#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ke2 s SER 12 N 0.00 2.61 0.52 4.52 1.04 -1.26 -4.72 113.70 116.40 3ke2 s SER 12 Ca 0.00 1.96 0.21 0.00 0.48 0.00 0.00 55.95 58.60 3ke2 s SER 12 Cb 0.00 -2.48 1.37 0.00 0.10 0.00 0.00 66.02 65.01 3ke2 s SER 12 CO 0.00 -3.26 2.12 0.50 0.98 0.00 0.00 173.24 173.58 3ke2 h LYS 13 N -1.97 0.00 0.12 4.02 3.11 -2.04 0.37 116.57 120.17 3ke2 h LYS 13 Ca -0.48 0.00 -0.31 0.00 -2.81 0.00 0.00 60.65 57.05 3ke2 h LYS 13 Cb 1.28 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.51 3ke2 h LYS 13 CO 0.45 0.08 -1.54 1.96 -2.81 0.00 0.00 179.45 177.60 3ke2 h GLN 14 N 0.00 0.26 -0.08 1.90 7.50 -1.98 -1.83 115.11 120.88 3ke2 h GLN 14 Ca -0.00 -0.45 -0.18 0.00 0.50 0.00 0.00 58.65 58.53 3ke2 h GLN 14 Cb 0.16 0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.85 3ke2 h GLN 14 CO 0.01 1.13 -0.69 1.25 -1.50 0.00 0.00 178.83 179.03 3ke2 h HIS 15 N 0.07 0.51 0.87 2.96 2.76 -1.79 0.10 115.15 120.63 3ke2 h HIS 15 Ca -0.25 -0.22 -0.04 0.00 -2.20 0.00 0.00 60.37 57.66 3ke2 h HIS 15 Cb 2.02 -0.08 0.01 0.00 1.55 0.00 0.00 27.41 30.91 3ke2 h HIS 15 CO 0.07 0.96 -0.42 -0.22 -1.30 0.00 0.00 177.93 177.01 3ke2 h LYS 16 N 0.27 -1.12 -0.90 5.26 3.11 -0.39 0.19 116.57 122.99 3ke2 h LYS 16 Ca -0.02 0.08 0.23 0.00 -2.81 0.00 0.00 60.65 58.12 3ke2 h LYS 16 Cb 1.25 0.26 -0.05 0.00 -1.00 0.00 0.00 32.23 32.69 3ke2 h LYS 16 CO 0.12 -0.75 0.62 0.00 -2.81 0.00 0.00 179.45 176.62 3ke2 h ALA 17 N -1.33 2.49 -0.02 5.00 0.00 -1.26 -0.70 119.26 123.44 3ke2 h ALA 17 Ca -0.12 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3ke2 h ALA 17 Cb 0.89 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3ke2 h ALA 17 CO 0.20 -0.77 -0.13 0.35 0.00 0.00 0.00 179.25 178.89 3ke2 h PHE 18 N 0.22 0.17 -0.36 0.00 3.57 -0.63 -3.07 116.94 116.84 3ke2 h PHE 18 Ca 0.45 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.86 3ke2 h PHE 18 Cb 1.42 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.12 3ke2 h PHE 18 CO -0.00 0.80 0.15 -0.07 -2.23 0.00 0.00 178.31 176.95 3ke2 h LEU 19 N -0.51 0.46 -0.14 0.59 3.38 0.03 -2.22 115.31 116.90 3ke2 h LEU 19 Ca -0.01 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3ke2 h LEU 19 Cb 0.82 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 3ke2 h LEU 19 CO 0.03 0.42 -0.12 -0.09 0.09 0.00 0.00 178.44 178.77 3ke2 h ARG 20 N 0.51 -0.13 -0.34 1.13 2.43 -1.18 0.87 114.38 117.68 3ke2 h ARG 20 Ca 0.13 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 3ke2 h ARG 20 Cb 0.10 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3ke2 h ARG 20 CO -0.01 -0.09 0.21 0.87 -1.51 0.00 0.00 179.97 179.44 3ke2 h LYS 21 N -0.13 0.43 -0.30 0.20 1.57 -1.31 -0.46 116.57 116.56 3ke2 h LYS 21 Ca 0.09 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3ke2 h LYS 21 Cb 0.27 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3ke2 h LYS 21 CO -0.22 0.28 0.05 -0.07 -0.57 0.00 0.00 179.45 178.92 3ke2 h LEU 22 N 0.44 0.40 -0.23 2.94 4.07 -1.04 0.65 115.31 122.54 3ke2 h LEU 22 Ca 0.13 -0.05 -0.08 0.00 0.08 0.00 0.00 57.88 57.95 3ke2 h LEU 22 Cb -0.03 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 41.60 3ke2 h LEU 22 CO -0.04 0.43 -0.18 