#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 -1.33 -1.43 0.03 1.02 -1.26 -4.92 120.64 112.76 2ken n GLU 2 Ca 0.00 0.31 -0.31 0.00 -0.02 0.00 0.00 57.16 57.13 2ken n GLU 2 Cb 0.00 -3.69 0.07 0.00 -0.02 0.00 0.00 31.44 27.80 2ken n GLU 2 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2ken s PRO 3 N -6.63 2.53 -0.44 3.49 0.04 -1.26 -4.97 135.00 127.76 2ken s PRO 3 Ca 0.35 1.15 -0.28 0.00 0.04 0.00 0.00 61.00 62.26 2ken s PRO 3 Cb -0.15 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.48 2ken s PRO 3 CO 0.91 -1.43 1.07 -0.65 0.04 0.00 0.00 177.00 176.93 2ken s GLN 4 N -4.80 3.76 -0.05 4.56 1.11 -1.26 -5.01 119.66 117.97 2ken s GLN 4 Ca 0.61 0.58 -0.18 0.00 0.01 0.00 0.00 55.36 56.38 2ken s GLN 4 Cb -0.17 -3.87 -0.05 0.00 -1.01 0.00 0.00 33.01 27.91 2ken s GLN 4 CO 0.53 -1.23 0.49 -0.51 0.01 0.00 0.00 175.29 174.58 2ken s LEU 5 N 4.10 4.37 0.05 2.90 1.43 -1.26 -2.38 118.68 127.90 2ken s LEU 5 Ca 0.45 0.95 0.06 0.00 -1.03 0.00 0.00 54.13 54.56 2ken s LEU 5 Cb -0.09 -2.72 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 2ken s LEU 5 CO 0.27 0.13 -0.18 -0.89 0.23 0.00 0.00 176.35 175.91 2ken s THR 6 N -0.10 1.43 0.12 5.49 2.01 -0.86 -4.92 115.64 118.81 2ken s THR 6 Ca 0.26 -1.19 -0.08 0.00 0.31 0.00 0.00 61.69 60.99 2ken s THR 6 Cb -0.16 -1.28 -0.06 0.00 0.01 0.00 0.00 72.50 71.01 2ken s THR 6 CO 0.13 0.05 0.41 -0.54 -0.69 0.00 0.00 174.62 173.98 2ken s LYS 7 N -1.33 3.70 0.21 4.92 -0.14 -1.26 -4.65 119.74 121.19 2ken s LYS 7 Ca 0.04 0.08 -0.09 0.00 -1.36 0.00 0.00 55.97 54.64 2ken s LYS 7 Cb -0.09 -2.89 0.24 0.00 -1.68 0.00 0.00 37.83 33.41 2ken s LYS 7 CO 0.02 0.49 1.82 0.82 -0.76 0.00 0.00 175.35 177.75 2ken h ILE 8 N 2.43 1.01 0.00 2.17 2.04 -1.97 0.37 117.51 123.56 2ken h ILE 8 Ca -0.48 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2ken h ILE 8 Cb 1.18 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2ken h ILE 8 CO 0.69 0.14 0.00 0.55 0.00 0.00 0.00 178.15 179.53 2ken n VAL 9 N -4.73 0.91 0.05 1.67 3.14 -1.26 -0.95 118.33 117.15 2ken n VAL 9 Ca 0.09 0.23 0.10 0.00 -2.96 0.00 0.00 64.34 61.79 2ken n VAL 9 Cb 0.15 -1.09 0.21 0.00 -1.06 0.00 0.00 33.84 32.05 2ken n VAL 9 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2ken n ASP 10 N -1.31 3.28 -4.59 6.55 2.03 0.13 -4.91 116.55 117.73 2ken n ASP 10 Ca 0.04 -1.94 -0.42 0.00 0.52 0.00 0.00 54.79 52.99 2ken n ASP 10 Cb 0.07 -0.27 -0.05 0.00 -0.72 0.00 0.00 41.12 40.14 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 -1.19 4.80 0.00 5.18 1.01 -0.12 -4.78 121.20 126.10 2ken s ILE 11 Ca 0.34 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.93 2ken s ILE 11 Cb 0.19 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.52 2ken s ILE 11 CO 0.26 -0.31 0.15 1.33 0.00 0.00 0.00 174.94 176.36 2ken n VAL 12 N 5.62 0.00 -4.23 2.92 0.24 -1.26 -5.03 118.33 116.59 2ken n VAL 12 Ca 0.02 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.03 2ken n VAL 12 Cb 0.48 0.75 -0.17 0.00 -1.47 0.00 0.00 33.84 33.44 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 2.15 0.41 7.34 2.12 -1.26 -5.13 118.70 124.33 2ken s GLU 13 Ca 0.00 -0.52 -0.18 0.00 0.36 0.00 0.00 54.97 54.63 2ken s GLU 13 Cb 0.00 -1.92 -0.10 0.00 0.26 0.00 0.00 34.13 32.37 2ken s GLU 13 CO 0.00 -0.15 0.88 1.21 -0.54 0.00 0.00 175.26 176.66 2ken s ASN 14 N 1.26 6.84 -0.32 -1.70 3.04 -1.26 -3.70 114.94 119.09 2ken s ASN 14 Ca -0.01 1.53 0.00 0.00 0.04 0.00 0.00 52.86 54.42 2ken s ASN 14 Cb -0.14 -2.48 0.00 0.00 -1.54 0.00 0.00 41.25 37.10 2ken s ASN 14 CO -0.06 -0.34 0.00 0.61 -3.04 0.00 0.00 177.10 174.27 2ken n GLY 15 N -0.68 0.62 3.87 1.21 0.00 -0.18 -4.99 105.19 105.04 2ken n GLY 15 Ca 0.06 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.14 3.65 -0.19 1.61 0.74 -1.24 -4.84 119.66 117.25 2ken s GLN 16 Ca 0.00 0.04 -0.08 0.00 0.05 0.00 0.00 55.36 55.36 2ken s GLN 16 Cb 0.00 -3.07 -0.04 0.00 1.10 0.00 0.00 33.01 30.99 2ken s GLN 16 CO 0.00 0.63 0.09 -1.58 -0.55 0.00 0.00 175.29 173.88 2ken s TRP 17 N -1.29 3.32 0.21 1.67 0.52 -1.26 -1.95 118.94 120.15 2ken s TRP 17 Ca 0.28 0.18 -0.11 0.00 0.02 0.00 0.00 56.10 56.47 2ken s TRP 17 Cb -0.14 -2.10 0.04 0.00 -1.15 0.00 0.00 33.47 30.12 2ken s TRP 17 CO 0.16 0.22 0.55 0.00 0.02 0.00 0.00 176.95 177.90 2ken n ALA 18 N 3.49 -1.32 -2.45 0.98 0.00 -0.88 -4.99 120.51 115.33 2ken n ALA 18 Ca -0.16 -0.75 -0.27 0.00 0.00 0.00 0.00 53.44 52.26 2ken n ALA 18 Cb 0.52 0.55 -0.14 0.00 0.00 0.00 0.00 19.45 20.38 2ken n ALA 18 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2ken s ASN 19 N -2.39 2.78 -0.06 0.00 -0.87 -1.00 -2.56 114.94 110.85 2ken s ASN 19 Ca 0.12 -0.62 -0.03 0.00 -1.57 0.00 0.00 52.86 50.76 2ken s ASN 19 Cb -0.03 -0.21 0.03 0.00 -0.02 0.00 0.00 41.25 41.02 2ken s ASN 19 CO 0.06 0.16 0.13 -0.22 -2.57 0.00 0.00 177.10 174.66 2ken s LEU 20 N -1.53 1.03 -0.14 0.60 2.96 -1.00 -2.02 118.68 118.59 2ken s LEU 20 Ca 0.09 0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 54.24 2ken s LEU 20 Cb -0.10 0.36 -0.03 0.00 0.50 0.00 0.00 46.19 46.93 2ken s LEU 20 CO 0.03 -0.11 -0.05 -0.75 -1.32 0.00 0.00 176.35 174.15 2ken s LYS 21 N 0.76 3.53 0.14 1.98 2.20 -1.26 -1.65 119.74 125.45 2ken s LYS 21 Ca -0.06 -0.54 -0.22 0.00 -0.36 0.00 0.00 55.97 54.79 2ken s LYS 21 Cb -0.08 -2.84 0.06 0.00 -1.51 0.00 0.00 37.83 33.47 2ken s LYS 21 CO -0.04 0.29 0.57 0.00 -0.36 0.00 0.00 175.35 175.81 2ken s ALA 22 N 0.22 -1.49 0.32 3.13 0.00 -1.00 -4.95 121.76 117.99 2ken s ALA 22 Ca -0.03 0.44 -0.04 0.00 0.00 0.00 0.00 51.96 52.32 2ken s ALA 22 Cb -0.14 0.81 -0.05 0.00 0.00 0.00 0.00 23.12 23.74 2ken s ALA 22 CO 0.03 -0.73 0.58 0.21 0.00 0.00 0.00 175.76 175.86 2ken s LYS 23 N -3.62 3.60 -0.37 0.00 2.20 -1.06 -2.33 119.74 118.16 2ken s LYS 23 Ca 0.01 -0.03 -0.16 0.00 -0.36 0.00 0.00 55.97 55.42 2ken s LYS 23 Cb -0.00 -2.62 0.00 0.00 -1.51 0.00 0.00 37.83 33.70 2ken s LYS 23 CO -0.12 0.15 0.39 0.08 -0.36 0.00 0.00 175.35 175.50 2ken s VAL 24 N -2.20 5.14 -0.26 4.02 1.01 -1.12 0.94 120.40 127.93 2ken s VAL 24 Ca 0.44 -0.14 0.23 0.00 0.00 0.00 0.00 61.98 62.51 2ken s VAL 24 Cb -0.10 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 2ken s VAL 24 CO 0.33 -0.23 1.04 2.30 0.00 0.00 0.00 175.10 178.54 2ken n ILE 25 N 5.31 0.57 -3.52 2.22 -5.35 -1.19 -1.48 119.36 115.91 2ken n ILE 25 Ca -0.09 -0.52 -0.09 0.00 -0.27 0.00 0.00 62.75 61.78 2ken n ILE 25 Cb 0.48 -0.30 -0.03 0.00 -1.74 0.00 0.00 39.64 38.06 2ken n ILE 25 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2ken s GLN 26 N -3.35 0.75 0.10 6.28 0.74 -1.24 -4.90 119.66 118.03 2ken s GLN 26 Ca -0.00 -0.17 0.02 0.00 0.05 0.00 0.00 55.36 55.25 2ken s GLN 26 Cb 0.10 0.35 -0.04 0.00 1.10 0.00 0.00 33.01 34.52 2ken s GLN 26 CO 0.79 -0.31 -0.07 -0.51 -0.55 0.00 0.00 175.29 174.64 2ken s LEU 27 N -2.12 2.51 -0.12 3.68 1.43 -1.26 -2.66 118.68 120.14 2ken s LEU 27 Ca 0.03 -1.00 -0.04 0.00 -1.03 0.00 0.00 54.13 52.09 2ken s LEU 27 Cb -0.01 -0.10 0.06 0.00 0.03 0.00 0.00 46.19 46.17 2ken s LEU 27 CO -0.06 -0.45 0.20 0.86 0.23 0.00 0.00 176.35 177.13 2ken s TRP 28 N -3.58 -0.27 0.13 0.29 -0.11 0.14 -4.92 118.94 110.63 2ken s TRP 28 Ca 0.12 0.64 -0.30 0.00 1.22 0.00 0.00 56.10 57.78 2ken s TRP 28 Cb 0.05 -0.22 -0.07 0.00 -1.50 0.00 0.00 33.47 31.73 2ken s TRP 28 CO -0.04 -0.36 1.22 -1.21 -4.62 0.00 0.00 176.95 171.94 2ken s GLU 29 N 2.34 4.45 -0.13 5.86 0.41 -1.26 -1.15 118.70 129.21 2ken s GLU 29 Ca 0.03 1.86 0.03 0.00 -0.41 0.00 0.00 54.97 56.48 2ken s GLU 29 Cb -0.13 -3.28 0.01 0.00 -1.78 0.00 0.00 34.13 28.95 2ken s GLU 29 CO -0.08 -0.18 -0.22 1.21 -0.49 0.00 0.00 175.26 175.50 2ken s ASN 30 N 0.55 3.10 -0.24 -0.19 2.47 -1.05 -4.86 114.94 114.73 2ken s ASN 30 Ca 0.56 -0.60 0.14 0.00 0.42 0.00 0.00 52.86 53.38 2ken s ASN 30 Cb -0.32 -1.44 0.65 0.00 -1.45 0.00 0.00 41.25 38.69 2ken s ASN 30 CO 0.33 0.09 1.60 0.35 -3.72 0.00 0.00 177.10 175.75 2ken n THR 31 N 3.99 2.59 0.73 -5.21 -2.24 -1.26 -4.36 114.28 108.52 2ken n THR 31 Ca -0.20 -1.80 0.00 0.00 -2.27 0.00 0.00 64.05 59.78 2ken n THR 31 Cb 0.52 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 2ken n THR 31 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2ken n HIS 32 N -0.23 0.00 0.00 4.78 -0.00 -1.26 -4.82 115.22 113.69 2ken n HIS 32 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.01 2ken n HIS 32 Cb 1.10 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 31.08 2ken n HIS 32 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2ken n GLU 33 N -0.21 0.00 -0.34 1.57 1.02 -1.26 -3.69 120.64 117.72 2ken n GLU 33 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.27 2ken n GLU 33 Cb 0.04 0.00 0.34 0.00 -0.02 0.00 0.00 31.44 31.80 2ken n GLU 33 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2ken h SER 34 N 0.00 0.76 -3.17 1.62 0.02 -1.96 -3.39 113.55 107.42 2ken h SER 34 Ca 0.00 0.09 -0.67 0.00 -0.84 0.00 0.00 61.79 60.36 2ken h SER 34 Cb 0.00 -0.05 -0.13 0.00 0.14 0.00 0.00 62.40 62.36 2ken h SER 34 CO 0.00 0.28 -0.59 -0.63 -1.14 0.00 0.00 176.83 174.75 2ken s ILE 35 N -5.82 4.58 -0.14 3.27 1.01 -1.24 -4.06 121.20 118.80 2ken s ILE 35 Ca -0.11 -0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.23 2ken s ILE 35 Cb 0.25 -2.97 -0.07 0.00 0.01 0.00 0.00 42.46 39.67 2ken s ILE 35 CO 0.80 0.56 0.07 0.77 0.00 0.00 0.00 174.94 177.14 2ken h SER 36 N 4.95 0.00 -5.00 3.58 4.64 -0.77 -3.35 113.55 117.59 2ken h SER 36 Ca -0.51 -0.21 0.03 0.00 -0.47 0.00 0.00 61.79 60.63 2ken h SER 36 Cb 1.20 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.20 2ken h SER 36 CO 0.56 0.81 0.24 0.00 -0.87 0.00 0.00 176.83 177.57 2ken s GLN 37 N -2.02 1.49 0.06 4.77 -2.07 -1.13 -2.54 119.66 118.22 2ken s GLN 37 Ca -0.12 -0.70 -0.02 0.00 -1.82 0.00 0.00 55.36 52.69 2ken s GLN 37 Cb 0.01 0.59 -0.03 0.00 -1.09 0.00 0.00 33.01 32.48 2ken s GLN 37 CO 0.26 -0.67 0.01 0.14 -1.32 0.00 0.00 175.29 173.72 2ken s VAL 38 N -3.79 0.20 0.00 3.63 -7.23 -0.30 -1.69 120.40 111.22 2ken s VAL 38 Ca 0.06 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 2ken s VAL 38 Cb -0.03 -1.52 0.00 0.00 0.56 0.00 0.00 36.38 35.39 2ken s VAL 38 CO -0.03 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.46 2ken n GLY 39 N 0.07 1.10 3.24 2.32 0.00 -1.09 0.26 105.19 111.10 2ken n GLY 39 Ca -0.14 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 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 2.19 -0.13 0.99 1.02 -1.09 -2.37 118.68 119.29 2ken s LEU 40 Ca 0.00 -0.54 -0.01 0.00 0.02 0.00 0.00 54.13 53.60 2ken s LEU 40 Cb 0.00 -0.92 -0.02 0.00 0.02 0.00 0.00 46.19 45.27 2ken s LEU 40 CO 0.00 0.13 -0.10 -0.76 0.02 0.00 0.00 176.35 175.64 2ken s LEU 41 N -1.28 2.90 -0.58 1.79 1.43 0.10 -3.19 118.68 119.84 2ken s LEU 41 Ca 0.07 -0.25 -0.20 0.00 -1.03 0.00 0.00 54.13 52.72 2ken s LEU 41 Cb -0.09 -1.66 0.09 0.00 0.03 0.00 0.00 46.19 44.55 2ken s LEU 41 CO 0.02 0.18 0.74 -0.83 0.23 0.00 0.00 176.35 176.68 2ken s GLY 42 N 0.28 1.70 0.29 -3.19 0.00 0.27 -2.59 107.32 104.09 2ken s GLY 42 Ca -0.08 -2.04 0.07 0.00 0.00 0.00 0.00 44.72 42.68 2ken s GLY 42 CO 0.05 1.65 0.28 -0.35 0.00 0.00 0.00 173.10 174.72 2ken s ASP 43 N 3.42 5.54 0.47 1.64 -1.08 0.44 -2.56 116.67 124.55 2ken s ASP 43 Ca 0.14 -0.32 0.31 0.00 -0.52 0.00 0.00 52.55 52.16 2ken s ASP 43 Cb -0.22 -1.24 1.26 0.00 -1.46 0.00 0.00 42.92 41.26 2ken s ASP 43 CO 0.08 -0.22 1.91 -0.08 0.52 0.00 0.00 175.17 177.39 2ken h GLU 44 N 1.30 0.00 -0.00 4.34 4.22 -1.93 -2.33 114.58 120.19 2ken h GLU 44 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.97 2ken h GLU 44 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2ken h GLU 44 CO 0.59 0.00 -0.68 0.25 -2.18 0.00 0.00 179.01 176.99 2ken n THR 45 N -2.86 0.00 0.00 0.32 -2.24 -1.26 -5.05 114.28 103.18 2ken n THR 45 Ca 0.01 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2ken n THR 45 Cb 0.29 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 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 1.49 0.02 3.23 3.38 0.00 -0.88 -4.85 105.19 107.60 2ken n GLY 46 Ca 0.05 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 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 -4.00 1.00 -0.13 -0.61 -4.36 -1.26 -0.42 121.20 111.42 2ken s ILE 47 Ca 0.00 -2.02 -0.26 0.00 -0.26 0.00 0.00 60.65 58.11 2ken s ILE 47 Cb 0.00 -1.85 0.06 0.00 1.25 0.00 0.00 42.46 41.92 2ken s ILE 47 CO 0.00 -0.74 0.64 -0.51 0.24 0.00 0.00 174.94 174.58 2ken s ILE 48 N -3.44 0.00 0.58 8.37 2.07 -1.07 -4.96 121.20 122.76 2ken s ILE 48 Ca 0.17 -0.04 -0.06 0.00 -1.41 0.00 0.00 60.65 59.31 2ken s ILE 48 Cb 0.04 -0.94 0.00 0.00 0.13 0.00 0.00 42.46 41.69 2ken s ILE 48 CO -0.00 -0.02 0.89 -0.54 -1.91 0.00 0.00 174.94 173.36 2ken s LYS 49 N -0.54 2.98 0.08 3.50 1.02 -1.26 -0.72 119.74 124.79 2ken s LYS 49 Ca -0.06 0.01 -0.18 0.00 0.02 0.00 0.00 55.97 55.75 2ken s LYS 49 Cb -0.02 -2.28 0.04 0.00 -0.52 0.00 0.00 37.83 35.04 2ken s LYS 49 CO 0.06 -0.65 0.44 -0.59 -0.92 0.00 0.00 175.35 173.68 2ken s PHE 50 N -2.97 -0.29 -0.02 3.18 -0.71 -1.00 -2.76 117.98 113.42 2ken s PHE 50 Ca 0.53 0.16 -0.00 0.00 -1.04 0.00 0.00 56.93 56.58 2ken s PHE 50 Cb -0.11 0.27 0.03 0.00 -1.21 0.00 0.00 43.02 42.01 2ken s PHE 50 CO 0.45 -0.64 0.03 -0.08 -1.34 0.00 0.00 175.22 173.64 2ken s THR 51 N -2.99 -0.06 -0.15 -4.49 -1.32 -0.89 -2.66 115.64 103.07 2ken s THR 51 Ca -0.02 0.22 -0.05 0.00 -1.21 0.00 0.00 61.69 60.63 2ken s THR 51 Cb 0.00 -0.08 -0.03 0.00 -1.51 0.00 0.00 72.50 70.88 2ken s THR 51 CO -0.06 0.09 0.00 -0.63 -2.21 0.00 0.00 174.62 171.82 2ken s ILE 52 N 1.08 4.29 0.12 5.08 1.01 -0.68 -1.82 121.20 130.28 2ken s ILE 52 Ca -0.09 -0.22 -0.14 0.00 0.00 0.00 0.00 60.65 60.20 2ken s ILE 52 Cb -0.13 -2.89 -0.07 0.00 0.01 0.00 0.00 42.46 39.39 2ken s ILE 52 CO -0.03 0.50 0.52 0.26 0.00 0.00 0.00 174.94 176.19 2ken s TRP 53 N 0.16 3.63 0.48 3.97 0.52 -1.08 -0.19 118.94 126.43 2ken s TRP 53 Ca 0.01 1.04 0.13 0.00 0.02 0.00 0.00 56.10 57.30 2ken s TRP 53 Cb -0.13 -2.35 1.11 0.00 -1.15 0.00 0.00 33.47 30.96 2ken s TRP 53 CO 0.02 0.47 2.10 0.87 0.02 0.00 0.00 176.95 180.44 2ken h LYS 54 N 3.77 0.21 0.00 4.98 1.79 -1.81 -0.19 116.57 125.31 2ken h LYS 54 Ca -0.49 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 2ken h LYS 54 Cb 1.20 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 2ken h LYS 54 CO 0.65 0.14 0.04 0.09 -1.08 0.00 0.00 179.45 179.29 2ken n ASN 55 N -4.51 0.37 0.00 0.86 3.02 -1.26 -0.42 115.26 113.32 2ken n ASN 55 Ca 0.00 0.66 -0.09 0.00 -0.03 0.00 0.00 54.58 55.12 2ken n ASN 55 Cb 0.11 -0.70 -0.14 0.00 -0.61 0.00 0.00 39.78 38.45 2ken