#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6b s SER 1 N 0.00 6.35 0.32 1.61 0.01 -1.26 -4.88 113.70 115.85 2k6b s SER 1 Ca 0.00 -0.28 0.10 0.00 1.31 0.00 0.00 55.95 57.08 2k6b s SER 1 Cb 0.00 -2.47 0.94 0.00 0.21 0.00 0.00 66.02 64.71 2k6b s SER 1 CO 0.00 -1.31 1.68 0.00 0.41 0.00 0.00 173.24 174.02 2k6b h ALA 2 N 9.40 1.75 0.44 1.44 0.00 -2.04 0.17 119.26 130.40 2k6b h ALA 2 Ca -0.26 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2k6b h ALA 2 Cb 1.07 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2k6b h ALA 2 CO 1.12 -0.46 -0.34 0.22 0.00 0.00 0.00 179.25 179.79 2k6b h ASP 3 N 0.37 -0.89 -0.24 0.00 3.58 -1.99 -0.61 116.42 116.65 2k6b h ASP 3 Ca 0.67 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 58.17 2k6b h ASP 3 Cb 1.42 0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.74 2k6b h ASP 3 CO -0.58 -0.50 0.10 -0.33 -2.88 0.00 0.00 179.24 175.05 2k6b h GLU 4 N -0.77 0.35 0.00 0.28 5.08 -1.53 0.18 114.58 118.17 2k6b h GLU 4 Ca -0.04 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 2k6b h GLU 4 Cb 0.66 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2k6b h GLU 4 CO -0.00 0.39 -0.27 1.05 -1.00 0.00 0.00 179.01 179.18 2k6b h GLU 5 N 0.23 0.00 0.00 2.33 4.11 -1.02 0.19 114.58 120.43 2k6b h GLU 5 Ca 0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.50 2k6b h GLU 5 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2k6b h GLU 5 CO -0.01 0.27 -0.05 1.25 0.07 0.00 0.00 179.01 180.55 2k6b h LEU 6 N 0.00 0.04 -0.29 3.06 5.85 -0.80 -3.20 115.31 119.97 2k6b h LEU 6 Ca -0.00 -0.86 0.01 0.00 0.84 0.00 0.00 57.88 57.87 2k6b h LEU 6 Cb 0.60 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 2k6b h LEU 6 CO 0.04 0.89 0.18 -0.08 -0.34 0.00 0.00 178.44 179.13 2k6b h GLU 7 N -0.81 0.36 -0.67 1.25 4.57 -0.28 -1.98 114.58 117.02 2k6b h GLU 7 Ca -0.01 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 2k6b h GLU 7 Cb 0.90 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.38 2k6b h GLU 7 CO 0.01 0.24 0.29 0.00 -1.18 0.00 0.00 179.01 178.37 2k6b h ALA 8 N 1.12 1.26 -0.37 2.92 0.00 -0.78 0.98 119.26 124.38 2k6b h ALA 8 Ca 0.11 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2k6b h ALA 8 Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2k6b h ALA 8 CO -0.04 0.56 -0.33 1.25 0.00 0.00 0.00 179.25 180.69 2k6b h LEU 9 N 0.96 0.94 -0.32 0.00 6.46 -1.46 0.27 115.31 122.16 2k6b h LEU 9 Ca 0.23 -0.46 -0.04 0.00 -0.12 0.00 0.00 57.88 57.49 2k6b h LEU 9 Cb 0.14 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 2k6b h LEU 9 CO -0.03 1.20 0.03 -0.09 -0.62 0.00 0.00 178.44 178.94 2k6b h ARG 10 N 0.69 0.54 0.00 1.25 2.43 -1.01 -2.87 114.38 115.41 2k6b h ARG 10 Ca 0.06 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 2k6b h ARG 10 Cb 0.92 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2k6b h ARG 10 CO 0.08 0.65 -0.13 0.00 -1.51 0.00 0.00 179.97 179.06 2k6b h ARG 11 N 0.36 0.00 -0.60 0.20 3.08 -0.62 -0.28 114.38 116.52 2k6b h ARG 11 Ca 0.09 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 2k6b h ARG 11 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 2k6b h ARG 11 CO 0.01 0.13 0.26 0.37 -1.07 0.00 0.00 179.97 179.67 2k6b h GLN 12 N 0.00 0.88 -0.53 0.04 4.15 -0.73 0.11 115.11 119.03 2k6b h GLN 12 Ca -0.00 -0.15 -0.09 0.00 0.77 0.00 0.00 58.65 59.19 2k6b h GLN 12 Cb 0.24 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 2k6b h GLN 12 CO 0.02 0.73 -0.01 -0.09 -1.93 0.00 0.00 178.83 177.55 2k6b h ARG 13 N 0.83 0.94 0.00 1.69 1.12 -1.15 -2.17 114.38 115.64 2k6b h ARG 13 Ca 0.20 -0.31 -0.04 0.00 -1.11 0.00 0.00 59.98 58.73 2k6b h ARG 13 Cb 0.16 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.03 2k6b h ARG 13 CO -0.02 0.96 -0.20 1.25 -3.11 0.00 0.00 179.97 178.85 2k6b h LEU 14 N 0.82 0.00 -0.61 3.80 7.12 -0.72 -1.39 115.31 124.33 2k6b h LEU 14 Ca 0.15 0.00 -0.15 0.00 0.13 0.00 0.00 57.88 58.01 2k6b h LEU 14 Cb 0.54 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.65 2k6b h LEU 14 CO 0.03 0.20 -0.69 0.00 -0.13 0.00 0.00 178.44 177.85 2k6b h ALA 15 N 1.80 0.85 0.00 1.25 0.00 -0.16 -2.36 119.26 120.63 2k6b h ALA 15 Ca -0.00 -0.63 -0.17 0.00 0.00 0.00 0.00 54.91 54.12 2k6b h ALA 15 Cb 0.37 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2k6b h ALA 15 CO 0.03 0.86 -0.79 0.93 0.00 0.00 0.00 179.25 180.27 2k6b h GLU 16 N 0.01 0.00 -0.25 0.00 4.39 -1.00 -3.02 114.58 114.72 2k6b h GLU 16 Ca -0.01 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 2k6b h GLU 16 Cb 1.