#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ix2 s GLU 4 N 0.00 0.22 -0.29 -0.52 2.12 -1.26 -4.91 118.70 114.06 1ix2 s GLU 4 Ca 0.00 -0.15 -0.29 0.00 0.36 0.00 0.00 54.97 54.89 1ix2 s GLU 4 Cb 0.00 -0.18 -0.00 0.00 0.26 0.00 0.00 34.13 34.21 1ix2 s GLU 4 CO 0.00 0.05 1.36 -1.17 -0.54 0.00 0.00 175.26 174.95 1ix2 s LEU 5 N -0.21 3.87 -0.05 2.70 2.96 -1.26 -1.07 118.68 125.62 1ix2 s LEU 5 Ca -0.01 1.25 -0.18 0.00 -0.22 0.00 0.00 54.13 54.97 1ix2 s LEU 5 Cb -0.02 -3.54 -0.31 0.00 0.50 0.00 0.00 46.19 42.82 1ix2 s LEU 5 CO -0.00 -1.13 0.81 0.11 -1.32 0.00 0.00 176.35 174.82 1ix2 h LYS 6 N 9.60 0.34 -2.77 1.98 1.57 -0.81 -3.48 116.57 123.01 1ix2 h LYS 6 Ca -0.27 -0.58 0.09 0.00 -1.87 0.00 0.00 60.65 58.01 1ix2 h LYS 6 Cb 1.11 0.22 -0.07 0.00 0.08 0.00 0.00 32.23 33.56 1ix2 h LYS 6 CO 1.03 1.28 0.32 -1.54 -0.57 0.00 0.00 179.45 179.97 1ix2 s SER 7 N -7.13 -0.28 0.03 0.86 1.04 -0.95 -5.03 113.70 102.22 1ix2 s SER 7 Ca -0.14 -0.43 -0.10 0.00 0.48 0.00 0.00 55.95 55.75 1ix2 s SER 7 Cb 0.03 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.78 1ix2 s SER 7 CO 0.84 -1.13 0.21 -0.94 0.98 0.00 0.00 173.24 173.20 1ix2 s SER 8 N -2.88 -0.01 -0.14 7.02 1.04 -1.26 -0.98 113.70 116.50 1ix2 s SER 8 Ca 0.10 -0.27 -0.03 0.00 0.48 0.00 0.00 55.95 56.23 1ix2 s SER 8 Cb -0.04 0.28 0.05 0.00 0.10 0.00 0.00 66.02 66.41 1ix2 s SER 8 CO 0.02 -0.51 0.05 -0.69 0.98 0.00 0.00 173.24 173.09 1ix2 s VAL 9 N -2.18 0.18 0.61 5.02 1.01 -0.45 -2.93 120.40 121.67 1ix2 s VAL 9 Ca -0.08 -0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 1ix2 s VAL 9 Cb -0.03 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 1ix2 s VAL 9 CO -0.02 -0.09 1.22 -2.65 0.00 0.00 0.00 175.10 173.56 1ix2 n PRO 10 N 5.19 1.20 -2.41 2.72 -0.02 -1.26 -0.57 135.00 139.84 1ix2 n PRO 10 Ca -0.07 0.46 -0.36 0.00 -2.02 0.00 0.00 63.50 61.51 1ix2 n PRO 10 Cb 0.49 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 1ix2 n PRO 10 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1ix2 s GLN 11 N -3.09 3.78 0.28 -0.52 0.74 -1.15 -4.95 119.66 114.75 1ix2 s GLN 11 Ca 0.78 1.56 -0.30 0.00 0.05 0.00 0.00 55.36 57.45 1ix2 s GLN 11 Cb -0.40 -2.26 -0.13 0.00 1.10 0.00 0.00 33.01 31.32 1ix2 s GLN 11 CO 0.44 -0.48 1.44 0.00 -0.55 0.00 0.00 175.29 176.14 1ix2 n ALA 12 N -0.70 1.59 -1.18 1.58 0.00 -1.26 -1.80 120.51 118.74 1ix2 n ALA 12 Ca 0.08 0.39 -0.06 0.00 0.00 0.00 0.00 53.44 53.85 1ix2 n ALA 12 Cb 0.50 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.60 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 1.87 -4.77 -4.93 0.00 8.00 0.21 -5.00 116.55 111.93 1ix2 n ASP 13 Ca 0.09 0.15 -0.26 0.00 0.71 0.00 0.00 54.79 55.49 1ix2 n ASP 13 Cb 0.34 -2.82 0.02 0.00 -0.02 0.00 0.00 41.12 38.63 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 -2.40 5.83 -0.21 -2.24 1.04 -0.75 -4.86 113.70 110.11 1ix2 s SER 14 Ca 0.00 0.62 0.01 0.00 0.48 0.00 0.00 55.95 57.06 1ix2 s SER 14 Cb 0.00 -1.78 0.05 0.00 0.10 0.00 0.00 66.02 64.39 1ix2 s SER 14 CO 0.00 -0.83 -0.07 0.00 0.98 0.00 0.00 173.24 173.32 1ix2 s ALA 15 N -2.79 1.91 0.27 5.32 0.00 -1.26 -0.53 121.76 124.69 1ix2 s ALA 15 Ca 0.50 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1ix2 s ALA 15 Cb -0.10 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 1ix2 s ALA 15 CO 0.43 -1.01 0.20 0.14 0.00 0.00 0.00 175.76 175.51 1ix2 s VAL 16 N 1.43 0.05 0.66 0.00 -7.23 -0.56 -4.89 120.40 109.85 1ix2 s VAL 16 Ca -0.03 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 57.98 1ix2 s VAL 16 Cb -0.17 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.27 1ix2 s VAL 16 CO -0.07 0.00 1.12 0.00 -0.31 0.00 0.00 175.10 175.84 1ix2 s ALA 17 N -3.78 2.43 -0.19 1.32 0.00 -1.26 -0.74 121.76 119.54 1ix2 s ALA 17 Ca 0.39 0.60 -0.39 0.00 0.00 0.00 0.00 51.96 52.57 1ix2 s ALA 17 Cb 0.05 -3.34 -0.15 0.00 0.00 0.00 0.00 23.12 19.68 1ix2 s ALA 17 CO 0.19 -1.33 1.71 0.00 0.00 0.00 0.00 175.76 176.33 1ix2 n ALA 18 N -2.40 -0.10 -1.80 0.00 0.00 -1.26 -4.83 120.51 110.12 1ix2 n ALA 18 Ca 0.11 0.39 -0.35 0.00 0.00 0.00 0.00 53.44 53.59 1ix2 n ALA 18 Cb 0.52 -2.25 -0.05 0.00 0.00 0.00 0.00 19.45 17.67 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 3.13 4.14 0.29 0.00 0.04 -1.26 -4.95 135.00 136.38 1ix2 s PRO 19 Ca 0.95 1.34 0.15 0.00 0.04 0.00 0.00 61.00 63.48 1ix2 s PRO 19 Cb -0.99 -2.35 0.27 0.00 0.04 0.00 0.00 34.50 31.46 1ix2 s PRO 19 CO 0.60 -0.14 1.53 0.93 0.04 0.00 0.00 177.00 179.97 1ix2 h GLU 20 N 2.17 0.00 -2.98 4.56 5.08 -1.97 -3.47 114.58 117.98 1ix2 h GLU 20 Ca -0.49 0.00 0.01 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 0.61 0.55 0.22 -1.59 -1.00 0.00 0.00 179.01 177.81 1ix2 s LYS 21 N -3.21 1.40 -0.18 2.33 0.00 -1.26 -4.48 119.74 114.35 1ix2 s LYS 21 Ca 0.02 -0.60 -0.02 0.00 0.00 0.00 0.00 55.97 55.36 1ix2 s LYS 21 Cb 0.10 0.59 -0.01 0.00 0.00 0.00 0.00 37.83 38.51 1ix2 s LYS 21 CO 0.74 -0.62 -0.09 0.42 0.00 0.00 0.00 175.35 175.80 1ix2 s ILE 22 N -3.78 3.16 -0.20 3.79 -1.09 0.16 -4.64 121.20 118.61 1ix2 s ILE 22 Ca 0.04 -0.59 -0.07 0.00 -2.23 0.00 0.00 60.65 57.80 1ix2 s ILE 22 Cb -0.02 -2.39 -0.04 0.00 -1.58 0.00 0.00 42.46 38.43 1ix2 s ILE 22 CO -0.08 0.47 0.06 -1.58 -1.23 0.00 0.00 174.94 172.59 1ix2 s GLN 23 N 1.00 3.89 -0.23 2.79 0.74 0.26 -0.13 119.66 127.98 1ix2 s GLN 23 Ca -0.01 -0.38 -0.02 0.00 0.05 0.00 0.00 55.36 55.00 1ix2 s GLN 23 Cb -0.15 -3.23 0.02 0.00 1.10 0.00 0.00 33.01 30.75 1ix2 s GLN 23 CO -0.01 0.16 -0.07 -0.51 -0.55 0.00 0.00 175.29 174.31 1ix2 s LEU 24 N 0.68 2.97 -0.22 3.68 1.43 -1.26 -1.34 118.68 124.62 1ix2 s LEU 24 Ca 0.03 -0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 52.37 1ix2 s LEU 24 Cb -0.13 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 1ix2 s LEU 24 CO 0.02 -0.08 0.00 0.20 0.23 0.00 0.00 176.35 176.72 1ix2 s ASN 25 N 1.36 4.69 0.41 2.29 0.01 -0.15 -4.32 114.94 119.24 1ix2 s ASN 25 Ca 0.02 -0.29 0.08 0.00 -0.71 0.00 0.00 52.86 51.96 1ix2 s ASN 25 Cb -0.15 -1.82 -0.02 0.00 0.41 0.00 0.00 41.25 39.67 1ix2 s ASN 25 CO -0.05 -0.00 0.39 -0.36 -1.51 0.00 0.00 177.10 175.56 1ix2 s PHE 26 N 1.40 2.73 -0.56 2.20 0.40 0.28 -0.12 117.98 124.30 1ix2 s PHE 26 Ca 0.05 -0.47 0.25 0.00 -0.60 0.00 0.00 56.93 56.16 1ix2 s PHE 26 Cb -0.15 -2.17 0.71 0.00 0.51 0.00 0.00 43.02 41.92 1ix2 s PHE 26 CO 0.00 -0.12 1.73 0.66 0.70 0.00 0.00 175.22 178.19 1ix2 h SER 27 N 1.01 0.00 -4.83 1.36 4.64 -1.37 -3.44 113.55 110.93 1ix2 h SER 27 Ca -0.41 