#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ce8 n THR 3 N 0.00 0.02 -3.57 2.46 -2.24 -1.26 -4.75 114.28 104.94 3ce8 n THR 3 Ca 0.00 -0.01 -0.37 0.00 -2.27 0.00 0.00 64.05 61.40 3ce8 n THR 3 Cb 0.00 -0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 67.86 3ce8 n THR 3 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ce8 s GLU 4 N -3.00 3.81 0.07 -0.78 0.41 -1.26 0.12 118.70 118.06 3ce8 s GLU 4 Ca 0.13 0.27 -0.09 0.00 -0.41 0.00 0.00 54.97 54.87 3ce8 s GLU 4 Cb 0.18 -3.14 -0.00 0.00 -1.78 0.00 0.00 34.13 29.39 3ce8 s GLU 4 CO 0.58 0.66 0.19 1.14 -0.49 0.00 0.00 175.26 177.33 3ce8 s GLN 5 N -1.37 0.79 -0.25 1.61 -2.07 -0.43 -3.51 119.66 114.42 3ce8 s GLN 5 Ca 0.26 -0.85 -0.08 0.00 -1.82 0.00 0.00 55.36 52.87 3ce8 s GLN 5 Cb -0.15 0.32 -0.03 0.00 -1.09 0.00 0.00 33.01 32.06 3ce8 s GLN 5 CO 0.14 -0.24 0.09 -1.17 -1.32 0.00 0.00 175.29 172.79 3ce8 s LEU 6 N -2.60 3.57 -0.19 2.60 2.96 -1.26 -1.64 118.68 122.12 3ce8 s LEU 6 Ca 0.02 -0.16 -0.18 0.00 -0.22 0.00 0.00 54.13 53.58 3ce8 s LEU 6 Cb 0.03 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 3ce8 s LEU 6 CO -0.09 -0.03 0.51 -0.22 -1.32 0.00 0.00 176.35 175.20 3ce8 s LEU 7 N 1.61 4.17 -0.15 -0.68 2.96 0.08 -4.16 118.68 122.51 3ce8 s LEU 7 Ca 0.06 0.69 -0.01 0.00 -0.22 0.00 0.00 54.13 54.66 3ce8 s LEU 7 Cb -0.15 -2.70 -0.01 0.00 0.50 0.00 0.00 46.19 43.82 3ce8 s LEU 7 CO 0.05 -0.15 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.13 3ce8 s VAL 8 N 1.48 3.14 -0.08 1.68 1.01 0.96 -0.47 120.40 128.12 3ce8 s VAL 8 Ca 0.24 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 3ce8 s VAL 8 Cb -0.15 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.91 3ce8 s VAL 8 CO 0.10 0.51 -0.05 -0.22 0.00 0.00 0.00 175.10 175.44 3ce8 s LEU 9 N 0.57 1.07 -0.55 3.92 2.96 -0.70 -0.19 118.68 125.76 3ce8 s LEU 9 Ca -0.07 -0.18 -0.13 0.00 -0.22 0.00 0.00 54.13 53.53 3ce8 s LEU 9 Cb -0.15 -0.60 0.14 0.00 0.50 0.00 0.00 46.19 46.07 3ce8 s LEU 9 CO 0.03 -0.11 0.47 -0.63 -1.32 0.00 0.00 176.35 174.79 3ce8 s ILE 10 N 1.48 4.89 0.04 6.68 -1.09 0.28 -1.66 121.20 131.82 3ce8 s ILE 10 Ca -0.01 -1.71 0.01 0.00 -2.23 0.00 0.00 60.65 56.70 3ce8 s ILE 10 Cb -0.13 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.56 3ce8 s ILE 10 CO -0.04 -0.85 0.09 0.00 -1.23 0.00 0.00 174.94 172.91 3ce8 s ALA 11 N 1.36 3.62 0.45 9.38 0.00 -0.20 -3.10 121.76 133.27 3ce8 s ALA 11 Ca 0.06 -0.93 -0.22 0.00 0.00 0.00 0.00 51.96 50.87 3ce8 s ALA 11 Cb -0.27 -1.55 -0.09 0.00 0.00 0.00 0.00 23.12 21.21 3ce8 s ALA 11 CO 0.01 0.73 1.03 -0.65 0.00 0.00 0.00 175.76 176.87 3ce8 s GLN 12 N -2.09 3.99 0.61 0.00 -0.21 -1.26 -0.70 119.66 119.99 3ce8 s GLN 12 Ca 0.27 1.38 0.32 0.00 0.02 0.00 0.00 55.36 57.35 3ce8 s GLN 12 Cb -0.12 -2.27 1.90 0.00 1.00 0.00 0.00 33.01 33.52 3ce8 s GLN 12 CO 0.19 -0.27 2.24 -0.91 -2.12 0.00 0.00 175.29 174.42 3ce8 h ASN 13 N 1.95 0.00 0.88 5.90 2.35 -1.93 -2.82 115.58 121.90 3ce8 h ASN 13 Ca -0.49 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.10 3ce8 h ASN 13 Cb 1.21 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.56 3ce8 h ASN 13 CO 0.60 0.00 -0.78 -2.24 -1.65 0.00 0.00 177.43 173.36 3ce8 h ASP 14 N 0.00 0.00 -0.72 5.81 3.04 -1.97 -3.16 116.42 119.42 3ce8 h ASP 14 Ca 0.02 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.81 3ce8 h ASP 14 Cb 0.12 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.41 3ce8 h ASP 14 CO -0.00 0.78 0.00 2.30 -2.04 0.00 0.00 179.24 180.28 3ce8 n ILE 15 N -3.52 1.13 -0.13 4.15 -5.35 -1.07 -4.49 119.36 110.08 3ce8 n ILE 15 Ca -0.00 -1.01 -0.05 0.00 -0.27 0.00 0.00 62.75 61.41 3ce8 n ILE 15 Cb 0.78 0.43 0.03 0.00 -1.74 0.00 0.00 39.64 39.14 3ce8 n ILE 15 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3ce8 h LYS 16 N 4.26 0.30 -0.15 6.28 3.64 -1.54 -0.51 116.57 128.86 3ce8 h LYS 16 Ca 0.00 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 3ce8 h LYS 16 Cb 1.06 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 3ce8 h LYS 16 CO 0.04 0.20 -0.60 -0.44 -2.27 0.00 0.00 179.45 176.38 3ce8 h ASP 17 N 0.31 0.56 0.12 4.20 5.19 -1.82 -1.60 116.42 123.38 3ce8 h ASP 17 Ca 0.19 -0.32 -0.10 0.00 -0.62 0.00 0.00 57.03 56.19 3ce8 h ASP 17 Cb 0.18 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 3ce8 h ASP 17 CO -0.20 1.03 -0.32 0.44 -3.12 0.00 0.00 179.24 177.07 3ce8 h ASP 18 N 0.37 0.31 -0.14 6.45 3.32 -1.75 -0.31 116.42 124.67 3ce8 h ASP 18 Ca -0.00 -0.11 -0.21 0.00 0.02 0.00 0.00 57.03 56.72 3ce8 h ASP 18 Cb 1.15 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 40.63 3ce8 h ASP 18 CO 0.11 0.63 -0.72 0.40 -1.72 0.00 0.00 179.24 177.93 3ce8 h ILE 19 N 0.27 1.29 -0.81 0.35 2.04 -0.79 -2.44 117.51 117.42 3ce8 h ILE 19 Ca 0.03 -1.94 -0.03 0.00 1.00 0.00 0.00 64.86 63.93 3ce8 h ILE 19 Cb 0.71 2.02 -0.04 0.00 -0.74 0.00 0.00 36.82 38.77 3ce8 h ILE 19 CO 0.05 0.61 0.40 0.58 0.00 0.00 0.00 178.15 179.79 3ce8 h VAL 20 N 0.46 1.25 -0.36 1.67 2.07 -0.76 -1.70 116.25 118.88 3ce8 h VAL 20 Ca -0.05 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 3ce8 h VAL 20 Cb 1.36 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3ce8 h VAL 20 CO 0.15 0.30 -0.04 0.44 0.02 0.00 0.00 177.57 178.44 3ce8 h ASP 21 N 1.15 0.55 -0.17 0.57 3.32 -0.96 -1.52 116.42 119.37 3ce8 h ASP 21 Ca 0.28 -0.12 -0.15 0.00 0.02 0.00 0.00 57.03 57.05 3ce8 h ASP 21 Cb 0.10 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3ce8 h ASP 21 CO -0.04 0.65 -0.50 0.74 -1.72 0.00 0.00 179.24 178.38 3ce8 h THR 22 N 0.55 1.33 -0.37 0.35 2.02 -0.89 -3.26 112.91 112.63 3ce8 h THR 22 Ca 0.11 -1.75 -0.13 0.00 0.77 0.00 0.00 66.41 65.41 3ce8 h THR 22 Cb 0.41 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 