#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ix2 s PRO 3 N 0.00 3.71 -0.02 -0.41 0.04 -1.26 -4.86 135.00 132.20 1ix2 s PRO 3 Ca 0.00 1.83 0.03 0.00 0.04 0.00 0.00 61.00 62.90 1ix2 s PRO 3 Cb 0.00 -2.41 -0.00 0.00 0.04 0.00 0.00 34.50 32.13 1ix2 s PRO 3 CO 0.00 -0.61 -0.10 -1.21 0.04 0.00 0.00 177.00 175.12 1ix2 s GLU 4 N -2.70 0.94 -0.26 4.56 2.02 -1.26 -4.92 118.70 117.09 1ix2 s GLU 4 Ca 0.64 -0.35 -0.29 0.00 0.02 0.00 0.00 54.97 54.99 1ix2 s GLU 4 Cb -0.30 -0.89 -0.02 0.00 0.10 0.00 0.00 34.13 33.02 1ix2 s GLU 4 CO 0.36 0.18 1.55 -1.17 0.02 0.00 0.00 175.26 176.21 1ix2 s LEU 5 N -0.04 3.84 -0.03 1.80 2.96 -1.26 -1.02 118.68 124.93 1ix2 s LEU 5 Ca 0.01 1.46 -0.06 0.00 -0.22 0.00 0.00 54.13 55.31 1ix2 s LEU 5 Cb -0.06 -3.53 -0.29 0.00 0.50 0.00 0.00 46.19 42.81 1ix2 s LEU 5 CO 0.00 -1.27 0.72 0.11 -1.32 0.00 0.00 176.35 174.59 1ix2 h LYS 6 N 10.62 0.30 -2.29 1.98 1.57 -0.92 -3.48 116.57 124.36 1ix2 h LYS 6 Ca -0.32 -0.52 0.15 0.00 -1.87 0.00 0.00 60.65 58.10 1ix2 h LYS 6 Cb 1.14 0.19 -0.11 0.00 0.08 0.00 0.00 32.23 33.53 1ix2 h LYS 6 CO 1.02 1.18 0.50 -1.54 -0.57 0.00 0.00 179.45 180.04 1ix2 s SER 7 N -7.08 -0.25 0.06 0.86 1.04 -1.05 -5.04 113.70 102.24 1ix2 s SER 7 Ca -0.13 -0.23 -0.13 0.00 0.48 0.00 0.00 55.95 55.94 1ix2 s SER 7 Cb 0.06 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.64 1ix2 s SER 7 CO 0.84 -0.77 0.28 -0.94 0.98 0.00 0.00 173.24 173.63 1ix2 s SER 8 N -2.76 -0.07 -0.15 7.02 1.04 -1.26 -0.99 113.70 116.53 1ix2 s SER 8 Ca 0.09 -0.33 -0.04 0.00 0.48 0.00 0.00 55.95 56.16 1ix2 s SER 8 Cb -0.01 0.36 0.05 0.00 0.10 0.00 0.00 66.02 66.53 1ix2 s SER 8 CO -0.02 -0.67 0.07 -0.69 0.98 0.00 0.00 173.24 172.91 1ix2 s VAL 9 N -3.01 0.05 0.59 5.02 1.01 -0.17 -2.92 120.40 120.98 1ix2 s VAL 9 Ca -0.02 -0.13 -0.20 0.00 0.00 0.00 0.00 61.98 61.63 1ix2 s VAL 9 Cb 0.01 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 1ix2 s VAL 9 CO -0.06 -0.16 1.34 -2.84 0.00 0.00 0.00 175.10 173.37 1ix2 s PRO 10 N 2.08 2.87 0.49 2.72 0.02 -1.26 -0.35 135.00 141.56 1ix2 s PRO 10 Ca 0.02 2.18 -0.20 0.00 0.02 0.00 0.00 61.00 63.02 1ix2 s PRO 10 Cb -0.15 -2.08 -0.08 0.00 0.02 0.00 0.00 34.50 32.21 1ix2 s PRO 10 CO -0.08 -1.39 1.06 -1.14 -0.33 0.00 0.00 177.00 175.13 1ix2 s GLN 11 N -3.11 3.74 0.35 5.54 0.74 -1.15 -4.96 119.66 120.81 1ix2 s GLN 11 Ca 0.77 1.44 -0.29 0.00 0.05 0.00 0.00 55.36 57.33 1ix2 s GLN 11 Cb -0.40 -2.12 -0.11 0.00 1.10 0.00 0.00 33.01 31.48 1ix2 s GLN 11 CO 0.45 -0.50 1.50 0.00 -0.55 0.00 0.00 175.29 176.19 1ix2 n ALA 12 N -0.95 2.32 -2.57 1.58 0.00 -1.26 -2.60 120.51 117.03 1ix2 n ALA 12 Ca 0.09 0.35 -0.19 0.00 0.00 0.00 0.00 53.44 53.69 1ix2 n ALA 12 Cb 0.52 -2.42 0.01 0.00 0.00 0.00 0.00 19.45 17.56 1ix2 n ALA 12 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ix2 n ASP 13 N 0.94 -5.55 -4.75 0.00 8.00 0.99 -5.01 116.55 111.16 1ix2 n ASP 13 Ca 0.03 -0.10 -0.23 0.00 0.71 0.00 0.00 54.79 55.21 1ix2 n ASP 13 Cb 0.38 -4.52 -0.06 0.00 -0.02 0.00 0.00 41.12 36.90 1ix2 n ASP 13 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1ix2 s SER 14 N -2.35 4.83 -0.17 -2.24 1.04 -1.07 -4.98 113.70 108.76 1ix2 s SER 14 Ca 0.10 -0.68 0.01 0.00 0.48 0.00 0.00 55.95 55.86 1ix2 s SER 14 Cb -0.04 -0.82 0.02 0.00 0.10 0.00 0.00 66.02 65.27 1ix2 s SER 14 CO 0.12 -0.27 -0.20 0.00 