#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ken n GLU 2 N 0.00 0.45 -1.21 0.03 4.71 -1.26 -4.97 120.64 118.39 2ken n GLU 2 Ca 0.00 0.20 -0.30 0.00 -0.01 0.00 0.00 57.16 57.05 2ken n GLU 2 Cb 0.00 -1.99 0.23 0.00 -1.01 0.00 0.00 31.44 28.66 2ken n GLU 2 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2ken s PRO 3 N -2.91 -0.82 -0.18 3.49 0.04 -1.26 -4.96 135.00 128.41 2ken s PRO 3 Ca 0.70 -0.06 -0.29 0.00 0.04 0.00 0.00 61.00 61.39 2ken s PRO 3 Cb -0.36 -1.64 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 2ken s PRO 3 CO 0.54 -3.44 1.20 -0.65 0.04 0.00 0.00 177.00 174.68 2ken s GLN 4 N -5.43 4.24 -0.15 4.56 1.11 -1.26 -5.00 119.66 117.73 2ken s GLN 4 Ca 0.71 1.58 -0.20 0.00 0.01 0.00 0.00 55.36 57.45 2ken s GLN 4 Cb -0.10 -3.72 -0.03 0.00 -1.01 0.00 0.00 33.01 28.15 2ken s GLN 4 CO 0.56 -0.68 0.58 -0.51 0.01 0.00 0.00 175.29 175.25 2ken s LEU 5 N 3.37 4.21 0.01 2.90 2.01 -1.25 -2.45 118.68 127.48 2ken s LEU 5 Ca 0.52 0.86 0.08 0.00 0.01 0.00 0.00 54.13 55.60 2ken s LEU 5 Cb -0.20 -2.84 -0.02 0.00 0.01 0.00 0.00 46.19 43.14 2ken s LEU 5 CO 0.12 -0.16 -0.24 -0.89 1.01 0.00 0.00 176.35 176.20 2ken s THR 6 N 1.33 1.89 0.11 5.49 2.01 -1.03 -4.96 115.64 120.47 2ken s THR 6 Ca 0.29 -1.14 -0.06 0.00 0.31 0.00 0.00 61.69 61.09 2ken s THR 6 Cb -0.16 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 2ken s THR 6 CO 0.11 0.42 0.35 -0.54 -0.69 0.00 0.00 174.62 174.27 2ken s LYS 7 N -0.86 3.62 0.19 4.92 1.02 -1.26 -4.77 119.74 122.60 2ken s LYS 7 Ca 0.09 -0.07 -0.12 0.00 0.02 0.00 0.00 55.97 55.89 2ken s LYS 7 Cb -0.09 -2.92 0.10 0.00 -0.52 0.00 0.00 37.83 34.40 2ken s LYS 7 CO 0.00 0.52 1.84 0.82 -0.92 0.00 0.00 175.35 177.62 2ken h ILE 8 N 2.34 1.17 0.00 2.17 2.04 -1.99 0.32 117.51 123.56 2ken h ILE 8 Ca -0.47 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.04 2ken h ILE 8 Cb 1.17 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2ken h ILE 8 CO 0.71 0.17 0.00 1.62 0.00 0.00 0.00 178.15 180.65 2ken h VAL 9 N 0.85 0.00 -0.43 1.67 3.04 -1.95 -1.12 116.25 118.32 2ken h VAL 9 Ca 0.23 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.77 2ken h VAL 9 Cb -0.06 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 30.03 2ken h VAL 9 CO -0.05 0.00 0.00 -0.67 -1.01 0.00 0.00 177.57 175.84 2ken n ASP 10 N -2.32 2.28 -4.65 3.17 2.03 0.09 -4.86 116.55 112.30 2ken n ASP 10 Ca 0.01 -2.00 -0.40 0.00 0.52 0.00 0.00 54.79 52.92 2ken n ASP 10 Cb 0.15 -0.28 -0.06 0.00 -0.72 0.00 0.00 41.12 40.21 2ken n ASP 10 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ken s ILE 11 N -1.43 5.02 0.00 5.18 1.01 -0.43 -4.84 121.20 125.70 2ken s ILE 11 Ca 0.29 1.15 0.00 0.00 0.00 0.00 0.00 60.65 62.09 2ken s ILE 11 Cb 0.15 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.69 2ken s ILE 11 CO 0.20 0.09 0.00 1.33 0.00 0.00 0.00 174.94 176.56 2ken n VAL 12 N 4.83 0.00 -4.41 2.92 0.24 -1.26 -5.06 118.33 115.58 2ken n VAL 12 Ca -0.01 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.07 2ken n VAL 12 Cb 0.50 1.71 -0.16 0.00 -1.47 0.00 0.00 33.84 34.42 2ken n VAL 12 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2ken s GLU 13 N 0.00 1.08 0.41 7.34 2.12 -1.26 -5.15 118.70 123.24 2ken s GLU 13 Ca 0.00 -0.31 -0.04 0.00 0.36 0.00 0.00 54.97 54.98 2ken s GLU 13 Cb 0.00 -0.99 -0.04 0.00 0.26 0.00 0.00 34.13 33.36 2ken s GLU 13 CO 0.00 0.08 0.68 0.54 -0.54 0.00 0.00 175.26 176.03 2ken s ASN 14 N 0.33 6.31 -0.73 -1.70 2.20 -1.26 -4.12 114.94 115.98 2ken s ASN 14 Ca -0.06 0.76 0.00 0.00 -0.94 0.00 0.00 52.86 52.63 2ken s ASN 14 Cb -0.10 -2.17 0.00 0.00 -2.00 0.00 0.00 41.25 36.97 2ken s ASN 14 CO 0.01 -0.43 0.00 0.61 -2.94 0.00 0.00 177.10 174.35 2ken