#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bl8 h ALA 5 N 0.00 0.66 -0.62 -2.53 0.00 -1.99 -2.03 119.26 112.76 2bl8 h ALA 5 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2bl8 h ALA 5 Cb 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2bl8 h ALA 5 CO 0.00 0.38 0.32 0.87 0.00 0.00 0.00 179.25 180.82 2bl8 h LYS 6 N 0.70 0.88 -0.20 0.00 1.57 -1.95 -1.07 116.57 116.50 2bl8 h LYS 6 Ca 0.15 -0.11 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2bl8 h LYS 6 Cb 0.37 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 2bl8 h LYS 6 CO 0.01 0.68 -0.03 0.37 -0.57 0.00 0.00 179.45 179.91 2bl8 h GLN 7 N 0.84 0.02 -0.36 3.15 4.15 -1.94 0.90 115.11 121.88 2bl8 h GLN 7 Ca 0.22 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.60 2bl8 h GLN 7 Cb 0.08 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 2bl8 h GLN 7 CO -0.03 0.01 0.10 0.82 -1.93 0.00 0.00 178.83 177.81 2bl8 h ILE 8 N 0.02 1.21 -0.75 2.39 2.04 -1.17 0.05 117.51 121.31 2bl8 h ILE 8 Ca 0.09 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 2bl8 h ILE 8 Cb 0.14 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 2bl8 h ILE 8 CO -0.19 0.24 0.47 0.58 0.00 0.00 0.00 178.15 179.25 2bl8 h VAL 9 N 0.42 1.21 -0.48 1.67 2.07 -0.98 -0.66 116.25 119.50 2bl8 h VAL 9 Ca 0.11 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 2bl8 h VAL 9 Cb 0.27 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2bl8 h VAL 9 CO -0.00 0.21 0.13 -0.74 0.02 0.00 0.00 177.57 177.19 2bl8 h HIS 10 N 1.03 0.80 -0.72 1.57 6.17 -0.54 -0.58 115.15 122.88 2bl8 h HIS 10 Ca 0.27 -0.09 -0.05 0.00 0.71 0.00 0.00 60.37 61.21 2bl8 h HIS 10 Cb -0.06 -0.23 -0.03 0.00 2.52 0.00 0.00 27.41 29.61 2bl8 h HIS 10 CO -0.01 0.71 0.26 0.93 0.71 0.00 0.00 177.93 180.53 2bl8 h GLU 11 N 0.65 1.10 -0.35 5.26 5.08 -0.65 -0.89 114.58 124.78 2bl8 h GLU 11 Ca 0.15 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 2bl8 h GLU 11 Cb 0.31 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2bl8 h GLU 11 CO -0.00 0.92 0.00 1.25 -1.00 0.00 0.00 179.01 180.19 2bl8 h LEU 12 N 1.05 0.61 -0.07 1.33 5.85 -0.93 -1.70 115.31 121.45 2bl8 h LEU 12 Ca 0.24 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.67 2bl8 h LEU 12 Cb 0.26 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2bl8 h LEU 12 CO -0.01 0.77 -0.06 0.22 -0.34 0.00 0.00 178.44 179.02 2bl8 h TYR 13 N 0.44 -0.14 -0.54 1.25 3.20 -0.89 -1.09 116.97 119.20 2bl8 h TYR 13 Ca 0.10 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.00 2bl8 h TYR 13 Cb 0.45 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 2bl8 h TYR 13 CO 0.04 -0.09 0.33 -0.91 -1.64 0.00 0.00 178.16 175.88 2bl8 h ASN 14 N -0.07 0.54 -0.44 -2.11 4.21 -1.05 0.14 115.58 116.80 2bl8 h ASN 14 Ca 0.05 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.53 2bl8 h ASN 14 Cb 0.14 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.21 2bl8 h ASN 14 CO -0.11 0.38 0.15 -0.78 -1.29 0.00 0.00 177.43 175.78 2bl8 h ASP 15 N 0.66 0.63 -0.46 5.81 3.58 -1.09 -2.68 116.42 122.87 2bl8 h ASP 15 Ca 0.21 -0.19 -0.13 0.00 0.42 0.00 0.00 57.03 57.34 2bl8 h ASP 15 Cb 0.00 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 