#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 4.22 0.26 3.17 -0.21 -1.26 -3.95 119.66 121.88 2klg s GLN 2 Ca 0.00 0.17 0.02 0.00 0.02 0.00 0.00 55.36 55.57 2klg s GLN 2 Cb 0.00 -3.48 -0.04 0.00 1.00 0.00 0.00 33.01 30.49 2klg s GLN 2 CO 0.00 0.09 0.18 0.96 -2.12 0.00 0.00 175.29 174.40 2klg s ILE 3 N 0.91 0.09 -0.35 1.08 -4.36 -1.26 -2.47 121.20 114.83 2klg s ILE 3 Ca 0.18 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.60 2klg s ILE 3 Cb -0.14 -2.51 0.10 0.00 1.25 0.00 0.00 42.46 41.16 2klg s ILE 3 CO 0.06 0.00 0.07 -0.36 0.24 0.00 0.00 174.94 174.95 2klg s PHE 4 N -3.84 3.73 0.07 1.37 0.08 -1.26 -4.69 117.98 113.45 2klg s PHE 4 Ca 0.39 -2.90 0.03 0.00 0.12 0.00 0.00 56.93 54.57 2klg s PHE 4 Cb 0.05 -2.95 -0.04 0.00 -0.57 0.00 0.00 43.02 39.52 2klg s PHE 4 CO 0.18 -0.95 0.09 0.08 -0.10 0.00 0.00 175.22 174.51 2klg s VAL 5 N 0.94 4.60 -0.20 -0.44 1.01 -1.26 -4.27 120.40 120.79 2klg s VAL 5 Ca 0.10 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 2klg s VAL 5 Cb -0.20 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 2klg s VAL 5 CO -0.07 0.14 0.02 -0.54 0.00 0.00 0.00 175.10 174.65 2klg s LYS 6 N -2.36 3.72 0.00 2.72 1.02 -1.26 -4.46 119.74 119.12 2klg s LYS 6 Ca 0.29 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 55.81 2klg s LYS 6 Cb -0.12 -3.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 2klg s LYS 6 CO 0.22 0.07 0.00 0.25 -0.92 0.00 0.00 175.35 174.97 2klg n THR 7 N 4.10 0.00 -0.12 2.17 -2.24 -1.24 -4.55 114.28 112.40 2klg n THR 7 Ca -0.17 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.50 2klg n THR 7 Cb 0.52 -1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 67.68 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 0.63 -4.89 3.22 -0.00 -1.92 -3.27 115.31 109.08 2klg h LEU 8 Ca 0.00 -0.33 -0.67 0.00 -0.00 0.00 0.00 57.88 56.88 2klg h LEU 8 Cb 0.00 -0.17 -0.35 0.00 -0.00 0.00 0.00 40.66 40.14 2klg h LEU 8 CO 0.00 0.81 0.08 0.41 -0.00 0.00 0.00 178.44 179.74 2klg n THR 9 N -4.47 3.17 -4.33 0.15 -1.04 -1.26 -4.73 114.28 101.76 2klg n THR 9 Ca -0.02 -4.83 -0.38 0.00 -2.04 0.00 0.00 64.05 56.78 2klg n THR 9 Cb 0.30 -1.29 -0.05 0.00 -1.82 0.00 0.00 70.33 67.47 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 -0.45 -0.41 3.75 3.41 0.00 -1.23 -4.90 105.19 105.35 2klg n GLY 10 Ca 0.44 0.11 -0.40 0.00 0.00 0.00 0.00 46.02 46.18 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 -7.05 4.52 -0.41 1.61 2.20 -1.26 -4.87 119.74 114.48 2klg s LYS 11 Ca 0.72 1.11 -0.15 0.00 -0.36 0.00 0.00 55.97 57.29 2klg s LYS 11 Cb -0.41 -3.36 0.02 0.00 -1.51 0.00 0.00 37.83 32.57 2klg s LYS 11 CO 0.97 0.29 0.33 -0.08 -0.36 0.00 0.00 175.35 176.50 2klg s THR 12 N -0.12 5.23 0.31 3.43 -1.32 -1.26 -3.63 115.64 118.28 2klg s THR 12 Ca 0.39 -0.59 0.06 0.00 -1.21 0.00 0.00 61.69 60.34 2klg s THR 12 Cb -0.21 -3.95 -0.06 0.00 -1.51 0.00 0.00 72.50 66.77 2klg s THR 12 CO 0.24 -0.33 -0.02 0.27 -2.21 0.00 0.00 174.62 172.57 2klg s ILE 13 N 1.77 1.62 0.04 5.08 -4.36 -1.26 -5.09 121.20 119.01 2klg s ILE 13 Ca 0.06 -2.08 -0.00 0.00 -0.26 0.00 0.00 60.65 58.37 2klg s ILE 13 Cb -0.19 -2.63 -0.04 0.00 1.25 0.00 0.00 42.46 40.86 2klg s ILE 13 CO 0.11 -0.18 0.17 0.28 0.24 0.00 0.00 174.94 175.56 2klg s THR 14 N -3.01 5.19 -0.19 8.37 -1.32 -1.26 -4.36 115.64 119.06 2klg s THR 14 Ca 0.32 -0.41 -0.04 0.00 -1.21 0.00 0.00 61.69 60.35 2klg s THR 14 Cb 0.06 -3.49 0.06 0.00 -1.51 0.00 0.00 72.50 67.62 2klg s THR 14 CO 0.14 0.20 0.08 -0.22 -2.21 0.00 0.00 174.62 172.60 2klg s LEU 15 N -2.30 0.70 -0.13 9.08 0.20 -1.26 -5.04 118.68 119.93 2klg s LEU 15 Ca 0.31 -0.77 -0.07 0.00 0.69 0.00 0.00 54.13 54.30 2klg s LEU 15 Cb -0.13 -0.39 -0.04 0.00 -0.43 0.00 0.00 46.19 45.21 2klg s LEU 15 CO 0.24 -0.34 0.12 -1.83 -0.29 0.00 0.00 176.35 174.24 2klg s GLU 16 N 2.03 3.52 0.02 1.98 1.03 -1.25 -4.44 118.70 121.57 2klg s GLU 16 Ca 0.02 -0.19 -0.00 0.00 0.03 0.00 0.00 54.97 54.83 2klg s GLU 16 Cb -0.16 -3.18 -0.02 0.00 -0.80 0.00 0.00 34.13 29.97 2klg s GLU 16 CO -0.11 0.68 -0.02 0.08 -1.33 0.00 0.00 175.26 174.55 2klg s VAL 17 N -0.75 0.10 0.25 1.83 1.01 -1.26 -4.88 120.40 116.70 2klg s VAL 17 Ca 0.13 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.31 2klg s VAL 17 Cb -0.12 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 2klg s VAL 17 CO 0.03 -0.45 0.43 -1.83 0.00 0.00 0.00 175.10 173.28 2klg s GLU 18 N -1.31 3.49 0.38 2.72 -1.05 -1.26 -4.63 118.70 117.04 2klg s GLU 18 Ca -0.14 -0.45 0.12 0.00 -0.15 0.00 0.00 54.97 54.35 2klg s GLU 18 Cb -0.09 -2.80 0.91 0.00 -0.44 0.00 0.00 34.13 31.71 2klg s GLU 18 CO -0.01 0.34 1.89 -1.00 0.95 0.00 0.00 175.26 177.43 2klg h PRO 19 N 1.44 0.56 -0.03 -4.83 0.13 -2.04 0.17 132.00 127.40 2klg h PRO 19 Ca -0.49 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2klg h PRO 19 Cb 1.21 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2klg h PRO 19 CO 0.64 0.37 0.00 0.45 -0.23 0.00 0.00 178.00 179.24 2klg n SER 20 N -4.53 1.36 -4.70 1.44 2.88 -1.26 -4.89 113.62 103.92 2klg n SER 