#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 4.92 -0.21 1.12 1.01 -1.26 -5.03 121.20 121.75 1nb5 s ILE 7 Ca 0.00 0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.52 1nb5 s ILE 7 Cb 0.00 -3.86 -0.00 0.00 0.01 0.00 0.00 42.46 38.61 1nb5 s ILE 7 CO 0.00 -0.80 1.20 -2.84 0.00 0.00 0.00 174.94 172.50 1nb5 s PRO 8 N -4.64 4.18 0.00 2.79 0.02 -1.26 -2.84 135.00 133.25 1nb5 s PRO 8 Ca 0.47 1.49 0.00 0.00 0.02 0.00 0.00 61.00 62.97 1nb5 s PRO 8 Cb -0.10 -3.75 0.00 0.00 0.02 0.00 0.00 34.50 30.67 1nb5 s PRO 8 CO 0.43 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.75 1nb5 n GLY 9 N 3.67 0.42 3.99 0.52 0.00 -1.26 -5.07 105.19 107.46 1nb5 n GLY 9 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.51 1.78 0.42 -0.02 0.00 -1.13 -4.86 107.32 102.00 1nb5 s GLY 10 Ca 0.00 -1.62 -0.22 0.00 0.00 0.00 0.00 44.72 42.88 1nb5 s GLY 10 CO 0.00 -1.16 0.97 1.08 0.00 0.00 0.00 173.10 173.99 1nb5 s LEU 11 N -4.97 4.00 0.00 0.66 1.43 -1.26 -4.55 118.68 113.99 1nb5 s LEU 11 Ca 0.63 1.76 -0.05 0.00 -1.03 0.00 0.00 54.13 55.44 1nb5 s LEU 11 Cb -0.07 -4.45 0.07 0.00 0.03 0.00 0.00 46.19 41.77 1nb5 s LEU 11 CO 0.42 -0.38 0.34 -1.54 0.23 0.00 0.00 176.35 175.42 1nb5 n SER 12 N -0.47 -0.54 -4.73 2.29 3.41 -0.21 -4.84 113.62 108.53 1nb5 n SER 12 Ca 0.06 -0.94 -0.41 0.00 -0.26 0.00 0.00 58.87 57.33 1nb5 n SER 12 Cb 0.53 -0.28 -0.04 0.00 -0.26 0.00 0.00 64.21 64.16 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 -3.75 4.54 0.71 4.33 2.12 -1.26 -4.76 118.70 120.63 1nb5 s GLU 13 Ca 0.20 1.19 -0.16 0.00 0.36 0.00 0.00 54.97 56.56 1nb5 s GLU 13 Cb -0.01 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 1nb5 s GLU 13 CO 0.15 0.14 0.70 0.00 -0.54 0.00 0.00 175.26 175.70 1nb5 n ALA 14 N 3.29 -0.98 -3.47 6.30 0.00 -1.26 -4.76 120.51 119.62 1nb5 n ALA 14 Ca 0.01 -0.20 -0.15 0.00 0.00 0.00 0.00 53.44 53.10 1nb5 n ALA 14 Cb 0.50 -1.95 -0.07 0.00 0.00 0.00 0.00 19.45 17.93 1nb5 n ALA 14 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1nb5 s LYS 15 N -2.91 0.84 0.59 0.00 3.01 -0.16 -4.99 119.74 116.12 1nb5 s LYS 15 Ca 0.69 0.43 -0.19 0.00 -1.01 0.00 0.00 55.97 55.89 1nb5 s LYS 15 Cb -0.36 0.40 -0.05 0.00 -1.01 0.00 0.00 37.83 36.81 1nb5 s LYS 15 CO 0.55 -0.20 1.01 -2.30 0.51 0.00 0.00 175.35 174.91 1nb5 n PRO 16 N 1.76 0.98 -2.56 -1.68 -0.02 -1.26 -1.22 135.00 130.99 1nb5 n PRO 16 Ca -0.17 0.38 -0.41 0.00 -2.02 0.00 0.00 63.50 61.27 1nb5 n PRO 16 Cb 0.56 -2.20 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 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 -1.48 3.32 0.52 3.55 0.00 -0.91 -4.65 121.76 122.11 1nb5 s ALA 17 Ca 0.75 0.74 0.04 0.00 0.00 0.00 0.00 51.96 53.48 1nb5 s ALA 17 Cb -0.42 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.37 1nb5 s ALA 17 CO 0.47 -0.24 0.72 0.95 0.00 0.00 0.00 175.76 177.67 1nb5 s THR 18 N 0.35 2.73 0.54 0.00 -4.23 -1.26 -4.95 115.64 108.82 1nb5 s THR 18 Ca 0.52 -0.77 0.24 0.00 -1.18 0.00 0.00 61.69 60.49 1nb5 s THR 18 Cb -0.27 -2.96 0.30 0.00 1.34 0.00 0.00 72.50 70.92 1nb5 s THR 18 CO 0.31 0.00 2.18 -0.65 -0.54 0.00 0.00 174.62 175.92 1nb5 h PRO 19 N 0.22 0.00 -0.21 3.99 0.11 -1.97 0.16 132.00 134.31 1nb5 h PRO 19 Ca -0.41 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.61 1nb5 h