2bl8 h ASP 15 CO -0.09 0.66 -0.22 0.40 -2.88 0.00 0.00 179.24 177.11 2bl8 h ILE 16 N 0.57 1.27 -0.38 2.25 2.04 -0.93 -3.00 117.51 119.33 2bl8 h ILE 16 Ca 0.14 -1.39 0.08 0.00 1.00 0.00 0.00 64.86 64.70 2bl8 h ILE 16 Cb 0.24 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 2bl8 h ILE 16 CO -0.01 0.48 0.26 0.28 0.00 0.00 0.00 178.15 179.16 2bl8 h SER 17 N 0.81 0.13 -0.15 1.72 0.02 -0.54 -2.63 113.55 112.91 2bl8 h SER 17 Ca 0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2bl8 h SER 17 Cb 0.80 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 2bl8 h SER 17 CO 0.07 0.08 0.06 0.40 -1.14 0.00 0.00 176.83 176.29 2bl8 h ILE 18 N 0.15 1.16 -0.63 3.27 2.04 -1.33 -3.12 117.51 119.04 2bl8 h ILE 18 Ca 0.18 -0.48 0.11 0.00 1.00 0.00 0.00 64.86 65.66 2bl8 h ILE 18 Cb 0.51 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 2bl8 h ILE 18 CO -0.02 0.15 0.42 0.77 0.00 0.00 0.00 178.15 179.47 2bl8 h SER 19 N 0.08 0.36 -4.46 1.72 4.64 -1.55 -3.46 113.55 110.87 2bl8 h SER 19 Ca 0.05 0.01 -0.37 0.00 -0.47 0.00 0.00 61.79 61.01 2bl8 h SER 19 Cb 0.18 -0.06 0.08 0.00 -0.31 0.00 0.00 62.40 62.28 2bl8 h SER 19 CO -0.00 0.21 -0.57 0.29 -0.87 0.00 0.00 176.83 175.89 2bl8 n LYS 20 N -4.47 -5.25 -3.08 4.77 5.02 -1.18 -4.96 118.16 109.01 2bl8 n LYS 20 Ca 0.11 0.82 -0.40 0.00 -2.02 0.00 0.00 58.31 56.81 2bl8 n LYS 20 Cb 0.41 -5.55 -0.06 0.00 -0.02 0.00 0.00 35.03 29.81 2bl8 n LYS 20 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2bl8 s ASP 21 N -2.88 6.68 0.57 4.39 -1.08 -1.26 -4.95 116.67 118.14 2bl8 s ASP 21 Ca 0.35 0.83 0.27 0.00 -0.52 0.00 0.00 52.55 53.48 2bl8 s ASP 21 Cb -0.15 -2.36 1.57 0.00 -1.46 0.00 0.00 42.92 40.52 2bl8 s ASP 21 CO 0.43 -0.34 2.09 -0.65 0.52 0.00 0.00 175.17 177.23 2bl8 h PRO 22 N 7.63 0.00 0.00 4.34 0.11 -2.00 0.01 132.00 142.09 2bl8 h PRO 22 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2bl8 h PRO 22 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2bl8 h PRO 22 CO 0.79 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 179.45 2bl8 h LYS 23 N 0.00 0.00 -0.08 1.05 1.57 -1.94 -2.79 116.57 114.38 2bl8 h LYS 23 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2bl8 h LYS 23 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2bl8 h LYS 23 CO -0.00 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 2bl8 n TYR 24 N -2.55 0.07 -0.07 -1.35 4.01 -0.01 -4.71 117.16 112.55 2bl8 n TYR 24 Ca -0.00 -0.05 -0.07 0.00 -0.16 0.00 0.00 57.90 57.62 2bl8 n TYR 24 Cb 0.16 -0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.18 2bl8 n TYR 24 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2bl8 h SER 25 N 3.32 -0.56 0.12 7.72 0.02 -1.55 -0.76 113.55 121.85 2bl8 h SER 25 Ca 0.00 0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 60.98 2bl8 h SER 25 Cb 0.73 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 2bl8 h SER 25 CO 0.00 -0.21 -0.33 0.44 -1.14 0.00 0.00 176.83 175.59 2bl8 h ASP 26 N -0.13 0.32 -0.79 3.07 3.32 -1.84 -2.45 116.42 117.92 2bl8 h ASP 26 Ca 0.16 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 2bl8 h ASP 26 Cb 0.37 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 2bl8 