#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klg s GLN 2 N 0.00 3.53 0.04 3.17 -0.21 -1.26 -4.13 119.66 120.80 2klg s GLN 2 Ca 0.00 -1.90 0.00 0.00 0.02 0.00 0.00 55.36 53.48 2klg s GLN 2 Cb 0.00 -4.69 -0.03 0.00 1.00 0.00 0.00 33.01 29.29 2klg s GLN 2 CO 0.00 -1.61 -0.04 -1.50 -2.12 0.00 0.00 175.29 170.02 2klg s ILE 3 N 1.99 0.27 -0.32 1.08 2.07 -1.26 -4.26 121.20 120.77 2klg s ILE 3 Ca 0.26 -1.32 0.02 0.00 -1.41 0.00 0.00 60.65 58.20 2klg s ILE 3 Cb -0.09 -0.85 0.08 0.00 0.13 0.00 0.00 42.46 41.73 2klg s ILE 3 CO -0.07 -0.68 0.01 -0.36 -1.91 0.00 0.00 174.94 171.93 2klg s PHE 4 N -2.44 3.53 0.30 3.50 0.08 -1.26 -4.58 117.98 117.12 2klg s PHE 4 Ca -0.05 -2.60 0.07 0.00 0.12 0.00 0.00 56.93 54.47 2klg s PHE 4 Cb -0.03 -2.55 -0.02 0.00 -0.57 0.00 0.00 43.02 39.85 2klg s PHE 4 CO -0.04 -0.91 0.34 0.08 -0.10 0.00 0.00 175.22 174.59 2klg s VAL 5 N 1.03 4.14 -0.24 -0.44 1.01 -1.26 -3.09 120.40 121.55 2klg s VAL 5 Ca 0.02 -1.20 -0.07 0.00 0.00 0.00 0.00 61.98 60.73 2klg s VAL 5 Cb -0.20 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 2klg s VAL 5 CO -0.06 -0.23 0.05 -0.75 0.00 0.00 0.00 175.10 174.12 2klg s LYS 6 N -4.02 3.65 0.39 2.72 2.47 -1.16 -4.69 119.74 119.10 2klg s LYS 6 Ca 0.40 -0.48 0.06 0.00 -1.56 0.00 0.00 55.97 54.39 2klg s LYS 6 Cb -0.08 -3.27 0.07 0.00 -1.46 0.00 0.00 37.83 33.09 2klg s LYS 6 CO 0.28 -0.13 0.54 0.25 0.16 0.00 0.00 175.35 176.44 2klg n THR 7 N 4.74 0.00 -0.20 3.43 -2.24 -1.26 -4.63 114.28 114.12 2klg n THR 7 Ca -0.16 -1.28 -0.10 0.00 -2.27 0.00 0.00 64.05 60.24 2klg n THR 7 Cb 0.51 -0.69 0.02 0.00 -2.10 0.00 0.00 70.33 68.08 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 1.05 -4.14 3.22 -0.00 -1.92 -3.18 115.31 110.33 2klg h LEU 8 Ca -0.18 -0.33 -0.63 0.00 -0.00 0.00 0.00 57.88 56.74 2klg h LEU 8 Cb 0.83 -0.28 -0.36 0.00 -0.00 0.00 0.00 40.66 40.84 2klg h LEU 8 CO 0.26 1.12 -0.01 0.35 -0.00 0.00 0.00 178.44 180.16 2klg n THR 9 N -4.17 2.99 -3.95 0.15 -2.24 -1.26 -4.81 114.28 101.00 2klg n THR 9 Ca 0.02 -3.97 -0.32 0.00 -2.27 0.00 0.00 64.05 57.52 2klg n THR 9 Cb 0.37 -1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 67.39 2klg n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2klg n GLY 10 N -0.71 -0.45 3.81 3.38 0.00 -1.20 -4.91 105.19 105.11 2klg n GLY 10 Ca 0.50 0.09 -0.36 0.00 0.00 0.00 0.00 46.02 46.25 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 -6.62 4.34 -0.42 1.61 2.20 -1.26 -4.89 119.74 114.70 2klg s LYS 11 Ca 0.62 1.00 -0.18 0.00 -0.36 0.00 0.00 