PRO 19 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1nb5 h PRO 19 CO 0.49 0.03 -0.28 1.49 -0.21 0.00 0.00 178.00 179.53 1nb5 h GLU 20 N 0.00 0.41 -0.16 1.05 4.81 -1.99 -0.83 114.58 117.88 1nb5 h GLU 20 Ca -0.00 -0.16 -0.17 0.00 -0.13 0.00 0.00 59.36 58.90 1nb5 h GLU 20 Cb 0.07 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1nb5 h GLU 20 CO 0.00 0.66 -0.61 0.82 -0.73 0.00 0.00 179.01 179.15 1nb5 h ILE 21 N 0.36 1.33 -0.55 2.32 1.08 -1.05 -1.61 117.51 119.39 1nb5 h ILE 21 Ca 0.05 -1.89 -0.01 0.00 -0.39 0.00 0.00 64.86 62.63 1nb5 h ILE 21 Cb 0.68 1.87 -0.03 0.00 -3.07 0.00 0.00 36.82 36.27 1nb5 h ILE 21 CO 0.05 0.58 0.32 -0.61 -0.69 0.00 0.00 178.15 177.80 1nb5 h GLN 22 N 0.40 0.75 0.27 2.37 5.75 -0.94 -1.51 115.11 122.19 1nb5 h GLN 22 Ca -0.00 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.43 1nb5 h GLN 22 Cb 1.16 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 29.52 1nb5 h GLN 22 CO 0.11 0.56 -0.44 1.49 -2.65 0.00 0.00 178.83 177.89 1nb5 h GLU 23 N 0.74 -0.75 -0.98 1.69 4.22 -0.99 -1.41 114.58 117.09 1nb5 h GLU 23 Ca 0.20 0.05 0.19 0.00 0.08 0.00 0.00 59.36 59.87 1nb5 h GLU 23 Cb 0.01 0.17 -0.11 0.00 0.50 0.00 0.00 28.75 29.32 1nb5 h GLU 23 CO -0.04 -0.50 0.58 0.82 -2.18 0.00 0.00 179.01 177.70 1nb5 h ILE 24 N -0.78 0.70 0.52 2.32 2.04 -0.89 -1.89 117.51 119.53 1nb5 h ILE 24 Ca -0.01 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1nb5 h ILE 24 Cb 0.74 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1nb5 h ILE 24 CO -0.16 0.13 -0.28 0.58 0.00 0.00 0.00 178.15 178.42 1nb5 h VAL 25 N 0.74 0.42 -0.43 1.67 2.07 -0.50 -2.81 116.25 117.42 1nb5 h VAL 25 Ca 0.57 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.15 1nb5 h VAL 25 Cb 0.88 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 1nb5 h VAL 25 CO -0.39 0.00 0.08 0.44 0.02 0.00 0.00 177.57 177.73 1nb5 h ASP 26 N -0.74 0.00 -0.71 0.57 3.45 -0.49 -1.13 116.42 117.37 1nb5 h ASP 26 Ca -0.07 0.07 0.02 0.00 0.43 0.00 0.00 57.03 57.49 1nb5 h ASP 26 Cb 0.59 0.10 -0.04 0.00 -0.56 0.00 0.00 39.33 39.42 1nb5 h ASP 26 CO 0.09 0.04 0.47 0.11 -1.57 0.00 0.00 179.24 178.37 1nb5 h LYS 27 N 0.21 0.87 -0.03 3.56 1.57 -1.40 -1.14 116.57 120.21 1nb5 h LYS 27 Ca 0.21 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1nb5 h LYS 27 Cb 0.26 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1nb5 h LYS 27 CO -0.27 0.57 0.00 1.55 -0.57 0.00 0.00 179.45 180.73 1nb5 n VAL 28 N -4.45 0.02 0.12 0.50 3.14 -0.99 -4.50 118.33 112.17 1nb5 n VAL 28 Ca 0.08 -0.35 -0.06 0.00 -2.96 0.00 0.00 64.34 61.05 1nb5 n VAL 28 Cb 0.09 0.87 -0.03 0.00 -1.06 0.00 0.00 33.84 33.71 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 3.24 -0.34 -1.31 1.45 3.64 0.08 -1.97 116.57 121.36 1nb5 h LYS 29 Ca 0.00 0.02 0.38 0.00 -1.27 0.00 0.00 60.65 59.78 1nb5 h LYS 29 Cb 0.69 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.53 1nb5 h LYS 29 CO 0.00 -0.23 1.15 -1.00 -2.27 0.00 0.00 179.45 177.11 1nb5 h PRO 30 N -0.35 0.00 -0.19 1.90 0.13 -1.79 0.63 132.00 132.34 1nb5 h PRO 30 Ca -0.03 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.98 1nb5 h PRO 30 Cb 0.