#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 2.29 0.02 1.12 -5.25 -1.26 -5.11 121.20 113.01 1n9j s ILE 2 Ca 0.00 -1.81 -0.29 0.00 -0.99 0.00 0.00 60.65 57.56 1n9j s ILE 2 Cb 0.00 -2.44 -0.04 0.00 2.95 0.00 0.00 42.46 42.93 1n9j s ILE 2 CO 0.00 -0.20 0.93 -2.16 -1.79 0.00 0.00 174.94 171.72 1n9j s PRO 3 N 1.06 4.58 0.00 0.37 0.04 -1.26 -4.52 135.00 135.27 1n9j s PRO 3 Ca -0.03 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1n9j s PRO 3 Cb -0.20 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.91 1n9j s PRO 3 CO -0.05 0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.44 1n9j n GLY 4 N 2.73 0.51 2.89 0.56 0.00 -0.04 -4.82 105.19 107.02 1n9j n GLY 4 Ca 0.04 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.30 1n9j n GLY 4 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n9j s GLY 5 N -0.99 0.32 0.37 -0.02 0.00 -1.26 -4.93 107.32 100.83 1n9j s GLY 5 Ca 0.00 -0.04 -0.27 0.00 0.00 0.00 0.00 44.72 44.41 1n9j s GLY 5 CO 0.00 0.28 1.33 1.08 0.00 0.00 0.00 173.10 175.79 1n9j s LEU 6 N 0.60 4.31 0.00 0.66 1.02 -1.26 -3.87 118.68 120.14 1n9j s LEU 6 Ca -0.07 2.72 -0.01 0.00 0.02 0.00 0.00 54.13 56.79 1n9j s LEU 6 Cb -0.10 -3.77 0.03 0.00 0.02 0.00 0.00 46.19 42.37 1n9j s LEU 6 CO -0.00 -0.73 0.21 -1.20 0.02 0.00 0.00 176.35 174.64 1n9j n SER 7 N 0.43 0.16 -4.77 2.29 7.64 0.13 -4.90 113.62 114.60 1n9j n SER 7 Ca 0.02 -1.16 -0.39 0.00 1.01 0.00 0.00 58.87 58.34 1n9j n SER 7 Cb 0.42 -0.15 0.01 0.00 -1.01 0.00 0.00 64.21 63.49 1n9j n SER 7 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1n9j s GLU 8 N -3.13 3.75 -0.48 1.43 2.12 -1.26 -4.55 118.70 116.58 1n9j s GLU 8 Ca 0.13 2.25 -0.24 0.00 0.36 0.00 0.00 54.97 57.47 1n9j s GLU 8 Cb -0.01 -2.64 0.03 0.00 0.26 0.00 0.00 34.13 31.77 1n9j s GLU 8 CO 0.09 -0.70 0.88 0.00 -0.54 0.00 0.00 175.26 174.99 1n9j s ALA 9 N -1.26 3.24 -0.11 6.30 0.00 -1.26 -4.44 121.76 124.23 1n9j s ALA 9 Ca 0.60 -0.98 -0.19 0.00 0.00 0.00 0.00 51.96 51.40 1n9j s ALA 9 Cb -0.40 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.07 1n9j s ALA 9 CO 0.51 -2.10 0.50 0.15 0.00 0.00 0.00 175.76 174.83 1n9j s LYS 10 N 3.65 4.34 0.00 0.00 -0.14 -0.90 -4.86 119.74 121.83 1n9j s LYS 10 Ca 0.33 0.50 0.01 0.00 -1.36 0.00 0.00 55.97 55.45 1n9j s LYS 10 Cb -0.11 -3.43 0.05 0.00 -1.68 0.00 0.00 37.83 32.65 1n9j s LYS 10 CO 0.23 0.16 0.38 -0.35 -0.76 0.00 0.00 175.35 175.02 1n9j n PRO 11 N 3.63 0.32 0.00 -1.68 -0.04 -1.26 -2.41 135.00 133.56 1n9j n PRO 11 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1n9j n PRO 11 Cb 0.52 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 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 -0.54 0.00 -2.25 0.55 0.00 -0.57 -3.79 120.51 113.91 1n9j n ALA 12 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 1n9j n ALA 12 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.57 0.54 0.29 0.00 -4.23 -1.26 -4.99 115.64 105.42 1n9j s THR 13 Ca 0.00 -1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1n9j s THR 13 Cb 0.00 -2.28 0.27 0.00 1.34 0.00 0.00 72.50 71.83 1n9j s THR 13 CO 0.00 -0.31 1.94 1.55 -0.54 0.00 0.00 174.62 177.25 1n9j h PRO 14 N 2.62 1.07 -0.85 3.99 0.13 -2.01 -2.49 132.00 134.47 1n9j h PRO 14 Ca -0.37 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1n9j