#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mr8 s LEU 2 N 0.00 3.21 0.99 -0.89 0.05 -1.26 -5.11 118.68 115.66 1mr8 s LEU 2 Ca 0.00 -0.03 -0.13 0.00 0.05 0.00 0.00 54.13 54.02 1mr8 s LEU 2 Cb 0.00 -1.71 0.18 0.00 -2.05 0.00 0.00 46.19 42.61 1mr8 s LEU 2 CO 0.00 0.34 1.11 0.42 -0.55 0.00 0.00 176.35 177.67 1mr8 s THR 3 N -0.65 1.97 0.24 5.48 -4.23 -1.26 -4.82 115.64 112.37 1mr8 s THR 3 Ca 0.10 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.56 1mr8 s THR 3 Cb -0.12 -2.59 0.16 0.00 1.34 0.00 0.00 72.50 71.30 1mr8 s THR 3 CO 0.02 0.00 1.80 -0.08 -0.54 0.00 0.00 174.62 175.82 1mr8 h GLU 4 N -1.83 1.08 -0.57 3.99 4.57 -1.99 -1.83 114.58 117.99 1mr8 h GLU 4 Ca -0.53 -0.20 -0.07 0.00 -1.18 0.00 0.00 59.36 57.39 1mr8 h GLU 4 Cb 1.33 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.72 1mr8 h GLU 4 CO 0.57 0.89 0.09 -0.07 -1.18 0.00 0.00 179.01 179.30 1mr8 h LEU 5 N 1.05 0.91 -0.67 1.64 3.38 -1.99 -1.94 115.31 117.68 1mr8 h LEU 5 Ca 0.24 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1mr8 h LEU 5 Cb 0.22 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1mr8 h LEU 5 CO -0.02 0.94 0.28 -0.33 0.09 0.00 0.00 178.44 179.41 1mr8 h GLU 6 N 0.84 1.00 -0.53 1.13 5.08 -1.83 -1.31 114.58 118.95 1mr8 h GLU 6 Ca 0.17 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1mr8 h GLU 6 Cb 0.42 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1mr8 h GLU 6 CO 0.01 0.82 0.18 0.87 -1.00 0.00 0.00 179.01 179.90 1mr8 h LYS 7 N 0.95 0.81 -0.61 2.33 1.57 -1.19 -0.46 116.57 119.98 1mr8 h LYS 7 Ca 0.23 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1mr8 h LYS 7 Cb 0.19 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1mr8 h LYS 7 CO -0.02 0.74 0.27 0.00 -0.57 0.00 0.00 179.45 179.87 1mr8 h ALA 8 N 1.04 0.79 -0.58 3.86 0.00 -1.07 -1.29 119.26 122.01 1mr8 h ALA 8 Ca 0.17 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1mr8 h ALA 8 Cb 0.25 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1mr8 h ALA 8 CO -0.01 0.38 -0.05 -0.07 0.00 0.00 0.00 179.25 179.50 1mr8 h LEU 9 N 0.84 1.04 -0.87 0.00 3.38 -1.06 -1.98 115.31 116.67 1mr8 h LEU 9 Ca 0.21 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1mr8 h LEU 9 Cb 0.16 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1mr8 h LEU 9 CO -0.02 1.11 0.47 0.78 0.09 0.00 0.00 178.44 180.87 1mr8 h ASN 10 N 0.95 1.09 -0.49 -0.43 2.35 -0.77 0.76 115.58 119.04 1mr8 h ASN 10 Ca 0.16 -0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 1mr8 h ASN 10 Cb 0.61 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 1mr8 h ASN 10 CO 0.04 0.88 0.04 -1.28 -1.65 0.00 0.00 177.43 175.46 1mr8 h SER 11 N 1.21 0.85 -0.46 5.81 0.87 -1.00 0.13 113.55 120.96 1mr8 h SER 11 Ca 0.30 -0.20 -0.07 0.00 -1.23 0.00 0.00 61.79 60.59 1mr8 h SER 11 Cb 0.03 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 1mr8 h SER 11 CO -0.05 0.89 0.00 0.40 -0.53 0.00 0.00 176.83 177.54 1mr8 h ILE 12 N 0.83 1.26 -0.15 2.23 2.04 -0.59 -1.62 117.51 121.51 1mr8 h ILE 12 Ca 0.16 -1.05 -0.08 0.00 1.00 0.00 0.00 64.86 64.89 1mr8 h ILE 12 Cb 0.44 