#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eae s LYS 6 N 0.00 1.40 0.33 -1.08 0.00 -1.26 -5.09 119.74 114.03 3eae s LYS 6 Ca 0.00 -1.61 -0.29 0.00 0.00 0.00 0.00 55.97 54.07 3eae s LYS 6 Cb 0.00 -1.28 -0.11 0.00 0.00 0.00 0.00 37.83 36.45 3eae s LYS 6 CO 0.00 0.22 1.44 -2.14 0.00 0.00 0.00 175.35 174.87 3eae s PRO 7 N -3.53 4.21 0.00 1.78 0.02 -1.26 -2.33 135.00 133.89 3eae s PRO 7 Ca 0.23 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.68 3eae s PRO 7 Cb -0.02 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.47 3eae s PRO 7 CO 0.08 -0.43 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 3eae n GLY 8 N 1.05 3.36 3.72 0.52 0.00 0.21 -4.98 105.19 109.06 3eae n GLY 8 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3eae n GLY 8 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3eae n ASP 9 N 0.02 3.22 -4.84 1.61 8.00 -0.98 -4.73 116.55 118.84 3eae n ASP 9 Ca 0.00 1.18 -0.38 0.00 0.71 0.00 0.00 54.79 56.30 3eae n ASP 9 Cb 0.00 -1.52 -0.06 0.00 -0.02 0.00 0.00 41.12 39.52 3eae n ASP 9 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3eae s LEU 10 N -0.84 4.47 0.20 0.64 1.43 -1.26 -1.62 118.68 121.70 3eae s LEU 10 Ca 0.60 0.95 -0.11 0.00 -1.03 0.00 0.00 54.13 54.55 3eae s LEU 10 Cb -0.55 -2.60 -0.01 0.00 0.03 0.00 0.00 46.19 43.06 3eae s LEU 10 CO 0.57 0.32 0.36 0.68 0.23 0.00 0.00 176.35 178.51 3eae s VAL 11 N -1.10 0.03 -0.09 -1.59 -7.23 -0.66 -1.88 120.40 107.89 3eae s VAL 11 Ca 0.24 -1.38 -0.04 0.00 -1.81 0.00 0.00 61.98 58.99 3eae s VAL 11 Cb -0.16 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 3eae s VAL 11 CO 0.14 -0.15 0.09 -0.36 -0.31 0.00 0.00 175.10 174.51 3eae s PHE 12 N -3.99 3.42 -0.09 2.82 0.08 0.90 -0.73 117.98 120.38 3eae s PHE 12 Ca 0.20 0.37 0.03 0.00 0.12 0.00 0.00 56.93 57.65 3eae s PHE 12 Cb 0.02 -1.86 0.01 0.00 -0.57 0.00 0.00 43.02 40.62 3eae s PHE 12 CO 0.04 0.62 -0.18 0.00 -0.10 0.00 0.00 175.22 175.61 3eae s ALA 13 N -1.02 1.72 -0.17 5.36 0.00 -0.09 -0.74 121.76 126.82 3eae s ALA 13 Ca 0.16 -0.70 -0.06 0.00 0.00 0.00 0.00 51.96 51.36 3eae s ALA 13 Cb -0.12 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 3eae s ALA 13 CO 0.06 0.14 0.03 0.21 0.00 0.00 0.00 175.76 176.20 3eae s LYS 14 N 0.60 3.85 0.06 0.00 2.47 0.89 -1.60 119.74 126.01 3eae s LYS 14 Ca -0.15 -0.40 0.04 0.00 -1.56 0.00 0.00 55.97 53.90 3eae s LYS 14 Cb -0.16 -3.10 -0.03 0.00 -1.46 0.00 0.00 37.83 33.08 3eae s LYS 14 CO 0.05 0.28 -0.11 -1.64 0.16 0.00 0.00 175.35 174.09 3eae s MET 15 N 0.31 0.67 0.13 4.03 -1.94 -1.26 -4.79 119.30 116.45 3eae s MET 15 Ca 0.01 -0.86 -0.32 0.00 -1.71 0.00 0.00 55.69 52.80 3eae s MET 15 Cb -0.13 -0.54 -0.12 0.00 2.01 0.00 0.00 34.83 36.05 3eae s MET 15 CO 0.01 0.11 1.75 0.36 -0.01 0.00 0.00 175.02 177.24 3eae n LYS 16 N 1.34 2.56 -0.97 2.03 0.00 -1.26 -2.31 118.16 119.55 3eae n LYS 16 Ca -0.22 0.93 0.00 0.00 -0.00 0.00 0.00 58.31 59.02 3eae n LYS 16 Cb 0.54 -2.77 0.00 0.00 -0.00 0.00 0.00 35.03 32.80 3eae n LYS 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3eae n GLY 17 N 3.97 0.47 3.03 2.58 0.00 -1.26 -5.05 105.19 108.93 3eae n GLY 17 Ca 0.18 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 3eae n GLY 17 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3eae s TYR 18 N -2.00 0.49 0.79 1.61 2.02 -0.98 -5.16 117.35 114.12 3eae s TYR 18 Ca 0.00 -0.53 -0.11 0.00 -0.37 0.00 0.00 57.07 56.06 3eae s TYR 18 Cb 0.00 -0.31 0.07 0.00 -0.40 0.00 0.00 41.96 41.32 3eae s TYR 18 CO 0.00 -0.14 1.09 -1.25 -1.57 0.00 0.00 175.55 173.68 3eae s PRO 19 N -1.61 2.14 0.01 -1.71 0.04 -1.26 -4.43 135.00 128.17 3eae s PRO 19 Ca -0.12 1.10 -0.35 0.00 0.04 0.00 0.00 61.00 61.67 3eae s PRO 19 Cb -0.09 -1.89 -0.13 0.00 0.04 0.00 0.00 34.50 32.43 3eae s PRO 19 CO -0.01 -1.71 1.71 0.72 0.04 0.00 0.00 177.00 177.76 3eae n HIS 20 N -3.56 2.22 -5.09 0.56 8.25 -1.26 -4.71 115.22 111.64 3eae n HIS 20 Ca 0.09 0.19 -0.32 0.00 -0.26 0.00 0.00 57.72 57.41 3eae n HIS 20 Cb 0.53 -2.58 -0.16 0.00 1.12 0.00 0.00 29.99 28.91 3eae n HIS 20 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 3eae s TRP 21 N 2.52 2.63 0.30 4.41 -0.11 -0.63 -4.83 118.94 123.24 3eae s TRP 21 Ca 0.87 -0.90 -0.29 0.00 1.22 0.00 0.00 56.10 57.00 3eae s TRP 21 Cb -0.74 -1.74 -0.11 0.00 -1.50 0.00 0.00 33.47 29.39 3eae s TRP 21 CO 0.47 -0.34 1.47 -1.25 -4.62 0.00 0.00 176.95 172.68 3eae s PRO 22 N 0.30 4.22 0.38 5.86 0.04 -1.26 -0.91 135.00 143.62 3eae s PRO 22 Ca -0.15 2.41 -0.16 0.00 0.04 0.00 0.00 61.00 63.13 3eae s PRO 22 Cb -0.17 -3.05 0.05 0.00 0.04 0.00 0.00 34.50 31.37 3eae s PRO 22 CO 0.08 -0.46 0.79 0.00 0.04 0.00 0.00 177.00 177.45 3eae s ALA 23 N -0.40 -0.78 0.06 8.56 0.00 0.09 -2.00 121.76 127.29 3eae s ALA 23 Ca 0.57 -0.72 -0.13 0.00 0.00 0.00 0.00 51.96 51.68 3eae s ALA 23 Cb -0.44 0.68 0.02 0.00 0.00 0.00 0.00 23.12 23.38 3eae s ALA 23 CO 0.50 -0.99 0.28 -0.98 0.00 0.00 0.00 175.76 174.57 3eae s ARG 24 N -2.40 0.84 -0.06 0.00 1.70 -0.06 -1.66 118.95 117.32 3eae s ARG 24 Ca 0.15 -0.64 -0.27 0.00 -0.47 0.00 0.00 55.73 54.50 3eae s ARG 24 Cb -0.05 0.36 -0.03 0.00 -0.57 0.00 0.00 34.95 34.66 3eae s ARG 24 CO 0.11 -0.28 0.88 0.42 -1.08 0.00 0.00 175.30 175.35 3eae s ILE 25 N -2.99 4.92 0.00 4.99 1.01 -0.64 -0.70 121.20 127.79 3eae s ILE 25 Ca -0.02 1.81 0.00 0.00 0.00 0.00 0.00 60.65 62.44 3eae s ILE 25 Cb 0.01 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.27 3eae s ILE 25 CO -0.06 0.15 0.00 0.47 0.00 0.00 0.00 174.94 175.50 3eae n ASP 26 N 4.19 0.42 -3.44 3.58 8.00 -0.43 0.63 116.55 129.50 3eae n ASP 26 Ca 0.04 -0.19 -0.21 0.00 0.71 0.00 0.00 54.79 55.14 3eae n ASP 26 Cb 0.50 