#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 2.61 -0.17 1.12 -4.36 -1.26 -5.04 121.20 114.10 1nb3 s ILE 7 Ca 0.00 -0.93 -0.23 0.00 -0.26 0.00 0.00 60.65 59.23 1nb3 s ILE 7 Cb 0.00 -2.68 -0.02 0.00 1.25 0.00 0.00 42.46 41.01 1nb3 s ILE 7 CO 0.00 0.00 0.74 -2.84 0.24 0.00 0.00 174.94 173.08 1nb3 s PRO 8 N -4.56 4.28 0.00 0.37 0.02 -1.26 -3.67 135.00 130.18 1nb3 s PRO 8 Ca 0.58 0.84 0.00 0.00 0.02 0.00 0.00 61.00 62.44 1nb3 s PRO 8 Cb -0.08 -3.56 0.00 0.00 0.02 0.00 0.00 34.50 30.88 1nb3 s PRO 8 CO 0.36 -0.25 0.00 0.41 -0.33 0.00 0.00 177.00 177.20 1nb3 n GLY 9 N 3.56 0.35 4.00 0.52 0.00 -1.26 -5.08 105.19 107.27 1nb3 n GLY 9 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.36 1.76 0.57 -0.02 0.00 -1.24 -4.85 107.32 102.17 1nb3 s GLY 10 Ca 0.00 -1.78 -0.18 0.00 0.00 0.00 0.00 44.72 42.76 1nb3 s GLY 10 CO 0.00 -1.24 1.10 1.08 0.00 0.00 0.00 173.10 174.04 1nb3 s LEU 11 N -5.06 3.64 0.00 0.66 1.43 -1.26 -4.64 118.68 113.45 1nb3 s LEU 11 Ca 0.65 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 1nb3 s LEU 11 Cb -0.05 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.60 1nb3 s LEU 11 CO 0.43 -1.24 0.00 -1.54 0.23 0.00 0.00 176.35 174.23 1nb3 n SER 12 N -1.61 0.00 -4.85 2.29 3.41 0.22 -4.87 113.62 108.21 1nb3 n SER 12 Ca 0.11 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.35 1nb3 n SER 12 Cb 0.52 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.41 1nb3 n SER 12 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1nb3 s GLU 13 N 0.00 3.83 0.87 4.33 2.12 -1.26 -4.81 118.70 123.78 1nb3 s GLU 13 Ca 0.00 0.28 -0.12 0.00 0.36 0.00 0.00 54.97 55.49 1nb3 s GLU 13 Cb 0.00 -3.09 0.10 0.00 0.26 0.00 0.00 34.13 31.39 1nb3 s GLU 13 CO 0.00 0.62 1.01 0.00 -0.54 0.00 0.00 175.26 176.34 1nb3 n ALA 14 N 1.31 -0.89 -3.62 6.30 0.00 -1.26 -4.60 120.51 117.75 1nb3 n ALA 14 Ca -0.11 -0.47 -0.14 0.00 0.00 0.00 0.00 53.44 52.73 1nb3 n ALA 14 Cb 0.52 -2.13 -0.07 0.00 0.00 0.00 0.00 19.45 17.78 1nb3 n ALA 14 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1nb3 s LYS 15 N -4.17 0.82 0.54 0.00 3.01 0.12 -4.93 119.74 115.13 1nb3 s LYS 15 Ca 0.67 0.92 -0.21 0.00 -1.01 0.00 0.00 55.97 56.35 1nb3 s LYS 15 Cb -0.26 0.40 -0.05 0.00 -1.01 0.00 0.00 37.83 36.91 1nb3 s LYS 15 CO 0.57 -0.11 1.27 -1.25 0.51 0.00 0.00 175.35 176.34 1nb3 s PRO 16 N 0.28 3.23 1.12 -1.68 0.04 -1.26 0.19 135.00 136.92 1nb3 s PRO 16 Ca -0.00 2.01 -0.12 0.00 0.04 0.00 0.00 61.00 62.92 1nb3 s PRO 16 Cb -0.05 -2.19 0.26 0.00 0.04 0.00 0.00 34.50 32.56 1nb3 s PRO 16 CO 0.01 -1.05 1.05 0.00 0.04 0.00 0.00 177.00 177.05 1nb3 s ALA 17 N -1.44 -0.16 0.05 8.56 0.00 -1.04 -4.75 121.76 122.98 1nb3 s ALA 17 Ca 0.72 0.02 -0.01 0.00 0.00 0.00 0.00 51.96 52.68 1nb3 s ALA 17 Cb -0.35 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 1nb3 s ALA 17 CO 0.40 -3.68 -0.03 0.95 0.00 0.00 0.00 175.76 173.40 1nb3 s THR 18 N -2.49 0.26 -0.37 0.00 -4.23 -1.26 -5.00 115.64 102.55 1nb3 s THR 18 Ca 0.68 -1.82 0.04 0.00 -1.18 0.00 0.00 61.69 59.41 1nb3 s THR 18 Cb -0.25 -1.53 0.04 0.00 1.34 0.00 0.00 72.50 72.10 1nb3 s THR 18 CO 0.63 -0.99 0.96 -2.65 -0.54 0.00 0.00 174.62 172.03 1nb3 n PRO 19 N 0.10 0.03 -0.02 3.99 -0.02 -1.26 0.11 135.00 137.93 1nb3 n PRO 19 Ca -0.14 0.38 -0.07 0.00 -2.02 0.00 0.00 63.50 61.66 1nb3 n PRO 19 Cb 0.61 -1.84 -0.13 0.00 -0.02 0.00 0.00 33.50 32.12 1nb3 n PRO 19 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1nb3 n GLU 20 N -1.54 0.63 0.06 -0.52 2.13 -1.26 -2.17 120.64 117.97 1nb3 n GLU 20 Ca -0.00 0.25 -0.21 0.00 0.66 0.00 0.00 57.16 57.86 1nb3 n GLU 20 Cb 0.25 -1.77 -0.13 0.00 0.27 0.00 0.00 31.44 30.07 1nb3 n GLU 20 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1nb3 h ILE 21 N 0.00 1.36 -0.85 6.31 1.08 0.40 -1.62 117.51 124.19 1nb3 h ILE 21 Ca -0.28 -2.36 -0.02 0.00 -0.39 0.00 0.00 64.86 61.81 1nb3 h ILE 21 Cb 1.94 2.75 -0.04 0.00 -3.07 0.00 0.00 36.82 38.40 1nb3 h ILE 21 CO 0.07 0.70 0.44 -0.61 -0.69 0.00 0.00 178.15 178.06 1nb3 h GLN 22 N 0.06 1.20 -0.56 2.37 5.75 -1.55 -0.24 115.11 122.14 1nb3 h GLN 22 Ca -0.15 -0.15 0.06 0.00 -0.15 0.00 0.00 58.65 58.26 1nb3 h GLN 22 Cb 1.69 -0.23 -0.06 0.00 1.07 0.00 0.00 27.48 29.96 1nb3 h GLN 22 CO 0.19 0.90 0.26 1.49 -2.65 0.00 0.00 178.83 179.01 1nb3 h GLU 23 N 1.20 0.47 -0.57 1.69 4.81 -1.30 0.32 114.58 121.20 1nb3 h GLU 23 Ca 0.30 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.43 1nb3 h GLU 23 Cb 0.06 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1nb3 h GLU 23 CO -0.04 0.31 0.08 0.82 -0.73 0.00 0.00 179.01 179.44 1nb3 h ILE 24 N 0.48 1.26 -0.28 2.32 2.04 -0.54 -2.15 117.51 120.63 1nb3 h ILE 24 Ca 0.26 -1.00 0.03 0.00 1.00 0.00 0.00 64.86 65.15 1nb3 h ILE 24 Cb 0.23 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1nb3 h ILE 24 CO -0.22 0.37 0.11 0.58 0.00 0.00 0.00 178.15 178.99 1nb3 h VAL 25 N 0.85 0.94 -0.82 1.67 2.07 0.36 -1.76 116.25 119.56 1nb3 h VAL 25 Ca 0.17 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.64 1nb3 h VAL 25 Cb 0.44 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1nb3 h VAL 25 CO 0.01 0.04 0.52 0.44 0.02 0.00 0.00 177.57 178.61 1nb3 h ASP 26 N 0.24 0.86 -0.11 0.57 3.45 -0.08 0.27 116.42 121.62 1nb3 h ASP 26 Ca 0.12 -0.00 -0.20 0.00 0.43 0.00 0.00 57.03 57.38 1nb3 h ASP 26 Cb 0.08 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 38.67 1nb3 h ASP 26 CO -0.12 0.59 -0.67 0.11 -1.57 0.00 0.00 179.24 177.58 1nb3 h LYS 27 N 1.01 0.74 -0.01 3.56 1.57 -1.26 -3.18 116.57 119.00 1nb3 h LYS 27 Ca 0.33 -0.54 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1nb3 h LYS 27 Cb 0.02 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1nb3 h LYS 27 CO -0.12 1.16 -0.20 1.55 -0.57 0.00 0.00 179.45 181.27 1nb3 n VAL 28 N -3.95 0.00 0.01 0.50 3.14 -0.67 -4.23 118.33 113.13 1nb3 n VAL 28 Ca -0.05 -0.13 -0.11 0.00 -2.96 0.00 0.00 64.34 61.09 1nb3 n VAL 28 Cb 0.69 0.32 -0.05 0.00 -1.06 0.00 0.00 33.84 33.73 1nb3 n VAL 28 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 1nb3 h LYS 29 N 1.21 0.04 0.00 1.45 3.64 -0.45 -2.52 116.57 119.94 1nb3 h LYS 29 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1nb3 h LYS 29 Cb 0.48 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1nb3 h LYS 29 CO 0.00 0.03 0.05 -2.30 -2.27 0.00 0.00 179.45 174.96 1nb3 n PRO 30 N -5.09 0.00 -0.09 1.90 -0.02 -1.26 0.02 135.00 130.46 1nb3 n PRO 30 Ca -0.05 0.13 -0.09 0.00 -2.02 0.00 0.00 63.50 61.47 1nb3 n PRO 30 Cb 0.05 -1.55 -0.14 0.00 -0.02 0.00 0.00 33.50 31.84 1nb3 n PRO 30 