#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 4.10 0.04 3.17 -0.21 -1.26 -4.32 119.66 121.18 2klg s GLN 2 Ca 0.00 0.12 -0.00 0.00 0.02 0.00 0.00 55.36 55.50 2klg s GLN 2 Cb 0.00 -3.59 -0.03 0.00 1.00 0.00 0.00 33.01 30.39 2klg s GLN 2 CO 0.00 -0.14 -0.03 0.42 -2.12 0.00 0.00 175.29 173.42 2klg s ILE 3 N 1.63 0.21 -0.47 1.08 1.01 -1.26 0.10 121.20 123.51 2klg s ILE 3 Ca 0.17 -1.39 0.03 0.00 0.00 0.00 0.00 60.65 59.46 2klg s ILE 3 Cb -0.15 -0.93 0.12 0.00 0.01 0.00 0.00 42.46 41.51 2klg s ILE 3 CO 0.08 -0.74 0.21 -0.36 0.00 0.00 0.00 174.94 174.13 2klg s PHE 4 N -2.70 3.42 0.16 3.97 0.08 -1.26 -4.71 117.98 116.94 2klg s PHE 4 Ca -0.04 -3.02 0.11 0.00 0.12 0.00 0.00 56.93 54.10 2klg s PHE 4 Cb -0.01 -2.93 -0.04 0.00 -0.57 0.00 0.00 43.02 39.47 2klg s PHE 4 CO -0.05 -0.84 -0.25 0.08 -0.10 0.00 0.00 175.22 174.07 2klg s VAL 5 N 0.21 2.37 -0.07 -0.44 1.01 -1.26 -3.79 120.40 118.44 2klg s VAL 5 Ca 0.14 -1.86 0.01 0.00 0.00 0.00 0.00 61.98 60.27 2klg s VAL 5 Cb -0.23 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 2klg s VAL 5 CO -0.03 -0.01 -0.06 -1.59 0.00 0.00 0.00 175.10 173.42 2klg s LYS 6 N -2.36 2.77 0.00 2.72 -2.85 -1.25 -4.17 119.74 114.61 2klg s LYS 6 Ca 0.18 -0.54 0.00 0.00 -1.00 0.00 0.00 55.97 54.61 2klg s LYS 6 Cb -0.09 -2.62 0.00 0.00 -2.06 0.00 0.00 37.83 33.06 2klg s LYS 6 CO 0.08 0.67 0.00 0.25 0.10 0.00 0.00 175.35 176.45 2klg n THR 7 N 2.16 0.00 -0.19 3.79 -2.24 -1.24 -4.08 114.28 112.48 2klg n THR 7 Ca -0.18 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.51 2klg n THR 7 Cb 0.53 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.88 -3.97 3.22 -0.00 -1.94 -3.15 115.31 110.35 2klg h LEU 8 Ca 0.00 -0.27 -0.61 0.00 -0.00 0.00 0.00 57.88 57.00 2klg h LEU 8 Cb 0.00 -0.23 -0.37 0.00 -0.00 0.00 0.00 40.66 40.06 2klg h LEU 8 CO 0.00 0.92 -0.07 0.41 -0.00 0.00 0.00 178.44 179.70 2klg n THR 9 N -4.35 2.99 -3.89 0.15 -1.04 -1.26 -4.68 114.28 102.21 2klg n THR 9 Ca 0.02 -3.79 -0.31 0.00 -2.04 0.00 0.00 64.05 57.93 2klg n THR 9 Cb 0.27 -1.16 0.00 0.00 -1.82 0.00 0.00 70.33 67.62 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 -0.76 -0.48 3.78 3.41 0.00 -1.19 -4.92 105.19 105.03 2klg n GLY 10 Ca 0.51 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 46.32 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 -6.58 4.14 -0.50 1.61 2.20 -1.26 -4.72 119.74 114.63 2klg s LYS 11 Ca 0.64 1.57 -0.19 0.00 -0.36 0.00 0.00 55.97 57.62 2klg s LYS 11 Cb -0.33 -2.57 0.05 0.00 -1.51 0.00 0.00 37.83 33.48 