#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nb5 s ILE 7 N 0.00 0.00 -0.14 1.12 1.01 -1.26 -5.06 121.20 116.87 1nb5 s ILE 7 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 60.65 60.36 1nb5 s ILE 7 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 1nb5 s ILE 7 CO 0.00 0.00 1.49 -2.84 0.00 0.00 0.00 174.94 173.59 1nb5 s PRO 8 N -1.86 4.11 0.00 2.79 0.02 -1.26 -2.08 135.00 136.72 1nb5 s PRO 8 Ca 0.01 1.85 0.00 0.00 0.02 0.00 0.00 61.00 62.88 1nb5 s PRO 8 Cb -0.01 -3.91 0.00 0.00 0.02 0.00 0.00 34.50 30.60 1nb5 s PRO 8 CO -0.02 -0.90 0.00 0.41 -0.33 0.00 0.00 177.00 176.16 1nb5 n GLY 9 N 4.06 0.70 3.98 0.52 0.00 -1.26 -5.07 105.19 108.12 1nb5 n GLY 9 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1nb5 n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nb5 s GLY 10 N -1.48 1.84 0.62 -0.02 0.00 -0.89 -4.87 107.32 102.52 1nb5 s GLY 10 Ca 0.00 -1.41 -0.11 0.00 0.00 0.00 0.00 44.72 43.20 1nb5 s GLY 10 CO 0.00 -1.12 1.03 1.08 0.00 0.00 0.00 173.10 174.09 1nb5 s LEU 11 N -4.73 3.24 0.00 0.66 1.43 -1.26 -4.46 118.68 113.56 1nb5 s LEU 11 Ca 0.58 1.43 -0.09 0.00 -1.03 0.00 0.00 54.13 55.02 1nb5 s LEU 11 Cb -0.10 -4.47 0.14 0.00 0.03 0.00 0.00 46.19 41.79 1nb5 s LEU 11 CO 0.38 -0.87 0.88 -1.54 0.23 0.00 0.00 176.35 175.43 1nb5 n SER 12 N -2.72 0.30 -4.75 2.29 3.41 0.25 -4.84 113.62 107.57 1nb5 n SER 12 Ca 0.06 -1.46 -0.40 0.00 -0.26 0.00 0.00 58.87 56.80 1nb5 n SER 12 Cb 0.54 -0.65 -0.05 0.00 -0.26 0.00 0.00 64.21 63.79 1nb5 n SER 12 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1nb5 s GLU 13 N -4.85 4.74 0.89 4.33 2.12 -1.26 -4.68 118.70 119.99 1nb5 s GLU 13 Ca 0.51 1.62 -0.10 0.00 0.36 0.00 0.00 54.97 57.36 1nb5 s GLU 13 Cb -0.02 -3.26 0.13 0.00 0.26 0.00 0.00 34.13 31.25 1nb5 s GLU 13 CO 0.36 0.33 1.15 0.00 -0.54 0.00 0.00 175.26 176.55 1nb5 s ALA 14 N -0.91 1.56 0.09 6.30 0.00 -1.26 -4.63 121.76 122.91 1nb5 s ALA 14 Ca 0.44 0.60 -0.10 0.00 0.00 0.00 0.00 51.96 52.89 1nb5 s ALA 14 Cb -0.28 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.40 1nb5 s ALA 14 CO 0.35 -2.65 0.24 0.15 0.00 0.00 0.00 175.76 173.84 1nb5 s LYS 15 N -4.62 0.88 0.91 0.00 3.01 0.27 -4.92 119.74 115.28 1nb5 s LYS 15 Ca 0.67 -0.88 -0.12 0.00 -1.01 0.00 0.00 55.97 54.64 1nb5 s LYS 15 Cb -0.23 0.37 0.14 0.00 -1.01 0.00 0.00 37.83 37.10 1nb5 s LYS 15 CO 0.57 -0.30 1.09 -2.14 0.51 0.00 0.00 175.35 175.09 1nb5 s PRO 16 N -3.76 1.11 0.54 -1.68 0.02 -1.26 -0.54 135.00 129.43 1nb5 s PRO 16 Ca 0.04 0.86 -0.17 0.00 0.02 0.00 0.00 61.00 61.75 1nb5 s PRO 16 Cb 0.04 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.71 1nb5 s PRO 16 CO -0.11 -2.36 1.03 0.00 -0.33 0.00 0.00 177.00 175.23 1nb5 s ALA 17 N -2.89 2.88 0.08 -1.55 0.00 -0.90 -4.61 121.76 114.78 1nb5 s ALA 17 Ca 0.64 0.36 0.08 0.00 0.00 0.00 0.00 51.96 53.04 1nb5 s ALA 17 Cb -0.19 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 1nb5 s ALA 17 CO 0.57 -0.50 -0.20 -0.08 0.00 0.00 0.00 175.76 175.55 1nb5 s THR 18 N -2.42 1.63 0.00 0.00 -1.32 -1.26 -4.99 115.64 107.28 1nb5 s THR 18 Ca 0.63 -1.43 0.15 0.00 -1.21 0.00 0.00 61.69 59.83 1nb5 s THR 18 Cb -0.14 -1.47 0.15 0.00 -1.51 0.00 0.00 72.50 69.54 1nb5 s THR 18 CO 0.31 -0.02 1.39 -0.65 -2.21 0.00 0.00 174.62 173.45 1nb5 h PRO 19 N 4.29 0.00 -0.05 7.08 0.11 -1.97 1.17 132.00 142.63 1nb5 h