#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mz8 s GLU 2 N 0.00 4.19 -0.41 3.17 0.41 -1.26 -5.03 118.70 119.77 1mz8 s GLU 2 Ca 0.00 0.41 -0.20 0.00 -0.41 0.00 0.00 54.97 54.77 1mz8 s GLU 2 Cb 0.00 -3.56 0.01 0.00 -1.78 0.00 0.00 34.13 28.80 1mz8 s GLU 2 CO 0.00 -0.15 0.62 -0.51 -0.49 0.00 0.00 175.26 174.73 1mz8 s LEU 3 N 1.66 4.42 0.59 1.80 1.43 -1.26 -5.06 118.68 122.26 1mz8 s LEU 3 Ca 0.24 -0.18 -0.09 0.00 -1.03 0.00 0.00 54.13 53.07 1mz8 s LEU 3 Cb -0.15 -2.72 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 1mz8 s LEU 3 CO 0.10 -0.69 0.96 -0.54 0.23 0.00 0.00 176.35 176.41 1mz8 s LYS 4 N 2.73 3.43 0.00 1.70 -0.14 -1.26 -5.00 119.74 121.20 1mz8 s LYS 4 Ca 0.23 0.50 0.27 0.00 -1.36 0.00 0.00 55.97 55.61 1mz8 s LYS 4 Cb -0.14 -2.17 0.85 0.00 -1.68 0.00 0.00 37.83 34.69 1mz8 s LYS 4 CO 0.17 -0.54 1.63 0.27 -0.76 0.00 0.00 175.35 176.12 1mz8 n ASN 5 N -2.64 0.66 -3.88 2.83 6.94 -1.26 -4.90 115.26 113.01 1mz8 n ASN 5 Ca 0.05 -0.53 -0.10 0.00 -0.02 0.00 0.00 54.58 53.97 1mz8 n ASN 5 Cb 0.55 0.06 -0.09 0.00 -2.36 0.00 0.00 39.78 37.94 1mz8 n ASN 5 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1mz8 s SER 6 N -2.66 0.10 0.44 0.53 0.01 -1.26 -4.84 113.70 106.01 1mz8 s SER 6 Ca 0.21 -0.44 0.11 0.00 1.31 0.00 0.00 55.95 57.14 1mz8 s SER 6 Cb 0.19 0.26 1.00 0.00 0.21 0.00 0.00 66.02 67.68 1mz8 s SER 6 CO 0.55 -0.54 2.04 0.40 0.41 0.00 0.00 173.24 176.11 1mz8 h ILE 7 N 3.52 1.00 0.00 1.44 1.08 -1.91 -1.09 117.51 121.55 1mz8 h ILE 7 Ca -0.32 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 1mz8 h ILE 7 Cb 1.19 0.56 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 1mz8 h ILE 7 CO 0.49 0.07 0.00 -1.54 -0.69 0.00 0.00 178.15 176.49 1mz8 n SER 8 N -4.48 0.48 0.01 1.72 3.41 -1.25 -1.57 113.62 111.95 1mz8 n SER 8 Ca 0.05 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 1mz8 n SER 8 Cb 0.19 -0.73 0.27 0.00 -0.26 0.00 0.00 64.21 63.68 1mz8 n SER 8 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1mz8 n ASP 9 N -2.05 0.48 -4.75 4.04 8.00 -0.41 -3.85 116.55 118.01 1mz8 n ASP 9 Ca 0.02 -0.16 -0.35 0.00 0.71 0.00 0.00 54.79 55.00 1mz8 n ASP 9 Cb 0.18 0.20 -0.08 0.00 -0.02 0.00 0.00 41.12 41.40 1mz8 n ASP 9 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1mz8 s TYR 10 N -3.02 3.43 0.76 1.24 2.02 -0.61 -4.86 117.35 116.32 1mz8 s TYR 10 Ca 0.11 0.35 -0.09 0.00 -0.37 0.00 0.00 57.07 57.07 1mz8 s TYR 10 Cb 0.17 -2.13 0.08 0.00 -0.40 0.00 0.00 41.96 39.68 1mz8 s TYR 10 CO 0.69 0.35 1.09 0.95 -1.57 0.00 0.00 175.55 177.06 1mz8 s THR 11 N 0.16 2.15 0.23 -0.71 -4.23 -1.26 0.60 115.64 112.59 1mz8 s THR 11 Ca 0.09 -0.16 -0.07 0.00 -1.18 0.00 0.00 61.69 60.37 1mz8 s THR 11 Cb -0.11 -2.99 0.19 0.00 1.34 0.00 0.00 72.50 70.93 1mz8 s THR 11 CO -0.01 0.00 1.83 -0.33 -0.54 0.00 0.00 174.62 175.57 1mz8 h GLU 12 N -0.82 1.22 -0.80 3.99 5.08 -1.93 -1.92 114.58 119.39 1mz8 h GLU 12 Ca -0.45 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 57.73 1mz8 h GLU 12 Cb 1.32 