#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6x s SER 26 N 0.00 0.65 -0.85 1.61 0.15 -1.26 -4.92 113.70 109.08 2k6x s SER 26 Ca 0.00 -0.03 -0.03 0.00 0.70 0.00 0.00 55.95 56.59 2k6x s SER 26 Cb 0.00 -0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 64.04 2k6x s SER 26 CO 0.00 -0.12 0.75 1.41 1.20 0.00 0.00 173.24 176.47 2k6x n HIS 27 N 4.35 -2.68 -3.63 3.44 -0.00 -1.26 -5.01 115.22 110.43 2k6x n HIS 27 Ca -0.22 0.99 -0.28 0.00 -0.00 0.00 0.00 57.72 58.20 2k6x n HIS 27 Cb 0.50 -3.92 -0.12 0.00 -0.00 0.00 0.00 29.99 26.46 2k6x n HIS 27 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2k6x s MET 28 N -3.77 1.42 0.51 -0.41 1.00 -1.26 -4.94 119.30 111.85 2k6x s MET 28 Ca 0.14 -2.36 0.27 0.00 0.00 0.00 0.00 55.69 53.74 2k6x s MET 28 Cb -0.03 -2.24 1.37 0.00 0.00 0.00 0.00 34.83 33.93 2k6x s MET 28 CO 0.77 -1.28 2.03 -1.35 0.00 0.00 0.00 175.02 175.20 2k6x h PRO 29 N 6.01 0.00 -0.14 2.03 0.11 -2.02 -3.02 132.00 134.96 2k6x h PRO 29 Ca 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 2k6x h PRO 29 Cb 0.88 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 2k6x h PRO 29 CO 0.49 0.14 0.06 -0.56 -0.21 0.00 0.00 178.00 177.92 2k6x h GLN 30 N 0.00 0.19 -0.21 1.05 -0.00 -2.00 -1.65 115.11 112.49 2k6x h GLN 30 Ca -0.00 -0.02 -0.13 0.00 -0.00 0.00 0.00 58.65 58.50 2k6x h GLN 30 Cb 0.40 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 27.83 2k6x h GLN 30 CO 0.02 0.16 -0.43 0.97 -0.00 0.00 0.00 178.83 179.55 2k6x h ILE 31 N 0.19 1.31 -0.33 1.86 6.09 -1.90 0.14 117.51 124.86 2k6x h ILE 31 Ca 0.05 -1.61 -0.11 0.00 -1.37 0.00 0.00 64.86 61.82 2k6x h ILE 31 Cb 0.04 1.61 -0.01 0.00 0.47 0.00 0.00 36.82 38.93 2k6x h ILE 31 CO -0.01 0.50 -0.21 -0.33 -3.07 0.00 0.00 178.15 175.04 2k6x h GLU 32 N 0.42 0.73 -0.67 2.19 5.08 -1.48 -1.76 114.58 119.09 2k6x h GLU 32 Ca 0.03 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 58.00 2k6x h GLU 32 Cb 0.93 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 2k6x h GLU 32 CO 0.08 0.95 0.21 0.00 -1.00 0.00 0.00 179.01 179.25 2k6x h ARG 33 N 0.50 1.02 -0.49 2.33 2.47 -1.34 -2.50 114.38 116.37 2k6x h ARG 33 Ca 0.07 -0.20 -0.00 0.00 -1.26 0.00 0.00 59.98 58.58 2k6x h ARG 33 Cb 0.76 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.90 2k6x h ARG 33 CO 0.06 0.87 0.29 -0.09 0.56 0.00 0.00 179.97 181.66 2k6x h ARG 34 N 0.99 0.66 -0.30 0.04 9.65 -0.61 -0.46 114.38 124.35 2k6x h ARG 34 Ca 0.22 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 2k6x h ARG 34 Cb 0.27 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 2k6x h ARG 34 CO -0.01 0.46 0.19 0.82 2.80 0.00 0.00 179.97 184.23 2k6x h ILE 35 N 0.67 1.09 -0.43 1.20 2.04 -0.86 0.57 117.51 121.80 2k6x h ILE 35 Ca 0.18 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.75 2k6x h ILE 35 Cb -0.02 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2k6x h ILE 35 CO -0.03 0.09 -0.13 0.11 0.00 0.00 0.00 178.15 178.18 2k6x h LYS 36 N 0.39 0.78 -0.41 2.37 1.79 -1.34 0.02 116.57 120.18 2k6x h LYS 36 Ca 0.11 -0.27 -0.04 0.00 -2.18 0.00 0.00 60.65 58.27 2k6x h LYS 36 Cb -0.02 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 2k6x h LYS 36 CO -0.02 0.87 0.10 -0.22 -1.08 0.00 0.00 179.45 179.10 2k6x h LYS 37 N 0.70 0.65 -0.25 3.15 1.63 -0.69 0.16 116.57 121.92 2k6x h LYS 37 Ca 0.12 -0.15 -0.05 0.00 -0.85 0.00 0.00 60.65 59.71 2k6x h LYS 37 Cb 0.61 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 2k6x h LYS 37 CO 0.04 0.66 -0.04 1.25 -3.45 0.00 0.00 179.45 177.91 2k6x h LEU 38 N 0.52 0.47 -1.31 5.20 5.85 0.45 0.32 115.31 126.80 2k6x h LEU 38 Ca 0.13 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 2k6x h LEU 38 Cb 0.30 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2k6x h LEU 38 CO 0.00 0.71 0.11 0.40 -0.34 0.00 0.00 178.44 179.31 2k6x h ILE 39 N 0.22 1.17 -0.26 4.05 5.03 -0.95 -1.96 117.51 124.82 2k6x h ILE 39 Ca 0.07 -0.61 -0.05 0.00 -0.12 0.00 0.00 64.86 64.15 2k6x h ILE 39 Cb 0.49 0.76 -0.01 0.00 -3.03 0.00 0.00 36.82 35.04 2k6x h ILE 39 CO 0.02 0.22 -0.04 -1.28 -0.68 0.00 0.00 178.15 176.39 2k6x h SER 40 N 0.56 0.48 -0.73 1.72 0.87 -0.06 -2.42 113.55 113.98 2k6x h SER 40 Ca 0.13 -0.35 0.02 0.00 -1.23 0.00 0.00 61.79 60.36 2k6x h SER 40 Cb 0.20 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.99 2k6x h SER 40 CO -0.01 0.72 0.47 -0.07 -0.53 0.00 0.00 176.83 177.41 2k6x h LEU 41 N 0.24 0.80 -0.97 2.23 3.38 0.07 0.22 115.31 121.27 2k6x h LEU 41 Ca 0.07 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 2k6x h LEU 41 Cb 0.50 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2k6x h LEU 41 CO 0.02 0.57 -0.20 1.23 0.09 0.00 0.00 178.44 180.15 2k6x h GLY 42 N 0.94 0.56 1.23 0.83 0.00 -1.35 0.41 103.07 105.70 2k6x h GLY 42 Ca 0.28 -0.43 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 2k6x h GLY 42 CO -0.08 0.40 -0.26 1.70 0.00 0.00 0.00 176.54 178.29 2k6x h LYS 43 N 0.46 0.87 -0.53 4.80 1.63 -0.71 0.13 116.57 123.22 2k6x h LYS 43 Ca 0.08 -0.38 -0.08 0.00 -0.85 0.00 0.00 60.65 59.41 2k6x h LYS 43 Cb 0.61 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 2k6x h LYS 43 CO 0.04 1.03 0.02 0.87 -3.45 0.00 0.00 179.45 177.96 2k6x h LYS 44 N 0.74 0.93 -0.13 1.90 6.56 0.03 -3.07 116.57 123.53 2k6x h LYS 44 Ca 0.09 -0.29 -0.10 0.00 -1.06 0.00 0.00 60.65 59.29 2k6x h LYS 44 Cb 0.82 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 32.37 2k6x h LYS 44 CO 0.07 0.94 -0.36 0.87 -2.06 0.00 0.00 179.45 178.91 2k6x h LYS 45 N 0.81 0.27 0.00 3.15 1.79 0.17 -3.47 116.57 119.29 2k6x h LYS 45 Ca 0.15 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2k6x h LYS 45 Cb 