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 1nb5 h PRO 30 CO 0.02 0.00 -0.40 1.96 -0.23 0.00 0.00 178.00 179.35 1nb5 h GLN 31 N 0.00 0.43 0.24 0.86 4.20 -1.64 -1.02 115.11 118.17 1nb5 h GLN 31 Ca 0.62 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 59.11 1nb5 h GLN 31 Cb 2.93 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 30.71 1nb5 h GLN 31 CO -0.01 0.76 -0.11 1.25 -0.67 0.00 0.00 178.83 180.05 1nb5 h LEU 32 N 0.35 -0.27 -2.39 1.46 6.46 0.46 -2.94 115.31 118.44 1nb5 h LEU 32 Ca 0.03 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.54 1nb5 h LEU 32 Cb 0.86 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.86 1nb5 h LEU 32 CO 0.07 0.16 0.06 -0.33 -0.62 0.00 0.00 178.44 177.79 1nb5 h GLU 33 N -0.76 0.00 0.06 1.25 5.08 -1.46 0.51 114.58 119.27 1nb5 h GLU 33 Ca -0.03 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.06 1nb5 h GLU 33 Cb 0.50 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.77 1nb5 h GLU 33 CO 0.05 0.00 -1.12 1.49 -1.00 0.00 0.00 179.01 178.43 1nb5 h GLU 34 N 0.00 0.56 0.00 2.33 4.81 -1.02 -1.76 114.58 119.50 1nb5 h GLU 34 Ca 0.00 -0.69 -0.32 0.00 -0.13 0.00 0.00 59.36 58.23 1nb5 h GLU 34 Cb 0.13 0.22 -0.06 0.00 0.63 0.00 0.00 28.75 29.67 1nb5 h GLU 34 CO 0.00 1.29 -1.94 1.63 -0.73 0.00 0.00 179.01 179.26 1nb5 n LYS 35 N -3.77 0.65 0.02 1.92 5.02 -0.41 -4.42 118.16 117.16 1nb5 n LYS 35 Ca -0.11 0.20 0.04 0.00 -2.02 0.00 0.00 58.31 56.42 1nb5 n LYS 35 Cb 0.93 -1.70 -0.10 0.00 -0.02 0.00 0.00 35.03 34.14 1nb5 n LYS 35 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1nb5 n THR 36 N -2.95 0.78 -0.62 -0.18 -1.04 0.04 -4.97 114.28 105.34 1nb5 n THR 36 Ca -0.22 -0.63 0.00 0.00 -2.04 0.00 0.00 64.05 61.15 1nb5 n THR 36 Cb 1.09 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 69.18 1nb5 n THR 36 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1nb5 n ASN 37 N -2.66 0.00 -4.89 8.00 4.13 -0.66 -4.98 115.26 114.20 1nb5 n ASN 37 Ca -0.09 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 55.87 1nb5 n ASN 37 Cb 0.75 -1.40 -0.03 0.00 -1.54 0.00 0.00 39.78 37.56 1nb5 n ASN 37 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1nb5 s GLU 38 N -0.52 3.71 -0.23 3.52 2.12 -1.26 -5.02 118.70 121.03 1nb5 s GLU 38 Ca 0.00 0.29 -0.05 0.00 0.36 0.00 0.00 54.97 55.57 1nb5 s GLU 38 Cb 0.00 -2.48 -0.01 0.00 0.26 0.00 0.00 34.13 31.90 1nb5 s GLU 38 CO 0.00 0.04 -0.02 0.99 -0.54 0.00 0.00 175.26 175.73 1nb5 s THR 39 N -2.30 3.61 0.40 -1.70 2.01 -1.26 -4.49 115.64 111.92 1nb5 s THR 39 Ca 0.48 -0.41 0.08 0.00 0.31 0.00 0.00 61.69 62.15 1nb5 s THR 39 Cb -0.10 -2.66 0.00 0.00 0.01 0.00 0.00 72.50 69.75 1nb5 s THR 39 CO 0.32 0.40 0.53 -0.31 -0.69 0.00 0.00 174.62 174.87 1nb5 s TYR 40 N 1.49 2.86 0.00 4.92 2.02 -1.26 -5.12 117.35 122.26 1nb5 s TYR 40 Ca 0.06 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 1nb5 s TYR 40 Cb -0.14 -2.27 0.00 0.00 -0.40 0.00 0.00 41.96 39.14 1nb5 s TYR 40 CO -0.01 -0.30 0.00 0.41 -1.57 0.00 0.00 175.55 174.07 1nb5 n GLY 43 N -1.77 0.28 3.34 0.71 0.00 -1.26 -4.97 105.19 101.52 1nb5 n GLY 43 Ca 0.06 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.62 1nb5 n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nb5 s LYS 44 N 2.02 3.28 0.03 1.61 2.36 -1.26 -5.03 119.74 122.74 1nb5 s LYS 44 Ca 0.00 -1.92 -0.30 0.00 -2.55 0.00 0.00 55.97 51.20 1nb5 s LYS 44 Cb 0.00 -4.39 -0.06 0.00 -1.05 