#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 0.40 0.50 2.02 -1.09 -1.26 -5.05 121.20 116.72 1nb5 s ILE 7 Ca 0.00 -1.47 -0.21 0.00 -2.23 0.00 0.00 60.65 56.74 1nb5 s ILE 7 Cb 0.00 -1.07 -0.07 0.00 -1.58 0.00 0.00 42.46 39.75 1nb5 s ILE 7 CO 0.00 -0.71 1.13 -2.84 -1.23 0.00 0.00 174.94 171.29 1nb5 s PRO 8 N -2.79 3.59 0.00 2.79 0.02 -1.26 -1.30 135.00 136.05 1nb5 s PRO 8 Ca -0.01 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.65 1nb5 s PRO 8 Cb -0.01 -2.19 0.00 0.00 0.02 0.00 0.00 34.50 32.32 1nb5 s PRO 8 CO -0.04 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.38 1nb5 n GLY 9 N 0.23 0.41 0.00 0.52 0.00 -1.26 -4.97 105.19 100.13 1nb5 n GLY 9 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1nb5 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nb5 n GLY 10 N -1.66 -0.18 3.10 -0.02 0.00 -0.42 -4.84 105.19 101.17 1nb5 n GLY 10 Ca 0.00 -1.54 -0.25 0.00 0.00 0.00 0.00 46.02 44.23 1nb5 n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nb5 s LEU 11 N 0.00 1.87 1.08 0.99 1.43 -1.26 -4.35 118.68 118.45 1nb5 s LEU 11 Ca 0.00 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.67 1nb5 s LEU 11 Cb 0.00 -0.86 0.24 0.00 0.03 0.00 0.00 46.19 45.60 1nb5 s LEU 11 CO 0.00 0.13 1.06 -0.94 0.23 0.00 0.00 176.35 176.82 1nb5 s SER 12 N 0.10 1.76 1.07 2.29 1.04 -0.59 -4.90 113.70 114.48 1nb5 s SER 12 Ca -0.04 1.43 -0.12 0.00 0.48 0.00 0.00 55.95 57.69 1nb5 s SER 12 Cb -0.11 -2.15 0.23 0.00 0.10 0.00 0.00 66.02 64.09 1nb5 s SER 12 CO 0.02 -3.70 1.06 -0.70 0.98 0.00 0.00 173.24 170.90 1nb5 s GLU 13 N -4.67 -0.20 -0.18 4.02 2.56 -1.26 -4.60 118.70 114.37 1nb5 s GLU 13 Ca 0.67 0.80 -0.28 0.00 0.00 0.00 0.00 54.97 56.15 1nb5 s GLU 13 Cb -0.22 -1.64 -0.00 0.00 2.00 0.00 0.00 34.13 34.27 1nb5 s GLU 13 CO 0.61 -3.23 0.99 0.00 -0.56 0.00 0.00 175.26 173.08 1nb5 s ALA 14 N -2.67 3.58 0.05 6.30 0.00 -1.26 -4.69 121.76 123.07 1nb5 s ALA 14 Ca 0.67 0.20 0.07 0.00 0.00 0.00 0.00 51.96 52.90 1nb5 s ALA 14 Cb -0.22 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 1nb5 s ALA 14 CO 0.61 -0.86 -0.16 0.15 0.00 0.00 0.00 175.76 175.51 1nb5 s LYS 15 N 2.68 2.11 1.12 0.00 3.01 -0.61 -4.93 119.74 123.12 1nb5 s LYS 15 Ca 0.44 -0.97 -0.13 0.00 -1.01 0.00 0.00 55.97 54.30 1nb5 s LYS 15 Cb -0.16 -2.23 0.22 0.00 -1.01 0.00 0.00 37.83 34.65 1nb5 s LYS 15 CO 0.11 0.54 0.82 -2.30 0.51 0.00 0.00 175.35 175.03 1nb5 n PRO 16 N 1.39 -1.90 -2.34 -1.68 -0.02 -1.26 -1.30 135.00 127.89 1nb5 n PRO 16 Ca -0.16 -0.52 -0.33 0.00 -2.02 0.00 0.00 63.50 60.47 1nb5 n PRO 16 Cb 0.52 -2.10 -0.02 0.00 -0.02 0.00 0.00 33.50 31.88 1nb5 n PRO 16 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nb5 s ALA 17 N -2.41 2.89 0.36 3.55 0.00 -1.06 -4.56 121.76 120.52 1nb5 s ALA 17 Ca 0.65 0.39 0.07 0.00 0.00 0.00 0.00 51.96 53.07 1nb5 s ALA 17 Cb -0.22 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.62 1nb5 s ALA 17 CO 0.64 -0.45 -0.01 0.95 0.00 0.00 0.00 175.76 176.90 1nb5 s THR 18 N -2.35 1.81 0.55 0.00 -4.23 -1.26 -4.96 115.64 105.19 1nb5 s THR 18 Ca 0.63 -2.06 0.42 0.00 -1.18 0.00 0.00 61.69 59.50 1nb5 s THR 18 Cb -0.14 -2.81 0.42 0.00 1.34 0.00 0.00 72.50 71.31 1nb5 s THR 18 CO 0.29 -0.08 2.27 -0.65 -0.54 0.00 0.00 174.62 175.91 1nb5 h PRO 19 N 1.97 0.00 0.07 3.99 0.11 -1.99 -0.79 132.00 135.37 1nb5 h PRO 19 Ca -0.42 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.40 1nb5 h PRO 19 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1nb5 h PRO 19 CO 0.74 0.00 -1.45 1.49 -0.21 0.00 0.00 178.00 178.58 1nb5 h GLU 20 N 0.00 0.15 0.62 1.05 4.81 -1.98 -2.52 114.58 116.70 1nb5 h GLU 20 Ca 0.00 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 58.94 1nb5 h GLU 20 Cb 0.01 0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.49 1nb5 h GLU 20 CO 0.00 0.98 -0.30 0.82 -0.73 0.00 0.00 179.01 179.79 1nb5 h ILE 21 N 0.04 0.35 -0.62 2.32 1.08 -1.58 -0.77 117.51 118.34 1nb5 h ILE 21 Ca -0.20 -0.16 0.13 0.00 -0.39 0.00 0.00 64.86 64.24 1nb5 h ILE 21 Cb 1.96 0.41 -0.04 0.00 -3.07 0.00 0.00 36.82 36.08 1nb5 h ILE 21 CO 0.14 0.02 0.42 -0.61 -0.69 0.00 0.00 178.15 177.43 1nb5 h GLN 22 N -0.94 0.29 0.26 2.37 5.75 -1.42 0.48 115.11 121.90 1nb5 h GLN 22 Ca -0.08 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 1nb5 h GLN 22 Cb 0.67 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.16 1nb5 h GLN 22 CO 0.14 0.19 -0.12 1.49 -2.65 0.00 0.00 178.83 177.88 1nb5 h GLU 23 N 0.30 -0.33 -0.55 1.69 4.22 -0.98 -1.12 114.58 117.81 1nb5 h GLU 23 Ca 0.29 0.02 0.11 0.00 0.08 0.00 0.00 59.36 59.86 1nb5 h GLU 23 Cb 0.74 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.98 1nb5 h GLU 23 CO -0.07 -0.13 0.05 0.82 -2.18 0.00 0.00 179.01 177.49 1nb5 h ILE 24 N -0.47 0.61 -0.18 2.32 2.04 0.14 0.38 117.51 122.35 1nb5 h ILE 24 Ca -0.04 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1nb5 h ILE 24 Cb 0.35 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1nb5 h ILE 24 CO 0.06 0.03 0.11 0.58 0.00 0.00 0.00 178.15 178.93 1nb5 h VAL 25 N 0.17 1.03 -0.99 1.67 2.07 -1.02 -1.15 116.25 118.02 1nb5 h VAL 25 Ca 0.28 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.76 1nb5 h VAL 25 Cb 0.43 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1nb5 h VAL 25 CO -0.42 0.04 0.65 0.44 0.02 0.00 0.00 177.57 178.30 1nb5 h ASP 26 N 0.22 1.08 1.00 0.57 3.45 0.13 0.85 116.42 123.73 1nb5 h ASP 26 Ca 0.07 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.52 1nb5 h ASP 26 Cb -0.01 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 38.51 1nb5 h ASP 26 CO -0.03 0.74 0.00 1.17 -1.57 0.00 0.00 179.24 179.55 1nb5 n LYS 27 N -4.44 0.08 -0.00 3.56 4.81 0.12 -3.52 118.16 118.77 1nb5 n LYS 27 Ca 0.14 0.13 0.04 0.00 -0.87 0.00 0.00 58.31 57.74 1nb5 n LYS 27 Cb 0.10 -1.60 -0.05 0.00 0.02 0.00 0.00 35.03 33.49 1nb5 n LYS 27 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1nb5 n VAL 28 N -1.74 0.00 -0.31 3.15 3.14 -0.00 -4.66 118.33 117.91 1nb5 n VAL 28 Ca 0.06 -0.24 0.09 0.00 -2.96 0.00 0.00 64.34 61.29 1nb5 n VAL 28 Cb 0.32 0.60 0.26 0.00 -1.06 0.00 0.00 33.84 33.96 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 0.00 0.57 0.00 1.45 3.64 0.57 0.24 116.57 123.05 1nb5 h LYS 29 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1nb5 h LYS 29 Cb 0.29 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1nb5 h LYS 29 CO 0.00 0.38 0.00 -1.00 -2.27 0.00 0.00 179.45 176.56 1nb5 h PRO 30 N 0.59 0.00 0.00 1.90 0.13 -1.83 -2.31 132.00 130.48 1nb5 h PRO 30 Ca 0.50 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.49 1nb5 h PRO 30 Cb 0.78 