0.51 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 2k6x h LYS 45 CO 0.02 0.60 0.00 0.41 -1.08 0.00 0.00 179.45 179.41 2k6x n GLY 46 N -0.29 -1.69 3.13 3.86 0.00 0.34 -5.07 105.19 105.47 2k6x n GLY 46 Ca -0.01 0.59 -0.09 0.00 0.00 0.00 0.00 46.02 46.50 2k6x n GLY 46 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2k6x s TYR 47 N 0.00 0.19 -0.92 1.61 -0.85 -0.55 -4.77 117.35 112.06 2k6x s TYR 47 Ca 0.00 -0.49 -0.24 0.00 -0.52 0.00 0.00 57.07 55.82 2k6x s TYR 47 Cb 0.00 -0.13 -0.01 0.00 0.38 0.00 0.00 41.96 42.20 2k6x s TYR 47 CO 0.00 -0.38 1.73 0.96 -1.52 0.00 0.00 175.55 176.34 2k6x s ILE 48 N -2.68 3.63 -0.06 -3.49 -5.25 -1.26 -3.88 121.20 108.20 2k6x s ILE 48 Ca -0.04 -0.45 -0.13 0.00 -0.99 0.00 0.00 60.65 59.04 2k6x s ILE 48 Cb -0.01 -4.43 0.03 0.00 2.95 0.00 0.00 42.46 41.00 2k6x s ILE 48 CO -0.05 -1.35 0.31 -0.89 -1.79 0.00 0.00 174.94 171.17 2k6x s THR 49 N 7.95 0.03 0.28 8.37 2.01 -1.25 0.19 115.64 133.22 2k6x s THR 49 Ca 0.59 -0.27 -0.02 0.00 0.31 0.00 0.00 61.69 62.30 2k6x s THR 49 Cb -0.05 -0.53 0.27 0.00 0.01 0.00 0.00 72.50 72.20 2k6x s THR 49 CO -0.02 -0.15 1.91 0.22 -0.69 0.00 0.00 174.62 175.89 2k6x h TYR 50 N 4.69 1.15 -0.67 4.92 3.20 -1.13 0.61 116.97 129.74 2k6x h TYR 50 Ca -0.28 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.56 2k6x h TYR 50 Cb 1.18 -0.38 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 2k6x h TYR 50 CO 0.47 0.64 0.18 0.93 -1.64 0.00 0.00 178.16 178.75 2k6x h GLU 51 N 1.17 1.05 -0.17 1.82 4.39 -1.84 -1.51 114.58 119.50 2k6x h GLU 51 Ca 0.39 -0.23 -0.18 0.00 0.34 0.00 0.00 59.36 59.68 2k6x h GLU 51 Cb 0.07 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 2k6x h GLU 51 CO -0.13 0.92 -0.63 0.22 -1.16 0.00 0.00 179.01 178.23 2k6x h ASP 52 N 1.01 0.68 -0.44 1.42 1.82 -1.57 -0.56 116.42 118.77 2k6x h ASP 52 Ca 0.22 -0.40 0.01 0.00 -0.39 0.00 0.00 57.03 56.46 2k6x h ASP 52 Cb 0.33 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 40.12 2k6x h ASP 52 CO -0.00 1.14 0.29 0.40 -1.61 0.00 0.00 179.24 179.46 2k6x h ILE 53 N 0.44 1.11 -0.18 2.25 2.04 -0.76 0.13 117.51 122.55 2k6x h ILE 53 Ca -0.01 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.66 2k6x h ILE 53 Cb 1.21 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 2k6x h ILE 53 CO 0.12 0.11 0.12 -0.78 0.00 0.00 0.00 178.15 177.72 2k6x h ASP 54 N 0.60 0.16 0.97 1.72 3.58 -1.00 -0.24 116.42 122.20 2k6x h ASP 54 Ca 0.16 -0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.50 2k6x h ASP 54 Cb -0.06 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 2k6x h ASP 54 CO -0.04 0.11 -0.50 0.07 -2.88 0.00 0.00 179.24 176.00 2k6x h LYS 55 N 0.19 0.00 0.00 0.28 2.10 0.25 -3.17 116.57 116.22 2k6x h LYS 55 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 2k6x h LYS 55 