2klg s LYS 11 CO 0.79 -0.18 0.63 -0.08 -0.36 0.00 0.00 175.35 176.15 2klg s THR 12 N -1.61 4.86 0.26 3.43 -1.32 -1.26 -3.59 115.64 116.41 2klg s THR 12 Ca 0.58 -0.39 0.07 0.00 -1.21 0.00 0.00 61.69 60.74 2klg s THR 12 Cb -0.24 -4.29 -0.05 0.00 -1.51 0.00 0.00 72.50 66.41 2klg s THR 12 CO 0.29 -0.78 -0.09 0.27 -2.21 0.00 0.00 174.62 172.10 2klg s ILE 13 N 2.68 1.76 0.11 5.08 -5.25 -1.26 -5.10 121.20 119.22 2klg s ILE 13 Ca 0.16 -2.17 0.02 0.00 -0.99 0.00 0.00 60.65 57.68 2klg s ILE 13 Cb -0.18 -2.35 -0.04 0.00 2.95 0.00 0.00 42.46 42.84 2klg s ILE 13 CO 0.13 -0.37 0.20 0.42 -1.79 0.00 0.00 174.94 173.53 2klg s THR 14 N -2.95 5.07 -0.42 8.37 -4.23 -1.26 -4.40 115.64 115.83 2klg s THR 14 Ca 0.28 -0.67 0.02 0.00 -1.18 0.00 0.00 61.69 60.14 2klg s THR 14 Cb 0.02 -3.54 0.12 0.00 1.34 0.00 0.00 72.50 70.45 2klg s THR 14 CO 0.11 0.02 0.20 -0.22 -0.54 0.00 0.00 174.62 174.18 2klg s LEU 15 N -2.83 3.00 -0.26 4.79 2.96 -1.26 -5.04 118.68 120.03 2klg s LEU 15 Ca 0.33 -2.44 -0.10 0.00 -0.22 0.00 0.00 54.13 51.70 2klg s LEU 15 Cb -0.12 -1.13 -0.05 0.00 0.50 0.00 0.00 46.19 45.39 2klg s LEU 15 CO 0.26 -0.30 0.16 -0.70 -1.32 0.00 0.00 176.35 174.45 2klg s GLU 16 N 0.57 3.94 0.26 1.98 2.12 -1.26 -4.08 118.70 122.22 2klg s GLU 16 Ca 0.15 -0.33 0.02 0.00 0.36 0.00 0.00 54.97 55.18 2klg s GLU 16 Cb -0.23 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.56 2klg s GLU 16 CO -0.05 -0.11 0.19 0.14 -0.54 0.00 0.00 175.26 174.90 2klg s VAL 17 N 1.52 0.00 0.43 3.70 -7.23 -1.26 -4.90 120.40 112.66 2klg s VAL 17 Ca 0.07 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.28 2klg s VAL 17 Cb -0.15 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.30 2klg s VAL 17 CO 0.08 0.00 0.61 -1.61 -0.31 0.00 0.00 175.10 173.87 2klg s GLU 18 N -3.85 2.91 0.20 4.82 2.02 -1.26 -4.80 118.70 118.74 2klg s GLU 18 Ca 0.40 -0.89 -0.11 0.00 0.02 0.00 0.00 54.97 54.39 2klg s GLU 18 Cb 0.05 -2.67 0.16 0.00 0.10 0.00 0.00 34.13 31.77 2klg s GLU 18 CO 0.19 -0.27 1.86 -1.35 0.02 0.00 0.00 175.26 175.71 2klg h PRO 19 N 0.53 0.86 -0.12 0.39 0.11 -2.04 -2.09 132.00 129.64 2klg h PRO 19 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2klg h PRO 19 Cb 1.27 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2klg h PRO 19 CO 0.52 0.57 0.00 0.43 -0.21 0.00 0.00 178.00 179.31 2klg n SER 20 N -4.64 1.53 -4.66 -2.05 7.64 -1.26 -4.88 113.62 105.31 2klg n SER 20 Ca 0.07 -1.63 -0.43 0.00 1.01 0.00 0.00 58.87 57.89 2klg n SER 20 Cb 0.05 -0.07 -0.02 0.00 -1.01 0.00 0.00 