#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nb3 n ILE 7 N 0.00 0.00 -2.64 1.12 -5.35 -1.26 -4.94 119.36 106.29 1nb3 n ILE 7 Ca 0.00 -0.40 -0.42 0.00 -0.27 0.00 0.00 62.75 61.66 1nb3 n ILE 7 Cb 0.00 -0.94 -0.03 0.00 -1.74 0.00 0.00 39.64 36.93 1nb3 n ILE 7 CO 0.00 0.00 0.00 -2.84 -1.76 0.00 0.00 176.55 171.95 1nb3 s PRO 8 N -4.27 4.52 0.00 6.28 0.02 -1.26 -3.16 135.00 137.14 1nb3 s PRO 8 Ca 0.67 1.50 0.00 0.00 0.02 0.00 0.00 61.00 63.19 1nb3 s PRO 8 Cb -0.24 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 30.85 1nb3 s PRO 8 CO 0.65 -0.11 0.00 0.41 -0.33 0.00 0.00 177.00 177.62 1nb3 n GLY 9 N 2.98 0.83 0.00 0.52 0.00 -1.26 -5.02 105.19 103.24 1nb3 n GLY 9 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1nb3 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nb3 n GLY 10 N -2.19 0.16 3.50 -0.02 0.00 -1.19 -4.77 105.19 100.69 1nb3 n GLY 10 Ca 0.00 -1.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 1nb3 n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nb3 s LEU 11 N 0.00 2.81 1.19 0.99 1.43 -1.26 -4.23 118.68 119.60 1nb3 s LEU 11 Ca 0.00 -0.28 -0.17 0.00 -1.03 0.00 0.00 54.13 52.66 1nb3 s LEU 11 Cb 0.00 -1.62 0.28 0.00 0.03 0.00 0.00 46.19 44.88 1nb3 s LEU 11 CO 0.00 0.29 1.06 -0.94 0.23 0.00 0.00 176.35 176.99 1nb3 s SER 12 N -1.22 0.99 1.06 2.29 1.04 -0.14 -4.89 113.70 112.81 1nb3 s SER 12 Ca 0.14 0.98 -0.13 0.00 0.48 0.00 0.00 55.95 57.42 1nb3 s SER 12 Cb -0.11 -1.47 0.22 0.00 0.10 0.00 0.00 66.02 64.76 1nb3 s SER 12 CO 0.05 -4.12 1.09 -0.70 0.98 0.00 0.00 173.24 170.53 1nb3 s GLU 13 N -5.04 -0.03 0.24 4.02 -6.30 -1.26 -4.70 118.70 105.63 1nb3 s GLU 13 Ca 0.68 0.45 -0.29 0.00 -2.50 0.00 0.00 54.97 53.31 1nb3 s GLU 13 Cb -0.16 -1.69 -0.09 0.00 0.00 0.00 0.00 34.13 32.19 1nb3 s GLU 13 CO 0.59 -3.03 0.92 0.00 0.02 0.00 0.00 175.26 173.76 1nb3 s ALA 14 N -2.91 3.35 0.17 6.30 0.00 -1.26 -4.63 121.76 122.78 1nb3 s ALA 14 Ca 0.66 0.59 0.07 0.00 0.00 0.00 0.00 51.96 53.29 1nb3 s ALA 14 Cb -0.18 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1nb3 s ALA 14 CO 0.58 0.22 -0.14 0.15 0.00 0.00 0.00 175.76 176.57 1nb3 s LYS 15 N -1.21 1.20 0.73 0.00 3.01 -0.12 -4.97 119.74 118.38 1nb3 s LYS 15 Ca 0.41 -1.44 -0.11 0.00 -1.01 0.00 0.00 55.97 53.82 1nb3 s LYS 15 Cb -0.25 -1.03 0.03 0.00 -1.01 0.00 0.00 37.83 35.56 1nb3 s LYS 15 CO 0.31 0.18 1.08 -2.14 0.51 0.00 0.00 175.35 175.29 1nb3 s PRO 16 N -3.24 2.62 0.54 -1.68 0.02 -1.26 -0.35 135.00 131.64 1nb3 s PRO 16 Ca 0.17 1.06 -0.18 0.00 0.02 0.00 0.00 61.00 62.07 1nb3 s PRO 16 Cb -0.02 -1.95 -0.06 0.00 0.02 0.00 0.00 34.50 32.49 1nb3 s PRO 16 CO 0.05 -1.35 1.05 0.00 -0.33 0.00 0.00 177.00 176.42 1nb3 s ALA 17 N -2.96 2.80 0.31 -1.55 0.00 -1.09 -4.52 121.76 114.75 1nb3 s ALA 17 Ca 0.60 0.51 0.08 0.00 0.00 0.00 0.00 51.96 53.15 1nb3 s ALA 17 Cb -0.16 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.66 1nb3 s ALA 17 CO 0.55 -0.57 -0.08 0.95 0.00 0.00 0.00 175.76 176.61 1nb3 s THR 18 N -2.20 1.95 0.57 0.00 -4.23 -1.26 -4.97 115.64 105.49 1nb3 s THR 18 Ca 0.66 -2.17 0.28 0.00 -1.18 0.00 0.00 61.69 59.27 1nb3 s THR 18 Cb -0.17 -2.53 0.38 0.00 1.34 0.00 0.00 72.50 71.53 1nb3 s THR 18 CO 0.28 -0.26 1.98 -0.65 -0.54 0.00 0.00 174.62 175.43 1nb3 h PRO 19 N 2.16 