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1mr8 h ILE 12 CO 0.02 0.37 -0.28 0.40 0.00 0.00 0.00 178.15 178.65 1mr8 h ILE 13 N 0.67 1.26 -0.27 -0.67 2.04 -0.49 -2.49 117.51 117.56 1mr8 h ILE 13 Ca 0.13 -1.21 -0.10 0.00 1.00 0.00 0.00 64.86 64.68 1mr8 h ILE 13 Cb 0.50 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1mr8 h ILE 13 CO 0.02 0.37 -0.26 0.44 0.00 0.00 0.00 178.15 178.72 1mr8 h ASP 14 N 0.25 0.53 -0.53 1.72 3.32 -0.37 -2.47 116.42 118.87 1mr8 h ASP 14 Ca 0.04 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 56.82 1mr8 h ASP 14 Cb 0.63 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1mr8 h ASP 14 CO 0.05 0.79 0.03 0.58 -1.72 0.00 0.00 179.24 178.96 1mr8 h VAL 15 N 0.46 1.26 -0.04 -1.35 2.07 -0.87 -2.57 116.25 115.22 1mr8 h VAL 15 Ca 0.06 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 1mr8 h VAL 15 Cb 0.70 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1mr8 h VAL 15 CO 0.05 0.37 0.02 0.22 0.02 0.00 0.00 177.57 178.26 1mr8 h TYR 16 N 0.80 0.05 -0.84 1.57 3.20 -1.26 -3.02 116.97 117.46 1mr8 h TYR 16 Ca 0.15 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.11 1mr8 h TYR 16 Cb 0.49 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.68 1mr8 h TYR 16 CO 0.04 0.11 0.55 0.45 -1.64 0.00 0.00 178.16 177.66 1mr8 h HIS 17 N -0.03 0.89 -0.13 -3.82 3.86 -1.39 0.09 115.15 114.63 1mr8 h HIS 17 Ca 0.01 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.28 1mr8 h HIS 17 Cb 0.08 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 1mr8 h HIS 17 CO -0.05 0.42 0.12 -0.22 0.86 0.00 0.00 177.93 179.07 1mr8 h LYS 18 N 0.84 0.00 0.00 2.45 3.64 -1.32 -1.09 116.57 121.09 1mr8 h LYS 18 Ca 0.38 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.47 1mr8 h LYS 18 Cb 0.38 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.15 1mr8 h LYS 18 CO -0.15 0.00 -2.11 0.66 -2.27 0.00 0.00 179.45 175.57 1mr8 n TYR 19 N -3.99 0.00 0.25 1.91 4.01 -0.39 -4.41 117.16 114.54 1mr8 n TYR 19 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.88 1mr8 n TYR 19 Cb 0.24 -0.78 0.55 0.00 -0.31 0.00 0.00 39.34 39.03 1mr8 n TYR 19 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1mr8 h SER 20 N 0.00 0.00 -0.10 7.72 4.64 -0.86 -2.77 113.55 122.18 1mr8 h SER 20 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1mr8 h SER 20 Cb 1.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.98 1mr8 h SER 20 CO -0.01 0.11 0.00 0.18 -0.87 0.00 0.00 176.83 176.24 1mr8 n LEU 21 N -3.24 1.19 -0.02 5.97 4.77 -0.43 -4.16 117.00 121.08 1mr8 n LEU 21 Ca 0.01 -0.48 -0.12 0.00 -0.03 0.00 0.00 56.01 55.39 1mr8 n LEU 21 Cb 0.38 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.34 1mr8 n LEU 21 CO 0.30 0.24 0.80 0.40 -1.33 0.00 0.00 177.39 177.80 1mr8 h ILE 22 N 1.62 1.18 -2.63 -0.08 1.08 -1.70 -3.49 117.51 113.49 1mr8 h ILE 22 Ca 0.00 -0.53 0.12 0.00 -0.39 0.00 0.00 64.86 64.05 1mr8 h ILE 22 Cb 0.35 1.37 -0.03 0.00 -3.07 0.00 0.00 36.82 35.44 1mr8 h ILE 22 CO 0.00 0.15 0.48 -1.59 -0.69 0.00 0.00 178.15 176.50 1mr8 s LYS 23 N -5.38 1.54 4.35 2.37 -2.85 -1.26 -5.13 119.74 113.37 1mr8 