64.21 63.16 2klg n SER 20 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2klg s ASP 21 N -1.69 6.94 0.63 6.43 2.15 -0.79 -5.02 116.67 125.32 2klg s ASP 21 Ca 0.34 1.71 -0.07 0.00 0.43 0.00 0.00 52.55 54.96 2klg s ASP 21 Cb 0.18 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.28 2klg s ASP 21 CO 0.28 -0.76 0.95 0.28 -0.17 0.00 0.00 175.17 175.75 2klg s THR 22 N 3.46 3.37 0.33 1.71 -1.32 -1.26 -4.54 115.64 117.39 2klg s THR 22 Ca 0.55 0.02 0.03 0.00 -1.21 0.00 0.00 61.69 61.09 2klg s THR 22 Cb -0.22 -3.37 0.29 0.00 -1.51 0.00 0.00 72.50 67.69 2klg s THR 22 CO 0.15 -0.40 1.93 0.40 -2.21 0.00 0.00 174.62 174.49 2klg h ILE 23 N -0.33 1.03 -0.75 5.08 1.08 -1.59 -0.99 117.51 121.05 2klg h ILE 23 Ca -0.45 -0.30 0.20 0.00 -0.39 0.00 0.00 64.86 63.91 2klg h ILE 23 Cb 1.27 0.07 -0.04 0.00 -3.07 0.00 0.00 36.82 35.05 2klg h ILE 23 CO 0.61 0.16 0.52 -0.33 -0.69 0.00 0.00 178.15 178.42 2klg h GLU 24 N 0.88 0.13 -0.23 2.37 5.08 -1.78 -0.82 114.58 120.21 2klg h GLU 24 Ca 0.36 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.58 2klg h GLU 24 Cb 0.25 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2klg h GLU 24 CO -0.13 0.08 -0.37 -0.91 -1.00 0.00 0.00 179.01 176.69 2klg h ASN 25 N 0.13 0.72 0.37 1.42 4.21 -1.52 -3.05 115.58 117.85 2klg h ASN 25 Ca 0.36 -0.53 -0.01 0.00 1.21 0.00 0.00 56.30 57.34 2klg h ASN 25 Cb 1.25 -0.20 -0.00 0.00 -1.12 0.00 0.00 38.32 38.24 2klg h ASN 25 CO -0.05 1.10 -0.03 1.62 -1.29 0.00 0.00 177.43 178.78 2klg h VAL 26 N 0.35 0.19 -0.73 2.81 3.04 -1.17 -2.62 116.25 118.12 2klg h VAL 26 Ca 0.02 -0.28 0.12 0.00 -1.01 0.00 0.00 66.70 65.54 2klg h VAL 26 Cb 0.96 1.23 -0.05 0.00 -2.01 0.00 0.00 31.29 31.42 2klg h VAL 26 CO 0.08 0.03 0.48 0.50 -1.01 0.00 0.00 177.57 177.66 2klg h LYS 27 N 0.00 0.52 -0.51 4.17 1.63 -1.37 -0.27 116.57 120.74 2klg h LYS 27 Ca -0.00 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.70 2klg h LYS 27 Cb 0.23 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.72 2klg h LYS 27 CO 0.00 0.34 0.02 0.00 -3.45 0.00 0.00 179.45 176.37 2klg h ALA 28 N 1.64 1.08 -0.10 5.00 0.00 -1.63 -0.95 119.26 124.29 2klg h ALA 28 Ca 0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2klg h ALA 28 Cb 0.62 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2klg h ALA 28 CO -0.12 0.59 0.03 0.87 0.00 0.00 0.00 179.25 180.62 2klg h LYS 29 N 0.79 0.16 -0.64 0.00 1.57 -1.21 -1.95 116.57 115.29 2klg h LYS 29 Ca 0.16 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 2klg h LYS 29 Cb 0.44 