#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 6.09 -0.11 1.61 0.01 -1.26 -4.71 113.70 115.33 2k6b s SER 1 Ca 0.00 -1.74 -0.16 0.00 1.31 0.00 0.00 55.95 55.36 2k6b s SER 1 Cb 0.00 -2.58 -0.14 0.00 0.21 0.00 0.00 66.02 63.52 2k6b s SER 1 CO 0.00 -1.93 0.47 0.00 0.41 0.00 0.00 173.24 172.19 2k6b h ALA 2 N 9.21 -0.03 0.14 1.44 0.00 -2.04 -3.17 119.26 124.80 2k6b h ALA 2 Ca 0.28 -0.26 -0.30 0.00 0.00 0.00 0.00 54.91 54.63 2k6b h ALA 2 Cb 0.94 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.78 2k6b h ALA 2 CO 1.36 -0.05 -1.25 0.22 0.00 0.00 0.00 179.25 179.54 2k6b h ASP 3 N -0.98 0.86 -0.54 0.00 3.58 -1.99 -2.92 116.42 114.42 2k6b h ASP 3 Ca -0.00 -0.84 -0.06 0.00 0.42 0.00 0.00 57.03 56.55 2k6b h ASP 3 Cb 0.52 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 2k6b h ASP 3 CO 0.01 1.62 0.09 -0.33 -2.88 0.00 0.00 179.24 177.75 2k6b h GLU 4 N 0.23 0.90 0.00 0.28 3.07 -1.93 0.57 114.58 117.71 2k6b h GLU 4 Ca -0.19 -0.24 -0.10 0.00 -0.50 0.00 0.00 59.36 58.33 2k6b h GLU 4 Cb 1.93 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.72 2k6b h GLU 4 CO 0.24 0.87 -0.49 0.93 -1.40 0.00 0.00 179.01 179.16 2k6b h GLU 5 N 0.79 0.00 0.23 2.33 5.08 -1.65 -0.08 114.58 121.27 2k6b h GLU 5 Ca 0.17 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2k6b h GLU 5 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2k6b h GLU 5 CO 0.01 0.49 -0.11 1.25 -1.00 0.00 0.00 179.01 179.64 2k6b h LEU 6 N 0.00 -0.26 -0.72 1.33 6.46 -1.20 -1.33 115.31 119.58 2k6b h LEU 6 Ca -0.00 -0.15 0.08 0.00 -0.12 0.00 0.00 57.88 57.68 2k6b h LEU 6 Cb 1.02 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.96 2k6b h LEU 6 CO 0.06 0.01 0.39 -0.33 -0.62 0.00 0.00 178.44 177.95 2k6b h GLU 7 N -0.54 0.66 0.31 1.25 4.39 -0.75 0.68 114.58 120.57 2k6b h GLU 7 Ca -0.03 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2k6b h GLU 7 Cb 0.40 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 2k6b h GLU 7 CO 0.05 0.43 -0.36 0.00 -1.16 0.00 0.00 179.01 177.98 2k6b h ALA 8 N 1.40 -0.74 -0.68 3.43 0.00 -0.86 0.24 119.26 122.05 2k6b h ALA 8 Ca 0.34 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2k6b h ALA 8 Cb 0.29 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2k6b h ALA 8 CO -0.23 -0.96 0.24 1.25 0.00 0.00 0.00 179.25 179.56 2k6b h LEU 9 N -0.71 0.97 -0.36 0.00 5.85 -0.97 0.93 115.31 121.02 2k6b h LEU 9 Ca -0.01 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.56 2k6b h LEU 9 Cb 0.66 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 2k6b h LEU 9 CO -0.09 0.90 0.09 -0.09 -0.34 0.00 0.00 178.44 178.91 2k6b h ARG 10 N 0.98 0.22 -0.03 1.25 2.43 -0.60 -0.67 114.38 117.96 2k6b h ARG 10 Ca 0.22 -0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 59.18 2k6b h ARG 10 Cb 0.26 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2k6b h ARG 10 CO -0.01 0.15 -0.82 0.00 -1.51 0.00 0.00 179.97 177.77 2k6b h ARG 11 N 0.23 0.35 -0.57 0.20 3.08 -0.67 0.19 114.38 117.18 2k6b h ARG 11 Ca 0.17 -0.33 0.05 0.00 0.07 0.00 0.00 59.98 59.94 2k6b h ARG 11 Cb 0.18 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 2k6b h ARG 11 CO -0.21 1.00 0.31 0.37 -1.07 0.00 0.00 179.97 180.37 2k6b h GLN 12 N 0.22 0.57 0.08 0.04 4.15 -0.21 0.66 115.11 120.61 2k6b h GLN 12 Ca -0.05 -0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.22 2k6b h GLN 12 Cb 1.43 -0.13 0.01 0.00 0.21 0.00 0.00 27.48 29.00 2k6b h GLN 12 CO 0.14 0.37 -0.52 -0.09 -1.93 0.00 0.00 178.83 176.80 2k6b h ARG 13 N 0.58 0.21 -0.23 1.69 9.65 -1.10 -3.36 114.38 121.82 2k6b h ARG 13 Ca 0.25 -0.34 -0.04 0.00 -1.10 0.00 0.00 59.98 58.76 2k6b h ARG 13 Cb 0.14 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 2k6b h ARG 13 CO -0.16 1.14 -0.03 1.25 2.80 0.00 0.00 179.97 184.97 2k6b h LEU 14 N -0.54 0.33 -1.46 3.80 5.85 -0.78 -2.15 115.31 120.36 2k6b h LEU 14 Ca -0.09 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 