#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 0.38 -0.89 1.61 3.41 -1.26 -4.90 113.62 111.97 2k6x n SER 26 Ca 0.00 -0.53 -0.10 0.00 -0.26 0.00 0.00 58.87 57.98 2k6x n SER 26 Cb 0.00 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 63.81 2k6x n SER 26 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2k6x n HIS 27 N -1.00 -0.14 -0.02 7.33 -0.00 -1.26 -4.89 115.22 115.24 2k6x n HIS 27 Ca 0.15 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.81 2k6x n HIS 27 Cb 0.26 -2.09 -0.02 0.00 -0.00 0.00 0.00 29.99 28.14 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 -2.49 0.16 -0.04 -0.41 0.00 -1.26 -4.51 117.12 108.57 2k6x n MET 28 Ca -0.11 0.07 0.06 0.00 0.00 0.00 0.00 57.70 57.72 2k6x n MET 28 Cb 0.41 -0.77 0.43 0.00 0.00 0.00 0.00 33.22 33.29 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 -0.28 0.54 0.00 0.03 0.11 -2.00 -0.68 132.00 129.72 2k6x h PRO 29 Ca -0.11 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.93 2k6x h PRO 29 Cb 0.78 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 2k6x h PRO 29 CO -0.07 0.36 -0.18 -0.56 -0.21 0.00 0.00 178.00 177.34 2k6x h GLN 30 N 0.55 0.00 -0.15 1.05 3.07 -1.98 -2.23 115.11 115.43 2k6x h GLN 30 Ca 0.19 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.87 2k6x h GLN 30 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.64 2k6x h GLN 30 CO -0.05 0.18 -0.15 0.82 0.09 0.00 0.00 178.83 179.72 2k6x h ILE 31 N 0.00 1.34 -0.61 1.86 1.08 -1.36 -1.23 117.51 118.60 2k6x h ILE 31 Ca -0.00 -1.31 0.07 0.00 -0.39 0.00 0.00 64.86 63.22 2k6x h ILE 31 Cb 0.49 1.86 -0.06 0.00 -3.07 0.00 0.00 36.82 36.05 2k6x h ILE 31 CO 0.02 0.39 0.29 -0.33 -0.69 0.00 0.00 178.15 177.83 2k6x h GLU 32 N 0.00 0.52 -0.68 2.37 5.08 -1.20 -0.80 114.58 119.87 2k6x h GLU 32 Ca 0.02 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2k6x h GLU 32 Cb 0.69 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2k6x h GLU 32 CO 0.04 0.34 0.13 0.00 -1.00 0.00 0.00 179.01 178.52 2k6x h ARG 33 N 0.53 1.11 -0.51 2.33 2.47 -1.40 -2.99 114.38 115.92 2k6x h ARG 33 Ca 0.29 -0.29 -0.11 0.00 -1.26 0.00 0.00 59.98 58.61 2k6x h ARG 33 Cb 0.26 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.42 2k6x h ARG 33 CO -0.23 1.00 -0.12 -0.09 0.56 0.00 0.00 179.97 181.09 2k6x h ARG 34 N 1.04 0.97 -0.48 0.04 9.65 -0.09 0.17 114.38 125.67 2k6x h ARG 34 Ca 0.21 -0.36 -0.01 0.00 -1.10 0.00 0.00 59.98 58.73 2k6x h ARG 34 Cb 0.42 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.91 2k6x h ARG 34 CO 0.01 1.03 0.28 0.82 2.80 0.00 0.00 179.97 184.91 2k6x h ILE 35 N 0.86 1.16 -0.50 1.20 2.04 -1.12 0.53 117.51 121.68 2k6x h ILE 35 Ca 0.13 -0.37 -0.11 0.00 1.00 0.00 0.00 64.86 65.52 2k6x h ILE 35 Cb 0.67 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2k6x