#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 0.58 -1.65 0.03 0.28 -1.26 -4.97 120.64 113.65 2ken n GLU 2 Ca 0.00 0.27 -0.33 0.00 -0.16 0.00 0.00 57.16 56.94 2ken n GLU 2 Cb 0.00 -2.47 0.06 0.00 1.43 0.00 0.00 31.44 30.46 2ken n GLU 2 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2ken s PRO 3 N -3.77 2.66 -0.34 3.44 0.04 -1.26 -4.97 135.00 130.80 2ken s PRO 3 Ca 0.77 1.38 -0.28 0.00 0.04 0.00 0.00 61.00 62.91 2ken s PRO 3 Cb -0.33 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.29 2ken s PRO 3 CO 0.46 -1.36 1.05 -1.14 0.04 0.00 0.00 177.00 176.05 2ken s GLN 4 N -4.21 4.01 -0.08 4.56 0.74 -1.26 -5.01 119.66 118.41 2ken s GLN 4 Ca 0.67 0.95 -0.20 0.00 0.05 0.00 0.00 55.36 56.83 2ken s GLN 4 Cb -0.21 -3.76 -0.04 0.00 1.10 0.00 0.00 33.01 30.10 2ken s GLN 4 CO 0.44 -0.94 0.55 -0.51 -0.55 0.00 0.00 175.29 174.28 2ken s LEU 5 N 3.68 4.32 0.01 3.68 1.43 -1.26 -1.89 118.68 128.65 2ken s LEU 5 Ca 0.44 0.99 0.07 0.00 -1.03 0.00 0.00 54.13 54.60 2ken s LEU 5 Cb -0.12 -2.83 -0.02 0.00 0.03 0.00 0.00 46.19 43.25 2ken s LEU 5 CO 0.17 0.01 -0.22 -0.89 0.23 0.00 0.00 176.35 175.65 2ken s THR 6 N 0.43 1.72 0.18 5.49 2.01 -0.76 -4.93 115.64 119.78 2ken s THR 6 Ca 0.30 -1.06 -0.07 0.00 0.31 0.00 0.00 61.69 61.17 2ken s THR 6 Cb -0.16 -1.46 -0.06 0.00 0.01 0.00 0.00 72.50 70.82 2ken s THR 6 CO 0.14 0.37 0.46 -0.54 -0.69 0.00 0.00 174.62 174.36 2ken s LYS 7 N -0.80 3.71 0.22 4.92 1.02 -1.26 -4.71 119.74 122.83 2ken s LYS 7 Ca 0.08 0.09 -0.08 0.00 0.02 0.00 0.00 55.97 56.08 2ken s LYS 7 Cb -0.09 -2.76 0.27 0.00 -0.52 0.00 0.00 37.83 34.74 2ken s LYS 7 CO 0.00 0.40 1.80 0.82 -0.92 0.00 0.00 175.35 177.46 2ken h ILE 8 N 2.05 0.94 0.00 2.17 2.04 -1.96 0.44 117.51 123.19 2ken h ILE 8 Ca -0.46 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2ken h ILE 8 Cb 1.17 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2ken h ILE 8 CO 0.71 0.12 0.00 0.55 0.00 0.00 0.00 178.15 179.53 2ken n VAL 9 N -4.79 0.97 0.12 1.67 3.14 -1.26 -0.58 118.33 117.59 2ken n VAL 9 Ca 0.09 0.24 0.11 0.00 -2.96 0.00 0.00 64.34 61.82 2ken n VAL 9 Cb 0.20 -1.17 0.22 0.00 -1.06 0.00 0.00 33.84 32.03 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 -1.29 3.42 -4.59 6.55 2.03 0.15 -4.90 116.55 117.94 2ken n ASP 10 Ca 0.02 -1.96 -0.43 0.00 0.52 0.00 0.00 54.79 52.94 2ken n ASP 10 Cb 0.04 -0.28 -0.04 0.00 -0.72 0.00 0.00 41.12 40.12 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 -1.30 4.55 0.00 5.18 -1.09 0.25 -4.73 121.20 124.06 2ken s ILE 11 Ca 0.38 0.99 0.00 0.00 -2.23 0.00 0.00 60.65 59.78 2ken s ILE 11 Cb 0.21 -4.36 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 2ken s ILE 11 CO 0.29 -0.65 0.13 1.33 -1.23 0.00 0.00 174.94 174.81 2ken n VAL 12 N 6.14 0.00 -4.29 2.92 0.24 -1.26 -5.06 118.33 117.02 2ken n VAL 12 Ca 0.06 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.15 2ken n VAL 12 Cb 0.48 0.77 -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 1.04 0.47 7.34 2.12 -1.26 -5.15 118.70 123.26 2ken s GLU 13 Ca 0.00 -0.20 -0.04 0.00 0.36 0.00 0.00 54.97 55.09 2ken s GLU 13 Cb 0.00 -0.96 -0.04 0.00 0.26 0.00 0.00 34.13 33.39 2ken s GLU 13 CO 0.00 -0.03 0.76 0.54 -0.54 0.00 0.00 175.26 175.98 2ken s ASN 14 N 0.77 6.26 -1.37 -1.70 2.20 -1.26 -3.99 114.94 115.84 2ken s ASN 14 Ca -0.12 0.87 0.00 0.00 -0.94 0.00 0.00 52.86 52.67 2ken s ASN 14 Cb -0.14 -2.21 0.00 0.00 -2.00 0.00 0.00 41.25 36.89 2ken s ASN 14 CO 0.01 -0.55 0.00 0.61 -2.94 0.00 0.00 177.10 174.23 2ken n GLY 15 N -2.21 1.29 3.83 0.45 0.00 0.17 -4.91 105.19 103.81 2ken n GLY 15 Ca -0.00 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.21 3.91 -0.19 1.61 0.74 -1.26 -4.76 119.66 116.50 2ken s GLN 16 Ca 0.00 0.32 -0.15 0.00 0.05 0.00 0.00 55.36 55.58 2ken s GLN 16 Cb 0.00 -3.25 -0.04 0.00 1.10 0.00 0.00 33.01 30.82 2ken s GLN 16 CO 0.00 0.63 0.37 -1.58 -0.55 0.00 0.00 175.29 174.16 2ken s TRP 17 N -0.84 3.40 0.37 1.67 0.52 -1.26 -2.00 118.94 120.80 2ken s TRP 17 Ca 0.22 0.61 -0.13 0.00 0.02 0.00 0.00 56.10 56.82 2ken s TRP 17 Cb -0.16 -2.47 0.05 0.00 -1.15 0.00 0.00 33.47 29.74 2ken s TRP 17 CO 0.11 0.06 0.74 0.00 0.02 0.00 0.00 176.95 177.88 2ken n ALA 18 N 4.20 -1.62 -2.49 0.98 0.00 -1.04 -4.99 120.51 115.56 2ken n ALA 18 Ca -0.09 -1.23 -0.25 0.00 0.00 0.00 0.00 53.44 51.87 2ken n ALA 18 Cb 0.51 0.98 -0.15 0.00 0.00 0.00 0.00 19.45 20.79 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 -2.98 2.10 0.01 0.00 0.01 -0.79 -2.54 114.94 110.75 2ken s ASN 19 Ca 0.16 -0.33 0.01 0.00 -0.71 0.00 0.00 52.86 51.98 2ken s ASN 19 Cb -0.04 -0.23 -0.01 0.00 0.41 0.00 0.00 41.25 41.38 2ken s ASN 19 CO 0.12 0.21 -0.03 -0.76 -1.51 0.00 0.00 177.10 175.13 2ken s LEU 20 N -0.47 2.09 -0.05 0.60 1.02 -0.38 -1.83 118.68 119.67 2ken s LEU 20 Ca 0.07 -0.22 0.05 0.00 0.02 0.00 0.00 54.13 54.05 2ken s LEU 20 Cb -0.07 -0.07 -0.01 0.00 0.02 0.00 0.00 46.19 46.06 2ken s LEU 20 CO -0.01 -0.08 -0.21 -0.75 0.02 0.00 0.00 176.35 175.33 2ken s LYS 21 N -0.59 2.07 0.03 1.70 2.20 -1.26 -1.12 119.74 122.76 2ken s LYS 21 Ca -0.05 -0.74 -0.09 0.00 -0.36 0.00 0.00 55.97 54.74 2ken s LYS 21 Cb -0.04 -1.79 0.03 0.00 -1.51 0.00 0.00 37.83 34.52 2ken s LYS 21 CO -0.00 0.32 0.43 0.00 -0.36 0.00 0.00 175.35 175.74 2ken n ALA 22 N 3.01 -1.18 -2.63 3.13 0.00 -1.08 -4.93 120.51 116.82 2ken n ALA 22 Ca -0.18 -0.34 -0.29 0.00 0.00 0.00 0.00 53.44 52.63 2ken n ALA 22 Cb 0.53 0.13 -0.09 0.00 0.00 0.00 0.00 19.45 20.02 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 2.32 -0.79 0.00 2.20 -1.09 -1.50 119.74 118.87 2ken s LYS 23 Ca 0.10 -0.98 -0.25 0.00 -0.36 0.00 0.00 55.97 54.48 2ken s LYS 23 Cb -0.01 -2.39 0.05 0.00 -1.51 0.00 0.00 37.83 33.97 2ken s LYS 23 CO 0.01 0.51 1.24 0.08 -0.36 0.00 0.00 175.35 176.83 2ken s VAL 24 N -1.36 3.94 0.34 4.02 1.01 -1.13 0.12 120.40 127.33 2ken s VAL 24 Ca 0.24 -0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.19 2ken s VAL 24 Cb -0.11 -4.90 0.10 0.00 0.00 0.00 0.00 36.38 31.48 2ken s VAL 24 CO 0.16 -1.78 1.81 -0.29 0.00 0.00 0.00 175.10 175.00 2ken h ILE 25 N 6.17 1.24 -2.96 2.22 6.09 -1.79 -2.74 117.51 125.74 2ken h ILE 25 Ca -0.16 -1.13 -0.18 0.00 -1.37 0.00 0.00 64.86 62.02 2ken h ILE 25 Cb 1.04 1.40 -0.29 0.00 0.47 0.00 0.00 36.82 39.44 2ken h ILE 25 CO 1.28 0.35 -0.46 -1.10 -3.07 0.00 0.00 178.15 175.15 2ken s GLN 26 N -4.48 0.23 0.08 2.19 -0.21 -1.23 -4.87 119.66 111.37 2ken s GLN 26 Ca -0.05 0.58 0.08 0.00 0.02 0.00 0.00 55.36 55.99 2ken s GLN 26 Cb 0.14 -0.10 -0.04 0.00 1.00 0.00 0.00 33.01 34.01 2ken s GLN 26 CO 0.76 -0.17 -0.19 -1.17 -2.12 0.00 0.00 175.29 172.40 2ken s LEU 27 N 1.32 2.60 -0.14 2.90 2.96 -1.26 -2.09 118.68 124.97 2ken s LEU 27 Ca -0.09 -0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 53.26 2ken s LEU 27 Cb -0.10 -1.49 0.06 0.00 0.50 0.00 0.00 46.19 45.16 2ken s LEU 27 CO -0.09 0.22 0.17 0.26 -1.32 0.00 0.00 176.35 175.58 2ken s TRP 28 N -1.02 -0.16 0.14 5.38 0.52 -0.69 -4.99 118.94 118.12 2ken s TRP 28 Ca 0.16 0.36 -0.31 0.00 0.02 0.00 0.00 56.10 56.33 2ken s TRP 28 Cb -0.10 -0.35 -0.08 0.00 -1.15 0.00 0.00 33.47 31.78 2ken s TRP 28 CO 0.07 -0.41 1.35 -1.21 0.02 0.00 0.00 