#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9j s ILE 2 N 0.00 5.25 0.77 1.12 2.07 -1.26 -5.11 121.20 124.04 1n9j s ILE 2 Ca 0.00 0.59 -0.12 0.00 -1.41 0.00 0.00 60.65 59.71 1n9j s ILE 2 Cb 0.00 -3.61 0.06 0.00 0.13 0.00 0.00 42.46 39.04 1n9j s ILE 2 CO 0.00 0.51 1.13 -2.16 -1.91 0.00 0.00 174.94 172.51 1n9j s PRO 3 N -0.46 2.07 1.30 3.50 0.04 -1.26 -5.06 135.00 135.12 1n9j s PRO 3 Ca 0.19 1.40 -0.19 0.00 0.04 0.00 0.00 61.00 62.44 1n9j s PRO 3 Cb -0.14 -1.86 0.31 0.00 0.04 0.00 0.00 34.50 32.85 1n9j s PRO 3 CO 0.08 -1.82 0.77 0.41 0.04 0.00 0.00 177.00 176.48 1n9j n GLY 4 N -0.48 -2.99 0.00 0.56 0.00 -1.26 -5.01 105.19 96.00 1n9j n GLY 4 Ca 0.11 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1n9j n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n9j n GLY 5 N 1.67 4.28 3.77 -0.02 0.00 -1.26 -5.12 105.19 108.52 1n9j n GLY 5 Ca 0.07 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.25 1n9j n GLY 5 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n9j s LEU 6 N 0.00 4.01 0.00 0.99 1.02 -1.26 -4.48 118.68 118.96 1n9j s LEU 6 Ca 0.00 2.30 -0.10 0.00 0.02 0.00 0.00 54.13 56.35 1n9j s LEU 6 Cb 0.00 -4.25 0.16 0.00 0.02 0.00 0.00 46.19 42.12 1n9j s LEU 6 CO 0.00 -0.92 0.48 -0.24 0.02 0.00 0.00 176.35 175.69 1n9j n SER 7 N -0.50 -1.99 -4.77 2.29 2.88 -0.67 -4.88 113.62 105.97 1n9j n SER 7 Ca 0.07 -0.69 -0.41 0.00 -1.33 0.00 0.00 58.87 56.52 1n9j n SER 7 Cb 0.48 -0.47 -0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1n9j n SER 7 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1n9j s GLU 8 N -4.11 4.04 -0.52 -1.46 2.12 -1.26 -4.43 118.70 113.08 1n9j s GLU 8 Ca 0.33 2.46 -0.25 0.00 0.36 0.00 0.00 54.97 57.86 1n9j s GLU 8 Cb -0.04 -2.90 0.03 0.00 0.26 0.00 0.00 34.13 31.49 1n9j s GLU 8 CO 0.26 -0.55 0.98 0.00 -0.54 0.00 0.00 175.26 175.41 1n9j s ALA 9 N -1.15 3.17 -0.24 6.30 0.00 -1.26 -4.49 121.76 124.09 1n9j s ALA 9 Ca 0.54 -0.97 -0.17 0.00 0.00 0.00 0.00 51.96 51.36 1n9j s ALA 9 Cb -0.44 -3.75 -0.03 0.00 0.00 0.00 0.00 23.12 18.90 1n9j s ALA 9 CO 0.59 -2.29 0.48 0.15 0.00 0.00 0.00 175.76 174.69 1n9j s LYS 10 N 4.04 4.11 0.00 0.00 -0.14 -0.93 -4.86 119.74 121.96 1n9j s LYS 10 Ca 0.36 0.30 0.04 0.00 -1.36 0.00 0.00 55.97 55.30 1n9j s LYS 10 Cb -0.11 -3.61 0.21 0.00 -1.68 0.00 0.00 37.83 32.65 1n9j s LYS 10 CO 0.24 -0.24 0.57 -0.35 -0.76 0.00 0.00 175.35 174.80 1n9j n PRO 11 N 5.14 0.30 0.00 -1.68 -0.04 -1.26 -2.36 135.00 135.11 1n9j n PRO 11 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1n9j n PRO 11 Cb 0.50 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 1n9j n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n9j n ALA 12 N -0.68 0.00 -1.22 0.55 0.00 -0.83 -3.70 120.51 114.63 1n9j n ALA 12 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.15 1n9j n ALA 12 Cb 0.01 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.56 1n9j n ALA 12 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1n9j s THR 13 N 0.00 3.11 0.37 0.00 -4.23 -1.26 -4.89 115.64 108.73 1n9j s THR 13 Ca 0.00 0.39 0.06 0.00 -1.18 0.00 0.00 61.69 60.96 1n9j s THR 13 Cb 0.00 -2.82 0.29 0.00 1.34 0.00 0.00 72.50 71.31 1n9j s THR 13 CO 0.00 -0.44 1.97 1.55 -0.54 0.00 0.00 174.62 177.16 1n9j h PRO 14 N -1.03 0.72 -0.20 3.99 0.13 -2.00 -2.48 132.00 131.13 1n9j h PRO 14 Ca -0.44 