0.22 -1.08 0.00 0.00 178.44 177.79 3ke2 h TYR 23 N 0.43 0.62 -0.62 1.13 3.20 -0.18 -1.82 116.97 119.72 3ke2 h TYR 23 Ca 0.10 -0.18 -0.06 0.00 3.14 0.00 0.00 58.73 61.74 3ke2 h TYR 23 Cb 0.21 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 3ke2 h TYR 23 CO 0.01 0.84 0.17 -0.07 -1.64 0.00 0.00 178.16 177.46 3ke2 h LEU 24 N 0.22 0.93 -0.94 2.82 3.38 -0.65 -1.86 115.31 119.22 3ke2 h LEU 24 Ca 0.04 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.85 3ke2 h LEU 24 Cb 0.72 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 3ke2 h LEU 24 CO 0.05 0.91 0.60 0.00 0.09 0.00 0.00 178.44 180.09 3ke2 h ALA 25 N 1.05 1.30 -0.46 1.53 0.00 -0.83 -2.38 119.26 119.47 3ke2 h ALA 25 Ca 0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3ke2 h ALA 25 Cb 0.34 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3ke2 h ALA 25 CO -0.00 0.36 0.19 1.25 0.00 0.00 0.00 179.25 181.06 3ke2 h HIS 26 N 1.08 0.68 0.00 0.00 -0.00 -0.66 -1.34 115.15 114.91 3ke2 h HIS 26 Ca 0.41 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.73 3ke2 h HIS 26 Cb 0.18 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.38 3ke2 h HIS 26 CO -0.02 0.57 0.00 1.28 -0.00 0.00 0.00 177.93 179.77 3ke2 n LEU 27 N -4.61 0.50 0.00 0.26 4.77 -0.76 -2.59 117.00 114.57 3ke2 n LEU 27 Ca 0.01 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 3ke2 n LEU 27 Cb 0.14 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3ke2 n LEU 27 CO 0.37 0.09 0.00 -0.67 -1.33 0.00 0.00 177.39 175.85 3ke2 n ASP 29 N 0.82 0.00 -0.04 -1.43 2.03 -0.51 -2.45 116.55 114.98 3ke2 n ASP 29 Ca 0.00 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 3ke2 n ASP 29 Cb 0.09 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.59 3ke2 n ASP 29 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3ke2 n ASP 30 N 0.00 0.81 -3.74 1.67 5.68 -1.07 -4.94 116.55 114.95 3ke2 n ASP 30 Ca 0.00 -0.65 -0.13 0.00 -0.50 0.00 0.00 54.79 53.51 3ke2 n ASP 30 Cb 0.00 0.55 -0.08 0.00 -1.14 0.00 0.00 41.12 40.45 3ke2 n ASP 30 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ke2 s ALA 31 N -2.94 -0.82 -0.22 2.12 0.00 -1.02 -5.11 121.76 113.76 3ke2 s ALA 31 Ca 0.11 0.30 -0.29 0.00 0.00 0.00 0.00 51.96 52.08 3ke2 s ALA 31 Cb 0.17 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.43 3ke2 s ALA 31 CO 0.75 -0.31 1.16 1.03 0.00 0.00 0.00 175.76 178.39 3ke2 s ARG 32 N -1.65 4.18 0.10 0.00 0.52 -1.26 -4.96 118.95 115.88 3ke2 s ARG 32 Ca -0.11 1.43 0.05 0.00 -0.52 0.00 0.00 55.73 56.57 3ke2 s ARG 32 Cb -0.04 -3.73 -0.04 0.00 0.52 0.00 0.00 34.95 31.67 3ke2 s ARG 32 CO 0.03 -0.75 -0.12 -1.01 0.02 0.00 0.00 175.30 173.47 3ke2 s HIS 33 N 3.51 1.18 0.30 -0.53 3.76 -1.26 -4.99 115.29 117.27 3ke2 s HIS 33 Ca 0.50 -0.59 0.04 0.00 -0.15 0.00 0.00 55.06 54.85 3ke2 s HIS 33 Cb -0.17 -0.64 -0.01 0.00 1.11 0.00 0.00 32.58 32.86 3ke2 s HIS 33 CO 0.12 0.05 0.13 0.27 -0.85 0.00 0.00 174.74 174.47 3ke2 n ASN 34 N 0.66 0.86 -0.16 1.40 0.23 -1.26 -0.61 115.26 116.38 3ke2 n ASN 34 Ca -0.17 -2.65 0.07 0.00 -0.53 0.00 0.00 54.58 51.30 3ke2 n ASN 34 Cb 0.57 0.87 0.38 0.00 -2.08 0.00 0.00 39.78 39.52 3ke2 n ASN 34 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 3ke2 