#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 4.35 -0.32 1.12 1.01 -1.26 -4.99 121.20 121.11 1nb5 s ILE 7 Ca 0.00 -1.09 -0.04 0.00 0.00 0.00 0.00 60.65 59.52 1nb5 s ILE 7 Cb 0.00 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 1nb5 s ILE 7 CO 0.00 -0.07 1.42 -2.65 0.00 0.00 0.00 174.94 173.64 1nb5 n PRO 8 N -0.17 0.73 0.00 2.79 -0.02 -1.26 -2.04 135.00 135.03 1nb5 n PRO 8 Ca -0.09 -0.88 0.00 0.00 -2.02 0.00 0.00 63.50 60.52 1nb5 n PRO 8 Cb 0.54 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1nb5 n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nb5 n GLY 9 N 3.98 -0.44 0.00 -1.23 0.00 -1.26 -5.10 105.19 101.13 1nb5 n GLY 9 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 -1.75 3.97 -0.02 0.00 -0.87 -4.87 105.19 101.65 1nb5 n GLY 10 Ca 0.00 -1.56 -0.21 0.00 0.00 0.00 0.00 46.02 44.25 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 4.29 0.89 0.99 1.43 -1.26 -4.54 118.68 120.48 1nb5 s LEU 11 Ca 0.00 0.07 -0.13 0.00 -1.03 0.00 0.00 54.13 53.04 1nb5 s LEU 11 Cb 0.00 -2.87 0.14 0.00 0.03 0.00 0.00 46.19 43.48 1nb5 s LEU 11 CO 0.00 -0.10 1.20 -0.94 0.23 0.00 0.00 176.35 176.75 1nb5 s SER 12 N -3.99 3.71 0.98 2.29 1.04 0.54 -4.89 113.70 113.38 1nb5 s SER 12 Ca 0.35 0.68 -0.12 0.00 0.48 0.00 0.00 55.95 57.34 1nb5 s SER 12 Cb -0.09 -1.07 0.18 0.00 0.10 0.00 0.00 66.02 65.14 1nb5 s SER 12 CO 0.29 -2.40 1.08 -0.70 0.98 0.00 0.00 173.24 172.50 1nb5 s GLU 13 N -5.58 0.53 0.09 4.02 2.56 -1.26 -4.62 118.70 114.44 1nb5 s GLU 13 Ca 0.66 0.81 -0.15 0.00 0.00 0.00 0.00 54.97 56.29 1nb5 s GLU 13 Cb -0.10 -1.73 -0.06 0.00 2.00 0.00 0.00 34.13 34.24 1nb5 s GLU 13 CO 0.51 -2.73 0.51 0.00 -0.56 0.00 0.00 175.26 172.99 1nb5 s ALA 14 N -2.81 3.62 0.18 6.30 0.00 -1.26 -4.67 121.76 123.11 1nb5 s ALA 14 Ca 0.65 -0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.56 1nb5 s ALA 14 Cb -0.20 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 1nb5 s ALA 14 CO 0.59 0.45 -0.14 0.15 0.00 0.00 0.00 175.76 176.81 1nb5 s LYS 15 N -1.50 1.23 0.76 0.00 3.01 -0.90 -4.97 119.74 117.37 1nb5 s LYS 15 Ca 0.31 -1.48 -0.15 0.00 -1.01 0.00 0.00 55.97 53.64 1nb5 s LYS 15 Cb -0.17 -1.05 0.00 0.00 -1.01 0.00 0.00 37.83 35.61 1nb5 s LYS 15 CO 0.18 0.18 0.77 -2.30 0.51 0.00 0.00 175.35 174.69 1nb5 n PRO 16 N -0.10 0.28 -2.42 -1.68 -0.02 -1.26 -2.12 135.00 127.68 1nb5 n PRO 16 Ca -0.10 0.15 -0.37 0.00 -2.02 0.00 0.00 63.50 61.16 1nb5 n PRO 16 Cb 0.59 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 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 -1.97 3.08 0.20 3.55 0.00 -1.02 -4.62 121.76 120.98 1nb5 s ALA 17 Ca 0.68 0.82 0.11 0.00 0.00 0.00 0.00 51.96 53.57 1nb5 s ALA 17 Cb -0.32 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 1nb5 s ALA 17 CO 0.55 -0.38 -0.22 0.95 0.00 0.00 0.00 175.76 176.66 1nb5 s THR 18 N -1.56 2.23 0.46 0.00 -4.23 -1.26 -4.94 115.64 106.33 1nb5 s THR 18 Ca 0.59 -2.05 0.40 0.00 -1.18 0.00 0.00 61.69 59.45 1nb5 s THR 18 Cb -0.26 -2.07 0.60 0.00 1.34 0.00 0.00 72.50 72.11 1nb5 s THR 18 CO 0.32 -0.20 1.32 -2.65 -0.54 0.00 0.00 174.62 172.87 1nb5 n PRO 19 N 0.17 -0.00 0.09 3.99 -0.02 -1.26 0.59 135.00 138.55 1nb5 n PRO 19 Ca -0.12 0.94 -0.12 0.00 -2.02 0.00 0.00 63.50 62.18 1nb5 n PRO 19 Cb 0.57 -2.11 -0.09 0.00 -0.02 0.00 0.00 33.50 31.84 1nb5 n PRO 19 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1nb5 h GLU 20 N 0.00 0.20 -0.20 -0.52 4.81 -1.99 -2.72 114.58 114.16 1nb5 h GLU 20 Ca 0.79 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 59.72 1nb5 h GLU 20 Cb 3.09 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 32.56 1nb5 h GLU 20 CO -0.07 1.09 0.12 0.82 -0.73 0.00 0.00 179.01 180.25 1nb5 h ILE 21 N 0.08 1.08 -0.71 2.32 1.08 -0.25 0.36 117.51 121.47 1nb5 h ILE 21 Ca -0.08 -0.18 -0.01 0.00 -0.39 0.00 0.00 64.86 64.21 1nb5 h ILE 21 Cb 1.77 0.83 -0.03 0.00 -3.07 0.00 0.00 36.82 36.32 1nb5 h ILE 21 CO 0.17 0.07 0.40 -0.61 -0.69 0.00 0.00 178.15 177.49 1nb5 h GLN 22 N 0.25 0.97 -0.01 2.37 5.75 -1.55 0.22 115.11 123.10 1nb5 h GLN 22 Ca 0.07 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1nb5 h GLN 22 Cb 0.01 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.36 1nb5 h GLN 22 CO -0.01 0.70 -0.00 1.49 -2.65 0.00 0.00 178.83 178.35 1nb5 h GLU 23 N 0.98 -0.00 -0.28 1.69 4.22 -1.08 0.47 114.58 120.58 1nb5 h GLU 23 Ca 0.25 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.73 1nb5 h GLU 23 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1nb5 h GLU 23 CO -0.04 -0.00 0.07 0.82 -2.18 0.00 0.00 179.01 177.68 1nb5 h ILE 24 N -0.00 0.89 -0.65 2.32 2.04 0.11 0.30 117.51 122.51 1nb5 h ILE 24 Ca 0.01 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1nb5 h ILE 24 Cb 0.01 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1nb5 h ILE 24 CO -0.01 0.03 0.34 0.58 0.00 0.00 0.00 178.15 179.09 1nb5 h VAL 25 N 0.18 1.21 -0.50 1.67 2.07 -0.21 0.62 116.25 121.29 1nb5 h VAL 25 Ca 0.13 -0.56 -0.13 0.00 0.82 0.00 0.00 66.70 66.95 1nb5 h VAL 25 Cb 0.12 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1nb5 h VAL 25 CO -0.15 0.24 -0.19 0.44 0.02 0.00 0.00 177.57 177.93 1nb5 h ASP 26 N 0.89 1.04 0.79 0.57 3.45 0.39 0.60 116.42 124.15 1nb5 h ASP 26 Ca 0.23 -0.38 -0.04 0.00 0.43 0.00 0.00 57.03 57.26 1nb5 h ASP 26 Cb 0.07 -0.29 -0.01 0.00 -0.56 0.00 0.00 39.33 38.55 1nb5 h ASP 26 CO -0.03 1.19 -0.20 0.50 -1.57 0.00 0.00 179.24 179.12 1nb5 h LYS 27 N 0.88 0.00 0.00 3.56 3.64 -0.19 -3.15 116.57 121.31 1nb5 h LYS 27 Ca 0.12 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.19 1nb5 h LYS 27 Cb 0.77 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.54 1nb5 h LYS 27 CO 0.06 0.20 -1.84 1.55 -2.27 0.00 0.00 179.45 177.15 1nb5 n VAL 28 N -3.44 1.57 -0.33 2.00 3.14 0.19 -4.48 118.33 116.97 1nb5 n VAL 28 Ca -0.00 -0.81 0.25 0.00 -2.96 0.00 0.00 64.34 60.82 1nb5 n VAL 28 Cb 0.38 -0.92 0.48 0.00 -1.06 0.00 0.00 33.84 32.72 1nb5 n VAL 28 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1nb5 n LYS 29 N -2.99 -0.07 -0.11 1.45 4.81 0.20 0.99 118.16 122.45 1nb5 n LYS 29 Ca -0.20 1.42 0.04 0.00 -0.87 0.00 0.00 58.31 58.70 1nb5 n LYS 29 Cb 1.07 -2.44 0.36 0.00 0.02 0.00 0.00 35.03 34.05 1nb5 n LYS 29 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1nb5 h PRO 30 N 0.00 0.71 -0.17 1.64 0.11 -1.78 -2.41 132.00 130.09 1nb5 h PRO 30 Ca 0.75 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.71 1nb5 h PRO 30 Cb 1.86 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.80 1nb5 h PRO 30 CO -0.83 0.47 -0.39 1.96 -0.21 0.00 0.00 