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 2klg h LYS 29 CO 0.02 0.31 0.12 0.97 -0.57 0.00 0.00 179.45 180.29 2klg h ILE 30 N -0.01 1.26 0.00 1.86 2.10 -1.35 -2.13 117.51 119.23 2klg h ILE 30 Ca 0.03 -0.99 -0.01 0.00 1.08 0.00 0.00 64.86 64.97 2klg h ILE 30 Cb 0.21 0.64 -0.00 0.00 -1.09 0.00 0.00 36.82 36.57 2klg h ILE 30 CO -0.00 0.37 -0.04 -0.61 -1.08 0.00 0.00 178.15 176.79 2klg h GLN 31 N 0.98 0.00 0.00 2.19 4.15 -1.04 -2.66 115.11 118.74 2klg h GLN 31 Ca 0.20 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.62 2klg h GLN 31 Cb 0.41 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.10 2klg h GLN 31 CO 0.01 0.04 0.00 -3.47 -1.93 0.00 0.00 178.83 173.48 2klg n ASP 32 N -3.25 0.28 0.04 -0.69 -0.08 -0.74 -2.05 116.55 110.05 2klg n ASP 32 Ca -0.01 0.62 -0.13 0.00 -1.51 0.00 0.00 54.79 53.76 2klg n ASP 32 Cb 0.21 -0.66 -0.02 0.00 2.34 0.00 0.00 41.12 42.98 2klg n ASP 32 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2klg h LYS 33 N 0.00 0.52 0.00 -0.67 2.10 -1.64 -3.46 116.57 113.42 2klg h LYS 33 Ca 0.00 -0.47 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2klg h LYS 33 Cb 0.04 0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 2klg h LYS 33 CO 0.00 1.10 0.00 -1.91 -2.00 0.00 0.00 179.45 176.64 2klg n GLU 34 N -3.84 0.00 0.00 0.07 2.13 -0.87 -5.08 120.64 113.05 2klg n GLU 34 Ca -0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.76 2klg n GLU 34 Cb 0.76 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.47 2klg n GLU 34 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2klg n GLY 35 N -0.76 0.62 3.56 8.31 0.00 -1.07 -5.07 105.19 110.77 2klg n GLY 35 Ca 0.00 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 2klg n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2klg s ILE 36 N 0.00 3.76 0.24 -0.61 -5.25 -1.26 -4.92 121.20 113.17 2klg s ILE 36 Ca 0.00 0.55 -0.05 0.00 -0.99 0.00 0.00 60.65 60.16 2klg s ILE 36 Cb 0.00 -4.69 0.21 0.00 2.95 0.00 0.00 42.46 40.93 2klg s ILE 36 CO 0.00 -1.52 1.80 1.55 -1.79 0.00 0.00 174.94 174.98 2klg h PRO 37 N 10.59 0.74 -5.47 0.37 0.13 -1.97 -3.43 132.00 132.95 2klg h PRO 37 Ca -0.27 -0.04 -0.66 0.00 -0.87 0.00 0.00 66.00 64.16 2klg h PRO 37 Cb 1.07 -0.17 -0.06 0.00 0.13 0.00 0.00 31.00 31.98 2klg h PRO 37 CO 1.23 0.49 1.42 -2.30 -0.23 0.00 0.00 178.00 178.61 2klg n PRO 38 N -4.76 0.00 0.19 1.56 -0.01 -1.26 -4.78 135.00 125.94 2klg n PRO 38 Ca 0.13 0.00 0.14 0.00 -0.01 0.00 0.00 63.50 63.76 2klg n PRO 38 Cb 0.28 -1.45 0.60 0.00 -0.01 0.00 