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.68 1ix2 h SER 27 Cb 1.27 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.21 1ix2 h SER 27 CO 0.57 0.00 -0.67 -1.61 -0.87 0.00 0.00 176.83 174.25 1ix2 s GLU 28 N -3.19 0.94 0.17 4.77 2.02 -1.26 -4.99 118.70 117.16 1ix2 s GLU 28 Ca 0.08 -1.43 -0.32 0.00 0.02 0.00 0.00 54.97 53.33 1ix2 s GLU 28 Cb 0.09 -0.08 -0.10 0.00 0.10 0.00 0.00 34.13 34.14 1ix2 s GLU 28 CO 0.60 -0.13 1.59 -0.80 0.02 0.00 0.00 175.26 176.54 1ix2 s ASN 29 N -3.08 6.56 0.29 -0.19 0.01 -1.26 -4.52 114.94 112.74 1ix2 s ASN 29 Ca 0.19 2.65 -0.21 0.00 -0.71 0.00 0.00 52.86 54.78 1ix2 s ASN 29 Cb 0.06 -2.59 -0.09 0.00 0.41 0.00 0.00 41.25 39.04 1ix2 s ASN 29 CO -0.00 -0.84 0.82 -0.76 -1.51 0.00 0.00 177.10 174.80 1ix2 s LEU 30 N 1.13 4.27 -0.89 0.60 1.43 -0.54 -4.35 118.68 120.33 1ix2 s LEU 30 Ca 0.71 1.57 -0.10 0.00 -1.03 0.00 0.00 54.13 55.27 1ix2 s LEU 30 Cb -0.45 -3.88 0.23 0.00 0.03 0.00 0.00 46.19 42.12 1ix2 s LEU 30 CO 0.31 -0.07 0.83 -0.89 0.23 0.00 0.00 176.35 176.77 1ix2 s THR 31 N -1.67 5.42 0.42 5.49 2.01 0.41 -4.91 115.64 122.81 1ix2 s THR 31 Ca 0.49 -2.91 0.12 0.00 0.31 0.00 0.00 61.69 59.70 1ix2 s THR 31 Cb -0.16 -4.33 0.32 0.00 0.01 0.00 0.00 72.50 68.34 1ix2 s THR 31 CO 0.21 -1.06 1.97 0.58 -0.69 0.00 0.00 174.62 175.63 1ix2 h VAL 32 N 4.46 0.91 0.00 3.82 2.07 -1.93 -2.03 116.25 123.55 1ix2 h VAL 32 Ca 0.12 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1ix2 h VAL 32 Cb 0.97 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1ix2 h VAL 32 CO 0.83 0.09 -0.00 0.07 0.02 0.00 0.00 177.57 178.57 1ix2 h LYS 33 N 0.47 0.00 -0.04 1.57 2.10 -1.96 -1.03 116.57 117.68 1ix2 h LYS 33 Ca 0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.94 1ix2 h LYS 33 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 1ix2 h LYS 33 CO -0.09 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 178.56 1ix2 n PHE 34 N -3.11 0.03 -3.40 0.07 0.99 -0.78 -5.01 117.46 106.25 1ix2 n PHE 34 Ca -0.02 -0.03 -0.21 0.00 -0.00 0.00 0.00 57.45 57.19 1ix2 n PHE 34 Cb 0.11 -0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.59 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 -1.09 5.10 -0.06 4.37 0.01 -0.39 -4.61 113.70 117.02 1ix2 s SER 35 Ca 0.16 -0.80 -0.31 0.00 1.31 0.00 0.00 55.95 56.31 1ix2 s SER 35 Cb 0.11 -0.20 0.12 0.00 0.21 0.00 0.00 66.02 66.26 1ix2 s SER 35 CO 0.17 -0.92 1.36 -0.83 0.41 0.00 0.00 173.24 173.43 1ix2 s GLY 36 N -4.32 -0.32 0.02 3.44 0.00 -0.19 -4.97 107.32 100.99 1ix2 s GLY 36 Ca 0.50 0.46 -0.27 0.00 0.00 0.00 0.00 44.72 45.41 1ix2 s GLY 36 CO 0.30 3.46 0.73 0.00 0.00 0.00 0.00 173.10 177.60 1ix2 s ALA 37 N -2.08 -1.74 0.04 3.20 0.00 -1.26 -0.74 121.76 119.18 1ix2 s ALA 37 Ca 0.23 0.98 -0.01 0.00 0.00 0.00 0.00 51.96 53.17 1ix2 s ALA 37 Cb 0.03 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 1ix2 s ALA 37 CO -0.04 -0.58 -0.02 -1.59 0.00 0.00 0.00 175.76 173.53 1ix2 s LYS 38 N -2.53 0.52 -0.03 0.00 -2.85 0.36 -4.93 119.74 110.27 1ix2 s LYS 38 Ca -0.02 -1.01 0.05 0.00 -1.00 0.00 0.00 55.97 53.99 1ix2 s LYS 38 Cb -0.01 0.18 -0.01 0.00 -2.06 0.00 0.00 37.83 35.94 1ix2 s LYS 38 CO -0.03 -0.10 -0.19 -1.17 0.10 0.00 0.00 175.35 173.96 1ix2 s LEU 39 N -2.44 1.98 0.00 