#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klg n GLN 2 N 0.00 0.41 -4.01 2.12 1.13 -1.26 -4.86 117.38 110.91 2klg n GLN 2 Ca 0.00 -0.14 -0.11 0.00 -1.94 0.00 0.00 57.00 54.81 2klg n GLN 2 Cb 0.00 -1.50 -0.12 0.00 0.11 0.00 0.00 30.24 28.74 2klg n GLN 2 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 2klg s ILE 3 N -2.69 0.25 -0.43 5.09 2.07 -1.25 -1.33 121.20 122.92 2klg s ILE 3 Ca 0.22 -0.79 0.04 0.00 -1.41 0.00 0.00 60.65 58.71 2klg s ILE 3 Cb 0.19 -0.34 0.12 0.00 0.13 0.00 0.00 42.46 42.56 2klg s ILE 3 CO 0.53 -0.35 0.16 -0.36 -1.91 0.00 0.00 174.94 173.01 2klg s PHE 4 N -1.15 3.36 0.15 3.50 0.40 -1.26 -4.27 117.98 118.72 2klg s PHE 4 Ca -0.11 -3.05 0.04 0.00 -0.60 0.00 0.00 56.93 53.21 2klg s PHE 4 Cb -0.08 -2.81 -0.04 0.00 0.51 0.00 0.00 43.02 40.60 2klg s PHE 4 CO -0.00 -0.84 0.20 0.54 0.70 0.00 0.00 175.22 175.82 2klg s VAL 5 N 0.30 4.88 0.00 -0.44 0.11 -1.26 -4.49 120.40 119.50 2klg s VAL 5 Ca 0.14 -0.89 0.01 0.00 -2.93 0.00 0.00 61.98 58.32 2klg s VAL 5 Cb -0.23 -3.50 -0.04 0.00 -1.53 0.00 0.00 36.38 31.09 2klg s VAL 5 CO -0.04 -0.09 0.03 -0.54 -3.33 0.00 0.00 175.10 171.13 2klg s LYS 6 N -3.14 2.88 0.21 1.54 -0.14 -1.26 -3.89 119.74 115.93 2klg s LYS 6 Ca 0.33 -0.58 0.03 0.00 -1.36 0.00 0.00 55.97 54.39 2klg s LYS 6 Cb -0.11 -2.73 0.03 0.00 -1.68 0.00 0.00 37.83 33.35 2klg s LYS 6 CO 0.26 0.63 0.28 0.25 -0.76 0.00 0.00 175.35 176.01 2klg n THR 7 N 1.25 0.00 0.06 2.17 -2.24 -1.00 -4.61 114.28 109.91 2klg n THR 7 Ca -0.14 -0.67 -0.02 0.00 -2.27 0.00 0.00 64.05 60.96 2klg n THR 7 Cb 0.53 -0.85 0.25 0.00 -2.10 0.00 0.00 70.33 68.16 2klg n THR 7 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 2klg h LEU 8 N 0.00 0.36 -4.11 3.22 -0.00 -1.97 -2.95 115.31 109.86 2klg h LEU 8 Ca -0.10 -0.12 -0.65 0.00 -0.00 0.00 0.00 57.88 57.02 2klg h LEU 8 Cb 0.43 -0.10 -0.34 0.00 -0.00 0.00 0.00 40.66 40.66 2klg h LEU 8 CO 0.13 0.62 0.29 0.41 -0.00 0.00 0.00 178.44 179.90 2klg n THR 9 N -4.14 3.22 -2.83 0.15 -1.04 -1.26 -4.90 114.28 103.48 2klg n THR 9 Ca -0.01 -3.65 -0.14 0.00 -2.04 0.00 0.00 64.05 58.21 2klg n THR 9 Cb 0.39 -1.17 -0.01 0.00 -1.82 0.00 0.00 70.33 67.71 2klg n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2klg n GLY 10 N -0.77 -0.49 3.86 3.41 0.00 -1.11 -4.93 105.19 105.16 2klg n GLY 10 Ca 0.54 0.03 -0.31 0.00 0.00 0.00 0.00 46.02 46.28 2klg n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2klg s LYS 11 N -5.43 3.91 -0.24 1.61 2.47 -1.26 -4.78 119.74 116.02 2klg s LYS 11 Ca 0.16 0.66 -0.09 0.00 -1.56 