0.00 -0.02 3.99 0.11 -1.98 0.27 132.00 136.53 1nb3 h PRO 19 Ca -0.41 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.53 1nb3 h PRO 19 Cb 1.24 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.36 1nb3 h PRO 19 CO 0.68 0.00 -0.65 1.49 -0.21 0.00 0.00 178.00 179.31 1nb3 h GLU 20 N 0.00 0.49 -0.15 1.05 4.81 -1.98 -1.98 114.58 116.82 1nb3 h GLU 20 Ca 0.20 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1nb3 h GLU 20 Cb 0.96 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1nb3 h GLU 20 CO -0.00 1.13 0.10 0.82 -0.73 0.00 0.00 179.01 180.32 1nb3 h ILE 21 N 0.03 1.04 -0.22 2.32 1.08 -1.23 0.94 117.51 121.47 1nb3 h ILE 21 Ca -0.07 -0.08 0.06 0.00 -0.39 0.00 0.00 64.86 64.37 1nb3 h ILE 21 Cb 1.34 0.84 -0.07 0.00 -3.07 0.00 0.00 36.82 35.86 1nb3 h ILE 21 CO 0.13 0.04 -0.23 -0.61 -0.69 0.00 0.00 178.15 176.79 1nb3 h GLN 22 N 0.19 -0.24 -0.47 2.37 5.75 -0.63 0.23 115.11 122.32 1nb3 h GLN 22 Ca 0.05 0.02 0.09 0.00 -0.15 0.00 0.00 58.65 58.66 1nb3 h GLN 22 Cb -0.02 0.05 -0.08 0.00 1.07 0.00 0.00 27.48 28.51 1nb3 h GLN 22 CO -0.01 -0.16 -0.02 1.49 -2.65 0.00 0.00 178.83 177.48 1nb3 h GLU 23 N -0.25 0.09 -0.78 1.69 4.81 -0.75 0.50 114.58 119.90 1nb3 h GLU 23 Ca 0.13 -0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.50 1nb3 h GLU 23 Cb 0.45 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.71 1nb3 h GLU 23 CO -0.37 0.06 0.33 0.82 -0.73 0.00 0.00 179.01 179.12 1nb3 h ILE 24 N 0.10 0.66 -0.04 2.32 2.04 0.11 0.16 117.51 122.85 1nb3 h ILE 24 Ca 0.24 -0.16 -0.09 0.00 1.00 0.00 0.00 64.86 65.85 1nb3 h ILE 24 Cb 0.35 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1nb3 h ILE 24 CO -0.41 0.09 -0.38 0.58 0.00 0.00 0.00 178.15 178.03 1nb3 h VAL 25 N 0.47 1.29 0.05 1.67 2.07 0.51 0.05 116.25 122.36 1nb3 h VAL 25 Ca 0.43 -1.37 -0.23 0.00 0.82 0.00 0.00 66.70 66.35 1nb3 h VAL 25 Cb 0.66 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1nb3 h VAL 25 CO -0.41 0.40 -1.03 0.44 0.02 0.00 0.00 177.57 176.99 1nb3 h ASP 26 N 0.08 0.37 0.70 0.57 3.45 0.21 0.18 116.42 121.99 1nb3 h ASP 26 Ca 0.01 -0.34 -0.13 0.00 0.43 0.00 0.00 57.03 56.99 1nb3 h ASP 26 Cb 0.71 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 39.35 1nb3 h ASP 26 CO 0.05 1.19 -0.63 0.11 -1.57 0.00 0.00 179.24 178.39 1nb3 h LYS 27 N 0.12 0.00 0.00 3.56 1.57 -0.47 -3.28 116.57 118.07 1nb3 h LYS 27 Ca -0.08 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.49 1nb3 h LYS 27 Cb 1.71 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.99 1nb3 h LYS 27 CO 0.17 0.63 -1.41 0.28 -0.57 0.00 0.00 179.45 178.55 1nb3 h VAL 28 N 0.00 0.73 -0.88 0.50 2.07 -0.89 -3.39 116.25 114.39 1nb3 h VAL 28 Ca -0.01 -2.35 0.26 0.00 0.82 0.00 0.00 66.70 65.42 1nb3 h VAL 28 Cb 1.16 2.25 -0.04 0.00 -1.52 0.00 0.00 31.29 33.14 1nb3 h VAL 28 CO 0.08 0.41 0.88 0.50 0.02 0.00 0.00 177.57 179.46 1nb3 h LYS 29 N 0.00 0.00 0.00 1.57 3.64 -0.69 0.33 116.57 121.42 1nb3 h LYS 29 Ca -0.18 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.09 1nb3 h LYS 29 Cb 1.73 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.53 1nb3 h LYS 29 CO 0.06 0.00 -0.50 -1.35 -2.27 0.00 0.00 179.45 175.39 1nb3 h PRO 30 N 0.00 0.00 -0.13 1.90 0.11 -1.80 -2.90 132.00 129.19 1nb3 h PRO 30 Ca 0.42 