h ASP 26 CO -0.38 0.64 0.37 0.40 -1.72 0.00 0.00 179.24 178.55 2bl8 h ILE 27 N 0.27 1.25 -0.69 0.35 2.04 -1.64 -0.73 117.51 118.35 2bl8 h ILE 27 Ca 0.03 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 2bl8 h ILE 27 Cb 0.72 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 2bl8 h ILE 27 CO 0.06 0.30 0.32 -0.07 0.00 0.00 0.00 178.15 178.76 2bl8 h LEU 28 N 1.12 0.92 -0.40 1.44 3.38 -0.80 0.22 115.31 121.19 2bl8 h LEU 28 Ca 0.27 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2bl8 h LEU 28 Cb 0.13 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2bl8 h LEU 28 CO -0.03 0.81 0.27 -0.08 0.09 0.00 0.00 178.44 179.49 2bl8 h GLU 29 N 0.97 0.53 -0.46 1.13 4.81 -0.98 -1.62 114.58 118.97 2bl8 h GLU 29 Ca 0.24 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.38 2bl8 h GLU 29 Cb 0.14 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2bl8 h GLU 29 CO -0.03 0.36 0.06 0.28 -0.73 0.00 0.00 179.01 178.95 2bl8 h VAL 30 N 0.55 1.25 -0.78 0.32 2.07 -0.77 -1.71 116.25 117.17 2bl8 h VAL 30 Ca 0.15 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.75 2bl8 h VAL 30 Cb -0.06 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 2bl8 h VAL 30 CO -0.03 0.33 0.51 -0.07 0.02 0.00 0.00 177.57 178.33 2bl8 h LEU 31 N 0.63 0.88 -0.49 2.57 3.38 -0.75 0.11 115.31 121.64 2bl8 h LEU 31 Ca 0.14 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2bl8 h LEU 31 Cb 0.40 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2bl8 h LEU 31 CO 0.01 0.64 0.22 -0.61 0.09 0.00 0.00 178.44 178.78 2bl8 h GLN 32 N 1.04 0.72 -0.41 1.13 5.75 -1.13 -0.54 115.11 121.66 2bl8 h GLN 32 Ca 0.29 -0.12 -0.08 0.00 -0.15 0.00 0.00 58.65 58.59 2bl8 h GLN 32 Cb -0.10 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.30 2bl8 h GLN 32 CO -0.07 0.62 -0.06 0.87 -2.65 0.00 0.00 178.83 177.54 2bl8 h LYS 33 N 0.65 0.71 -0.44 1.69 1.57 -0.74 -2.44 116.57 117.57 2bl8 h LYS 33 Ca 0.17 -0.20 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 2bl8 h LYS 33 Cb 0.16 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2bl8 h LYS 33 CO -0.02 0.76 -0.22 0.28 -0.57 0.00 0.00 179.45 179.69 2bl8 h VAL 34 N 0.65 1.27 -0.71 0.50 2.07 -0.56 -2.59 116.25 116.88 2bl8 h VAL 34 Ca 0.12 -1.37 0.06 0.00 0.82 0.00 0.00 66.70 66.34 2bl8 h VAL 34 Cb 0.50 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 2bl8 h VAL 34 CO 0.03 0.46 0.41 0.22 0.02 0.00 0.00 177.57 178.71 2bl8 h TYR 35 N 0.75 0.74 -0.72 1.57 3.20 -0.76 -0.39 116.97 121.36 2bl8 h TYR 35 Ca 0.10 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 2bl8 h TYR 35 Cb 0.79 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 2bl8 h TYR 35 CO 0.06 0.35 0.18 -0.07 -1.64 0.00 0.00 178.16 177.03 2bl8 h LEU 36 N 0.74 1.09 -1.22 2.82 3.38 -1.34 -2.57 115.31 118.20 2bl8 h LEU 36 Ca 0.32 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 2bl8 h LEU 36 Cb 0.20 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2bl8 h LEU 36 CO -0.19 1.04 -0.30 0.11 0.09 0.00 0.00 178.44 179.19 2bl8 h LYS 37 N 1.09 0.15 0.00 1.13 1.57 -0.93 -2.35 116.57 117.23 2bl8 h LYS 37 Ca 0.23 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2bl8 h LYS 37 Cb 0.37 