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 1mz8 h GLU 12 CO 0.61 0.93 0.47 0.00 -1.00 0.00 0.00 179.01 180.02 1mz8 h ALA 13 N 1.25 1.02 -0.08 3.43 0.00 -1.96 0.14 119.26 123.06 1mz8 h ALA 13 Ca 0.29 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1mz8 h ALA 13 Cb 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1mz8 h ALA 13 CO -0.04 0.50 -0.41 0.93 0.00 0.00 0.00 179.25 180.24 1mz8 h GLU 14 N 1.10 0.18 -0.11 0.00 5.08 -1.88 -1.01 114.58 117.95 1mz8 h GLU 14 Ca 0.29 -0.08 -0.22 0.00 -1.00 0.00 0.00 59.36 58.35 1mz8 h GLU 14 Cb -0.02 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.23 1mz8 h GLU 14 CO -0.05 0.56 -0.80 0.35 -1.00 0.00 0.00 179.01 178.07 1mz8 h PHE 15 N 0.15 0.91 -0.89 4.33 3.57 -0.49 -2.16 116.94 122.36 1mz8 h PHE 15 Ca 0.01 -0.41 0.03 0.00 3.53 0.00 0.00 57.97 61.13 1mz8 h PHE 15 Cb 0.79 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 1mz8 h PHE 15 CO 0.01 1.23 0.58 0.28 -2.23 0.00 0.00 178.31 178.18 1mz8 h VAL 16 N 0.44 1.16 -0.92 1.41 2.07 -0.41 -1.30 116.25 118.70 1mz8 h VAL 16 Ca -0.06 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1mz8 h VAL 16 Cb 1.42 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1mz8 h VAL 16 CO 0.16 0.20 0.54 1.56 0.02 0.00 0.00 177.57 180.05 1mz8 h GLN 17 N 1.12 1.26 -0.72 1.57 4.20 -0.83 -0.92 115.11 120.79 1mz8 h GLN 17 Ca 0.35 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 1mz8 h GLN 17 Cb 0.00 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 27.49 1mz8 h GLN 17 CO -0.10 0.89 0.28 1.25 -0.67 0.00 0.00 178.83 180.48 1mz8 h LEU 18 N 1.27 1.00 -1.33 1.46 5.85 -0.66 -1.85 115.31 121.05 1mz8 h LEU 18 Ca 0.33 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1mz8 h LEU 18 Cb -0.03 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 1mz8 h LEU 18 CO -0.06 0.90 0.37 -0.07 -0.34 0.00 0.00 178.44 179.24 1mz8 h LEU 19 N 1.04 0.72 -0.54 2.25 3.38 -0.33 -1.39 115.31 120.43 1mz8 h LEU 19 Ca 0.24 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 1mz8 h LEU 19 Cb 0.22 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1mz8 h LEU 19 CO -0.02 0.56 -0.64 0.11 0.09 0.00 0.00 178.44 178.54 1mz8 h LYS 20 N 0.84 0.00 -0.39 1.13 1.79 -0.87 -1.12 116.57 117.95 1mz8 h LYS 20 Ca 0.22 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.56 1mz8 h LYS 20 Cb -0.03 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 1mz8 h LYS 20 CO -0.04 0.64 -0.28 1.49 -1.08 0.00 0.00 179.45 180.18 1mz8 h GLU 21 N 0.00 0.83 -0.57 3.15 4.57 -0.76 -1.34 114.58 120.46 1mz8 h GLU 21 Ca -0.01 -0.37 -0.07 0.00 -1.18 0.00 0.00 59.36 57.73 1mz8 h GLU 21 Cb 1.24 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.79 1mz8 h GLU 21 CO 0.08 1.00 0.07 0.82 -1.18 0.00 0.00 179.01 179.81 1mz8 h ILE 22 N 0.71 1.26 -0.64 2.32 2.04 -0.95 -1.90 117.51 120.34 1mz8 h ILE 22 Ca 0.08 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 1mz8 h ILE 22 Cb 0.82 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1mz8 h ILE 22 CO 0.07 