55.97 57.05 2klg s LYS 11 Cb -0.35 -2.86 0.02 0.00 -1.51 0.00 0.00 37.83 33.13 2klg s LYS 11 CO 0.77 0.36 0.49 -0.08 -0.36 0.00 0.00 175.35 176.53 2klg s THR 12 N -1.55 5.03 0.28 3.43 -1.32 -1.26 -4.10 115.64 116.15 2klg s THR 12 Ca 0.45 -0.17 0.07 0.00 -1.21 0.00 0.00 61.69 60.83 2klg s THR 12 Cb -0.17 -4.06 -0.06 0.00 -1.51 0.00 0.00 72.50 66.70 2klg s THR 12 CO 0.22 -0.43 -0.07 0.27 -2.21 0.00 0.00 174.62 172.39 2klg s ILE 13 N 2.31 1.73 0.07 5.08 -4.36 -1.26 -5.11 121.20 119.66 2klg s ILE 13 Ca 0.15 -2.15 0.01 0.00 -0.26 0.00 0.00 60.65 58.40 2klg s ILE 13 Cb -0.16 -2.42 -0.04 0.00 1.25 0.00 0.00 42.46 41.08 2klg s ILE 13 CO 0.15 -0.32 0.21 0.28 0.24 0.00 0.00 174.94 175.49 2klg s THR 14 N -2.96 5.30 -0.29 8.37 -1.32 -1.26 -4.39 115.64 119.09 2klg s THR 14 Ca 0.29 -0.47 -0.02 0.00 -1.21 0.00 0.00 61.69 60.28 2klg s THR 14 Cb 0.03 -3.60 0.10 0.00 -1.51 0.00 0.00 72.50 67.52 2klg s THR 14 CO 0.12 0.11 0.10 -0.22 -2.21 0.00 0.00 174.62 172.52 2klg s LEU 15 N -2.59 1.59 -0.20 9.08 2.96 -1.26 -4.93 118.68 123.33 2klg s LEU 15 Ca 0.34 -1.46 -0.14 0.00 -0.22 0.00 0.00 54.13 52.65 2klg s LEU 15 Cb -0.13 -0.67 -0.04 0.00 0.50 0.00 0.00 46.19 45.85 2klg s LEU 15 CO 0.27 -0.42 0.30 -1.83 -1.32 0.00 0.00 176.35 173.36 2klg s GLU 16 N 1.80 4.17 0.26 1.98 4.04 -1.26 -3.38 118.70 126.30 2klg s GLU 16 Ca 0.09 0.04 0.02 0.00 0.04 0.00 0.00 54.97 55.16 2klg s GLU 16 Cb -0.17 -3.51 -0.04 0.00 0.02 0.00 0.00 34.13 30.44 2klg s GLU 16 CO -0.28 0.06 0.18 0.14 -1.84 0.00 0.00 175.26 173.52 2klg s VAL 17 N 1.02 0.06 0.22 1.83 -7.23 -1.26 -4.82 120.40 110.23 2klg s VAL 17 Ca 0.15 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.38 2klg s VAL 17 Cb -0.14 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 2klg s VAL 17 CO 0.06 0.00 0.19 -1.83 -0.31 0.00 0.00 175.10 173.21 2klg s GLU 18 N -3.89 2.95 0.26 4.82 1.03 -1.26 -4.97 118.70 117.65 2klg s GLU 18 Ca 0.39 -0.98 -0.06 0.00 0.03 0.00 0.00 54.97 54.35 2klg s GLU 18 Cb 0.05 -2.61 0.48 0.00 -0.80 0.00 0.00 34.13 31.25 2klg s GLU 18 CO 0.18 0.43 1.61 -1.00 -1.33 0.00 0.00 175.26 175.15 2klg h PRO 19 N 1.76 0.06 -1.43 -4.83 0.13 -2.05 0.23 132.00 125.86 2klg h PRO 19 Ca -0.48 -0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.30 2klg h PRO 19 Cb 1.23 -0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.19 2klg h PRO 19 CO 0.62 0.04 0.44 -1.13 -0.23 0.00 0.00 178.00 177.74 2klg n SER 20 N -5.42 6.22 -4.64 1.44 3.41 -1.26 -4.79 113.62 108.58 2klg n SER 20 Ca 0.15 -3.09 -0.43 0.00 -0.26 