#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 5.84 0.14 1.61 0.01 -1.26 -4.77 113.70 115.26 2k6b s SER 1 Ca 0.00 1.92 -0.22 0.00 1.31 0.00 0.00 55.95 58.97 2k6b s SER 1 Cb 0.00 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.68 2k6b s SER 1 CO 0.00 -1.13 1.66 0.00 0.41 0.00 0.00 173.24 174.19 2k6b h ALA 2 N 0.80 -0.04 -0.67 1.44 0.00 -2.05 0.51 119.26 119.26 2k6b h ALA 2 Ca -0.48 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 2k6b h ALA 2 Cb 1.23 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 2k6b h ALA 2 CO 0.57 -0.59 0.11 -0.44 0.00 0.00 0.00 179.25 178.90 2k6b h ASP 3 N -0.17 1.06 0.19 0.00 3.32 -1.99 -0.96 116.42 117.87 2k6b h ASP 3 Ca 0.11 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 2k6b h ASP 3 Cb 0.34 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2k6b h ASP 3 CO -0.27 1.05 -0.09 -0.08 -1.72 0.00 0.00 179.24 178.13 2k6b h GLU 4 N 1.03 -0.25 -0.51 3.56 4.81 -1.77 -1.40 114.58 120.05 2k6b h GLU 4 Ca 0.20 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.34 2k6b h GLU 4 Cb 0.44 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2k6b h GLU 4 CO 0.01 -0.05 -0.14 1.05 -0.73 0.00 0.00 179.01 179.15 2k6b h GLU 5 N -0.39 0.98 -0.80 1.92 4.11 0.08 -2.55 114.58 117.93 2k6b h GLU 5 Ca -0.03 -0.37 -0.04 0.00 0.07 0.00 0.00 59.36 58.99 2k6b h GLU 5 Cb 0.30 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 2k6b h GLU 5 CO 0.04 1.05 0.34 1.25 0.07 0.00 0.00 179.01 181.76 2k6b h LEU 6 N 0.87 1.07 -0.41 3.06 5.85 -1.04 0.38 115.31 125.09 2k6b h LEU 6 Ca 0.13 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2k6b h LEU 6 Cb 0.69 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2k6b h LEU 6 CO 0.05 0.93 0.18 -0.08 -0.34 0.00 0.00 178.44 179.18 2k6b h GLU 7 N 1.15 0.61 -0.52 1.25 4.81 -1.12 -0.74 114.58 120.01 2k6b h GLU 7 Ca 0.27 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 2k6b h GLU 7 Cb 0.18 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2k6b h GLU 7 CO -0.03 0.55 0.02 0.00 -0.73 0.00 0.00 179.01 178.83 2k6b h ALA 8 N 1.02 0.70 -0.58 2.92 0.00 -0.96 -2.60 119.26 119.76 2k6b h ALA 8 Ca 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2k6b h ALA 8 Cb 0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2k6b h ALA 8 CO -0.01 0.49 0.31 -0.07 0.00 0.00 0.00 179.25 179.97 2k6b h LEU 9 N 0.78 0.73 -0.68 0.00 3.38 -0.06 0.10 115.31 119.57 2k6b h LEU 9 Ca 0.15 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2k6b h LEU 9 Cb 0.49 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 2k6b h LEU 9 CO 0.02 0.63 0.43 -0.09 0.09 0.00 0.00 178.44 179.52 2k6b h ARG 10 N 0.78 0.82 -0.61 1.13 2.43 -0.99 0.39 114.38 118.34 2k6b h ARG 10 Ca 0.20 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 2k6b h ARG 10 Cb 0.06 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 2k6b h ARG 10 CO -0.03 0.54 0.15 0.00 -1.51 0.00 0.00 179.97 179.12 2k6b h ARG 11 N 0.85 0.98 -0.22 0.20 3.08 -1.07 -1.96 114.38 116.24 2k6b h ARG 11 Ca 0.27 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 2k6b h ARG 11 Cb -0.01 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2k6b h ARG 11 CO -0.10 0.89 0.05 0.37 -1.07 0.00 0.00 179.97 180.11 2k6b h GLN 12 N 0.89 0.36 -0.93 0.04 4.15 -0.06 -2.63 115.11 116.93 2k6b h GLN 12 Ca 0.19 -0.09 0.10 0.00 0.77 0.00 0.00 58.65 59.62 2k6b h GLN 12 Cb 0.35 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.93 2k6b h GLN 12 CO 0.00 0.49 0.60 -0.09 -1.93 0.00 0.00 178.83 177.90 2k6b h ARG 13 N 0.17 0.92 -0.23 1.69 9.65 -0.10 0.20 114.38 126.69 2k6b h ARG 13 Ca 0.07 -0.06 -0.06 0.00 -1.10 0.00 0.00 59.98 58.83 2k6b h ARG 13 Cb 0.29 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 2k6b h ARG 13 CO 0.00 0.61 -0.12 1.25 2.80 0.00 0.00 179.97 184.51 2k6b h LEU 14 N 0.95 0.37 0.14 3.80 5.85 -1.05 0.12 115.31 125.49 2k6b h LEU 14 Ca 0.44 -0.09 -0.28 0.00 0.84 0.00 0.00 57.88 58.78 2k6b h LEU 14 Cb 