0.98 0.00 0.00 173.24 173.87 1ix2 s ALA 15 N -2.38 2.27 0.18 5.32 0.00 -1.26 -0.76 121.76 125.14 1ix2 s ALA 15 Ca 0.37 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1ix2 s ALA 15 Cb -0.04 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 1ix2 s ALA 15 CO 0.23 -0.26 0.07 0.14 0.00 0.00 0.00 175.76 175.94 1ix2 s VAL 16 N 1.17 0.31 0.63 0.00 -7.23 0.00 -4.94 120.40 110.34 1ix2 s VAL 16 Ca 0.02 -1.96 -0.15 0.00 -1.81 0.00 0.00 61.98 58.07 1ix2 s VAL 16 Cb -0.14 -2.28 -0.02 0.00 0.56 0.00 0.00 36.38 34.51 1ix2 s VAL 16 CO -0.10 -0.27 1.08 0.00 -0.31 0.00 0.00 175.10 175.50 1ix2 s ALA 17 N -3.92 2.60 -0.25 1.32 0.00 -1.26 -0.89 121.76 119.36 1ix2 s ALA 17 Ca 0.30 0.45 -0.40 0.00 0.00 0.00 0.00 51.96 52.31 1ix2 s ALA 17 Cb 0.07 -3.27 -0.16 0.00 0.00 0.00 0.00 23.12 19.77 1ix2 s ALA 17 CO 0.07 -1.06 1.73 0.00 0.00 0.00 0.00 175.76 176.49 1ix2 n ALA 18 N -2.28 -0.19 -1.79 0.00 0.00 -1.26 -4.84 120.51 110.15 1ix2 n ALA 18 Ca 0.09 0.39 -0.36 0.00 0.00 0.00 0.00 53.44 53.56 1ix2 n ALA 18 Cb 0.52 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.69 1ix2 n ALA 18 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ix2 s PRO 19 N 3.40 4.37 0.25 0.00 0.04 -1.26 -4.96 135.00 136.84 1ix2 s PRO 19 Ca 0.97 1.34 0.11 0.00 0.04 0.00 0.00 61.00 63.47 1ix2 s PRO 19 Cb -1.05 -2.58 0.25 0.00 0.04 0.00 0.00 34.50 31.17 1ix2 s PRO 19 CO 0.64 0.07 1.54 0.93 0.04 0.00 0.00 177.00 180.22 1ix2 h GLU 20 N 2.67 0.00 -3.13 4.56 5.08 -1.97 -3.47 114.58 118.33 1ix2 h GLU 20 Ca -0.48 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1ix2 h GLU 20 Cb 1.20 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.35 1ix2 h GLU 20 CO 0.63 0.66 0.13 -1.59 -1.00 0.00 0.00 179.01 177.85 1ix2 s LYS 21 N -3.36 1.40 -0.19 2.33 0.00 -1.26 -4.50 119.74 114.17 1ix2 s LYS 21 Ca -0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 55.97 55.22 1ix2 s LYS 21 Cb 0.11 0.56 -0.01 0.00 0.00 0.00 0.00 37.83 38.50 1ix2 s LYS 21 CO 0.76 -0.61 -0.07 0.42 0.00 0.00 0.00 175.35 175.85 1ix2 s ILE 22 N -3.83 3.30 -0.20 3.79 1.01 0.51 -4.64 121.20 121.14 1ix2 s ILE 22 Ca 0.06 -0.54 -0.07 0.00 0.00 0.00 0.00 60.65 60.10 1ix2 s ILE 22 Cb -0.02 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 1ix2 s ILE 22 CO -0.06 0.46 0.07 -1.58 0.00 0.00 0.00 174.94 173.83 1ix2 s GLN 23 N 1.07 3.88 -0.21 2.79 2.00 0.52 -0.19 119.66 129.53 1ix2 s GLN 23 Ca 0.01 -0.38 -0.02 0.00 -2.00 0.00 0.00 55.36 52.96 1ix2 s GLN 23 Cb -0.15 -3.25 0.00 0.00 0.80 0.00 0.00 33.01 30.42 1ix2 s GLN 23 CO -0.01 0.14 -0.09 -0.51 -0.50 0.00 0.00 175.29 174.31 1ix2 s LEU 24 N 0.75 2.68 -0.20 3.68 1.43 -1.26 -1.00 118.68 124.75 1ix2 s LEU 24 Ca 0.04 -0.52 -0.05 0.00 -1.03 0.00 0.00 54.13 52.57 1ix2 s LEU 24 Cb -0.13 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 1ix2 s LEU 24 CO 0.02 -0.02 -0.01 0.20 0.23 0.00 0.00 176.35 176.76 1ix2 s ASN 25 N 1.40 4.70 0.44 2.29 0.01 -0.16 -4.33 114.94 119.30 1ix2 s ASN 25 Ca 0.05 -0.24 0.07 0.00 -0.71 0.00 0.00 52.86 52.03 1ix2 s ASN 25 Cb -0.14 -1.80 -0.03 0.00 0.41 0.00 0.00 41.25 39.69 1ix2 s ASN 25 CO -0.06 0.05 0.29 -0.36 -1.51 0.00 0.00 177.10 175.50 1ix2 s PHE 26 N 1.09 2.49 -0.83 2.20 0.40 0.11 -0.26 117.98 123.19 1ix2 s PHE 26 Ca 0.02 -0.59 0.26 0.00 -0.60 0.00 0.00 56.93 56.02 1ix2 s PHE 26 Cb -0.14 -2.03 0.79 