#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nb3 s ILE 7 N 0.00 2.23 0.06 1.12 -0.00 -1.26 -5.06 121.20 118.29 1nb3 s ILE 7 Ca 0.00 -2.20 -0.32 0.00 -0.00 0.00 0.00 60.65 58.14 1nb3 s ILE 7 Cb 0.00 -2.14 -0.11 0.00 -0.00 0.00 0.00 42.46 40.21 1nb3 s ILE 7 CO 0.00 -0.33 1.85 -2.65 -0.00 0.00 0.00 174.94 173.81 1nb3 n PRO 8 N -0.19 2.61 -0.55 0.37 -0.02 -1.26 -1.33 135.00 134.63 1nb3 n PRO 8 Ca -0.09 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1nb3 n PRO 8 Cb 0.58 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 1nb3 n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nb3 n GLY 9 N 4.25 0.75 4.01 -1.23 0.00 -1.26 -5.06 105.19 106.65 1nb3 n GLY 9 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 1nb3 n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nb3 s GLY 10 N -1.80 1.76 0.31 -0.02 0.00 -0.44 -4.83 107.32 102.29 1nb3 s GLY 10 Ca 0.00 -1.89 -0.21 0.00 0.00 0.00 0.00 44.72 42.61 1nb3 s GLY 10 CO 0.00 -1.42 0.84 1.08 0.00 0.00 0.00 173.10 173.60 1nb3 s LEU 11 N -4.84 4.23 0.96 0.66 1.43 -1.26 -4.45 118.68 115.40 1nb3 s LEU 11 Ca 0.63 1.59 -0.14 0.00 -1.03 0.00 0.00 54.13 55.17 1nb3 s LEU 11 Cb -0.06 -3.98 0.17 0.00 0.03 0.00 0.00 46.19 42.35 1nb3 s LEU 11 CO 0.41 -0.11 1.19 -0.94 0.23 0.00 0.00 176.35 177.13 1nb3 s SER 12 N -1.83 3.10 0.65 2.29 1.04 0.18 -4.91 113.70 114.23 1nb3 s SER 12 Ca 0.51 0.68 -0.16 0.00 0.48 0.00 0.00 55.95 57.45 1nb3 s SER 12 Cb -0.15 -1.03 -0.00 0.00 0.10 0.00 0.00 66.02 64.94 1nb3 s SER 12 CO 0.20 -2.78 1.15 -0.70 0.98 0.00 0.00 173.24 172.09 1nb3 s GLU 13 N -5.52 2.73 -0.00 4.02 2.12 -1.26 -4.57 118.70 116.22 1nb3 s GLU 13 Ca 0.68 1.56 -0.30 0.00 0.36 0.00 0.00 54.97 57.27 1nb3 s GLU 13 Cb -0.10 -1.93 -0.06 0.00 0.26 0.00 0.00 34.13 32.31 1nb3 s GLU 13 CO 0.53 -1.33 1.42 0.00 -0.54 0.00 0.00 175.26 175.34 1nb3 s ALA 14 N -2.08 3.59 0.29 6.30 0.00 -1.26 -4.64 121.76 123.95 1nb3 s ALA 14 Ca 0.71 0.89 0.08 0.00 0.00 0.00 0.00 51.96 53.64 1nb3 s ALA 14 Cb -0.24 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.23 1nb3 s ALA 14 CO 0.39 -0.95 0.15 0.15 0.00 0.00 0.00 175.76 175.51 1nb3 s LYS 15 N 2.50 2.61 0.49 0.00 3.01 0.13 -4.91 119.74 123.56 1nb3 s LYS 15 Ca 0.64 -1.30 -0.05 0.00 -1.01 0.00 0.00 55.97 54.25 1nb3 s LYS 15 Cb -0.32 -2.36 -0.04 0.00 -1.01 0.00 0.00 37.83 34.10 1nb3 s LYS 15 CO 0.27 0.27 0.80 -2.14 0.51 0.00 0.00 175.35 175.06 1nb3 s PRO 16 N -3.83 3.54 0.11 -1.68 0.02 -1.26 0.17 135.00 132.07 1nb3 s PRO 16 Ca 0.35 0.23 -0.35 0.00 0.02 0.00 0.00 61.00 61.25 1nb3 s PRO 16 Cb -0.06 -2.36 -0.15 0.00 0.02 0.00 0.00 34.50 31.95 1nb3 s PRO 16 CO 0.23 -0.23 1.51 0.00 -0.33 0.00 0.00 177.00 178.19 1nb3 n ALA 17 N -2.29 0.49 -2.75 -1.55 0.00 -0.46 -4.68 120.51 109.27 1nb3 n ALA 17 Ca 0.01 0.46 -0.33 0.00 0.00 0.00 0.00 53.44 53.58 1nb3 n ALA 17 Cb 0.55 -2.26 -0.14 0.00 0.00 0.00 0.00 19.45 17.60 1nb3 n ALA 17 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1nb3 s THR 18 N 0.97 2.96 0.62 0.00 -4.23 -1.26 -4.99 115.64 109.70 1nb3 s THR 18 Ca 0.82 -0.73 0.19 0.00 -1.18 0.00 0.00 61.69 60.79 1nb3 s THR 18 Cb -0.78 -2.19 0.29 0.00 1.34 0.00 0.00 72.50 71.15 1nb3 s THR 18 CO 0.42 0.56 1.21 -2.65 -0.54 0.00 0.00 174.62 173.63 1nb3 n PRO 19 N 2.87 0.02 0.01 3.99 -0.02 -1.26 0.28 135.00 140.89 1nb3 n PRO 19 Ca -0.18 1.00 -0.13 0.00 -2.02 0.00 0.00 63.50 62.17 1nb3 n PRO 19 Cb 0.52 -2.54 -0.09 0.00 -0.02 0.00 0.00 33.50 31.37 1nb3 n PRO 19 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1nb3 h GLU 20 N 0.00 -0.04 -0.15 -0.52 4.81 -1.98 -1.56 114.58 115.14 1nb3 h GLU 20 Ca 0.36 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.60 1nb3 h GLU 20 Cb 2.68 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 32.06 1nb3 h GLU 20 CO -0.00 0.34 0.08 0.82 -0.73 0.00 0.00 179.01 179.52 1nb3 h ILE 21 N -0.42 1.01 -0.44 2.32 1.08 0.37 -0.96 117.51 120.46 1nb3 h ILE 21 Ca -0.00 -0.06 0.08 0.00 -0.39 0.00 0.00 64.86 64.49 1nb3 h ILE 21 Cb 0.40 0.82 -0.07 0.00 -3.07 0.00 0.00 36.82 34.90 1nb3 h ILE 21 CO 0.01 0.03 0.03 -0.61 -0.69 0.00 0.00 178.15 176.92 1nb3 h GLN 22 N 0.17 0.14 -1.00 2.37 5.75 -1.40 0.95 115.11 122.09 1nb3 h GLN 22 Ca 0.06 -0.01 0.18 0.00 -0.15 0.00 0.00 58.65 58.73 1nb3 h GLN 22 Cb 0.00 -0.03 -0.10 0.00 1.07 0.00 0.00 27.48 28.42 1nb3 h GLN 22 CO -0.03 0.09 0.62 1.49 -2.65 0.00 0.00 178.83 178.34 1nb3 h GLU 23 N 0.15 0.79 0.19 1.69 4.22 -0.17 0.64 114.58 122.09 1nb3 h GLU 23 Ca 0.22 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.61 1nb3 h GLU 23 Cb 0.31 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1nb3 h GLU 23 CO -0.34 0.52 -0.16 0.82 -2.18 0.00 0.00 179.01 177.68 1nb3 h ILE 24 N 0.81 0.66 0.12 2.32 2.04 0.35 -1.13 117.51 122.68 1nb3 h ILE 24 Ca 0.56 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.44 1nb3 h ILE 24 Cb 0.81 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 1nb3 h ILE 24 CO -0.36 0.00 -0.49 0.58 0.00 0.00 0.00 178.15 177.88 1nb3 h VAL 25 N -0.36 0.06 -0.02 1.67 2.07 0.16 -2.25 116.25 117.57 1nb3 h VAL 25 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1nb3 h VAL 25 Cb 0.33 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.11 1nb3 h VAL 25 CO -0.02 0.00 -0.49 0.44 0.02 0.00 0.00 177.57 177.52 1nb3 h ASP 26 N -0.72 -1.51 -1.05 0.57 3.45 -0.29 0.41 116.42 117.28 1nb3 h ASP 26 Ca 0.01 0.17 0.31 0.00 0.43 0.00 0.00 57.03 57.94 1nb3 h ASP 26 Cb 0.74 0.58 -0.04 0.00 -0.56 0.00 0.00 39.33 40.04 1nb3 h ASP 26 CO -0.27 -0.47 0.86 0.50 -1.57 0.00 0.00 179.24 178.29 1nb3 h LYS 27 N -0.59 0.00 0.00 3.56 3.64 -1.06 0.78 116.57 122.89 1nb3 h LYS 27 Ca 0.01 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1nb3 h LYS 27 Cb 0.65 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1nb3 h LYS 27 CO -0.34 0.00 -1.36 0.28 -2.27 0.00 0.00 179.45 175.76 1nb3 n VAL 28 N -3.93 0.57 -0.22 2.00 0.31 -0.24 -4.41 118.33 112.41 1nb3 n VAL 28 Ca 0.23 -0.57 0.02 0.00 -0.01 0.00 0.00 64.34 64.01 1nb3 n VAL 28 Cb 1.21 -0.31 0.12 0.00 -0.91 0.00 0.00 33.84 33.95 1nb3 n VAL 28 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1nb3 h LYS 29 N 0.00 0.15 -0.76 5.55 3.64 0.12 -0.67 116.57 124.60 1nb3 h LYS 29 Ca -0.04 -0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.51 1nb3 h LYS 29 Cb 1.13 -0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 32.79 1nb3 h LYS 29 CO 0.01 0.10 0.07 -1.35 -2.27 0.00 0.00 179.45 176.00 1nb3 h PRO 30 N 0.15 0.14 -0.27 1.90 0.11 -1.77 0.25 132.00 132.51 1nb3 h PRO 30 Ca 0.35 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.38 1nb3 h PRO 30 Cb 0.58 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 1nb3 h PRO 30 CO -0.54 0.10 -0.14 1.96 -0.21 