#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 0.79 -1.69 0.03 4.07 -1.26 -5.15 120.64 117.43 2ken n GLU 2 Ca 0.00 -1.56 -0.33 0.00 -0.06 0.00 0.00 57.16 55.22 2ken n GLU 2 Cb 0.00 -0.64 0.05 0.00 -0.06 0.00 0.00 31.44 30.79 2ken n GLU 2 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2ken s PRO 3 N 0.19 2.76 -0.36 5.31 0.04 -1.26 -4.97 135.00 136.71 2ken s PRO 3 Ca 0.21 1.32 -0.29 0.00 0.04 0.00 0.00 61.00 62.27 2ken s PRO 3 Cb 0.29 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.90 2ken s PRO 3 CO -0.09 -1.27 1.18 -1.14 0.04 0.00 0.00 177.00 175.72 2ken s GLN 4 N -4.27 3.89 -0.09 4.56 0.74 -1.26 -5.00 119.66 118.22 2ken s GLN 4 Ca 0.65 0.97 -0.17 0.00 0.05 0.00 0.00 55.36 56.86 2ken s GLN 4 Cb -0.19 -3.85 -0.05 0.00 1.10 0.00 0.00 33.01 30.03 2ken s GLN 4 CO 0.44 -1.15 0.45 -0.51 -0.55 0.00 0.00 175.29 173.98 2ken s LEU 5 N 4.22 4.32 0.03 3.68 1.43 -1.26 -2.29 118.68 128.80 2ken s LEU 5 Ca 0.50 0.84 0.07 0.00 -1.03 0.00 0.00 54.13 54.51 2ken s LEU 5 Cb -0.12 -2.66 -0.02 0.00 0.03 0.00 0.00 46.19 43.42 2ken s LEU 5 CO 0.23 0.08 -0.21 -0.89 0.23 0.00 0.00 176.35 175.79 2ken s THR 6 N 0.24 1.66 0.13 5.49 2.01 -1.10 -4.92 115.64 119.15 2ken s THR 6 Ca 0.25 -1.11 -0.08 0.00 0.31 0.00 0.00 61.69 61.06 2ken s THR 6 Cb -0.15 -1.42 -0.06 0.00 0.01 0.00 0.00 72.50 70.87 2ken s THR 6 CO 0.11 0.28 0.42 -0.54 -0.69 0.00 0.00 174.62 174.19 2ken s LYS 7 N -0.98 3.71 0.20 4.92 1.02 -1.26 -4.73 119.74 122.61 2ken s LYS 7 Ca 0.08 0.08 -0.11 0.00 0.02 0.00 0.00 55.97 56.04 2ken s LYS 7 Cb -0.09 -2.87 0.18 0.00 -0.52 0.00 0.00 37.83 34.54 2ken s LYS 7 CO 0.01 0.48 1.80 0.82 -0.92 0.00 0.00 175.35 177.54 2ken h ILE 8 N 2.36 0.98 0.00 2.17 2.04 -1.96 0.28 117.51 123.38 2ken h ILE 8 Ca -0.47 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.17 2ken h ILE 8 Cb 1.18 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2ken h ILE 8 CO 0.70 0.11 0.00 0.55 0.00 0.00 0.00 178.15 179.51 2ken n VAL 9 N -4.82 1.20 0.55 1.67 3.14 -1.26 -0.97 118.33 117.84 2ken n VAL 9 Ca 0.06 0.41 0.11 0.00 -2.96 0.00 0.00 64.34 61.97 2ken n VAL 9 Cb 0.14 -1.33 0.25 0.00 -1.06 0.00 0.00 33.84 31.84 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 -1.87 3.02 -4.65 6.55 2.03 0.96 -4.88 116.55 117.71 2ken n ASP 10 Ca 0.01 -1.93 -0.41 0.00 0.52 0.00 0.00 54.79 52.98 2ken n ASP 10 Cb 0.11 -0.21 -0.06 0.00 -0.72 0.00 0.00 41.12 40.25 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 -1.58 4.96 0.00 5.18 1.01 -0.15 -4.82 121.20 125.80 2ken s ILE 11 Ca 0.37 1.29 0.00 0.00 0.00 0.00 0.00 60.65 62.31 2ken s ILE 11 Cb 0.21 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.69 2ken s ILE 11 CO 0.30 0.04 0.21 1.33 0.00 0.00 0.00 174.94 176.82 2ken n VAL 12 N 4.98 0.00 -4.20 2.92 0.24 -1.26 -5.07 118.33 115.94 2ken n VAL 12 Ca 0.01 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.10 2ken n VAL 12 Cb 0.49 0.78 -0.16 0.00 -1.47 0.00 0.00 33.84 33.48 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 0.96 0.35 7.34 2.56 -1.26 -5.14 118.70 123.51 2ken s GLU 13 Ca 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 54.97 54.73 2ken s GLU 13 Cb 0.00 -0.94 -0.07 0.00 2.00 0.00 0.00 34.13 35.12 2ken s GLU 13 CO 0.00 -0.08 0.70 -0.80 -0.56 0.00 0.00 175.26 174.52 2ken s ASN 14 N 0.94 6.55 -0.09 -1.70 0.01 -1.26 -3.97 114.94 115.43 2ken s ASN 14 Ca -0.11 1.05 0.00 0.00 -0.71 0.00 0.00 52.86 53.09 2ken s ASN 14 Cb -0.14 -2.28 0.00 0.00 0.41 0.00 0.00 41.25 39.23 2ken s ASN 14 CO 0.00 -0.30 0.00 0.61 -1.51 0.00 0.00 177.10 175.90 2ken n GLY 15 N -0.98 0.47 3.90 0.66 0.00 0.32 -4.96 105.19 104.61 2ken n