#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6x n SER 26 N 0.00 3.45 -2.38 1.61 7.64 -1.26 -4.71 113.62 117.96 2k6x n SER 26 Ca 0.00 -0.01 -0.23 0.00 1.01 0.00 0.00 58.87 59.63 2k6x n SER 26 Cb 0.00 0.39 -0.09 0.00 -1.01 0.00 0.00 64.21 63.50 2k6x n SER 26 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2k6x n HIS 27 N -2.40 1.20 -2.69 1.43 -0.00 -1.26 -4.25 115.22 107.25 2k6x n HIS 27 Ca -0.11 -1.84 -0.04 0.00 -0.00 0.00 0.00 57.72 55.72 2k6x n HIS 27 Cb 0.68 -1.45 0.04 0.00 -0.00 0.00 0.00 29.99 29.27 2k6x n HIS 27 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2k6x n MET 28 N 1.31 0.24 0.01 1.57 2.00 -1.26 -5.05 117.12 115.95 2k6x n MET 28 Ca 0.48 -1.08 -0.10 0.00 0.00 0.00 0.00 57.70 57.00 2k6x n MET 28 Cb 0.64 -0.36 0.03 0.00 0.00 0.00 0.00 33.22 33.53 2k6x n MET 28 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 2k6x h PRO 29 N 4.12 0.54 -0.20 0.03 0.11 -1.93 -3.21 132.00 131.47 2k6x h PRO 29 Ca -0.05 -0.38 -0.06 0.00 0.11 0.00 0.00 66.00 65.62 2k6x h PRO 29 Cb 1.15 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2k6x h PRO 29 CO -0.07 0.99 -0.14 -0.56 -0.21 0.00 0.00 178.00 178.01 2k6x h GLN 30 N 0.40 0.33 -0.14 1.05 -0.00 -1.96 0.03 115.11 114.82 2k6x h GLN 30 Ca -0.01 -0.08 -0.17 0.00 -0.00 0.00 0.00 58.65 58.39 2k6x h GLN 30 Cb 1.18 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 28.61 2k6x h GLN 30 CO 0.11 0.47 -0.61 0.97 -0.00 0.00 0.00 178.83 179.77 2k6x h ILE 31 N 0.31 1.34 -0.12 1.86 6.09 -1.91 -1.90 117.51 123.18 2k6x h ILE 31 Ca 0.06 -1.92 -0.04 0.00 -1.37 0.00 0.00 64.86 61.60 2k6x h ILE 31 Cb 0.43 1.90 -0.00 0.00 0.47 0.00 0.00 36.82 39.62 2k6x h ILE 31 CO 0.03 0.59 -0.07 -0.08 -3.07 0.00 0.00 178.15 175.54 2k6x h GLU 32 N 0.35 0.26 -0.44 2.19 4.22 -1.26 -2.46 114.58 117.45 2k6x h GLU 32 Ca -0.01 -0.12 -0.04 0.00 0.08 0.00 0.00 59.36 59.28 2k6x h GLU 32 Cb 1.16 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 2k6x h GLU 32 CO 0.11 0.61 0.12 0.00 -2.18 0.00 0.00 179.01 177.67 2k6x h ARG 33 N -0.10 0.65 -0.68 1.92 2.47 -1.07 -2.01 114.38 115.56 2k6x h ARG 33 Ca 0.03 -0.11 -0.00 0.00 -1.26 0.00 0.00 59.98 58.63 2k6x h ARG 33 Cb 0.54 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.72 2k6x h ARG 33 CO 0.02 0.59 0.41 -0.09 0.56 0.00 0.00 179.97 181.46 2k6x h ARG 34 N 0.64 0.92 -0.50 0.04 9.65 -1.11 -0.51 114.38 123.50 2k6x h ARG 34 Ca 0.15 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 2k6x h ARG 34 Cb 0.22 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 2k6x h ARG 34 CO -0.01 0.64 0.32 0.82 2.80 0.00 0.00 179.97 184.54 2k6x h ILE 35 N 0.94 1.14 -0.20 1.20 2.04 -0.89 0.18 117.51 121.91 2k6x h ILE 35 Ca 0.25 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 2k6x h ILE 35 Cb -0.04 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2k6x