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.68 1n9j h PRO 14 Cb 1.24 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 1n9j h PRO 14 CO 0.50 0.48 0.00 0.93 -0.23 0.00 0.00 178.00 179.68 1n9j h GLU 15 N 0.74 0.06 -0.47 0.86 5.08 -1.99 -2.40 114.58 116.47 1n9j h GLU 15 Ca 0.29 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.74 1n9j h GLU 15 Cb 0.20 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.34 1n9j h GLU 15 CO -0.09 0.04 -0.16 0.82 -1.00 0.00 0.00 179.01 178.62 1n9j h ILE 16 N 0.07 0.45 -0.64 3.13 2.04 -1.82 -0.09 117.51 120.66 1n9j h ILE 16 Ca 0.09 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.88 1n9j h ILE 16 Cb 0.12 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 1n9j h ILE 16 CO -0.16 0.00 0.12 -0.61 0.00 0.00 0.00 178.15 177.50 1n9j h GLN 17 N -0.05 1.04 -0.85 2.37 -0.00 -1.47 -2.03 115.11 114.12 1n9j h GLN 17 Ca 0.23 -0.27 -0.02 0.00 -0.00 0.00 0.00 58.65 58.59 1n9j h GLN 17 Cb 0.40 -0.13 -0.04 0.00 0.00 0.00 0.00 27.48 27.71 1n9j h GLN 17 CO -0.51 0.96 0.47 1.49 0.00 0.00 0.00 178.83 181.23 1n9j h GLU 18 N 0.96 1.18 0.72 1.69 4.81 -1.12 -0.99 114.58 121.84 1n9j h GLU 18 Ca 0.20 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1n9j h GLU 18 Cb 0.41 -0.23 0.01 0.00 0.63 0.00 0.00 28.75 29.56 1n9j h GLU 18 CO 0.01 0.86 -0.35 0.82 -0.73 0.00 0.00 179.01 179.62 1n9j h ILE 19 N 1.19 0.15 -0.92 2.32 2.04 -0.81 -2.22 117.51 119.26 1n9j h ILE 19 Ca 0.30 -0.21 0.14 0.00 1.00 0.00 0.00 64.86 66.09 1n9j h ILE 19 Cb 0.02 0.19 -0.09 0.00 -0.74 0.00 0.00 36.82 36.20 1n9j h ILE 19 CO -0.05 0.01 0.53 1.62 0.00 0.00 0.00 178.15 180.26 1n9j h VAL 20 N -1.15 0.81 0.12 1.67 3.04 -1.43 -0.87 116.25 118.43 1n9j h VAL 20 Ca -0.10 -0.27 0.01 0.00 -1.01 0.00 0.00 66.70 65.33 1n9j h VAL 20 Cb 0.77 -0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 30.00 1n9j h VAL 20 CO 0.16 0.14 -0.13 -0.78 -1.01 0.00 0.00 177.57 175.96 1n9j h ASP 21 N 0.78 -0.33 -0.00 3.17 -0.00 -1.16 0.44 116.42 119.32 1n9j h ASP 21 Ca 0.48 0.03 -0.02 0.00 -0.00 0.00 0.00 57.03 57.53 1n9j h ASP 21 Cb 0.61 0.12 -0.01 0.00 -0.00 0.00 0.00 39.33 40.05 1n9j h ASP 21 CO -0.32 -0.19 -0.03 0.11 -0.00 0.00 0.00 179.24 178.81 1n9j h LYS 22 N -0.27 0.11 0.00 0.28 1.57 -1.24 -3.16 116.57 113.86 1n9j h LYS 22 Ca 0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1n9j h LYS 22 Cb 0.27 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1n9j h LYS 22 CO -0.04 0.15 -0.91 0.28 -0.57 0.00 0.00 179.45 178.36 1n9j n VAL 23 N -4.43 0.14 -0.04 0.50 0.31 -0.35 -4.40 118.33 110.05 1n9j n VAL 23 Ca -0.02 -0.18 -0.10 0.00 -0.01 0.00 0.00 64.34 64.03 1n9j n VAL 23 Cb 0.15 0.26 -0.04 0.00 -0.91 0.00 0.00 33.84 33.31 1n9j n VAL 23 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1n9j h LYS 24 N 0.00 -0.35 -0.87 5.55 3.64 -0.08 0.21 116.57 124.68 1n9j h LYS 24 Ca 0.00 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1n9j h LYS 24 Cb 0.67 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 1n9j h LYS 24 CO 0.00 -0.23 0.43 -1.00 -2.27 0.00 0.00 179.45 176.38 1n9j h PRO 25 N -0.36 1.24 -0.41 1.90 0.13 -1.77 -2.84 132.00 129.88 1n9j h PRO 25 Ca 0.12 -0.17 -0.13 0.00 -0.87 0.00 0.00 66.00 64.94 1n9j h PRO 25 Cb 0.56 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 1n9j h PRO 25 CO -0.43 0.93 -0.27 1.96 -0.23 0.00 0.00 