0.37 0.39 -0.33 0.00 0.00 0.00 178.15 178.64 1mz8 h GLU 23 N 0.84 0.87 -0.48 2.37 5.08 -0.85 -1.08 114.58 121.33 1mz8 h GLU 23 Ca 0.17 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1mz8 h GLU 23 Cb 0.44 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1mz8 h GLU 23 CO 0.02 0.61 0.08 -0.22 -1.00 0.00 0.00 179.01 178.50 1mz8 h LYS 24 N 0.88 0.80 0.00 2.33 3.64 -0.95 -2.94 116.57 120.34 1mz8 h LYS 24 Ca 0.23 -0.21 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1mz8 h LYS 24 Cb -0.03 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1mz8 h LYS 24 CO -0.04 0.80 -0.39 0.93 -2.27 0.00 0.00 179.45 178.47 1mz8 h GLU 25 N 0.67 0.00 -0.80 1.90 4.39 -0.80 -2.73 114.58 117.20 1mz8 h GLU 25 Ca 0.15 0.00 0.15 0.00 0.34 0.00 0.00 59.36 60.00 1mz8 h GLU 25 Cb 0.38 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.98 1mz8 h GLU 25 CO 0.01 0.39 0.53 -0.91 -1.16 0.00 0.00 179.01 177.87 1mz8 h ASN 26 N 0.00 0.45 -0.33 1.42 -0.26 -1.03 -1.92 115.58 113.92 1mz8 h ASN 26 Ca -0.00 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1mz8 h ASN 26 Cb 0.97 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 38.17 1mz8 h ASN 26 CO 0.05 0.23 0.00 1.33 -1.06 0.00 0.00 177.43 177.98 1mz8 n VAL 27 N -4.50 0.42 -1.65 2.81 0.24 -1.04 -4.94 118.33 109.68 1mz8 n VAL 27 Ca 0.16 -0.67 -0.32 0.00 -2.04 0.00 0.00 64.34 61.47 1mz8 n VAL 27 Cb 0.54 0.92 0.05 0.00 -1.47 0.00 0.00 33.84 33.88 1mz8 n VAL 27 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mz8 s ALA 28 N -1.58 2.57 0.33 2.33 0.00 -0.72 -4.94 121.76 119.75 1mz8 s ALA 28 Ca 0.37 0.27 0.06 0.00 0.00 0.00 0.00 51.96 52.66 1mz8 s ALA 28 Cb 0.22 -3.23 0.73 0.00 0.00 0.00 0.00 23.12 20.84 1mz8 s ALA 28 CO 0.31 -1.24 1.86 0.00 0.00 0.00 0.00 175.76 176.69 1mz8 h ALA 29 N -0.41 1.73 -0.68 0.00 0.00 -1.92 -3.43 119.26 114.55 1mz8 h ALA 29 Ca -0.45 0.02 -0.65 0.00 0.00 0.00 0.00 54.91 53.83 1mz8 h ALA 29 Cb 1.22 -0.15 -0.13 0.00 0.00 0.00 0.00 17.79 18.73 1mz8 h ALA 29 CO 0.55 0.03 -0.50 0.95 0.00 0.00 0.00 179.25 180.28 1mz8 s THR 30 N -5.76 0.89 -1.27 0.00 -4.23 -1.26 -5.06 115.64 98.95 1mz8 s THR 30 Ca -0.11 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.55 1mz8 s THR 30 Cb 0.22 -2.15 0.40 0.00 1.34 0.00 0.00 72.50 72.32 1mz8 s THR 30 CO 0.79 0.00 1.33 0.47 -0.54 0.00 0.00 174.62 176.68 1mz8 n ASP 31 N -1.34 3.22 -0.05 3.99 8.00 -1.26 -4.74 116.55 124.37 1mz8 n ASP 31 Ca -0.16 -1.99 -0.08 0.00 0.71 0.00 0.00 54.79 53.27 1mz8 n ASP 31 Cb 0.66 -0.30 -0.02 0.00 -0.02 0.00 0.00 41.12 41.44 1mz8 n ASP 31 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1mz8 h ASP 32 N 2.74 -0.66 0.04 -2.24 3.32 -1.97 -0.73 116.42 116.93 1mz8 h ASP 32 Ca 0.00 0.13 -0.27 0.00 0.02 0.00 0.00 57.03 56.90 1mz8 h ASP 32 Cb 0.81 0.32 0.02 0.00 0.22 0.00 0.00 39.33 40.70 1mz8 h ASP 32 CO 0.00 -0.24 -1.10 0.58 -1.72 0.00 0.00 179.24 176.76 1mz8 h VAL 33 N -0.21 1.29 -0.55 -1.35 2.07 -1.96 -3.29 116.25 112.24 1mz8 h VAL 33 Ca 0.13 -2.31 0.11 0.00 0.82 0.00 