PRO 19 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1nb5 h PRO 19 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1nb5 h PRO 19 CO 0.41 0.00 -0.05 1.49 -0.21 0.00 0.00 178.00 179.63 1nb5 h GLU 20 N 0.00 0.12 -0.15 1.05 4.81 -1.98 0.68 114.58 119.12 1nb5 h GLU 20 Ca 0.00 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1nb5 h GLU 20 Cb 0.49 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1nb5 h GLU 20 CO 0.00 0.58 0.06 0.82 -0.73 0.00 0.00 179.01 179.74 1nb5 h ILE 21 N -0.33 1.16 -0.68 2.32 1.08 0.91 -1.29 117.51 120.67 1nb5 h ILE 21 Ca 0.01 -0.48 0.10 0.00 -0.39 0.00 0.00 64.86 64.09 1nb5 h ILE 21 Cb 0.56 1.20 -0.08 0.00 -3.07 0.00 0.00 36.82 35.44 1nb5 h ILE 21 CO 0.01 0.15 0.30 -0.61 -0.69 0.00 0.00 178.15 177.32 1nb5 h GLN 22 N 0.08 0.50 -0.62 2.37 5.75 -0.84 0.84 115.11 123.19 1nb5 h GLN 22 Ca 0.05 -0.03 0.11 0.00 -0.15 0.00 0.00 58.65 58.63 1nb5 h GLN 22 Cb 0.18 -0.11 -0.08 0.00 1.07 0.00 0.00 27.48 28.54 1nb5 h GLN 22 CO -0.00 0.33 0.18 1.49 -2.65 0.00 0.00 178.83 178.17 1nb5 h GLU 23 N 0.51 0.31 -0.68 1.69 4.81 0.12 0.28 114.58 121.62 1nb5 h GLU 23 Ca 0.35 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.53 1nb5 h GLU 23 Cb 0.41 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1nb5 h GLU 23 CO -0.30 0.21 0.34 0.82 -0.73 0.00 0.00 179.01 179.34 1nb5 h ILE 24 N 0.32 1.23 -0.16 2.32 2.04 0.19 -2.27 117.51 121.17 1nb5 h ILE 24 Ca 0.33 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1nb5 h ILE 24 Cb 0.47 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1nb5 h ILE 24 CO -0.38 0.26 0.06 0.58 0.00 0.00 0.00 178.15 178.67 1nb5 h VAL 25 N 0.95 1.18 0.44 1.67 2.07 0.12 -2.60 116.25 120.07 1nb5 h VAL 25 Ca 0.24 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1nb5 h VAL 25 Cb 0.11 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1nb5 h VAL 25 CO -0.03 0.17 -0.35 0.44 0.02 0.00 0.00 177.57 177.81 1nb5 h ASP 26 N 0.09 -0.94 -1.01 0.57 3.45 -0.62 -2.45 116.42 115.52 1nb5 h ASP 26 Ca 0.05 0.07 0.29 0.00 0.43 0.00 0.00 57.03 57.87 1nb5 h ASP 26 Cb 0.21 0.29 -0.14 0.00 -0.56 0.00 0.00 39.33 39.14 1nb5 h ASP 26 CO -0.00 -0.49 0.59 0.11 -1.57 0.00 0.00 179.24 177.88 1nb5 h LYS 27 N -0.77 0.42 -0.03 3.56 1.57 -1.46 0.48 116.57 120.35 1nb5 h LYS 27 Ca -0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1nb5 h LYS 27 Cb 0.64 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1nb5 h LYS 27 CO 0.00 0.28 0.00 1.55 -0.57 0.00 0.00 179.45 180.72 1nb5 n VAL 28 N -4.95 0.01 -0.02 0.50 3.14 -0.98 -4.28 118.33 111.75 1nb5 n VAL 28 Ca 0.29 -0.32 -0.09 0.00 -2.96 0.00 0.00 64.34 61.26 1nb5 n VAL 28 Cb 0.89 0.76 -0.02 0.00 -1.06 0.00 0.00 33.84 34.40 1nb5 n VAL 28 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 1nb5 h LYS 29 N 2.99 -0.21 -0.76 1.45 3.64 -0.40 -1.01 116.57 122.27 1nb5 h LYS 29 Ca 0.00 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.55 1nb5 h LYS 29 Cb 0.64 0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.40 1nb5 h LYS 29 CO 0.00 -0.14 0.28 -1.35 -2.27 0.00 0.00 179.45 175.97 1nb5 h PRO 30 N -0.22 0.39 -0.43 1.90 0.11 -1.75 0.54 132.00 132.54 1nb5 h PRO 30 Ca 0.12 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 1nb5 h PRO 30 Cb 0.40 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 1nb5 h PRO 30 CO -0.32 0.26 0.17 0.37 -0.21 0.00 0.00 178.00 178.27 1nb5 h GLN 31 N 0.40 0.60 0.09 1.05 4.15 -1.59 0.08 115.11 119.90 1nb5 h GLN 31 Ca 0.42 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.76 1nb5 h GLN 31 Cb 0.67 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1nb5 h GLN 31 CO -0.44 0.50 -0.05 1.25 -1.93 0.00 0.00 178.83 178.17 1nb5 h LEU 32 N 0.60 -0.11 -1.79 -2.39 6.46 0.87 -3.21 115.31 115.75 1nb5 h LEU 32 Ca 0.15 -0.46 0.02 0.00 -0.12 0.00 0.00 57.88 57.46 1nb5 h LEU 32 Cb 0.12 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.08 1nb5 h LEU 32 CO -0.01 0.47 0.43 -0.33 -0.62 0.00 0.00 178.44 178.37 1nb5 h GLU 33 N -0.74 0.00 0.00 1.25 5.08 0.47 0.79 114.58 121.43 1nb5 h GLU 33 Ca -0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1nb5 h GLU 33 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1nb5 h GLU 33 CO 0.02 0.00 -0.78 0.93 -1.00 0.00 0.00 179.01 178.18 1nb5 h GLU 34 N 0.00 0.00 0.00 2.33 5.08 -1.00 -2.89 114.58 118.10 1nb5 h GLU 34 Ca 0.03 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 58.00 1nb5 h GLU 34 Cb 0.89 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.07 1nb5 h GLU 34 CO -0.00 0.12 -2.47 1.63 -1.00 0.00 0.00 179.01 177.29 1nb5 n LYS 35 N -2.89 0.64 0.06 2.33 5.02 0.17 -4.61 118.16 118.88 1nb5 n LYS 35 Ca -0.01 0.16 -0.05 0.00 -2.02 0.00 0.00 58.31 56.38 1nb5 n LYS 35 Cb 0.62 -1.51 -0.10 0.00 -0.02 0.00 0.00 35.03 34.02 1nb5 n LYS 35 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nb5 h THR 36 N -0.07 1.44 0.00 -0.18 1.03 -1.45 -3.48 112.91 110.21 1nb5 h THR 36 Ca -0.58 -3.11 0.00 0.00 -0.01 0.00 0.00 66.41 62.71 1nb5 h THR 36 Cb 1.87 2.71 0.00 0.00 -1.07 0.00 0.00 68.15 71.66 1nb5 h THR 36 CO -0.11 0.82 0.00 -3.20 -0.01 0.00 0.00 175.52 173.02 1nb5 n ASN 37 N -3.28 0.00 -4.72 0.00 5.15 -1.09 -5.00 115.26 106.31 1nb5 n ASN 37 Ca -0.02 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.66 1nb5 n ASN 37 Cb 0.92 -0.13 0.13 0.00 -0.53 0.00 0.00 39.78 40.17 1nb5 n ASN 37 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1nb5 s GLU 38 N 0.00 1.53 -0.53 1.20 2.02 -1.26 -5.02 118.70 116.64 1nb5 s GLU 38 Ca 0.00 1.11 0.04 0.00 0.02 0.00 0.00 54.97 56.14 1nb5 s GLU 38 Cb 0.00 -1.82 0.13 0.00 0.10 0.00 0.00 34.13 32.55 1nb5 s GLU 38 CO 0.00 -2.14 0.28 0.99 0.02 0.00 0.00 175.26 174.41 1nb5 s THR 39 N -2.84 2.65 0.44 3.63 2.01 -1.26 -4.74 115.64 115.52 1nb5 s THR 39 Ca 0.63 -3.37 -0.07 0.00 0.31 0.00 0.00 61.69 59.19 1nb5 s THR 39 Cb -0.19 -2.83 0.10 0.00 0.01 0.00 0.00 72.50 69.60 1nb5 s THR 39 CO 0.57 -0.81 0.56 -1.22 -0.69 0.00 0.00 174.62 173.02 1nb5 n TYR 40 N 3.05 -3.91 0.14 4.92 4.01 -1.26 -5.04 117.16 119.08 1nb5 n TYR 40 Ca 0.06 -0.49 0.00 0.00 -0.16 0.00 0.00 57.90 57.31 1nb5 n TYR 40 Cb 0.32 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 1nb5 n TYR 40 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nb5 n GLY 43 N 0.98 -1.24 2.80 2.72 0.00 -1.26 -5.00 105.19 104.20 1nb5 n GLY 43 Ca 0.07 0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 1nb5 n GLY 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nb5 n LYS 44 N -3.09 4.89 -2.34 1.61 4.81 -1.26 -4.96 118.16 117.83 1nb5 n LYS 44 Ca 0.00 -4.49 -0.35 0.00 -0.87 0.00 0.00 58.31 52.60 1nb5 n LYS 44 Cb 0.00 -2.52 -0.04 0.00 0.02 0.00 0.00 35.03 32.49 1nb5 n LYS 44 