#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 3.12 0.04 3.17 1.11 -1.26 -4.44 119.66 121.39 2klg s GLN 2 Ca 0.00 -0.87 0.00 0.00 0.01 0.00 0.00 55.36 54.50 2klg s GLN 2 Cb 0.00 -4.07 -0.03 0.00 -1.01 0.00 0.00 33.01 27.91 2klg s GLN 2 CO 0.00 -1.12 -0.04 -1.50 0.01 0.00 0.00 175.29 172.64 2klg s ILE 3 N 2.46 0.25 -0.41 1.08 2.07 -1.26 0.52 121.20 125.91 2klg s ILE 3 Ca 0.14 -1.23 0.03 0.00 -1.41 0.00 0.00 60.65 58.18 2klg s ILE 3 Cb -0.19 -0.73 0.11 0.00 0.13 0.00 0.00 42.46 41.78 2klg s ILE 3 CO 0.12 -0.63 0.14 -0.36 -1.91 0.00 0.00 174.94 172.30 2klg s PHE 4 N -2.20 3.59 0.13 3.50 0.40 -1.26 -4.53 117.98 117.60 2klg s PHE 4 Ca -0.07 -2.97 0.00 0.00 -0.60 0.00 0.00 56.93 53.29 2klg s PHE 4 Cb -0.04 -2.95 -0.04 0.00 0.51 0.00 0.00 43.02 40.49 2klg s PHE 4 CO -0.03 -0.90 0.29 0.08 0.70 0.00 0.00 175.22 175.36 2klg s VAL 5 N 0.59 5.31 -0.13 -0.44 1.01 -1.26 -4.41 120.40 121.07 2klg s VAL 5 Ca 0.12 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 2klg s VAL 5 Cb -0.21 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2klg s VAL 5 CO -0.05 -0.02 -0.12 -0.75 0.00 0.00 0.00 175.10 174.16 2klg s LYS 6 N -2.95 3.35 0.52 2.72 2.20 -1.26 -4.31 119.74 120.01 2klg s LYS 6 Ca 0.36 -0.66 0.09 0.00 -0.36 0.00 0.00 55.97 55.40 2klg s LYS 6 Cb -0.12 -2.65 0.06 0.00 -1.51 0.00 0.00 37.83 33.61 2klg s LYS 6 CO 0.28 0.26 0.71 0.95 -0.36 0.00 0.00 175.35 177.19 2klg s THR 7 N 0.25 2.45 0.31 3.43 -4.23 -1.24 -4.54 115.64 112.06 2klg s THR 7 Ca -0.08 -1.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.76 2klg s THR 7 Cb -0.15 -2.45 0.35 0.00 1.34 0.00 0.00 72.50 71.59 2klg s THR 7 CO 0.05 0.00 2.07 0.17 -0.54 0.00 0.00 174.62 176.36 2klg h LEU 8 N 0.34 0.00 -3.69 4.79 -0.00 -1.94 -2.21 115.31 112.61 2klg h LEU 8 Ca -0.33 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.21 2klg h LEU 8 Cb 1.29 0.00 -0.20 0.00 -0.00 0.00 0.00 40.66 41.75 2klg h LEU 8 CO 0.42 0.07 0.30 0.35 -0.00 0.00 0.00 178.44 179.58 2klg n THR 9 N -3.29 2.89 -2.95 0.15 -2.24 -1.26 -4.86 114.28 102.71 2klg n THR 9 Ca -0.01 -2.22 -0.16 0.00 -2.27 0.00 0.00 64.05 59.40 2klg n THR 9 Cb 0.26 -0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 68.09 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 -1.01 -0.49 3.82 3.38 0.00 -0.83 -4.91 105.19 105.15 2klg n GLY 10 Ca 0.46 0.04 -0.35 0.00 0.00 0.00 0.00 46.02 46.17 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 -5.55 4.23 -0.38 1.61 2.36 -1.26 -4.85 119.74 115.89 2klg s LYS 11 Ca 0.21 0.90 -0.12 0.00 -2.55 0.00 0.00 55.97 54.41 2klg s LYS 11 Cb -0.11 -2.69 0.02 0.00 -1.05 0.00 0.00 37.83 33.99 2klg s LYS 11 CO 0.26 0.28 0.23 -0.08 1.55 0.00 0.00 175.35 177.59 2klg s THR 12 N -1.71 4.76 0.31 3.43 -1.32 -1.26 -3.63 115.64 116.23 2klg s THR 12 Ca 0.48 -0.79 0.06 0.00 -1.21 0.00 0.00 61.69 60.23 2klg s THR 12 Cb -0.15 -3.65 -0.06 0.00 -1.51 0.00 0.00 72.50 67.13 2klg s THR 12 CO 0.20 -0.25 -0.03 0.27 -2.21 0.00 0.00 174.62 172.61 2klg s ILE 13 N 1.59 1.63 0.12 5.08 -4.36 -1.26 -5.09 121.20 118.91 2klg s ILE 13 Ca 0.03 -2.09 0.04 0.00 -0.26 0.00 0.00 60.65 58.37 2klg s ILE 13 Cb -0.19 -2.62 -0.04 0.00 1.25 0.00 0.00 42.46 40.86 2klg s ILE 13 CO 0.08 -0.18 0.14 0.42 0.24 0.00 0.00 174.94 175.63 2klg s THR 14 N -3.01 4.67 -0.00 8.37 -4.23 -1.26 -4.12 115.64 116.06 2klg s THR 14 Ca 0.32 -0.85 0.01 0.00 -1.18 0.00 0.00 61.69 59.99 2klg s THR 14 Cb 0.06 -3.33 -0.00 0.00 1.34 0.00 0.00 72.50 70.57 2klg s THR 14 CO 0.14 0.01 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.98 2klg s LEU 15 N -2.78 2.01 -0.12 4.79 2.96 -1.26 -5.06 118.68 119.22 2klg s LEU 15 Ca 0.31 -0.06 -0.07 0.00 -0.22 0.00 0.00 54.13 54.09 2klg s LEU 15 Cb -0.11 -0.13 -0.04 0.00 0.50 0.00 0.00 46.19 46.41 2klg s LEU 15 CO 0.24 0.02 0.12 -1.83 -1.32 0.00 0.00 176.35 173.58 2klg s GLU 16 N -0.10 3.45 -0.01 1.98 -1.05 -1.26 -3.32 118.70 118.38 2klg s GLU 16 Ca 0.01 -0.18 0.01 0.00 -0.15 0.00 0.00 54.97 54.65 2klg s GLU 16 Cb -0.01 -3.15 0.00 0.00 -0.44 0.00 0.00 34.13 30.53 2klg s GLU 16 CO -0.00 0.72 -0.01 0.08 0.95 0.00 0.00 175.26 177.00 2klg s VAL 17 N -0.88 0.14 0.38 1.83 1.01 -1.26 -4.86 120.40 116.76 2klg s VAL 17 Ca 0.14 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.15 2klg s VAL 17 Cb -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.12 2klg s VAL 17 CO 0.03 0.06 0.52 -1.83 0.00 0.00 0.00 175.10 173.88 2klg s GLU 18 N 0.14 2.96 0.09 2.72 -1.05 -1.26 -4.75 118.70 117.55 2klg s GLU 18 Ca -0.01 -1.14 -0.34 0.00 -0.15 0.00 0.00 54.97 53.33 2klg s GLU 18 Cb -0.03 -2.78 -0.15 0.00 -0.44 0.00 0.00 34.13 30.72 2klg s GLU 18 CO -0.00 -0.12 1.58 -1.35 0.95 0.00 0.00 175.26 176.31 2klg h PRO 19 N 0.76 -0.87 -1.40 -4.83 0.11 -2.03 -2.64 132.00 121.10 2klg h PRO 19 Ca -0.43 0.06 -0.35 0.00 0.11 0.00 0.00 66.00 65.40 2klg h PRO 19 Cb 1.27 0.20 -0.16 0.00 0.11 0.00 0.00 31.00 32.42 2klg h PRO 19 CO 0.49 -0.58 0.45 0.45 -0.21 0.00 0.00 178.00 178.59 2klg n SER 20 N -5.53 6.13 -4.62 -2.05 2.88 -1.26 -4.58 113.62 104.59 2klg n SER 20 Ca -0.11 -3.10 -0.43 0.00 -1.33 0.00 0.00 58.87 53.90 2klg n SER 20 Cb 0.43 -1.00 -0.02 0.00 -0.75 0.00 0.00 64.21 62.87 2klg n SER 20 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2klg s ASP 21 N -0.06 6.60 0.49 -3.46 2.15 -1.00 -5.01 116.67 116.39 2klg s ASP 21 Ca 0.34 1.16 -0.08 0.00 0.43 0.00 0.00 52.55 54.39 2klg s ASP 21 Cb 0.27 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 40.30 2klg s ASP 21 CO 0.00 -1.15 0.84 0.42 -0.17 0.00 0.00 175.17 175.12 2klg s THR 22 N 4.59 4.82 0.45 1.71 -4.23 -1.26 -2.41 115.64 119.31 2klg s THR 22 Ca 0.58 0.49 0.13 0.00 -1.18 0.00 0.00 61.69 61.71 2klg s THR 22 Cb -0.16 -3.83 0.30 0.00 1.34 0.00 0.00 72.50 70.15 2klg s THR 22 CO 0.25 -0.82 2.04 -0.29 -0.54 0.00 0.00 174.62 175.25 2klg h ILE 23 N 0.36 0.96 0.12 2.99 6.09 -0.59 -1.00 117.51 126.44 2klg h ILE 23 Ca -0.46 -0.12 -0.28 0.00 -1.37 0.00 0.00 64.86 62.63 2klg h ILE 23 Cb 1.20 0.59 0.03 0.00 0.47 0.00 0.00 36.82 39.10 2klg h ILE 23 CO 0.62 0.06 -1.17 -0.33 -3.07 0.00 0.00 178.15 174.27 2klg h GLU 24 N 0.35 0.58 -0.39 2.19 5.08 -1.80 -3.28 114.58 117.31 2klg h GLU 24 Ca 0.19 -0.78 -0.04 0.00 -1.00 0.00 0.00 59.36 57.73 2klg h GLU 24 Cb 0.30 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2klg h GLU 24 CO -0.04 1.35 0.09 -0.91 -1.00 0.00 0.00 179.01 178.50 2klg h ASN 25 N 0.19 0.53 0.73 1.42 -0.26 -1.77 -1.76 115.58 114.66 2klg h ASN 25 Ca -0.18 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.48 2klg h ASN 25 Cb 1.85 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 38.98 2klg h ASN 25 CO 0.22 0.54 0.00 1.62 -1.06 0.00 0.00 177.43 178.75 2klg h VAL 26 N 0.57 0.00 -0.62 2.81 3.04 -1.27 -3.06 116.25 117.72 2klg h VAL 26 Ca 0.13 -0.26 0.12 0.00 -1.01 0.00 0.00 66.70 65.68 2klg h VAL 26 Cb 0.22 1.03 -0.04 0.00 -2.01 0.00 0.00 31.29 30.50 2klg h VAL 26 CO -0.00 0.00 0.42 0.50 -1.01 0.00 0.00 177.57 177.48 2klg h LYS 27 N 0.00 0.31 -0.31 4.17 1.63 -1.37 -0.22 116.57 120.77 2klg h LYS 27 Ca 0.00 -0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.67 2klg h LYS 27 Cb 0.37 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 2klg h LYS 27 CO 0.00 0.20 -0.28 0.00 -3.45 0.00 0.00 179.45 175.92 2klg h ALA 28 N 1.70 0.92 -0.49 5.00 0.00 -1.72 -2.81 119.26 121.85 2klg h ALA 28 Ca 0.29 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2klg h ALA 28 Cb 0.72 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2klg h ALA 28 CO -0.07 0.62 0.15 0.87 0.00 0.00 0.00 179.25 180.82 2klg h LYS 29 N 0.56 0.76 -0.03 