h ILE 35 CO 0.05 0.16 -0.11 0.11 0.00 0.00 0.00 178.15 178.36 2k6x h LYS 36 N 0.64 0.93 -0.63 2.37 1.79 -1.33 -1.52 116.57 118.83 2k6x h LYS 36 Ca 0.17 -0.33 -0.01 0.00 -2.18 0.00 0.00 60.65 58.31 2k6x h LYS 36 Cb 0.01 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.57 2k6x h LYS 36 CO -0.03 0.99 0.37 0.87 -1.08 0.00 0.00 179.45 180.57 2k6x h LYS 37 N 0.83 0.86 -0.22 3.15 1.57 -0.14 -0.14 116.57 122.48 2k6x h LYS 37 Ca 0.13 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2k6x h LYS 37 Cb 0.64 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2k6x h LYS 37 CO 0.04 0.62 0.08 -0.07 -0.57 0.00 0.00 179.45 179.55 2k6x h LEU 38 N 0.85 0.32 -1.25 2.94 3.38 0.42 0.35 115.31 122.32 2k6x h LEU 38 Ca 0.22 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2k6x h LEU 38 Cb -0.01 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2k6x h LEU 38 CO -0.04 0.42 0.05 0.40 0.09 0.00 0.00 178.44 179.36 2k6x h ILE 39 N 0.19 1.19 -0.14 1.22 5.03 -1.19 0.12 117.51 123.93 2k6x h ILE 39 Ca 0.07 -0.71 -0.02 0.00 -0.12 0.00 0.00 64.86 64.08 2k6x h ILE 39 Cb 0.21 0.85 -0.01 0.00 -3.03 0.00 0.00 36.82 34.84 2k6x h ILE 39 CO -0.00 0.25 0.01 -1.28 -0.68 0.00 0.00 178.15 176.45 2k6x h SER 40 N 0.55 0.23 -0.32 1.72 0.87 -0.33 -2.24 113.55 114.03 2k6x h SER 40 Ca 0.12 -0.28 0.01 0.00 -1.23 0.00 0.00 61.79 60.42 2k6x h SER 40 Cb 0.27 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 2k6x h SER 40 CO 0.00 0.45 0.19 -0.07 -0.53 0.00 0.00 176.83 176.87 2k6x h LEU 41 N -0.00 0.30 -1.24 2.23 3.38 0.20 0.13 115.31 120.31 2k6x h LEU 41 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2k6x h LEU 41 Cb 0.32 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2k6x h LEU 41 CO 0.00 0.22 0.19 1.23 0.09 0.00 0.00 178.44 180.18 2k6x h GLY 42 N 0.39 0.77 1.29 0.83 0.00 -0.95 0.48 103.07 105.88 2k6x h GLY 42 Ca 0.13 -0.38 -0.24 0.00 0.00 0.00 0.00 47.33 46.84 2k6x h GLY 42 CO -0.06 0.36 -0.92 1.70 0.00 0.00 0.00 176.54 177.62 2k6x h LYS 43 N 0.71 0.66 0.00 4.80 3.64 -0.69 -0.67 116.57 125.01 2k6x h LYS 43 Ca 0.17 -0.64 -0.07 0.00 -1.27 0.00 0.00 60.65 58.85 2k6x h LYS 43 Cb 0.15 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2k6x h LYS 43 CO -0.02 1.24 -0.33 1.57 -2.27 0.00 0.00 179.45 179.65 2k6x h LYS 44 N 0.40 0.00 -0.01 1.90 2.10 -0.32 -1.59 116.57 119.06 2k6x h LYS 44 Ca -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 2k6x h LYS 44 Cb 1.