178.00 179.96 1n9j h GLN 26 N 1.23 0.87 -0.25 0.86 4.20 -1.72 -1.77 115.11 118.53 1n9j h GLN 26 Ca 0.30 -0.39 0.01 0.00 0.06 0.00 0.00 58.65 58.63 1n9j h GLN 26 Cb 0.09 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1n9j h GLN 26 CO -0.04 1.03 0.14 1.25 -0.67 0.00 0.00 178.83 180.54 1n9j h LEU 27 N 0.74 0.21 -0.62 1.46 6.46 -0.62 -2.05 115.31 120.89 1n9j h LEU 27 Ca 0.09 0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 57.72 1n9j h LEU 27 Cb 0.83 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.71 1n9j h LEU 27 CO 0.07 0.16 -0.31 -0.33 -0.62 0.00 0.00 178.44 177.41 1n9j h GLU 28 N 0.28 0.74 -0.41 1.25 5.08 -1.42 -1.25 114.58 118.86 1n9j h GLU 28 Ca 0.10 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 1n9j h GLU 28 Cb 0.01 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1n9j h GLU 28 CO -0.05 0.96 0.12 0.93 -1.00 0.00 0.00 179.01 179.96 1n9j h GLU 29 N 0.63 0.65 -0.25 2.33 5.08 -1.39 -0.55 114.58 121.08 1n9j h GLU 29 Ca 0.07 -0.14 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 1n9j h GLU 29 Cb 0.84 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1n9j h GLU 29 CO 0.07 0.65 -0.42 0.87 -1.00 0.00 0.00 179.01 179.18 1n9j h LYS 30 N 0.52 0.74 -0.00 2.33 6.56 -1.32 -3.17 116.57 122.23 1n9j h LYS 30 Ca 0.13 -0.45 0.00 0.00 -1.06 0.00 0.00 60.65 59.27 1n9j h LYS 30 Cb 0.28 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.98 1n9j h LYS 30 CO -0.00 1.08 -0.15 2.41 -2.06 0.00 0.00 179.45 180.72 1n9j n THR 31 N -4.17 0.00 -1.52 -0.16 -1.04 -0.48 -4.97 114.28 101.94 1n9j n THR 31 Ca -0.05 -0.01 -0.14 0.00 -2.04 0.00 0.00 64.05 61.81 1n9j n THR 31 Cb 0.55 -0.24 -0.06 0.00 -1.82 0.00 0.00 70.33 68.77 1n9j n THR 31 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1n9j n ASN 32 N -1.40 -3.85 -4.49 8.00 5.15 -0.26 -4.99 115.26 113.43 1n9j n ASN 32 Ca 0.08 0.33 -0.29 0.00 -0.60 0.00 0.00 54.58 54.10 1n9j n ASN 32 Cb 0.32 -3.52 -0.11 0.00 -0.53 0.00 0.00 39.78 35.94 1n9j n ASN 32 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1n9j s GLU 33 N -3.40 1.78 -0.22 1.20 2.12 -0.92 -4.99 118.70 114.27 1n9j s GLU 33 Ca 0.00 -1.18 -0.09 0.00 0.36 0.00 0.00 54.97 54.07 1n9j s GLU 33 Cb 0.00 -2.11 -0.04 0.00 0.26 0.00 0.00 34.13 32.23 1n9j s GLU 33 CO 0.00 0.48 0.10 0.99 -0.54 0.00 0.00 175.26 176.29 1n9j s THR 34 N -1.14 4.92 0.04 -1.70 2.01 -1.26 -4.26 115.64 114.25 1n9j s THR 34 Ca 0.18 0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.23 1n9j s THR 34 Cb -0.11 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 1n9j s THR 34 CO 0.10 0.40 -0.00 -0.31 -0.69 0.00 0.00 174.62 174.11 1n9j s TYR 35 N 0.85 3.02 0.00 4.92 2.02 -1.26 -5.12 117.35 121.77 1n9j s TYR 35 Ca 0.05 0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.77 1n9j s TYR 35 Cb -0.13 -1.60 0.00 0.00 -0.40 0.00 0.00 41.96 39.83 1n9j s TYR 35 CO 0.03 0.46 0.00 0.41 -1.57 0.00 0.00 175.55 174.88 1n9j n GLY 36 N 1.00 -1.57 3.60 0.71 0.00 -1.26 -4.91 105.19 102.76 1n9j n GLY 36 Ca -0.13 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 1n9j n GLY 36 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1n9j s LYS 37 N 0.00 3.92 -0.33 1.61 2.47 -1.26 -5.08 119.74 121.07 1n9j s LYS 37 Ca 0.00 -0.36 -0.11 0.00 -1.56 0.00 0.00 55.97 53.93 1n9j s LYS 37 Cb 0.00 -3.27 -0.01 0.00 -1.46 0.00 0.00 37.83 33.09 