h PRO 14 Cb 1.22 -0.24 -0.04 0.00 0.13 0.00 0.00 31.00 32.07 1n9j h PRO 14 CO 0.61 0.71 0.47 1.49 -0.23 0.00 0.00 178.00 181.05 1n9j h GLU 15 N 1.11 1.17 -0.28 0.86 4.81 -1.98 -2.28 114.58 117.99 1n9j h GLU 15 Ca 0.35 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 1n9j h GLU 15 Cb 0.03 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1n9j h GLU 15 CO -0.11 0.86 -0.04 0.82 -0.73 0.00 0.00 179.01 179.81 1n9j h ILE 16 N 1.18 1.27 -0.40 2.32 1.08 -1.92 -0.49 117.51 120.56 1n9j h ILE 16 Ca 0.30 -1.03 0.02 0.00 -0.39 0.00 0.00 64.86 63.76 1n9j h ILE 16 Cb 0.02 1.39 -0.02 0.00 -3.07 0.00 0.00 36.82 35.14 1n9j h ILE 16 CO -0.05 0.33 0.26 -0.61 -0.69 0.00 0.00 178.15 177.39 1n9j h GLN 17 N 0.28 0.47 -0.39 2.37 -0.00 -1.53 -2.49 115.11 113.83 1n9j h GLN 17 Ca 0.07 -0.03 -0.10 0.00 -0.00 0.00 0.00 58.65 58.59 1n9j h GLN 17 Cb 0.50 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.86 1n9j h GLN 17 CO 0.02 0.31 -0.17 1.49 0.00 0.00 0.00 178.83 180.48 1n9j h GLU 18 N 0.49 0.72 0.65 1.69 4.81 -1.07 -2.86 114.58 119.01 1n9j h GLU 18 Ca 0.15 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1n9j h GLU 18 Cb 0.02 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.35 1n9j h GLU 18 CO -0.04 0.85 -0.31 0.82 -0.73 0.00 0.00 179.01 179.60 1n9j h ILE 19 N 0.64 0.34 -0.88 2.32 1.08 -0.69 -1.77 117.51 118.55 1n9j h ILE 19 Ca 0.10 -0.06 0.20 0.00 -0.39 0.00 0.00 64.86 64.70 1n9j h ILE 19 Cb 0.65 0.37 -0.11 0.00 -3.07 0.00 0.00 36.82 34.65 1n9j h ILE 19 CO 0.05 0.01 0.41 1.62 -0.69 0.00 0.00 178.15 179.54 1n9j h VAL 20 N -0.92 0.55 -0.69 1.67 3.04 -1.58 -0.98 116.25 117.35 1n9j h VAL 20 Ca -0.09 -0.16 -0.03 0.00 -1.01 0.00 0.00 66.70 65.41 1n9j h VAL 20 Cb 0.68 0.04 -0.03 0.00 -2.01 0.00 0.00 31.29 29.98 1n9j h VAL 20 CO 0.15 0.09 0.31 -0.78 -1.01 0.00 0.00 177.57 176.32 1n9j h ASP 21 N 0.47 0.89 0.43 3.17 1.82 -1.35 0.10 116.42 121.95 1n9j h ASP 21 Ca 0.53 -0.10 -0.14 0.00 -0.39 0.00 0.00 57.03 56.92 1n9j h ASP 21 Cb 0.94 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.70 1n9j h ASP 21 CO -0.48 0.77 -0.60 0.50 -1.61 0.00 0.00 179.24 177.82 1n9j h LYS 22 N 0.98 0.17 0.00 0.28 1.63 -0.90 -3.39 116.57 115.34 1n9j h LYS 22 Ca 0.24 -0.12 -0.07 0.00 -0.85 0.00 0.00 60.65 59.85 1n9j h LYS 22 Cb 0.13 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 1n9j h LYS 22 CO -0.03 0.72 -1.30 1.33 -3.45 0.00 0.00 179.45 176.73 1n9j n VAL 23 N -3.86 0.76 -0.31 2.00 0.24 -0.41 -4.36 118.33 112.39 1n9j n VAL 23 Ca -0.02 -0.60 0.16 0.00 -2.04 0.00 0.00 64.34 61.84 1n9j n VAL 23 Cb 0.61 -0.44 0.34 0.00 -1.47 0.00 0.00 33.84 32.89 1n9j n VAL 23 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1n9j h LYS 24 N 0.00 0.27 -0.38 7.34 5.09 -1.18 0.25 116.57 127.96 1n9j h LYS 24 Ca -0.07 -0.02 -0.11 0.00 0.09 0.00 0.00 60.65 60.54 1n9j h LYS 24 Cb 1.23 -0.06 -0.01 0.00 0.10 0.00 0.00 32.23 33.49 1n9j h LYS 24 CO 0.02 0.18 -0.21 -1.00 -2.09 0.00 0.00 179.45 176.34 1n9j h PRO 25 N 0.27 0.81 -0.13 0.07 0.13 -1.84 -1.56 132.00 129.75 1n9j h PRO 25 Ca 0.60 -0.37 -0.08 0.00 -0.87 0.00 0.00 66.00 65.28 1n9j h PRO 25 Cb 1.26 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1n9j h PRO 25 CO -0.62 1.00 -0.24 1.96 -0.23 0.00 0.00 178.00 179.86 1n9j h GLN 26 N 0.61 0.40 -1.00 0.86 4.20 -1.78 -2.82 115.11 115.58 1n9j h GLN 26 Ca 0.08 -0.25 0.06 0.00 0.06 0.00 0.00 58.65 58.60 1n9j h GLN 26 Cb 0.77 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.51 1n9j h GLN 26 CO 0.06 0.85 0.65 -0.07 -0.67 0.00 0.00 178.83 179.65 1n9j h LEU 27 N 0.00 1.04 -0.46 1.46 3.38 -1.06 -2.25 115.31 117.42 1n9j h LEU 27 Ca 0.01 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1n9j h LEU 27 Cb 0.83 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1n9j h LEU 27 CO 0.06 0.67 0.18 -0.33 0.09 0.00 0.00 178.44 179.11 1n9j h GLU 28 N 1.18 0.69 -0.30 1.13 5.08 -1.21 0.64 114.58 121.78 1n9j h GLU 28 Ca 0.42 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 1n9j h GLU 28 Cb 0.14 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1n9j h GLU 28 CO -0.16 0.63 0.14 0.93 -1.00 0.00 0.00 179.01 179.54 1n9j h GLU 29 N 0.60 0.43 -0.26 2.33 5.08 -1.55 -2.48 114.58 118.74 1n9j h GLU 29 Ca 0.15 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 1n9j h GLU 29 Cb 0.19 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1n9j h GLU 29 CO -0.01 0.42 -0.34 -0.22 -1.00 0.00 0.00 179.01 177.86 1n9j h LYS 30 N 0.34 0.56 0.00 2.33 1.63 -1.32 -3.22 116.57 116.90 1n9j h LYS 30 Ca 0.10 -0.26 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 1n9j h LYS 30 Cb 0.14 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1n9j h LYS 30 CO -0.01 0.83 0.00 0.00 -3.45 0.00 0.00 179.45 176.82 1n9j h THR 31 N 0.48 0.00 -4.02 1.00 1.03 -0.97 -3.49 112.91 106.94 1n9j h THR 31 Ca 0.05 -0.87 -0.40 0.00 -0.01 0.00 0.00 66.41 65.18 1n9j h THR 31 Cb 0.82 1.87 0.02 0.00 -1.07 0.00 0.00 68.15 69.80 1n9j h THR 31 CO 0.07 0.00 -0.57 -3.20 -0.01 0.00 0.00 175.52 171.81 1n9j n ASN 32 N -2.97 -5.84 -3.55 0.00 5.15 -0.94 -4.99 115.26 102.11 1n9j n ASN 32 Ca 0.04 -0.18 -0.14 0.00 -0.60 0.00 0.00 54.58 53.69 1n9j n ASN 32 Cb 0.49 -4.78 -0.05 0.00 -0.53 0.00 0.00 39.78 34.91 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 -5.47 1.06 -0.21 1.20 2.12 -1.15 -5.07 118.70 111.17 1n9j s GLU 33 Ca 0.19 -0.17 -0.11 0.00 0.36 0.00 0.00 54.97 55.24 1n9j s GLU 33 Cb -0.09 0.49 -0.05 0.00 0.26 0.00 0.00 34.13 34.74 1n9j s GLU 33 CO 0.24 -0.38 0.20 0.99 -0.54 0.00 0.00 175.26 175.77 1n9j s THR 34 N -2.34 5.35 0.28 -1.70 2.01 -1.26 -4.42 115.64 113.56 1n9j s THR 34 Ca -0.06 0.30 -0.22 0.00 0.31 0.00 0.00 61.69 62.02 1n9j s THR 34 Cb -0.01 -3.54 -0.09 0.00 0.01 0.00 0.00 72.50 68.87 1n9j s THR 34 CO -0.01 0.37 0.83 -0.31 -0.69 0.00 0.00 174.62 174.82 1n9j s TYR 35 N 0.75 3.63 0.00 4.92 2.02 -1.26 -5.08 117.35 122.34 1n9j s TYR 35 Ca 0.10 1.56 0.00 0.00 -0.37 0.00 0.00 57.07 58.36 1n9j s TYR 35 Cb -0.13 -2.76 0.00 0.00 -0.40 0.00 0.00 41.96 38.68 1n9j s TYR 35 CO 0.03 0.24 0.00 0.41 -1.57 0.00 0.00 175.55 174.66 1n9j n GLY 36 N 0.51 -0.25 3.68 0.71 0.00 -1.26 -4.91 105.19 103.66 1n9j n GLY 36 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1n9j n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n9j s LYS 37 N 0.00 4.10 -0.34 1.61 1.02 -1.26 -5.06 119.74 119.82 1n9j s LYS 37 Ca 0.00 -0.26 -0.14 0.00 0.02 0.00 0.00 55.97 55.59 1n9j s LYS 37 Cb 0.00 -3.47 -0.02 0.00 -0.52 0.00 0.00 37.83 33.82 1n9j s LYS 37 CO 0.00 0.16 0.29 -0.51 -0.92 0.00 0.00 175.35 174.37 1n9j s LEU 38 N 