h LEU 35 N 0.00 0.61 -0.05 -4.53 3.38 -1.94 -1.03 115.31 111.74 3ke2 h LEU 35 Ca -0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3ke2 h LEU 35 Cb 0.92 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 3ke2 h LEU 35 CO 0.36 0.39 -0.02 0.25 0.09 0.00 0.00 178.44 179.51 3ke2 h LEU 36 N 0.70 0.11 -0.43 1.67 5.85 -1.99 -1.92 115.31 119.30 3ke2 h LEU 36 Ca 0.30 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 3ke2 h LEU 36 Cb 0.29 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3ke2 h LEU 36 CO -0.10 0.48 0.05 0.77 -0.34 0.00 0.00 178.44 179.31 3ke2 h SER 37 N -0.26 0.69 -0.38 1.25 4.64 -1.86 -1.16 113.55 116.47 3ke2 h SER 37 Ca 0.01 -0.27 -0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3ke2 h SER 37 Cb 0.44 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 3ke2 h SER 37 CO 0.01 0.79 0.23 -0.07 -0.87 0.00 0.00 176.83 176.92 3ke2 h LEU 38 N 0.57 0.46 -0.32 5.97 3.38 -1.26 -0.48 115.31 123.63 3ke2 h LEU 38 Ca 0.13 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3ke2 h LEU 38 Cb 0.41 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3ke2 h LEU 38 CO 0.01 0.36 -0.01 1.23 0.09 0.00 0.00 178.44 180.13 3ke2 h GLY 39 N 0.58 0.62 2.00 0.83 0.00 -0.64 0.50 103.07 106.96 3ke2 h GLY 39 Ca 0.14 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 3ke2 h GLY 39 CO -0.03 0.43 -0.52 0.50 0.00 0.00 0.00 176.54 176.92 3ke2 h LYS 40 N 0.38 0.00 0.10 4.80 1.57 -0.71 -1.24 116.57 121.47 3ke2 h LYS 40 Ca 0.09 -0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.56 3ke2 h LYS 40 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3ke2 h LYS 40 CO 0.02 0.52 -1.60 1.25 -0.57 0.00 0.00 179.45 179.08 3ke2 h LEU 41 N 0.00 0.33 0.00 2.94 5.85 -0.97 -2.69 115.31 120.78 3ke2 h LEU 41 Ca -0.00 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.20 3ke2 h LEU 41 Cb 0.92 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.84 3ke2 h LEU 41 CO 0.07 1.43 -1.65 0.35 -0.34 0.00 0.00 178.44 178.30 3ke2 n THR 42 N -3.40 0.00 -1.57 1.05 -2.24 0.15 -4.21 114.28 104.06 3ke2 n THR 42 Ca -0.18 -0.35 -0.00 0.00 -2.27 0.00 0.00 64.05 61.25 3ke2 n THR 42 Cb 1.04 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 3ke2 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ke2 n GLY 43 N 1.57 -0.64 3.47 3.38 0.00 -0.47 -2.47 105.19 110.03 3ke2 n GLY 43 Ca -0.02 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 3ke2 n GLY 43 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ke2 s PRO 45 N -1.53 1.68 0.28 1.61 0.04 -1.26 -5.00 135.00 130.82 3ke2 s PRO 45 Ca 0.01 -1.64 -0.05 0.00 0.04 0.00 0.00 61.00 59.37 3ke2 s PRO 45 Cb -0.00 -1.84 0.54 0.00 0.04 0.00 0.00 34.50 33.24 3ke2 s PRO 45 CO 0.04 0.36 1.58 -0.09 0.04 0.00 0.00 177.00 178.94 3ke2 h ARG 46 N 2.60 0.02 -0.29 4.56 2.43 -1.98 -1.52 114.38 120.20 3ke2 h ARG 46 Ca -0.43 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.77 3ke2 h ARG 46 Cb 1.24 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.73 3ke2 h ARG 46 CO 0.55 0.01 -0.39 -0.09 -1.51 0.00 0.00 179.97 178.54 3ke2 h ARG 47 N 0.02 -0.27 -0.56 0.20 9.65 -2.00 -0.26 114.38 121.15 3ke2 h ARG 47 Ca 0.49 0.02 0.09 0.00 -1.10 0.00 0.00 59.98 59.48 