#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ken h GLU 2 N 0.00 0.03 -7.40 0.03 5.08 -2.06 -3.47 114.58 106.79 2ken h GLU 2 Ca 0.00 -0.05 -0.50 0.00 -1.00 0.00 0.00 59.36 57.81 2ken h GLU 2 Cb 0.00 0.02 0.09 0.00 0.50 0.00 0.00 28.75 29.35 2ken h GLU 2 CO 0.00 1.02 0.39 -1.25 -1.00 0.00 0.00 179.01 178.17 2ken s PRO 3 N -2.28 2.86 -0.22 2.33 0.04 -1.26 -4.99 135.00 131.48 2ken s PRO 3 Ca -0.21 0.69 -0.29 0.00 0.04 0.00 0.00 61.00 61.23 2ken s PRO 3 Cb -0.00 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.53 2ken s PRO 3 CO 0.68 -1.08 1.21 -0.65 0.04 0.00 0.00 177.00 177.20 2ken s GLN 4 N -5.19 4.15 -0.15 4.56 -0.21 -1.26 -5.00 119.66 116.55 2ken s GLN 4 Ca 0.58 1.45 -0.17 0.00 0.02 0.00 0.00 55.36 57.25 2ken s GLN 4 Cb -0.13 -3.77 -0.04 0.00 1.00 0.00 0.00 33.01 30.08 2ken s GLN 4 CO 0.54 -0.81 0.43 -0.51 -2.12 0.00 0.00 175.29 172.82 2ken s LEU 5 N 3.66 4.23 0.09 2.90 1.43 -1.25 -2.08 118.68 127.67 2ken s LEU 5 Ca 0.52 0.67 0.07 0.00 -1.03 0.00 0.00 54.13 54.36 2ken s LEU 5 Cb -0.18 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 2ken s LEU 5 CO 0.15 -0.02 -0.17 -0.89 0.23 0.00 0.00 176.35 175.65 2ken s THR 6 N 0.87 1.42 0.05 5.49 2.01 -0.85 -4.97 115.64 119.66 2ken s THR 6 Ca 0.22 -1.46 -0.05 0.00 0.31 0.00 0.00 61.69 60.71 2ken s THR 6 Cb -0.15 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 70.97 2ken s THR 6 CO 0.08 -0.17 0.28 -0.54 -0.69 0.00 0.00 174.62 173.59 2ken s LYS 7 N -1.92 3.56 0.24 4.92 1.02 -1.26 -4.73 119.74 121.57 2ken s LYS 7 Ca 0.03 -0.16 -0.06 0.00 0.02 0.00 0.00 55.97 55.81 2ken s LYS 7 Cb -0.09 -3.02 0.34 0.00 -0.52 0.00 0.00 37.83 34.54 2ken s LYS 7 CO 0.03 0.60 1.83 0.82 -0.92 0.00 0.00 175.35 177.71 2ken h ILE 8 N 2.61 0.99 0.00 2.17 2.04 -1.98 0.45 117.51 123.78 2ken h ILE 8 Ca -0.48 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.08 2ken h ILE 8 Cb 1.18 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2ken h ILE 8 CO 0.70 0.16 0.00 0.55 0.00 0.00 0.00 178.15 179.55 2ken n VAL 9 N -4.69 1.49 0.38 1.67 3.14 -1.26 -0.63 118.33 118.43 2ken n VAL 9 Ca 0.12 0.37 0.12 0.00 -2.96 0.00 0.00 64.34 61.99 2ken n VAL 9 Cb 0.21 -1.29 0.20 0.00 -1.06 0.00 0.00 33.84 31.90 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 -1.45 3.43 -4.62 6.55 -0.08 0.16 -4.89 116.55 115.64 2ken n ASP 10 Ca 0.01 -1.99 -0.41 0.00 -1.51 0.00 0.00 54.79 50.89 2ken n ASP 10 Cb 0.05 -0.22 -0.05 0.00 2.34 0.00 0.00 41.12 43.24 2ken n ASP 10 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2ken s ILE 11 N -1.54 4.88 0.00 5.18 1.01 0.20 -4.80 121.20 126.13 2ken s ILE 11 Ca 0.37 1.24 0.00 0.00 0.00 0.00 0.00 60.65 62.27 2ken s ILE 11 Cb 0.22 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.64 2ken s ILE 11 CO 0.31 -0.09 0.18 1.33 0.00 0.00 0.00 174.94 176.67 2ken n VAL 12 N 5.33 0.00 -4.38 2.92 0.24 -1.26 -5.08 118.33 116.10 2ken n VAL 12 Ca 0.02 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.10 2ken n VAL 12 Cb 0.48 0.78 -0.16 0.00 -1.47 0.00 0.00 33.84 33.46 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 1.33 0.29 7.34 -6.30 -1.26 -5.14 118.70 114.97 2ken s GLU 13 Ca 0.00 -0.28 -0.12 0.00 -2.50 0.00 0.00 54.97 52.07 2ken s GLU 13 Cb 0.00 -1.18 -0.08 0.00 0.00 0.00 0.00 34.13 32.87 2ken s GLU 13 CO 0.00 -0.03 0.66 0.54 0.02 0.00 0.00 175.26 176.45 2ken s ASN 14 N 0.82 6.68 -0.08 -1.70 2.20 -1.26 -3.91 114.94 117.69 2ken s ASN 14 Ca -0.12 1.10 0.00 0.00 -0.94 0.00 0.00 52.86 52.90 2ken s ASN 14 Cb -0.15 -2.30 0.00 0.00 -2.00 0.00 0.00 41.25 36.80 2ken s ASN 14 CO 0.02 -0.17 0.00 0.61 -2.94 0.00 0.00 177.10 174.61 