0.00 0.51 0.00 0.00 43.02 42.14 1ix2 s PHE 26 CO 0.01 -0.03 1.67 -1.13 0.70 0.00 0.00 175.22 176.44 1ix2 n SER 27 N -1.44 0.51 -4.21 1.36 3.41 -0.19 -4.74 113.62 108.33 1ix2 n SER 27 Ca 0.00 0.34 -0.13 0.00 -0.26 0.00 0.00 58.87 58.82 1ix2 n SER 27 Cb 0.63 -0.36 -0.10 0.00 -0.26 0.00 0.00 64.21 64.13 1ix2 n SER 27 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ix2 s GLU 28 N -3.07 0.95 0.32 4.33 0.41 -1.26 -4.94 118.70 115.43 1ix2 s GLU 28 Ca 0.11 -1.35 -0.29 0.00 -0.41 0.00 0.00 54.97 53.02 1ix2 s GLU 28 Cb 0.15 -0.47 -0.11 0.00 -1.78 0.00 0.00 34.13 31.92 1ix2 s GLU 28 CO 0.62 0.05 1.49 -0.80 -0.49 0.00 0.00 175.26 176.12 1ix2 s ASN 29 N -2.98 6.48 0.10 -0.19 0.01 -1.26 -4.47 114.94 112.62 1ix2 s ASN 29 Ca 0.13 2.89 -0.12 0.00 -0.71 0.00 0.00 52.86 55.05 1ix2 s ASN 29 Cb 0.02 -2.65 -0.06 0.00 0.41 0.00 0.00 41.25 38.98 1ix2 s ASN 29 CO -0.01 -0.80 0.46 -0.76 -1.51 0.00 0.00 177.10 174.47 1ix2 s LEU 30 N -1.18 4.35 -0.98 0.60 1.43 -0.49 -4.34 118.68 118.07 1ix2 s LEU 30 Ca 0.57 0.91 -0.12 0.00 -1.03 0.00 0.00 54.13 54.46 1ix2 s LEU 30 Cb -0.45 -3.06 0.24 0.00 0.03 0.00 0.00 46.19 42.95 1ix2 s LEU 30 CO 0.53 0.16 0.97 -0.89 0.23 0.00 0.00 176.35 177.34 1ix2 s THR 31 N -1.40 5.75 0.39 5.49 2.01 0.12 -4.90 115.64 123.10 1ix2 s THR 31 Ca 0.34 -2.90 0.11 0.00 0.31 0.00 0.00 61.69 59.56 1ix2 s THR 31 Cb -0.15 -4.56 0.33 0.00 0.01 0.00 0.00 72.50 68.14 1ix2 s THR 31 CO 0.18 -1.14 1.90 0.58 -0.69 0.00 0.00 174.62 175.45 1ix2 h VAL 32 N 4.29 0.84 0.00 3.82 2.07 -1.93 -1.78 116.25 123.55 1ix2 h VAL 32 Ca 0.15 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1ix2 h VAL 32 Cb 0.96 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1ix2 h VAL 32 CO 0.90 0.11 0.00 0.07 0.02 0.00 0.00 177.57 178.67 1ix2 h LYS 33 N 0.58 0.00 -0.12 1.57 2.10 -1.96 -0.48 116.57 118.26 1ix2 h LYS 33 Ca 0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 1ix2 h LYS 33 Cb 0.72 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.05 1ix2 h LYS 33 CO -0.16 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 178.48 1ix2 n PHE 34 N -3.08 0.15 -3.57 0.07 0.99 -0.69 -5.01 117.46 106.32 1ix2 n PHE 34 Ca -0.03 -0.17 -0.22 0.00 -0.00 0.00 0.00 57.45 57.03 1ix2 n PHE 34 Cb 0.07 -0.01 -0.02 0.00 -1.00 0.00 0.00 39.48 38.53 1ix2 n PHE 34 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 1ix2 s SER 35 N -0.94 4.97 0.00 4.37 0.01 -0.19 -4.63 113.70 117.30 1ix2 s SER 35 Ca 0.16 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1ix2 s SER 35 Cb 0.10 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.05 1ix2 s SER 35 CO 0.14 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.58 1ix2 n GLY 36 N -1.67 -0.99 3.49 3.44 0.00 -0.19 -4.97 105.19 104.31 1ix2 n GLY 36 Ca 0.04 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 1ix2 n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ix2 s ALA 37 N -2.00 -1.78 0.07 4.61 0.00 -1.26 -0.68 121.76 120.73 1ix2 s ALA 37 Ca 0.00 0.99 0.02 0.00 0.00 0.00 0.00 51.96 52.97 1ix2 s ALA 37 Cb 0.00 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.43 1ix2 s ALA 37 CO 0.00 -0.62 -0.07 -1.59 0.00 0.00 0.00 175.76 173.47 1ix2 s LYS 38 N -2.79 0.68 -0.05 0.00 -2.85 0.28 -4.93 119.74 110.08 1ix2 s LYS 38 Ca 0.01 -1.04 0.05 0.00 -1.00 0.00 0.00 55.97 53.99 1ix2 s LYS 38 Cb -0.01 -0.27 -0.01 0.00 -2.06 0.00 0.00 37.83 35.49 1ix2 s LYS 38 CO -0.06 0.02 -0.20 -1.17 0.10 0.00 0.00 175.35 174.04 1ix2 s LEU 39 N -2.29 1.97 0.00 2.77 2.96 -1.26 -1.36 118.68 121.47 1ix2 s LEU 39 Ca 0.01 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 1ix2 s LEU 39 Cb -0.03 -1.11 0.00 0.00 0.50 0.00 0.00 46.19 45.55 1ix2 s LEU 39 CO -0.02 0.19 0.00 0.41 -1.32 0.00 0.00 176.35 175.61 1ix2 n THR 40 N 3.05 0.00 -0.34 3.68 -1.04 -0.63 -0.80 114.28 118.20 1ix2 n THR 40 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1ix2 n THR 40 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 1ix2 n THR 40 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1ix2 n THR 42 N 0.00 0.00 -3.89 12.58 -2.24 -0.12 -0.54 114.28 120.07 1ix2 n THR 42 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1ix2 n THR 42 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 1ix2 n THR 42 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ix2 s GLY 43 N 0.00 0.33 -0.17 3.38 0.00 -1.11 -4.63 107.32 105.12 1ix2 s GLY 43 Ca 0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 44.72 43.89 1ix2 s GLY 43 CO 0.00 -0.34 0.38 1.25 0.00 0.00 0.00 173.10 174.38 1ix2 s LYS 45 N -3.28 4.25 0.00 2.90 2.47 -1.26 -0.65 119.74 124.16 1ix2 s LYS 45 Ca 0.16 0.22 0.00 0.00 -1.56 0.00 0.00 55.97 54.79 1ix2 s LYS 45 Cb -0.04 -3.47 0.00 0.00 -1.46 0.00 0.00 37.83 32.86 1ix2 s LYS 45 CO 0.10 0.11 0.00 0.41 0.16 0.00 0.00 175.35 176.13 1ix2 n GLY 46 N 3.57 1.79 3.94 5.54 0.00 -1.26 -5.14 105.19 113.63 1ix2 n GLY 46 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 1ix2 n GLY 46 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ix2 s SER 48 N -2.00 6.20 0.00 1.61 0.15 -1.26 -5.24 113.70 113.16 1ix2 s SER 48 Ca 0.00 0.05 0.29 0.00 0.70 0.00 0.00 55.95 56.99 1ix2 s SER 48 Cb 0.00 -1.80 1.22 0.00 -1.71 0.00 0.00 66.02 63.73 1ix2 s SER 48 CO 0.00 -0.03 1.86 -1.54 1.20 0.00 0.00 173.24 174.73 1ix2 n SER 49 N -1.11 0.46 -0.61 5.45 3.41 -1.26 -3.99 113.62 115.97 1ix2 n SER 49 Ca -0.08 -0.55 0.06 0.00 -0.26 0.00 0.00 58.87 58.04 1ix2 n SER 49 Cb 0.56 -0.08 0.21 0.00 -0.26 0.00 0.00 64.21 64.64 1ix2 n SER 49 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1ix2 n HIS 50 N -0.97 0.00 -3.23 7.33 8.25 -1.26 -4.85 115.22 120.49 1ix2 n HIS 50 Ca 0.14 -1.48 -0.24 0.00 -0.26 0.00 0.00 57.72 55.88 1ix2 n HIS 50 Cb 0.28 -0.25 -0.07 0.00 1.12 0.00 0.00 29.99 31.07 1ix2 n HIS 50 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ix2 n SER 51 N -1.09 1.36 -3.40 0.41 7.64 -1.26 -5.23 113.62 112.05 1ix2 n SER 51 Ca 0.19 -2.97 0.00 0.00 1.01 0.00 0.00 58.87 57.10 1ix2 n SER 51 Cb 0.70 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1ix2 n SER 51 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ix2 n PRO 52 N 1.04 -0.01 -4.56 1.43 -0.04 -1.26 -4.95 135.00 126.65 1ix2 n PRO 52 Ca 0.24 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.46 1ix2 n PRO 52 Cb 0.51 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.83 1ix2 n PRO 52 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1ix2 s PRO 54 N -1.21 1.27 -0.25 0.54 0.02 -1.26 -5.00 135.00 129.11 1ix2 s PRO 54 Ca 0.00 -0.91 -0.00 0.00 0.02 0.00 0.00 61.00 60.11 1ix2 s PRO 54 Cb 0.00 -1.37 0.04 0.00 0.02 0.00 0.00 34.50 33.19 1ix2 s PRO 54 CO 0.00 0.35 -0.08 0.08 -0.33 0.00 