0.00 33.50 32.92 2klg n PRO 38 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 175.50 175.05 2klg h ASP 39 N 9.69 0.00 -0.65 2.55 3.32 -2.02 -2.89 116.42 126.43 2klg h ASP 39 Ca -0.08 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.66 2klg h ASP 39 Cb 1.34 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.70 2klg h ASP 39 CO 1.15 0.00 0.39 0.00 -1.72 0.00 0.00 179.24 179.06 2klg n GLN 40 N -2.54 2.13 -3.02 3.56 6.02 -1.26 -4.81 117.38 117.46 2klg n GLN 40 Ca 0.01 -2.09 -0.45 0.00 -0.01 0.00 0.00 57.00 54.47 2klg n GLN 40 Cb 0.23 -1.85 -0.02 0.00 1.02 0.00 0.00 30.24 29.62 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 -2.26 3.65 0.32 -1.09 0.74 -1.09 -4.95 119.66 114.97 2klg s GLN 41 Ca 0.39 -2.00 0.03 0.00 0.05 0.00 0.00 55.36 53.83 2klg s GLN 41 Cb 0.32 -4.82 -0.01 0.00 1.10 0.00 0.00 33.01 29.60 2klg s GLN 41 CO 0.08 -1.66 0.36 2.89 -0.55 0.00 0.00 175.29 176.41 2klg n ARG 42 N 5.86 0.52 -3.70 1.67 -4.01 -1.26 -4.81 116.66 110.93 2klg n ARG 42 Ca 0.23 -2.88 -0.22 0.00 -1.04 0.00 0.00 57.85 53.94 2klg n ARG 42 Cb 0.48 2.55 -0.02 0.00 -3.04 0.00 0.00 32.46 32.43 2klg n ARG 42 CO 0.00 0.00 0.00 -0.48 -3.04 0.00 0.00 177.63 174.11 2klg s LEU 43 N 0.00 4.18 -1.10 2.89 2.34 -1.26 -3.27 118.68 122.45 2klg s LEU 43 Ca 0.32 0.22 -0.08 0.00 0.06 0.00 0.00 54.13 54.65 2klg s LEU 43 Cb 0.01 -3.05 0.27 0.00 -0.56 0.00 0.00 46.19 42.86 2klg s LEU 43 CO 0.23 -0.18 1.09 -0.51 -1.06 0.00 0.00 176.35 175.92 2klg s ILE 44 N -2.13 5.88 -0.26 1.48 2.07 -0.49 -4.56 121.20 123.19 2klg s ILE 44 Ca 0.37 -3.49 -0.01 0.00 -1.41 0.00 0.00 60.65 56.11 2klg s ILE 44 Cb -0.09 -4.53 0.14 0.00 0.13 0.00 0.00 42.46 38.11 2klg s ILE 44 CO 0.32 -1.18 0.37 0.12 -1.91 0.00 0.00 174.94 172.66 2klg s PHE 45 N -1.30 -0.83 -1.43 3.50 5.36 -1.26 -4.79 117.98 117.22 2klg s PHE 45 Ca 0.31 0.54 -0.01 0.00 -0.96 0.00 0.00 56.93 56.81 2klg s PHE 45 Cb -0.10 -0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.48 2klg s PHE 45 CO -0.08 -0.83 0.13 0.00 -1.46 0.00 0.00 175.22 172.98 2klg n ALA 46 N 5.35 -0.58 -4.01 11.12 0.00 -1.26 -3.17 120.51 127.97 2klg n ALA 46 Ca -0.02 0.16 -0.31 0.00 0.00 0.00 0.00 53.44 53.28 2klg n ALA 46 Cb 0.49 -2.26 -0.02 0.00 0.00 0.00 0.00 19.45 17.67 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 -1.11 -0.41 3.39 0.00 0.00 -1.26 -4.94 105.19 100.87 2klg n GLY 47 Ca -0.18 0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -6.76 3.25 0.69 1.61 2.47 -1.19 -5.10 119.74 114.71 2klg s LYS 48 Ca 0.15 -0.76 -0.03 0.00 -1.56 0.00 0.00 55.97 53.77 2klg s LYS 48 Cb -0.06 -3.43 0.09 0.00 -1.46 0.00 0.00 37.83 32.96 2klg s LYS 48 CO 0.92 -0.40 0.97 -1.14 0.16 0.00 0.00 175.35 175.86 2klg s GLN 49 N 1.56 1.99 0.36 4.03 0.74 -1.26 -4.43 119.66 122.64 2klg s GLN 49 Ca 0.04 -0.69 0.19 0.00 0.05 0.00 0.00 55.36 54.95 2klg s GLN 49 Cb -0.17 -2.28 0.26 0.00 1.10 0.00 0.00 33.01 31.92 2klg s GLN 49 CO 0.04 -1.27 1.55 -0.07 -0.55 0.00 0.00 175.29 174.99 2klg h LEU 50 N -0.48 0.00 0.05 3.68 3.38 -1.91 -3.28 115.31 116.75 2klg h LEU 50 Ca -0.41 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.29 2klg h LEU 50 Cb 1.29 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.05 2klg h LEU 50 CO 0.50 0.29 -1.18 -0.33 0.09 0.00 0.00 178.44 177.80 2klg h GLU 51 N 0.00 0.34 -6.06 1.13 5.08 -1.94 -3.19 114.58 109.94 2klg h GLU 51 Ca -0.00 -0.51 -0.72 0.00 -1.00 0.00 0.00 59.36 57.13 2klg h GLU 51 Cb 1.18 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 2klg h GLU 51 CO 0.04 1.21 1.17 -0.25 -1.00 0.00 0.00 179.01 180.18 2klg n ASP 52 N -3.61 2.07 -2.24 1.42 8.00 -1.24 -4.75 116.55 116.20 2klg n ASP 52 Ca -0.09 0.76 -0.06 0.00 0.71 0.00 0.00 54.79 56.11 2klg n ASP 52 Cb 0.98 -1.15 -0.08 0.00 -0.02 0.00 0.00 41.12 40.84 2klg n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2klg n GLY 53 N 5.60 1.99 3.80 0.44 0.00 -1.26 -4.48 105.19 111.28 2klg n GLY 53 Ca 0.36 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 2klg n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2klg s ARG 54 N 1.97 2.77 -0.06 1.61 6.06 -1.26 -4.91 118.95 125.13 2klg s ARG 54 Ca 0.33 -1.19 -0.06 0.00 -2.50 0.00 0.00 55.73 52.31 2klg s ARG 54 Cb 0.16 -2.47 -0.04 0.00 0.06 0.00 0.00 34.95 32.65 2klg s ARG 54 CO 0.00 0.30 0.19 -0.08 -2.50 0.00 0.00 175.30 173.21 2klg s THR 55 N -2.22 5.43 0.25 4.11 -1.32 -1.26 -1.86 115.64 118.77 2klg s THR 55 Ca 0.35 0.11 -0.03 0.00 -1.21 0.00 0.00 61.69 60.90 2klg s THR 55 Cb -0.07 -3.49 0.22 0.00 -1.51 0.00 0.00 72.50 67.65 2klg s THR 55 CO 0.25 0.48 1.74 0.17 -2.21 0.00 0.00 174.62 175.05 2klg h LEU 56 N 4.41 0.38 -1.89 9.08 -0.00 -1.87 -0.40 115.31 125.02 2klg h LEU 56 Ca -0.52 0.10 0.03 0.00 -0.00 0.00 0.00 57.88 57.49 2klg h LEU 56 Cb 1.21 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.91 2klg h LEU 56 CO 0.63 0.16 0.15 -1.28 -0.00 0.00 0.00 178.44 178.10 2klg h SER 57 N 0.52 0.13 -0.94 0.17 0.87 -1.93 -1.36 113.55 111.00 2klg h SER 57 Ca 0.42 -0.00 0.08 0.00 -1.23 0.00 0.00 61.79 61.06 2klg h SER 57 Cb 0.62 -0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.48 2klg h SER 57 CO -0.38 0.09 0.61 0.44 -0.53 0.00 0.00 176.83 177.06 2klg h ASP 58 N 0.15 0.93 -0.62 6.23 5.19 -1.47 -1.28 116.42 125.55 2klg h ASP 58 Ca 0.09 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 2klg h ASP 58 Cb 0.19 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.52 2klg h ASP 58 CO -0.01 0.57 0.00 -1.22 -3.12 0.00 0.00 179.24 175.46 2klg n TYR 59 N -4.51 1.82 -1.25 4.55 4.02 -0.88 -4.92 117.16 115.98 2klg n TYR 59 Ca 0.15 -0.67 -0.09 0.00 -0.01 0.00 0.00 57.90 57.29 2klg n TYR 59 Cb 0.23 -0.39 -0.04 0.00 -0.02 0.00 0.00 39.34 39.13 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 0.88 -5.04 -3.51 7.72 5.15 -0.48 -4.89 115.26 115.09 2klg n ASN 60 Ca 0.27 0.22 -0.40 0.00 -0.60 0.00 0.00 54.58 54.06 2klg n ASN 60 Cb 1.06 -3.31 -0.00 0.00 -0.53 0.00 0.00 39.78 36.99 2klg n ASN 60 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 2klg n ILE 61 N -2.42 5.15 -2.09 -1.44 -5.35 -0.57 -4.90 119.36 107.75 2klg n ILE 61 Ca -0.09 -4.31 0.00 0.00 -0.27 0.00 0.00 62.75 58.08 2klg n ILE 61 Cb 0.45 -2.11 0.00 0.00 -1.74 0.00 0.00 39.64 36.24 2klg n ILE 61 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2klg n GLN 62 N 1.94 3.04 -1.32 6.28 10.64 -1.26 -4.54 117.38 132.16 2klg n GLN 62 Ca 0.61 0.00 -0.44 0.00 -1.83 0.00 0.00 57.00 55.34 2klg n GLN 62 Cb 0.26 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.62 2klg n GLN 62 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 2klg n LYS 63 N -0.01 0.00 -2.10 2.61 2.85 -1.26 -0.61 118.16 119.63 2klg n LYS 63 Ca 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.11 2klg n LYS 63 Cb 0.00 -0.99 -0.03 0.00 -0.65 0.00 0.00 35.03 33.36 2klg n LYS 63 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2klg n GLU 64 N 1.22 -1.81 -1.61 -1.58 0.28 0.28 -4.96 120.64 112.47 2klg n GLU 64 Ca 0.13 0.79 -0.29 0.00 -0.16 0.00 0.00 57.16 57.63 2klg n GLU 64 Cb 0.35 -5.30 0.16 0.00 1.43 0.00 0.00 31.44 28.08 2klg n GLU 64 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2klg s SER 65 N -2.12 3.10 -0.93 -1.84 1.04 0.22 -4.92 113.70 108.25 2klg s SER 65 Ca 0.00 0.70 -0.05 0.00 0.48 0.00 0.00 55.95 57.09 2klg s SER 65 Cb 0.00 -1.07 0.23 0.00 0.10 0.00 0.00 66.02 65.28 2klg s SER 65 CO 0.00 -2.78 0.84 -0.89 0.98 0.00 0.00 173.24 171.39 2klg s THR 66 N -3.43 4.85 -0.45 2.02 2.01 -1.26 -4.23 115.64 115.15 2klg s THR 66 Ca 0.67 -3.57 -0.16 0.00 0.31 0.00 0.00 61.69 58.94 2klg s THR 66 Cb -0.11 -3.98 0.05 0.00 0.01 0.00 