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 2k6b h GLU 16 CO 0.09 0.79 -0.14 1.25 -1.16 0.00 0.00 179.01 179.84 2k6b h LEU 17 N 0.00 0.40 0.00 1.33 6.46 -1.00 -3.46 115.31 119.03 2k6b h LEU 17 Ca -0.01 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 2k6b h LEU 17 Cb 1.59 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.42 2k6b h LEU 17 CO 0.10 0.57 0.00 0.00 -0.62 0.00 0.00 178.44 178.49 2k6b n GLN 18 N -4.21 0.00 -2.54 1.25 6.02 -0.91 -4.88 117.38 112.10 2k6b n GLN 18 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 2k6b n GLN 18 Cb 0.31 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.55 2k6b n GLN 18 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k6b s ALA 19 N -0.04 2.88 0.02 -1.58 0.00 -1.26 -4.70 121.76 117.08 2k6b s ALA 19 Ca 0.00 -2.47 -0.11 0.00 0.00 0.00 0.00 51.96 49.38 2k6b s ALA 19 Cb 0.00 -4.58 -0.32 0.00 0.00 0.00 0.00 23.12 18.22 2k6b s ALA 19 CO 0.00 -3.58 0.96 0.87 0.00 0.00 0.00 175.76 174.01 2k6b h LYS 20 N 9.03 0.42 -5.15 0.00 1.57 -1.90 -3.49 116.57 117.05 2k6b h LYS 20 Ca 0.29 -0.72 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2k6b h LYS 20 Cb 0.96 0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2k6b h LYS 20 CO 1.43 1.33 -0.05 1.58 -0.57 0.00 0.00 179.45 183.17 2k6b n HIS 21 N -3.62 -2.77 -2.66 -1.35 -0.00 -1.26 -4.99 115.22 98.56 2k6b n HIS 21 Ca -0.16 1.07 -0.05 0.00 -0.00 0.00 0.00 57.72 58.58 2k6b n HIS 21 Cb 1.08 -3.88 0.04 0.00 -0.00 0.00 0.00 29.99 27.23 2k6b n HIS 21 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2k6b n GLY 22 N -1.54 2.69 3.95 1.57 0.00 -1.26 -5.07 105.19 105.52 2k6b n GLY 22 Ca 0.01 -1.37 -0.22 0.00 0.00 0.00 0.00 46.02 44.44 2k6b n GLY 22 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k6b s ASP 23 N -3.71 4.96 0.55 1.61 -4.77 -1.26 -5.00 116.67 109.05 2k6b s ASP 23 Ca 0.32 -0.94 0.31 0.00 -3.30 0.00 0.00 52.55 48.94 2k6b s ASP 23 Cb 0.34 0.08 1.47 0.00 -1.09 0.00 0.00 42.92 43.72 2k6b s ASP 23 CO -0.03 -1.06 1.87 -0.65 0.70 0.00 0.00 175.17 176.00 2k6b h PRO 24 N 0.61 0.00 0.00 2.11 0.11 -1.98 -3.45 132.00 129.40 2k6b h PRO 24 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2k6b h PRO 24 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2k6b h PRO 24 CO 0.51 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.71 2k6b n GLY 25 N -1.67 1.29 0.00 -0.55 0.00 -1.26 -4.91 105.19 98.09 2k6b n GLY 25 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.23 2k6b n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k6b n ASP 26 N 0.00 2.82 0.24 1.61 2.03 -1.26 -4.46 116.55 117.53 2k6b n ASP 26 Ca 0.00 -0.03 0.11 0.00 0.52 0.00 0.00 54.79 55.40 2k6b n ASP 26 Cb 0.00 1.40 0.61 0.00 -0.72 0.00 0.00 41.12 42.41 2k6b n ASP 26 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k6b h ALA 27 N 0.85 1.16 -0.61 -1.67 0.00 -1.93 -2.41 119.26 114.66 2k6b h ALA 27 Ca 0.00 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.84 2k6b h ALA 27 Cb 0.41 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 2k6b h ALA 27 CO 0.00 0.21 0.24 0.00 0.00 0.00 0.00 179.25 179.71 2k6b h ALA 28 N 1.83 0.79 -0.31 0.00 0.00 -1.95 -0.26 119.26 119.36 2k6b h ALA 28 Ca -0.00 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2k6b h ALA 28 Cb 0.52 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2k6b h ALA 28 CO 0.02 -0.17 -0.18 -0.56 0.00 0.00 0.00 179.25 