0.00 0.00 55.97 55.14 2klg s LYS 11 Cb -0.09 -2.34 -0.04 0.00 -1.46 0.00 0.00 37.83 33.90 2klg s LYS 11 CO 0.20 -0.02 0.11 -0.08 0.16 0.00 0.00 175.35 175.72 2klg s THR 12 N -2.29 4.82 0.33 3.43 -1.32 -1.26 -2.38 115.64 116.97 2klg s THR 12 Ca 0.54 -0.00 0.07 0.00 -1.21 0.00 0.00 61.69 61.09 2klg s THR 12 Cb -0.10 -3.25 -0.06 0.00 -1.51 0.00 0.00 72.50 67.57 2klg s THR 12 CO 0.26 0.34 -0.05 0.27 -2.21 0.00 0.00 174.62 173.22 2klg s ILE 13 N 1.35 1.87 -0.19 5.08 -4.36 -1.25 -5.07 121.20 118.62 2klg s ILE 13 Ca 0.06 -2.12 -0.06 0.00 -0.26 0.00 0.00 60.65 58.26 2klg s ILE 13 Cb -0.15 -2.63 -0.03 0.00 1.25 0.00 0.00 42.46 40.90 2klg s ILE 13 CO 0.05 -0.19 0.04 0.42 0.24 0.00 0.00 174.94 175.50 2klg s THR 14 N -2.85 4.39 -0.02 8.37 -4.23 -1.26 -4.31 115.64 115.73 2klg s THR 14 Ca 0.32 -0.17 0.05 0.00 -1.18 0.00 0.00 61.69 60.71 2klg s THR 14 Cb 0.05 -2.99 -0.01 0.00 1.34 0.00 0.00 72.50 70.89 2klg s THR 14 CO 0.15 0.44 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.75 2klg s LEU 15 N 0.72 2.01 0.34 4.79 1.02 -1.26 -5.08 118.68 121.22 2klg s LEU 15 Ca 0.02 -0.29 0.07 0.00 0.02 0.00 0.00 54.13 53.95 2klg s LEU 15 Cb -0.14 -0.83 -0.01 0.00 0.02 0.00 0.00 46.19 45.24 2klg s LEU 15 CO 0.02 0.19 0.44 -1.83 0.02 0.00 0.00 176.35 175.19 2klg s GLU 16 N -0.31 3.03 -0.03 1.70 1.03 -1.26 -3.86 118.70 119.00 2klg s GLU 16 Ca 0.05 -1.08 -0.01 0.00 0.03 0.00 0.00 54.97 53.96 2klg s GLU 16 Cb -0.07 -2.75 0.03 0.00 -0.80 0.00 0.00 34.13 30.54 2klg s GLU 16 CO -0.00 0.06 0.04 0.08 -1.33 0.00 0.00 175.26 174.11 2klg s VAL 17 N -2.21 -0.08 0.22 1.83 1.01 -1.26 -5.06 120.40 114.86 2klg s VAL 17 Ca 0.45 0.31 0.07 0.00 0.00 0.00 0.00 61.98 62.80 2klg s VAL 17 Cb -0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 2klg s VAL 17 CO 0.30 0.13 0.14 -1.83 0.00 0.00 0.00 175.10 173.84 2klg s GLU 18 N 1.53 2.80 0.16 2.72 -1.05 -1.26 -4.89 118.70 118.71 2klg s GLU 18 Ca -0.03 -1.05 -0.26 0.00 -0.15 0.00 0.00 54.97 53.47 2klg s GLU 18 Cb -0.13 -2.52 0.01 0.00 -0.44 0.00 0.00 34.13 31.06 2klg s GLU 18 CO -0.03 0.42 1.58 -1.00 0.95 0.00 0.00 175.26 177.18 2klg h PRO 19 N 1.89 -0.29 -1.57 -4.83 0.13 -2.06 -1.04 132.00 124.22 2klg h PRO 19 Ca -0.48 0.02 -0.38 0.00 -0.87 0.00 0.00 66.00 64.29 2klg h PRO 19 Cb 1.23 0.07 -0.16 0.00 0.13 0.00 0.00 31.00 32.27 2klg h PRO 19 CO 0.61 -0.20 0.44 -1.13 -0.23 0.00 0.00 178.00 177.50 2klg n SER 20 N -5.42 6.56 -4.61 1.44 3.41 -1.26 -4.84 113.62 108.91 2klg n SER 20 Ca -0.00 -3.14 -0.43 0.00 -0.26 0.00 0.00 58.87 55.04 2klg n SER 