20 Ca 0.16 -1.47 -0.42 0.00 -1.33 0.00 0.00 58.87 55.81 2klg n SER 20 Cb 0.50 -0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.92 2klg n SER 20 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2klg s ASP 21 N -1.95 7.11 0.52 -3.46 1.01 0.04 -5.03 116.67 114.91 2klg s ASP 21 Ca 0.38 1.89 -0.07 0.00 0.71 0.00 0.00 52.55 55.46 2klg s ASP 21 Cb 0.21 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 2klg s ASP 21 CO 0.33 -0.49 0.86 0.42 0.21 0.00 0.00 175.17 176.50 2klg s THR 22 N 1.52 4.85 0.36 -1.27 -4.23 -1.26 -4.60 115.64 111.01 2klg s THR 22 Ca 0.57 0.40 0.05 0.00 -1.18 0.00 0.00 61.69 61.53 2klg s THR 22 Cb -0.26 -3.87 0.29 0.00 1.34 0.00 0.00 72.50 70.00 2klg s THR 22 CO 0.26 -0.94 1.97 -0.29 -0.54 0.00 0.00 174.62 175.08 2klg h ILE 23 N 0.07 1.05 -0.07 2.99 2.10 -1.48 -1.50 117.51 120.67 2klg h ILE 23 Ca -0.46 -0.27 -0.14 0.00 1.08 0.00 0.00 64.86 65.07 2klg h ILE 23 Cb 1.20 0.19 -0.01 0.00 -1.09 0.00 0.00 36.82 37.11 2klg h ILE 23 CO 0.62 0.14 -0.57 -0.08 -1.08 0.00 0.00 178.15 177.18 2klg h GLU 24 N 0.79 0.20 -0.53 2.19 4.81 -1.74 -3.17 114.58 117.13 2klg h GLU 24 Ca 0.30 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 2klg h GLU 24 Cb 0.19 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2klg h GLU 24 CO -0.10 0.71 0.23 -0.91 -0.73 0.00 0.00 179.01 178.22 2klg h ASN 25 N 0.16 0.71 0.22 1.04 -0.26 -1.65 -2.48 115.58 113.32 2klg h ASN 25 Ca -0.00 -0.15 -0.03 0.00 -0.56 0.00 0.00 56.30 55.55 2klg h ASN 25 Cb 1.04 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 38.11 2klg h ASN 25 CO 0.09 0.67 -0.16 1.62 -1.06 0.00 0.00 177.43 178.58 2klg h VAL 26 N 0.71 0.98 -0.08 2.81 3.04 -1.49 -2.28 116.25 119.94 2klg h VAL 26 Ca 0.18 -0.59 0.01 0.00 -1.01 0.00 0.00 66.70 65.29 2klg h VAL 26 Cb 0.16 1.33 -0.00 0.00 -2.01 0.00 0.00 31.29 30.77 2klg h VAL 26 CO -0.02 0.16 0.05 0.11 -1.01 0.00 0.00 177.57 176.87 2klg h LYS 27 N 0.00 0.05 0.16 4.17 1.79 -1.42 -2.69 116.57 118.63 2klg h LYS 27 Ca -0.00 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 2klg h LYS 27 Cb 0.32 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 2klg h LYS 27 CO 0.02 0.03 -0.17 0.00 -1.08 0.00 0.00 179.45 178.26 2klg h ALA 28 N 1.96 -0.32 -0.35 3.86 0.00 -1.46 0.97 119.26 123.91 2klg h ALA 28 Ca 0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2klg h ALA 28 Cb 0.07 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2klg h ALA 28 CO -0.00 -0.71 0.01 1.57 0.00 0.00 0.00 179.25 180.12 2klg h LYS 29 N -0.36 