#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 -0.53 3.17 0.41 -1.26 -5.03 118.70 119.65 1mz8 s GLU 2 Ca 0.00 0.27 -0.21 0.00 -0.41 0.00 0.00 54.97 54.63 1mz8 s GLU 2 Cb 0.00 -3.54 0.06 0.00 -1.78 0.00 0.00 34.13 28.87 1mz8 s GLU 2 CO 0.00 -0.05 0.73 -0.51 -0.49 0.00 0.00 175.26 174.93 1mz8 s LEU 3 N 1.34 4.74 0.50 1.80 1.43 -1.26 -5.05 118.68 122.18 1mz8 s LEU 3 Ca 0.21 -0.80 -0.17 0.00 -1.03 0.00 0.00 54.13 52.34 1mz8 s LEU 3 Cb -0.15 -2.54 -0.08 0.00 0.03 0.00 0.00 46.19 43.45 1mz8 s LEU 3 CO 0.09 -1.02 0.97 -0.54 0.23 0.00 0.00 176.35 176.08 1mz8 s LYS 4 N 3.04 3.98 0.02 1.70 1.02 -1.26 -4.98 119.74 123.25 1mz8 s LYS 4 Ca 0.19 0.95 0.23 0.00 0.02 0.00 0.00 55.97 57.36 1mz8 s LYS 4 Cb -0.18 -2.15 0.97 0.00 -0.52 0.00 0.00 37.83 35.95 1mz8 s LYS 4 CO 0.13 -0.23 1.73 0.27 -0.92 0.00 0.00 175.35 176.34 1mz8 n ASN 5 N -1.45 0.07 -3.62 2.83 2.04 -1.26 -4.86 115.26 109.00 1mz8 n ASN 5 Ca 0.06 0.51 -0.12 0.00 -0.44 0.00 0.00 54.58 54.60 1mz8 n ASN 5 Cb 0.54 -0.53 -0.05 0.00 -2.53 0.00 0.00 39.78 37.21 1mz8 n ASN 5 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1mz8 s SER 6 N -3.13 -0.30 0.36 0.53 1.04 -1.26 -4.87 113.70 106.07 1mz8 s SER 6 Ca 0.11 -0.13 0.06 0.00 0.48 0.00 0.00 55.95 56.46 1mz8 s SER 6 Cb 0.15 0.47 0.74 0.00 0.10 0.00 0.00 66.02 67.48 1mz8 s SER 6 CO 0.42 -0.79 1.95 -0.29 0.98 0.00 0.00 173.24 175.52 1mz8 h ILE 7 N 2.59 1.01 0.00 -1.02 6.09 -1.89 -0.24 117.51 124.05 1mz8 h ILE 7 Ca -0.33 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 62.90 1mz8 h ILE 7 Cb 1.24 0.19 0.00 0.00 0.47 0.00 0.00 36.82 38.72 1mz8 h ILE 7 CO 0.45 0.14 0.00 -1.54 -3.07 0.00 0.00 178.15 174.12 1mz8 n SER 8 N -4.48 0.00 0.04 2.19 3.41 -1.24 -1.77 113.62 111.77 1mz8 n SER 8 Ca 0.11 0.39 0.12 0.00 -0.26 0.00 0.00 58.87 59.23 1mz8 n SER 8 Cb 0.24 -0.44 0.09 0.00 -0.26 0.00 0.00 64.21 63.84 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 -1.44 0.65 -4.83 4.04 8.00 -0.10 -3.73 116.55 119.14 1mz8 n ASP 9 Ca 0.04 -0.05 -0.37 0.00 0.71 0.00 0.00 54.79 55.12 1mz8 n ASP 9 Cb 0.13 0.50 -0.07 0.00 -0.02 0.00 0.00 41.12 41.66 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 -3.18 3.55 0.65 1.24 2.02 -0.73 -4.82 117.35 116.08 1mz8 s TYR 10 Ca 0.05 0.54 -0.06 0.00 -0.37 0.00 0.00 57.07 57.22 1mz8 s TYR 10 Cb 0.14 -2.07 0.03 0.00 -0.40 0.00 0.00 41.96 39.67 1mz8 s TYR 10 CO 0.76 0.58 0.97 0.95 -1.57 0.00 0.00 175.55 177.23 1mz8 s THR 11 N -0.56 2.96 0.31 -0.71 -4.23 -1.26 0.84 115.64 112.98 1mz8 s THR 11 Ca 0.14 -0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 60.53 1mz8 s THR 11 Cb -0.12 -3.23 0.23 0.00 1.34 0.00 0.00 72.50 70.72 1mz8 s THR 11 CO 0.03 -0.24 1.94 -0.33 -0.54 0.00 0.00 174.62 175.48 1mz8 h GLU 12 N -0.40 0.95 -0.58 3.99 5.08 -1.93 -1.29 114.58 120.40 1mz8 h GLU 12 Ca -0.45 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1mz8 h GLU 12 Cb 1.29 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 