20 Cb 0.35 -1.08 -0.02 0.00 -0.26 0.00 0.00 64.21 63.19 2klg n SER 20 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2klg s ASP 21 N 0.07 6.29 0.32 4.04 -1.08 -0.40 -5.00 116.67 120.91 2klg s ASP 21 Ca 0.38 1.09 -0.16 0.00 -0.52 0.00 0.00 52.55 53.34 2klg s ASP 21 Cb 0.29 -2.54 -0.09 0.00 -1.46 0.00 0.00 42.92 39.12 2klg s ASP 21 CO -0.04 -1.42 0.76 -0.89 0.52 0.00 0.00 175.17 174.09 2klg s THR 22 N 5.58 4.63 0.22 1.71 2.01 -1.26 -2.36 115.64 126.18 2klg s THR 22 Ca 0.66 1.05 -0.03 0.00 0.31 0.00 0.00 61.69 63.69 2klg s THR 22 Cb -0.18 -3.64 0.03 0.00 0.01 0.00 0.00 72.50 68.72 2klg s THR 22 CO 0.31 -0.15 1.63 0.40 -0.69 0.00 0.00 174.62 176.13 2klg h ILE 23 N 2.05 1.27 -0.12 1.82 2.04 -0.54 -1.28 117.51 122.77 2klg h ILE 23 Ca -0.48 -1.37 -0.21 0.00 1.00 0.00 0.00 64.86 63.80 2klg h ILE 23 Cb 1.18 1.29 0.01 0.00 -0.74 0.00 0.00 36.82 38.56 2klg h ILE 23 CO 0.65 0.45 -0.76 -0.08 0.00 0.00 0.00 178.15 178.40 2klg h GLU 24 N 0.60 0.72 -0.53 2.37 4.81 -1.75 -2.94 114.58 117.87 2klg h GLU 24 Ca 0.08 -0.62 -0.11 0.00 -0.13 0.00 0.00 59.36 58.57 2klg h GLU 24 Cb 0.76 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 2klg h GLU 24 CO 0.06 1.23 -0.11 -0.91 -0.73 0.00 0.00 179.01 178.55 2klg h ASN 25 N 0.42 1.01 -0.17 1.04 4.21 -1.92 -2.97 115.58 117.19 2klg h ASN 25 Ca -0.06 -0.35 -0.05 0.00 1.21 0.00 0.00 56.30 57.05 2klg h ASN 25 Cb 1.40 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 38.31 2klg h ASN 25 CO 0.16 1.13 -0.02 1.62 -1.29 0.00 0.00 177.43 179.02 2klg h VAL 26 N 0.87 1.19 -0.58 2.81 3.04 -1.28 -2.79 116.25 119.50 2klg h VAL 26 Ca 0.14 -0.75 0.07 0.00 -1.01 0.00 0.00 66.70 65.14 2klg h VAL 26 Cb 0.68 0.99 -0.06 0.00 -2.01 0.00 0.00 31.29 30.89 2klg h VAL 26 CO 0.05 0.25 0.27 0.50 -1.01 0.00 0.00 177.57 177.63 2klg h LYS 27 N 0.43 0.49 -0.01 4.17 3.11 -1.35 -1.09 116.57 122.32 2klg h LYS 27 Ca 0.09 -0.03 -0.09 0.00 -2.81 0.00 0.00 60.65 57.82 2klg h LYS 27 Cb 0.32 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.43 2klg h LYS 27 CO 0.01 0.32 -0.40 0.00 -2.81 0.00 0.00 179.45 176.58 2klg h ALA 28 N 1.35 1.32 -0.68 5.00 0.00 -1.54 -2.96 119.26 121.74 2klg h ALA 28 Ca 0.27 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2klg h ALA 28 Cb 0.24 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2klg h ALA 28 CO -0.22 0.51 0.24 -0.22 0.00 0.00 0.00 179.25 179.55 2klg h LYS 29 N 0.02 1.04 -0.17 0.00 3.64 -1.03 0.24 116.57 120.31 2klg h LYS 29 Ca -0.00 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.15 2klg h LYS 