n GLY 15 N -1.89 0.86 3.90 0.45 0.00 0.15 -4.96 105.19 103.70 2ken n GLY 15 Ca -0.01 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 2ken n GLY 15 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ken s GLN 16 N -2.71 3.51 -0.13 1.61 0.74 -1.26 -4.84 119.66 116.59 2ken s GLN 16 Ca 0.00 -0.23 -0.11 0.00 0.05 0.00 0.00 55.36 55.07 2ken s GLN 16 Cb 0.00 -3.04 -0.05 0.00 1.10 0.00 0.00 33.01 31.02 2ken s GLN 16 CO 0.00 0.62 0.22 -1.58 -0.55 0.00 0.00 175.29 174.01 2ken s TRP 17 N -1.41 3.54 0.26 1.67 0.52 -1.26 -2.30 118.94 119.97 2ken s TRP 17 Ca 0.31 0.58 -0.19 0.00 0.02 0.00 0.00 56.10 56.83 2ken s TRP 17 Cb -0.13 -2.16 0.02 0.00 -1.15 0.00 0.00 33.47 30.05 2ken s TRP 17 CO 0.21 0.49 0.63 0.00 0.02 0.00 0.00 176.95 178.30 2ken s ALA 18 N -0.33 -0.95 -0.02 0.98 0.00 -1.01 -5.03 121.76 115.41 2ken s ALA 18 Ca 0.15 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 51.72 2ken s ALA 18 Cb -0.13 0.91 0.00 0.00 0.00 0.00 0.00 23.12 23.90 2ken s ALA 18 CO 0.04 -0.96 -0.09 -0.80 0.00 0.00 0.00 175.76 173.96 2ken s ASN 19 N -2.93 1.17 0.39 0.00 0.02 -1.02 -2.73 114.94 109.83 2ken s ASN 19 Ca 0.13 -0.18 -0.15 0.00 -1.02 0.00 0.00 52.86 51.64 2ken s ASN 19 Cb -0.04 -0.27 0.05 0.00 0.02 0.00 0.00 41.25 41.02 2ken s ASN 19 CO 0.06 0.08 0.78 -1.48 0.02 0.00 0.00 177.10 176.56 2ken s LEU 20 N 0.08 0.03 0.07 0.60 -0.00 -1.07 -2.47 118.68 115.92 2ken s LEU 20 Ca -0.01 -1.16 0.06 0.00 -0.00 0.00 0.00 54.13 53.02 2ken s LEU 20 Cb -0.07 2.82 -0.03 0.00 -0.00 0.00 0.00 46.19 48.91 2ken s LEU 20 CO 0.00 -1.68 -0.17 -1.59 -0.00 0.00 0.00 176.35 172.91 2ken s LYS 21 N -2.32 0.99 0.09 1.48 -2.85 -1.26 -1.14 119.74 114.72 2ken s LYS 21 Ca 0.16 -0.96 -0.19 0.00 -1.00 0.00 0.00 55.97 53.98 2ken s LYS 21 Cb -0.05 -1.08 0.04 0.00 -2.06 0.00 0.00 37.83 34.69 2ken s LYS 21 CO 0.12 0.25 0.45 0.00 0.10 0.00 0.00 175.35 176.27 2ken s ALA 22 N -1.09 -1.10 0.23 0.59 0.00 -1.03 -4.92 121.76 114.45 2ken s ALA 22 Ca 0.02 0.23 -0.05 0.00 0.00 0.00 0.00 51.96 52.16 2ken s ALA 22 Cb -0.09 0.55 -0.06 0.00 0.00 0.00 0.00 23.12 23.52 2ken s ALA 22 CO 0.02 -0.57 0.49 0.21 0.00 0.00 0.00 175.76 175.91 2ken s LYS 23 N -3.15 3.66 -0.60 0.00 2.20 -0.98 -2.40 119.74 118.47 2ken s LYS 23 Ca -0.01 0.01 -0.19 0.00 -0.36 0.00 0.00 55.97 55.42 2ken s LYS 23 Cb 0.00 -2.71 0.11 0.00 -1.51 0.00 0.00 37.83 33.72 2ken s LYS 23 CO -0.07 0.32 0.70 0.08 -0.36 0.00 0.00 175.35 176.02 2ken s VAL 24 N -1.90 4.85 0.11 4.02 1.01 -1.10 0.46 120.40 127.85 2ken s VAL 24 Ca 0.43 -1.06 0.19 0.00 0.00 0.00 0.00 61.98 61.55 2ken s VAL 24 Cb -0.11 -4.49 0.14 0.00 0.00 0.00 0.00 36.38 31.92 2ken s VAL 24 CO 0.27 -1.12 1.70 0.40 0.00 0.00 0.00 175.10 176.35 2ken h ILE 25 N 5.90 0.81 -2.19 2.22 1.08 -1.86 -1.75 117.51 121.72 2ken h ILE 25 Ca -0.28 -1.56 0.09 0.00 -0.39 0.00 0.00 64.86 62.72 2ken h ILE 25 Cb 1.09 1.98 -0.16 0.00 -3.07 0.00 0.00 36.82 36.65 2ken h ILE 25 CO 1.09 0.36 0.47 -1.58 -0.69 0.00 0.00 178.15 177.80 2ken s GLN 26 N -3.51 0.82 0.12 2.37 0.74 -1.24 -4.85 119.66 114.12 2ken s GLN 26 Ca 0.01 -0.21 0.07 0.00 0.05 0.00 0.00 55.36 55.28 2ken s GLN 26 Cb 0.10 0.38 -0.04 0.00 1.10 0.00 0.00 33.01 34.56 2ken s GLN 26 CO 0.69 -0.34 -0.16 -0.48 -0.55 0.00 0.00 175.29 174.44 2ken s LEU 27 N -2.21 2.38 -0.09 3.68 2.34 -1.26 -2.56 118.68 120.96 2ken s LEU 27 Ca 0.03 -0.78 -0.04 0.00 0.06 0.00 0.00 54.13 53.41 2ken s LEU 27 Cb -0.01 -0.68 0.05 0.00 -0.56 0.00 0.00 46.19 44.99 2ken s LEU 27 CO -0.07 -0.07 0.18 0.26 -1.06 0.00 0.00 176.35 175.60 2ken s TRP 28 N -1.82 -0.23 0.33 3.48 0.52 0.28 -4.92 118.94 116.58 2ken s TRP 28 Ca 0.09 0.66 -0.29 0.00 0.02 0.00 0.00 56.10 56.58 2ken s TRP 28 Cb -0.07 -0.16 -0.10 0.00 -1.15 0.00 0.00 33.47 32.00 2ken s TRP 28 CO 0.04 -0.26 1.26 -1.83 0.02 0.00 0.00 176.95 176.18 2ken s GLU 29 N 1.98 4.38 0.37 4.98 -1.05 -1.26 -0.47 118.70 127.63 2ken s GLU 29 Ca -0.01 2.12 -0.28 0.00 -0.15 0.00 0.00 54.97 56.65 2ken s GLU 29 Cb -0.12 -3.07 -0.11 0.00 -0.44 0.00 0.00 34.13 30.39 2ken s GLU 29 CO -0.06 -0.13 1.46 0.27 0.95 0.00 0.00 175.26 177.74 2ken n ASN 30 N 0.82 3.62 -0.79 0.83 6.94 -1.12 -4.76 115.26 120.80 2ken n ASN 30 Ca 0.00 1.22 0.12 0.00 -0.02 0.00 0.00 54.58 55.91 2ken n ASN 30 Cb 0.43 -1.60 0.17 0.00 -2.36 0.00 0.00 39.78 36.41 2ken n ASN 30 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2ken n THR 31 N 0.40 0.00 -3.93 5.53 -2.24 -1.26 -4.93 114.28 107.85 2ken n THR 31 Ca 0.02 -0.41 -0.10 0.00 -2.27 0.00 0.00 64.05 61.29 2ken n THR 31 Cb 0.38 1.26 -0.10 0.00 -2.10 0.00 0.00 70.33 69.77 2ken n THR 31 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2ken s HIS 32 N -2.09 0.19 0.60 4.78 3.76 -1.26 -5.16 115.29 116.11 2ken s HIS 32 Ca 0.28 -0.44 -0.10 0.00 -0.15 0.00 0.00 55.06 54.65 2ken s HIS 32 Cb 0.20 -0.14 0.15 0.00 1.11 0.00 0.00 32.58 33.90 2ken s HIS 32 CO 0.35 -0.31 0.34 -0.85 -0.85 0.00 0.00 174.74 173.42 2ken n GLU 33 N 1.08 -2.67 0.00 1.40 0.28 -1.26 -3.50 120.64 115.98 2ken n GLU 33 Ca -0.21 -0.57 0.00 0.00 -0.16 0.00 0.00 57.16 56.23 2ken n GLU 33 Cb 0.57 -0.79 0.00 0.00 1.43 0.00 0.00 31.44 32.65 2ken n GLU 33 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2ken n SER 34 N -3.60 0.00 -4.76 -1.84 3.41 -1.26 -4.84 113.62 100.72 2ken n SER 34 Ca 0.05 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.27 2ken n SER 34 Cb 0.23 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.13 2ken n SER 34 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2ken s ILE 35 N 0.00 4.79 -0.14 -1.33 1.01 -1.23 -3.43 121.20 120.88 2ken s ILE 35 Ca 0.00 1.40 -0.09 0.00 0.00 0.00 0.00 60.65 61.95 2ken s ILE 35 Cb 0.00 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 2ken s ILE 35 CO 0.00 0.42 -0.06 0.77 0.00 0.00 0.00 174.94 176.08 2ken h SER 36 N 5.43 0.00 -5.06 3.58 4.64 -0.73 -3.43 113.55 117.98 2ken h SER 36 Ca -0.45 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 60.68 2ken h SER 36 Cb 1.20 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.13 2ken h SER 36 CO 0.69 0.78 -0.26 -1.58 -0.87 0.00 0.00 176.83 175.59 2ken s GLN 37 N -2.09 0.81 0.09 4.77 0.74 -1.00 -2.81 119.66 120.17 2ken s GLN 37 Ca -0.13 -0.55 0.00 0.00 0.05 0.00 0.00 55.36 54.73 2ken s GLN 37 Cb 0.02 0.35 -0.04 0.00 1.10 0.00 0.00 33.01 34.43 2ken s GLN 37 CO 0.23 -0.26 -0.03 0.08 -0.55 0.00 0.00 175.29 174.75 2ken s VAL 38 N -2.67 0.43 -0.65 1.34 1.01 0.37 -0.86 120.40 119.38 2ken s VAL 38 Ca -0.04 -1.88 0.00 0.00 0.00 0.00 0.00 61.98 60.06 2ken s VAL 38 Cb -0.00 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.69 2ken s VAL 38 CO -0.04 -0.85 0.00 0.61 0.00 0.00 0.00 175.10 174.82 2ken n GLY 39 N 0.00 -0.75 3.38 4.51 0.00 -1.09 0.10 105.19 111.35 2ken n GLY 39 Ca -0.12 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 2ken n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ken s LEU 40 N 0.00 2.33 -0.11 0.99 1.43 -1.06 -2.51 118.68 119.76 2ken s LEU 40 Ca 0.00 -0.76 0.04 0.00 -1.03 0.00 0.00 54.13 52.38 2ken s LEU 40 Cb 0.00 -1.18 0.00 0.00 0.03 0.00 0.00 46.19 45.04 2ken s LEU 40 CO 0.00 0.16 -0.24 -0.76 0.23 0.00 0.00 176.35 175.74 2ken s LEU 41 N -2.13 2.09 -0.50 1.79 1.43 -0.17 -2.90 118.68 118.28 2ken s LEU 41 Ca 0.14 -0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 52.52 2ken s LEU 41 Cb -0.10 -1.41 0.09 0.00 0.03 0.00 0.00 46.19 44.80 2ken s LEU 41 CO 0.06 0.15 0.46 -0.83 0.23 0.00 0.00 