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2bl8 h LYS 37 CO 0.00 0.44 0.00 1.28 -0.57 0.00 0.00 179.45 180.60 2bl8 n LEU 38 N -4.14 0.26 -0.97 2.94 4.77 -0.24 -1.39 117.00 118.23 2bl8 n LEU 38 Ca -0.01 0.58 0.11 0.00 -0.03 0.00 0.00 56.01 56.66 2bl8 n LEU 38 Cb 0.38 -0.57 0.26 0.00 -2.33 0.00 0.00 43.42 41.15 2bl8 n LEU 38 CO 0.39 -0.50 0.72 -0.62 -1.33 0.00 0.00 177.39 176.06 2bl8 n GLU 39 N -1.81 2.27 -3.22 3.23 1.02 -0.88 -4.10 120.64 117.15 2bl8 n GLU 39 Ca 0.02 -1.92 -0.38 0.00 -0.02 0.00 0.00 57.16 54.86 2bl8 n GLU 39 Cb 0.12 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 30.01 2bl8 n GLU 39 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2bl8 s LYS 40 N -1.58 4.22 0.24 3.49 1.02 -0.48 -4.93 119.74 121.72 2bl8 s LYS 40 Ca 0.36 0.77 -0.10 0.00 0.02 0.00 0.00 55.97 57.03 2bl8 s LYS 40 Cb 0.21 -3.14 0.35 0.00 -0.52 0.00 0.00 37.83 34.73 2bl8 s LYS 40 CO 0.30 0.57 1.61 0.37 -0.92 0.00 0.00 175.35 177.28 2bl8 h GLN 41 N 4.19 0.02 -0.79 1.68 5.75 -1.90 0.10 115.11 124.17 2bl8 h GLN 41 Ca -0.49 -0.00 0.19 0.00 -0.15 0.00 0.00 58.65 58.20 2bl8 h GLN 41 Cb 1.21 -0.01 -0.13 0.00 1.07 0.00 0.00 27.48 29.62 2bl8 h GLN 41 CO 0.64 0.02 0.13 -0.22 -2.65 0.00 0.00 178.83 176.75 2bl8 h LYS 42 N 0.02 0.18 0.00 1.69 3.64 -1.93 -1.84 116.57 118.33 2bl8 h LYS 42 Ca 0.38 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 2bl8 h LYS 42 Cb 0.61 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2bl8 h LYS 42 CO -0.75 0.12 -0.65 0.66 -2.27 0.00 0.00 179.45 176.56 2bl8 n TYR 43 N -5.25 0.22 0.09 1.91 4.01 -0.11 -3.50 117.16 114.52 2bl8 n TYR 43 Ca 0.16 0.06 -0.06 0.00 -0.16 0.00 0.00 57.90 57.91 2bl8 n TYR 43 Cb 0.54 -0.40 0.07 0.00 -0.31 0.00 0.00 39.34 39.23 2bl8 n TYR 43 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2bl8 h GLU 44 N 0.00 0.17 0.12 -0.72 5.08 -0.32 -2.15 114.58 116.75 2bl8 h GLU 44 Ca 0.00 -0.14 -0.29 0.00 -1.00 0.00 0.00 59.36 57.93 2bl8 h GLU 44 Cb 0.62 0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.92 2bl8 h GLU 44 CO 0.00 0.82 -1.22 -0.07 -1.00 0.00 0.00 179.01 177.54 2bl8 h LEU 45 N 0.11 0.73 -6.21 1.33 4.07 -1.63 -3.43 115.31 110.29 2bl8 h LEU 45 Ca -0.02 -0.69 -0.23 0.00 0.08 0.00 0.00 57.88 57.02 2bl8 h LEU 45 Cb 1.28 -0.23 -0.26 0.00 1.08 0.00 0.00 40.66 42.53 2bl8 h LEU 45 CO 0.11 1.51 -0.58 -0.62 -1.08 0.00 0.00 178.44 177.78 2bl8 s ASP 46 N -7.34 0.01 0.00 -0.43 2.15 -1.20 -5.00 116.67 104.86 2bl8 s ASP 46 Ca -0.08 -1.12 0.29 0.00 0.43 0.00 0.00 52.55 52.08 2bl8 s ASP 46 Cb 0.06 1.17 1.34 0.00 -0.30 0.00 0.00 42.92 45.20 2bl8 s ASP 46 CO 0.91 -0.24 1.93 -0.81 -0.17 0.00 0.00 175.17 176.80 2bl8 n PRO 47 N 4.45 0.63 -0.24 4.34 -0.04 -0.81 -4.38 135.00 138.95 2bl8 n PRO 47 Ca 0.10 -0.15 0.05 0.00 -0.04 0.00 0.00 63.50 63.45 2bl8 n PRO 47 Cb 0.50 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.62 2bl8 n PRO 47 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2bl8 h SER 48 N 0.38 -0.19 -0.43 3.54 4.64 -1.94 0.41 113.55 119.96 2bl8 h SER 48 Ca 0.00 0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2bl8 h SER 48 Cb 0.32 0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 2bl8 