0.00 0.00 58.87 55.24 2klg n SER 20 Cb 0.51 -1.01 -0.02 0.00 -0.26 0.00 0.00 64.21 63.43 2klg n SER 20 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2klg s ASP 21 N -0.00 6.74 0.69 4.04 -4.77 0.79 -4.97 116.67 119.19 2klg s ASP 21 Ca 0.33 1.41 -0.07 0.00 -3.30 0.00 0.00 52.55 50.92 2klg s ASP 21 Cb 0.26 -2.54 0.05 0.00 -1.09 0.00 0.00 42.92 39.61 2klg s ASP 21 CO 0.00 -0.99 1.01 -0.89 0.70 0.00 0.00 175.17 175.00 2klg s THR 22 N 4.15 2.51 0.14 2.11 2.01 -1.26 -3.88 115.64 121.41 2klg s THR 22 Ca 0.57 -0.19 -0.13 0.00 0.31 0.00 0.00 61.69 62.25 2klg s THR 22 Cb -0.19 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 2klg s THR 22 CO 0.21 -0.09 1.54 0.40 -0.69 0.00 0.00 174.62 175.99 2klg h ILE 23 N -0.56 1.27 -0.71 1.82 1.08 -1.61 -2.43 117.51 116.38 2klg h ILE 23 Ca -0.45 -1.21 -0.07 0.00 -0.39 0.00 0.00 64.86 62.75 2klg h ILE 23 Cb 1.31 1.17 -0.03 0.00 -3.07 0.00 0.00 36.82 36.20 2klg h ILE 23 CO 0.61 0.41 0.17 -0.33 -0.69 0.00 0.00 178.15 178.32 2klg h GLU 24 N 0.66 1.14 -0.44 2.37 5.08 -1.89 -1.79 114.58 119.70 2klg h GLU 24 Ca 0.11 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 2klg h GLU 24 Cb 0.64 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2klg h GLU 24 CO 0.04 1.00 0.20 -0.91 -1.00 0.00 0.00 179.01 178.34 2klg h ASN 25 N 1.07 0.58 0.96 1.42 4.21 -1.93 -2.23 115.58 119.67 2klg h ASN 25 Ca 0.22 -0.14 0.00 0.00 1.21 0.00 0.00 56.30 57.59 2klg h ASN 25 Cb 0.37 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.42 2klg h ASN 25 CO 0.00 0.57 0.00 -0.37 -1.29 0.00 0.00 177.43 176.34 2klg h VAL 26 N 0.56 0.00 -0.75 2.81 -1.51 -1.28 -3.07 116.25 113.01 2klg h VAL 26 Ca 0.15 -0.44 0.11 0.00 -1.23 0.00 0.00 66.70 65.29 2klg h VAL 26 Cb 0.15 1.38 -0.05 0.00 -2.13 0.00 0.00 31.29 30.64 2klg h VAL 26 CO -0.02 0.00 0.50 0.50 -1.23 0.00 0.00 177.57 177.32 2klg h LYS 27 N 0.00 0.57 -0.92 5.19 1.63 -0.67 -0.90 116.57 121.47 2klg h LYS 27 Ca 0.00 -0.03 0.06 0.00 -0.85 0.00 0.00 60.65 59.82 2klg h LYS 27 Cb 0.48 -0.13 -0.06 0.00 -0.60 0.00 0.00 32.23 31.92 2klg h LYS 27 CO 0.00 0.38 0.60 0.00 -3.45 0.00 0.00 179.45 176.98 2klg h ALA 28 N 1.63 1.48 -0.50 5.00 0.00 -1.65 -1.34 119.26 123.88 2klg h ALA 28 Ca 0.36 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 2klg h ALA 28 Cb 0.58 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2klg h ALA 28 CO -0.13 0.39 0.09 0.87 0.00 0.00 0.00 179.25 180.48 2klg h LYS 29 N 1.08 0.77 -0.38 0.00 1.57 -1.37 -2.79 116.57 115.43 2klg h LYS 29 Ca 0.39 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 2klg h LYS 29 Cb 0.16 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2klg h LYS 29 CO -0.14 0.72 0.08 0.82 -0.57 0.00 0.00 179.45 180.35 2klg h ILE 30 N 0.74 1.23 -0.17 1.86 1.08 -1.18 -2.48 117.51 118.58 2klg h ILE 30 Ca 0.16 -0.82 0.05 0.00 -0.39 0.00 0.00 64.86 63.86 2klg h ILE 30 Cb 0.32 1.