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.38 1nb3 h PRO 30 Cb 2.17 0.00 0.01 0.00 0.11 0.00 0.00 31.00 33.28 1nb3 h PRO 30 CO -0.00 0.50 -0.49 1.96 -0.21 0.00 0.00 178.00 179.76 1nb3 h GLN 31 N 0.00 0.55 -0.80 1.05 4.20 -0.62 -0.16 115.11 119.33 1nb3 h GLN 31 Ca -0.01 -0.43 0.05 0.00 0.06 0.00 0.00 58.65 58.33 1nb3 h GLN 31 Cb 1.02 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.84 1nb3 h GLN 31 CO 0.07 1.05 0.53 1.25 -0.67 0.00 0.00 178.83 181.05 1nb3 h LEU 32 N 0.18 0.82 -0.21 1.46 6.46 -1.53 -2.19 115.31 120.29 1nb3 h LEU 32 Ca -0.03 -0.00 -0.22 0.00 -0.12 0.00 0.00 57.88 57.51 1nb3 h LEU 32 Cb 1.12 -0.18 0.01 0.00 -0.73 0.00 0.00 40.66 40.88 1nb3 h LEU 32 CO 0.10 0.55 -0.81 -0.33 -0.62 0.00 0.00 178.44 177.33 1nb3 h GLU 33 N 0.94 0.65 0.00 1.25 5.08 -1.44 -1.32 114.58 119.74 1nb3 h GLU 33 Ca 0.33 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1nb3 h GLU 33 Cb 0.12 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1nb3 h GLU 33 CO -0.11 1.18 0.00 -0.85 -1.00 0.00 0.00 179.01 178.23 1nb3 n GLU 34 N -3.88 0.12 -0.02 2.33 0.28 -0.08 -0.58 120.64 118.82 1nb3 n GLU 34 Ca -0.07 0.20 -0.03 0.00 -0.16 0.00 0.00 57.16 57.10 1nb3 n GLU 34 Cb 0.76 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 32.11 1nb3 n GLU 34 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1nb3 n LYS 35 N -1.27 0.39 0.01 3.44 5.02 -1.09 -4.62 118.16 120.04 1nb3 n LYS 35 Ca 0.04 0.02 0.12 0.00 -2.02 0.00 0.00 58.31 56.47 1nb3 n LYS 35 Cb 0.06 -1.08 0.17 0.00 -0.02 0.00 0.00 35.03 34.16 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 -2.58 0.05 -1.40 -0.18 -2.24 -0.51 -4.95 114.28 102.47 1nb3 n THR 36 Ca -0.07 -0.05 -0.15 0.00 -2.27 0.00 0.00 64.05 61.51 1nb3 n THR 36 Cb 0.58 0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 69.05 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 -1.61 -4.43 -1.67 3.42 5.15 0.26 -4.95 115.26 111.43 1nb3 n ASN 37 Ca 0.05 0.36 0.00 0.00 -0.60 0.00 0.00 54.58 54.39 1nb3 n ASN 37 Cb 0.36 -3.84 0.00 0.00 -0.53 0.00 0.00 39.78 35.76 1nb3 n ASN 37 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1nb3 n GLU 38 N -1.75 1.35 -3.21 1.20 1.02 -1.26 -5.07 120.64 112.91 1nb3 n GLU 38 Ca -0.15 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 56.98 1nb3 n GLU 38 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.93 1nb3 n GLU 38 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1nb3 s THR 39 N 0.61 -0.88 0.47 2.62 2.01 -1.26 -4.87 115.64 114.34 1nb3 s THR 39 Ca 0.00 -0.14 -0.10 0.00 0.31 0.00 0.00 61.69 61.77 1nb3 s THR 39 Cb 0.00 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.78 1nb3 s THR 39 CO 0.00 -0.10 0.84 -0.31 -0.69 0.00 0.00 174.62 174.35 1nb3 s TYR 40 N 2.37 3.52 0.00 4.92 2.02 -1.26 -5.07 117.35 123.85 1nb3 s TYR 40 Ca 0.12 1.06 0.00 0.00 -0.37 0.00 0.00 57.07 57.88 1nb3 s TYR 40 Cb -0.09 -2.48 0.00 0.00 -0.40 0.00 0.00 41.96 38.99 1nb3 s TYR 40 CO -0.19 -0.27 0.00 0.41 -1.57 0.00 0.00 175.55 173.93 1nb3 n GLY 43 N -1.81 0.53 3.74 0.71 0.00 -1.26 -4.95 105.19 102.15 1nb3 n GLY 43 Ca 0.03 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 4.72 -0.31 1.61 -2.85 -1.26 -5.02 119.74 116.63 1nb3 s LYS 44 Ca 0.00 1.56 -0.03 0.00 -1.00 0.00 0.00 55.97 56.50 1nb3 s LYS 44 Cb 