0.00 1.57 -1.24 -2.68 116.57 115.52 2klg h LYS 29 Ca 0.07 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 2klg h LYS 29 Cb 0.77 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 2klg h LYS 29 CO 0.06 0.72 -0.23 0.97 -0.57 0.00 0.00 179.45 180.40 2klg h ILE 30 N 0.66 1.18 0.00 1.86 2.10 -1.41 -1.96 117.51 119.94 2klg h ILE 30 Ca 0.16 -0.83 -0.00 0.00 1.08 0.00 0.00 64.86 65.26 2klg h ILE 30 Cb 0.27 1.41 -0.00 0.00 -1.09 0.00 0.00 36.82 37.42 2klg h ILE 30 CO -0.00 0.24 -0.02 -0.61 -1.08 0.00 0.00 178.15 176.68 2klg h GLN 31 N 0.04 0.00 -0.38 2.19 4.15 -1.21 -2.89 115.11 117.00 2klg h GLN 31 Ca 0.01 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.54 2klg h GLN 31 Cb 0.43 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 2klg h GLN 31 CO 0.03 0.02 0.48 0.22 -1.93 0.00 0.00 178.83 177.66 2klg h ASP 32 N 0.00 0.00 0.00 -0.69 3.58 -1.33 -3.05 116.42 114.93 2klg h ASP 32 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2klg h ASP 32 Cb 0.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.33 2klg h ASP 32 CO 0.00 0.00 0.00 0.29 -2.88 0.00 0.00 179.24 176.65 2klg n LYS 33 N -3.54 0.00 -2.31 0.28 4.76 -1.09 -4.91 118.16 111.35 2klg n LYS 33 Ca 0.07 0.33 -0.02 0.00 -2.87 0.00 0.00 58.31 55.81 2klg n LYS 33 Cb 0.65 -0.98 0.08 0.00 -1.84 0.00 0.00 35.03 32.94 2klg n LYS 33 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2klg n GLU 34 N -1.48 0.87 -2.93 1.97 -0.00 -1.16 -5.08 120.64 112.84 2klg n GLU 34 Ca 0.00 -0.86 -0.04 0.00 -0.00 0.00 0.00 57.16 56.26 2klg n GLU 34 Cb 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 31.44 31.68 2klg n GLU 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2klg n GLY 35 N -0.95 -2.39 3.60 -1.84 0.00 -1.17 -4.86 105.19 97.60 2klg n GLY 35 Ca -0.12 0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 2klg n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2klg s ILE 36 N -1.59 4.15 0.14 -0.61 1.09 -1.26 -4.93 121.20 118.18 2klg s ILE 36 Ca 0.07 1.19 -0.18 0.00 -1.10 0.00 0.00 60.65 60.63 2klg s ILE 36 Cb -0.01 -4.47 -0.03 0.00 -1.06 0.00 0.00 42.46 36.89 2klg s ILE 36 CO 0.58 -0.89 1.79 -0.65 -0.10 0.00 0.00 174.94 175.68 2klg h PRO 37 N 9.52 0.39 -5.03 2.79 0.11 -2.03 -3.42 132.00 134.33 2klg h PRO 37 Ca -0.24 -0.02 -0.44 0.00 0.11 0.00 0.00 66.00 65.41 2klg h PRO 37 Cb 1.07 -0.09 -0.10 0.00 0.11 0.00 0.00 31.00 32.00 2klg h PRO 37 CO 1.11 0.26 1.82 -2.30 -0.21 0.00 0.00 178.00 178.67 2klg n PRO 38 N -4.88 0.05 0.29 1.05 -0.02 -1.26 -4.74 135.00 125.48 