h ILE 35 CO -0.05 0.14 -0.31 0.11 0.00 0.00 0.00 178.15 178.04 2k6x h LYS 36 N 0.68 0.41 -0.77 2.37 6.56 -1.39 0.17 116.57 124.60 2k6x h LYS 36 Ca 0.18 -0.17 0.03 0.00 -1.06 0.00 0.00 60.65 59.63 2k6x h LYS 36 Cb -0.04 -0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 31.55 2k6x h LYS 36 CO -0.04 0.68 0.49 0.87 -2.06 0.00 0.00 179.45 179.39 2k6x h LYS 37 N 0.36 0.92 -0.19 3.15 1.79 -0.18 0.26 116.57 122.68 2k6x h LYS 37 Ca 0.05 -0.06 -0.14 0.00 -2.18 0.00 0.00 60.65 58.32 2k6x h LYS 37 Cb 0.73 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 2k6x h LYS 37 CO 0.06 0.61 -0.46 -0.07 -1.08 0.00 0.00 179.45 178.50 2k6x h LEU 38 N 0.95 0.51 -1.16 2.94 -0.00 -0.32 0.06 115.31 118.28 2k6x h LEU 38 Ca 0.31 -0.24 -0.00 0.00 -0.00 0.00 0.00 57.88 57.94 2k6x h LEU 38 Cb 0.02 -0.14 -0.04 0.00 -0.00 0.00 0.00 40.66 40.50 2k6x h LEU 38 CO -0.11 0.90 0.47 0.40 -0.00 0.00 0.00 178.44 180.09 2k6x h ILE 39 N 0.38 1.21 -0.09 1.22 1.08 0.14 0.11 117.51 121.56 2k6x h ILE 39 Ca 0.02 -0.46 -0.02 0.00 -0.39 0.00 0.00 64.86 64.02 2k6x h ILE 39 Cb 0.96 0.12 -0.00 0.00 -3.07 0.00 0.00 36.82 34.83 2k6x h ILE 39 CO 0.08 0.22 -0.01 -1.28 -0.69 0.00 0.00 178.15 176.47 2k6x h SER 40 N 1.06 0.17 -0.39 1.72 0.87 -0.04 -2.09 113.55 114.85 2k6x h SER 40 Ca 0.28 -0.35 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2k6x h SER 40 Cb -0.05 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 2k6x h SER 40 CO -0.05 0.48 0.24 -0.07 -0.53 0.00 0.00 176.83 176.89 2k6x h LEU 41 N -0.14 0.47 -0.50 2.23 3.38 -0.52 0.34 115.31 120.57 2k6x h LEU 41 Ca 0.02 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 2k6x h LEU 41 Cb 0.40 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2k6x h LEU 41 CO 0.01 0.38 -0.32 1.23 0.09 0.00 0.00 178.44 179.82 2k6x h GLY 42 N 0.51 0.96 1.65 0.83 0.00 -0.84 0.10 103.07 106.28 2k6x h GLY 42 Ca 0.14 -0.92 -0.16 0.00 0.00 0.00 0.00 47.33 46.39 2k6x h GLY 42 CO -0.03 0.84 -0.64 1.70 0.00 0.00 0.00 176.54 178.41 2k6x h LYS 43 N 0.74 0.35 -0.81 4.80 3.64 -1.11 -1.69 116.57 122.49 2k6x h LYS 43 Ca 0.08 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 2k6x h LYS 43 Cb 0.89 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.72 2k6x h LYS 43 CO 0.08 0.88 0.46 -0.22 -2.27 0.00 0.00 179.45 178.38 2k6x h LYS 44 N 0.25 1.12 0.00 1.90 1.63 -0.02 -2.60 116.57 118.86 2k6x h LYS 44 Ca -0.01 -0.12 -0.02 0.00 -0.85 0.00 0.00 60.65 59.65 2k6x h LYS 44 Cb 1.18 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 32.58 2k6x h LYS 44 CO 0.11 0.81 -0.07 0.87 -3.45 0.00 0.00 179.45 177.72 2k6x h LYS 45 N 1.12 0.00 0.00 1.90 1.79 -0.18 -3.46 116.57 117.73 2k6x h LYS 45 Ca 0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 2k6x h LYS 45 Cb 0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 