176.35 176.42 2ken s GLY 42 N 0.42 2.01 0.31 -3.19 0.00 0.17 -2.33 107.32 104.71 2ken s GLY 42 Ca -0.17 -2.17 0.07 0.00 0.00 0.00 0.00 44.72 42.44 2ken s GLY 42 CO 0.07 1.17 0.36 -0.35 0.00 0.00 0.00 173.10 174.35 2ken s ASP 43 N 2.90 5.71 0.53 1.64 2.15 0.44 -2.32 116.67 127.72 2ken s ASP 43 Ca 0.06 -0.28 0.33 0.00 0.43 0.00 0.00 52.55 53.09 2ken s ASP 43 Cb -0.25 -1.24 1.41 0.00 -0.30 0.00 0.00 42.92 42.54 2ken s ASP 43 CO 0.06 -0.31 1.99 -0.08 -0.17 0.00 0.00 175.17 176.66 2ken h GLU 44 N 1.13 0.00 0.00 4.34 4.57 -1.91 -2.46 114.58 120.25 2ken h GLU 44 Ca -0.46 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 2ken h GLU 44 Cb 1.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2ken h GLU 44 CO 0.57 0.00 -0.67 0.25 -1.18 0.00 0.00 179.01 177.98 2ken n THR 45 N -3.00 0.04 -0.08 0.32 -2.24 -1.26 -5.05 114.28 103.01 2ken n THR 45 Ca 0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2ken n THR 45 Cb 0.28 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 2ken n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ken n GLY 46 N 1.47 -0.13 3.22 3.38 0.00 -0.93 -4.66 105.19 107.54 2ken n GLY 46 Ca 0.05 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 2ken n GLY 46 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ken s ILE 47 N -3.97 1.00 -0.06 -0.61 -4.36 -1.26 -0.42 121.20 111.52 2ken s ILE 47 Ca 0.00 -1.95 -0.31 0.00 -0.26 0.00 0.00 60.65 58.13 2ken s ILE 47 Cb 0.00 -1.71 0.08 0.00 1.25 0.00 0.00 42.46 42.07 2ken s ILE 47 CO 0.00 -0.74 0.73 -0.51 0.24 0.00 0.00 174.94 174.65 2ken s ILE 48 N -3.24 0.00 0.67 8.37 2.07 -0.98 -4.98 121.20 123.11 2ken s ILE 48 Ca 0.13 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.27 2ken s ILE 48 Cb 0.02 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.62 2ken s ILE 48 CO -0.01 0.00 1.04 -0.54 -1.91 0.00 0.00 174.94 173.52 2ken s LYS 49 N -1.25 2.95 0.04 3.50 1.02 -1.26 -1.00 119.74 123.74 2ken s LYS 49 Ca -0.09 0.37 -0.22 0.00 0.02 0.00 0.00 55.97 56.05 2ken s LYS 49 Cb -0.00 -2.09 0.05 0.00 -0.52 0.00 0.00 37.83 35.27 2ken s LYS 49 CO 0.08 -0.90 0.51 -0.59 -0.92 0.00 0.00 175.35 173.54 2ken s PHE 50 N -3.25 -0.42 -0.01 3.18 -0.71 -1.04 -2.80 117.98 112.93 2ken s PHE 50 Ca 0.57 0.47 0.00 0.00 -1.04 0.00 0.00 56.93 56.93 2ken s PHE 50 Cb -0.11 0.33 0.02 0.00 -1.21 0.00 0.00 43.02 42.05 2ken s PHE 50 CO 0.50 -0.63 0.01 -0.08 -1.34 0.00 0.00 175.22 173.68 2ken s THR 51 N -2.39 0.01 -0.18 -4.49 -1.32 -1.05 -2.66 115.64 103.55 2ken s THR 51 Ca -0.06 0.12 -0.07 0.00 -1.21 0.00 0.00 61.69 60.47 2ken s THR 51 Cb -0.01 -0.09 -0.04 0.00 -1.51 0.00 0.00 72.50 70.85 2ken s THR 51 CO -0.01 0.07 0.04 -0.63 -2.21 0.00 0.00 174.62 171.88 2ken s ILE 52 N 0.68 4.52 0.08 5.08 1.01 -0.04 -1.09 121.20 131.45 2ken s ILE 52 Ca -0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 60.65 60.41 2ken s ILE 52 Cb -0.09 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 2ken s ILE 52 CO -0.02 0.45 0.32 0.26 0.00 0.00 0.00 174.94 175.96 2ken s TRP 53 N 0.52 3.53 0.19 3.97 0.52 -1.06 -0.01 118.94 126.60 2ken s TRP 53 Ca 0.02 0.54 0.35 0.00 0.02 0.00 0.00 56.10 57.03 2ken s TRP 53 Cb -0.13 -1.98 1.62 0.00 -1.15 0.00 0.00 33.47 31.82 2ken s TRP 53 CO 0.01 0.52 2.05 -0.22 0.02 0.00 0.00 176.95 179.34 2ken h LYS 54 N 3.32 0.00 -0.30 4.98 1.63 -1.86 -2.68 116.57 121.65 2ken h LYS 54 Ca -0.47 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.31 2ken h LYS 54 Cb 1.18 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.79 2ken h LYS 54 CO 0.70 0.00 0.13 -0.91 -3.45 0.00 0.00 179.45 175.93 2ken h ASN 55 N 0.00 0.37 1.92 4.20 2.35 -1.93 -0.42 115.58 122.06 2ken h ASN 55 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2ken