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.89 1nb5 h PRO 30 CO -0.40 0.00 -0.66 0.37 -0.23 0.00 0.00 178.00 177.08 1nb5 h GLN 31 N 0.00 0.00 0.07 0.86 4.15 -0.82 -2.10 115.11 117.27 1nb5 h GLN 31 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1nb5 h GLN 31 Cb 0.51 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1nb5 h GLN 31 CO 0.00 0.66 -0.03 1.25 -1.93 0.00 0.00 178.83 178.78 1nb5 h LEU 32 N 0.00 -0.07 -1.77 -2.39 6.46 -1.27 -3.21 115.31 113.06 1nb5 h LEU 32 Ca -0.01 -0.52 0.08 0.00 -0.12 0.00 0.00 57.88 57.32 1nb5 h LEU 32 Cb 1.30 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 41.23 1nb5 h LEU 32 CO 0.09 0.52 0.31 -0.33 -0.62 0.00 0.00 178.44 178.41 1nb5 h GLU 33 N -0.71 0.27 0.00 1.25 5.08 -1.50 0.98 114.58 119.94 1nb5 h GLU 33 Ca -0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1nb5 h GLU 33 Cb 0.59 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1nb5 h GLU 33 CO 0.01 0.18 0.00 -0.85 -1.00 0.00 0.00 179.01 177.35 1nb5 n GLU 34 N -4.46 0.33 -0.00 2.33 0.28 -0.79 -2.31 120.64 116.01 1nb5 n GLU 34 Ca 0.07 0.09 0.02 0.00 -0.16 0.00 0.00 57.16 57.18 1nb5 n GLU 34 Cb 0.33 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.67 1nb5 n GLU 34 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1nb5 n LYS 35 N -1.25 4.94 -0.08 3.44 5.02 0.28 -5.00 118.16 125.51 1nb5 n LYS 35 Ca 0.10 -0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.31 1nb5 n LYS 35 Cb 0.14 -0.77 -0.02 0.00 -0.02 0.00 0.00 35.03 34.36 1nb5 n LYS 35 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1nb5 n THR 36 N -1.16 1.47 -3.08 -0.18 -2.24 -0.82 -4.97 114.28 103.30 1nb5 n THR 36 Ca 0.01 0.17 -0.36 0.00 -2.27 0.00 0.00 64.05 61.60 1nb5 n THR 36 Cb 0.08 -2.37 -0.02 0.00 -2.10 0.00 0.00 70.33 65.92 1nb5 n THR 36 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1nb5 n ASN 37 N -4.52 5.55 -4.77 3.42 2.04 -1.26 -5.13 115.26 110.59 1nb5 n ASN 37 Ca -0.11 -3.49 -0.34 0.00 -0.44 0.00 0.00 54.58 50.20 1nb5 n ASN 37 Cb 0.41 -1.00 0.03 0.00 -2.53 0.00 0.00 39.78 36.69 1nb5 n ASN 37 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 1nb5 s GLU 38 N -2.98 3.00 -0.35 -3.83 2.02 -1.26 -4.99 118.70 110.31 1nb5 s GLU 38 Ca 0.37 1.54 -0.01 0.00 0.02 0.00 0.00 54.97 56.88 1nb5 s GLU 38 Cb 0.12 -1.96 0.08 0.00 0.10 0.00 0.00 34.13 32.47 1nb5 s GLU 38 CO 0.02 -1.12 0.08 0.99 0.02 0.00 0.00 175.26 175.25 1nb5 s THR 39 N -2.03 2.92 0.50 3.63 2.01 -1.26 -4.56 115.64 116.85 1nb5 s THR 39 Ca 0.71 -1.83 -0.03 0.00 0.31 0.00 0.00 61.69 60.85 1nb5 s THR 39 Cb -0.23 -2.89 -0.01 0.00 0.01 0.00 0.00 72.50 69.38 1nb5 s THR 39 CO 0.35 -0.41 0.77 -0.31 -0.69 0.00 0.00 174.62 174.33 1nb5 s TYR 40 N 1.14 3.33 0.00 4.92 2.02 -1.26 -5.10 117.35 122.39 1nb5 s TYR 40 Ca 0.03 0.51 0.00 0.00 -0.37 0.00 0.00 57.07 57.24 1nb5 s TYR 40 Cb -0.21 -2.43 0.00 0.00 -0.40 0.00 0.00 41.96 38.92 1nb5 s TYR 40 CO -0.04 -0.47 0.00 0.41 -1.57 0.00 0.00 175.55 173.88 1nb5 n GLY 43 N -2.28 0.70 3.66 0.71 0.00 -1.26 -4.96 105.19 101.76 1nb5 n GLY 43 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1nb5 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nb5 s LYS 44 N 1.98 4.23 -0.61 1.61 1.02 -1.26 -4.97 119.74 121.74 1nb5 s LYS 44 Ca 0.00 1.58 -0.15 0.00 0.02 0.00 0.00 