176.95 176.77 2ken s GLU 29 N 2.28 4.35 -0.20 4.98 2.02 -1.26 -2.54 118.70 128.33 2ken s GLU 29 Ca 0.04 2.05 -0.02 0.00 0.02 0.00 0.00 54.97 57.06 2ken s GLU 29 Cb -0.14 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 30.86 2ken s GLU 29 CO -0.08 -0.36 -0.11 1.21 0.02 0.00 0.00 175.26 175.94 2ken s ASN 30 N 0.82 3.83 0.00 -0.19 2.47 -1.09 -4.93 114.94 115.85 2ken s ASN 30 Ca 0.61 -0.49 0.10 0.00 0.42 0.00 0.00 52.86 53.51 2ken s ASN 30 Cb -0.36 -1.63 0.26 0.00 -1.45 0.00 0.00 41.25 38.06 2ken s ASN 30 CO 0.33 -0.01 1.18 0.35 -3.72 0.00 0.00 177.10 175.23 2ken n THR 31 N 4.69 0.83 0.00 -5.21 -2.24 -1.26 -4.55 114.28 106.54 2ken n THR 31 Ca -0.19 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.67 2ken n THR 31 Cb 0.51 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 2ken n THR 31 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2ken n HIS 32 N 0.51 0.00 0.00 4.78 8.25 -1.26 -4.76 115.22 122.74 2ken n HIS 32 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 2ken n HIS 32 Cb 0.39 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.50 2ken n HIS 32 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2ken n GLU 33 N -0.98 0.00 -2.70 -0.41 0.00 -1.26 -4.81 120.64 110.47 2ken n GLU 33 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.74 2ken n GLU 33 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.42 2ken n GLU 33 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 2ken s SER 34 N 0.00 6.64 0.00 4.31 1.04 -1.26 -4.74 113.70 119.68 2ken s SER 34 Ca 0.00 -1.90 0.00 0.00 0.48 0.00 0.00 55.95 54.53 2ken s SER 34 Cb 0.00 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2ken s SER 34 CO 0.00 -1.27 0.00 -0.38 0.98 0.00 0.00 173.24 172.57 2ken n ILE 35 N 6.22 0.00 -0.06 -1.02 5.41 -1.26 -4.93 119.36 123.71 2ken n ILE 35 Ca 0.33 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 64.04 2ken n ILE 35 Cb 0.49 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.39 2ken n ILE 35 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 2ken h SER 36 N 0.00 0.00 -5.01 4.38 0.87 -0.60 -3.41 113.55 109.79 2ken h SER 36 Ca 0.00 -0.19 0.02 0.00 -1.23 0.00 0.00 61.79 60.39 2ken h SER 36 Cb 0.00 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 61.88 2ken h SER 36 CO 0.00 0.66 0.21 0.00 -0.53 0.00 0.00 176.83 177.17 2ken s GLN 37 N -1.79 1.54 0.05 2.24 -2.07 -1.21 -2.66 119.66 115.75 2ken s GLN 37 Ca -0.06 -0.75 0.00 0.00 -1.82 0.00 0.00 55.36 52.73 2ken s GLN 37 Cb -0.00 0.60 -0.03 0.00 -1.09 0.00 0.00 33.01 32.48 2ken s GLN 37 CO 0.17 -0.69 -0.04 0.54 -1.32 0.00 0.00 175.29 173.95 2ken s VAL 38 N -3.84 0.30 -0.58 3.63 0.11 -1.05 -1.90 120.40 117.06 2ken s VAL 38 Ca 0.06 -1.40 0.00 0.00 -2.93 0.00 0.00 61.98 57.72 2ken s VAL 38 Cb -0.03 -0.96 0.00 0.00 -1.53 0.00 0.00 36.38 33.86 2ken s VAL 38 CO -0.03 -0.71 0.00 0.61 -3.33 0.00 0.00 175.10 171.65 2ken n GLY 39 N 0.83 -0.66 3.12 6.54 0.00 -1.10 -1.70 105.19 112.21 2ken n GLY 39 Ca -0.19 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 2.39 -0.17 0.99 1.02 -0.89 -2.19 118.68 119.83 2ken s LEU 40 Ca 0.00 -0.79 -0.03 0.00 0.02 0.00 0.00 54.13 53.33 2ken s LEU 40 Cb 0.00 -0.11 -0.02 0.00 0.02 0.00 0.00 46.19 46.08 2ken s LEU 40 CO 0.00 -0.34 -0.05 -0.76 0.02 0.00 0.00 176.35 175.22 2ken s LEU 41 N -2.34 3.10 -0.50 1.79 1.43 0.14 -2.47 118.68 119.84 2ken s LEU 41 Ca 0.01 -0.21 -0.19 0.00 -1.03 0.00 0.00 54.13 52.70 2ken s LEU 41 Cb -0.02 -1.75 0.05 0.00 0.03 0.00 0.00 46.19 44.51 2ken s LEU 41 CO -0.02 0.13 0.64 -0.83 0.23 0.00 0.00 176.35 176.49 2ken s GLY 