n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ken h ALA 56 N 1.89 0.65 -5.88 5.41 0.00 -1.35 -3.40 119.26 116.58 2ken h ALA 56 Ca 0.00 -1.32 -0.36 0.00 0.00 0.00 0.00 54.91 53.23 2ken h ALA 56 Cb 0.08 0.33 0.12 0.00 0.00 0.00 0.00 17.79 18.32 2ken h ALA 56 CO 0.00 1.49 -0.86 0.39 0.00 0.00 0.00 179.25 180.27 2ken n GLU 57 N -3.14 -3.23 -4.14 0.00 -0.58 0.44 -4.85 120.64 105.14 2ken n GLU 57 Ca -0.13 0.67 -0.26 0.00 -0.42 0.00 0.00 57.16 57.02 2ken n GLU 57 Cb 1.02 -5.16 -0.06 0.00 -0.57 0.00 0.00 31.44 26.67 2ken n GLU 57 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ken s LEU 58 N -6.19 3.58 0.74 -4.62 1.02 -1.26 -5.11 118.68 106.84 2ken s LEU 58 Ca 0.27 -0.25 -0.13 0.00 0.02 0.00 0.00 54.13 54.04 2ken s LEU 58 Cb -0.07 -2.21 0.04 0.00 0.02 0.00 0.00 46.19 43.97 2ken s LEU 58 CO 0.80 0.08 1.13 -2.16 0.02 0.00 0.00 176.35 176.22 2ken s PRO 59 N -3.03 2.28 0.39 1.29 0.04 -1.26 -4.99 135.00 129.71 2ken s PRO 59 Ca 0.29 1.45 -0.25 0.00 0.04 0.00 0.00 61.00 62.54 2ken s PRO 59 Cb -0.10 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 2ken s PRO 59 CO 0.21 -1.67 1.13 -0.51 0.04 0.00 0.00 177.00 176.21 2ken s LEU 60 N -5.40 4.20 0.37 -3.56 1.43 -1.26 -5.01 118.68 109.45 2ken s LEU 60 Ca 0.67 2.26 -0.21 0.00 -1.03 0.00 0.00 54.13 55.83 2ken s LEU 60 Cb -0.22 -4.04 -0.10 0.00 0.03 0.00 0.00 46.19 41.86 2ken s LEU 60 CO 0.48 -0.59 0.89 -0.76 0.23 0.00 0.00 176.35 176.60 2ken s LEU 61 N -2.46 4.07 -0.14 1.79 1.02 -1.26 -5.05 118.68 116.64 2ken s LEU 61 Ca 0.56 1.62 -0.07 0.00 0.02 0.00 0.00 54.13 56.26 2ken s LEU 61 Cb -0.29 -4.29 -0.04 0.00 0.02 0.00 0.00 46.19 41.60 2ken s LEU 61 CO 0.36 -0.25 0.11 -1.61 0.02 0.00 0.00 176.35 174.98 2ken s GLU 62 N -2.84 3.65 0.18 1.70 2.02 -1.26 -5.05 118.70 117.10 2ken s GLU 62 Ca 0.57 -0.22 -0.30 0.00 0.02 0.00 0.00 54.97 55.04 2ken s GLU 62 Cb -0.12 -3.20 -0.08 0.00 0.10 0.00 0.00 34.13 30.83 2ken s GLU 62 CO 0.16 0.58 1.23 -0.65 0.02 0.00 0.00 175.26 176.61 2ken s GLN 63 N -0.46 4.45 0.00 1.61 -0.21 -1.26 -2.70 119.66 121.09 2ken s GLN 63 Ca 0.11 1.93 0.00 0.00 0.02 0.00 0.00 55.36 57.42 2ken s GLN 63 Cb -0.12 -3.23 0.00 0.00 1.00 0.00 0.00 33.01 30.66 2ken s GLN 63 CO 0.02 -0.15 0.00 0.41 -2.12 0.00 0.00 175.29 173.44 2ken n GLY 64 N 2.30 2.01 3.94 3.09 0.00 -0.55 -5.01 105.19 110.97 2ken n GLY 64 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.69 3.50 0.09 1.61 8.01 -1.10 -4.85 118.70 125.26 2ken s GLU 65 Ca 0.00 -0.36 -0.16 0.00 0.01 0.00 0.00 54.97 54.46 2ken s GLU 65 Cb 0.00 -2.73 -0.07 0.00 -4.31 0.00 0.00 34.13 27.03 2ken s GLU 65 CO 0.00 0.24 0.52 0.45 0.01 0.00 0.00 175.26 176.49 2ken s SER 66 N -3.77 6.91 0.01 -0.19 0.15 -1.26 -2.78 113.70 112.77 2ken s SER 66 Ca 0.39 1.12 0.03 0.00 0.70 0.00 0.00 55.95 58.19 2ken s SER 66 Cb -0.10 -2.30 -0.01 0.00 -1.71 0.00 0.00 66.02 61.89 2ken s SER 66 CO 0.33 0.22 -0.09 -0.31 1.20 0.00 0.00 173.24 174.59 2ken s TYR 67 N -1.24 0.77 -0.13 3.44 2.02 -0.98 -2.72 117.35 118.50 2ken s TYR 67 Ca 0.31 -0.23 -0.02 0.00 -0.37 0.00 0.00 57.07 56.76 2ken s TYR 67 Cb -0.17 -0.48 -0.03 0.00 -0.40 0.00 0.00 41.96 40.88 2ken s TYR 67 CO 0.18 -0.02 -0.06 -1.17 -1.57 0.00 0.00 175.55 172.91 2ken s LEU 68 N -0.60 3.14 -0.32 -1.29 2.96 -0.67 -2.39 118.68 119.51 2ken s LEU 68 Ca 0.00 -0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 53.70 2ken s LEU 68 Cb -0.05 -1.73 0.02 0.00 0.50 0.00 0.00 46.19 44.93 2ken s LEU 68 CO 0.00 0.21 0.11 -0.76 -1.32 0.00 0.00 176.35 174.59 2ken s LEU 69 N 0.12 4.12 -0.06 -0.68 1.43 -0.66 -2.54 118.68 120.41 2ken s LEU 69 Ca -0.02 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.21 2ken s LEU 