GLY 15 Ca 0.02 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.51 3.58 -0.18 1.61 0.74 -1.25 -4.83 119.66 117.82 2ken s GLN 16 Ca 0.00 -0.17 -0.08 0.00 0.05 0.00 0.00 55.36 55.16 2ken s GLN 16 Cb 0.00 -2.89 -0.04 0.00 1.10 0.00 0.00 33.01 31.18 2ken s GLN 16 CO 0.00 0.49 0.09 -1.58 -0.55 0.00 0.00 175.29 173.74 2ken s TRP 17 N -1.64 3.33 0.38 1.67 0.52 -1.26 -2.48 118.94 119.46 2ken s TRP 17 Ca 0.40 0.20 -0.16 0.00 0.02 0.00 0.00 56.10 56.56 2ken s TRP 17 Cb -0.12 -2.08 0.06 0.00 -1.15 0.00 0.00 33.47 30.18 2ken s TRP 17 CO 0.25 0.26 0.81 0.00 0.02 0.00 0.00 176.95 178.30 2ken s ALA 18 N 0.19 -0.79 -0.11 0.98 0.00 -1.05 -4.98 121.76 116.01 2ken s ALA 18 Ca 0.06 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.30 2ken s ALA 18 Cb -0.12 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.67 2ken s ALA 18 CO -0.00 -0.99 -0.19 -0.80 0.00 0.00 0.00 175.76 173.78 2ken s ASN 19 N -3.10 3.53 0.06 0.00 0.01 -0.97 -2.56 114.94 111.91 2ken s ASN 19 Ca 0.16 -0.43 0.08 0.00 -0.71 0.00 0.00 52.86 51.96 2ken s ASN 19 Cb -0.05 -1.40 -0.03 0.00 0.41 0.00 0.00 41.25 40.17 2ken s ASN 19 CO 0.11 0.18 -0.20 -0.76 -1.51 0.00 0.00 177.10 174.92 2ken s LEU 20 N 0.23 2.52 -0.03 0.60 2.01 0.00 -2.72 118.68 121.29 2ken s LEU 20 Ca -0.12 -0.51 0.01 0.00 0.01 0.00 0.00 54.13 53.52 2ken s LEU 20 Cb -0.16 -1.46 0.02 0.00 0.01 0.00 0.00 46.19 44.60 2ken s LEU 20 CO 0.07 0.24 -0.03 -0.75 1.01 0.00 0.00 176.35 176.88 2ken s LYS 21 N -1.58 0.54 0.01 1.70 2.20 -1.26 0.61 119.74 121.96 2ken s LYS 21 Ca 0.15 -0.04 -0.10 0.00 -0.36 0.00 0.00 55.97 55.61 2ken s LYS 21 Cb -0.10 -0.61 0.03 0.00 -1.51 0.00 0.00 37.83 35.64 2ken s LYS 21 CO 0.06 -0.07 0.47 0.00 -0.36 0.00 0.00 175.35 175.44 2ken n ALA 22 N 3.90 -1.29 -2.61 3.13 0.00 -1.10 -4.81 120.51 117.72 2ken n ALA 22 Ca -0.24 -0.33 -0.29 0.00 0.00 0.00 0.00 53.44 52.57 2ken n ALA 22 Cb 0.52 0.10 -0.09 0.00 0.00 0.00 0.00 19.45 19.98 2ken n ALA 22 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2ken s LYS 23 N -2.01 2.25 -0.82 0.00 2.20 -1.08 -1.80 119.74 118.49 2ken s LYS 23 Ca 0.11 -1.02 -0.22 0.00 -0.36 0.00 0.00 55.97 54.48 2ken s LYS 23 Cb -0.01 -2.35 0.08 0.00 -1.51 0.00 0.00 37.83 34.05 2ken s LYS 23 CO 0.00 0.50 1.13 0.08 -0.36 0.00 0.00 175.35 176.71 2ken s VAL 24 N -1.35 4.33 0.15 4.02 1.01 -1.13 0.69 120.40 128.13 2ken s VAL 24 Ca 0.23 -0.75 0.17 0.00 0.00 0.00 0.00 61.98 61.63 2ken s VAL 24 Cb -0.11 -4.80 0.09 0.00 0.00 0.00 0.00 36.38 31.56 2ken s VAL 24 CO 0.16 -1.60 1.67 0.40 0.00 0.00 0.00 175.10 175.73 2ken h ILE 25 N 6.07 0.99 -3.07 2.22 1.08 -1.79 -2.66 117.51 120.35 2ken h ILE 25 Ca -0.06 -1.74 -0.30 0.00 -0.39 0.00 0.00 64.86 62.37 2ken h ILE 25 Cb 1.04 2.04 -0.36 0.00 -3.07 0.00 0.00 36.82 36.47 2ken h ILE 25 CO 1.21 0.43 -0.65 -1.58 -0.69 0.00 0.00 178.15 176.88 2ken s GLN 26 N -3.52 0.03 -0.01 2.37 0.74 -1.23 -4.91 119.66 113.13 2ken s GLN 26 Ca 0.00 0.52 0.02 0.00 0.05 0.00 0.00 55.36 55.95 2ken s GLN 26 Cb 0.11 -0.38 -0.03 0.00 1.10 0.00 0.00 33.01 33.81 2ken s GLN 26 CO 0.71 -0.34 -0.03 -1.17 -0.55 0.00 0.00 175.29 173.91 2ken s LEU 27 N 2.28 3.34 -0.20 3.68 2.96 -1.26 -0.57 118.68 128.91 2ken s LEU 27 Ca 0.03 -0.05 -0.05 0.00 -0.22 0.00 0.00 54.13 53.84 2ken s LEU 27 Cb -0.12 -1.88 0.07 0.00 0.50 0.00 0.00 46.19 44.76 2ken s LEU 27 CO -0.06 0.30 0.11 0.86 -1.32 0.00 0.00 176.35 176.24 2ken s TRP 28 N -1.00 0.20 -0.21 5.38 -0.11 -0.44 -4.97 118.94 117.78 2ken s TRP 28 Ca 0.17 -0.44 -0.29 0.00 1.22 0.00 0.00 56.10 56.76 2ken s TRP 28 Cb -0.11 -0.73 -0.02 0.00 -1.50 0.00 0.00 33.47 31.11 2ken s TRP 28 CO 0.08 -0.60 1.42 -2.00 -4.62 0.00 0.00 176.95 171.22 2ken s GLU 29 N 2.14 4.00 -0.15 5.86 2.12 -1.26 -2.68 118.70 128.72 2ken s GLU 29 Ca 0.04 1.58 -0.07 0.00 0.36 0.00 0.00 54.97 56.88 2ken s GLU 29 Cb -0.16 -3.90 -0.04 0.00 0.26 0.00 0.00 34.13 30.29 2ken s GLU 29 CO -0.17 -1.02 0.08 1.21 -0.54 0.00 0.00 175.26 174.82 2ken s ASN 30 N 3.02 5.84 -0.03 -1.70 3.84 -0.98 -4.97 114.94 119.96 2ken s ASN 30 Ca 0.62 0.21 0.19 0.00 0.21 0.00 0.00 52.86 54.09 2ken s ASN 30 Cb -0.22 -1.92 0.58 0.00 -0.55 0.00 0.00 41.25 39.13 2ken s ASN 30 CO 0.23 0.27 1.49 1.07 -2.79 0.00 0.00 177.10 177.37 2ken n THR 31 N 2.90 1.21 -2.77 -5.21 5.66 -1.26 -4.56 114.28 110.24 2ken n THR 31 Ca -0.18 -1.07 -0.35 0.00 -3.05 0.00 0.00 64.05 59.41 2ken n THR 31 Cb 0.53 0.40 -0.06 0.00 -1.55 0.00 0.00 70.33 69.65 2ken n THR 31 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2ken s HIS 32 N -1.23 3.45 0.12 1.09 3.76 -1.22 -4.97 115.29 116.29 2ken s HIS 32 Ca 0.43 1.68 -0.13 0.00 -0.15 0.00 0.00 55.06 56.89 2ken s HIS 32 Cb 0.24 -2.91 -0.08 0.00 1.11 0.00 0.00 32.58 30.94 2ken s HIS 32 CO 0.27 -0.05 1.42 0.93 -0.85 0.00 0.00 174.74 176.46 2ken h GLU 33 N 2.45 0.82 0.12 1.40 5.08 -1.99 -3.25 114.58 119.21 2ken h GLU 33 Ca -0.48 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 57.41 2ken h GLU 33 Cb 1.19 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2ken h GLU 33 CO 0.63 1.10 -0.06 1.03 -1.00 0.00 0.00 179.01 180.70 2ken h SER 34 N 0.59 -0.14 -3.29 1.42 0.87 -2.00 -3.42 113.55 107.58 2ken h SER 34 Ca 0.04 -0.15 -0.65 0.00 -1.23 0.00 0.00 61.79 59.80 2ken h SER 34 Cb 0.99 0.04 -0.17 0.00 -0.44 0.00 0.00 62.40 62.81 2ken h SER 34 CO 0.09 0.07 -0.62 -0.63 -0.53 0.00 0.00 176.83 175.22 2ken s ILE 35 N -5.42 4.33 -0.26 2.23 1.01 -1.23 -4.15 121.20 117.71 2ken s ILE 35 Ca -0.14 -0.21 -0.16 0.00 0.00 0.00 0.00 60.65 60.13 2ken s ILE 35 Cb 0.04 -2.89 -0.14 0.00 0.01 0.00 0.00 42.46 39.49 2ken s ILE 35 CO 0.64 0.53 -0.23 -0.24 0.00 0.00 0.00 174.94 175.64 2ken n SER 36 N 3.01 1.94 -3.75 3.58 2.88 -0.96 -3.41 113.62 116.90 2ken n SER 36 Ca -0.18 0.36 -0.13 0.00 -1.33 0.00 0.00 58.87 57.59 2ken n SER 36 Cb 0.53 -0.85 -0.09 0.00 -0.75 0.00 0.00 64.21 63.04 2ken n SER 36 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2ken s GLN 37 N -2.48 0.60 0.02 -1.46 0.74 -1.16 -2.32 119.66 113.61 2ken s GLN 37 Ca -0.37 0.03 -0.08 0.00 0.05 0.00 0.00 55.36 55.00 2ken s GLN 37 Cb 0.13 0.27 -0.00 0.00 1.10 0.00 0.00 33.01 34.51 2ken s GLN 37 CO 0.51 -0.14 0.15 0.54 -0.55 0.00 0.00 175.29 175.80 2ken s VAL 38 N -0.85 0.10 0.00 1.34 0.11 -1.09 -0.10 120.40 119.92 2ken s VAL 38 Ca -0.09 -0.86 0.00 0.00 -2.93 0.00 0.00 61.98 58.09 2ken s VAL 38 Cb -0.04 -0.74 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 2ken s VAL 38 CO 0.03 -0.48 0.00 0.61 -3.33 0.00 0.00 175.10 171.94 2ken n GLY 39 N 0.98 1.38 3.26 6.54 0.00 -1.09 -1.33 105.19 114.93 2ken n GLY 39 Ca -0.20 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 2ken n GLY 39 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ken s LEU 40 N 0.00 2.21 -0.16 0.99 0.20 0.27 -2.73 118.68 119.45 2ken s LEU 40 Ca 0.00 -0.58 -0.02 0.00 0.69 0.00 0.00 54.13 54.22 2ken s LEU 40 Cb 0.00 -0.95 -0.02 0.00 -0.43 0.00 0.00 46.19 44.80 2ken s LEU 40 CO 0.00 0.13 -0.08 -0.76 -0.29 0.00 0.00 176.35 175.34 2ken s LEU 41 N -1.41 2.89 -0.55 -0.68 1.43 0.04 -2.24 118.68 118.15 2ken s LEU 41 Ca 0.07 -0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 52.70 2ken s LEU 41 Cb -0.09 -1.69 0.11 0.00 0.03 0.00 0.00 46.19 44.55 2ken s LEU 41 CO 0.03 0.11 0.59 -0.83 0.23 0.00 0.00 176.35 176.47 2ken s GLY 