s LYS 23 Ca -0.14 -0.97 0.00 0.00 -1.00 0.00 0.00 55.97 53.86 1mr8 s LYS 23 Cb 0.05 0.45 0.00 0.00 -2.06 0.00 0.00 37.83 36.27 1mr8 s LYS 23 CO 0.69 -0.72 0.00 0.41 0.10 0.00 0.00 175.35 175.83 1mr8 n GLY 24 N -0.61 2.83 3.67 0.59 0.00 -1.26 -4.26 105.19 106.14 1mr8 n GLY 24 Ca -0.05 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 1mr8 n GLY 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mr8 s ASN 25 N -4.00 6.87 0.00 1.61 3.84 -1.26 -4.89 114.94 117.12 1mr8 s ASN 25 Ca 0.00 1.91 0.06 0.00 0.21 0.00 0.00 52.86 55.04 1mr8 s ASN 25 Cb 0.00 -2.54 0.35 0.00 -0.55 0.00 0.00 41.25 38.51 1mr8 s ASN 25 CO 0.00 -0.77 1.01 0.49 -2.79 0.00 0.00 177.10 175.03 1mr8 n PHE 26 N 6.34 0.00 -1.32 0.43 3.72 -1.26 -2.26 117.46 123.11 1mr8 n PHE 26 Ca 0.14 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.62 1mr8 n PHE 26 Cb 0.44 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 39.15 1mr8 n PHE 26 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1mr8 n HIS 27 N -0.62 0.00 -3.92 1.38 8.25 -1.26 -4.23 115.22 114.82 1mr8 n HIS 27 Ca 0.04 -1.18 -0.10 0.00 -0.26 0.00 0.00 57.72 56.22 1mr8 n HIS 27 Cb 0.02 -0.19 -0.11 0.00 1.12 0.00 0.00 29.99 30.83 1mr8 n HIS 27 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mr8 s ALA 28 N -2.94 -0.12 -0.15 -1.41 0.00 -0.96 -4.43 121.76 111.76 1mr8 s ALA 28 Ca 0.34 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1mr8 s ALA 28 Cb 0.31 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.53 1mr8 s ALA 28 CO -0.01 -0.17 -0.15 0.08 0.00 0.00 0.00 175.76 175.51 1mr8 s VAL 29 N -1.27 2.76 0.62 0.00 1.01 0.12 -4.40 120.40 119.25 1mr8 s VAL 29 Ca -0.14 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 1mr8 s VAL 29 Cb -0.08 -2.17 0.06 0.00 0.00 0.00 0.00 36.38 34.20 1mr8 s VAL 29 CO 0.00 0.51 0.86 -0.31 0.00 0.00 0.00 175.10 176.17 1mr8 s TYR 30 N 0.73 2.49 0.18 5.22 2.02 -1.26 -0.18 117.35 126.55 1mr8 s TYR 30 Ca -0.06 -0.04 -0.22 0.00 -0.37 0.00 0.00 57.07 56.37 1mr8 s TYR 30 Cb -0.15 -2.87 0.10 0.00 -0.40 0.00 0.00 41.96 38.64 1mr8 s TYR 30 CO 0.01 -1.18 1.58 -0.09 -1.57 0.00 0.00 175.55 174.31 1mr8 h ARG 31 N -0.17 -0.18 0.00 -0.62 2.43 -1.99 0.10 114.38 113.95 1mr8 h ARG 31 Ca -0.41 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 58.68 1mr8 h ARG 31 Cb 1.29 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 1mr8 h ARG 31 CO 0.50 -0.12 -0.48 0.38 -1.51 0.00 0.00 179.97 178.74 1mr8 h ASP 32 N -0.18 0.00 -0.47 -3.80 2.03 -1.98 -2.11 116.42 109.91 1mr8 h ASP 32 Ca 0.22 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.42 1mr8 h ASP 32 Cb 0.55 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.04 1mr8 h ASP 32 CO -0.67 0.48 -0.08 0.44 -1.03 0.00 0.00 179.24 178.38 1mr8 h ASP 33 N 0.00 0.89 -0.59 4.15 3.32 -1.61 -2.69 116.42 119.89 1mr8 h ASP 33 Ca -0.00 -0.34 -0.07 0.00 0.02 0.00 0.00 57.03 56.63 1mr8 h ASP 33 Cb 0.87 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 1mr8 h ASP 33 CO 0.06 1.02 0.11 0.25 -1.72 0.00 0.00 179.24 178.97 1mr8 h LEU 34 N 0.74 0.92 -0.97 1.55 5.85 -0.58 -1.60 115.31 121.22 1mr8 