#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6b h SER 1 N 0.00 0.00 -0.60 1.61 0.02 -2.05 -1.21 113.55 111.31 2k6b h SER 1 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 2k6b h SER 1 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2k6b h SER 1 CO 0.00 0.00 -0.01 0.00 -1.14 0.00 0.00 176.83 175.68 2k6b h ALA 2 N 1.88 0.83 0.00 3.77 0.00 -2.05 -0.13 119.26 123.57 2k6b h ALA 2 Ca 0.11 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 2k6b h ALA 2 Cb 0.45 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2k6b h ALA 2 CO -0.00 0.67 -0.60 0.22 0.00 0.00 0.00 179.25 179.54 2k6b h ASP 3 N 0.98 0.00 -0.11 0.00 3.58 -1.68 -1.62 116.42 117.56 2k6b h ASP 3 Ca 0.17 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 2k6b h ASP 3 Cb 0.57 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.62 2k6b h ASP 3 CO 0.03 0.60 0.02 -0.08 -2.88 0.00 0.00 179.24 176.93 2k6b h GLU 4 N 0.00 0.19 -0.91 0.28 4.81 -0.83 0.11 114.58 118.23 2k6b h GLU 4 Ca -0.01 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2k6b h GLU 4 Cb 1.13 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.44 2k6b h GLU 4 CO 0.08 0.38 0.60 0.93 -0.73 0.00 0.00 179.01 180.27 2k6b h GLU 5 N -0.03 1.18 -0.41 1.92 5.08 -0.90 -0.28 114.58 121.13 2k6b h GLU 5 Ca 0.04 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2k6b h GLU 5 Cb 0.28 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2k6b h GLU 5 CO 0.00 0.78 0.19 1.25 -1.00 0.00 0.00 179.01 180.23 2k6b h LEU 6 N 1.21 0.54 -0.77 1.33 7.12 -0.96 -0.54 115.31 123.24 2k6b h LEU 6 Ca 0.34 -0.14 -0.12 0.00 0.13 0.00 0.00 57.88 58.09 2k6b h LEU 6 Cb -0.11 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 39.86 2k6b h LEU 6 CO -0.08 0.53 -0.32 1.05 -0.13 0.00 0.00 178.44 179.49 2k6b h GLU 7 N 0.52 0.56 -0.02 1.25 4.11 -0.16 -0.10 114.58 120.75 2k6b h GLU 7 Ca 0.14 -0.25 0.00 0.00 0.07 0.00 0.00 59.36 59.32 2k6b h GLU 7 Cb 0.14 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2k6b h GLU 7 CO -0.02 0.81 0.00 0.00 0.07 0.00 0.00 179.01 179.88 2k6b h ALA 8 N 1.17 0.02 -0.29 1.06 0.00 -0.63 0.56 119.26 121.15 2k6b h ALA 8 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2k6b h ALA 8 Cb 0.79 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2k6b h ALA 8 CO 0.06 -0.49 0.07 -0.07 0.00 0.00 0.00 179.25 178.83 2k6b h LEU 9 N 0.01 0.05 -0.14 0.00 3.38 -0.93 0.26 115.31 117.95 2k6b h LEU 9 Ca 0.01 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2k6b h LEU 9 Cb 0.00 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2k6b h LEU 9 CO -0.01 0.06 -0.02 -0.09 0.09 0.00 0.00 178.44 178.48 2k6b h ARG 10 N 0.19 0.02 -0.46 1.13 2.43 -0.49 0.82 114.38 118.01 2k6b h ARG 10 Ca 0.13 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2k6b h ARG 10 Cb 0.12 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2k6b h ARG 10 CO -0.16 0.02 0.12 0.00 -1.51 0.00 0.00 179.97 178.44 2k6b h ARG 11 N 0.03 0.74 -0.28 0.20 3.08 0.34 0.84 114.38 119.32 2k6b h ARG 11 Ca 0.07 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 2k6b h ARG 11 Cb 0.09 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2k6b h ARG 11 CO -0.12 0.72 -0.03 0.37 -1.07 0.00 0.00 179.97 179.84 2k6b h GLN 12 N 0.62 0.52 -0.87 0.04 4.15 -0.79 -2.17 115.11 116.61 2k6b h GLN 12 Ca 0.15 -0.18 0.02 0.00 0.77 0.00 0.00 58.65 59.40 2k6b h GLN 12 Cb 0.31 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.92 2k6b h GLN 12 CO 0.00 0.70 0.57 -0.09 -1.93 0.00 0.00 178.83 178.08 2k6b h ARG 13 N 0.30 1.11 -0.92 1.69 9.65 -0.67 0.20 114.38 125.73 2k6b h ARG 13 Ca 0.08 -0.07 0.05 0.00 -1.10 0.00 0.00 59.98 58.94 2k6b h ARG 13 Cb 0.49 -0.25 -0.06 0.00 -1.39 0.00 0.00 29.97 28.76 2k6b h ARG 13 CO 0.02 0.73 0.59 1.25 2.80 0.00 0.00 179.97 185.37 2k6b h LEU 14 N 1.14 0.97 -0.13 3.80 5.85 -0.67 0.14 115.31 126.41 2k6b h LEU 14 Ca 0.33 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.82 