1n9j s LYS 37 CO 0.00 0.17 0.20 -0.51 0.16 0.00 0.00 175.35 175.37 1n9j s LEU 38 N 0.67 4.36 0.03 5.43 1.43 -1.26 -5.08 118.68 124.27 1n9j s LEU 38 Ca 0.04 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 1n9j s LEU 38 Cb -0.13 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1n9j s LEU 38 CO 0.02 -0.22 -0.08 -0.70 0.23 0.00 0.00 176.35 175.59 1n9j s GLU 39 N 1.67 2.43 0.35 1.70 -6.30 -1.26 -4.81 118.70 112.49 1n9j s GLU 39 Ca 0.05 -0.81 -0.28 0.00 -2.50 0.00 0.00 54.97 51.43 1n9j s GLU 39 Cb -0.17 -2.44 -0.12 0.00 0.00 0.00 0.00 34.13 31.40 1n9j s GLU 39 CO 0.09 0.57 1.31 0.00 0.02 0.00 0.00 175.26 177.25 1n9j n ALA 40 N 1.32 1.44 -3.00 6.30 0.00 -1.26 -5.01 120.51 120.30 1n9j n ALA 40 Ca -0.15 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1n9j n ALA 40 Cb 0.52 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1n9j n ALA 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1n9j n VAL 41 N 0.31 0.00 -3.15 0.00 0.31 -1.26 -4.66 118.33 109.88 1n9j n VAL 41 Ca 0.04 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.97 1n9j n VAL 41 Cb 0.37 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.24 1n9j n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n9j s GLN 42 N 3.00 4.21 0.20 5.55 -2.07 -1.24 -1.96 119.66 127.35 1n9j s GLN 42 Ca 0.00 0.57 0.07 0.00 -1.82 0.00 0.00 55.36 54.18 1n9j s GLN 42 Cb 0.00 -3.57 -0.04 0.00 -1.09 0.00 0.00 33.01 28.31 1n9j s GLN 42 CO 0.00 -0.22 0.10 1.52 -1.32 0.00 0.00 175.29 175.37 1n9j s TYR 43 N 1.85 3.01 0.14 9.60 1.13 -0.99 -4.88 117.35 127.22 1n9j s TYR 43 Ca 0.28 -0.09 0.07 0.00 -1.41 0.00 0.00 57.07 55.91 1n9j s TYR 43 Cb -0.16 -1.42 -0.04 0.00 -1.10 0.00 0.00 41.96 39.25 1n9j s TYR 43 CO 0.10 0.53 -0.16 0.15 -2.51 0.00 0.00 175.55 173.67 1n9j s LYS 44 N -3.32 1.12 0.36 -3.49 1.02 -1.26 -2.19 119.74 111.98 1n9j s LYS 44 Ca 0.31 -1.31 0.01 0.00 0.02 0.00 0.00 55.97 55.00 1n9j s LYS 44 Cb -0.09 -1.07 -0.02 0.00 -0.52 0.00 0.00 37.83 36.13 1n9j s LYS 44 CO 0.22 0.21 0.55 0.99 -0.92 0.00 0.00 175.35 176.40 1n9j s THR 45 N -2.13 4.77 -0.02 2.17 2.01 -1.26 -4.89 115.64 116.29 1n9j s THR 45 Ca 0.12 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.56 1n9j s THR 45 Cb -0.05 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.74 1n9j s THR 45 CO 0.04 -0.45 -0.05 -1.10 -0.69 0.00 0.00 174.62 172.37 1n9j s GLN 46 N -4.33 0.59 -0.25 4.92 -1.52 -1.26 -1.67 119.66 116.14 1n9j s GLN 46 Ca 0.42 -0.14 -0.06 0.00 -1.95 0.00 0.00 55.36 53.63 1n9j s GLN 46 Cb -0.10 -0.60 -0.01 0.00 -0.22 0.00 0.00 33.01 32.08 1n9j s GLN 46 CO 0.35 0.02 0.03 0.08 -0.25 0.00 0.00 175.29 175.53 1n9j s VAL 47 N 0.37 3.86 0.36 1.09 1.01 -1.26 -5.03 120.40 120.81 1n9j s VAL 47 Ca -0.04 -0.45 -0.15 0.00 0.00 0.00 0.00 61.98 61.34 1n9j s VAL 47 Cb -0.08 -2.85 -0.09 0.00 0.00 0.00 0.00 36.38 33.36 1n9j s VAL 47 CO -0.00 0.29 0.79 0.54 0.00 0.00 0.00 175.10 176.71 1n9j s VAL 48 N 1.53 4.65 0.01 2.92 0.11 -1.26 -4.81 120.40 123.56 1n9j s VAL 48 Ca 0.05 0.98 0.06 0.00 -2.93 0.00 0.00 61.98 60.13 1n9j s VAL 48 Cb -0.15 -3.64 -0.02 0.00 -1.53 0.00 0.00 36.38 31.04 1n9j s VAL 48 CO 0.01 -0.29 -0.17 0.00 -3.33 0.00 0.00 175.10 171.31 1n9j s ALA 49 N -2.12 1.45 0.13 1.54 0.00 -1.26 -5.16 121.76 116.35 1n9j s ALA 49 Ca 0.55 -0.84 0.09 0.00 0.00 0.00 0.00 51.96 51.76 1n9j s ALA 49 Cb -0.10 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1n9j s ALA 49 CO 0.20 0.33 -0.22 0.20 0.00 0.00 0.00 175.76 176.27 1n9j s GLY 50 N -0.77 1.42 -0.23 0.00 0.00 -1.26 -5.11 107.32 101.36 1n9j s GLY 50 Ca 0.06 -1.40 0.01 0.00 0.00 0.00 0.00 44.72 43.39 1n9j s GLY 50 CO 0.00 -1.41 -0.08 -1.59 0.00 0.00 0.00 173.10 170.03 1n9j s THR 51 N -1.36 1.70 0.30 0.90 2.01 -1.26 -5.10 115.64 112.83 1n9j s THR 51 Ca 0.12 -1.27 -0.03 0.00 0.31 0.00 0.00 61.69 60.82 1n9j s THR 51 Cb -0.09 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 1n9j s THR 51 CO 0.06 -0.03 0.54 0.21 -0.69 0.00 0.00 174.62 174.71 1n9j s ASN 52 N 1.33 6.39 0.04 3.53 3.84 -1.26 -2.77 114.94 126.02 1n9j s ASN 52 Ca -0.06 0.61 0.05 0.00 0.21 0.00 0.00 52.86 53.68 1n9j s ASN 52 Cb -0.19 -2.10 -0.02 0.00 -0.55 0.00 0.00 41.25 38.39 1n9j s ASN 52 CO -0.06 -0.22 -0.15 -0.31 -2.79 0.00 0.00 177.10 173.57 1n9j s TYR 53 N -2.15 1.30 -0.16 0.43 1.51 -0.53 -4.97 117.35 112.77 1n9j s TYR 53 Ca 0.42 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 56.14 1n9j s TYR 53 Cb -0.10 -0.78 0.03 0.00 -0.11 0.00 0.00 41.96 41.00 1n9j s TYR 53 CO 0.32 0.04 -0.11 0.71 -1.11 0.00 0.00 175.55 175.40 1n9j s TYR 54 N -0.81 2.11 0.07 2.71 1.51 -1.26 -0.87 117.35 120.80 1n9j s TYR 54 Ca 0.03 -1.26 0.09 0.00 -1.01 0.00 0.00 57.07 54.91 1n9j s TYR 54 Cb -0.08 -1.54 -0.03 0.00 -0.11 0.00 0.00 41.96 40.20 1n9j s TYR 54 CO 0.01 -0.67 -0.24 0.42 -1.11 0.00 0.00 175.55 173.96 1n9j s ILE 55 N 1.50 1.99 0.01 2.71 1.01 0.41 -4.88 121.20 123.96 1n9j s ILE 55 Ca 0.03 -1.45 0.05 0.00 0.00 0.00 0.00 60.65 59.28 1n9j s ILE 55 Cb -0.14 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 1n9j s ILE 55 CO -0.09 0.21 -0.14 -0.75 0.00 0.00 0.00 174.94 174.16 1n9j s LYS 56 N -1.50 2.29 -0.30 2.79 2.20 -1.26 0.41 119.74 124.37 1n9j s LYS 56 Ca 0.11 -0.85 -0.09 0.00 -0.36 0.00 0.00 55.97 54.77 1n9j s LYS 56 Cb -0.10 -2.31 0.15 0.00 -1.51 0.00 0.00 37.83 34.06 1n9j s LYS 56 CO 0.03 0.57 0.72 0.54 -0.36 0.00 0.00 175.35 176.86 1n9j s VAL 57 N -0.90 -0.87 -0.73 4.02 0.11 0.45 -4.95 120.40 117.53 1n9j s VAL 57 Ca 0.15 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.93 1n9j s VAL 57 Cb -0.11 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.78 1n9j s VAL 57 CO 0.05 0.00 1.24 0.00 -3.33 0.00 0.00 175.10 173.06 1n9j s ARG 58 N 2.81 3.19 -0.53 1.54 1.70 -1.25 -1.70 118.95 124.70 1n9j s ARG 58 Ca 0.01 -0.34 0.04 0.00 -0.47 0.00 0.00 55.73 54.97 1n9j s ARG 58 Cb -0.11 -4.21 0.14 0.00 -0.57 0.00 0.00 34.95 30.20 1n9j s ARG 58 CO -0.19 -2.10 0.30 0.00 -1.08 0.00 0.00 175.30 172.23 1n9j s ALA 59 N 5.49 3.11 0.26 7.88 0.00 -1.25 -4.81 121.76 132.43 1n9j s ALA 59 Ca 0.33 -3.22 0.02 0.00 0.00 0.00 0.00 51.96 49.10 1n9j s ALA 59 Cb -0.09 -2.09 -0.05 0.00 0.00 0.00 0.00 23.12 20.89 1n9j s ALA 59 CO 0.14 -2.04 0.06 0.20 0.00 0.00 0.00 175.76 174.12 1n9j s GLY 60 N -0.36 1.71 0.07 0.00 0.00 -0.50 -4.35 107.32 103.89 1n9j s GLY 60 Ca 0.19 -1.85 -0.33 0.00 0.00 0.00 0.00 44.72 42.72 1n9j s GLY 60 CO -0.03 -1.64 1.63 -1.80 0.00 0.00 0.00 173.10 171.25 1n9j h ASP 61 N 2.39 -0.79 -0.10 1.64 1.82 -2.02 -3.35 116.42 116.01 1n9j h ASP 61 Ca -0.38 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.28 1n9j h ASP 61 Cb 1.24 0.21 0.00 0.00 0.68 0.00 0.00 39.33 41.46 1n9j h ASP 61 CO 0.63 -0.55 0.00 -3.20 -1.61 0.00 0.00 179.24 174.51 1n9j n ASN 62 N -5.49 2.79 -4.59 2.28 2.85 -1.26 -5.11 115.26 106.74 1n9j n ASN 62 Ca -0.14 -2.85 -0.29 0.00 -0.11 0.00 0.00 54.58 51.19 1n9j n ASN 62 Cb 0.37 -0.39 -0.09 0.00 1.24 0.00 0.00 39.78 40.90 1n9j n ASN 62 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1n9j s LYS 63 N -2.50 2.00 -0.06 1.20 3.01 -1.26 -5.14 119.74 117.01 1n9j s LYS 63 Ca 0.30 -2.20 0.04 0.00 -1.01 0.00 0.00 55.97 53.10 1n9j s LYS 63 Cb 0.25 -1.37 -0.00 0.00 -1.01 0.00 0.00 37.83 35.70 1n9j s LYS 63 CO 0.05 -0.24 -0.18 0.71 0.51 0.00 0.00 175.35 176.20 1n9j s TYR 64 N -2.91 1.84 0.05 3.18 1.51 -1.08 -1.41 117.35 118.52 1n9j s TYR 64 Ca 0.23 -0.60 0.05 0.00 -1.01 0.00 0.00 57.07 55.74 1n9j s TYR 64 Cb 0.06 -1.25 -0.04 0.00 -0.11 0.00 0.00 41.96 40.62 1n9j s TYR 64 CO 0.11 -0.23 -0.10 1.41 -1.11 0.00 0.00 175.55 175.64 1n9j s MET 65 N 0.18 2.32 -0.13 -0.62 -2.45 -0.69 -2.37 119.30 115.55 1n9j s MET 65 Ca -0.08 -0.88 -0.03 0.00 -1.25 0.00 0.00 55.69 53.46 1n9j s MET 65 Cb -0.13 -2.38 0.04 0.00 1.25 0.00 0.00 34.83 33.61 1n9j s MET 65 CO 0.04 0.56 0.04 -3.38 1.05 0.00 0.00 175.02 173.32 1n9j s HIS 66 N -1.07 0.64 0.01 4.11 -0.00 -1.02 -0.41 115.29 117.55 1n9j s HIS 66 Ca 0.18 -0.39 0.05 0.00 -0.00 0.00 0.00 55.06 54.90 1n9j s HIS 66 Cb -0.11 -0.83 -0.01 0.00 -0.00 0.00 0.00 32.58 31.63 1n9j s HIS 66 CO 0.10 -0.44 -0.14 -0.48 -0.00 0.00 0.00 174.74 173.77 1n9j s LEU 67 N 1.98 2.07 0.07 5.38 2.34 0.17 0.33 118.68 131.02 1n9j s LEU 67 Ca 0.02 -0.32 -0.19 0.00 0.06 0.00 0.00 54.13 53.71 1n9j s LEU 67 Cb -0.15 -0.69 -0.07 0.00 -0.56 0.00 0.00 46.19 44.73 1n9j s LEU 67 CO -0.07 0.13 0.55 -1.59 -1.06 0.00 0.00 176.35 174.31 1n9j s LYS 68 N -0.59 4.16 -0.13 1.48 -2.85 -0.12 -0.44 119.74 121.25 1n9j s LYS 68 Ca 0.04 0.70 0.00 0.00 -1.00 0.00 0.00 55.97 55.71 1n9j s LYS 68 Cb -0.06 -3.22 0.02 0.00 -2.06 0.00 0.00 37.83 32.51 1n9j s LYS 68 CO 0.00 0.64 -0.11 0.08 0.10 0.00 0.00 175.35 176.05 1n9j s VAL 69 N -1.12 1.34 0.05 1.79 1.01 -0.05 -2.89 120.40 120.53 1n9j s VAL 69 Ca 0.29 -0.49 -0.27 0.00 0.00 0.00 0.00 61.98 61.51 1n9j s VAL 69 Cb -0.19 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 1n9j s VAL 69 CO 0.18 0.42 0.85 0.12 0.00 0.00 0.00 175.10 176.68 1n9j s PHE 70 N 1.57 3.74 0.08 5.22 5.36 -0.20 -1.46 117.98 132.29 1n9j s PHE 70 Ca 0.05 1.59 0.08 0.00 -0.96 0.00 0.00 56.93 57.70 1n9j s PHE 70 Cb -0.13 -2.93 -0.03 0.00 -0.34 0.00 0.00 43.02 39.59 1n9j s PHE 70 CO -0.10 0.20 -0.23 -1.59 -1.46 0.00 0.00 175.22 172.05 1n9j s LYS 71 N 0.15 1.36 0.00 10.12 -2.85 -1.12 -1.33 119.74 126.07 1n9j s LYS 71 Ca 0.43 -1.10 0.00 0.00 -1.00 0.00 0.00 55.97 54.30 1n9j s LYS 71 Cb -0.21 -1.59 0.00 0.00 -2.06 0.00 0.00 37.83 33.96 1n9j s LYS 71 CO 0.25 0.39 0.00 0.43 0.10 0.00 0.00 175.35 176.53 1n9j n SER 72 N 1.44 0.00 -4.83 0.03 7.64 -1.25 -4.03 113.62 112.63 1n9j n SER 72 Ca -0.18 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.32 1n9j n SER 72 Cb 0.53 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.67 1n9j n SER 72 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1n9j s LEU 73 N 0.00 4.43 0.79 -3.43 1.43 -1.26 -4.60 118.68 116.04 1n9j s LEU 73 Ca 0.00 0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 53.82 1n9j s LEU 73 Cb 0.00 -2.49 0.06 0.00 0.03 0.00 0.00 