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.49 3eae n ASP 26 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3eae s ASP 27 N -0.66 2.24 0.17 -2.24 2.15 -1.26 -4.54 116.67 112.53 3eae s ASP 27 Ca 0.00 -1.07 0.14 0.00 0.43 0.00 0.00 52.55 52.05 3eae s ASP 27 Cb 0.00 0.21 0.54 0.00 -0.30 0.00 0.00 42.92 43.37 3eae s ASP 27 CO 0.00 -0.39 0.51 1.17 -0.17 0.00 0.00 175.17 176.29 3eae n LYS 39 N 5.12 -0.00 -4.92 4.34 4.81 -1.22 -5.06 118.16 121.22 3eae n LYS 39 Ca -0.01 0.37 -0.33 0.00 -0.87 0.00 0.00 58.31 57.48 3eae n LYS 39 Cb 0.44 -0.81 -0.14 0.00 0.02 0.00 0.00 35.03 34.55 3eae n LYS 39 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3eae s TYR 40 N -3.79 2.69 -0.23 5.64 2.02 -0.36 -4.95 117.35 118.35 3eae s TYR 40 Ca -0.02 -0.28 -0.29 0.00 -0.37 0.00 0.00 57.07 56.11 3eae s TYR 40 Cb 0.09 -1.66 0.00 0.00 -0.40 0.00 0.00 41.96 40.00 3eae s TYR 40 CO 0.28 0.09 1.18 -1.25 -1.57 0.00 0.00 175.55 174.28 3eae s PRO 41 N -0.51 4.15 -0.17 -1.71 0.04 -1.26 -1.76 135.00 133.77 3eae s PRO 41 Ca 0.07 1.40 -0.01 0.00 0.04 0.00 0.00 61.00 62.50 3eae s PRO 41 Cb -0.12 -3.75 -0.00 0.00 0.04 0.00 0.00 34.50 30.67 3eae s PRO 41 CO 0.01 -0.81 -0.13 0.42 0.04 0.00 0.00 177.00 176.54 3eae s ILE 42 N 3.63 2.82 -0.25 0.56 -1.09 0.45 -1.31 121.20 126.01 3eae s ILE 42 Ca 0.51 -0.71 -0.10 0.00 -2.23 0.00 0.00 60.65 58.12 3eae s ILE 42 Cb -0.17 -2.21 -0.05 0.00 -1.58 0.00 0.00 42.46 38.45 3eae s ILE 42 CO 0.14 0.50 0.15 0.12 -1.23 0.00 0.00 174.94 174.62 3eae s PHE 43 N 0.98 3.24 -0.08 3.97 5.36 0.12 -0.96 117.98 130.61 3eae s PHE 43 Ca -0.02 0.08 -0.16 0.00 -0.96 0.00 0.00 56.93 55.87 3eae s PHE 43 Cb -0.15 -2.28 -0.05 0.00 -0.34 0.00 0.00 43.02 40.20 3eae s PHE 43 CO -0.02 -0.06 0.43 -0.06 -1.46 0.00 0.00 175.22 174.05 3eae s PHE 44 N 1.30 3.59 0.51 10.12 0.08 -0.09 -0.88 117.98 132.61 3eae s PHE 44 Ca 0.07 0.90 -0.19 0.00 0.12 0.00 0.00 56.93 57.82 3eae s PHE 44 Cb -0.14 -2.43 -0.07 0.00 -0.57 0.00 0.00 43.02 39.80 3eae s PHE 44 CO 0.06 0.35 1.05 -0.06 -0.10 0.00 0.00 175.22 176.52 3eae s PHE 45 N -0.03 2.97 0.00 0.36 0.08 -0.85 -1.11 117.98 119.41 3eae s PHE 45 Ca 0.24 1.56 0.00 0.00 0.12 0.00 0.00 56.93 58.85 3eae s PHE 45 Cb -0.15 -3.07 0.00 0.00 -0.57 0.00 0.00 43.02 39.22 3eae s PHE 45 CO 0.11 -0.95 0.00 0.41 -0.10 0.00 0.00 175.22 174.69 3eae n GLY 46 N -0.36 2.34 0.10 4.36 0.00 -1.26 -4.34 105.19 106.04 3eae n GLY 46 Ca 0.09 -0.45 0.06 0.00 0.00 0.00 0.00 46.02 45.72 3eae n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3eae n THR 47 N 0.00 0.87 -2.73 2.61 -2.24 -1.26 -4.82 114.28 106.71 3eae n THR 47 Ca 0.00 -0.62 -0.21 0.00 -2.27 0.00 0.00 64.05 60.95 3eae n THR 47 Cb 0.00 -0.51 0.01 0.00 -2.10 0.00 0.00 70.33 67.73 3eae n THR 47 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3eae n HIS 48 N -2.76 -1.51 -3.92 4.78 -0.00 -0.26 -4.99 115.22 106.56 3eae n HIS 48 Ca -0.05 0.26 -0.22 0.00 -0.00 0.00 0.00 57.72 57.70 3eae n HIS 48 Cb 0.70 -4.06 -0.02 0.00 -0.00 0.00 0.00 29.99 26.60 3eae n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3eae s GLU 49 N -5.39 3.45 0.07 -0.41 2.02 -1.24 -4.86 118.70 112.34 3eae s GLU 49 Ca 0.16 -0.69 0.08 0.00 0.02 0.00 0.00 54.97 54.54 3eae s GLU 49 Cb -0.07 -2.89 -0.03 0.00 0.10 0.00 0.00 34.13 31.24 3eae s GLU 49 CO 0.19 0.43 -0.23 0.99 0.02 0.00 0.00 175.26 176.66 3eae s THR 50 N -1.96 1.85 0.07 3.63 2.01 -1.26 -0.91 115.64 119.07 3eae s THR 50 Ca 0.35 -1.39 -0.16 0.00 0.31 0.00 0.00 61.69 60.79 3eae s THR 50 Cb -0.09 -1.63 0.03 0.00 0.01 0.00 0.00 72.50 70.82 3eae s THR 50 CO 0.29 0.16 0.37 0.00 -0.69 0.00 0.00 174.62 174.76 3eae s ALA 51 N -0.92 -0.87 -0.28 7.40 0.00 -0.13 -4.98 121.76 121.97 3eae s ALA 51 Ca 0.09 0.08 -0.10 0.00 0.00 0.00 0.00 51.96 52.04 3eae s ALA 51 Cb -0.09 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 3eae s ALA 51 CO 0.03 -0.51 0.15 -0.06 0.00 0.00 0.00 175.76 175.38 3eae s PHE 52 N -2.97 3.17 0.07 0.00 0.08 -1.26 -0.41 117.98 116.66 3eae s PHE 52 Ca -0.02 -0.21 0.05 0.00 0.12 0.00 0.00 56.93 56.87 3eae s PHE 52 Cb 0.00 -2.34 -0.03 0.00 -0.57 0.00 0.00 43.02 40.08 3eae s PHE 52 CO -0.06 -0.30 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.10 3eae s LEU 53 N 1.68 2.25 0.54 -0.37 1.43 -0.73 -4.74 118.68 118.75 3eae s LEU 53 Ca 0.06 -0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 52.56 3eae s LEU 53 Cb -0.16 -0.57 0.01 0.00 0.03 0.00 0.00 46.19 45.50 3eae s LEU 53 CO 0.08 -0.03 0.80 -0.83 0.23 0.00 0.00 176.35 176.60 3eae s GLY 54 N -1.59 1.63 0.59 -3.19 0.00 -1.26 -1.23 107.32 102.27 3eae s GLY 54 Ca -0.00 -0.95 0.29 0.00 0.00 0.00 0.00 44.72 44.05 3eae s GLY 54 CO 0.02 -0.70 1.93 -2.55 0.00 0.00 0.00 173.10 171.80 3eae h PRO 55 N 0.04 0.00 0.00 2.90 0.11 -1.99 -1.72 132.00 131.34 3eae h PRO 55 Ca -0.45 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.54 3eae h PRO 55 Cb 1.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3eae h PRO 55 CO 0.58 0.00 -0.56 0.87 -0.21 0.00 0.00 178.00 178.68 3eae h LYS 56 N 0.00 0.00 -0.27 1.05 6.56 -2.01 -2.92 116.57 118.97 3eae h LYS 56 Ca 0.20 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.79 3eae h LYS 56 Cb 1.07 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.73 3eae h LYS 56 CO -0.00 0.56 0.00 -0.25 -2.06 0.00 0.00 179.45 177.70 3eae n ASP 57 N -3.74 1.90 -4.25 0.86 8.00 -0.65 -4.88 116.55 113.80 3eae n ASP 57 Ca -0.01 -1.85 -0.33 0.00 0.71 0.00 0.00 54.79 53.31 3eae n ASP 57 Cb 0.59 -0.18 -0.16 0.00 -0.02 0.00 0.00 41.12 41.36 3eae n ASP 57 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3eae s LEU 58 N -1.30 2.36 -0.17 0.64 1.43 -1.11 -0.07 118.68 120.46 3eae s LEU 58 Ca 0.29 