h LEU 34 Ca 0.12 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.65 1mr8 h LEU 34 Cb 0.61 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 1mr8 h LEU 34 CO 0.04 0.94 0.62 0.50 -0.34 0.00 0.00 178.44 180.20 1mr8 h LYS 35 N 0.87 1.10 -0.23 1.25 3.64 -1.26 0.11 116.57 122.05 1mr8 h LYS 35 Ca 0.18 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1mr8 h LYS 35 Cb 0.40 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1mr8 h LYS 35 CO 0.01 0.73 0.07 0.87 -2.27 0.00 0.00 179.45 178.85 1mr8 h LYS 36 N 1.14 0.37 -0.47 1.90 6.56 -1.16 -2.47 116.57 122.43 1mr8 h LYS 36 Ca 0.42 -0.08 0.02 0.00 -1.06 0.00 0.00 60.65 59.94 1mr8 h LYS 36 Cb 0.15 -0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 31.73 1mr8 h LYS 36 CO -0.17 0.46 0.28 1.25 -2.06 0.00 0.00 179.45 179.21 1mr8 h LEU 37 N 0.20 0.46 -0.03 2.94 6.46 -0.27 -2.32 115.31 122.75 1mr8 h LEU 37 Ca 0.07 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.83 1mr8 h LEU 37 Cb 0.25 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.09 1mr8 h LEU 37 CO -0.00 0.33 0.01 -0.07 -0.62 0.00 0.00 178.44 178.09 1mr8 h LEU 38 N 0.57 0.04 0.00 2.25 3.38 -0.74 0.75 115.31 121.55 1mr8 h LEU 38 Ca 0.19 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1mr8 h LEU 38 Cb 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1mr8 h LEU 38 CO -0.08 0.20 0.00 -1.84 0.09 0.00 0.00 178.44 176.81 1mr8 n GLU 39 N -4.98 0.47 -0.04 1.13 0.28 -0.94 -2.10 120.64 114.47 1mr8 n GLU 39 Ca -0.07 0.04 -0.04 0.00 -0.16 0.00 0.00 57.16 56.93 1mr8 n GLU 39 Cb 0.11 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.43 1mr8 n GLU 39 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1mr8 n THR 40 N -1.21 0.49 0.11 3.84 -1.04 -0.88 -4.77 114.28 110.82 1mr8 n THR 40 Ca 0.14 -0.29 0.01 0.00 -2.04 0.00 0.00 64.05 61.88 1mr8 n THR 40 Cb 0.17 -0.81 0.01 0.00 -1.82 0.00 0.00 70.33 67.88 1mr8 n THR 40 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1mr8 n GLU 41 N -2.34 -0.55 -4.61 -2.82 -0.58 0.24 -5.04 120.64 104.93 1mr8 n GLU 41 Ca -0.12 -0.68 -0.30 0.00 -0.42 0.00 0.00 57.16 55.64 1mr8 n GLU 41 Cb 0.72 -1.05 -0.13 0.00 -0.57 0.00 0.00 31.44 30.41 1mr8 n GLU 41 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1mr8 s PRO 43 N -1.65 1.51 0.19 0.00 0.04 -1.26 -4.69 135.00 129.14 1mr8 s PRO 43 Ca 0.14 1.06 -0.13 0.00 0.04 0.00 0.00 61.00 62.11 1mr8 s PRO 43 Cb -0.10 -1.82 0.21 0.00 0.04 0.00 0.00 34.50 32.83 1mr8 s PRO 43 CO 0.05 -2.13 1.69 -0.56 0.04 0.00 0.00 177.00 176.09 1mr8 h GLN 44 N -1.48 0.17 0.00 4.56 -0.00 -1.98 0.64 115.11 117.01 1mr8 h GLN 44 Ca -0.47 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 1mr8 h GLN 44 Cb 1.26 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 28.71 1mr8 h GLN 44 CO 0.51 0.11 0.00 2.48 -0.00 0.00 0.00 178.83 181.93 1mr8 n TYR 45 N -5.18 0.00 -0.07 0.06 0.18 -1.26 -1.36 117.16 109.53 1mr8 n TYR 45 Ca 0.06 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.74 1mr8 n TYR 45 Cb 0.27 -0.36 -0.06 0.00 -0.38 0.00 0.00 39.34 38.81 1mr8 n TYR 45 CO 0.00 0.00 0.00 -0.89 -2.08 0.00 0.00 