h SER 48 CO 0.00 -0.11 0.25 1.55 -0.87 0.00 0.00 176.83 177.65 2bl8 h PRO 49 N 0.17 0.59 -0.25 4.77 0.13 -2.00 0.01 132.00 135.42 2bl8 h PRO 49 Ca 0.40 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 65.41 2bl8 h PRO 49 Cb 0.69 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 2bl8 h PRO 49 CO -0.58 0.45 -0.05 1.25 -0.23 0.00 0.00 178.00 178.84 2bl8 h LEU 50 N 0.57 0.48 -0.89 1.56 5.85 -1.73 -2.60 115.31 118.54 2bl8 h LEU 50 Ca 0.15 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 2bl8 h LEU 50 Cb 0.02 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2bl8 h LEU 50 CO -0.03 0.73 0.29 0.40 -0.34 0.00 0.00 178.44 179.48 2bl8 h ILE 51 N 0.22 1.25 -0.71 4.05 1.08 -0.81 -0.59 117.51 122.01 2bl8 h ILE 51 Ca 0.06 -0.80 -0.03 0.00 -0.39 0.00 0.00 64.86 63.71 2bl8 h ILE 51 Cb 0.52 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.61 2bl8 h ILE 51 CO 0.02 0.32 0.33 -1.13 -0.69 0.00 0.00 178.15 177.01 2bl8 h ASN 52 N 1.07 0.93 -0.55 1.72 -0.73 -0.94 -0.58 115.58 116.50 2bl8 h ASN 52 Ca 0.25 -0.14 -0.05 0.00 1.87 0.00 0.00 56.30 58.23 2bl8 h ASN 52 Cb 0.22 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.54 2bl8 h ASN 52 CO -0.02 0.81 0.17 0.03 -0.37 0.00 0.00 177.43 178.05 2bl8 h ARG 53 N 0.99 0.90 -0.47 6.67 3.08 -1.04 -0.76 114.38 123.75 2bl8 h ARG 53 Ca 0.24 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 2bl8 h ARG 53 Cb 0.13 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2bl8 h ARG 53 CO -0.03 0.79 0.19 1.25 -1.07 0.00 0.00 179.97 181.10 2bl8 h LEU 54 N 0.87 0.65 -0.46 3.04 5.85 -0.45 -0.77 115.31 124.05 2bl8 h LEU 54 Ca 0.19 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2bl8 h LEU 54 Cb 0.28 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2bl8 h LEU 54 CO -0.01 0.64 0.22 0.58 -0.34 0.00 0.00 178.44 179.54 2bl8 h VAL 55 N 0.62 1.18 -0.62 1.05 2.07 -0.61 -0.11 116.25 119.82 2bl8 h VAL 55 Ca 0.16 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.21 2bl8 h VAL 55 Cb 0.19 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 2bl8 h VAL 55 CO -0.01 0.20 0.37 0.78 0.02 0.00 0.00 177.57 178.92 2bl8 h ASN 56 N 0.60 0.58 -0.72 0.57 -0.26 -0.95 -2.02 115.58 113.38 2bl8 h ASN 56 Ca 0.16 0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.89 2bl8 h ASN 56 Cb 0.11 -0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 37.23 2bl8 h ASN 56 CO -0.02 0.39 0.35 0.22 -1.06 0.00 0.00 177.43 177.31 2bl8 h TYR 57 N 0.71 1.02 -0.45 1.19 3.20 -0.65 -1.72 116.97 120.26 2bl8 h TYR 57 Ca 0.26 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 2bl8 h TYR 57 Cb 0.08 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 2bl8 h TYR 57 CO -0.06 0.75 0.21 -0.07 -1.64 0.00 0.00 178.16 177.35 2bl8 h LEU 58 N 1.00 0.60 -0.62 2.82 3.38 -0.39 -0.18 115.31 121.91 2bl8 h LEU 58 Ca 0.25 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 2bl8 h LEU 58 Cb 0.11 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2bl8 h LEU 58 CO -0.03 0.57 -0.52 1.88 0.09 0.00 0.00 178.44 180.43 2bl8 h TYR 59 N 0.59 0.56 -0.53 1.13 0.05 -1.28 -0.59 116.97 116.90 2bl8 h TYR 59 Ca 0.16 -0.19 -0.09 0.00 0.05 0.00 0.00 58.73 58.66 2bl8 h