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.89 2k6x h LYS 44 CO 0.18 0.33 -0.16 1.63 -2.00 0.00 0.00 179.45 179.43 2k6x n LYS 45 N -3.60 0.81 0.00 0.07 4.76 0.12 -4.95 118.16 115.37 2k6x n LYS 45 Ca -0.01 -0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.06 2k6x n LYS 45 Cb 0.45 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 2k6x n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k6x n GLY 46 N 1.29 0.67 3.17 0.72 0.00 -0.51 -5.04 105.19 105.49 2k6x n GLY 46 Ca 0.14 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 0.76 -1.10 1.61 2.02 -0.38 -4.75 117.35 115.51 2k6x s TYR 47 Ca 0.00 -1.15 -0.18 0.00 -0.37 0.00 0.00 57.07 55.37 2k6x s TYR 47 Cb 0.00 -0.41 0.11 0.00 -0.40 0.00 0.00 41.96 41.26 2k6x s TYR 47 CO 0.00 -0.54 1.42 0.96 -1.57 0.00 0.00 175.55 175.82 2k6x s ILE 48 N -4.02 4.49 -0.01 2.71 -5.25 -1.26 -2.78 121.20 115.07 2k6x s ILE 48 Ca 0.22 -1.74 -0.04 0.00 -0.99 0.00 0.00 60.65 58.10 2k6x s ILE 48 Cb 0.07 -4.97 -0.00 0.00 2.95 0.00 0.00 42.46 40.51 2k6x s ILE 48 CO 0.00 -1.75 0.08 -0.89 -1.79 0.00 0.00 174.94 170.60 2k6x s THR 49 N 3.27 0.06 0.35 8.37 2.01 -1.25 0.42 115.64 128.87 2k6x s THR 49 Ca 0.43 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.94 2k6x s THR 49 Cb -0.01 -0.30 0.25 0.00 0.01 0.00 0.00 72.50 72.46 2k6x s THR 49 CO -0.03 -0.28 2.00 0.22 -0.69 0.00 0.00 174.62 175.84 2k6x h TYR 50 N 4.94 0.77 -0.23 4.92 3.20 -0.96 -0.70 116.97 128.91 2k6x h TYR 50 Ca -0.29 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.49 2k6x h TYR 50 Cb 1.20 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 2k6x h TYR 50 CO 0.55 0.50 -0.27 0.93 -1.64 0.00 0.00 178.16 178.23 2k6x h GLU 51 N 0.83 0.45 -0.00 1.82 5.08 -1.83 -2.46 114.58 118.47 2k6x h GLU 51 Ca 0.22 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 2k6x h GLU 51 Cb -0.06 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2k6x h GLU 51 CO -0.04 0.69 -0.36 -0.44 -1.00 0.00 0.00 179.01 177.85 2k6x h ASP 52 N 0.40 0.00 0.02 1.42 5.19 -1.48 -1.42 116.42 120.56 2k6x h ASP 52 Ca 0.06 -0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2k6x h ASP 52 Cb 0.68 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.19 2k6x h ASP 52 CO 0.05 0.36 -0.01 0.40 -3.12 0.00 0.00 179.24 176.92 2k6x h ILE 53 N 0.00 0.98 -0.66 0.35 1.08 -0.71 -1.14 117.51 117.42 2k6x h ILE 53 Ca -0.00 -0.01 -0.05 0.00 -0.39 0.00 0.00 64.86 64.41 2k6x h ILE 53 Cb 0.64 0.99 -0.03 0.00 -3.07 0.00 0.00 36.82 35.34 2k6x h ILE 53 CO 0.05 0.00 0.22 -0.78 -0.69 0.00 0.00 178.15 176.95 2k6x h ASP 54 N -0.04 0.91 1.15 1.72 1.82 -1.28 -1.54 116.42 119.18 2k6x h ASP 54 Ca -0.00 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.49 2k6x h ASP 54 Cb 0.03 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 39.80 2k6x h ASP 54 CO 0.01 0.84 0.00 2.29 -1.61 0.00 0.00 179.24 180.77 2k6x n LYS 55 N -4.28 0.24 0.22 0.28 -0.00 -0.57 -2.13 118.16 111.92 2k6x n LYS 55 Ca 0.05 0.32 0.14 0.00 -0.00 0.00 0.00 58.31 58.83 2k6x n LYS 55 Cb 0.20 -1.85 0.44 0.00 -0.00 0.00 0.00 35.03 33.82 2k6x n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k6x h ALA 56 N 