69 Cb -0.14 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 2ken s LEU 69 CO 0.03 -0.26 -0.05 -0.13 0.23 0.00 0.00 176.35 176.17 2ken s ARG 70 N 1.48 2.79 -1.07 1.70 0.52 -1.07 -2.37 118.95 120.93 2ken s ARG 70 Ca 0.01 -0.53 -0.11 0.00 -0.52 0.00 0.00 55.73 54.59 2ken s ARG 70 Cb -0.18 -2.63 -0.05 0.00 0.52 0.00 0.00 34.95 32.60 2ken s ARG 70 CO 0.03 0.67 0.88 0.45 0.02 0.00 0.00 175.30 177.35 2ken n SER 71 N 2.13 -6.27 -4.65 0.23 2.88 -1.26 -2.51 113.62 104.17 2ken n SER 71 Ca -0.18 -0.80 -0.26 0.00 -1.33 0.00 0.00 58.87 56.30 2ken n SER 71 Cb 0.53 -4.66 -0.09 0.00 -0.75 0.00 0.00 64.21 59.23 2ken n SER 71 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2ken s VAL 72 N -3.41 2.27 0.19 2.46 -7.23 -1.06 -4.21 120.40 109.41 2ken s VAL 72 Ca 0.46 -1.93 0.07 0.00 -1.81 0.00 0.00 61.98 58.77 2ken s VAL 72 Cb -0.09 -2.91 -0.05 0.00 0.56 0.00 0.00 36.38 33.89 2ken s VAL 72 CO 0.78 -0.07 -0.13 0.54 -0.31 0.00 0.00 175.10 175.91 2ken s VAL 73 N -2.62 1.55 -0.16 1.32 0.11 -1.23 -2.08 120.40 117.30 2ken s VAL 73 Ca 0.36 -2.16 -0.07 0.00 -2.93 0.00 0.00 61.98 57.18 2ken s VAL 73 Cb 0.05 -2.01 -0.04 0.00 -1.53 0.00 0.00 36.38 32.85 2ken s VAL 73 CO 0.19 -0.62 0.07 -0.69 -3.33 0.00 0.00 175.10 170.73 2ken s VAL 74 N -3.09 4.91 0.25 2.04 1.01 -0.82 -2.11 120.40 122.59 2ken s VAL 74 Ca 0.21 0.00 0.10 0.00 0.00 0.00 0.00 61.98 62.29 2ken s VAL 74 Cb 0.01 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2ken s VAL 74 CO 0.05 0.50 -0.05 -0.83 0.00 0.00 0.00 175.10 174.77 2ken s GLY 75 N -0.00 1.70 -0.75 4.51 0.00 -0.59 -1.01 107.32 111.17 2ken s GLY 75 Ca 0.07 -1.64 -0.12 0.00 0.00 0.00 0.00 44.72 43.02 2ken s GLY 75 CO 0.01 -1.70 0.67 1.85 0.00 0.00 0.00 173.10 173.92 2ken s GLU 76 N -3.47 3.33 -0.28 2.90 2.12 -1.26 -2.55 118.70 119.49 2ken s GLU 76 Ca 0.30 -2.37 -0.10 0.00 0.36 0.00 0.00 54.97 53.16 2ken s GLU 76 Cb -0.07 -4.28 -0.04 0.00 0.26 0.00 0.00 34.13 30.00 2ken s GLU 76 CO 0.18 -1.27 0.17 -0.47 -0.54 0.00 0.00 175.26 173.33 2ken s TYR 77 N 0.32 3.19 -1.48 5.30 5.04 -0.75 -4.46 117.35 124.51 2ken s TYR 77 Ca 0.16 -0.02 -0.10 0.00 -2.44 0.00 0.00 57.07 54.67 2ken s TYR 77 Cb -0.14 -2.35 0.07 0.00 0.35 0.00 0.00 41.96 39.88 2ken s TYR 77 CO -0.06 -0.22 0.87 0.09 -1.34 0.00 0.00 175.55 174.89 2ken n ASN 78 N 5.03 -3.57 0.00 4.32 5.03 -1.26 -0.38 115.26 124.44 2ken n ASN 78 Ca -0.14 -0.82 0.00 0.00 0.87 0.00 0.00 54.58 54.49 2ken n ASN 78 Cb 0.52 -3.80 0.00 0.00 -1.02 0.00 0.00 39.78 35.48 2ken n ASN 78 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2ken n ASP 79 N -2.88 0.00 -4.91 6.41 8.00 -1.26 -4.94 116.55 116.97 2ken n ASP 79 Ca -0.06 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.17 2ken n ASP 79 Cb 0.57 -0.53 -0.00 0.00 -0.02 0.00 0.00 41.12 41.13 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 0.00 3.54 -0.01 -1.24 0.52 0.49 -5.06 118.95 117.19 2ken s ARG 80 Ca 0.00 0.15 -0.19 0.00 -0.52 0.00 0.00 55.73 55.16 2ken s ARG 80 Cb 0.00 -2.41 -0.05 0.00 0.52 0.00 0.00 34.95 33.01 2ken s ARG 80 CO 0.00 -0.16 0.56 -0.06 0.02 0.00 0.00 175.30 175.65 2ken s PHE 81 N -2.69 3.68 0.03 -0.53 0.08 -1.26 -1.81 117.98 115.48 2ken s PHE 81 Ca 0.47 1.15 -0.05 0.00 0.12 0.00 0.00 56.93 58.61 2ken s PHE 81 Cb -0.10 -2.55 -0.01 0.00 -0.57 0.00 0.00 43.02 39.78 2ken s PHE 81 CO 0.44 0.39 0.08 -1.14 -0.10 0.00 0.00 175.22 174.89 2ken s GLN 82 N -0.30 0.54 -0.24 0.44 0.74 -1.06 -4.66 119.66 115.13 2ken s GLN 82 Ca 0.29 -0.70 -0.13 0.00 0.05 0.00 0.00 55.36 54.87 2ken s GLN 82 Cb -0.18 0.21 -0.04 0.00 1.10 0.00 0.00 33.01 34.10 2ken s GLN 82 CO 0.16 -0.13 0.29 0.08 -0.55 0.00 0.00 175.29 