2k6b h LEU 14 Cb -0.07 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 40.77 2k6b h LEU 14 CO -0.09 0.65 -0.88 0.00 -0.34 0.00 0.00 178.44 177.77 2k6b h ALA 15 N 1.40 0.28 -0.45 1.25 0.00 -0.59 0.78 119.26 121.94 2k6b h ALA 15 Ca 0.38 -0.65 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 2k6b h ALA 15 Cb 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2k6b h ALA 15 CO -0.14 0.71 -0.16 0.93 0.00 0.00 0.00 179.25 180.58 2k6b h GLU 16 N 0.44 0.90 0.00 0.00 5.08 -0.04 -1.79 114.58 119.17 2k6b h GLU 16 Ca -0.08 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 57.84 2k6b h GLU 16 Cb 1.52 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 2k6b h GLU 16 CO 0.17 1.02 -0.31 1.25 -1.00 0.00 0.00 179.01 180.14 2k6b h LEU 17 N 0.73 0.00 -2.55 1.33 7.12 -0.82 -3.48 115.31 117.65 2k6b h LEU 17 Ca 0.11 0.00 -0.16 0.00 0.13 0.00 0.00 57.88 57.96 2k6b h LEU 17 Cb 0.72 0.00 0.13 0.00 -0.53 0.00 0.00 40.66 40.98 2k6b h LEU 17 CO 0.06 0.31 -0.55 1.67 -0.13 0.00 0.00 178.44 179.80 2k6b n GLN 18 N -3.49 -1.65 -3.51 1.25 7.27 -0.38 -5.02 117.38 111.85 2k6b n GLN 18 Ca -0.00 0.82 -0.38 0.00 0.07 0.00 0.00 57.00 57.51 2k6b n GLN 18 Cb 0.47 -4.96 -0.06 0.00 2.41 0.00 0.00 30.24 28.10 2k6b n GLN 18 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2k6b s ALA 19 N -3.25 3.66 0.02 1.69 0.00 0.13 -5.01 121.76 118.99 2k6b s ALA 19 Ca 0.29 -0.29 -0.16 0.00 0.00 0.00 0.00 51.96 51.80 2k6b s ALA 19 Cb -0.04 -2.40 -0.09 0.00 0.00 0.00 0.00 23.12 20.60 2k6b s ALA 19 CO 0.59 0.34 1.07 -0.22 0.00 0.00 0.00 175.76 177.54 2k6b h LYS 20 N 5.43 -0.54 -4.55 0.00 3.64 -1.95 -3.44 116.57 115.15 2k6b h LYS 20 Ca -0.48 0.04 -0.33 0.00 -1.27 0.00 0.00 60.65 58.61 2k6b h LYS 20 Cb 1.20 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 33.12 2k6b h LYS 20 CO 0.66 -0.36 -0.47 1.58 -2.27 0.00 0.00 179.45 178.59 2k6b n HIS 21 N -3.75 -1.64 -2.60 1.91 -0.00 -1.26 -4.84 115.22 103.04 2k6b n HIS 21 Ca -0.07 0.27 -0.42 0.00 -0.00 0.00 0.00 57.72 57.50 2k6b n HIS 21 Cb 0.22 -3.16 0.01 0.00 -0.00 0.00 0.00 29.99 27.06 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 -1.07 5.38 3.07 1.57 0.00 -1.26 -4.80 105.19 108.07 2k6b n GLY 22 Ca -0.09 -2.43 -0.35 0.00 0.00 0.00 0.00 46.02 43.15 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 -0.81 5.03 0.54 1.61 -4.77 -1.26 -4.94 116.67 112.07 2k6b s ASP 23 Ca 0.39 -2.67 0.35 0.00 -3.30 0.00 0.00 52.55 47.32 2k6b s ASP 23 Cb 0.12 -1.79 1.57 0.00 -1.09 0.00 0.00 42.92 41.72 2k6b s ASP 23 CO -0.01 -0.38 2.04 -0.65 0.70 0.00 0.00 175.17 176.87 2k6b h PRO 24 N 7.18 0.00 -1.34 2.11 0.11 -1.93 -3.47 132.00 134.65 2k6b h PRO 24 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2k6b h PRO 24 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2k6b h PRO 24 CO 0.69 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.89 2k6b n GLY 25 N -0.26 0.59 5.02 -0.55 0.00 -1.26 -4.08 105.19 104.65 2k6b n GLY 25 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.67 0.00 -0.33 1.61 2.03 -1.26 -3.86 116.55 114.07 2k6b n ASP 26 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2k6b n ASP 26 Cb 0.29 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 40.87 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 -0.11 1.38 0.00 -1.67 0.00 -2.00 -1.15 119.26 115.71 2k6b h ALA 27 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2k6b h ALA 27 Cb 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2k6b h ALA 27 CO 0.00 0.54 -0.52 0.00 0.00 0.00 0.00 179.25 179.27 2k6b h ALA 28 N 1.44 0.73 0.00 0.00 0.00 -1.71 -2.65 119.26 117.07 2k6b h ALA 28 Ca 0.36 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 2k6b h ALA 28 Cb -0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2k6b h ALA 28 CO -0.10 0.65 -0.60 -0.56 0.00 0.00 0.00 179.25 178.64 2k6b h GLN 29 N 0.00 0.00 -0.18 0.00 3.07 -1.53 -1.72 115.11 114.76 2k6b h GLN 