2k6b h LEU 14 Cb 1.39 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 2k6b h LEU 14 CO 0.10 0.41 -0.26 0.00 -0.34 0.00 0.00 178.44 178.35 2k6b h ALA 15 N 1.64 1.29 0.08 1.25 0.00 -1.02 0.42 119.26 122.92 2k6b h ALA 15 Ca 0.08 -0.24 -0.25 0.00 0.00 0.00 0.00 54.91 54.50 2k6b h ALA 15 Cb 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2k6b h ALA 15 CO 0.01 0.33 -1.12 0.93 0.00 0.00 0.00 179.25 179.39 2k6b h GLU 16 N 0.00 0.20 -0.22 0.00 4.39 -1.54 -3.23 114.58 114.18 2k6b h GLU 16 Ca -0.00 -0.31 -0.15 0.00 0.34 0.00 0.00 59.36 59.23 2k6b h GLU 16 Cb 0.56 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2k6b h GLU 16 CO 0.03 1.13 -0.46 1.25 -1.16 0.00 0.00 179.01 179.80 2k6b h LEU 17 N 0.07 0.78 0.00 1.33 6.46 -1.04 -3.46 115.31 119.44 2k6b h LEU 17 Ca -0.09 -0.55 0.00 0.00 -0.12 0.00 0.00 57.88 57.12 2k6b h LEU 17 Cb 1.85 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 41.55 2k6b h LEU 17 CO 0.18 1.19 0.00 1.67 -0.62 0.00 0.00 178.44 180.86 2k6b n GLN 18 N -4.16 0.00 -2.35 1.25 7.27 0.14 -4.80 117.38 114.73 2k6b n GLN 18 Ca -0.06 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.65 2k6b n GLN 18 Cb 0.57 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.20 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 0.00 2.60 -0.85 1.69 0.00 -1.26 -4.87 121.76 119.08 2k6b s ALA 19 Ca 0.00 -2.51 -0.21 0.00 0.00 0.00 0.00 51.96 49.24 2k6b s ALA 19 Cb 0.00 -4.65 0.10 0.00 0.00 0.00 0.00 23.12 18.57 2k6b s ALA 19 CO 0.00 -4.16 1.11 0.21 0.00 0.00 0.00 175.76 172.92 2k6b s LYS 20 N 5.29 3.43 -1.20 0.00 2.36 -1.26 -4.94 119.74 123.42 2k6b s LYS 20 Ca 0.60 -1.36 -0.16 0.00 -2.55 0.00 0.00 55.97 52.50 2k6b s LYS 20 Cb 0.01 -4.73 0.13 0.00 -1.05 0.00 0.00 37.83 32.19 2k6b s LYS 20 CO 0.09 -1.84 1.51 -3.38 1.55 0.00 0.00 175.35 173.28 2k6b s HIS 21 N 3.44 3.16 -0.40 4.03 -3.43 -1.26 -4.66 115.29 116.17 2k6b s HIS 21 Ca 0.31 -1.82 0.04 0.00 -0.80 0.00 0.00 55.06 52.79 2k6b s HIS 21 Cb -0.08 -4.49 0.18 0.00 -1.43 0.00 0.00 32.58 26.76 2k6b s HIS 21 CO -0.03 -1.58 0.74 0.20 -2.00 0.00 0.00 174.74 172.07 2k6b s GLY 22 N 3.51 -1.34 0.00 -1.38 0.00 -1.26 -5.13 107.32 101.71 2k6b s GLY 22 Ca 0.46 0.38 0.04 0.00 0.00 0.00 0.00 44.72 45.60 2k6b s GLY 22 CO 0.01 3.82 -0.12 0.51 0.00 0.00 0.00 173.10 177.32 2k6b s ASP 23 N 1.75 1.43 -0.03 1.64 1.47 -1.26 -5.04 116.67 116.64 2k6b s ASP 23 Ca 0.17 -0.26 0.05 0.00 1.18 0.00 0.00 52.55 53.69 2k6b s ASP 23 Cb -0.02 -0.14 0.19 0.00 -0.34 0.00 0.00 42.92 42.61 2k6b s ASP 23 CO -0.09 0.12 1.00 -0.81 0.68 0.00 0.00 175.17 176.07 2k6b n PRO 24 N 2.61 1.68 0.00 2.11 -0.04 -1.26 -3.77 135.00 136.33 2k6b n PRO 24 Ca -0.15 -0.73 0.00 0.00 -0.04 0.00 0.00 63.50 62.58 2k6b n PRO 24 Cb 0.56 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 2k6b n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k6b n GLY 25 N 0.51 -0.04 0.07 0.55 0.00 -1.26 -4.55 105.19 100.48 2k6b n GLY 25 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 2k6b n GLY 25 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2k6b h ASP 26 N 0.00 -0.05 0.09 1.61 3.58 -2.00 -1.75 116.42 117.90 2k6b h ASP 26 Ca 0.00 -0.39 -0.01 0.00 0.42 0.00 0.00 57.03 57.05 2k6b h ASP 26 Cb 0.00 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.06 2k6b h ASP 26 CO 0.00 0.37 -0.04 0.00 -2.88 0.00 0.00 179.24 176.69 2k6b h ALA 27 N 0.46 1.60 -0.03 -0.78 0.00 -1.90 0.18 119.26 118.77 2k6b h ALA 27 Ca -0.01 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 2k6b h ALA 27 Cb 0.43 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2k6b h ALA 27 CO 0.01 0.05 -0.72 0.00 0.00 0.00 0.00 179.25 178.60 2k6b h ALA 28 N 1.96 0.13 -0.14 0.00 0.00 -1.58 -2.90 119.26 116.73 2k6b h ALA 28 Ca -0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 2k6b h ALA 28 Cb 0.10 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2k6b h ALA 28 CO 0.01 0.48 -0.10 1.96 0.00 0.00 