178.00 178.99 1nb5 h GLN 31 N 0.73 0.39 0.11 1.05 4.20 0.33 -0.91 115.11 120.99 1nb5 h GLN 31 Ca 0.23 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.76 1nb5 h GLN 31 Cb 0.02 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1nb5 h GLN 31 CO -0.06 0.72 -0.15 1.25 -0.67 0.00 0.00 178.83 179.93 1nb5 h LEU 32 N 0.32 -0.39 -0.55 1.46 6.46 -1.45 -2.58 115.31 118.57 1nb5 h LEU 32 Ca 0.03 0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.87 1nb5 h LEU 32 Cb 0.83 0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.87 1nb5 h LEU 32 CO 0.07 -0.22 0.32 -0.33 -0.62 0.00 0.00 178.44 177.66 1nb5 h GLU 33 N -0.30 0.60 0.00 1.25 5.08 -1.41 0.16 114.58 119.96 1nb5 h GLU 33 Ca 0.02 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1nb5 h GLU 33 Cb 0.30 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1nb5 h GLU 33 CO -0.07 0.40 -0.03 0.93 -1.00 0.00 0.00 179.01 179.24 1nb5 h GLU 34 N 0.62 0.00 0.06 2.33 5.08 -0.94 1.10 114.58 122.83 1nb5 h GLU 34 Ca 0.23 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.22 1nb5 h GLU 34 Cb 0.07 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1nb5 h GLU 34 CO -0.12 0.03 -2.22 1.63 -1.00 0.00 0.00 179.01 177.33 1nb5 n LYS 35 N -3.37 0.71 0.00 2.33 5.02 -0.80 -4.33 118.16 117.72 1nb5 n LYS 35 Ca -0.02 0.21 0.12 0.00 -2.02 0.00 0.00 58.31 56.59 1nb5 n LYS 35 Cb 0.16 -1.62 0.08 0.00 -0.02 0.00 0.00 35.03 33.63 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 -3.36 0.00 -2.70 -0.18 -2.24 0.51 -4.96 114.28 101.34 1nb5 n THR 36 Ca -0.38 -0.44 -0.08 0.00 -2.27 0.00 0.00 64.05 60.88 1nb5 n THR 36 Cb 1.02 1.42 -0.01 0.00 -2.10 0.00 0.00 70.33 70.67 1nb5 n THR 36 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1nb5 n ASN 37 N 0.99 -2.10 -4.95 3.42 5.15 0.38 -4.93 115.26 113.22 1nb5 n ASN 37 Ca 0.13 0.21 -0.22 0.00 -0.60 0.00 0.00 54.58 54.11 1nb5 n ASN 37 Cb 0.56 -1.87 0.01 0.00 -0.53 0.00 0.00 39.78 37.96 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 -5.26 2.42 -0.13 1.20 2.02 -1.23 -5.03 118.70 112.69 1nb5 s GLU 38 Ca 0.09 -1.68 -0.03 0.00 0.02 0.00 0.00 54.97 53.38 1nb5 s GLU 38 Cb -0.05 -2.42 0.05 0.00 0.10 0.00 0.00 34.13 31.80 1nb5 s GLU 38 CO 0.12 -0.53 0.04 0.99 0.02 0.00 0.00 175.26 175.90 1nb5 s THR 39 N -2.61 0.23 0.07 3.63 2.01 -1.26 -4.54 115.64 113.16 1nb5 s THR 39 Ca 0.49 -0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.35 1nb5 s THR 39 Cb -0.04 -0.64 -0.05 0.00 0.01 0.00 0.00 72.50 71.78 1nb5 s THR 39 CO 0.30 -0.04 0.26 -0.31 -0.69 0.00 0.00 174.62 174.14 1nb5 s TYR 40 N 2.01 3.52 0.00 4.92 2.02 -1.26 -5.10 117.35 123.46 1nb5 s TYR 40 Ca 0.02 0.40 0.00 0.00 -0.37 0.00 0.00 57.07 57.12 1nb5 s TYR 40 Cb -0.15 -1.87 0.00 0.00 -0.40 0.00 0.00 41.96 39.54 1nb5 s TYR 40 CO -0.07 0.56 0.00 0.41 -1.57 0.00 0.00 175.55 174.88 1nb5 n GLY 43 N 0.46 -0.81 3.65 0.71 0.00 -1.26 -4.86 105.19 103.08 1nb5 n GLY 43 Ca -0.06 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1nb5 n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nb5 s LYS 44 N 0.00 4.19 -0.65 1.61 -2.85 -1.26 -5.00 119.74 115.79 1nb5 s LYS 44 Ca 0.00 1.04 -0.18 0.00 -1.00 0.00 0.00 55.97 55.83 1nb5 s LYS 44 Cb 0.00 -3.65 0.13 0.00 -2.06 0.00 0.00 37.83 32.25 1nb5 s LYS 44 CO 0.00 -0.56 0.71 -0.51 0.10 0.00 0.00 175.35 175.09 1nb5 s LEU 45 N 2.95 5.75 -0.24 2.77 1.43 -1.26 -4.30 118.68 125.78 1nb5 s LEU 45 Ca 0.37 -1.76 -0.24 0.00 -1.03 0.00 0.00 54.13 51.47 1nb5 s LEU 45 Cb -0.15 -2.28 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 1nb5 s LEU 45 CO 0.07 -0.97 0.79 -0.70 0.23 0.00 0.00 176.35 175.77 1nb5 s GLU 46 N 2.06 4.18 0.32 1.70 2.12 0.36 -4.81 118.70 124.63 1nb5 s GLU 46 Ca 0.12 0.88 -0.29 0.00 0.36 0.00 0.00 54.97 56.05 1nb5 s GLU 46 Cb -0.22 -3.64 -0.10 0.00 0.26 0.00 0.00 34.13 30.44 1nb5 s GLU 46 CO 0.02 -0.48 1.24 0.00 -0.54 0.00 0.00 175.26 175.50 1nb5 s ALA 47 N 2.69 3.46 0.00 6.30 0.00 -1.26 0.13 121.76 133.08 1nb5 s ALA 47 Ca 0.34 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1nb5 s ALA 47 Cb -0.15 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1nb5 s ALA 47 CO 0.08 -0.50 0.00 0.28 0.00 0.00 0.00 175.76 175.62 1nb5 n VAL 48 N 0.88 0.00 -3.52 0.00 0.31 -0.21 -4.75 118.33 111.04 1nb5 n VAL 48 Ca -0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1nb5 n VAL 48 Cb 0.43 -0.55 -0.03 0.00 -0.91 0.00 0.00 33.84 32.78 1nb5 n VAL 48 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1nb5 s GLN 49 N -1.64 1.28 0.13 5.55 -0.21 -1.21 -2.45 119.66 121.12 1nb5 s GLN 49 Ca 0.00 -0.59 -0.24 0.00 0.02 0.00 0.00 55.36 54.55 1nb5 s GLN 49 Cb 0.00 0.56 0.07 0.00 1.00 0.00 0.00 33.01 34.64 1nb5 s GLN 49 CO 0.00 -0.55 0.70 1.52 -2.12 0.00 0.00 175.29 174.84 1nb5 s TYR 50 N -3.78 -0.44 0.06 0.91 1.13 -0.90 -0.21 117.35 114.12 1nb5 s TYR 50 Ca 0.03 0.22 0.02 0.00 -1.41 0.00 0.00 57.07 55.93 1nb5 s TYR 50 Cb -0.01 0.57 -0.03 0.00 -1.10 0.00 0.00 41.96 41.39 1nb5 s TYR 50 CO -0.11 -0.81 -0.07 0.15 -2.51 0.00 0.00 175.55 172.20 1nb5 s LYS 51 N -3.60 0.65 0.27 -3.49 1.02 0.18 -2.12 119.74 112.65 1nb5 s LYS 51 Ca 0.03 -1.01 0.10 0.00 0.02 0.00 0.00 55.97 55.11 1nb5 s LYS 51 Cb -0.02 -0.22 -0.05 0.00 -0.52 0.00 0.00 37.83 37.02 1nb5 s LYS 51 CO -0.09 0.01 -0.14 0.99 -0.92 0.00 0.00 175.35 175.19 1nb5 s THR 52 N -2.42 2.12 -0.25 2.17 2.01 -1.26 -1.45 115.64 116.56 1nb5 s THR 52 Ca -0.00 -2.28 -0.09 0.00 0.31 0.00 0.00 61.69 59.63 1nb5 s THR 52 Cb -0.03 -2.33 0.10 0.00 0.01 0.00 0.00 72.50 70.25 1nb5 s THR 52 CO -0.02 -0.39 0.54 -1.58 -0.69 0.00 0.00 174.62 172.47 1nb5 s GLN 53 N -3.60 0.47 0.04 4.92 0.74 -0.91 -0.34 119.66 120.98 1nb5 s GLN 53 Ca 0.29 1.21 -0.30 0.00 0.05 0.00 0.00 55.36 56.60 1nb5 s GLN 53 Cb -0.01 0.51 -0.04 0.00 1.10 0.00 0.00 33.01 34.57 1nb5 s GLN 53 CO 0.13 -0.21 1.04 0.08 -0.55 0.00 0.00 175.29 175.78 1nb5 s VAL 54 N 2.54 4.55 0.00 1.34 1.01 -1.26 -0.54 120.40 128.04 1nb5 s VAL 54 Ca -0.05 1.87 0.00 0.00 0.00 0.00 0.00 61.98 63.80 1nb5 s VAL 54 Cb -0.11 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1nb5 s VAL 54 CO -0.16 0.17 0.00 1.33 0.00 0.00 0.00 175.10 176.44 1nb5 n VAL 55 N 3.72 0.00 -0.93 2.92 0.24 -1.26 -4.88 118.33 118.15 1nb5 n VAL 55 Ca 0.06 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.23 1nb5 n VAL 55 Cb 0.49 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.72 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 5.96 0.00 2.33 0.00 -1.26 -4.59 120.51 119.95 1nb5 n ALA 56 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 53.44 51.66 1nb5 n ALA 