178.36 2k6b h GLN 29 N 0.43 0.56 -0.43 0.00 3.07 -1.72 -0.54 115.11 116.49 2k6b h GLN 29 Ca 0.31 -0.19 -0.11 0.00 0.09 0.00 0.00 58.65 58.74 2k6b h GLN 29 Cb 0.36 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.86 2k6b h GLN 29 CO -0.29 0.72 -0.16 1.96 0.09 0.00 0.00 178.83 181.15 2k6b h GLN 30 N 0.51 0.87 -0.15 0.06 4.20 -1.47 0.66 115.11 119.79 2k6b h GLN 30 Ca 0.08 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 2k6b h GLN 30 Cb 0.60 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 2k6b h GLN 30 CO 0.04 1.00 0.04 1.49 -0.67 0.00 0.00 178.83 180.73 2k6b h GLU 31 N 0.70 0.24 -0.63 1.46 4.81 -0.73 0.20 114.58 120.63 2k6b h GLU 31 Ca 0.10 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2k6b h GLU 31 Cb 0.72 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 2k6b h GLU 31 CO 0.05 0.39 0.39 0.00 -0.73 0.00 0.00 179.01 179.11 2k6b h ALA 32 N 0.84 0.80 -0.49 2.92 0.00 -0.97 0.23 119.26 122.59 2k6b h ALA 32 Ca 0.05 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2k6b h ALA 32 Cb 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2k6b h ALA 32 CO 0.00 0.27 -0.19 -0.22 0.00 0.00 0.00 179.25 179.11 2k6b h LYS 33 N 0.86 0.99 -0.59 0.00 1.63 -0.67 0.23 116.57 119.01 2k6b h LYS 33 Ca 0.23 -0.41 -0.05 0.00 -0.85 0.00 0.00 60.65 59.57 2k6b h LYS 33 Cb -0.04 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.53 2k6b h LYS 33 CO -0.04 1.09 0.18 1.25 -3.45 0.00 0.00 179.45 178.47 2k6b h HIS 34 N 0.86 0.96 -0.03 1.91 2.76 -0.24 -2.04 115.15 119.34 2k6b h HIS 34 Ca 0.12 -0.10 -0.05 0.00 -2.20 0.00 0.00 60.37 58.13 2k6b h HIS 34 Cb 0.77 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 2k6b h HIS 34 CO 0.05 0.80 -0.23 -0.09 -1.30 0.00 0.00 177.93 177.16 2k6b h ARG 35 N 0.85 0.05 0.80 5.26 2.43 -0.14 0.12 114.38 123.75 2k6b h ARG 35 Ca 0.19 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 2k6b h ARG 35 Cb 0.29 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2k6b h ARG 35 CO -0.01 0.28 -0.38 0.93 -1.51 0.00 0.00 179.97 179.28 2k6b h GLU 36 N 0.04 -1.03 -0.89 0.20 5.08 -0.42 -2.09 114.58 115.48 2k6b h GLU 36 Ca 0.01 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2k6b h GLU 36 Cb 0.43 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 2k6b h GLU 36 CO 0.03 -0.68 0.54 0.00 -1.00 0.00 0.00 179.01 177.90 2k6b h ALA 37 N -1.16 1.13 -0.02 3.43 0.00 -1.04 0.19 119.26 121.80 2k6b h ALA 37 Ca -0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2k6b h ALA 37 Cb 0.83 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2k6b h ALA 37 CO 0.18 0.59 0.01 1.49 0.00 0.00 0.00 179.25 181.52 2k6b h GLU 38 N 1.22 0.02 -0.37 0.00 4.22 -0.83 0.76 114.58 119.61 2k6b h GLU 38 Ca 0.32 -0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.65 2k6b h GLU 38 Cb -0.05 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2k6b h GLU 38 CO -0.06 0.08 -0.17 1.98 -2.18 0.00 0.00 179.01 178.66 2k6b h MET 39 N -0.04 0.76 0.20 1.92 4.05 -0.81 -1.49 114.93 119.53 2k6b h MET 39 Ca 0.01 -0.33 0.00 0.00 -0.28 0.00 0.00 59.70 59.10 2k6b h MET 39 Cb 0.06 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 2k6b h MET 39 CO -0.00 0.94 -0.20 0.00 0.23 0.00 0.00 176.91 177.88 2k6b h ARG 40 N 0.56 -0.42 0.00 0.39 3.08 -0.46 -2.23 114.38 115.30 2k6b h ARG 40 Ca 0.08 0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 2k6b h ARG 40 Cb 0.71 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 2k6b h ARG 40 CO 0.05 -0.28 -0.19 -0.91 -1.07 0.00 0.00 179.97 177.57 2k6b h ASN 41 N -0.43 0.00 -0.33 7.04 2.35 -0.79 0.11 115.58 123.52 2k6b h ASN 41 Ca -0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 2k6b h ASN 41 Cb 0.41 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 2k6b h ASN 41 CO -0.05 0.19 -0.29 0.28 -1.65 0.00 0.00 177.43 175.92 2k6b h SER 42 N 0.00 0.88 0.18 5.81 0.02 -0.88 -0.48 113.55 119.08 2k6b h SER 42 Ca -0.00 -0.35 -0.24 0.00 -0.84 0.00 0.00 61.79 60.36 2k6b h SER 42 Cb 0.42 