3ke2 h ARG 47 Cb 0.88 0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 29.46 3ke2 h ARG 47 CO -0.89 -0.18 0.20 1.15 2.80 0.00 0.00 179.97 183.05 3ke2 h THR 48 N -0.28 0.78 -0.57 0.20 2.02 -1.73 -1.82 112.91 111.50 3ke2 h THR 48 Ca 0.05 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.12 3ke2 h THR 48 Cb 0.42 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3ke2 h THR 48 CO -0.42 0.07 0.36 -0.07 0.37 0.00 0.00 175.52 175.83 3ke2 h LEU 49 N 0.37 0.61 -0.42 2.58 3.38 -1.00 0.52 115.31 121.35 3ke2 h LEU 49 Ca 0.28 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 3ke2 h LEU 49 Cb 0.34 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3ke2 h LEU 49 CO -0.29 0.43 0.07 1.56 0.09 0.00 0.00 178.44 180.30 3ke2 h GLN 50 N 0.73 0.70 -0.70 1.13 4.20 -0.56 0.03 115.11 120.65 3ke2 h GLN 50 Ca 0.22 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 3ke2 h GLN 50 Cb -0.03 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 3ke2 h GLN 50 CO -0.07 0.74 0.29 -0.44 -0.67 0.00 0.00 178.83 178.68 3ke2 h ASP 51 N 0.56 0.95 0.29 1.46 3.32 -1.06 0.32 116.42 122.26 3ke2 h ASP 51 Ca 0.13 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3ke2 h ASP 51 Cb 0.38 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3ke2 h ASP 51 CO 0.01 0.85 -0.19 0.00 -1.72 0.00 0.00 179.24 178.19 3ke2 h ALA 52 N 1.14 -0.46 -0.36 3.45 0.00 -0.72 -0.70 119.26 121.61 3ke2 h ALA 52 Ca 0.23 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3ke2 h ALA 52 Cb 0.19 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3ke2 h ALA 52 CO -0.02 -0.77 0.24 0.82 0.00 0.00 0.00 179.25 179.51 3ke2 h ILE 53 N -0.47 1.08 -0.08 0.00 2.04 -0.69 -1.35 117.51 118.05 3ke2 h ILE 53 Ca -0.03 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.69 3ke2 h ILE 53 Cb 0.39 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3ke2 h ILE 53 CO 0.02 0.09 0.10 0.00 0.00 0.00 0.00 178.15 178.36 3ke2 h ALA 54 N 1.14 1.59 -0.18 1.87 0.00 -0.11 -2.37 119.26 121.19 3ke2 h ALA 54 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ke2 h ALA 54 Cb -0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ke2 h ALA 54 CO -0.04 -0.14 0.00 -1.13 0.00 0.00 0.00 179.25 177.94 3ke2 n SER 55 N -3.71 2.96 -0.23 0.00 3.41 -0.29 -4.40 113.62 111.35 3ke2 n SER 55 Ca -0.01 -1.93 0.03 0.00 -0.26 0.00 0.00 58.87 56.70 3ke2 n SER 55 Cb 0.20 -0.11 0.28 0.00 -0.26 0.00 0.00 64.21 64.32 3ke2 n SER 55 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3ke2 h PHE 56 N 4.23 0.92 -0.52 7.33 -1.00 -1.23 -1.82 116.94 124.86 3ke2 h PHE 56 Ca 0.00 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.82 3ke2 h PHE 56 Cb 0.91 -0.31 -0.03 0.00 3.61 0.00 0.00 35.95 40.14 3ke2 h PHE 56 CO 0.11 0.52 0.34 0.00 -1.61 0.00 0.00 178.31 177.67 3ke2 h ALA 57 N 1.55 1.70 0.00 2.45 0.00 -1.75 -1.21 119.26 121.99 3ke2 h ALA 57 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3ke2 h ALA 57 Cb 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ke2 h ALA 57 CO -0.10 0.26 0.00 -0.25 0.00 0.00 0.00 179.25 179.16 3ke2 n ASP 58 N -4.47 0.47 -0.10 0.00 8.00 -0.68 -1.24 116.55 118.53 3ke2 n ASP 58 Ca 0.05 0.67 0.08 0.00 0.71 0.00 0.00 54.79 56.31 3ke2 n