0.00 -3.30 0.05 0.00 -2.06 0.00 0.00 37.83 32.52 1nb3 s LYS 44 CO 0.00 0.29 0.03 -0.51 0.10 0.00 0.00 175.35 175.26 1nb3 s LEU 45 N -0.65 4.01 -0.35 2.77 1.43 -1.26 -4.50 118.68 120.13 1nb3 s LEU 45 Ca 0.45 -1.23 -0.16 0.00 -1.03 0.00 0.00 54.13 52.16 1nb3 s LEU 45 Cb -0.27 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 1nb3 s LEU 45 CO 0.33 -0.28 0.40 -0.70 0.23 0.00 0.00 176.35 176.33 1nb3 s GLU 46 N 1.30 3.53 -0.27 1.70 2.12 -0.32 -4.88 118.70 121.87 1nb3 s GLU 46 Ca -0.04 -0.41 -0.34 0.00 0.36 0.00 0.00 54.97 54.54 1nb3 s GLU 46 Cb -0.20 -3.82 -0.10 0.00 0.26 0.00 0.00 34.13 30.27 1nb3 s GLU 46 CO 0.00 -0.58 2.11 0.00 -0.54 0.00 0.00 175.26 176.25 1nb3 n ALA 47 N 5.47 1.10 -0.11 6.30 0.00 -1.26 0.22 120.51 132.22 1nb3 n ALA 47 Ca -0.08 -0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.21 1nb3 n ALA 47 Cb 0.49 -2.59 -0.11 0.00 0.00 0.00 0.00 19.45 17.24 1nb3 n ALA 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1nb3 n VAL 48 N 6.77 1.31 -3.87 0.00 0.31 0.20 -4.56 118.33 118.49 1nb3 n VAL 48 Ca 0.35 -0.56 -0.08 0.00 -0.01 0.00 0.00 64.34 64.04 1nb3 n VAL 48 Cb 0.28 -1.16 -0.02 0.00 -0.91 0.00 0.00 33.84 32.03 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 -2.46 1.84 0.10 5.55 0.74 -0.87 -2.67 119.66 121.89 1nb3 s GLN 49 Ca -0.27 -1.09 -0.26 0.00 0.05 0.00 0.00 55.36 53.79 1nb3 s GLN 49 Cb 0.07 0.60 0.08 0.00 1.10 0.00 0.00 33.01 34.86 1nb3 s GLN 49 CO 0.58 -0.84 0.85 1.52 -0.55 0.00 0.00 175.29 176.84 1nb3 s TYR 50 N -3.67 -0.30 0.04 1.67 1.13 0.53 -1.71 117.35 115.03 1nb3 s TYR 50 Ca 0.13 0.07 0.03 0.00 -1.41 0.00 0.00 57.07 55.89 1nb3 s TYR 50 Cb -0.05 0.59 -0.02 0.00 -1.10 0.00 0.00 41.96 41.37 1nb3 s TYR 50 CO 0.08 -0.74 -0.09 0.15 -2.51 0.00 0.00 175.55 172.44 1nb3 s LYS 51 N -3.35 0.57 0.13 -3.49 1.02 -0.57 -0.95 119.74 113.11 1nb3 s LYS 51 Ca 0.07 -0.72 0.09 0.00 0.02 0.00 0.00 55.97 55.43 1nb3 s LYS 51 Cb -0.02 -0.41 -0.04 0.00 -0.52 0.00 0.00 37.83 36.85 1nb3 s LYS 51 CO -0.05 0.08 -0.17 0.99 -0.92 0.00 0.00 175.35 175.28 1nb3 s THR 52 N -1.19 2.88 -0.07 2.17 2.01 -1.26 -0.56 115.64 119.61 1nb3 s THR 52 Ca -0.07 -1.55 -0.04 0.00 0.31 0.00 0.00 61.69 60.34 1nb3 s THR 52 Cb -0.09 -2.34 0.03 0.00 0.01 0.00 0.00 72.50 70.11 1nb3 s THR 52 CO 0.01 0.06 0.16 -1.58 -0.69 0.00 0.00 174.62 172.58 1nb3 s GLN 53 N -2.26 0.14 -0.47 4.92 0.74 -0.91 -0.97 119.66 120.85 1nb3 s GLN 53 Ca 0.19 0.34 -0.20 0.00 0.05 0.00 0.00 55.36 55.74 1nb3 s GLN 53 Cb -0.10 -0.08 0.04 0.00 1.10 0.00 0.00 33.01 33.97 1nb3 s GLN 53 CO 0.11 -0.11 0.64 0.14 -0.55 0.00 0.00 175.29 175.52 1nb3 s VAL 54 N 0.80 4.83 0.00 1.34 -7.23 -1.26 -1.18 120.40 117.70 1nb3 s VAL 54 Ca -0.06 -0.17 0.00 0.00 -1.81 0.00 0.00 61.98 59.94 1nb3 s VAL 54 Cb -0.08 -4.26 0.00 0.00 0.56 0.00 0.00 36.38 32.61 1nb3 s VAL 54 CO -0.04 -0.71 0.00 1.33 -0.31 0.00 0.00 175.10 175.37 1nb3 n VAL 55 N 5.75 0.00 -1.70 1.32 0.24 -1.26 -4.73 118.33 117.95 1nb3 n VAL 55 Ca -0.04 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.85 1nb3 n VAL 55 Cb 0.47 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.83 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 6.35 0.00 2.33 0.00 -1.26 -4.59 120.51 120.33 1nb3 n ALA 56 Ca 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 