175.14 2ken s VAL 83 N -2.33 5.26 -0.20 1.34 1.01 -1.11 -1.54 120.40 122.82 2ken s VAL 83 Ca -0.07 0.44 -0.05 0.00 0.00 0.00 0.00 61.98 62.30 2ken s VAL 83 Cb -0.03 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 2ken s VAL 83 CO -0.03 0.26 -0.01 -1.10 0.00 0.00 0.00 175.10 174.22 2ken s GLN 84 N 1.46 3.59 -0.17 2.72 -0.21 -0.90 -2.10 119.66 124.06 2ken s GLN 84 Ca 0.13 -0.53 -0.07 0.00 0.02 0.00 0.00 55.36 54.90 2ken s GLN 84 Cb -0.15 -3.06 -0.04 0.00 1.00 0.00 0.00 33.01 30.76 2ken s GLN 84 CO 0.08 0.00 0.08 0.08 -2.12 0.00 0.00 175.29 173.41 2ken s VAL 85 N 1.01 4.95 0.32 1.09 1.01 -0.75 -3.46 120.40 124.56 2ken s VAL 85 Ca 0.02 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.02 2ken s VAL 85 Cb -0.14 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 2ken s VAL 85 CO 0.01 0.50 0.39 -0.46 0.00 0.00 0.00 175.10 175.54 2ken n ASN 86 N 3.15 -1.05 -4.03 3.32 0.23 -1.26 -2.64 115.26 112.98 2ken n ASN 86 Ca -0.17 -2.84 -0.36 0.00 -0.53 0.00 0.00 54.58 50.67 2ken n ASN 86 Cb 0.53 2.07 0.05 0.00 -2.08 0.00 0.00 39.78 40.34 2ken n ASN 86 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 2ken n LYS 87 N -0.55 -0.04 0.00 -3.83 4.81 -1.26 -1.07 118.16 116.22 2ken n LYS 87 Ca 0.03 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2ken n LYS 87 Cb 0.55 -1.06 0.00 0.00 0.02 0.00 0.00 35.03 34.54 2ken n LYS 87 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2ken n ASN 88 N 3.14 0.00 -4.89 3.14 4.05 -1.26 -4.94 115.26 114.50 2ken n ASN 88 Ca -0.01 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.72 2ken n ASN 88 Cb 0.59 -0.03 0.06 0.00 1.23 0.00 0.00 39.78 41.63 2ken n ASN 88 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2ken s SER 89 N -0.26 5.18 0.23 1.20 0.15 -0.23 -4.91 113.70 115.05 2ken s SER 89 Ca 0.00 1.04 -0.09 0.00 0.70 0.00 0.00 55.95 57.60 2ken s SER 89 Cb 0.00 -1.75 -0.02 0.00 -1.71 0.00 0.00 66.02 62.54 2ken s SER 89 CO 0.00 -1.50 0.37 -0.55 1.20 0.00 0.00 173.24 172.75 2ken s SER 90 N -4.41 -0.02 -0.07 5.45 0.15 -1.04 -4.96 113.70 108.80 2ken s SER 90 Ca 0.59 -1.07 -0.05 0.00 0.70 0.00 0.00 55.95 56.12 2ken s SER 90 Cb -0.11 0.52 0.03 0.00 -1.71 0.00 0.00 66.02 64.75 2ken s SER 90 CO 0.51 -1.04 0.17 -0.63 1.20 0.00 0.00 173.24 173.44 2ken s ILE 91 N -4.06 -0.02 -0.09 6.45 1.01 -1.26 -2.59 121.20 120.63 2ken s ILE 91 Ca 0.27 0.07 0.02 0.00 0.00 0.00 0.00 60.65 61.01 2ken s ILE 91 Cb 0.02 -0.25 0.01 0.00 0.01 0.00 0.00 42.46 42.25 2ken s ILE 91 CO 0.10 0.03 -0.15 -0.70 0.00 0.00 0.00 174.94 174.22 2ken s GLU 92 N 0.53 2.10 0.29 2.79 2.12 -1.05 -4.96 118.70 120.52 2ken s GLU 92 Ca -0.04 -0.53 -0.29 0.00 0.36 0.00 0.00 54.97 54.47 2ken s GLU 92 Cb -0.05 -1.74 -0.09 0.00 0.26 0.00 0.00 34.13 32.50 2ken s GLU 92 CO -0.03 -0.00 1.09 0.15 -0.54 0.00 0.00 175.26 175.93 2ken s LYS 93 N 0.80 4.59 -0.10 4.30 1.02 -1.26 -1.66 119.74 127.42 2ken s LYS 93 Ca -0.11 1.76 -0.00 0.00 0.02 0.00 0.00 55.97 57.64 2ken s LYS 93 Cb -0.16 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 34.01 2ken s LYS 93 CO 0.02 0.18 -0.08 -0.51 -0.92 0.00 0.00 175.35 174.04 2ken s LEU 94 N -1.58 3.07 0.00 3.17 2.01 -1.10 -4.94 118.68 119.31 2ken s LEU 94 Ca 0.46 -0.12 0.07 0.00 0.01 0.00 0.00 54.13 54.55 2ken s LEU 94 Cb -0.31 -1.69 0.23 0.00 0.01 0.00 0.00 46.19 44.43 2ken s LEU 94 CO 0.39 0.27 1.18 -1.20 1.01 0.00 0.00 176.35 178.00 2ken n SER 95 N 2.87 1.12 -4.02 2.29 7.64 -1.26 -4.30 113.62 117.96 2ken n SER 95 Ca -0.18 -1.98 -0.33 0.00 1.01 0.00 0.00 58.87 57.40 2ken n SER 95 Cb 0.53 -0.14 -0.13 0.00 -1.01 0.00 0.00 64.21 63.46 2ken n SER 95 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2ken