2k6x h LYS 45 CO -0.05 0.07 0.00 0.41 -1.08 0.00 0.00 179.45 178.80 2k6x n GLY 46 N -0.19 -0.45 3.30 3.86 0.00 -0.69 -5.08 105.19 105.94 2k6x n GLY 46 Ca -0.00 0.31 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 2k6x n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k6x s TYR 47 N 0.00 1.09 -1.06 1.61 2.02 -1.10 -4.82 117.35 115.09 2k6x s TYR 47 Ca 0.00 -1.30 -0.18 0.00 -0.37 0.00 0.00 57.07 55.23 2k6x s TYR 47 Cb 0.00 -0.42 0.13 0.00 -0.40 0.00 0.00 41.96 41.27 2k6x s TYR 47 CO 0.00 -0.76 1.31 0.96 -1.57 0.00 0.00 175.55 175.49 2k6x s ILE 48 N -3.98 4.67 -0.01 2.71 -5.25 -1.26 -3.20 121.20 114.88 2k6x s ILE 48 Ca 0.36 -1.83 -0.05 0.00 -0.99 0.00 0.00 60.65 58.14 2k6x s ILE 48 Cb 0.05 -4.89 0.00 0.00 2.95 0.00 0.00 42.46 40.57 2k6x s ILE 48 CO 0.14 -1.64 0.10 -0.89 -1.79 0.00 0.00 174.94 170.86 2k6x s THR 49 N 2.75 0.05 0.38 8.37 2.01 -1.26 0.11 115.64 128.05 2k6x s THR 49 Ca 0.39 -0.43 0.05 0.00 0.31 0.00 0.00 61.69 62.01 2k6x s THR 49 Cb -0.03 -0.29 0.25 0.00 0.01 0.00 0.00 72.50 72.44 2k6x s THR 49 CO -0.05 -0.24 2.01 0.22 -0.69 0.00 0.00 174.62 175.88 2k6x h TYR 50 N 5.07 0.62 -0.26 4.92 3.20 -0.49 0.33 116.97 130.37 2k6x h TYR 50 Ca -0.28 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.49 2k6x h TYR 50 Cb 1.20 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 2k6x h TYR 50 CO 0.52 0.42 -0.27 0.93 -1.64 0.00 0.00 178.16 178.13 2k6x h GLU 51 N 0.66 0.52 -0.01 1.82 5.08 -1.85 0.27 114.58 121.07 2k6x h GLU 51 Ca 0.17 -0.21 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 2k6x h GLU 51 Cb -0.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2k6x h GLU 51 CO -0.03 0.74 -0.58 -0.44 -1.00 0.00 0.00 179.01 177.70 2k6x h ASP 52 N 0.46 0.03 -0.28 1.42 3.32 -1.39 -1.35 116.42 118.62 2k6x h ASP 52 Ca 0.06 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 2k6x h ASP 52 Cb 0.70 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 2k6x h ASP 52 CO 0.05 0.61 -0.02 0.40 -1.72 0.00 0.00 179.24 178.57 2k6x h ILE 53 N 0.02 1.26 -0.77 0.35 1.08 0.02 -2.76 117.51 116.70 2k6x h ILE 53 Ca -0.01 -0.96 0.07 0.00 -0.39 0.00 0.00 64.86 63.57 2k6x h ILE 53 Cb 1.04 1.34 -0.05 0.00 -3.07 0.00 0.00 36.82 36.08 2k6x h ILE 53 CO 0.08 0.31 0.51 -0.78 -0.69 0.00 0.00 178.15 177.57 2k6x h ASP 54 N 0.28 0.73 1.48 1.72 3.58 -0.04 0.18 116.42 124.35 2k6x h ASP 54 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2k6x h ASP 54 Cb 0.45 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2k6x h ASP 54 CO 0.02 0.47 0.00 0.07 -2.88 0.00 0.00 179.24 176.91 2k6x h LYS 55 N 0.82 0.00 0.00 0.28 2.10 -1.25 -3.00 116.57 115.52 2k6x h LYS 55 Ca 0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.99 2k6x h LYS 55 Cb 0.