42 N 0.68 1.93 0.28 -3.19 0.00 0.22 -2.45 107.32 104.78 2ken s GLY 42 Ca -0.04 -2.31 0.06 0.00 0.00 0.00 0.00 44.72 42.43 2ken s GLY 42 CO 0.02 1.37 0.38 -0.35 0.00 0.00 0.00 173.10 174.51 2ken s ASP 43 N 3.45 6.01 0.48 1.64 2.15 0.98 -2.62 116.67 128.75 2ken s ASP 43 Ca 0.08 -0.11 0.27 0.00 0.43 0.00 0.00 52.55 53.22 2ken s ASP 43 Cb -0.26 -1.50 1.00 0.00 -0.30 0.00 0.00 42.92 41.87 2ken s ASP 43 CO 0.05 -0.22 1.85 1.05 -0.17 0.00 0.00 175.17 177.73 2ken h GLU 44 N 1.11 0.00 0.00 4.34 4.11 -1.90 -2.83 114.58 119.41 2ken h GLU 44 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2ken h GLU 44 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2ken h GLU 44 CO 0.58 0.12 -1.12 0.25 0.07 0.00 0.00 179.01 178.90 2ken n THR 45 N -3.23 0.23 -2.61 -1.06 -2.24 -1.26 -5.05 114.28 99.06 2ken n THR 45 Ca 0.01 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2ken n THR 45 Cb 0.40 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 1.32 -0.53 3.16 3.38 0.00 -1.07 -4.71 105.19 106.75 2ken n GLY 46 Ca 0.01 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.30 0.37 -0.04 -0.61 -4.36 -1.26 -0.01 121.20 111.98 2ken s ILE 47 Ca 0.00 -1.91 -0.30 0.00 -0.26 0.00 0.00 60.65 58.18 2ken s ILE 47 Cb 0.00 -1.90 0.09 0.00 1.25 0.00 0.00 42.46 41.89 2ken s ILE 47 CO 0.00 -0.64 0.76 -0.51 0.24 0.00 0.00 174.94 174.78 2ken s ILE 48 N -3.85 0.00 -0.08 8.37 2.07 -1.03 -4.98 121.20 121.70 2ken s ILE 48 Ca 0.19 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.32 2ken s ILE 48 Cb 0.07 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.61 2ken s ILE 48 CO -0.01 0.00 0.25 -0.54 -1.91 0.00 0.00 174.94 172.73 2ken s LYS 49 N -1.67 3.71 0.12 3.50 1.02 -1.26 -0.78 119.74 124.38 2ken s LYS 49 Ca -0.06 0.09 0.05 0.00 0.02 0.00 0.00 55.97 56.07 2ken s LYS 49 Cb -0.00 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 2ken s LYS 49 CO 0.04 0.69 -0.11 -0.59 -0.92 0.00 0.00 175.35 174.45 2ken s PHE 50 N -0.88 1.22 -0.04 3.18 -0.71 -1.11 -2.66 117.98 116.98 2ken s PHE 50 Ca 0.18 -0.64 0.02 0.00 -1.04 0.00 0.00 56.93 55.45 2ken s PHE 50 Cb -0.14 -0.64 0.01 0.00 -1.21 0.00 0.00 43.02 41.04 2ken s PHE 50 CO 0.07 0.07 -0.09 0.99 -1.34 0.00 0.00 175.22 174.92 2ken s THR 51 N -2.54 0.84 -0.20 -4.49 2.01 -0.96 -2.68 115.64 107.61 2ken s THR 51 Ca 0.09 -0.34 -0.12 0.00 0.31 0.00 0.00 61.69 61.63 2ken s THR 51 Cb -0.02 -0.78 -0.05 0.00 0.01 0.00 0.00 72.50 71.66 2ken s THR 51 CO 0.01 0.28 0.21 -0.63 -0.69 0.00 0.00 174.62 173.79 2ken s ILE 52 N 0.54 5.35 0.22 1.82 1.01 0.86 -2.57 121.20 128.43 2ken s ILE 52 Ca -0.09 0.33 -0.21 0.00 0.00 0.00 0.00 60.65 60.68 2ken s ILE 52 Cb -0.13 -3.54 -0.08 0.00 0.01 0.00 0.00 42.46 38.72 2ken s ILE 52 CO 0.01 0.38 0.75 0.26 0.00 0.00 0.00 174.94 176.35 2ken s TRP 53 N 0.67 3.69 0.38 3.97 0.52 -1.11 -2.26 118.94 124.80 2ken s TRP 53 Ca 0.11 1.46 0.05 0.00 0.02 0.00 0.00 56.10 57.74 2ken s TRP 53 Cb -0.13 -2.67 0.75 0.00 -1.15 0.00 0.00 33.47 30.28 2ken s TRP 53 CO 0.02 0.36 2.02 -0.22 0.02 0.00 0.00 176.95 179.15 2ken h LYS 54 N 3.55 0.70 0.00 4.98 3.64 -1.80 0.20 116.57 127.84 2ken h LYS 54 Ca -0.48 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2ken h LYS 54 Cb 1.20 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2ken h LYS 54 CO 0.65 0.46 0.02 -1.71 -2.27 0.00 0.00 179.45 176.61 2ken n ASN 55 N -4.46 0.00 0.04 4.20 2.85 -1.26 -0.28 115.26 116.34 2ken n ASN 55 Ca 0.06 0.45 -0.04 0.00 -0.11 0.00 0.00 54.58 54.94 2ken n ASN 55 Cb 0.08 -0.45 -0.10 0.00 1.24 0.00 0.00 39.78 40.55 2ken n ASN 55 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ken h ALA 56 N 1.90 