0.00 0.00 37.83 32.33 1nb5 s LYS 44 CO 0.00 -1.39 1.37 -0.51 1.55 0.00 0.00 175.35 176.36 1nb5 s LEU 45 N 1.37 4.33 -0.32 5.43 1.43 -1.26 -4.54 118.68 125.12 1nb5 s LEU 45 Ca 0.13 2.13 -0.10 0.00 -1.03 0.00 0.00 54.13 55.26 1nb5 s LEU 45 Cb -0.19 -3.57 -0.00 0.00 0.03 0.00 0.00 46.19 42.46 1nb5 s LEU 45 CO -0.02 -0.67 0.17 -0.70 0.23 0.00 0.00 176.35 175.36 1nb5 s GLU 46 N 1.98 3.27 -0.80 1.70 2.12 -0.09 -4.85 118.70 122.04 1nb5 s GLU 46 Ca 0.63 -0.77 -0.26 0.00 0.36 0.00 0.00 54.97 54.94 1nb5 s GLU 46 Cb -0.32 -3.62 -0.10 0.00 0.26 0.00 0.00 34.13 30.35 1nb5 s GLU 46 CO 0.27 -0.47 2.22 0.00 -0.54 0.00 0.00 175.26 176.75 1nb5 s ALA 47 N 1.62 1.16 -0.17 6.30 0.00 -1.26 -0.96 121.76 128.45 1nb5 s ALA 47 Ca 0.04 -0.98 -0.19 0.00 0.00 0.00 0.00 51.96 50.83 1nb5 s ALA 47 Cb -0.17 -4.54 -0.16 0.00 0.00 0.00 0.00 23.12 18.24 1nb5 s ALA 47 CO 0.07 -5.34 0.28 0.28 0.00 0.00 0.00 175.76 171.05 1nb5 h VAL 48 N 7.50 0.91 -3.13 0.00 2.07 -1.12 -3.41 116.25 119.07 1nb5 h VAL 48 Ca 0.00 -1.90 -0.11 0.00 0.82 0.00 0.00 66.70 65.51 1nb5 h VAL 48 Cb 1.03 1.94 -0.19 0.00 -1.52 0.00 0.00 31.29 32.55 1nb5 h VAL 48 CO 1.10 0.31 -0.27 -1.58 0.02 0.00 0.00 177.57 177.15 1nb5 s GLN 49 N -2.21 0.71 0.29 1.57 0.74 -1.13 -2.14 119.66 117.49 1nb5 s GLN 49 Ca -0.21 -0.30 0.03 0.00 0.05 0.00 0.00 55.36 54.93 1nb5 s GLN 49 Cb 0.02 0.31 -0.01 0.00 1.10 0.00 0.00 33.01 34.43 1nb5 s GLN 49 CO 0.49 -0.21 0.33 2.48 -0.55 0.00 0.00 175.29 177.83 1nb5 n TYR 50 N 1.04 -0.98 -3.50 1.67 4.11 -0.35 0.20 117.16 119.35 1nb5 n TYR 50 Ca -0.21 -2.25 0.00 0.00 -0.00 0.00 0.00 57.90 55.45 1nb5 n TYR 50 Cb 0.57 0.36 0.00 0.00 -0.00 0.00 0.00 39.34 40.27 1nb5 n TYR 50 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1nb5 n LYS 51 N -0.53 0.00 -3.61 -3.48 5.02 -0.51 -0.99 118.16 114.05 1nb5 n LYS 51 Ca 0.04 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.21 1nb5 n LYS 51 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.46 1nb5 n LYS 51 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1nb5 s THR 52 N -2.17 0.00 0.15 -0.18 -4.23 -1.26 -3.81 115.64 104.14 1nb5 s THR 52 Ca 0.00 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.61 1nb5 s THR 52 Cb 0.00 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.80 1nb5 s THR 52 CO 0.00 0.00 -0.24 -1.58 -0.54 0.00 0.00 174.62 172.26 1nb5 s GLN 53 N -0.11 1.38 -0.13 3.99 0.74 -0.36 -1.04 119.66 124.12 1nb5 s GLN 53 Ca -0.00 -1.39 0.02 0.00 0.05 0.00 0.00 55.36 54.04 1nb5 s GLN 53 Cb -0.04 -1.74 0.00 0.00 1.10 0.00 0.00 33.01 32.34 1nb5 s GLN 53 CO -0.01 0.39 -0.20 0.08 -0.55 0.00 0.00 175.29 175.00 1nb5 s VAL 54 N -1.39 2.34 0.00 1.34 1.01 -1.26 -3.02 120.40 119.42 1nb5 s VAL 54 Ca 0.15 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1nb5 s VAL 54 Cb -0.09 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1nb5 s VAL 54 CO 0.07 0.54 0.00 1.33 0.00 0.00 0.00 175.10 177.04 1nb5 n VAL 55 N 3.85 0.00 -1.10 2.92 0.24 -1.26 -4.64 118.33 118.34 1nb5 n VAL 55 Ca -0.19 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.78 1nb5 n VAL 55 Cb 0.52 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.87 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 5.42 0.00 2.33 0.00 -1.26 -4.59 120.51 119.41 1nb5 n ALA 56 Ca 