0.39 -0.10 0.03 0.00 0.37 0.00 0.00 40.66 41.36 2k6b h LEU 14 CO -0.19 0.53 -1.20 0.00 -0.34 0.00 0.00 178.44 177.23 2k6b h ALA 15 N 1.52 -0.04 -0.77 1.25 0.00 -0.54 -3.10 119.26 117.57 2k6b h ALA 15 Ca 0.07 -0.77 -0.05 0.00 0.00 0.00 0.00 54.91 54.16 2k6b h ALA 15 Cb 0.44 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2k6b h ALA 15 CO 0.03 0.63 0.27 0.93 0.00 0.00 0.00 179.25 181.10 2k6b h GLU 16 N 0.16 1.17 -0.70 0.00 5.08 -0.45 -1.73 114.58 118.11 2k6b h GLU 16 Ca -0.19 -0.23 0.10 0.00 -1.00 0.00 0.00 59.36 58.04 2k6b h GLU 16 Cb 1.89 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.92 2k6b h GLU 16 CO 0.23 0.97 0.46 1.25 -1.00 0.00 0.00 179.01 180.92 2k6b h LEU 17 N 1.13 0.51 -2.39 1.33 7.12 -0.82 -3.47 115.31 118.72 2k6b h LEU 17 Ca 0.25 0.01 -0.03 0.00 0.13 0.00 0.00 57.88 58.25 2k6b h LEU 17 Cb 0.27 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.30 2k6b h LEU 17 CO -0.01 0.30 -0.43 0.00 -0.13 0.00 0.00 178.44 178.17 2k6b n GLN 18 N -4.49 -2.11 -1.58 1.25 6.02 -0.65 -4.82 117.38 111.01 2k6b n GLN 18 Ca 0.12 1.93 -0.50 0.00 -0.01 0.00 0.00 57.00 58.54 2k6b n GLN 18 Cb 0.35 -5.47 -0.06 0.00 1.02 0.00 0.00 30.24 26.09 2k6b n GLN 18 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k6b n ALA 19 N -0.67 0.96 -2.53 -1.58 0.00 -1.25 -4.94 120.51 110.49 2k6b n ALA 19 Ca 0.07 0.09 -0.32 0.00 0.00 0.00 0.00 53.44 53.29 2k6b n ALA 19 Cb 0.48 -2.54 -0.05 0.00 0.00 0.00 0.00 19.45 17.34 2k6b n ALA 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2k6b s LYS 20 N 5.16 3.72 -1.21 0.00 -2.85 -1.26 -4.91 119.74 118.40 2k6b s LYS 20 Ca 1.01 0.11 -0.21 0.00 -1.00 0.00 0.00 55.97 55.88 2k6b s LYS 20 Cb -0.75 -2.74 -0.05 0.00 -2.06 0.00 0.00 37.83 32.23 2k6b s LYS 20 CO 0.50 0.39 1.88 -2.39 0.10 0.00 0.00 175.35 175.83 2k6b n HIS 21 N -0.03 3.25 0.00 1.78 1.44 -1.26 -2.33 115.22 118.08 2k6b n HIS 21 Ca -0.01 -1.90 0.00 0.00 -2.01 0.00 0.00 57.72 53.80 2k6b n HIS 21 Cb 0.52 -2.58 0.00 0.00 0.12 0.00 0.00 29.99 28.05 2k6b n HIS 21 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2k6b n GLY 22 N 5.58 0.00 3.22 -1.39 0.00 -1.26 -5.05 105.19 106.29 2k6b n GLY 22 Ca 0.46 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.36 2k6b n GLY 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k6b s ASP 23 N 0.00 -0.36 0.46 1.61 -1.08 -0.98 -5.03 116.67 111.28 2k6b s ASP 23 Ca 0.00 0.69 0.16 0.00 -0.52 0.00 0.00 52.55 52.89 2k6b s ASP 23 Cb 0.00 0.68 1.13 0.00 -1.46 0.00 0.00 42.92 43.27 2k6b s ASP 23 CO 0.00 -0.13 2.00 -0.65 0.52 0.00 0.00 175.17 176.91 2k6b h PRO 24 N 5.86 0.28 0.00 4.34 0.11 -1.98 0.14 132.00 140.75 2k6b h PRO 24 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2k6b h PRO 24 Cb 1.18 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2k6b h PRO 24 CO 0.30 0.19 0.00 0.78 -0.21 0.00 0.00 178.00 179.06 2k6b h GLY 25 N 0.29 0.00 0.00 -0.55 0.00 -1.96 -3.09 103.07 97.76 2k6b h GLY 25 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2k6b h GLY 25 CO -0.06 0.00 -0.50 1.34 0.00 0.00 0.00 176.54 177.32 2k6b n ASP 26 N -2.41 1.12 -0.33 0.19 2.03 -0.49 -4.49 116.55 112.16 2k6b n ASP 26 Ca 0.04 0.18 -0.01 0.00 0.52 0.00 0.00 54.79 55.52 2k6b n ASP 26 Cb 0.39 -0.56 0.12 0.00 -0.72 0.00 0.00 41.12 40.34 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 -1.09 1.20 -0.12 -1.67 0.00 -0.92 0.32 119.26 116.97 2k6b h ALA 27 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2k6b h ALA 27 Cb 0.50 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2k6b h ALA 27 CO 0.00 0.45 -0.24 0.00 0.00 0.00 0.00 179.25 179.46 2k6b h ALA 28 N 1.37 0.19 -0.25 0.00 0.00 -1.71 -1.47 119.26 117.40 2k6b h ALA 28 Ca 0.36 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2k6b h ALA 28 Cb -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2k6b h ALA 28 CO -0.12 0.17 -0.43 1.96 0.00 0.00 0.00 179.25 180.83 2k6b h GLN 29 N -0.04 0.61 -0.66 0.00 1.08 -1.63 -2.91 115.11 