2.77 2.96 -1.26 -1.51 118.68 121.18 1ix2 s LEU 39 Ca -0.01 -0.38 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 1ix2 s LEU 39 Cb 0.02 -1.05 0.00 0.00 0.50 0.00 0.00 46.19 45.67 1ix2 s LEU 39 CO -0.07 0.20 0.00 0.41 -1.32 0.00 0.00 176.35 175.57 1ix2 n THR 40 N 2.91 0.00 -0.45 3.68 -1.04 -0.53 -0.97 114.28 117.88 1ix2 n THR 40 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 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 -3.88 12.58 -2.24 -0.01 -0.47 114.28 120.26 1ix2 n THR 42 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1ix2 n THR 42 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 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 0.21 -0.10 3.38 0.00 -1.11 -4.70 107.32 105.00 1ix2 s GLY 43 Ca 0.00 -0.58 -0.18 0.00 0.00 0.00 0.00 44.72 43.96 1ix2 s GLY 43 CO 0.00 -0.28 0.47 1.25 0.00 0.00 0.00 173.10 174.54 1ix2 s LYS 45 N -3.51 4.29 0.00 2.90 2.20 -1.26 -0.93 119.74 123.43 1ix2 s LYS 45 Ca 0.15 0.46 0.00 0.00 -0.36 0.00 0.00 55.97 56.22 1ix2 s LYS 45 Cb -0.05 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1ix2 s LYS 45 CO 0.09 0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.73 1ix2 n GLY 46 N 3.05 1.04 3.90 5.54 0.00 -1.26 -5.14 105.19 112.32 1ix2 n GLY 46 Ca -0.08 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 1ix2 n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ix2 s SER 48 N -2.33 5.78 0.00 1.61 1.04 -1.26 -5.25 113.70 113.28 1ix2 s SER 48 Ca 0.00 -0.20 0.27 0.00 0.48 0.00 0.00 55.95 56.50 1ix2 s SER 48 Cb 0.00 -1.40 0.89 0.00 0.10 0.00 0.00 66.02 65.61 1ix2 s SER 48 CO 0.00 -0.20 1.65 -1.20 0.98 0.00 0.00 173.24 174.47 1ix2 n SER 49 N -1.38 1.29 -0.43 7.02 7.64 -1.26 -4.11 113.62 122.39 1ix2 n SER 49 Ca -0.05 -1.21 0.08 0.00 1.01 0.00 0.00 58.87 58.70 1ix2 n SER 49 Cb 0.58 0.07 0.19 0.00 -1.01 0.00 0.00 64.21 64.03 1ix2 n SER 49 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ix2 n HIS 50 N -0.21 0.36 -3.25 1.43 8.25 -1.26 -4.79 115.22 115.75 1ix2 n HIS 50 Ca 0.16 -1.04 -0.25 0.00 -0.26 0.00 0.00 57.72 56.33 1ix2 n HIS 50 Cb 0.36 -0.23 -0.07 0.00 1.12 0.00 0.00 29.99 31.17 1ix2 n HIS 50 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1ix2 n SER 51 N -1.11 2.08 -3.65 0.41 3.41 -1.26 -5.24 113.62 108.27 1ix2 n SER 51 Ca 0.19 -3.12 0.00 0.00 -0.26 0.00 0.00 58.87 55.68 1ix2 n SER 51 Cb 0.75 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1ix2 n SER 51 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1ix2 n PRO 52 N 0.88 0.07 -4.33 4.33 -0.04 -1.26 -4.96 135.00 129.70 1ix2 n PRO 52 Ca 0.26 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.50 1ix2 n PRO 52 Cb 0.48 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.82 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 -0.96 1.06 -0.22 0.54 0.02 -1.26 -5.01 135.00 129.17 1ix2 s PRO 54 Ca 0.00 -1.01 -0.01 0.00 0.02 0.00 0.00 61.00 60.00 1ix2 s PRO 54 Cb 0.00 -1.19 0.02 0.00 0.02 0.00 0.00 34.50 33.35 1ix2 s PRO 54 CO 0.00 0.28 -0.10 0.08 -0.33 0.00 0.00 177.00 176.93 1ix2 s VAL 55 N -1.08 2.71 0.28 3.83 1.01 -0.14 -4.96 120.40 122.05 1ix2 s VAL 55 Ca 0.04 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 1ix2 s VAL 55 Cb -0.09 -2.29 -0.12 0.00 0.00 