#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 0.78 0.00 1.61 3.07 -2.05 -0.06 114.58 117.92 1klv h GLU 19 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1klv h GLU 19 Cb 0.00 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 27.73 1klv h GLU 19 CO 0.00 0.51 0.00 0.87 -1.40 0.00 0.00 179.01 178.99 1klv h LYS 20 N 0.80 0.00 0.00 2.33 6.56 -2.04 -2.95 116.57 121.27 1klv h LYS 20 Ca 0.27 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.86 1klv h LYS 20 Cb 0.08 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.74 1klv h LYS 20 CO -0.08 0.00 0.00 0.82 -2.06 0.00 0.00 179.45 178.13 1klv h ILE 21 N 0.00 0.00 0.00 1.86 5.03 -1.40 -2.82 117.51 120.17 1klv h ILE 21 Ca 0.00 -0.56 -0.01 0.00 -0.12 0.00 0.00 64.86 64.16 1klv h ILE 21 Cb 0.71 1.54 -0.00 0.00 -3.03 0.00 0.00 36.82 36.03 1klv h ILE 21 CO 0.00 0.00 -0.53 0.03 -0.68 0.00 0.00 178.15 176.97 1klv h ARG 22 N 0.00 0.00 0.03 2.37 -0.00 -1.50 -0.25 114.38 115.03 1klv h ARG 22 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.43 1klv h ARG 22 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.56 1klv h ARG 22 CO 0.00 0.04 -0.21 0.87 0.00 0.00 0.00 179.97 180.66 1klv h LYS 23 N 0.00 0.06 0.00 0.04 1.57 -1.61 -3.29 116.57 113.34 1klv h LYS 23 Ca -0.01 -0.11 -0.20 0.00 -1.87 0.00 0.00 60.65 58.46 1klv h LYS 23 Cb 1.04 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.36 1klv h LYS 23 CO 0.01 1.05 -1.26 1.57 -0.57 0.00 0.00 179.45 180.25 1klv h LYS 24 N -0.87 0.00 -2.30 3.15 2.10 -1.66 -3.38 116.57 113.61 1klv h LYS 24 Ca -0.04 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 57.97 1klv h LYS 24 Cb 1.15 0.00 -0.39 0.00 -0.90 0.00 0.00 32.23 32.08 1klv h LYS 24 CO 0.03 0.53 -0.32 0.66 -2.00 0.00 0.00 179.45 178.34 1klv n TYR 25 N -3.09 3.64 1.35 0.07 4.01 -0.11 -4.80 117.16 118.24 1klv n TYR 25 Ca -0.08 -3.78 0.11 0.00 -0.16 0.00 0.00 57.90 53.99 1klv n TYR 25 Cb 0.90 -0.65 0.64 0.00 -0.31 0.00 0.00 39.34 39.92 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 0.27 0.67 -0.01 -0.72 -0.04 -1.24 -2.53 135.00 131.40 1klv n PRO 26 Ca 0.32 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.85 1klv n PRO 26 Cb 0.38 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.00 2.19 -2.96 3.54 2.03 -1.26 -5.00 116.55 114.09 1klv n ASP 27 Ca 0.16 -1.59 -0.09 0.00 0.52 0.00 0.00 54.79 53.79 1klv n ASP 27 Cb 0.08 -0.01 0.05 0.00 -0.72 0.00 0.00 41.12 40.51 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 0.78 0.23 -3.41 -0.67 3.00 -1.05 -2.47 116.66 113.07 1klv n ARG 28 Ca 0.08 -1.03 -0.16 0.00 -0.01 0.00 0.00 57.85 56.74 1klv n ARG 28 Cb 0.35 -0.29 -0.10 0.00 0.00 0.00 0.00 32.46 32.42 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 -1.18 -0.42 -1.01 1.55 1.01 0.24 -4.49 120.40 116.10 1klv s VAL 29 Ca 0.26 -0.32 -0.23 0.00 0.00 0.00 0.00 61.98 61.69 1klv s VAL 29 Cb -0.01 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 1klv s VAL 29 CO 0.18 -0.34 1.81 -2.16 0.00 0.00 0.00 175.10 174.59 1klv s PRO 30 N 2.39 2.90 0.14 2.72 0.04 -1.26 -2.58 135.00 139.35 1klv s PRO 30 Ca 0.09 -0.78 -0.25 0.00 0.04 0.00 0.00 61.00 60.10 1klv s PRO 30 Cb -0.15 -5.20 -0.08 0.00 0.04 0.00 0.00 34.50 29.12 1klv s PRO 30 CO -0.25 -3.13 0.76 0.14 0.04 0.00 0.00 177.00 174.57 1klv s VAL 