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 2k6x h LYS 55 CO -0.01 0.50 0.00 0.00 -2.00 0.00 0.00 179.45 177.94 2k6x h ALA 56 N 1.50 1.00 -1.99 0.07 0.00 0.11 -3.44 119.26 116.50 2k6x h ALA 56 Ca -0.01 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.28 2k6x h ALA 56 Cb 1.12 0.00 0.08 0.00 0.00 0.00 0.00 17.79 19.00 2k6x h ALA 56 CO 0.07 0.00 0.39 1.19 0.00 0.00 0.00 179.25 180.90 2k6x n PHE 57 N -3.02 1.63 -2.21 0.00 3.01 -1.20 -4.01 117.46 111.67 2k6x n PHE 57 Ca -0.01 0.59 -0.40 0.00 1.01 0.00 0.00 57.45 58.64 2k6x n PHE 57 Cb 0.22 -2.35 -0.03 0.00 -0.01 0.00 0.00 39.48 37.32 2k6x n PHE 57 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 2k6x s PRO 58 N -0.47 4.39 0.00 -1.08 0.02 -1.26 -5.12 135.00 131.48 2k6x s PRO 58 Ca 0.70 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.82 2k6x s PRO 58 Cb -0.76 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 30.69 2k6x s PRO 58 CO 0.52 -0.11 0.00 -0.35 -0.33 0.00 0.00 177.00 176.73 2k6x n PRO 59 N 0.82 1.22 -0.45 5.54 -0.05 -1.26 -5.01 135.00 135.82 2k6x n PRO 59 Ca 0.00 0.00 0.10 0.00 -0.05 0.00 0.00 63.50 63.55 2k6x n PRO 59 Cb 0.43 0.00 0.32 0.00 -0.05 0.00 0.00 33.50 34.20 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 -2.55 4.05 -4.67 3.54 2.03 -1.26 -4.95 116.55 112.74 2k6x n ASP 60 Ca 0.00 -2.18 -0.42 0.00 0.52 0.00 0.00 54.79 52.71 2k6x n ASP 60 Cb 0.00 -0.51 -0.03 0.00 -0.72 0.00 0.00 41.12 39.87 2k6x n ASP 60 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2k6x s PHE 61 N -1.40 2.51 0.13 -0.67 0.08 -1.26 -4.85 117.98 112.52 2k6x s PHE 61 Ca 0.47 0.65 0.06 0.00 0.12 0.00 0.00 56.93 58.23 2k6x s PHE 61 Cb 0.27 -3.70 -0.15 0.00 -0.57 0.00 0.00 43.02 38.87 2k6x s PHE 61 CO 0.28 -2.71 1.31 0.93 -0.10 0.00 0.00 175.22 174.92 2k6x h GLU 62 N 8.62 0.02 -1.58 0.44 5.08 -1.98 -3.45 114.58 121.74 2k6x h GLU 62 Ca -0.34 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.08 2k6x h GLU 62 Cb 1.15 0.01 -0.24 0.00 0.50 0.00 0.00 28.75 30.18 2k6x h GLU 62 CO 0.95 0.98 0.18 0.20 -1.00 0.00 0.00 179.01 180.32 2k6x s GLY 63 N -4.68 -0.30 -0.02 -3.84 0.00 -1.26 -5.17 107.32 92.05 2k6x s GLY 63 Ca 0.00 2.84 0.01 0.00 0.00 0.00 0.00 44.72 47.57 2k6x s GLY 63 CO 0.82 2.79 -0.00 -0.11 0.00 0.00 0.00 173.10 176.60 2k6x s PHE 64 N 1.93 3.09 0.06 1.90 -0.12 -1.26 -4.97 117.98 118.61 2k6x s PHE 64 Ca -0.07 0.10 -0.03 0.00 -0.05 0.00 0.00 56.93 56.88 2k6x s PHE 64 Cb -0.06 -1.70 -0.03 0.00 -0.63 0.00 0.00 43.02 40.60 2k6x s PHE 64 CO -0.17 0.46 0.02 0.34 -0.05 0.00 0.00 175.22 175.81 2k6x s ASP 65 N -1.39 0.40 0.54 1.98 -1.08 -1.26 -5.03 116.67 110.83 2k6x s ASP 65 Ca 0.18 -0.91 0.24 0.00 -0.52 0.00 0.00 52.55 51.54 2k6x s ASP 65 Cb -0.11 0.23 1.53 0.00 -1.46 0.00 0.00 42.92 43.10 2k6x s ASP 65 CO 0.08 -0.62 2.16 0.74 0.52 0.00 0.00 