0.63 -6.67 5.20 0.00 -1.24 -3.38 119.26 115.69 2ken h ALA 56 Ca 0.00 -1.02 -0.53 0.00 0.00 0.00 0.00 54.91 53.36 2ken h ALA 56 Cb 0.05 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 2ken h ALA 56 CO 0.00 1.18 -0.91 0.39 0.00 0.00 0.00 179.25 179.91 2ken n GLU 57 N -3.10 -2.62 -4.00 0.00 1.02 0.61 -4.57 120.64 107.97 2ken n GLU 57 Ca -0.08 0.31 -0.28 0.00 -0.02 0.00 0.00 57.16 57.10 2ken n GLU 57 Cb 0.92 -4.26 -0.05 0.00 -0.02 0.00 0.00 31.44 28.04 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 -7.09 4.08 0.62 -4.62 1.43 -1.26 -5.08 118.68 106.75 2ken s LEU 58 Ca 0.00 0.06 -0.18 0.00 -1.03 0.00 0.00 54.13 52.98 2ken s LEU 58 Cb -0.00 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 2ken s LEU 58 CO 0.92 0.10 1.00 -2.65 0.23 0.00 0.00 176.35 175.95 2ken n PRO 59 N -0.16 0.89 -2.26 1.29 -0.02 -1.26 -4.93 135.00 128.55 2ken n PRO 59 Ca -0.07 0.35 -0.40 0.00 -2.02 0.00 0.00 63.50 61.35 2ken n PRO 59 Cb 0.53 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 2ken n PRO 59 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2ken s LEU 60 N -2.39 4.45 0.31 2.45 1.43 -1.26 -5.00 118.68 118.68 2ken s LEU 60 Ca 0.77 2.51 -0.23 0.00 -1.03 0.00 0.00 54.13 56.14 2ken s LEU 60 Cb -0.41 -3.68 -0.10 0.00 0.03 0.00 0.00 46.19 42.04 2ken s LEU 60 CO 0.46 -0.41 0.89 -0.76 0.23 0.00 0.00 176.35 176.75 2ken s LEU 61 N -1.74 4.27 -0.16 1.79 1.02 -1.26 -5.04 118.68 117.57 2ken s LEU 61 Ca 0.48 1.70 -0.16 0.00 0.02 0.00 0.00 54.13 56.17 2ken s LEU 61 Cb -0.36 -3.99 -0.04 0.00 0.02 0.00 0.00 46.19 41.82 2ken s LEU 61 CO 0.47 -0.09 0.38 -1.61 0.02 0.00 0.00 176.35 175.52 2ken s GLU 62 N -2.23 4.27 0.23 1.70 2.02 -1.26 -5.04 118.70 118.38 2ken s GLU 62 Ca 0.50 0.24 -0.30 0.00 0.02 0.00 0.00 54.97 55.44 2ken s GLU 62 Cb -0.16 -3.46 -0.09 0.00 0.10 0.00 0.00 34.13 30.51 2ken s GLU 62 CO 0.21 0.14 1.33 -1.14 0.02 0.00 0.00 175.26 175.82 2ken s GLN 63 N 0.75 4.37 0.00 1.61 0.74 -1.26 -2.50 119.66 123.36 2ken s GLN 63 Ca 0.20 2.12 0.00 0.00 0.05 0.00 0.00 55.36 57.73 2ken s GLN 63 Cb -0.14 -3.16 0.00 0.00 1.10 0.00 0.00 33.01 30.81 2ken s GLN 63 CO 0.07 -0.26 0.00 0.41 -0.55 0.00 0.00 175.29 174.96 2ken n GLY 64 N 2.08 1.19 3.98 2.59 0.00 -1.00 -5.01 105.19 109.02 2ken n GLY 64 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 3.29 -0.11 1.61 8.01 -1.04 -4.86 118.70 124.90 2ken s GLU 65 Ca 0.00 -0.83 -0.10 0.00 0.01 0.00 0.00 54.97 54.05 2ken s GLU 65 Cb 0.00 -2.83 -0.05 0.00 -4.31 0.00 0.00 34.13 26.94 2ken s GLU 65 CO 0.00 0.23 0.22 -1.54 0.01 0.00 0.00 175.26 174.18 2ken s SER 66 N -4.07 6.46 0.08 -0.19 1.04 -1.26 -2.82 113.70 112.93 2ken s SER 66 Ca 0.40 0.54 0.03 0.00 0.48 0.00 0.00 55.95 57.40 2ken s SER 66 Cb -0.09 -2.13 -0.03 0.00 0.10 0.00 0.00 66.02 63.87 2ken s SER 66 CO 0.31 0.31 -0.10 -0.31 0.98 0.00 0.00 173.24 174.43 2ken s TYR 67 N -0.62 0.96 -0.13 5.02 2.02 -0.74 -2.84 117.35 121.01 2ken s TYR 67 Ca 0.16 -0.60 -0.01 0.00 -0.37 0.00 0.00 57.07 56.24 2ken s TYR 67 Cb -0.13 -0.54 -0.02 0.00 -0.40 0.00 0.00 41.96 40.87 2ken s TYR 67 CO 0.05 -0.03 -0.09 -1.17 -1.57 0.00 0.00 175.55 172.74 2ken s LEU 68 N -2.14 2.97 -0.21 -1.29 2.96 -0.12 -2.71 118.68 118.14 2ken s LEU 68 Ca 0.00 -0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 53.66 2ken s LEU 68 Cb -0.05 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 2ken s LEU 68 CO 0.00 0.19 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.42 2ken s LEU 69 N 0.20 2.90 0.14 -0.68 1.43 0.20 -2.41 118.68 120.46 2ken s LEU 69 Ca -0.05 -0.38 0.10 0.00 -1.03 0.00 0.00 54.13 52.77 2ken s LEU 69 Cb -0.15 