0.76 4.48 -0.04 3.17 1.43 -1.26 -5.04 118.68 122.17 1n9j s LEU 38 Ca 0.07 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 1n9j s LEU 38 Cb -0.13 -2.22 0.01 0.00 0.03 0.00 0.00 46.19 43.89 1n9j s LEU 38 CO 0.02 -0.27 -0.10 -1.61 0.23 0.00 0.00 176.35 174.62 1n9j s GLU 39 N 1.84 1.24 0.31 1.70 2.02 -1.26 -5.03 118.70 119.52 1n9j s GLU 39 Ca 0.08 -0.31 -0.29 0.00 0.02 0.00 0.00 54.97 54.47 1n9j s GLU 39 Cb -0.17 -1.10 -0.12 0.00 0.10 0.00 0.00 34.13 32.84 1n9j s GLU 39 CO 0.11 0.04 1.42 0.00 0.02 0.00 0.00 175.26 176.86 1n9j n ALA 40 N 3.65 1.73 -3.00 5.21 0.00 -1.26 -4.99 120.51 121.85 1n9j n ALA 40 Ca -0.22 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1n9j n ALA 40 Cb 0.52 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 1.15 0.00 -4.16 0.00 0.31 -1.25 -4.61 118.33 109.77 1n9j n VAL 41 Ca 0.07 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.05 1n9j n VAL 41 Cb 0.36 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.15 1n9j n VAL 41 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1n9j s GLN 42 N 4.48 3.51 0.21 5.55 -0.21 -1.26 -1.51 119.66 130.44 1n9j s GLN 42 Ca 0.00 -0.58 0.11 0.00 0.02 0.00 0.00 55.36 54.91 1n9j s GLN 42 Cb 0.00 -2.97 -0.05 0.00 1.00 0.00 0.00 33.01 30.99 1n9j s GLN 42 CO 0.00 -0.00 -0.22 1.52 -2.12 0.00 0.00 175.29 174.47 1n9j s TYR 43 N 0.99 2.24 0.36 0.91 1.13 -1.01 -4.90 117.35 117.06 1n9j s TYR 43 Ca 0.00 -0.37 0.04 0.00 -1.41 0.00 0.00 57.07 55.33 1n9j s TYR 43 Cb -0.15 -1.07 -0.05 0.00 -1.10 0.00 0.00 41.96 39.60 1n9j s TYR 43 CO 0.01 0.54 0.07 0.15 -2.51 0.00 0.00 175.55 173.81 1n9j s LYS 44 N -2.92 1.77 -0.06 -3.49 1.02 -1.26 -2.12 119.74 112.67 1n9j s LYS 44 Ca 0.23 -2.02 -0.02 0.00 0.02 0.00 0.00 55.97 54.17 1n9j s LYS 44 Cb -0.07 -0.84 0.04 0.00 -0.52 0.00 0.00 37.83 36.44 1n9j s LYS 44 CO 0.11 -0.28 0.12 0.95 -0.92 0.00 0.00 175.35 175.33 1n9j s THR 45 N -3.24 -0.10 -0.11 2.17 -4.23 -1.26 -4.91 115.64 103.96 1n9j s THR 45 Ca 0.31 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 1n9j s THR 45 Cb 0.07 -0.22 -0.02 0.00 1.34 0.00 0.00 72.50 73.67 1n9j s THR 45 CO 0.15 0.10 -0.12 -1.58 -0.54 0.00 0.00 174.62 172.63 1n9j s GLN 46 N 1.43 3.19 -0.20 3.99 0.74 -1.26 -0.69 119.66 126.86 1n9j s GLN 46 Ca -0.06 -0.65 -0.05 0.00 0.05 0.00 0.00 55.36 54.65 1n9j s GLN 46 Cb -0.12 -2.61 -0.02 0.00 1.10 0.00 0.00 33.01 31.36 1n9j s GLN 46 CO -0.05 0.34 -0.01 0.08 -0.55 0.00 0.00 175.29 175.10 1n9j s VAL 47 N 0.03 3.83 0.15 1.34 1.01 -1.25 -4.94 120.40 120.57 1n9j s VAL 47 Ca -0.03 -0.35 -0.15 0.00 0.00 0.00 0.00 61.98 61.44 1n9j s VAL 47 Cb -0.14 -2.73 -0.07 0.00 0.00 0.00 0.00 36.38 33.44 1n9j s VAL 47 CO 0.04 0.43 0.56 -0.69 0.00 0.00 0.00 175.10 175.45 1n9j s VAL 48 N 1.02 4.82 0.09 2.92 1.01 -1.26 -0.86 120.40 128.15 1n9j s VAL 48 Ca 0.01 0.89 0.09 0.00 0.00 0.00 0.00 61.98 62.98 1n9j s VAL 48 Cb -0.14 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1n9j s VAL 48 CO 0.01 0.26 -0.25 0.00 0.00 0.00 0.00 175.10 175.13 1n9j s ALA 49 N -1.45 2.14 0.38 5.51 0.00 -1.26 -4.91 121.76 122.18 1n9j s ALA 49 Ca 0.38 -1.32 0.04 0.00 0.00 0.00 0.00 51.96 51.05 1n9j s ALA 49 Cb -0.15 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1n9j s ALA 49 CO 0.19 0.48 0.08 0.20 0.00 0.00 0.00 175.76 176.72 