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.73 2k6b h SER 42 CO 0.03 1.11 -0.94 0.16 -1.14 0.00 0.00 176.83 176.04 2k6b h ILE 43 N 0.72 1.35 -0.71 3.27 3.07 -0.63 -3.23 117.51 121.35 2k6b h ILE 43 Ca 0.08 -2.32 0.04 0.00 1.55 0.00 0.00 64.86 64.21 2k6b h ILE 43 Cb 0.84 2.34 -0.05 0.00 -0.27 0.00 0.00 36.82 39.68 2k6b h ILE 43 CO 0.07 0.70 0.44 -0.07 -1.05 0.00 0.00 178.15 178.25 2k6b h LEU 44 N 0.32 0.71 -2.38 0.16 3.38 -0.74 -1.71 115.31 115.05 2k6b h LEU 44 Ca -0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2k6b h LEU 44 Cb 1.58 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 2k6b h LEU 44 CO 0.17 0.49 -0.02 0.00 0.09 0.00 0.00 178.44 179.17 2k6b h ALA 45 N 1.31 1.08 0.06 1.53 0.00 -1.10 0.30 119.26 122.43 2k6b h ALA 45 Ca 0.29 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.87 2k6b h ALA 45 Cb 0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2k6b h ALA 45 CO -0.12 0.02 -1.76 1.96 0.00 0.00 0.00 179.25 179.35 2k6b h GLN 46 N 0.00 0.13 0.02 0.00 1.08 -1.37 -3.38 115.11 111.58 2k6b h GLN 46 Ca -0.00 -0.22 -0.30 0.00 -1.45 0.00 0.00 58.65 56.69 2k6b h GLN 46 Cb 0.19 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.66 2k6b h GLN 46 CO 0.00 0.84 -1.69 -0.39 -0.95 0.00 0.00 178.83 176.64 2k6b h VAL 47 N 0.03 0.89 -3.36 -0.54 -1.51 -0.82 -3.45 116.25 107.49 2k6b h VAL 47 Ca -0.32 -2.71 -0.57 0.00 -1.23 0.00 0.00 66.70 61.87 2k6b h VAL 47 Cb 2.02 2.47 -0.06 0.00 -2.13 0.00 0.00 31.29 33.58 2k6b h VAL 47 CO 0.10 0.59 0.12 -0.76 -1.23 0.00 0.00 177.57 176.38 2k6b s LEU 48 N -6.30 4.26 0.99 4.19 1.43 0.99 0.19 118.68 124.44 2k6b s LEU 48 Ca -0.07 1.09 -0.16 0.00 -1.03 0.00 0.00 54.13 53.97 2k6b s LEU 48 Cb 0.08 -3.04 0.19 0.00 0.03 0.00 0.00 46.19 43.46 2k6b s LEU 48 CO 0.82 -0.17 1.23 -0.62 0.23 0.00 0.00 176.35 177.83 2k6b s ASP 49 N 0.90 2.86 0.20 2.29 2.15 -0.74 -4.65 116.67 119.69 2k6b s ASP 49 Ca 0.35 0.53 -0.14 0.00 0.43 0.00 0.00 52.55 53.72 2k6b s ASP 49 Cb -0.17 -0.76 0.22 0.00 -0.30 0.00 0.00 42.92 41.92 2k6b s ASP 49 CO 0.15 -2.91 1.64 1.56 -0.17 0.00 0.00 175.17 175.44 2k6b h GLN 50 N -1.76 0.01 -0.20 4.34 4.20 -1.94 0.91 115.11 120.68 2k6b h GLN 50 Ca -0.46 -0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.10 2k6b h GLN 50 Cb 1.28 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 2k6b h GLN 50 CO 0.45 0.01 -0.47 0.77 -0.67 0.00 0.00 178.83 178.91 2k6b h SER 51 N 0.01 0.77 -0.63 1.46 0.02 -1.93 -0.72 113.55 112.53 2k6b h SER 51 Ca 0.29 -0.56 -0.08 0.00 -0.84 0.00 0.00 61.79 60.60 2k6b h SER 51 Cb 0.44 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 2k6b h SER 51 CO -0.60 1.19 0.09 0.00 -1.14 0.00 0.00 176.83 176.37 2k6b h ALA 52 N 0.60 0.84 -0.47 3.77 0.00 -1.66 0.13 119.26 122.47 2k6b h ALA 52 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2k6b h ALA 52 Cb 1.08 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2k6b h ALA 52 CO 0.10 0.61 0.20 -0.09 0.00 0.00 0.00 179.25 180.08 2k6b h ARG 53 N 0.96 0.69 -0.39 0.00 9.65 -0.72 -2.11 114.38 122.46 2k6b h ARG 53 Ca 0.19 -0.12 -0.10 0.00 -1.10 0.00 0.00 59.98 58.85 2k6b h ARG 53 Cb 0.45 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.90 2k6b h ARG 53 CO 0.02 0.61 -0.16 0.00 2.80 0.00 0.00 179.97 183.23 2k6b h ALA 54 N 1.05 0.98 0.15 2.80 0.00 -0.91 -3.14 119.26 120.18 2k6b h ALA 54 Ca 0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2k6b h ALA 54 Cb 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2k6b h ALA 54 CO -0.02 0.60 -0.07 -0.09 0.00 0.00 0.00 179.25 179.67 2k6b h ARG 55 N 0.65 -0.20 0.00 0.00 9.65 -0.15 -2.07 114.38 122.27 2k6b h ARG 55 Ca 0.10 0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 58.92 2k6b h ARG 55 Cb 0.64 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.25 2k6b h ARG 55 CO 0.05 -0.09 -0.39 1.37 2.80 0.00 0.00 179.97 183.71 2k6b h LEU 56 N -0.25 0.00 -0.90 3.80 -0.00 -1.47 -1.65 115.31 114.83 2k6b h LEU 56 Ca -0.02 