0.00 66.70 65.45 1mz8 h VAL 33 Cb 0.41 2.51 -0.10 0.00 -1.52 0.00 0.00 31.29 32.59 1mz8 h VAL 33 CO -0.36 0.71 -0.10 0.25 0.02 0.00 0.00 177.57 178.09 1mz8 h LEU 34 N 0.33 -0.44 -1.94 2.57 5.85 -1.82 -1.83 115.31 118.04 1mz8 h LEU 34 Ca -0.15 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1mz8 h LEU 34 Cb 1.76 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 43.10 1mz8 h LEU 34 CO 0.21 -0.16 -0.11 0.44 -0.34 0.00 0.00 178.44 178.48 1mz8 h ASP 35 N 0.03 0.00 0.01 1.25 3.32 -1.20 0.35 116.42 120.18 1mz8 h ASP 35 Ca 0.27 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.09 1mz8 h ASP 35 Cb 0.42 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.99 1mz8 h ASP 35 CO -0.54 0.11 -0.90 0.58 -1.72 0.00 0.00 179.24 176.77 1mz8 h VAL 36 N 0.00 1.34 -0.72 -1.35 2.07 -1.49 -1.28 116.25 114.81 1mz8 h VAL 36 Ca -0.00 -2.21 -0.04 0.00 0.82 0.00 0.00 66.70 65.27 1mz8 h VAL 36 Cb 0.25 2.51 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 1mz8 h VAL 36 CO 0.01 0.67 0.29 -0.07 0.02 0.00 0.00 177.57 178.49 1mz8 h LEU 37 N 0.18 0.98 -0.46 2.57 3.38 -0.51 -1.40 115.31 120.05 1mz8 h LEU 37 Ca -0.12 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 1mz8 h LEU 37 Cb 1.58 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1mz8 h LEU 37 CO 0.18 0.87 -0.11 -0.07 0.09 0.00 0.00 178.44 179.40 1mz8 h LEU 38 N 1.04 0.89 -0.85 1.67 3.38 -0.92 -0.36 115.31 120.17 1mz8 h LEU 38 Ca 0.24 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1mz8 h LEU 38 Cb 0.20 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1mz8 h LEU 38 CO -0.02 1.05 0.56 -0.33 0.09 0.00 0.00 178.44 179.79 1mz8 h GLU 39 N 0.73 1.12 -0.19 1.13 5.08 -0.96 -0.08 114.58 121.40 1mz8 h GLU 39 Ca 0.12 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1mz8 h GLU 39 Cb 0.65 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1mz8 h GLU 39 CO 0.04 0.74 0.11 1.25 -1.00 0.00 0.00 179.01 180.15 1mz8 h HIS 40 N 1.15 0.26 -0.54 4.33 2.76 -0.89 0.07 115.15 122.28 1mz8 h HIS 40 Ca 0.31 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.57 1mz8 h HIS 40 Cb -0.13 -0.08 -0.07 0.00 1.55 0.00 0.00 27.41 28.68 1mz8 h HIS 40 CO -0.01 0.23 0.16 0.35 -1.30 0.00 0.00 177.93 177.36 1mz8 h PHE 41 N 0.21 0.27 -0.39 5.26 3.04 -0.68 -1.09 116.94 123.56 1mz8 h PHE 41 Ca 0.07 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.98 1mz8 h PHE 41 Cb 0.05 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.51 1mz8 h PHE 41 CO -0.04 0.05 -0.03 0.28 -2.02 0.00 0.00 178.31 176.54 1mz8 h VAL 42 N 0.32 1.27 -0.03 1.41 2.07 -0.73 -1.97 116.25 118.58 1mz8 h VAL 42 Ca 0.27 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1mz8 h VAL 42 Cb 0.35 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1mz8 h VAL 42 CO -0.31 0.36 0.02 0.50 0.02 0.00 0.00 177.57 178.15 1mz8 h LYS 43 N 0.53 0.05 0.00 1.57 3.64 -0.51 -2.45 116.57 119.39 1mz8 h LYS 43 Ca 0.11 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.33 1mz8 h LYS 43 Cb 0.52 