h ASN 55 Cb 0.34 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2ken h ASN 55 CO 0.00 0.33 -0.02 0.00 -1.65 0.00 0.00 177.43 176.10 2ken h ALA 56 N 1.73 0.99 -5.69 -0.83 0.00 -1.61 -3.44 119.26 110.41 2ken h ALA 56 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.74 2ken h ALA 56 Cb 0.07 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.00 2ken h ALA 56 CO -0.01 0.00 -0.80 0.39 0.00 0.00 0.00 179.25 178.83 2ken n GLU 57 N -2.99 -1.85 -4.20 0.00 1.02 -0.17 -4.87 120.64 107.58 2ken n GLU 57 Ca 0.04 0.81 -0.31 0.00 -0.02 0.00 0.00 57.16 57.69 2ken n GLU 57 Cb 0.52 -5.27 -0.09 0.00 -0.02 0.00 0.00 31.44 26.58 2ken n GLU 57 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2ken s LEU 58 N -5.55 3.35 0.83 -4.62 1.43 -1.26 -5.12 118.68 107.74 2ken s LEU 58 Ca 0.41 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.21 2ken s LEU 58 Cb -0.08 -2.06 0.09 0.00 0.03 0.00 0.00 46.19 44.16 2ken s LEU 58 CO 0.78 0.20 1.10 -2.16 0.23 0.00 0.00 176.35 176.49 2ken s PRO 59 N -2.11 1.82 0.38 1.29 0.04 -1.26 -4.99 135.00 130.18 2ken s PRO 59 Ca 0.23 1.13 -0.26 0.00 0.04 0.00 0.00 61.00 62.14 2ken s PRO 59 Cb -0.11 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 2ken s PRO 59 CO 0.15 -1.94 1.16 -0.51 0.04 0.00 0.00 177.00 175.90 2ken s LEU 60 N -6.10 4.24 0.31 -3.56 1.43 -1.26 -5.02 118.68 108.72 2ken s LEU 60 Ca 0.62 2.32 -0.17 0.00 -1.03 0.00 0.00 54.13 55.88 2ken s LEU 60 Cb -0.18 -3.98 -0.09 0.00 0.03 0.00 0.00 46.19 41.97 2ken s LEU 60 CO 0.57 -0.59 0.76 -0.76 0.23 0.00 0.00 176.35 176.55 2ken s LEU 61 N -2.36 4.13 -0.10 1.79 1.02 -1.26 -5.06 118.68 116.85 2ken s LEU 61 Ca 0.55 1.36 -0.14 0.00 0.02 0.00 0.00 54.13 55.93 2ken s LEU 61 Cb -0.30 -3.99 -0.05 0.00 0.02 0.00 0.00 46.19 41.87 2ken s LEU 61 CO 0.38 -0.15 0.33 -0.70 0.02 0.00 0.00 176.35 176.23 2ken s GLU 62 N -2.71 4.05 0.26 1.70 2.12 -1.26 -5.04 118.70 117.81 2ken s GLU 62 Ca 0.52 0.21 -0.30 0.00 0.36 0.00 0.00 54.97 55.77 2ken s GLU 62 Cb -0.12 -3.33 -0.09 0.00 0.26 0.00 0.00 34.13 30.85 2ken s GLU 62 CO 0.18 0.44 1.28 -1.14 -0.54 0.00 0.00 175.26 175.48 2ken s GLN 63 N -0.20 4.42 0.00 4.30 0.74 -1.26 -2.68 119.66 124.98 2ken s GLN 63 Ca 0.20 2.07 0.00 0.00 0.05 0.00 0.00 55.36 57.68 2ken s GLN 63 Cb -0.14 -3.15 0.00 0.00 1.10 0.00 0.00 33.01 30.82 2ken s GLN 63 CO 0.08 -0.16 0.00 0.41 -0.55 0.00 0.00 175.29 175.07 2ken n GLY 64 N 1.65 1.74 3.96 2.59 0.00 -0.66 -5.01 105.19 109.47 2ken n GLY 64 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 2ken n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ken s GLU 65 N -0.63 3.45 0.04 1.61 0.41 -1.09 -4.84 118.70 117.65 2ken s GLU 65 Ca 0.00 -0.65 -0.10 0.00 -0.41 0.00 0.00 54.97 53.81 2ken s GLU 65 Cb 0.00 -2.88 -0.05 0.00 -1.78 0.00 0.00 34.13 29.41 2ken s GLU 65 CO 0.00 0.42 0.36 -1.54 -0.49 0.00 0.00 175.26 174.02 2ken s SER 66 N -3.75 6.63 0.06 -0.19 1.04 -1.26 -2.70 113.70 113.54 2ken s SER 66 Ca 0.35 0.77 0.02 0.00 0.48 0.00 0.00 55.95 57.57 2ken s SER 66 Cb -0.10 -2.17 -0.03 0.00 0.10 0.00 0.00 66.02 63.82 2ken s SER 66 CO 0.30 0.23 -0.08 -0.31 0.98 0.00 0.00 173.24 174.35 2ken s TYR 67 N -1.30 0.79 -0.19 5.02 2.02 -1.01 -2.60 117.35 120.08 2ken s TYR 67 Ca 0.29 -0.60 -0.10 0.00 -0.37 0.00 0.00 57.07 56.30 2ken s TYR 67 Cb -0.14 -0.46 -0.05 0.00 -0.40 0.00 0.00 41.96 40.91 2ken s TYR 67 CO 0.16 -0.08 0.12 -1.17 -1.57 0.00 0.00 175.55 173.01 2ken s LEU 68 N -1.97 4.19 -0.39 -1.29 1.98 0.12 -2.46 118.68 118.86 2ken s LEU 68 Ca -0.04 0.24 -0.07 0.00 -2.89 0.00 0.00 54.13 51.37 2ken s LEU 68 Cb -0.06 -2.08 0.08 0.00 0.66 0.00 0.00 46.19 44.79 2ken s LEU 68 CO -0.01 0.20 0.20 -0.76 -1.89 0.00 0.00 176.35 