ASP 58 Cb 0.10 -0.75 0.12 0.00 -0.02 0.00 0.00 41.12 40.57 3ke2 n ASP 58 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3ke2 n ILE 59 N -2.08 1.66 -1.02 0.53 -5.35 -0.56 -5.00 119.36 107.53 3ke2 n ILE 59 Ca 0.00 -1.98 -0.01 0.00 -0.27 0.00 0.00 62.75 60.50 3ke2 n ILE 59 Cb 0.10 -0.12 -0.00 0.00 -1.74 0.00 0.00 39.64 37.88 3ke2 n ILE 59 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ke2 n GLY 60 N -1.24 0.48 3.58 3.28 0.00 -0.37 -4.61 105.19 106.31 3ke2 n GLY 60 Ca 0.13 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 3ke2 n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ke2 s ILE 61 N -1.96 5.17 -0.21 -0.61 1.01 -0.57 -3.49 121.20 120.54 3ke2 s ILE 61 Ca 0.00 0.37 -0.15 0.00 0.00 0.00 0.00 60.65 60.86 3ke2 s ILE 61 Cb 0.00 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 3ke2 s ILE 61 CO 0.00 0.06 0.37 -1.61 0.00 0.00 0.00 174.94 173.76 3ke2 s GLU 62 N 2.06 4.15 -0.01 2.79 2.02 -0.52 -3.22 118.70 125.97 3ke2 s GLU 62 Ca 0.14 0.14 0.06 0.00 0.02 0.00 0.00 54.97 55.33 3ke2 s GLU 62 Cb -0.16 -3.55 -0.03 0.00 0.10 0.00 0.00 34.13 30.50 3ke2 s GLU 62 CO 0.11 -0.05 -0.19 0.08 0.02 0.00 0.00 175.26 175.23 3ke2 s VAL 63 N 1.34 2.69 0.27 2.63 1.01 -1.26 -0.47 120.40 126.61 3ke2 s VAL 63 Ca 0.18 -0.98 0.11 0.00 0.00 0.00 0.00 61.98 61.29 3ke2 s VAL 63 Cb -0.15 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 3ke2 s VAL 63 CO 0.08 0.51 -0.11 -1.61 0.00 0.00 0.00 175.10 173.97 3ke2 s GLU 64 N -0.91 1.96 -0.22 2.72 2.02 0.70 -4.88 118.70 120.10 3ke2 s GLU 64 Ca 0.12 -1.58 0.02 0.00 0.02 0.00 0.00 54.97 53.54 3ke2 s GLU 64 Cb -0.10 -1.96 0.04 0.00 0.10 0.00 0.00 34.13 32.20 3ke2 s GLU 64 CO 0.01 0.35 -0.15 0.12 0.02 0.00 0.00 175.26 175.61 3ke2 s PHE 65 N -2.36 2.99 -0.11 1.61 5.36 -1.26 -1.50 117.98 122.70 3ke2 s PHE 65 Ca 0.30 -1.91 -0.00 0.00 -0.96 0.00 0.00 56.93 54.36 3ke2 s PHE 65 Cb -0.06 -1.93 -0.02 0.00 -0.34 0.00 0.00 43.02 40.67 3ke2 s PHE 65 CO 0.17 -0.83 -0.11 0.08 -1.46 0.00 0.00 175.22 173.07 3ke2 s VAL 66 N 1.22 3.28 0.33 3.12 1.01 0.44 -4.93 120.40 124.86 3ke2 s VAL 66 Ca -0.01 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 61.46 3ke2 s VAL 66 Cb -0.16 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 3ke2 s VAL 66 CO -0.09 0.54 0.06 -1.10 0.00 0.00 0.00 175.10 174.51 3ke2 s GLN 67 N 0.04 2.23 0.53 2.72 -0.21 -1.26 -0.58 119.66 123.13 3ke2 s GLN 67 Ca -0.03 -1.61 -0.19 0.00 0.02 0.00 0.00 55.36 53.55 3ke2 s GLN 67 Cb -0.14 -2.07 -0.06 0.00 1.00 0.00 0.00 33.01 31.73 3ke2 s GLN 67 CO 0.04 0.16 1.06 0.16 -2.12 0.00 0.00 175.29 174.59 3ke2 s ASP 68 N -3.76 6.08 0.36 5.90 -4.77 -1.26 -4.92 116.67 114.29 3ke2 s ASP 68 Ca 0.35 1.92 0.16 0.00 -3.30 0.00 0.00 52.55 51.68 3ke2 s ASP 68 Cb -0.02 -2.55 1.07 0.00 -1.09 0.00 0.00 42.92 40.32 3ke2 s ASP 68 CO 0.21 -0.97 1.70 1.23 0.70 0.00 0.00 175.17 178.05 3ke2 h GLY 69 N 1.13 1.73 1.54 2.12 0.00 -2.03 0.31 103.07 107.87 3ke2 h GLY 69 Ca -0.49 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.60 3ke2 h GLY 69 CO 0.58 -0.32 0.00 -1.84 0.00 0.00 0.00 176.54 174.96 3ke2 n GLU 70 N -4.86 0.40 -3.78 4.80 0.28 -1.26 -4.92 120.64 111.31 3ke2 n GLU 70 Ca 0.29 0.04 -0.25 0.00 -0.16 