55.97 57.42 1nb5 s LYS 44 Cb 0.00 -3.74 0.15 0.00 -0.52 0.00 0.00 37.83 33.72 1nb5 s LYS 44 CO 0.00 -0.70 0.56 -0.51 -0.92 0.00 0.00 175.35 173.78 1nb5 s LEU 45 N 3.45 6.31 -0.44 3.17 1.43 -1.26 -4.39 118.68 126.96 1nb5 s LEU 45 Ca 0.52 -2.03 -0.21 0.00 -1.03 0.00 0.00 54.13 51.38 1nb5 s LEU 45 Cb -0.20 -2.20 0.03 0.00 0.03 0.00 0.00 46.19 43.84 1nb5 s LEU 45 CO 0.13 -0.78 0.64 -0.70 0.23 0.00 0.00 176.35 175.87 1nb5 s GLU 46 N 1.21 3.27 0.12 1.70 2.12 -0.60 -4.85 118.70 121.67 1nb5 s GLU 46 Ca 0.07 -0.39 -0.34 0.00 0.36 0.00 0.00 54.97 54.67 1nb5 s GLU 46 Cb -0.25 -3.96 -0.13 0.00 0.26 0.00 0.00 34.13 30.06 1nb5 s GLU 46 CO -0.00 -1.02 1.67 0.00 -0.54 0.00 0.00 175.26 175.37 1nb5 n ALA 47 N 6.26 1.48 -0.04 6.30 0.00 -1.26 -0.61 120.51 132.64 1nb5 n ALA 47 Ca -0.02 0.40 -0.05 0.00 0.00 0.00 0.00 53.44 53.77 1nb5 n ALA 47 Cb 0.48 -2.42 -0.05 0.00 0.00 0.00 0.00 19.45 17.46 1nb5 n ALA 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1nb5 n VAL 48 N 3.90 0.54 -3.79 0.00 0.31 0.09 -4.70 118.33 114.68 1nb5 n VAL 48 Ca 0.18 -0.28 -0.04 0.00 -0.01 0.00 0.00 64.34 64.18 1nb5 n VAL 48 Cb 0.30 -0.82 -0.01 0.00 -0.91 0.00 0.00 33.84 32.40 1nb5 n VAL 48 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1nb5 s GLN 49 N -2.19 1.39 0.10 5.55 0.74 -1.19 -2.58 119.66 121.48 1nb5 s GLN 49 Ca -0.07 -0.78 -0.24 0.00 0.05 0.00 0.00 55.36 54.31 1nb5 s GLN 49 Cb 0.03 0.47 0.08 0.00 1.10 0.00 0.00 33.01 34.69 1nb5 s GLN 49 CO 0.28 -0.64 1.14 2.48 -0.55 0.00 0.00 175.29 178.00 1nb5 n TYR 50 N -0.48 -0.96 -3.71 1.67 4.11 -0.42 -1.01 117.16 116.36 1nb5 n TYR 50 Ca -0.05 -1.05 -0.11 0.00 -0.00 0.00 0.00 57.90 56.69 1nb5 n TYR 50 Cb 0.60 0.50 -0.06 0.00 -0.00 0.00 0.00 39.34 40.39 1nb5 n TYR 50 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1nb5 s LYS 51 N -2.04 0.95 0.33 -3.48 1.02 -0.02 -1.58 119.74 114.93 1nb5 s LYS 51 Ca 0.26 -0.69 0.08 0.00 0.02 0.00 0.00 55.97 55.65 1nb5 s LYS 51 Cb -0.02 0.41 -0.06 0.00 -0.52 0.00 0.00 37.83 37.64 1nb5 s LYS 51 CO 0.03 -0.34 -0.07 0.99 -0.92 0.00 0.00 175.35 175.03 1nb5 s THR 52 N -3.44 2.03 -0.26 2.17 2.01 -1.26 -1.71 115.64 115.17 1nb5 s THR 52 Ca 0.01 -2.16 -0.10 0.00 0.31 0.00 0.00 61.69 59.75 1nb5 s THR 52 Cb 0.02 -2.62 0.11 0.00 0.01 0.00 0.00 72.50 70.02 1nb5 s THR 52 CO -0.09 -0.21 0.57 -1.58 -0.69 0.00 0.00 174.62 172.62 1nb5 s GLN 53 N -3.66 0.51 0.03 4.92 0.74 -1.01 -1.54 119.66 119.64 1nb5 s GLN 53 Ca 0.32 1.28 -0.29 0.00 0.05 0.00 0.00 55.36 56.73 1nb5 s GLN 53 Cb 0.03 0.61 -0.04 0.00 1.10 0.00 0.00 33.01 34.71 1nb5 s GLN 53 CO 0.15 -0.21 0.92 0.08 -0.55 0.00 0.00 175.29 175.68 1nb5 s VAL 54 N 2.63 4.77 0.00 1.34 1.01 -1.26 -1.51 120.40 127.38 1nb5 s VAL 54 Ca -0.05 1.94 0.00 0.00 0.00 0.00 0.00 61.98 63.87 1nb5 s VAL 54 Cb -0.11 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.00 1nb5 s VAL 54 CO -0.17 0.24 0.00 1.33 0.00 0.00 0.00 175.10 176.50 1nb5 n VAL 55 N 3.44 0.00 -0.40 2.92 0.24 -1.26 -4.60 118.33 118.68 1nb5 n VAL 55 Ca 0.03 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.29 1nb5 n VAL 55 Cb 0.50 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.81 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 3.23 0.00 2.33 0.00 -1.26 -4.55 120.51 117.26 1nb5 n ALA 56 