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 2ken s LEU 69 CO 0.04 -0.00 -0.21 -0.13 0.23 0.00 0.00 176.35 176.28 2ken s ARG 70 N 1.38 1.66 -1.21 1.70 0.52 -1.07 -0.82 118.95 121.12 2ken s ARG 70 Ca 0.05 -1.30 -0.11 0.00 -0.52 0.00 0.00 55.73 53.84 2ken s ARG 70 Cb -0.14 -2.01 -0.01 0.00 0.52 0.00 0.00 34.95 33.30 2ken s ARG 70 CO -0.03 0.45 0.73 -1.13 0.02 0.00 0.00 175.30 175.35 2ken n SER 71 N 0.63 -3.77 -4.70 0.23 3.41 -1.25 -2.31 113.62 105.86 2ken n SER 71 Ca -0.15 -0.94 -0.24 0.00 -0.26 0.00 0.00 58.87 57.28 2ken n SER 71 Cb 0.54 -3.69 -0.07 0.00 -0.26 0.00 0.00 64.21 60.72 2ken n SER 71 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2ken s VAL 72 N -3.58 2.73 0.11 -3.33 -7.23 -1.06 -3.77 120.40 104.26 2ken s VAL 72 Ca 0.30 -1.78 0.08 0.00 -1.81 0.00 0.00 61.98 58.77 2ken s VAL 72 Cb -0.09 -2.93 -0.04 0.00 0.56 0.00 0.00 36.38 33.89 2ken s VAL 72 CO 0.84 -0.14 -0.22 0.54 -0.31 0.00 0.00 175.10 175.81 2ken s VAL 73 N -2.50 1.77 -0.11 1.32 0.11 -1.17 -2.53 120.40 117.29 2ken s VAL 73 Ca 0.38 -1.57 -0.15 0.00 -2.93 0.00 0.00 61.98 57.71 2ken s VAL 73 Cb -0.00 -1.61 -0.05 0.00 -1.53 0.00 0.00 36.38 33.20 2ken s VAL 73 CO 0.22 -0.05 0.36 -0.69 -3.33 0.00 0.00 175.10 171.61 2ken s VAL 74 N -1.16 5.22 0.09 2.04 1.01 -1.03 -0.81 120.40 125.76 2ken s VAL 74 Ca 0.07 0.71 0.04 0.00 0.00 0.00 0.00 61.98 62.81 2ken s VAL 74 Cb -0.10 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2ken s VAL 74 CO 0.04 0.42 0.03 -0.83 0.00 0.00 0.00 175.10 174.76 2ken s GLY 75 N 0.12 1.94 -0.67 4.51 0.00 0.33 -0.52 107.32 113.04 2ken s GLY 75 Ca 0.21 -1.09 -0.22 0.00 0.00 0.00 0.00 44.72 43.61 2ken s GLY 75 CO 0.08 -1.07 0.97 -1.83 0.00 0.00 0.00 173.10 171.25 2ken s GLU 76 N -2.37 3.12 -0.55 2.90 -1.05 -1.26 -2.30 118.70 117.20 2ken s GLU 76 Ca 0.27 -0.85 -0.17 0.00 -0.15 0.00 0.00 54.97 54.07 2ken s GLU 76 Cb -0.12 -4.25 0.11 0.00 -0.44 0.00 0.00 34.13 29.44 2ken s GLU 76 CO 0.20 -1.82 0.56 -0.47 0.95 0.00 0.00 175.26 174.67 2ken s TYR 77 N 4.05 3.16 0.00 4.83 5.04 -0.58 -4.97 117.35 128.88 2ken s TYR 77 Ca 0.23 -1.12 0.00 0.00 -2.44 0.00 0.00 57.07 53.73 2ken s TYR 77 Cb -0.16 -3.80 0.00 0.00 0.35 0.00 0.00 41.96 38.35 2ken s TYR 77 CO 0.10 -1.09 0.00 0.09 -1.34 0.00 0.00 175.55 173.31 2ken n ASN 78 N 5.63 0.00 -0.16 4.32 3.02 -1.26 0.31 115.26 127.11 2ken n ASN 78 Ca -0.12 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.55 2ken n ASN 78 Cb 0.41 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.76 2ken n ASN 78 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2ken n ASP 79 N 3.75 1.01 -4.67 6.41 5.75 -1.26 -4.91 116.55 122.62 2ken n ASP 79 Ca 0.00 -0.80 -0.26 0.00 -0.01 0.00 0.00 54.79 53.72 2ken n ASP 79 Cb 0.00 0.40 -0.07 0.00 -1.03 0.00 0.00 41.12 40.41 2ken n ASP 79 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2ken s ARG 80 N -2.76 2.44 0.20 0.11 0.52 0.15 -5.12 118.95 114.48 2ken s ARG 80 Ca 0.16 -1.12 -0.02 0.00 -0.52 0.00 0.00 55.73 54.23 2ken s ARG 80 Cb 0.18 -2.36 -0.05 0.00 0.52 0.00 0.00 34.95 33.24 2ken s ARG 80 CO 0.66 0.45 0.41 -0.06 0.02 0.00 0.00 175.30 176.77 2ken s PHE 81 N -1.79 3.48 0.07 -0.53 0.08 -1.26 -1.53 117.98 116.50 2ken s PHE 81 Ca 0.28 0.43 -0.06 0.00 0.12 0.00 0.00 56.93 57.70 2ken s PHE 81 Cb -0.09 -1.92 -0.02 0.00 -0.57 0.00 0.00 43.02 40.42 2ken s PHE 81 CO 0.19 0.37 0.10 -0.65 -0.10 0.00 0.00 175.22 175.13 2ken s GLN 82 N -3.19 0.73 -0.21 0.44 -0.21 -0.97 -4.52 119.66 111.73 2ken s GLN 82 Ca 0.40 -1.03 -0.07 0.00 0.02 0.00 0.00 55.36 54.67 2ken s GLN 82 Cb -0.11 0.28 -0.04 0.00 1.00 0.00 0.00 33.01 34.14 2ken s GLN 82 CO 0.28 -0.20 0.07 