0.00 177.00 177.01 1ix2 s VAL 55 N -0.83 2.62 0.31 3.83 1.01 0.02 -4.96 120.40 122.41 1ix2 s VAL 55 Ca 0.06 -1.19 -0.29 0.00 0.00 0.00 0.00 61.98 60.56 1ix2 s VAL 55 Cb -0.09 -2.37 -0.12 0.00 0.00 0.00 0.00 36.38 33.80 1ix2 s VAL 55 CO 0.02 0.16 1.43 0.00 0.00 0.00 0.00 175.10 176.70 1ix2 n ALA 56 N 4.60 1.74 -3.34 5.51 0.00 -1.26 -4.27 120.51 123.50 1ix2 n ALA 56 Ca -0.16 0.37 -0.10 0.00 0.00 0.00 0.00 53.44 53.55 1ix2 n ALA 56 Cb 0.46 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.54 1ix2 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ix2 s ALA 57 N -0.59 -1.04 0.07 0.00 0.00 -1.26 -0.41 121.76 118.53 1ix2 s ALA 57 Ca 0.60 -0.12 0.08 0.00 0.00 0.00 0.00 51.96 52.51 1ix2 s ALA 57 Cb -0.55 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 1ix2 s ALA 57 CO 0.56 -0.80 -0.21 -1.59 0.00 0.00 0.00 175.76 173.72 1ix2 s LYS 58 N -3.86 1.26 -0.10 0.00 -2.85 -0.29 -4.88 119.74 109.03 1ix2 s LYS 58 Ca 0.08 -1.04 -0.00 0.00 -1.00 0.00 0.00 55.97 54.00 1ix2 s LYS 58 Cb -0.01 -1.45 -0.03 0.00 -2.06 0.00 0.00 37.83 34.28 1ix2 s LYS 58 CO -0.04 0.35 -0.08 0.08 0.10 0.00 0.00 175.35 175.77 1ix2 s VAL 59 N -0.97 3.58 0.09 1.79 1.01 -1.26 -0.51 120.40 124.14 1ix2 s VAL 59 Ca 0.07 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.59 1ix2 s VAL 59 Cb -0.09 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 1ix2 s VAL 59 CO 0.03 0.55 -0.11 0.00 0.00 0.00 0.00 175.10 175.57 1ix2 s ALA 60 N -0.26 1.12 0.51 5.51 0.00 -0.15 -4.99 121.76 123.51 1ix2 s ALA 60 Ca 0.03 -1.12 -0.21 0.00 0.00 0.00 0.00 51.96 50.66 1ix2 s ALA 60 Cb -0.13 -0.01 -0.06 0.00 0.00 0.00 0.00 23.12 22.92 1ix2 s ALA 60 CO 0.03 0.03 1.15 -1.25 0.00 0.00 0.00 175.76 175.72 1ix2 s PRO 61 N -2.43 3.48 0.77 0.00 0.04 -1.26 -0.66 135.00 134.94 1ix2 s PRO 61 Ca 0.03 1.70 -0.09 0.00 0.04 0.00 0.00 61.00 62.68 1ix2 s PRO 61 Cb -0.05 -2.16 0.10 0.00 0.04 0.00 0.00 34.50 32.42 1ix2 s PRO 61 CO 0.01 -0.76 1.10 0.20 0.04 0.00 0.00 177.00 177.59 1ix2 s GLY 62 N -1.58 1.69 0.24 0.56 0.00 -0.52 -4.66 107.32 103.05 1ix2 s GLY 62 Ca 0.69 -0.99 -0.03 0.00 0.00 0.00 0.00 44.72 44.40 1ix2 s GLY 62 CO 0.31 -0.48 1.69 0.00 0.00 0.00 0.00 173.10 174.62 1ix2 h ALA 63 N -0.88 0.99 -2.64 3.20 0.00 -1.95 -3.39 119.26 114.59 1ix2 h ALA 63 Ca -0.44 -0.32 -0.58 0.00 0.00 0.00 0.00 54.91 53.57 1ix2 h ALA 63 Cb 1.30 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 1ix2 h ALA 63 CO 0.56 0.60 0.09 0.34 0.00 0.00 0.00 179.25 180.84 1ix2 s ASP 64 N -6.70 6.76 0.38 0.00 -1.08 -1.26 -4.94 116.67 109.82 1ix2 s ASP 64 Ca -0.09 0.92 0.22 0.00 -0.52 0.00 0.00 52.55 53.08 1ix2 s ASP 64 Cb 0.14 -2.36 1.20 0.00 -1.46 0.00 0.00 42.92 40.44 1ix2 s ASP 64 CO 0.82 -0.21 1.65 -0.65 0.52 0.00 0.00 175.17 177.30 1ix2 h PRO 65 N 7.21 0.00 -0.31 4.34 0.11 -1.98 -0.11 132.00 141.26 1ix2 h PRO 65 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1ix2 h PRO 65 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ix2 h PRO 65 CO 0.77 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.19 1ix2 n LYS 66 N -2.32 2.06 -0.98 1.05 5.02 -1.26 -1.40 118.16 120.33 1ix2 n LYS 66 Ca -0.01 -1.60 0.00 0.00 -2.02 0.00 0.00 58.31 54.67 1ix2 n LYS 66 Cb 0.14 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1ix2 n LYS 66 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1ix2 