56 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.06 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 2.63 -0.37 2.93 0.00 0.00 -1.26 -4.19 105.19 104.93 1nb5 n GLY 57 Ca 0.42 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.03 -0.16 2.61 2.01 -0.26 -4.51 115.64 111.29 1nb5 s THR 58 Ca 0.00 0.12 -0.07 0.00 0.31 0.00 0.00 61.69 62.06 1nb5 s THR 58 Cb 0.00 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 1nb5 s THR 58 CO 0.00 0.05 0.06 0.20 -0.69 0.00 0.00 174.62 174.24 1nb5 s ASN 59 N 0.79 5.67 -0.14 3.53 0.01 0.30 -0.74 114.94 124.35 1nb5 s ASN 59 Ca -0.06 0.13 -0.04 0.00 -0.71 0.00 0.00 52.86 52.18 1nb5 s ASN 59 Cb -0.08 -1.92 -0.03 0.00 0.41 0.00 0.00 41.25 39.63 1nb5 s ASN 59 CO -0.04 0.22 0.00 -0.31 -1.51 0.00 0.00 177.10 175.47 1nb5 s TYR 60 N 0.07 3.13 -0.51 2.20 2.02 0.18 -2.13 117.35 122.30 1nb5 s TYR 60 Ca 0.05 -0.04 0.04 0.00 -0.37 0.00 0.00 57.07 56.75 1nb5 s TYR 60 Cb -0.12 -1.93 0.13 0.00 -0.40 0.00 0.00 41.96 39.64 1nb5 s TYR 60 CO 0.01 0.18 0.25 0.71 -1.57 0.00 0.00 175.55 175.13 1nb5 s TYR 61 N -0.06 3.16 -0.09 2.71 1.51 -0.53 -0.91 117.35 123.14 1nb5 s TYR 61 Ca 0.03 -3.15 -0.03 0.00 -1.01 0.00 0.00 57.07 52.91 1nb5 s TYR 61 Cb -0.13 -2.79 -0.04 0.00 -0.11 0.00 0.00 41.96 38.89 1nb5 s TYR 61 CO 0.02 -0.75 0.05 0.42 -1.11 0.00 0.00 175.55 174.18 1nb5 s ILE 62 N -0.24 4.69 -0.72 2.71 1.01 -0.63 -0.65 121.20 127.37 1nb5 s ILE 62 Ca 0.17 -0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.58 1nb5 s ILE 62 Cb -0.26 -3.01 0.19 0.00 0.01 0.00 0.00 42.46 39.39 1nb5 s ILE 62 CO -0.00 0.59 0.63 -0.75 0.00 0.00 0.00 174.94 175.41 1nb5 s LYS 63 N -0.98 3.23 -0.21 2.79 2.20 0.71 -0.88 119.74 126.59 1nb5 s LYS 63 Ca 0.14 -2.31 -0.14 0.00 -0.36 0.00 0.00 55.97 53.31 1nb5 s LYS 63 Cb -0.12 -4.24 -0.04 0.00 -1.51 0.00 0.00 37.83 31.92 1nb5 s LYS 63 CO 0.03 -1.27 0.31 0.08 -0.36 0.00 0.00 175.35 174.15 1nb5 s VAL 64 N 0.43 5.26 -0.69 4.02 1.01 -0.37 -1.04 120.40 129.03 1nb5 s VAL 64 Ca 0.14 0.52 -0.25 0.00 0.00 0.00 0.00 61.98 62.39 1nb5 s VAL 64 Cb -0.16 -3.64 0.05 0.00 0.00 0.00 0.00 36.38 32.62 1nb5 s VAL 64 CO -0.05 0.30 1.13 -0.60 0.00 0.00 0.00 175.10 175.87 1nb5 s ARG 65 N 1.13 3.19 0.00 2.72 3.52 0.34 -1.09 118.95 128.76 1nb5 s ARG 65 Ca 0.15 -0.44 0.16 0.00 -0.13 0.00 0.00 55.73 55.47 1nb5 s ARG 65 Cb -0.14 -4.18 0.21 0.00 -1.56 0.00 0.00 34.95 29.28 1nb5 s ARG 65 CO 0.06 -1.95 1.11 0.00 -0.81 0.00 0.00 175.30 173.71 1nb5 n ALA 66 N 8.56 2.42 -1.97 6.12 0.00 -1.24 0.13 120.51 134.53 1nb5 n ALA 66 Ca 0.01 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1nb5 n ALA 66 Cb 0.48 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 0.95 1.04 1.77 0.00 0.00 -1.25 -4.06 105.19 103.64 1nb5 n GLY 67 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1nb5 n GLY 67 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nb5 n ASP 68 N 0.00 0.00 -2.54 1.61 4.64 -1.26 -4.89 116.55 114.11 1nb5 n ASP 68 Ca 0.00 0.00 -0.31 0.00 -1.38 0.00 0.00 54.79 53.10 1nb5 n ASP 68 Cb 0.00 0.28 0.02 0.00 -1.04 0.00 0.00 41.12 40.38 1nb5 n ASP 68 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1nb5 n ASN 92 N -2.33 5.70 -3.73 1.67 5.15 -1.26 -4.95 115.26 115.52 1nb5 n ASN 92 Ca 0.00 -3.76 -0.12 0.00 -0.60 0.00 