29 Ca -0.01 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.53 2k6b h GLN 29 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.85 2k6b h GLN 29 CO 0.07 0.49 -0.71 0.37 0.09 0.00 0.00 178.83 179.14 2k6b h GLN 30 N 0.00 0.74 0.00 0.06 5.75 -1.18 -2.82 115.11 117.66 2k6b h GLN 30 Ca -0.02 -0.56 -0.09 0.00 -0.15 0.00 0.00 58.65 57.83 2k6b h GLN 30 Cb 1.41 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 30.05 2k6b h GLN 30 CO 0.06 1.18 -0.43 1.05 -2.65 0.00 0.00 178.83 178.05 2k6b h GLU 31 N 0.53 0.00 -0.42 1.69 4.11 -1.42 -2.36 114.58 116.70 2k6b h GLU 31 Ca -0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 2k6b h GLU 31 Cb 1.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 2k6b h GLU 31 CO 0.14 0.43 0.26 0.00 0.07 0.00 0.00 179.01 179.91 2k6b h ALA 32 N 1.57 1.66 0.00 1.06 0.00 -1.14 0.49 119.26 122.91 2k6b h ALA 32 Ca -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2k6b h ALA 32 Cb 0.98 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2k6b h ALA 32 CO 0.06 0.30 -0.15 -0.22 0.00 0.00 0.00 179.25 179.24 2k6b h LYS 33 N 0.58 0.00 0.20 0.00 1.63 -1.19 0.37 116.57 118.16 2k6b h LYS 33 Ca 0.15 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.63 2k6b h LYS 33 Cb -0.03 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 31.62 2k6b h LYS 33 CO -0.03 0.15 -1.48 1.25 -3.45 0.00 0.00 179.45 175.88 2k6b h HIS 34 N 0.00 0.76 0.00 1.91 2.76 -0.52 -3.18 115.15 116.88 2k6b h HIS 34 Ca -0.00 -0.55 -0.03 0.00 -2.20 0.00 0.00 60.37 57.59 2k6b h HIS 34 Cb 0.84 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.77 2k6b h HIS 34 CO 0.00 1.49 -0.13 0.00 -1.30 0.00 0.00 177.93 178.00 2k6b h ARG 35 N 0.11 0.00 -0.09 5.26 -0.00 0.10 -0.41 114.38 119.34 2k6b h ARG 35 Ca -0.24 0.00 0.04 0.00 -0.50 0.00 0.00 59.98 59.28 2k6b h ARG 35 Cb 2.10 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 32.01 2k6b h ARG 35 CO 0.23 0.13 -0.28 1.49 0.00 0.00 0.00 179.97 181.54 2k6b h GLU 36 N 0.00 -0.36 0.00 0.04 4.22 -0.90 0.41 114.58 117.99 2k6b h GLU 36 Ca -0.00 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.46 2k6b h GLU 36 Cb 0.27 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2k6b h GLU 36 CO 0.02 -0.24 -0.06 0.00 -2.18 0.00 0.00 179.01 176.55 2k6b h ALA 37 N 0.48 0.01 -0.08 2.92 0.00 -1.61 -3.33 119.26 117.65 2k6b h ALA 37 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k6b h ALA 37 Cb 0.51 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2k6b h ALA 37 CO -0.31 0.05 0.05 1.49 0.00 0.00 0.00 179.25 180.53 2k6b h GLU 38 N -1.00 0.10 -0.17 0.00 4.81 -1.09 -1.81 114.58 115.42 2k6b h GLU 38 Ca -0.01 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 2k6b h GLU 38 Cb 0.31 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 2k6b h GLU 38 CO -0.00 0.07 -0.22 0.52 -0.73 0.00 0.00 179.01 178.65 2k6b h MET 39 N 0.11 0.45 0.25 1.92 2.86 -1.10 -2.70 114.93 116.71 2k6b h MET 39 Ca 0.03 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 2k6b h MET 39 Cb -0.01 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2k6b h MET 39 CO -0.01 0.84 -0.17 0.00 1.06 0.00 0.00 176.91 178.63 2k6b h ARG 40 N 0.09 -0.40 -0.64 1.72 3.08 -1.48 0.21 114.38 116.95 2k6b h ARG 40 Ca 0.02 0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.11 2k6b h ARG 40 Cb 0.77 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.88 2k6b h ARG 40 CO 0.05 -0.27 0.42 -0.97 -1.07 0.00 0.00 179.97 178.13 2k6b h ASN 41 N -0.42 0.71 0.01 7.04 -0.73 -1.41 0.60 115.58 121.39 2k6b h ASN 41 Ca -0.02 -0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.14 2k6b h ASN 41 Cb 0.36 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.78 2k6b h ASN 41 CO 0.01 0.51 -0.01 0.28 -0.37 0.00 0.00 177.43 177.85 2k6b h SER 42 N 0.85 -0.01 0.04 1.15 0.02 -1.19 -2.38 113.55 112.01 2k6b h SER 42 Ca 0.24 -0.31 -0.23 0.00 -0.84 0.00 0.00 61.79 60.65 2k6b h SER 42 Cb -0.06 