n SER 67 N 0.81 1.18 -3.67 4.39 3.41 -0.06 -0.71 113.62 118.97 1ix2 n SER 67 Ca 0.17 -0.49 -0.14 0.00 -0.26 0.00 0.00 58.87 58.15 1ix2 n SER 67 Cb 0.43 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.30 1ix2 n SER 67 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ix2 s VAL 69 N -0.60 0.01 -0.22 -3.33 1.01 0.16 -1.43 120.40 115.99 1ix2 s VAL 69 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 1ix2 s VAL 69 Cb 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 1ix2 s VAL 69 CO 0.00 -0.03 0.00 -0.63 0.00 0.00 0.00 175.10 174.44 1ix2 s ILE 70 N -0.09 3.83 -0.28 2.22 -1.09 0.74 -0.98 121.20 125.55 1ix2 s ILE 70 Ca -0.03 -0.34 -0.04 0.00 -2.23 0.00 0.00 60.65 58.01 1ix2 s ILE 70 Cb -0.03 -2.75 0.03 0.00 -1.58 0.00 0.00 42.46 38.12 1ix2 s ILE 70 CO 0.02 0.40 0.01 -0.63 -1.23 0.00 0.00 174.94 173.52 1ix2 s ILE 71 N 1.34 3.34 0.49 2.92 1.09 0.34 -0.36 121.20 130.36 1ix2 s ILE 71 Ca 0.04 -0.98 -0.23 0.00 -1.10 0.00 0.00 60.65 58.38 1ix2 s ILE 71 Cb -0.15 -2.76 -0.07 0.00 -1.06 0.00 0.00 42.46 38.43 1ix2 s ILE 71 CO 0.01 0.08 1.28 -2.16 -0.10 0.00 0.00 174.94 174.04 1ix2 s PRO 72 N 1.38 3.54 0.00 2.79 0.04 -1.26 -1.13 135.00 140.35 1ix2 s PRO 72 Ca -0.00 2.05 0.23 0.00 0.04 0.00 0.00 61.00 63.32 1ix2 s PRO 72 Cb -0.18 -2.41 0.49 0.00 0.04 0.00 0.00 34.50 32.44 1ix2 s PRO 72 CO -0.01 -0.82 1.43 0.54 0.04 0.00 0.00 177.00 178.18 1ix2 n ARG 73 N -0.60 2.31 -4.11 4.56 1.74 0.46 -4.87 116.66 116.16 1ix2 n ARG 73 Ca 0.08 -1.97 -0.09 0.00 -0.77 0.00 0.00 57.85 55.11 1ix2 n ARG 73 Cb 0.46 -1.48 -0.10 0.00 -1.02 0.00 0.00 32.46 30.32 1ix2 n ARG 73 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1ix2 s GLU 74 N -1.62 0.82 0.79 5.56 -1.05 -1.26 -4.99 118.70 116.96 1ix2 s GLU 74 Ca 0.36 -1.33 -0.11 0.00 -0.15 0.00 0.00 54.97 53.74 1ix2 s GLU 74 Cb 0.21 0.24 0.07 0.00 -0.44 0.00 0.00 34.13 34.22 1ix2 s GLU 74 CO 0.30 -0.22 1.12 -2.14 0.95 0.00 0.00 175.26 175.28 1ix2 s PRO 75 N -3.99 1.98 -0.50 -4.83 0.02 -1.26 -4.99 135.00 121.43 1ix2 s PRO 75 Ca 0.17 1.36 -0.02 0.00 0.02 0.00 0.00 61.00 62.53 1ix2 s PRO 75 Cb 0.07 -1.85 0.13 0.00 0.02 0.00 0.00 34.50 32.87 1ix2 s PRO 75 CO -0.03 -1.88 0.29 -0.51 -0.33 0.00 0.00 177.00 174.55 1ix2 s LEU 76 N -5.88 5.15 0.83 -5.54 1.43 -1.26 -5.09 118.68 108.32 1ix2 s LEU 76 Ca 0.65 -2.44 -0.11 0.00 -1.03 0.00 0.00 54.13 51.20 1ix2 s LEU 76 Cb -0.20 -1.81 0.10 0.00 0.03 0.00 0.00 46.19 44.30 1ix2 s LEU 76 CO 0.53 -0.44 1.13 -2.84 0.23 0.00 0.00 176.35 174.96 1ix2 s PRO 77 N 0.54 1.68 0.24 1.29 0.02 -1.26 -4.79 135.00 132.72 1ix2 s PRO 77 Ca 0.13 1.39 -0.31 0.00 0.02 0.00 0.00 61.00 62.23 1ix2 s PRO 77 Cb -0.22 -1.81 -0.13 0.00 0.02 0.00 0.00 34.50 32.36 1ix2 s PRO 77 CO -0.04 -2.11 1.55 0.00 -0.33 0.00 0.00 177.00 176.07 1ix2 n ALA 78 N -3.78 1.96 0.00 -1.55 0.00 -1.26 -4.78 120.51 111.10 1ix2 n ALA 78 Ca 0.11 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1ix2 n ALA 78 Cb 0.52 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1ix2 n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ix2 n GLY 79 N 2.63 -1.46 3.69 0.00 0.00 -0.66 -4.57 105.19 104.82 1ix2 n GLY 79 Ca 0.12 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 1ix2 n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ix2 s THR 80 N -2.91 4.48 0.05 2.61 2.01 0.17 -0.61 115.64 