1mz8 h GLU 12 CO 0.61 0.69 0.35 0.00 -1.00 0.00 0.00 179.01 179.65 1mz8 h ALA 13 N 1.47 0.73 -0.43 3.43 0.00 -1.95 0.43 119.26 122.94 1mz8 h ALA 13 Ca 0.25 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1mz8 h ALA 13 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1mz8 h ALA 13 CO -0.04 0.21 0.01 0.93 0.00 0.00 0.00 179.25 180.36 1mz8 h GLU 14 N 0.78 0.69 -0.17 0.00 5.08 -1.79 -1.48 114.58 117.69 1mz8 h GLU 14 Ca 0.21 -0.17 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 1mz8 h GLU 14 Cb -0.02 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1mz8 h GLU 14 CO -0.04 0.70 -0.47 0.35 -1.00 0.00 0.00 179.01 178.55 1mz8 h PHE 15 N 0.66 0.53 -0.37 4.33 3.57 -0.51 -2.07 116.94 123.08 1mz8 h PHE 15 Ca 0.13 -0.17 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 1mz8 h PHE 15 Cb 0.40 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1mz8 h PHE 15 CO 0.02 0.83 -0.05 0.28 -2.23 0.00 0.00 178.31 177.16 1mz8 h VAL 16 N 0.35 1.22 -0.60 1.41 2.07 -0.28 -2.11 116.25 118.31 1mz8 h VAL 16 Ca 0.02 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.55 1mz8 h VAL 16 Cb 0.96 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1mz8 h VAL 16 CO 0.08 0.32 0.20 1.56 0.02 0.00 0.00 177.57 179.75 1mz8 h GLN 17 N 0.57 0.90 -0.55 1.57 4.20 -0.62 -1.02 115.11 120.16 1mz8 h GLN 17 Ca 0.11 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 1mz8 h GLN 17 Cb 0.43 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1mz8 h GLN 17 CO 0.02 0.77 0.11 1.25 -0.67 0.00 0.00 178.83 180.31 1mz8 h LEU 18 N 0.88 0.85 -1.64 1.46 5.85 -0.98 -1.44 115.31 120.29 1mz8 h LEU 18 Ca 0.20 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1mz8 h LEU 18 Cb 0.24 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1mz8 h LEU 18 CO -0.01 0.88 0.02 -0.07 -0.34 0.00 0.00 178.44 178.92 1mz8 h LEU 19 N 0.79 0.22 -0.16 2.25 3.38 -0.72 -0.95 115.31 120.12 1mz8 h LEU 19 Ca 0.17 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 1mz8 h LEU 19 Cb 0.37 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1mz8 h LEU 19 CO 0.01 0.25 -0.72 0.11 0.09 0.00 0.00 178.44 178.18 1mz8 h LYS 20 N 0.25 0.00 -0.36 1.13 1.79 -0.78 -0.57 116.57 118.03 1mz8 h LYS 20 Ca 0.06 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.44 1mz8 h LYS 20 Cb 0.13 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1mz8 h LYS 20 CO -0.00 0.72 -0.11 1.49 -1.08 0.00 0.00 179.45 180.47 1mz8 h GLU 21 N 0.00 0.71 -0.71 3.15 4.57 -0.77 -0.58 114.58 120.94 1mz8 h GLU 21 Ca -0.01 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 57.87 1mz8 h GLU 21 Cb 1.48 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 30.00 1mz8 h GLU 21 CO 0.09 0.88 0.37 0.82 -1.18 0.00 0.00 179.01 180.00 1mz8 h ILE 22 N 0.50 1.23 -0.26 2.32 2.04 -1.03 0.01 117.51 122.33 1mz8 h ILE 22 Ca 0.09 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 1mz8 h ILE 22 Cb 0.64 