2ken n GLY 15 N -0.39 0.47 3.86 0.45 0.00 0.79 -4.95 105.19 105.43 2ken n GLY 15 Ca 0.02 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.37 3.83 -0.20 1.61 0.74 -1.25 -4.78 119.66 118.24 2ken s GLN 16 Ca 0.00 0.28 -0.10 0.00 0.05 0.00 0.00 55.36 55.59 2ken s GLN 16 Cb 0.00 -3.01 -0.05 0.00 1.10 0.00 0.00 33.01 31.05 2ken s GLN 16 CO 0.00 0.56 0.14 -1.58 -0.55 0.00 0.00 175.29 173.85 2ken s TRP 17 N -1.38 3.41 0.38 1.67 0.52 -1.26 -2.11 118.94 120.17 2ken s TRP 17 Ca 0.33 0.34 -0.14 0.00 0.02 0.00 0.00 56.10 56.65 2ken s TRP 17 Cb -0.15 -2.18 0.06 0.00 -1.15 0.00 0.00 33.47 30.05 2ken s TRP 17 CO 0.18 0.27 0.75 0.00 0.02 0.00 0.00 176.95 178.17 2ken n ALA 18 N 3.57 -1.66 -2.93 0.98 0.00 -1.00 -4.99 120.51 114.48 2ken n ALA 18 Ca -0.16 -1.21 -0.10 0.00 0.00 0.00 0.00 53.44 51.96 2ken n ALA 18 Cb 0.52 0.97 -0.12 0.00 0.00 0.00 0.00 19.45 20.82 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 -2.97 0.13 0.13 0.00 0.01 -0.88 -2.61 114.94 108.75 2ken s ASN 19 Ca 0.15 -0.27 -0.24 0.00 -0.71 0.00 0.00 52.86 51.79 2ken s ASN 19 Cb -0.05 0.06 0.07 0.00 0.41 0.00 0.00 41.25 41.74 2ken s ASN 19 CO 0.12 -0.17 0.61 -1.48 -1.51 0.00 0.00 177.10 174.67 2ken s LEU 20 N -0.80 -0.58 -0.12 0.60 0.05 -1.01 -2.01 118.68 114.81 2ken s LEU 20 Ca -0.09 0.10 -0.07 0.00 0.05 0.00 0.00 54.13 54.13 2ken s LEU 20 Cb -0.05 2.59 -0.04 0.00 -2.05 0.00 0.00 46.19 46.63 2ken s LEU 20 CO -0.01 -0.92 0.13 -0.75 -0.55 0.00 0.00 176.35 174.26 2ken s LYS 21 N -3.38 3.43 0.09 1.48 2.20 -1.26 -1.91 119.74 120.38 2ken s LYS 21 Ca -0.01 -0.16 -0.17 0.00 -0.36 0.00 0.00 55.97 55.28 2ken s LYS 21 Cb -0.01 -3.16 0.03 0.00 -1.51 0.00 0.00 37.83 33.18 2ken s LYS 21 CO -0.10 0.76 0.40 0.00 -0.36 0.00 0.00 175.35 176.05 2ken s ALA 22 N -0.98 -0.95 0.14 3.13 0.00 -1.07 -4.91 121.76 117.13 2ken s ALA 22 Ca 0.15 0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.25 2ken s ALA 22 Cb -0.12 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 2ken s ALA 22 CO 0.04 -0.55 0.19 0.21 0.00 0.00 0.00 175.76 175.65 2ken s LYS 23 N -3.18 3.14 -0.41 0.00 2.20 -0.99 -2.15 119.74 118.35 2ken s LYS 23 Ca -0.01 -0.71 -0.17 0.00 -0.36 0.00 0.00 55.97 54.72 2ken s LYS 23 Cb 0.01 -2.81 0.02 0.00 -1.51 0.00 0.00 37.83 33.54 2ken s LYS 23 CO -0.07 0.52 0.42 0.08 -0.36 0.00 0.00 175.35 175.93 2ken s VAL 24 N -1.68 5.11 -0.19 4.02 1.01 -1.11 0.11 120.40 127.67 2ken s VAL 24 Ca 0.32 -0.35 0.21 0.00 0.00 0.00 0.00 61.98 62.17 2ken s VAL 24 Cb -0.11 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 2ken s VAL 24 CO 0.26 -0.39 0.92 2.30 0.00 0.00 0.00 175.10 178.19 2ken n ILE 25 N 5.39 0.65 -3.51 2.22 -5.35 -1.15 -1.96 119.36 115.66 2ken n ILE 25 Ca -0.08 -0.57 -0.14 0.00 -0.27 0.00 0.00 62.75 61.69 2ken n ILE 25 Cb 0.47 -0.37 -0.05 0.00 -1.74 0.00 0.00 39.64 37.96 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 -3.30 0.97 0.12 6.28 2.00 -1.24 -4.90 119.66 119.59 2ken s GLN 26 Ca -0.02 0.03 0.04 0.00 -2.00 0.00 0.00 55.36 53.42 2ken s GLN 26 Cb 0.10 0.45 -0.04 0.00 0.80 0.00 0.00 33.01 34.32 2ken s GLN 26 CO 0.81 -0.34 -0.11 -0.51 -0.50 0.00 0.00 175.29 174.64 2ken s LEU 27 N -1.61 2.46 -0.11 3.68 1.43 -1.26 -2.64 118.68 120.62 2ken s LEU 27 Ca -0.05 -0.89 -0.04 0.00 -1.03 0.00 0.00 54.13 52.12 2ken s LEU 27 Cb -0.00 -0.35 0.06 0.00 0.03 0.00 0.00 46.19 45.93 2ken s LEU 27 CO 0.02 -0.28 0.20 0.26 0.23 0.00 0.00 176.35 176.77 2ken s TRP 28 N -2.77 -0.26 -0.08 0.29 0.52 0.46 -4.90 118.94 112.21 2ken s TRP 28 Ca 0.10 0.67 -0.26 0.00 0.02 0.00 0.00 56.10 56.64 2ken s TRP 28 Cb -0.01 -0.21 -0.03 0.00 -1.15 0.00 0.00 