0.08 -2.12 0.00 0.00 175.29 173.40 2ken s VAL 83 N -3.74 4.64 -0.21 1.09 1.01 -1.09 -0.51 120.40 121.59 2ken s VAL 83 Ca 0.05 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.87 2ken s VAL 83 Cb 0.05 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2ken s VAL 83 CO -0.10 0.41 0.09 -1.10 0.00 0.00 0.00 175.10 174.40 2ken s GLN 84 N 0.85 3.94 -0.17 2.72 -1.52 0.01 -2.26 119.66 123.23 2ken s GLN 84 Ca 0.04 -0.35 -0.07 0.00 -1.95 0.00 0.00 55.36 53.03 2ken s GLN 84 Cb -0.14 -3.32 -0.04 0.00 -0.22 0.00 0.00 33.01 29.29 2ken s GLN 84 CO 0.02 0.13 0.08 0.08 -0.25 0.00 0.00 175.29 175.35 2ken s VAL 85 N 0.79 4.92 0.00 1.09 1.01 -1.06 -3.06 120.40 124.09 2ken s VAL 85 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2ken s VAL 85 Cb -0.13 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2ken s VAL 85 CO 0.02 0.49 0.00 0.59 0.00 0.00 0.00 175.10 176.20 2ken n ASN 86 N 3.19 1.30 -0.20 3.32 3.02 -1.26 -2.75 115.26 121.88 2ken n ASN 86 Ca -0.17 -0.84 -0.09 0.00 -0.03 0.00 0.00 54.58 53.45 2ken n ASN 86 Cb 0.53 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.71 2ken n ASN 86 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2ken h LYS 87 N 0.00 0.93 0.00 3.52 1.63 -1.81 -1.99 116.57 118.86 2ken h LYS 87 Ca 0.00 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 2ken h LYS 87 Cb 0.00 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 2ken h LYS 87 CO 0.00 0.89 0.00 -1.71 -3.45 0.00 0.00 179.45 175.18 2ken n ASN 88 N -4.34 0.28 -4.90 4.20 2.85 -1.26 -4.68 115.26 107.41 2ken n ASN 88 Ca 0.02 0.60 -0.28 0.00 -0.11 0.00 0.00 54.58 54.81 2ken n ASN 88 Cb 0.27 -0.65 0.03 0.00 1.24 0.00 0.00 39.78 40.67 2ken n ASN 88 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2ken s SER 89 N -3.52 5.63 0.08 1.20 0.15 -0.75 -4.77 113.70 111.72 2ken s SER 89 Ca 0.02 0.91 0.01 0.00 0.70 0.00 0.00 55.95 57.60 2ken s SER 89 Cb 0.06 -1.87 -0.04 0.00 -1.71 0.00 0.00 66.02 62.46 2ken s SER 89 CO 0.20 -1.11 -0.06 -0.44 1.20 0.00 0.00 173.24 173.03 2ken s SER 90 N -4.30 0.97 -0.05 5.45 0.01 -0.98 -4.89 113.70 109.92 2ken s SER 90 Ca 0.55 -0.89 0.01 0.00 1.31 0.00 0.00 55.95 56.92 2ken s SER 90 Cb -0.11 0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.24 2ken s SER 90 CO 0.48 -0.42 -0.03 -0.63 0.41 0.00 0.00 173.24 173.04 2ken s ILE 91 N -3.12 0.47 -0.05 1.44 1.01 -1.26 -2.61 121.20 117.08 2ken s ILE 91 Ca 0.06 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.67 2ken s ILE 91 Cb 0.02 -0.52 0.01 0.00 0.01 0.00 0.00 42.46 41.98 2ken s ILE 91 CO -0.04 0.22 -0.12 -0.70 0.00 0.00 0.00 174.94 174.30 2ken s GLU 92 N 1.08 1.40 0.12 2.79 2.12 -1.01 -4.94 118.70 120.25 2ken s GLU 92 Ca -0.09 -0.39 -0.30 0.00 0.36 0.00 0.00 54.97 54.55 2ken s GLU 92 Cb -0.14 -1.22 -0.06 0.00 0.26 0.00 0.00 34.13 32.97 2ken s GLU 92 CO -0.01 0.10 0.96 0.21 -0.54 0.00 0.00 175.26 175.97 2ken s LYS 93 N 0.38 4.70 0.00 4.30 2.20 -1.26 -0.95 119.74 129.12 2ken s LYS 93 Ca -0.08 1.45 0.15 0.00 -0.36 0.00 0.00 55.97 57.12 2ken s LYS 93 Cb -0.12 -3.37 0.07 0.00 -1.51 0.00 0.00 37.83 32.90 2ken s LYS 93 CO 0.02 0.23 0.90 1.28 -0.36 0.00 0.00 175.35 177.42 2ken n LEU 94 N 2.73 1.96 -0.71 5.43 7.99 -1.13 -4.94 117.00 128.33 2ken n LEU 94 Ca 0.02 -0.92 -0.04 0.00 -0.01 0.00 0.00 56.01 55.06 2ken n LEU 94 Cb 0.49 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.78 2ken n LEU 94 CO 0.51 0.36 -0.04 -0.24 -1.51 0.00 0.00 177.39 176.47 2ken n SER 95 N 0.47 -2.09 -4.06 -1.43 2.88 -1.26 -4.82 113.62 103.31 2ken n SER 95 Ca 0.08 0.11 -0.35 0.00 -1.33 0.00 0.00 58.87 57.38 2ken n SER 95 Cb 0.34 -1.88 -0.11 0.00 -0.75 