0.00 0.00 57.16 57.08 3ke2 n GLU 70 Cb 0.94 -1.50 0.04 0.00 1.43 0.00 0.00 31.44 32.34 3ke2 n GLU 70 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3ke2 n ARG 71 N -1.27 -5.47 0.00 3.44 1.74 0.11 -4.89 116.66 110.32 3ke2 n ARG 71 Ca 0.13 0.63 0.01 0.00 -0.77 0.00 0.00 57.85 57.85 3ke2 n ARG 71 Cb 0.20 -5.39 -0.02 0.00 -1.02 0.00 0.00 32.46 26.24 3ke2 n ARG 71 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3ke2 n HIS 72 N -4.50 0.00 -2.46 -1.55 8.25 -1.26 -5.02 115.22 108.67 3ke2 n HIS 72 Ca -0.13 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.09 3ke2 n HIS 72 Cb 0.60 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.81 3ke2 n HIS 72 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3ke2 s ASN 73 N -1.26 4.43 0.00 0.41 4.22 -1.26 -5.00 114.94 116.48 3ke2 s ASN 73 Ca 0.01 -0.11 0.29 0.00 -2.14 0.00 0.00 52.86 50.90 3ke2 s ASN 73 Cb 0.02 -0.35 1.17 0.00 1.28 0.00 0.00 41.25 43.37 3ke2 s ASN 73 CO 0.12 -1.80 1.84 0.00 -2.04 0.00 0.00 177.10 175.22 3ke2 n ALA 74 N -2.87 2.72 -0.38 3.54 0.00 -1.26 -4.87 120.51 117.39 3ke2 n ALA 74 Ca 0.13 -0.22 0.05 0.00 0.00 0.00 0.00 53.44 53.40 3ke2 n ALA 74 Cb 0.60 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 3ke2 n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ke2 n GLY 75 N 1.37 -2.11 3.16 0.00 0.00 -1.26 -5.01 105.19 101.34 3ke2 n GLY 75 Ca 0.11 -1.40 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 3ke2 n GLY 75 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ke2 s TYR 76 N -2.31 0.20 0.21 1.61 1.13 0.25 -4.48 117.35 113.96 3ke2 s TYR 76 Ca 0.00 -0.56 -0.16 0.00 -1.41 0.00 0.00 57.07 54.94 3ke2 s TYR 76 Cb 0.00 -0.13 -0.08 0.00 -1.10 0.00 0.00 41.96 40.66 3ke2 s TYR 76 CO 0.00 -0.44 0.64 0.71 -2.51 0.00 0.00 175.55 173.95 3ke2 s TYR 77 N -3.20 3.55 -0.02 -3.49 2.02 0.22 -0.42 117.35 116.01 3ke2 s TYR 77 Ca 0.00 1.17 0.01 0.00 -0.37 0.00 0.00 57.07 57.88 3ke2 s TYR 77 Cb 0.02 -2.47 0.01 0.00 -0.40 0.00 0.00 41.96 39.12 3ke2 s TYR 77 CO -0.07 0.32 -0.03 0.50 -1.57 0.00 0.00 175.55 174.70 3ke2 s ARG 78 N -2.26 0.39 -0.47 -0.62 3.52 -0.56 -4.54 118.95 114.41 3ke2 s ARG 78 Ca 0.44 -0.08 -0.24 0.00 -0.13 0.00 0.00 55.73 55.72 3ke2 s ARG 78 Cb -0.14 -0.43 0.03 0.00 -1.56 0.00 0.00 34.95 32.84 3ke2 s ARG 78 CO 0.20 0.00 0.84 0.42 -0.81 0.00 0.00 175.30 175.95 3ke2 s ILE 79 N 0.36 4.57 0.12 4.11 -1.09 -1.26 -0.21 121.20 127.79 3ke2 s ILE 79 Ca -0.04 0.48 -0.14 0.00 -2.23 0.00 0.00 60.65 58.73 3ke2 s ILE 79 Cb -0.07 -4.38 -0.05 0.00 -1.58 0.00 0.00 42.46 36.38 3ke2 s ILE 79 CO -0.01 -0.80 1.49 -0.09 -1.23 0.00 0.00 174.94 174.30 3ke2 h ARG 80 N 9.05 0.75 -2.07 2.79 2.43 -1.11 -3.46 114.38 122.76 3ke2 h ARG 80 Ca -0.25 -0.33 -0.06 0.00 -0.81 0.00 0.00 59.98 58.53 3ke2 h ARG 80 Cb 1.08 -0.02 -0.20 0.00 -0.42 0.00 0.00 29.97 30.41 3ke2 h ARG 80 CO 0.99 0.95 0.13 -0.08 -1.51 0.00 0.00 179.97 180.45 3ke2 s THR 81 N -4.60 0.00 -0.73 0.20 -1.32 -1.16 -5.00 115.64 103.03 3ke2 s THR 81 Ca -0.12 -0.02 0.25 0.00 -1.21 0.00 0.00 61.69 60.59 3ke2 s THR 81 Cb 0.10 -0.97 0.12 0.00 -1.51 0.00 0.00 72.50 70.24 3ke2 s THR 81 CO 0.83 -0.01 1.50 0.79 -2.21 0.00 0.00 174.62 175.52 3ke2 n TRP 82 N 1.85 