121.45 1ix2 s THR 80 Ca 0.00 -0.18 0.05 0.00 0.31 0.00 0.00 61.69 61.88 1ix2 s THR 80 Cb 0.00 -2.91 -0.02 0.00 0.01 0.00 0.00 72.50 69.57 1ix2 s THR 80 CO 0.00 0.58 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.05 1ix2 s TYR 81 N -0.67 1.31 -0.09 4.92 1.51 0.09 -0.94 117.35 123.48 1ix2 s TYR 81 Ca 0.11 -0.38 0.04 0.00 -1.01 0.00 0.00 57.07 55.83 1ix2 s TYR 81 Cb -0.12 -0.77 -0.01 0.00 -0.11 0.00 0.00 41.96 40.96 1ix2 s TYR 81 CO 0.02 0.05 -0.22 0.50 -1.11 0.00 0.00 175.55 174.80 1ix2 s ARG 82 N -1.30 2.96 -0.21 -0.62 3.52 0.30 -1.49 118.95 122.11 1ix2 s ARG 82 Ca 0.02 -0.85 -0.06 0.00 -0.13 0.00 0.00 55.73 54.71 1ix2 s ARG 82 Cb -0.08 -2.32 -0.03 0.00 -1.56 0.00 0.00 34.95 30.95 1ix2 s ARG 82 CO 0.02 0.25 0.04 0.08 -0.81 0.00 0.00 175.30 174.87 1ix2 s VAL 83 N 0.18 4.28 -0.16 7.11 1.01 0.29 -1.60 120.40 131.50 1ix2 s VAL 83 Ca -0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 1ix2 s VAL 83 Cb -0.16 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 1ix2 s VAL 83 CO 0.07 0.41 -0.09 -1.81 0.00 0.00 0.00 175.10 173.68 1ix2 s ASP 84 N 0.99 4.27 0.18 3.32 1.01 -0.47 -1.76 116.67 124.21 1ix2 s ASP 84 Ca 0.03 -0.30 0.08 0.00 0.71 0.00 0.00 52.55 53.07 1ix2 s ASP 84 Cb -0.14 -1.68 -0.04 0.00 1.01 0.00 0.00 42.92 42.06 1ix2 s ASP 84 CO 0.02 0.12 -0.16 -1.66 0.21 0.00 0.00 175.17 173.70 1ix2 s TRP 85 N 0.65 1.72 -0.11 4.23 1.48 -0.29 -0.56 118.94 126.07 1ix2 s TRP 85 Ca -0.05 -0.53 -0.02 0.00 -1.06 0.00 0.00 56.10 54.44 1ix2 s TRP 85 Cb -0.15 -0.83 0.04 0.00 -1.16 0.00 0.00 33.47 31.37 1ix2 s TRP 85 CO 0.02 0.33 0.02 0.50 -4.06 0.00 0.00 176.95 173.77 1ix2 s ARG 86 N -3.26 0.53 -0.07 3.25 3.52 0.15 -2.21 118.95 120.86 1ix2 s ARG 86 Ca 0.19 -0.03 0.05 0.00 -0.13 0.00 0.00 55.73 55.81 1ix2 s ARG 86 Cb -0.03 -1.30 -0.00 0.00 -1.56 0.00 0.00 34.95 32.05 1ix2 s ARG 86 CO 0.06 -0.42 -0.22 0.00 -0.81 0.00 0.00 175.30 173.92 1ix2 s ALA 87 N 1.97 1.94 -0.03 6.12 0.00 0.60 -1.02 121.76 131.35 1ix2 s ALA 87 Ca 0.03 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.13 1ix2 s ALA 87 Cb -0.14 -0.66 -0.00 0.00 0.00 0.00 0.00 23.12 22.32 1ix2 s ALA 87 CO -0.06 0.33 -0.12 0.08 0.00 0.00 0.00 175.76 175.98 1ix2 s VAL 88 N 0.08 1.04 0.16 0.00 1.01 -1.26 -0.96 120.40 120.47 1ix2 s VAL 88 Ca -0.09 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1ix2 s VAL 88 Cb -0.15 -0.89 0.02 0.00 0.00 0.00 0.00 36.38 35.36 1ix2 s VAL 88 CO 0.05 0.31 0.13 -1.54 0.00 0.00 0.00 175.10 174.04 1ix2 n SER 89 N 3.10 1.45 0.12 3.32 3.41 -1.26 0.16 113.62 123.91 1ix2 n SER 89 Ca -0.17 -1.55 0.17 0.00 -0.26 0.00 0.00 58.87 57.07 1ix2 n SER 89 Cb 0.54 -0.02 0.74 0.00 -0.26 0.00 0.00 64.21 65.21 1ix2 n SER 89 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ix2 h SER 90 N 0.18 0.00 0.28 4.04 4.64 -1.94 0.17 113.55 120.92 1ix2 h SER 90 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1ix2 h SER 90 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1ix2 h SER 90 CO 0.16 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.56 1ix2 h ASP 91 N 0.00 0.00 -5.23 4.97 5.19 -1.96 -3.46 116.42 115.93 1ix2 h ASP 91 Ca 0.15 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.25 1ix2 h ASP 91 Cb 0.69 0.00 0.14 0.00 0.18 0.00 0.00 39.33 40.34 1ix2 h ASP 91 CO -0.00 0.00 -0.65 0.41 -3.12 0.00 0.00 179.24 175.88 1ix2 