174.09 2ken s LEU 69 N 0.24 4.93 -0.14 -0.68 1.43 -0.29 -2.62 118.68 121.55 2ken s LEU 69 Ca 0.08 -1.52 -0.04 0.00 -1.03 0.00 0.00 54.13 51.63 2ken s LEU 69 Cb -0.11 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 2ken s LEU 69 CO -0.01 -0.48 -0.01 -0.13 0.23 0.00 0.00 176.35 175.94 2ken s ARG 70 N 1.36 3.50 -0.49 1.70 0.52 -1.08 -2.58 118.95 121.87 2ken s ARG 70 Ca 0.02 -0.46 -0.03 0.00 -0.52 0.00 0.00 55.73 54.75 2ken s ARG 70 Cb -0.22 -2.92 -0.03 0.00 0.52 0.00 0.00 34.95 32.30 2ken s ARG 70 CO 0.01 0.39 0.42 0.43 0.02 0.00 0.00 175.30 176.57 2ken n SER 71 N 3.10 -4.01 -4.65 0.23 7.64 -1.26 -2.92 113.62 111.76 2ken n SER 71 Ca -0.18 -0.32 -0.23 0.00 1.01 0.00 0.00 58.87 59.15 2ken n SER 71 Cb 0.53 -2.67 -0.07 0.00 -1.01 0.00 0.00 64.21 60.99 2ken n SER 71 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2ken s VAL 72 N -3.18 3.47 0.12 0.44 -7.23 -1.11 -4.72 120.40 108.21 2ken s VAL 72 Ca 0.20 -1.90 0.08 0.00 -1.81 0.00 0.00 61.98 58.55 2ken s VAL 72 Cb -0.03 -2.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 2ken s VAL 72 CO 0.34 -0.37 -0.19 0.54 -0.31 0.00 0.00 175.10 175.10 2ken s VAL 73 N -2.32 1.71 -0.12 1.32 0.11 -1.24 -2.41 120.40 117.46 2ken s VAL 73 Ca 0.31 -1.67 -0.15 0.00 -2.93 0.00 0.00 61.98 57.55 2ken s VAL 73 Cb -0.06 -1.63 -0.05 0.00 -1.53 0.00 0.00 36.38 33.10 2ken s VAL 73 CO 0.20 -0.17 0.36 -0.69 -3.33 0.00 0.00 175.10 171.47 2ken s VAL 74 N -1.51 5.23 0.13 2.04 1.01 -0.97 -2.36 120.40 123.98 2ken s VAL 74 Ca 0.09 0.70 0.07 0.00 0.00 0.00 0.00 61.98 62.85 2ken s VAL 74 Cb -0.08 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2ken s VAL 74 CO 0.05 0.41 -0.07 -0.83 0.00 0.00 0.00 175.10 174.66 2ken s GLY 75 N 0.20 1.78 -0.75 4.51 0.00 -0.15 0.31 107.32 113.21 2ken s GLY 75 Ca 0.20 -1.29 -0.15 0.00 0.00 0.00 0.00 44.72 43.48 2ken s GLY 75 CO 0.07 -1.29 0.73 1.85 0.00 0.00 0.00 173.10 174.46 2ken s GLU 76 N -2.48 3.42 -0.25 2.90 -6.30 -1.26 -2.14 118.70 112.59 2ken s GLU 76 Ca 0.24 -2.14 -0.04 0.00 -2.50 0.00 0.00 54.97 50.52 2ken s GLU 76 Cb -0.10 -4.43 0.00 0.00 0.00 0.00 0.00 34.13 29.60 2ken s GLU 76 CO 0.15 -1.36 -0.00 -0.47 0.02 0.00 0.00 175.26 173.60 2ken s TYR 77 N 0.89 3.05 -1.19 5.30 5.04 -0.19 -4.68 117.35 125.57 2ken s TYR 77 Ca 0.15 -1.06 -0.06 0.00 -2.44 0.00 0.00 57.07 53.67 2ken s TYR 77 Cb -0.15 -2.15 -0.02 0.00 0.35 0.00 0.00 41.96 39.99 2ken s TYR 77 CO -0.05 -0.59 0.82 -1.71 -1.34 0.00 0.00 175.55 172.68 2ken n ASN 78 N 4.80 -3.43 0.00 4.32 2.85 -1.26 -0.84 115.26 121.70 2ken n ASN 78 Ca -0.17 -0.80 0.00 0.00 -0.11 0.00 0.00 54.58 53.50 2ken n ASN 78 Cb 0.49 -4.38 0.00 0.00 1.24 0.00 0.00 39.78 37.14 2ken n ASN 78 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2ken n ASP 79 N -3.04 0.00 -4.91 1.20 8.00 -1.26 -4.89 116.55 111.66 2ken n ASP 79 Ca -0.20 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.07 2ken n ASP 79 Cb 0.65 -1.83 -0.03 0.00 -0.02 0.00 0.00 41.12 39.89 2ken n ASP 79 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2ken s ARG 80 N -0.60 3.24 0.01 -1.24 1.81 -0.02 -5.11 118.95 117.05 2ken s ARG 80 Ca 0.00 -0.83 -0.03 0.00 -1.72 0.00 0.00 55.73 53.15 2ken s ARG 80 Cb 0.00 -2.79 -0.04 0.00 -0.45 0.00 0.00 34.95 31.67 2ken s ARG 80 CO 0.00 0.44 0.22 -0.06 -0.68 0.00 0.00 175.30 175.22 2ken s PHE 81 N -1.96 3.55 0.04 -0.53 0.08 -1.26 -1.02 117.98 116.87 2ken s PHE 81 Ca 0.33 0.40 -0.07 0.00 0.12 0.00 0.00 56.93 57.71 2ken s PHE 81 Cb -0.09 -1.86 -0.01 0.00 -0.57 0.00 0.00 43.02 40.49 2ken s PHE 81 CO 0.27 0.62 0.13 -0.65 -0.10 0.00 0.00 175.22 175.49 2ken s GLN 82 N -2.04 0.62 -0.29 0.44 -0.21 -0.91 -4.63 119.66 112.64 2ken s GLN 82 Ca 0.29 -0.69 -0.09 0.00 0.02 