0.00 54.58 50.10 1nb5 n ASN 92 Cb 0.00 -0.65 -0.12 0.00 -0.53 0.00 0.00 39.78 38.48 1nb5 n ASN 92 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1nb5 s LYS 93 N -3.71 0.29 0.04 1.20 2.20 -1.26 -5.02 119.74 113.47 1nb5 s LYS 93 Ca 0.50 0.56 0.09 0.00 -0.36 0.00 0.00 55.97 56.76 1nb5 s LYS 93 Cb 0.42 -0.02 -0.03 0.00 -1.51 0.00 0.00 37.83 36.69 1nb5 s LYS 93 CO -0.22 -0.13 -0.26 0.71 -0.36 0.00 0.00 175.35 175.10 1nb5 s TYR 94 N 1.00 2.35 0.21 4.03 2.02 -0.43 -3.69 117.35 122.83 1nb5 s TYR 94 Ca -0.07 -0.40 0.11 0.00 -0.37 0.00 0.00 57.07 56.34 1nb5 s TYR 94 Cb -0.08 -1.40 -0.04 0.00 -0.40 0.00 0.00 41.96 40.04 1nb5 s TYR 94 CO -0.07 0.14 -0.19 -1.64 -1.57 0.00 0.00 175.55 172.21 1nb5 s MET 95 N -1.26 1.69 -0.26 -0.62 -1.94 -0.25 0.72 119.30 117.38 1nb5 s MET 95 Ca 0.12 -1.50 0.02 0.00 -1.71 0.00 0.00 55.69 52.62 1nb5 s MET 95 Cb -0.10 -1.91 0.07 0.00 2.01 0.00 0.00 34.83 34.89 1nb5 s MET 95 CO 0.02 0.40 -0.04 -1.01 -0.01 0.00 0.00 175.02 174.37 1nb5 s HIS 96 N -1.83 2.81 0.30 -0.03 3.76 -0.87 -1.24 115.29 118.19 1nb5 s HIS 96 Ca 0.23 -2.11 0.01 0.00 -0.15 0.00 0.00 55.06 53.04 1nb5 s HIS 96 Cb -0.08 -1.89 -0.04 0.00 1.11 0.00 0.00 32.58 31.69 1nb5 s HIS 96 CO 0.12 -0.84 0.49 -0.51 -0.85 0.00 0.00 174.74 173.15 1nb5 s LEU 97 N 1.25 4.10 -0.12 0.89 1.02 -0.06 -0.23 118.68 125.54 1nb5 s LEU 97 Ca -0.03 0.40 -0.03 0.00 0.02 0.00 0.00 54.13 54.49 1nb5 s LEU 97 Cb -0.19 -3.23 0.04 0.00 0.02 0.00 0.00 46.19 42.83 1nb5 s LEU 97 CO -0.07 -0.20 0.05 -0.75 0.02 0.00 0.00 176.35 175.39 1nb5 s LYS 98 N -4.02 0.32 0.10 1.70 2.20 -0.00 -1.61 119.74 118.43 1nb5 s LYS 98 Ca 0.39 -0.01 0.10 0.00 -0.36 0.00 0.00 55.97 56.09 1nb5 s LYS 98 Cb -0.10 -1.37 -0.04 0.00 -1.51 0.00 0.00 37.83 34.81 1nb5 s LYS 98 CO 0.33 -0.49 -0.25 0.08 -0.36 0.00 0.00 175.35 174.67 1nb5 s VAL 99 N 2.04 2.37 -0.20 4.02 1.01 -0.09 0.31 120.40 129.86 1nb5 s VAL 99 Ca 0.03 -1.60 -0.00 0.00 0.00 0.00 0.00 61.98 60.41 1nb5 s VAL 99 Cb -0.14 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.23 1nb5 s VAL 99 CO -0.06 0.17 -0.14 0.12 0.00 0.00 0.00 175.10 175.19 1nb5 s PHE 100 N -1.01 2.89 -0.26 5.22 2.19 -0.21 0.47 117.98 127.28 1nb5 s PHE 100 Ca 0.14 -1.52 -0.11 0.00 0.33 0.00 0.00 56.93 55.78 1nb5 s PHE 100 Cb -0.10 -1.98 -0.05 0.00 -1.31 0.00 0.00 43.02 39.58 1nb5 s PHE 100 CO 0.06 -0.74 0.17 0.21 1.83 0.00 0.00 175.22 176.74 1nb5 s LYS 101 N 1.33 4.01 0.98 10.12 2.20 0.08 -2.42 119.74 136.03 1nb5 s LYS 101 Ca 0.04 -0.30 -0.12 0.00 -0.36 0.00 0.00 55.97 55.23 1nb5 s LYS 101 Cb -0.14 -3.58 0.18 0.00 -1.51 0.00 0.00 37.83 32.78 1nb5 s LYS 101 CO -0.09 -0.04 1.09 -1.12 -0.36 0.00 0.00 175.35 174.83 1nb5 s SER 102 N 1.36 2.78 0.45 1.43 0.01 -1.26 -1.11 113.70 117.35 1nb5 s SER 102 Ca 0.07 1.25 -0.23 0.00 1.31 0.00 0.00 55.95 58.35 1nb5 s SER 102 Cb -0.15 -1.92 -0.08 0.00 0.21 0.00 0.00 66.02 64.09 1nb5 s SER 102 CO 0.07 -3.05 1.14 -0.76 0.41 0.00 0.00 173.24 171.06 1nb5 s LEU 102 N -6.42 4.03 0.00 2.44 1.43 -1.26 -4.74 118.68 114.16 1nb5 s LEU 102 Ca 0.65 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 56.00 1nb5 s LEU 102 Cb -0.18 -4.24 0.00 0.00 0.03 0.00 0.00 46.19 41.79 1nb5 s LEU 102 CO 0.57 -0.84 0.30 -2.65 0.23 0.00 0.00 176.35 173.96 1nb5 n PRO 103 N -0.44 0.00 0.00 1.29 -0.02 -1.26 -2.23 135.00 132.35 1nb5 n PRO 103 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1nb5 n PRO 103 Cb 0.48 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 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 -0.78 0.40 0.72 -1.23 0.00 -1.26 -4.73 105.19 98.31 1nb5 n GLY 104 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1nb5 n GLY 104 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nb5 n GLN 105 N -1.06 1.91 0.00 1.61 3.00 -0.94 -5.06 117.38 116.83 1nb5 n GLN 105 Ca 0.00 -1.40 0.00 0.00 -0.01 0.00 0.00 57.00 55.59 1nb5 n GLN 105 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 30.24 28.91 1nb5 n GLN 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1nb5 n ASN 105 N 0.63 -4.64 -0.61 1.08 4.13 -1.26 -4.99 115.26 109.61 1nb5 n ASN 105 Ca 0.14 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.48 1nb5 n ASN 105 Cb 0.34 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.55 1nb5 n ASN 105 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1nb5 n GLU 106 N -1.38 -1.34 -1.76 3.52 2.13 -1.26 -4.77 120.64 115.77 1nb5 n GLU 106 Ca 0.00 1.03 -0.01 0.00 0.66 0.00 0.00 57.16 58.84 1nb5 n GLU 106 Cb 0.00 -1.59 -0.00 0.00 0.27 0.00 0.00 31.44 30.11 1nb5 n GLU 106 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1nb5 n ASP 107 N -3.19 1.37 -4.65 4.31 5.68 -1.26 -4.77 116.55 114.03 1nb5 n ASP 107 Ca -0.02 -1.10 -0.43 0.00 -0.50 0.00 0.00 54.79 52.74 1nb5 n ASP 107 Cb 0.29 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.24 1nb5 n ASP 107 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1nb5 s LEU 108 N 0.00 4.20 -0.19 -2.12 1.02 -1.26 -4.53 118.68 115.79 1nb5 s LEU 108 Ca 0.01 1.94 -0.04 0.00 0.02 0.00 0.00 54.13 56.06 1nb5 s LEU 108 Cb -0.00 -3.53 -0.02 0.00 0.02 0.00 0.00 46.19 42.65 1nb5 s LEU 108 CO 0.01 -0.93 -0.02 -0.69 0.02 0.00 0.00 176.35 174.74 1nb5 s VAL 109 N 4.07 3.84 -0.47 -1.59 1.01 -1.02 -4.90 120.40 121.35 1nb5 s VAL 109 Ca 0.67 -0.36 -0.28 0.00 0.00 0.00 0.00 61.98 62.01 1nb5 s VAL 109 Cb -0.28 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 1nb5 s VAL 109 CO 0.25 0.44 1.67 -0.22 0.00 0.00 0.00 175.10 177.24 1nb5 s LEU 110 N 0.90 3.44 0.15 3.92 2.96 -1.26 -1.04 118.68 127.75 1nb5 s LEU 110 Ca 0.00 0.76 0.25 0.00 -0.22 0.00 0.00 54.13 54.92 1nb5 s LEU 110 Cb -0.14 -3.16 0.58 0.00 0.50 0.00 0.00 46.19 43.96 1nb5 s LEU 110 CO 0.02 -1.84 1.54 0.35 -1.32 0.00 0.00 176.35 175.10 1nb5 n THR 111 N 7.19 0.45 0.00 3.68 -2.24 0.15 -4.98 114.28 118.53 1nb5 n THR 111 Ca 0.19 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1nb5 n THR 111 Cb 0.49 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 1nb5 n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nb5 n GLY 112 N 1.33 0.74 3.42 3.38 0.00 -1.03 -5.00 105.19 108.03 1nb5 n GLY 112 Ca 0.04 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 1nb5 n GLY 112 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nb5 s TYR 113 N -2.00 -0.51 -0.24 1.61 -0.85 -1.26 -0.82 117.35 113.28 1nb5 s TYR 113 Ca 0.00 1.06 0.01 0.00 -0.52 0.00 0.00 57.07 57.62 1nb5 s TYR 113 Cb 0.00 0.24 0.04 0.00 0.38 0.00 0.00 41.96 42.62 1nb5 s TYR 113 CO 0.00 -0.42 -0.12 -0.65 -1.52 0.00 0.00 175.55 172.84 1nb5 s GLN 114 