3ce8 h THR 22 CO 0.02 0.54 -0.27 -0.07 0.37 0.00 0.00 175.52 176.11 3ce8 h LEU 23 N 0.30 0.88 -1.07 2.58 3.38 -1.00 -2.47 115.31 117.92 3ce8 h LEU 23 Ca -0.02 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3ce8 h LEU 23 Cb 1.12 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3ce8 h LEU 23 CO 0.11 1.13 0.00 0.16 0.09 0.00 0.00 178.44 179.92 3ce8 h ILE 24 N 0.64 0.00 0.00 1.22 3.07 -1.35 -1.84 117.51 119.25 3ce8 h ILE 24 Ca 0.07 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 66.33 3ce8 h ILE 24 Cb 0.84 0.81 0.00 0.00 -0.27 0.00 0.00 36.82 38.19 3ce8 h ILE 24 CO 0.07 0.00 -1.08 1.21 -1.05 0.00 0.00 178.15 177.30 3ce8 n GLU 25 N -2.30 0.15 -2.82 0.16 4.07 -0.94 -4.82 120.64 114.14 3ce8 n GLU 25 Ca 0.01 -0.03 -0.43 0.00 -0.06 0.00 0.00 57.16 56.65 3ce8 n GLU 25 Cb 0.16 -1.52 -0.04 0.00 -0.06 0.00 0.00 31.44 29.97 3ce8 n GLU 25 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3ce8 s LEU 26 N -3.39 4.00 0.60 4.31 1.43 -0.69 -4.93 118.68 120.01 3ce8 s LEU 26 Ca 0.05 0.22 0.37 0.00 -1.03 0.00 0.00 54.13 53.74 3ce8 s LEU 26 Cb 0.16 -3.21 1.91 0.00 0.03 0.00 0.00 46.19 45.07 3ce8 s LEU 26 CO 0.84 -1.01 2.21 -0.33 0.23 0.00 0.00 176.35 178.29 3ce8 h GLU 27 N 8.94 0.00 -0.01 1.70 5.08 -1.87 -2.64 114.58 125.78 3ce8 h GLU 27 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3ce8 h GLU 27 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3ce8 h GLU 27 CO 1.02 0.03 -0.09 1.97 -1.00 0.00 0.00 179.01 180.94 3ce8 n PHE 28 N -3.31 0.00 -3.81 4.33 1.16 -1.26 -4.79 117.46 109.79 3ce8 n PHE 28 Ca -0.02 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.21 3ce8 n PHE 28 Cb 0.16 -0.06 -0.08 0.00 -1.61 0.00 0.00 39.48 37.90 3ce8 n PHE 28 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3ce8 s LEU 29 N -2.20 4.21 -0.00 5.98 1.43 -1.00 -4.68 118.68 122.43 3ce8 s LEU 29 Ca 0.34 0.28 0.21 0.00 -1.03 0.00 0.00 54.13 53.94 3ce8 s LEU 29 Cb 0.20 -2.07 -0.17 0.00 0.03 0.00 0.00 46.19 44.19 3ce8 s LEU 29 CO 0.41 0.25 0.92 -1.54 0.23 0.00 0.00 176.35 176.62 3ce8 n SER 30 N 3.06 0.90 0.00 2.29 3.41 -1.26 -4.97 113.62 117.05 3ce8 n SER 30 Ca -0.17 -0.87 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 3ce8 n SER 30 Cb 0.53 0.98 0.00 0.00 -0.26 0.00 0.00 64.21 65.46 3ce8 n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ce8 n GLY 31 N 1.49 2.32 3.59 5.00 0.00 -1.26 -5.19 105.19 111.13 3ce8 n GLY 31 Ca 0.04 -1.11 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 3ce8 n GLY 31 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ce8 s PHE 32 N -2.00 0.24 0.16 1.61 -0.71 -1.26 -4.91 117.98 111.10 3ce8 s PHE 32 Ca 0.00 -0.61 0.06 0.00 -1.04 0.00 0.00 56.93 55.35 3ce8 s PHE 32 Cb 0.00 0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 42.02 3ce8 s PHE 32 CO 0.00 -0.99 -0.13 -1.54 -1.34 0.00 0.00 