0.00 0.00 36.38 33.87 1ix2 s VAL 55 CO 0.03 0.33 1.49 0.00 0.00 0.00 0.00 175.10 176.95 1ix2 n ALA 56 N 4.67 1.87 -3.26 5.51 0.00 -1.26 -4.34 120.51 123.71 1ix2 n ALA 56 Ca -0.18 0.39 -0.10 0.00 0.00 0.00 0.00 53.44 53.54 1ix2 n ALA 56 Cb 0.48 -2.37 -0.04 0.00 0.00 0.00 0.00 19.45 17.53 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 -0.16 -1.02 0.06 0.00 0.00 -1.26 -0.29 121.76 119.08 1ix2 s ALA 57 Ca 0.64 -0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.59 1ix2 s ALA 57 Cb -0.56 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 1ix2 s ALA 57 CO 0.51 -0.77 -0.21 -1.59 0.00 0.00 0.00 175.76 173.71 1ix2 s LYS 58 N -3.84 1.28 -0.08 0.00 -2.85 -0.25 -4.87 119.74 109.13 1ix2 s LYS 58 Ca 0.07 -1.01 0.01 0.00 -1.00 0.00 0.00 55.97 54.04 1ix2 s LYS 58 Cb -0.00 -1.45 -0.03 0.00 -2.06 0.00 0.00 37.83 34.29 1ix2 s LYS 58 CO -0.06 0.36 -0.09 0.08 0.10 0.00 0.00 175.35 175.74 1ix2 s VAL 59 N -0.92 3.49 0.06 1.79 1.01 -1.26 -0.29 120.40 124.28 1ix2 s VAL 59 Ca 0.07 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1ix2 s VAL 59 Cb -0.09 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1ix2 s VAL 59 CO 0.03 0.58 -0.08 0.00 0.00 0.00 0.00 175.10 175.62 1ix2 s ALA 60 N -0.51 0.73 0.44 5.51 0.00 -0.35 -4.99 121.76 122.59 1ix2 s ALA 60 Ca 0.07 -0.96 -0.24 0.00 0.00 0.00 0.00 51.96 50.84 1ix2 s ALA 60 Cb -0.12 0.07 -0.08 0.00 0.00 0.00 0.00 23.12 23.00 1ix2 s ALA 60 CO 0.02 -0.08 1.20 -1.25 0.00 0.00 0.00 175.76 175.65 1ix2 s PRO 61 N -2.29 3.82 0.78 0.00 0.04 -1.26 -0.84 135.00 135.25 1ix2 s PRO 61 Ca -0.03 1.87 -0.10 0.00 0.04 0.00 0.00 61.00 62.78 1ix2 s PRO 61 Cb -0.05 -2.51 0.08 0.00 0.04 0.00 0.00 34.50 32.06 1ix2 s PRO 61 CO -0.01 -0.53 1.13 0.20 0.04 0.00 0.00 177.00 177.83 1ix2 s GLY 62 N -1.20 1.63 0.36 0.56 0.00 -0.24 -4.71 107.32 103.72 1ix2 s GLY 62 Ca 0.62 -0.76 0.08 0.00 0.00 0.00 0.00 44.72 44.66 1ix2 s GLY 62 CO 0.38 -0.29 1.86 0.00 0.00 0.00 0.00 173.10 175.05 1ix2 h ALA 63 N -0.92 1.41 -3.08 3.20 0.00 -1.95 -3.38 119.26 114.53 1ix2 h ALA 63 Ca -0.45 -0.25 -0.59 0.00 0.00 0.00 0.00 54.91 53.62 1ix2 h ALA 63 Cb 1.32 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 1ix2 h ALA 63 CO 0.63 0.41 -0.31 0.34 0.00 0.00 0.00 179.25 180.32 1ix2 s ASP 64 N -6.87 6.44 0.00 0.00 -1.08 -1.26 -4.97 116.67 108.93 1ix2 s ASP 64 Ca -0.05 0.51 0.09 0.00 -0.52 0.00 0.00 52.55 52.57 1ix2 s ASP 64 Cb 0.15 -2.19 0.45 0.00 -1.46 0.00 0.00 42.92 39.87 1ix2 s ASP 64 CO 0.74 0.08 1.13 -0.81 0.52 0.00 0.00 175.17 176.83 1ix2 n PRO 65 N 3.68 0.14 -0.20 4.34 -0.04 -1.26 -1.54 135.00 140.12 1ix2 n PRO 65 Ca -0.11 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.63 1ix2 n PRO 65 Cb 0.52 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.74 1ix2 n PRO 65 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ix2 n LYS 66 N -1.25 2.32 -1.03 0.54 5.02 -1.26 -1.47 118.16 121.02 1ix2 n LYS 66 Ca 0.04 -2.00 0.00 0.00 -2.02 0.00 0.00 58.31 54.33 1ix2 n LYS 66 Cb 0.06 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 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 1.19 0.79 -3.67 4.39 3.41 -0.59 -0.56 113.62 118.58 1ix2 n SER 67 Ca 0.19 -0.52 -0.14 0.00 -0.26 0.00 0.00 58.87 58.14 1ix2 n