0.00 179.25 181.59 2k6b h GLN 29 N 0.13 0.31 -0.51 0.00 1.08 -0.35 -3.27 115.11 112.50 2k6b h GLN 29 Ca -0.08 -0.15 0.03 0.00 -1.45 0.00 0.00 58.65 57.00 2k6b h GLN 29 Cb 1.39 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.78 2k6b h GLN 29 CO 0.14 0.68 0.29 1.96 -0.95 0.00 0.00 178.83 180.95 2k6b h GLN 30 N -0.05 0.55 0.00 1.46 1.08 -0.80 -1.80 115.11 115.54 2k6b h GLN 30 Ca 0.03 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 2k6b h GLN 30 Cb 0.61 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.91 2k6b h GLN 30 CO 0.03 0.37 -0.06 0.93 -0.95 0.00 0.00 178.83 179.15 2k6b h GLU 31 N 0.57 0.00 0.12 1.46 4.39 -1.58 0.47 114.58 120.01 2k6b h GLU 31 Ca 0.22 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.73 2k6b h GLU 31 Cb 0.07 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2k6b h GLU 31 CO -0.12 0.06 -0.87 0.00 -1.16 0.00 0.00 179.01 176.91 2k6b h ALA 32 N 1.94 -0.02 -0.22 3.43 0.00 -1.45 -3.22 119.26 119.72 2k6b h ALA 32 Ca -0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 54.91 54.09 2k6b h ALA 32 Cb 0.12 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2k6b h ALA 32 CO 0.01 0.44 -0.07 -0.22 0.00 0.00 0.00 179.25 179.41 2k6b h LYS 33 N -0.44 0.34 -0.08 0.00 1.63 -0.83 -2.47 116.57 114.72 2k6b h LYS 33 Ca -0.17 -0.07 0.04 0.00 -0.85 0.00 0.00 60.65 59.60 2k6b h LYS 33 Cb 1.60 -0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 33.12 2k6b h LYS 33 CO 0.11 0.42 -0.34 1.25 -3.45 0.00 0.00 179.45 177.44 2k6b h HIS 34 N 0.32 -0.94 0.00 1.91 2.76 -0.16 -1.20 115.15 117.85 2k6b h HIS 34 Ca 0.07 0.04 -0.10 0.00 -2.20 0.00 0.00 60.37 58.18 2k6b h HIS 34 Cb 0.33 0.43 -0.01 0.00 1.55 0.00 0.00 27.41 29.71 2k6b h HIS 34 CO 0.01 -0.42 -0.48 0.00 -1.30 0.00 0.00 177.93 175.74 2k6b h ARG 35 N -0.44 0.00 -0.52 5.26 3.08 -1.48 -1.16 114.38 119.11 2k6b h ARG 35 Ca 0.08 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 2k6b h ARG 35 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 2k6b h ARG 35 CO -0.33 0.48 0.18 0.93 -1.07 0.00 0.00 179.97 180.15 2k6b h GLU 36 N 0.00 0.80 -0.21 0.04 4.39 -0.97 -0.18 114.58 118.45 2k6b h GLU 36 Ca -0.00 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.49 2k6b h GLU 36 Cb 0.91 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 2k6b h GLU 36 CO 0.06 0.73 -0.04 0.00 -1.16 0.00 0.00 179.01 178.60 2k6b h ALA 37 N 1.03 0.29 -0.39 3.43 0.00 -0.89 -3.12 119.26 119.61 2k6b h ALA 37 Ca 0.17 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2k6b h ALA 37 Cb 0.25 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2k6b h ALA 37 CO -0.01 0.05 0.15 0.93 0.00 0.00 0.00 179.25 180.37 2k6b h GLU 38 N 0.13 0.30 -0.42 0.00 5.08 -1.00 -0.29 114.58 118.38 2k6b h GLU 38 Ca 0.06 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2k6b h GLU 38 Cb 0.47 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 2k6b h GLU 38 CO 0.02 0.20 0.19 1.98 -1.00 0.00 0.00 179.01 180.40 2k6b h MET 39 N 0.31 0.38 0.10 2.33 4.05 -1.05 0.49 114.93 121.54 2k6b h MET 39 Ca 0.18 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.57 2k6b h MET 39 Cb 0.15 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 2k6b h MET 39 CO -0.17 0.25 -0.05 0.00 0.23 0.00 0.00 176.91 177.17 2k6b h ARG 40 N 0.39 -0.13 -0.43 0.39 3.08 -1.42 -2.98 114.38 113.27 2k6b h ARG 40 Ca 0.18 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.29 2k6b h ARG 40 Cb 0.11 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 2k6b h ARG 40 CO -0.15 0.34 0.19 -0.97 -1.07 0.00 0.00 179.97 178.31 2k6b h ASN 41 N -0.68 0.25 -0.47 7.04 -1.24 -0.93 -0.70 115.58 118.84 2k6b h ASN 41 Ca -0.01 0.03 -0.11 0.00 0.71 0.00 0.00 56.30 56.92 2k6b h ASN 41 Cb 0.53 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.56 2k6b h ASN 41 CO 0.02 0.18 -0.14 0.28 -1.29 0.00 0.00 177.43 176.49 2k6b h SER 42 N 0.38 0.93 -0.08 1.15 0.02 -0.99 0.85 113.55 115.82 2k6b h