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.09 2klg h ILE 30 CO 0.00 0.28 0.14 -0.61 -0.69 0.00 0.00 178.15 177.28 2klg h GLN 31 N 0.48 0.00 -0.64 2.37 4.15 -1.17 -1.73 115.11 118.58 2klg h GLN 31 Ca 0.12 0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.72 2klg h GLN 31 Cb 0.34 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 2klg h GLN 31 CO 0.00 0.00 0.55 0.22 -1.93 0.00 0.00 178.83 177.68 2klg h ASP 32 N 0.00 0.00 -0.06 -0.69 1.82 -1.23 0.36 116.42 116.63 2klg h ASP 32 Ca 0.08 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.50 2klg h ASP 32 Cb 0.37 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.40 2klg h ASP 32 CO -0.00 0.00 -0.84 0.11 -1.61 0.00 0.00 179.24 176.89 2klg h LYS 33 N 0.00 0.68 0.00 0.28 1.79 -1.46 -3.47 116.57 114.39 2klg h LYS 33 Ca 0.30 -0.65 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 2klg h LYS 33 Cb 1.40 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 32.22 2klg h LYS 33 CO -0.00 1.25 0.00 -0.85 -1.08 0.00 0.00 179.45 178.77 2klg n GLU 34 N -3.97 0.00 0.00 3.15 0.28 0.10 -5.07 120.64 115.13 2klg n GLU 34 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 2klg n GLU 34 Cb 0.78 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.65 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 -0.76 0.70 3.59 -1.84 0.00 -1.09 -4.98 105.19 100.81 2klg n GLY 35 Ca 0.00 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.11 3.99 0.16 -0.61 2.07 -1.26 -4.93 121.20 119.51 2klg s ILE 36 Ca 0.00 0.93 -0.14 0.00 -1.41 0.00 0.00 60.65 60.03 2klg s ILE 36 Cb 0.00 -4.54 0.05 0.00 0.13 0.00 0.00 42.46 38.10 2klg s ILE 36 CO 0.00 -1.12 1.74 -0.65 -1.91 0.00 0.00 174.94 173.00 2klg h PRO 37 N 10.04 0.76 -5.41 3.50 0.11 -2.03 -3.45 132.00 135.53 2klg h PRO 37 Ca -0.25 -0.12 -0.77 0.00 0.11 0.00 0.00 66.00 64.97 2klg h PRO 37 Cb 1.07 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 2klg h PRO 37 CO 1.15 0.63 0.76 -2.30 -0.21 0.00 0.00 178.00 178.03 2klg n PRO 38 N -4.58 0.00 0.00 1.05 -0.02 -1.26 -4.79 135.00 125.40 2klg n PRO 38 Ca 0.02 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.56 2klg n PRO 38 Cb 0.12 -1.35 0.36 0.00 -0.02 