2klg n PRO 38 Ca -0.01 -0.02 0.18 0.00 -2.02 0.00 0.00 63.50 61.63 2klg n PRO 38 Cb 0.03 -1.44 0.78 0.00 -0.02 0.00 0.00 33.50 32.85 2klg n PRO 38 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2klg h ASP 39 N 11.93 0.00 -1.00 2.55 3.04 -2.04 -2.86 116.42 128.04 2klg h ASP 39 Ca -0.02 0.00 -0.59 0.00 -3.24 0.00 0.00 57.03 53.18 2klg h ASP 39 Cb 1.24 0.00 -0.30 0.00 -1.04 0.00 0.00 39.33 39.23 2klg h ASP 39 CO 1.46 0.01 0.76 0.00 -2.04 0.00 0.00 179.24 179.43 2klg n GLN 40 N -3.12 2.44 -3.22 4.15 6.02 -1.26 -4.86 117.38 117.53 2klg n GLN 40 Ca -0.00 -3.13 -0.41 0.00 -0.01 0.00 0.00 57.00 53.45 2klg n GLN 40 Cb 0.26 -2.23 -0.08 0.00 1.02 0.00 0.00 30.24 29.22 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 -3.53 3.67 0.34 -1.09 2.00 -1.08 -5.03 119.66 114.93 2klg s GLN 41 Ca 0.60 -0.09 0.03 0.00 -2.00 0.00 0.00 55.36 53.90 2klg s GLN 41 Cb 0.49 -3.79 -0.01 0.00 0.80 0.00 0.00 33.01 30.49 2klg s GLN 41 CO 0.06 -0.63 0.38 -0.98 -0.50 0.00 0.00 175.29 173.61 2klg s ARG 42 N 2.43 1.84 0.15 1.67 1.70 -1.26 -4.80 118.95 120.67 2klg s ARG 42 Ca 0.20 -1.89 -0.01 0.00 -0.47 0.00 0.00 55.73 53.55 2klg s ARG 42 Cb -0.15 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.57 2klg s ARG 42 CO 0.13 -0.72 0.33 -0.48 -1.08 0.00 0.00 175.30 173.48 2klg s LEU 43 N -3.31 4.28 -1.01 -1.89 2.34 -1.26 -3.01 118.68 114.82 2klg s LEU 43 Ca 0.36 0.37 -0.05 0.00 0.06 0.00 0.00 54.13 54.87 2klg s LEU 43 Cb 0.01 -3.10 0.27 0.00 -0.56 0.00 0.00 46.19 42.80 2klg s LEU 43 CO 0.24 0.04 1.08 0.00 -1.06 0.00 0.00 176.35 176.65 2klg n ILE 44 N -0.28 4.13 -3.57 1.48 3.06 0.19 -4.48 119.36 119.91 2klg n ILE 44 Ca -0.05 -5.42 -0.10 0.00 -2.50 0.00 0.00 62.75 54.68 2klg n ILE 44 Cb 0.53 -2.37 -0.10 0.00 0.54 0.00 0.00 39.64 38.24 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 -1.76 -0.73 -1.61 9.51 2.19 -1.26 -4.69 117.98 119.63 2klg s PHE 45 Ca 0.31 1.20 -0.02 0.00 0.33 0.00 0.00 56.93 58.75 2klg s PHE 45 Cb -0.04 0.15 0.01 0.00 -1.31 0.00 0.00 43.02 41.82 2klg s PHE 45 CO -0.05 -0.53 0.25 0.00 1.83 0.00 0.00 175.22 176.72 2klg n ALA 46 N 5.37 -0.79 -3.61 11.12 0.00 -1.26 -3.29 120.51 128.06 2klg n ALA 46 Ca -0.07 0.20 -0.21 0.00 0.00 0.00 0.00 53.44 53.37 2klg n ALA 46 Cb 0.50 -2.79 0.01 0.00 0.00 0.00 0.00 19.45 17.17 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 -1.19 -1.23 3.45 0.00 0.00 -1.26 -4.97 105.19 99.99 2klg n GLY 47 Ca -0.18 0.54 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.74 3.58 -0.15 1.61 2.20 -1.21 -5.09 