31 N 8.59 4.44 0.32 -0.36 -7.23 -0.59 -2.72 120.40 122.86 1klv s VAL 31 Ca 0.63 1.66 -0.00 0.00 -1.81 0.00 0.00 61.98 62.46 1klv s VAL 31 Cb -0.03 -4.12 -0.04 0.00 0.56 0.00 0.00 36.38 32.75 1klv s VAL 31 CO 0.00 0.50 0.52 -0.63 -0.31 0.00 0.00 175.10 175.19 1klv s ILE 32 N -0.99 5.11 -0.03 -0.62 -1.09 -0.16 -1.55 121.20 121.87 1klv s ILE 32 Ca 0.36 -0.40 0.02 0.00 -2.23 0.00 0.00 60.65 58.40 1klv s ILE 32 Cb -0.23 -3.83 0.01 0.00 -1.58 0.00 0.00 42.46 36.83 1klv s ILE 32 CO 0.25 -0.47 -0.06 -0.69 -1.23 0.00 0.00 174.94 172.74 1klv s VAL 33 N -2.22 0.60 0.22 2.92 1.01 -0.13 -2.07 120.40 120.73 1klv s VAL 33 Ca 0.40 -0.24 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 1klv s VAL 33 Cb -0.10 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 1klv s VAL 33 CO 0.34 0.21 0.36 -0.70 0.00 0.00 0.00 175.10 175.31 1klv s GLU 34 N 0.36 1.38 0.17 2.72 2.12 -0.88 -4.72 118.70 119.86 1klv s GLU 34 Ca -0.05 -1.30 0.03 0.00 0.36 0.00 0.00 54.97 54.01 1klv s GLU 34 Cb -0.09 0.41 -0.03 0.00 0.26 0.00 0.00 34.13 34.68 1klv s GLU 34 CO 0.00 -0.54 0.29 0.21 -0.54 0.00 0.00 175.26 174.68 1klv s LYS 35 N -4.03 3.39 0.40 4.30 2.47 -1.26 -2.21 119.74 122.80 1klv s LYS 35 Ca 0.24 -0.67 -0.07 0.00 -1.56 0.00 0.00 55.97 53.92 1klv s LYS 35 Cb 0.02 -2.92 0.10 0.00 -1.46 0.00 0.00 37.83 33.57 1klv s LYS 35 CO 0.07 0.49 0.29 0.00 0.16 0.00 0.00 175.35 176.37 1klv n ALA 36 N -0.76 -1.25 -2.22 3.13 0.00 -0.60 -4.81 120.51 114.00 1klv n ALA 36 Ca -0.08 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.47 1klv n ALA 36 Cb 0.55 -0.04 -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 -3.68 3.34 -1.13 0.00 0.04 -1.26 -3.17 135.00 129.13 1klv s PRO 37 Ca 0.20 0.94 -0.06 0.00 0.04 0.00 0.00 61.00 62.13 1klv s PRO 37 Cb -0.03 -4.14 0.01 0.00 0.04 0.00 0.00 34.50 30.38 1klv s PRO 37 CO 0.16 -1.86 0.98 1.63 0.04 0.00 0.00 177.00 177.96 1klv n LYS 38 N 8.43 -6.60 -0.44 4.56 5.02 -1.26 -4.99 118.16 122.88 1klv n LYS 38 Ca 0.18 0.71 -0.23 0.00 -2.02 0.00 0.00 58.31 56.95 1klv n LYS 38 Cb 0.48 -5.40 0.21 0.00 -0.02 0.00 0.00 35.03 30.31 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 -4.45 -3.44 -2.54 7.82 0.00 -1.19 -5.01 120.51 111.71 1klv n ALA 39 Ca -0.05 -1.21 -0.01 0.00 0.00 0.00 0.00 53.44 52.17 1klv n ALA 39 Cb 0.57 -0.10 0.04 0.00 0.00 0.00 0.00 19.45 19.97 1klv n ALA 39 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1klv n ARG 40 N -4.56 0.89 -2.19 0.00 -4.01 -1.26 -5.02 116.66 100.50 1klv n ARG 40 Ca 0.11 -1.98 -0.28 0.00 -1.04 0.00 0.00 57.85 54.67 1klv n ARG 40 Cb 0.46 -0.22 0.17 0.00 -3.04 0.00 0.00 32.46 29.83 1klv n ARG 40 CO 0.00 0.00 0.00 0.96 -3.04 0.00 0.00 177.63 175.55 1klv s ILE 41 N -1.03 2.01 1.43 8.89 -0.00 -1.26 -5.04 121.20 126.21 1klv s ILE 41 Ca 0.17 -0.23 -0.24 0.00 -0.00 0.00 0.00 60.65 60.36 1klv s ILE 41 Cb 0.30 -2.78 0.37 0.00 -0.00 0.00 0.00 42.46 40.35 1klv s ILE 41 CO -0.08 0.00 0.94 -0.83 -0.00 0.00 0.00 174.94 174.96 1klv s GLY 42 N -4.89 1.42 0.80 6.27 0.00 0.96 -5.00 107.32 106.88 1klv s GLY 42 Ca 0.73 -0.90 -0.14 0.00 0.00 0.00 0.00 44.72 44.42 1klv s GLY 42 CO 0.50 0.13 0.74 1.34 0.00 0.00 0.00 173.10 175.82 1klv n ASP 43 N -5.65 -1.57 -3.91 1.64 2.03 -1.26 -4.73 116.55 103.11 1klv n ASP 43 Ca 0.14 -0.98 -0.18 0.00 0.52 