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1mz8 h LYS 43 CO 0.03 0.13 -0.70 -0.84 -2.27 0.00 0.00 179.45 175.79 1mz8 h ILE 44 N -0.05 1.34 -0.00 2.00 3.07 -1.22 -3.27 117.51 119.37 1mz8 h ILE 44 Ca 0.01 -2.53 -0.24 0.00 1.55 0.00 0.00 64.86 63.65 1mz8 h ILE 44 Cb 0.09 2.43 0.01 0.00 -0.27 0.00 0.00 36.82 39.08 1mz8 h ILE 44 CO -0.00 0.68 -0.96 0.71 -1.05 0.00 0.00 178.15 177.53 1mz8 h THR 45 N 0.00 1.37 -0.22 0.16 1.35 -1.35 -3.37 112.91 110.85 1mz8 h THR 45 Ca -0.01 -2.40 -0.10 0.00 -0.55 0.00 0.00 66.41 63.36 1mz8 h THR 45 Cb 1.37 2.41 -0.04 0.00 -1.73 0.00 0.00 68.15 70.16 1mz8 h THR 45 CO 0.09 0.72 -0.09 -0.62 -0.25 0.00 0.00 175.52 175.38 1mz8 n GLU 46 N -3.77 -1.07 -2.51 4.72 1.02 -0.92 -4.98 120.64 113.13 1mz8 n GLU 46 Ca -0.08 0.54 -0.42 0.00 -0.02 0.00 0.00 57.16 57.18 1mz8 n GLU 46 Cb 0.85 -4.48 -0.03 0.00 -0.02 0.00 0.00 31.44 27.75 1mz8 n GLU 46 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1mz8 s HIS 47 N -1.80 3.52 0.58 -0.32 2.46 -1.26 -4.92 115.29 113.55 1mz8 s HIS 47 Ca 0.00 1.45 0.28 0.00 0.47 0.00 0.00 55.06 57.26 1mz8 s HIS 47 Cb 0.00 -3.32 1.57 0.00 -0.13 0.00 0.00 32.58 30.70 1mz8 s HIS 47 CO 0.00 -0.85 2.03 -1.00 -2.47 0.00 0.00 174.74 172.44 1mz8 h PRO 48 N 6.55 0.00 -0.01 2.88 0.13 -1.97 0.45 132.00 140.03 1mz8 h PRO 48 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1mz8 h PRO 48 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1mz8 h PRO 48 CO 0.78 0.00 -0.12 -0.25 -0.23 0.00 0.00 178.00 178.19 1mz8 n ASP 49 N -3.84 0.78 0.00 1.44 8.00 -1.26 -4.98 116.55 116.69 1mz8 n ASP 49 Ca 0.04 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.67 1mz8 n ASP 49 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1mz8 n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mz8 n GLY 50 N 1.25 2.85 0.10 0.44 0.00 0.14 -0.98 105.19 108.99 1mz8 n GLY 50 Ca 0.16 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.33 1mz8 n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mz8 n THR 51 N 0.00 1.30 0.28 2.61 -2.24 -1.26 -2.01 114.28 112.96 1mz8 n THR 51 Ca 0.00 0.58 0.12 0.00 -2.27 0.00 0.00 64.05 62.48 1mz8 n THR 51 Cb 0.00 -1.56 0.79 0.00 -2.10 0.00 0.00 70.33 67.46 1mz8 n THR 51 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1mz8 h ASP 52 N 0.00 0.00 0.06 3.42 3.32 -1.42 -1.12 116.42 120.67 1mz8 h ASP 52 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1mz8 h ASP 52 Cb 0.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1mz8 h ASP 52 CO 0.00 0.02 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.38 1mz8 h LEU 53 N 0.00 0.06 0.01 1.55 3.38 -1.59 0.44 115.31 119.17 1mz8 h LEU 53 Ca -0.00 -0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.71 1mz8 h LEU 53 Cb 0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1mz8 h LEU 53 CO 0.00 0.16 -1.39 -0.38 0.09 0.00 0.00 178.44 176.92 1mz8 n ILE 54 N -4.40 1.56 0.25 1.22 5.41 -0.54 -4.37 119.36 118.50 1mz8 n ILE 54 Ca -0.02 -0.10 0.11 0.00 1.00 0.00 0.00 62.75 63.74 1mz8 n ILE 54 Cb 0.18 -2.00 0.00 0.00 -0.71 0.00 0.00 39.64 37.11 1mz8 n ILE 54 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1mz8 n TYR 55 N -4.33 0.63 -3.14 1.39 4.01 -0.56 -4.49 117.16 110.68 1mz8 n TYR 55 Ca -0.33 0.18 -0.21 0.00 -0.16 0.00 0.00 57.90 57.38 1mz8 n TYR 55 Cb 0.73 -0.74 -0.04 0.00 -0.31 0.00 0.00 39.34 38.98 1mz8 n TYR 55 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1mz8 n TYR 56 N -2.39 1.13 -2.03 -0.72 4.01 0.15 -5.04 117.16 112.28 1mz8 n TYR 56 Ca 0.00 -3.85 -0.37 0.00 -0.16 0.00 0.00 57.90 53.53 1mz8 n TYR 56 Cb 0.51 -0.43 0.02 0.00 -0.31 0.00 0.00 39.34 39.13 1mz8 n TYR 56 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1mz8 s PRO 57 N -2.53 3.31 0.52 -0.72 0.04 -1.19 -4.64 135.00 129.79 1mz8 s PRO 57 Ca 0.41 1.94 -0.20 0.00 0.04 0.00 0.00 61.00 63.19 1mz8 s PRO 57 Cb 0.31 -2.21 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 1mz8 s PRO 57 CO -0.09 -0.96 1.14 -1.12 0.04 0.00 0.00 177.00 176.01 1mz8 s SER 58 N -1.30 5.81 0.54 6.66 0.01 -1.26 -4.91 113.70 119.25 1mz8 s SER 58 Ca 0.70 2.23 0.35 0.00 1.31 0.00 0.00 55.95 60.54 1mz8 s SER 58 Cb -0.33 -2.59 1.66 0.00 0.21 0.00 0.00 66.02 64.97 1mz8 s SER 58 CO 0.38 -1.16 2.06 0.44 0.41 0.00 0.00 173.24 175.37 1mz8 h ASP 59 N 1.40 0.00 -0.03 2.44 3.32 -2.00 -2.89 116.42 118.66 1mz8 h ASP 59 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1mz8 h ASP 59 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1mz8 h ASP 59 CO 0.58 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.64 1mz8 n ASN 60 N -2.92 0.22 -4.06 6.45 6.94 -1.26 -4.83 115.26 115.79 1mz8 n ASN 60 Ca -0.01 -1.58 -0.10 0.00 -0.02 0.00 0.00 54.58 52.87 1mz8 n ASN 60 Cb 0.20 -0.02 -0.08 0.00 -2.36 0.00 0.00 39.78 37.52 1mz8 n ASN 60 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1mz8 s ARG 61 N -1.97 1.16 0.26 -3.83 1.70 -1.09 -5.14 118.95 110.04 1mz8 s ARG 61 Ca 0.22 -1.34 -0.30 0.00 -0.47 0.00 0.00 55.73 53.85 1mz8 s ARG 61 Cb 0.11 0.33 -0.09 0.00 -0.57 0.00 0.00 34.95 34.73 1mz8 s ARG 61 CO 0.17 -0.40 1.08 -0.51 -1.08 0.00 0.00 175.30 174.56 1mz8 s ASP 62 N -3.03 7.31 -1.18 -2.89 1.01 -1.26 -4.79 116.67 111.84 1mz8 s ASP 62 Ca 0.24 2.21 -0.17 0.00 0.71 0.00 0.00 52.55 55.54 1mz8 s ASP 62 Cb 0.05 -2.62 0.12 0.00 1.01 0.00 0.00 42.92 41.48 1mz8 s ASP 62 CO 0.04 -0.12 1.49 -0.62 0.21 0.00 0.00 175.17 176.17 1mz8 s ASP 63 N -0.81 6.89 0.21 0.27 2.15 -1.26 -4.16 116.67 119.96 1mz8 s ASP 63 Ca 0.45 -2.57 -0.21 0.00 0.43 0.00 0.00 52.55 50.65 1mz8 s ASP 63 Cb -0.31 -2.47 0.04 0.00 -0.30 0.00 0.00 42.92 39.88 1mz8 s ASP 63 CO 0.39 -0.98 0.62 -0.94 -0.17 0.00 0.00 175.17 174.09 1mz8 s SER 64 N 3.55 -0.38 0.33 -0.34 1.04 -1.26 -4.99 113.70 111.65 1mz8 s SER 64 Ca 0.45 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.57 1mz8 s SER 64 Cb -0.01 0.64 0.62 0.00 0.10 0.00 0.00 66.02 67.37 1mz8 s SER 64 CO 0.00 -1.12 1.94 -0.65 0.98 0.00 0.00 173.24 174.39 1mz8 h PRO 65 N 2.06 0.88 -0.56 4.02 0.11 -1.98 0.13 132.00 136.65 1mz8 h PRO 65 Ca -0.28 