175.22 171.22 3ce8 s SER 33 N -2.98 2.16 -0.13 1.98 1.04 -0.32 -5.00 113.70 110.44 3ce8 s SER 33 Ca 0.19 -0.93 -0.11 0.00 0.48 0.00 0.00 55.95 55.57 3ce8 s SER 33 Cb -0.01 -0.08 0.04 0.00 0.10 0.00 0.00 66.02 66.07 3ce8 s SER 33 CO 0.06 -0.20 0.35 -1.48 0.98 0.00 0.00 173.24 172.96 3ce8 s LEU 34 N -2.92 0.57 0.06 2.42 0.05 -1.26 -0.73 118.68 116.87 3ce8 s LEU 34 Ca 0.16 0.72 -0.04 0.00 0.05 0.00 0.00 54.13 55.02 3ce8 s LEU 34 Cb -0.02 1.19 -0.03 0.00 -2.05 0.00 0.00 46.19 45.29 3ce8 s LEU 34 CO 0.04 -0.13 0.04 -0.83 -0.55 0.00 0.00 176.35 174.92 3ce8 s GLY 35 N 0.37 0.35 0.02 -3.48 0.00 0.16 -4.95 107.32 99.80 3ce8 s GLY 35 Ca -0.02 -1.02 -0.28 0.00 0.00 0.00 0.00 44.72 43.40 3ce8 s GLY 35 CO -0.01 -1.15 0.91 -1.31 0.00 0.00 0.00 173.10 171.53 3ce8 s ASN 36 N -2.90 7.32 0.07 1.64 0.01 -1.26 0.80 114.94 120.62 3ce8 s ASN 36 Ca 0.07 1.59 0.01 0.00 -0.71 0.00 0.00 52.86 53.82 3ce8 s ASN 36 Cb 0.07 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.16 3ce8 s ASN 36 CO -0.10 -0.16 -0.06 0.27 -1.51 0.00 0.00 177.10 175.54 3ce8 s ILE 37 N 0.61 0.55 -0.19 0.60 -5.25 -0.41 -4.90 121.20 112.21 3ce8 s ILE 37 Ca 0.47 -1.64 -0.14 0.00 -0.99 0.00 0.00 60.65 58.35 3ce8 s ILE 37 Cb -0.21 -1.31 -0.04 0.00 2.95 0.00 0.00 42.46 43.85 3ce8 s ILE 37 CO 0.26 -0.75 0.29 0.00 -1.79 0.00 0.00 174.94 172.96 3ce8 s GLY 39 N 0.73 1.02 0.32 0.00 0.00 0.24 -4.95 107.32 104.68 3ce8 s GLY 39 Ca 0.15 -0.71 0.07 0.00 0.00 0.00 0.00 44.72 44.23 3ce8 s GLY 39 CO 0.05 -0.24 0.32 -1.36 0.00 0.00 0.00 173.10 171.86 3ce8 s PHE 40 N 0.26 2.99 0.00 1.90 0.40 -1.26 -1.32 117.98 120.95 3ce8 s PHE 40 Ca -0.10 -0.25 0.00 0.00 -0.60 0.00 0.00 56.93 55.97 3ce8 s PHE 40 Cb -0.14 -1.79 0.00 0.00 0.51 0.00 0.00 43.02 41.60 3ce8 s PHE 40 CO 0.04 0.19 0.00 -1.13 0.70 0.00 0.00 175.22 175.02 3ce8 n SER 41 N -1.41 0.00 -4.42 1.36 3.41 -0.85 -5.01 113.62 106.71 3ce8 n SER 41 Ca -0.02 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.28 3ce8 n SER 41 Cb 0.59 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.41 3ce8 n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ce8 s ARG 42 N -2.00 2.09 0.09 4.33 1.70 -1.26 -0.76 118.95 123.14 3ce8 s ARG 42 Ca 0.00 -0.96 0.08 0.00 -0.47 0.00 0.00 55.73 54.38 3ce8 s ARG 42 Cb 0.00 -2.16 -0.04 0.00 -0.57 0.00 0.00 34.95 32.19 3ce8 s ARG 42 CO 0.00 0.55 -0.18 -1.21 -1.08 0.00 0.00 175.30 173.38 3ce8 s GLU 54 N -1.19 1.88 0.05 3.89 2.02 -1.26 -5.17 118.70 118.93 3ce8 s GLU 54 Ca 0.13 -1.11 0.02 0.00 0.02 0.00 0.00 54.97 54.03 3ce8 s GLU 54 Cb -0.10 -2.14 -0.03 0.00 0.10 0.00 0.00 34.13 31.96 3ce8 s GLU 54 CO 0.03 0.50 -0.08 0.20 0.02 0.00 0.00 175.26 175.93 3ce8 s GLY 55 N -1.91 0.55 0.27 -1.39 0.00 0.06 -5.18 107.32 99.73 3ce8 s GLY 55 Ca 0.17 -0.83 0.02 0.00 0.00 0.00 0.00 44.72 44.07 3ce8 s GLY 55 CO 0.09 -0.89 0.11 -2.52 