0.56 0.00 9.09 7.02 -1.26 -1.44 117.44 133.26 3ke2 n TRP 82 Ca -0.16 0.16 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3ke2 n TRP 82 Cb 0.56 -0.68 0.00 0.00 -2.42 0.00 0.00 31.31 28.77 3ke2 n TRP 82 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3ke2 n GLY 83 N 1.36 3.58 0.00 6.99 0.00 -1.23 -1.25 105.19 114.64 3ke2 n GLY 83 Ca 0.04 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.26 3ke2 n GLY 83 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ke2 n PRO 84 N 14.00 0.64 -3.43 1.61 -0.04 -1.26 -4.76 135.00 141.76 3ke2 n PRO 84 Ca 0.00 0.02 -0.38 0.00 -0.04 0.00 0.00 63.50 63.10 3ke2 n PRO 84 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 3ke2 n PRO 84 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3ke2 s ILE 85 N -2.22 5.11 -0.44 0.52 -1.09 -0.38 -5.04 121.20 117.66 3ke2 s ILE 85 Ca 0.33 0.86 -0.23 0.00 -2.23 0.00 0.00 60.65 59.38 3ke2 s ILE 85 Cb 0.17 -3.75 0.02 0.00 -1.58 0.00 0.00 42.46 37.33 3ke2 s ILE 85 CO 0.33 0.46 0.77 -0.55 -1.23 0.00 0.00 174.94 174.73 3ke2 s SER 86 N -0.27 6.42 0.50 3.58 0.15 -1.26 -4.77 113.70 118.04 3ke2 s SER 86 Ca 0.24 -0.06 0.27 0.00 0.70 0.00 0.00 55.95 57.10 3ke2 s SER 86 Cb -0.16 -2.38 1.25 0.00 -1.71 0.00 0.00 66.02 63.02 3ke2 s SER 86 CO 0.11 -0.88 1.96 0.77 1.20 0.00 0.00 173.24 176.41 3ke2 h SER 87 N 8.90 0.00 0.02 5.45 4.64 -1.95 -2.86 113.55 127.76 3ke2 h SER 87 Ca -0.25 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3ke2 h SER 87 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3ke2 h SER 87 CO 0.95 0.15 -0.01 0.00 -0.87 0.00 0.00 176.83 177.04 3ke2 h ALA 88 N 1.85 -0.03 0.00 5.18 0.00 -2.05 -2.98 119.26 121.23 3ke2 h ALA 88 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3ke2 h ALA 88 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ke2 h ALA 88 CO 0.02 -0.41 0.00 1.87 0.00 0.00 0.00 179.25 180.72 3ke2 n TRP 89 N -5.01 0.00 0.00 0.00 -0.00 -1.08 -2.41 117.44 108.94 3ke2 n TRP 89 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.42 3ke2 n TRP 89 Cb 0.13 -0.02 0.00 0.00 -0.00 0.00 0.00 31.31 31.42 3ke2 n TRP 89 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 3ke2 n ASP 91 N 0.43 0.00 0.09 5.87 8.00 -1.13 -2.14 116.55 127.67 3ke2 n ASP 91 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 3ke2 n ASP 91 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.15 3ke2 n ASP 91 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3ke2 h THR 92 N 0.00 1.46 -0.33 -3.53 2.02 -1.79 -3.34 112.91 107.39 3ke2 h THR 92 Ca 0.00 -2.40 -0.06 0.00 0.77 0.00 0.00 66.41 64.72 3ke2 h THR 92 Cb 0.00 2.30 -0.04 0.00 -1.74 0.00 0.00 68.15 68.67 3ke2 h THR 92 CO 0.00 0.70 0.02 1.41 0.37 0.00 0.00 175.52 178.02 3ke2 n HIS 93 N -3.73 1.15 -0.12 3.16 8.25 -0.91 -4.73 115.22 118.30 3ke2 n HIS 93 Ca -0.03 -1.07 -0.06 0.00 -0.26 0.00 0.00 57.72 56.31 3ke2 n HIS 93 Cb 0.73 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.45 3ke2 n HIS 93 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3ke2 h VAL 94 N 1.74 0.35 -0.49 1.59 2.07 -1.85 -2.46 116.25 117.19 3ke2 h VAL 94 Ca 0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.64 3ke2 h VAL 94 Cb 1.60 