0.00 0.00 178.00 179.16 1nb3 h GLN 31 N 0.15 0.47 -0.82 1.05 4.20 -1.42 0.03 115.11 118.77 1nb3 h GLN 31 Ca 0.43 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 1nb3 h GLN 31 Cb 0.77 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.46 1nb3 h GLN 31 CO -0.63 0.60 0.46 1.25 -0.67 0.00 0.00 178.83 179.84 1nb3 h LEU 32 N 0.43 1.02 -0.18 1.46 6.46 0.19 -2.95 115.31 121.73 1nb3 h LEU 32 Ca 0.08 -0.09 -0.13 0.00 -0.12 0.00 0.00 57.88 57.62 1nb3 h LEU 32 Cb 0.51 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.18 1nb3 h LEU 32 CO 0.03 0.82 -0.39 -0.33 -0.62 0.00 0.00 178.44 177.95 1nb3 h GLU 33 N 1.14 0.59 -1.83 1.25 5.08 -1.15 0.38 114.58 120.04 1nb3 h GLU 33 Ca 0.29 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1nb3 h GLU 33 Cb 0.02 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1nb3 h GLU 33 CO -0.05 1.00 0.00 0.39 -1.00 0.00 0.00 179.01 179.36 1nb3 n GLU 34 N -4.27 0.78 0.00 2.33 1.02 -0.02 0.16 120.64 120.65 1nb3 n GLU 34 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1nb3 n GLU 34 Cb 0.53 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 1nb3 n GLU 34 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1nb3 n LYS 35 N 1.39 0.00 0.00 3.49 5.02 -1.16 -4.83 118.16 122.07 1nb3 n LYS 35 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1nb3 n LYS 35 Cb 0.39 -0.03 0.19 0.00 -0.02 0.00 0.00 35.03 35.57 1nb3 n LYS 35 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1nb3 n THR 36 N -1.96 0.00 -0.93 -0.18 -2.24 0.11 -4.90 114.28 104.17 1nb3 n THR 36 Ca 0.00 -0.03 -0.03 0.00 -2.27 0.00 0.00 64.05 61.73 1nb3 n THR 36 Cb 0.00 0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 68.66 1nb3 n THR 36 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1nb3 n ASN 37 N -1.34 -4.95 -2.45 3.42 5.15 0.42 -4.89 115.26 110.62 1nb3 n ASN 37 Ca 0.06 0.06 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 1nb3 n ASN 37 Cb 0.34 -3.17 0.00 0.00 -0.53 0.00 0.00 39.78 36.42 1nb3 n ASN 37 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1nb3 n GLU 38 N 0.41 1.49 -3.15 1.20 2.13 -1.23 -4.98 120.64 116.51 1nb3 n GLU 38 Ca -0.03 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.83 1nb3 n GLU 38 Cb 0.44 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.15 1nb3 n GLU 38 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1nb3 s THR 39 N 0.38 -0.85 0.70 6.31 2.01 -1.26 -4.72 115.64 118.20 1nb3 s THR 39 Ca 0.00 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.94 1nb3 s THR 39 Cb 0.00 -0.76 0.06 0.00 0.01 0.00 0.00 72.50 71.81 1nb3 s THR 39 CO 0.00 0.00 1.00 -0.31 -0.69 0.00 0.00 174.62 174.62 1nb3 s TYR 40 N 2.76 2.85 0.00 4.92 2.02 -1.26 -5.08 117.35 123.55 1nb3 s TYR 40 Ca 0.14 0.37 0.00 0.00 -0.37 0.00 0.00 57.07 57.21 1nb3 s TYR 40 Cb -0.08 -3.17 0.00 0.00 -0.40 0.00 0.00 41.96 38.32 1nb3 s TYR 40 CO -0.24 -1.39 0.00 0.41 -1.57 0.00 0.00 175.55 172.76 1nb3 n GLY 43 N -2.88 0.78 3.48 0.71 0.00 -1.26 -4.92 105.19 101.10 1nb3 n GLY 43 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1nb3 n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nb3 s LYS 44 N 1.39 3.20 -0.09 1.61 -2.85 -1.26 -5.02 119.74 116.73 1nb3 s LYS 44 Ca 0.00 -0.64 -0.25 0.00 -1.00 0.00 0.00 55.97 54.08 1nb3 s LYS 44 Cb 0.00 -4.06 -0.03 0.00 -2.06 0.00 0.00 37.83 31.68 1nb3 s LYS 44 CO 