119.74 115.94 2klg s LYS 48 Ca 0.09 -0.56 -0.21 0.00 -0.36 0.00 0.00 55.97 54.94 2klg s LYS 48 Cb -0.04 -2.92 -0.03 0.00 -1.51 0.00 0.00 37.83 33.33 2klg s LYS 48 CO 0.86 0.13 0.61 -0.65 -0.36 0.00 0.00 175.35 175.94 2klg s GLN 49 N 0.64 4.29 0.31 4.03 -1.52 -1.26 -4.52 119.66 121.63 2klg s GLN 49 Ca -0.03 0.64 0.16 0.00 -1.95 0.00 0.00 55.36 54.19 2klg s GLN 49 Cb -0.14 -3.51 0.17 0.00 -0.22 0.00 0.00 33.01 29.30 2klg s GLN 49 CO 0.02 -0.08 1.50 1.25 -0.25 0.00 0.00 175.29 177.73 2klg h LEU 50 N 7.51 0.00 0.07 2.90 5.85 -1.93 -3.29 115.31 126.44 2klg h LEU 50 Ca -0.36 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.09 2klg h LEU 50 Cb 1.16 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.20 2klg h LEU 50 CO 0.76 0.43 -1.21 -0.08 -0.34 0.00 0.00 178.44 178.01 2klg h GLU 51 N 0.00 0.37 0.00 1.25 4.81 -1.89 -3.43 114.58 115.68 2klg h GLU 51 Ca -0.00 -0.55 -0.03 0.00 -0.13 0.00 0.00 59.36 58.65 2klg h GLU 51 Cb 1.29 0.19 0.02 0.00 0.63 0.00 0.00 28.75 30.88 2klg h GLU 51 CO 0.06 1.24 -0.01 -3.47 -0.73 0.00 0.00 179.01 176.09 2klg n ASP 52 N -3.63 -1.25 -2.07 1.04 2.03 -1.24 -4.91 116.55 106.52 2klg n ASP 52 Ca -0.10 -0.07 -0.25 0.00 0.52 0.00 0.00 54.79 54.90 2klg n ASP 52 Cb 0.99 -0.12 0.02 0.00 -0.72 0.00 0.00 41.12 41.29 2klg n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2klg n GLY 53 N -0.17 6.36 3.93 0.27 0.00 -1.26 -4.51 105.19 109.81 2klg n GLY 53 Ca 0.01 -2.66 -0.26 0.00 0.00 0.00 0.00 46.02 43.11 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 -3.61 3.49 0.19 1.61 3.00 -1.26 -4.82 118.95 117.56 2klg s ARG 54 Ca 0.52 -0.43 0.03 0.00 0.00 0.00 0.00 55.73 55.84 2klg s ARG 54 Cb 0.41 -2.87 -0.03 0.00 0.00 0.00 0.00 34.95 32.46 2klg s ARG 54 CO 0.02 0.42 0.34 -0.08 0.00 0.00 0.00 175.30 176.00 2klg s THR 55 N -1.87 5.27 0.31 0.02 -1.32 -1.26 0.17 115.64 116.97 2klg s THR 55 Ca 0.37 -0.70 0.01 0.00 -1.21 0.00 0.00 61.69 60.15 2klg s THR 55 Cb -0.11 -3.78 0.20 0.00 -1.51 0.00 0.00 72.50 67.30 2klg s THR 55 CO 0.29 -0.20 1.90 -0.07 -2.21 0.00 0.00 174.62 174.33 2klg h LEU 56 N 1.76 0.73 -0.81 9.08 4.07 -1.80 -2.86 115.31 125.49 2klg h LEU 56 Ca -0.49 -0.09 0.03 0.00 0.08 0.00 0.00 57.88 57.41 2klg h LEU 56 Cb 1.21 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 42.71 2klg h LEU 56 CO 0.66 0.66 0.52 -1.28 -1.08 0.00 0.00 178.44 177.91 2klg h SER 57 N 0.80 0.86 -0.14 -0.43 0.87 -1.80 -1.94 113.55 111.76 2klg h SER 57 Ca 0.19 -0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.79 2klg