#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 6.55 0.15 1.61 0.01 -1.26 -4.88 113.70 115.88 2k6b s SER 1 Ca 0.00 -1.72 -0.21 0.00 1.31 0.00 0.00 55.95 55.33 2k6b s SER 1 Cb 0.00 -2.47 0.04 0.00 0.21 0.00 0.00 66.02 63.80 2k6b s SER 1 CO 0.00 -1.28 1.65 0.00 0.41 0.00 0.00 173.24 174.02 2k6b h ALA 2 N 9.28 0.01 -0.66 1.44 0.00 -2.05 -0.34 119.26 126.94 2k6b h ALA 2 Ca 0.14 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2k6b h ALA 2 Cb 1.02 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 2k6b h ALA 2 CO 1.24 -0.59 0.16 -0.44 0.00 0.00 0.00 179.25 179.63 2k6b h ASP 3 N -0.16 0.98 -0.17 0.00 3.32 -1.98 0.09 116.42 118.50 2k6b h ASP 3 Ca 0.14 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 2k6b h ASP 3 Cb 0.38 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2k6b h ASP 3 CO -0.36 0.95 -0.03 -0.08 -1.72 0.00 0.00 179.24 178.00 2k6b h GLU 4 N 0.99 0.32 -0.29 3.56 4.81 -1.84 0.20 114.58 122.34 2k6b h GLU 4 Ca 0.21 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 2k6b h GLU 4 Cb 0.35 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 2k6b h GLU 4 CO 0.00 0.57 -0.17 0.93 -0.73 0.00 0.00 179.01 179.61 2k6b h GLU 5 N 0.04 0.52 -0.29 1.92 5.08 -0.88 -0.07 114.58 120.89 2k6b h GLU 5 Ca 0.04 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 2k6b h GLU 5 Cb 0.45 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2k6b h GLU 5 CO 0.01 0.67 -0.19 1.25 -1.00 0.00 0.00 179.01 179.76 2k6b h LEU 6 N 0.47 0.67 -0.85 1.33 7.12 -0.84 -2.45 115.31 120.76 2k6b h LEU 6 Ca 0.08 -0.43 -0.03 0.00 0.13 0.00 0.00 57.88 57.63 2k6b h LEU 6 Cb 0.57 -0.19 -0.04 0.00 -0.53 0.00 0.00 40.66 40.48 2k6b h LEU 6 CO 0.04 0.95 0.43 -0.08 -0.13 0.00 0.00 178.44 179.65 2k6b h GLU 7 N 0.39 1.21 -0.44 1.25 4.81 -0.13 0.29 114.58 121.95 2k6b h GLU 7 Ca 0.06 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2k6b h GLU 7 Cb 0.72 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 2k6b h GLU 7 CO 0.05 0.91 0.25 0.00 -0.73 0.00 0.00 179.01 179.50 2k6b h ALA 8 N 1.23 0.56 -0.27 2.92 0.00 -0.93 0.35 119.26 123.12 2k6b h ALA 8 Ca 0.29 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2k6b h ALA 8 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2k6b h ALA 8 CO -0.04 -0.07 0.01 1.25 0.00 0.00 0.00 179.25 180.40 2k6b h LEU 9 N 0.51 0.46 -0.26 0.00 6.46 -0.94 -2.29 115.31 119.27 2k6b h LEU 9 Ca 0.18 -0.30 0.01 0.00 -0.12 0.00 0.00 57.88 57.65 2k6b h LEU 9 Cb 0.02 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.81 2k6b h LEU 9 CO -0.09 0.65 0.15 -0.09 -0.62 0.00 0.00 178.44 178.43 2k6b h ARG 10 N 0.27 0.30 -0.90 1.25 2.43 0.06 0.25 114.38 118.02 2k6b h ARG 10 Ca 0.08 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.29 2k6b h ARG 10 Cb 0.40 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.82 2k6b h ARG 10 CO 0.01 0.20 0.57 0.00 -1.51 0.00 0.00 179.97 179.24 2k6b h ARG 11 N 0.30 1.02 -0.14 0.20 3.08 -0.26 0.34 114.38 118.92 2k6b h ARG 11 Ca 0.10 -0.06 -0.20 0.00 0.07 0.00 0.00 59.98 59.89 2k6b h ARG 11 Cb -0.00 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.82 2k6b h ARG 11 CO -0.05 0.67 -0.71 0.37 -1.07 0.00 0.00 179.97 179.18 2k6b h GLN 12 N 1.05 0.64 -0.22 0.04 4.15 -0.82 -2.30 115.11 117.65 2k6b h GLN 12 Ca 0.39 -0.50 -0.15 0.00 0.77 0.00 0.00 58.65 59.16 2k6b h GLN 