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 53.44 50.55 1nb5 n ALA 56 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 19.45 16.17 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 3.88 0.30 3.28 0.00 0.00 -1.26 -4.48 105.19 106.90 1nb5 n GLY 57 Ca 0.56 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.06 -0.33 2.61 2.01 0.82 -4.73 115.64 111.96 1nb5 s THR 58 Ca 0.00 0.10 -0.11 0.00 0.31 0.00 0.00 61.69 61.99 1nb5 s THR 58 Cb 0.00 -0.62 0.00 0.00 0.01 0.00 0.00 72.50 71.89 1nb5 s THR 58 CO 0.00 0.04 0.19 0.20 -0.69 0.00 0.00 174.62 174.35 1nb5 s ASN 59 N 1.47 5.70 -0.15 3.53 0.01 -1.17 0.13 114.94 124.46 1nb5 s ASN 59 Ca -0.09 -0.63 -0.12 0.00 -0.71 0.00 0.00 52.86 51.31 1nb5 s ASN 59 Cb -0.08 -2.04 -0.05 0.00 0.41 0.00 0.00 41.25 39.49 1nb5 s ASN 59 CO -0.13 -0.25 0.23 -0.31 -1.51 0.00 0.00 177.10 175.13 1nb5 s TYR 60 N 1.62 3.48 -0.30 2.20 4.12 -0.19 -1.23 117.35 127.06 1nb5 s TYR 60 Ca 0.04 0.54 -0.06 0.00 0.02 0.00 0.00 57.07 57.61 1nb5 s TYR 60 Cb -0.18 -2.23 0.02 0.00 -1.52 0.00 0.00 41.96 38.05 1nb5 s TYR 60 CO 0.07 0.35 0.07 0.71 0.02 0.00 0.00 175.55 176.78 1nb5 s TYR 61 N 0.11 3.17 0.17 2.71 1.51 -1.25 -1.73 117.35 122.04 1nb5 s TYR 61 Ca 0.14 -1.14 0.10 0.00 -1.01 0.00 0.00 57.07 55.16 1nb5 s TYR 61 Cb -0.12 -2.24 -0.04 0.00 -0.11 0.00 0.00 41.96 39.44 1nb5 s TYR 61 CO 0.03 -0.63 -0.15 0.42 -1.11 0.00 0.00 175.55 174.11 1nb5 s ILE 62 N 1.46 2.87 -0.31 2.71 1.01 -0.22 -1.43 121.20 127.29 1nb5 s ILE 62 Ca 0.01 -1.74 -0.00 0.00 0.00 0.00 0.00 60.65 58.92 1nb5 s ILE 62 Cb -0.18 -2.39 0.07 0.00 0.01 0.00 0.00 42.46 39.97 1nb5 s ILE 62 CO 0.02 -0.07 0.02 -0.75 0.00 0.00 0.00 174.94 174.15 1nb5 s LYS 63 N -2.65 2.19 -0.10 2.79 2.20 0.13 -1.69 119.74 122.62 1nb5 s LYS 63 Ca 0.22 -1.46 -0.02 0.00 -0.36 0.00 0.00 55.97 54.36 1nb5 s LYS 63 Cb -0.09 -3.19 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 1nb5 s LYS 63 CO 0.13 -0.73 -0.01 0.14 -0.36 0.00 0.00 175.35 174.52 1nb5 s VAL 64 N 1.16 4.18 -0.43 4.02 -7.23 -0.30 -0.43 120.40 121.36 1nb5 s VAL 64 Ca -0.02 -0.29 -0.16 0.00 -1.81 0.00 0.00 61.98 59.70 1nb5 s VAL 64 Cb -0.20 -2.77 0.03 0.00 0.56 0.00 0.00 36.38 34.01 1nb5 s VAL 64 CO -0.03 0.58 0.39 -0.60 -0.31 0.00 0.00 175.10 175.13 1nb5 s ARG 65 N -0.66 3.02 0.00 4.82 3.52 -0.14 -0.64 118.95 128.87 1nb5 s ARG 65 Ca 0.10 -1.00 0.00 0.00 -0.13 0.00 0.00 55.73 54.70 1nb5 s ARG 65 Cb -0.12 -4.02 0.00 0.00 -1.56 0.00 0.00 34.95 29.25 1nb5 s ARG 65 CO 0.02 -0.88 0.29 0.00 -0.81 0.00 0.00 175.30 173.92 1nb5 n ALA 66 N 5.38 0.00 -2.00 6.12 0.00 0.87 -0.91 120.51 129.97 1nb5 n ALA 66 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1nb5 n ALA 66 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 0.53 1.89 3.58 0.00 0.00 -1.26 -4.27 105.19 105.66 1nb5 n GLY 67 Ca 0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 1nb5 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nb5 s ASP 68 N 1.26 3.72 -1.14 1.61 1.01 -1.26 -3.61 116.67 118.25 1nb5 s ASP 68 Ca 0.00 -0.90 -0.07 0.00 0.71 0.00 0.00 52.55 52.28 1nb5 s ASP 68 Cb 0.00 -2.59 0.06 0.00 1.01 0.00 0.00 42.92 41.40 1nb5 s ASP 68 CO 0.00 -4.40 0.35 0.59 0.21 0.00 0.00 175.17 171.92 1nb5 n ASN 92 N 18.81 -3.37 -4.68 0.27 4.13 -1.26 -4.91 115.26 124.25 