0.00 -1.25 0.78 -0.51 0.10 0.00 0.00 175.35 174.47 1nb3 s LEU 45 N 3.00 4.28 -0.20 2.77 1.43 -1.26 -3.97 118.68 124.73 1nb3 s LEU 45 Ca 0.20 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.57 1nb3 s LEU 45 Cb -0.17 -3.21 0.02 0.00 0.03 0.00 0.00 46.19 42.87 1nb3 s LEU 45 CO 0.15 -0.22 -0.15 -0.70 0.23 0.00 0.00 176.35 175.66 1nb3 s GLU 46 N 1.23 2.92 0.09 1.70 2.12 -0.75 -4.86 118.70 121.15 1nb3 s GLU 46 Ca 0.40 -0.89 -0.31 0.00 0.36 0.00 0.00 54.97 54.53 1nb3 s GLU 46 Cb -0.18 -2.72 -0.08 0.00 0.26 0.00 0.00 34.13 31.41 1nb3 s GLU 46 CO 0.18 -0.28 1.44 0.00 -0.54 0.00 0.00 175.26 176.06 1nb3 s ALA 47 N 1.29 3.62 0.00 6.30 0.00 -1.26 -0.79 121.76 130.92 1nb3 s ALA 47 Ca 0.03 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1nb3 s ALA 47 Cb -0.15 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1nb3 s ALA 47 CO -0.10 -0.73 0.00 0.28 0.00 0.00 0.00 175.76 175.21 1nb3 n VAL 48 N 4.16 0.00 -3.66 0.00 0.31 -0.53 -4.64 118.33 113.98 1nb3 n VAL 48 Ca 0.12 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.31 1nb3 n VAL 48 Cb 0.42 -0.60 -0.07 0.00 -0.91 0.00 0.00 33.84 32.68 1nb3 n VAL 48 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1nb3 s GLN 49 N -1.65 0.86 0.10 5.55 0.74 -1.18 -1.35 119.66 122.72 1nb3 s GLN 49 Ca 0.00 -0.10 -0.14 0.00 0.05 0.00 0.00 55.36 55.17 1nb3 s GLN 49 Cb 0.00 0.39 0.02 0.00 1.10 0.00 0.00 33.01 34.53 1nb3 s GLN 49 CO 0.00 -0.27 0.34 1.52 -0.55 0.00 0.00 175.29 176.33 1nb3 s TYR 50 N -1.60 -0.11 0.04 1.67 1.13 0.13 -0.70 117.35 117.91 1nb3 s TYR 50 Ca -0.11 -0.19 0.04 0.00 -1.41 0.00 0.00 57.07 55.40 1nb3 s TYR 50 Cb -0.02 0.15 -0.02 0.00 -1.10 0.00 0.00 41.96 40.97 1nb3 s TYR 50 CO 0.04 -0.63 -0.11 0.15 -2.51 0.00 0.00 175.55 172.50 1nb3 s LYS 51 N -3.55 0.73 0.10 -3.49 1.02 0.12 0.17 119.74 114.84 1nb3 s LYS 51 Ca 0.02 -0.70 0.07 0.00 0.02 0.00 0.00 55.97 55.38 1nb3 s LYS 51 Cb 0.02 -0.67 -0.04 0.00 -0.52 0.00 0.00 37.83 36.62 1nb3 s LYS 51 CO -0.10 0.16 -0.12 0.99 -0.92 0.00 0.00 175.35 175.35 1nb3 s THR 52 N -0.95 3.21 -0.02 2.17 2.01 -1.26 -2.05 115.64 118.75 1nb3 s THR 52 Ca -0.02 -1.29 0.00 0.00 0.31 0.00 0.00 61.69 60.69 1nb3 s THR 52 Cb -0.08 -2.48 0.02 0.00 0.01 0.00 0.00 72.50 69.97 1nb3 s THR 52 CO 0.01 0.14 -0.00 -1.58 -0.69 0.00 0.00 174.62 172.50 1nb3 s GLN 53 N -2.08 0.19 0.20 4.92 0.74 -1.13 -0.64 119.66 121.85 1nb3 s GLN 53 Ca 0.20 0.03 -0.26 0.00 0.05 0.00 0.00 55.36 55.38 1nb3 s GLN 53 Cb -0.11 -0.31 -0.08 0.00 1.10 0.00 0.00 33.01 33.60 1nb3 s GLN 53 CO 0.12 -0.07 0.82 0.08 -0.55 0.00 0.00 175.29 175.69 1nb3 s VAL 54 N 0.59 4.30 0.00 1.34 1.01 -1.26 -1.72 120.40 124.66 1nb3 s VAL 54 Ca -0.06 1.76 0.00 0.00 0.00 0.00 0.00 61.98 63.69 1nb3 s VAL 54 Cb -0.08 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1nb3 s VAL 54 CO -0.01 0.46 0.00 1.33 0.00 0.00 0.00 175.10 176.88 1nb3 n VAL 55 N 1.41 0.00 -0.00 2.92 0.24 -1.26 -4.69 118.33 116.94 1nb3 n VAL 55 Ca -0.04 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.16 1nb3 n VAL 55 Cb 0.49 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.79 1nb3 n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nb3 h ALA 56 N 1.73 -0.74 -3.00 2.33 0.00 -1.96 -3.43 119.26 114.20 1nb3 h ALA 56 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1nb3 h ALA 56 Cb 0.00 0.86 