0.00 0.00 0.00 173.10 169.88 3ce8 s TYR 56 N -1.59 1.57 -0.30 1.90 -0.85 -1.26 -2.01 117.35 114.81 3ce8 s TYR 56 Ca -0.07 -1.21 0.00 0.00 -0.52 0.00 0.00 57.07 55.27 3ce8 s TYR 56 Cb -0.09 -0.91 0.00 0.00 0.38 0.00 0.00 41.96 41.34 3ce8 s TYR 56 CO -0.00 -0.36 0.00 -2.13 -1.52 0.00 0.00 175.55 171.54 3ce8 n ARG 57 N -0.50 -2.36 -4.27 -3.49 0.63 -0.44 -5.01 116.66 101.22 3ce8 n ARG 57 Ca -0.00 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.59 3ce8 n ARG 57 Cb 0.66 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.46 3ce8 n ARG 57 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 3ce8 s GLU 58 N -1.34 3.73 0.37 -0.14 2.56 -1.26 0.81 118.70 123.43 3ce8 s GLU 58 Ca 0.00 -0.45 0.03 0.00 0.00 0.00 0.00 54.97 54.55 3ce8 s GLU 58 Cb 0.00 -3.00 -0.04 0.00 2.00 0.00 0.00 34.13 33.09 3ce8 s GLU 58 CO 0.00 0.29 0.10 -0.06 -0.56 0.00 0.00 175.26 175.03 3ce8 s PHE 59 N 0.26 1.82 -0.19 5.30 0.40 0.29 -4.51 117.98 121.35 3ce8 s PHE 59 Ca -0.01 -1.17 -0.04 0.00 -0.60 0.00 0.00 56.93 55.12 3ce8 s PHE 59 Cb -0.13 -1.18 -0.02 0.00 0.51 0.00 0.00 43.02 42.19 3ce8 s PHE 59 CO 0.02 -0.20 -0.03 0.00 0.70 0.00 0.00 175.22 175.71 3ce8 s LYS 61 N 0.97 3.09 -0.10 0.00 2.20 0.24 -1.03 119.74 125.10 3ce8 s LYS 61 Ca 0.01 -0.85 -0.08 0.00 -0.36 0.00 0.00 55.97 54.68 3ce8 s LYS 61 Cb -0.14 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 3ce8 s LYS 61 CO 0.01 -0.43 0.18 -0.06 -0.36 0.00 0.00 175.35 174.70 3ce8 s PHE 62 N 1.49 3.62 -0.11 4.03 0.40 -0.66 0.39 117.98 127.14 3ce8 s PHE 62 Ca 0.03 0.60 0.00 0.00 -0.60 0.00 0.00 56.93 56.95 3ce8 s PHE 62 Cb -0.17 -1.99 0.02 0.00 0.51 0.00 0.00 43.02 41.39 3ce8 s PHE 62 CO 0.02 0.72 -0.09 -1.21 0.70 0.00 0.00 175.22 175.36 3ce8 s GLU 63 N -1.05 1.67 0.41 0.44 2.02 0.09 -1.72 118.70 120.57 3ce8 s GLU 63 Ca 0.16 -0.33 0.04 0.00 0.02 0.00 0.00 54.97 54.86 3ce8 s GLU 63 Cb -0.13 -1.63 -0.02 0.00 0.10 0.00 0.00 34.13 32.45 3ce8 s GLU 63 CO 0.06 -0.20 0.14 0.42 0.02 0.00 0.00 175.26 175.69 3ce8 s ILE 64 N 1.47 0.57 0.00 -1.63 1.01 0.38 -1.17 121.20 121.83 3ce8 s ILE 64 Ca 0.01 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.66 3ce8 s ILE 64 Cb -0.13 -2.33 0.00 0.00 0.01 0.00 0.00 42.46 40.01 3ce8 s ILE 64 CO -0.06 0.00 0.00 0.00 0.00 0.00 0.00 174.94 174.88 3ce8 n HIS 66 N -0.93 0.00 -2.16 3.97 -0.00 -0.65 -0.74 115.22 114.71 3ce8 n HIS 66 Ca -0.06 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.25 3ce8 n HIS 66 Cb 0.65 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.61 3ce8 n HIS 66 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 3ce8 s PRO 67 N -3.05 4.38 0.53 -1.40 0.02 -1.26 -1.32 135.00 132.91 3ce8 s PRO 67 Ca 0.00 2.14 0.27 0.00 0.02 0.00 0.00 61.00 63.43 3ce8 s PRO 67 Cb 0.00 -3.13 1.42 0.00 0.02 0.00 0.00 34.50 32.82 3ce8 s PRO 67 CO 0.00 -0.21 1.97 0.00 -0.33 0.00 