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1nb5 s LEU 45 N -3.32 3.35 -0.69 3.14 1.43 -1.26 -4.18 118.68 117.14 1nb5 s LEU 45 Ca 0.36 -1.06 -0.23 0.00 -1.03 0.00 0.00 54.13 52.17 1nb5 s LEU 45 Cb 0.12 -2.56 0.06 0.00 0.03 0.00 0.00 46.19 43.84 1nb5 s LEU 45 CO -0.02 -2.04 1.04 -0.70 0.23 0.00 0.00 176.35 174.86 1nb5 s GLU 46 N 5.88 3.15 0.20 1.70 2.12 -0.66 -4.86 118.70 126.24 1nb5 s GLU 46 Ca 0.56 -0.76 -0.32 0.00 0.36 0.00 0.00 54.97 54.81 1nb5 s GLU 46 Cb -0.03 -4.26 -0.12 0.00 0.26 0.00 0.00 34.13 29.97 1nb5 s GLU 46 CO -0.05 -1.89 1.73 0.00 -0.54 0.00 0.00 175.26 174.52 1nb5 n ALA 47 N 8.01 2.76 -2.88 6.30 0.00 -1.26 -1.76 120.51 131.67 1nb5 n ALA 47 Ca -0.01 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1nb5 n ALA 47 Cb 0.46 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.38 1nb5 n ALA 47 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1nb5 n VAL 48 N 4.03 0.00 -1.64 0.00 0.24 -0.91 -4.72 118.33 115.34 1nb5 n VAL 48 Ca 0.16 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.03 1nb5 n VAL 48 Cb 0.35 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.72 1nb5 n VAL 48 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1nb5 n GLN 49 N 0.00 1.63 -3.85 7.34 7.27 -1.26 -2.11 117.38 126.41 1nb5 n GLN 49 Ca 0.00 0.58 -0.09 0.00 0.07 0.00 0.00 57.00 57.55 1nb5 n GLN 49 Cb 0.00 -2.09 -0.07 0.00 2.41 0.00 0.00 30.24 30.49 1nb5 n GLN 49 CO 0.00 0.00 0.00 1.52 0.07 0.00 0.00 177.06 178.65 1nb5 s TYR 50 N -1.14 0.12 0.02 3.69 1.13 0.30 -0.74 117.35 120.73 1nb5 s TYR 50 Ca 0.59 -0.49 0.01 0.00 -1.41 0.00 0.00 57.07 55.76 1nb5 s TYR 50 Cb -0.61 -0.05 -0.02 0.00 -1.10 0.00 0.00 41.96 40.19 1nb5 s TYR 50 CO 0.60 -0.52 -0.04 0.15 -2.51 0.00 0.00 175.55 173.23 1nb5 s LYS 51 N -3.52 0.34 0.27 -3.49 1.02 -0.49 0.96 119.74 114.83 1nb5 s LYS 51 Ca 0.02 -0.50 0.08 0.00 0.02 0.00 0.00 55.97 55.60 1nb5 s LYS 51 Cb 0.03 -0.09 -0.04 0.00 -0.52 0.00 0.00 37.83 37.21 1nb5 s LYS 51 CO -0.09 0.01 0.09 0.99 -0.92 0.00 0.00 175.35 175.43 1nb5 s THR 52 N -1.02 3.80 -0.03 2.17 2.01 -1.26 -1.67 115.64 119.64 1nb5 s THR 52 Ca -0.09 -1.68 -0.04 0.00 0.31 0.00 0.00 61.69 60.18 1nb5 s THR 52 Cb -0.07 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.36 1nb5 s THR 52 CO -0.00 -0.34 0.11 -1.58 -0.69 0.00 0.00 174.62 172.12 1nb5 s GLN 53 N -3.76 0.20 -0.23 4.92 0.74 -1.13 0.84 119.66 121.24 1nb5 s GLN 53 Ca 0.33 0.03 -0.06 0.00 0.05 0.00 0.00 55.36 55.71 1nb5 s GLN 53 Cb -0.07 0.09 -0.02 0.00 1.10 0.00 0.00 33.01 34.11 1nb5 s GLN 53 CO 0.22 -0.03 0.02 0.08 -0.55 0.00 0.00 175.29 175.03 1nb5 s VAL 54 N -0.25 3.90 0.00 1.34 1.01 -1.26 -2.32 120.40 122.83 1nb5 s VAL 54 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1nb5 s VAL 54 Cb -0.02 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1nb5 s VAL 54 CO 0.00 0.38 0.00 1.33 0.00 0.00 0.00 175.10 176.81 1nb5 n VAL 55 N 4.82 0.00 -1.08 2.92 0.24 -1.26 -4.61 118.33 119.36 1nb5 n VAL 55 Ca -0.17 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.81 1nb5 n VAL 55 Cb 0.51 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.86 1nb5 n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nb5 n ALA 56 N -3.00 5.87 0.00 2.33 0.00 -1.26 -4.57 120.51 119.88 1nb5 n ALA 56 Ca 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 53.44 50.57 1nb5 n ALA 56 