111.56 2k6b h GLN 29 Ca 0.00 -0.33 -0.08 0.00 -1.45 0.00 0.00 58.65 56.80 2k6b h GLN 29 Cb 0.83 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.25 2k6b h GLN 29 CO 0.05 0.93 0.11 0.37 -0.95 0.00 0.00 178.83 179.33 2k6b h GLN 30 N 0.50 1.08 0.31 1.46 5.75 -0.30 -1.68 115.11 122.24 2k6b h GLN 30 Ca 0.04 -0.28 -0.00 0.00 -0.15 0.00 0.00 58.65 58.25 2k6b h GLN 30 Cb 0.95 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.36 2k6b h GLN 30 CO 0.09 0.99 -0.25 1.49 -2.65 0.00 0.00 178.83 178.49 2k6b h GLU 31 N 1.01 -0.55 -0.82 1.69 4.81 -1.07 0.29 114.58 119.94 2k6b h GLU 31 Ca 0.20 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.51 2k6b h GLU 31 Cb 0.43 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 2k6b h GLU 31 CO 0.01 -0.37 0.52 0.00 -0.73 0.00 0.00 179.01 178.44 2k6b h ALA 32 N 0.04 1.09 -0.05 2.92 0.00 -1.36 0.13 119.26 122.03 2k6b h ALA 32 Ca -0.02 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2k6b h ALA 32 Cb 0.51 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2k6b h ALA 32 CO -0.02 0.31 -0.68 -0.22 0.00 0.00 0.00 179.25 178.65 2k6b h LYS 33 N 0.98 0.22 -0.01 0.00 1.63 -1.07 -2.85 116.57 115.48 2k6b h LYS 33 Ca 0.34 -0.17 -0.16 0.00 -0.85 0.00 0.00 60.65 59.81 2k6b h LYS 33 Cb 0.07 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 2k6b h LYS 33 CO -0.14 0.81 -0.73 1.25 -3.45 0.00 0.00 179.45 177.20 2k6b h HIS 34 N 0.15 0.07 -0.57 1.91 2.76 0.62 -2.73 115.15 117.38 2k6b h HIS 34 Ca -0.02 -0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.08 2k6b h HIS 34 Cb 1.21 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 30.13 2k6b h HIS 34 CO 0.02 0.76 0.20 0.00 -1.30 0.00 0.00 177.93 177.61 2k6b h ARG 35 N 0.03 0.84 -0.11 5.26 3.08 -0.57 0.33 114.38 123.24 2k6b h ARG 35 Ca -0.01 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 2k6b h ARG 35 Cb 1.29 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.19 2k6b h ARG 35 CO 0.10 0.71 0.05 0.93 -1.07 0.00 0.00 179.97 180.69 2k6b h GLU 36 N 0.82 0.15 0.07 0.04 4.39 -1.29 -2.37 114.58 116.40 2k6b h GLU 36 Ca 0.19 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 2k6b h GLU 36 Cb 0.21 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2k6b h GLU 36 CO -0.01 0.22 -0.03 0.00 -1.16 0.00 0.00 179.01 178.03 2k6b h ALA 37 N 0.92 -0.09 -0.28 3.43 0.00 -1.21 -3.27 119.26 118.77 2k6b h ALA 37 Ca 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2k6b h ALA 37 Cb 0.12 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2k6b h ALA 37 CO -0.00 -0.15 0.10 1.49 0.00 0.00 0.00 179.25 180.68 2k6b h GLU 38 N -0.90 0.43 -0.18 0.00 4.81 -0.44 0.65 114.58 118.94 2k6b h GLU 38 Ca -0.01 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.05 2k6b h GLU 38 Cb 0.59 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 2k6b h GLU 38 CO 0.02 0.48 -0.26 1.98 -0.73 0.00 0.00 179.01 180.49 2k6b h MET 39 N 0.29 0.34 -0.05 1.92 4.05 -1.59 0.33 114.93 120.23 2k6b h MET 39 Ca 0.09 -0.12 -0.09 0.00 -0.28 0.00 0.00 59.70 59.30 2k6b h MET 39 Cb 0.22 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 2k6b h MET 39 CO -0.00 0.59 -0.32 -0.09 0.23 0.00 0.00 176.91 177.31 2k6b h ARG 40 N 0.31 0.30 -0.06 0.39 2.43 -1.55 -3.33 114.38 112.86 2k6b h ARG 40 Ca 0.05 -0.26 -0.04 0.00 -0.81 0.00 0.00 59.98 58.92 2k6b h ARG 40 Cb 0.63 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2k6b h ARG 40 CO 0.05 0.92 -0.12 -0.97 -1.51 0.00 0.00 179.97 178.34 2k6b h ASN 41 N -0.24 0.21 -0.03 -3.80 -0.73 -0.59 -3.33 115.58 107.08 2k6b h ASN 41 Ca -0.03 -0.56 0.01 0.00 1.87 0.00 0.00 56.30 57.59 2k6b h ASN 41 Cb 1.00 -0.06 -0.00 0.00 0.27 0.00 0.00 38.32 39.52 2k6b h ASN 41 CO 0.07 0.73 0.02 0.28 -0.37 0.00 0.00 177.43 178.16 2k6b h SER 42 N -0.30 0.00 -0.13 1.15 0.02 -0.50 0.15 113.55 113.95 2k6b h SER 42 Ca 0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.78 2k6b h SER 42 Cb 0.69 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 