0.00 177.00 178.42 3ce8 h ALA 68 N 4.36 2.60 0.00 -1.55 0.00 0.54 0.31 119.26 125.52 3ce8 h ALA 68 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3ce8 h ALA 68 Cb 1.22 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3ce8 h ALA 68 CO 0.72 -0.78 0.00 0.00 0.00 0.00 0.00 179.25 179.18 3ce8 h ALA 69 N 1.68 1.00 -0.22 0.00 0.00 -1.90 -2.57 119.26 117.25 3ce8 h ALA 69 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3ce8 h ALA 69 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3ce8 h ALA 69 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 3ce8 n GLN 70 N -2.85 2.76 -0.14 0.00 1.13 0.09 -4.69 117.38 113.69 3ce8 n GLN 70 Ca 0.00 -2.16 -0.04 0.00 -1.94 0.00 0.00 57.00 52.86 3ce8 n GLN 70 Cb 0.24 -1.36 0.04 0.00 0.11 0.00 0.00 30.24 29.28 3ce8 n GLN 70 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 3ce8 h GLN 71 N 1.34 0.30 0.17 -1.09 4.15 -1.39 -0.77 115.11 117.82 3ce8 h GLN 71 Ca 0.00 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 3ce8 h GLN 71 Cb 0.87 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.49 3ce8 h GLN 71 CO 0.05 0.20 -0.08 0.00 -1.93 0.00 0.00 178.83 177.06 3ce8 h ALA 72 N 1.30 -0.23 -0.95 3.38 0.00 -1.83 -0.31 119.26 120.62 3ce8 h ALA 72 Ca 0.21 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 55.20 3ce8 h ALA 72 Cb 0.22 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 3ce8 h ALA 72 CO -0.23 -0.56 0.54 0.00 0.00 0.00 0.00 179.25 179.00 3ce8 h ALA 73 N 0.43 1.54 -0.12 0.00 0.00 -1.83 0.11 119.26 119.38 3ce8 h ALA 73 Ca -0.02 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3ce8 h ALA 73 Cb 0.29 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.06 3ce8 h ALA 73 CO 0.04 -0.11 -0.52 1.25 0.00 0.00 0.00 179.25 179.91 3ce8 h LEU 74 N 0.67 0.66 -0.09 0.00 5.85 -0.68 -2.49 115.31 119.24 3ce8 h LEU 74 Ca 0.55 -0.63 -0.25 0.00 0.84 0.00 0.00 57.88 58.39 3ce8 h LEU 74 Cb 0.87 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.71 3ce8 h LEU 74 CO -0.40 1.18 -1.01 -0.07 -0.34 0.00 0.00 178.44 177.81 3ce8 h LEU 75 N 0.19 0.66 -0.91 2.25 3.38 -0.42 -2.03 115.31 118.42 3ce8 h LEU 75 Ca -0.03 -0.54 -0.10 0.00 0.09 0.00 0.00 57.88 57.30 3ce8 h LEU 75 Cb 1.16 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 3ce8 h LEU 75 CO 0.11 1.35 -0.29 0.71 0.09 0.00 0.00 178.44 180.40 3ce8 h THR 76 N 0.27 1.27 -0.35 0.22 1.35 -0.88 0.23 112.91 115.02 3ce8 h THR 76 Ca -0.10 -1.34 -0.09 0.00 -0.55 0.00 0.00 66.41 64.33 3ce8 h THR 76 Cb 1.65 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 69.49 3ce8 h THR 76 CO 0.18 0.42 -0.13 0.00 -0.25 0.00 0.00 175.52 175.74 3ce8 h ALA 77 N 1.30 0.49 -0.04 6.62 0.00 -1.34 -2.94 119.26 123.35 3ce8 h ALA 77 Ca 0.05 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 3ce8 h ALA 77 Cb 0.72 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3ce8 