42 N 0.61 1.76 0.38 -3.19 0.00 0.33 -2.61 107.32 104.60 2ken s GLY 42 Ca -0.03 -1.68 0.08 0.00 0.00 0.00 0.00 44.72 43.08 2ken s GLY 42 CO 0.03 1.49 0.17 -0.35 0.00 0.00 0.00 173.10 174.43 2ken s ASP 43 N 2.63 4.52 0.38 1.64 2.15 0.02 -2.66 116.67 125.35 2ken s ASP 43 Ca 0.16 -0.96 0.28 0.00 0.43 0.00 0.00 52.55 52.46 2ken s ASP 43 Cb -0.19 -0.56 1.01 0.00 -0.30 0.00 0.00 42.92 42.88 2ken s ASP 43 CO 0.13 -0.45 1.81 -0.08 -0.17 0.00 0.00 175.17 176.41 2ken h GLU 44 N 1.47 0.00 0.00 4.34 4.81 -1.94 -2.75 114.58 120.51 2ken h GLU 44 Ca -0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 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 0.67 0.00 -0.80 0.25 -0.73 0.00 0.00 179.01 178.40 2ken n THR 45 N -2.67 0.09 0.00 0.32 -2.24 -1.26 -4.82 114.28 103.71 2ken n THR 45 Ca 0.02 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2ken n THR 45 Cb 0.33 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 1.44 0.00 3.18 3.38 0.00 -1.04 -4.71 105.19 107.44 2ken n GLY 46 Ca 0.04 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 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 0.71 -0.07 -0.61 -5.25 -1.26 -0.80 121.20 109.92 2ken s ILE 47 Ca 0.00 -1.95 -0.20 0.00 -0.99 0.00 0.00 60.65 57.51 2ken s ILE 47 Cb 0.00 -1.75 0.04 0.00 2.95 0.00 0.00 42.46 43.70 2ken s ILE 47 CO 0.00 -0.81 0.47 -0.51 -1.79 0.00 0.00 174.94 172.30 2ken s ILE 48 N -3.62 0.03 0.67 8.37 2.07 -1.07 -4.95 121.20 122.69 2ken s ILE 48 Ca 0.14 -0.21 -0.10 0.00 -1.41 0.00 0.00 60.65 59.06 2ken s ILE 48 Cb 0.05 -0.75 0.00 0.00 0.13 0.00 0.00 42.46 41.89 2ken s ILE 48 CO -0.03 -0.12 1.05 -0.75 -1.91 0.00 0.00 174.94 173.18 2ken s LYS 49 N -0.90 3.01 -0.04 3.50 2.20 -1.26 -0.68 119.74 125.57 2ken s LYS 49 Ca -0.09 0.44 -0.30 0.00 -0.36 0.00 0.00 55.97 55.65 2ken s LYS 49 Cb -0.03 -2.08 0.07 0.00 -1.51 0.00 0.00 37.83 34.29 2ken s LYS 49 CO 0.05 -0.88 0.69 -0.59 -0.36 0.00 0.00 175.35 174.26 2ken s PHE 50 N -3.26 -0.63 -0.02 4.03 -0.71 -0.93 -2.40 117.98 114.05 2ken s PHE 50 Ca 0.57 1.02 0.00 0.00 -1.04 0.00 0.00 56.93 57.48 2ken s PHE 50 Cb -0.11 0.43 0.02 0.00 -1.21 0.00 0.00 43.02 42.15 2ken s PHE 50 CO 0.51 -0.61 -0.00 -0.08 -1.34 0.00 0.00 175.22 173.70 2ken s THR 51 N -1.42 0.12 -0.18 -4.49 -1.32 -0.63 -2.70 115.64 105.03 2ken s THR 51 Ca -0.09 0.06 -0.06 0.00 -1.21 0.00 0.00 61.69 60.38 2ken s THR 51 Cb -0.00 -0.19 -0.04 0.00 -1.51 0.00 0.00 72.50 70.76 2ken s THR 51 CO 0.07 0.10 0.03 -0.63 -2.21 0.00 0.00 174.62 171.99 2ken s ILE 52 N 0.69 4.54 0.19 5.08 1.01 -0.80 -1.72 121.20 130.18 2ken s ILE 52 Ca -0.07 -0.12 -0.28 0.00 0.00 0.00 0.00 60.65 60.18 2ken s ILE 52 Cb -0.09 -3.03 -0.08 0.00 0.01 0.00 0.00 42.46 39.26 2ken s ILE 52 CO -0.01 0.47 0.86 0.26 0.00 0.00 0.00 174.94 176.52 2ken s TRP 53 N 0.38 3.93 0.42 3.97 0.52 -1.08 0.06 118.94 127.14 2ken s TRP 53 Ca 0.01 1.77 0.10 0.00 0.02 0.00 0.00 56.10 58.00 2ken s TRP 53 Cb -0.13 -2.89 0.91 0.00 -1.15 0.00 0.00 33.47 30.22 2ken s TRP 53 CO 0.01 0.46 2.00 -0.22 0.02 0.00 0.00 176.95 179.22 2ken h LYS 54 N 4.41 0.25 0.00 4.98 3.64 -1.85 -0.86 116.57 127.14 2ken h LYS 54 Ca -0.46 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2ken h LYS 54 Cb 1.20 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2ken h LYS 54 CO 0.68 0.29 0.00 0.09 -2.27 0.00 0.00 179.45 178.23 2ken n ASN 55 N -4.38 0.05 0.16 4.20 3.02 -1.26 -0.66 115.26 116.39 2ken n ASN 55 Ca -0.00 0.52 0.08 0.00 -0.03 0.00 0.00 54.58 55.15 2ken n ASN 55 Cb 0.18 -0.53 0.08 0.00 -0.61 0.00 0.00 39.78 38.90 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 