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2k6b h LEU 56 Cb 0.20 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.81 2k6b h LEU 56 CO 0.03 0.39 0.59 0.28 -0.00 0.00 0.00 178.44 179.73 2k6b h SER 57 N 0.00 1.05 -0.70 0.17 0.02 -1.45 -1.05 113.55 111.58 2k6b h SER 57 Ca -0.00 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2k6b h SER 57 Cb 0.79 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 2k6b h SER 57 CO 0.05 0.77 0.42 -1.13 -1.14 0.00 0.00 176.83 175.80 2k6b h ASN 58 N 1.23 0.85 -0.78 3.07 -0.00 -0.62 -2.48 115.58 116.86 2k6b h ASN 58 Ca 0.33 -0.07 0.11 0.00 -0.00 0.00 0.00 56.30 56.67 2k6b h ASN 58 Cb -0.12 -0.22 -0.05 0.00 -0.00 0.00 0.00 38.32 37.93 2k6b h ASN 58 CO -0.07 0.67 0.51 -0.07 -0.00 0.00 0.00 177.43 178.47 2k6b h LEU 59 N 0.96 0.58 -2.32 0.34 -0.00 -0.50 -1.21 115.31 113.16 2k6b h LEU 59 Ca 0.25 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 58.14 2k6b h LEU 59 Cb -0.02 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 40.54 2k6b h LEU 59 CO -0.05 0.33 -0.04 0.00 -0.00 0.00 0.00 178.44 178.68 2k6b h ALA 60 N 1.62 1.34 -0.00 1.53 0.00 -0.78 0.46 119.26 123.43 2k6b h ALA 60 Ca 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2k6b h ALA 60 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2k6b h ALA 60 CO -0.14 0.05 -0.86 1.28 0.00 0.00 0.00 179.25 179.58 2k6b n LEU 61 N -3.63 1.20 -0.03 0.00 4.32 -0.48 -4.22 117.00 114.17 2k6b n LEU 61 Ca -0.02 -0.53 -0.05 0.00 -0.02 0.00 0.00 56.01 55.39 2k6b n LEU 61 Cb 0.14 -0.01 -0.02 0.00 -1.62 0.00 0.00 43.42 41.91 2k6b n LEU 61 CO 0.27 0.27 -0.69 1.33 -1.22 0.00 0.00 177.39 177.35 2k6b n VAL 62 N -1.18 0.32 -3.31 4.08 0.24 -0.50 -4.93 118.33 113.05 2k6b n VAL 62 Ca 0.05 -0.11 -0.23 0.00 -2.04 0.00 0.00 64.34 62.01 2k6b n VAL 62 Cb 0.36 -1.00 -0.09 0.00 -1.47 0.00 0.00 33.84 31.65 2k6b n VAL 62 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2k6b s LYS 63 N -2.11 0.87 0.59 7.34 1.02 0.15 -5.00 119.74 122.59 2k6b s LYS 63 Ca -0.08 -1.79 0.37 0.00 0.02 0.00 0.00 55.97 54.49 2k6b s LYS 63 Cb 0.02 -1.16 1.76 0.00 -0.52 0.00 0.00 37.83 37.93 2k6b s LYS 63 CO 0.12 -1.35 2.14 -1.35 -0.92 0.00 0.00 175.35 173.99 2k6b h PRO 64 N 5.80 0.00 -0.71 -1.68 0.11 -1.72 -1.29 132.00 132.52 2k6b h PRO 64 Ca 0.20 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.24 2k6b h PRO 64 Cb 0.95 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 2k6b h PRO 64 CO 0.30 0.02 0.18 1.49 -0.21 0.00 0.00 178.00 179.77 2k6b h GLU 65 N 0.00 1.13 0.00 1.05 4.81 -1.93 -2.72 114.58 116.92 2k6b h GLU 65 Ca -0.00 -0.27 -0.12 0.00 -0.13 0.00 0.00 59.36 58.84 2k6b h GLU 65 Cb 0.31 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2k6b h GLU 65 CO 0.00 0.99 -0.59 0.87 -0.73 0.00 0.00 179.01 179.56 2k6b h LYS 66 N 1.07 0.00 -0.02 1.92 1.79 -1.58 -2.08 116.57 117.68 2k6b h LYS 66 Ca 0.22 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.71 2k6b h LYS 66 Cb 0.37 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.99 2k6b h LYS 66 CO 0.00 0.59 -0.11 1.15 -1.08 0.00 0.00 179.45 180.00 2k6b h THR 67 N 0.00 0.72 -0.27 -0.16 2.02 -1.34 0.28 112.91 114.16 2k6b h THR 67 Ca -0.01 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 2k6b h THR 67 Cb 1.14 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 2k6b h THR 67 CO 0.08 0.00 -0.05 0.11 0.37 0.00 0.00 175.52 176.03 2k6b h LYS 68 N -0.18 0.43 0.11 6.66 6.56 -1.29 0.25 116.57 129.10 2k6b h LYS 68 Ca 0.05 -0.09 -0.01 0.00 -1.06 0.00 0.00 60.65 59.54 2k6b h LYS 68 Cb 0.24 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.84 2k6b h LYS 68 CO -0.12 0.50 -0.05 0.00 -2.06 0.00 0.00 179.45 177.72 2k6b h ALA 69 N 1.55 -0.14 -0.41 3.86 0.00 -0.88 -1.48 119.26 121.75 2k6b h ALA 69 Ca 0.09 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2k6b h ALA 69 Cb 0.35 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2k6b h ALA 69 CO 0.02 -0.44 -0.20 -0.39 0.00 0.00 0.00 179.25 178.24 