2k6b h SER 42 CO 0.03 0.00 -0.56 0.16 -1.14 0.00 0.00 176.83 175.32 2k6b h ILE 43 N 0.00 1.30 0.03 3.27 3.07 -1.67 -0.94 117.51 122.56 2k6b h ILE 43 Ca 0.01 -1.78 -0.22 0.00 1.55 0.00 0.00 64.86 64.43 2k6b h ILE 43 Cb 0.06 1.71 -0.02 0.00 -0.27 0.00 0.00 36.82 38.30 2k6b h ILE 43 CO -0.00 0.57 -1.03 -0.07 -1.05 0.00 0.00 178.15 176.56 2k6b h LEU 44 N 0.55 0.09 -1.31 0.16 4.07 -1.40 -3.09 115.31 114.39 2k6b h LEU 44 Ca 0.01 -0.10 -0.03 0.00 0.08 0.00 0.00 57.88 57.84 2k6b h LEU 44 Cb 1.14 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.84 2k6b h LEU 44 CO 0.11 1.06 -0.13 0.00 -1.08 0.00 0.00 178.44 178.40 2k6b h ALA 45 N 0.93 1.03 0.08 1.53 0.00 -0.66 0.31 119.26 122.47 2k6b h ALA 45 Ca -0.04 -0.12 -0.29 0.00 0.00 0.00 0.00 54.91 54.46 2k6b h ALA 45 Cb 1.78 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 2k6b h ALA 45 CO 0.14 0.17 -1.50 1.96 0.00 0.00 0.00 179.25 180.02 2k6b h GLN 46 N 0.00 0.17 0.21 0.00 1.08 -1.19 -3.37 115.11 112.01 2k6b h GLN 46 Ca -0.00 -0.29 -0.29 0.00 -1.45 0.00 0.00 58.65 56.62 2k6b h GLN 46 Cb 0.63 0.11 0.03 0.00 -0.05 0.00 0.00 27.48 28.20 2k6b h GLN 46 CO 0.02 0.99 -1.27 0.28 -0.95 0.00 0.00 178.83 177.89 2k6b h VAL 47 N 0.05 1.34 -3.81 -0.54 2.07 -1.43 -3.35 116.25 110.58 2k6b h VAL 47 Ca -0.22 -2.62 -0.64 0.00 0.82 0.00 0.00 66.70 64.04 2k6b h VAL 47 Cb 1.98 3.04 -0.18 0.00 -1.52 0.00 0.00 31.29 34.60 2k6b h VAL 47 CO 0.14 0.78 -0.55 -0.76 0.02 0.00 0.00 177.57 177.20 2k6b s LEU 48 N -7.72 3.87 0.89 2.57 1.43 0.11 0.79 118.68 120.62 2k6b s LEU 48 Ca -0.10 -0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 52.84 2k6b s LEU 48 Cb 0.03 -2.07 0.13 0.00 0.03 0.00 0.00 46.19 44.32 2k6b s LEU 48 CO 0.92 -0.04 1.11 -0.62 0.23 0.00 0.00 176.35 177.95 2k6b s ASP 49 N 1.68 3.30 0.48 2.29 2.15 0.33 -4.42 116.67 122.47 2k6b s ASP 49 Ca 0.07 1.94 0.27 0.00 0.43 0.00 0.00 52.55 55.25 2k6b s ASP 49 Cb -0.16 -2.48 1.33 0.00 -0.30 0.00 0.00 42.92 41.31 2k6b s ASP 49 CO 0.09 -2.82 1.83 -0.61 -0.17 0.00 0.00 175.17 173.49 2k6b h GLN 50 N -1.67 0.17 -0.19 4.34 4.15 -1.88 0.28 115.11 120.31 2k6b h GLN 50 Ca -0.46 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 58.93 2k6b h GLN 50 Cb 1.26 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.91 2k6b h GLN 50 CO 0.47 0.11 0.03 0.66 -1.93 0.00 0.00 178.83 178.18 2k6b h SER 51 N 0.18 0.29 -0.01 -0.69 4.64 -1.91 0.13 113.55 116.19 2k6b h SER 51 Ca 0.51 -0.25 -0.13 0.00 -0.47 0.00 0.00 61.79 61.45 2k6b h SER 51 Cb 1.70 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.70 2k6b h SER 51 CO -0.12 0.47 -0.41 0.00 -0.87 0.00 0.00 176.83 175.91 2k6b h ALA 52 N 0.83 0.87 -0.53 5.18 0.00 -1.12 0.34 119.26 124.84 2k6b h ALA 52 Ca 0.06 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2k6b h ALA 52 Cb 0.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2k6b h ALA 52 CO 0.00 0.64 0.26 0.00 0.00 0.00 0.00 179.25 180.15 2k6b h ARG 53 N 0.44 0.76 -0.47 0.00 2.47 -0.32 0.34 114.38 117.59 2k6b h ARG 53 Ca 0.04 -0.11 -0.13 0.00 -1.26 0.00 0.00 59.98 58.52 2k6b h ARG 53 Cb 0.90 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.07 2k6b h ARG 53 CO 0.08 0.62 -0.22 0.00 0.56 0.00 0.00 179.97 181.00 2k6b h ALA 54 N 1.10 0.66 -0.55 0.04 0.00 -0.49 -2.50 119.26 117.52 2k6b h ALA 54 Ca 0.18 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2k6b h ALA 54 Cb 0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2k6b h ALA 54 CO -0.02 0.66 0.09 -0.09 0.00 0.00 0.00 179.25 179.89 2k6b h ARG 55 N 0.84 0.87 -0.91 0.00 9.65 -0.60 -2.13 114.38 122.10 2k6b h ARG 55 Ca 0.11 -0.20 0.04 0.00 -1.10 0.00 0.00 59.98 58.83 2k6b h ARG 55 Cb 0.81 -0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 29.21 2k6b h ARG 55 CO 0.07 0.81 0.59 1.25 2.80 0.00 0.00 179.97 185.49 2k6b h LEU 56 N 0.83 0.96 -1.45 3.80 5.85 -0.08 -1.04 115.31 124.18 2k6b h LEU 56 Ca 0.17 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 