2.39 1.00 -2.67 0.58 0.00 -0.13 -3.45 119.26 116.97 2k6x h ALA 56 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 2k6x h ALA 56 Cb 0.58 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.45 2k6x h ALA 56 CO 0.00 0.00 0.84 0.34 0.00 0.00 0.00 179.25 180.43 2k6x n PHE 57 N -2.92 2.71 -2.37 0.00 7.35 -0.91 -3.32 117.46 118.00 2k6x n PHE 57 Ca 0.03 0.27 -0.42 0.00 -0.76 0.00 0.00 57.45 56.57 2k6x n PHE 57 Cb 0.39 -2.58 -0.03 0.00 0.35 0.00 0.00 39.48 37.61 2k6x n PHE 57 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2k6x s PRO 58 N -0.33 4.44 0.00 -7.13 0.04 -1.26 -5.10 135.00 125.67 2k6x s PRO 58 Ca 0.66 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.56 2k6x s PRO 58 Cb -0.53 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 30.72 2k6x s PRO 58 CO 0.47 -0.21 0.00 -0.35 0.04 0.00 0.00 177.00 176.95 2k6x n PRO 59 N 3.32 2.99 -0.57 0.56 -0.05 -1.21 -5.00 135.00 135.04 2k6x n PRO 59 Ca 0.07 0.00 0.09 0.00 -0.05 0.00 0.00 63.50 63.62 2k6x n PRO 59 Cb 0.45 0.00 0.34 0.00 -0.05 0.00 0.00 33.50 34.25 2k6x n PRO 59 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 2k6x n ASP 60 N 0.00 4.53 -4.66 3.54 2.03 -1.26 -4.97 116.55 115.75 2k6x n ASP 60 Ca 0.00 -2.37 -0.42 0.00 0.52 0.00 0.00 54.79 52.51 2k6x n ASP 60 Cb 0.00 -0.56 -0.03 0.00 -0.72 0.00 0.00 41.12 39.81 2k6x n ASP 60 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2k6x s PHE 61 N -1.74 2.27 -0.22 -0.67 -0.71 -1.26 -4.87 117.98 110.79 2k6x s PHE 61 Ca 0.49 0.47 0.18 0.00 -1.04 0.00 0.00 56.93 57.03 2k6x s PHE 61 Cb 0.31 -3.78 0.09 0.00 -1.21 0.00 0.00 43.02 38.43 2k6x s PHE 61 CO 0.25 -3.14 1.35 0.93 -1.34 0.00 0.00 175.22 173.28 2k6x h GLU 62 N 9.07 0.00 -1.95 1.99 5.08 -1.94 -3.46 114.58 123.37 2k6x h GLU 62 Ca -0.35 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.06 2k6x h GLU 62 Cb 1.15 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.19 2k6x h GLU 62 CO 0.96 0.31 -0.02 0.20 -1.00 0.00 0.00 179.01 179.46 2k6x s GLY 63 N -4.44 -0.63 -0.10 -3.84 0.00 -1.26 -5.15 107.32 91.89 2k6x s GLY 63 Ca 0.03 2.45 0.01 0.00 0.00 0.00 0.00 44.72 47.21 2k6x s GLY 63 CO 0.74 2.70 -0.12 -0.12 0.00 0.00 0.00 173.10 176.31 2k6x s PHE 64 N 2.15 2.81 0.05 1.90 5.36 -1.26 -5.02 117.98 123.96 2k6x s PHE 64 Ca -0.08 -0.38 -0.16 0.00 -0.96 0.00 0.00 56.93 55.35 2k6x s PHE 64 Cb -0.08 -1.77 0.03 0.00 -0.34 0.00 0.00 43.02 40.86 2k6x s PHE 64 CO -0.19 -0.01 0.36 0.34 -1.46 0.00 0.00 175.22 174.25 2k6x s ASP 65 N -0.12 -0.20 0.50 6.13 2.15 -1.26 -5.03 116.67 118.83 2k6x s ASP 65 Ca -0.01 -0.12 0.20 0.00 0.43 0.00 0.00 52.55 53.05 2k6x s ASP 65 Cb -0.14 0.40 1.27 0.00 -0.30 0.00 0.00 42.92 44.15 2k6x s ASP 65 CO 0.03 -0.66 2.07 0.74 -0.17 0.00 0.00 175.17 177.19 2k6x h THR 66 N 3.06 0.88 -0.25 1.71 2.02 -2.02 -1.24 112.91 117.07 2k6x h THR 66 Ca -0.32 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 2k6x h THR 66 Cb 1.21 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 2k6x h THR 66 CO 0.45 0.12 0.09 -1.13 0.37 0.00 0.00 175.52 175.42 2k6x h ASN 67 N 0.00 0.31 -0.88 4.18 -1.24 -2.00 -1.48 115.58 114.46 2k6x h ASN 67 Ca -0.00 -0.02 -0.00 0.00 0.71 0.00 0.00 56.30 56.98 2k6x h ASN 67 Cb 0.25 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 39.17 2k6x h ASN 67 CO 0.02 0.29 0.54 0.25 -1.29 0.00 0.00 177.43 177.24 2k6x h LEU 68 N 0.35 1.05 -0.28 0.34 5.85 -1.63 0.61 115.31 121.60 2k6x h LEU 68 Ca 0.09 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2k6x h LEU 68 Cb 0.09 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 2k6x h LEU 68 CO -0.01 0.79 0.12 0.40 -0.34 0.00 0.00 178.44 179.41 2k6x h ILE 69 N 1.21 1.16 -0.12 4.05 1.08 -1.32 0.62 117.51 124.19 2k6x h ILE 69 Ca 0.32 -0.48 -0.10 0.00 -0.39 0.00 0.00 64.86 64.20 2k6x h ILE 69 Cb -0.07 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 34.64 2k6x h ILE 69 CO -0.06 0.17 -0.37 1.05 -0.69 0.00 0.00 178.15 178.24 2k6x h GLU 70 N 0.31 0.26 -0.22 2.37 4.11 -1.43 -2.81 114.58 117.16 2k6x h GLU 70 Ca 0.09 -0.11 -0.14 0.00 0.07 0.00 0.00 59.36 59.27 2k6x h GLU 70 Cb 0.15 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2k6x h GLU 70 CO -0.01 0.60 -0.46 -0.09 0.07 0.00 0.00 179.01 179.12 2k6x h ARG 71 N 0.22 0.56 0.09 1.06 9.65 -0.03 -2.23 114.38 123.69 2k6x h ARG 71 Ca 0.02 -0.31 -0.00 0.00 -1.10 0.00 0.00 59.98 58.59 2k6x h ARG 71 Cb 0.76 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.36 2k6x h ARG 71 CO 0.06 0.90 -0.05 0.82 2.80 0.00 0.00 179.97 184.51 2k6x h ILE 72 N 0.45 0.90 -0.16 1.20 2.04 0.48 0.29 117.51 122.71 2k6x h ILE 72 Ca 0.03 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.78 2k6x h ILE 72 Cb 0.98 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 2k6x h ILE 72 CO 0.09 0.00 -0.38 1.12 0.00 0.00 0.00 178.15 178.98 2k6x h HIS 73 N -0.13 0.40 0.06 1.37 2.07 -1.54 0.38 115.15 117.76 2k6x h HIS 73 Ca -0.01 -0.10 -0.00 0.00 -2.85 0.00 0.00 60.37 57.40 2k6x h HIS 73 Cb 0.10 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 29.99 2k6x h HIS 73 CO -0.08 0.68 -0.03 0.93 -3.07 0.00 0.00 177.93 176.37 2k6x h GLU 74 N 0.29 -0.07 0.00 5.12 5.08 -0.98 -2.36 114.58 121.66 2k6x h GLU 74 Ca 0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2k6x h GLU 74 Cb 0.80 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 2k6x h GLU 74 CO 0.06 -0.05 -0.16 0.93 -1.00 0.00 0.00 179.01 178.79 2k6x h GLU 75 N -0.07 0.00 -0.39 2.33 4.39 -0.13 0.58 114.58 121.27 2k6x h GLU 75 Ca -0.01 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.74 2k6x h GLU 75 Cb 0.06 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.66 