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.69 1mz8 h PRO 65 Cb 1.28 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1mz8 h PRO 65 CO 0.33 0.58 -0.02 0.93 -0.21 0.00 0.00 178.00 179.61 1mz8 h GLU 66 N 0.91 1.01 -0.35 1.05 3.07 -1.96 -1.41 114.58 116.90 1mz8 h GLU 66 Ca 0.34 -0.33 -0.07 0.00 -0.50 0.00 0.00 59.36 58.80 1mz8 h GLU 66 Cb 0.19 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1mz8 h GLU 66 CO -0.12 1.01 -0.10 0.78 -1.40 0.00 0.00 179.01 179.19 1mz8 h GLY 67 N 0.89 0.64 0.81 -3.84 0.00 -1.45 -0.76 103.07 99.36 1mz8 h GLY 67 Ca 0.16 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 1mz8 h GLY 67 CO 0.03 0.41 -0.17 -2.22 0.00 0.00 0.00 176.54 174.60 1mz8 h ILE 68 N 0.55 1.33 -0.81 2.60 2.04 -0.78 -1.81 117.51 120.62 1mz8 h ILE 68 Ca 0.10 -1.31 -0.03 0.00 1.00 0.00 0.00 64.86 64.63 1mz8 h ILE 68 Cb 0.49 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.29 1mz8 h ILE 68 CO 0.03 0.40 0.40 0.58 0.00 0.00 0.00 178.15 179.56 1mz8 h VAL 69 N 0.12 1.25 -0.28 1.67 2.07 -1.16 -1.26 116.25 118.66 1mz8 h VAL 69 Ca 0.03 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 1mz8 h VAL 69 Cb 0.70 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1mz8 h VAL 69 CO 0.04 0.30 0.07 0.50 0.02 0.00 0.00 177.57 178.50 1mz8 h LYS 70 N 1.15 0.44 -0.57 1.57 3.64 -1.04 -0.80 116.57 120.97 1mz8 h LYS 70 Ca 0.28 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1mz8 h LYS 70 Cb 0.10 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1mz8 h LYS 70 CO -0.04 0.53 0.36 1.49 -2.27 0.00 0.00 179.45 179.52 1mz8 h GLU 71 N 0.28 0.76 -0.10 1.90 4.81 -1.14 -0.99 114.58 120.10 1mz8 h GLU 71 Ca 0.09 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1mz8 h GLU 71 Cb 0.28 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1mz8 h GLU 71 CO 0.00 0.53 -0.04 0.82 -0.73 0.00 0.00 179.01 179.59 1mz8 h ILE 72 N 0.77 0.86 -0.74 2.32 2.04 -1.07 0.39 117.51 122.09 1mz8 h ILE 72 Ca 0.21 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.11 1mz8 h ILE 72 Cb -0.05 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 1mz8 h ILE 72 CO -0.04 0.00 0.45 0.50 0.00 0.00 0.00 178.15 179.05 1mz8 h LYS 73 N -0.02 0.82 -0.32 2.37 3.64 -0.88 0.11 116.57 122.28 1mz8 h LYS 73 Ca 0.05 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 1mz8 h LYS 73 Cb 0.10 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1mz8 h LYS 73 CO -0.12 0.54 -0.42 0.93 -2.27 0.00 0.00 179.45 178.11 1mz8 h GLU 74 N 0.84 0.81 -0.24 1.90 5.08 -0.81 -1.20 114.58 120.96 1mz8 h GLU 74 Ca 0.31 -0.44 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 1mz8 h GLU 74 Cb 0.11 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1mz8 h GLU 74 CO -0.15 1.07 -0.19 2.35 -1.00 0.00 0.00 179.01 181.10 1mz8 h TRP 75 N 0.66 0.66 -0.59 4.33 7.01 -0.60 -0.83 115.95 126.58 1mz8 h TRP 75 Ca 0.05 -0.18 -0.03 0.00 2.11 0.00 0.00 58.89 60.83 1mz8 h TRP 75 Cb 0.99 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.88 1mz8 h TRP 75 CO 