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 19.45 16.21 1nb5 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nb5 n GLY 57 N 3.77 0.48 3.44 0.00 0.00 -1.26 -4.28 105.19 107.34 1nb5 n GLY 57 Ca 0.60 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 1nb5 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nb5 s THR 58 N 0.00 -0.01 -0.80 2.61 2.01 0.01 -4.74 115.64 114.71 1nb5 s THR 58 Ca 0.00 0.04 -0.06 0.00 0.31 0.00 0.00 61.69 61.98 1nb5 s THR 58 Cb 0.00 -0.79 0.20 0.00 0.01 0.00 0.00 72.50 71.93 1nb5 s THR 58 CO 0.00 0.02 0.69 0.20 -0.69 0.00 0.00 174.62 174.83 1nb5 s ASN 59 N 1.31 6.03 0.08 3.53 0.01 -0.98 0.11 114.94 125.03 1nb5 s ASN 59 Ca -0.08 -3.14 -0.31 0.00 -0.71 0.00 0.00 52.86 48.62 1nb5 s ASN 59 Cb -0.06 -1.99 -0.06 0.00 0.41 0.00 0.00 41.25 39.54 1nb5 s ASN 59 CO -0.13 -0.35 1.23 -0.31 -1.51 0.00 0.00 177.10 176.02 1nb5 s TYR 60 N -0.51 3.41 -0.16 2.20 2.02 0.19 -2.83 117.35 121.66 1nb5 s TYR 60 Ca 0.22 1.25 0.01 0.00 -0.37 0.00 0.00 57.07 58.18 1nb5 s TYR 60 Cb -0.13 -3.46 0.01 0.00 -0.40 0.00 0.00 41.96 37.97 1nb5 s TYR 60 CO -0.08 -1.45 -0.17 0.71 -1.57 0.00 0.00 175.55 172.99 1nb5 s TYR 61 N 0.97 2.77 0.07 2.71 1.51 -0.67 -0.07 117.35 124.65 1nb5 s TYR 61 Ca 0.59 -1.25 0.06 0.00 -1.01 0.00 0.00 57.07 55.46 1nb5 s TYR 61 Cb -0.31 -1.90 -0.03 0.00 -0.11 0.00 0.00 41.96 39.61 1nb5 s TYR 61 CO 0.30 -0.59 -0.15 0.42 -1.11 0.00 0.00 175.55 174.41 1nb5 s ILE 62 N 0.99 1.21 -0.05 2.71 1.01 0.16 -1.40 121.20 125.83 1nb5 s ILE 62 Ca -0.02 -1.27 -0.10 0.00 0.00 0.00 0.00 60.65 59.26 1nb5 s ILE 62 Cb -0.15 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 1nb5 s ILE 62 CO -0.04 -0.14 0.27 -0.75 0.00 0.00 0.00 174.94 174.29 1nb5 s LYS 63 N -1.61 3.66 -0.02 2.79 2.20 0.08 -0.37 119.74 126.47 1nb5 s LYS 63 Ca 0.00 0.11 0.02 0.00 -0.36 0.00 0.00 55.97 55.74 1nb5 s LYS 63 Cb -0.09 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 1nb5 s LYS 63 CO 0.02 0.72 -0.06 0.08 -0.36 0.00 0.00 175.35 175.75 1nb5 s VAL 64 N -1.10 0.53 -0.37 4.02 1.01 0.10 -2.14 120.40 122.45 1nb5 s VAL 64 Ca 0.21 -0.23 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 1nb5 s VAL 64 Cb -0.14 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 35.77 1nb5 s VAL 64 CO 0.10 0.18 0.22 -0.60 0.00 0.00 0.00 175.10 174.99 1nb5 s ARG 65 N 0.20 2.95 0.00 2.72 3.00 -0.72 -1.57 118.95 125.53 1nb5 s ARG 65 Ca -0.02 -1.00 0.00 0.00 -1.00 0.00 0.00 55.73 53.71 1nb5 s ARG 65 Cb -0.07 -3.76 0.00 0.00 0.00 0.00 0.00 34.95 31.12 1nb5 s ARG 65 CO -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 175.30 174.64 1nb5 n ALA 66 N 5.03 0.00 -0.37 6.12 0.00 0.43 -1.65 120.51 130.08 1nb5 n ALA 66 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1nb5 n ALA 66 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1nb5 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nb5 n GLY 67 N 5.00 0.00 0.14 0.00 0.00 -1.26 -4.19 105.19 104.88 1nb5 n GLY 67 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1nb5 n GLY 67 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nb5 h ASP 68 N 0.00 -0.21 -0.32 1.61 5.19 -1.98 -3.44 116.42 117.27 1nb5 h ASP 68 Ca 0.00 -0.17 0.11 0.00 -0.62 0.00 0.00 57.03 56.35 1nb5 h ASP 68 Cb 0.00 0.05 -0.18 0.00 0.18 0.00 0.00 39.33 39.39 1nb5 h ASP 68 CO 0.00 0.05 -0.15 0.21 -3.12 0.00 0.00 