12 Cb 0.14 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 2k6b h GLN 12 CO -0.16 1.12 -0.47 -0.09 -1.93 0.00 0.00 178.83 177.29 2k6b h ARG 13 N 0.45 0.58 -0.11 1.69 9.65 0.12 -2.78 114.38 123.99 2k6b h ARG 13 Ca -0.03 -0.33 -0.03 0.00 -1.10 0.00 0.00 59.98 58.49 2k6b h ARG 13 Cb 1.31 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.91 2k6b h ARG 13 CO 0.14 0.93 -0.08 -0.07 2.80 0.00 0.00 179.97 183.69 2k6b h LEU 14 N 0.46 0.15 -2.02 3.80 3.38 -0.21 -1.84 115.31 119.03 2k6b h LEU 14 Ca 0.03 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2k6b h LEU 14 Cb 1.00 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2k6b h LEU 14 CO 0.09 0.25 -0.09 0.00 0.09 0.00 0.00 178.44 178.78 2k6b h ALA 15 N 1.77 1.45 0.00 1.53 0.00 -1.12 0.43 119.26 123.33 2k6b h ALA 15 Ca 0.04 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2k6b h ALA 15 Cb 0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2k6b h ALA 15 CO 0.01 0.12 -0.60 0.93 0.00 0.00 0.00 179.25 179.71 2k6b h GLU 16 N 0.00 0.00 0.00 0.00 4.39 -1.38 -3.35 114.58 114.23 2k6b h GLU 16 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k6b h GLU 16 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2k6b h GLU 16 CO 0.01 0.49 -0.13 1.25 -1.16 0.00 0.00 179.01 179.47 2k6b h LEU 17 N 0.00 0.00 0.00 1.33 7.12 -1.02 -3.48 115.31 119.26 2k6b h LEU 17 Ca -0.02 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.99 2k6b h LEU 17 Cb 1.41 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.54 2k6b h LEU 17 CO 0.06 0.53 0.00 0.00 -0.13 0.00 0.00 178.44 178.91 2k6b n GLN 18 N -4.56 0.00 0.00 1.25 6.02 0.00 -5.12 117.38 114.97 2k6b n GLN 18 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2k6b n GLN 18 Cb 0.07 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.33 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 0.00 0.00 -2.67 -1.58 0.00 0.13 -4.73 120.51 111.66 2k6b n ALA 19 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2k6b n ALA 19 Cb 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 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 0.00 4.09 -1.05 0.00 -2.85 -1.26 -4.92 119.74 113.75 2k6b s LYS 20 Ca 0.00 0.24 -0.09 0.00 -1.00 0.00 0.00 55.97 55.12 2k6b s LYS 20 Cb 0.00 -3.34 0.26 0.00 -2.06 0.00 0.00 37.83 32.69 2k6b s LYS 20 CO 0.00 0.41 1.02 -1.01 0.10 0.00 0.00 175.35 175.88 2k6b s HIS 21 N -0.12 4.16 -0.60 1.78 3.76 -1.26 -4.79 115.29 118.22 2k6b s HIS 21 Ca 0.20 -2.63 0.00 0.00 -0.15 0.00 0.00 55.06 52.49 2k6b s HIS 21 Cb -0.14 -3.77 0.44 0.00 1.11 0.00 0.00 32.58 30.21 2k6b s HIS 21 CO 0.08 -0.94 1.82 0.41 -0.85 0.00 0.00 174.74 175.26 2k6b n GLY 22 N 2.85 5.95 3.50 -2.22 0.00 -1.26 -4.97 105.19 109.04 2k6b n GLY 22 Ca 0.22 -2.43 -0.25 0.00 0.00 0.00 0.00 46.02 43.56 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 -2.18 3.80 0.00 1.61 -4.77 -1.26 -5.03 116.67 108.84 2k6b s ASP 23 Ca 0.60 -0.86 0.27 0.00 -3.30 0.00 0.00 52.55 49.26 2k6b s ASP 23 Cb 0.48 -0.44 1.41 0.00 -1.09 0.00 0.00 42.92 43.27 2k6b s ASP 23 CO -0.06 0.06 1.93 -2.65 0.70 0.00 0.00 175.17 175.15 2k6b n PRO 24 N -0.33 1.25 -2.29 2.11 -0.02 -1.26 -4.54 135.00 129.92 2k6b n PRO 24 Ca -0.08 -0.36 -0.43 0.00 -2.02 0.00 0.00 63.50 60.61 2k6b n PRO 24 Cb 0.58 -1.44 -0.02 0.00 -0.02 0.00 0.00 33.50 32.60 2k6b n PRO 24 