33.47 32.07 2ken s TRP 28 CO 0.00 -0.33 0.81 -1.21 0.02 0.00 0.00 176.95 176.25 2ken s GLU 29 N 2.33 4.43 -0.07 4.98 2.02 -1.26 0.01 118.70 131.14 2ken s GLU 29 Ca 0.03 1.07 -0.03 0.00 0.02 0.00 0.00 54.97 56.06 2ken s GLU 29 Cb -0.12 -3.49 -0.04 0.00 0.10 0.00 0.00 34.13 30.58 2ken s GLU 29 CO -0.07 -0.08 0.06 1.21 0.02 0.00 0.00 175.26 176.40 2ken s ASN 30 N 0.96 5.63 -0.02 -0.19 3.84 -1.13 -4.94 114.94 119.09 2ken s ASN 30 Ca 0.42 0.22 0.03 0.00 0.21 0.00 0.00 52.86 53.73 2ken s ASN 30 Cb -0.18 -1.65 0.04 0.00 -0.55 0.00 0.00 41.25 38.91 2ken s ASN 30 CO 0.19 0.35 1.01 0.35 -2.79 0.00 0.00 177.10 176.21 2ken n THR 31 N 1.81 1.09 0.26 -5.21 -2.24 -1.26 -4.68 114.28 104.05 2ken n THR 31 Ca -0.17 -1.15 0.00 0.00 -2.27 0.00 0.00 64.05 60.46 2ken n THR 31 Cb 0.54 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 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 -0.62 0.00 -1.24 4.78 -0.00 -1.26 -4.70 115.22 112.18 2ken n HIS 32 Ca 0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.64 2ken n HIS 32 Cb 0.32 -0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.27 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 -0.46 -1.62 0.00 1.57 1.02 -1.26 -4.58 120.64 115.31 2ken n GLU 33 Ca 0.00 0.78 0.00 0.00 -0.02 0.00 0.00 57.16 57.92 2ken n GLU 33 Cb 0.00 -5.03 0.00 0.00 -0.02 0.00 0.00 31.44 26.39 2ken n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2ken n SER 34 N -0.70 1.95 -4.57 1.62 2.88 -1.26 -5.06 113.62 108.49 2ken n SER 34 Ca -0.11 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.10 2ken n SER 34 Cb 0.51 0.15 -0.11 0.00 -0.75 0.00 0.00 64.21 64.00 2ken n SER 34 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2ken s ILE 35 N -1.41 3.70 -0.05 2.46 1.01 -1.26 -4.19 121.20 121.45 2ken s ILE 35 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 2ken s ILE 35 Cb 0.00 -2.53 -0.00 0.00 0.01 0.00 0.00 42.46 39.94 2ken s ILE 35 CO 0.00 0.59 -0.01 -1.28 0.00 0.00 0.00 174.94 174.23 2ken h SER 36 N 5.45 0.00 -5.03 3.58 0.87 -0.92 -3.41 113.55 114.09 2ken h SER 36 Ca -0.46 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.00 2ken h SER 36 Cb 1.18 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.96 2ken h SER 36 CO 0.53 0.27 -0.27 -1.58 -0.53 0.00 0.00 176.83 175.25 2ken s GLN 37 N -1.33 0.75 0.13 2.24 0.74 -1.04 -2.82 119.66 118.33 2ken s GLN 37 Ca -0.01 -0.41 0.00 0.00 0.05 0.00 0.00 55.36 54.99 2ken s GLN 37 Cb 0.00 0.33 -0.04 0.00 1.10 0.00 0.00 33.01 34.40 2ken s GLN 37 CO 0.02 -0.23 0.01 0.08 -0.55 0.00 0.00 175.29 174.62 2ken s VAL 38 N -2.14 0.36 -1.60 1.34 1.01 0.10 -0.32 120.40 119.14 2ken s VAL 38 Ca -0.08 -1.92 0.00 0.00 0.00 0.00 0.00 61.98 59.98 2ken s VAL 38 Cb -0.02 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.40 2ken s VAL 38 CO -0.01 -0.59 0.00 0.61 0.00 0.00 0.00 175.10 175.12 2ken n GLY 39 N -0.11 -0.73 3.22 4.51 0.00 -1.13 0.17 105.19 111.12 2ken n GLY 39 Ca -0.08 -0.81 -0.23 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 2.21 -0.16 0.99 1.43 -1.08 -2.64 118.68 119.43 2ken s LEU 40 Ca 0.00 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.52 2ken s LEU 40 Cb 0.00 -0.80 -0.02 0.00 0.03 0.00 0.00 46.19 45.40 2ken s LEU 40 CO 0.00 0.08 -0.05 -0.76 0.23 0.00 0.00 176.35 175.84 2ken s LEU 41 N -1.39 3.15 -0.57 1.79 1.43 -0.21 -2.91 118.68 119.97 2ken s LEU 41 Ca 0.05 -0.17 -0.19 0.00 -1.03 0.00 0.00 54.13 52.78 2ken s LEU 41 Cb -0.09 -1.76 0.09 0.00 0.03 0.00 0.00 46.19 44.46 2ken s LEU 41 CO 0.02 0.16 0.71 -0.83 0.23 0.00 0.00 176.35 176.64 2ken s GLY 42 N 0.42 1.73 0.34 -3.19 0.00 0.30 -2.52 107.32 