0.54 0.00 0.00 2.10 -1.64 -1.71 116.57 115.50 2klg h LYS 29 Ca 0.01 -0.11 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 2klg h LYS 29 Cb 0.34 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 2klg h LYS 29 CO -0.05 0.56 0.00 -0.89 -2.00 0.00 0.00 179.45 177.07 2klg n ILE 30 N -4.28 0.69 0.28 0.07 5.41 -0.95 -3.14 119.36 117.45 2klg n ILE 30 Ca 0.02 -0.03 0.09 0.00 1.00 0.00 0.00 62.75 63.82 2klg n ILE 30 Cb 0.24 -0.85 0.42 0.00 -0.71 0.00 0.00 39.64 38.74 2klg n ILE 30 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 2klg n GLN 31 N -2.22 0.12 -0.21 0.38 7.27 0.29 -3.12 117.38 119.90 2klg n GLN 31 Ca 0.04 0.47 0.30 0.00 0.07 0.00 0.00 57.00 57.88 2klg n GLN 31 Cb 0.33 -1.78 0.73 0.00 2.41 0.00 0.00 30.24 31.93 2klg n GLN 31 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 2klg h ASP 32 N 0.00 0.00 1.78 1.69 3.58 -1.70 0.50 116.42 122.27 2klg h ASP 32 Ca 0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2klg h ASP 32 Cb 0.18 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 2klg h ASP 32 CO 0.00 0.00 -0.19 0.07 -2.88 0.00 0.00 179.24 176.24 2klg h LYS 33 N 0.00 0.00 -2.39 0.28 2.10 -1.85 -3.48 116.57 111.23 2klg h LYS 33 Ca 0.45 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.99 2klg h LYS 33 Cb 1.83 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 33.20 2klg h LYS 33 CO -0.00 0.19 -0.19 0.39 -2.00 0.00 0.00 179.45 177.83 2klg n GLU 34 N -3.15 -2.18 -1.54 0.07 -0.58 0.17 -4.97 120.64 108.46 2klg n GLU 34 Ca 0.03 0.23 0.02 0.00 -0.42 0.00 0.00 57.16 57.02 2klg n GLU 34 Cb 0.60 -3.44 0.01 0.00 -0.57 0.00 0.00 31.44 28.05 2klg n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2klg n GLY 35 N -0.93 1.00 0.07 0.62 0.00 -1.26 -4.95 105.19 99.74 2klg n GLY 35 Ca -0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 46.02 45.26 2klg n GLY 35 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2klg h ILE 36 N 6.62 0.00 -0.88 -0.61 1.08 -1.89 -3.38 117.51 118.45 2klg h ILE 36 Ca -0.27 -0.81 0.17 0.00 -0.39 0.00 0.00 64.86 63.55 2klg h ILE 36 Cb 1.79 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 35.38 2klg h ILE 36 CO 0.05 0.00 -0.27 -0.65 -0.69 0.00 0.00 178.15 176.60 2klg h PRO 37 N -0.89 -0.02 -5.22 2.37 0.10 -1.92 -3.42 132.00 123.00 2klg h PRO 37 Ca -0.01 0.00 -0.58 0.00 0.10 0.00 0.00 66.00 65.51 2klg h PRO 37 Cb 0.06 0.00 0.10 0.00 0.10 0.00 0.00 31.00 31.26 2klg h PRO 37 CO 0.01 -0.01 -0.50 -2.30 0.10 0.00 0.00 178.00 175.30 2klg n PRO 38 N -5.54 0.00 0.00 1.05 -0.02 -1.26 -4.81 135.00 124.42 2klg n PRO 38 Ca 0.12 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.67 2klg n PRO 38 Cb 0.43 -0.87 0.33 0.00 -0.02 0.00 0.00 33.50 33.38 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 1.77 0.00 -0.00 2.55 5.75 -1.26 -2.69 116.55 122.67 2klg n ASP 39 Ca 0.15 0.15 -0.05 0.00 -0.01 0.00 0.00 54.79 55.02 2klg n ASP 39 Cb 0.23 -0.32 -0.12 0.00 -1.03 0.00 0.00 41.12 39.89 2klg n ASP 39 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 2klg h GLN 40 N 0.00 0.00 -4.11 0.11 1.08 -1.90 -3.40 115.11 106.89 2klg h GLN 40 Ca 0.00 0.00 -0.72 0.00 -1.45 0.00 0.00 58.65 56.48 2klg h GLN 40 Cb 0.14 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.49 2klg h GLN 40 CO 0.00 0.43 2.67 0.94 -0.95 0.00 0.00 178.83 181.92 2klg n GLN 41 N -3.00 3.11 -4.22 1.46 -0.06 -1.09 -4.28 117.38 109.30 2klg n GLN 41 Ca -0.14 -2.97 -0.22 0.00 -2.00 0.00 0.00 57.00 51.67 2klg n GLN 41 Cb 0.97 -3.21 -0.07 0.00 -4.06 0.00 0.00 30.24 23.88 2klg n GLN 41 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2klg n ARG 42 N 5.75 0.52 -4.07 3.69 1.74 -1.26 -4.91 116.66 118.12 2klg n ARG 42 Ca 0.48 -3.22 -0.35 0.00 -0.77 0.00 0.00 57.85 53.98 2klg n ARG 42 Cb 0.39 2.06 -0.09 0.00 -1.02 0.00 0.00 32.46 33.80 2klg n ARG 42 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2klg s LEU 43 N 0.00 3.86 -1.01 0.55 0.20 -1.26 -4.26 118.68 116.75 2klg s LEU 43 Ca 0.26 0.16 -0.01 0.00 0.69 0.00 0.00 54.13 55.23 2klg s LEU 43 Cb 0.01 -1.95 0.32 0.00 -0.43 0.00 0.00 46.19 44.14 2klg s LEU 43 CO 0.18 0.26 1.72 0.00 -0.29 0.00 0.00 176.35 178.22 2klg n ILE 44 N 2.96 5.82 -3.66 6.68 3.06 -1.20 -4.50 119.36 128.52 2klg n ILE 44 Ca -0.18 -5.96 -0.10 0.00 -2.50 0.00 0.00 62.75 54.02 2klg n ILE 44 Cb 0.53 -1.64 -0.10 0.00 0.54 0.00 0.00 39.64 38.97 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 -4.02 -0.71 -1.89 9.51 2.19 -1.26 -4.88 117.98 116.93 2klg s PHE 45 Ca 0.38 1.39 0.00 0.00 0.33 0.00 0.00 56.93 59.03 2klg s PHE 45 Cb 0.17 0.22 0.00 0.00 -1.31 0.00 0.00 43.02 42.10 2klg s PHE 45 CO -0.09 -0.45 0.00 0.00 1.83 0.00 0.00 175.22 176.51 2klg n ALA 46 N 5.38 -0.53 -4.29 11.12 0.00 -1.26 -2.59 120.51 128.33 2klg n ALA 46 Ca -0.08 0.22 -0.37 0.00 0.00 0.00 0.00 53.44 53.20 2klg n ALA 46 Cb 0.49 -2.13 -0.04 0.00 0.00 0.00 0.00 19.45 17.77 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 -0.82 -0.43 3.58 0.00 0.00 -1.26 -4.92 105.19 101.34 2klg n GLY 47 Ca -0.23 0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 