1n9j s GLY 50 N -1.72 2.39 -0.17 0.00 0.00 -1.26 -5.03 107.32 101.53 1n9j s GLY 50 Ca 0.11 -1.56 -0.00 0.00 0.00 0.00 0.00 44.72 43.27 1n9j s GLY 50 CO 0.04 -1.86 -0.05 -1.59 0.00 0.00 0.00 173.10 169.64 1n9j s THR 51 N -3.22 1.14 0.03 0.90 2.01 -1.26 -5.11 115.64 110.13 1n9j s THR 51 Ca 0.28 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.62 1n9j s THR 51 Cb 0.05 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 1n9j s THR 51 CO 0.14 0.10 -0.00 0.54 -0.69 0.00 0.00 174.62 174.71 1n9j s ASN 52 N 1.61 5.05 -0.04 3.53 4.22 -1.26 -2.41 114.94 125.64 1n9j s ASN 52 Ca 0.00 -0.08 0.03 0.00 -2.14 0.00 0.00 52.86 50.68 1n9j s ASN 52 Cb -0.16 -1.27 0.00 0.00 1.28 0.00 0.00 41.25 41.11 1n9j s ASN 52 CO -0.08 0.24 -0.12 -0.31 -2.04 0.00 0.00 177.10 174.80 1n9j s TYR 53 N -1.16 1.28 -0.06 1.54 1.51 -0.22 -4.99 117.35 115.25 1n9j s TYR 53 Ca 0.21 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.94 1n9j s TYR 53 Cb -0.12 -0.89 0.01 0.00 -0.11 0.00 0.00 41.96 40.85 1n9j s TYR 53 CO 0.13 -0.15 -0.12 0.71 -1.11 0.00 0.00 175.55 175.01 1n9j s TYR 54 N 0.22 1.45 0.02 2.71 1.51 -1.26 -1.05 117.35 120.94 1n9j s TYR 54 Ca -0.05 -0.52 0.05 0.00 -1.01 0.00 0.00 57.07 55.53 1n9j s TYR 54 Cb -0.11 -1.06 -0.02 0.00 -0.11 0.00 0.00 41.96 40.67 1n9j s TYR 54 CO 0.01 -0.27 -0.14 0.42 -1.11 0.00 0.00 175.55 174.46 1n9j s ILE 55 N 0.63 1.14 -0.05 2.71 1.01 0.12 -4.96 121.20 121.81 1n9j s ILE 55 Ca -0.14 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.69 1n9j s ILE 55 Cb -0.15 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 1n9j s ILE 55 CO 0.04 0.17 0.01 -0.75 0.00 0.00 0.00 174.94 174.40 1n9j s LYS 56 N -0.75 2.93 -0.04 2.79 2.20 -1.26 -0.52 119.74 125.09 1n9j s LYS 56 Ca 0.04 -0.48 -0.10 0.00 -0.36 0.00 0.00 55.97 55.07 1n9j s LYS 56 Cb -0.07 -2.76 0.02 0.00 -1.51 0.00 0.00 37.83 33.50 1n9j s LYS 56 CO 0.00 0.67 0.22 0.14 -0.36 0.00 0.00 175.35 176.03 1n9j s VAL 57 N -0.99 0.04 -0.46 4.02 -7.23 -0.12 -5.00 120.40 110.66 1n9j s VAL 57 Ca 0.17 -0.35 -0.11 0.00 -1.81 0.00 0.00 61.98 59.87 1n9j s VAL 57 Cb -0.11 -0.44 0.10 0.00 0.56 0.00 0.00 36.38 36.48 1n9j s VAL 57 CO 0.06 -0.19 0.34 0.00 -0.31 0.00 0.00 175.10 175.00 1n9j s ARG 58 N -0.74 2.69 0.97 4.82 1.70 -1.26 -1.01 118.95 126.12 1n9j s ARG 58 Ca -0.08 -1.56 -0.11 0.00 -0.47 0.00 0.00 55.73 53.50 1n9j s ARG 58 Cb -0.05 -3.96 0.18 0.00 -0.57 0.00 0.00 34.95 30.55 1n9j s ARG 58 CO 0.02 -1.09 1.09 0.00 -1.08 0.00 0.00 175.30 174.24 1n9j s ALA 59 N 1.47 0.97 1.09 7.88 0.00 -1.24 -4.96 121.76 126.98 1n9j s ALA 59 Ca 0.04 0.14 -0.20 0.00 0.00 0.00 0.00 51.96 51.94 1n9j s ALA 59 Cb -0.25 -3.29 0.05 0.00 0.00 0.00 0.00 23.12 19.63 1n9j s ALA 59 CO 0.02 -2.89 -0.28 0.41 0.00 0.00 0.00 175.76 173.03 1n9j n GLY 60 N -0.16 -2.60 0.49 0.00 0.00 -1.24 -4.53 105.19 97.15 1n9j n GLY 60 Ca 0.07 -0.66 0.35 0.00 0.00 0.00 0.00 46.02 45.79 1n9j n GLY 60 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n9j n ASP 61 N -0.66 0.00 0.11 1.61 5.68 -1.26 -1.22 116.55 120.80 1n9j n ASP 61 Ca 0.00 0.68 -0.19 0.00 -0.50 0.00 0.00 54.79 54.78 1n9j n ASP 61 Cb 0.63 -0.33 -0.15 0.00 -1.14 0.00 0.00 41.12 40.13 1n9j n ASP 61 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1n9j h ASN 62 N 0.00 0.55 -3.25 -1.12 2.35 -1.99 -3.48 115.58 108.64 1n9j h ASN 62 Ca 0.62 -0.64 -0.50 0.00 -0.55 0.00 0.00 56.30 55.24 1n9j h ASN 62 Cb 2.60 -0.18 -0.16 0.00 0.05 0.00 0.00 38.32 40.63 1n9j h ASN 62 CO -0.01 1.51 -0.76 -0.54 -1.65 0.00 0.00 177.43 175.98 1n9j s LYS 63 N -2.63 1.34 -0.26 0.81 3.01 -0.36 -5.02 119.74 116.64 1n9j s LYS 63 Ca -0.07 -1.52 -0.13 0.00 -1.01 0.00 0.00 55.97 53.23 1n9j s LYS 63 Cb 0.06 -1.29 0.09 0.00 -1.01 0.00 0.00 37.83 35.68 1n9j s LYS 63 CO 0.89 0.24 0.61 0.71 0.51 0.00 0.00 175.35 178.31 1n9j s TYR 64 N -2.50 -1.01 0.09 3.18 2.02 -1.08 -3.61 117.35 114.44 1n9j s TYR 64 Ca 0.20 1.96 0.05 0.00 -0.37 0.00 0.00 57.07 58.91 1n9j s TYR 64 Cb -0.03 0.57 -0.04 0.00 -0.40 0.00 0.00 41.96 42.06 1n9j s TYR 64 CO 0.08 -0.52 -0.01 -1.64 -1.57 0.00 0.00 175.55 171.89 1n9j s MET 65 N 1.91 2.49 0.15 -0.62 -1.94 -0.18 -2.00 119.30 119.11 1n9j s MET 65 Ca -0.09 -0.86 0.05 0.00 -1.71 0.00 0.00 55.69 53.08 1n9j s MET 65 Cb -0.08 -2.51 -0.04 0.00 2.01 0.00 0.00 34.83 34.22 1n9j s MET 65 CO -0.18 0.54 0.11 -1.01 -0.01 0.00 0.00 175.02 174.47 1n9j s HIS 66 N -1.30 3.12 0.04 -0.03 3.76 -1.06 -0.94 115.29 118.88 1n9j s HIS 66 Ca 0.25 -0.02 0.02 0.00 -0.15 0.00 0.00 55.06 55.16 1n9j s HIS 66 Cb -0.12 -1.51 -0.02 0.00 1.11 0.00 0.00 32.58 32.04 1n9j s HIS 66 CO 0.18 0.52 -0.07 -1.17 -0.85 0.00 0.00 174.74 173.35 1n9j s LEU 67 N -2.97 2.26 -0.10 0.89 2.96 0.32 -2.02 118.68 120.02 1n9j s LEU 67 Ca 0.30 -0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 53.63 1n9j s LEU 67 Cb -0.10 -0.10 0.05 0.00 0.50 0.00 0.00 46.19 46.54 1n9j s LEU 67 CO 0.23 -0.23 0.14 -0.75 -1.32 0.00 0.00 176.35 174.41 1n9j s LYS 68 N -1.59 0.03 -0.10 1.98 2.36 -0.10 -0.70 119.74 121.63 1n9j s LYS 68 Ca -0.11 0.41 0.01 0.00 -2.55 0.00 0.00 55.97 53.72 1n9j s LYS 68 Cb -0.10 -0.62 0.02 0.00 -1.05 0.00 0.00 37.83 36.08 1n9j s LYS 68 CO -0.00 -0.40 -0.10 0.08 1.55 0.00 0.00 175.35 176.48 1n9j s VAL 69 N 2.25 1.12 0.08 4.02 1.01 -0.22 -2.32 120.40 126.35 1n9j s VAL 69 Ca 0.04 -0.40 -0.26 0.00 0.00 0.00 0.00 61.98 61.36 1n9j s VAL 69 Cb -0.13 -1.08 -0.06 0.00 0.00 0.00 0.00 36.38 35.11 1n9j s VAL 69 CO -0.06 0.37 0.82 0.12 0.00 0.00 0.00 175.10 176.35 1n9j s PHE 70 N 1.26 3.79 0.03 5.22 5.36 -0.41 -1.06 117.98 132.17 1n9j s PHE 70 Ca -0.03 1.59 0.08 0.00 -0.96 0.00 0.00 56.93 57.61 1n9j s PHE 70 Cb -0.14 -2.88 -0.03 0.00 -0.34 0.00 0.00 43.02 39.64 1n9j s PHE 70 CO -0.04 0.30 -0.24 0.15 -1.46 0.00 0.00 175.22 173.93 1n9j s LYS 71 N -0.23 1.66 0.00 10.12 1.02 -1.01 -2.13 119.74 129.17 1n9j s LYS 71 Ca 0.40 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 55.39 1n9j s LYS 71 Cb -0.22 -1.78 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 1n9j s LYS 71 CO 0.25 0.46 0.00 0.45 -0.92 0.00 0.00 175.35 175.60 1n9j n SER 72 N 1.92 0.00 -4.67 2.83 2.88 -1.26 -4.14 113.62 111.18 1n9j n SER 72 Ca -0.17 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 56.97 1n9j n SER 72 Cb 0.52 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 1n9j n SER 72 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1n9j s LEU 73 N -2.39 4.17 0.78 2.46 2.34 -1.26 -4.94 118.68 119.85 1n9j s LEU 73 Ca 0.00 0.99 -0.11 0.00 0.06 0.00 0.00 54.13 55.06 1n9j s LEU 73 Cb 0.00 -3.03 0.06 0.00 -0.56 0.00 0.00 46.19 42.66 1n9j s