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1nb5 n ALA 56 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.31 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 2.59 -0.50 2.85 0.00 0.00 -1.26 -4.39 105.19 104.48 1nb5 n GLY 57 Ca 0.15 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.00 -0.28 0.10 2.61 2.01 -0.20 -4.63 115.64 111.25 1nb5 s THR 58 Ca 0.00 0.35 -0.11 0.00 0.31 0.00 0.00 61.69 62.24 1nb5 s THR 58 Cb 0.00 -0.31 -0.06 0.00 0.01 0.00 0.00 72.50 72.14 1nb5 s THR 58 CO 0.00 0.14 0.43 0.20 -0.69 0.00 0.00 174.62 174.71 1nb5 s ASN 59 N 2.31 6.67 -0.02 3.53 0.01 -0.57 0.06 114.94 126.93 1nb5 s ASN 59 Ca 0.03 0.85 0.06 0.00 -0.71 0.00 0.00 52.86 53.09 1nb5 s ASN 59 Cb -0.12 -2.20 -0.02 0.00 0.41 0.00 0.00 41.25 39.33 1nb5 s ASN 59 CO -0.06 0.15 -0.20 -0.31 -1.51 0.00 0.00 177.10 175.17 1nb5 s TYR 60 N -1.43 1.83 -0.30 2.20 2.02 0.30 -2.41 117.35 119.56 1nb5 s TYR 60 Ca 0.34 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.70 1nb5 s TYR 60 Cb -0.14 -1.18 0.09 0.00 -0.40 0.00 0.00 41.96 40.33 1nb5 s TYR 60 CO 0.18 -0.04 0.05 0.71 -1.57 0.00 0.00 175.55 174.89 1nb5 s TYR 61 N -0.46 2.43 -0.10 2.71 1.51 -0.70 -0.90 117.35 121.85 1nb5 s TYR 61 Ca 0.07 -2.09 -0.00 0.00 -1.01 0.00 0.00 57.07 54.04 1nb5 s TYR 61 Cb -0.08 -2.03 -0.02 0.00 -0.11 0.00 0.00 41.96 39.71 1nb5 s TYR 61 CO -0.01 -0.87 -0.09 0.42 -1.11 0.00 0.00 175.55 173.90 1nb5 s ILE 62 N 1.37 3.51 -0.60 2.71 1.01 -0.53 -0.84 121.20 127.83 1nb5 s ILE 62 Ca 0.07 -0.52 -0.19 0.00 0.00 0.00 0.00 60.65 60.00 1nb5 s ILE 62 Cb -0.18 -2.47 0.10 0.00 0.01 0.00 0.00 42.46 39.93 1nb5 s ILE 62 CO -0.16 0.55 0.73 -0.75 0.00 0.00 0.00 174.94 175.32 1nb5 s LYS 63 N -0.21 3.06 -0.14 2.79 2.20 -0.18 -1.24 119.74 126.02 1nb5 s LYS 63 Ca 0.02 -1.29 -0.11 0.00 -0.36 0.00 0.00 55.97 54.24 1nb5 s LYS 63 Cb -0.13 -4.27 -0.05 0.00 -1.51 0.00 0.00 37.83 31.87 1nb5 s LYS 63 CO 0.03 -1.57 0.22 0.08 -0.36 0.00 0.00 175.35 173.75 1nb5 s VAL 64 N 2.81 5.36 -0.27 4.02 1.01 0.18 -0.73 120.40 132.78 1nb5 s VAL 64 Ca 0.13 0.40 -0.12 0.00 0.00 0.00 0.00 61.98 62.38 1nb5 s VAL 64 Cb -0.23 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1nb5 s VAL 64 CO 0.06 0.50 0.23 -0.60 0.00 0.00 0.00 175.10 175.29 1nb5 s ARG 65 N -0.22 3.99 0.00 2.72 3.52 0.22 0.02 118.95 129.20 1nb5 s ARG 65 Ca 0.15 -0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.53 1nb5 s ARG 65 Cb -0.13 -3.64 0.00 0.00 -1.56 0.00 0.00 34.95 29.62 1nb5 s ARG 65 CO 0.04 -0.17 0.00 0.00 -0.81 0.00 0.00 175.30 174.36 1nb5 n ALA 66 N 5.01 0.00 0.00 6.12 0.00 0.11 -1.56 120.51 130.19 1nb5 n ALA 66 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1nb5 n ALA 66 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 0.38 0.00 0.00 -1.26 -4.09 105.19 105.22 1nb5 n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nb5 n GLY 67 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nb5 n ASP 68 N 0.00 0.00 -1.57 1.61 5.68 -1.26 -4.89 116.55 116.13 1nb5 n ASP 68 Ca 0.00 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.14 1nb5 n ASP 68 Cb 0.00 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.08 1nb5 n ASP 68 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1nb5 n ASN 92 N -1.41 3.97 -4.36 -1.12 5.03 -1.26 -4.98 115.26 111.13 1nb5 n