0.00 0.00 54.79 54.29 1klv n ASP 43 Cb 0.61 -0.67 -0.15 0.00 -0.72 0.00 0.00 41.12 40.18 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 1.59 0.10 -2.67 2.01 -1.26 -4.19 118.68 114.26 1klv s LEU 44 Ca 0.48 -0.09 0.14 0.00 0.01 0.00 0.00 54.13 54.66 1klv s LEU 44 Cb -0.04 -0.33 -0.12 0.00 0.01 0.00 0.00 46.19 45.71 1klv s LEU 44 CO 0.36 -0.01 1.01 -0.78 1.01 0.00 0.00 176.35 177.94 1klv h ASP 45 N 6.70 0.00 -5.00 2.29 1.82 -1.96 -3.47 116.42 116.79 1klv h ASP 45 Ca -0.35 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.22 1klv h ASP 45 Cb 1.16 0.00 -0.19 0.00 0.68 0.00 0.00 39.33 40.98 1klv h ASP 45 CO 0.49 0.70 0.10 -0.54 -1.61 0.00 0.00 179.24 178.38 1klv s LYS 46 N -2.84 0.99 -0.44 0.28 3.01 -1.26 -5.06 119.74 114.42 1klv s LYS 46 Ca -0.01 0.17 0.05 0.00 -1.01 0.00 0.00 55.97 55.17 1klv s LYS 46 Cb 0.08 0.46 0.43 0.00 -1.01 0.00 0.00 37.83 37.80 1klv s LYS 46 CO 0.80 -0.30 1.30 1.63 0.51 0.00 0.00 175.35 179.28 1klv n LYS 47 N 0.97 3.39 -3.15 1.68 4.01 -1.26 -4.92 118.16 118.87 1klv n LYS 47 Ca -0.19 -4.19 0.04 0.00 -0.51 0.00 0.00 58.31 53.46 1klv n LYS 47 Cb 0.57 -2.27 -0.01 0.00 -0.51 0.00 0.00 35.03 32.81 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 -3.63 0.47 -0.07 1.97 0.00 -1.26 -0.96 119.74 116.25 1klv s LYS 48 Ca 0.51 0.79 -0.02 0.00 0.00 0.00 0.00 55.97 57.24 1klv s LYS 48 Cb 0.42 0.43 -0.04 0.00 0.00 0.00 0.00 37.83 38.64 1klv s LYS 48 CO -0.11 -0.55 0.04 0.71 0.00 0.00 0.00 175.35 175.44 1klv s TYR 49 N 2.88 3.24 -0.53 1.78 1.51 -0.60 -4.95 117.35 120.68 1klv s TYR 49 Ca 0.15 0.24 -0.11 0.00 -1.01 0.00 0.00 57.07 56.34 1klv s TYR 49 Cb -0.13 -1.79 0.13 0.00 -0.11 0.00 0.00 41.96 40.06 1klv s TYR 49 CO -0.19 0.53 0.43 -1.17 -1.11 0.00 0.00 175.55 174.03 1klv s LEU 50 N -1.11 5.89 0.13 -1.29 2.96 -1.26 -1.55 118.68 122.45 1klv s LEU 50 Ca 0.16 -2.03 0.10 0.00 -0.22 0.00 0.00 54.13 52.14 1klv s LEU 50 Cb -0.12 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 1klv s LEU 50 CO 0.05 -0.70 -0.24 0.68 -1.32 0.00 0.00 176.35 174.82 1klv s VAL 51 N 1.20 2.08 0.45 1.68 -7.23 -1.06 -4.88 120.40 112.63 1klv s VAL 51 Ca 0.07 -1.74 -0.23 0.00 -1.81 0.00 0.00 61.98 58.27 1klv s VAL 51 Cb -0.25 -1.87 -0.08 0.00 0.56 0.00 0.00 36.38 34.74 1klv s VAL 51 CO -0.01 -0.01 1.18 -2.16 -0.31 0.00 0.00 175.10 173.79 1klv s PRO 52 N -2.14 3.80 0.36 4.82 0.04 -1.26 0.83 135.00 141.45 1klv s PRO 52 Ca 0.13 1.83 0.25 0.00 0.04 0.00 0.00 61.00 63.25 1klv s PRO 52 Cb -0.09 -2.47 1.30 0.00 0.04 0.00 0.00 34.50 33.27 1klv s PRO 52 CO 0.06 -0.53 1.77 1.03 0.04 0.00 0.00 177.00 179.37 1klv h SER 53 N 2.17 0.00 1.24 6.66 0.87 -1.71 -1.77 113.55 121.02 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 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1klv h SER 53 CO 0.61 0.00 -0.23 -0.67 -0.53 0.00 0.00 176.83 176.00 1klv n ASP 54 N -2.39 0.76 -4.77 6.23 2.03 -1.26 -0.54 116.55 116.62 1klv n ASP 54 Ca -0.01 0.40 -0.40 0.00 0.52 0.00 0.00 54.79 55.31 1klv n ASP 54 Cb 0.09 -0.44 0.01 0.00 -0.72 0.00 0.00 41.12 40.06 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 -4.39 4.13 0.54 -2.67 1.43 -0.66 -4.86 118.68 112.21 1klv s LEU 55 Ca 0.09 2.81 -0.01 0.00 -1.03 0.00 0.00 54.13 55.99 1klv s LEU 55 Cb 0.13 -3.95 0.02 0.00 0.03 0.00 0.00 