LEU 73 CO 0.00 -0.30 1.10 -2.16 -1.06 0.00 0.00 176.35 173.93 1n9j s PRO 74 N 1.89 2.21 0.00 1.48 0.04 -1.26 -4.10 135.00 135.25 1n9j s PRO 74 Ca 0.33 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1n9j s PRO 74 Cb -0.16 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1n9j s PRO 74 CO 0.12 -1.52 0.00 0.41 0.04 0.00 0.00 177.00 176.04 1n9j n GLY 75 N -2.30 2.10 2.94 0.56 0.00 -1.26 -5.01 105.19 102.21 1n9j n GLY 75 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1n9j n GLY 75 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1n9j s GLN 76 N -0.24 1.49 0.18 1.61 0.74 -1.26 -5.01 119.66 117.17 1n9j s GLN 76 Ca 0.00 -1.25 -0.13 0.00 0.05 0.00 0.00 55.36 54.03 1n9j s GLN 76 Cb 0.00 -2.66 0.13 0.00 1.10 0.00 0.00 33.01 31.57 1n9j s GLN 76 CO 0.00 -0.74 1.79 -0.97 -0.55 0.00 0.00 175.29 174.82 1n9j h ASN 77 N 7.88 0.39 -0.06 6.67 -1.24 -1.95 -2.97 115.58 124.30 1n9j h ASN 77 Ca -0.14 0.02 0.02 0.00 0.71 0.00 0.00 56.30 56.91 1n9j h ASN 77 Cb 1.05 -0.05 -0.00 0.00 0.73 0.00 0.00 38.32 40.04 1n9j h ASN 77 CO 0.45 0.27 0.32 -0.08 -1.29 0.00 0.00 177.43 177.10 1n9j h GLU 78 N 0.52 0.00 0.00 6.67 4.57 -1.99 -1.74 114.58 122.62 1n9j h GLU 78 Ca 0.22 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 1n9j h GLU 78 Cb 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1n9j h GLU 78 CO -0.14 0.00 0.00 -3.47 -1.18 0.00 0.00 179.01 174.22 1n9j n ASP 79 N -3.04 0.45 -4.67 1.04 -0.08 -1.12 -4.76 116.55 104.36 1n9j n ASP 79 Ca -0.01 0.63 -0.44 0.00 -1.51 0.00 0.00 54.79 53.47 1n9j n ASP 79 Cb 0.39 -0.72 -0.03 0.00 2.34 0.00 0.00 41.12 43.10 1n9j n ASP 79 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1n9j n LEU 80 N -2.02 3.99 -4.12 -2.67 -0.00 -0.66 -4.58 117.00 106.95 1n9j n LEU 80 Ca 0.02 0.93 -0.28 0.00 -0.00 0.00 0.00 56.01 56.68 1n9j n LEU 80 Cb 0.16 -1.50 -0.17 0.00 -0.00 0.00 0.00 43.42 41.92 1n9j n LEU 80 CO 0.15 0.14 -0.51 -0.69 -0.00 0.00 0.00 177.39 176.48 1n9j s VAL 81 N 4.07 1.53 -0.21 1.47 1.01 -0.91 -5.02 120.40 122.34 1n9j s VAL 81 Ca 0.89 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 1n9j s VAL 81 Cb -0.50 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1n9j s VAL 81 CO 0.43 0.44 1.94 -0.22 0.00 0.00 0.00 175.10 177.69 1n9j s LEU 82 N 0.41 3.71 -0.07 3.92 2.96 -1.26 -1.29 118.68 127.05 1n9j s LEU 82 Ca -0.14 1.80 0.08 0.00 -0.22 0.00 0.00 54.13 55.65 1n9j s LEU 82 Cb -0.16 -3.52 -0.12 0.00 0.50 0.00 0.00 46.19 42.89 1n9j s LEU 82 CO 0.05 -1.60 0.07 0.35 -1.32 0.00 0.00 176.35 173.90 1n9j n THR 83 N 7.04 0.49 -4.09 3.68 -2.24 -0.98 -4.94 114.28 113.23 1n9j n THR 83 Ca 0.24 -0.35 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 1n9j n THR 83 Cb 0.45 -0.55 -0.08 0.00 -2.10 0.00 0.00 70.33 68.05 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 -3.90 0.92 -0.30 3.38 0.00 -1.04 -5.05 107.32 101.32 1n9j s GLY 84 Ca -0.04 -1.29 -0.16 0.00 0.00 0.00 0.00 44.72 43.22 1n9j s GLY 84 CO 0.38 -1.12 1.08 -2.52 0.00 0.00 0.00 173.10 170.92 1n9j s TYR 85 N -4.06 -0.41 0.28 1.90 1.13 -1.26 -0.92 117.35 114.01 1n9j s TYR 85 Ca 0.26 0.79 0.07 0.00 -1.41 0.00 0.00 57.07 56.79 1n9j s TYR 85 Cb 0.05 0.25 -0.03 0.00 -1.10 0.00 0.00 41.96 41.12 1n9j s TYR 85 CO 0.05 -0.21 0.21 -0.65 -2.51 0.00 0.00 175.55 172.44 1n9j s