2k6b h VAL 70 N -0.43 1.27 -0.45 0.00 -1.51 -0.16 0.56 116.25 115.53 2k6b h VAL 70 Ca -0.01 -1.31 0.05 0.00 -1.23 0.00 0.00 66.70 64.20 2k6b h VAL 70 Cb 0.35 1.16 -0.05 0.00 -2.13 0.00 0.00 31.29 30.63 2k6b h VAL 70 CO 0.02 0.44 0.17 -0.33 -1.23 0.00 0.00 177.57 176.65 2k6b h GLU 71 N 0.71 0.34 -0.26 5.19 5.08 -0.48 0.10 114.58 125.26 2k6b h GLU 71 Ca 0.10 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2k6b h GLU 71 Cb 0.71 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2k6b h GLU 71 CO 0.05 0.23 0.05 -0.97 -1.00 0.00 0.00 179.01 177.37 2k6b h ASN 72 N 0.35 0.41 -0.88 1.42 -1.24 -1.04 -2.16 115.58 112.44 2k6b h ASN 72 Ca 0.21 -0.25 0.02 0.00 0.71 0.00 0.00 56.30 56.99 2k6b h ASN 72 Cb 0.19 -0.11 -0.05 0.00 0.73 0.00 0.00 38.32 39.08 2k6b h ASN 72 CO -0.20 0.55 0.57 0.22 -1.29 0.00 0.00 177.43 177.29 2k6b h TYR 73 N 0.24 1.08 -0.49 0.67 5.03 -0.28 0.15 116.97 123.37 2k6b h TYR 73 Ca 0.08 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.32 2k6b h TYR 73 Cb 0.32 -0.36 -0.02 0.00 1.55 0.00 0.00 36.73 38.21 2k6b h TYR 73 CO 0.02 0.66 -0.08 -0.07 -1.32 0.00 0.00 178.16 177.36 2k6b h LEU 74 N 1.15 0.88 -0.27 2.82 -0.00 -0.72 0.26 115.31 119.42 2k6b h LEU 74 Ca 0.33 -0.26 0.02 0.00 -0.00 0.00 0.00 57.88 57.97 2k6b h LEU 74 Cb -0.07 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.33 2k6b h LEU 74 CO -0.09 0.99 0.12 0.40 -0.00 0.00 0.00 178.44 179.86 2k6b h ILE 75 N 0.80 0.98 -0.65 1.22 2.04 -0.55 0.25 117.51 121.60 2k6b h ILE 75 Ca 0.14 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.91 2k6b h ILE 75 Cb 0.60 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 2k6b h ILE 75 CO 0.04 0.05 0.43 1.56 0.00 0.00 0.00 178.15 180.22 2k6b h GLN 76 N 0.27 0.86 -0.63 2.37 1.08 -0.43 0.30 115.11 118.92 2k6b h GLN 76 Ca 0.11 -0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.28 2k6b h GLN 76 Cb 0.05 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.25 2k6b h GLN 76 CO -0.09 0.58 0.40 1.98 -0.95 0.00 0.00 178.83 180.74 2k6b h MET 77 N 0.88 0.77 -0.31 1.46 4.05 -0.03 0.21 114.93 121.96 2k6b h MET 77 Ca 0.24 -0.05 -0.14 0.00 -0.28 0.00 0.00 59.70 59.48 2k6b h MET 77 Cb -0.09 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.53 2k6b h MET 77 CO -0.05 0.51 -0.36 0.00 0.23 0.00 0.00 176.91 177.24 2k6b h ALA 78 N 1.27 0.79 -0.41 0.39 0.00 -0.47 -3.11 119.26 117.72 2k6b h ALA 78 Ca 0.25 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2k6b h ALA 78 Cb -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2k6b h ALA 78 CO -0.09 0.65 -0.04 0.00 0.00 0.00 0.00 179.25 179.77 2k6b h ARG 79 N 0.58 0.67 0.00 0.00 2.47 0.63 -2.24 114.38 116.50 2k6b h ARG 79 Ca 0.06 -0.18 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 2k6b h ARG 79 Cb 0.88 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.13 2k6b h ARG 79 CO 0.08 0.72 0.00 0.66 0.56 0.00 0.00 179.97 181.98 2k6b n TYR 80 N -4.22 0.34 -1.67 3.04 4.01 0.65 -4.87 117.16 114.45 2k6b n TYR 80 Ca 0.02 0.11 -0.10 0.00 -0.16 0.00 0.00 57.90 57.77 2k6b n TYR 80 Cb 0.30 -0.69 -0.03 0.00 -0.31 0.00 0.00 39.34 38.61 2k6b n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2k6b n GLY 81 N 0.77 0.68 1.20 2.72 0.00 -0.84 -4.86 105.19 104.85 2k6b n GLY 81 Ca 0.05 -0.51 0.11 0.00 0.00 0.00 0.00 46.02 45.66 2k6b n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6b n GLN 82 N -2.41 2.69 -2.36 1.61 10.64 -1.19 -4.82 117.38 121.53 2k6b n GLN 82 Ca -0.11 -2.49 -0.40 0.00 -1.83 0.00 0.00 57.00 52.16 2k6b n GLN 82 Cb 0.44 -1.51 -0.03 0.00 -0.86 0.00 0.00 30.24 28.29 2k6b n GLN 82 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 2k6b s LEU 83 N -1.07 3.26 -0.12 2.61 1.98 -1.24 -4.80 118.68 119.30 2k6b s LEU 83 Ca 0.43 -0.02 -0.09 0.00 -2.89 0.00 0.00 54.13 51.56 2k6b s LEU 83 Cb 0.23 -2.69 -0.26 0.00 0.66 0.00 0.00 46.19 44.13 2k6b s LEU 83 CO 0.30 -1.96 0.38 0.28 -1.89 0.00 0.00 176.35 173.46 2k6b h SER 84 N 11.76 0.38 -2.95 3.68 