29 Cb 0.71 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2klg h LYS 29 CO 0.05 0.88 0.03 0.82 -2.27 0.00 0.00 179.45 178.97 2klg h ILE 30 N 0.98 1.21 -0.29 2.00 2.04 -1.27 -1.52 117.51 120.66 2klg h ILE 30 Ca 0.22 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 2klg h ILE 30 Cb 0.26 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 2klg h ILE 30 CO -0.01 0.21 0.04 -0.61 0.00 0.00 0.00 178.15 177.78 2klg h GLN 31 N 0.07 0.48 0.00 2.37 -0.00 -1.40 -2.56 115.11 114.07 2klg h GLN 31 Ca 0.05 -0.13 -0.00 0.00 -0.00 0.00 0.00 58.65 58.57 2klg h GLN 31 Cb 0.29 -0.05 -0.00 0.00 0.00 0.00 0.00 27.48 27.72 2klg h GLN 31 CO 0.00 0.59 -0.02 -0.44 0.00 0.00 0.00 178.83 178.96 2klg h ASP 32 N 0.29 0.00 0.15 -0.69 3.32 -0.48 0.74 116.42 119.75 2klg h ASP 32 Ca 0.09 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2klg h ASP 32 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2klg h ASP 32 CO 0.01 0.02 -0.07 0.11 -1.72 0.00 0.00 179.24 177.59 2klg h LYS 33 N 0.00 -0.19 0.00 3.56 1.79 -0.87 -3.43 116.57 117.43 2klg h LYS 33 Ca -0.00 0.01 -0.34 0.00 -2.18 0.00 0.00 60.65 58.15 2klg h LYS 33 Cb 0.07 0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 30.71 2klg h LYS 33 CO 0.00 -0.13 -2.25 -0.85 -1.08 0.00 0.00 179.45 175.15 2klg n GLU 34 N -3.64 0.54 -0.25 3.15 0.28 -1.10 -5.06 120.64 114.55 2klg n GLU 34 Ca -0.02 0.14 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 2klg n GLU 34 Cb 0.08 -1.42 0.00 0.00 1.43 0.00 0.00 31.44 31.53 2klg n GLU 34 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2klg n GLY 35 N 2.33 0.77 3.59 -1.84 0.00 0.26 -5.04 105.19 105.26 2klg n GLY 35 Ca -0.40 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 2klg n GLY 35 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2klg s ILE 36 N -1.87 4.06 0.13 -0.61 2.07 -1.26 -4.93 121.20 118.79 2klg s ILE 36 Ca 0.00 1.04 -0.18 0.00 -1.41 0.00 0.00 60.65 60.11 2klg s ILE 36 Cb 0.00 -4.52 -0.03 0.00 0.13 0.00 0.00 42.46 38.05 2klg s ILE 36 CO 0.00 -1.02 1.76 -0.65 -1.91 0.00 0.00 174.94 173.12 2klg h PRO 37 N 9.82 0.42 -5.50 3.50 0.11 -1.97 -3.43 132.00 134.95 2klg h PRO 37 Ca -0.25 -0.04 -0.63 0.00 0.11 0.00 0.00 66.00 65.20 2klg h PRO 37 Cb 1.07 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.03 2klg h PRO 37 CO 1.13 0.32 1.55 -2.30 -0.21 0.00 0.00 178.00 178.49 2klg n PRO 38 N -4.84 0.05 0.03 1.05 -0.02 -1.26 -4.77 135.00 125.24 2klg n PRO 38 Ca -0.01 0.01 0.08 0.00 -2.02 0.00 0.00 63.50 61.55 2klg n PRO 38 Cb 0.05 -1.57 0.33 0.00 -0.02 0.00 