SER 67 Cb 0.52 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 1ix2 n SER 67 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1ix2 s VAL 69 N -0.93 0.01 -0.22 -3.33 -7.23 -0.02 -1.08 120.40 107.58 1ix2 s VAL 69 Ca 0.00 -0.05 -0.07 0.00 -1.81 0.00 0.00 61.98 60.05 1ix2 s VAL 69 Cb 0.00 -0.80 -0.03 0.00 0.56 0.00 0.00 36.38 36.11 1ix2 s VAL 69 CO 0.00 -0.03 0.06 -0.63 -0.31 0.00 0.00 175.10 174.19 1ix2 s ILE 70 N -0.10 4.40 -0.31 -0.62 1.01 0.82 -1.22 121.20 125.20 1ix2 s ILE 70 Ca -0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.43 1ix2 s ILE 70 Cb -0.03 -3.03 0.04 0.00 0.01 0.00 0.00 42.46 39.44 1ix2 s ILE 70 CO 0.03 0.38 0.04 -0.63 0.00 0.00 0.00 174.94 174.75 1ix2 s ILE 71 N 1.20 3.37 0.50 2.92 1.09 0.60 -0.67 121.20 130.21 1ix2 s ILE 71 Ca 0.04 -1.16 -0.23 0.00 -1.10 0.00 0.00 60.65 58.20 1ix2 s ILE 71 Cb -0.14 -2.87 -0.06 0.00 -1.06 0.00 0.00 42.46 38.32 1ix2 s ILE 71 CO 0.03 -0.07 1.35 -2.84 -0.10 0.00 0.00 174.94 173.31 1ix2 s PRO 72 N 1.34 3.43 0.00 2.79 0.02 -1.26 -1.09 135.00 140.23 1ix2 s PRO 72 Ca -0.02 2.23 0.23 0.00 0.02 0.00 0.00 61.00 63.45 1ix2 s PRO 72 Cb -0.19 -2.42 0.49 0.00 0.02 0.00 0.00 34.50 32.40 1ix2 s PRO 72 CO 0.00 -0.96 1.44 0.54 -0.33 0.00 0.00 177.00 177.70 1ix2 n ARG 73 N -0.64 2.54 -4.03 5.54 1.74 0.60 -4.85 116.66 117.55 1ix2 n ARG 73 Ca 0.08 -2.34 -0.08 0.00 -0.77 0.00 0.00 57.85 54.73 1ix2 n ARG 73 Cb 0.44 -1.53 -0.09 0.00 -1.02 0.00 0.00 32.46 30.27 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 -1.39 0.83 0.81 5.56 -1.05 -1.25 -4.98 118.70 117.22 1ix2 s GLU 74 Ca 0.41 -1.21 -0.11 0.00 -0.15 0.00 0.00 54.97 53.90 1ix2 s GLU 74 Cb 0.23 0.27 0.09 0.00 -0.44 0.00 0.00 34.13 34.28 1ix2 s GLU 74 CO 0.32 -0.23 1.13 -2.14 0.95 0.00 0.00 175.26 175.29 1ix2 s PRO 75 N -3.95 1.78 -0.42 -4.83 0.02 -1.26 -4.99 135.00 121.35 1ix2 s PRO 75 Ca 0.13 1.43 -0.02 0.00 0.02 0.00 0.00 61.00 62.56 1ix2 s PRO 75 Cb 0.06 -1.82 0.11 0.00 0.02 0.00 0.00 34.50 32.87 1ix2 s PRO 75 CO -0.06 -2.04 0.20 -0.51 -0.33 0.00 0.00 177.00 174.26 1ix2 s LEU 76 N -6.00 5.17 0.91 -5.54 1.43 -1.26 -5.10 118.68 108.29 1ix2 s LEU 76 Ca 0.66 -2.13 -0.10 0.00 -1.03 0.00 0.00 54.13 51.53 1ix2 s LEU 76 Cb -0.21 -1.80 0.14 0.00 0.03 0.00 0.00 46.19 44.35 1ix2 s LEU 76 CO 0.54 -0.50 1.13 -2.84 0.23 0.00 0.00 176.35 174.90 1ix2 s PRO 77 N 0.99 1.09 0.32 1.29 0.02 -1.26 -4.78 135.00 132.67 1ix2 s PRO 77 Ca 0.09 1.40 -0.29 0.00 0.02 0.00 0.00 61.00 62.22 1ix2 s PRO 77 Cb -0.22 -1.75 -0.11 0.00 0.02 0.00 0.00 34.50 32.44 1ix2 s PRO 77 CO -0.05 -2.53 1.56 0.00 -0.33 0.00 0.00 177.00 175.65 1ix2 s ALA 78 N -2.69 3.69 0.00 -1.55 0.00 -1.26 -4.77 121.76 115.17 1ix2 s ALA 78 Ca 0.66 1.57 0.00 0.00 0.00 0.00 0.00 51.96 54.19 1ix2 s ALA 78 Cb -0.22 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1ix2 s ALA 78 CO 0.58 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1ix2 n GLY 79 N 1.60 -1.20 3.57 0.00 0.00 -0.49 -4.55 105.19 104.12 1ix2 n GLY 79 Ca 0.06 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.00 3.98 0.12 2.61 2.01 -0.10 -0.47 115.64 120.79 1ix2 s THR 80 Ca 0.00 -0.35 0.08 0.00 0.31 0.00 0.00 61.69 61.73 1ix2 s THR 80 Cb 0.00 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 