46.19 42.42 1klv s LEU 55 CO 0.64 -1.09 0.79 0.42 0.23 0.00 0.00 176.35 177.35 1klv s THR 56 N -1.23 3.24 0.48 5.49 -4.23 -1.26 -1.10 115.64 117.02 1klv s THR 56 Ca 0.60 -0.44 0.25 0.00 -1.18 0.00 0.00 61.69 60.92 1klv s THR 56 Cb -0.41 -3.24 0.29 0.00 1.34 0.00 0.00 72.50 70.47 1klv s THR 56 CO 0.53 -0.19 2.12 0.58 -0.54 0.00 0.00 174.62 177.12 1klv h VAL 57 N 0.05 0.69 -0.08 2.29 2.07 -1.45 -1.66 116.25 118.16 1klv h VAL 57 Ca -0.44 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 66.64 1klv h VAL 57 Cb 1.28 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1klv h VAL 57 CO 0.56 0.09 -0.37 1.23 0.02 0.00 0.00 177.57 179.10 1klv h GLY 58 N 0.46 0.18 0.47 2.17 0.00 -1.86 -1.67 103.07 102.83 1klv h GLY 58 Ca -0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 1klv h GLY 58 CO 0.01 0.14 -0.34 1.46 0.00 0.00 0.00 176.54 177.82 1klv h GLN 59 N 0.14 0.20 -0.27 4.80 1.08 -1.68 -3.25 115.11 116.13 1klv h GLN 59 Ca 0.02 -0.24 -0.00 0.00 -1.45 0.00 0.00 58.65 56.98 1klv h GLN 59 Cb 0.72 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 1klv h GLN 59 CO 0.05 0.99 0.17 0.35 -0.95 0.00 0.00 178.83 179.44 1klv h PHE 60 N -0.49 0.35 -0.22 2.96 3.57 -1.48 -0.41 116.94 121.23 1klv h PHE 60 Ca -0.05 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.52 1klv h PHE 60 Cb 1.12 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 1klv h PHE 60 CO 0.19 0.26 0.54 -0.92 -2.23 0.00 0.00 178.31 176.14 1klv h TYR 61 N 0.35 0.00 0.00 0.41 5.03 -1.40 -1.11 116.97 120.25 1klv h TYR 61 Ca 0.10 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.41 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 -0.05 0.00 -0.00 0.35 -1.32 0.00 0.00 178.16 177.14 1klv h PHE 62 N 0.00 -0.00 -0.00 -3.82 3.57 -1.10 -2.55 116.94 113.04 1klv h PHE 62 Ca 0.10 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1klv h PHE 62 Cb 1.17 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 1klv h PHE 62 CO 0.00 0.50 0.01 1.37 -2.23 0.00 0.00 178.31 177.96 1klv h LEU 63 N -1.00 0.00 0.10 0.59 8.10 -0.99 -2.32 115.31 119.79 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 0.50 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.70 1klv h LEU 63 CO 0.00 0.00 -1.99 -0.38 -4.11 0.00 0.00 178.44 171.96 1klv n ILE 64 N -3.13 1.74 -0.13 0.15 5.41 -0.95 -3.92 119.36 118.53 1klv n ILE 64 Ca -0.03 -0.68 -0.03 0.00 1.00 0.00 0.00 62.75 63.01 1klv n ILE 64 Cb 0.08 -1.59 -0.03 0.00 -0.71 0.00 0.00 39.64 37.39 1klv n ILE 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1klv n ARG 65 N -3.39 -0.13 0.15 0.38 1.74 -0.87 0.15 116.66 114.68 1klv n ARG 65 Ca -0.30 0.92 0.04 0.00 -0.77 0.00 0.00 57.85 57.74 1klv n ARG 65 Cb 1.05 -1.37 0.46 0.00 -1.02 0.00 0.00 32.46 31.58 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 0.18 0.00 5.56 6.56 -1.78 -1.25 116.57 125.84 1klv h LYS 66 Ca 0.05 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1klv h LYS 66 Cb 0.12 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.76 1klv h LYS 66 CO -0.29 0.27 0.00 0.00 -2.06 0.00 0.00 179.45 177.37 1klv h ARG 67 N 0.17 0.00 -0.60 3.15 2.47 0.12 -1.74 114.38 117.96 1klv h ARG 67 Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1klv h ARG 67 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1klv h