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2k6b s GLY 25 N -1.87 1.07 0.00 -1.23 0.00 -1.26 -3.21 107.32 100.81 2k6b s GLY 25 Ca 0.40 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 45.05 2k6b s GLY 25 CO 0.32 2.84 0.00 1.34 0.00 0.00 0.00 173.10 177.60 2k6b n ASP 26 N 8.98 0.00 0.25 1.64 2.03 -1.26 -4.54 116.55 123.65 2k6b n ASP 26 Ca 0.17 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.66 2k6b n ASP 26 Cb 0.48 0.00 0.90 0.00 -0.72 0.00 0.00 41.12 41.78 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 0.00 1.58 0.00 -1.67 0.00 -1.80 -0.10 119.26 117.27 2k6b h ALA 27 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2k6b h ALA 27 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2k6b h ALA 27 CO 0.00 -0.22 -0.25 0.00 0.00 0.00 0.00 179.25 178.78 2k6b h ALA 28 N 1.77 1.34 -0.01 0.00 0.00 -1.78 -1.91 119.26 118.68 2k6b h ALA 28 Ca 0.05 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 2k6b h ALA 28 Cb 0.38 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2k6b h ALA 28 CO -0.00 0.31 -0.78 -0.56 0.00 0.00 0.00 179.25 178.22 2k6b h GLN 29 N 0.00 0.09 -0.58 0.00 3.07 -1.29 -2.14 115.11 114.26 2k6b h GLN 29 Ca -0.00 -0.09 -0.11 0.00 0.09 0.00 0.00 58.65 58.54 2k6b h GLN 29 Cb 0.52 0.02 -0.02 0.00 0.08 0.00 0.00 27.48 28.09 2k6b h GLN 29 CO 0.03 0.83 -0.05 0.37 0.09 0.00 0.00 178.83 180.10 2k6b h GLN 30 N 0.06 1.06 0.32 0.06 -0.00 -1.46 0.49 115.11 115.64 2k6b h GLN 30 Ca -0.02 -0.37 -0.00 0.00 -0.00 0.00 0.00 58.65 58.26 2k6b h GLN 30 Cb 1.37 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 28.76 2k6b h GLN 30 CO 0.11 1.07 -0.27 0.93 0.00 0.00 0.00 178.83 180.67 2k6b h GLU 31 N 0.96 -0.58 -0.59 1.69 4.39 -1.20 0.32 114.58 119.57 2k6b h GLU 31 Ca 0.16 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.90 2k6b h GLU 31 Cb 0.62 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 2k6b h GLU 31 CO 0.04 -0.39 0.39 0.00 -1.16 0.00 0.00 179.01 177.89 2k6b h ALA 32 N -0.01 0.75 -0.29 3.43 0.00 -1.16 -0.61 119.26 121.37 2k6b h ALA 32 Ca -0.02 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2k6b h ALA 32 Cb 0.53 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2k6b h ALA 32 CO -0.02 0.19 -0.27 -0.22 0.00 0.00 0.00 179.25 178.93 2k6b h LYS 33 N 0.80 0.57 -0.30 0.00 1.63 -0.75 -2.53 116.57 115.99 2k6b h LYS 33 Ca 0.22 -0.23 -0.09 0.00 -0.85 0.00 0.00 60.65 59.69 2k6b h LYS 33 Cb -0.08 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 2k6b h LYS 33 CO -0.05 0.79 -0.20 1.25 -3.45 0.00 0.00 179.45 177.80 2k6b h HIS 34 N 0.50 0.61 -0.42 1.91 2.76 0.54 0.12 115.15 121.18 2k6b h HIS 34 Ca 0.07 -0.12 -0.11 0.00 -2.20 0.00 0.00 60.37 58.01 2k6b h HIS 34 Cb 0.72 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.51 2k6b h HIS 34 CO 0.03 0.71 -0.18 0.00 -1.30 0.00 0.00 177.93 177.19 2k6b h ARG 35 N 0.50 0.80 0.28 5.26 3.08 -0.87 0.19 114.38 123.62 2k6b h ARG 35 Ca 0.08 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 2k6b h ARG 35 Cb 0.62 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2k6b h ARG 35 CO 0.04 0.92 -0.14 0.93 -1.07 0.00 0.00 179.97 180.66 2k6b h GLU 36 N 0.71 -0.37 -0.34 0.04 4.39 -1.02 -3.07 114.58 114.93 2k6b h GLU 36 Ca 0.10 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 2k6b h GLU 36 Cb 0.69 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 