N -0.59 2.62 0.60 -3.49 -0.21 0.69 -4.98 119.66 114.29 1nb5 s GLN 114 Ca -0.07 -1.10 -0.14 0.00 0.02 0.00 0.00 55.36 54.07 1nb5 s GLN 114 Cb -0.03 -2.84 -0.04 0.00 1.00 0.00 0.00 33.01 31.10 1nb5 s GLN 114 CO 0.05 -0.43 1.03 0.14 -2.12 0.00 0.00 175.29 173.96 1nb5 s VAL 115 N 1.22 4.24 -0.30 1.09 -7.23 -1.26 -2.05 120.40 116.11 1nb5 s VAL 115 Ca -0.02 0.92 -0.08 0.00 -1.81 0.00 0.00 61.98 60.99 1nb5 s VAL 115 Cb -0.17 -3.58 0.01 0.00 0.56 0.00 0.00 36.38 33.20 1nb5 s VAL 115 CO -0.07 -0.76 0.22 0.47 -0.31 0.00 0.00 175.10 174.65 1nb5 n ASP 115 N -2.28 -7.50 -4.01 4.85 8.00 -1.25 -4.97 116.55 109.39 1nb5 n ASP 115 Ca 0.07 0.86 -0.23 0.00 0.71 0.00 0.00 54.79 56.20 1nb5 n ASP 115 Cb 0.54 -4.28 -0.16 0.00 -0.02 0.00 0.00 41.12 37.19 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 -1.85 1.47 0.76 -1.24 -0.14 0.22 -4.99 119.74 113.97 1nb5 s LYS 116 Ca 0.10 -0.36 -0.11 0.00 -1.36 0.00 0.00 55.97 54.24 1nb5 s LYS 116 Cb -0.02 -1.25 0.05 0.00 -1.68 0.00 0.00 37.83 34.93 1nb5 s LYS 116 CO 0.65 0.04 1.10 -0.80 -0.76 0.00 0.00 175.35 175.57 1nb5 s ASN 117 N 0.59 4.53 0.26 2.83 -0.87 -1.26 -1.32 114.94 119.70 1nb5 s ASN 117 Ca -0.12 1.87 -0.01 0.00 -1.57 0.00 0.00 52.86 53.03 1nb5 s ASN 117 Cb -0.14 -2.53 0.34 0.00 -0.02 0.00 0.00 41.25 38.90 1nb5 s ASN 117 CO 0.03 -2.02 1.73 0.50 -2.57 0.00 0.00 177.10 174.77 1nb5 h LYS 118 N -0.98 0.70 0.00 -0.60 3.64 -1.95 -3.02 116.57 114.36 1nb5 h LYS 118 Ca -0.44 -0.22 -0.16 0.00 -1.27 0.00 0.00 60.65 58.56 1nb5 h LYS 118 Cb 1.24 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 1nb5 h LYS 118 CO 0.51 0.79 -0.78 0.22 -2.27 0.00 0.00 179.45 177.92 1nb5 h ASP 119 N 0.63 0.00 -0.83 4.20 3.58 -2.04 -3.47 116.42 118.49 1nb5 h ASP 119 Ca 0.11 0.00 -0.70 0.00 0.42 0.00 0.00 57.03 56.86 1nb5 h ASP 119 Cb 0.56 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.63 1nb5 h ASP 119 CO 0.03 0.78 0.39 0.47 -2.88 0.00 0.00 179.24 178.04 1nb5 n ASP 120 N -3.53 0.66 -4.76 2.28 9.92 -1.14 -4.87 116.55 115.11 1nb5 n ASP 120 Ca -0.00 0.97 -0.41 0.00 -0.53 0.00 0.00 54.79 54.82 1nb5 n ASP 120 Cb 0.77 -0.74 -0.02 0.00 -0.64 0.00 0.00 41.12 40.50 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 1.63 4.25 0.09 -1.24 2.56 -1.26 -4.96 118.70 119.77 1nb5 s GLU 121 Ca 0.83 2.35 -0.29 0.00 0.00 0.00 0.00 54.97 57.86 1nb5 s GLU 121 Cb -1.17 -3.07 -0.06 0.00 2.00 0.00 0.00 34.13 31.83 1nb5 s GLU 121 CO 0.61 -0.41 0.92 -0.51 -0.56 0.00 0.00 175.26 175.31 1nb5 s LEU 122 N -0.91 4.48 0.32 2.70 1.43 -1.26 -5.04 118.68 120.40 1nb5 s LEU 122 Ca 0.57 1.71 0.03 0.00 -1.03 0.00 0.00 54.13 55.41 1nb5 s LEU 122 Cb -0.43 -3.51 -0.06 0.00 0.03 0.00 0.00 46.19 42.22 1nb5 s LEU 122 CO 0.48 -0.06 0.07 0.42 0.23 0.00 0.00 176.35 177.50 1nb5 s THR 123 N 0.04 1.02 0.83 5.49 -4.23 -1.26 -5.07 115.64 112.46 1nb5 s THR 123 Ca 0.45 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.85 1nb5 s THR 123 Cb -0.23 -2.72 0.09 0.00 1.34 0.00 0.00 72.50 70.98 1nb5 s THR 123 CO 0.28 0.00 1.12 -0.83 -0.54 0.00 0.00 174.62 174.66 1nb5 s GLY 124 N -3.47 1.60 0.00 3.99 0.00 -1.26 -5.02 107.32 103.16 1nb5 s GLY 124 Ca 0.36 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.67 1nb5 s GLY 124 CO 0.15 0.07 0.00 1.97 0.00 0.00 0.00 173.10 175.29