h SER 57 Cb 0.15 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2klg h SER 57 CO -0.02 0.59 0.17 -2.24 -0.53 0.00 0.00 176.83 174.80 2klg h ASP 58 N 1.01 0.00 -0.62 6.23 3.04 -1.90 0.77 116.42 124.95 2klg h ASP 58 Ca 0.32 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.11 2klg h ASP 58 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2klg h ASP 58 CO -0.11 0.00 0.00 -1.22 -2.04 0.00 0.00 179.24 175.87 2klg n TYR 59 N -3.77 1.16 -2.30 4.15 4.02 -0.74 -4.93 117.16 114.75 2klg n TYR 59 Ca 0.01 -0.50 -0.16 0.00 -0.01 0.00 0.00 57.90 57.24 2klg n TYR 59 Cb 0.28 -0.13 -0.02 0.00 -0.02 0.00 0.00 39.34 39.45 2klg n TYR 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2klg n ASN 60 N 1.19 -4.60 -4.44 7.72 4.13 0.26 -4.90 115.26 114.62 2klg n ASN 60 Ca 0.23 0.15 -0.44 0.00 1.68 0.00 0.00 54.58 56.20 2klg n ASN 60 Cb 0.71 -3.91 -0.03 0.00 -1.54 0.00 0.00 39.78 35.01 2klg n ASN 60 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2klg s ILE 61 N -2.72 4.54 0.57 2.41 -1.16 -1.13 -5.02 121.20 118.68 2klg s ILE 61 Ca 0.00 -0.90 0.03 0.00 -0.51 0.00 0.00 60.65 59.28 2klg s ILE 61 Cb 0.00 -4.69 0.06 0.00 0.61 0.00 0.00 42.46 38.43 2klg s ILE 61 CO 0.00 -1.43 0.79 0.00 -2.81 0.00 0.00 174.94 171.48 2klg s GLN 62 N 3.37 2.38 0.77 3.50 0.00 -1.26 -4.69 119.66 123.74 2klg s GLN 62 Ca 0.25 -1.05 -0.16 0.00 -0.00 0.00 0.00 55.36 54.40 2klg s GLN 62 Cb -0.13 -2.52 -0.04 0.00 0.00 0.00 0.00 33.01 30.31 2klg s GLN 62 CO 0.02 -0.81 0.39 0.36 0.00 0.00 0.00 175.29 175.25 2klg n LYS 63 N -2.35 0.15 -1.66 9.60 2.85 -1.26 -2.21 118.16 123.29 2klg n LYS 63 Ca 0.10 0.09 -0.17 0.00 -1.05 0.00 0.00 58.31 57.28 2klg n LYS 63 Cb 0.60 -1.74 -0.06 0.00 -0.65 0.00 0.00 35.03 33.18 2klg n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2klg n GLU 64 N -0.59 -1.22 -1.58 -1.58 4.71 0.19 -4.99 120.64 115.58 2klg n GLU 64 Ca 0.08 1.05 -0.30 0.00 -0.01 0.00 0.00 57.16 57.98 2klg n GLU 64 Cb 0.51 -5.31 0.20 0.00 -1.01 0.00 0.00 31.44 25.83 2klg n GLU 64 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2klg s SER 65 N -2.70 2.28 -0.95 1.62 0.01 -0.94 -5.00 113.70 108.02 2klg s SER 65 Ca 0.00 0.45 -0.04 0.00 1.31 0.00 0.00 55.95 57.66 2klg s SER 65 Cb 0.00 -0.60 0.24 0.00 0.21 0.00 0.00 66.02 65.87 2klg s SER 65 CO 0.00 -3.27 0.87 -0.89 0.41 0.00 0.00 173.24 170.36 2klg s THR 66 N -3.51 4.89 -0.41 1.44 2.01 -1.26 -4.55 115.64 114.24 2klg s THR 66 Ca 0.72 -3.66 -0.16 0.00 0.31 0.00 0.00 61.69 58.91 2klg s THR 66 Cb -0.07 -4.00 0.02 0.00 