104.39 2ken s GLY 42 Ca -0.05 -2.03 0.08 0.00 0.00 0.00 0.00 44.72 42.72 2ken s GLY 42 CO 0.03 1.60 0.27 -0.35 0.00 0.00 0.00 173.10 174.65 2ken s ASP 43 N 3.35 5.20 0.48 1.64 2.15 0.21 -2.36 116.67 127.33 2ken s ASP 43 Ca 0.14 -0.53 0.31 0.00 0.43 0.00 0.00 52.55 52.89 2ken s ASP 43 Cb -0.22 -0.94 1.22 0.00 -0.30 0.00 0.00 42.92 42.68 2ken s ASP 43 CO 0.08 -0.34 1.90 -0.08 -0.17 0.00 0.00 175.17 176.57 2ken h GLU 44 N 1.30 0.00 0.00 4.34 4.81 -1.91 -2.46 114.58 120.65 2ken h GLU 44 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2ken h GLU 44 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2ken h GLU 44 CO 0.59 0.00 -0.67 0.25 -0.73 0.00 0.00 179.01 178.45 2ken n THR 45 N -2.90 0.08 0.00 0.32 -2.24 -1.26 -5.05 114.28 103.24 2ken n THR 45 Ca 0.01 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2ken n THR 45 Cb 0.31 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 1.45 0.06 3.18 3.38 0.00 -0.93 -4.74 105.19 107.60 2ken n GLY 46 Ca 0.04 -1.07 -0.18 0.00 0.00 0.00 0.00 46.02 44.82 2ken n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ken s ILE 47 N -4.00 1.14 -0.09 -0.61 1.01 -1.26 -0.62 121.20 116.77 2ken s ILE 47 Ca 0.00 -1.40 -0.08 0.00 0.00 0.00 0.00 60.65 59.18 2ken s ILE 47 Cb 0.00 -1.17 0.03 0.00 0.01 0.00 0.00 42.46 41.33 2ken s ILE 47 CO 0.00 -0.28 0.24 -0.51 0.00 0.00 0.00 174.94 174.39 2ken s ILE 48 N -1.49 -0.01 0.42 2.92 1.10 -1.05 -4.96 121.20 118.13 2ken s ILE 48 Ca 0.00 0.03 -0.15 0.00 -0.51 0.00 0.00 60.65 60.02 2ken s ILE 48 Cb -0.09 -0.34 -0.08 0.00 0.15 0.00 0.00 42.46 42.10 2ken s ILE 48 CO 0.02 0.01 0.85 -0.75 -2.11 0.00 0.00 174.94 172.97 2ken s LYS 49 N 0.34 3.97 0.04 3.50 2.20 -1.26 -1.05 119.74 127.48 2ken s LYS 49 Ca -0.02 0.77 -0.10 0.00 -0.36 0.00 0.00 55.97 56.26 2ken s LYS 49 Cb -0.03 -2.29 0.01 0.00 -1.51 0.00 0.00 37.83 34.00 2ken s LYS 49 CO -0.01 -0.05 0.21 -0.59 -0.36 0.00 0.00 175.35 174.55 2ken s PHE 50 N -2.30 0.03 -0.05 4.03 -0.71 -1.08 -1.38 117.98 116.52 2ken s PHE 50 Ca 0.56 -0.24 0.02 0.00 -1.04 0.00 0.00 56.93 56.23 2ken s PHE 50 Cb -0.10 -0.01 0.02 0.00 -1.21 0.00 0.00 43.02 41.71 2ken s PHE 50 CO 0.24 -0.44 -0.08 0.99 -1.34 0.00 0.00 175.22 174.60 2ken s THR 51 N -2.53 0.77 -0.19 -4.49 2.01 -0.11 -2.84 115.64 108.27 2ken s THR 51 Ca -0.05 -0.28 -0.08 0.00 0.31 0.00 0.00 61.69 61.59 2ken s THR 51 Cb -0.01 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 2ken s THR 51 CO -0.04 0.27 0.07 -0.63 -0.69 0.00 0.00 174.62 173.60 2ken s ILE 52 N 0.68 4.78 0.15 1.82 1.01 0.56 -1.50 121.20 128.70 2ken s ILE 52 Ca -0.11 -0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.34 2ken s ILE 52 Cb -0.14 -3.16 -0.07 0.00 0.01 0.00 0.00 42.46 39.10 2ken s ILE 52 CO 0.01 0.44 0.58 0.26 0.00 0.00 0.00 174.94 176.24 2ken s TRP 53 N 0.52 3.65 0.41 3.97 0.52 -1.09 -0.29 118.94 126.62 2ken s TRP 53 Ca 0.03 1.15 0.09 0.00 0.02 0.00 0.00 56.10 57.39 2ken s TRP 53 Cb -0.13 -2.43 0.90 0.00 -1.15 0.00 0.00 33.47 30.66 2ken s TRP 53 CO 0.01 0.44 2.01 0.87 0.02 0.00 0.00 176.95 180.30 2ken h LYS 54 N 3.70 0.53 0.00 4.98 1.57 -1.86 0.16 116.57 125.66 2ken h LYS 54 Ca -0.49 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 2ken h LYS 54 Cb 1.20 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2ken h LYS 54 CO 0.65 0.35 0.02 0.09 -0.57 0.00 0.00 179.45 179.99 2ken n ASN 55 N -4.47 0.00 -0.00 0.86 3.02 -1.26 -0.61 115.26 112.80 2ken n ASN 55 Ca 0.07 0.27 -0.13 0.00 -0.03 0.00 0.00 54.58 54.76 2ken n ASN 55 Cb 0.20 -0.27 -0.14 0.00 -0.61 0.00 0.00 39.78 38.96 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 