176.86 173.89 1mr8 n ILE 46 N -1.36 0.76 0.01 -3.48 5.41 -0.33 -4.67 119.36 115.71 1mr8 n ILE 46 Ca 0.02 -0.27 -0.10 0.00 1.00 0.00 0.00 62.75 63.39 1mr8 n ILE 46 Cb 0.04 -1.11 -0.05 0.00 -0.71 0.00 0.00 39.64 37.81 1mr8 n ILE 46 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1mr8 h ARG 47 N -0.10 -0.03 0.00 0.38 3.08 -0.45 -2.89 114.38 114.38 1mr8 h ARG 47 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1mr8 h ARG 47 Cb 1.43 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.49 1mr8 h ARG 47 CO -0.08 -0.02 0.13 0.36 -1.07 0.00 0.00 179.97 179.29 1mr8 n LYS 48 N -5.16 0.00 0.10 0.04 0.00 -0.46 -1.32 118.16 111.35 1mr8 n LYS 48 Ca -0.05 0.16 -0.03 0.00 -0.00 0.00 0.00 58.31 58.38 1mr8 n LYS 48 Cb 0.09 -1.63 0.00 0.00 -0.00 0.00 0.00 35.03 33.49 1mr8 n LYS 48 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1mr8 h LYS 49 N 0.00 0.00 0.00 -1.58 3.64 -1.79 -3.50 116.57 113.34 1mr8 h LYS 49 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1mr8 h LYS 49 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1mr8 h LYS 49 CO 0.00 0.80 0.00 0.41 -2.27 0.00 0.00 179.45 178.39 1mr8 n GLY 50 N 0.98 2.66 0.22 5.01 0.00 -0.44 -4.68 105.19 108.95 1mr8 n GLY 50 Ca -0.00 -1.32 0.06 0.00 0.00 0.00 0.00 46.02 44.76 1mr8 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mr8 h ALA 51 N 0.00 1.52 0.08 4.61 0.00 -1.95 -1.67 119.26 121.85 1mr8 h ALA 51 Ca 0.00 -0.20 -0.26 0.00 0.00 0.00 0.00 54.91 54.45 1mr8 h ALA 51 Cb 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1mr8 h ALA 51 CO 0.00 0.27 -1.14 -0.44 0.00 0.00 0.00 179.25 177.94 1mr8 h ASP 52 N 0.00 0.58 -0.21 0.00 3.32 -1.96 -1.69 116.42 116.47 1mr8 h ASP 52 Ca -0.00 -0.54 -0.03 0.00 0.02 0.00 0.00 57.03 56.48 1mr8 h ASP 52 Cb 0.42 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1mr8 h ASP 52 CO 0.03 1.38 0.03 0.58 -1.72 0.00 0.00 179.24 179.53 1mr8 h VAL 53 N 0.18 1.23 -0.55 -1.35 2.07 -1.78 -1.24 116.25 114.81 1mr8 h VAL 53 Ca -0.13 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 66.64 1mr8 h VAL 53 Cb 1.82 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 1mr8 h VAL 53 CO 0.20 0.24 0.34 -0.50 0.02 0.00 0.00 177.57 177.86 1mr8 h TRP 54 N 0.15 0.63 -0.10 1.57 -0.00 -1.34 -0.51 115.95 116.35 1mr8 h TRP 54 Ca 0.06 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 58.97 1mr8 h TRP 54 Cb 0.33 -0.20 -0.00 0.00 -0.00 0.00 0.00 29.16 29.28 1mr8 h TRP 54 CO 0.02 0.36 0.06 0.35 -0.00 0.00 0.00 178.44 179.24 1mr8 h PHE 55 N 0.67 0.13 -0.98 0.49 3.57 -1.16 0.18 116.94 119.84 1mr8 h PHE 55 Ca 0.22 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.81 1mr8 h PHE 55 Cb 0.01 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.63 1mr8 h PHE 55 CO -0.06 0.13 0.63 0.87 -2.23 0.00 0.00 178.31 177.65 1mr8 h LYS 56 N 0.09 1.00 -0.18 1.11 6.56 -0.89 0.11 116.57 124.37 1mr8 h LYS 56 Ca 0.04 -0.06 -0.16 0.00 -1.06 0.00 0.00 60.65 59.41 1mr8 h LYS 56 Cb 0.04 -0.23 -0.01 0.00 -0.57 0.00 0.00 32.23 31.47 1mr8 h LYS 56 CO -0.01 0.66 -0.55 1.49 -2.06 0.00 0.00 179.45 178.99 1mr8 h GLU 57 N 1.03 0.55 0.00 3.15 