179.24 176.23 1nb5 s ASN 92 N -5.17 -0.50 -0.01 6.45 3.84 -1.26 -5.16 114.94 113.12 1nb5 s ASN 92 Ca -0.15 -0.23 0.04 0.00 0.21 0.00 0.00 52.86 52.73 1nb5 s ASN 92 Cb 0.03 0.69 -0.01 0.00 -0.55 0.00 0.00 41.25 41.41 1nb5 s ASN 92 CO 0.62 -0.06 -0.13 -0.75 -2.79 0.00 0.00 177.10 173.99 1nb5 s LYS 93 N 2.02 1.09 -0.28 0.43 2.20 -1.26 -4.96 119.74 118.97 1nb5 s LYS 93 Ca 0.15 -0.47 -0.00 0.00 -0.36 0.00 0.00 55.97 55.30 1nb5 s LYS 93 Cb 0.02 -1.04 0.09 0.00 -1.51 0.00 0.00 37.83 35.38 1nb5 s LYS 93 CO -0.14 0.27 0.06 0.71 -0.36 0.00 0.00 175.35 175.89 1nb5 s TYR 94 N -0.26 1.93 0.21 4.03 2.02 -1.25 -0.42 117.35 123.60 1nb5 s TYR 94 Ca 0.04 -1.74 0.05 0.00 -0.37 0.00 0.00 57.07 55.05 1nb5 s TYR 94 Cb -0.06 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.75 1nb5 s TYR 94 CO -0.00 -0.83 0.26 1.41 -1.57 0.00 0.00 175.55 174.81 1nb5 s MET 95 N 1.54 3.20 -0.29 -0.62 1.75 -0.61 0.21 119.30 124.49 1nb5 s MET 95 Ca 0.06 -0.83 0.02 0.00 -1.25 0.00 0.00 55.69 53.69 1nb5 s MET 95 Cb -0.18 -2.77 0.08 0.00 2.84 0.00 0.00 34.83 34.81 1nb5 s MET 95 CO -0.18 0.45 -0.00 -1.01 -0.65 0.00 0.00 175.02 173.63 1nb5 s HIS 96 N -1.93 2.88 -0.12 4.11 3.76 -0.11 0.02 115.29 123.90 1nb5 s HIS 96 Ca 0.33 -2.27 -0.14 0.00 -0.15 0.00 0.00 55.06 52.83 1nb5 s HIS 96 Cb -0.09 -2.12 -0.05 0.00 1.11 0.00 0.00 32.58 31.43 1nb5 s HIS 96 CO 0.27 -0.87 0.33 -0.51 -0.85 0.00 0.00 174.74 173.11 1nb5 s LEU 97 N 1.22 4.30 -0.55 0.89 1.02 0.50 -1.47 118.68 124.59 1nb5 s LEU 97 Ca 0.02 0.63 -0.03 0.00 0.02 0.00 0.00 54.13 54.77 1nb5 s LEU 97 Cb -0.19 -2.44 0.14 0.00 0.02 0.00 0.00 46.19 43.73 1nb5 s LEU 97 CO -0.10 0.15 0.36 -0.75 0.02 0.00 0.00 176.35 176.03 1nb5 s LYS 98 N 0.10 2.38 -0.16 1.70 2.20 -0.32 0.36 119.74 125.99 1nb5 s LYS 98 Ca 0.19 -2.29 -0.16 0.00 -0.36 0.00 0.00 55.97 53.36 1nb5 s LYS 98 Cb -0.14 -3.69 -0.04 0.00 -1.51 0.00 0.00 37.83 32.45 1nb5 s LYS 98 CO 0.07 -1.14 0.38 0.08 -0.36 0.00 0.00 175.35 174.38 1nb5 s VAL 99 N 0.35 5.23 0.17 4.02 1.01 0.91 -0.38 120.40 131.72 1nb5 s VAL 99 Ca 0.14 0.72 -0.05 0.00 0.00 0.00 0.00 61.98 62.79 1nb5 s VAL 99 Cb -0.21 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 1nb5 s VAL 99 CO -0.04 0.32 0.41 0.12 0.00 0.00 0.00 175.10 175.91 1nb5 s PHE 100 N 0.83 3.47 -0.04 5.22 2.19 0.36 -0.64 117.98 129.37 1nb5 s PHE 100 Ca 0.20 0.56 0.01 0.00 0.33 0.00 0.00 56.93 58.03 1nb5 s PHE 100 Cb -0.14 -2.02 0.02 0.00 -1.31 0.00 0.00 43.02 39.57 1nb5 s PHE 100 CO 0.07 0.39 -0.04 0.21 1.83 0.00 0.00 175.22 177.68 1nb5 s LYS 101 N -2.85 0.78 0.50 10.12 2.36 0.30 -2.28 119.74 128.67 1nb5 s LYS 101 Ca 0.42 -0.08 -0.11 0.00 -2.55 0.00 0.00 55.97 53.64 1nb5 s LYS 101 Cb -0.12 -0.81 -0.06 0.00 -1.05 0.00 0.00 37.83 35.79 1nb5 s LYS 101 CO 0.25 -0.09 0.90 -1.12 1.55 0.00 0.00 175.35 176.84 1nb5 s SER 102 N 0.95 6.43 0.46 1.43 0.01 -1.26 -0.81 113.70 120.90 1nb5 s SER 102 Ca -0.11 1.29 -0.22 0.00 1.31 0.00 0.00 55.95 58.22 1nb5 s SER 102 Cb -0.14 -2.40 -0.08 0.00 0.21 0.00 0.00 66.02 63.61 1nb5 s SER 102 CO -0.00 -0.60 1.07 -0.76 0.41 0.00 0.00 173.24 173.36 1nb5 s LEU 102 N -4.42 3.97 0.60 2.44 1.43 -1.26 -4.76 118.68 116.69 1nb5 s LEU 102 Ca 0.54 2.06 0.28 0.00 -1.03 0.00 0.00 54.13 55.98 1nb5 s LEU 102 Cb -0.10 -4.37 1.39 0.00 0.03 0.00 0.00 46.19 43.14 1nb5 s LEU 102 CO 0.40 -0.75 1.80 -0.65 0.23 0.00 0.00 176.35 177.38 1nb5 h PRO 103 N 1.95 0.00 0.46 1.29 0.11 -1.98 0.14 132.00 133.97 1nb5 h PRO 103 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1nb5 h PRO 103 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1nb5 h PRO 103 CO 0.60 0.00 -0.22 0.78 -0.21 0.00 0.00 178.00 178.95 1nb5 h GLY 104 N 0.00 -0.65 1.03 -0.55 0.00 -2.02 -3.30 103.07 97.59 1nb5 h GLY 104 Ca 0.24 0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.73 1nb5 h GLY 104 CO -0.00 -0.24 0.03 1.46 0.00 0.00 0.00 176.54 177.79 1nb5 h GLN 105 N -0.76 0.95 -5.46 4.80 1.08 -1.56 -3.48 115.11 110.69 1nb5 h GLN 105 Ca -0.06 -0.29 -0.05 0.00 -1.45 0.00 0.00 58.65 56.80 1nb5 h GLN 105 Cb 0.47 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1nb5 h GLN 105 CO 0.10 0.95 -0.77 -1.71 -0.95 0.00 0.00 178.83 176.45 1nb5 n ASN 105 N -4.29 -7.63 -3.97 1.46 2.85 0.36 -5.02 115.26 99.04 1nb5 n ASN 105 Ca 0.02 0.73 -0.20 0.00 -0.11 0.00 0.00 54.58 55.02 1nb5 n ASN 105 Cb 0.31 -4.72 -0.16 0.00 1.24 0.00 0.00 39.78 36.46 1nb5 n ASN 105 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1nb5 s GLU 106 N -2.19 0.93 0.79 1.20 2.12 -1.26 -5.08 118.70 115.21 1nb5 s GLU 106 Ca 0.17 -0.24 -0.14 0.00 0.36 0.00 0.00 54.97 55.12 1nb5 s GLU 106 Cb -0.04 -0.87 0.05 0.00 0.26 0.00 0.00 34.13 33.53 1nb5 s GLU 106 CO 0.74 0.05 1.06 -3.47 -0.54 0.00 0.00 175.26 173.10 1nb5 n ASP 107 N 3.53 0.59 -4.61 -1.70 -0.08 -1.26 -3.99 116.55 109.03 1nb5 n ASP 107 Ca -0.20 0.59 -0.50 0.00 -1.51 0.00 0.00 54.79 53.16 1nb5 n ASP 107 Cb 0.53 -1.45 -0.06 0.00 2.34 0.00 0.00 41.12 42.49 1nb5 n ASP 107 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1nb5 n LEU 108 N -2.60 2.87 -4.59 -2.67 4.32 -1.26 -4.79 117.00 108.28 1nb5 n LEU 108 Ca 0.13 0.77 -0.34 0.00 -0.02 0.00 0.00 56.01 56.55 1nb5 n LEU 108 Cb 0.50 -1.31 -0.11 0.00 -1.62 0.00 0.00 43.42 40.88 1nb5 n LEU 108 CO 0.49 -0.36 -0.36 0.68 -1.22 0.00 0.00 177.39 176.61 1nb5 s VAL 109 N 5.28 3.85 -0.20 4.08 -7.23 -0.97 -4.89 120.40 120.31 1nb5 s VAL 109 Ca 0.99 -0.42 -0.29 0.00 -1.81 0.00 0.00 61.98 60.46 1nb5 s VAL 109 Cb -0.78 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 33.56 1nb5 s VAL 109 CO 0.52 0.58 1.03 -0.22 -0.31 0.00 0.00 175.10 176.71 1nb5 s LEU 110 N -0.62 4.14 0.00 1.32 2.96 -1.26 -0.49 118.68 124.72 1nb5 s LEU 110 Ca 0.10 1.42 0.12 0.00 -0.22 0.00 0.00 54.13 55.55 1nb5 s LEU 110 Cb -0.12 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 42.91 1nb5 s LEU 110 CO 0.02 -0.62 0.54 0.35 -1.32 0.00 0.00 176.35 175.33 1nb5 n THR 111 N 5.13 0.00 -3.60 3.68 -2.24 0.49 -4.92 114.28 112.82 1nb5 n THR 111 Ca 0.11 -0.23 -0.06 0.00 -2.27 0.00 0.00 64.05 61.60 1nb5 n THR 111 Cb 0.47 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.68 1nb5 n THR 111 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1nb5 s GLY 112 N -2.09 -0.16 -0.17 3.38 0.00 -1.10 -4.98 107.32 102.20 1nb5 s GLY 112 Ca 0.05 2.16 -0.17 0.00 0.00 0.00 0.00 44.72 46.76 1nb5 s GLY 112 CO 0.48 0.90 0.47 -2.52 0.00 0.00 0.00 173.10 172.43 1nb5 s TYR 113 N -1.50 -0.51 -0.03 1.90 -0.85 -1.26 -1.17 117.35 113.92 1nb5 s TYR 113 Ca 0.05 1.22 0.07 0.00 -0.52 0.00 0.00 57.07 57.88 1nb5 s TYR 113 Cb -0.01 0.18 -0.01 0.00 0.38 0.00 0.00 41.96 42.50 1nb5 s TYR 113 CO -0.04 -0.27 -0.24 -0.65 -1.52 0.00 0.00 175.55 