TYR 59 Cb 0.13 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 2bl8 h TYR 59 CO -0.01 0.88 -0.00 0.35 -1.05 0.00 0.00 178.16 178.33 2bl8 h PHE 60 N 0.35 1.02 -0.04 4.88 3.57 -1.13 -2.11 116.94 123.47 2bl8 h PHE 60 Ca 0.01 -0.18 -0.12 0.00 3.53 0.00 0.00 57.97 61.21 2bl8 h PHE 60 Cb 1.03 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 2bl8 h PHE 60 CO 0.04 0.94 -0.54 1.15 -2.23 0.00 0.00 178.31 177.66 2bl8 h THR 61 N 0.80 1.38 -0.53 4.41 2.02 -0.90 -1.42 112.91 118.67 2bl8 h THR 61 Ca 0.15 -1.85 -0.07 0.00 0.77 0.00 0.00 66.41 65.41 2bl8 h THR 61 Cb 0.53 1.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 2bl8 h THR 61 CO 0.03 0.54 0.05 0.00 0.37 0.00 0.00 175.52 176.50 2bl8 h ALA 62 N 1.35 1.09 -0.08 6.16 0.00 -0.90 -0.09 119.26 126.79 2bl8 h ALA 62 Ca -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2bl8 h ALA 62 Cb 0.99 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2bl8 h ALA 62 CO 0.08 0.58 -0.03 -0.92 0.00 0.00 0.00 179.25 178.96 2bl8 h TYR 63 N 0.81 0.18 -0.24 0.00 3.20 -0.97 0.13 116.97 120.07 2bl8 h TYR 63 Ca 0.16 -0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.86 2bl8 h TYR 63 Cb 0.42 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 2bl8 h TYR 63 CO 0.02 0.50 -0.40 1.79 -1.64 0.00 0.00 178.16 178.43 2bl8 h THR 64 N -0.19 1.30 -0.30 1.81 1.35 -1.14 -3.10 112.91 112.64 2bl8 h THR 64 Ca 0.02 -1.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.33 2bl8 h THR 64 Cb 0.44 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 2bl8 h THR 64 CO 0.01 0.49 0.00 0.59 -0.25 0.00 0.00 175.52 176.36 2bl8 n ASN 65 N -4.03 2.99 -3.68 5.36 4.13 -0.06 -4.97 115.26 115.00 2bl8 n ASN 65 Ca -0.02 -1.93 -0.25 0.00 1.68 0.00 0.00 54.58 54.07 2bl8 n ASN 65 Cb 0.51 -0.19 0.03 0.00 -1.54 0.00 0.00 39.78 38.59 2bl8 n ASN 65 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2bl8 n LYS 66 N 1.20 -3.09 -3.92 3.52 4.01 -0.29 -4.98 118.16 114.62 2bl8 n LYS 66 Ca 0.18 0.56 -0.36 0.00 -0.51 0.00 0.00 58.31 58.18 2bl8 n LYS 66 Cb 0.54 -4.78 -0.07 0.00 -0.51 0.00 0.00 35.03 30.21 2bl8 n LYS 66 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2bl8 s ILE 67 N -3.61 5.30 -0.27 -0.18 1.01 0.29 -5.04 121.20 118.70 2bl8 s ILE 67 Ca 0.22 0.13 -0.02 0.00 0.00 0.00 0.00 60.65 60.98 2bl8 s ILE 67 Cb -0.07 -3.33 0.04 0.00 0.01 0.00 0.00 42.46 39.11 2bl8 s ILE 67 CO 0.83 0.57 -0.03 -0.13 0.00 0.00 0.00 174.94 176.18 2bl8 s ARG 68 N -0.63 2.67 0.45 2.79 1.81 -1.26 -4.74 118.95 120.04 2bl8 s ARG 68 Ca 0.12 -1.10 -0.23 0.00 -1.72 0.00 0.00 55.73 52.80 2bl8 s ARG 68 Cb -0.12 -3.07 -0.07 0.00 -0.45 0.00 0.00 34.95 31.23 2bl8 s ARG 68 CO 0.02 -0.49 1.18 -0.06 -0.68 0.00 0.00 175.30 175.27 2bl8 s PHE 69 N 1.30 2.88 0.88 -0.53 0.08 -1.26 -5.01 117.98 116.32 2bl8 s PHE 69 Ca -0.02 1.53 -0.12 0.00 0.12 0.00 0.00 56.93 58.44 2bl8 s PHE 69 Cb -0.18 -3.41 0.12 0.00 -0.57 0.00 0.00 43.02 38.98 2bl8 s PHE 69 CO -0.03 -1.56 1.10 0.95 -0.10 0.00 0.00 175.22 175.58 2bl8 s THR 70 N -1.50 2.55 0.25 0.64 -4.23 -1.26 -4.71 115.64 107.38 2bl8 s THR 70 Ca 0.62 0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 61.28 2bl8 s THR 70 Cb -0.30 -2.81 0.22 