1.88 0.61 -6.38 5.41 0.00 -1.25 -3.38 119.26 116.15 2ken h ALA 56 Ca 0.00 -1.38 -0.48 0.00 0.00 0.00 0.00 54.91 53.05 2ken h ALA 56 Cb 0.03 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2ken h ALA 56 CO 0.00 1.45 -0.87 0.39 0.00 0.00 0.00 179.25 180.21 2ken n GLU 57 N -3.23 -3.67 -3.79 0.00 1.02 0.22 -4.71 120.64 106.48 2ken n GLU 57 Ca -0.20 0.46 -0.21 0.00 -0.02 0.00 0.00 57.16 57.20 2ken n GLU 57 Cb 1.05 -4.69 -0.02 0.00 -0.02 0.00 0.00 31.44 27.75 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 -6.87 3.91 0.64 -4.62 1.02 -1.26 -5.09 118.68 106.41 2ken s LEU 58 Ca 0.01 -0.23 -0.18 0.00 0.02 0.00 0.00 54.13 53.75 2ken s LEU 58 Cb -0.00 -2.55 -0.01 0.00 0.02 0.00 0.00 46.19 43.65 2ken s LEU 58 CO 0.87 -0.26 1.28 -2.84 0.02 0.00 0.00 176.35 175.42 2ken s PRO 59 N -4.02 2.58 0.36 1.29 0.02 -1.26 -4.97 135.00 129.00 2ken s PRO 59 Ca 0.39 2.04 -0.27 0.00 0.02 0.00 0.00 61.00 63.18 2ken s PRO 59 Cb -0.08 -1.85 -0.09 0.00 0.02 0.00 0.00 34.50 32.50 2ken s PRO 59 CO 0.28 -1.57 1.13 -0.51 -0.33 0.00 0.00 177.00 176.01 2ken s LEU 60 N -4.35 4.32 0.34 -5.54 1.43 -1.26 -5.02 118.68 108.60 2ken s LEU 60 Ca 0.82 2.29 -0.17 0.00 -1.03 0.00 0.00 54.13 56.04 2ken s LEU 60 Cb -0.37 -3.90 -0.09 0.00 0.03 0.00 0.00 46.19 41.86 2ken s LEU 60 CO 0.39 -0.46 0.79 -0.76 0.23 0.00 0.00 176.35 176.54 2ken s LEU 61 N -2.13 4.06 -0.03 1.79 1.02 -1.26 -5.07 118.68 117.05 2ken s LEU 61 Ca 0.52 1.39 0.02 0.00 0.02 0.00 0.00 54.13 56.09 2ken s LEU 61 Cb -0.30 -4.15 -0.03 0.00 0.02 0.00 0.00 46.19 41.72 2ken s LEU 61 CO 0.38 -0.22 -0.06 -1.61 0.02 0.00 0.00 176.35 174.86 2ken s GLU 62 N -2.94 2.68 0.22 1.70 8.01 -1.26 -5.05 118.70 122.05 2ken s GLU 62 Ca 0.55 -0.62 -0.30 0.00 0.01 0.00 0.00 54.97 54.61 2ken s GLU 62 Cb -0.10 -2.57 -0.09 0.00 -4.31 0.00 0.00 34.13 27.06 2ken s GLU 62 CO 0.17 0.64 1.11 -0.65 0.01 0.00 0.00 175.26 176.54 2ken s GLN 63 N -1.17 4.60 0.00 1.61 -0.21 -1.26 -3.03 119.66 120.20 2ken s GLN 63 Ca 0.15 1.78 0.00 0.00 0.02 0.00 0.00 55.36 57.31 2ken s GLN 63 Cb -0.11 -3.23 0.00 0.00 1.00 0.00 0.00 33.01 30.67 2ken s GLN 63 CO 0.05 0.11 0.00 0.41 -2.12 0.00 0.00 175.29 173.74 2ken n GLY 64 N 1.68 2.07 3.93 3.09 0.00 -0.83 -5.03 105.19 110.11 2ken n GLY 64 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.72 3.51 0.34 1.61 2.02 -1.17 -4.89 118.70 119.40 2ken s GLU 65 Ca 0.00 -0.37 -0.01 0.00 0.02 0.00 0.00 54.97 54.60 2ken s GLU 65 Cb 0.00 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 31.35 2ken s GLU 65 CO 0.00 0.40 0.57 -1.54 0.02 0.00 0.00 175.26 174.71 2ken s SER 66 N -3.24 6.32 -0.02 -0.19 1.04 -1.26 -2.76 113.70 113.59 2ken s SER 66 Ca 0.38 0.54 -0.15 0.00 0.48 0.00 0.00 55.95 57.20 2ken s SER 66 Cb -0.11 -2.07 0.02 0.00 0.10 0.00 0.00 66.02 63.96 2ken s SER 66 CO 0.29 -0.29 0.32 -0.31 0.98 0.00 0.00 173.24 174.23 2ken s TYR 67 N -2.30 -0.20 -0.17 5.02 1.51 -0.91 -2.67 117.35 117.63 2ken s TYR 67 Ca 0.41 0.33 -0.07 0.00 -1.01 0.00 0.00 57.07 56.73 2ken s TYR 67 Cb -0.10 0.11 -0.04 0.00 -0.11 0.00 0.00 41.96 41.82 2ken s TYR 67 CO 0.36 -0.38 0.06 -1.17 -1.11 0.00 0.00 175.55 173.31 2ken s LEU 68 N -1.22 3.85 -0.40 -1.29 1.98 -0.54 -2.58 118.68 118.48 2ken s LEU 68 Ca -0.13 0.12 -0.10 0.00 -2.89 0.00 0.00 54.13 51.13 2ken s LEU 68 Cb -0.05 -1.96 0.05 0.00 0.66 0.00 0.00 46.19 44.89 2ken s LEU 68 CO 0.04 0.21 0.24 -0.76 -1.89 0.00 0.00 176.35 174.19 2ken s LEU 69 N 0.13 4.95 -0.07 -0.68 1.43 -0.80 -2.94 118.68 120.69 2ken s LEU 69 Ca 0.05 -1.25 0.00 0.00 -1.03 0.00 0.00 54.13 51.90 2ken s LEU 69 Cb -0.12 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2ken