53.44 49.60 1nb3 n ALA 56 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 19.45 16.12 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 3.50 0.94 3.25 0.00 0.00 -1.26 -4.43 105.19 107.18 1nb3 n GLY 57 Ca 0.61 -1.84 -0.24 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.11 1.60 -0.29 2.61 2.01 0.13 -4.56 115.64 114.04 1nb3 s THR 58 Ca 0.00 -1.33 0.02 0.00 0.31 0.00 0.00 61.69 60.69 1nb3 s THR 58 Cb 0.00 -1.43 0.07 0.00 0.01 0.00 0.00 72.50 71.15 1nb3 s THR 58 CO 0.00 0.05 -0.04 0.20 -0.69 0.00 0.00 174.62 174.14 1nb3 s ASN 59 N -1.52 4.65 0.20 3.53 0.01 -0.33 0.20 114.94 121.68 1nb3 s ASN 59 Ca 0.06 -1.55 -0.24 0.00 -0.71 0.00 0.00 52.86 50.42 1nb3 s ASN 59 Cb -0.09 -1.61 -0.08 0.00 0.41 0.00 0.00 41.25 39.87 1nb3 s ASN 59 CO 0.03 -0.26 0.77 -0.31 -1.51 0.00 0.00 177.10 175.82 1nb3 s TYR 60 N 1.10 3.81 -0.45 2.20 2.02 0.46 -2.13 117.35 124.35 1nb3 s TYR 60 Ca -0.04 1.57 0.04 0.00 -0.37 0.00 0.00 57.07 58.27 1nb3 s TYR 60 Cb -0.20 -2.73 0.12 0.00 -0.40 0.00 0.00 41.96 38.75 1nb3 s TYR 60 CO -0.05 0.44 0.19 0.71 -1.57 0.00 0.00 175.55 175.27 1nb3 s TYR 61 N -1.30 3.14 -0.18 2.71 1.51 0.27 -1.47 117.35 122.03 1nb3 s TYR 61 Ca 0.39 -2.98 -0.17 0.00 -1.01 0.00 0.00 57.07 53.30 1nb3 s TYR 61 Cb -0.21 -2.69 -0.04 0.00 -0.11 0.00 0.00 41.96 38.91 1nb3 s TYR 61 CO 0.24 -0.81 0.45 0.42 -1.11 0.00 0.00 175.55 174.74 1nb3 s ILE 62 N 0.19 5.17 -0.55 2.71 1.01 0.38 -1.52 121.20 128.60 1nb3 s ILE 62 Ca 0.15 0.84 -0.19 0.00 0.00 0.00 0.00 60.65 61.45 1nb3 s ILE 62 Cb -0.24 -3.78 0.08 0.00 0.01 0.00 0.00 42.46 38.54 1nb3 s ILE 62 CO -0.03 0.26 0.66 -0.75 0.00 0.00 0.00 174.94 175.08 1nb3 s LYS 63 N 1.18 3.07 -0.23 2.79 2.20 -0.70 0.12 119.74 128.18 1nb3 s LYS 63 Ca 0.22 -1.14 -0.09 0.00 -0.36 0.00 0.00 55.97 54.61 1nb3 s LYS 63 Cb -0.15 -4.19 -0.04 0.00 -1.51 0.00 0.00 37.83 31.94 1nb3 s LYS 63 CO 0.09 -1.39 0.11 0.08 -0.36 0.00 0.00 175.35 173.87 1nb3 s VAL 64 N 2.64 4.88 -0.42 4.02 1.01 0.00 0.60 120.40 133.13 1nb3 s VAL 64 Ca 0.13 0.01 -0.22 0.00 0.00 0.00 0.00 61.98 61.90 1nb3 s VAL 64 Cb -0.22 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 32.91 1nb3 s VAL 64 CO 0.09 0.36 0.72 -0.60 0.00 0.00 0.00 175.10 175.66 1nb3 s ARG 65 N 1.18 3.47 -0.38 2.72 3.00 0.13 -0.61 118.95 128.47 1nb3 s ARG 65 Ca 0.06 -0.09 0.03 0.00 -1.00 0.00 0.00 55.73 54.73 1nb3 s ARG 65 Cb -0.14 -3.90 0.16 0.00 0.00 0.00 0.00 34.95 31.07 1nb3 s ARG 65 CO 0.04 -0.98 0.37 0.00 0.00 0.00 0.00 175.30 174.74 1nb3 s ALA 66 N 3.02 -0.17 0.00 6.12 0.00 -0.09 -1.18 121.76 129.46 1nb3 s ALA 66 Ca 0.27 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1nb3 s ALA 66 Cb -0.13 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.00 1nb3 s ALA 66 CO 0.19 -2.14 0.00 0.41 0.00 0.00 0.00 175.76 174.23 1nb3 n GLY 67 N 4.02 4.73 0.00 0.00 0.00 -1.23 -4.71 105.19 108.01 1nb3 n GLY 67 Ca 0.13 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1nb3 n GLY 67 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nb3 n ASP 68 N 0.00 0.00 -2.59 1.61 2.03 -1.26 -1.17 116.55 115.17 1nb3 n ASP 68 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 1nb3 n ASP 68 Cb 0.00 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 1nb3 n ASP 68 