0.00 1.34 0.00 0.00 72.50 70.95 2bl8 s THR 70 CO 0.37 -0.23 1.80 1.05 -0.54 0.00 0.00 174.62 177.07 2bl8 h GLU 71 N -1.44 0.75 -0.31 3.99 4.11 -1.99 0.60 114.58 120.29 2bl8 h GLU 71 Ca -0.50 -0.05 -0.07 0.00 0.07 0.00 0.00 59.36 58.82 2bl8 h GLU 71 Cb 1.30 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2bl8 h GLU 71 CO 0.58 0.50 -0.07 -0.92 0.07 0.00 0.00 179.01 179.17 2bl8 h TYR 72 N 0.78 0.67 -0.68 2.06 3.20 -1.99 -2.04 116.97 118.96 2bl8 h TYR 72 Ca 0.41 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 2bl8 h TYR 72 Cb 0.41 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 2bl8 h TYR 72 CO -0.06 0.78 0.41 1.96 -1.64 0.00 0.00 178.16 179.60 2bl8 h GLN 73 N 0.37 0.93 -0.52 1.82 4.20 -1.73 -1.35 115.11 118.83 2bl8 h GLN 73 Ca 0.08 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 2bl8 h GLN 73 Cb 0.55 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 2bl8 h GLN 73 CO 0.03 0.66 0.10 0.93 -0.67 0.00 0.00 178.83 179.88 2bl8 h GLU 74 N 0.93 0.81 -0.52 1.46 5.08 -0.82 -0.81 114.58 120.70 2bl8 h GLU 74 Ca 0.24 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2bl8 h GLU 74 Cb -0.03 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2bl8 h GLU 74 CO -0.05 0.75 0.21 1.49 -1.00 0.00 0.00 179.01 180.42 2bl8 h GLU 75 N 0.78 0.78 -0.47 2.33 4.81 -0.72 0.03 114.58 122.11 2bl8 h GLU 75 Ca 0.17 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2bl8 h GLU 75 Cb 0.32 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2bl8 h GLU 75 CO 0.00 0.68 0.17 -0.07 -0.73 0.00 0.00 179.01 179.06 2bl8 h LEU 76 N 0.70 0.66 -0.82 1.64 3.38 -0.84 -0.98 115.31 119.06 2bl8 h LEU 76 Ca 0.17 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2bl8 h LEU 76 Cb 0.19 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2bl8 h LEU 76 CO -0.02 0.66 0.32 0.40 0.09 0.00 0.00 178.44 179.90 2bl8 h ILE 77 N 0.62 1.26 -0.80 1.22 2.04 -0.92 -1.09 117.51 119.85 2bl8 h ILE 77 Ca 0.15 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 2bl8 h ILE 77 Cb 0.22 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 2bl8 h ILE 77 CO -0.01 0.34 0.37 -0.09 0.00 0.00 0.00 178.15 178.76 2bl8 h ARG 78 N 1.17 1.15 -0.84 2.37 2.43 -0.72 -2.33 114.38 117.61 2bl8 h ARG 78 Ca 0.27 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2bl8 h ARG 78 Cb 0.21 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 2bl8 h ARG 78 CO -0.02 0.90 0.48 -0.91 -1.51 0.00 0.00 179.97 178.91 2bl8 h ASN 79 N 1.13 1.02 -0.62 -3.80 2.35 -0.36 -1.39 115.58 113.91 2bl8 h ASN 79 Ca 0.27 -0.07 0.13 0.00 -0.55 0.00 0.00 56.30 56.08 2bl8 h ASN 79 Cb 0.14 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 2bl8 h ASN 79 CO -0.03 0.81 0.42 -0.07 -1.65 0.00 0.00 177.43 176.91 2bl8 h LEU 80 N 1.16 0.25-10.13 1.61 3.38 -0.66 -3.52 115.31 107.41 2bl8 h LEU 80 Ca 0.30 0.01 -0.51 0.00 0.09 0.00 0.00 57.88 57.77 2bl8 h LEU 80 Cb -0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2bl8 h LEU 80 CO -0.05 0.14 -0.09 -0.44 0.09 0.00 0.00 178.44 178.09 2bl8 s SER 81 N -6.15 6.44 0.00 -0.43 0.01 -0.53 -4.87 113.70 108.17 2bl8 s SER 81 Ca -0.07 0.78 0.00 0.00 1.31 0.00 0.00 55.95 57.97 2bl8 s SER 81 Cb 