SER 42 Ca 0.19 -0.37 -0.19 0.00 -0.84 0.00 0.00 61.79 60.58 2k6b h SER 42 Cb 0.14 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.43 2k6b h SER 42 CO -0.16 1.09 -0.64 0.16 -1.14 0.00 0.00 176.83 176.14 2k6b h ILE 43 N 0.76 1.30 -0.75 3.27 3.07 -1.33 -2.19 117.51 121.65 2k6b h ILE 43 Ca 0.12 -1.87 -0.03 0.00 1.55 0.00 0.00 64.86 64.62 2k6b h ILE 43 Cb 0.69 1.83 -0.03 0.00 -0.27 0.00 0.00 36.82 39.04 2k6b h ILE 43 CO 0.05 0.59 0.34 -0.07 -1.05 0.00 0.00 178.15 178.01 2k6b h LEU 44 N 0.51 1.00 -1.58 0.16 3.38 -0.99 -0.93 115.31 116.86 2k6b h LEU 44 Ca -0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2k6b h LEU 44 Cb 1.23 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 2k6b h LEU 44 CO 0.13 0.87 -0.10 0.00 0.09 0.00 0.00 178.44 179.43 2k6b h ALA 45 N 1.17 1.06 0.03 1.53 0.00 -0.70 0.18 119.26 122.54 2k6b h ALA 45 Ca 0.25 -0.09 -0.29 0.00 0.00 0.00 0.00 54.91 54.79 2k6b h ALA 45 Cb 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2k6b h ALA 45 CO -0.03 0.12 -1.59 1.96 0.00 0.00 0.00 179.25 179.71 2k6b h GLN 46 N 0.00 0.07 0.08 0.00 1.08 -0.74 -3.39 115.11 112.22 2k6b h GLN 46 Ca -0.00 -0.13 -0.33 0.00 -1.45 0.00 0.00 58.65 56.75 2k6b h GLN 46 Cb 0.51 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.96 2k6b h GLN 46 CO 0.01 0.77 -1.79 -0.39 -0.95 0.00 0.00 178.83 176.48 2k6b h VAL 47 N 0.02 0.82 -3.50 -0.54 -1.51 -0.99 -3.43 116.25 107.12 2k6b h VAL 47 Ca -0.25 -2.56 -0.62 0.00 -1.23 0.00 0.00 66.70 62.04 2k6b h VAL 47 Cb 1.98 2.54 -0.15 0.00 -2.13 0.00 0.00 31.29 33.52 2k6b h VAL 47 CO 0.10 0.75 -0.53 -0.76 -1.23 0.00 0.00 177.57 175.90 2k6b s LEU 48 N -6.72 4.00 0.00 4.19 1.43 0.60 0.28 118.68 122.46 2k6b s LEU 48 Ca -0.13 0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 52.95 2k6b s LEU 48 Cb 0.07 -2.06 0.13 0.00 0.03 0.00 0.00 46.19 44.36 2k6b s LEU 48 CO 0.81 0.09 0.71 -0.67 0.23 0.00 0.00 176.35 177.51 2k6b n ASP 49 N 4.13 -0.21 -0.34 2.29 2.03 -1.07 -4.42 116.55 118.96 2k6b n ASP 49 Ca -0.16 -1.20 0.05 0.00 0.52 0.00 0.00 54.79 54.00 2k6b n ASP 49 Cb 0.52 -0.56 0.20 0.00 -0.72 0.00 0.00 41.12 40.56 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 0.00 0.96 0.03 -0.67 5.75 -1.90 0.11 115.11 119.37 2k6b h GLN 50 Ca -0.23 -0.06 -0.22 0.00 -0.15 0.00 0.00 58.65 57.99 2k6b h GLN 50 Cb 0.66 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 2k6b h GLN 50 CO 0.16 0.63 -1.04 0.77 -2.65 0.00 0.00 178.83 176.71 2k6b h SER 51 N 0.98 0.09 0.08 -0.69 0.02 -1.93 -1.98 113.55 110.13 2k6b h SER 51 Ca 0.45 -0.10 -0.15 0.00 -0.84 0.00 0.00 61.79 61.15 2k6b h SER 51 Cb 0.36 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 2k6b h SER 51 CO -0.23 1.06 -0.52 0.00 -1.14 0.00 0.00 176.83 176.00 2k6b h ALA 52 N 0.92 0.78 -0.51 3.77 0.00 -1.53 0.29 119.26 122.99 2k6b h ALA 52 Ca -0.04 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 2k6b h ALA 52 Cb 1.79 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 2k6b h ALA 52 CO 0.14 0.68 0.09 0.00 0.00 0.00 0.00 179.25 180.16 2k6b h ARG 53 N 0.38 0.83 -0.59 0.00 2.47 -0.77 0.86 114.38 117.55 2k6b h ARG 53 Ca 0.01 -0.22 -0.09 0.00 -1.26 0.00 0.00 59.98 58.43 2k6b h ARG 53 Cb 1.03 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 29.23 2k6b h ARG 53 CO 0.09 0.82 0.03 0.00 0.56 0.00 0.00 179.97 181.47 2k6b h ALA 54 N 0.98 0.93 -0.45 0.04 0.00 -1.05 -2.07 119.26 117.64 2k6b h ALA 54 Ca 0.15 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2k6b h ALA 54 Cb 0.38 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2k6b h ALA 54 CO 0.01 0.65 0.02 -0.09 0.00 0.00 0.00 179.25 179.83 2k6b h ARG 55 N 0.93 0.73 -0.37 0.00 9.65 -0.15 0.71 114.38 125.88 2k6b h ARG 55 Ca 0.17 -0.18 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 2k6b h ARG 55 Cb 0.50 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.97 2k6b h ARG 55 CO 0.02 0.73 0.12 1.25 2.80 0.00 0.00 179.97 184.89 2k6b