ARG 67 CO 0.01 0.00 0.00 -0.89 0.56 0.00 0.00 179.97 179.65 1klv n ILE 68 N -2.58 1.31 -1.77 2.04 5.41 0.63 -4.16 119.36 120.24 1klv n ILE 68 Ca 0.00 -1.11 -0.12 0.00 1.00 0.00 0.00 62.75 62.52 1klv n ILE 68 Cb 0.19 0.35 -0.04 0.00 -0.71 0.00 0.00 39.64 39.44 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 1.12 -0.78 -3.21 1.39 -0.00 -0.66 -0.03 115.22 113.06 1klv n HIS 69 Ca 0.22 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 58.13 1klv n HIS 69 Cb 0.67 -2.60 -0.02 0.00 -0.12 0.00 0.00 29.99 27.92 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 -4.40 3.96 0.00 0.27 0.05 -1.21 -4.63 118.68 112.72 1klv s LEU 70 Ca 0.00 0.68 0.00 0.00 0.05 0.00 0.00 54.13 54.86 1klv s LEU 70 Cb 0.00 -3.54 0.00 0.00 -2.05 0.00 0.00 46.19 40.60 1klv s LEU 70 CO 0.00 -0.31 0.00 -2.11 -0.55 0.00 0.00 176.35 173.38 1klv n ARG 71 N -1.48 0.00 0.00 1.48 1.85 -1.26 -4.67 116.66 112.58 1klv n ARG 71 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 1klv n ARG 71 Cb 0.55 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.96 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 -2.03 2.89 0.00 -1.26 -1.95 120.51 115.17 1klv n ALA 72 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1klv n ALA 72 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 0.00 -0.61 0.00 0.28 -1.26 -5.14 120.64 113.91 1klv n GLU 73 Ca 0.00 -0.87 -0.20 0.00 -0.16 0.00 0.00 57.16 55.93 1klv n GLU 73 Cb 0.00 0.37 0.12 0.00 1.43 0.00 0.00 31.44 33.36 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 0.03 -2.81 -4.79 -1.84 2.03 -0.82 -4.95 116.55 103.40 1klv n ASP 74 Ca -0.21 -0.27 -0.36 0.00 0.52 0.00 0.00 54.79 54.47 1klv n ASP 74 Cb 0.69 -0.74 -0.07 0.00 -0.72 0.00 0.00 41.12 40.27 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 -2.08 3.61 -0.10 -1.67 0.00 -1.26 -5.01 121.76 115.25 1klv s ALA 75 Ca 0.35 -0.73 -0.31 0.00 0.00 0.00 0.00 51.96 51.27 1klv s ALA 75 Cb -0.05 -1.73 0.10 0.00 0.00 0.00 0.00 23.12 21.44 1klv s ALA 75 CO 0.37 0.62 0.84 -1.17 0.00 0.00 0.00 175.76 176.42 1klv s LEU 76 N -1.06 -0.52 -0.27 0.00 2.96 -1.26 -4.54 118.68 114.00 1klv s LEU 76 Ca 0.15 0.56 -0.10 0.00 -0.22 0.00 0.00 54.13 54.52 1klv s LEU 76 Cb -0.12 2.20 0.11 0.00 0.50 0.00 0.00 46.19 48.89 1klv s LEU 76 CO 0.05 -0.48 0.60 -0.36 -1.32 0.00 0.00 176.35 174.83 1klv s PHE 77 N -1.16 -1.15 0.14 5.38 0.08 -0.73 -4.94 117.98 115.59 1klv s PHE 77 Ca -0.06 2.09 -0.30 0.00 0.12 0.00 0.00 56.93 58.77 1klv s PHE 77 Cb -0.00 0.65 -0.07 0.00 -0.57 0.00 0.00 43.02 43.03 1klv s PHE 77 CO 0.06 -0.59 0.96 -0.06 -0.10 0.00 0.00 175.22 175.48 1klv s PHE 78 N 2.58 3.85 -0.14 0.36 0.08 -1.26 -2.19 117.98 121.27 1klv s PHE 78 Ca -0.06 1.83 0.02 0.00 0.12 0.00 0.00 56.93 58.84 1klv s PHE 78 Cb -0.11 -3.04 0.00 0.00 -0.57 0.00 0.00 43.02 39.30 1klv s PHE 78 CO -0.18 0.25 -0.19 -0.06 -0.10 0.00 0.00 175.22 174.94 1klv s PHE 79 N -0.27 2.70 -0.14 0.36 0.40 -0.40 -4.75 117.98 115.87 1klv s PHE 79 Ca 0.46 -1.14 0.02 0.00 -0.60 0.00 0.00 56.93 55.67 1klv s PHE 79 Cb -0.24 -1.82 0.01 0.00 0.51 0.00 0.00 43.02 41.48 1klv s PHE 79 CO 0.30 -0.50 -0.21 0.08 0.70 0.00 0.00 175.22 175.60 1klv s VAL 80 N 0.69 1.97 -1.44 -0.44 1.01 -0.72 -2.53 120.40 118.94 1klv s VAL 80 Ca -0.09 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 