0.00 0.00 55.36 54.89 2ken s GLN 82 Cb -0.13 0.25 -0.02 0.00 1.00 0.00 0.00 33.01 34.11 2ken s GLN 82 CO 0.20 -0.17 0.14 0.14 -2.12 0.00 0.00 175.29 173.49 2ken s VAL 83 N -2.54 4.65 -0.19 1.09 -7.23 -1.12 -0.98 120.40 114.08 2ken s VAL 83 Ca -0.05 -0.28 -0.05 0.00 -1.81 0.00 0.00 61.98 59.78 2ken s VAL 83 Cb -0.01 -3.31 -0.03 0.00 0.56 0.00 0.00 36.38 33.59 2ken s VAL 83 CO -0.04 0.15 0.01 -1.10 -0.31 0.00 0.00 175.10 173.81 2ken s GLN 84 N 1.64 3.74 -0.21 4.82 -0.21 -0.99 -2.54 119.66 125.91 2ken s GLN 84 Ca 0.05 -0.47 -0.17 0.00 0.02 0.00 0.00 55.36 54.80 2ken s GLN 84 Cb -0.16 -3.09 -0.04 0.00 1.00 0.00 0.00 33.01 30.72 2ken s GLN 84 CO 0.06 0.14 0.43 0.08 -2.12 0.00 0.00 175.29 173.89 2ken s VAL 85 N 0.68 5.17 0.14 1.09 1.01 -0.25 -3.61 120.40 124.63 2ken s VAL 85 Ca 0.00 0.78 -0.02 0.00 0.00 0.00 0.00 61.98 62.74 2ken s VAL 85 Cb -0.14 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.49 2ken s VAL 85 CO 0.02 0.22 0.23 -0.46 0.00 0.00 0.00 175.10 175.11 2ken n ASN 86 N 4.63 -0.64 0.00 3.32 2.04 -1.26 -2.55 115.26 120.79 2ken n ASN 86 Ca -0.07 -1.68 0.00 0.00 -0.44 0.00 0.00 54.58 52.38 2ken n ASN 86 Cb 0.51 1.14 0.00 0.00 -2.53 0.00 0.00 39.78 38.90 2ken n ASN 86 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 2ken n LYS 87 N -0.22 0.00 -0.20 -3.83 4.76 -1.26 -2.21 118.16 115.20 2ken n LYS 87 Ca -0.01 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.40 2ken n LYS 87 Cb 0.23 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.46 2ken n LYS 87 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2ken n ASN 88 N -3.15 2.77 -4.16 4.39 3.02 -1.26 -4.02 115.26 112.85 2ken n ASN 88 Ca 0.00 -2.25 -0.34 0.00 -0.03 0.00 0.00 54.58 51.95 2ken n ASN 88 Cb 0.00 -0.55 0.12 0.00 -0.61 0.00 0.00 39.78 38.74 2ken n ASN 88 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2ken n SER 89 N 0.18 -2.60 -4.12 6.41 3.41 -0.94 -5.02 113.62 110.95 2ken n SER 89 Ca 0.09 -0.10 -0.08 0.00 -0.26 0.00 0.00 58.87 58.52 2ken n SER 89 Cb 0.63 -0.79 -0.10 0.00 -0.26 0.00 0.00 64.21 63.69 2ken n SER 89 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2ken s SER 90 N -1.55 0.52 -0.03 4.04 1.04 -1.15 -5.03 113.70 111.55 2ken s SER 90 Ca 0.49 -1.07 -0.01 0.00 0.48 0.00 0.00 55.95 55.84 2ken s SER 90 Cb -0.04 0.21 0.02 0.00 0.10 0.00 0.00 66.02 66.32 2ken s SER 90 CO 0.65 -0.62 0.05 -0.63 0.98 0.00 0.00 173.24 173.67 2ken s ILE 91 N -3.92 -0.04 -0.11 -1.02 1.01 -1.26 -2.65 121.20 113.21 2ken s ILE 91 Ca 0.13 0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.95 2ken s ILE 91 Cb 0.08 -0.10 0.01 0.00 0.01 0.00 0.00 42.46 42.46 2ken s ILE 91 CO -0.06 0.06 -0.16 -0.70 0.00 0.00 0.00 174.94 174.09 2ken s GLU 92 N 0.79 2.29 0.29 2.79 2.12 -1.08 -4.89 118.70 121.01 2ken s GLU 92 Ca -0.06 -0.59 -0.29 0.00 0.36 0.00 0.00 54.97 54.39 2ken s GLU 92 Cb -0.09 -1.95 -0.09 0.00 0.26 0.00 0.00 34.13 32.26 2ken s GLU 92 CO -0.03 -0.07 1.08 0.21 -0.54 0.00 0.00 175.26 175.91 2ken s LYS 93 N 1.01 4.63 -0.04 4.30 2.20 -1.26 0.12 119.74 130.69 2ken s LYS 93 Ca -0.06 1.74 -0.08 0.00 -0.36 0.00 0.00 55.97 57.22 2ken s LYS 93 Cb -0.15 -3.14 -0.05 0.00 -1.51 0.00 0.00 37.83 32.98 2ken s LYS 93 CO -0.02 0.22 0.23 -0.51 -0.36 0.00 0.00 175.35 174.91 2ken s LEU 94 N -1.52 4.39 0.00 5.43 2.01 -1.07 -4.91 118.68 123.01 2ken s LEU 94 Ca 0.45 0.56 0.29 0.00 0.01 0.00 0.00 54.13 55.45 2ken s LEU 94 Cb -0.30 -2.42 1.34 0.00 0.01 0.00 0.00 46.19 44.81 2ken s LEU 94 CO 0.39 0.32 1.92 -1.54 1.01 0.00 0.00 176.35 178.46 2ken n SER 95 N 1.53 0.43 -4.51 2.29 3.41 -1.26 -4.66 113.62 110.85 2ken n SER 95 Ca -0.15 -0.66 -0.34 0.00 -0.26 0.00 0.00 58.87 57.47 2ken n SER 95 Cb 0.54 -0.08 -0.12 