 41.96 40.72 1klv s TYR 106 CO 0.19 -0.31 0.09 0.42 -1.52 0.00 0.00 175.55 174.42 1klv s ILE 107 N 0.09 -0.12 0.26 -3.49 1.01 -0.78 -4.32 121.20 113.85 1klv s ILE 107 Ca -0.11 0.31 0.10 0.00 0.00 0.00 0.00 60.65 60.96 1klv s ILE 107 Cb -0.16 -0.17 -0.05 0.00 0.01 0.00 0.00 42.46 42.09 1klv s ILE 107 CO 0.06 0.13 -0.17 0.00 0.00 0.00 0.00 174.94 174.96 1klv s ALA 108 N 1.72 2.50 0.13 9.38 0.00 -1.08 -1.81 121.76 132.59 1klv s ALA 108 Ca -0.02 -1.81 0.02 0.00 0.00 0.00 0.00 51.96 50.15 1klv s ALA 108 Cb -0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1klv s ALA 108 CO -0.04 0.19 -0.03 1.52 0.00 0.00 0.00 175.76 177.40 1klv s TYR 109 N -2.68 1.05 0.35 0.00 1.13 -0.93 -1.23 117.35 115.03 1klv s TYR 109 Ca 0.28 -0.97 -0.01 0.00 -1.41 0.00 0.00 57.07 54.95 1klv s TYR 109 Cb -0.03 -0.60 0.00 0.00 -1.10 0.00 0.00 41.96 40.23 1klv s TYR 109 CO 0.12 -0.19 0.46 0.45 -2.51 0.00 0.00 175.55 173.89 1klv s SER 110 N -3.11 1.01 0.00 -0.18 0.15 -1.07 -2.02 113.70 108.49 1klv s SER 110 Ca 0.18 -1.52 0.16 0.00 0.70 0.00 0.00 55.95 55.47 1klv s SER 110 Cb 0.06 0.66 0.04 0.00 -1.71 0.00 0.00 66.02 65.06 1klv s SER 110 CO -0.00 -1.29 0.90 -0.67 1.20 0.00 0.00 173.24 173.39 1klv n ASP 111 N -1.45 1.86 -0.51 5.45 -0.08 -1.26 -1.84 116.55 118.71 1klv n ASP 111 Ca 0.02 -1.43 0.06 0.00 -1.51 0.00 0.00 54.79 51.92 1klv n ASP 111 Cb 0.62 0.32 -0.01 0.00 2.34 0.00 0.00 41.12 44.38 1klv n ASP 111 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1klv n GLU 112 N 0.21 -0.85 -0.62 -0.67 0.00 -1.26 -4.42 120.64 113.03 1klv n GLU 112 Ca 0.08 0.56 0.05 0.00 0.00 0.00 0.00 57.16 57.84 1klv n GLU 112 Cb 0.36 -1.03 0.21 0.00 0.00 0.00 0.00 31.44 30.98 1klv n GLU 112 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1klv n SER 113 N -4.23 1.84 -4.07 4.31 2.88 -1.26 -5.06 113.62 108.03 1klv n SER 113 Ca 0.00 -3.87 -0.37 0.00 -1.33 0.00 0.00 58.87 53.30 1klv n SER 113 Cb 0.19 -0.54 0.06 0.00 -0.75 0.00 0.00 64.21 63.17 1klv n SER 113 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1klv n VAL 114 N -1.13 0.00 -1.64 2.46 3.14 -1.26 -4.64 118.33 115.26 1klv n VAL 114 Ca 0.21 -0.20 -0.52 0.00 -2.96 0.00 0.00 64.34 60.88 1klv n VAL 114 Cb 0.74 -0.13 -0.06 0.00 -1.06 0.00 0.00 33.84 33.34 1klv n VAL 114 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1klv n TYR 115 N -3.35 1.87 0.00 1.45 4.19 -1.26 -4.96 117.16 115.11 1klv n TYR 115 Ca -0.01 0.47 0.00 0.00 3.31 0.00 0.00 57.90 61.67 1klv n TYR 115 Cb 0.67 -2.44 0.00 0.00 0.49 0.00 0.00 39.34 38.06 1klv n TYR 115 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1klv n GLY 116 N 3.27 -0.62 0.53 2.98 0.00 -1.26 -5.17 105.19 104.92 1klv n GLY 116 Ca 0.20 -1.26 0.14 0.00 0.00 0.00 0.00 46.02 45.10 1klv n GLY 116 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79