46.19 43.79 1n9j s LEU 73 CO 0.00 0.30 1.09 -2.16 0.23 0.00 0.00 176.35 175.81 1n9j s PRO 74 N -0.81 2.19 -0.03 1.29 0.04 -1.26 -4.11 135.00 132.31 1n9j s PRO 74 Ca 0.22 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1n9j s PRO 74 Cb -0.16 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1n9j s PRO 74 CO 0.11 -1.57 0.00 0.41 0.04 0.00 0.00 177.00 175.99 1n9j n GLY 75 N -1.98 0.46 2.86 0.56 0.00 -1.26 -5.03 105.19 100.79 1n9j n GLY 75 Ca 0.07 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 1n9j n GLY 75 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n9j s GLN 76 N -0.43 1.26 0.19 1.61 -0.21 -1.26 -5.04 119.66 115.78 1n9j s GLN 76 Ca 0.00 -0.61 -0.10 0.00 0.02 0.00 0.00 55.36 54.67 1n9j s GLN 76 Cb 0.00 -2.18 0.11 0.00 1.00 0.00 0.00 33.01 31.94 1n9j s GLN 76 CO 0.00 -0.53 1.74 -0.91 -2.12 0.00 0.00 175.29 173.47 1n9j h ASN 77 N 8.11 0.97 0.52 5.90 4.21 -1.96 -2.91 115.58 130.42 1n9j h ASN 77 Ca -0.20 -0.18 -0.00 0.00 1.21 0.00 0.00 56.30 57.12 1n9j h ASN 77 Cb 1.10 -0.25 -0.00 0.00 -1.12 0.00 0.00 38.32 38.05 1n9j h ASN 77 CO 0.38 0.89 -0.02 -0.08 -1.29 0.00 0.00 177.43 177.31 1n9j h GLU 78 N 0.99 0.00 0.00 0.81 4.81 -1.99 -3.09 114.58 116.11 1n9j h GLU 78 Ca 0.23 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1n9j h GLU 78 Cb 0.24 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1n9j h GLU 78 CO -0.01 0.02 -0.03 -0.44 -0.73 0.00 0.00 179.01 177.82 1n9j h ASP 79 N 0.00 0.00 -3.64 1.04 5.19 -1.84 -3.43 116.42 113.74 1n9j h ASP 79 Ca -0.00 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.84 1n9j h ASP 79 Cb 0.29 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.72 1n9j h ASP 79 CO 0.00 0.03 0.87 -0.76 -3.12 0.00 0.00 179.24 176.26 1n9j s LEU 80 N -6.84 3.73 -0.14 1.55 1.02 -1.17 -3.83 118.68 113.00 1n9j s LEU 80 Ca -0.04 0.52 0.02 0.00 0.02 0.00 0.00 54.13 54.65 1n9j s LEU 80 Cb 0.13 -3.50 0.01 0.00 0.02 0.00 0.00 46.19 42.85 1n9j s LEU 80 CO 0.51 -1.17 -0.19 -0.69 0.02 0.00 0.00 176.35 174.83 1n9j s VAL 81 N 4.24 1.82 -0.28 -1.59 1.01 -0.44 -5.02 120.40 120.13 1n9j s VAL 81 Ca 0.46 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 1n9j s VAL 81 Cb -0.08 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 1n9j s VAL 81 CO 0.28 0.50 1.58 -0.22 0.00 0.00 0.00 175.10 177.25 1n9j s LEU 82 N 1.03 3.76 -0.03 3.92 2.96 -1.26 -1.03 118.68 128.03 1n9j s LEU 82 Ca -0.04 1.38 0.17 0.00 -0.22 0.00 0.00 54.13 55.43 1n9j s LEU 82 Cb -0.15 -3.53 -0.26 0.00 0.50 0.00 0.00 46.19 42.75 1n9j s LEU 82 CO -0.05 -1.36 0.37 0.35 -1.32 0.00 0.00 176.35 174.35 1n9j n THR 83 N 6.70 0.02 -3.69 3.68 -2.24 -1.23 -4.95 114.28 112.57 1n9j n THR 83 Ca 0.19 -0.39 -0.14 0.00 -2.27 0.00 0.00 64.05 61.44 1n9j n THR 83 Cb 0.46 0.10 -0.09 0.00 -2.10 0.00 0.00 70.33 68.70 1n9j n THR 83 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1n9j s GLY 84 N -3.98 -0.38 0.04 3.38 0.00 -1.14 -5.07 107.32 100.17 1n9j s GLY 84 Ca -0.06 1.38 -0.07 0.00 0.00 0.00 0.00 44.72 45.97 1n9j s GLY 84 CO 0.71 1.17 0.14 -2.52 0.00 0.00 0.00 173.10 172.60 1n9j s TYR 85 N 0.10 0.15 0.14 1.90 1.13 -1.26 -0.94 117.35 118.57 1n9j s TYR 85 Ca -0.01 -0.44 0.06 0.00 -1.41 0.00 0.00 57.07 55.27 1n9j s TYR 85 Cb -0.04 -0.10 -0.04 0.00 -1.10 0.00 0.00 41.96 40.69 1n9j s TYR 85 CO 0.01 -0.41 -0.14 -1.14 -2.51 0.00 0.00 