0.00 -0.26 0.00 0.00 64.21 64.29 2ken n SER 95 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2ken s GLU 96 N -2.38 3.37 0.61 4.33 2.12 -1.26 -5.11 118.70 120.38 2ken s GLU 96 Ca 0.32 -0.54 -0.15 0.00 0.36 0.00 0.00 54.97 54.97 2ken s GLU 96 Cb 0.20 -2.79 -0.03 0.00 0.26 0.00 0.00 34.13 31.77 2ken s GLU 96 CO 0.45 0.37 1.05 -1.25 -0.54 0.00 0.00 175.26 175.34 2ken s PRO 97 N -0.00 3.27 -0.13 4.30 0.04 -1.26 -4.77 135.00 136.45 2ken s PRO 97 Ca 0.00 1.13 -0.03 0.00 0.04 0.00 0.00 61.00 62.14 2ken s PRO 97 Cb -0.13 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 2ken s PRO 97 CO 0.03 -0.84 -0.03 0.42 0.04 0.00 0.00 177.00 176.61 2ken s ILE 98 N -2.60 3.99 -0.19 0.56 1.01 -1.26 -5.08 121.20 117.63 2ken s ILE 98 Ca 0.62 -0.34 -0.21 0.00 0.00 0.00 0.00 60.65 60.72 2ken s ILE 98 Cb -0.15 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 2ken s ILE 98 CO 0.41 0.53 0.64 -0.70 0.00 0.00 0.00 174.94 175.82 2ken s GLU 99 N -0.09 4.23 0.00 2.79 2.12 -1.26 -4.89 118.70 121.60 2ken s GLU 99 Ca 0.02 0.65 0.03 0.00 0.36 0.00 0.00 54.97 56.04 2ken s GLU 99 Cb -0.13 -3.57 -0.02 0.00 0.26 0.00 0.00 34.13 30.67 2ken s GLU 99 CO 0.02 -0.22 0.25 1.33 -0.54 0.00 0.00 175.26 176.11 2ken n VAL 100 N 4.62 0.00 -3.19 3.70 0.24 -1.26 -4.74 118.33 117.69 2ken n VAL 100 Ca -0.01 -0.44 -0.40 0.00 -2.04 0.00 0.00 64.34 61.45 2ken n VAL 100 Cb 0.50 1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 33.81 2ken n VAL 100 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2ken s GLY 101 N -1.09 1.83 -0.40 7.63 0.00 -1.26 -5.03 107.32 109.00 2ken s GLY 101 Ca 0.02 -0.58 -0.15 0.00 0.00 0.00 0.00 44.72 44.01 2ken s GLY 101 CO 0.12 1.31 0.34 1.08 0.00 0.00 0.00 173.10 175.95 2ken s LEU 102 N 2.39 4.95 0.40 0.66 1.43 -1.26 -5.05 118.68 122.20 2ken s LEU 102 Ca 0.23 -0.76 -0.27 0.00 -1.03 0.00 0.00 54.13 52.30 2ken s LEU 102 Cb -0.16 -2.23 -0.10 0.00 0.03 0.00 0.00 46.19 43.73 2ken s LEU 102 CO 0.09 -0.46 1.45 -1.61 0.23 0.00 0.00 176.35 176.05 2ken s GLU 103 N 1.83 3.99 0.00 1.70 2.02 -1.26 -4.97 118.70 122.01 2ken s GLU 103 Ca 0.07 2.49 0.00 0.00 0.02 0.00 0.00 54.97 57.56 2ken s GLU 103 Cb -0.18 -2.87 0.00 0.00 0.10 0.00 0.00 34.13 31.17 2ken s GLU 103 CO 0.11 -0.60 0.23 0.72 0.02 0.00 0.00 175.26 175.75 2ken n HIS 104 N 0.27 0.00 -3.51 1.61 8.25 -1.26 -4.98 115.22 115.60 2ken n HIS 104 Ca 0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.35 2ken n HIS 104 Cb 0.40 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.47 2ken n HIS 104 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2ken s HIS 105 N -0.47 -0.48 -0.37 4.41 -3.43 -1.26 -5.02 115.29 108.67 2ken s HIS 105 Ca 0.00 0.42 0.11 0.00 -0.80 0.00 0.00 55.06 54.79 2ken s HIS 105 Cb 0.00 0.43 0.68 0.00 -1.43 0.00 0.00 32.58 32.27 2ken s HIS 105 CO 0.00 -0.74 1.56 0.72 -2.00 0.00 0.00 174.74 174.29 2ken n HIS 106 N 0.05 1.81 -0.32 0.38 -0.00 -1.26 -4.43 115.22 111.45 2ken n HIS 106 Ca -0.18 -0.67 -0.03 0.00 -0.00 0.00 0.00 57.72 56.84 2ken n HIS 106 Cb 0.62 -0.47 0.08 0.00 -0.00 0.00 0.00 29.99 30.22 2ken n HIS 106 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2ken h HIS 107 N 3.20 1.08 -2.87 4.41 2.76 -2.04 -3.40 115.15 118.30 2ken h HIS 107 Ca 0.03 0.03 -0.53 0.00 -2.20 0.00 0.00 60.37 57.70 2ken h HIS 107 Cb 1.80 -0.37 0.02 0.00 1.55 0.00 0.00 27.41 30.42 2ken h HIS 107 CO 0.95 0.68 0.84 -1.58 -1.30 0.00 0.00 177.93 177.52 2ken s HIS 108 N -6.13 2.92 -2.61 5.26 5.04 -1.26 -5.33 115.29 113.18 2ken s HIS 108 Ca -0.13 0.71 0.27 0.00 -1.54 0.00 0.00 55.06 54.37 2ken s HIS 108 Cb 0.16 -3.79 0.87 0.00 0.04 0.00 0.00 32.58 29.86 2ken s HIS 108 CO 0.80 -2.93 1.64 0.72 -2.34 0.00 0.00 174.74 172.62