1nb5 n ASN 92 Ca 0.43 -0.23 -0.38 0.00 1.68 0.00 0.00 54.58 56.07 1nb5 n ASN 92 Cb 0.46 -2.83 -0.07 0.00 -1.54 0.00 0.00 39.78 35.81 1nb5 n ASN 92 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1nb5 s LYS 93 N -5.79 4.23 -0.11 3.52 1.02 -1.24 -4.93 119.74 116.44 1nb5 s LYS 93 Ca 0.31 0.35 0.04 0.00 0.02 0.00 0.00 55.97 56.68 1nb5 s LYS 93 Cb -0.16 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.63 1nb5 s LYS 93 CO 0.38 -0.02 -0.23 0.71 -0.92 0.00 0.00 175.35 175.27 1nb5 s TYR 94 N 1.23 2.55 0.17 3.18 2.02 -1.23 -0.09 117.35 125.18 1nb5 s TYR 94 Ca 0.23 -1.11 0.08 0.00 -0.37 0.00 0.00 57.07 55.89 1nb5 s TYR 94 Cb -0.15 -1.72 -0.04 0.00 -0.40 0.00 0.00 41.96 39.65 1nb5 s TYR 94 CO 0.09 -0.47 -0.16 1.41 -1.57 0.00 0.00 175.55 174.85 1nb5 s MET 95 N 0.48 1.26 -0.34 -0.62 1.75 0.18 -0.95 119.30 121.07 1nb5 s MET 95 Ca -0.16 -1.45 0.04 0.00 -1.25 0.00 0.00 55.69 52.87 1nb5 s MET 95 Cb -0.17 -1.20 0.10 0.00 2.84 0.00 0.00 34.83 36.40 1nb5 s MET 95 CO 0.06 0.23 0.04 -1.01 -0.65 0.00 0.00 175.02 173.69 1nb5 s HIS 96 N -2.40 3.73 0.18 4.11 3.76 -0.32 -1.15 115.29 123.19 1nb5 s HIS 96 Ca 0.17 -2.94 -0.12 0.00 -0.15 0.00 0.00 55.06 52.02 1nb5 s HIS 96 Cb -0.04 -2.86 -0.07 0.00 1.11 0.00 0.00 32.58 30.72 1nb5 s HIS 96 CO 0.06 -0.95 0.55 -0.51 -0.85 0.00 0.00 174.74 173.04 1nb5 s LEU 97 N 0.92 4.27 -0.67 0.89 1.02 -0.68 -0.99 118.68 123.44 1nb5 s LEU 97 Ca 0.09 1.01 0.05 0.00 0.02 0.00 0.00 54.13 55.30 1nb5 s LEU 97 Cb -0.19 -3.43 0.17 0.00 0.02 0.00 0.00 46.19 42.76 1nb5 s LEU 97 CO -0.08 0.03 0.47 -0.75 0.02 0.00 0.00 176.35 176.05 1nb5 s LYS 98 N -2.30 2.32 0.39 1.70 2.20 -0.84 -1.06 119.74 122.15 1nb5 s LYS 98 Ca 0.42 -3.21 -0.23 0.00 -0.36 0.00 0.00 55.97 52.58 1nb5 s LYS 98 Cb -0.13 -3.27 -0.10 0.00 -1.51 0.00 0.00 37.83 32.81 1nb5 s LYS 98 CO 0.20 -1.28 0.96 0.08 -0.36 0.00 0.00 175.35 174.95 1nb5 s VAL 99 N -1.28 4.24 0.08 4.02 1.01 -0.71 -1.02 120.40 126.75 1nb5 s VAL 99 Ca 0.25 1.58 0.06 0.00 0.00 0.00 0.00 61.98 63.87 1nb5 s VAL 99 Cb -0.05 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1nb5 s VAL 99 CO -0.16 -0.13 -0.10 0.12 0.00 0.00 0.00 175.10 174.84 1nb5 s PHE 100 N -1.93 2.76 -0.10 5.22 5.99 -1.09 -1.02 117.98 127.80 1nb5 s PHE 100 Ca 0.58 -0.14 -0.01 0.00 0.00 0.00 0.00 56.93 57.35 1nb5 s PHE 100 Cb -0.14 -1.47 0.03 0.00 0.00 0.00 0.00 43.02 41.44 1nb5 s PHE 100 CO 0.18 0.40 -0.02 0.21 -0.00 0.00 0.00 175.22 175.99 1nb5 s LYS 101 N -2.01 0.97 0.71 10.12 2.20 0.12 -2.40 119.74 129.44 1nb5 s LYS 101 Ca 0.20 -0.09 -0.11 0.00 -0.36 0.00 0.00 55.97 55.61 1nb5 s LYS 101 Cb -0.11 -1.32 0.02 0.00 -1.51 0.00 0.00 37.83 34.91 1nb5 s LYS 101 CO 0.12 -0.32 1.07 0.45 -0.36 0.00 0.00 175.35 176.31 1nb5 s SER 102 N 1.86 5.31 0.44 1.43 0.15 -1.24 -0.12 113.70 121.52 1nb5 s SER 102 Ca 0.04 1.39 -0.24 0.00 0.70 0.00 0.00 55.95 57.84 1nb5 s SER 102 Cb -0.13 -2.24 -0.08 0.00 -1.71 0.00 0.00 66.02 61.86 1nb5 s SER 102 CO -0.07 -1.46 1.24 -0.76 1.20 0.00 0.00 173.24 173.39 1nb5 s LEU 102 N -5.50 4.10 0.65 3.45 1.43 -1.26 -4.77 118.68 116.79 1nb5 s LEU 102 Ca 0.58 2.49 0.28 0.00 -1.03 0.00 0.00 54.13 56.46 1nb5 s LEU 102 Cb -0.13 -4.08 1.53 0.00 0.03 0.00 0.00 46.19 43.54 1nb5 s LEU 102 CO 0.54 -0.92 1.88 -0.65 0.23 0.00 0.00 