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 -7.00 3.89 0.15 1.61 2.47 -1.07 -5.09 119.74 114.70 2klg s LYS 48 Ca 0.74 -0.38 -0.16 0.00 -1.56 0.00 0.00 55.97 54.61 2klg s LYS 48 Cb -0.41 -3.30 -0.07 0.00 -1.46 0.00 0.00 37.83 32.59 2klg s LYS 48 CO 0.95 0.09 0.59 -0.65 0.16 0.00 0.00 175.35 176.49 2klg s GLN 49 N 0.89 4.07 0.00 4.03 -0.21 -1.26 -4.33 119.66 122.84 2klg s GLN 49 Ca 0.04 0.61 0.30 0.00 0.02 0.00 0.00 55.36 56.33 2klg s GLN 49 Cb -0.14 -2.96 1.50 0.00 1.00 0.00 0.00 33.01 32.42 2klg s GLN 49 CO 0.03 0.48 2.03 1.28 -2.12 0.00 0.00 175.29 176.99 2klg n LEU 50 N 0.90 0.00 0.09 2.90 4.32 -1.26 -3.50 117.00 120.45 2klg n LEU 50 Ca -0.05 0.28 -0.13 0.00 -0.02 0.00 0.00 56.01 56.08 2klg n LEU 50 Cb 0.51 -0.28 -0.10 0.00 -1.62 0.00 0.00 43.42 41.94 2klg n LEU 50 CO 0.42 -0.01 0.06 -0.33 -1.22 0.00 0.00 177.39 176.32 2klg h GLU 51 N 0.00 0.25 0.00 3.23 4.39 -1.93 -3.34 114.58 117.18 2klg h GLU 51 Ca 0.00 -0.37 -0.04 0.00 0.34 0.00 0.00 59.36 59.29 2klg h GLU 51 Cb 0.27 0.13 0.03 0.00 -0.10 0.00 0.00 28.75 29.08 2klg h GLU 51 CO 0.00 1.14 -0.02 -3.47 -1.16 0.00 0.00 179.01 175.49 2klg n ASP 52 N -3.57 -1.43 -2.15 1.42 -0.08 -1.23 -4.76 116.55 104.75 2klg n ASP 52 Ca -0.06 -0.10 -0.26 0.00 -1.51 0.00 0.00 54.79 52.85 2klg n ASP 52 Cb 0.95 -0.19 0.03 0.00 2.34 0.00 0.00 41.12 44.25 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 -0.25 6.26 3.87 0.27 0.00 -1.26 -4.24 105.19 109.85 2klg n GLY 53 Ca 0.02 -2.63 -0.21 0.00 0.00 0.00 0.00 46.02 43.19 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 -3.63 2.97 0.04 1.61 1.81 -1.26 -4.87 118.95 115.61 2klg s ARG 54 Ca 0.52 -1.08 -0.02 0.00 -1.72 0.00 0.00 55.73 53.44 2klg s ARG 54 Cb 0.42 -2.61 -0.04 0.00 -0.45 0.00 0.00 34.95 32.26 2klg s ARG 54 CO -0.01 0.28 0.23 -0.08 -0.68 0.00 0.00 175.30 175.04 2klg s THR 55 N -2.17 5.37 0.19 0.02 -1.32 -1.26 -1.27 115.64 115.20 2klg s THR 55 Ca 0.37 -0.20 -0.12 0.00 -1.21 0.00 0.00 61.69 60.53 2klg s THR 55 Cb -0.08 -3.59 0.14 0.00 -1.51 0.00 0.00 72.50 67.46 2klg s THR 55 CO 0.27 0.21 1.69 -0.07 -2.21 0.00 0.00 174.62 174.51 2klg h LEU 56 N 3.39 -0.13 -1.99 9.08 4.07 -1.89 0.38 115.31 128.21 2klg h LEU 56 Ca -0.47 0.12 0.19 0.00 0.08 0.00 0.00 57.88 57.79 2klg h LEU 56 Cb 1.17 0.19 -0.03 0.00 1.08 0.00 0.00 40.66 43.08 2klg h LEU 56 CO 0.72 -0.04 0.50 -1.28 -1.08 0.00 0.00 178.44 177.26 2klg h SER 57 N 0.17 0.00 -0.99 -0.43 0.87 -1.94 -1.15 113.55 110.08 2klg h SER 57 Ca 0.27 0.00 0.14 0.00 -1.23 0.00 