0.20 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 64.26 2bl8 s SER 81 CO 0.75 -0.26 0.00 -0.11 0.41 0.00 0.00 173.24 174.03 2bl8 n LEU 92 N -1.12 0.00 -2.44 2.44 7.94 -1.26 -5.00 117.00 117.57 2bl8 n LEU 92 Ca -0.01 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.84 2bl8 n LEU 92 Cb 0.54 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.45 2bl8 n LEU 92 CO 0.48 0.00 -0.56 0.00 -1.11 0.00 0.00 177.39 176.20 2bl8 n TYR 93 N 0.00 -3.81 0.39 1.96 9.36 -1.26 -4.94 117.16 118.86 2bl8 n TYR 93 Ca 0.00 2.17 0.11 0.00 3.32 0.00 0.00 57.90 63.50 2bl8 n TYR 93 Cb 0.00 -3.59 0.00 0.00 -0.63 0.00 0.00 39.34 35.12 2bl8 n TYR 93 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2bl8 n ARG 94 N 1.36 0.41 0.00 2.98 1.74 -1.26 -5.03 116.66 116.85 2bl8 n ARG 94 Ca -0.33 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.76 2bl8 n ARG 94 Cb 0.51 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 2bl8 n ARG 94 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bl8 n ALA 95 N -1.96 0.00 -1.65 7.54 0.00 -1.26 -4.53 120.51 118.65 2bl8 n ALA 95 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.09 2bl8 n ALA 95 Cb 0.48 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.99 2bl8 n ALA 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bl8 s ASP 96 N 0.00 4.73 0.04 0.00 1.01 -1.26 -4.85 116.67 116.34 2bl8 s ASP 96 Ca 0.00 2.47 -0.35 0.00 0.71 0.00 0.00 52.55 55.38 2bl8 s ASP 96 Cb 0.00 -2.60 -0.14 0.00 1.01 0.00 0.00 42.92 41.18 2bl8 s ASP 96 CO 0.00 -1.91 1.61 0.00 0.21 0.00 0.00 175.17 175.07 2bl8 n TYR 97 N -1.98 2.09 -0.22 4.23 9.36 -1.26 -1.41 117.16 127.96 2bl8 n TYR 97 Ca 0.14 0.32 0.00 0.00 3.32 0.00 0.00 57.90 61.69 2bl8 n TYR 97 Cb 0.49 -2.51 0.00 0.00 -0.63 0.00 0.00 39.34 36.69 2bl8 n TYR 97 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2bl8 n GLY 98 N 3.51 1.41 3.71 2.98 0.00 -1.26 -5.03 105.19 110.50 2bl8 n GLY 98 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2bl8 n GLY 98 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bl8 s ASP 99 N -3.11 6.93 0.36 1.61 -1.08 -0.50 -4.90 116.67 115.98 2bl8 s ASP 99 Ca 0.00 2.18 0.27 0.00 -0.52 0.00 0.00 52.55 54.48 2bl8 s ASP 99 Cb 0.00 -2.58 1.20 0.00 -1.46 0.00 0.00 42.92 40.08 2bl8 s ASP 99 CO 0.00 -0.58 1.81 0.07 0.52 0.00 0.00 175.17 176.98 2bl8 h LYS 100 N 6.89 0.00 0.00 4.34 2.10 -1.96 -3.12 116.57 124.82 2bl8 h LYS 100 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 2bl8 h LYS 100 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2bl8 h LYS 100 CO 0.85 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.96 2bl8 h SER 101 N 0.00 0.00 0.89 7.07 4.64 -1.94 -2.40 113.55 121.81 2bl8 h SER 101 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bl8 h SER 101 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2bl8 h SER 101 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2bl8 n GLN 102 N -2.66 0.01 0.00 4.77 10.64 -1.18 -5.01 117.38 123.95 2bl8 n GLN 102 Ca -0.01 0.05 0.11 0.00 -1.83 0.00 0.00 57.00 55.32 2bl8 n GLN 102 Cb 0.10 -1.50 0.09 0.00 -0.86 0.00 0.00 30.24 28.08 2bl8 n GLN 102 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42