h LEU 56 N 0.69 0.53 -0.60 3.80 5.85 -0.43 0.42 115.31 125.56 2k6b h LEU 56 Ca 0.14 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 2k6b h LEU 56 Cb 0.40 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2k6b h LEU 56 CO 0.01 0.58 0.26 0.28 -0.34 0.00 0.00 178.44 179.24 2k6b h SER 57 N 0.44 0.81 -0.44 1.25 0.02 -0.94 0.13 113.55 114.82 2k6b h SER 57 Ca 0.12 -0.15 0.05 0.00 -0.84 0.00 0.00 61.79 60.97 2k6b h SER 57 Cb 0.24 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.52 2k6b h SER 57 CO -0.01 0.74 0.16 -1.13 -1.14 0.00 0.00 176.83 175.45 2k6b h ASN 58 N 0.83 0.17 0.49 3.07 -0.73 -0.52 -0.65 115.58 118.24 2k6b h ASN 58 Ca 0.20 0.05 -0.18 0.00 1.87 0.00 0.00 56.30 58.24 2k6b h ASN 58 Cb 0.16 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.77 2k6b h ASN 58 CO -0.02 0.13 -0.79 0.17 -0.37 0.00 0.00 177.43 176.55 2k6b h LEU 59 N 0.33 0.28 -1.11 0.34 8.10 -0.66 -3.15 115.31 119.44 2k6b h LEU 59 Ca 0.21 -0.21 0.02 0.00 0.11 0.00 0.00 57.88 58.00 2k6b h LEU 59 Cb 0.20 -0.09 -0.05 0.00 -0.44 0.00 0.00 40.66 40.28 2k6b h LEU 59 CO -0.21 0.96 0.60 0.00 -4.11 0.00 0.00 178.44 175.69 2k6b h ALA 60 N 1.02 1.37 0.00 0.17 0.00 -0.30 0.12 119.26 121.64 2k6b h ALA 60 Ca -0.03 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2k6b h ALA 60 Cb 1.38 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2k6b h ALA 60 CO 0.12 0.57 -0.40 1.25 0.00 0.00 0.00 179.25 180.80 2k6b h LEU 61 N 1.21 0.00 0.03 0.00 5.85 -1.09 -3.06 115.31 118.26 2k6b h LEU 61 Ca 0.34 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.73 2k6b h LEU 61 Cb -0.10 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2k6b h LEU 61 CO -0.08 0.40 -1.85 1.33 -0.34 0.00 0.00 178.44 177.89 2k6b n VAL 62 N -3.57 1.59 -3.43 1.05 0.24 -0.92 -4.84 118.33 108.45 2k6b n VAL 62 Ca -0.00 -0.32 -0.27 0.00 -2.04 0.00 0.00 64.34 61.71 2k6b n VAL 62 Cb 0.52 -1.87 -0.11 0.00 -1.47 0.00 0.00 33.84 30.91 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 -2.46 0.63 0.06 7.34 1.02 0.38 -4.97 119.74 121.74 2k6b s LYS 63 Ca -0.30 -1.43 0.13 0.00 0.02 0.00 0.00 55.97 54.38 2k6b s LYS 63 Cb 0.08 -1.25 0.56 0.00 -0.52 0.00 0.00 37.83 36.71 2k6b s LYS 63 CO 0.61 -1.25 1.41 -0.35 -0.92 0.00 0.00 175.35 174.85 2k6b n PRO 64 N 3.81 0.04 -0.09 -1.68 -0.04 -1.15 -2.20 135.00 133.68 2k6b n PRO 64 Ca 0.16 0.35 -0.11 0.00 -0.04 0.00 0.00 63.50 63.86 2k6b n PRO 64 Cb 0.40 -1.58 -0.04 0.00 -0.04 0.00 0.00 33.50 32.24 2k6b n PRO 64 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k6b h GLU 65 N 0.00 0.46 0.00 0.54 3.07 -1.92 -2.43 114.58 114.30 2k6b h GLU 65 Ca 0.00 -0.15 -0.17 0.00 -0.50 0.00 0.00 59.36 58.54 2k6b h GLU 65 Cb 0.20 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 2k6b h GLU 65 CO 0.00 0.63 -0.80 0.87 -1.40 0.00 0.00 179.01 178.31 2k6b h LYS 66 N 0.23 0.00 -0.86 2.33 1.79 -1.81 -3.03 116.57 115.21 2k6b h LYS 66 Ca 0.07 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.57 2k6b h LYS 66 Cb 0.43 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.03 2k6b h LYS 66 CO 0.01 0.80 0.56 1.15 -1.08 0.00 0.00 179.45 180.89 2k6b h THR 67 N 0.00 1.16 -0.46 -0.16 2.02 -1.40 -0.85 112.91 113.23 2k6b h THR 67 Ca -0.01 -0.38 0.04 0.00 0.77 0.00 0.00 66.41 66.83 2k6b h THR 67 Cb 1.51 -0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 2k6b h THR 67 CO 0.10 0.20 0.23 0.11 0.37 0.00 0.00 175.52 176.54 2k6b h LYS 68 N 1.11 0.45 -0.21 6.66 1.57 -1.31 0.13 116.57 124.96 2k6b h LYS 68 Ca 0.33 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 2k6b h LYS 68 Cb -0.04 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2k6b h LYS 68 CO -0.10 0.30 0.08 0.00 -0.57 0.00 0.00 179.45 179.16 2k6b h ALA 69 N 1.24 0.27 -0.41 3.86 0.00 -1.42 0.97 119.26 123.78 2k6b h ALA 69 Ca 0.20 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2k6b h ALA 69 Cb 0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2k6b