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1nb3 n ASN 92 N -0.97 2.59 -4.34 1.67 3.02 -1.26 -5.03 115.26 110.94 1nb3 n ASN 92 Ca 0.00 -2.91 -0.36 0.00 -0.03 0.00 0.00 54.58 51.29 1nb3 n ASN 92 Cb 0.00 -0.48 -0.13 0.00 -0.61 0.00 0.00 39.78 38.55 1nb3 n ASN 92 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1nb3 s LYS 93 N -3.41 3.35 0.11 3.52 1.02 -0.32 -4.83 119.74 119.18 1nb3 s LYS 93 Ca 0.34 -0.66 0.08 0.00 0.02 0.00 0.00 55.97 55.76 1nb3 s LYS 93 Cb 0.41 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 1nb3 s LYS 93 CO -0.03 -0.25 -0.15 0.71 -0.92 0.00 0.00 175.35 174.70 1nb3 s TYR 94 N 1.50 2.60 0.16 3.18 4.12 -0.92 -0.92 117.35 127.07 1nb3 s TYR 94 Ca 0.05 -0.23 0.07 0.00 0.02 0.00 0.00 57.07 56.98 1nb3 s TYR 94 Cb -0.15 -1.37 -0.04 0.00 -1.52 0.00 0.00 41.96 38.88 1nb3 s TYR 94 CO -0.01 0.40 -0.14 1.41 0.02 0.00 0.00 175.55 177.23 1nb3 s MET 95 N -2.18 1.17 -0.32 -0.62 1.75 0.22 -1.38 119.30 117.94 1nb3 s MET 95 Ca 0.19 -1.40 0.04 0.00 -1.25 0.00 0.00 55.69 53.26 1nb3 s MET 95 Cb -0.11 -1.02 0.09 0.00 2.84 0.00 0.00 34.83 36.64 1nb3 s MET 95 CO 0.11 0.18 0.02 -1.01 -0.65 0.00 0.00 175.02 173.68 1nb3 s HIS 96 N -2.52 3.56 0.25 4.11 3.76 -0.75 -0.82 115.29 122.88 1nb3 s HIS 96 Ca 0.15 -2.80 -0.04 0.00 -0.15 0.00 0.00 55.06 52.22 1nb3 s HIS 96 Cb -0.03 -2.67 -0.05 0.00 1.11 0.00 0.00 32.58 30.94 1nb3 s HIS 96 CO 0.04 -0.93 0.49 -0.51 -0.85 0.00 0.00 174.74 172.99 1nb3 s LEU 97 N 0.98 4.13 -0.22 0.89 1.02 0.12 -1.39 118.68 124.21 1nb3 s LEU 97 Ca 0.07 0.63 0.00 0.00 0.02 0.00 0.00 54.13 54.86 1nb3 s LEU 97 Cb -0.19 -3.42 0.06 0.00 0.02 0.00 0.00 46.19 42.65 1nb3 s LEU 97 CO -0.08 -0.12 -0.05 -0.75 0.02 0.00 0.00 176.35 175.36 1nb3 s LYS 98 N -3.36 1.60 -0.03 1.70 2.20 -0.59 -0.47 119.74 120.79 1nb3 s LYS 98 Ca 0.42 -0.90 0.02 0.00 -0.36 0.00 0.00 55.97 55.15 1nb3 s LYS 98 Cb -0.11 -2.50 -0.03 0.00 -1.51 0.00 0.00 37.83 33.68 1nb3 s LYS 98 CO 0.29 -0.57 -0.09 0.08 -0.36 0.00 0.00 175.35 174.70 1nb3 s VAL 99 N 1.44 3.53 -0.28 4.02 1.01 -0.54 -1.73 120.40 127.86 1nb3 s VAL 99 Ca -0.05 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 1nb3 s VAL 99 Cb -0.18 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 1nb3 s VAL 99 CO -0.07 0.51 0.08 0.12 0.00 0.00 0.00 175.10 175.75 1nb3 s PHE 100 N -0.87 3.12 -0.15 5.22 2.19 -0.67 0.17 117.98 126.99 1nb3 s PHE 100 Ca 0.14 -0.69 -0.14 0.00 0.33 0.00 0.00 56.93 56.57 1nb3 s PHE 100 Cb -0.11 -2.26 -0.05 0.00 -1.31 0.00 0.00 43.02 39.29 1nb3 s PHE 100 CO 0.04 -0.47 0.30 0.21 1.83 0.00 0.00 175.22 177.12 1nb3 s LYS 101 N 1.56 4.23 1.35 10.12 2.20 0.55 -2.91 119.74 136.83 1nb3 s LYS 101 Ca 0.05 0.12 -0.23 0.00 -0.36 0.00 0.00 55.97 55.55 1nb3 s LYS 101 Cb -0.16 -3.41 0.35 0.00 -1.51 0.00 0.00 37.83 33.09 1nb3 s LYS 101 CO 0.03 0.26 0.92 0.45 -0.36 0.00 0.00 175.35 176.65 1nb3 n SER 102 N 3.48 -3.41 -4.68 1.43 2.88 -1.26 0.19 113.62 112.24 1nb3 n SER 102 Ca -0.12 -0.95 -0.35 0.00 -1.33 0.00 0.00 58.87 56.12 1nb3 n SER 102 Cb 0.52 -0.97 -0.09 0.00 -0.75 0.00 0.00 64.21 62.92 1nb3 n SER 102 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1nb3 s LEU 102 N 0.00 3.97 0.10 2.46 1.43 -1.26 -4.35 118.68 121.03 1nb3 s LEU 102 Ca 0.66 0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.99 