1klv s VAL 80 Cb -0.16 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.48 1klv s VAL 80 CO 0.01 0.53 0.42 -3.20 0.00 0.00 0.00 175.10 172.87 1klv n ASN 81 N 4.20 -0.48 -3.22 3.32 2.85 -1.26 -0.06 115.26 120.61 1klv n ASN 81 Ca -0.20 -1.02 -0.23 0.00 -0.11 0.00 0.00 54.58 53.01 1klv n ASN 81 Cb 0.51 -2.94 0.03 0.00 1.24 0.00 0.00 39.78 38.62 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 -2.95 -5.48 -4.27 1.20 3.02 -1.26 -4.97 115.26 100.55 1klv n ASN 82 Ca -0.28 -0.37 -0.14 0.00 -0.03 0.00 0.00 54.58 53.76 1klv n ASN 82 Cb 0.67 -4.43 -0.10 0.00 -0.61 0.00 0.00 39.78 35.31 1klv n ASN 82 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1klv s VAL 83 N -3.14 0.57 -0.47 2.41 1.01 0.91 -5.10 120.40 116.58 1klv s VAL 83 Ca 0.38 -1.99 0.06 0.00 0.00 0.00 0.00 61.98 60.44 1klv s VAL 83 Cb -0.18 -2.35 0.23 0.00 0.00 0.00 0.00 36.38 34.08 1klv s VAL 83 CO 0.47 -0.26 0.76 -0.38 0.00 0.00 0.00 175.10 175.69 1klv n ILE 84 N -0.33 -0.21 -1.43 2.22 -0.00 -1.26 -1.76 119.36 116.59 1klv n ILE 84 Ca -0.03 -2.02 -0.30 0.00 -0.00 0.00 0.00 62.75 60.40 1klv n ILE 84 Cb 0.65 0.54 0.10 0.00 -0.00 0.00 0.00 39.64 40.93 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 0.33 1.93 1.06 0.38 0.04 -1.26 -4.97 135.00 132.51 1klv s PRO 85 Ca 0.32 0.76 -0.18 0.00 0.04 0.00 0.00 61.00 61.94 1klv s PRO 85 Cb 0.17 -1.89 0.26 0.00 0.04 0.00 0.00 34.50 33.07 1klv s PRO 85 CO -0.18 -1.76 1.06 -0.35 0.04 0.00 0.00 177.00 175.81 1klv n PRO 86 N -3.54 -2.46 -0.26 0.56 -0.04 -1.26 -4.91 135.00 123.09 1klv n PRO 86 Ca 0.07 -1.68 0.02 0.00 -0.04 0.00 0.00 63.50 61.88 1klv n PRO 86 Cb 0.55 -1.43 0.12 0.00 -0.04 0.00 0.00 33.50 32.71 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 -4.38 0.81 -0.97 0.52 -2.24 -1.26 -4.19 114.28 102.57 1klv n THR 87 Ca 0.14 -0.42 -0.21 0.00 -2.27 0.00 0.00 64.05 61.29 1klv n THR 87 Cb 0.53 -0.38 0.05 0.00 -2.10 0.00 0.00 70.33 68.44 1klv n THR 87 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1klv n SER 88 N 0.19 6.56 -1.89 3.42 7.64 -1.26 -4.23 113.62 124.05 1klv n SER 88 Ca 0.08 -3.25 -0.07 0.00 1.01 0.00 0.00 58.87 56.65 1klv n SER 88 Cb 0.51 -1.01 -0.02 0.00 -1.01 0.00 0.00 64.21 62.68 1klv n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1klv n ALA 89 N -0.04 0.02 -2.90 -0.43 0.00 -1.26 -5.04 120.51 110.85 1klv n ALA 89 Ca 0.39 -0.74 -0.11 0.00 0.00 0.00 0.00 53.44 52.98 1klv n ALA 89 Cb 0.65 0.60 -0.13 0.00 0.00 0.00 0.00 19.45 20.57 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 -2.59 0.07 0.32 0.00 -4.23 -1.26 -1.53 115.64 106.43 1klv s THR 90 Ca 0.14 -0.37 0.10 0.00 -1.18 0.00 0.00 61.69 60.38 1klv s THR 90 Cb 0.00 -0.13 0.33 0.00 1.34 0.00 0.00 72.50 74.04 1klv s THR 90 CO 0.10 -0.18 1.65 0.24 -0.54 0.00 0.00 174.62 175.89 1klv h MET 91 N 5.56 0.26 -0.57 3.99 2.86 -1.28 0.32 114.93 126.07 1klv h MET 91 Ca -0.27 -0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.46 1klv h MET 91 Cb 1.21 -0.06 -0.09 0.00 0.06 0.00 0.00 31.60 32.72 1klv h MET 91 CO 0.47 0.17 0.03 0.78 1.06 0.00 0.00 176.91 179.42 1klv h GLY 92 N 0.27 0.63 1.85 8.32 0.00 -0.99 0.17 103.07 113.32 1klv h GLY 92 Ca 0.67 0.05 -0.05 0.00 0.00 0.00 0.00 47.33 48.00 1klv h GLY 92 CO -0.64 -0.16 -0.15 0.06 0.00 0.00 0.00 176.54 175.65 