0.02 -1.95 -3.50 113.55 120.99 2k6b h SER 84 Ca -0.27 -0.90 -0.12 0.00 -0.84 0.00 0.00 61.79 59.66 2k6b h SER 84 Cb 1.09 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 2k6b h SER 84 CO 1.23 1.80 0.04 -0.62 -1.14 0.00 0.00 176.83 178.14 2k6b n GLU 85 N -3.63 0.67 -1.65 3.45 -0.58 -1.26 -5.13 120.64 112.51 2k6b n GLU 85 Ca -0.31 -1.88 -0.45 0.00 -0.42 0.00 0.00 57.16 54.10 2k6b n GLU 85 Cb 1.00 2.03 -0.02 0.00 -0.57 0.00 0.00 31.44 33.88 2k6b n GLU 85 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2k6b n LYS 86 N -0.41 1.79 -2.78 3.49 4.76 -1.26 -4.92 118.16 118.82 2k6b n LYS 86 Ca -0.03 0.63 -0.42 0.00 -2.87 0.00 0.00 58.31 55.62 2k6b n LYS 86 Cb 0.44 -2.18 -0.03 0.00 -1.84 0.00 0.00 35.03 31.41 2k6b n LYS 86 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2k6b s VAL 87 N -0.60 4.67 0.92 -0.18 1.01 0.13 -4.87 120.40 121.48 2k6b s VAL 87 Ca 0.63 1.55 -0.13 0.00 0.00 0.00 0.00 61.98 64.02 2k6b s VAL 87 Cb -0.66 -4.27 0.15 0.00 0.00 0.00 0.00 36.38 31.59 2k6b s VAL 87 CO 0.56 -0.32 1.17 -0.44 0.00 0.00 0.00 175.10 176.07 2k6b s SER 88 N 1.55 3.42 0.23 3.32 0.01 -1.26 -1.79 113.70 119.18 2k6b s SER 88 Ca 0.39 0.80 -0.05 0.00 1.31 0.00 0.00 55.95 58.41 2k6b s SER 88 Cb -0.14 -1.26 0.23 0.00 0.21 0.00 0.00 66.02 65.07 2k6b s SER 88 CO 0.12 -2.59 1.72 -0.08 0.41 0.00 0.00 173.24 172.82 2k6b h GLU 89 N -1.53 0.91 0.00 12.44 4.81 -1.90 -0.34 114.58 128.97 2k6b h GLU 89 Ca -0.48 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 58.45 2k6b h GLU 89 Cb 1.31 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 2k6b h GLU 89 CO 0.57 0.90 -0.19 -0.56 -0.73 0.00 0.00 179.01 178.99 2k6b h GLN 90 N 0.84 0.00 -0.28 1.92 -0.00 -1.97 -0.72 115.11 114.90 2k6b h GLN 90 Ca 0.16 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.62 2k6b h GLN 90 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.97 2k6b h GLN 90 CO 0.02 0.19 -0.56 0.78 -0.00 0.00 0.00 178.83 179.26 2k6b h GLY 91 N 1.47 0.96 1.21 0.06 0.00 -1.44 -0.69 103.07 104.64 2k6b h GLY 91 Ca -0.00 -1.13 -0.10 0.00 0.00 0.00 0.00 47.33 46.10 2k6b h GLY 91 CO 0.02 1.01 -0.06 -2.00 0.00 0.00 0.00 176.54 175.52 2k6b h LEU 92 N 0.67 0.92 -1.26 3.11 5.85 -0.74 -2.35 115.31 121.52 2k6b h LEU 92 Ca 0.01 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 2k6b h LEU 92 Cb 1.17 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 2k6b h LEU 92 CO 0.12 1.02 0.37 0.40 -0.34 0.00 0.00 178.44 180.01 2k6b h ILE 93 N 0.85 1.19 -0.47 4.05 2.04 -0.90 0.45 117.51 124.71 2k6b h ILE 93 Ca 0.14 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 2k6b h ILE 93 Cb 0.59 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2k6b h ILE 93 CO 0.04 0.20 0.27 -0.08 0.00 0.00 0.00 178.15 178.57 2k6b h GLU 94 N 0.89 0.66 -0.11 2.37 4.57 -0.71 0.73 114.58 122.98 2k6b h GLU 94 Ca 0.23 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 2k6b h GLU 94 Cb -0.01 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.45 2k6b h GLU 94 CO -0.04 0.51 0.03 0.82 -1.18 0.00 0.00 179.01 179.15 2k6b h ILE 95 N 0.63 1.20 -0.95 2.32 2.04 -0.85 -3.23 117.51 118.67 2k6b h ILE 95 Ca 0.17 -0.62 0.04 0.00 1.00 0.00 0.00 64.86 65.44 2k6b h ILE 95 Cb 0.04 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 2k6b h ILE 95 CO -0.03 0.18 0.62 0.25 0.00 0.00 0.00 178.15 179.17 2k6b h LEU 96 N -0.03 1.02 -0.59 1.44 5.85 0.37 -0.59 115.31 122.79 2k6b h LEU 96 Ca 0.04 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2k6b h LEU 96 Cb 0.26 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2k6b h LEU 96 CO 0.00 0.70 0.25 0.11 -0.34 0.00 0.00 178.44 179.15 2k6b h LYS 97 N 1.18 0.87 -0.10 1.25 1.57 -0.89 -0.17 116.57 120.28 2k6b h LYS 97 Ca 0.38 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.94 2k6b h LYS 97 Cb 0.02 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.19 2k6b h LYS 97 CO -0.12 0.73 -0.20 0.87 -0.57 0.00 0.00 179.45 180.17 2k6b h LYS 98 N 0.81 0.31 0.00 