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1nb3 n GLN 31 N -1.05 1.16 0.35 -0.52 6.02 -0.95 -3.81 117.38 118.57 1nb3 n GLN 31 Ca 0.00 -0.01 -0.14 0.00 -0.01 0.00 0.00 57.00 56.84 1nb3 n GLN 31 Cb 0.05 -1.45 -0.07 0.00 1.02 0.00 0.00 30.24 29.80 1nb3 n GLN 31 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1nb3 h LEU 32 N 0.00 -0.77 -0.81 1.08 6.46 -0.42 -1.21 115.31 119.64 1nb3 h LEU 32 Ca -0.47 0.03 0.19 0.00 -0.12 0.00 0.00 57.88 57.50 1nb3 h LEU 32 Cb 2.07 0.20 -0.12 0.00 -0.73 0.00 0.00 40.66 42.08 1nb3 h LEU 32 CO 0.02 -0.47 0.24 -0.33 -0.62 0.00 0.00 178.44 177.28 1nb3 h GLU 33 N -1.07 0.29 0.51 1.25 5.08 -1.66 -1.08 114.58 117.90 1nb3 h GLU 33 Ca -0.09 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1nb3 h GLU 33 Cb 0.70 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1nb3 h GLU 33 CO 0.15 0.19 -0.27 1.49 -1.00 0.00 0.00 179.01 179.57 1nb3 h GLU 34 N 0.30 -0.69 -1.19 2.33 4.22 -1.64 0.72 114.58 118.63 1nb3 h GLU 34 Ca 0.48 0.05 0.34 0.00 0.08 0.00 0.00 59.36 60.31 1nb3 h GLU 34 Cb 0.87 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 30.21 1nb3 h GLU 34 CO -0.55 -0.46 0.82 0.87 -2.18 0.00 0.00 179.01 177.52 1nb3 h LYS 35 N -0.71 0.13 -0.01 1.92 1.57 -0.63 -2.39 116.57 116.45 1nb3 h LYS 35 Ca -0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1nb3 h LYS 35 Cb 0.56 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1nb3 h LYS 35 CO 0.10 0.08 -0.37 0.25 -0.57 0.00 0.00 179.45 178.94 1nb3 n THR 36 N -4.36 0.00 -3.75 -0.16 -2.24 -0.46 -5.01 114.28 98.30 1nb3 n THR 36 Ca 0.27 -0.31 -0.24 0.00 -2.27 0.00 0.00 64.05 61.50 1nb3 n THR 36 Cb 1.18 1.12 0.04 0.00 -2.10 0.00 0.00 70.33 70.58 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 -0.45 -2.93 -3.66 3.42 5.15 0.25 -4.99 115.26 112.05 1nb3 n ASN 37 Ca 0.05 -0.77 -0.17 0.00 -0.60 0.00 0.00 54.58 53.09 1nb3 n ASN 37 Cb 0.27 -4.16 -0.16 0.00 -0.53 0.00 0.00 39.78 35.20 1nb3 n ASN 37 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1nb3 s GLU 38 N -6.18 0.04 -0.36 1.20 2.12 -0.97 -5.06 118.70 109.48 1nb3 s GLU 38 Ca 0.28 0.53 -0.26 0.00 0.36 0.00 0.00 54.97 55.88 1nb3 s GLU 38 Cb -0.14 -0.35 0.01 0.00 0.26 0.00 0.00 34.13 33.92 1nb3 s GLU 38 CO 0.80 -0.33 0.94 0.99 -0.54 0.00 0.00 175.26 177.13 1nb3 s THR 39 N 2.29 4.58 0.53 -1.70 2.01 -1.26 -4.08 115.64 118.01 1nb3 s THR 39 Ca 0.03 1.25 -0.04 0.00 0.31 0.00 0.00 61.69 63.24 1nb3 s THR 39 Cb -0.12 -4.34 -0.00 0.00 0.01 0.00 0.00 72.50 68.05 1nb3 s THR 39 CO -0.06 -0.53 0.81 -0.31 -0.69 0.00 0.00 174.62 173.84 1nb3 s TYR 40 N 3.49 3.28 0.00 4.92 2.02 -1.26 -5.11 117.35 124.69 1nb3 s TYR 40 Ca 0.39 0.53 0.00 0.00 -0.37 0.00 0.00 57.07 57.62 1nb3 s TYR 40 Cb -0.12 -2.55 0.00 0.00 -0.40 0.00 0.00 41.96 38.89 1nb3 s TYR 40 CO 0.18 -0.61 0.00 0.41 -1.57 0.00 0.00 175.55 173.96 1nb3 n GLY 43 N -2.39 0.91 3.72 0.71 0.00 -1.26 -4.97 105.19 101.91 1nb3 n GLY 43 Ca 0.03 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 1.83 4.18 -0.44 1.61 -2.85 -1.26 -4.95 119.74 117.85 1nb3 s LYS 44 Ca 0.00 2.46 -0.11 0.00 -1.00 0.00 0.00 55.97 57.32 1nb3 s LYS 44 Cb 0.00 -3.11 0.08 0.00 -2.06 0.00 0.00 37.83 32.74 1nb3 s LYS 44 CO 0.00 -0.64 0.32 -0.51 0.10 0.00 0.00 175.35 174.61 1nb3 s LEU 45 N 0.82 5.37 -0.04 2.77 1.02 -1.26 -4.63 118.68 122.72 1nb3 s LEU 45 Ca 0.70 -1.48 -0.26 0.00 0.02 0.00 0.00 54.13 53.11 1nb3 s LEU 45 Cb -0.46 -2.06 -0.03 0.00 0.02 0.00 0.00 46.19 43.66 1nb3 s LEU 45 CO 0.35 -0.59 0.83 -0.70 0.02 0.00 0.00 176.35 176.25 1nb3 s GLU 46 N 1.50 4.49 -0.45 1.70 2.12 -0.45 -4.88 118.70 122.73 1nb3 s GLU 46 Ca 0.03 1.12 -0.24 0.00 0.36 0.00 0.00 54.97 56.25 1nb3 s GLU 46 Cb -0.24 -3.46 0.03 0.00 0.26 0.00 0.00 34.13 30.72 1nb3 s GLU 46 CO 0.03 0.01 0.83 0.00 -0.54 0.00 0.00 175.26 175.59 1nb3 s ALA 47 N 0.92 3.28 -0.24 6.30 0.00 -1.26 -0.52 121.76 130.24 1nb3 s ALA 47 Ca 0.44 -0.92 -0.12 0.00 0.00 0.00 0.00 51.96 51.36 1nb3 s ALA 47 Cb -0.19 -3.52 -0.17 0.00 0.00 0.00 0.00 23.12 19.24 1nb3 s ALA 47 CO 0.22 -1.95 -0.09 1.33 0.00 0.00 0.00 175.76 175.27 1nb3 n VAL 48 N 6.22 1.56 -4.22 0.00 0.24 -0.70 -4.55 118.33 116.87 1nb3 n VAL 48 Ca 0.04 -0.37 -0.15 0.00 -2.04 0.00 0.00 64.34 61.81 1nb3 n VAL 48 Cb 0.48 -1.81 -0.11 0.00 -1.47 0.00 0.00 33.84 30.94 1nb3 n VAL 48 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1nb3 s GLN 49 N -2.48 0.98 0.19 7.34 0.74 -1.18 -2.50 119.66 122.76 1nb3 s GLN 49 Ca -0.33 -1.29 -0.12 0.00 0.05 0.00 0.00 55.36 53.67 1nb3 s GLN 49 Cb 0.10 -0.69 0.00 0.00 1.10 0.00 0.00 33.01 33.53 1nb3 s GLN 49 CO 0.58 0.11 0.39 1.52 -0.55 0.00 0.00 175.29 177.33 1nb3 s TYR 50 N -2.66 0.27 0.18 1.67 1.13 0.13 -0.67 117.35 117.41 1nb3 s TYR 50 Ca 0.11 -0.63 -0.17 0.00 -1.41 0.00 0.00 57.07 54.97 1nb3 s TYR 50 Cb -0.02 0.10 0.03 0.00 -1.10 0.00 0.00 41.96 40.97 1nb3 s TYR 50 CO 0.01 -0.83 0.49 0.15 -2.51 0.00 0.00 175.55 172.86 1nb3 s LYS 51 N -3.96 1.32 0.18 -3.49 1.02 -0.95 0.15 119.74 114.02 1nb3 s LYS 51 Ca 0.17 -0.87 -0.00 0.00 0.02 0.00 0.00 55.97 55.29 1nb3 s LYS 51 Cb 0.01 0.50 -0.04 0.00 -0.52 0.00 0.00 37.83 37.78 1nb3 s LYS 51 CO 0.02 -0.55 0.07 0.95 -0.92 0.00 0.00 175.35 174.92 1nb3 s THR 52 N -3.87 0.27 -0.10 2.17 -4.23 -1.26 -2.93 115.64 105.68 1nb3 s THR 52 Ca 0.09 -1.97 -0.10 0.00 -1.18 0.00 0.00 61.69 58.54 1nb3 s THR 52 Cb -0.00 -2.30 0.03 0.00 1.34 0.00 0.00 72.50 71.56 1nb3 s THR 52 CO -0.04 -0.24 0.27 -1.58 -0.54 0.00 0.00 174.62 172.49 1nb3 s GLN 53 N -4.05 0.33 -0.23 3.99 0.74 -0.23 -0.61 119.66 119.60 1nb3 s GLN 53 Ca 0.31 0.37 -0.09 0.00 0.05 0.00 0.00 55.36 56.00 1nb3 s GLN 53 Cb 0.07 0.16 -0.04 0.00 1.10 0.00 0.00 33.01 34.30 1nb3 s GLN 53 CO 0.07 -0.04 0.11 0.08 -0.55 0.00 0.00 175.29 174.97 1nb3 s VAL 54 N 0.12 4.99 0.00 1.34 1.01 -1.26 -1.50 120.40 125.10 1nb3 s VAL 54 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1nb3 s VAL 54 Cb -0.02 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1nb3 s VAL 54 CO 0.00 0.38 0.00 1.33 0.00 0.00 0.00 175.10 176.81 1nb3 n VAL 55 N 4.20 0.00 -2.20 2.92 0.24 -1.26 -4.64 118.33 117.59 1nb3 n VAL 55 Ca -0.16 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.72 1nb3 n VAL 55 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 1nb3 n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nb3 n ALA 56 N -3.00 5.27 0.00 2.33 0.00 -1.26 -4.57 120.51 119.28 1nb3 n ALA 56 Ca 0.00 -4.16 0.00 0.00 0.00 0.00 0.00 53.44 49.28 1nb3 n ALA 56 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 19.45 16.27 1nb3 