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.49 2k6b h SER 42 CO -0.07 0.30 -0.88 0.16 -1.14 0.00 0.00 176.83 175.21 2k6b h ILE 43 N -0.33 1.31 -0.55 3.27 3.07 -0.36 -2.97 117.51 120.96 2k6b h ILE 43 Ca -0.00 -2.16 -0.11 0.00 1.55 0.00 0.00 64.86 64.14 2k6b h ILE 43 Cb 0.32 2.19 -0.02 0.00 -0.27 0.00 0.00 36.82 39.05 2k6b h ILE 43 CO 0.00 0.67 -0.09 -0.07 -1.05 0.00 0.00 178.15 177.61 2k6b h LEU 44 N 0.41 1.02 -1.82 0.16 3.38 -0.96 0.20 115.31 117.70 2k6b h LEU 44 Ca -0.08 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2k6b h LEU 44 Cb 1.51 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2k6b h LEU 44 CO 0.17 1.13 0.00 0.00 0.09 0.00 0.00 178.44 179.82 2k6b h ALA 45 N 0.93 1.00 0.03 1.53 0.00 -1.45 0.59 119.26 121.90 2k6b h ALA 45 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.72 2k6b h ALA 45 Cb 0.65 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 2k6b h ALA 45 CO 0.05 0.00 -1.86 1.04 0.00 0.00 0.00 179.25 178.48 2k6b n GLN 46 N -2.90 0.63 -0.05 0.00 1.13 -0.63 -4.51 117.38 111.05 2k6b n GLN 46 Ca -0.00 0.38 -0.15 0.00 -1.94 0.00 0.00 57.00 55.29 2k6b n GLN 46 Cb 0.20 -1.66 -0.07 0.00 0.11 0.00 0.00 30.24 28.82 2k6b n GLN 46 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2k6b h VAL 47 N -0.62 1.33 -3.28 5.09 2.07 -0.61 -3.43 116.25 116.81 2k6b h VAL 47 Ca -0.47 -1.68 -0.58 0.00 0.82 0.00 0.00 66.70 64.79 2k6b h VAL 47 Cb 1.62 1.94 -0.08 0.00 -1.52 0.00 0.00 31.29 33.25 2k6b h VAL 47 CO -0.17 0.52 -0.17 -0.76 0.02 0.00 0.00 177.57 177.01 2k6b s LEU 48 N -8.74 4.30 0.72 2.57 1.43 0.19 -0.04 118.68 119.11 2k6b s LEU 48 Ca -0.12 0.80 -0.16 0.00 -1.03 0.00 0.00 54.13 53.62 2k6b s LEU 48 Cb 0.07 -2.64 0.02 0.00 0.03 0.00 0.00 46.19 43.67 2k6b s LEU 48 CO 0.83 0.06 1.16 -0.67 0.23 0.00 0.00 176.35 177.96 2k6b n ASP 49 N 3.37 1.25 -0.08 2.29 2.03 -0.19 -4.55 116.55 120.67 2k6b n ASP 49 Ca -0.09 0.71 0.20 0.00 0.52 0.00 0.00 54.79 56.13 2k6b n ASP 49 Cb 0.52 -1.49 0.64 0.00 -0.72 0.00 0.00 41.12 40.06 2k6b n ASP 49 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2k6b h GLN 50 N -0.13 0.13 -0.02 -0.67 4.15 -1.89 0.12 115.11 116.80 2k6b h GLN 50 Ca -0.48 -0.01 -0.20 0.00 0.77 0.00 0.00 58.65 58.72 2k6b h GLN 50 Cb 1.33 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.98 2k6b h GLN 50 CO 0.49 0.08 -0.86 0.77 -1.93 0.00 0.00 178.83 177.39 2k6b h SER 51 N 0.13 0.44 -0.22 -0.69 0.02 -1.93 -1.58 113.55 109.71 2k6b h SER 51 Ca 0.32 -0.33 -0.15 0.00 -0.84 0.00 0.00 61.79 60.79 2k6b h SER 51 Cb 1.07 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 2k6b h SER 51 CO -0.04 1.11 -0.41 0.00 -1.14 0.00 0.00 176.83 176.35 2k6b h ALA 52 N 0.87 0.68 -0.52 3.77 0.00 -1.08 0.25 119.26 123.22 2k6b h ALA 52 Ca -0.05 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 2k6b h ALA 52 Cb 1.47 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2k6b h ALA 52 CO 0.14 0.67 0.16 0.00 0.00 0.00 0.00 179.25 180.22 2k6b h ARG 53 N 0.63 0.81 -0.56 0.00 2.47 -1.10 0.45 114.38 117.08 2k6b h ARG 53 Ca 0.05 -0.18 -0.05 0.00 -1.26 0.00 0.00 59.98 58.54 2k6b h ARG 53 Cb 0.97 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 29.15 2k6b h ARG 53 CO 0.09 0.76 0.14 0.00 0.56 0.00 0.00 179.97 181.52 2k6b h ALA 54 N 1.02 0.73 -0.33 0.04 0.00 -0.95 0.58 119.26 120.35 2k6b h ALA 54 Ca 0.17 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2k6b h ALA 54 Cb 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2k6b h ALA 54 CO -0.00 0.43 0.20 -0.09 0.00 0.00 0.00 179.25 179.78 2k6b h ARG 55 N 0.79 0.45 -0.00 0.00 9.65 -0.30 -2.39 114.38 122.57 2k6b h ARG 55 Ca 0.18 -0.04 -0.08 0.00 -1.10 0.00 0.00 59.98 58.93 2k6b h ARG 55 Cb 0.33 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 2k6b h ARG 55 CO 0.00 0.35 -0.40 1.25 2.80 0.00 0.00 179.97 183.97 2k6b h LEU 56 N 0.43 0.01 -1.58 3.80 5.85 -0.64 -1.83 115.31 121.35 2k6b h LEU 56 Ca 0.12 