4.81 -0.35 -3.30 114.58 120.47 1mr8 h GLU 57 Ca 0.46 -0.34 -0.21 0.00 -0.13 0.00 0.00 59.36 59.14 1mr8 h GLU 57 Cb 0.36 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1mr8 h GLU 57 CO -0.21 0.95 -1.24 -0.07 -0.73 0.00 0.00 179.01 177.71 1mr8 h LEU 58 N 0.42 0.00 -7.57 1.64 3.38 0.13 -3.40 115.31 109.90 1mr8 h LEU 58 Ca 0.01 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.28 1mr8 h LEU 58 Cb 1.09 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.74 1mr8 h LEU 58 CO 0.10 0.80 2.08 -0.67 0.09 0.00 0.00 178.44 180.85 1mr8 n ASP 59 N -3.11 4.91 -0.02 -0.43 2.03 0.32 -4.82 116.55 115.42 1mr8 n ASP 59 Ca -0.07 -2.94 -0.10 0.00 0.52 0.00 0.00 54.79 52.20 1mr8 n ASP 59 Cb 0.91 -1.68 -0.04 0.00 -0.72 0.00 0.00 41.12 39.59 1mr8 n ASP 59 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1mr8 h ILE 60 N 5.09 1.02 -0.01 5.18 1.08 -1.83 -2.85 117.51 125.21 1mr8 h ILE 60 Ca 0.43 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.83 1mr8 h ILE 60 Cb 0.84 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.41 1mr8 h ILE 60 CO 1.46 0.03 -0.03 -0.46 -0.69 0.00 0.00 178.15 178.47 1mr8 n ASN 61 N -5.00 0.53 -3.75 1.72 6.94 -1.26 -4.95 115.26 109.49 1mr8 n ASN 61 Ca -0.04 -1.00 -0.23 0.00 -0.02 0.00 0.00 54.58 53.29 1mr8 n ASN 61 Cb 0.03 -0.03 0.03 0.00 -2.36 0.00 0.00 39.78 37.45 1mr8 n ASN 61 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1mr8 n THR 62 N -0.67 -4.10 -0.43 5.53 -2.24 -1.08 -4.90 114.28 106.39 1mr8 n THR 62 Ca 0.20 -0.45 0.11 0.00 -2.27 0.00 0.00 64.05 61.64 1mr8 n THR 62 Cb 0.22 -3.58 0.32 0.00 -2.10 0.00 0.00 70.33 65.20 1mr8 n THR 62 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1mr8 n ASP 63 N -3.03 4.12 0.00 3.42 5.68 -1.26 -4.94 116.55 120.54 1mr8 n ASP 63 Ca -0.27 -2.12 0.00 0.00 -0.50 0.00 0.00 54.79 51.90 1mr8 n ASP 63 Cb 0.66 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1mr8 n ASP 63 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mr8 n GLY 64 N 1.44 0.57 3.31 6.12 0.00 -1.26 -5.03 105.19 110.34 1mr8 n GLY 64 Ca 0.24 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 1mr8 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mr8 s ALA 65 N -2.00 -0.21 -0.25 4.61 0.00 -1.26 -4.42 121.76 118.23 1mr8 s ALA 65 Ca 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 1mr8 s ALA 65 Cb 0.00 0.74 0.02 0.00 0.00 0.00 0.00 23.12 23.88 1mr8 s ALA 65 CO 0.00 -0.62 -0.05 0.08 0.00 0.00 0.00 175.76 175.17 1mr8 s VAL 66 N -3.92 3.02 0.61 0.00 1.01 0.75 -4.72 120.40 117.16 1mr8 s VAL 66 Ca 0.12 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 1mr8 s VAL 66 Cb 0.03 -2.51 0.12 0.00 0.00 0.00 0.00 36.38 34.03 1mr8 s VAL 66 CO -0.04 0.23 0.84 -0.46 0.00 0.00 0.00 175.10 175.67 1mr8 n ASN 67 N 4.70 0.97 0.05 3.32 0.23 -1.26 -0.70 115.26 122.57 1mr8 n ASN 67 Ca -0.17 -1.85 -0.11 0.00 -0.53 0.00 0.00 54.58 51.92 1mr8 n ASN 67 Cb 0.48 -0.56 -0.05 0.00 -2.08 0.00 0.00 39.78 37.57 1mr8 n ASN 67 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1mr8 h PHE 68 N -0.69 -0.25 -0.87 -2.53 3.57 -2.00 -0.76 116.94 113.41 1mr8 h PHE 