1nb3 s LEU 102 Cb -0.10 -2.01 0.34 0.00 0.03 0.00 0.00 46.19 44.45 1nb3 s LEU 102 CO 0.54 0.20 0.35 -2.65 0.23 0.00 0.00 176.35 175.02 1nb3 n PRO 103 N 3.39 -0.01 0.00 1.29 -0.02 -1.26 -3.61 135.00 134.78 1nb3 n PRO 103 Ca -0.17 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1nb3 n PRO 103 Cb 0.52 -0.56 0.00 0.00 -0.02 0.00 0.00 33.50 33.45 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 -1.12 0.00 3.51 -1.23 0.00 -1.26 -4.77 105.19 100.32 1nb3 n GLY 104 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 -1.04 -0.53 1.61 1.11 -1.24 -4.97 119.66 114.61 1nb3 s GLN 105 Ca 0.00 0.53 -0.19 0.00 0.01 0.00 0.00 55.36 55.71 1nb3 s GLN 105 Cb 0.00 -1.57 0.07 0.00 -1.01 0.00 0.00 33.01 30.51 1nb3 s GLN 105 CO 0.00 -3.72 0.64 1.21 0.01 0.00 0.00 175.29 173.43 1nb3 s ASN 105 N -2.98 6.21 -0.11 5.90 2.47 -1.26 -4.88 114.94 120.28 1nb3 s ASN 105 Ca 0.68 -1.07 -0.22 0.00 0.42 0.00 0.00 52.86 52.68 1nb3 s ASN 105 Cb -0.20 -2.29 0.05 0.00 -1.45 0.00 0.00 41.25 37.36 1nb3 s ASN 105 CO 0.61 -0.95 0.53 -0.70 -3.72 0.00 0.00 177.10 172.87 1nb3 s GLU 106 N 2.63 0.77 0.17 0.43 2.12 -1.26 -5.18 118.70 118.39 1nb3 s GLU 106 Ca 0.14 0.39 -0.01 0.00 0.36 0.00 0.00 54.97 55.85 1nb3 s GLU 106 Cb -0.21 0.37 0.04 0.00 0.26 0.00 0.00 34.13 34.58 1nb3 s GLU 106 CO 0.10 -0.18 0.24 -0.25 -0.54 0.00 0.00 175.26 174.63 1nb3 n ASP 107 N 1.86 0.25 -4.78 -1.70 8.00 -1.26 -4.76 116.55 114.16 1nb3 n ASP 107 Ca -0.17 -1.23 -0.33 0.00 0.71 0.00 0.00 54.79 53.77 1nb3 n ASP 107 Cb 0.56 -0.16 0.02 0.00 -0.02 0.00 0.00 41.12 41.52 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 3.55 -0.03 0.64 2.01 -1.26 -4.41 118.68 119.18 1nb3 s LEU 108 Ca 0.15 1.98 0.01 0.00 0.01 0.00 0.00 54.13 56.28 1nb3 s LEU 108 Cb -0.01 -4.55 0.02 0.00 0.01 0.00 0.00 46.19 41.66 1nb3 s LEU 108 CO 0.10 -1.31 -0.01 -0.69 1.01 0.00 0.00 176.35 175.45 1nb3 s VAL 109 N -2.21 0.20 -0.64 -1.59 1.01 -1.15 -4.99 120.40 111.04 1nb3 s VAL 109 Ca 0.67 0.04 -0.26 0.00 0.00 0.00 0.00 61.98 62.44 1nb3 s VAL 109 Cb -0.20 -0.28 0.04 0.00 0.00 0.00 0.00 36.38 35.94 1nb3 s VAL 109 CO 0.35 0.14 1.14 -0.22 0.00 0.00 0.00 175.10 176.51 1nb3 s LEU 110 N 0.86 3.61 0.00 3.92 2.96 -1.26 -1.67 118.68 127.09 1nb3 s LEU 110 Ca -0.09 -0.35 0.23 0.00 -0.22 0.00 0.00 54.13 53.71 1nb3 s LEU 110 Cb -0.12 -2.77 0.16 0.00 0.50 0.00 0.00 46.19 43.96 1nb3 s LEU 110 CO -0.01 -1.56 1.19 0.35 -1.32 0.00 0.00 176.35 175.00 1nb3 n THR 111 N 6.37 0.00 -3.61 3.68 -2.24 -0.70 -5.00 114.28 112.77 1nb3 n THR 111 Ca 0.03 -0.22 -0.02 0.00 -2.27 0.00 0.00 64.05 61.57 1nb3 n THR 111 Cb 0.48 1.05 -0.01 0.00 -2.10 0.00 0.00 70.33 69.75 1nb3 n THR 111 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1nb3 s GLY 112 N -2.50 -0.35 -0.29 3.38 0.00 -1.14 -5.01 107.32 101.41 1nb3 s GLY 112 Ca 0.20 1.05 -0.16 0.00 0.00 0.00 0.00 44.72 45.81 1nb3 s GLY 112 CO 0.57 0.30 0.96 -2.52 0.00 0.00 0.00 173.10 172.41 1nb3 s TYR 113 N -2.54 -0.64 -0.09 1.90 -0.85 -1.26 -1.54 117.35 112.33 1nb3 s TYR 113 Ca 0.11 1.21 -0.05 0.00 -0.52 0.00 0.00 57.07 57.82 1nb3 s TYR 113 Cb 0.01 0.38 -0.04 0.00 0.38 0.00 0.00 41.96 42.70 1nb3 s TYR 113 CO -0.04 -0.32 0.13 -0.65 -1.52 0.00 0.00 175.55 173.16 1nb3 s GLN 114 N 1.72 3.38 0.32 -3.49 -0.21 -0.48 -5.00 119.66 115.88 1nb3 s GLN 114 Ca -0.07 -0.21 0.06 0.00 0.02 0.00 0.00 55.36 55.16 1nb3 s GLN 114 Cb -0.05 -3.12 -0.06 0.00 1.00 0.00 0.00 33.01 30.79 1nb3 s GLN 114 CO -0.16 0.74 -0.02 0.08 -2.12 0.00 0.00 175.29 173.81 1nb3 s VAL 115 N -1.09 1.66 -0.24 1.09 1.01 -1.26 -1.81 120.40 119.76 1nb3 s VAL 115 Ca 0.18 -2.09 0.00 0.00 0.00 0.00 0.00 61.98 60.07 1nb3 s VAL 115 Cb -0.12 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.62 1nb3 s VAL 115 CO 0.07 -0.17 0.00 0.47 0.00 0.00 0.00 175.10 175.47 1nb3 n ASP 115 N -0.69 -3.54 -4.74 3.32 8.00 -1.25 -4.96 116.55 112.69 1nb3 n ASP 115 Ca -0.05 0.06 -0.34 0.00 0.71 0.00 0.00 54.79 55.18 1nb3 n ASP 115 Cb 0.65 -1.24 0.07 0.00 -0.02 0.00 0.00 41.12 40.58 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 -1.47 2.42 0.75 -1.24 -0.14 -0.48 -4.89 119.74 114.69 1nb3 s LYS 116 Ca 0.00 1.57 -0.01 0.00 -1.36 0.00 0.00 55.97 56.17 1nb3 s LYS 116 Cb 0.00 -1.89 0.15 0.00 -1.68 0.00 0.00 37.83 34.41 1nb3 s LYS 116 CO 0.00 -1.58 1.03 -0.80 -0.76 0.00 0.00 175.35 173.25 1nb3 s ASN 117 N -2.33 4.15 0.34 2.83 0.02 -1.26 -2.17 114.94 116.52 1nb3 s ASN 117 Ca 0.70 -0.47 0.17 0.00 -1.02 0.00 0.00 52.86 52.25 1nb3 s ASN 117 Cb -0.25 0.20 0.50 0.00 0.02 0.00 0.00 41.25 41.72 1nb3 s ASN 117 CO 0.44 -2.01 1.65 0.50 0.02 0.00 0.00 177.10 177.70 1nb3 h LYS 118 N -0.64 0.00 0.00 -0.60 3.64 -1.95 -3.34 116.57 113.68 1nb3 h LYS 118 Ca -0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1nb3 h LYS 118 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1nb3 h LYS 118 CO 0.37 0.43 -1.72 -0.25 -2.27 0.00 0.00 179.45 176.01 1nb3 n ASP 119 N -3.44 1.25 -4.66 4.20 10.43 -1.26 -4.97 116.55 118.10 1nb3 n ASP 119 Ca 0.00 -0.02 -0.64 0.00 2.57 0.00 0.00 54.79 56.70 1nb3 n ASP 119 Cb 0.58 1.73 -0.09 0.00 1.84 0.00 0.00 41.12 45.17 1nb3 n ASP 119 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1nb3 n ASP 120 N -2.05 1.49 -4.77 -2.24 8.00 -1.25 -4.82 116.55 110.91 1nb3 n ASP 120 Ca -0.03 1.06 -0.41 0.00 0.71 0.00 0.00 54.79 56.12 1nb3 n ASP 120 Cb 0.42 -0.97 -0.01 0.00 -0.02 0.00 0.00 41.12 40.55 1nb3 n ASP 120 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1nb3 s GLU 121 N 3.69 4.18 0.29 -1.24 2.56 -1.26 -4.91 118.70 122.02 1nb3 s GLU 121 Ca 1.06 2.47 -0.29 0.00 0.00 0.00 0.00 54.97 58.20 1nb3 s GLU 121 Cb -1.36 -3.01 -0.10 0.00 2.00 0.00 0.00 34.13 31.66 1nb3 s GLU 121 CO 0.74 -0.46 1.18 -0.51 -0.56 0.00 0.00 175.26 175.65 1nb3 s LEU 122 N -1.69 4.50 0.12 2.70 1.43 -1.26 -5.03 118.68 119.46 1nb3 s LEU 122 Ca 0.54 2.41 -0.08 0.00 -1.03 0.00 0.00 54.13 55.97 1nb3 s LEU 122 Cb -0.45 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.13 1nb3 s LEU 122 CO 0.57 -0.29 0.22 0.42 0.23 0.00 0.00 176.35 177.50 1nb3 s THR 123 N -1.08 0.11 0.47 5.49 -4.23 -1.26 -5.05 115.64 110.09 1nb3 s THR 123 Ca 0.47 -1.32 -0.24 0.00 -1.18 0.00 0.00 61.69 59.41 1nb3 s THR 123 Cb -0.35 -1.61 -0.08 0.00 1.34 0.00 0.00 72.50 71.81 1nb3 s THR 123 CO 0.45 -0.49 1.29 0.61 -0.54 0.00 0.00 174.62 175.94 1nb3 n GLY 124 N -0.13 0.60 0.00 3.99 0.00 -1.26 -5.05 105.19 103.34 1nb3 n GLY 124 Ca -0.11 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1nb3 n GLY 124 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29