ASN 92 Ca 0.00 -3.80 -0.38 0.00 0.87 0.00 0.00 54.58 51.27 1nb5 n ASN 92 Cb 0.00 -0.47 -0.12 0.00 -1.02 0.00 0.00 39.78 38.17 1nb5 n ASN 92 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1nb5 s LYS 93 N -3.48 3.06 0.36 3.52 2.20 -1.26 -4.86 119.74 119.28 1nb5 s LYS 93 Ca 0.48 -0.89 0.07 0.00 -0.36 0.00 0.00 55.97 55.27 1nb5 s LYS 93 Cb 0.41 -3.47 -0.00 0.00 -1.51 0.00 0.00 37.83 33.25 1nb5 s LYS 93 CO 0.00 -0.50 0.49 0.71 -0.36 0.00 0.00 175.35 175.70 1nb5 s TYR 94 N 1.52 3.02 -0.19 4.03 2.02 -1.05 0.06 117.35 126.75 1nb5 s TYR 94 Ca 0.02 -0.28 -0.17 0.00 -0.37 0.00 0.00 57.07 56.28 1nb5 s TYR 94 Cb -0.18 -2.10 0.05 0.00 -0.40 0.00 0.00 41.96 39.34 1nb5 s TYR 94 CO 0.04 -0.12 0.51 1.41 -1.57 0.00 0.00 175.55 175.82 1nb5 s MET 95 N -4.22 0.59 -0.28 -0.62 1.75 0.10 -2.81 119.30 113.81 1nb5 s MET 95 Ca 0.48 0.74 -0.07 0.00 -1.25 0.00 0.00 55.69 55.59 1nb5 s MET 95 Cb -0.09 0.26 -0.00 0.00 2.84 0.00 0.00 34.83 37.83 1nb5 s MET 95 CO 0.31 -0.08 0.08 -1.01 -0.65 0.00 0.00 175.02 173.67 1nb5 s HIS 96 N 0.42 3.12 0.19 4.11 3.76 -0.69 0.52 115.29 126.72 1nb5 s HIS 96 Ca -0.01 -0.78 0.05 0.00 -0.15 0.00 0.00 55.06 54.17 1nb5 s HIS 96 Cb -0.04 -2.25 -0.04 0.00 1.11 0.00 0.00 32.58 31.36 1nb5 s HIS 96 CO -0.01 -0.50 0.19 -0.51 -0.85 0.00 0.00 174.74 173.05 1nb5 s LEU 97 N 1.54 3.93 -0.15 0.89 2.01 -0.37 -0.54 118.68 126.00 1nb5 s LEU 97 Ca 0.04 -0.09 -0.01 0.00 0.01 0.00 0.00 54.13 54.08 1nb5 s LEU 97 Cb -0.16 -2.52 0.04 0.00 0.01 0.00 0.00 46.19 43.56 1nb5 s LEU 97 CO 0.03 0.03 -0.03 -0.75 1.01 0.00 0.00 176.35 176.64 1nb5 s LYS 98 N -3.35 1.19 0.08 1.70 2.20 -0.77 -1.45 119.74 119.34 1nb5 s LYS 98 Ca 0.32 -0.39 0.08 0.00 -0.36 0.00 0.00 55.97 55.63 1nb5 s LYS 98 Cb -0.10 -1.84 -0.04 0.00 -1.51 0.00 0.00 37.83 34.35 1nb5 s LYS 98 CO 0.25 -0.43 -0.20 0.08 -0.36 0.00 0.00 175.35 174.69 1nb5 s VAL 99 N 1.73 2.68 -0.11 4.02 1.01 -0.08 -0.09 120.40 129.55 1nb5 s VAL 99 Ca 0.01 -1.38 0.01 0.00 0.00 0.00 0.00 61.98 60.62 1nb5 s VAL 99 Cb -0.15 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1nb5 s VAL 99 CO -0.07 0.23 -0.14 0.12 0.00 0.00 0.00 175.10 175.24 1nb5 s PHE 100 N -1.00 2.77 -0.24 5.22 2.19 -0.06 0.11 117.98 126.97 1nb5 s PHE 100 Ca 0.15 -0.58 -0.01 0.00 0.33 0.00 0.00 56.93 56.82 1nb5 s PHE 100 Cb -0.10 -1.79 0.02 0.00 -1.31 0.00 0.00 43.02 39.84 1nb5 s PHE 100 CO 0.07 -0.15 -0.08 0.21 1.83 0.00 0.00 175.22 177.10 1nb5 s LYS 101 N 0.15 2.86 1.05 10.12 2.20 0.11 -1.92 119.74 134.30 1nb5 s LYS 101 Ca -0.07 -0.96 -0.14 0.00 -0.36 0.00 0.00 55.97 54.44 1nb5 s LYS 101 Cb -0.15 -2.94 0.14 0.00 -1.51 0.00 0.00 37.83 33.37 1nb5 s LYS 101 CO 0.05 -0.38 0.58 0.43 -0.36 0.00 0.00 175.35 175.68 1nb5 n SER 102 N 4.66 -1.62 -4.83 1.43 7.64 -1.26 -1.03 113.62 118.61 1nb5 n SER 102 Ca -0.17 0.10 -0.33 0.00 1.01 0.00 0.00 58.87 59.48 1nb5 n SER 102 Cb 0.47 -1.20 -0.07 0.00 -1.01 0.00 0.00 64.21 62.40 1nb5 n SER 102 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1nb5 s LEU 102 N -3.69 4.00 0.00 -3.43 1.43 -1.26 -4.73 118.68 111.00 1nb5 s LEU 102 Ca 0.61 1.54 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 1nb5 s LEU 102 Cb -0.20 -4.34 0.00 0.00 0.03 0.00 0.00 46.19 41.68 1nb5 s LEU 102 CO 0.65 -0.29 0.53 -2.65 0.23 0.00 0.00 176.35 174.82 