68 Ca -0.28 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.35 1mr8 h PHE 68 Cb 0.98 0.11 -0.08 0.00 2.79 0.00 0.00 35.95 39.75 1mr8 h PHE 68 CO 0.00 -0.15 0.49 1.96 -2.23 0.00 0.00 178.31 178.38 1mr8 h GLN 69 N -0.17 0.75 -0.10 1.11 1.08 -1.97 0.05 115.11 115.86 1mr8 h GLN 69 Ca 0.04 -0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 57.08 1mr8 h GLN 69 Cb 0.22 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 1mr8 h GLN 69 CO -0.10 0.50 -0.43 0.93 -0.95 0.00 0.00 178.83 178.77 1mr8 h GLU 70 N 0.77 0.22 -0.50 1.46 5.08 -1.79 -2.59 114.58 117.24 1mr8 h GLU 70 Ca 0.44 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.60 1mr8 h GLU 70 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1mr8 h GLU 70 CO -0.29 0.62 -0.05 0.35 -1.00 0.00 0.00 179.01 178.63 1mr8 h PHE 71 N 0.18 0.95 -0.09 4.33 3.57 0.44 -2.37 116.94 123.96 1mr8 h PHE 71 Ca 0.01 -0.16 0.03 0.00 3.53 0.00 0.00 57.97 61.38 1mr8 h PHE 71 Cb 0.84 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.33 1mr8 h PHE 71 CO 0.01 0.89 0.12 -0.07 -2.23 0.00 0.00 178.31 177.03 1mr8 h LEU 72 N 0.80 0.00 -0.54 0.59 3.38 -0.66 0.30 115.31 119.17 1mr8 h LEU 72 Ca 0.14 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1mr8 h LEU 72 Cb 0.55 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1mr8 h LEU 72 CO 0.03 0.00 0.03 0.40 0.09 0.00 0.00 178.44 178.99 1mr8 h ILE 73 N 0.00 1.26 -0.62 1.22 2.04 -1.42 -0.81 117.51 119.17 1mr8 h ILE 73 Ca 0.04 -1.07 -0.08 0.00 1.00 0.00 0.00 64.86 64.76 1mr8 h ILE 73 Cb 0.28 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1mr8 h ILE 73 CO -0.00 0.38 0.08 0.25 0.00 0.00 0.00 178.15 178.86 1mr8 h LEU 74 N 0.82 1.01 -0.77 1.44 5.85 -1.04 -0.86 115.31 121.75 1mr8 h LEU 74 Ca 0.16 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1mr8 h LEU 74 Cb 0.50 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1mr8 h LEU 74 CO 0.02 1.03 0.44 0.58 -0.34 0.00 0.00 178.44 180.17 1mr8 h VAL 75 N 0.96 1.23 -0.26 1.05 2.07 -1.14 -0.22 116.25 119.93 1mr8 h VAL 75 Ca 0.19 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1mr8 h VAL 75 Cb 0.46 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1mr8 h VAL 75 CO 0.02 0.25 -0.08 0.40 0.02 0.00 0.00 177.57 178.17 1mr8 h ILE 76 N 1.07 1.29 -0.45 4.57 2.04 -0.88 -1.45 117.51 123.70 1mr8 h ILE 76 Ca 0.27 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 1mr8 h ILE 76 Cb 0.00 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1mr8 h ILE 76 CO -0.05 0.35 0.19 0.11 0.00 0.00 0.00 178.15 178.75 1mr8 h LYS 77 N 0.26 0.63 -0.24 2.37 6.56 -0.93 -0.68 116.57 124.54 1mr8 h LYS 77 Ca 0.06 -0.08 -0.18 0.00 -1.06 0.00 0.00 60.65 59.39 1mr8 h LYS 77 Cb 0.56 -0.12 -0.00 0.00 -0.57 0.00 0.00 32.23 32.10 1mr8 h LYS 77 CO 0.03 0.51 -0.56 0.52 -2.06 0.00 0.00 179.45 177.89 1mr8 h MET 78 N 0.63 0.76 -0.26 3.15 2.86 -0.86 -1.51 114.93 119.71 1mr8 h MET 78 Ca 0.16 -0.49 -0.02 0.00 -2.06 0.00 0.00 59.70 57.29 1mr8 h MET 78 Cb 0.11 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1mr8 h MET 78 CO -0.02 1.11 0.09 0.78 1.06 0.00 0.00 176.91 