h ALA 69 CO -0.13 -0.13 0.03 -0.39 0.00 0.00 0.00 179.25 178.62 2k6b h VAL 70 N 0.19 1.25 -0.36 0.00 -1.51 -0.91 0.11 116.25 115.02 2k6b h VAL 70 Ca 0.07 -0.96 -0.01 0.00 -1.23 0.00 0.00 66.70 64.58 2k6b h VAL 70 Cb 0.18 1.07 -0.02 0.00 -2.13 0.00 0.00 31.29 30.39 2k6b h VAL 70 CO -0.01 0.33 0.19 -0.33 -1.23 0.00 0.00 177.57 176.53 2k6b h GLU 71 N 0.55 0.50 -0.99 5.19 5.08 -0.87 0.87 114.58 124.91 2k6b h GLU 71 Ca 0.12 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2k6b h GLU 71 Cb 0.43 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 2k6b h GLU 71 CO 0.02 0.42 0.63 -0.97 -1.00 0.00 0.00 179.01 178.10 2k6b h ASN 72 N 0.45 1.00 -0.06 1.42 -0.73 -0.61 0.92 115.58 117.96 2k6b h ASN 72 Ca 0.13 0.02 -0.12 0.00 1.87 0.00 0.00 56.30 58.20 2k6b h ASN 72 Cb 0.06 -0.19 0.01 0.00 0.27 0.00 0.00 38.32 38.47 2k6b h ASN 72 CO -0.02 0.62 -0.42 0.22 -0.37 0.00 0.00 177.43 177.46 2k6b h TYR 73 N 1.13 0.53 -0.67 0.67 3.20 -0.48 -2.90 116.97 118.46 2k6b h TYR 73 Ca 0.44 -0.25 0.01 0.00 3.14 0.00 0.00 58.73 62.06 2k6b h TYR 73 Cb 0.22 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 2k6b h TYR 73 CO -0.01 1.02 0.44 -0.07 -1.64 0.00 0.00 178.16 177.90 2k6b h LEU 74 N -0.11 0.77 -0.44 2.82 -0.00 -0.32 -0.03 115.31 118.00 2k6b h LEU 74 Ca -0.04 -0.02 0.05 0.00 -0.00 0.00 0.00 57.88 57.87 2k6b h LEU 74 Cb 1.09 -0.19 -0.05 0.00 -0.00 0.00 0.00 40.66 41.51 2k6b h LEU 74 CO 0.09 0.56 0.18 0.40 -0.00 0.00 0.00 178.44 179.66 2k6b h ILE 75 N 0.91 0.89 0.09 1.22 2.04 -0.89 0.28 117.51 122.06 2k6b h ILE 75 Ca 0.24 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 2k6b h ILE 75 Cb -0.10 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2k6b h ILE 75 CO -0.05 0.07 -0.04 1.56 0.00 0.00 0.00 178.15 179.68 2k6b h GLN 76 N 0.36 -0.12 -0.50 2.37 4.20 -1.25 0.13 115.11 120.31 2k6b h GLN 76 Ca 0.20 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.87 2k6b h GLN 76 Cb 0.17 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2k6b h GLN 76 CO -0.19 0.12 0.09 1.98 -0.67 0.00 0.00 178.83 180.16 2k6b h MET 77 N -0.35 0.77 -0.48 1.46 4.05 -0.79 0.21 114.93 119.79 2k6b h MET 77 Ca -0.01 -0.17 -0.13 0.00 -0.28 0.00 0.00 59.70 59.11 2k6b h MET 77 Cb 0.29 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 2k6b h MET 77 CO 0.02 0.72 -0.19 0.00 0.23 0.00 0.00 176.91 177.69 2k6b h ALA 78 N 1.36 0.68 -0.82 0.39 0.00 -0.35 -1.88 119.26 118.63 2k6b h ALA 78 Ca 0.16 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2k6b h ALA 78 Cb 0.33 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2k6b h ALA 78 CO 0.00 0.65 0.41 -0.09 0.00 0.00 0.00 179.25 180.23 2k6b h ARG 79 N 0.84 1.16 0.00 0.00 2.43 -0.05 -1.70 114.38 117.07 2k6b h ARG 79 Ca 0.11 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2k6b h ARG 79 Cb 0.77 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2k6b h ARG 79 CO 0.06 0.88 0.00 0.66 -1.51 0.00 0.00 179.97 180.06 2k6b n TYR 80 N -4.32 0.26 -2.12 2.20 4.01 -0.03 -4.86 117.16 112.31 2k6b n TYR 80 Ca 0.08 0.09 -0.02 0.00 -0.16 0.00 0.00 57.90 57.90 2k6b n TYR 80 Cb 0.13 -0.65 0.00 0.00 -0.31 0.00 0.00 39.34 38.50 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 0.38 0.37 0.03 2.72 0.00 -0.64 -4.93 105.19 103.13 2k6b n GLY 81 Ca 0.04 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.13 0.16 -3.22 1.61 6.02 -0.73 -4.87 117.38 115.23 2k6b n GLN 82 Ca -0.02 -0.06 -0.31 0.00 -0.01 0.00 0.00 57.00 56.61 2k6b n GLN 82 Cb 0.51 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.23 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 -2.88 4.04 -0.30 1.08 2.01 -1.26 -5.03 118.68 116.35 2k6b s LEU 83 Ca 0.16 0.97 -0.15 0.00 0.01 0.00 0.00 54.13 55.12 2k6b s LEU 83 Cb 0.19 -3.78 0.16 0.00 0.01 0.00 0.00 46.19 42.77 2k6b s LEU 83 CO 0.58 -0.20 0.98 -0.55 1.01 0.00 0.00 176.35 178.17 2k6b s SER 84 N -2.75 -0.59 0.04 2.29 0.15 -1.26 -5.12 113.70 