2k6x h GLU 75 CO 0.01 0.16 0.12 1.25 -1.16 0.00 0.00 179.01 179.39 2k6x h LEU 76 N 0.00 0.09 0.00 1.33 5.85 0.29 0.60 115.31 123.47 2k6x h LEU 76 Ca -0.00 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 2k6x h LEU 76 Cb 0.41 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2k6x h LEU 76 CO 0.02 0.09 -0.44 -0.08 -0.34 0.00 0.00 178.44 177.69 2k6x h GLU 77 N 0.26 0.00 -0.32 1.25 4.57 -1.14 -2.77 114.58 116.44 2k6x h GLU 77 Ca 0.18 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.28 2k6x h GLU 77 Cb 0.19 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 2k6x h GLU 77 CO -0.21 0.95 -0.14 -0.22 -1.18 0.00 0.00 179.01 178.21 2k6x h LYS 78 N -1.00 0.65 0.00 1.92 3.64 0.12 -3.20 116.57 118.69 2k6x h LYS 78 Ca -0.12 -0.28 -0.15 0.00 -1.27 0.00 0.00 60.65 58.83 2k6x h LYS 78 Cb 1.06 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 2k6x h LYS 78 CO -0.07 0.86 -1.72 0.72 -2.27 0.00 0.00 179.45 176.97 2k6x n HIS 79 N -4.39 0.54 -0.35 1.91 8.25 0.19 -4.99 115.22 116.37 2k6x n HIS 79 Ca -0.03 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 2k6x n HIS 79 Cb 0.37 -0.91 0.00 0.00 1.12 0.00 0.00 29.99 30.57 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 1.42 1.01 3.78 -1.41 0.00 0.12 -4.99 105.19 105.11 2k6x n GLY 80 Ca -0.12 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 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 3.78 -0.19 -0.61 2.07 -1.07 -4.99 121.20 118.19 2k6x s ILE 81 Ca 0.00 1.34 -0.07 0.00 -1.41 0.00 0.00 60.65 60.51 2k6x s ILE 81 Cb 0.00 -3.68 -0.04 0.00 0.13 0.00 0.00 42.46 38.87 2k6x s ILE 81 CO 0.00 -0.01 0.06 0.20 -1.91 0.00 0.00 174.94 173.28 2k6x s ASN 82 N -1.62 5.54 -0.28 4.50 0.02 -1.26 -4.67 114.94 117.17 2k6x s ASN 82 Ca 0.58 0.03 -0.23 0.00 -1.02 0.00 0.00 52.86 52.22 2k6x s ASN 82 Cb -0.21 -1.96 0.12 0.00 0.02 0.00 0.00 41.25 39.23 2k6x s ASN 82 CO 0.26 0.14 0.98 -0.51 0.02 0.00 0.00 177.10 178.00 2k6x s ILE 83 N 0.58 0.00 0.12 0.60 1.10 -1.26 -4.93 121.20 117.41 2k6x s ILE 83 Ca 0.03 0.00 0.06 0.00 -0.51 0.00 0.00 60.65 60.23 2k6x s ILE 83 Cb -0.13 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.44 2k6x s ILE 83 CO 0.01 0.00 -0.00 0.54 -2.11 0.00 0.00 174.94 173.38 2k6x s VAL 84 N 0.49 3.89 -0.16 4.00 0.11 0.17 -4.95 120.40 123.95 2k6x s VAL 84 Ca 0.00 -1.15 0.19 0.00 -2.93 0.00 0.00 61.98 58.09 2k6x s VAL 84 Cb -0.05 -2.89 -0.08 0.00 -1.53 0.00 0.00 36.38 31.83 2k6x s VAL 84 CO -0.08 0.04 0.92 -0.33 -3.33 0.00 0.00 175.10 172.32 2k6x h GLU 85 N 3.17 0.00 0.00 1.54 5.08 -1.95 0.13 114.58 122.56 2k6x h GLU 85 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2k6x h GLU 85 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2k6x h GLU 85 CO 0.59 0.20 0.00 -1.71 -1.00 0.00 0.00 