179.93 1mr8 h GLY 79 N 0.82 0.42 0.99 8.32 0.00 -0.67 0.14 103.07 113.10 1mr8 h GLY 79 Ca 0.01 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.11 1mr8 h GLY 79 CO 0.12 0.23 0.63 -2.08 0.00 0.00 0.00 176.54 175.44 1mr8 h VAL 80 N 0.25 1.24 -0.26 4.60 2.07 -1.10 -0.15 116.25 122.89 1mr8 h VAL 80 Ca 0.08 -0.44 -0.14 0.00 0.82 0.00 0.00 66.70 67.02 1mr8 h VAL 80 Cb 0.22 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1mr8 h VAL 80 CO -0.00 0.23 -0.38 0.00 0.02 0.00 0.00 177.57 177.44 1mr8 h ALA 81 N 1.36 0.40 -0.30 1.67 0.00 -1.04 -2.03 119.26 119.32 1mr8 h ALA 81 Ca 0.35 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1mr8 h ALA 81 Cb -0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1mr8 h ALA 81 CO -0.08 0.48 0.16 0.00 0.00 0.00 0.00 179.25 179.81 1mr8 h ALA 82 N 0.67 0.38 -0.42 0.00 0.00 -0.38 -0.96 119.26 118.55 1mr8 h ALA 82 Ca 0.03 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1mr8 h ALA 82 Cb 0.97 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1mr8 h ALA 82 CO 0.09 -0.09 0.27 1.25 0.00 0.00 0.00 179.25 180.77 1mr8 h HIS 83 N 0.36 0.51 -0.27 0.00 6.17 -1.02 -2.45 115.15 118.45 1mr8 h HIS 83 Ca 0.10 0.01 -0.07 0.00 0.71 0.00 0.00 60.37 61.13 1mr8 h HIS 83 Cb 0.07 -0.17 -0.02 0.00 2.52 0.00 0.00 27.41 29.81 1mr8 h HIS 83 CO -0.03 0.31 -0.14 -0.22 0.71 0.00 0.00 177.93 178.56 1mr8 h LYS 84 N 0.55 0.46 -0.09 5.26 3.64 -1.20 -2.80 116.57 122.39 1mr8 h LYS 84 Ca 0.16 -0.14 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 1mr8 h LYS 84 Cb -0.04 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1mr8 h LYS 84 CO -0.05 0.60 -0.40 0.87 -2.27 0.00 0.00 179.45 178.21 1mr8 h LYS 85 N 0.43 0.19 0.00 1.90 1.57 -0.83 -3.01 116.57 116.81 1mr8 h LYS 85 Ca 0.08 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1mr8 h LYS 85 Cb 0.51 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1mr8 h LYS 85 CO 0.03 0.56 -0.17 0.66 -0.57 0.00 0.00 179.45 179.96 1mr8 h SER 86 N 0.16 0.00 -0.50 0.86 4.64 -1.16 -3.18 113.55 114.36 1mr8 h SER 86 Ca 0.01 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.98 1mr8 h SER 86 Cb 0.78 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.51 1mr8 h SER 86 CO 0.06 0.17 -0.88 0.00 -0.87 0.00 0.00 176.83 175.32 1mr8 n HIS 87 N -4.27 1.75 -4.36 4.77 1.44 -1.19 -5.05 115.22 108.31 1mr8 n HIS 87 Ca -0.02 -1.97 -0.34 0.00 -2.01 0.00 0.00 57.72 53.38 1mr8 n HIS 87 Cb 0.24 -0.28 -0.11 0.00 0.12 0.00 0.00 29.99 29.96 1mr8 n HIS 87 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 1mr8 s GLU 88 N -3.34 3.44 0.00 -1.40 2.56 -1.14 -5.07 118.70 113.75 1mr8 s GLU 88 Ca 0.41 -0.47 0.00 0.00 0.00 0.00 0.00 54.97 54.92 1mr8 s GLU 88 Cb 0.38 -2.89 0.00 0.00 2.00 0.00 0.00 34.13 33.62 1mr8 s GLU 88 CO -0.01 0.41 0.00 0.39 -0.56 0.00 0.00 175.26 175.49 1mr8 n GLU 89 N 3.03 2.40 0.00 4.30 4.71 -1.26 -5.03 120.64 128.79 1mr8 n GLU 89 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.97 1mr8 n GLU 89 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.96 1mr8 n GLU 89 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67