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1mz8 h ILE 22 CO 0.04 0.25 -0.04 -0.33 0.00 0.00 0.00 178.15 178.08 1mz8 h GLU 23 N 0.99 0.40 -0.44 2.37 5.08 -0.69 -1.20 114.58 121.08 1mz8 h GLU 23 Ca 0.25 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 1mz8 h GLU 23 Cb 0.07 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1mz8 h GLU 23 CO -0.04 0.46 -0.19 -0.22 -1.00 0.00 0.00 179.01 178.02 1mz8 h LYS 24 N 0.38 0.91 0.00 2.33 3.11 -0.39 -2.98 116.57 119.93 1mz8 h LYS 24 Ca 0.08 -0.39 -0.04 0.00 -2.81 0.00 0.00 60.65 57.49 1mz8 h LYS 24 Cb 0.32 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.51 1mz8 h LYS 24 CO 0.01 1.04 -0.20 0.93 -2.81 0.00 0.00 179.45 178.43 1mz8 h GLU 25 N 0.74 0.00 -0.79 1.90 4.39 -0.44 -2.66 114.58 117.72 1mz8 h GLU 25 Ca 0.10 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.89 1mz8 h GLU 25 Cb 0.76 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.35 1mz8 h GLU 25 CO 0.06 0.20 0.51 -0.91 -1.16 0.00 0.00 179.01 177.71 1mz8 h ASN 26 N 0.00 0.67 -0.45 1.42 2.35 -1.08 -2.02 115.58 116.49 1mz8 h ASN 26 Ca -0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1mz8 h ASN 26 Cb 0.84 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.09 1mz8 h ASN 26 CO 0.03 0.41 0.00 1.33 -1.65 0.00 0.00 177.43 177.55 1mz8 n VAL 27 N -4.50 0.59 -1.59 2.81 0.24 -1.01 -4.94 118.33 109.93 1mz8 n VAL 27 Ca 0.13 -0.68 -0.31 0.00 -2.04 0.00 0.00 64.34 61.44 1mz8 n VAL 27 Cb 0.30 0.54 0.06 0.00 -1.47 0.00 0.00 33.84 33.27 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 -1.41 2.59 0.35 2.33 0.00 -0.76 -4.93 121.76 119.92 1mz8 s ALA 28 Ca 0.37 -0.02 0.07 0.00 0.00 0.00 0.00 51.96 52.39 1mz8 s ALA 28 Cb 0.20 -3.15 0.76 0.00 0.00 0.00 0.00 23.12 20.93 1mz8 s ALA 28 CO 0.27 -1.33 1.89 0.00 0.00 0.00 0.00 175.76 176.59 1mz8 h ALA 29 N -0.80 1.76 -1.48 0.00 0.00 -1.92 -3.43 119.26 113.39 1mz8 h ALA 29 Ca -0.45 0.01 -0.57 0.00 0.00 0.00 0.00 54.91 53.90 1mz8 h ALA 29 Cb 1.23 -0.15 -0.13 0.00 0.00 0.00 0.00 17.79 18.73 1mz8 h ALA 29 CO 0.58 0.03 -0.55 0.95 0.00 0.00 0.00 179.25 180.25 1mz8 s THR 30 N -5.72 1.05 -1.74 0.00 -4.23 -1.26 -5.06 115.64 98.68 1mz8 s THR 30 Ca -0.10 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.60 1mz8 s THR 30 Cb 0.21 -2.51 0.52 0.00 1.34 0.00 0.00 72.50 72.06 1mz8 s THR 30 CO 0.79 0.00 1.43 0.47 -0.54 0.00 0.00 174.62 176.77 1mz8 n ASP 31 N -1.08 3.59 -0.04 3.99 8.00 -1.26 -4.73 116.55 125.02 1mz8 n ASP 31 Ca -0.08 -1.99 -0.08 0.00 0.71 0.00 0.00 54.79 53.36 1mz8 n ASP 31 Cb 0.66 -0.38 -0.02 0.00 -0.02 0.00 0.00 41.12 41.36 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 3.68 -0.29 0.32 -2.24 5.19 -1.97 -1.00 116.42 120.11 1mz8 h ASP 32 Ca 0.00 0.08 -0.30 0.00 -0.62 0.00 0.00 57.03 56.19 1mz8 h ASP 32 Cb 0.91 0.17 0.02 0.00 0.18 0.00 0.00 39.33 40.61 1mz8 h ASP 32 CO 0.00 -0.11 -1.28 0.58 -3.12 0.00 0.00 179.24 175.31 1mz8 h VAL 33 N -0.05 1.35 -0.45 -1.35 2.07 -1.96 -3.29 116.25 