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 2k6b h LEU 56 Cb 0.01 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2k6b h LEU 56 CO -0.02 0.41 -0.22 -1.28 -0.34 0.00 0.00 178.44 176.99 2k6b h SER 57 N 0.01 0.00 -0.31 1.25 0.87 -0.38 -1.38 113.55 113.61 2k6b h SER 57 Ca -0.00 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.37 2k6b h SER 57 Cb 0.71 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.67 2k6b h SER 57 CO 0.05 0.22 -0.52 -1.13 -0.53 0.00 0.00 176.83 174.92 2k6b h ASN 58 N 0.00 0.99 -0.14 6.23 -0.00 -1.07 -2.95 115.58 118.64 2k6b h ASN 58 Ca -0.00 -0.52 -0.01 0.00 -0.00 0.00 0.00 56.30 55.77 2k6b h ASN 58 Cb 0.39 -0.28 -0.01 0.00 -0.00 0.00 0.00 38.32 38.41 2k6b h ASN 58 CO 0.03 1.32 0.06 -0.07 -0.00 0.00 0.00 177.43 178.77 2k6b h LEU 59 N 0.69 0.22 -2.03 0.34 -0.00 -1.13 -1.35 115.31 112.05 2k6b h LEU 59 Ca 0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.88 2k6b h LEU 59 Cb 1.13 -0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 41.73 2k6b h LEU 59 CO 0.12 0.22 -0.05 0.00 -0.00 0.00 0.00 178.44 178.72 2k6b h ALA 60 N 1.82 1.10 0.11 1.53 0.00 -1.11 0.21 119.26 122.93 2k6b h ALA 60 Ca 0.06 -0.05 -0.30 0.00 0.00 0.00 0.00 54.91 54.62 2k6b h ALA 60 Cb 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2k6b h ALA 60 CO -0.01 0.07 -1.53 -0.07 0.00 0.00 0.00 179.25 177.71 2k6b h LEU 61 N 0.00 0.36 0.00 0.00 4.07 -1.30 -3.32 115.31 115.12 2k6b h LEU 61 Ca -0.00 -0.51 -0.13 0.00 0.08 0.00 0.00 57.88 57.32 2k6b h LEU 61 Cb 0.32 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.92 2k6b h LEU 61 CO 0.01 1.43 -0.75 -0.37 -1.08 0.00 0.00 178.44 177.68 2k6b h VAL 62 N 0.06 0.99 -2.00 1.22 -1.51 -1.26 -3.45 116.25 110.31 2k6b h VAL 62 Ca -0.24 -2.01 -0.42 0.00 -1.23 0.00 0.00 66.70 62.80 2k6b h VAL 62 Cb 2.01 2.15 -0.32 0.00 -2.13 0.00 0.00 31.29 33.00 2k6b h VAL 62 CO 0.16 0.34 -0.75 -0.54 -1.23 0.00 0.00 177.57 175.55 2k6b s LYS 63 N -2.26 0.74 0.53 5.19 1.02 0.69 -4.98 119.74 120.67 2k6b s LYS 63 Ca -0.23 -1.21 0.35 0.00 0.02 0.00 0.00 55.97 54.90 2k6b s LYS 63 Cb 0.03 -0.86 1.92 0.00 -0.52 0.00 0.00 37.83 38.40 2k6b s LYS 63 CO 0.54 -1.26 2.08 -1.00 -0.92 0.00 0.00 175.35 174.79 2k6b h PRO 64 N 6.51 0.00 -0.67 -1.68 0.13 -1.66 -1.70 132.00 132.93 2k6b h PRO 64 Ca 0.10 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.30 2k6b h PRO 64 Cb 1.02 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.09 2k6b h PRO 64 CO 0.22 0.00 0.35 0.93 -0.23 0.00 0.00 178.00 179.27 2k6b h GLU 65 N 0.00 0.62 0.00 0.86 3.07 -1.93 0.46 114.58 117.66 2k6b h GLU 65 Ca 0.00 -0.04 -0.18 0.00 -0.50 0.00 0.00 59.36 58.64 2k6b h GLU 65 Cb 0.02 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 27.76 2k6b h GLU 65 CO 0.00 0.41 -0.86 0.87 -1.40 0.00 0.00 179.01 178.03 2k6b h LYS 66 N 0.63 0.00 0.00 2.33 1.79 -1.66 -2.52 116.57 117.15 2k6b h LYS 66 Ca 0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 2k6b h LYS 66 Cb 0.26 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.91 2k6b h LYS 66 CO -0.22 0.86 -0.02 1.15 -1.08 0.00 0.00 179.45 180.15 2k6b h THR 67 N 0.00 0.96 -0.56 -0.16 2.02 -1.34 0.02 112.91 113.85 2k6b h THR 67 Ca -0.01 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.26 2k6b h THR 67 Cb 1.58 0.96 -0.07 0.00 -1.74 0.00 0.00 68.15 68.88 2k6b h THR 67 CO 0.11 0.00 0.18 0.11 0.37 0.00 0.00 175.52 176.30 2k6b h LYS 68 N -0.03 0.34 -0.21 6.66 1.57 -0.81 -0.51 116.57 123.58 2k6b h LYS 68 Ca 0.01 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2k6b h LYS 68 Cb 0.04 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2k6b h LYS 68 CO -0.02 0.23 -0.04 0.00 -0.57 0.00 0.00 179.45 179.05 2k6b h ALA 69 N 1.40 0.29 -0.49 3.86 0.00 -1.13 0.16 119.26 123.35 2k6b h ALA 69 Ca 0.28 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2k6b h ALA 69 Cb 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2k6b h ALA 69 CO -0.30 0.06 -0.14 -0.39 0.00 0.00 0.00 179.25 178.48 2k6b h VAL 70 N 0.14 1.27 -0.76 0.00 -1.51 -0.72 -0.42 116.25 114.25 2k6b h VAL 70 Ca 0.06 -1.29 -0.06 0.00 -1.23 0.00 0.00 66.70 64.18 2k6b h VAL 70 Cb 0.48 1.07 -0.03 0.00 -2.13 0.00 0.00 31.29 30.68 2k6b h VAL 70 CO 0.02 0.45 0.25 -0.33 -1.23 0.00 0.00 177.57 176.73 2k6b h GLU 71 N 0.82 1.16 -0.61 5.19 5.08 -1.02 -0.33 114.58 124.88 2k6b h GLU 71 Ca 0.12 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2k6b h GLU 71 Cb 0.70 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 2k6b h GLU 71 CO 0.05 0.97 0.36 -0.97 -1.00 0.00 0.00 179.01 178.42 2k6b h ASN 72 N 1.12 0.56 -0.37 1.42 -0.00 -0.40 -0.56 115.58 117.34 2k6b h ASN 72 Ca 0.25 0.01 -0.07 0.00 -0.00 0.00 0.00 56.30 56.49 2k6b h ASN 72 Cb 0.28 -0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 38.49 2k6b h ASN 72 CO -0.01 0.38 -0.05 0.22 -0.00 0.00 0.00 177.43 177.97 2k6b h TYR 73 N 0.69 0.77 -0.56 0.67 3.20 -0.33 -2.73 116.97 118.68 2k6b h TYR 73 Ca 0.26 -0.15 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 2k6b h TYR 73 Cb 0.09 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 2k6b h TYR 73 CO -0.07 0.82 0.12 -0.07 -1.64 0.00 0.00 178.16 177.32 2k6b h LEU 74 N 0.50 0.81 -0.63 2.82 -0.00 -0.69 0.63 115.31 118.76 2k6b h LEU 74 Ca 0.10 -0.16 0.08 0.00 -0.00 0.00 0.00 57.88 57.91 2k6b h LEU 74 Cb 0.55 -0.21 -0.07 0.00 -0.00 0.00 0.00 40.66 40.93 2k6b h LEU 74 CO 0.03 0.81 0.28 0.40 -0.00 0.00 0.00 178.44 179.96 2k6b h ILE 75 N 0.83 0.84 0.05 1.22 2.04 -0.96 0.18 117.51 121.71 2k6b h ILE 75 Ca 0.18 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2k6b h ILE 75 Cb 0.33 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2k6b h ILE 75 CO 0.00 0.09 -0.03 1.56 0.00 0.00 0.00 178.15 179.78 2k6b h GLN 76 N 0.50 -0.07 -0.64 2.37 4.20 -1.11 -1.56 115.11 118.80 2k6b h GLN 76 Ca 0.31 0.00 0.02 0.00 0.06 0.00 0.00 58.65 59.04 2k6b h GLN 76 Cb 0.32 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 2k6b h GLN 76 CO -0.26 0.30 0.43 0.52 -0.67 0.00 0.00 178.83 179.15 2k6b h MET 77 N -0.45 0.79 -0.17 1.46 2.86 -0.58 -0.67 114.93 118.16 2k6b h MET 77 Ca -0.01 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.46 2k6b h MET 77 Cb 0.40 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 2k6b h MET 77 CO 0.01 0.52 -0.44 0.00 1.06 0.00 0.00 176.91 178.06 2k6b h ALA 78 N 1.61 0.92 -0.17 6.32 0.00 -0.59 -2.99 119.26 124.35 2k6b h ALA 78 Ca 0.25 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2k6b h ALA 78 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2k6b h ALA 78 CO -0.06 0.64 -0.09 -0.09 0.00 0.00 0.00 179.25 179.65 2k6b h ARG 79 N 0.34 0.27 -0.00 0.00 9.65 -0.07 -0.42 114.38 124.15 2k6b h ARG 79 Ca 0.02 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2k6b h ARG 79 Cb 0.92 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.46 2k6b h ARG 79 CO 0.08 0.37 -0.00 0.66 2.80 0.00 0.00 179.97 183.88 2k6b n TYR 80 N -4.30 0.00 -3.17 2.20 4.01 -0.98 -4.91 117.16 110.02 2k6b n TYR 80 Ca -0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 2k6b n TYR 80 Cb 0.25 -0.38 0.05 0.00 -0.31 0.00 0.00 39.34 38.95 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 1.38 0.04 0.37 2.72 0.00 -0.17 -4.92 105.19 104.61 2k6b n GLY 81 Ca 0.11 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.25 0.96 -5.22 1.61 6.02 -1.15 -4.91 117.38 111.44 2k6b n GLN 82 Ca 0.00 -0.75 -0.32 0.00 -0.01 0.00 0.00 57.00 55.93 2k6b n GLN 82 Cb 0.54 -1.48 -0.16 0.00 1.02 0.00 0.00 30.24 30.15 2k6b n GLN 82 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2k6b s LEU 83 N -2.56 2.16 0.00 1.08 2.01 -1.26 -4.91 118.68 115.21 2k6b s LEU 83 Ca 0.18 -0.46 0.00 0.00 0.01 0.00 0.00 54.13 53.87 2k6b s LEU 83 Cb 0.18 -1.39 0.00 0.00 0.01 0.00 0.00 46.19 44.99 2k6b s LEU 83 CO 0.60 0.28 0.00 -1.20 1.01 0.00 0.00 176.35 177.04 2k6b n SER 84 N 2.74 0.00 -4.88 2.29 7.64 -1.26 -5.03 113.62 115.11 2k6b n SER 84 Ca -0.17 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.41 2k6b n SER 84 Cb 0.52 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.74 2k6b n SER 84 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2k6b s GLU 85 N -1.00 3.28 -0.01 1.43 0.41 -1.26 -4.99 118.70 116.56 2k6b s GLU 85 Ca 0.00 0.49 -0.19 0.00 -0.41 0.00 0.00 54.97 54.86 2k6b s GLU 85 Cb 0.00 -2.13 -0.05 0.00 -1.78 0.00 0.00 34.13 30.17 2k6b s GLU 85 CO 0.00 -0.68 0.55 0.15 -0.49 0.00 0.00 175.26 174.79 2k6b s LYS 86 N -5.15 4.25 -0.26 1.61 3.01 -1.26 -4.88 119.74 117.05 2k6b s LYS 86 Ca 0.55 0.65 -0.25 0.00 -1.01 0.00 0.00 55.97 55.90 2k6b s LYS 86 Cb -0.11 -3.32 -0.00 0.00 -1.01 0.00 0.00 37.83 33.39 2k6b s LYS 86 CO 0.51 0.42 0.86 0.08 0.51 0.00 0.00 175.35 177.73 2k6b s VAL 87 N -0.33 4.78 0.95 3.17 1.01 0.94 -4.76 120.40 126.17 2k6b s VAL 87 Ca 0.29 1.53 -0.15 0.00 0.00 0.00 0.00 61.98 63.65 2k6b s VAL 87 Cb -0.18 -4.17 0.21 0.00 0.00 0.00 0.00 36.38 32.24 2k6b s VAL 87 CO 0.16 -0.17 1.31 -0.94 0.00 0.00 0.00 175.10 175.46 2k6b s SER 88 N 1.43 3.09 0.17 3.32 1.04 -1.26 -1.02 113.70 120.47 2k6b s SER 88 Ca 0.36 0.14 -0.14 0.00 0.48 0.00 0.00 55.95 56.79 2k6b s SER 88 Cb -0.15 -0.16 0.10 0.00 0.10 0.00 0.00 66.02 65.91 2k6b s SER 88 CO 0.09 -2.74 1.79 -0.33 0.98 0.00 0.00 173.24 173.03 2k6b h GLU 89 N -1.59 0.47 0.00 4.02 5.08 -1.92 0.08 114.58 120.71 2k6b h GLU 89 Ca -0.43 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 2k6b h GLU 89 Cb 1.23 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 2k6b h GLU 89 CO 0.35 0.31 -0.08 1.96 -1.00 0.00 0.00 179.01 180.55 2k6b h GLN 90 N 0.48 0.00 0.16 2.33 1.08 -1.99 0.12 115.11 117.29 2k6b h GLN 90 Ca 0.20 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.15 2k6b h GLN 90 Cb 0.09 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.55 2k6b h GLN 90 CO -0.13 0.08 -1.06 0.78 -0.95 0.00 0.00 178.83 177.54 2k6b h GLY 91 N 0.33 0.49 1.66 3.46 0.00 -1.63 -3.24 103.07 104.15 2k6b h GLY 91 Ca -0.00 -1.18 -0.11 0.00 0.00 0.00 0.00 47.33 46.04 2k6b h GLY 91 CO 0.01 1.04 -0.36 -2.00 0.00 0.00 0.00 176.54 175.23 2k6b h LEU 92 N -0.09 0.40 -1.63 3.11 5.85 -0.28 -2.33 115.31 120.34 2k6b h LEU 92 Ca -0.18 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2k6b h LEU 92 Cb 1.82 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.72 2k6b h LEU 92 CO 0.20 0.73 0.25 0.40 -0.34 0.00 0.00 178.44 179.68 2k6b h ILE 93 N 0.33 1.10 -0.27 4.05 2.04 -0.89 0.21 117.51 124.08 2k6b h ILE 93 Ca 0.04 -0.18 -0.11 0.00 1.00 0.00 0.00 64.86 65.60 2k6b h ILE 93 Cb 0.79 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2k6b h ILE 93 CO 0.06 0.09 -0.30 -0.08 0.00 0.00 0.00 178.15 177.92 2k6b h GLU 94 N 0.51 0.56 -0.41 2.37 4.57 -1.44 -0.37 114.58 120.37 2k6b h GLU 94 Ca 0.14 -0.24 -0.15 0.00 -1.18 0.00 0.00 59.36 57.93 2k6b h GLU 94 Cb -0.06 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 2k6b h GLU 94 CO -0.03 0.80 -0.32 0.82 -1.18 0.00 0.00 179.01 179.10 2k6b h ILE 95 N 0.48 1.27 -0.81 2.32 1.08 -0.94 -2.00 117.51 118.92 2k6b h ILE 95 Ca 0.06 -1.49 0.02 0.00 -0.39 0.00 0.00 64.86 63.06 2k6b h ILE 95 Cb 0.77 1.32 -0.05 0.00 -3.07 0.00 0.00 36.82 35.79 2k6b h ILE 95 CO 0.06 0.50 0.53 0.25 -0.69 0.00 0.00 178.15 178.80 2k6b h LEU 96 N 0.77 0.89 -0.93 1.44 5.85 -0.13 0.20 115.31 123.40 2k6b h LEU 96 Ca 0.08 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 2k6b h LEU 96 Cb 0.91 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 2k6b h LEU 96 CO 0.08 0.63 -0.14 0.11 -0.34 0.00 0.00 178.44 178.78 2k6b h LYS 97 N 1.05 0.62 -0.37 1.25 1.79 -0.89 -0.14 116.57 119.88 2k6b h LYS 97 Ca 0.31 -0.20 -0.07 0.00 -2.18 0.00 0.00 60.65 58.51 2k6b h LYS 97 Cb -0.05 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 2k6b h LYS 97 CO -0.09 0.74 -0.04 -0.22 -1.08 0.00 0.00 179.45 178.76 2k6b h