2.10 0.78 -6.55 5.41 0.00 -1.47 -3.43 119.26 116.10 2ken h ALA 56 Ca 0.00 -0.20 -0.51 0.00 0.00 0.00 0.00 54.91 54.20 2ken h ALA 56 Cb 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 2ken h ALA 56 CO 0.00 0.25 -0.88 0.39 0.00 0.00 0.00 179.25 179.01 2ken n GLU 57 N -3.03 -3.18 -4.02 0.00 1.02 0.17 -4.75 120.64 106.83 2ken n GLU 57 Ca 0.01 0.39 -0.29 0.00 -0.02 0.00 0.00 57.16 57.26 2ken n GLU 57 Cb 0.62 -4.54 -0.05 0.00 -0.02 0.00 0.00 31.44 27.44 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 -7.02 3.99 0.50 -4.62 1.43 -1.26 -5.08 118.68 106.62 2ken s LEU 58 Ca 0.08 0.03 -0.21 0.00 -1.03 0.00 0.00 54.13 53.00 2ken s LEU 58 Cb -0.04 -2.61 -0.08 0.00 0.03 0.00 0.00 46.19 43.48 2ken s LEU 58 CO 0.90 0.12 0.95 -2.65 0.23 0.00 0.00 176.35 175.90 2ken n PRO 59 N 0.03 1.12 -2.24 1.29 -0.02 -1.26 -4.93 135.00 128.99 2ken n PRO 59 Ca -0.08 0.41 -0.39 0.00 -2.02 0.00 0.00 63.50 61.43 2ken n PRO 59 Cb 0.53 -2.07 -0.02 0.00 -0.02 0.00 0.00 33.50 31.92 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 -0.99 4.27 0.26 2.45 1.43 -1.26 -5.00 118.68 119.83 2ken s LEU 60 Ca 0.68 2.45 -0.24 0.00 -1.03 0.00 0.00 54.13 55.99 2ken s LEU 60 Cb -0.49 -3.90 -0.09 0.00 0.03 0.00 0.00 46.19 41.74 2ken s LEU 60 CO 0.53 -0.63 0.84 -0.76 0.23 0.00 0.00 176.35 176.56 2ken s LEU 61 N -2.27 4.41 -0.11 1.79 1.02 -1.26 -5.04 118.68 117.22 2ken s LEU 61 Ca 0.54 1.67 -0.16 0.00 0.02 0.00 0.00 54.13 56.20 2ken s LEU 61 Cb -0.33 -3.71 -0.05 0.00 0.02 0.00 0.00 46.19 42.11 2ken s LEU 61 CO 0.43 0.03 0.41 -1.61 0.02 0.00 0.00 176.35 175.63 2ken s GLU 62 N -1.80 4.23 0.30 1.70 0.41 -1.26 -5.05 118.70 117.23 2ken s GLU 62 Ca 0.45 0.34 -0.29 0.00 -0.41 0.00 0.00 54.97 55.05 2ken s GLU 62 Cb -0.19 -3.39 -0.10 0.00 -1.78 0.00 0.00 34.13 28.67 2ken s GLU 62 CO 0.24 0.29 1.25 -1.14 -0.49 0.00 0.00 175.26 175.41 2ken s GLN 63 N 0.24 4.44 0.00 1.61 0.74 -1.26 -2.51 119.66 122.92 2ken s GLN 63 Ca 0.23 2.08 0.00 0.00 0.05 0.00 0.00 55.36 57.72 2ken s GLN 63 Cb -0.15 -3.12 0.00 0.00 1.10 0.00 0.00 33.01 30.84 2ken s GLN 63 CO 0.09 -0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.15 2ken n GLY 64 N 1.15 2.39 3.94 2.59 0.00 -1.03 -5.00 105.19 109.23 2ken n GLY 64 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.26 3.49 0.23 1.61 0.41 -1.04 -4.83 118.70 118.31 2ken s GLU 65 Ca 0.00 -0.41 -0.17 0.00 -0.41 0.00 0.00 54.97 53.97 2ken s GLU 65 Cb 0.00 -2.75 -0.08 0.00 -1.78 0.00 0.00 34.13 29.52 2ken s GLU 65 CO 0.00 0.27 0.69 -1.54 -0.49 0.00 0.00 175.26 174.19 2ken s SER 66 N -3.78 6.94 0.01 -0.19 1.04 -1.26 -2.85 113.70 113.61 2ken s SER 66 Ca 0.38 1.32 -0.03 0.00 0.48 0.00 0.00 55.95 58.10 2ken s SER 66 Cb -0.10 -2.38 -0.01 0.00 0.10 0.00 0.00 66.02 63.63 2ken s SER 66 CO 0.33 -0.02 0.05 -0.31 0.98 0.00 0.00 173.24 174.27 2ken s TYR 67 N -1.63 0.13 -0.15 5.02 2.02 -0.56 -2.76 117.35 119.41 2ken s TYR 67 Ca 0.45 -0.29 -0.05 0.00 -0.37 0.00 0.00 57.07 56.82 2ken s TYR 67 Cb -0.15 -0.11 -0.03 0.00 -0.40 0.00 0.00 41.96 41.27 2ken s TYR 67 CO 0.20 -0.21 -0.00 -1.17 -1.57 0.00 0.00 175.55 172.80 2ken s LEU 68 N -1.25 3.47 -0.28 -1.29 2.96 -0.30 -2.65 118.68 119.34 2ken s LEU 68 Ca -0.14 -0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 53.74 2ken s LEU 68 Cb -0.08 -1.84 0.05 0.00 0.50 0.00 0.00 46.19 44.82 2ken s LEU 68 CO 0.00 0.20 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.43 2ken s LEU 69 N 0.18 3.60 0.16 -0.68 1.43 -0.27 -2.43 118.68 120.66 2ken s LEU 69 Ca 0.00 -1.21 0.09 0.00 -1.03 0.00 0.00 54.13 51.99 2ken s LEU 69 Cb -0.13 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 2ken s LEU 69 CO 0.02 -0.21 -0.14 -0.13 0.23 0.00 0.00 176.35 176.12 2ken s ARG 70 N 1.23 1.91 -1.21 1.70 0.52 -1.05 -1.24 118.95 120.81 2ken s ARG 70 Ca -0.05 -1.27 -0.13 0.00 -0.52 0.00 0.00 55.73 53.75 2ken s ARG 70 Cb -0.19 -2.11 -0.01 0.00 0.52 0.00 0.00 34.95 33.16 2ken s ARG 70 CO -0.03 0.44 0.71 -1.13 0.02 0.00 0.00 175.30 175.31 2ken n SER 71 N 0.30 -3.78 -4.73 0.23 3.41 -1.25 -2.23 113.62 105.56 2ken n SER 71 Ca -0.12 -0.98 -0.24 0.00 -0.26 0.00 0.00 58.87 57.27 2ken n SER 71 Cb 0.55 -3.47 -0.07 0.00 -0.26 0.00 0.00 64.21 60.96 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 -3.59 2.66 0.13 -3.33 -7.23 -1.05 -3.76 120.40 104.23 2ken s VAL 72 Ca 0.32 -1.71 0.08 0.00 -1.81 0.00 0.00 61.98 58.85 2ken s VAL 72 Cb -0.11 -2.96 -0.04 0.00 0.56 0.00 0.00 36.38 33.83 2ken s VAL 72 CO 0.86 -0.10 -0.18 0.54 -0.31 0.00 0.00 175.10 175.90 2ken s VAL 73 N -2.51 1.67 -0.11 1.32 0.11 -1.19 -2.49 120.40 117.20 2ken s VAL 73 Ca 0.39 -1.70 -0.17 0.00 -2.93 0.00 0.00 61.98 57.57 2ken s VAL 73 Cb 0.00 -1.64 -0.05 0.00 -1.53 0.00 0.00 36.38 33.17 2ken s VAL 73 CO 0.22 -0.22 0.42 -0.69 -3.33 0.00 0.00 175.10 171.51 2ken s VAL 74 N -1.66 5.19 0.05 2.04 1.01 -0.85 -1.07 120.40 125.12 2ken s VAL 74 Ca 0.10 0.84 0.01 0.00 0.00 0.00 0.00 61.98 62.93 2ken s VAL 74 Cb -0.08 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2ken s VAL 74 CO 0.05 0.38 0.12 -0.83 0.00 0.00 0.00 175.10 174.82 2ken s GLY 75 N 0.34 2.08 -0.45 4.51 0.00 0.16 0.47 107.32 114.43 2ken s GLY 75 Ca 0.23 -0.91 -0.17 0.00 0.00 0.00 0.00 44.72 43.87 2ken s GLY 75 CO 0.09 -0.86 0.45 1.85 0.00 0.00 0.00 173.10 174.64 2ken s GLU 76 N -2.22 3.05 -0.37 2.90 2.12 -1.26 -2.34 118.70 120.58 2ken s GLU 76 Ca 0.29 -0.99 -0.09 0.00 0.36 0.00 0.00 54.97 54.54 2ken s GLU 76 Cb -0.12 -4.05 0.04 0.00 0.26 0.00 0.00 34.13 30.26 2ken s GLU 76 CO 0.21 -0.98 0.17 -0.47 -0.54 0.00 0.00 175.26 173.66 2ken s TYR 77 N 2.05 3.27 0.00 5.30 5.04 -0.72 -5.00 117.35 127.28 2ken s TYR 77 Ca 0.10 -1.26 0.00 0.00 -2.44 0.00 0.00 57.07 53.46 2ken s TYR 77 Cb -0.20 -2.44 0.00 0.00 0.35 0.00 0.00 41.96 39.67 2ken s TYR 77 CO 0.11 -0.72 0.00 -1.71 -1.34 0.00 0.00 175.55 171.89 2ken n ASN 78 N 4.90 0.00 0.07 4.32 2.85 -1.26 -0.08 115.26 126.06 2ken n ASN 78 Ca -0.12 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.46 2ken n ASN 78 Cb 0.45 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.42 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 2.50 0.61 -4.96 1.20 8.00 -1.26 -4.93 116.55 117.72 2ken n ASP 79 Ca 0.00 0.24 -0.22 0.00 0.71 0.00 0.00 54.79 55.52 2ken n ASP 79 Cb 0.00 0.87 -0.01 0.00 -0.02 0.00 0.00 41.12 41.96 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 -3.40 3.29 0.16 -1.24 3.00 0.88 -5.11 118.95 116.54 2ken s ARG 80 Ca -0.03 -0.58 0.08 0.00 0.00 0.00 0.00 55.73 55.20 2ken s ARG 80 Cb 0.11 -2.70 -0.04 0.00 0.00 0.00 0.00 34.95 32.31 2ken s ARG 80 CO 0.82 0.07 -0.03 -0.06 0.00 0.00 0.00 175.30 176.10 2ken s PHE 81 N -2.30 2.79 0.13 -0.53 0.08 -1.26 -1.76 117.98 115.13 2ken s PHE 81 Ca 0.42 -0.15 -0.12 0.00 0.12 0.00 0.00 56.93 57.20 2ken s PHE 81 Cb -0.10 -1.37 0.01 0.00 -0.57 0.00 0.00 43.02 41.00 2ken s PHE 81 CO 0.34 0.51 0.30 1.14 -0.10 0.00 0.00 175.22 177.41 2ken s GLN 82 N -2.81 1.04 -0.20 0.44 -2.07 -0.99 -4.45 119.66 110.62 2ken s GLN 82 Ca 0.26 -0.94 -0.08 0.00 -1.82 0.00 0.00 55.36 52.78 2ken s GLN 82 Cb -0.09 0.40 -0.04 0.00 -1.09 0.00 0.00 33.01 32.19 2ken s GLN 82 CO 0.17 -0.38 0.08 0.08 -1.32 0.00 0.00 