0.00 72.50 68.47 2klg s THR 66 CO 0.53 -1.09 0.40 -0.22 -0.69 0.00 0.00 174.62 173.55 2klg s LEU 67 N -1.12 5.27 -0.43 4.42 2.96 -1.25 -4.91 118.68 123.63 2klg s LEU 67 Ca 0.27 -1.04 -0.09 0.00 -0.22 0.00 0.00 54.13 53.05 2klg s LEU 67 Cb -0.09 -2.24 0.09 0.00 0.50 0.00 0.00 46.19 44.44 2klg s LEU 67 CO -0.10 -0.60 0.27 -2.28 -1.32 0.00 0.00 176.35 172.32 2klg s HIS 68 N 1.84 3.37 0.51 5.38 2.46 -1.26 -3.81 115.29 123.78 2klg s HIS 68 Ca 0.07 -1.64 0.02 0.00 0.47 0.00 0.00 55.06 53.97 2klg s HIS 68 Cb -0.21 -3.06 0.02 0.00 -0.13 0.00 0.00 32.58 29.20 2klg s HIS 68 CO 0.09 -0.88 0.73 -0.51 -2.47 0.00 0.00 174.74 171.70 2klg s LEU 69 N 1.40 3.41 0.49 8.88 1.43 -1.26 -1.39 118.68 131.64 2klg s LEU 69 Ca 0.04 0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.25 2klg s LEU 69 Cb -0.24 -2.93 0.03 0.00 0.03 0.00 0.00 46.19 43.09 2klg s LEU 69 CO 0.01 -0.99 0.55 0.68 0.23 0.00 0.00 176.35 176.84 2klg s VAL 70 N -2.67 2.37 0.45 -1.59 -7.23 -1.20 -4.87 120.40 105.65 2klg s VAL 70 Ca 0.55 -1.19 -0.21 0.00 -1.81 0.00 0.00 61.98 59.31 2klg s VAL 70 Cb -0.10 -2.56 -0.10 0.00 0.56 0.00 0.00 36.38 34.18 2klg s VAL 70 CO 0.38 0.00 0.99 -0.76 -0.31 0.00 0.00 175.10 175.40 2klg s LEU 71 N -4.37 3.92 -0.06 1.32 1.02 -1.26 -4.47 118.68 114.78 2klg s LEU 71 Ca 0.51 1.80 0.07 0.00 0.02 0.00 0.00 54.13 56.53 2klg s LEU 71 Cb -0.05 -4.52 -0.24 0.00 0.02 0.00 0.00 46.19 41.40 2klg s LEU 71 CO 0.31 -0.52 0.60 0.08 0.02 0.00 0.00 176.35 176.84 2klg h ARG 72 N 1.84 0.08 0.00 1.70 -0.00 -1.88 -3.40 114.38 112.71 2klg h ARG 72 Ca -0.49 -0.13 -0.00 0.00 -0.00 0.00 0.00 59.98 59.36 2klg h ARG 72 Cb 1.20 0.05 -0.00 0.00 -0.00 0.00 0.00 29.97 31.22 2klg h ARG 72 CO 0.60 0.70 -0.02 -0.07 -0.00 0.00 0.00 179.97 181.19 2klg h LEU 73 N 0.02 0.00 -9.75 0.08 3.38 -1.94 -3.46 115.31 103.64 2klg h LEU 73 Ca -0.32 -0.63 -0.57 0.00 0.09 0.00 0.00 57.88 56.45 2klg h LEU 73 Cb 2.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.72 2klg h LEU 73 CO 0.08 0.83 -0.07 -0.60 0.09 0.00 0.00 178.44 178.77 2klg s ARG 74 N -1.98 4.09 0.00 1.13 6.06 -1.26 -4.88 118.95 122.10 2klg s ARG 74 Ca -0.12 0.61 0.00 0.00 -2.50 0.00 0.00 55.73 53.72 2klg s ARG 74 Cb -0.02 -3.12 0.00 0.00 0.06 0.00 0.00 34.95 31.88 2klg s ARG 74 CO 0.44 0.58 0.00 0.41 -2.50 0.00 0.00 175.30 174.23 2klg n GLY 75 N 1.37 -0.48 3.43 8.12 0.00 -1.26 -4.38 105.19 111.99 2klg n GLY 75 Ca -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2klg n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93