GLN 86 N 1.57 2.79 0.00 -3.49 -1.52 -0.85 -4.96 119.66 113.19 1n9j s GLN 86 Ca -0.06 -1.18 0.00 0.00 -1.95 0.00 0.00 55.36 52.17 1n9j s GLN 86 Cb -0.03 -2.49 0.00 0.00 -0.22 0.00 0.00 33.01 30.27 1n9j s GLN 86 CO -0.14 0.29 0.00 1.55 -0.25 0.00 0.00 175.29 176.74 1n9j n VAL 87 N -1.21 0.00 0.00 1.09 3.14 -1.26 -2.56 118.33 117.52 1n9j n VAL 87 Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1n9j n VAL 87 Cb 0.59 -1.73 0.00 0.00 -1.06 0.00 0.00 33.84 31.64 1n9j n VAL 87 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1n9j n ASP 88 N -2.47 0.00 -4.78 6.55 8.00 -1.17 -3.47 116.55 119.21 1n9j n ASP 88 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 1n9j n ASP 88 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1n9j n ASP 88 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1n9j s LYS 89 N -0.53 4.09 1.19 -1.24 2.20 -0.85 -2.65 119.74 121.95 1n9j s LYS 89 Ca 0.00 2.47 -0.13 0.00 -0.36 0.00 0.00 55.97 57.95 1n9j s LYS 89 Cb 0.00 -2.94 0.30 0.00 -1.51 0.00 0.00 37.83 33.68 1n9j s LYS 89 CO 0.00 -0.51 1.02 -0.80 -0.36 0.00 0.00 175.35 174.70 1n9j s ASN 90 N -0.28 0.78 0.55 1.43 0.01 -1.26 -4.14 114.94 112.03 1n9j s ASN 90 Ca 0.53 1.45 0.26 0.00 -0.71 0.00 0.00 52.86 54.40 1n9j s ASN 90 Cb -0.45 -2.25 1.45 0.00 0.41 0.00 0.00 41.25 40.41 1n9j s ASN 90 CO 0.60 -4.31 2.00 0.50 -1.51 0.00 0.00 177.10 174.37 1n9j h LYS 91 N -2.70 0.00 -0.44 -0.60 3.64 -1.90 -2.19 116.57 112.37 1n9j h LYS 91 Ca -0.62 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 58.88 1n9j h LYS 91 Cb 1.34 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.14 1n9j h LYS 91 CO 0.51 0.00 0.37 0.22 -2.27 0.00 0.00 179.45 178.28 1n9j h ASP 92 N 0.00 0.00 -1.71 4.20 3.58 -2.03 -3.42 116.42 117.05 1n9j h ASP 92 Ca 0.22 0.00 -0.62 0.00 0.42 0.00 0.00 57.03 57.05 1n9j h ASP 92 Cb 0.95 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.00 1n9j h ASP 92 CO -0.00 0.00 1.39 -0.67 -2.88 0.00 0.00 179.24 177.07 1n9j n ASP 93 N -4.09 2.96 -4.73 2.28 2.03 -0.83 -4.95 116.55 109.22 1n9j n ASP 93 Ca 0.08 0.44 -0.41 0.00 0.52 0.00 0.00 54.79 55.42 1n9j n ASP 93 Cb 0.56 -1.42 -0.04 0.00 -0.72 0.00 0.00 41.12 39.50 1n9j n ASP 93 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1n9j s GLU 94 N 5.82 4.66 -0.68 -0.67 2.12 -1.26 -5.00 118.70 123.70 1n9j s GLU 94 Ca 1.02 1.40 -0.27 0.00 0.36 0.00 0.00 54.97 57.48 1n9j s GLU 94 Cb -0.58 -3.38 0.03 0.00 0.26 0.00 0.00 34.13 30.46 1n9j s GLU 94 CO 0.43 0.20 1.21 -0.51 -0.54 0.00 0.00 175.26 176.05 1n9j s LEU 95 N 0.08 3.41 -0.41 2.70 1.02 -1.26 -4.93 118.68 119.29 1n9j s LEU 95 Ca 0.46 -0.33 0.04 0.00 0.02 0.00 0.00 54.13 54.31 1n9j s LEU 95 Cb -0.23 -2.74 0.17 0.00 0.02 0.00 0.00 46.19 43.41 1n9j s LEU 95 CO 0.29 -1.67 0.33 0.28 0.02 0.00 0.00 176.35 175.60 1n9j s THR 96 N 5.26 0.33 -0.28 5.49 -1.32 -1.26 -4.92 115.64 118.94 1n9j s THR 96 Ca 0.36 -2.57 -0.03 0.00 -1.21 0.00 0.00 61.69 58.23 1n9j s THR 96 Cb -0.09 -1.25 0.03 0.00 -1.51 0.00 0.00 72.50 69.69 1n9j s THR 96 CO 0.18 -1.21 0.09 0.61 -2.21 0.00 0.00 174.62 172.07 1n9j n GLY 97 N 2.95 -0.49 0.00 6.08 0.00 -1.26 -5.27 105.19 107.20 1n9j n GLY 97 Ca 0.28 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1n9j n GLY 97 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29