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1nb3 h ALA 56 CO 0.00 -0.87 0.00 0.41 0.00 0.00 0.00 179.25 178.79 1nb3 n GLY 57 N -1.28 0.85 2.88 0.00 0.00 -1.26 -4.68 105.19 101.70 1nb3 n GLY 57 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 1nb3 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nb3 s THR 58 N 2.71 0.13 0.04 2.61 2.01 -0.63 -4.68 115.64 117.82 1nb3 s THR 58 Ca 0.00 -0.03 -0.02 0.00 0.31 0.00 0.00 61.69 61.94 1nb3 s THR 58 Cb 0.00 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.33 1nb3 s THR 58 CO 0.00 0.05 0.23 0.20 -0.69 0.00 0.00 174.62 174.41 1nb3 s ASN 59 N 0.16 6.40 -0.33 3.53 0.01 -0.70 0.57 114.94 124.59 1nb3 s ASN 59 Ca -0.01 0.38 -0.01 0.00 -0.71 0.00 0.00 52.86 52.51 1nb3 s ASN 59 Cb -0.03 -2.01 0.11 0.00 0.41 0.00 0.00 41.25 39.73 1nb3 s ASN 59 CO -0.00 0.20 0.13 -0.31 -1.51 0.00 0.00 177.10 175.60 1nb3 s TYR 60 N -1.44 1.51 -0.28 2.20 2.02 0.09 -2.84 117.35 118.62 1nb3 s TYR 60 Ca 0.32 -1.71 -0.23 0.00 -0.37 0.00 0.00 57.07 55.08 1nb3 s TYR 60 Cb -0.13 -1.59 -0.01 0.00 -0.40 0.00 0.00 41.96 39.84 1nb3 s TYR 60 CO 0.23 -0.86 0.76 0.71 -1.57 0.00 0.00 175.55 174.82 1nb3 s TYR 61 N 1.48 3.24 -0.08 2.71 1.51 -0.87 -0.92 117.35 124.43 1nb3 s TYR 61 Ca 0.11 0.88 0.03 0.00 -1.01 0.00 0.00 57.07 57.08 1nb3 s TYR 61 Cb -0.18 -3.09 0.01 0.00 -0.11 0.00 0.00 41.96 38.59 1nb3 s TYR 61 CO -0.22 -0.47 -0.16 0.42 -1.11 0.00 0.00 175.55 174.01 1nb3 s ILE 62 N 2.82 1.43 -0.15 2.71 1.01 0.79 -0.70 121.20 129.11 1nb3 s ILE 62 Ca 0.31 -0.65 -0.25 0.00 0.00 0.00 0.00 60.65 60.06 1nb3 s ILE 62 Cb -0.15 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 1nb3 s ILE 62 CO 0.10 0.42 0.79 -0.75 0.00 0.00 0.00 174.94 175.50 1nb3 s LYS 63 N 0.56 4.32 -0.07 2.79 2.20 0.13 -1.56 119.74 128.11 1nb3 s LYS 63 Ca -0.16 0.95 0.04 0.00 -0.36 0.00 0.00 55.97 56.45 1nb3 s LYS 63 Cb -0.17 -3.55 -0.02 0.00 -1.51 0.00 0.00 37.83 32.59 1nb3 s LYS 63 CO 0.05 -0.24 -0.20 0.08 -0.36 0.00 0.00 175.35 174.68 1nb3 s VAL 64 N 1.86 2.53 -0.32 4.02 1.01 -0.91 -1.45 120.40 127.14 1nb3 s VAL 64 Ca 0.37 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 1nb3 s VAL 64 Cb -0.17 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.25 1nb3 s VAL 64 CO 0.14 0.57 0.13 -0.60 0.00 0.00 0.00 175.10 175.33 1nb3 s ARG 65 N -0.24 3.12 0.28 2.72 3.52 0.03 -1.15 118.95 127.22 1nb3 s ARG 65 Ca -0.00 -0.86 0.09 0.00 -0.13 0.00 0.00 55.73 54.83 1nb3 s ARG 65 Cb -0.13 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 1nb3 s ARG 65 CO 0.03 -0.49 0.06 0.00 -0.81 0.00 0.00 175.30 174.09 1nb3 s ALA 66 N 1.55 3.30 0.00 6.12 0.00 -0.81 -1.81 121.76 130.11 1nb3 s ALA 66 Ca 0.03 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.34 1nb3 s ALA 66 Cb -0.18 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.09 1nb3 s ALA 66 CO 0.05 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.43 1nb3 n GLY 67 N -0.99 1.29 3.61 0.00 0.00 -1.25 -3.18 105.19 104.67 1nb3 n GLY 67 Ca -0.06 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1nb3 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nb3 s ASP 68 N -2.21 6.53 -0.15 1.61 1.11 -1.26 -4.61 116.67 117.68 1nb3 s ASP 68 Ca 0.00 0.52 -0.02 0.00 0.18 0.00 0.00 52.55 53.23 1nb3 s ASP 68 Cb 0.00 -2.34 0.02 0.00 1.07 0.00 0.00 42.92 41.67 1nb3 s ASP 68 CO 0.00 -0.46 0.05 0.59 1.18 