0.00 0.00 64.21 61.81 2ken n SER 95 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2ken s GLU 96 N -1.84 2.23 0.53 -1.46 2.56 -1.26 -4.96 118.70 114.50 2ken s GLU 96 Ca 0.00 -2.34 -0.21 0.00 0.00 0.00 0.00 54.97 52.42 2ken s GLU 96 Cb 0.00 -3.57 -0.07 0.00 2.00 0.00 0.00 34.13 32.49 2ken s GLU 96 CO 0.00 -1.12 0.95 -2.30 -0.56 0.00 0.00 175.26 172.23 2ken n PRO 97 N 3.71 1.06 -4.29 4.30 -0.02 -1.26 -4.61 135.00 133.89 2ken n PRO 97 Ca 0.05 0.40 -0.35 0.00 -2.02 0.00 0.00 63.50 61.57 2ken n PRO 97 Cb 0.38 -2.09 -0.09 0.00 -0.02 0.00 0.00 33.50 31.68 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 -1.44 4.52 -0.23 4.25 -1.09 -1.26 -5.03 121.20 120.91 2ken s ILE 98 Ca 0.70 -0.17 -0.16 0.00 -2.23 0.00 0.00 60.65 58.79 2ken s ILE 98 Cb -0.47 -2.91 -0.03 0.00 -1.58 0.00 0.00 42.46 37.46 2ken s ILE 98 CO 0.52 0.61 0.44 -0.70 -1.23 0.00 0.00 174.94 174.57 2ken s GLU 99 N -0.90 4.11 0.00 2.79 2.12 -1.26 -4.91 118.70 120.65 2ken s GLU 99 Ca 0.14 0.22 0.20 0.00 0.36 0.00 0.00 54.97 55.89 2ken s GLU 99 Cb -0.11 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 2ken s GLU 99 CO 0.03 -0.20 0.99 1.33 -0.54 0.00 0.00 175.26 176.87 2ken n VAL 100 N 4.78 0.00 0.00 3.70 0.24 -1.26 -4.59 118.33 121.19 2ken n VAL 100 Ca -0.07 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 2ken n VAL 100 Cb 0.51 1.21 0.00 0.00 -1.47 0.00 0.00 33.84 34.08 2ken n VAL 100 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ken n GLY 101 N 1.35 -0.82 3.16 7.63 0.00 -1.26 -4.97 105.19 110.28 2ken n GLY 101 Ca 0.08 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2ken n GLY 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ken n LEU 102 N 0.00 0.80 0.00 0.99 4.77 -1.26 -4.72 117.00 117.58 2ken n LEU 102 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2ken n LEU 102 Cb 0.00 -1.70 -0.00 0.00 -2.33 0.00 0.00 43.42 39.39 2ken n LEU 102 CO 0.00 -0.62 -0.00 -0.62 -1.33 0.00 0.00 177.39 174.82 2ken n GLU 103 N -0.20 -0.02 -3.68 3.23 1.02 -1.26 -4.87 120.64 114.87 2ken n GLU 103 Ca 0.00 0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 57.06 2ken n GLU 103 Cb 0.22 -0.02 -0.10 0.00 -0.02 0.00 0.00 31.44 31.52 2ken n GLU 103 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2ken s HIS 104 N -0.04 -0.73 0.00 -0.32 -3.43 -1.26 -5.02 115.29 104.49 2ken s HIS 104 Ca 0.00 1.48 0.04 0.00 -0.80 0.00 0.00 55.06 55.77 2ken s HIS 104 Cb 0.00 0.34 0.06 0.00 -1.43 0.00 0.00 32.58 31.55 2ken s HIS 104 CO 0.00 -0.41 0.84 1.58 -2.00 0.00 0.00 174.74 174.75 2ken n HIS 105 N 4.56 0.00 -3.36 0.38 -0.00 -1.26 -5.05 115.22 110.49 2ken n HIS 105 Ca -0.19 -0.25 -0.25 0.00 -0.00 0.00 0.00 57.72 57.03 2ken n HIS 105 Cb 0.54 0.25 0.02 0.00 -0.00 0.00 0.00 29.99 30.80 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 0.07 -2.80 -2.68 1.57 -0.00 -1.26 -4.88 115.22 105.24 2ken n HIS 106 Ca -0.09 1.15 -0.40 0.00 -0.00 0.00 0.00 57.72 58.37 2ken n HIS 106 Cb 0.69 -2.78 -0.05 0.00 -0.00 0.00 0.00 29.99 27.84 2ken n HIS 106 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2ken s HIS 107 N -2.20 3.87 0.27 1.57 3.76 -1.26 -5.01 115.29 116.29 2ken s HIS 107 Ca 0.24 1.85 -0.29 0.00 -0.15 0.00 0.00 55.06 56.71 2ken s HIS 107 Cb -0.04 -3.07 -0.09 0.00 1.11 0.00 0.00 32.58 30.50 2ken s HIS 107 CO 0.84 0.17 1.14 -3.38 -0.85 0.00 0.00 174.74 172.67 2ken s HIS 108 N -1.10 3.49 -2.00 1.40 -3.43 -1.26 -5.29 115.29 107.11 2ken s HIS 108 Ca 0.42 1.62 0.29 0.00 -0.80 0.00 0.00 55.06 56.59 2ken s HIS 108 Cb -0.27 -3.36 1.71 0.00 -1.43 0.00 0.00 32.58 29.23 2ken s HIS 108 CO 0.34 -0.82 2.05 -2.39 -2.00 0.00 0.00 174.74 171.92