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 2k6x h LYS 55 CO -0.12 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.33 2k6x h ALA 56 N 2.31 1.00 -2.80 0.07 0.00 -0.34 -3.45 119.26 116.05 2k6x h ALA 56 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 2k6x h ALA 56 Cb 0.74 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.62 2k6x h ALA 56 CO 0.00 0.00 0.51 -0.06 0.00 0.00 0.00 179.25 179.70 2k6x s PHE 57 N -3.33 2.62 0.34 0.00 0.08 -1.08 -4.13 117.98 112.48 2k6x s PHE 57 Ca 0.06 1.49 -0.26 0.00 0.12 0.00 0.00 56.93 58.33 2k6x s PHE 57 Cb 0.07 -3.50 -0.09 0.00 -0.57 0.00 0.00 43.02 38.93 2k6x s PHE 57 CO 0.61 -1.99 1.04 -2.14 -0.10 0.00 0.00 175.22 172.64 2k6x s PRO 58 N -2.91 4.43 0.18 0.24 0.02 -1.26 -5.07 135.00 130.63 2k6x s PRO 58 Ca 0.69 1.57 0.03 0.00 0.02 0.00 0.00 61.00 63.31 2k6x s PRO 58 Cb -0.32 -2.84 0.03 0.00 0.02 0.00 0.00 34.50 31.40 2k6x s PRO 58 CO 0.37 0.08 0.24 -0.35 -0.33 0.00 0.00 177.00 177.01 2k6x n PRO 59 N 0.53 0.91 -0.68 5.54 -0.04 -1.26 -5.02 135.00 134.99 2k6x n PRO 59 Ca 0.02 -0.98 0.08 0.00 -0.04 0.00 0.00 63.50 62.58 2k6x n PRO 59 Cb 0.48 -0.06 0.36 0.00 -0.04 0.00 0.00 33.50 34.24 2k6x n PRO 59 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2k6x n ASP 60 N -2.71 4.86 -4.66 3.54 5.75 -1.26 -4.96 116.55 117.11 2k6x n ASP 60 Ca 0.05 -2.57 -0.44 0.00 -0.01 0.00 0.00 54.79 51.81 2k6x n ASP 60 Cb 0.19 -0.60 -0.04 0.00 -1.03 0.00 0.00 41.12 39.64 2k6x n ASP 60 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2k6x n PHE 61 N 0.92 2.43 0.21 2.11 3.72 -1.26 -4.84 117.46 120.75 2k6x n PHE 61 Ca 0.25 -0.26 0.10 0.00 -0.05 0.00 0.00 57.45 57.50 2k6x n PHE 61 Cb 0.95 -2.76 0.16 0.00 -0.94 0.00 0.00 39.48 36.90 2k6x n PHE 61 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2k6x h GLU 62 N 10.43 0.00 -1.64 -1.08 5.08 -1.93 -3.44 114.58 122.00 2k6x h GLU 62 Ca -0.49 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 57.97 2k6x h GLU 62 Cb 1.25 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.27 2k6x h GLU 62 CO 0.94 0.09 0.11 0.20 -1.00 0.00 0.00 179.01 179.36 2k6x s GLY 63 N -4.25 -0.40 0.02 -3.84 0.00 -1.26 -5.16 107.32 92.42 2k6x s GLY 63 Ca 0.06 2.73 0.05 0.00 0.00 0.00 0.00 44.72 47.56 2k6x s GLY 63 CO 0.68 2.85 -0.11 -0.11 0.00 0.00 0.00 173.10 176.41 2k6x s PHE 64 N 2.13 2.76 0.11 1.90 -0.12 -1.26 -4.91 117.98 118.60 2k6x s PHE 64 Ca -0.07 -0.12 -0.11 0.00 -0.05 0.00 0.00 56.93 56.58 2k6x s PHE 64 Cb -0.07 -1.56 0.01 0.00 -0.63 0.00 0.00 43.02 40.78 2k6x s PHE 64 CO -0.18 0.32 0.28 0.34 -0.05 0.00 0.00 175.22 175.94 2k6x s ASP 65 N -1.42 -0.02 0.41 1.98 2.15 -1.26 -5.04 116.67 113.47 2k6x s ASP 65 Ca 0.16 -0.56 0.10 0.00 0.43 0.00 0.00 52.55 52.68 2k6x s ASP 65 Cb -0.11 0.40 0.85 0.00 -0.30 0.00 0.00 42.92 43.77 2k6x s ASP 65 CO 0.07 -0.80 1.97 0.00 -0.17 0.00 0.00 175.17 176.24 2k6x h THR 66 N 2.58 1.14 -0.17 1.71 1.03 -2.02 -1.65 112.91 115.54 2k6x h THR 66 Ca -0.34 -0.57 -0.02 0.00 -0.01 0.00 0.00 66.41 65.47 2k6x h THR 66 Cb 1.22 1.05 -0.01 0.00 -1.07 0.00 0.00 68.15 69.34 2k6x h THR 66 CO 0.52 0.19 0.02 -1.13 -0.01 0.00 0.00 175.52 175.10 2k6x h ASN 67 N 0.26 0.21 -0.95 0.00 -0.00 -2.00 -0.61 115.58 112.50 2k6x h ASN 67 Ca 0.06 -0.02 0.12 0.00 -0.00 0.00 0.00 56.30 56.47 2k6x h ASN 67 Cb 0.25 -0.05 -0.08 0.00 -0.00 0.00 0.00 38.32 38.44 2k6x h ASN 67 CO 0.01 0.24 0.60 0.25 -0.00 0.00 0.00 177.43 178.53 2k6x h LEU 68 N 0.24 0.82 -0.82 0.34 5.85 -1.70 0.59 115.31 120.62 2k6x h LEU 68 Ca 0.06 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 2k6x h LEU 68 Cb 0.13 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 2k6x h LEU 68 CO -0.00 0.44 0.43 0.40 -0.34 0.00 0.00 178.44 179.36 2k6x h ILE 69 N 0.88 1.25 -0.44 4.05 1.08 -1.18 0.55 117.51 123.70 2k6x h ILE 69 Ca 0.47 -0.65 -0.12 0.00 -0.39 0.00 0.00 64.86 64.18 2k6x h ILE 69 Cb 0.55 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.46 2k6x h ILE 69 CO -0.23 0.28 -0.19 -0.33 -0.69 0.00 0.00 178.15 176.99 2k6x h GLU 70 N 1.15 0.90 -0.88 2.37 5.08 -1.16 -3.02 114.58 119.02 2k6x h GLU 70 Ca 0.29 -0.38 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2k6x h GLU 70 Cb 0.07 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 2k6x h GLU 70 CO -0.04 1.04 0.58 0.00 -1.00 0.00 0.00 179.01 179.58 2k6x h ARG 71 N 0.74 1.16 0.10 2.33 3.08 0.12 -0.40 114.38 121.52 2k6x h ARG 71 Ca 0.10 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2k6x h ARG 71 Cb 0.75 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2k6x h ARG 71 CO 0.06 0.77 -0.05 0.82 -1.07 0.00 0.00 179.97 180.50 2k6x h ILE 72 N 1.20 0.94 -0.10 2.04 2.04 0.18 0.14 117.51 123.94 2k6x h ILE 72 Ca 0.32 -0.14 -0.11 0.00 1.00 0.00 0.00 64.86 65.93 2k6x h ILE 72 Cb -0.13 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2k6x h ILE 72 CO -0.07 0.04 -0.42 1.12 0.00 0.00 0.00 178.15 178.82 2k6x h HIS 73 N -0.21 0.27 -0.09 1.37 2.07 -1.43 0.42 115.15 117.55 2k6x h HIS 73 Ca -0.01 -0.07 0.01 0.00 -2.85 0.00 0.00 60.37 57.44 2k6x h HIS 73 Cb 0.17 -0.06 -0.01 0.00 2.57 0.00 0.00 27.41 30.08 2k6x h HIS 73 CO -0.05 0.61 0.03 0.93 -3.07 0.00 0.00 177.93 176.38 2k6x h GLU 74 N 0.19 0.07 -0.32 5.12 5.08 -0.77 -1.32 114.58 122.63 2k6x h GLU 74 Ca 0.02 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2k6x h GLU 74 Cb 0.82 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 2k6x h GLU 74 CO 0.06 0.05 -0.01 0.93 -1.00 0.00 0.00 179.01 179.04 2k6x h GLU 75 N 0.07 0.50 -0.84 2.33 4.39 -0.41 0.37 114.58 120.98 2k6x h GLU 75 Ca 0.04 -0.10 0.05 0.00 0.34 0.00 0.00 59.36 59.69 2k6x h GLU 75 Cb 0.02 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.54 2k6x h GLU 75 CO -0.04 0.53 0.52 1.25 -1.16 0.00 0.00 179.01 