175.17 178.06 2k6x h THR 66 N 3.10 0.72 -0.34 1.71 2.02 -2.02 -1.18 112.91 116.92 2k6x h THR 66 Ca -0.34 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 2k6x h THR 66 Cb 1.15 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 2k6x h THR 66 CO 0.63 0.05 0.19 -1.13 0.37 0.00 0.00 175.52 175.63 2k6x h ASN 67 N 0.00 0.41 -0.92 4.18 -0.00 -2.00 -1.48 115.58 115.78 2k6x h ASN 67 Ca -0.00 -0.02 0.09 0.00 -0.00 0.00 0.00 56.30 56.37 2k6x h ASN 67 Cb 0.10 -0.10 -0.07 0.00 -0.00 0.00 0.00 38.32 38.25 2k6x h ASN 67 CO 0.01 0.33 0.56 0.25 -0.00 0.00 0.00 177.43 178.58 2k6x h LEU 68 N 0.47 0.84 -0.73 0.34 5.85 -1.61 0.47 115.31 120.94 2k6x h LEU 68 Ca 0.12 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 2k6x h LEU 68 Cb 0.01 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2k6x h LEU 68 CO -0.02 0.49 0.22 0.40 -0.34 0.00 0.00 178.44 179.19 2k6x h ILE 69 N 0.95 1.26 -0.38 4.05 1.08 -1.38 0.48 117.51 123.58 2k6x h ILE 69 Ca 0.43 -0.90 -0.09 0.00 -0.39 0.00 0.00 64.86 63.91 2k6x h ILE 69 Cb 0.34 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 2k6x h ILE 69 CO -0.23 0.35 -0.12 -0.33 -0.69 0.00 0.00 178.15 177.13 2k6x h GLU 70 N 1.07 0.75 -0.24 2.37 5.08 -1.26 -3.14 114.58 119.22 2k6x h GLU 70 Ca 0.23 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 2k6x h GLU 70 Cb 0.31 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2k6x h GLU 70 CO -0.01 0.91 -0.29 -0.09 -1.00 0.00 0.00 179.01 178.53 2k6x h ARG 71 N 0.55 0.48 -0.12 2.33 9.65 0.67 -1.71 114.38 126.22 2k6x h ARG 71 Ca 0.09 -0.20 -0.00 0.00 -1.10 0.00 0.00 59.98 58.77 2k6x h ARG 71 Cb 0.65 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.20 2k6x h ARG 71 CO 0.04 0.73 0.08 0.82 2.80 0.00 0.00 179.97 184.44 2k6x h ILE 72 N 0.42 1.05 -0.29 1.20 2.04 -0.03 0.12 117.51 122.03 2k6x h ILE 72 Ca 0.06 -0.13 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 2k6x h ILE 72 Cb 0.73 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 2k6x h ILE 72 CO 0.06 0.05 -0.16 -0.74 0.00 0.00 0.00 178.15 177.35 2k6x h HIS 73 N 0.14 0.55 -0.10 1.37 2.76 -1.45 0.19 115.15 118.61 2k6x h HIS 73 Ca 0.04 -0.09 0.01 0.00 -2.20 0.00 0.00 60.37 58.13 2k6x h HIS 73 Cb 0.02 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 2k6x h HIS 73 CO -0.06 0.65 0.04 0.93 -1.30 0.00 0.00 177.93 178.18 2k6x h GLU 74 N 0.46 0.09 0.00 5.26 5.08 -0.93 -2.34 114.58 122.20 2k6x h GLU 74 Ca 0.08 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2k6x h GLU 74 Cb 0.55 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2k6x h GLU 74 CO 0.04 0.06 -0.18 0.93 -1.00 0.00 0.00 179.01 178.86 2k6x h GLU 75 N 0.09 0.00 0.02 2.33 4.39 -0.13 0.67 114.58 121.95 2k6x h GLU 75 Ca 0.04 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 2k6x h GLU 75 