n THR 92 N -2.46 -4.27 -3.91 0.35 -1.04 0.60 -5.02 114.28 98.54 1ix2 n THR 92 Ca -0.01 -0.27 -0.29 0.00 -2.04 0.00 0.00 64.05 61.45 1ix2 n THR 92 Cb 0.11 -4.31 -0.16 0.00 -1.82 0.00 0.00 70.33 64.15 1ix2 n THR 92 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1ix2 s HIS 93 N -3.30 1.83 0.26 -1.42 5.04 -1.26 -5.00 115.29 111.44 1ix2 s HIS 93 Ca 0.20 -1.17 -0.30 0.00 -1.54 0.00 0.00 55.06 52.24 1ix2 s HIS 93 Cb -0.09 -1.37 -0.11 0.00 0.04 0.00 0.00 32.58 31.05 1ix2 s HIS 93 CO 0.64 -0.64 1.52 -2.14 -2.34 0.00 0.00 174.74 171.78 1ix2 s PRO 94 N 1.59 4.20 -0.07 2.88 0.02 -1.26 -4.48 135.00 137.88 1ix2 s PRO 94 Ca 0.00 2.42 0.04 0.00 0.02 0.00 0.00 61.00 63.48 1ix2 s PRO 94 Cb -0.15 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.29 1ix2 s PRO 94 CO -0.08 -0.53 -0.19 0.42 -0.33 0.00 0.00 177.00 176.29 1ix2 s ILE 95 N 0.12 1.66 0.23 2.83 -1.09 -0.14 -4.96 121.20 119.85 1ix2 s ILE 95 Ca 0.62 -0.80 0.11 0.00 -2.23 0.00 0.00 60.65 58.35 1ix2 s ILE 95 Cb -0.44 -1.45 -0.05 0.00 -1.58 0.00 0.00 42.46 38.94 1ix2 s ILE 95 CO 0.44 0.47 -0.20 0.42 -1.23 0.00 0.00 174.94 174.84 1ix2 s THR 96 N 0.34 2.25 0.21 2.92 -4.23 -1.26 -0.29 115.64 115.58 1ix2 s THR 96 Ca -0.13 -2.23 -0.22 0.00 -1.18 0.00 0.00 61.69 57.94 1ix2 s THR 96 Cb -0.16 -2.16 0.07 0.00 1.34 0.00 0.00 72.50 71.60 1ix2 s THR 96 CO 0.06 -0.35 0.99 -0.83 -0.54 0.00 0.00 174.62 173.94 1ix2 s GLY 97 N -3.17 0.10 0.12 3.99 0.00 -0.94 -5.01 107.32 102.41 1ix2 s GLY 97 Ca 0.25 -0.33 -0.23 0.00 0.00 0.00 0.00 44.72 44.40 1ix2 s GLY 97 CO 0.11 1.61 0.59 0.54 0.00 0.00 0.00 173.10 175.95 1ix2 s ASN 98 N -3.28 -0.54 0.19 1.64 2.20 -1.26 -1.14 114.94 112.75 1ix2 s ASN 98 Ca 0.19 0.09 -0.20 0.00 -0.94 0.00 0.00 52.86 52.01 1ix2 s ASN 98 Cb -0.03 0.57 0.04 0.00 -2.00 0.00 0.00 41.25 39.83 1ix2 s ASN 98 CO 0.06 -0.88 0.57 -0.72 -2.94 0.00 0.00 177.10 173.19 1ix2 s TYR 99 N -3.26 -0.28 0.12 1.54 -0.85 -0.72 -4.99 117.35 108.91 1ix2 s TYR 99 Ca -0.01 -0.03 0.10 0.00 -0.52 0.00 0.00 57.07 56.60 1ix2 s TYR 99 Cb -0.01 0.49 -0.04 0.00 0.38 0.00 0.00 41.96 42.79 1ix2 s TYR 99 CO -0.08 -0.93 -0.24 0.99 -1.52 0.00 0.00 175.55 173.76 1ix2 s THR 100 N -3.83 2.00 0.11 -3.49 2.01 -1.26 -0.55 115.64 110.62 1ix2 s THR 100 Ca 0.06 -1.67 -0.11 0.00 0.31 0.00 0.00 61.69 60.28 1ix2 s THR 100 Cb -0.02 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.70 1ix2 s THR 100 CO -0.05 0.00 0.26 0.72 -0.69 0.00 0.00 174.62 174.86 1ix2 s PHE 101 N -1.15 0.09 0.08 4.92 -0.71 -0.56 -0.01 117.98 120.64 1ix2 s PHE 101 Ca 0.11 -0.48 0.10 0.00 -1.04 0.00 0.00 56.93 55.61 1ix2 s PHE 101 Cb -0.10 0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.70 1ix2 s PHE 101 CO 0.05 -0.61 -0.26 0.99 -1.34 0.00 0.00 175.22 174.06 1ix2 s THR 102 N -3.86 2.24 -0.16 -4.49 2.01 0.07 -0.73 115.64 110.71 1ix2 s THR 102 Ca 0.06 -1.52 -0.05 0.00 0.31 0.00 0.00 61.69 60.49 1ix2 s THR 102 Cb 0.04 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 1ix2 s THR 102 CO -0.10 0.26 0.01 -0.69 -0.69 0.00 0.00 174.62 173.40 1ix2 s VAL 103 N -0.91 4.31 0.00 3.82 1.01 0.22 -0.82 120.40 128.04 1ix2 s VAL 103 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1ix2 s VAL 103 Cb -0.10 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1ix2 s VAL 103 CO 0.04 0.49 0.17 2.29 0.00 0.00 0.00 175.10 178.09