0.00 0.00 175.17 176.52 1nb3 n ASN 92 N 5.87 -0.21 -4.76 0.27 5.03 -1.26 -4.88 115.26 115.32 1nb3 n ASN 92 Ca -0.00 -0.07 -0.36 0.00 0.87 0.00 0.00 54.58 55.02 1nb3 n ASN 92 Cb 0.49 -0.19 -0.08 0.00 -1.02 0.00 0.00 39.78 38.98 1nb3 n ASN 92 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1nb3 s LYS 93 N -1.38 3.19 0.06 3.52 2.20 -1.19 -4.91 119.74 121.22 1nb3 s LYS 93 Ca 0.07 -0.29 0.05 0.00 -0.36 0.00 0.00 55.97 55.43 1nb3 s LYS 93 Cb -0.04 -2.96 -0.03 0.00 -1.51 0.00 0.00 37.83 33.29 1nb3 s LYS 93 CO 0.08 0.73 -0.13 0.71 -0.36 0.00 0.00 175.35 176.38 1nb3 s TYR 94 N -0.93 1.14 0.43 4.03 2.02 -1.09 -1.92 117.35 121.02 1nb3 s TYR 94 Ca 0.14 -0.42 0.04 0.00 -0.37 0.00 0.00 57.07 56.45 1nb3 s TYR 94 Cb -0.12 -0.65 -0.02 0.00 -0.40 0.00 0.00 41.96 40.77 1nb3 s TYR 94 CO 0.03 0.03 0.15 -1.64 -1.57 0.00 0.00 175.55 172.55 1nb3 s MET 95 N -1.51 1.99 -0.31 -0.62 -1.94 -0.30 0.11 119.30 116.72 1nb3 s MET 95 Ca -0.02 -2.23 -0.03 0.00 -1.71 0.00 0.00 55.69 51.71 1nb3 s MET 95 Cb -0.09 -0.57 0.11 0.00 2.01 0.00 0.00 34.83 36.29 1nb3 s MET 95 CO 0.02 -0.53 0.15 -1.01 -0.01 0.00 0.00 175.02 173.63 1nb3 s HIS 96 N -3.17 0.59 0.16 -0.03 3.76 0.90 -2.14 115.29 115.36 1nb3 s HIS 96 Ca 0.22 -1.16 -0.22 0.00 -0.15 0.00 0.00 55.06 53.75 1nb3 s HIS 96 Cb 0.01 -1.02 -0.08 0.00 1.11 0.00 0.00 32.58 32.61 1nb3 s HIS 96 CO 0.15 -0.83 0.72 -0.51 -0.85 0.00 0.00 174.74 173.41 1nb3 s LEU 97 N 1.80 4.51 -0.29 0.89 1.02 -0.60 -1.56 118.68 124.46 1nb3 s LEU 97 Ca 0.11 1.50 0.03 0.00 0.02 0.00 0.00 54.13 55.79 1nb3 s LEU 97 Cb -0.18 -3.29 0.08 0.00 0.02 0.00 0.00 46.19 42.82 1nb3 s LEU 97 CO -0.27 0.18 -0.03 -0.75 0.02 0.00 0.00 176.35 175.49 1nb3 s LYS 98 N -1.37 1.78 -0.23 1.70 2.20 0.14 -0.15 119.74 123.82 1nb3 s LYS 98 Ca 0.36 -1.47 -0.03 0.00 -0.36 0.00 0.00 55.97 54.47 1nb3 s LYS 98 Cb -0.21 -2.91 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 1nb3 s LYS 98 CO 0.23 -0.73 -0.04 0.08 -0.36 0.00 0.00 175.35 174.53 1nb3 s VAL 99 N 1.10 3.26 0.32 4.02 1.01 -0.10 -0.40 120.40 129.62 1nb3 s VAL 99 Ca -0.00 -0.63 -0.27 0.00 0.00 0.00 0.00 61.98 61.09 1nb3 s VAL 99 Cb -0.19 -2.53 -0.10 0.00 0.00 0.00 0.00 36.38 33.56 1nb3 s VAL 99 CO -0.07 0.36 0.96 0.12 0.00 0.00 0.00 175.10 176.47 1nb3 s PHE 100 N 1.44 3.68 -0.09 5.22 2.19 0.16 -0.73 117.98 129.86 1nb3 s PHE 100 Ca 0.05 1.78 -0.00 0.00 0.33 0.00 0.00 56.93 59.09 1nb3 s PHE 100 Cb -0.15 -2.97 0.02 0.00 -1.31 0.00 0.00 43.02 38.61 1nb3 s PHE 100 CO -0.04 0.11 -0.06 0.21 1.83 0.00 0.00 175.22 177.27 1nb3 s LYS 101 N -1.96 1.24 1.18 10.12 2.20 0.19 -1.52 119.74 131.20 1nb3 s LYS 101 Ca 0.50 -0.17 -0.15 0.00 -0.36 0.00 0.00 55.97 55.78 1nb3 s LYS 101 Cb -0.21 -1.31 0.28 0.00 -1.51 0.00 0.00 37.83 35.08 1nb3 s LYS 101 CO 0.26 -0.21 1.03 0.45 -0.36 0.00 0.00 175.35 176.53 1nb3 s SER 102 N 1.50 0.92 0.13 1.43 0.15 -1.26 -1.60 113.70 114.97 1nb3 s SER 102 Ca -0.00 1.22 -0.23 0.00 0.70 0.00 0.00 55.95 57.63 1nb3 s SER 102 Cb -0.13 -1.87 -0.07 0.00 -1.71 0.00 0.00 66.02 62.23 1nb3 s SER 102 CO -0.05 -4.19 0.71 -0.76 1.20 0.00 0.00 173.24 170.15 1nb3 s LEU 102 N -7.15 4.57 0.19 3.45 1.43 -1.26 -4.58 118.68 115.32 1nb3 s LEU 102 Ca 0.68 1.51 0.07 0.00 -1.03 0.00 0.00 54.13 55.37 1nb3 s LEU 102 Cb -0.20 -3.17 0.60 0.00 0.03 0.00 0.00 46.19 43.45 1nb3 s LEU 102 CO 0.61 0.22 0.85 -2.65 0.23 0.00 0.00 176.35 175.61 1nb3 n PRO 103 N 1.70 -0.04 0.00 1.29 -0.02 -1.26 -1.03 135.00 135.64 1nb3 n PRO 103 Ca -0.07 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1nb3 n PRO 103 Cb 0.49 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 1nb3 n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nb3 n GLY 104 N -1.19 -2.93 3.66 -1.23 0.00 -1.26 -4.52 105.19 97.72 1nb3 n GLY 104 Ca 0.17 0.34 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 1nb3 n GLY 104 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nb3 s GLN 105 N -2.58 4.21 -0.68 1.61 1.11 -0.20 -4.90 119.66 118.22 1nb3 s GLN 105 Ca 0.00 2.03 -0.26 0.00 0.01 0.00 0.00 55.36 57.14 1nb3 s GLN 105 Cb 0.00 -3.86 -0.07 0.00 -1.01 0.00 0.00 33.01 28.07 1nb3 s GLN 105 CO 0.00 -0.77 2.18 1.21 0.01 0.00 0.00 175.29 177.92 1nb3 s ASN 105 N 2.76 4.65 0.07 5.90 2.47 -1.26 -4.57 114.94 124.97 1nb3 s ASN 105 Ca 0.67 0.29 -0.07 0.00 0.42 0.00 0.00 52.86 54.17 1nb3 s ASN 105 Cb -0.30 -2.53 -0.01 0.00 -1.45 0.00 0.00 41.25 36.96 1nb3 s ASN 105 CO 0.25 -2.97 0.15 -0.70 -3.72 0.00 0.00 177.10 170.11 1nb3 s GLU 106 N 7.86 0.76 0.29 0.43 2.12 -1.26 -5.15 118.70 123.75 1nb3 s GLU 106 Ca 0.83 -0.93 0.06 0.00 0.36 0.00 0.00 54.97 55.29 1nb3 s GLU 106 Cb -0.13 0.30 -0.02 0.00 0.26 0.00 0.00 34.13 34.54 1nb3 s GLU 106 CO 0.15 -0.22 0.34 -0.51 -0.54 0.00 0.00 175.26 174.47 1nb3 s ASP 107 N -2.70 5.79 -0.09 -1.70 1.01 -1.26 -4.77 116.67 112.96 1nb3 s ASP 107 Ca 0.03 -0.21 -0.35 0.00 0.71 0.00 0.00 52.55 52.73 1nb3 s ASP 107 Cb 0.04 -1.37 -0.12 0.00 1.01 0.00 0.00 42.92 42.48 1nb3 s ASP 107 CO -0.09 -0.23 1.84 0.18 0.21 0.00 0.00 175.17 177.08 1nb3 n LEU 108 N -1.41 3.30 -4.50 1.23 4.32 -1.26 -4.71 117.00 113.96 1nb3 n LEU 108 Ca -0.05 0.99 -0.34 0.00 -0.02 0.00 0.00 56.01 56.60 1nb3 n LEU 108 Cb 0.58 -1.35 -0.12 0.00 -1.62 0.00 0.00 43.42 40.91 1nb3 n LEU 108 CO 0.43 -0.12 -0.35 -0.69 -1.22 0.00 0.00 177.39 175.44 1nb3 s VAL 109 N 3.75 3.89 -0.84 4.08 1.01 -0.58 -4.88 120.40 126.84 1nb3 s VAL 109 Ca 0.92 -0.36 -0.20 0.00 0.00 0.00 0.00 61.98 62.34 1nb3 s VAL 109 Cb -0.73 -2.70 0.10 0.00 0.00 0.00 0.00 36.38 33.05 1nb3 s VAL 109 CO 0.52 0.50 1.09 -0.22 0.00 0.00 0.00 175.10 176.99 1nb3 s LEU 110 N 0.29 4.69 0.38 3.92 2.96 -1.26 0.38 118.68 130.04 1nb3 s LEU 110 Ca -0.03 -1.62 0.21 0.00 -0.22 0.00 0.00 54.13 52.46 1nb3 s LEU 110 Cb -0.14 -2.42 0.34 0.00 0.50 0.00 0.00 46.19 44.47 1nb3 s LEU 110 CO 0.03 -1.24 1.59 0.71 -1.32 0.00 0.00 176.35 176.12 1nb3 h THR 111 N 5.97 0.38 -2.62 3.68 1.35 -1.10 -3.47 112.91 117.10 1nb3 h THR 111 Ca 0.00 -1.45 -0.04 0.00 -0.55 0.00 0.00 66.41 64.37 1nb3 h THR 111 Cb 1.04 2.12 -0.15 0.00 -1.73 0.00 0.00 68.15 69.43 1nb3 h THR 111 CO 1.16 0.21 0.17 -0.83 -0.25 0.00 0.00 175.52 175.98 1nb3 s GLY 112 N -4.31 -0.57 -0.18 5.82 0.00 -1.03 -4.99 107.32 102.06 1nb3 s GLY 112 Ca 0.05 0.79 -0.16 0.00 0.00 0.00 0.00 44.72 45.40 1nb3 s GLY 112 CO 0.69 0.45 0.48 -2.52 0.00 0.00 0.00 173.10 172.20 1nb3 s TYR 113 N -2.65 -0.55 -0.07 1.90 -0.85 -1.25 0.26 117.35 114.13 1nb3 s TYR 113 Ca -0.04 1.31 0.04 0.00 -0.52 0.00 0.00 57.07 57.86 1nb3 s TYR 113 Cb -0.01 0.21 0.00 0.00 0.38 0.00 0.00 41.96 42.54 1nb3 s TYR 113 CO -0.03 -0.27 -0.17 -0.65 -1.52 0.00 0.00 175.55 172.90 1nb3 s GLN 114 N 0.45 2.10 0.44 -3.49 -0.21 -0.60 -4.94 119.66 113.40 1nb3 s GLN 114 Ca -0.02 -0.61 0.08 0.00 0.02 0.00 0.00 55.36 54.83 1nb3 s GLN 114 Cb -0.04 -1.70 -0.00 0.00 1.00 0.00 0.00 33.01 32.26 1nb3 s GLN 114 CO -0.02 0.15 0.43 0.08 -2.12 0.00 0.00 175.29 173.82 1nb3 s VAL 115 N 0.34 2.56 -1.41 1.09 1.01 -1.26 -0.07 120.40 122.66 1nb3 s VAL 115 Ca -0.12 -1.29 -0.07 0.00 0.00 0.00 0.00 61.98 60.51 1nb3 s VAL 115 Cb -0.15 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.39 1nb3 s VAL 115 CO 0.05 0.00 0.87 0.47 0.00 0.00 0.00 175.10 176.48 1nb3 n ASP 115 N -1.66 -6.13 -4.94 3.32 8.00 -1.08 -4.90 116.55 109.16 1nb3 n ASP 115 Ca 0.04 -0.40 -0.24 0.00 0.71 0.00 0.00 54.79 54.91 1nb3 n ASP 115 Cb 0.62 -4.85 -0.02 0.00 -0.02 0.00 0.00 41.12 36.84 1nb3 n ASP 115 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1nb3 s LYS 116 N -5.96 3.49 0.63 -1.24 1.02 0.30 -4.92 119.74 113.05 1nb3 s LYS 116 Ca 0.43 -0.40 -0.11 0.00 0.02 0.00 0.00 55.97 55.90 1nb3 s LYS 116 Cb -0.19 -2.73 -0.03 0.00 -0.52 0.00 0.00 37.83 34.36 1nb3 s LYS 116 CO 0.53 0.24 1.04 -0.80 -0.92 0.00 0.00 175.35 175.44 1nb3 s ASN 117 N -3.88 6.12 0.36 2.83 0.02 -1.26 -2.67 114.94 116.45 1nb3 s ASN 117 Ca 0.39 1.38 0.07 0.00 -1.02 0.00 0.00 52.86 53.68 1nb3 s ASN 117 Cb -0.10 -2.39 0.67 0.00 0.02 0.00 0.00 41.25 39.46 1nb3 s ASN 117 CO 0.34 -0.94 1.87 0.50 0.02 0.00 0.00 177.10 178.88 1nb3 h LYS 118 N -0.37 0.33 -0.63 -0.60 3.64 -1.96 -2.32 116.57 114.67 1nb3 h LYS 118 Ca -0.44 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1nb3 h LYS 118 Cb 1.20 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1nb3 h LYS 118 CO 0.62 0.47 0.00 -0.25 -2.27 0.00 0.00 179.45 178.02 1nb3 n ASP 119 N -4.24 4.75 -4.60 4.20 8.00 -1.26 -4.90 116.55 118.50 1nb3 n ASP 119 Ca -0.00 -2.47 -0.43 0.00 0.71 0.00 0.00 54.79 52.60 1nb3 n ASP 119 Cb 0.29 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 40.79 1nb3 n ASP 119 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1nb3 s ASP 120 N -0.94 5.78 0.14 -2.24 -1.08 -0.87 -4.89 116.67 112.56 1nb3 s ASP 120 Ca 0.51 1.48 -0.31 0.00 -0.52 0.00 0.00 52.55 53.71 1nb3 s ASP 120 Cb 0.33 -2.52 -0.10 0.00 -1.46 0.00 0.00 42.92 39.17 1nb3 s ASP 120 CO 0.24 -1.77 1.71 -0.70 0.52 0.00 0.00 175.17 175.17 1nb3 s GLU 121 N 5.83 4.16 -0.55 4.34 2.56 -1.26 -4.89 118.70 128.89 1nb3 s GLU 121 Ca 0.86 2.49 -0.26 0.00 0.00 0.00 0.00 54.97 58.06 1nb3 s GLU 121 Cb -0.26 -3.39 -0.04 0.00 2.00 0.00 0.00 34.13 32.45 1nb3 s GLU 121 CO 0.34 -0.75 2.09 -0.51 -0.56 0.00 0.00 175.26 175.87 1nb3 s LEU 122 N 2.04 3.35 0.66 2.70 1.43 -1.26 -4.98 118.68 122.61 1nb3 s LEU 122 Ca 0.76 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.55 1nb3 s LEU 122 Cb -0.45 -2.56 0.09 0.00 0.03 0.00 0.00 46.19 43.30 1nb3 s LEU 122 CO 0.33 -2.56 0.91 0.42 0.23 0.00 0.00 176.35 175.68 1nb3 s THR 123 N 10.30 2.32 -0.05 5.49 -4.23 -1.26 -4.99 115.64 123.22 1nb3 s THR 123 Ca 0.80 -0.62 0.00 0.00 -1.18 0.00 0.00 61.69 60.69 1nb3 s THR 123 Cb -0.15 -2.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.96 1nb3 s THR 123 CO 0.23 0.00 -0.02 -0.83 -0.54 0.00 0.00 174.62 173.46 1nb3 s GLY 124 N -4.62 1.82 0.00 3.99 0.00 -1.26 -5.02 107.32 102.22 1nb3 s GLY 124 Ca 0.63 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 44.47 1nb3 s GLY 124 CO 0.42 -0.68 0.00 1.97 0.00 0.00 0.00 173.10 174.81