172.83 1nb5 s GLN 114 N 0.11 2.15 0.10 -3.49 -0.21 -0.54 -4.98 119.66 112.80 1nb5 s GLN 114 Ca -0.01 -0.86 0.06 0.00 0.02 0.00 0.00 55.36 54.57 1nb5 s GLN 114 Cb -0.03 -1.96 -0.04 0.00 1.00 0.00 0.00 33.01 31.98 1nb5 s GLN 114 CO 0.01 0.45 -0.06 0.08 -2.12 0.00 0.00 175.29 173.65 1nb5 s VAL 115 N -0.38 3.64 -0.52 1.09 1.01 -1.26 -0.93 120.40 123.06 1nb5 s VAL 115 Ca 0.04 -1.15 -0.06 0.00 0.00 0.00 0.00 61.98 60.81 1nb5 s VAL 115 Cb -0.11 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.56 1nb5 s VAL 115 CO 0.01 0.11 0.56 -0.67 0.00 0.00 0.00 175.10 175.11 1nb5 n ASP 115 N 0.64 -6.97 -4.41 3.32 4.64 -1.09 -5.00 116.55 107.69 1nb5 n ASP 115 Ca -0.12 0.15 -0.22 0.00 -1.38 0.00 0.00 54.79 53.22 1nb5 n ASP 115 Cb 0.52 -4.69 -0.10 0.00 -1.04 0.00 0.00 41.12 35.81 1nb5 n ASP 115 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1nb5 s LYS 116 N -2.74 1.50 0.27 -0.67 1.02 0.13 -4.97 119.74 114.29 1nb5 s LYS 116 Ca 0.09 -1.65 -0.07 0.00 0.02 0.00 0.00 55.97 54.36 1nb5 s LYS 116 Cb -0.02 -1.51 -0.06 0.00 -0.52 0.00 0.00 37.83 35.72 1nb5 s LYS 116 CO 0.64 0.28 0.56 -0.80 -0.92 0.00 0.00 175.35 175.11 1nb5 s ASN 117 N -3.28 6.52 0.45 2.83 -0.87 -1.26 -3.80 114.94 115.52 1nb5 s ASN 117 Ca 0.25 0.82 0.30 0.00 -1.57 0.00 0.00 52.86 52.66 1nb5 s ASN 117 Cb -0.04 -2.19 1.40 0.00 -0.02 0.00 0.00 41.25 40.41 1nb5 s ASN 117 CO 0.11 -0.16 1.66 0.50 -2.57 0.00 0.00 177.10 176.64 1nb5 h LYS 118 N 2.00 0.12 -1.02 -0.60 3.11 -1.97 0.19 116.57 118.40 1nb5 h LYS 118 Ca -0.47 -0.01 -0.52 0.00 -2.81 0.00 0.00 60.65 56.84 1nb5 h LYS 118 Cb 1.18 -0.03 -0.28 0.00 -1.00 0.00 0.00 32.23 32.10 1nb5 h LYS 118 CO 0.67 0.08 0.67 -0.25 -2.81 0.00 0.00 179.45 177.81 1nb5 n ASP 119 N -4.59 4.86 -4.84 4.20 8.00 -1.26 -4.97 116.55 117.95 1nb5 n ASP 119 Ca 0.35 -3.54 -0.34 0.00 0.71 0.00 0.00 54.79 51.97 1nb5 n ASP 119 Cb 1.37 -0.87 -0.06 0.00 -0.02 0.00 0.00 41.12 41.54 1nb5 n ASP 119 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1nb5 s ASP 120 N -1.24 6.84 -0.26 -2.24 2.15 0.67 -5.04 116.67 117.54 1nb5 s ASP 120 Ca 0.55 1.21 -0.21 0.00 0.43 0.00 0.00 52.55 54.52 1nb5 s ASP 120 Cb 0.45 -2.34 -0.01 0.00 -0.30 0.00 0.00 42.92 40.72 1nb5 s ASP 120 CO 0.07 -0.05 0.67 -0.70 -0.17 0.00 0.00 175.17 175.00 1nb5 s GLU 121 N -2.44 4.08 -0.29 4.34 2.56 -1.26 -4.98 118.70 120.71 1nb5 s GLU 121 Ca 0.46 0.58 -0.28 0.00 0.00 0.00 0.00 54.97 55.73 1nb5 s GLU 121 Cb -0.13 -3.67 -0.03 0.00 2.00 0.00 0.00 34.13 32.30 1nb5 s GLU 121 CO 0.19 -0.47 1.98 -0.51 -0.56 0.00 0.00 175.26 175.89 1nb5 s LEU 122 N 2.61 3.47 0.00 2.70 1.43 -1.26 -4.94 118.68 122.69 1nb5 s LEU 122 Ca 0.28 1.53 0.05 0.00 -1.03 0.00 0.00 54.13 54.96 1nb5 s LEU 122 Cb -0.15 -3.48 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 1nb5 s LEU 122 CO 0.09 -1.84 -0.17 0.42 0.23 0.00 0.00 176.35 175.08 1nb5 s THR 123 N 7.59 1.32 -0.42 5.49 -4.23 -1.26 -5.00 115.64 119.14 1nb5 s THR 123 Ca 0.88 -0.80 -0.27 0.00 -1.18 0.00 0.00 61.69 60.33 1nb5 s THR 123 Cb -0.27 -1.12 -0.06 0.00 1.34 0.00 0.00 72.50 72.40 1nb5 s THR 123 CO 0.34 0.30 2.27 -0.83 -0.54 0.00 0.00 174.62 176.16 1nb5 s GLY 124 N -0.58 -0.05 0.00 3.99 0.00 -1.26 -5.12 107.32 104.30 1nb5 s GLY 124 Ca 0.06 0.18 0.20 0.00 0.00 0.00 0.00 44.72 45.15 1nb5 s GLY 124 CO -0.00 3.93 1.12 1.97 0.00 0.00 0.00 173.10 180.12