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2k6x h GLU 75 CO -0.04 0.18 -0.01 -0.07 -1.16 0.00 0.00 179.01 177.91 2k6x h LEU 76 N 0.00 -0.02 0.01 1.33 3.38 -0.12 0.46 115.31 120.34 2k6x h LEU 76 Ca -0.00 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 2k6x h LEU 76 Cb 0.32 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2k6x h LEU 76 CO 0.02 0.03 -0.59 -0.08 0.09 0.00 0.00 178.44 177.92 2k6x h GLU 77 N -0.07 0.01 -0.15 1.13 4.81 -1.13 -2.90 114.58 116.29 2k6x h GLU 77 Ca -0.00 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 2k6x h GLU 77 Cb 0.06 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2k6x h GLU 77 CO 0.00 1.01 -0.36 0.87 -0.73 0.00 0.00 179.01 179.81 2k6x h LYS 78 N -0.97 0.51 0.00 1.92 6.56 0.23 -3.34 116.57 121.47 2k6x h LYS 78 Ca -0.16 -0.34 -0.15 0.00 -1.06 0.00 0.00 60.65 58.93 2k6x h LYS 78 Cb 1.16 0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 32.84 2k6x h LYS 78 CO -0.09 0.96 -1.86 1.58 -2.06 0.00 0.00 179.45 177.99 2k6x n HIS 79 N -4.33 0.37 -0.74 -1.35 -0.00 0.29 -4.98 115.22 104.48 2k6x n HIS 79 Ca -0.07 0.12 0.00 0.00 0.46 0.00 0.00 57.72 58.23 2k6x n HIS 79 Cb 0.51 -0.85 0.00 0.00 -0.12 0.00 0.00 29.99 29.53 2k6x n HIS 79 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2k6x n GLY 80 N 1.43 0.67 3.78 1.57 0.00 0.14 -4.98 105.19 107.80 2k6x n GLY 80 Ca -0.14 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 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 3.58 -0.14 -0.61 2.07 -0.74 -4.96 121.20 118.39 2k6x s ILE 81 Ca 0.00 1.16 0.00 0.00 -1.41 0.00 0.00 60.65 60.40 2k6x s ILE 81 Cb 0.00 -3.57 -0.01 0.00 0.13 0.00 0.00 42.46 39.01 2k6x s ILE 81 CO 0.00 -0.05 -0.14 0.20 -1.91 0.00 0.00 174.94 173.04 2k6x s ASN 82 N -1.60 3.82 -0.22 4.50 0.02 -1.26 -4.43 114.94 115.77 2k6x s ASN 82 Ca 0.61 -0.41 -0.15 0.00 -1.02 0.00 0.00 52.86 51.90 2k6x s ASN 82 Cb -0.22 -1.59 0.07 0.00 0.02 0.00 0.00 41.25 39.53 2k6x s ASN 82 CO 0.28 0.12 0.56 -0.51 0.02 0.00 0.00 177.10 177.56 2k6x s ILE 83 N 0.63 -0.01 0.10 0.60 1.10 -1.26 -4.92 121.20 117.43 2k6x s ILE 83 Ca -0.08 0.03 -0.00 0.00 -0.51 0.00 0.00 60.65 60.09 2k6x s ILE 83 Cb -0.16 -0.81 -0.04 0.00 0.15 0.00 0.00 42.46 41.60 2k6x s ILE 83 CO 0.03 0.01 0.26 0.54 -2.11 0.00 0.00 174.94 173.67 2k6x s VAL 84 N 1.23 5.33 -0.13 4.00 0.11 0.13 -4.93 120.40 126.13 2k6x s VAL 84 Ca -0.07 -0.37 0.18 0.00 -2.93 0.00 0.00 61.98 58.78 2k6x s VAL 84 Cb -0.06 -3.65 -0.15 0.00 -1.53 0.00 0.00 36.38 30.98 2k6x s VAL 84 CO -0.12 0.07 0.74 -0.62 -3.33 0.00 0.00 175.10 171.83 2k6x n GLU 85 N 0.06 0.63 -0.96 1.54 1.02 -1.26 -0.69 120.64 120.99 2k6x n GLU 85 Ca -0.05 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2k6x n GLU 85 Cb 0.52 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2k6x n GLU 85 