176.35 177.42 1nb5 h PRO 103 N 2.33 0.00 0.69 1.29 0.11 -1.97 -0.53 132.00 133.92 1nb5 h PRO 103 Ca -0.49 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1nb5 h PRO 103 Cb 1.25 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.37 1nb5 h PRO 103 CO 0.61 0.00 -0.33 0.78 -0.21 0.00 0.00 178.00 178.85 1nb5 h GLY 104 N 0.00 -0.96 1.52 -0.55 0.00 -2.02 -3.27 103.07 97.78 1nb5 h GLY 104 Ca 0.04 0.36 -0.08 0.00 0.00 0.00 0.00 47.33 47.65 1nb5 h GLY 104 CO -0.00 -0.35 -0.12 1.46 0.00 0.00 0.00 176.54 177.53 1nb5 h GLN 105 N -1.16 0.58 -1.66 4.80 7.50 -1.73 -3.47 115.11 119.97 1nb5 h GLN 105 Ca -0.09 -0.17 -0.38 0.00 0.50 0.00 0.00 58.65 58.51 1nb5 h GLN 105 Cb 0.71 -0.06 -0.09 0.00 0.05 0.00 0.00 27.48 28.09 1nb5 h GLN 105 CO 0.15 0.69 -0.40 -1.71 -1.50 0.00 0.00 178.83 176.06 1nb5 n ASN 105 N -4.19 -5.29 -4.77 1.46 4.05 -0.28 -4.97 115.26 101.27 1nb5 n ASN 105 Ca 0.01 0.25 -0.38 0.00 0.45 0.00 0.00 54.58 54.91 1nb5 n ASN 105 Cb 0.34 -4.39 -0.02 0.00 1.23 0.00 0.00 39.78 36.93 1nb5 n ASN 105 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 1nb5 s GLU 106 N -4.17 4.07 0.94 1.20 2.56 -1.26 -5.02 118.70 117.02 1nb5 s GLU 106 Ca 0.00 1.81 -0.16 0.00 0.00 0.00 0.00 54.97 56.62 1nb5 s GLU 106 Cb 0.00 -2.67 0.23 0.00 2.00 0.00 0.00 34.13 33.69 1nb5 s GLU 106 CO 0.00 -0.30 0.91 -3.47 -0.56 0.00 0.00 175.26 171.84 1nb5 n ASP 107 N 0.07 -1.48 -4.69 -1.70 2.03 -1.26 -3.67 116.55 105.86 1nb5 n ASP 107 Ca 0.04 -1.11 -0.42 0.00 0.52 0.00 0.00 54.79 53.82 1nb5 n ASP 107 Cb 0.47 -0.81 -0.03 0.00 -0.72 0.00 0.00 41.12 40.04 1nb5 n ASP 107 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1nb5 s LEU 108 N 0.00 4.30 -0.32 -2.67 1.43 -1.26 -4.43 118.68 115.73 1nb5 s LEU 108 Ca 0.57 1.97 0.03 0.00 -1.03 0.00 0.00 54.13 55.67 1nb5 s LEU 108 Cb -0.05 -3.56 0.09 0.00 0.03 0.00 0.00 46.19 42.71 1nb5 s LEU 108 CO 0.43 -0.66 0.04 -0.69 0.23 0.00 0.00 176.35 175.71 1nb5 s VAL 109 N 2.34 1.95 -0.26 -1.59 1.01 -1.01 -4.90 120.40 117.94 1nb5 s VAL 109 Ca 0.60 -2.04 -0.34 0.00 0.00 0.00 0.00 61.98 60.20 1nb5 s VAL 109 Cb -0.28 -2.40 -0.11 0.00 0.00 0.00 0.00 36.38 33.59 1nb5 s VAL 109 CO 0.24 -0.54 2.09 -0.11 0.00 0.00 0.00 175.10 176.78 1nb5 n LEU 110 N 4.41 2.68 -0.40 3.92 7.94 -1.26 -2.68 117.00 131.60 1nb5 n LEU 110 Ca 0.01 0.56 0.08 0.00 -1.11 0.00 0.00 56.01 55.54 1nb5 n LEU 110 Cb 0.42 -1.33 0.01 0.00 0.53 0.00 0.00 43.42 43.05 1nb5 n LEU 110 CO 0.20 -0.54 0.30 0.35 -1.11 0.00 0.00 177.39 176.59 1nb5 n THR 111 N 6.62 0.00 -3.64 1.96 -2.24 -0.19 -4.97 114.28 111.82 1nb5 n THR 111 Ca 0.34 -0.36 -0.03 0.00 -2.27 0.00 0.00 64.05 61.73 1nb5 n THR 111 Cb 0.28 1.21 -0.01 0.00 -2.10 0.00 0.00 70.33 69.71 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 -1.78 -0.34 -0.17 3.38 0.00 -1.23 -4.98 107.32 102.20 1nb5 s GLY 112 Ca 0.14 0.72 -0.29 0.00 0.00 0.00 0.00 44.72 45.30 1nb5 s GLY 112 CO 0.36 0.19 0.87 -2.52 0.00 0.00 0.00 173.10 172.00 1nb5 s TYR 113 N -2.81 -0.54 -0.05 1.90 -0.85 -1.26 -1.99 117.35 111.75 1nb5 s TYR 113 Ca 0.11 1.07 0.04 0.00 -0.52 0.00 0.00 57.07 57.77 1nb5 s TYR 113 Cb 0.01 0.40 0.00 0.00 0.38 0.00 0.00 41.96 42.75 1nb5 s TYR 113 CO -0.03 -0.41 -0.16 -0.65 -1.52 0.00 0.00 175.55 172.78 1nb5 s GLN 114 N -0.66 1.85 0.16 -3.49 -0.21 -0.16 -4.97 119.66 112.17 1nb5 s GLN 114 Ca -0.03 -0.58 0.06 0.00 0.02 0.00 0.00 55.36 54.83 1nb5 s GLN 114 Cb -0.02 -1.56 -0.04 0.00 1.00 0.00 0.00 33.01 32.39 1nb5 s GLN 114 CO 0.03 0.18 0.04 0.14 -2.12 0.00 0.00 175.29 173.56 1nb5 s VAL 115 N 0.21 3.98 -0.46 1.09 -7.23 -1.26 -1.17 120.40 115.56 1nb5 s VAL 115 Ca -0.08 -1.27 -0.30 0.00 -1.81 0.00 0.00 61.98 58.53 1nb5 s VAL 115 Cb -0.13 -3.00 0.04 0.00 0.56 0.00 0.00 36.38 33.85 1nb5 s VAL 115 CO 0.03 -0.08 0.64 0.47 -0.31 0.00 0.00 175.10 175.85 1nb5 n ASP 115 N -0.11 -6.33 -4.24 4.85 8.00 -1.22 -5.01 116.55 112.49 1nb5 n ASP 115 Ca -0.09 0.04 -0.27 0.00 0.71 0.00 0.00 54.79 55.18 1nb5 n ASP 115 Cb 0.55 -2.95 -0.15 0.00 -0.02 0.00 0.00 41.12 38.55 1nb5 n ASP 115 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1nb5 s LYS 116 N -2.60 1.69 0.70 -1.24 1.02 -0.12 -5.01 119.74 114.18 1nb5 s LYS 116 Ca 0.32 -0.81 -0.14 0.00 0.02 0.00 0.00 55.97 55.36 1nb5 s LYS 116 Cb -0.05 -1.67 0.02 0.00 -0.52 0.00 0.00 37.83 35.61 1nb5 s LYS 116 CO 0.84 0.45 1.13 -0.80 -0.92 0.00 0.00 175.35 176.05 1nb5 s ASN 117 N -0.65 4.75 0.62 2.83 0.02 -1.26 -3.55 114.94 117.70 1nb5 s ASN 117 Ca 0.08 2.06 0.32 0.00 -1.02 0.00 0.00 52.86 54.31 1nb5 s ASN 117 Cb -0.08 -2.56 1.80 0.00 0.02 0.00 0.00 41.25 40.43 1nb5 s ASN 117 CO -0.00 -1.87 2.12 0.50 0.02 0.00 0.00 177.10 177.86 1nb5 h LYS 118 N -0.25 0.00 0.00 -0.60 3.64 -1.94 -2.59 116.57 114.83 1nb5 h LYS 118 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1nb5 h LYS 118 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1nb5 h LYS 118 CO 0.52 0.00 -0.88 -0.25 -2.27 0.00 0.00 179.45 176.57 1nb5 n ASP 119 N -3.49 0.72 -4.44 4.20 8.00 -1.26 -4.98 116.55 115.29 1nb5 n ASP 119 Ca 0.00 -0.54 -0.41 0.00 0.71 0.00 0.00 54.79 54.55 1nb5 n ASP 119 Cb 0.29 0.75 0.01 0.00 -0.02 0.00 0.00 41.12 42.15 1nb5 n ASP 119 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1nb5 n ASP 120 N -1.64 -1.16 -4.73 -2.24 8.00 -0.98 -4.91 116.55 108.89 1nb5 n ASP 120 Ca 0.04 0.87 -0.39 0.00 0.71 0.00 0.00 54.79 56.01 1nb5 n ASP 120 Cb 0.37 -1.09 -0.05 0.00 -0.02 0.00 0.00 41.12 40.32 1nb5 n ASP 120 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1nb5 s GLU 121 N -1.58 4.42 0.07 -1.24 2.56 -1.26 -4.99 118.70 116.68 1nb5 s GLU 121 Ca 0.63 0.84 -0.31 0.00 0.00 0.00 0.00 54.97 56.14 1nb5 s GLU 121 Cb -0.58 -3.42 -0.09 0.00 2.00 0.00 0.00 34.13 32.05 1nb5 s GLU 121 CO 0.58 0.15 1.71 -0.51 -0.56 0.00 0.00 175.26 176.63 1nb5 s LEU 122 N 0.53 4.37 0.39 2.70 1.43 -1.26 -4.97 118.68 121.87 1nb5 s LEU 122 Ca 0.36 2.54 0.07 0.00 -1.03 0.00 0.00 54.13 56.06 1nb5 s LEU 122 Cb -0.18 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.41 1nb5 s LEU 122 CO 0.18 -0.93 -0.00 0.42 0.23 0.00 0.00 176.35 176.25 1nb5 s THR 123 N 2.89 1.94 -1.26 5.49 -4.23 -1.26 -5.06 115.64 114.15 1nb5 s THR 123 Ca 0.76 -2.04 -0.13 0.00 -1.18 0.00 0.00 61.69 59.10 1nb5 s THR 123 Cb -0.41 -2.90 0.15 0.00 1.34 0.00 0.00 72.50 70.68 1nb5 s THR 123 CO 0.34 -0.04 1.66 0.61 -0.54 0.00 0.00 174.62 176.64 1nb5 n GLY 124 N -0.90 3.69 0.00 3.99 0.00 -1.26 -5.04 105.19 105.67 1nb5 n GLY 124 Ca -0.05 -1.92 0.14 0.00 0.00 0.00 0.00 46.02 44.20 1nb5 n GLY 124 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29