0.00 33.50 32.29 2klg n PRO 38 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2klg n ASP 39 N 9.21 0.14 -1.35 2.55 5.75 -1.26 -2.77 116.55 128.82 2klg n ASP 39 Ca 0.60 0.54 -0.00 0.00 -0.01 0.00 0.00 54.79 55.91 2klg n ASP 39 Cb 0.01 -0.57 0.19 0.00 -1.03 0.00 0.00 41.12 39.73 2klg n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2klg n GLN 40 N -1.66 2.79 -2.73 0.11 3.00 -1.26 -4.85 117.38 112.79 2klg n GLN 40 Ca 0.03 -1.69 -0.42 0.00 -0.01 0.00 0.00 57.00 54.90 2klg n GLN 40 Cb 0.17 -1.85 -0.03 0.00 0.00 0.00 0.00 30.24 28.52 2klg n GLN 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2klg s GLN 41 N -1.92 3.26 0.34 -1.09 -0.44 -1.11 -3.41 119.66 115.29 2klg s GLN 41 Ca 0.30 -0.33 0.03 0.00 -2.50 0.00 0.00 55.36 52.86 2klg s GLN 41 Cb 0.23 -4.13 -0.01 0.00 -1.64 0.00 0.00 33.01 27.46 2klg s GLN 41 CO 0.08 -1.78 0.38 1.03 0.50 0.00 0.00 175.29 175.50 2klg s ARG 42 N 4.60 1.85 -0.05 1.67 3.00 -1.26 -5.00 118.95 123.76 2klg s ARG 42 Ca 0.31 -1.90 -0.00 0.00 0.00 0.00 0.00 55.73 54.14 2klg s ARG 42 Cb -0.12 0.39 -0.03 0.00 0.00 0.00 0.00 34.95 35.19 2klg s ARG 42 CO 0.17 -0.73 -0.02 -0.48 0.00 0.00 0.00 175.30 174.24 2klg s LEU 43 N -3.31 3.45 -0.87 2.53 2.34 -1.26 -3.23 118.68 118.33 2klg s LEU 43 Ca 0.36 0.05 0.00 0.00 0.06 0.00 0.00 54.13 54.60 2klg s LEU 43 Cb 0.01 -1.85 0.25 0.00 -0.56 0.00 0.00 46.19 44.03 2klg s LEU 43 CO 0.24 0.34 0.92 0.00 -1.06 0.00 0.00 176.35 176.79 2klg n ILE 44 N 1.90 3.31 -3.67 1.48 3.06 -1.23 -4.63 119.36 119.58 2klg n ILE 44 Ca -0.17 -5.31 -0.10 0.00 -2.50 0.00 0.00 62.75 54.67 2klg n ILE 44 Cb 0.53 -2.24 -0.11 0.00 0.54 0.00 0.00 39.64 38.37 2klg n ILE 44 CO 0.00 0.00 0.00 0.12 -2.50 0.00 0.00 176.55 174.17 2klg s PHE 45 N -1.97 -0.68 -1.46 9.51 2.19 -1.26 -4.88 117.98 119.42 2klg s PHE 45 Ca 0.32 1.36 -0.06 0.00 0.33 0.00 0.00 56.93 58.87 2klg s PHE 45 Cb 0.01 0.22 0.03 0.00 -1.31 0.00 0.00 43.02 41.97 2klg s PHE 45 CO -0.05 -0.43 0.53 0.00 1.83 0.00 0.00 175.22 177.10 2klg n ALA 46 N 5.16 -0.99 -4.15 11.12 0.00 -1.26 -2.22 120.51 128.18 2klg n ALA 46 Ca -0.11 0.21 -0.32 0.00 0.00 0.00 0.00 53.44 53.22 2klg n ALA 46 Cb 0.51 -3.41 -0.03 0.00 0.00 0.00 0.00 19.45 16.51 2klg n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2klg n GLY 47 N -1.37 -0.33 3.45 0.00 0.00 -1.26 -4.91 105.19 100.76 2klg n GLY 47 Ca -0.09 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2klg n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2klg s LYS 48 N -6.85 2.97 0.29 1.61 2.36 -0.94 -5.07 119.74 114.11 