106.46 2k6b s SER 84 Ca 0.48 0.82 0.00 0.00 0.70 0.00 0.00 55.95 57.95 2k6b s SER 84 Cb -0.11 1.63 0.00 0.00 -1.71 0.00 0.00 66.02 65.83 2k6b s SER 84 CO 0.25 -0.12 0.00 -0.62 1.20 0.00 0.00 173.24 173.96 2k6b n GLU 85 N 4.84 -0.30 -3.27 5.44 4.71 -1.26 -4.94 120.64 125.85 2k6b n GLU 85 Ca -0.10 0.21 -0.23 0.00 -0.01 0.00 0.00 57.16 57.03 2k6b n GLU 85 Cb 0.53 -0.37 -0.00 0.00 -1.01 0.00 0.00 31.44 30.59 2k6b n GLU 85 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2k6b s LYS 86 N -1.62 3.28 -0.17 3.49 3.01 -1.26 -4.85 119.74 121.62 2k6b s LYS 86 Ca 0.00 -0.49 -0.10 0.00 -1.01 0.00 0.00 55.97 54.37 2k6b s LYS 86 Cb 0.00 -2.65 -0.05 0.00 -1.01 0.00 0.00 37.83 34.12 2k6b s LYS 86 CO 0.00 -0.00 0.15 0.08 0.51 0.00 0.00 175.35 176.09 2k6b s VAL 87 N -2.37 5.42 0.77 3.17 1.01 0.14 -4.92 120.40 123.62 2k6b s VAL 87 Ca 0.43 0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.62 2k6b s VAL 87 Cb -0.10 -3.47 0.14 0.00 0.00 0.00 0.00 36.38 32.95 2k6b s VAL 87 CO 0.36 0.48 1.06 -0.44 0.00 0.00 0.00 175.10 176.56 2k6b s SER 88 N 0.02 4.08 0.14 3.32 0.01 -1.26 -2.59 113.70 117.42 2k6b s SER 88 Ca 0.11 -0.25 -0.18 0.00 1.31 0.00 0.00 55.95 56.94 2k6b s SER 88 Cb -0.12 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.08 2k6b s SER 88 CO 0.00 -2.05 1.74 -0.33 0.41 0.00 0.00 173.24 173.01 2k6b h GLU 89 N -0.76 0.18 -0.40 12.44 5.08 -1.93 -0.93 114.58 128.27 2k6b h GLU 89 Ca -0.38 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 2k6b h GLU 89 Cb 1.26 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 2k6b h GLU 89 CO 0.39 0.12 0.19 1.96 -1.00 0.00 0.00 179.01 180.67 2k6b h GLN 90 N 0.19 0.55 -0.48 2.33 1.08 -1.98 -0.22 115.11 116.57 2k6b h GLN 90 Ca 0.13 -0.06 -0.13 0.00 -1.45 0.00 0.00 58.65 57.14 2k6b h GLN 90 Cb 0.12 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2k6b h GLN 90 CO -0.15 0.43 -0.21 0.78 -0.95 0.00 0.00 178.83 178.73 2k6b h GLY 91 N 0.67 1.08 1.29 3.46 0.00 -1.67 0.67 103.07 108.56 2k6b h GLY 91 Ca 0.14 -0.95 -0.10 0.00 0.00 0.00 0.00 47.33 46.42 2k6b h GLY 91 CO -0.02 0.87 -0.13 -2.00 0.00 0.00 0.00 176.54 175.25 2k6b h LEU 92 N 0.85 0.83 -1.05 3.11 5.85 -0.53 -2.35 115.31 122.03 2k6b h LEU 92 Ca 0.11 -0.27 -0.09 0.00 0.84 0.00 0.00 57.88 58.48 2k6b h LEU 92 Cb 0.79 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2k6b h LEU 92 CO 0.07 0.97 -0.28 0.40 -0.34 0.00 0.00 178.44 179.26 2k6b h ILE 93 N 0.75 1.26 -0.66 4.05 2.04 -0.78 0.23 117.51 124.41 2k6b h ILE 93 Ca 0.12 -1.25 -0.03 0.00 1.00 0.00 0.00 64.86 64.70 2k6b h ILE 93 Cb 0.64 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 2k6b h ILE 93 CO 0.04 0.38 0.29 -0.08 0.00 0.00 0.00 178.15 178.79 2k6b h GLU 94 N 0.30 0.97 -0.34 2.37 4.22 -0.44 0.21 114.58 121.88 2k6b h GLU 94 Ca 0.04 -0.16 -0.11 0.00 0.08 0.00 0.00 59.36 59.21 2k6b h GLU 94 Cb 0.65 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2k6b h GLU 94 CO 0.05 0.79 -0.23 0.82 -2.18 0.00 0.00 179.01 178.26 2k6b h ILE 95 N 0.92 1.29 -0.92 2.32 2.04 -0.99 -3.08 117.51 119.09 2k6b h ILE 95 Ca 0.22 -1.38 0.10 0.00 1.00 0.00 0.00 64.86 64.81 2k6b h ILE 95 Cb 0.17 1.43 -0.07 0.00 -0.74 0.00 0.00 36.82 37.61 2k6b h ILE 95 CO -0.02 0.45 0.59 0.25 0.00 0.00 0.00 178.15 179.42 2k6b h LEU 96 N 0.53 0.83 0.35 1.44 5.85 0.07 -0.33 115.31 124.07 2k6b h LEU 96 Ca 0.07 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2k6b h LEU 96 Cb 0.79 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.68 2k6b h LEU 96 CO 0.06 0.48 -0.19 0.11 -0.34 0.00 0.00 178.44 178.56 2k6b h LYS 97 N 0.91 -0.49 0.00 1.25 1.79 -0.89 -2.39 116.57 116.76 2k6b h LYS 97 Ca 0.44 0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.84 2k6b h LYS 97 Cb 0.44 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 2k6b h LYS 97 CO -0.20 -0.32 -0.48 1.57 -1.08 0.00 0.00 179.45 178.94 2k6b h LYS 98 N -0.50 0.00 0.00 3.15 2.10 -1.23 -2.28 116.57 117.80 