1klv h GLN 93 N 0.14 0.18 0.00 4.80 3.07 -0.51 -1.59 115.11 121.21 1klv h GLN 93 Ca 0.30 -0.04 -0.03 0.00 0.09 0.00 0.00 58.65 58.96 1klv h GLN 93 Cb 0.46 -0.02 -0.00 0.00 0.08 0.00 0.00 27.48 27.99 1klv h GLN 93 CO -0.46 0.34 -0.15 1.37 0.09 0.00 0.00 178.83 180.02 1klv h LEU 94 N 0.17 0.00 -0.09 0.06 8.10 -0.33 -3.16 115.31 120.06 1klv h LEU 94 Ca 0.03 0.00 0.04 0.00 0.11 0.00 0.00 57.88 58.06 1klv h LEU 94 Cb 0.38 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.54 1klv h LEU 94 CO 0.02 0.15 -0.41 0.22 -4.11 0.00 0.00 178.44 174.31 1klv h TYR 95 N 0.00 -1.17 0.00 0.17 3.20 -0.48 0.26 116.97 118.95 1klv h TYR 95 Ca -0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1klv h TYR 95 Cb 0.52 0.52 0.00 0.00 1.54 0.00 0.00 36.73 39.31 1klv h TYR 95 CO 0.00 -0.47 0.00 1.96 -1.64 0.00 0.00 178.16 178.01 1klv h GLN 96 N -0.50 0.00 0.00 1.82 1.08 -1.70 -3.13 115.11 112.67 1klv h GLN 96 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1klv h GLN 96 Cb 0.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1klv h GLN 96 CO -0.37 0.00 0.00 0.39 -0.95 0.00 0.00 178.83 177.90 1klv n GLU 97 N -2.44 0.00 -1.33 1.46 -0.58 0.66 -4.64 120.64 113.77 1klv n GLU 97 Ca 0.02 0.26 -0.33 0.00 -0.42 0.00 0.00 57.16 56.69 1klv n GLU 97 Cb 0.24 -0.73 0.10 0.00 -0.57 0.00 0.00 31.44 30.47 1klv n GLU 97 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1klv n HIS 98 N -2.08 3.17 -2.63 -0.32 8.25 0.19 -4.99 115.22 116.82 1klv n HIS 98 Ca 0.00 -2.81 -0.22 0.00 -0.26 0.00 0.00 57.72 54.44 1klv n HIS 98 Cb 0.00 -1.33 0.05 0.00 1.12 0.00 0.00 29.99 29.83 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 -3.73 2.60 0.04 4.41 -3.43 -1.18 -2.60 115.29 111.40 1klv s HIS 99 Ca 0.63 -0.07 0.00 0.00 -0.80 0.00 0.00 55.06 54.82 1klv s HIS 99 Cb 0.50 -2.79 0.00 0.00 -1.43 0.00 0.00 32.58 28.86 1klv s HIS 99 CO 0.01 -1.04 0.00 0.39 -2.00 0.00 0.00 174.74 172.11 1klv n GLU 100 N -2.44 -1.90 0.00 -0.38 1.02 -0.88 -4.94 120.64 111.12 1klv n GLU 100 Ca 0.09 1.69 0.00 0.00 -0.02 0.00 0.00 57.16 58.92 1klv n GLU 100 Cb 0.60 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1klv n GLU 100 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1klv n GLU 101 N 0.66 0.00 0.00 3.49 -0.00 -1.26 -4.93 120.64 118.59 1klv n GLU 101 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1klv n GLU 101 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1klv n GLU 101 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1klv n ASP 102 N 0.00 0.00 0.18 -1.84 2.03 -1.26 -5.05 116.55 110.61 1klv n ASP 102 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1klv n ASP 102 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1klv n ASP 102 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1klv n PHE 103 N -0.32 -4.18 0.00 -0.67 -0.00 -1.26 -5.14 117.46 105.89 1klv n PHE 103 Ca 0.00 1.24 0.00 0.00 -0.00 0.00 0.00 57.45 58.69 1klv n PHE 103 Cb 0.00 3.20 0.00 0.00 -0.00 0.00 0.00 39.48 42.68 1klv n PHE 103 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1klv n PHE 104 N -3.31 0.00 -3.11 -5.13 3.72 -1.26 -4.82 117.46 103.54 1klv n PHE 104 Ca 0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.19 1klv n PHE 104 Cb 0.00 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 