s GLU 96 N -1.73 2.08 0.72 1.43 0.41 -1.26 -5.10 118.70 115.25 2ken s GLU 96 Ca 0.15 -2.42 -0.16 0.00 -0.41 0.00 0.00 54.97 52.13 2ken s GLU 96 Cb 0.08 -3.45 -0.01 0.00 -1.78 0.00 0.00 34.13 28.97 2ken s GLU 96 CO 0.10 -1.10 0.78 -2.30 -0.49 0.00 0.00 175.26 172.26 2ken n PRO 97 N 3.51 0.43 -3.94 0.39 -0.02 -1.26 -4.90 135.00 129.21 2ken n PRO 97 Ca 0.05 0.19 -0.37 0.00 -2.02 0.00 0.00 63.50 61.36 2ken n PRO 97 Cb 0.36 -2.05 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 2ken n PRO 97 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2ken s ILE 98 N -1.85 5.36 -0.09 4.25 1.01 -1.26 -5.08 121.20 123.54 2ken s ILE 98 Ca 0.70 0.15 -0.21 0.00 0.00 0.00 0.00 60.65 61.29 2ken s ILE 98 Cb -0.35 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 2ken s ILE 98 CO 0.53 0.61 0.61 -1.61 0.00 0.00 0.00 174.94 175.09 2ken s GLU 99 N -0.97 4.39 -0.00 2.79 2.02 -1.26 -4.91 118.70 120.75 2ken s GLU 99 Ca 0.15 0.71 0.11 0.00 0.02 0.00 0.00 54.97 55.95 2ken s GLU 99 Cb -0.12 -3.45 -0.13 0.00 0.10 0.00 0.00 34.13 30.53 2ken s GLU 99 CO 0.04 0.08 0.41 0.28 0.02 0.00 0.00 175.26 176.08 2ken n VAL 100 N 3.80 0.00 -0.27 2.63 0.31 -1.26 -4.70 118.33 118.84 2ken n VAL 100 Ca -0.03 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 2ken n VAL 100 Cb 0.51 0.85 0.00 0.00 -0.91 0.00 0.00 33.84 34.29 2ken n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ken n GLY 101 N 1.38 -0.07 3.56 2.92 0.00 -1.26 -4.72 105.19 107.00 2ken n GLY 101 Ca 0.01 -1.66 -0.28 0.00 0.00 0.00 0.00 46.02 44.09 2ken n GLY 101 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2ken n LEU 102 N 0.00 -2.95 0.01 0.99 7.94 -1.26 -4.85 117.00 116.87 2ken n LEU 102 Ca 0.00 -0.46 0.12 0.00 -1.11 0.00 0.00 56.01 54.56 2ken n LEU 102 Cb 0.00 -1.88 0.23 0.00 0.53 0.00 0.00 43.42 42.30 2ken n LEU 102 CO 0.00 -0.09 0.42 -0.62 -1.11 0.00 0.00 177.39 175.99 2ken n GLU 103 N -1.39 0.06 -0.14 1.96 1.02 -1.26 -4.02 120.64 116.87 2ken n GLU 103 Ca -0.17 0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 56.89 2ken n GLU 103 Cb 0.66 -1.53 -0.01 0.00 -0.02 0.00 0.00 31.44 30.54 2ken n GLU 103 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2ken h HIS 104 N 0.00 0.63 -0.78 -0.32 3.86 -2.00 -3.44 115.15 113.10 2ken h HIS 104 Ca 0.00 -0.06 -0.07 0.00 -1.16 0.00 0.00 60.37 59.08 2ken h HIS 104 Cb 0.55 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.81 2ken h HIS 104 CO 0.00 0.58 -0.07 1.58 0.86 0.00 0.00 177.93 180.89 2ken n HIS 105 N -4.61 -0.30 -1.40 2.45 -0.00 -1.26 -4.73 115.22 105.37 2ken n HIS 105 Ca -0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.31 2ken n HIS 105 Cb 0.17 -1.45 -0.02 0.00 -0.00 0.00 0.00 29.99 28.69 2ken n HIS 105 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2ken n HIS 106 N -1.09 2.66 1.06 1.57 -0.00 -1.26 -4.50 115.22 113.65 2ken n HIS 106 Ca -0.04 -2.49 0.13 0.00 0.46 0.00 0.00 57.72 55.78 2ken n HIS 106 Cb 0.21 -2.18 0.38 0.00 -0.12 0.00 0.00 29.99 28.29 2ken n HIS 106 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2ken n HIS 107 N 6.19 0.00 0.75 1.57 8.25 -1.26 -3.55 115.22 127.16 2ken n HIS 107 Ca 0.53 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 58.12 2ken n HIS 107 Cb 0.36 -0.29 0.48 0.00 1.12 0.00 0.00 29.99 31.65 2ken n HIS 107 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2ken n HIS 108 N -1.38 0.63 -0.26 4.41 8.25 -1.26 -5.33 115.22 120.27 2ken n HIS 108 Ca 0.07 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 2ken n HIS 108 Cb 0.33 -0.80 0.00 0.00 1.12 0.00 0.00 29.99 30.64 2ken n HIS 108 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70