112.56 1mz8 h VAL 33 Ca 0.11 -2.68 0.08 0.00 0.82 0.00 0.00 66.70 65.04 1mz8 h VAL 33 Cb 0.21 2.82 -0.07 0.00 -1.52 0.00 0.00 31.29 32.74 1mz8 h VAL 33 CO -0.25 0.80 0.04 0.25 0.02 0.00 0.00 177.57 178.43 1mz8 h LEU 34 N 0.19 -0.11 -1.60 2.57 5.85 -1.82 -2.01 115.31 118.38 1mz8 h LEU 34 Ca -0.18 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 1mz8 h LEU 34 Cb 1.96 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 43.15 1mz8 h LEU 34 CO 0.23 -0.02 -0.20 0.44 -0.34 0.00 0.00 178.44 178.55 1mz8 h ASP 35 N 0.15 0.00 -0.19 1.25 5.19 -1.25 0.10 116.42 121.68 1mz8 h ASP 35 Ca 0.23 -0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.42 1mz8 h ASP 35 Cb 0.32 -0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.83 1mz8 h ASP 35 CO -0.34 0.20 -0.73 0.58 -3.12 0.00 0.00 179.24 175.83 1mz8 h VAL 36 N 0.00 1.27 -0.44 -1.35 2.07 -1.56 -0.71 116.25 115.53 1mz8 h VAL 36 Ca -0.00 -1.91 -0.07 0.00 0.82 0.00 0.00 66.70 65.54 1mz8 h VAL 36 Cb 0.35 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1mz8 h VAL 36 CO 0.03 0.61 -0.02 -0.07 0.02 0.00 0.00 177.57 178.14 1mz8 h LEU 37 N 0.58 0.70 -0.35 2.57 3.38 -0.55 -1.77 115.31 119.88 1mz8 h LEU 37 Ca -0.04 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1mz8 h LEU 37 Cb 1.35 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1mz8 h LEU 37 CO 0.15 0.78 -0.14 -0.07 0.09 0.00 0.00 178.44 179.26 1mz8 h LEU 38 N 0.68 0.73 -0.82 1.67 4.07 -0.72 -0.63 115.31 120.29 1mz8 h LEU 38 Ca 0.13 -0.39 0.04 0.00 0.08 0.00 0.00 57.88 57.74 1mz8 h LEU 38 Cb 0.44 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 41.93 1mz8 h LEU 38 CO 0.02 0.96 0.52 -0.33 -1.08 0.00 0.00 178.44 178.53 1mz8 h GLU 39 N 0.50 0.98 -0.06 1.13 5.08 -0.87 0.62 114.58 121.95 1mz8 h GLU 39 Ca 0.08 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1mz8 h GLU 39 Cb 0.66 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1mz8 h GLU 39 CO 0.05 0.65 0.03 1.25 -1.00 0.00 0.00 179.01 179.98 1mz8 h HIS 40 N 1.00 0.08 -0.40 4.33 2.76 -1.18 0.26 115.15 122.01 1mz8 h HIS 40 Ca 0.33 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.56 1mz8 h HIS 40 Cb 0.04 -0.03 -0.06 0.00 1.55 0.00 0.00 27.41 28.91 1mz8 h HIS 40 CO -0.03 0.15 0.07 0.35 -1.30 0.00 0.00 177.93 177.17 1mz8 h PHE 41 N -0.00 0.11 -0.41 5.26 3.04 -0.56 -1.19 116.94 123.19 1mz8 h PHE 41 Ca 0.02 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.98 1mz8 h PHE 41 Cb 0.09 0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.59 1mz8 h PHE 41 CO -0.04 0.00 0.20 0.28 -2.02 0.00 0.00 178.31 176.73 1mz8 h VAL 42 N 0.20 1.18 -0.11 1.41 2.07 -0.69 -1.92 116.25 118.38 1mz8 h VAL 42 Ca 0.19 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1mz8 h VAL 42 Cb 0.24 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1mz8 h VAL 42 CO -0.26 0.19 0.05 0.50 0.02 0.00 0.00 177.57 178.07 1mz8 h LYS 43 N 0.52 0.11 0.01 1.57 3.64 -0.56 -2.20 116.57 119.67 1mz8 h