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 3.71 -0.12 4.37 0.05 -1.10 -2.07 118.68 123.52 1klv s LEU 105 Ca 0.00 0.03 0.02 0.00 0.05 0.00 0.00 54.13 54.23 1klv s LEU 105 Cb 0.00 -2.94 0.01 0.00 -2.05 0.00 0.00 46.19 41.21 1klv s LEU 105 CO 0.00 -0.67 -0.17 -0.47 -0.55 0.00 0.00 176.35 174.49 1klv s TYR 106 N -2.44 2.17 -0.03 3.48 6.14 -1.07 -0.99 117.35 124.61 1klv s TYR 106 Ca 0.49 -1.08 -0.01 0.00 0.64 0.00 0.00 57.07 57.11 1klv s TYR 106 Cb -0.10 -1.54 0.02 0.00 0.42 0.00 0.00 41.96 40.76 1klv s TYR 106 CO 0.35 -0.54 0.07 0.42 0.64 0.00 0.00 175.55 176.49 1klv s ILE 107 N 1.03 -0.04 0.38 3.14 1.01 -0.88 -4.04 121.20 121.81 1klv s ILE 107 Ca -0.05 0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.79 1klv s ILE 107 Cb -0.15 -0.13 -0.03 0.00 0.01 0.00 0.00 42.46 42.17 1klv s ILE 107 CO -0.03 0.06 0.17 0.00 0.00 0.00 0.00 174.94 175.14 1klv s ALA 108 N 0.76 2.55 0.08 9.38 0.00 -1.05 -2.08 121.76 131.40 1klv s ALA 108 Ca -0.06 -1.50 0.03 0.00 0.00 0.00 0.00 51.96 50.43 1klv s ALA 108 Cb -0.08 0.99 -0.03 0.00 0.00 0.00 0.00 23.12 24.00 1klv s ALA 108 CO -0.03 -0.45 -0.09 1.52 0.00 0.00 0.00 175.76 176.71 1klv s TYR 109 N -3.31 0.95 0.26 0.00 1.13 -0.94 -1.28 117.35 114.16 1klv s TYR 109 Ca 0.29 -0.62 -0.04 0.00 -1.41 0.00 0.00 57.07 55.29 1klv s TYR 109 Cb 0.03 -0.53 -0.02 0.00 -1.10 0.00 0.00 41.96 40.33 1klv s TYR 109 CO 0.18 -0.04 0.33 0.45 -2.51 0.00 0.00 175.55 173.96 1klv s SER 110 N -2.20 0.46 -0.17 -0.18 0.15 -0.93 -1.56 113.70 109.26 1klv s SER 110 Ca 0.01 -1.34 0.14 0.00 0.70 0.00 0.00 55.95 55.46 1klv s SER 110 Cb -0.05 0.53 0.42 0.00 -1.71 0.00 0.00 66.02 65.22 1klv s SER 110 CO -0.00 -1.06 1.21 -0.90 1.20 0.00 0.00 173.24 173.68 1klv n ASP 111 N -0.74 1.67 -4.51 5.45 5.68 -1.26 -1.78 116.55 121.07 1klv n ASP 111 Ca 0.01 -3.53 -0.24 0.00 -0.50 0.00 0.00 54.79 50.54 1klv n ASP 111 Cb 0.63 -0.48 -0.09 0.00 -1.14 0.00 0.00 41.12 40.04 1klv n ASP 111 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1klv s GLU 112 N -2.64 1.80 -0.19 0.11 2.02 -1.26 -4.88 118.70 113.65 1klv s GLU 112 Ca 0.38 -1.71 0.14 0.00 0.02 0.00 0.00 54.97 53.80 1klv s GLU 112 Cb 0.37 -1.84 0.44 0.00 0.10 0.00 0.00 34.13 33.20 1klv s GLU 112 CO -0.09 0.33 1.19 0.43 0.02 0.00 0.00 175.26 177.15 1klv n SER 113 N -0.68 2.25 -4.14 -0.19 7.64 -1.26 -4.91 113.62 112.32 1klv n SER 113 Ca -0.05 -3.34 -0.36 0.00 1.01 0.00 0.00 58.87 56.13 1klv n SER 113 Cb 0.60 -0.44 0.10 0.00 -1.01 0.00 0.00 64.21 63.46 1klv n SER 113 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1klv n VAL 114 N -0.67 0.00 -1.51 0.44 3.14 -1.26 -4.39 118.33 114.08 1klv n VAL 114 Ca 0.21 -0.17 -0.34 0.00 -2.96 0.00 0.00 64.34 61.08 1klv n VAL 114 Cb 0.85 -0.31 -0.14 0.00 -1.06 0.00 0.00 33.84 33.18 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 -3.93 0.66 -4.04 1.45 9.36 -1.26 -4.87 117.16 114.52 1klv n TYR 115 Ca -0.01 0.23 -0.22 0.00 3.32 0.00 0.00 57.90 61.22 1klv n TYR 115 Cb 0.68 -2.07 -0.05 0.00 -0.63 0.00 0.00 39.34 37.27 1klv n TYR 115 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1klv s GLY 116 N 7.96 1.66 0.00 2.98 0.00 -1.26 -5.25 107.32 113.41 1klv s GLY 116 Ca 1.25 -1.60 0.21 0.00 0.00 0.00 0.00 44.72 44.58 1klv s GLY 116 CO 0.43 -1.59 1.18 1.47 0.00 0.00 0.00 173.10 174.59