175.29 173.92 2ken s VAL 83 N -3.88 4.86 -0.21 3.63 1.01 -1.01 0.38 120.40 125.19 2ken s VAL 83 Ca 0.08 -0.00 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 2ken s VAL 83 Cb 0.03 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 2ken s VAL 83 CO -0.08 0.43 0.03 -1.10 0.00 0.00 0.00 175.10 174.39 2ken s GLN 84 N 0.60 3.70 -0.15 2.72 -0.21 -0.24 -1.60 119.66 124.49 2ken s GLN 84 Ca 0.04 -0.47 -0.11 0.00 0.02 0.00 0.00 55.36 54.84 2ken s GLN 84 Cb -0.13 -3.18 -0.05 0.00 1.00 0.00 0.00 33.01 30.66 2ken s GLN 84 CO 0.01 0.00 0.20 0.08 -2.12 0.00 0.00 175.29 173.47 2ken s VAL 85 N 1.06 5.38 0.00 1.09 1.01 -0.70 -3.15 120.40 125.08 2ken s VAL 85 Ca 0.03 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.36 2ken s VAL 85 Cb -0.14 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.72 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 2.99 1.67 -0.16 3.32 3.02 -1.26 -2.64 115.26 122.19 2ken n ASN 86 Ca -0.16 -0.91 -0.08 0.00 -0.03 0.00 0.00 54.58 53.40 2ken n ASN 86 Cb 0.53 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.76 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 0.95 0.00 3.52 1.63 -1.85 -2.23 116.57 118.58 2ken h LYS 87 Ca 0.00 -0.32 0.00 0.00 -0.85 0.00 0.00 60.65 59.48 2ken h LYS 87 Cb 0.00 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.55 2ken h LYS 87 CO 0.00 0.98 0.00 -1.71 -3.45 0.00 0.00 179.45 175.27 2ken n ASN 88 N -4.17 0.29 -4.93 4.20 5.15 -1.26 -4.70 115.26 109.85 2ken n ASN 88 Ca 0.02 0.59 -0.25 0.00 -0.60 0.00 0.00 54.58 54.34 2ken n ASN 88 Cb 0.36 -0.65 0.04 0.00 -0.53 0.00 0.00 39.78 39.01 2ken n ASN 88 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2ken s SER 89 N -3.54 5.39 0.09 1.20 0.15 -0.84 -4.87 113.70 111.27 2ken s SER 89 Ca 0.03 0.51 0.03 0.00 0.70 0.00 0.00 55.95 57.22 2ken s SER 89 Cb 0.07 -1.43 -0.04 0.00 -1.71 0.00 0.00 66.02 62.91 2ken s SER 89 CO 0.24 -1.16 -0.08 -0.44 1.20 0.00 0.00 173.24 173.00 2ken s SER 90 N -4.36 1.19 -0.02 5.45 0.01 -0.95 -4.88 113.70 110.14 2ken s SER 90 Ca 0.55 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.98 2ken s SER 90 Cb -0.10 0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.20 2ken s SER 90 CO 0.43 -0.33 0.02 -0.63 0.41 0.00 0.00 173.24 173.14 2ken s ILE 91 N -2.68 0.04 -0.08 1.44 1.01 -1.26 -2.52 121.20 117.15 2ken s ILE 91 Ca 0.05 0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.86 2ken s ILE 91 Cb -0.01 -0.15 0.01 0.00 0.01 0.00 0.00 42.46 42.32 2ken s ILE 91 CO -0.02 0.10 -0.13 -1.61 0.00 0.00 0.00 174.94 173.28 2ken s GLU 92 N 0.95 1.92 0.32 2.79 2.02 -1.02 -4.95 118.70 120.73 2ken s GLU 92 Ca -0.09 -0.47 -0.28 0.00 0.02 0.00 0.00 54.97 54.15 2ken s GLU 92 Cb -0.12 -1.62 -0.09 0.00 0.10 0.00 0.00 34.13 32.40 2ken s GLU 92 CO -0.02 -0.01 1.08 0.21 0.02 0.00 0.00 175.26 176.54 2ken s LYS 93 N 0.82 4.48 -0.05 1.61 2.20 -1.26 -1.15 119.74 126.39 2ken s LYS 93 Ca -0.11 1.71 -0.00 0.00 -0.36 0.00 0.00 55.97 57.21 2ken s LYS 93 Cb -0.15 -2.98 -0.03 0.00 -1.51 0.00 0.00 37.83 33.15 2ken s LYS 93 CO 0.02 0.10 0.00 -0.51 -0.36 0.00 0.00 175.35 174.60 2ken s LEU 94 N -1.83 3.56 0.00 5.43 1.43 -1.11 -4.91 118.68 121.24 2ken s LEU 94 Ca 0.49 0.08 0.23 0.00 -1.03 0.00 0.00 54.13 53.89 2ken s LEU 94 Cb -0.29 -1.92 0.91 0.00 0.03 0.00 0.00 46.19 44.92 2ken s LEU 94 CO 0.37 0.33 1.64 -1.54 0.23 0.00 0.00 176.35 177.38 2ken n SER 95 N 1.79 1.36 -4.63 2.29 3.41 -1.26 -4.54 113.62 112.04 2ken n SER 95 Ca -0.17 -1.60 -0.35 0.00 -0.26 0.00 0.00 58.87 56.50 2ken n SER 95 Cb 0.53 -0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 