1nb5 n PRO 103 N -0.49 0.00 -0.00 1.29 -0.02 -1.26 -1.46 135.00 133.06 1nb5 n PRO 103 Ca 0.05 0.13 0.07 0.00 -2.02 0.00 0.00 63.50 61.73 1nb5 n PRO 103 Cb 0.54 -1.56 -0.09 0.00 -0.02 0.00 0.00 33.50 32.36 1nb5 n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nb5 n GLY 104 N -1.03 -0.43 0.14 -1.23 0.00 -1.26 -4.64 105.19 96.72 1nb5 n GLY 104 Ca 0.00 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 1nb5 n GLY 104 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1nb5 h GLN 105 N 0.00 0.38 -1.41 1.61 7.50 -1.63 -3.49 115.11 118.06 1nb5 h GLN 105 Ca 0.00 -0.52 0.00 0.00 0.50 0.00 0.00 58.65 58.63 1nb5 h GLN 105 Cb 0.46 0.18 0.00 0.00 0.05 0.00 0.00 27.48 28.17 1nb5 h GLN 105 CO 0.00 1.20 0.00 -1.71 -1.50 0.00 0.00 178.83 176.82 1nb5 n ASN 105 N -3.66 -1.67 -4.09 1.46 5.15 -1.26 -5.07 115.26 106.13 1nb5 n ASN 105 Ca -0.09 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.79 1nb5 n ASN 105 Cb 0.95 -0.42 -0.09 0.00 -0.53 0.00 0.00 39.78 39.69 1nb5 n ASN 105 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1nb5 s GLU 106 N -3.47 1.05 0.17 1.20 2.12 -1.26 -5.18 118.70 113.33 1nb5 s GLU 106 Ca 0.00 -1.37 -0.01 0.00 0.36 0.00 0.00 54.97 53.95 1nb5 s GLU 106 Cb 0.00 0.30 0.04 0.00 0.26 0.00 0.00 34.13 34.72 1nb5 s GLU 106 CO 0.00 -0.34 0.23 -0.40 -0.54 0.00 0.00 175.26 174.21 1nb5 n ASP 107 N -0.16 0.20 -4.69 -1.70 5.75 -1.26 -4.60 116.55 110.09 1nb5 n ASP 107 Ca -0.05 -1.20 -0.42 0.00 -0.01 0.00 0.00 54.79 53.11 1nb5 n ASP 107 Cb 0.64 -0.16 -0.03 0.00 -1.03 0.00 0.00 41.12 40.54 1nb5 n ASP 107 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1nb5 s LEU 108 N 0.00 4.30 -0.14 -2.12 1.02 -1.26 -4.50 118.68 115.98 1nb5 s LEU 108 Ca 0.14 1.95 -0.02 0.00 0.02 0.00 0.00 54.13 56.23 1nb5 s LEU 108 Cb -0.01 -3.56 -0.02 0.00 0.02 0.00 0.00 46.19 42.62 1nb5 s LEU 108 CO 0.10 -0.64 -0.09 -0.69 0.02 0.00 0.00 176.35 175.04 1nb5 s VAL 109 N 2.27 3.40 -0.04 -1.59 1.01 -0.81 -4.90 120.40 119.75 1nb5 s VAL 109 Ca 0.59 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 1nb5 s VAL 109 Cb -0.28 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1nb5 s VAL 109 CO 0.24 0.51 1.17 -0.22 0.00 0.00 0.00 175.10 176.81 1nb5 s LEU 110 N 0.34 4.29 0.00 3.92 2.96 -1.26 -0.88 118.68 128.05 1nb5 s LEU 110 Ca -0.08 1.81 0.00 0.00 -0.22 0.00 0.00 54.13 55.64 1nb5 s LEU 110 Cb -0.15 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1nb5 s LEU 110 CO 0.05 -0.54 0.33 0.35 -1.32 0.00 0.00 176.35 175.22 1nb5 n THR 111 N 4.47 0.00 -3.61 3.68 -2.24 0.88 -4.97 114.28 112.49 1nb5 n THR 111 Ca 0.10 -0.49 -0.03 0.00 -2.27 0.00 0.00 64.05 61.36 1nb5 n THR 111 Cb 0.47 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.33 -0.32 -0.10 3.38 0.00 -1.15 -4.96 107.32 103.84 1nb5 s GLY 112 Ca 0.00 1.39 -0.30 0.00 0.00 0.00 0.00 44.72 45.82 1nb5 s GLY 112 CO 0.00 0.43 0.71 -2.52 0.00 0.00 0.00 173.10 171.73 1nb5 s TYR 113 N -2.37 -0.67 -0.18 1.90 -0.85 -1.26 -1.85 117.35 112.06 1nb5 s TYR 113 Ca 0.11 1.26 -0.00 0.00 -0.52 0.00 0.00 57.07 57.92 1nb5 s TYR 113 Cb 0.01 0.38 0.05 0.00 0.38 0.00 0.00 41.96 42.78 1nb5 s TYR 113 CO -0.04 -0.54 -0.04 -0.65 -1.52 0.00 0.00 175.55 172.75 1nb5 s GLN 114 N -0.85 1.39 0.69 -3.49 -0.21 0.30 -4.98 119.66 112.51 1nb5 s GLN 114 Ca -0.08 -0.60 -0.05 0.00 0.02 0.00 0.00 55.36 54.64 1nb5 s GLN 114 Cb -0.01 -2.14 0.07 0.00 1.00 0.00 0.00 33.01 31.93 1nb5 s GLN 114 CO 0.07 -0.49 0.99 0.08 -2.12 0.00 0.00 175.29 173.83 1nb5 s VAL 115 N 1.61 2.31 -1.43 1.09 1.01 -1.26 -1.71 120.40 122.03 1nb5 s VAL 115 Ca -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1nb5 s VAL 115 Cb -0.16 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.26 1nb5 s VAL 115 CO -0.07 0.00 0.50 0.47 0.00 0.00 0.00 175.10 176.00 1nb5 n ASP 115 N -2.86 -0.84 -4.60 3.32 9.92 -1.25 -4.96 116.55 115.28 1nb5 n ASP 115 Ca 0.09 -0.98 -0.34 0.00 -0.53 0.00 0.00 54.79 53.03 1nb5 n ASP 115 Cb 0.60 -3.17 -0.10 0.00 -0.64 0.00 0.00 41.12 37.80 1nb5 n ASP 115 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1nb5 s LYS 116 N -6.52 3.65 1.18 -1.24 1.02 -1.13 -4.98 119.74 111.72 1nb5 s LYS 116 Ca 0.09 -0.41 -0.20 0.00 0.02 0.00 0.00 55.97 55.48 1nb5 s LYS 116 Cb -0.05 -3.02 0.30 0.00 -0.52 0.00 0.00 37.83 34.55 1nb5 s LYS 116 CO 0.88 0.37 0.77 0.09 -0.92 0.00 0.00 175.35 176.55 1nb5 n ASN 117 N 3.18 -3.37 -0.05 2.83 4.13 -1.26 -2.52 115.26 118.20 1nb5 n ASN 117 Ca -0.17 -0.82 -0.13 0.00 1.68 0.00 0.00 54.58 55.14 1nb5 n ASN 117 Cb 0.53 -0.83 -0.11 0.00 -1.54 0.00 0.00 39.78 37.82 1nb5 n ASN 117 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1nb5 h LYS 118 N 0.00 -0.01 -0.64 3.52 3.64 -1.97 -3.35 116.57 117.76 1nb5 h LYS 118 Ca -0.33 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.01 1nb5 h LYS 118 Cb 1.10 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 1nb5 h LYS 118 CO 0.20 0.80 0.24 0.22 -2.27 0.00 0.00 179.45 178.65 1nb5 h ASP 119 N -0.90 0.86 -0.07 4.20 3.58 -2.03 -3.46 116.42 118.60 1nb5 h ASP 119 Ca -0.00 -0.12 -0.14 0.00 0.42 0.00 0.00 57.03 57.19 1nb5 h ASP 119 Cb 0.82 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.64 1nb5 h ASP 119 CO 0.00 0.78 0.18 0.47 -2.88 0.00 0.00 179.24 177.80 1nb5 n ASP 120 N -4.30 0.16 -4.68 2.28 9.92 -1.26 -4.78 116.55 113.90 1nb5 n ASP 120 Ca 0.05 0.15 -0.42 0.00 -0.53 0.00 0.00 54.79 54.05 1nb5 n ASP 120 Cb 0.18 -0.15 -0.03 0.00 -0.64 0.00 0.00 41.12 40.48 1nb5 n ASP 120 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1nb5 s GLU 121 N 0.82 4.16 -0.15 -1.24 2.56 -1.26 -4.94 118.70 118.66 1nb5 s GLU 121 Ca 0.20 2.46 -0.29 0.00 0.00 0.00 0.00 54.97 57.34 1nb5 s GLU 121 Cb -0.26 -3.82 -0.03 0.00 2.00 0.00 0.00 34.13 32.01 1nb5 s GLU 121 CO 0.13 -0.85 1.55 -0.51 -0.56 0.00 0.00 175.26 175.02 1nb5 s LEU 122 N 3.42 4.12 0.28 2.70 1.43 -1.26 -5.00 118.68 124.37 1nb5 s LEU 122 Ca 0.80 1.86 0.10 0.00 -1.03 0.00 0.00 54.13 55.86 1nb5 s LEU 122 Cb -0.41 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.23 1nb5 s LEU 122 CO 0.36 -1.02 -0.05 0.42 0.23 0.00 0.00 176.35 176.29 1nb5 s THR 123 N 4.37 3.10 0.63 5.49 -4.23 -1.26 -5.03 115.64 118.72 1nb5 s THR 123 Ca 0.68 -2.04 -0.16 0.00 -1.18 0.00 0.00 61.69 58.99 1nb5 s THR 123 Cb -0.27 -2.70 -0.01 0.00 1.34 0.00 0.00 72.50 70.85 1nb5 s THR 123 CO 0.26 -0.36 1.12 -0.83 -0.54 0.00 0.00 174.62 174.27 1nb5 s GLY 124 N -3.64 2.27 0.00 3.99 0.00 -1.26 -5.05 107.32 103.63 1nb5 s GLY 124 Ca 0.32 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.66 1nb5 s GLY 124 CO 0.19 0.98 0.00 1.97 0.00 0.00 0.00 173.10 176.23