LYS 43 Ca 0.14 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.32 1mz8 h LYS 43 Cb 0.12 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1mz8 h LYS 43 CO -0.02 0.07 -0.91 -0.84 -2.27 0.00 0.00 179.45 175.48 1mz8 h ILE 44 N 0.11 1.59 0.00 2.00 3.07 -1.20 -3.25 117.51 119.82 1mz8 h ILE 44 Ca 0.05 -2.92 -0.17 0.00 1.55 0.00 0.00 64.86 63.37 1mz8 h ILE 44 Cb 0.01 2.61 -0.02 0.00 -0.27 0.00 0.00 36.82 39.15 1mz8 h ILE 44 CO -0.04 0.84 -0.79 0.71 -1.05 0.00 0.00 178.15 177.82 1mz8 h THR 45 N 0.04 1.52 -0.23 0.16 1.35 -1.35 -3.38 112.91 111.01 1mz8 h THR 45 Ca -0.03 -2.77 -0.10 0.00 -0.55 0.00 0.00 66.41 62.96 1mz8 h THR 45 Cb 1.58 2.51 -0.04 0.00 -1.73 0.00 0.00 68.15 70.48 1mz8 h THR 45 CO 0.13 0.78 -0.09 -0.62 -0.25 0.00 0.00 175.52 175.46 1mz8 n GLU 46 N -3.52 -1.74 -2.32 4.72 1.02 -0.83 -4.96 120.64 113.01 1mz8 n GLU 46 Ca -0.00 0.65 -0.41 0.00 -0.02 0.00 0.00 57.16 57.37 1mz8 n GLU 46 Cb 0.78 -5.03 -0.03 0.00 -0.02 0.00 0.00 31.44 27.14 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 -1.48 3.36 0.53 -0.32 2.46 -1.26 -4.91 115.29 113.67 1mz8 s HIS 47 Ca 0.00 1.39 0.28 0.00 0.47 0.00 0.00 55.06 57.20 1mz8 s HIS 47 Cb 0.00 -3.49 1.66 0.00 -0.13 0.00 0.00 32.58 30.63 1mz8 s HIS 47 CO 0.00 -1.39 2.19 -1.00 -2.47 0.00 0.00 174.74 172.07 1mz8 h PRO 48 N 5.03 0.00 -0.01 2.88 0.13 -1.96 -1.52 132.00 136.56 1mz8 h PRO 48 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1mz8 h PRO 48 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1mz8 h PRO 48 CO 0.74 0.05 -0.10 -0.25 -0.23 0.00 0.00 178.00 178.21 1mz8 n ASP 49 N -3.82 0.81 0.00 1.44 8.00 -1.26 -4.98 116.55 116.74 1mz8 n ASP 49 Ca -0.03 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.54 1mz8 n ASP 49 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 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 1.23 2.70 0.05 0.44 0.00 -0.57 -1.39 105.19 107.64 1mz8 n GLY 50 Ca 0.16 0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.40 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 1.53 0.25 2.61 -2.24 -1.26 -1.66 114.28 113.51 1mz8 n THR 51 Ca 0.00 0.51 0.10 0.00 -2.27 0.00 0.00 64.05 62.39 1mz8 n THR 51 Cb 0.00 -1.47 0.67 0.00 -2.10 0.00 0.00 70.33 67.42 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 -0.26 3.42 3.32 -1.59 0.49 116.42 121.80 1mz8 h ASP 52 Ca 0.00 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 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 0.13 0.17 -0.07 -1.72 0.00 0.00 179.24 177.76 1mz8 h LEU 53 N 0.00 0.18 0.00 1.55 3.38 -1.50 0.13 115.31 119.05 1mz8 h LEU 53 Ca -0.00 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 1mz8 h LEU 53 Cb 0.30 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1mz8 h LEU 53 CO 0.02 0.13 -1.34 -0.38 0.09 0.00 0.00 178.44 176.95 1mz8 n ILE 54 N -4.49 1.53 0.54 1.22 5.41 0.02 -4.32 119.36 119.27 1mz8 n ILE 54 Ca 0.02 -0.05 0.12 0.00 1.00 0.00 0.00 62.75 63.84 1mz8 n