64.32 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 -1.87 3.55 0.45 4.33 8.01 -1.26 -5.10 118.70 126.81 2ken s GLU 96 Ca 0.34 -0.40 -0.22 0.00 0.01 0.00 0.00 54.97 54.70 2ken s GLU 96 Cb 0.18 -3.00 -0.08 0.00 -4.31 0.00 0.00 34.13 26.92 2ken s GLU 96 CO 0.28 0.43 1.05 -1.25 0.01 0.00 0.00 175.26 175.78 2ken s PRO 97 N -0.11 3.91 -0.10 0.39 0.04 -1.26 -4.68 135.00 133.18 2ken s PRO 97 Ca 0.05 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.55 2ken s PRO 97 Cb -0.12 -2.28 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 2ken s PRO 97 CO 0.02 -0.35 -0.11 0.42 0.04 0.00 0.00 177.00 177.02 2ken s ILE 98 N -1.82 3.32 -0.24 0.56 1.01 -1.26 -5.09 121.20 117.69 2ken s ILE 98 Ca 0.64 -0.59 -0.21 0.00 0.00 0.00 0.00 60.65 60.49 2ken s ILE 98 Cb -0.19 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 2ken s ILE 98 CO 0.24 0.55 0.66 -1.61 0.00 0.00 0.00 174.94 174.78 2ken s GLU 99 N -0.11 4.15 -1.19 2.79 8.01 -1.26 -4.98 118.70 126.10 2ken s GLU 99 Ca -0.00 0.63 -0.13 0.00 0.01 0.00 0.00 54.97 55.48 2ken s GLU 99 Cb -0.13 -3.63 0.19 0.00 -4.31 0.00 0.00 34.13 26.25 2ken s GLU 99 CO 0.03 -0.38 1.38 0.08 0.01 0.00 0.00 175.26 176.38 2ken s VAL 100 N 2.40 5.21 0.00 2.63 1.01 -1.26 -4.55 120.40 125.84 2ken s VAL 100 Ca 0.28 -2.79 0.00 0.00 0.00 0.00 0.00 61.98 59.47 2ken s VAL 100 Cb -0.16 -4.86 0.00 0.00 0.00 0.00 0.00 36.38 31.37 2ken s VAL 100 CO 0.09 -1.54 0.00 0.61 0.00 0.00 0.00 175.10 174.25 2ken n GLY 101 N 3.84 1.10 6.84 4.51 0.00 -1.26 -5.00 105.19 115.22 2ken n GLY 101 Ca 0.34 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 0.04 0.99 7.99 -1.26 -4.08 117.00 120.68 2ken n LEU 102 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2ken n LEU 102 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2ken n LEU 102 CO 0.00 0.00 0.00 -0.62 -1.51 0.00 0.00 177.39 175.26 2ken n GLU 103 N 0.00 0.00 0.00 3.23 1.02 -1.26 -4.85 120.64 118.78 2ken n GLU 103 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2ken n GLU 103 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2ken n GLU 103 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2ken n HIS 104 N -2.77 0.00 -3.03 -0.32 -0.00 -1.26 -4.60 115.22 103.24 2ken n HIS 104 Ca 0.00 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.77 2ken n HIS 104 Cb 0.00 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 29.82 2ken n HIS 104 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2ken s HIS 105 N 0.00 3.38 -0.19 1.57 3.76 -1.26 -5.04 115.29 117.51 2ken s HIS 105 Ca 0.00 1.04 -0.09 0.00 -0.15 0.00 0.00 55.06 55.86 2ken s HIS 105 Cb 0.00 -2.89 -0.05 0.00 1.11 0.00 0.00 32.58 30.75 2ken s HIS 105 CO 0.00 -0.22 0.12 -1.01 -0.85 0.00 0.00 174.74 172.78 2ken s HIS 106 N 2.08 3.39 0.19 1.40 0.09 -1.26 -4.99 115.29 116.19 2ken s HIS 106 Ca 0.32 0.30 -0.13 0.00 -0.00 0.00 0.00 55.06 55.55 2ken s HIS 106 Cb -0.16 -2.13 0.10 0.00 -0.00 0.00 0.00 32.58 30.39 2ken s HIS 106 CO 0.11 0.29 1.85 1.12 -0.00 0.00 0.00 174.74 178.11 2ken h HIS 107 N 6.57 0.76 -3.46 1.40 2.07 -1.97 -3.44 115.15 117.07 2ken h HIS 107 Ca -0.41 0.02 -0.09 0.00 -2.85 0.00 0.00 60.37 57.04 2ken h HIS 107 Cb 1.16 -0.26 -0.16 0.00 2.57 0.00 0.00 27.41 30.72 2ken h HIS 107 CO 0.59 0.47 -0.28 -1.58 -3.07 0.00 0.00 177.93 174.07 2ken s HIS 108 N -6.15 -0.04 -2.00 6.12 5.65 -1.26 -5.28 115.29 112.33 2ken s HIS 108 Ca -0.13 -0.20 0.17 0.00 0.25 0.00 0.00 55.06 55.15 2ken s HIS 108 Cb 0.13 0.06 1.04 0.00 -1.18 0.00 0.00 32.58 32.63 2ken s HIS 108 CO 0.76 -0.52 1.44 1.58 -0.65 0.00 0.00 174.74 177.34