h ALA 77 CO 0.05 0.39 -0.70 -0.07 0.00 0.00 0.00 179.25 178.92 3ce8 h LEU 78 N 0.50 0.24 -2.76 0.00 3.38 -1.21 -2.95 115.31 112.51 3ce8 h LEU 78 Ca 0.08 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3ce8 h LEU 78 Cb 0.66 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3ce8 h LEU 78 CO 0.04 0.86 -0.00 0.00 0.09 0.00 0.00 178.44 179.43 3ce8 h ALA 79 N 1.14 1.07 0.05 1.53 0.00 -0.37 -0.43 119.26 122.25 3ce8 h ALA 79 Ca -0.02 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 3ce8 h ALA 79 Cb 1.24 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.05 3ce8 h ALA 79 CO 0.11 0.01 -1.02 -0.07 0.00 0.00 0.00 179.25 178.27 3ce8 h LEU 80 N 0.00 0.82 -0.94 0.00 3.38 -1.41 -3.11 115.31 114.05 3ce8 h LEU 80 Ca -0.00 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.19 3ce8 h LEU 80 Cb 0.06 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3ce8 h LEU 80 CO 0.00 1.50 0.00 -0.37 0.09 0.00 0.00 178.44 179.66 3ce8 h VAL 81 N 0.23 0.00 -0.64 1.22 -1.51 -1.17 -2.64 116.25 111.73 3ce8 h VAL 81 Ca -0.14 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.72 3ce8 h VAL 81 Cb 1.70 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 32.45 3ce8 h VAL 81 CO 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.54 3ce8 n LYS 83 N 1.52 -0.06 0.00 0.00 4.81 -1.00 -1.06 118.16 122.36 3ce8 n LYS 83 Ca 0.23 1.17 0.02 0.00 -0.87 0.00 0.00 58.31 58.85 3ce8 n LYS 83 Cb 0.59 -1.89 0.01 0.00 0.02 0.00 0.00 35.03 33.75 3ce8 n LYS 83 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3ce8 n HIS 84 N -5.07 0.00 -3.64 5.64 8.25 -1.26 -4.85 115.22 114.29 3ce8 n HIS 84 Ca 0.20 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.37 3ce8 n HIS 84 Cb 0.66 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.65 3ce8 n HIS 84 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3ce8 s ASN 85 N -0.31 3.31 0.36 0.41 -0.87 -0.23 -5.12 114.94 112.50 3ce8 s ASN 85 Ca 0.04 -2.74 -0.27 0.00 -1.57 0.00 0.00 52.86 48.31 3ce8 s ASN 85 Cb 0.03 -0.89 -0.12 0.00 -0.02 0.00 0.00 41.25 40.25 3ce8 s ASN 85 CO 0.04 -0.24 1.31 -2.65 -2.57 0.00 0.00 177.10 173.00 3ce8 n PRO 86 N 3.37 2.16 -4.29 -0.60 -0.02 -1.25 -4.66 135.00 129.72 3ce8 n PRO 86 Ca 0.14 0.76 -0.26 0.00 -2.02 0.00 0.00 63.50 62.11 3ce8 n PRO 86 Cb 0.37 -2.39 -0.17 0.00 -0.02 0.00 0.00 33.50 31.29 3ce8 n PRO 86 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ce8 s ARG 88 N 1.14 3.81 0.13 0.00 0.52 -1.18 -4.84 118.95 118.54 3ce8 s ARG 88 Ca -0.05 1.82 -0.13 0.00 -0.52 0.00 0.00 55.73 56.86 3ce8 s ARG 88 Cb -0.14 -2.48 0.02 0.00 0.52 0.00 0.00 34.95 32.86 3ce8 s ARG 88 CO -0.02 -0.52 0.34 1.52 0.02 0.00 0.00 175.30 176.64 3ce8 s TYR 89 N -1.49 0.01 0.05 -0.53 1.13 -1.26 -0.56 117.35 114.70 3ce8 s TYR 89 Ca 0.62 -0.37 -0.17 0.00 -1.41 0.00 0.00 57.07 55.74 3ce8 s TYR 89 Cb -0.30 