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nb3 n GLY 57 N 3.36 0.48 3.54 0.00 0.00 -1.26 -4.47 105.19 106.84 1nb3 n GLY 57 Ca 0.44 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.57 -0.91 -0.12 2.61 2.01 0.30 -4.71 115.64 112.24 1nb3 s THR 58 Ca 0.00 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.84 1nb3 s THR 58 Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 1nb3 s THR 58 CO 0.00 0.00 0.39 0.20 -0.69 0.00 0.00 174.62 174.52 1nb3 s ASN 59 N 2.83 6.59 -0.08 3.53 0.01 -0.56 0.96 114.94 128.22 1nb3 s ASN 59 Ca -0.02 0.70 0.03 0.00 -0.71 0.00 0.00 52.86 52.86 1nb3 s ASN 59 Cb -0.11 -2.24 -0.02 0.00 0.41 0.00 0.00 41.25 39.29 1nb3 s ASN 59 CO -0.19 0.08 -0.16 -0.31 -1.51 0.00 0.00 177.10 175.02 1nb3 s TYR 60 N 0.35 2.70 -0.30 2.20 2.02 0.12 -1.07 117.35 123.37 1nb3 s TYR 60 Ca 0.22 -0.42 0.03 0.00 -0.37 0.00 0.00 57.07 56.52 1nb3 s TYR 60 Cb -0.14 -1.70 0.08 0.00 -0.40 0.00 0.00 41.96 39.79 1nb3 s TYR 60 CO 0.08 -0.02 -0.03 0.71 -1.57 0.00 0.00 175.55 174.72 1nb3 s TYR 61 N -0.25 3.47 -0.09 2.71 1.51 -1.15 0.44 117.35 123.98 1nb3 s TYR 61 Ca 0.01 -2.56 0.01 0.00 -1.01 0.00 0.00 57.07 53.52 1nb3 s TYR 61 Cb -0.13 -2.38 -0.02 0.00 -0.11 0.00 0.00 41.96 39.32 1nb3 s TYR 61 CO 0.03 -0.91 -0.11 0.42 -1.11 0.00 0.00 175.55 173.87 1nb3 s ILE 62 N 1.04 3.26 -0.15 2.71 1.01 -0.52 -2.23 121.20 126.31 1nb3 s ILE 62 Ca -0.00 -0.62 -0.16 0.00 0.00 0.00 0.00 60.65 59.86 1nb3 s ILE 62 Cb -0.20 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 1nb3 s ILE 62 CO -0.06 0.56 0.41 -0.75 0.00 0.00 0.00 174.94 175.09 1nb3 s LYS 63 N -0.21 4.27 -0.05 2.79 2.20 0.15 -1.19 119.74 127.71 1nb3 s LYS 63 Ca 0.01 0.29 0.02 0.00 -0.36 0.00 0.00 55.97 55.93 1nb3 s LYS 63 Cb -0.13 -3.46 0.01 0.00 -1.51 0.00 0.00 37.83 32.74 1nb3 s LYS 63 CO 0.03 0.12 -0.10 0.14 -0.36 0.00 0.00 175.35 175.18 1nb3 s VAL 64 N 0.78 0.95 -0.06 4.02 -7.23 0.77 -1.71 120.40 117.92 1nb3 s VAL 64 Ca 0.21 -0.41 -0.14 0.00 -1.81 0.00 0.00 61.98 59.83 1nb3 s VAL 64 Cb -0.14 -0.87 -0.05 0.00 0.56 0.00 0.00 36.38 35.88 1nb3 s VAL 64 CO 0.08 0.30 0.37 -0.60 -0.31 0.00 0.00 175.10 174.94 1nb3 s ARG 65 N 0.47 4.00 0.26 4.82 3.00 0.32 -0.96 118.95 130.85 1nb3 s ARG 65 Ca -0.09 0.29 -0.20 0.00 -1.00 0.00 0.00 55.73 54.74 1nb3 s ARG 65 Cb -0.13 -3.29 0.02 0.00 0.00 0.00 0.00 34.95 31.55 1nb3 s ARG 65 CO 0.02 0.53 0.66 0.00 0.00 0.00 0.00 175.30 176.51 1nb3 s ALA 66 N -0.51 -1.08 0.00 6.12 0.00 0.05 -1.34 121.76 125.00 1nb3 s ALA 66 Ca 0.22 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1nb3 s ALA 66 Cb -0.15 0.89 0.00 0.00 0.00 0.00 0.00 23.12 23.85 1nb3 s ALA 66 CO 0.10 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.29 1nb3 n GLY 67 N -0.43 0.98 2.87 0.00 0.00 -1.26 -0.40 105.19 106.94 1nb3 n GLY 67 Ca -0.05 0.57 -0.30 0.00 0.00 0.00 0.00 46.02 46.24 1nb3 n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nb3 s ASP 68 N -4.00 4.32 -0.77 1.61 2.15 -1.26 -4.82 116.67 113.91 1nb3 s ASP 68 Ca 0.00 -1.82 -0.10 0.00 0.43 0.00 0.00 52.55 51.06 1nb3 s ASP 68 Cb 0.00 -1.20 0.10 0.00 -0.30 0.00 0.00 42.92 41.51 1nb3 s ASP 68 CO 0.00 -0.39 0.24 0.59 -0.17 0.00 0.00 175.17 175.45 1nb3 n ASN 92 N 4.59 -1.08 -4.74 -0.34 5.03 -1.21 -4.85 115.26 112.66 1nb3 n ASN 92 Ca -0.00 -0.34 -0.40 0.00 0.87 0.00 0.00 54.58 54.71 1nb3 n ASN 92 Cb 0.42 -0.99 -0.05 0.00 -1.02 0.00 0.00 39.78 38.15 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 -4.77 4.62 -0.12 3.52 2.20 0.46 -4.85 119.74 120.81 1nb3 s LYS 93 Ca 0.34 1.28 0.01 0.00 -0.36 0.00 0.00 55.97 57.24 1nb3 s LYS 93 Cb -0.20 -3.36 0.02 0.00 -1.51 0.00 0.00 37.83 32.78 1nb3 s LYS 93 CO 0.42 0.28 -0.14 0.71 -0.36 0.00 0.00 175.35 176.26 1nb3 s TYR 94 N -0.17 1.97 0.28 4.03 2.02 -1.15 -0.77 117.35 123.56 1nb3 s TYR 94 Ca 0.42 -1.00 0.12 0.00 -0.37 0.00 0.00 57.07 56.24 1nb3 s TYR 94 Cb -0.22 -1.45 -0.05 0.00 -0.40 0.00 0.00 41.96 39.83 1nb3 s TYR 94 CO 0.27 -0.55 -0.20 -1.64 -1.57 0.00 0.00 175.55 171.87 1nb3 s MET 95 N 1.25 1.69 -0.29 -0.62 -1.94 -0.14 -0.45 119.30 118.79 1nb3 s MET 95 Ca -0.01 -1.76 0.03 0.00 -1.71 0.00 0.00 55.69 52.24 1nb3 s MET 95 Cb -0.14 -1.78 0.08 0.00 2.01 0.00 0.00 34.83 35.00 1nb3 s MET 95 CO -0.06 0.33 -0.02 -1.01 -0.01 0.00 0.00 175.02 174.25 1nb3 s HIS 96 N -2.49 3.27 -0.03 -0.03 3.76 0.16 -0.16 115.29 119.77 1nb3 s HIS 96 Ca 0.30 -2.50 -0.16 0.00 -0.15 0.00 0.00 55.06 52.54 1nb3 s HIS 96 Cb -0.05 -2.29 -0.05 0.00 1.11 0.00 0.00 32.58 31.29 1nb3 s HIS 96 CO 0.15 -0.90 0.45 -0.51 -0.85 0.00 0.00 174.74 173.08 1nb3 s LEU 97 N 1.09 4.42 -0.42 0.89 1.02 -0.33 -0.48 118.68 124.87 1nb3 s LEU 97 Ca 0.01 0.96 -0.10 0.00 0.02 0.00 0.00 54.13 55.02 1nb3 s LEU 97 Cb -0.19 -2.66 0.07 0.00 0.02 0.00 0.00 46.19 43.43 1nb3 s LEU 97 CO -0.08 0.22 0.26 -0.75 0.02 0.00 0.00 176.35 176.03 1nb3 s LYS 98 N -0.57 2.65 -0.26 1.70 2.20 0.12 -1.44 119.74 124.15 1nb3 s LYS 98 Ca 0.25 -1.42 -0.06 0.00 -0.36 0.00 0.00 55.97 54.38 1nb3 s LYS 98 Cb -0.17 -3.80 -0.01 0.00 -1.51 0.00 0.00 37.83 32.34 1nb3 s LYS 98 CO 0.13 -0.94 0.04 0.08 -0.36 0.00 0.00 175.35 174.31 1nb3 s VAL 99 N 1.45 3.93 -0.17 4.02 1.01 0.17 -0.05 120.40 130.77 1nb3 s VAL 99 Ca 0.03 -0.44 -0.22 0.00 0.00 0.00 0.00 61.98 61.35 1nb3 s VAL 99 Cb -0.23 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 1nb3 s VAL 99 CO 0.03 0.27 0.67 0.12 0.00 0.00 0.00 175.10 176.18 1nb3 s PHE 100 N 1.54 3.42 -0.21 5.22 5.99 -0.13 0.14 117.98 133.94 1nb3 s PHE 100 Ca 0.05 1.03 -0.03 0.00 0.00 0.00 0.00 56.93 57.98 1nb3 s PHE 100 Cb -0.16 -2.82 0.00 0.00 0.00 0.00 0.00 43.02 40.04 1nb3 s PHE 100 CO 0.01 -0.12 -0.08 0.21 -0.00 0.00 0.00 175.22 175.24 1nb3 s LYS 101 N 1.70 3.25 0.90 10.12 2.20 0.27 -3.02 119.74 135.16 1nb3 s LYS 101 Ca 0.32 -0.70 -0.11 0.00 -0.36 0.00 0.00 55.97 55.12 1nb3 s LYS 101 Cb -0.16 -2.91 0.13 0.00 -1.51 0.00 0.00 37.83 33.38 1nb3 s LYS 101 CO 0.12 -0.22 1.12 0.43 -0.36 0.00 0.00 175.35 176.44 1nb3 n SER 102 N 4.75 0.35 -4.77 1.43 7.64 -1.26 -0.54 113.62 121.22 1nb3 n SER 102 Ca -0.19 0.45 -0.36 0.00 1.01 0.00 0.00 58.87 59.78 1nb3 n SER 102 Cb 0.50 -1.47 0.01 0.00 -1.01 0.00 0.00 64.21 62.24 1nb3 n SER 102 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1nb3 s LEU 102 N -6.12 3.83 0.40 -3.43 1.43 -1.26 -4.76 118.68 108.77 1nb3 s LEU 102 Ca 0.68 2.33 0.27 0.00 -1.03 0.00 0.00 54.13 56.38 1nb3 s LEU 102 Cb -0.24 -4.44 1.38 0.00 0.03 0.00 0.00 46.19 42.92 1nb3 s LEU 102 CO 0.57 -1.24 1.51 -2.65 0.23 0.00 0.00 176.35 174.77 1nb3 n PRO 103 N -1.06 -0.04 -0.62 1.29 -0.02 -1.26 -4.40 135.00 128.89 1nb3 n PRO 103 Ca 0.10 1.26 -0.29 0.00 -2.02 0.00 0.00 63.50 62.56 1nb3 n PRO 103 Cb 0.49 -2.39 0.26 0.00 -0.02 0.00 0.00 33.50 31.84 1nb3 n PRO 103 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1nb3 s GLY 104 N -4.32 1.51 0.43 -1.23 0.00 -1.26 -4.85 107.32 97.59 1nb3 s GLY 104 Ca -0.08 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.19 1nb3 s GLY 104 CO 0.77 0.36 0.00 -1.06 0.00 0.00 0.00 173.10 173.18 1nb3 n GLN 105 N -5.06 -2.44 -3.86 2.90 6.02 -1.26 -4.78 117.38 108.90 1nb3 n GLN 105 Ca 0.07 1.93 -0.33 0.00 -0.01 0.00 0.00 57.00 58.66 1nb3 n GLN 105 Cb 0.57 -3.01 -0.12 0.00 1.02 0.00 0.00 30.24 28.70 1nb3 n GLN 105 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1nb3 s ASN 105 N -6.47 4.72 0.25 1.08 2.47 -1.26 -5.00 114.94 110.72 1nb3 s ASN 105 Ca 0.00 -2.88 0.05 0.00 0.42 0.00 0.00 52.86 50.45 1nb3 s ASN 105 Cb 0.00 -1.73 -0.05 0.00 -1.45 0.00 0.00 41.25 38.02 1nb3 s ASN 105 CO 0.00 -0.30 -0.03 -0.70 -3.72 0.00 0.00 177.10 172.35 1nb3 s GLU 106 N -0.10 1.41 0.00 0.43 2.12 -1.26 -5.17 118.70 116.13 1nb3 s GLU 106 Ca 0.16 -1.71 0.00 0.00 0.36 0.00 0.00 54.97 53.79 1nb3 s GLU 106 Cb -0.23 -0.85 0.00 0.00 0.26 0.00 0.00 34.13 33.31 1nb3 s GLU 106 CO -0.02 -0.03 0.00 -0.25 -0.54 0.00 0.00 175.26 174.42 1nb3 n ASP 107 N -0.47 0.21 -4.39 -1.70 8.00 -1.26 -4.92 116.55 112.01 1nb3 n ASP 107 Ca -0.06 -0.28 -0.45 0.00 0.71 0.00 0.00 54.79 54.72 1nb3 n ASP 107 Cb 0.63 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.68 1nb3 n ASP 107 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1nb3 s LEU 108 N 0.00 5.41 -0.04 0.64 1.43 -1.26 -4.49 118.68 120.36 1nb3 s LEU 108 Ca 0.00 -1.30 -0.21 0.00 -1.03 0.00 0.00 54.13 51.59 1nb3 s LEU 108 Cb 0.00 -2.31 -0.05 0.00 0.03 0.00 0.00 46.19 43.86 1nb3 s LEU 108 CO 0.00 -0.93 0.62 -0.69 0.23 0.00 0.00 176.35 175.58 1nb3 s VAL 109 N 2.33 5.00 -0.61 -1.59 1.01 -1.17 -4.73 120.40 120.64 1nb3 s VAL 109 Ca 0.10 1.28 -0.23 0.00 0.00 0.00 0.00 61.98 63.13 1nb3 s VAL 109 Cb -0.23 -3.95 0.06 0.00 0.00 0.00 0.00 36.38 32.25 1nb3 s VAL 109 CO 0.08 0.34 0.93 -0.22 0.00 0.00 0.00 175.10 176.23 1nb3 s LEU 110 N 0.29 4.35 -0.03 3.92 0.20 -1.26 -0.96 118.68 125.19 1nb3 s LEU 110 Ca 0.33 -0.79 0.13 0.00 0.69 0.00 0.00 54.13 54.49 1nb3 s LEU 110 Cb -0.18 -2.55 0.43 0.00 -0.43 0.00 0.00 46.19 43.47 1nb3 s LEU 110 CO 0.16 -1.33 1.33 0.35 -0.29 0.00 0.00 176.35 176.58 1nb3 n THR 111 N 5.98 0.85 0.00 3.68 -2.24 0.93 -4.94 114.28 118.55 1nb3 n THR 111 Ca -0.02 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1nb3 n THR 111 Cb 0.46 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1nb3 n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nb3 n GLY 112 N 1.07 2.89 3.10 3.38 0.00 -1.19 -4.96 105.19 109.47 1nb3 n GLY 112 Ca 0.16 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 1nb3 n GLY 112 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nb3 s TYR 113 N -1.63 0.64 -0.05 1.61 -0.85 -1.26 0.11 117.35 115.92 1nb3 s TYR 113 Ca 0.00 -0.85 -0.01 0.00 -0.52 0.00 0.00 57.07 55.69 1nb3 s TYR 113 Cb 0.00 -0.41 0.03 0.00 0.38 0.00 0.00 41.96 41.96 1nb3 s TYR 113 CO 0.00 -0.23 0.03 -1.14 -1.52 0.00 0.00 175.55 172.70 1nb3 s GLN 114 N -3.19 0.18 0.25 -3.49 0.74 0.37 -4.98 119.66 109.54 1nb3 s GLN 114 Ca 0.03 0.24 0.10 0.00 0.05 0.00 0.00 55.36 55.78 1nb3 s GLN 114 Cb 0.02 -0.62 -0.04 0.00 1.10 0.00 0.00 33.01 33.46 1nb3 s GLN 114 CO -0.05 -0.28 -0.03 0.08 -0.55 0.00 0.00 175.29 174.46 1nb3 s VAL 115 N 1.86 3.37 -0.90 1.34 1.01 -1.26 0.36 120.40 126.19 1nb3 s VAL 115 Ca 0.02 -1.90 0.00 0.00 0.00 0.00 0.00 61.98 60.10 1nb3 s VAL 115 Cb -0.12 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.47 1nb3 s VAL 115 CO -0.03 -0.34 0.00 0.47 0.00 0.00 0.00 175.10 175.20 1nb3 n ASP 115 N -0.74 -3.54 -4.86 3.32 8.00 -1.19 -4.97 116.55 112.56 1nb3 n ASP 115 Ca -0.07 0.04 -0.31 0.00 0.71 0.00 0.00 54.79 55.16 1nb3 n ASP 115 Cb 0.58 -2.62 -0.04 0.00 -0.02 0.00 0.00 41.12 39.02 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 -4.16 3.88 0.00 -1.24 3.01 0.40 -4.94 119.74 116.70 1nb3 s LYS 116 Ca 0.00 0.58 0.00 0.00 -1.01 0.00 0.00 55.97 55.54 1nb3 s LYS 116 Cb 0.00 -2.39 0.00 0.00 -1.01 0.00 0.00 37.83 34.43 1nb3 s LYS 116 CO 0.00 0.02 0.00 0.27 0.51 0.00 0.00 175.35 176.15 1nb3 n ASN 117 N -0.95 0.00 -0.02 2.83 6.94 -1.26 -2.94 115.26 119.86 1nb3 n ASN 117 Ca 0.03 0.00 -0.00 0.00 -0.02 0.00 0.00 54.58 54.59 1nb3 n ASN 117 Cb 0.54 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.95 1nb3 n ASN 117 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 1nb3 h LYS 118 N 0.00 -0.03 0.00 -3.83 5.09 -1.96 -3.38 116.57 112.46 1nb3 h LYS 118 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1nb3 h LYS 118 Cb 0.00 0.01 0.00 0.00 0.10 0.00 0.00 32.23 32.34 1nb3 h LYS 118 CO 0.00 -0.02 0.00 -0.40 -2.09 0.00 0.00 179.45 176.94 1nb3 n ASP 119 N -4.17 0.00 -4.56 7.07 5.68 -1.26 -4.88 116.55 114.43 1nb3 n ASP 119 Ca -0.00 -0.98 -0.55 0.00 -0.50 0.00 0.00 54.79 52.75 1nb3 n ASP 119 Cb 0.01 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 39.92 1nb3 n ASP 119 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1nb3 n ASP 120 N -0.99 2.13 -4.76 -1.12 4.64 -1.26 -4.87 116.55 110.32 1nb3 n ASP 120 Ca 0.23 0.78 -0.41 0.00 -1.38 0.00 0.00 54.79 54.01 1nb3 n ASP 120 Cb 0.11 -1.16 -0.01 0.00 -1.04 0.00 0.00 41.12 39.01 1nb3 n ASP 120 CO 0.00 0.00 0.00 -1.83 -0.82 0.00 0.00 177.20 174.55 1nb3 s GLU 121 N 4.86 4.18 -0.22 -0.67 4.04 -1.26 -4.94 118.70 124.69 1nb3 s GLU 121 Ca 1.05 2.47 -0.29 0.00 0.04 0.00 0.00 54.97 58.23 1nb3 s GLU 121 Cb -1.03 -3.02 -0.02 0.00 0.02 0.00 0.00 34.13 30.08 1nb3 s GLU 121 CO 0.59 -0.48 1.41 -0.51 -1.84 0.00 0.00 175.26 174.43 1nb3 s LEU 122 N -1.34 4.01 0.00 1.83 1.43 -1.26 -5.03 118.68 118.32 1nb3 s LEU 122 Ca 0.56 1.54 0.05 0.00 -1.03 0.00 0.00 54.13 55.25 1nb3 s LEU 122 Cb -0.45 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.20 1nb3 s LEU 122 CO 0.54 -1.02 -0.12 0.42 0.23 0.00 0.00 176.35 176.39 1nb3 s THR 123 N 4.32 3.24 -0.30 5.49 -4.23 -1.26 -5.06 115.64 117.82 1nb3 s THR 123 Ca 0.61 -0.90 -0.29 0.00 -1.18 0.00 0.00 61.69 59.94 1nb3 s THR 123 Cb -0.22 -2.36 0.01 0.00 1.34 0.00 0.00 72.50 71.27 1nb3 s THR 123 CO 0.23 0.42 1.15 -0.83 -0.54 0.00 0.00 174.62 175.05 1nb3 s GLY 124 N -1.27 1.51 0.00 3.99 0.00 -1.26 -5.07 107.32 105.22 1nb3 s GLY 124 Ca 0.15 0.02 0.04 0.00 0.00 0.00 0.00 44.72 44.93 1nb3 s GLY 124 CO 0.05 2.38 0.61 1.97 0.00 0.00 0.00 173.10 178.11