0.00 0.00 33.50 32.61 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 4.36 0.00 -0.54 2.55 5.68 -1.26 -2.82 116.55 124.52 2klg n ASP 39 Ca 0.33 -0.61 0.11 0.00 -0.50 0.00 0.00 54.79 54.13 2klg n ASP 39 Cb -0.05 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.33 2klg n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2klg n GLN 40 N -0.88 1.72 -2.66 0.11 6.02 -1.26 -4.76 117.38 115.66 2klg n GLN 40 Ca 0.09 -1.08 -0.42 0.00 -0.01 0.00 0.00 57.00 55.58 2klg n GLN 40 Cb 0.04 -1.41 -0.03 0.00 1.02 0.00 0.00 30.24 29.86 2klg n GLN 40 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2klg s GLN 41 N -1.83 3.27 0.23 -1.09 2.00 -1.13 -4.94 119.66 116.17 2klg s GLN 41 Ca 0.33 -0.66 0.04 0.00 -2.00 0.00 0.00 55.36 53.07 2klg s GLN 41 Cb 0.18 -4.45 -0.02 0.00 0.80 0.00 0.00 33.01 29.52 2klg s GLN 41 CO 0.28 -2.04 0.16 0.54 -0.50 0.00 0.00 175.29 173.72 2klg n ARG 42 N 8.64 0.38 -3.66 1.67 1.74 -1.26 -5.02 116.66 119.15 2klg n ARG 42 Ca 0.08 -2.19 -0.37 0.00 -0.77 0.00 0.00 57.85 54.60 2klg n ARG 42 Cb 0.48 1.63 -0.07 0.00 -1.02 0.00 0.00 32.46 33.49 2klg n ARG 42 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2klg s LEU 43 N 0.00 4.32 -1.00 0.55 2.01 -1.26 -3.67 118.68 119.63 2klg s LEU 43 Ca 0.23 0.53 -0.10 0.00 0.01 0.00 0.00 54.13 54.79 2klg s LEU 43 Cb 0.01 -2.28 0.25 0.00 0.01 0.00 0.00 46.19 44.19 2klg s LEU 43 CO 0.16 0.24 0.97 -0.63 1.01 0.00 0.00 176.35 178.10 2klg s ILE 44 N -0.24 5.73 -0.21 -0.59 1.01 0.23 -4.56 121.20 122.57 2klg s ILE 44 Ca 0.16 -3.15 -0.05 0.00 0.00 0.00 0.00 60.65 57.61 2klg s ILE 44 Cb -0.13 -4.48 0.11 0.00 0.01 0.00 0.00 42.46 37.97 2klg s ILE 44 CO 0.05 -1.12 0.38 0.12 0.00 0.00 0.00 174.94 174.36 2klg s PHE 45 N -0.80 -0.75 -1.47 3.97 2.19 -1.26 -4.63 117.98 115.23 2klg s PHE 45 Ca 0.26 1.14 -0.05 0.00 0.33 0.00 0.00 56.93 58.61 2klg s PHE 45 Cb -0.10 0.13 0.01 0.00 -1.31 0.00 0.00 43.02 41.74 2klg s PHE 45 CO -0.08 -0.57 0.68 0.00 1.83 0.00 0.00 175.22 177.08 2klg n ALA 46 N 5.37 -0.99 -3.67 11.12 0.00 -1.26 -2.33 120.51 128.76 2klg n ALA 46 Ca -0.06 0.30 -0.27 0.00 0.00 0.00 0.00 53.44 53.41 2klg n ALA 46 Cb 0.50 -4.05 -0.02 0.00 0.00 0.00 0.00 19.45 15.88 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 -1.58 -0.47 3.24 0.00 0.00 -1.26 -4.91 105.19 100.21 2klg n GLY 47 Ca -0.09 0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2klg n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2klg s LYS 48 N -6.33 2.51 -0.08 1.61 3.01 -0.98 -5.08 119.74 114.40 2klg s LYS 48 