2k6b h LEU 56 Cb 0.36 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2k6b h LEU 56 CO 0.01 0.65 -0.28 -1.28 -0.34 0.00 0.00 178.44 177.20 2k6b h SER 57 N 1.12 0.00 -0.22 1.25 0.87 -0.95 0.14 113.55 115.76 2k6b h SER 57 Ca 0.37 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.91 2k6b h SER 57 Cb 0.05 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 2k6b h SER 57 CO -0.14 0.28 0.05 0.78 -0.53 0.00 0.00 176.83 177.27 2k6b h ASN 58 N 0.00 0.33 -0.68 6.23 4.21 -0.96 -1.87 115.58 122.84 2k6b h ASN 58 Ca -0.00 -0.23 -0.05 0.00 1.21 0.00 0.00 56.30 57.22 2k6b h ASN 58 Cb 0.53 -0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 37.61 2k6b h ASN 58 CO 0.04 0.48 0.22 -0.07 -1.29 0.00 0.00 177.43 176.80 2k6b h LEU 59 N 0.17 1.00 -2.07 1.61 -0.00 -0.90 -2.18 115.31 112.94 2k6b h LEU 59 Ca 0.07 -0.18 -0.01 0.00 -0.00 0.00 0.00 57.88 57.75 2k6b h LEU 59 Cb 0.27 -0.26 -0.00 0.00 -0.00 0.00 0.00 40.66 40.67 2k6b h LEU 59 CO 0.00 0.93 -0.07 0.00 -0.00 0.00 0.00 178.44 179.31 2k6b h ALA 60 N 1.20 1.18 0.00 1.53 0.00 -0.51 0.42 119.26 123.08 2k6b h ALA 60 Ca 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2k6b h ALA 60 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2k6b h ALA 60 CO -0.01 0.09 -0.93 1.28 0.00 0.00 0.00 179.25 179.67 2k6b n LEU 61 N -3.43 0.65 -0.08 0.00 4.77 -0.72 -4.06 117.00 114.13 2k6b n LEU 61 Ca -0.02 0.12 -0.15 0.00 -0.03 0.00 0.00 56.01 55.93 2k6b n LEU 61 Cb 0.21 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 2k6b n LEU 61 CO 0.27 -0.03 -1.03 0.55 -1.33 0.00 0.00 177.39 175.82 2k6b n VAL 62 N -2.14 0.87 -3.41 4.08 3.14 -0.70 -4.92 118.33 115.25 2k6b n VAL 62 Ca 0.02 -0.25 -0.27 0.00 -2.96 0.00 0.00 64.34 60.88 2k6b n VAL 62 Cb 0.46 -1.54 -0.11 0.00 -1.06 0.00 0.00 33.84 31.60 2k6b n VAL 62 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2k6b s LYS 63 N -2.29 0.71 0.44 1.45 1.02 0.14 -5.00 119.74 116.21 2k6b s LYS 63 Ca -0.22 -1.61 0.30 0.00 0.02 0.00 0.00 55.97 54.47 2k6b s LYS 63 Cb 0.08 -1.27 1.46 0.00 -0.52 0.00 0.00 37.83 37.58 2k6b s LYS 63 CO 0.30 -1.29 1.91 -1.00 -0.92 0.00 0.00 175.35 174.35 2k6b h PRO 64 N 6.40 0.00 -0.25 -1.68 0.13 -1.71 -1.93 132.00 132.96 2k6b h PRO 64 Ca 0.15 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.10 2k6b h PRO 64 Cb 0.95 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 2k6b h PRO 64 CO 0.29 0.00 -0.54 0.93 -0.23 0.00 0.00 178.00 178.45 2k6b h GLU 65 N 0.00 0.75 0.00 0.86 3.07 -1.93 -0.69 114.58 116.64 2k6b h GLU 65 Ca 0.00 -0.47 -0.15 0.00 -0.50 0.00 0.00 59.36 58.24 2k6b h GLU 65 Cb 0.21 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 2k6b h GLU 65 CO 0.00 1.10 -0.72 0.87 -1.40 0.00 0.00 179.01 178.86 2k6b h LYS 66 N 0.58 0.00 -0.38 2.33 1.79 -1.71 -0.74 116.57 118.44 2k6b h LYS 66 Ca 0.01 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 2k6b h LYS 66 Cb 1.12 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.76 2k6b h LYS 66 CO 0.11 0.72 0.11 1.15 -1.08 0.00 0.00 179.45 180.46 2k6b h THR 67 N 0.00 1.22 -0.77 -0.16 2.02 -1.37 -1.66 112.91 112.19 2k6b h THR 67 Ca -0.01 -0.73 -0.05 0.00 0.77 0.00 0.00 66.41 66.40 2k6b h THR 67 Cb 1.28 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 2k6b h THR 67 CO 0.09 0.25 0.30 0.50 0.37 0.00 0.00 175.52 177.04 2k6b h LYS 68 N 0.47 1.15 -0.17 6.66 1.63 -0.52 0.27 116.57 126.06 2k6b h LYS 68 Ca 0.12 -0.21 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 2k6b h LYS 68 Cb 0.28 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 2k6b h LYS 68 CO -0.00 0.94 0.06 0.00 -3.45 0.00 0.00 179.45 177.00 2k6b h ALA 69 N 1.20 0.23 -0.27 5.00 0.00 -1.01 -0.95 119.26 123.45 2k6b h ALA 69 Ca 0.26 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 2k6b h ALA 69 Cb 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2k6b h ALA 69 CO -0.02 -0.17 -0.36 -0.39 0.00 0.00 0.00 179.25 178.31 2k6b h VAL 70 N 0.12 1.29 -0.21 0.00 -1.51 -0.89 -1.65 116.25 113.40 2k6b h VAL 70 Ca 0.06 -1.50 0.05 0.00 -1.23 0.00 0.00 66.70 64.07 2k6b h VAL 70 Cb 0.20 1.47 -0.05 0.00 -2.13 0.00 0.00 31.29 30.77 2k6b h VAL 70 CO -0.00 0.48 -0.12 -0.33 -1.23 0.00 0.00 177.57 176.37 2k6b h GLU 71 N 0.51 -0.10 -0.45 5.19 5.08 -0.24 0.24 114.58 124.80 2k6b h GLU 71 Ca 0.05 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 2k6b h GLU 71 Cb 0.86 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 2k6b h GLU 71 CO 0.07 -0.07 0.19 -0.97 -1.00 0.00 0.00 179.01 177.24 2k6b h ASN 72 N -0.11 0.25 -0.10 1.42 -0.73 -1.02 -0.82 115.58 114.47 2k6b h ASN 72 Ca 0.12 0.04 -0.00 0.00 1.87 0.00 0.00 56.30 58.32 2k6b h ASN 72 Cb 0.28 -0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.87 2k6b h ASN 72 CO -0.28 0.18 0.05 0.22 -0.37 0.00 0.00 177.43 177.23 2k6b h TYR 73 N 0.39 0.14 -0.58 0.67 3.20 -0.46 -2.20 116.97 118.13 2k6b h TYR 73 Ca 0.20 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 2k6b h TYR 73 Cb 0.15 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 2k6b h TYR 73 CO -0.13 0.20 0.17 -0.07 -1.64 0.00 0.00 178.16 176.70 2k6b h LEU 74 N 0.04 0.81 -0.56 2.82 -0.00 -0.25 0.17 115.31 118.34 2k6b h LEU 74 Ca 0.03 -0.13 0.02 0.00 -0.00 0.00 0.00 57.88 57.80 2k6b h LEU 74 Cb 0.11 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 40.53 2k6b h LEU 74 CO -0.00 0.77 0.35 0.40 -0.00 0.00 0.00 178.44 179.95 2k6b h ILE 75 N 0.85 1.09 -0.30 1.22 2.04 -0.93 0.19 117.51 121.66 2k6b h ILE 75 Ca 0.19 -0.24 -0.09 0.00 1.00 0.00 0.00 64.86 65.72 2k6b h ILE 75 Cb 0.25 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2k6b h ILE 75 CO -0.01 0.13 -0.16 1.56 0.00 0.00 0.00 178.15 179.67 2k6b h GLN 76 N 0.70 0.63 -0.44 2.37 1.08 -0.96 -2.74 115.11 115.74 2k6b h GLN 76 Ca 0.22 -0.28 0.03 0.00 -1.45 0.00 0.00 58.65 57.16 2k6b h GLN 76 Cb -0.01 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 2k6b h GLN 76 CO -0.08 0.86 0.24 1.98 -0.95 0.00 0.00 178.83 180.89 2k6b h MET 77 N 0.38 0.47 -0.52 1.46 4.05 -0.29 -1.46 114.93 119.03 2k6b h MET 77 Ca 0.07 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.36 2k6b h MET 77 Cb 0.68 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 2k6b h MET 77 CO 0.05 0.31 -0.05 0.00 0.23 0.00 0.00 176.91 177.45 2k6b h ALA 78 N 1.21 0.92 -0.45 0.39 0.00 -0.66 -2.66 119.26 118.02 2k6b h ALA 78 Ca 0.18 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2k6b h ALA 78 Cb 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2k6b h ALA 78 CO -0.10 0.64 -0.18 -0.09 0.00 0.00 0.00 179.25 179.51 2k6b h ARG 79 N 0.85 0.87 0.00 0.00 2.43 -1.06 -2.81 114.38 114.65 2k6b h ARG 79 Ca 0.15 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2k6b h ARG 79 Cb 0.57 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2k6b h ARG 79 CO 0.03 0.98 0.00 1.88 -1.51 0.00 0.00 179.97 181.35 2k6b h TYR 80 N 0.76 0.00 -1.89 2.20 0.05 -1.21 -3.47 116.97 113.41 2k6b h TYR 80 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 2k6b h TYR 80 Cb 0.71 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.45 2k6b h TYR 80 CO 0.04 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.56 2k6b n GLY 81 N 0.69 0.90 0.93 3.88 0.00 -1.06 -4.99 105.19 105.54 2k6b n GLY 81 Ca 0.04 -0.47 0.07 0.00 0.00 0.00 0.00 46.02 45.65 2k6b n GLY 81 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k6b n GLN 82 N -0.95 2.77 -2.58 1.61 1.13 -1.01 -4.89 117.38 113.46 2k6b n GLN 82 Ca 0.00 -2.88 -0.41 0.00 -1.94 0.00 0.00 57.00 51.77 2k6b n GLN 82 Cb 0.32 -1.84 -0.03 0.00 0.11 0.00 0.00 30.24 28.79 2k6b n GLN 82 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2k6b s LEU 83 N -2.89 3.38 -0.07 1.08 2.01 -1.26 -4.78 118.68 116.16 2k6b s LEU 83 Ca 0.43 -0.81 -0.15 0.00 0.01 0.00 0.00 54.13 53.61 2k6b s LEU 83 Cb 0.35 -2.55 -0.10 0.00 0.01 0.00 0.00 46.19 43.90 2k6b s LEU 83 CO 0.08 -1.70 0.57 0.28 1.01 0.00 0.00 176.35 176.58 2k6b h