s LEU 69 CO 0.01 -0.47 -0.06 -0.13 0.23 0.00 0.00 176.35 175.93 2ken s ARG 70 N 1.49 2.82 -1.11 1.70 0.52 -1.11 -2.40 118.95 120.86 2ken s ARG 70 Ca 0.02 -0.54 -0.12 0.00 -0.52 0.00 0.00 55.73 54.58 2ken s ARG 70 Cb -0.21 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.60 2ken s ARG 70 CO 0.04 0.64 0.85 0.45 0.02 0.00 0.00 175.30 177.31 2ken n SER 71 N 2.29 -5.63 -4.72 0.23 2.88 -1.26 -2.10 113.62 105.31 2ken n SER 71 Ca -0.18 -0.85 -0.23 0.00 -1.33 0.00 0.00 58.87 56.28 2ken n SER 71 Cb 0.53 -4.35 -0.07 0.00 -0.75 0.00 0.00 64.21 59.57 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 -3.44 2.89 0.14 2.46 -7.23 -1.07 -3.72 120.40 110.43 2ken s VAL 72 Ca 0.43 -1.73 0.07 0.00 -1.81 0.00 0.00 61.98 58.94 2ken s VAL 72 Cb -0.10 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.85 2ken s VAL 72 CO 0.80 -0.17 -0.17 0.54 -0.31 0.00 0.00 175.10 175.79 2ken s VAL 73 N -2.46 1.60 -0.12 1.32 0.11 -1.24 -2.38 120.40 117.23 2ken s VAL 73 Ca 0.38 -1.77 -0.16 0.00 -2.93 0.00 0.00 61.98 57.50 2ken s VAL 73 Cb -0.02 -1.66 -0.05 0.00 -1.53 0.00 0.00 36.38 33.13 2ken s VAL 73 CO 0.22 -0.31 0.38 -0.69 -3.33 0.00 0.00 175.10 171.38 2ken s VAL 74 N -1.91 5.23 0.03 2.04 1.01 -0.90 -1.95 120.40 123.95 2ken s VAL 74 Ca 0.11 0.75 -0.00 0.00 0.00 0.00 0.00 61.98 62.84 2ken s VAL 74 Cb -0.06 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2ken s VAL 74 CO 0.05 0.39 0.16 -0.83 0.00 0.00 0.00 175.10 174.87 2ken s GLY 75 N 0.35 2.14 -0.60 4.51 0.00 0.16 -0.15 107.32 113.72 2ken s GLY 75 Ca 0.21 -0.85 -0.20 0.00 0.00 0.00 0.00 44.72 43.89 2ken s GLY 75 CO 0.08 -0.78 0.76 1.85 0.00 0.00 0.00 173.10 175.00 2ken s GLU 76 N -2.20 3.06 -0.46 2.90 2.12 -1.26 -2.34 118.70 120.51 2ken s GLU 76 Ca 0.30 -1.20 -0.14 0.00 0.36 0.00 0.00 54.97 54.29 2ken s GLU 76 Cb -0.13 -4.25 0.07 0.00 0.26 0.00 0.00 34.13 30.08 2ken s GLU 76 CO 0.22 -1.59 0.36 -0.47 -0.54 0.00 0.00 175.26 173.24 2ken s TYR 77 N 2.98 3.26 0.00 5.30 5.04 -0.69 -4.99 117.35 128.26 2ken s TYR 77 Ca 0.14 -1.05 0.00 0.00 -2.44 0.00 0.00 57.07 53.71 2ken s TYR 77 Cb -0.22 -3.11 0.00 0.00 0.35 0.00 0.00 41.96 38.97 2ken s TYR 77 CO 0.07 -0.80 0.00 -1.71 -1.34 0.00 0.00 175.55 171.77 2ken n ASN 78 N 5.14 0.00 0.06 4.32 5.15 -1.26 0.09 115.26 128.76 2ken n ASN 78 Ca -0.12 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 53.97 2ken n ASN 78 Cb 0.44 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.67 2ken n ASN 78 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2ken n ASP 79 N 2.78 0.63 -4.98 1.20 8.00 -1.26 -4.92 116.55 118.00 2ken n ASP 79 Ca 0.00 0.13 -0.20 0.00 0.71 0.00 0.00 54.79 55.43 2ken n ASP 79 Cb 0.00 0.78 -0.01 0.00 -0.02 0.00 0.00 41.12 41.87 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 -3.34 3.27 0.14 -1.24 0.52 0.11 -5.12 118.95 113.30 2ken s ARG 80 Ca -0.00 -0.84 0.06 0.00 -0.52 0.00 0.00 55.73 54.43 2ken s ARG 80 Cb 0.12 -2.83 -0.04 0.00 0.52 0.00 0.00 34.95 32.72 2ken s ARG 80 CO 0.81 0.20 0.02 -0.06 0.02 0.00 0.00 175.30 176.28 2ken s PHE 81 N -2.13 2.93 0.13 -0.53 0.08 -1.26 -1.71 117.98 115.50 2ken s PHE 81 Ca 0.40 -0.08 -0.08 0.00 0.12 0.00 0.00 56.93 57.29 2ken s PHE 81 Cb -0.09 -1.45 -0.01 0.00 -0.57 0.00 0.00 43.02 40.89 2ken s PHE 81 CO 0.31 0.50 0.21 1.14 -0.10 0.00 0.00 175.22 177.28 2ken s GLN 82 N -2.74 1.00 -0.21 0.44 -2.07 -0.99 -4.45 119.66 110.64 2ken s GLN 82 Ca 0.27 -1.13 -0.07 0.00 -1.82 0.00 0.00 55.36 52.61 2ken s GLN 82 Cb -0.10 0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 32.12 2ken s GLN 82 CO 0.19 -0.34 0.07 0.08 -1.32 0.00 0.00 175.29 