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2k6x n ASN 86 N -2.79 -3.38 -4.70 1.62 2.85 -1.26 -4.48 115.26 103.12 2k6x n ASN 86 Ca -0.10 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 53.95 2k6x n ASN 86 Cb 0.81 -1.56 -0.03 0.00 1.24 0.00 0.00 39.78 40.24 2k6x n ASN 86 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2k6x s GLU 87 N -0.72 4.44 -0.05 1.20 2.12 -1.26 -5.01 118.70 119.42 2k6x s GLU 87 Ca 0.00 1.24 -0.30 0.00 0.36 0.00 0.00 54.97 56.27 2k6x s GLU 87 Cb 0.00 -3.51 -0.02 0.00 0.26 0.00 0.00 34.13 30.86 2k6x s GLU 87 CO 0.00 -0.17 1.01 -1.25 -0.54 0.00 0.00 175.26 174.31 2k6x s PRO 88 N 1.53 4.49 -0.16 4.30 0.04 -1.26 -4.91 135.00 139.03 2k6x s PRO 88 Ca 0.46 1.43 0.16 0.00 0.04 0.00 0.00 61.00 63.09 2k6x s PRO 88 Cb -0.19 -3.50 0.74 0.00 0.04 0.00 0.00 34.50 31.60 2k6x s PRO 88 CO 0.20 -0.19 1.65 -0.85 0.04 0.00 0.00 177.00 177.84 2k6x n GLU 89 N 4.45 4.09 -2.15 4.56 -0.00 -1.26 -4.75 120.64 125.58 2k6x n GLU 89 Ca 0.08 -2.89 -0.42 0.00 -0.00 0.00 0.00 57.16 53.92 2k6x n GLU 89 Cb 0.50 -2.02 0.00 0.00 -0.00 0.00 0.00 31.44 29.92 2k6x n GLU 89 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2k6x n GLU 90 N 0.92 3.26 -3.81 3.44 -0.58 -1.26 -4.87 120.64 117.74 2k6x n GLU 90 Ca 0.26 -3.15 -0.12 0.00 -0.42 0.00 0.00 57.16 53.72 2k6x n GLU 90 Cb 0.99 -3.13 -0.12 0.00 -0.57 0.00 0.00 31.44 28.61 2k6x n GLU 90 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2k6x s GLU 91 N 1.90 0.26 0.00 3.49 2.56 -1.26 -4.98 118.70 120.68 2k6x s GLU 91 Ca 0.44 0.19 0.00 0.00 0.00 0.00 0.00 54.97 55.60 2k6x s GLU 91 Cb 0.10 0.12 0.00 0.00 2.00 0.00 0.00 34.13 36.35 2k6x s GLU 91 CO -0.03 -0.04 0.00 -1.91 -0.56 0.00 0.00 175.26 172.72 2k6x n GLU 92 N 2.78 0.00 0.03 4.30 4.07 -1.26 -4.96 120.64 125.60 2k6x n GLU 92 Ca -0.14 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.06 2k6x n GLU 92 Cb 0.58 0.00 -0.11 0.00 -0.06 0.00 0.00 31.44 31.85 2k6x n GLU 92 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 2k6x n ILE 93 N -1.44 0.30 -3.31 6.31 3.06 -1.26 -4.99 119.36 118.04 2k6x n ILE 93 Ca 0.00 -0.54 -0.22 0.00 -2.50 0.00 0.00 62.75 59.49 2k6x n ILE 93 Cb 0.00 -0.16 0.06 0.00 0.54 0.00 0.00 39.64 40.08 2k6x n ILE 93 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 2k6x n SER 94 N -2.44 -6.05 -0.09 9.51 7.64 -1.26 -4.89 113.62 116.04 2k6x n SER 94 Ca -0.04 -0.41 0.13 0.00 1.01 0.00 0.00 58.87 59.56 2k6x n SER 94 Cb 0.59 -4.75 0.50 0.00 -1.01 0.00 0.00 64.21 59.55 2k6x n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k6x n ALA 95 N -4.31 2.90 0.00 -0.43 0.00 -1.26 -5.22 120.51 112.19 2k6x n ALA 95 Ca -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2k6x n ALA 95 Cb 0.58 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2k6x n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91