2klg s LYS 48 Ca 0.41 -1.04 -0.10 0.00 -2.55 0.00 0.00 55.97 52.69 2klg s LYS 48 Cb -0.23 -3.99 -0.07 0.00 -1.05 0.00 0.00 37.83 32.49 2klg s LYS 48 CO 0.92 -0.77 0.63 -0.65 1.55 0.00 0.00 175.35 177.03 2klg s GLN 49 N 1.68 3.80 0.00 4.03 1.11 -1.26 -4.56 119.66 124.46 2klg s GLN 49 Ca 0.05 0.34 0.28 0.00 0.01 0.00 0.00 55.36 56.04 2klg s GLN 49 Cb -0.19 -2.55 1.27 0.00 -1.01 0.00 0.00 33.01 30.52 2klg s GLN 49 CO 0.10 0.19 1.93 1.28 0.01 0.00 0.00 175.29 178.80 2klg n LEU 50 N -0.57 0.00 0.09 2.90 4.77 -1.26 -3.60 117.00 119.33 2klg n LEU 50 Ca 0.01 0.44 -0.22 0.00 -0.03 0.00 0.00 56.01 56.21 2klg n LEU 50 Cb 0.53 -0.44 -0.14 0.00 -2.33 0.00 0.00 43.42 41.04 2klg n LEU 50 CO 0.45 -0.02 -0.06 -0.08 -1.33 0.00 0.00 177.39 176.36 2klg h GLU 51 N 0.00 0.51 -6.06 3.23 4.22 -1.94 -3.38 114.58 111.16 2klg h GLU 51 Ca 0.00 -0.75 -0.72 0.00 0.08 0.00 0.00 59.36 57.97 2klg h GLU 51 Cb 0.42 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2klg h GLU 51 CO 0.00 1.34 1.16 -0.25 -2.18 0.00 0.00 179.01 179.08 2klg n ASP 52 N -3.89 2.04 -2.06 1.04 9.92 -1.24 -4.75 116.55 117.61 2klg n ASP 52 Ca -0.14 0.77 -0.04 0.00 -0.53 0.00 0.00 54.79 54.85 2klg n ASP 52 Cb 0.95 -1.15 -0.05 0.00 -0.64 0.00 0.00 41.12 40.23 2klg n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2klg n GLY 53 N 5.57 1.80 3.93 0.44 0.00 -1.26 -4.41 105.19 111.25 2klg n GLY 53 Ca 0.36 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 2klg n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2klg s ARG 54 N 1.63 2.31 -0.05 1.61 1.81 -1.26 -4.89 118.95 120.11 2klg s ARG 54 Ca 0.20 -1.87 -0.06 0.00 -1.72 0.00 0.00 55.73 52.29 2klg s ARG 54 Cb 0.10 -2.26 -0.04 0.00 -0.45 0.00 0.00 34.95 32.30 2klg s ARG 54 CO 0.00 -0.60 0.19 -0.08 -0.68 0.00 0.00 175.30 174.13 2klg s THR 55 N -2.70 5.42 0.26 0.02 -1.32 -1.26 0.17 115.64 116.23 2klg s THR 55 Ca 0.42 0.12 -0.02 0.00 -1.21 0.00 0.00 61.69 61.00 2klg s THR 55 Cb -0.03 -3.49 0.23 0.00 -1.51 0.00 0.00 72.50 67.70 2klg s THR 55 CO 0.26 0.47 1.75 -0.07 -2.21 0.00 0.00 174.62 174.82 2klg h LEU 56 N 4.39 0.45 -2.04 9.08 3.38 -1.77 0.19 115.31 128.99 2klg h LEU 56 Ca -0.52 0.10 0.13 0.00 0.09 0.00 0.00 57.88 57.68 2klg h LEU 56 Cb 1.21 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 2klg h LEU 56 CO 0.63 0.18 0.37 -1.28 0.09 0.00 0.00 178.44 178.43 2klg h SER 57 N 0.56 0.00 -0.94 -0.43 0.87 -1.80 -1.79 113.55 110.01 2klg h SER 57 Ca 0.45 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 61.14 2klg h SER 57 Cb 0.66 