ILE 54 Cb 0.18 -2.04 0.15 0.00 -0.71 0.00 0.00 39.64 37.22 1mz8 n ILE 54 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1mz8 h TYR 55 N -1.00 0.00 -2.01 1.39 0.05 -1.11 -3.39 116.97 110.90 1mz8 h TYR 55 Ca -0.37 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 57.89 1mz8 h TYR 55 Cb 1.32 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 38.66 1mz8 h TYR 55 CO 0.08 0.00 -1.14 0.66 -1.05 0.00 0.00 178.16 176.71 1mz8 n TYR 56 N -2.14 -0.01 -2.08 4.88 4.01 0.45 -5.04 117.16 117.23 1mz8 n TYR 56 Ca 0.03 -3.69 -0.39 0.00 -0.16 0.00 0.00 57.90 53.69 1mz8 n TYR 56 Cb 0.45 -0.39 -0.00 0.00 -0.31 0.00 0.00 39.34 39.09 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 -1.79 3.93 0.66 -0.72 0.04 -1.22 -4.64 135.00 131.26 1mz8 s PRO 57 Ca 0.37 2.11 -0.18 0.00 0.04 0.00 0.00 61.00 63.35 1mz8 s PRO 57 Cb 0.25 -2.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 1mz8 s PRO 57 CO -0.10 -0.51 1.28 -1.12 0.04 0.00 0.00 177.00 176.60 1mz8 s SER 58 N -0.81 4.55 0.00 6.66 0.01 -1.26 -4.90 113.70 117.95 1mz8 s SER 58 Ca 0.58 2.59 0.23 0.00 1.31 0.00 0.00 55.95 60.66 1mz8 s SER 58 Cb -0.37 -2.62 1.17 0.00 0.21 0.00 0.00 66.02 64.41 1mz8 s SER 58 CO 0.47 -2.04 1.77 0.47 0.41 0.00 0.00 173.24 174.32 1mz8 n ASP 59 N -2.00 0.00 -0.71 2.44 8.00 -1.26 -3.15 116.55 119.87 1mz8 n ASP 59 Ca 0.16 -0.03 0.10 0.00 0.71 0.00 0.00 54.79 55.73 1mz8 n ASP 59 Cb 0.48 -0.29 0.31 0.00 -0.02 0.00 0.00 41.12 41.60 1mz8 n ASP 59 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1mz8 n ASN 60 N -1.29 2.11 -4.07 -2.24 0.23 -1.26 -4.90 115.26 103.83 1mz8 n ASN 60 Ca 0.11 -1.82 -0.10 0.00 -0.53 0.00 0.00 54.58 52.24 1mz8 n ASN 60 Cb 0.19 -0.17 -0.09 0.00 -2.08 0.00 0.00 39.78 37.64 1mz8 n ASN 60 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1mz8 s ARG 61 N -1.67 1.02 0.39 -3.83 1.70 -1.19 -5.15 118.95 110.23 1mz8 s ARG 61 Ca 0.32 -1.33 -0.24 0.00 -0.47 0.00 0.00 55.73 54.01 1mz8 s ARG 61 Cb 0.18 0.30 -0.09 0.00 -0.57 0.00 0.00 34.95 34.76 1mz8 s ARG 61 CO 0.26 -0.33 1.02 -0.51 -1.08 0.00 0.00 175.30 174.66 1mz8 s ASP 62 N -3.02 6.89 -1.20 -2.89 1.01 -1.26 -4.82 116.67 111.39 1mz8 s ASP 62 Ca 0.21 1.97 -0.16 0.00 0.71 0.00 0.00 52.55 55.29 1mz8 s ASP 62 Cb 0.06 -2.58 0.14 0.00 1.01 0.00 0.00 42.92 41.54 1mz8 s ASP 62 CO 0.01 -0.39 1.48 -0.62 0.21 0.00 0.00 175.17 175.86 1mz8 s ASP 63 N -1.62 6.95 0.22 0.27 2.15 -1.26 -4.17 116.67 119.21 1mz8 s ASP 63 Ca 0.56 -2.71 -0.22 0.00 0.43 0.00 0.00 52.55 50.61 1mz8 s ASP 63 Cb -0.20 -2.45 0.04 0.00 -0.30 0.00 0.00 42.92 40.01 1mz8 s ASP 63 CO 0.26 -0.91 0.69 -0.94 -0.17 0.00 0.00 175.17 174.09 1mz8 s SER 64 N 3.34 -0.39 0.34 -0.34 1.04 -1.26 -5.00 113.70 111.43 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 0.66 0.65 0.00 0.10 0.00 0.00 66.02 67.42 1mz8 s SER 64 CO 0.01 -1.16 1.97 -0.65 0.98 0.00 0.00 173.24 174.39 1mz8 h PRO 65 N 2.00 0.84 -0.45 4.02 0.11 -1.98 -0.53 132.00 136.00 1mz8 