180.11 2k6x h LEU 76 N 0.48 0.83 0.00 1.33 5.85 0.37 0.45 115.31 124.62 2k6x h LEU 76 Ca 0.10 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 2k6x h LEU 76 Cb 0.32 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2k6x h LEU 76 CO 0.01 0.54 -0.59 -0.08 -0.34 0.00 0.00 178.44 177.98 2k6x h GLU 77 N 0.96 0.01 -0.13 1.25 4.81 -0.65 -2.05 114.58 118.78 2k6x h GLU 77 Ca 0.36 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.47 2k6x h GLU 77 Cb 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2k6x h GLU 77 CO -0.16 1.01 -0.33 0.87 -0.73 0.00 0.00 179.01 179.67 2k6x h LYS 78 N -0.98 0.46 0.00 1.92 6.56 -0.31 -3.33 116.57 120.89 2k6x h LYS 78 Ca -0.16 -0.32 -0.22 0.00 -1.06 0.00 0.00 60.65 58.89 2k6x h LYS 78 Cb 1.16 0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 32.82 2k6x h LYS 78 CO -0.09 0.93 -1.87 0.72 -2.06 0.00 0.00 179.45 177.08 2k6x n HIS 79 N -4.37 0.50 -0.67 -1.35 8.25 0.12 -5.00 115.22 112.71 2k6x n HIS 79 Ca -0.07 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 2k6x n HIS 79 Cb 0.50 -0.97 0.00 0.00 1.12 0.00 0.00 29.99 30.63 2k6x n HIS 79 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k6x n GLY 80 N 1.51 0.86 3.66 -1.41 0.00 0.72 -4.98 105.19 105.55 2k6x n GLY 80 Ca -0.17 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 2k6x n GLY 80 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2k6x s ILE 81 N -2.00 4.01 -0.30 -0.61 2.07 -1.16 -4.94 121.20 118.27 2k6x s ILE 81 Ca 0.00 1.21 -0.12 0.00 -1.41 0.00 0.00 60.65 60.34 2k6x s ILE 81 Cb 0.00 -3.82 -0.04 0.00 0.13 0.00 0.00 42.46 38.73 2k6x s ILE 81 CO 0.00 -0.15 0.21 0.20 -1.91 0.00 0.00 174.94 173.29 2k6x s ASN 82 N 2.63 6.03 -0.10 4.50 0.02 -1.26 -4.56 114.94 122.20 2k6x s ASN 82 Ca 0.62 -0.14 -0.05 0.00 -1.02 0.00 0.00 52.86 52.27 2k6x s ASN 82 Cb -0.25 -2.13 0.05 0.00 0.02 0.00 0.00 41.25 38.94 2k6x s ASN 82 CO 0.21 -0.11 0.23 -0.63 0.02 0.00 0.00 177.10 176.83 2k6x s ILE 83 N 1.75 -0.10 0.21 0.60 1.01 -1.26 -4.83 121.20 118.57 2k6x s ILE 83 Ca 0.07 0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.87 2k6x s ILE 83 Cb -0.16 -0.37 -0.05 0.00 0.01 0.00 0.00 42.46 41.89 2k6x s ILE 83 CO 0.11 0.07 0.43 0.54 0.00 0.00 0.00 174.94 176.09 2k6x s VAL 84 N 1.46 5.15 -0.18 2.92 0.11 0.31 -4.80 120.40 125.36 2k6x s VAL 84 Ca -0.07 -0.14 0.18 0.00 -2.93 0.00 0.00 61.98 59.01 2k6x s VAL 84 Cb -0.11 -3.70 -0.02 0.00 -1.53 0.00 0.00 36.38 31.02 2k6x s VAL 84 CO -0.08 -0.15 1.08 -0.33 -3.33 0.00 0.00 175.10 172.28 2k6x h GLU 85 N 2.15 0.00 -0.12 1.54 4.39 -1.95 0.40 114.58 120.98 2k6x h GLU 85 Ca -0.47 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.17 2k6x h GLU 85 Cb 1.18 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.81 2k6x h GLU 85 CO 0.69 0.24 -0.05 -1.71 -1.16 0.00 0.00 179.01 177.02 2k6x n ASN 