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.53 2klg h SER 57 CO -0.38 0.00 0.57 0.44 -0.53 0.00 0.00 176.83 176.93 2klg h ASP 58 N 0.00 0.79 -0.54 6.23 3.32 -1.34 -0.68 116.42 124.21 2klg h ASP 58 Ca 0.21 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2klg h ASP 58 Cb 0.94 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.40 2klg h ASP 58 CO -0.00 0.39 0.00 -1.22 -1.72 0.00 0.00 179.24 176.69 2klg n TYR 59 N -4.71 1.83 -1.22 4.55 4.02 -0.71 -4.92 117.16 116.01 2klg n TYR 59 Ca 0.18 -0.74 -0.07 0.00 -0.01 0.00 0.00 57.90 57.26 2klg n TYR 59 Cb 0.39 -0.45 -0.03 0.00 -0.02 0.00 0.00 39.34 39.23 2klg n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2klg n ASN 60 N 0.51 -5.14 -3.56 7.72 2.85 -0.26 -4.89 115.26 112.49 2klg n ASN 60 Ca 0.27 0.19 -0.41 0.00 -0.11 0.00 0.00 54.58 54.52 2klg n ASN 60 Cb 1.11 -3.30 -0.00 0.00 1.24 0.00 0.00 39.78 38.83 2klg n ASN 60 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2klg n ILE 61 N -2.37 5.05 -2.60 -1.44 0.13 -0.98 -4.95 119.36 112.20 2klg n ILE 61 Ca -0.07 -4.33 -0.06 0.00 -1.10 0.00 0.00 62.75 57.19 2klg n ILE 61 Cb 0.45 -2.14 0.03 0.00 -0.84 0.00 0.00 39.64 37.14 2klg n ILE 61 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2klg n GLN 62 N 2.18 0.59 -1.10 9.51 0.00 -1.26 -4.52 117.38 122.78 2klg n GLN 62 Ca 0.58 -0.82 -0.37 0.00 0.00 0.00 0.00 57.00 56.38 2klg n GLN 62 Cb 0.27 -0.15 0.03 0.00 0.00 0.00 0.00 30.24 30.39 2klg n GLN 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2klg n LYS 63 N -1.47 0.00 -1.27 2.61 4.81 -1.26 -2.04 118.16 119.54 2klg n LYS 63 Ca 0.05 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.39 2klg n LYS 63 Cb 0.17 -0.99 -0.04 0.00 0.02 0.00 0.00 35.03 34.19 2klg n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2klg n GLU 64 N 2.06 -1.23 -2.60 1.64 -0.58 -0.44 -4.97 120.64 114.51 2klg n GLU 64 Ca 0.02 0.77 -0.36 0.00 -0.42 0.00 0.00 57.16 57.17 2klg n GLU 64 Cb 0.52 -4.91 -0.05 0.00 -0.57 0.00 0.00 31.44 26.43 2klg n GLU 64 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2klg s SER 65 N -2.50 6.87 -1.14 1.62 1.04 -0.87 -4.98 113.70 113.74 2klg s SER 65 Ca 0.00 1.98 -0.09 0.00 0.48 0.00 0.00 55.95 58.33 2klg s SER 65 Cb 0.00 -2.58 0.26 0.00 0.10 0.00 0.00 66.02 63.80 2klg s SER 65 CO 0.00 -0.41 1.31 0.35 0.98 0.00 0.00 173.24 175.47 2klg n THR 66 N 0.01 4.70 -3.75 2.02 -2.24 -1.26 -4.40 114.28 109.35 2klg n THR 66 Ca 0.05 -5.35 -0.35 0.00 -2.27 0.00 0.00 64.05 56.12 2klg n THR 66 Cb 0.50 -2.43 -0.08 0.00 -2.10 0.00 0.00 70.33 66.22 2klg n