SER 84 N 9.90 -0.20 -0.43 2.29 0.02 -1.97 -3.50 113.55 119.67 2k6b h SER 84 Ca -0.13 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2k6b h SER 84 Cb 1.04 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2k6b h SER 84 CO 1.31 0.34 0.00 1.21 -1.14 0.00 0.00 176.83 178.56 2k6b n GLU 85 N -4.92 0.00 -2.33 3.45 0.00 -1.26 -5.12 120.64 110.46 2k6b n GLU 85 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.68 2k6b n GLU 85 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.62 2k6b n GLU 85 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2k6b s LYS 86 N -1.57 4.25 0.11 5.31 1.02 -1.26 -4.77 119.74 122.83 2k6b s LYS 86 Ca 0.00 1.80 -0.25 0.00 0.02 0.00 0.00 55.97 57.53 2k6b s LYS 86 Cb 0.00 -3.73 -0.07 0.00 -0.52 0.00 0.00 37.83 33.51 2k6b s LYS 86 CO 0.00 -0.66 0.78 0.08 -0.92 0.00 0.00 175.35 174.62 2k6b s VAL 87 N 3.18 4.53 0.05 3.17 1.01 0.24 -4.70 120.40 127.87 2k6b s VAL 87 Ca 0.59 1.68 -0.00 0.00 0.00 0.00 0.00 61.98 64.25 2k6b s VAL 87 Cb -0.26 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.00 2k6b s VAL 87 CO 0.20 0.45 0.07 -1.20 0.00 0.00 0.00 175.10 174.62 2k6b n SER 88 N 2.15 0.05 -0.09 3.32 7.64 -1.26 -0.51 113.62 124.92 2k6b n SER 88 Ca -0.04 -1.05 -0.07 0.00 1.01 0.00 0.00 58.87 58.72 2k6b n SER 88 Cb 0.49 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 2k6b n SER 88 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2k6b h GLU 89 N 0.00 0.22 -0.91 1.43 5.08 -1.91 -2.76 114.58 115.73 2k6b h GLU 89 Ca -0.02 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.38 2k6b h GLU 89 Cb 0.07 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 2k6b h GLU 89 CO 0.02 0.14 0.57 0.37 -1.00 0.00 0.00 179.01 179.12 2k6b h GLN 90 N 0.22 1.02 -0.64 2.33 5.75 -1.98 0.11 115.11 121.93 2k6b h GLN 90 Ca 0.14 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.53 2k6b h GLN 90 Cb 0.13 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.42 2k6b h GLN 90 CO -0.16 0.67 0.17 0.78 -2.65 0.00 0.00 178.83 177.65 2k6b h GLY 91 N 1.05 1.06 1.50 2.39 0.00 -1.86 -0.89 103.07 106.32 2k6b h GLY 91 Ca 0.39 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 2k6b h GLY 91 CO -0.17 0.58 -0.30 -2.00 0.00 0.00 0.00 176.54 174.66 2k6b h LEU 92 N 0.95 0.59 -0.71 3.11 5.85 -0.87 -1.67 115.31 122.56 2k6b h LEU 92 Ca 0.21 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 2k6b h LEU 92 Cb 0.31 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2k6b h LEU 92 CO -0.00 0.86 0.33 0.40 -0.34 0.00 0.00 178.44 179.68 2k6b h ILE 93 N 0.50 1.24 -0.45 4.05 1.08 -0.15 0.34 117.51 124.12 2k6b h ILE 93 Ca 0.06 -0.69 -0.07 0.00 -0.39 0.00 0.00 64.86 63.78 2k6b h ILE 93 Cb 0.76 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 2k6b h ILE 93 CO 0.06 0.28 0.00 -0.33 -0.69 0.00 0.00 178.15 177.48 2k6b h GLU 94 N 1.00 0.73 -0.28 2.37 5.08 -0.91 0.11 114.58 122.68 2k6b h GLU 94 Ca 0.24 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 2k6b h GLU 94 Cb 0.14 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2k6b h GLU 94 CO -0.03 0.74 -0.34 0.82 -1.00 0.00 0.00 179.01 179.20 2k6b h ILE 95 N 0.68 1.29 -0.77 3.13 2.04 -0.46 -2.32 117.51 121.10 2k6b h ILE 95 Ca 0.14 -1.47 -0.03 0.00 1.00 0.00 0.00 64.86 64.50 2k6b h ILE 95 Cb 0.42 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 2k6b h ILE 95 CO 0.02 0.47 0.37 0.25 0.00 0.00 0.00 178.15 179.26 2k6b h LEU 96 N 0.51 0.99 -0.27 1.44 5.85 0.36 -1.91 115.31 122.28 2k6b h LEU 96 Ca 0.06 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.68 2k6b h LEU 96 Cb 0.83 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 2k6b h LEU 96 CO 0.07 0.83 0.13 0.11 -0.34 0.00 0.00 178.44 179.24 2k6b h LYS 97 N 1.09 0.27 -0.20 1.25 1.57 -0.41 -1.21 116.57 118.93 2k6b h LYS 97 Ca 0.26 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.08 2k6b h LYS 97 Cb 0.10 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.30 2k6b h LYS 97 CO -0.03 0.18 -0.17 0.87 -0.57 0.00 0.00 179.45 179.72 2k6b h LYS 98 N 0.27 -0.18 0.00 3.15 1.57 -0.87 0.38 116.57 120.89 2k6b h LYS 98 Ca 0.11 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2k6b h LYS 98 Cb 0.04 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 2k6b h LYS 98 CO -0.08 -0.12 -0.16 -0.39 -0.57 0.00 0.00 179.45 178.13 2k6b h VAL 99 N -0.19 0.33 -0.01 0.50 -1.51 -1.23 0.24 116.25 114.38 2k6b h VAL 99 Ca 0.12 -1.11 -0.17 0.00 -1.23 0.00 0.00 66.70 64.32 2k6b h VAL 99 Cb 0.37 1.86 -0.02 0.00 -2.13 0.00 0.00 31.29 31.37 2k6b h VAL 99 CO -0.31 0.15 -0.75 0.28 -1.23 0.00 0.00 177.57 175.72 2k6b h SER 100 N 0.00 0.14 0.14 4.19 0.02 -0.60 -3.34 113.55 114.10 2k6b h SER 100 Ca -0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 2k6b h SER 100 Cb 0.84 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.34 2k6b h SER 100 CO 0.02 0.84 -0.07 -0.61 -1.14 0.00 0.00 176.83 175.87 2k6b h GLN 101 N 0.07 -0.18 0.00 3.45 4.15 -0.12 -3.49 115.11 119.00 2k6b h GLN 101 Ca -0.02 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2k6b h GLN 101 Cb 1.32 0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.05 2k6b h GLN 101 CO 0.11 -0.12 0.00 1.04 -1.93 0.00 0.00 178.83 177.93 2k6b n GLN 102 N -3.31 0.00 0.03 1.69 6.02 0.74 -5.06 117.38 117.49 2k6b n GLN 102 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2k6b n GLN 102 Cb 0.07 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.33 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 -2.18 0.00 0.00 5.09 -1.04 -0.52 -4.50 114.28 111.13 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 -1.84 -0.64 0.00 0.00 175.07 172.59 2k6b n GLU 104 N -2.80 0.00 -3.56 -2.82 0.28 -1.26 -4.09 120.64 106.39 2k6b n GLU 104 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.59 2k6b n GLU 104 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 2k6b n GLU 104 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2k6b s LYS 105 N -2.16 2.82 -0.65 3.44 2.20 -1.26 -5.01 119.74 119.12 2k6b s LYS 105 Ca 0.00 -2.27 -0.27 0.00 -0.36 0.00 0.00 55.97 53.06 2k6b s LYS 105 Cb 0.00 -3.98 -0.12 0.00 -1.51 0.00 0.00 37.83 32.22 2k6b s LYS 105 CO 0.00 -1.21 2.50 2.41 -0.36 0.00 0.00 175.35 178.69 2k6b n THR 106 N 4.06 -0.06 -3.74 3.43 -1.04 -1.26 -4.87 114.28 110.80 2k6b n THR 106 Ca 0.05 -0.56 -0.30 0.00 -2.04 0.00 0.00 64.05 61.20 2k6b n THR 106 Cb 0.41 -2.09 -0.14 0.00 -1.82 0.00 0.00 70.33 66.69 2k6b n THR 106 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2k6b s THR 107 N 11.27 1.13 -0.69 12.58 2.01 -1.26 -4.88 115.64 135.80 2k6b s THR 107 Ca 1.09 -1.88 -0.00 0.00 0.31 0.00 0.00 61.69 61.22 2k6b s THR 107 Cb -0.50 -1.83 0.00 0.00 0.01 0.00 0.00 72.50 70.18 2k6b s THR 107 CO 0.33 -0.76 0.65 0.41 -0.69 0.00 0.00 174.62 174.56 2k6b n THR 108 N 4.33 -9.59 0.00 -0.82 -1.04 -1.26 -4.98 114.28 100.91 2k6b n THR 108 Ca 0.03 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 2k6b n THR 108 Cb 0.39 -6.71 0.00 0.00 -1.82 0.00 0.00 70.33 62.19 2k6b n THR 108 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2k6b n VAL 109 N -1.72 0.00 -3.11 12.58 0.31 -1.26 -4.97 118.33 120.17 2k6b n VAL 109 Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.88 2k6b n VAL 109 Cb 0.50 -0.50 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 2k6b n VAL 109 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2k6b s LYS 110 N -1.74 3.17 0.03 5.55 2.36 -1.26 -4.84 119.74 123.01 2k6b s LYS 110 Ca 0.00 -1.48 0.19 0.00 -2.55 0.00 0.00 55.97 52.12 2k6b s LYS 110 Cb 0.00 -4.36 -0.16 0.00 -1.05 0.00 0.00 37.83 32.26 2k6b s LYS 110 CO 0.00 -1.55 0.70 1.19 1.55 0.00 0.00 175.35 177.24 2k6b n PHE 111 N 6.14 0.69 0.30 4.03 3.72 -1.26 -5.19 117.46 125.88 2k6b n PHE 111 Ca -0.03 0.22 0.02 0.00 -0.05 0.00 0.00 57.45 57.62 2k6b n PHE 111 Cb 0.44 -0.96 0.14 0.00 -0.94 0.00 0.00 39.48 38.16 2k6b n PHE 111 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00