0.01 0.00 0.00 72.50 68.46 2klg s THR 66 CO 0.54 -1.11 0.34 -0.22 -0.69 0.00 0.00 174.62 173.49 2klg s LEU 67 N -1.23 4.98 -0.20 4.42 2.96 -1.26 -4.92 118.68 123.42 2klg s LEU 67 Ca 0.28 -0.78 -0.06 0.00 -0.22 0.00 0.00 54.13 53.35 2klg s LEU 67 Cb -0.09 -2.24 -0.03 0.00 0.50 0.00 0.00 46.19 44.34 2klg s LEU 67 CO -0.11 -0.48 0.02 -2.28 -1.32 0.00 0.00 176.35 172.19 2klg s HIS 68 N 1.84 3.09 0.62 5.38 2.46 -1.26 -4.47 115.29 122.95 2klg s HIS 68 Ca 0.08 -0.33 0.02 0.00 0.47 0.00 0.00 55.06 55.30 2klg s HIS 68 Cb -0.18 -2.11 0.08 0.00 -0.13 0.00 0.00 32.58 30.24 2klg s HIS 68 CO 0.11 -0.17 0.86 -0.51 -2.47 0.00 0.00 174.74 172.57 2klg s LEU 69 N 0.96 3.14 -0.08 8.88 1.02 -1.26 0.57 118.68 131.90 2klg s LEU 69 Ca 0.02 -0.31 -0.03 0.00 0.02 0.00 0.00 54.13 53.83 2klg s LEU 69 Cb -0.14 -2.29 -0.04 0.00 0.02 0.00 0.00 46.19 43.75 2klg s LEU 69 CO 0.02 -1.47 0.07 -0.69 0.02 0.00 0.00 176.35 174.30 2klg s VAL 70 N -2.90 4.84 0.05 -1.59 1.01 -1.16 -4.79 120.40 115.86 2klg s VAL 70 Ca 0.62 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 2klg s VAL 70 Cb -0.07 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 2klg s VAL 70 CO 0.41 0.55 1.08 -0.76 0.00 0.00 0.00 175.10 176.38 2klg s LEU 71 N -1.14 4.39 -0.94 3.92 1.43 -1.26 -4.83 118.68 120.25 2klg s LEU 71 Ca 0.16 1.85 -0.04 0.00 -1.03 0.00 0.00 54.13 55.08 2klg s LEU 71 Cb -0.12 -3.58 0.17 0.00 0.03 0.00 0.00 46.19 42.69 2klg s LEU 71 CO 0.06 -0.32 2.37 -1.14 0.23 0.00 0.00 176.35 177.54 2klg n ARG 72 N 3.67 3.85 0.03 1.70 0.00 -1.26 -4.59 116.66 120.06 2klg n ARG 72 Ca 0.07 -3.34 -0.19 0.00 -0.00 0.00 0.00 57.85 54.38 2klg n ARG 72 Cb 0.49 -2.41 -0.14 0.00 0.00 0.00 0.00 32.46 30.39 2klg n ARG 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2klg h LEU 73 N 4.51 0.41 -8.98 6.15 5.85 -1.94 -3.44 115.31 117.87 2klg h LEU 73 Ca 0.56 -0.96 -0.61 0.00 0.84 0.00 0.00 57.88 57.72 2klg h LEU 73 Cb 0.40 -0.13 -0.12 0.00 0.37 0.00 0.00 40.66 41.18 2klg h LEU 73 CO 1.23 1.35 0.14 -0.60 -0.34 0.00 0.00 178.44 180.23 2klg s ARG 74 N -2.40 4.08 0.01 1.25 3.00 -1.26 -4.96 118.95 118.67 2klg s ARG 74 Ca -0.14 0.50 -0.18 0.00 -1.00 0.00 0.00 55.73 54.90 2klg s ARG 74 Cb 0.00 -3.66 -0.28 0.00 0.00 0.00 0.00 34.95 31.02 2klg s ARG 74 CO 0.81 -0.42 1.05 0.78 0.00 0.00 0.00 175.30 177.52 2klg h GLY 75 N 8.94 0.54 0.00 8.12 0.00 -1.99 -3.53 103.07 115.15 2klg h GLY 75 Ca -0.27 -1.11 0.00 0.00 0.00 0.00 0.00 47.33 45.96 2klg h GLY 75 CO 0.77 0.97 0.00 0.61 0.00 0.00 0.00 176.54 178.89