THR 66 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2klg s LEU 67 N -1.14 4.24 -0.09 3.22 1.43 -1.26 -5.08 118.68 120.01 2klg s LEU 67 Ca 0.33 0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 53.69 2klg s LEU 67 Cb -0.04 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2klg s LEU 67 CO -0.02 0.22 -0.00 -1.00 0.23 0.00 0.00 176.35 175.78 2klg s HIS 68 N 0.12 3.14 -0.32 0.29 3.76 -1.26 -4.51 115.29 116.51 2klg s HIS 68 Ca 0.09 0.18 -0.17 0.00 -0.15 0.00 0.00 55.06 55.01 2klg s HIS 68 Cb -0.11 -1.79 -0.01 0.00 1.11 0.00 0.00 32.58 31.78 2klg s HIS 68 CO -0.01 0.45 0.48 -1.17 -0.85 0.00 0.00 174.74 173.65 2klg s LEU 69 N -0.86 4.24 0.08 0.89 1.98 -1.26 -3.56 118.68 120.20 2klg s LEU 69 Ca 0.13 0.13 0.07 0.00 -2.89 0.00 0.00 54.13 51.57 2klg s LEU 69 Cb -0.11 -2.56 -0.04 0.00 0.66 0.00 0.00 46.19 44.13 2klg s LEU 69 CO 0.02 -0.39 -0.14 0.54 -1.89 0.00 0.00 176.35 174.50 2klg s VAL 70 N 2.31 3.12 -1.30 1.68 0.11 -1.20 -4.88 120.40 120.24 2klg s VAL 70 Ca 0.18 -1.26 -0.18 0.00 -2.93 0.00 0.00 61.98 57.79 2klg s VAL 70 Cb -0.16 -2.41 0.07 0.00 -1.53 0.00 0.00 36.38 32.36 2klg s VAL 70 CO 0.12 0.19 1.75 0.00 -3.33 0.00 0.00 175.10 173.82 2klg n LEU 71 N 1.01 5.04 -4.42 2.54 -0.00 -1.26 -4.13 117.00 115.77 2klg n LEU 71 Ca -0.15 -3.96 -0.44 0.00 -0.00 0.00 0.00 56.01 51.46 2klg n LEU 71 Cb 0.52 -1.74 -0.03 0.00 -0.00 0.00 0.00 43.42 42.17 2klg n LEU 71 CO 0.30 0.22 0.73 -0.60 -0.00 0.00 0.00 177.39 178.04 2klg s ARG 72 N 4.05 3.33 -0.03 1.47 3.52 -1.22 -4.89 118.95 125.17 2klg s ARG 72 Ca 0.53 -1.47 -0.00 0.00 -0.13 0.00 0.00 55.73 54.66 2klg s ARG 72 Cb 0.04 -4.53 -0.00 0.00 -1.56 0.00 0.00 34.95 28.90 2klg s ARG 72 CO 0.07 -1.69 -0.00 -0.07 -0.81 0.00 0.00 175.30 172.80 2klg h LEU 73 N 10.32 0.00 -9.54 -0.88 3.38 -1.91 -3.44 115.31 113.24 2klg h LEU 73 Ca -0.08 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.32 2klg h LEU 73 Cb 1.05 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 2klg h LEU 73 CO 1.09 0.17 -0.07 -0.60 0.09 0.00 0.00 178.44 179.13 2klg s ARG 74 N -1.19 4.25 0.06 1.13 6.06 -1.26 -5.03 118.95 122.97 2klg s ARG 74 Ca -0.00 0.64 -0.14 0.00 -2.50 0.00 0.00 55.73 53.73 2klg s ARG 74 Cb 0.00 -3.32 -0.06 0.00 0.06 0.00 0.00 34.95 31.62 2klg s ARG 74 CO 0.00 0.42 0.45 0.20 -2.50 0.00 0.00 175.30 173.87 2klg s GLY 75 N -0.32 2.46 0.00 8.12 0.00 -1.26 -5.23 107.32 111.08 2klg s GLY 75 Ca 0.29 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.79 2klg s GLY 75 CO 0.16 0.09 0.08 0.61 0.00 0.00 0.00 173.10 174.04