Ca 0.52 -1.33 -0.21 0.00 -1.01 0.00 0.00 55.97 53.93 2klg s LYS 48 Cb -0.28 -3.50 -0.04 0.00 -1.01 0.00 0.00 37.83 32.99 2klg s LYS 48 CO 0.63 -0.77 0.59 -0.65 0.51 0.00 0.00 175.35 175.67 2klg s GLN 49 N 1.35 4.38 -1.53 1.68 1.11 -1.26 -4.56 119.66 120.83 2klg s GLN 49 Ca 0.00 0.68 -0.11 0.00 0.01 0.00 0.00 55.36 55.94 2klg s GLN 49 Cb -0.21 -3.43 -0.05 0.00 -1.01 0.00 0.00 33.01 28.31 2klg s GLN 49 CO 0.01 0.14 2.70 1.47 0.01 0.00 0.00 175.29 179.63 2klg n LEU 50 N 3.59 7.97 -0.03 2.90 -0.00 -1.26 -4.54 117.00 125.64 2klg n LEU 50 Ca -0.04 -4.20 -0.02 0.00 -0.00 0.00 0.00 56.01 51.75 2klg n LEU 50 Cb 0.51 -1.55 -0.01 0.00 -0.00 0.00 0.00 43.42 42.38 2klg n LEU 50 CO 0.45 1.69 -0.12 -0.08 -0.00 0.00 0.00 177.39 179.33 2klg h GLU 51 N 5.40 0.00 -6.22 1.47 4.57 -1.99 -3.47 114.58 114.33 2klg h GLU 51 Ca 0.77 0.00 -0.70 0.00 -1.18 0.00 0.00 59.36 58.25 2klg h GLU 51 Cb 0.38 0.00 0.04 0.00 -0.16 0.00 0.00 28.75 29.00 2klg h GLU 51 CO 1.80 0.00 0.68 -3.47 -1.18 0.00 0.00 179.01 176.84 2klg n ASP 52 N -3.12 2.07 -3.11 1.04 -0.08 -1.26 -4.73 116.55 107.36 2klg n ASP 52 Ca -0.02 1.09 -0.13 0.00 -1.51 0.00 0.00 54.79 54.22 2klg n ASP 52 Cb 0.09 -1.18 -0.01 0.00 2.34 0.00 0.00 41.12 42.35 2klg n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2klg n GLY 53 N 3.33 2.28 1.15 0.27 0.00 -1.26 -4.73 105.19 106.22 2klg n GLY 53 Ca 0.22 -0.44 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 2klg n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2klg n ARG 54 N 4.83 1.15 -3.81 1.61 3.00 -1.26 -4.44 116.66 117.74 2klg n ARG 54 Ca 0.22 -1.00 -0.34 0.00 -0.01 0.00 0.00 57.85 56.72 2klg n ARG 54 Cb 0.08 0.06 -0.05 0.00 0.00 0.00 0.00 32.46 32.55 2klg n ARG 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2klg s THR 55 N -0.61 5.35 0.29 0.55 2.01 -1.26 -1.96 115.64 120.02 2klg s THR 55 Ca 0.12 0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.22 2klg s THR 55 Cb -0.01 -3.55 0.28 0.00 0.01 0.00 0.00 72.50 69.23 2klg s THR 55 CO 0.07 0.36 1.78 0.17 -0.69 0.00 0.00 174.62 176.31 2klg h LEU 56 N 3.97 0.74 -0.08 4.42 8.10 -1.82 -1.86 115.31 128.77 2klg h LEU 56 Ca -0.50 0.09 0.03 0.00 0.11 0.00 0.00 57.88 57.62 2klg h LEU 56 Cb 1.20 -0.04 -0.04 0.00 -0.44 0.00 0.00 40.66 41.34 2klg h LEU 56 CO 0.67 0.28 -0.15 -1.28 -4.11 0.00 0.00 178.44 173.85 2klg h SER 57 N 0.75 -0.47 0.37 0.17 0.87 -1.85 -0.98 113.55 112.41 2klg h SER 57 Ca 0.54 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 61.18 2klg h SER 57 Cb 0.79 