175.55 171.36 1n9j s GLN 86 N -2.78 1.11 0.00 -3.49 2.00 0.15 -4.92 119.66 111.73 1n9j s GLN 86 Ca -0.03 -1.34 0.00 0.00 -2.00 0.00 0.00 55.36 51.99 1n9j s GLN 86 Cb -0.00 -0.98 0.00 0.00 0.80 0.00 0.00 33.01 32.83 1n9j s GLN 86 CO -0.05 0.18 0.00 0.28 -0.50 0.00 0.00 175.29 175.20 1n9j n VAL 87 N 0.29 0.00 0.00 1.34 0.31 -1.26 -2.43 118.33 116.58 1n9j n VAL 87 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1n9j n VAL 87 Cb 0.58 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 1n9j n VAL 87 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1n9j n ASP 88 N -2.91 0.00 -4.75 4.52 9.92 -1.03 -3.91 116.55 118.39 1n9j n ASP 88 Ca 0.00 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.88 1n9j n ASP 88 Cb 0.00 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.51 1n9j n ASP 88 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1n9j s LYS 89 N -0.41 3.21 0.72 -1.24 2.36 -1.00 -2.64 119.74 120.74 1n9j s LYS 89 Ca 0.00 2.16 -0.12 0.00 -2.55 0.00 0.00 55.97 55.45 1n9j s LYS 89 Cb 0.00 -2.26 0.17 0.00 -1.05 0.00 0.00 37.83 34.69 1n9j s LYS 89 CO 0.00 -1.11 0.90 0.09 1.55 0.00 0.00 175.35 176.78 1n9j n ASN 90 N -0.98 -0.33 0.32 1.43 3.02 -1.26 -4.17 115.26 113.29 1n9j n ASN 90 Ca 0.10 -1.26 0.15 0.00 -0.03 0.00 0.00 54.58 53.55 1n9j n ASN 90 Cb 0.46 -0.71 0.81 0.00 -0.61 0.00 0.00 39.78 39.72 1n9j n ASN 90 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1n9j h LYS 91 N 0.00 0.00 -0.50 3.52 3.64 -1.96 -2.25 116.57 119.02 1n9j h LYS 91 Ca -0.30 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.19 1n9j h LYS 91 Cb 0.84 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 1n9j h LYS 91 CO 0.21 0.00 0.35 0.22 -2.27 0.00 0.00 179.45 177.95 1n9j h ASP 92 N 0.00 0.15 -2.59 4.20 1.82 -2.04 -3.40 116.42 114.57 1n9j h ASP 92 Ca 0.00 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 56.11 1n9j h ASP 92 Cb 0.60 -0.03 -0.05 0.00 0.68 0.00 0.00 39.33 40.53 1n9j h ASP 92 CO 0.00 0.09 1.16 -0.62 -1.61 0.00 0.00 179.24 178.26 1n9j s ASP 93 N -6.33 5.94 0.15 2.28 -1.08 -0.85 -4.98 116.67 111.80 1n9j s ASP 93 Ca -0.06 0.30 -0.23 0.00 -0.52 0.00 0.00 52.55 52.03 1n9j s ASP 93 Cb 0.19 -2.54 -0.08 0.00 -1.46 0.00 0.00 42.92 39.03 1n9j s ASP 93 CO 0.73 -1.86 0.73 -0.70 0.52 0.00 0.00 175.17 174.59 1n9j s GLU 94 N 5.86 4.45 -0.78 4.34 -6.30 -1.26 -5.00 118.70 120.01 1n9j s GLU 94 Ca 0.56 1.04 -0.24 0.00 -2.50 0.00 0.00 54.97 53.82 1n9j s GLU 94 Cb -0.12 -3.21 0.06 0.00 0.00 0.00 0.00 34.13 30.86 1n9j s GLU 94 CO 0.24 0.56 1.18 -0.51 0.02 0.00 0.00 175.26 176.75 1n9j s LEU 95 N -1.24 3.86 -0.14 2.70 1.02 -1.26 -4.98 118.68 118.64 1n9j s LEU 95 Ca 0.35 -1.00 -0.00 0.00 0.02 0.00 0.00 54.13 53.50 1n9j s LEU 95 Cb -0.22 -2.49 0.03 0.00 0.02 0.00 0.00 46.19 43.53 1n9j s LEU 95 CO 0.24 -1.56 -0.09 0.42 0.02 0.00 0.00 176.35 175.38 1n9j s THR 96 N 4.67 1.22 -0.87 5.49 -4.23 -1.26 -4.71 115.64 115.96 1n9j s THR 96 Ca 0.32 -0.48 -0.05 0.00 -1.18 0.00 0.00 61.69 60.30 1n9j s THR 96 Cb -0.09 -1.24 0.05 0.00 1.34 0.00 0.00 72.50 72.55 1n9j s THR 96 CO 0.06 0.34 0.21 0.61 -0.54 0.00 0.00 174.62 175.30 1n9j n GLY 97 N 4.87 -0.49 0.00 3.99 0.00 -1.26 -5.26 105.19 107.05 1n9j n GLY 97 Ca -0.14 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1n9j n GLY 97 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65