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 3ke2 h VAL 94 CO 0.32 0.00 0.26 0.44 0.02 0.00 0.00 177.57 178.60 3ke2 h ASP 95 N -0.17 0.38 -0.10 0.57 3.32 -1.91 -0.37 116.42 118.15 3ke2 h ASP 95 Ca 0.19 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3ke2 h ASP 95 Cb 0.47 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 3ke2 h ASP 95 CO -0.51 0.26 0.06 -0.33 -1.72 0.00 0.00 179.24 177.01 3ke2 h GLU 96 N 0.50 0.13 -0.74 3.56 5.08 -1.85 -3.03 114.58 118.23 3ke2 h GLU 96 Ca 0.21 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3ke2 h GLU 96 Cb 0.10 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3ke2 h GLU 96 CO -0.14 0.10 0.37 0.28 -1.00 0.00 0.00 179.01 178.63 3ke2 h VAL 97 N 0.12 1.23 -0.79 3.13 2.07 -1.22 -2.29 116.25 118.50 3ke2 h VAL 97 Ca 0.04 -0.64 0.08 0.00 0.82 0.00 0.00 66.70 66.99 3ke2 h VAL 97 Cb 0.01 0.30 -0.11 0.00 -1.52 0.00 0.00 31.29 29.97 3ke2 h VAL 97 CO -0.01 0.27 -0.58 0.11 0.02 0.00 0.00 177.57 177.39 3ke2 h LYS 98 N 1.03 -0.14 0.24 1.57 1.79 -0.94 -1.30 116.57 118.82 3ke2 h LYS 98 Ca 0.26 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.72 3ke2 h LYS 98 Cb 0.09 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 3ke2 h LYS 98 CO -0.04 -0.09 -0.12 0.66 -1.08 0.00 0.00 179.45 178.79 3ke2 h SER 99 N -0.14 -0.27 -1.60 0.86 4.64 -1.53 -2.74 113.55 112.77 3ke2 h SER 99 Ca 0.13 -0.25 0.50 0.00 -0.47 0.00 0.00 61.79 61.70 3ke2 h SER 99 Cb 0.48 0.07 -0.11 0.00 -0.31 0.00 0.00 62.40 62.53 3ke2 h SER 99 CO -0.82 0.21 1.10 -0.07 -0.87 0.00 0.00 176.83 176.38 3ke2 h LEU 100 N -0.88 0.12 0.00 5.97 4.07 -1.27 1.30 115.31 124.62 3ke2 h LEU 100 Ca -0.03 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.00 3ke2 h LEU 100 Cb 0.51 0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.32 3ke2 h LEU 100 CO 0.05 -0.12 -0.88 0.18 -1.08 0.00 0.00 178.44 176.59 3ke2 n LEU 101 N -4.36 0.68 -1.83 1.67 4.77 -0.50 -5.01 117.00 112.42 3ke2 n LEU 101 Ca 0.40 0.16 -0.10 0.00 -0.03 0.00 0.00 56.01 56.44 3ke2 n LEU 101 Cb 1.70 -0.12 0.03 0.00 -2.33 0.00 0.00 43.42 42.70 3ke2 n LEU 101 CO 0.31 -0.05 0.11 0.61 -1.33 0.00 0.00 177.39 177.04 3ke2 n GLY 102 N 1.31 0.30 3.73 -0.72 0.00 0.45 -4.99 105.19 105.27 3ke2 n GLY 102 Ca 0.02 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 3ke2 n GLY 102 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ke2 s VAL 103 N -3.13 3.01 0.00 1.61 -7.23 -1.09 -5.05 120.40 108.52 3ke2 s VAL 103 Ca 0.25 0.81 0.00 0.00 -1.81 0.00 0.00 61.98 61.23 3ke2 s VAL 103 Cb -0.11 -3.51 0.00 0.00 0.56 0.00 0.00 36.38 33.31 3ke2 s VAL 103 CO 0.31 0.11 0.00 -0.67 -0.31 0.00 0.00 175.10 174.54 3ke2 n ASP 104 N 2.88 0.35 -3.63 4.85 2.03 -1.03 -4.97 116.55 117.03 3ke2 n ASP 104 Ca 0.08 -0.11 -0.05 0.00 0.52 0.00 0.00 54.79 55.22 3ke2 n ASP 104 Cb 0.42 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.76 3ke2 n ASP 104 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3ke2 s ASP 105 N -0.69 -0.18 0.00 1.67 -1.08 -1.26 -4.30 116.67 110.83 3ke2 s ASP 105 Ca 0.00 0.25 0.00 0.00 -0.52 0.00 0.00 52.55 52.28 3ke2 s ASP 105 Cb 0.00 0.23 0.00 0.00 -1.46 0.00 0.00 42.92 41.69 3ke2 s ASP 105 CO 0.00 -0.12 0.00 0.00 0.52 0.00 0.00 175.17 175.57