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2klg h SER 57 CO -0.37 -0.21 0.00 -2.24 -0.53 0.00 0.00 176.83 173.49 2klg h ASP 58 N -0.22 0.00 -0.89 6.23 3.04 -1.65 -2.90 116.42 120.04 2klg h ASP 58 Ca 0.08 0.00 -0.58 0.00 -3.24 0.00 0.00 57.03 53.29 2klg h ASP 58 Cb 0.33 0.00 -0.26 0.00 -1.04 0.00 0.00 39.33 38.35 2klg h ASP 58 CO -0.21 0.00 0.75 0.00 -2.04 0.00 0.00 179.24 177.74 2klg n TYR 59 N -2.45 2.86 0.00 4.15 9.36 -0.38 -4.91 117.16 125.79 2klg n TYR 59 Ca -0.00 -2.61 0.00 0.00 3.32 0.00 0.00 57.90 58.61 2klg n TYR 59 Cb 0.14 -1.26 0.00 0.00 -0.63 0.00 0.00 39.34 37.58 2klg n TYR 59 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2klg n ASN 60 N -0.71 0.00 -4.59 2.98 2.85 -1.09 -4.86 115.26 109.83 2klg n ASN 60 Ca 0.56 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.60 2klg n ASN 60 Cb 0.81 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.81 2klg n ASN 60 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 2klg s ILE 61 N 0.00 4.04 0.29 -1.44 -4.36 -1.19 -4.97 121.20 113.56 2klg s ILE 61 Ca 0.00 1.00 0.05 0.00 -0.26 0.00 0.00 60.65 61.44 2klg s ILE 61 Cb 0.00 -4.55 0.05 0.00 1.25 0.00 0.00 42.46 39.20 2klg s ILE 61 CO 0.00 -1.09 0.37 1.67 0.24 0.00 0.00 174.94 176.13 2klg n GLN 62 N 8.18 0.84 -1.45 0.37 7.27 -1.26 -3.19 117.38 128.14 2klg n GLN 62 Ca 0.12 -1.57 -0.38 0.00 0.07 0.00 0.00 57.00 55.24 2klg n GLN 62 Cb 0.49 -0.08 0.05 0.00 2.41 0.00 0.00 30.24 33.10 2klg n GLN 62 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2klg n LYS 63 N -1.57 0.52 -1.42 3.69 4.01 -1.26 -1.92 118.16 120.20 2klg n LYS 63 Ca 0.07 0.21 -0.15 0.00 -0.51 0.00 0.00 58.31 57.93 2klg n LYS 63 Cb 0.30 -1.78 -0.06 0.00 -0.51 0.00 0.00 35.03 32.98 2klg n LYS 63 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 2klg n GLU 64 N -0.29 -1.12 -1.59 1.97 4.07 -1.26 -4.99 120.64 117.43 2klg n GLU 64 Ca 0.12 1.00 -0.30 0.00 -0.06 0.00 0.00 57.16 57.92 2klg n GLU 64 Cb 0.48 -5.16 0.21 0.00 -0.06 0.00 0.00 31.44 26.90 2klg n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2klg s SER 65 N -2.78 2.26 -0.35 4.31 0.01 -0.81 -5.00 113.70 111.35 2klg s SER 65 Ca 0.00 0.43 -0.15 0.00 1.31 0.00 0.00 55.95 57.54 2klg s SER 65 Cb 0.00 -0.57 -0.01 0.00 0.21 0.00 0.00 66.02 65.65 2klg s SER 65 CO 0.00 -3.28 0.37 -0.89 0.41 0.00 0.00 173.24 169.86 2klg s THR 66 N -3.52 5.16 -0.84 1.44 2.01 -1.26 -4.55 115.64 114.07 2klg s THR 66 Ca 0.72 0.02 -0.14 0.00 0.31 0.00 0.00 61.69 62.60 2klg s THR 66 Cb -0.06 -3.85 0.21 0.00 0.01 0.00 0.00 72.50 68.81 