86 N -2.93 -3.36 -4.60 1.42 5.15 -1.26 -4.72 115.26 104.97 2k6x n ASN 86 Ca -0.04 0.06 -0.35 0.00 -0.60 0.00 0.00 54.58 53.66 2k6x n ASN 86 Cb 0.72 -1.08 -0.10 0.00 -0.53 0.00 0.00 39.78 38.79 2k6x n ASN 86 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 2k6x s GLU 87 N -2.02 3.92 0.48 1.20 -1.05 -1.26 -5.00 118.70 114.97 2k6x s GLU 87 Ca 0.00 -0.37 0.27 0.00 -0.15 0.00 0.00 54.97 54.73 2k6x s GLU 87 Cb 0.00 -3.24 1.03 0.00 -0.44 0.00 0.00 34.13 31.48 2k6x s GLU 87 CO 0.00 0.19 1.86 -1.35 0.95 0.00 0.00 175.26 176.91 2k6x h PRO 88 N 6.97 0.00 -5.69 -4.83 0.11 -2.06 -3.47 132.00 123.03 2k6x h PRO 88 Ca -0.37 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.43 2k6x h PRO 88 Cb 1.17 0.00 0.16 0.00 0.11 0.00 0.00 31.00 32.44 2k6x h PRO 88 CO 0.68 0.14 -0.85 -1.91 -0.21 0.00 0.00 178.00 175.84 2k6x n GLU 89 N -3.27 -3.28 -3.80 1.05 2.13 -1.26 -4.97 120.64 107.24 2k6x n GLU 89 Ca 0.01 0.77 -0.35 0.00 0.66 0.00 0.00 57.16 58.25 2k6x n GLU 89 Cb 0.40 -5.49 -0.11 0.00 0.27 0.00 0.00 31.44 26.51 2k6x n GLU 89 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2k6x s GLU 90 N -5.04 2.22 -0.41 5.31 2.02 -1.26 -4.92 118.70 116.62 2k6x s GLU 90 Ca 0.31 -2.31 0.07 0.00 0.02 0.00 0.00 54.97 53.07 2k6x s GLU 90 Cb -0.06 -3.58 0.23 0.00 0.10 0.00 0.00 34.13 30.82 2k6x s GLU 90 CO 0.77 -1.12 0.49 -1.91 0.02 0.00 0.00 175.26 173.51 2k6x n GLU 91 N 3.78 0.69 0.04 1.61 2.13 -1.26 -4.86 120.64 122.77 2k6x n GLU 91 Ca 0.04 -3.31 -0.01 0.00 0.66 0.00 0.00 57.16 54.55 2k6x n GLU 91 Cb 0.38 -1.40 -0.00 0.00 0.27 0.00 0.00 31.44 30.69 2k6x n GLU 91 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2k6x n GLU 92 N 1.75 0.03 0.09 5.31 1.02 -1.26 -4.75 120.64 122.82 2k6x n GLU 92 Ca 0.24 0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 57.26 2k6x n GLU 92 Cb 0.51 -0.56 -0.07 0.00 -0.02 0.00 0.00 31.44 31.30 2k6x n GLU 92 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2k6x h ILE 93 N -0.06 1.48 0.00 -3.67 1.08 -2.03 -3.47 117.51 110.85 2k6x h ILE 93 Ca -0.00 -2.79 0.00 0.00 -0.39 0.00 0.00 64.86 61.68 2k6x h ILE 93 Cb 0.07 2.66 0.00 0.00 -3.07 0.00 0.00 36.82 36.48 2k6x h ILE 93 CO -0.00 0.82 0.00 -1.20 -0.69 0.00 0.00 178.15 177.08 2k6x n SER 94 N -3.62 0.00 -3.72 1.72 7.64 -1.26 -4.69 113.62 109.68 2k6x n SER 94 Ca -0.06 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.69 2k6x n SER 94 Cb 0.90 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 64.01 2k6x n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k6x s ALA 95 N 0.00 -1.04 0.00 -0.43 0.00 -1.26 -5.09 121.76 113.94 2k6x s ALA 95 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.02 2k6x s ALA 95 Cb 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.58 2k6x s ALA 95 CO 0.00 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.95