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 52.89 3eae s LEU 58 Cb 0.16 -1.52 0.04 0.00 0.03 0.00 0.00 46.19 44.90 3eae s LEU 58 CO 0.22 0.10 -0.06 -0.36 0.23 0.00 0.00 176.35 176.48 3eae s PHE 59 N 0.70 1.85 0.22 0.29 0.08 0.08 -4.99 117.98 116.22 3eae s PHE 59 Ca -0.08 -1.19 -0.31 0.00 0.12 0.00 0.00 56.93 55.46 3eae s PHE 59 Cb -0.16 -1.38 -0.14 0.00 -0.57 0.00 0.00 43.02 40.76 3eae s PHE 59 CO 0.01 -0.64 1.25 -2.30 -0.10 0.00 0.00 175.22 173.44 3eae n PRO 60 N 4.83 1.60 0.45 0.24 -0.02 -1.26 -0.07 135.00 140.77 3eae n PRO 60 Ca -0.12 0.57 -0.20 0.00 -2.02 0.00 0.00 63.50 61.73 3eae n PRO 60 Cb 0.47 -2.12 -0.10 0.00 -0.02 0.00 0.00 33.50 31.74 3eae n PRO 60 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3eae h TYR 61 N 3.50 -1.22 -0.74 6.00 3.20 -1.65 -2.12 116.97 123.94 3eae h TYR 61 Ca -0.44 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 61.55 3eae h TYR 61 Cb 1.31 0.42 -0.09 0.00 1.54 0.00 0.00 36.73 39.91 3eae h TYR 61 CO 0.54 -0.71 0.29 -0.44 -1.64 0.00 0.00 178.16 176.20 3eae h ASP 62 N -1.19 0.28 0.74 -2.11 5.19 -1.91 -0.00 116.42 117.41 3eae h ASP 62 Ca -0.11 0.10 -0.08 0.00 -0.62 0.00 0.00 57.03 56.32 3eae h ASP 62 Cb 0.94 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.52 3eae h ASP 62 CO 0.14 0.11 -0.40 0.11 -3.12 0.00 0.00 179.24 176.08 3eae h LYS 63 N 0.44 0.00 -0.00 3.56 6.56 -1.92 -3.37 116.57 121.84 3eae h LYS 63 Ca 0.40 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.99 3eae h LYS 63 Cb 0.59 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.25 3eae h LYS 63 CO -0.39 0.40 0.00 0.00 -2.06 0.00 0.00 179.45 177.40 3eae h LYS 65 N 0.01 0.00 -0.28 0.00 2.10 -1.20 0.61 116.57 117.80 3eae h LYS 65 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 3eae h LYS 65 Cb 0.07 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.38 3eae h LYS 65 CO 0.00 0.23 -0.02 -0.44 -2.00 0.00 0.00 179.45 177.22 3eae h ASP 66 N 0.00 0.40 0.08 7.07 3.32 -1.86 0.44 116.42 125.88 3eae h ASP 66 Ca -0.00 -0.07 -0.30 0.00 0.02 0.00 0.00 57.03 56.68 3eae h ASP 66 Cb 0.46 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3eae h ASP 66 CO 0.03 0.48 -1.62 0.07 -1.72 0.00 0.00 179.24 176.48 3eae h LYS 67 N 0.42 0.18 0.00 3.56 5.09 -1.64 -3.42 116.57 120.75 3eae h LYS 67 Ca 0.09 -0.30 0.00 0.00 0.09 0.00 0.00 60.65 60.53 3eae h LYS 67 Cb 0.31 0.11 0.00 0.00 0.10 0.00 0.00 32.23 32.75 3eae h LYS 67 CO 0.01 1.14 -1.22 0.66 -2.09 0.00 0.00 179.45 177.95 3eae n TYR 68 N -3.90 0.00 -2.07 0.07 4.01 0.11 -4.75 117.16 110.63 3eae n TYR 68 Ca -0.30 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.01 3eae n TYR 68 Cb 0.89 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.76 3eae n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3eae n GLY 69 N 1.45 4.26 3.05 2.72 0.00 0.15 -4.89 105.19 111.93 3eae n