h PRO 65 Ca -0.25 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.70 1mz8 h PRO 65 Cb 1.27 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1mz8 h PRO 65 CO 0.29 0.55 -0.14 0.93 -0.21 0.00 0.00 178.00 179.42 1mz8 h GLU 66 N 0.86 0.90 -0.19 1.05 3.07 -1.96 -1.81 114.58 116.50 1mz8 h GLU 66 Ca 0.30 -0.36 -0.09 0.00 -0.50 0.00 0.00 59.36 58.71 1mz8 h GLU 66 Cb 0.11 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 1mz8 h GLU 66 CO -0.09 1.01 -0.28 0.78 -1.40 0.00 0.00 179.01 179.03 1mz8 h GLY 67 N 0.74 0.39 0.89 -3.84 0.00 -1.48 -1.16 103.07 98.60 1mz8 h GLY 67 Ca 0.11 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 1mz8 h GLY 67 CO 0.05 0.29 -0.03 -2.22 0.00 0.00 0.00 176.54 174.63 1mz8 h ILE 68 N 0.32 1.27 -0.72 2.60 2.04 -0.96 -1.41 117.51 120.65 1mz8 h ILE 68 Ca 0.05 -1.02 -0.03 0.00 1.00 0.00 0.00 64.86 64.86 1mz8 h ILE 68 Cb 0.66 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 1mz8 h ILE 68 CO 0.05 0.33 0.33 0.58 0.00 0.00 0.00 178.15 179.44 1mz8 h VAL 69 N 0.35 1.24 0.05 1.67 2.07 -1.15 -1.37 116.25 119.11 1mz8 h VAL 69 Ca 0.08 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1mz8 h VAL 69 Cb 0.49 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1mz8 h VAL 69 CO 0.02 0.29 -0.03 0.50 0.02 0.00 0.00 177.57 178.37 1mz8 h LYS 70 N 1.02 -0.07 -0.83 1.57 3.64 -1.05 0.36 116.57 121.21 1mz8 h LYS 70 Ca 0.25 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.66 1mz8 h LYS 70 Cb 0.14 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 1mz8 h LYS 70 CO -0.03 0.00 0.55 1.49 -2.27 0.00 0.00 179.45 179.19 1mz8 h GLU 71 N -0.12 1.02 -0.20 1.90 4.81 -1.08 -0.88 114.58 120.02 1mz8 h GLU 71 Ca -0.01 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1mz8 h GLU 71 Cb 0.10 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1mz8 h GLU 71 CO 0.01 0.68 0.03 0.82 -0.73 0.00 0.00 179.01 179.82 1mz8 h ILE 72 N 1.05 1.23 -0.47 2.32 2.04 -0.83 -1.45 117.51 121.41 1mz8 h ILE 72 Ca 0.33 -0.76 0.05 0.00 1.00 0.00 0.00 64.86 65.48 1mz8 h ILE 72 Cb -0.00 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 1mz8 h ILE 72 CO -0.09 0.23 0.19 0.11 0.00 0.00 0.00 178.15 178.59 1mz8 h LYS 73 N 0.13 0.37 -0.49 2.37 1.57 -0.44 -0.09 116.57 120.00 1mz8 h LYS 73 Ca 0.06 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 1mz8 h LYS 73 Cb 0.33 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1mz8 h LYS 73 CO 0.00 0.24 -0.12 0.93 -0.57 0.00 0.00 179.45 179.94 1mz8 h GLU 74 N 0.38 0.90 -0.29 3.15 5.08 -1.00 -0.82 114.58 121.99 1mz8 h GLU 74 Ca 0.22 -0.32 -0.13 0.00 -1.00 0.00 0.00 59.36 58.12 1mz8 h GLU 74 Cb 0.19 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1mz8 h GLU 74 CO -0.20 0.97 -0.32 2.35 -1.00 0.00 0.00 179.01 180.81 1mz8 h TRP 75 N 0.81 0.88 -0.46 4.33 7.01 -0.99 -1.54 115.95 125.99 1mz8 h TRP 75 Ca 0.13 -0.27 -0.11 0.00 2.11 0.00 0.00 58.89 60.75 1mz8 h TRP 75 Cb 0.65 