0.14 0.03 0.00 -1.10 0.00 0.00 41.96 40.73 3ce8 s TYR 89 CO 0.37 -0.69 0.39 1.67 -2.51 0.00 0.00 175.55 174.78 3ce8 s TRP 90 N -3.86 -0.24 0.34 -3.49 -2.14 0.74 -5.00 118.94 105.29 3ce8 s TRP 90 Ca 0.07 0.16 0.06 0.00 2.66 0.00 0.00 56.10 59.05 3ce8 s TRP 90 Cb 0.03 0.20 -0.07 0.00 -3.10 0.00 0.00 33.47 30.53 3ce8 s TRP 90 CO -0.08 -0.57 -0.01 0.42 -2.66 0.00 0.00 176.95 174.05 3ce8 s ILE 91 N -2.59 1.69 0.13 0.66 1.01 -1.26 -0.02 121.20 120.82 3ce8 s ILE 91 Ca -0.05 -2.06 0.10 0.00 0.00 0.00 0.00 60.65 58.64 3ce8 s ILE 91 Cb -0.01 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 3ce8 s ILE 91 CO -0.03 -0.11 -0.24 -2.16 0.00 0.00 0.00 174.94 172.40 3ce8 s PRO 93 N -3.76 1.53 -0.12 2.79 0.04 -1.26 -4.95 135.00 129.27 3ce8 s PRO 93 Ca 0.34 -1.30 0.03 0.00 0.04 0.00 0.00 61.00 60.10 3ce8 s PRO 93 Cb 0.07 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.65 3ce8 s PRO 93 CO 0.15 0.46 -0.23 0.42 0.04 0.00 0.00 177.00 177.84 3ce8 s ILE 94 N -1.13 2.09 0.03 0.56 -1.09 -1.23 -4.83 121.20 115.61 3ce8 s ILE 94 Ca 0.16 -0.99 -0.17 0.00 -2.23 0.00 0.00 60.65 57.42 3ce8 s ILE 94 Cb -0.10 -1.81 -0.30 0.00 -1.58 0.00 0.00 42.46 38.67 3ce8 s ILE 94 CO 0.08 0.55 1.06 1.88 -1.23 0.00 0.00 174.94 177.28 3ce8 h TYR 95 N 7.02 0.91 -2.31 3.97 0.05 -1.95 -3.06 116.97 121.60 3ce8 h TYR 95 Ca -0.26 -0.59 -0.08 0.00 0.05 0.00 0.00 58.73 57.85 3ce8 h TYR 95 Cb 1.21 -0.07 -0.20 0.00 1.01 0.00 0.00 36.73 38.69 3ce8 h TYR 95 CO 0.47 1.44 0.04 -1.14 -1.05 0.00 0.00 178.16 177.92 3ce8 s GLN 96 N -2.87 0.92 0.14 4.88 0.74 -1.26 -4.34 119.66 117.87 3ce8 s GLN 96 Ca -0.10 0.19 -0.12 0.00 0.05 0.00 0.00 55.36 55.38 3ce8 s GLN 96 Cb 0.04 0.43 0.01 0.00 1.10 0.00 0.00 33.01 34.59 3ce8 s GLN 96 CO 0.91 -0.27 0.33 0.54 -0.55 0.00 0.00 175.29 176.26 3ce8 s ASN 97 N -1.08 -0.06 0.00 6.67 6.03 -1.26 -5.15 114.94 120.09 3ce8 s ASN 97 Ca -0.11 -0.61 0.00 0.00 -1.03 0.00 0.00 52.86 51.11 3ce8 s ASN 97 Cb -0.02 0.45 0.00 0.00 -3.03 0.00 0.00 41.25 38.65 3ce8 s ASN 97 CO 0.08 -0.87 0.00 0.61 -2.03 0.00 0.00 177.10 174.89 3ce8 n GLY 98 N -0.20 -0.60 2.86 0.45 0.00 -1.26 -5.13 105.19 101.32 3ce8 n GLY 98 Ca -0.12 -0.64 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 3ce8 n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ce8 s THR 99 N -3.82 -0.16 0.08 2.61 2.01 -1.26 -5.13 115.64 109.96 3ce8 s THR 99 Ca 0.00 0.28 -0.21 0.00 0.31 0.00 0.00 61.69 62.08 3ce8 s THR 99 Cb 0.00 -0.26 -0.07 0.00 0.01 0.00 0.00 72.50 72.19 3ce8 s THR 99 CO 0.00 0.12 0.61 -0.76 -0.69 0.00 0.00 174.62 173.90 3ce8 s LEU 100 N 1.79 4.52 0.00 4.42 1.43 -1.26 -5.37 118.68 124.22 3ce8 s LEU 100 Ca -0.02 1.32 0.00 0.00 -1.03 0.00 0.00 54.13 54.39 3ce8 s LEU 100 Cb -0.12 -2.97 0.00 0.00 0.03 0.00 0.00 46.19 43.13 3ce8 s LEU 100 CO -0.06 0.24 0.00 -1.54 0.23 0.00 0.00 176.35 175.22