1ix2 s THR 80 CO 0.00 0.55 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.97 1ix2 s TYR 81 N -0.25 1.74 -0.07 4.92 1.51 0.08 -0.83 117.35 124.45 1ix2 s TYR 81 Ca 0.05 -0.44 0.04 0.00 -1.01 0.00 0.00 57.07 55.70 1ix2 s TYR 81 Cb -0.13 -0.92 0.00 0.00 -0.11 0.00 0.00 41.96 40.80 1ix2 s TYR 81 CO 0.02 0.23 -0.18 0.50 -1.11 0.00 0.00 175.55 175.01 1ix2 s ARG 82 N -2.20 2.22 -0.19 -0.62 3.52 0.38 -1.51 118.95 120.55 1ix2 s ARG 82 Ca 0.09 -0.65 -0.06 0.00 -0.13 0.00 0.00 55.73 54.98 1ix2 s ARG 82 Cb -0.08 -1.79 -0.03 0.00 -1.56 0.00 0.00 34.95 31.49 1ix2 s ARG 82 CO 0.05 0.15 0.02 0.08 -0.81 0.00 0.00 175.30 174.79 1ix2 s VAL 83 N 0.36 4.25 -0.14 7.11 1.01 0.44 -1.45 120.40 131.98 1ix2 s VAL 83 Ca -0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 1ix2 s VAL 83 Cb -0.15 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 1ix2 s VAL 83 CO 0.05 0.44 -0.13 -1.81 0.00 0.00 0.00 175.10 173.64 1ix2 s ASP 84 N 0.77 3.95 0.14 3.32 1.01 -0.57 -1.73 116.67 123.56 1ix2 s ASP 84 Ca 0.01 -0.36 0.05 0.00 0.71 0.00 0.00 52.55 52.97 1ix2 s ASP 84 Cb -0.14 -1.60 -0.04 0.00 1.01 0.00 0.00 42.92 42.15 1ix2 s ASP 84 CO 0.02 0.15 -0.12 -1.66 0.21 0.00 0.00 175.17 173.77 1ix2 s TRP 85 N 0.46 1.30 -0.09 4.23 1.48 -0.36 -0.49 118.94 125.47 1ix2 s TRP 85 Ca -0.10 -0.67 -0.02 0.00 -1.06 0.00 0.00 56.10 54.25 1ix2 s TRP 85 Cb -0.16 -0.67 0.03 0.00 -1.16 0.00 0.00 33.47 31.52 1ix2 s TRP 85 CO 0.05 0.11 0.02 0.50 -4.06 0.00 0.00 176.95 173.56 1ix2 s ARG 86 N -3.29 0.54 -0.06 3.25 3.52 0.08 -1.93 118.95 121.06 1ix2 s ARG 86 Ca 0.13 0.03 0.05 0.00 -0.13 0.00 0.00 55.73 55.81 1ix2 s ARG 86 Cb -0.01 -1.17 -0.02 0.00 -1.56 0.00 0.00 34.95 32.20 1ix2 s ARG 86 CO 0.02 -0.38 -0.21 0.00 -0.81 0.00 0.00 175.30 173.92 1ix2 s ALA 87 N 1.98 2.37 -0.02 6.12 0.00 0.89 -1.02 121.76 132.09 1ix2 s ALA 87 Ca 0.04 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1ix2 s ALA 87 Cb -0.13 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.19 1ix2 s ALA 87 CO -0.06 0.46 -0.08 0.08 0.00 0.00 0.00 175.76 176.17 1ix2 s VAL 88 N -0.38 0.64 0.01 0.00 1.01 -1.26 -1.11 120.40 119.31 1ix2 s VAL 88 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1ix2 s VAL 88 Cb -0.12 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.69 1ix2 s VAL 88 CO 0.02 0.20 0.00 -1.54 0.00 0.00 0.00 175.10 173.78 1ix2 n SER 89 N 3.17 1.36 0.30 3.32 3.41 -1.26 -0.44 113.62 123.47 1ix2 n SER 89 Ca -0.16 -1.03 0.19 0.00 -0.26 0.00 0.00 58.87 57.60 1ix2 n SER 89 Cb 0.55 0.00 0.99 0.00 -0.26 0.00 0.00 64.21 65.49 1ix2 n SER 89 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ix2 h SER 90 N 0.01 0.00 0.93 4.04 0.02 -1.94 0.66 113.55 117.27 1ix2 h SER 90 Ca -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1ix2 h SER 90 Cb 0.02 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 1ix2 h SER 90 CO 0.01 0.00 -0.01 -0.78 -1.14 0.00 0.00 176.83 174.91 1ix2 h ASP 91 N 0.00 0.00 -5.07 3.07 1.82 -1.96 -3.47 116.42 110.82 1ix2 h ASP 91 Ca 0.03 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.34 1ix2 h ASP 91 Cb 0.30 0.00 0.12 0.00 0.68 0.00 0.00 39.33 40.43 1ix2 h ASP 91 CO -0.00 0.01 -0.58 0.41 -1.61 0.00 0.00 179.24 177.47 1ix2 n THR 92 N -3.10 -2.82 -3.93 2.25 -1.04 0.22 -5.00 114.28 100.87 1ix2 n THR 92 Ca 0.00 -0.05 -0.31 0.00 -2.04 0.00 0.00 64.05 61.66 1ix2 n THR 92 Cb 0.29 -3.72 -0.15 0.00 -1.82 0.00 0.00 70.33 64.93 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 -3.27 3.02 0.21 -1.42 5.04 -1.26 -5.01 115.29 112.60 1ix2 s HIS 93 Ca 0.44 -2.50 -0.32 0.00 -1.54 0.00 0.00 55.06 51.13 1ix2 s HIS 93 Cb -0.19 -2.42 -0.13 0.00 0.04 0.00 0.00 32.58 29.88 1ix2 s HIS 93 CO 0.61 -0.91 1.55 -2.30 -2.34 0.00 0.00 174.74 171.35 1ix2 n PRO 94 N 4.47 2.29 -4.76 2.88 -0.02 -1.26 -4.63 135.00 133.97 1ix2 n PRO 94 Ca 0.00 0.82 -0.26 0.00 -2.02 0.00 0.00 63.50 62.04 1ix2 n PRO 94 Cb 0.42 -2.57 -0.16 0.00 -0.02 0.00 0.00 33.50 31.17 1ix2 n PRO 94 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ix2 s ILE 95 N 0.49 1.37 0.23 4.25 1.01 -0.26 -4.98 121.20 123.30 1ix2 s ILE 95 Ca 0.72 -0.64 0.11 0.00 0.00 0.00 0.00 60.65 60.85 1ix2 s ILE 95 Cb -0.62 -1.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 1ix2 s ILE 95 CO 0.43 0.40 -0.21 0.42 0.00 0.00 0.00 174.94 175.98 1ix2 s THR 96 N 0.40 2.31 0.24 2.92 -4.23 -1.26 -0.07 115.64 115.95 1ix2 s THR 96 Ca -0.12 -2.20 -0.20 0.00 -1.18 0.00 0.00 61.69 57.99 1ix2 s THR 96 Cb -0.15 -2.17 0.07 0.00 1.34 0.00 0.00 72.50 71.60 1ix2 s THR 96 CO 0.04 -0.29 0.95 -0.83 -0.54 0.00 0.00 174.62 173.95 1ix2 s GLY 97 N -3.08 0.15 0.20 3.99 0.00 -0.81 -5.01 107.32 102.76 1ix2 s GLY 97 Ca 0.24 -0.42 -0.22 0.00 0.00 0.00 0.00 44.72 44.33 1ix2 s GLY 97 CO 0.12 1.37 0.64 0.54 0.00 0.00 0.00 173.10 175.77 1ix2 s ASN 98 N -3.26 -0.46 0.15 1.64 2.20 -1.26 -1.22 114.94 112.73 1ix2 s ASN 98 Ca 0.19 -0.22 -0.24 0.00 -0.94 0.00 0.00 52.86 51.64 1ix2 s ASN 98 Cb -0.03 0.65 0.07 0.00 -2.00 0.00 0.00 41.25 39.93 1ix2 s ASN 98 CO 0.07 -1.11 0.72 -0.72 -2.94 0.00 0.00 177.10 173.12 1ix2 s TYR 99 N -3.81 -0.39 0.16 1.54 -0.85 -0.70 -4.98 117.35 108.31 1ix2 s TYR 99 Ca 0.05 0.15 0.11 0.00 -0.52 0.00 0.00 57.07 56.85 1ix2 s TYR 99 Cb -0.03 0.59 -0.04 0.00 0.38 0.00 0.00 41.96 42.86 1ix2 s TYR 99 CO -0.06 -0.85 -0.25 0.99 -1.52 0.00 0.00 175.55 173.86 1ix2 s THR 100 N -3.60 2.27 0.13 -3.49 2.01 -1.26 -0.42 115.64 111.29 1ix2 s THR 100 Ca 0.05 -1.88 -0.13 0.00 0.31 0.00 0.00 61.69 60.03 1ix2 s THR 100 Cb -0.02 -2.04 0.02 0.00 0.01 0.00 0.00 72.50 70.47 1ix2 s THR 100 CO -0.07 -0.02 0.35 0.72 -0.69 0.00 0.00 174.62 174.91 1ix2 s PHE 101 N -1.37 -0.01 0.05 4.92 -0.71 -0.57 0.65 117.98 120.94 1ix2 s PHE 101 Ca 0.17 -0.35 0.08 0.00 -1.04 0.00 0.00 56.93 55.80 1ix2 s PHE 101 Cb -0.09 0.16 -0.03 0.00 -1.21 0.00 0.00 43.02 41.85 1ix2 s PHE 101 CO 0.08 -0.70 -0.23 0.99 -1.34 0.00 0.00 175.22 174.02 1ix2 s THR 102 N -3.85 2.45 -0.19 -4.49 2.01 0.31 -0.74 115.64 111.14 1ix2 s THR 102 Ca 0.07 -1.31 -0.06 0.00 0.31 0.00 0.00 61.69 60.69 1ix2 s THR 102 Cb 0.02 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 1ix2 s THR 102 CO -0.08 0.34 0.03 -0.69 -0.69 0.00 0.00 174.62 173.52 1ix2 s VAL 103 N -0.87 4.34 -1.46 3.82 1.01 0.38 -1.50 120.40 126.12 1ix2 s VAL 103 Ca 0.13 -0.19 0.12 0.00 0.00 0.00 0.00 61.98 62.04 1ix2 s VAL 103 Cb -0.10 -2.96 0.09 0.00 0.00 0.00 0.00 36.38 33.41 1ix2 s VAL 103 CO 0.04 0.44 0.87 2.29 0.00 0.00 0.00 175.10 178.74