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.51 1mz8 h TRP 75 CO 0.04 1.03 -0.14 0.00 -2.79 0.00 0.00 178.44 176.58 1mz8 h ARG 76 N 0.47 0.86 0.15 2.65 3.08 -0.86 -2.22 114.38 118.51 1mz8 h ARG 76 Ca 0.04 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 1mz8 h ARG 76 Cb 0.90 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1mz8 h ARG 76 CO 0.08 0.95 -0.07 0.00 -1.07 0.00 0.00 179.97 179.85 1mz8 h ALA 77 N 1.07 -0.20 -0.26 0.04 0.00 -1.12 0.14 119.26 118.93 1mz8 h ALA 77 Ca 0.12 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1mz8 h ALA 77 Cb 0.66 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1mz8 h ALA 77 CO 0.05 -0.52 0.35 0.00 0.00 0.00 0.00 179.25 179.13 1mz8 h ALA 78 N 0.42 1.85 -0.44 0.00 0.00 -1.13 0.14 119.26 120.10 1mz8 h ALA 78 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1mz8 h ALA 78 Cb 0.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1mz8 h ALA 78 CO 0.03 -0.48 0.00 0.09 0.00 0.00 0.00 179.25 178.89 1mz8 n ASN 79 N -3.55 3.74 -2.96 0.00 3.02 -0.85 -4.98 115.26 109.68 1mz8 n ASN 79 Ca 0.04 -2.36 -0.21 0.00 -0.03 0.00 0.00 54.58 52.01 1mz8 n ASN 79 Cb 0.48 -0.42 0.05 0.00 -0.61 0.00 0.00 39.78 39.28 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 0.53 -0.42 3.79 7.41 0.00 0.48 -5.01 105.19 111.96 1mz8 n GLY 80 Ca 0.19 0.10 -0.28 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.80 2.91 0.36 1.61 1.02 0.43 -5.03 119.74 115.24 1mz8 s LYS 81 Ca 0.36 -0.77 -0.28 0.00 0.02 0.00 0.00 55.97 55.29 1mz8 s LYS 81 Cb -0.16 -2.69 -0.11 0.00 -0.52 0.00 0.00 37.83 34.35 1mz8 s LYS 81 CO 0.45 0.53 1.49 -1.25 -0.92 0.00 0.00 175.35 175.64 1mz8 s PRO 82 N -2.76 4.13 0.00 -1.68 0.04 -1.26 -4.44 135.00 129.02 1mz8 s PRO 82 Ca 0.30 2.55 0.00 0.00 0.04 0.00 0.00 61.00 63.89 1mz8 s PRO 82 Cb -0.11 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1mz8 s PRO 82 CO 0.23 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.16 1mz8 n GLY 83 N 0.66 0.77 3.76 0.56 0.00 -1.26 -4.71 105.19 104.98 1mz8 n GLY 83 Ca 0.02 -1.93 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 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 0.50 2.56 0.26 1.61 0.08 -1.26 -3.62 117.98 118.11 1mz8 s PHE 84 Ca 0.00 1.55 -0.30 0.00 0.12 0.00 0.00 56.93 58.30 1mz8 s PHE 84 Cb 0.00 -3.25 -0.11 0.00 -0.57 0.00 0.00 43.02 39.09 1mz8 s PHE 84 CO 0.00 -1.79 1.56 0.21 -0.10 0.00 0.00 175.22 175.10 1mz8 s LYS 85 N -3.85 4.17 -1.15 0.44 2.20 0.25 -4.92 119.74 116.87 1mz8 s LYS 85 Ca 0.70 2.49 -0.07 0.00 -0.36 0.00 0.00 55.97 58.73 1mz8 s LYS 85 Cb -0.23 -3.06 0.25 0.00 -1.51 0.00 0.00 37.83 33.29 1mz8 s LYS 85 CO 0.38 -0.58 1.58 1.04 -0.36 0.00 0.00 175.35 177.41 1mz8 n GLN 86 N 2.50 4.08 0.00 4.03 1.13 -1.26 -4.27 117.38 123.59 1mz8 n GLN 86 Ca 0.09 -4.18 0.00 0.00 -1.94 0.00 0.00 57.00 50.96 1mz8 n GLN 86 Cb 0.38 -2.67 0.00 0.00 0.11 0.00 0.00 30.24 28.06 1mz8 n GLN 86 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03