2k6b h LYS 98 Ca -0.04 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.58 2k6b h LYS 98 Cb 0.40 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.73 2k6b h LYS 98 CO 0.06 0.48 -0.12 -0.39 -2.00 0.00 0.00 179.45 177.47 2k6b h VAL 99 N 0.00 0.24 0.00 0.07 -1.51 -1.03 0.10 116.25 114.13 2k6b h VAL 99 Ca -0.00 -1.12 -0.07 0.00 -1.23 0.00 0.00 66.70 64.28 2k6b h VAL 99 Cb 0.85 1.93 -0.01 0.00 -2.13 0.00 0.00 31.29 31.93 2k6b h VAL 99 CO 0.06 0.12 -0.33 0.28 -1.23 0.00 0.00 177.57 176.48 2k6b h SER 100 N 0.00 0.00 0.00 4.19 0.02 -0.88 -3.34 113.55 113.54 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 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2k6b h SER 100 CO 0.02 0.33 -0.01 1.56 -1.14 0.00 0.00 176.83 177.59 2k6b h GLN 101 N 0.00 0.00 0.00 3.45 4.20 -1.04 -3.49 115.11 118.23 2k6b h GLN 101 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k6b h GLN 101 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 2k6b h GLN 101 CO 0.04 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.24 2k6b n GLN 102 N -3.05 0.00 0.16 1.46 1.13 0.29 -5.07 117.38 112.30 2k6b n GLN 102 Ca -0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2k6b n GLN 102 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 2k6b n GLN 102 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 2k6b n THR 103 N -1.69 0.00 -4.23 5.09 -1.04 -0.79 -4.65 114.28 106.97 2k6b n THR 103 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.81 2k6b n THR 103 Cb 0.00 -0.03 -0.16 0.00 -1.82 0.00 0.00 70.33 68.32 2k6b n THR 103 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2k6b s GLU 104 N -2.00 0.91 -0.03 -2.82 1.03 -1.25 -3.09 118.70 111.46 2k6b s GLU 104 Ca 0.00 -0.15 -0.01 0.00 0.03 0.00 0.00 54.97 54.84 2k6b s GLU 104 Cb 0.00 -0.88 0.03 0.00 -0.80 0.00 0.00 34.13 32.48 2k6b s GLU 104 CO 0.00 -0.05 0.06 0.15 -1.33 0.00 0.00 175.26 174.09 2k6b s LYS 105 N 0.81 0.01 -0.60 -4.83 -0.14 -1.26 -5.03 119.74 108.71 2k6b s LYS 105 Ca -0.12 0.20 0.04 0.00 -1.36 0.00 0.00 55.97 54.74 2k6b s LYS 105 Cb -0.14 -0.17 0.15 0.00 -1.68 0.00 0.00 37.83 35.99 2k6b s LYS 105 CO 0.01 -0.13 0.36 -0.08 -0.76 0.00 0.00 175.35 174.75 2k6b s THR 106 N 0.84 2.67 -0.20 2.17 -1.32 -1.26 -4.91 115.64 113.64 2k6b s THR 106 Ca -0.07 -3.72 -0.09 0.00 -1.21 0.00 0.00 61.69 56.61 2k6b s THR 106 Cb -0.10 -2.81 -0.05 0.00 -1.51 0.00 0.00 72.50 68.04 2k6b s THR 106 CO -0.03 -0.90 0.10 0.28 -2.21 0.00 0.00 174.62 171.86 2k6b s THR 107 N -0.78 5.09 -0.01 5.08 -1.32 -1.26 -5.07 115.64 117.37 2k6b s THR 107 Ca 0.21 0.08 -0.05 0.00 -1.21 0.00 0.00 61.69 60.72 2k6b s THR 107 Cb -0.16 -3.32 0.00 0.00 -1.51 0.00 0.00 72.50 67.51 2k6b s THR 107 CO -0.07 0.44 0.09 -0.89 -2.21 0.00 0.00 174.62 171.98 2k6b s THR 108 N 0.46 0.06 -0.21 5.08 2.01 -1.26 -4.98 115.64 116.81 2k6b s THR 108 Ca 0.06 -0.50 -0.02 0.00 0.31 0.00 0.00 61.69 61.54 2k6b s THR 108 Cb -0.12 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.09 2k6b s THR 108 CO -0.00 -0.27 0.07 0.52 -0.69 0.00 0.00 174.62 174.24 2k6b n VAL 109 N 2.03 -8.20 0.13 3.82 0.31 -1.25 -5.01 118.33 110.16 2k6b n VAL 109 Ca -0.19 1.05 0.00 0.00 -0.01 0.00 0.00 64.34 65.19 2k6b n VAL 109 Cb 0.57 -5.89 0.00 0.00 -0.91 0.00 0.00 33.84 27.61 2k6b n VAL 109 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2k6b n LYS 110 N 0.29 0.00 0.10 5.55 4.81 -1.26 -4.92 118.16 122.73 2k6b n LYS 110 Ca 0.01 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.48 2k6b n LYS 110 Cb 0.05 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.09 2k6b n LYS 110 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 2k6b h PHE 111 N 0.00 0.00 0.00 5.64 0.04 -1.98 -3.56 116.94 117.08 2k6b h PHE 111 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2k6b h PHE 111 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2k6b h PHE 111 CO 0.00 0.49 0.00 0.27 -0.60 0.00 0.00 178.31 178.47