0.00 61.79 60.97 2klg h SER 57 Cb 0.40 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.27 2klg h SER 57 CO -0.41 0.00 0.61 -0.78 -0.53 0.00 0.00 176.83 175.72 2klg h ASP 58 N 0.00 0.86 -0.67 6.23 3.58 -1.31 -0.46 116.42 124.65 2klg h ASP 58 Ca 0.31 0.06 -0.23 0.00 0.42 0.00 0.00 57.03 57.59 2klg h ASP 58 Cb 1.30 -0.10 -0.14 0.00 1.72 0.00 0.00 39.33 42.11 2klg h ASP 58 CO -0.00 0.42 0.25 -1.22 -2.88 0.00 0.00 179.24 175.80 2klg n TYR 59 N -4.68 2.19 -1.87 0.28 4.02 -0.47 -4.92 117.16 111.72 2klg n TYR 59 Ca 0.20 -1.31 -0.17 0.00 -0.01 0.00 0.00 57.90 56.60 2klg n TYR 59 Cb 0.41 -0.66 -0.05 0.00 -0.02 0.00 0.00 39.34 39.02 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 -0.47 -4.71 -3.58 7.72 2.85 -0.18 -4.86 115.26 112.02 2klg n ASN 60 Ca 0.40 0.28 -0.41 0.00 -0.11 0.00 0.00 54.58 54.75 2klg n ASN 60 Cb 1.33 -4.13 -0.00 0.00 1.24 0.00 0.00 39.78 38.22 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 -2.78 5.01 -2.54 -1.44 0.13 -0.99 -4.94 119.36 111.81 2klg n ILE 61 Ca -0.18 -4.34 -0.05 0.00 -1.10 0.00 0.00 62.75 57.08 2klg n ILE 61 Cb 0.60 -2.15 0.02 0.00 -0.84 0.00 0.00 39.64 37.27 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 2.28 0.60 -1.38 9.51 10.64 -1.26 -4.57 117.38 133.21 2klg n GLN 62 Ca 0.57 -0.64 -0.46 0.00 -1.83 0.00 0.00 57.00 54.64 2klg n GLN 62 Cb 0.28 -0.12 -0.02 0.00 -0.86 0.00 0.00 30.24 29.52 2klg n GLN 62 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2klg n LYS 63 N -1.37 0.06 -1.56 2.61 4.81 -1.26 -0.74 118.16 120.71 2klg n LYS 63 Ca 0.04 0.02 -0.16 0.00 -0.87 0.00 0.00 58.31 57.34 2klg n LYS 63 Cb 0.13 -1.04 -0.06 0.00 0.02 0.00 0.00 35.03 34.08 2klg n LYS 63 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2klg n GLU 64 N 1.09 -1.11 -1.57 1.64 -0.00 -1.03 -4.99 120.64 114.66 2klg n GLU 64 Ca 0.15 1.02 -0.30 0.00 -0.00 0.00 0.00 57.16 58.03 2klg n GLU 64 Cb 0.30 -5.21 0.19 0.00 -0.00 0.00 0.00 31.44 26.72 2klg n GLU 64 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 2klg s SER 65 N -2.77 2.59 -0.90 -1.84 1.04 0.09 -5.00 113.70 106.92 2klg s SER 65 Ca 0.00 0.57 -0.10 0.00 0.48 0.00 0.00 55.95 56.90 2klg s SER 65 Cb 0.00 -0.83 0.23 0.00 0.10 0.00 0.00 66.02 65.52 2klg s SER 65 CO 0.00 -3.08 0.83 -0.89 0.98 0.00 0.00 173.24 171.08 2klg s THR 66 N -3.45 5.38 -0.48 2.02 2.01 -1.26 -4.64 115.64 115.22 2klg s THR 66 Ca 0.70 -2.96 -0.16 0.00 0.31 0.00 0.00 61.69 59.58 2klg s THR 66 Cb -0.09 -4.31 0.07 0.00 0.01 0.00 0.00 72.50 68.19 2klg s THR 66 CO 0.54 -1.06 0.43 -0.76 -0.69 0.00 0.00 174.62 173.08 2klg s LEU 67 N -0.45 5.49 -0.24 4.42 1.43 -1.26 -4.98 118.68 123.09 2klg s LEU 67 Ca 0.23 -1.24 -0.07 0.00 -1.03 0.00 0.00 54.13 52.02 2klg s LEU 67 Cb -0.11 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.86 2klg s LEU 67 CO -0.08 -0.68 0.05 -2.28 0.23 0.00 0.00 176.35 173.58 2klg s HIS 68 N 1.81 3.07 0.48 0.29 2.46 -1.26 -4.37 115.29 117.77 2klg s HIS 68 Ca 0.06 -0.47 0.05 0.00 0.47 0.00 0.00 55.06 55.17 2klg s HIS 68 Cb -0.23 -2.19 0.02 0.00 -0.13 0.00 0.00 32.58 30.05 2klg s HIS 68 CO 0.08 -0.34 0.67 -0.51 -2.47 0.00 0.00 174.74 172.16 2klg s LEU 69 N 1.46 3.48 0.13 8.88 2.01 -1.26 -3.22 118.68 130.15 2klg s LEU 69 Ca 0.05 -0.21 0.04 0.00 0.01 0.00 0.00 54.13 54.02 2klg s LEU 69 Cb -0.15 -2.77 -0.04 0.00 0.01 0.00 0.00 46.19 43.24 2klg s LEU 69 CO 0.02 -0.93 0.16 -0.69 1.01 0.00 0.00 176.35 175.92 2klg s VAL 70 N -2.54 4.75 -0.38 -1.59 1.01 -1.26 -4.96 120.40 115.42 2klg s VAL 70 Ca 0.56 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 2klg s VAL 70 Cb -0.10 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 32.91 2klg s VAL 70 CO 0.36 -0.02 1.28 -0.76 0.00 0.00 0.00 175.10 175.95 2klg s LEU 71 N -2.89 3.73 -1.04 3.92 1.02 -1.26 -4.86 118.68 117.30 2klg s LEU 71 Ca 0.32 0.89 -0.15 0.00 0.02 0.00 0.00 54.13 55.21 2klg s LEU 71 Cb -0.11 -3.54 0.18 0.00 0.02 0.00 0.00 46.19 42.74 2klg s LEU 71 CO 0.24 -1.22 1.17 -0.60 0.02 0.00 0.00 176.35 175.96 2klg s ARG 72 N 4.44 3.87 -0.06 1.70 3.52 -1.26 -4.81 118.95 126.35 2klg s ARG 72 Ca 0.55 -2.41 -0.23 0.00 -0.13 0.00 0.00 55.73 53.51 2klg s ARG 72 Cb -0.13 -4.82 -0.31 0.00 -1.56 0.00 0.00 34.95 28.13 2klg s ARG 72 CO 0.28 -1.60 0.88 -0.07 -0.81 0.00 0.00 175.30 173.97 2klg h LEU 73 N 9.08 0.40-10.16 -0.88 -0.00 -1.94 -3.46 115.31 108.34 2klg h LEU 73 Ca 0.21 -0.96 -0.50 0.00 -0.00 0.00 0.00 57.88 56.62 2klg h LEU 73 Cb 0.95 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.48 2klg h LEU 73 CO 1.08 1.33 -0.03 -0.13 -0.00 0.00 0.00 178.44 180.68 2klg s ARG 74 N -2.40 3.64 -0.22 1.13 1.81 -1.26 -5.04 118.95 116.62 2klg s ARG 74 Ca -0.14 0.12 -0.13 0.00 -1.72 0.00 0.00 55.73 53.86 2klg s ARG 74 Cb 0.00 -2.53 -0.18 0.00 -0.45 0.00 0.00 34.95 31.78 2klg s ARG 74 CO 0.81 0.07 0.03 0.41 -0.68 0.00 0.00 175.30 175.94 2klg n GLY 75 N -1.35 -0.61 1.22 -3.53 0.00 -1.26 -5.07 105.19 94.59 2klg n GLY 75 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2klg n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93