173.97 2ken s VAL 83 N -3.94 4.60 -0.20 3.63 1.01 -0.48 0.37 120.40 125.40 2ken s VAL 83 Ca 0.13 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 2ken s VAL 83 Cb 0.04 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 2ken s VAL 83 CO -0.04 0.41 0.04 -1.10 0.00 0.00 0.00 175.10 174.40 2ken s GLN 84 N 0.89 3.77 -0.12 2.72 -0.21 -0.82 -0.93 119.66 124.96 2ken s GLN 84 Ca 0.04 -0.44 -0.11 0.00 0.02 0.00 0.00 55.36 54.86 2ken s GLN 84 Cb -0.14 -3.17 -0.05 0.00 1.00 0.00 0.00 33.01 30.65 2ken s GLN 84 CO 0.03 0.09 0.25 0.08 -2.12 0.00 0.00 175.29 173.62 2ken s VAL 85 N 0.84 5.32 0.00 1.09 1.01 -0.56 -3.68 120.40 124.42 2ken s VAL 85 Ca 0.02 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2ken s VAL 85 Cb -0.14 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2ken s VAL 85 CO 0.02 0.51 0.00 -0.46 0.00 0.00 0.00 175.10 175.17 2ken n ASN 86 N 2.71 0.90 -0.26 3.32 0.23 -1.26 -2.67 115.26 118.24 2ken n ASN 86 Ca -0.15 -0.94 -0.05 0.00 -0.53 0.00 0.00 54.58 52.90 2ken n ASN 86 Cb 0.53 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 38.32 2ken n ASN 86 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 2ken h LYS 87 N 0.00 1.13 0.00 -3.83 2.10 -1.84 -1.83 116.57 112.29 2ken h LYS 87 Ca 0.00 -0.22 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 2ken h LYS 87 Cb 0.00 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 31.15 2ken h LYS 87 CO 0.00 0.94 0.00 -0.91 -2.00 0.00 0.00 179.45 177.48 2ken h ASN 88 N 1.09 0.00 -3.88 7.07 -0.26 -1.94 -3.44 115.58 114.23 2ken h ASN 88 Ca 0.24 0.00 -0.47 0.00 -0.56 0.00 0.00 56.30 55.51 2ken h ASN 88 Cb 0.26 0.00 0.07 0.00 -1.06 0.00 0.00 38.32 37.58 2ken h ASN 88 CO -0.01 0.00 0.25 -0.44 -1.06 0.00 0.00 177.43 176.16 2ken s SER 89 N -5.48 5.32 0.14 5.81 0.01 -0.69 -4.85 113.70 113.96 2ken s SER 89 Ca 0.00 0.73 -0.06 0.00 1.31 0.00 0.00 55.95 57.93 2ken s SER 89 Cb 0.10 -1.58 -0.02 0.00 0.21 0.00 0.00 66.02 64.73 2ken s SER 89 CO 0.50 -1.29 0.19 -0.94 0.41 0.00 0.00 173.24 172.12 2ken s SER 90 N -4.38 0.15 -0.13 2.44 1.04 -0.89 -4.80 113.70 107.12 2ken s SER 90 Ca 0.57 -0.94 -0.12 0.00 0.48 0.00 0.00 55.95 55.94 2ken s SER 90 Cb -0.11 0.37 0.03 0.00 0.10 0.00 0.00 66.02 66.42 2ken s SER 90 CO 0.46 -0.81 0.34 -0.63 0.98 0.00 0.00 173.24 173.58 2ken s ILE 91 N -3.97 -0.00 0.01 -1.02 1.01 -1.26 -2.76 121.20 113.21 2ken s ILE 91 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.85 2ken s ILE 91 Cb 0.05 -0.48 -0.01 0.00 0.01 0.00 0.00 42.46 42.03 2ken s ILE 91 CO -0.02 0.00 -0.09 -1.83 0.00 0.00 0.00 174.94 173.01 2ken s GLU 92 N 0.21 0.67 0.31 2.79 -1.05 -1.15 -4.95 118.70 115.53 2ken s GLU 92 Ca -0.00 -0.47 -0.29 0.00 -0.15 0.00 0.00 54.97 54.06 2ken s GLU 92 Cb -0.03 -0.61 -0.10 0.00 -0.44 0.00 0.00 34.13 32.96 2ken s GLU 92 CO 0.00 0.16 1.14 0.15 0.95 0.00 0.00 175.26 177.65 2ken s LYS 93 N -0.67 4.52 0.06 -4.83 1.02 -1.26 -1.46 119.74 117.12 2ken s LYS 93 Ca 0.00 1.86 0.05 0.00 0.02 0.00 0.00 55.97 57.90 2ken s LYS 93 Cb -0.05 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 2ken s LYS 93 CO 0.00 0.08 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.93 2ken s LEU 94 N -1.66 3.14 0.00 3.17 1.43 -1.09 -4.89 118.68 118.78 2ken s LEU 94 Ca 0.47 -0.27 0.21 0.00 -1.03 0.00 0.00 54.13 53.51 2ken s LEU 94 Cb -0.33 -1.88 0.53 0.00 0.03 0.00 0.00 46.19 44.55 2ken s LEU 94 CO 0.42 0.22 1.45 -1.54 0.23 0.00 0.00 176.35 177.12 2ken n SER 95 N 1.01 2.84 -3.99 2.29 3.41 -1.26 -4.42 113.62 113.51 2ken n SER 95 Ca -0.14 -1.92 -0.31 0.00 -0.26 0.00 0.00 58.87 56.24 2ken n SER 95 Cb 0.52 -0.24 -0.13 0.00 -0.26 