LYS 98 N 0.56 0.68 0.00 3.15 3.64 -0.51 -2.81 116.57 121.28 2k6b h LYS 98 Ca 0.10 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2k6b h LYS 98 Cb 0.57 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2k6b h LYS 98 CO 0.04 0.81 -0.02 1.33 -2.27 0.00 0.00 179.45 179.33 2k6b n VAL 99 N -4.44 0.52 0.28 2.00 0.24 -0.04 -2.27 118.33 114.62 2k6b n VAL 99 Ca -0.02 -0.25 0.17 0.00 -2.04 0.00 0.00 64.34 62.20 2k6b n VAL 99 Cb 0.31 -0.56 0.72 0.00 -1.47 0.00 0.00 33.84 32.85 2k6b n VAL 99 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2k6b h SER 100 N 0.00 0.00 0.00 -1.34 0.02 -0.75 -3.31 113.55 108.18 2k6b h SER 100 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k6b h SER 100 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2k6b h SER 100 CO 0.00 0.02 0.00 0.00 -1.14 0.00 0.00 176.83 175.71 2k6b n GLN 101 N -3.13 0.00 -0.03 3.45 1.13 -0.96 -4.92 117.38 112.91 2k6b n GLN 101 Ca 0.00 0.10 -0.03 0.00 -1.94 0.00 0.00 57.00 55.13 2k6b n GLN 101 Cb 0.29 -0.44 -0.04 0.00 0.11 0.00 0.00 30.24 30.16 2k6b n GLN 101 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2k6b n GLN 102 N -1.54 2.79 -2.15 -1.09 6.02 -1.14 -5.09 117.38 115.17 2k6b n GLN 102 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.97 2k6b n GLN 102 Cb 0.00 -1.13 -0.02 0.00 1.02 0.00 0.00 30.24 30.11 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 -2.25 -8.57 -1.66 5.09 -1.04 -1.23 -4.78 114.28 99.83 2k6b n THR 103 Ca -0.09 1.49 -0.39 0.00 -2.04 0.00 0.00 64.05 63.03 2k6b n THR 103 Cb 0.66 -5.41 -0.03 0.00 -1.82 0.00 0.00 70.33 63.73 2k6b n THR 103 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2k6b s GLU 104 N -0.85 2.54 -0.39 -2.82 0.41 -1.26 -2.78 118.70 113.55 2k6b s GLU 104 Ca -0.13 1.48 -0.13 0.00 -0.41 0.00 0.00 54.97 55.79 2k6b s GLU 104 Cb 0.01 -4.47 0.02 0.00 -1.78 0.00 0.00 34.13 27.90 2k6b s GLU 104 CO 0.46 -2.79 0.52 1.17 -0.49 0.00 0.00 175.26 174.14 2k6b n LYS 105 N 8.92 -2.01 -2.22 1.61 0.00 -1.26 -4.79 118.16 118.41 2k6b n LYS 105 Ca 0.32 1.87 -0.43 0.00 0.00 0.00 0.00 58.31 60.07 2k6b n LYS 105 Cb 0.51 -5.12 -0.02 0.00 0.00 0.00 0.00 35.03 30.40 2k6b n LYS 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2k6b s THR 106 N -2.42 3.79 0.00 3.15 2.01 -1.12 -4.63 115.64 116.43 2k6b s THR 106 Ca 0.20 0.85 0.00 0.00 0.31 0.00 0.00 61.69 63.06 2k6b s THR 106 Cb -0.06 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.52 2k6b s THR 106 CO 0.66 -0.50 0.00 0.41 -0.69 0.00 0.00 174.62 174.50 2k6b n THR 107 N 6.81 0.00 0.00 -0.82 -1.04 -1.26 -5.08 114.28 112.89 2k6b n THR 107 Ca 0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 2k6b n THR 107 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 2k6b n THR 107 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2k6b n THR 108 N -0.45 0.00 -3.74 12.58 -1.04 -1.26 -4.65 114.28 115.72 2k6b n THR 108 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 2k6b n THR 108 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 2k6b n THR 108 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2k6b s VAL 109 N 0.00 0.00 -0.53 12.58 -7.23 -1.26 -4.59 120.40 119.37 2k6b s VAL 109 Ca 0.00 -0.54 -0.22 0.00 -1.81 0.00 0.00 61.98 59.42 2k6b s VAL 109 Cb 0.00 -2.10 0.05 0.00 0.56 0.00 0.00 36.38 34.89 2k6b s VAL 109 CO 0.00 0.00 0.80 -0.75 -0.31 0.00 0.00 175.10 174.84 2k6b s LYS 110 N -2.93 3.24 0.71 4.82 2.36 -1.26 -5.03 119.74 121.65 2k6b s LYS 110 Ca 0.14 -0.55 -0.05 0.00 -2.55 0.00 0.00 55.97 52.96 2k6b s LYS 110 Cb 0.00 -4.08 0.08 0.00 -1.05 0.00 0.00 37.83 32.79 2k6b s LYS 110 CO 0.01 -1.38 1.00 -0.06 1.55 0.00 0.00 175.35 176.48 2k6b s PHE 111 N 3.37 2.53 0.00 4.03 0.08 -1.26 -4.43 117.98 122.30 2k6b s PHE 111 Ca 0.24 0.22 0.00 0.00 0.12 0.00 0.00 56.93 57.51 2k6b s PHE 111 Cb -0.16 -3.18 0.00 0.00 -0.57 0.00 0.00 43.02 39.11 2k6b s PHE 111 CO 0.16 -1.51 0.00 -1.71 -0.10 0.00 0.00 175.22 172.06