3.15 1.57 -1.43 -2.99 116.57 117.98 2k6b h LYS 98 Ca 0.20 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2k6b h LYS 98 Cb 0.18 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 2k6b h LYS 98 CO -0.02 0.80 -0.05 -0.39 -0.57 0.00 0.00 179.45 179.21 2k6b h VAL 99 N -0.14 0.42 0.00 0.50 -1.51 -1.06 0.25 116.25 114.72 2k6b h VAL 99 Ca 0.00 -0.26 -0.02 0.00 -1.23 0.00 0.00 66.70 65.20 2k6b h VAL 99 Cb 0.79 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 31.12 2k6b h VAL 99 CO 0.04 0.05 -0.07 -1.28 -1.23 0.00 0.00 177.57 175.08 2k6b h SER 100 N 0.00 0.00 0.00 4.19 0.87 -0.87 -3.29 113.55 114.45 2k6b h SER 100 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k6b h SER 100 Cb 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2k6b h SER 100 CO 0.01 0.07 -0.35 0.00 -0.53 0.00 0.00 176.83 176.04 2k6b n GLN 101 N -3.46 0.18 0.00 2.24 6.02 -0.33 -5.06 117.38 116.97 2k6b n GLN 101 Ca -0.02 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2k6b n GLN 101 Cb 0.21 -0.80 0.00 0.00 1.02 0.00 0.00 30.24 30.67 2k6b n GLN 101 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2k6b n GLN 102 N -3.20 0.00 0.00 -1.09 6.02 0.74 -5.12 117.38 114.73 2k6b n GLN 102 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 2k6b n GLN 102 Cb 0.18 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.44 2k6b n GLN 102 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2k6b n THR 103 N 0.00 0.00 0.00 5.09 -1.04 -1.17 -4.32 114.28 112.84 2k6b n THR 103 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2k6b n THR 103 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2k6b n THR 103 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2k6b n GLU 104 N -2.09 0.00 -3.80 -2.82 2.13 -1.26 -3.40 120.64 109.40 2k6b n GLU 104 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 2k6b n GLU 104 Cb 0.00 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.57 2k6b n GLU 104 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2k6b s LYS 105 N -0.49 1.41 -0.05 5.31 -0.14 -1.26 -4.95 119.74 119.57 2k6b s LYS 105 Ca 0.00 -2.04 0.05 0.00 -1.36 0.00 0.00 55.97 52.62 2k6b s LYS 105 Cb 0.00 -2.61 -0.24 0.00 -1.68 0.00 0.00 37.83 33.30 2k6b s LYS 105 CO 0.00 -1.11 0.63 1.79 -0.76 0.00 0.00 175.35 175.90 2k6b h THR 106 N 5.56 0.86 -0.18 2.17 1.35 -2.03 -3.35 112.91 117.28 2k6b h THR 106 Ca -0.04 -2.64 -0.13 0.00 -0.55 0.00 0.00 66.41 63.05 2k6b h THR 106 Cb 0.94 2.51 -0.01 0.00 -1.73 0.00 0.00 68.15 69.85 2k6b h THR 106 CO 0.53 0.67 -0.45 0.74 -0.25 0.00 0.00 175.52 176.76 2k6b h THR 107 N 0.03 1.32 -2.90 6.82 2.02 -2.06 -3.38 112.91 114.76 2k6b h THR 107 Ca -0.31 -1.65 -0.59 0.00 0.77 0.00 0.00 66.41 64.64 2k6b h THR 107 Cb 2.01 1.67 -0.11 0.00 -1.74 0.00 0.00 68.15 69.99 2k6b h THR 107 CO 0.10 0.51 0.76 -0.89 0.37 0.00 0.00 175.52 176.36 2k6b s THR 108 N -4.12 4.15 -2.71 3.16 2.01 -1.26 -4.82 115.64 112.05 2k6b s THR 108 Ca -0.06 0.31 0.23 0.00 0.31 0.00 0.00 61.69 62.48 2k6b s THR 108 Cb 0.12 -4.69 0.14 0.00 0.01 0.00 0.00 72.50 68.07 2k6b s THR 108 CO 0.81 -1.40 1.20 1.33 -0.69 0.00 0.00 174.62 175.87 2k6b n VAL 109 N 6.28 0.00 -2.33 3.82 0.24 -1.26 -4.78 118.33 120.30 2k6b n VAL 109 Ca 0.02 -0.44 -0.35 0.00 -2.04 0.00 0.00 64.34 61.54 2k6b n VAL 109 Cb 0.48 1.43 -0.04 0.00 -1.47 0.00 0.00 33.84 34.24 2k6b n VAL 109 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2k6b s LYS 110 N -2.09 3.13 -0.12 7.34 2.20 -1.26 -4.60 119.74 124.34 2k6b s LYS 110 Ca 0.25 -0.79 0.15 0.00 -0.36 0.00 0.00 55.97 55.23 2k6b s LYS 110 Cb 0.19 -5.23 -0.24 0.00 -1.51 0.00 0.00 37.83 31.04 2k6b s LYS 110 CO 0.36 -2.76 0.36 0.34 -0.36 0.00 0.00 175.35 173.30 2k6b n PHE 111 N 11.19 0.49 -0.85 4.03 -0.00 -1.26 -5.23 117.46 125.84 2k6b n PHE 111 Ca 0.37 0.18 0.00 0.00 -0.00 0.00 0.00 57.45 58.00 2k6b n PHE 111 Cb 0.49 -1.09 0.00 0.00 -0.00 0.00 0.00 39.48 38.88 2k6b n PHE 111 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05