2klg s THR 66 CO 0.54 -0.12 0.81 -0.76 -0.69 0.00 0.00 174.62 174.40 2klg s LEU 67 N 2.04 6.60 -0.67 4.42 1.02 -1.18 -4.91 118.68 126.00 2klg s LEU 67 Ca 0.12 -2.65 -0.15 0.00 0.02 0.00 0.00 54.13 51.47 2klg s LEU 67 Cb -0.17 -2.23 0.17 0.00 0.02 0.00 0.00 46.19 43.99 2klg s LEU 67 CO 0.12 -0.61 0.62 -1.00 0.02 0.00 0.00 176.35 175.50 2klg s HIS 68 N 0.37 3.49 0.67 0.29 3.76 -1.26 -3.00 115.29 119.61 2klg s HIS 68 Ca 0.20 -1.64 0.02 0.00 -0.15 0.00 0.00 55.06 53.49 2klg s HIS 68 Cb -0.09 -3.80 0.11 0.00 1.11 0.00 0.00 32.58 29.90 2klg s HIS 68 CO -0.09 -1.00 0.92 -0.51 -0.85 0.00 0.00 174.74 173.21 2klg s LEU 69 N 0.91 3.04 0.19 0.89 1.43 -1.26 0.76 118.68 124.64 2klg s LEU 69 Ca 0.10 -0.44 0.05 0.00 -1.03 0.00 0.00 54.13 52.81 2klg s LEU 69 Cb -0.21 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 2klg s LEU 69 CO -0.03 -1.67 0.21 0.54 0.23 0.00 0.00 176.35 175.63 2klg s VAL 70 N -2.99 4.78 0.54 -1.59 0.11 -1.24 -4.86 120.40 115.14 2klg s VAL 70 Ca 0.64 -1.04 -0.17 0.00 -2.93 0.00 0.00 61.98 58.48 2klg s VAL 70 Cb -0.06 -3.50 -0.06 0.00 -1.53 0.00 0.00 36.38 31.23 2klg s VAL 70 CO 0.42 -0.18 1.03 -0.76 -3.33 0.00 0.00 175.10 172.28 2klg s LEU 71 N -3.40 3.64 -0.25 2.54 1.43 -1.26 -4.89 118.68 116.49 2klg s LEU 71 Ca 0.33 1.77 0.05 0.00 -1.03 0.00 0.00 54.13 55.25 2klg s LEU 71 Cb -0.10 -4.53 0.51 0.00 0.03 0.00 0.00 46.19 42.10 2klg s LEU 71 CO 0.26 -0.87 1.53 0.54 0.23 0.00 0.00 176.35 178.04 2klg n ARG 72 N -1.58 2.60 -0.01 1.70 1.74 -1.26 -4.51 116.66 115.33 2klg n ARG 72 Ca 0.08 -2.13 -0.00 0.00 -0.77 0.00 0.00 57.85 55.03 2klg n ARG 72 Cb 0.53 -1.90 -0.00 0.00 -1.02 0.00 0.00 32.46 30.07 2klg n ARG 72 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2klg h LEU 73 N 1.70 0.00-10.21 0.55 -0.00 -1.95 -3.47 115.31 101.93 2klg h LEU 73 Ca 0.27 0.00 -0.50 0.00 -0.00 0.00 0.00 57.88 57.65 2klg h LEU 73 Cb 2.00 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 42.67 2klg h LEU 73 CO 0.60 0.12 -0.03 -0.60 -0.00 0.00 0.00 178.44 178.54 2klg s ARG 74 N -1.13 3.59 0.00 1.13 3.52 -1.26 -5.05 118.95 119.74 2klg s ARG 74 Ca -0.00 0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.67 2klg s ARG 74 Cb 0.00 -2.52 0.00 0.00 -1.56 0.00 0.00 34.95 30.87 2klg s ARG 74 CO 0.00 0.02 0.00 0.41 -0.81 0.00 0.00 175.30 174.92 2klg n GLY 75 N -1.65 2.40 0.70 8.12 0.00 -1.26 -5.01 105.19 108.49 2klg n GLY 75 Ca -0.01 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.86 2klg n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93