GLY 69 Ca 0.00 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 3eae n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3eae s LYS 70 N 2.39 0.31 0.90 1.61 -2.85 -1.26 -4.83 119.74 116.00 3eae s LYS 70 Ca 0.45 -0.14 -0.11 0.00 -1.00 0.00 0.00 55.97 55.18 3eae s LYS 70 Cb 0.11 0.13 0.12 0.00 -2.06 0.00 0.00 37.83 36.13 3eae s LYS 70 CO -0.04 -0.06 1.06 -2.30 0.10 0.00 0.00 175.35 174.11 3eae n PRO 71 N 2.22 -0.33 -3.70 1.78 -0.02 -1.26 -5.02 135.00 128.67 3eae n PRO 71 Ca -0.18 -0.03 -0.14 0.00 -2.02 0.00 0.00 63.50 61.13 3eae n PRO 71 Cb 0.57 -2.32 -0.08 0.00 -0.02 0.00 0.00 33.50 31.65 3eae n PRO 71 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3eae s ASN 72 N -2.47 -0.35 0.28 2.55 3.84 -1.26 -5.06 114.94 112.48 3eae s ASN 72 Ca 0.67 0.36 0.25 0.00 0.21 0.00 0.00 52.86 54.35 3eae s ASN 72 Cb -0.24 0.46 0.96 0.00 -0.55 0.00 0.00 41.25 41.88 3eae s ASN 72 CO 0.58 -0.44 1.75 0.11 -2.79 0.00 0.00 177.10 176.31 3eae h LYS 73 N 3.90 0.00 -6.95 0.43 1.57 -2.01 -3.40 116.57 110.10 3eae h LYS 73 Ca -0.29 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.97 3eae h LYS 73 Cb 1.17 0.00 0.09 0.00 0.08 0.00 0.00 32.23 33.56 3eae h LYS 73 CO 0.37 0.00 0.61 1.03 -0.57 0.00 0.00 179.45 180.90 3eae s ARG 74 N -3.30 3.93 0.02 3.15 1.81 -1.26 -4.92 118.95 118.38 3eae s ARG 74 Ca 0.05 2.17 -0.33 0.00 -1.72 0.00 0.00 55.73 55.90 3eae s ARG 74 Cb 0.10 -2.73 -0.12 0.00 -0.45 0.00 0.00 34.95 31.75 3eae s ARG 74 CO 0.46 -0.53 1.83 0.36 -0.68 0.00 0.00 175.30 176.74 3eae n LYS 75 N 0.07 2.40 -0.16 3.54 2.85 -1.26 -1.89 118.16 123.69 3eae n LYS 75 Ca 0.04 0.87 0.00 0.00 -1.05 0.00 0.00 58.31 58.17 3eae n LYS 75 Cb 0.44 -2.73 0.00 0.00 -0.65 0.00 0.00 35.03 32.08 3eae n LYS 75 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3eae n GLY 76 N 4.21 1.94 0.11 2.58 0.00 -1.26 -4.78 105.19 108.00 3eae n GLY 76 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 3eae n GLY 76 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3eae h PHE 77 N 0.00 -0.17 -0.59 1.61 3.57 -1.68 0.13 116.94 119.81 3eae h PHE 77 Ca 0.00 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 3eae h PHE 77 Cb 0.00 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3eae h PHE 77 CO 0.00 0.01 -0.04 -0.91 -2.23 0.00 0.00 178.31 175.14 3eae h ASN 78 N -0.32 1.05 -0.79 0.41 2.35 -1.78 0.57 115.58 117.07 3eae h ASN 78 Ca -0.02 -0.32 0.09 0.00 -0.55 0.00 0.00 56.30 55.50 3eae h ASN 78 Cb 0.26 -0.28 -0.07 0.00 0.05 0.00 0.00 38.32 38.27 3eae h ASN 78 CO 0.03 1.12 0.45 -0.08 -1.65 0.00 0.00 177.43 177.30 3eae h GLU 79 N 0.96 0.74 -0.60 0.81 4.81 -1.95 -2.31 114.58 117.04 3eae h GLU 79 Ca 0.16 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3eae h GLU 79 Cb 0.61 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 3eae h GLU 79 CO 0.04 0.49 0.38 0.78 -0.73 0.00 0.00 179.01 179.97 3eae h GLY 80 N 0.76 0.85 1.01 1.92 0.00 0.34 -1.39 103.07 106.56 3eae h GLY 80 Ca 0.38 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3eae h GLY 80 CO -0.24 0.32 0.61 1.41 0.00 0.00 0.00 176.54 178.64 3eae h LEU 81 N 0.81 1.13 -0.58 3.11 3.38 -0.76 -1.61 115.31 120.79 3eae h LEU 81 Ca 0.22 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3eae h LEU 81 Cb -0.07 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 3eae h LEU 81 CO -0.04 0.84 0.31 -0.25 0.09 0.00 0.00 178.44 179.39 3eae h TRP 82 N 1.32 0.81 -0.31 1.13 7.01 -0.90 -2.95 115.95 122.05 3eae h TRP 82 Ca 0.35 -0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.24 3eae h TRP 82 Cb -0.11 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 26.69 3eae h TRP 82 CO 0.00 0.59 -0.14 0.93 -2.79 0.00 0.00 178.44 177.04 3eae h GLU 83 N 0.79 0.65 -0.06 2.65 5.08 -0.79 0.16 114.58 123.06 3eae h GLU 83 Ca 0.20 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 3eae h GLU 83 Cb 0.06 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3eae h GLU 83 CO -0.03 0.86 -0.31 0.97 -1.00 0.00 0.00 179.01 179.50 3eae h ILE 84 N 0.41 1.25 0.07 3.13 2.10 -1.30 0.27 117.51 123.44 3eae h ILE 84 Ca 0.07 -1.17 -0.28 0.00 1.08 0.00 0.00 64.86 64.57 3eae h ILE 84 Cb 0.66 1.55 -0.02 0.00 -1.09 0.00 0.00 36.82 37.92 3eae h ILE 84 CO 0.04 0.34 -1.38 -0.61 -1.08 0.00 0.00 178.15 175.46 3eae h GLN 85 N 0.10 0.15 0.00 2.19 4.15 -1.38 -3.39 115.11 116.94 3eae h GLN 85 Ca 0.01 -0.26 -0.07 0.00 0.77 0.00 0.00 58.65 59.10 3eae h GLN 85 Cb 0.60 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.38 3eae h GLN 85 CO 0.04 1.01 -1.29 0.09 -1.93 0.00 0.00 178.83 176.75 3eae n ASN 86 N -3.38 3.93 -3.10 -0.69 4.13 0.56 -4.84 115.26 111.87 3eae n ASN 86 Ca -0.11 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 55.98 3eae n ASN 86 Cb 1.02 0.65 -0.01 0.00 -1.54 0.00 0.00 39.78 39.89 3eae n ASN 86 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3eae n ASN 87 N -2.13 0.57 0.14 6.41 2.85 0.85 -5.00 115.26 118.95 3eae n ASN 87 Ca -0.07 -3.05 -0.00 0.00 -0.11 0.00 0.00 54.58 51.35 3eae n ASN 87 Cb 0.61 -0.37 0.25 0.00 1.24 0.00 0.00 39.78 41.51 3eae n ASN 87 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3eae h PRO 88 N 2.99 0.10 -0.78 1.20 0.13 -1.46 -3.29 132.00 130.89 3eae h PRO 88 Ca 0.06 -0.05 -0.55 0.00 -0.87 0.00 0.00 66.00 64.59 3eae h PRO 88 Cb 1.00 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.78 3eae h PRO 88 CO 0.46 0.54 -0.24 0.72 -0.23 0.00 0.00 178.00 179.25 3eae n HIS 89 N -3.99 2.71 1.36 1.56 8.25 -1.26 -4.97 115.22 118.88 3eae n HIS 89 Ca -0.02 -2.40 0.13 0.00 -0.26 0.00 0.00 57.72 55.18 3eae n HIS 89 Cb 0.49 -0.69 0.40 0.00 1.12 0.00 0.00 29.99 31.32 3eae n HIS 89 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98