179.01 177.09 2k6x n ASN 86 N -2.84 -0.90 -4.31 1.42 5.15 -1.26 -4.53 115.26 107.99 2k6x n ASN 86 Ca -0.06 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.59 2k6x n ASN 86 Cb 0.74 -0.67 -0.15 0.00 -0.53 0.00 0.00 39.78 39.17 2k6x n ASN 86 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2k6x s GLU 87 N -0.26 3.29 0.26 1.20 2.02 -1.26 -5.12 118.70 118.82 2k6x s GLU 87 Ca 0.00 -0.72 -0.07 0.00 0.02 0.00 0.00 54.97 54.20 2k6x s GLU 87 Cb 0.00 -2.62 -0.06 0.00 0.10 0.00 0.00 34.13 31.55 2k6x s GLU 87 CO 0.00 0.11 0.54 -1.25 0.02 0.00 0.00 175.26 174.68 2k6x s PRO 88 N 0.61 3.70 -1.50 0.39 0.05 -1.26 -4.99 135.00 131.99 2k6x s PRO 88 Ca -0.08 0.11 -0.13 0.00 0.05 0.00 0.00 61.00 60.96 2k6x s PRO 88 Cb -0.16 -2.65 -0.01 0.00 0.05 0.00 0.00 34.50 31.73 2k6x s PRO 88 CO 0.03 0.26 2.48 -1.91 0.05 0.00 0.00 177.00 177.92 2k6x n GLU 89 N -0.57 3.12 -3.83 4.56 2.13 -1.26 -4.51 120.64 120.28 2k6x n GLU 89 Ca -0.01 -2.44 -0.25 0.00 0.66 0.00 0.00 57.16 55.12 2k6x n GLU 89 Cb 0.53 -3.10 0.01 0.00 0.27 0.00 0.00 31.44 29.14 2k6x n GLU 89 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2k6x n GLU 90 N 5.22 -3.37 -3.05 5.31 1.02 -1.26 -4.95 120.64 119.55 2k6x n GLU 90 Ca 0.61 0.48 -0.35 0.00 -0.02 0.00 0.00 57.16 57.88 2k6x n GLU 90 Cb 0.33 -4.64 -0.06 0.00 -0.02 0.00 0.00 31.44 27.05 2k6x n GLU 90 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2k6x s GLU 91 N -6.27 4.24 -0.15 3.49 2.02 -1.26 -4.96 118.70 115.81 2k6x s GLU 91 Ca 0.09 0.90 -0.05 0.00 0.02 0.00 0.00 54.97 55.92 2k6x s GLU 91 Cb -0.03 -2.74 -0.07 0.00 0.10 0.00 0.00 34.13 31.39 2k6x s GLU 91 CO 0.86 0.31 -0.18 0.39 0.02 0.00 0.00 175.26 176.67 2k6x n GLU 92 N 0.41 0.32 -0.93 1.61 1.02 0.76 -4.41 120.64 119.42 2k6x n GLU 92 Ca -0.00 0.12 0.05 0.00 -0.02 0.00 0.00 57.16 57.31 2k6x n GLU 92 Cb 0.51 -1.08 0.39 0.00 -0.02 0.00 0.00 31.44 31.24 2k6x n GLU 92 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2k6x n ILE 93 N -3.49 2.82 -3.38 -3.67 -0.00 -1.18 -4.90 119.36 105.56 2k6x n ILE 93 Ca -0.28 -1.46 -0.23 0.00 -0.00 0.00 0.00 62.75 60.78 2k6x n ILE 93 Cb 0.72 -0.29 -0.01 0.00 -0.00 0.00 0.00 39.64 40.06 2k6x n ILE 93 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2k6x n SER 94 N 0.48 -3.44 -1.72 7.28 3.41 -1.26 -4.77 113.62 113.60 2k6x n SER 94 Ca 0.30 -0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2k6x n SER 94 Cb 1.24 -2.86 0.01 0.00 -0.26 0.00 0.00 64.21 62.34 2k6x n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k6x n ALA 95 N -3.47 2.78 -0.11 7.33 0.00 -1.26 -5.09 120.51 120.68 2k6x n ALA 95 Ca -0.01 -1.92 0.00 0.00 0.00 0.00 0.00 53.44 51.52 2k6x n ALA 95 Cb 0.53 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.31 2k6x n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91