0.00 0.00 64.21 64.10 2ken n SER 95 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2ken s GLU 96 N -1.52 1.99 0.95 4.33 2.02 -1.26 -5.10 118.70 120.11 2ken s GLU 96 Ca 0.37 -2.46 -0.12 0.00 0.02 0.00 0.00 54.97 52.77 2ken s GLU 96 Cb 0.20 -3.38 0.08 0.00 0.10 0.00 0.00 34.13 31.14 2ken s GLU 96 CO 0.29 -1.09 0.66 -2.30 0.02 0.00 0.00 175.26 172.83 2ken n PRO 97 N 3.40 -0.43 -4.29 0.39 -0.02 -1.26 -4.91 135.00 127.89 2ken n PRO 97 Ca 0.05 -0.08 -0.35 0.00 -2.02 0.00 0.00 63.50 61.10 2ken n PRO 97 Cb 0.35 -2.03 -0.09 0.00 -0.02 0.00 0.00 33.50 31.71 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 -2.47 4.50 0.02 4.25 1.09 -1.26 -5.07 121.20 122.26 2ken s ILE 98 Ca 0.60 -0.17 -0.30 0.00 -1.10 0.00 0.00 60.65 59.68 2ken s ILE 98 Cb -0.22 -2.91 -0.06 0.00 -1.06 0.00 0.00 42.46 38.22 2ken s ILE 98 CO 0.64 0.60 1.36 -0.70 -0.10 0.00 0.00 174.94 176.74 2ken s GLU 99 N -0.81 4.31 0.00 2.79 2.56 -1.26 -4.87 118.70 121.43 2ken s GLU 99 Ca 0.12 1.94 0.10 0.00 0.00 0.00 0.00 54.97 57.14 2ken s GLU 99 Cb -0.12 -3.49 0.13 0.00 2.00 0.00 0.00 34.13 32.66 2ken s GLU 99 CO 0.02 -0.50 0.93 1.33 -0.56 0.00 0.00 175.26 176.48 2ken n VAL 100 N 4.45 0.25 -3.34 3.70 0.24 -1.26 -4.55 118.33 117.81 2ken n VAL 100 Ca 0.12 -0.62 -0.10 0.00 -2.04 0.00 0.00 64.34 61.70 2ken n VAL 100 Cb 0.44 1.04 -0.08 0.00 -1.47 0.00 0.00 33.84 33.78 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 -0.91 -0.44 -0.60 7.63 0.00 -1.26 -5.10 107.32 106.64 2ken s GLY 101 Ca 0.15 0.60 -0.22 0.00 0.00 0.00 0.00 44.72 45.25 2ken s GLY 101 CO 0.14 2.77 0.87 0.48 0.00 0.00 0.00 173.10 177.36 2ken s LEU 102 N 2.53 4.53 -0.85 0.66 2.34 -1.26 -4.95 118.68 121.68 2ken s LEU 102 Ca 0.11 -0.88 -0.27 0.00 0.06 0.00 0.00 54.13 53.15 2ken s LEU 102 Cb -0.14 -2.51 -0.18 0.00 -0.56 0.00 0.00 46.19 42.79 2ken s LEU 102 CO -0.21 -1.27 2.56 -0.62 -1.06 0.00 0.00 176.35 175.75 2ken n GLU 103 N 7.24 0.32 -0.18 1.48 4.71 -1.26 -4.75 120.64 128.21 2ken n GLU 103 Ca -0.04 -0.04 -0.09 0.00 -0.01 0.00 0.00 57.16 56.98 2ken n GLU 103 Cb 0.45 -2.11 0.01 0.00 -1.01 0.00 0.00 31.44 28.79 2ken n GLU 103 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2ken h HIS 104 N 14.13 0.97 0.00 -0.32 2.76 -2.06 -3.44 115.15 127.18 2ken h HIS 104 Ca -0.09 -0.16 0.00 0.00 -2.20 0.00 0.00 60.37 57.92 2ken h HIS 104 Cb 1.27 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.97 2ken h HIS 104 CO 1.08 0.89 0.00 1.58 -1.30 0.00 0.00 177.93 180.18 2ken n HIS 105 N -4.33 -2.97 0.00 5.26 -0.00 -1.26 -5.05 115.22 106.87 2ken n HIS 105 Ca 0.01 0.75 0.00 0.00 -0.00 0.00 0.00 57.72 58.48 2ken n HIS 105 Cb 0.30 1.82 0.00 0.00 -0.00 0.00 0.00 29.99 32.11 2ken n HIS 105 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ken n HIS 106 N -3.18 0.00 -2.90 1.57 -0.00 -1.26 -2.28 115.22 107.17 2ken n HIS 106 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.58 2ken n HIS 106 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.00 2ken n HIS 106 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2ken n HIS 107 N 0.00 -2.32 -0.14 4.41 -0.00 -1.26 -4.98 115.22 110.93 2ken n HIS 107 Ca 0.00 -2.38 -0.10 0.00 -0.00 0.00 0.00 57.72 55.24 2ken n HIS 107 Cb 0.00 0.91 -0.01 0.00 -0.00 0.00 0.00 29.99 30.88 2ken n HIS 107 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2ken h HIS 108 N 3.99 0.78 0.00 1.57 2.76 -1.87 -3.55 115.15 118.83 2ken h HIS 108 Ca -0.07 -0.14 0.00 0.00 -2.20 0.00 0.00 60.37 57.96 2ken h HIS 108 Cb 0.98 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.74 2ken h HIS 108 CO 0.14 0.79 0.00 -2.39 -1.30 0.00 0.00 177.93 175.17