0.06 0.86 0.24 0.00 -2.79 0.00 0.00 178.44 176.80 1mz8 h ARG 76 N 0.27 0.88 -0.53 2.65 3.08 -0.73 -1.86 114.38 118.14 1mz8 h ARG 76 Ca 0.05 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 1mz8 h ARG 76 Cb 0.72 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1mz8 h ARG 76 CO 0.05 0.75 0.07 0.00 -1.07 0.00 0.00 179.97 179.77 1mz8 h ALA 77 N 1.09 0.70 0.00 0.04 0.00 -1.18 0.76 119.26 120.66 1mz8 h ALA 77 Ca 0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1mz8 h ALA 77 Cb 0.20 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1mz8 h ALA 77 CO -0.02 0.46 -0.07 0.00 0.00 0.00 0.00 179.25 179.61 1mz8 h ALA 78 N 0.98 1.51 -0.56 0.00 0.00 -0.90 -1.94 119.26 118.34 1mz8 h ALA 78 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1mz8 h ALA 78 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1mz8 h ALA 78 CO 0.01 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.45 1mz8 n ASN 79 N -3.91 4.91 -2.69 0.00 3.02 -0.72 -4.96 115.26 110.91 1mz8 n ASN 79 Ca -0.02 -2.66 -0.19 0.00 -0.03 0.00 0.00 54.58 51.67 1mz8 n ASN 79 Cb 0.17 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 1mz8 n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mz8 n GLY 80 N 0.73 -0.50 3.92 7.41 0.00 -0.73 -4.98 105.19 111.02 1mz8 n GLY 80 Ca 0.25 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 1mz8 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mz8 s LYS 81 N -5.33 3.41 0.34 1.61 1.02 0.21 -5.02 119.74 115.97 1mz8 s LYS 81 Ca 0.13 -0.47 -0.28 0.00 0.02 0.00 0.00 55.97 55.36 1mz8 s LYS 81 Cb -0.06 -3.02 -0.12 0.00 -0.52 0.00 0.00 37.83 34.11 1mz8 s LYS 81 CO 0.16 0.60 1.35 -0.35 -0.92 0.00 0.00 175.35 176.18 1mz8 n PRO 82 N 0.21 2.24 -0.31 -1.68 -0.04 -1.26 -4.34 135.00 129.81 1mz8 n PRO 82 Ca -0.05 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 1mz8 n PRO 82 Cb 0.51 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1mz8 n PRO 82 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mz8 n GLY 83 N 0.89 1.72 3.75 0.55 0.00 -1.26 -4.72 105.19 106.11 1mz8 n GLY 83 Ca 0.05 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 1mz8 n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mz8 s PHE 84 N 1.52 2.30 0.09 1.61 0.08 -1.26 -3.77 117.98 118.55 1mz8 s PHE 84 Ca 0.00 1.54 -0.31 0.00 0.12 0.00 0.00 56.93 58.28 1mz8 s PHE 84 Cb 0.00 -3.46 -0.09 0.00 -0.57 0.00 0.00 43.02 38.90 1mz8 s PHE 84 CO 0.00 -2.30 1.75 0.21 -0.10 0.00 0.00 175.22 174.78 1mz8 s LYS 85 N -3.58 4.16 -0.13 0.44 2.20 0.20 -4.85 119.74 118.18 1mz8 s LYS 85 Ca 0.76 2.47 0.01 0.00 -0.36 0.00 0.00 55.97 58.85 1mz8 s LYS 85 Cb -0.29 -3.63 0.18 0.00 -1.51 0.00 0.00 37.83 32.58 1mz8 s LYS 85 CO 0.38 -0.80 1.35 1.04 -0.36 0.00 0.00 175.35 176.96 1mz8 n GLN 86 N 5.75 1.36 0.00 4.03 1.13 -1.26 -4.28 117.38 124.11 1mz8 n GLN 86 Ca 0.17 -0.84 0.00 0.00 -1.94 0.00 0.00 57.00 54.39 1mz8 n GLN 86 Cb 0.39 -1.33 0.00 0.00 0.11 0.00 0.00 30.24 29.41 1mz8 n GLN 86 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03