2k6b h GLU 36 CO 0.05 -0.05 0.18 0.00 -1.16 0.00 0.00 179.01 178.03 2k6b h ALA 37 N -0.15 1.68 -0.08 3.43 0.00 -0.69 0.50 119.26 123.95 2k6b h ALA 37 Ca -0.04 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2k6b h ALA 37 Cb 0.49 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2k6b h ALA 37 CO 0.06 0.27 0.01 1.49 0.00 0.00 0.00 179.25 181.09 2k6b h GLU 38 N 0.46 0.05 0.00 0.00 4.57 -0.62 -2.32 114.58 116.72 2k6b h GLU 38 Ca 0.12 -0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.20 2k6b h GLU 38 Cb 0.02 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 2k6b h GLU 38 CO -0.02 0.03 -0.57 1.98 -1.18 0.00 0.00 179.01 179.25 2k6b h MET 39 N 0.05 0.00 0.14 1.92 4.05 -1.33 -3.33 114.93 116.42 2k6b h MET 39 Ca 0.04 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 2k6b h MET 39 Cb 0.03 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 2k6b h MET 39 CO -0.05 0.93 -0.07 -0.09 0.23 0.00 0.00 176.91 177.87 2k6b h ARG 40 N -1.00 -0.18 -0.41 0.39 2.43 -0.08 -0.84 114.38 114.69 2k6b h ARG 40 Ca -0.16 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.98 2k6b h ARG 40 Cb 1.09 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 2k6b h ARG 40 CO -0.09 -0.03 0.04 -0.91 -1.51 0.00 0.00 179.97 177.47 2k6b h ASN 41 N -0.29 0.59 0.01 -3.80 4.21 -1.57 -1.58 115.58 113.14 2k6b h ASN 41 Ca -0.02 -0.11 -0.00 0.00 1.21 0.00 0.00 56.30 57.38 2k6b h ASN 41 Cb 0.23 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.28 2k6b h ASN 41 CO 0.03 0.64 -0.00 0.28 -1.29 0.00 0.00 177.43 177.09 2k6b h SER 42 N 0.61 -0.01 -0.68 5.81 0.02 -1.61 -2.56 113.55 115.13 2k6b h SER 42 Ca 0.13 -0.57 -0.04 0.00 -0.84 0.00 0.00 61.79 60.47 2k6b h SER 42 Cb 0.33 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 2k6b h SER 42 CO 0.01 0.57 0.28 0.16 -1.14 0.00 0.00 176.83 176.72 2k6b h ILE 43 N -0.59 1.24 -0.69 3.27 3.07 -0.99 -1.92 117.51 120.90 2k6b h ILE 43 Ca -0.00 -0.75 -0.05 0.00 1.55 0.00 0.00 64.86 65.61 2k6b h ILE 43 Cb 0.58 0.39 -0.03 0.00 -0.27 0.00 0.00 36.82 37.49 2k6b h ILE 43 CO 0.00 0.30 0.24 -0.07 -1.05 0.00 0.00 178.15 177.57 2k6b h LEU 44 N 1.02 0.97 -1.19 0.16 3.38 -1.34 -0.10 115.31 118.20 2k6b h LEU 44 Ca 0.24 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2k6b h LEU 44 Cb 0.19 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2k6b h LEU 44 CO -0.02 0.89 0.00 0.00 0.09 0.00 0.00 178.44 179.40 2k6b h ALA 45 N 1.24 1.00 0.03 1.53 0.00 -0.94 -0.54 119.26 121.58 2k6b h ALA 45 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.79 2k6b h ALA 45 Cb 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2k6b h ALA 45 CO -0.01 0.00 -2.13 1.04 0.00 0.00 0.00 179.25 178.15 2k6b n GLN 46 N -2.89 0.68 0.00 0.00 1.13 -0.65 -4.40 117.38 111.25 2k6b n GLN 46 Ca 0.01 0.17 0.11 0.00 -1.94 0.00 0.00 57.00 55.35 2k6b n GLN 46 Cb 0.30 -1.64 0.01 0.00 0.11 0.00 0.00 30.24 29.02 2k6b n GLN 46 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2k6b n VAL 47 N -3.10 0.01 -4.67 5.09 0.24 -0.14 -3.98 118.33 111.78 2k6b n VAL 47 Ca -0.31 -0.03 -0.33 0.00 -2.04 0.00 0.00 64.34 61.63 2k6b n VAL 47 Cb 1.07 0.67 -0.14 0.00 -1.47 0.00 0.00 33.84 33.97 2k6b n VAL 47 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2k6b s LEU 48 N -3.11 2.87 0.61 1.34 1.43 -0.22 0.22 118.68 121.82 2k6b s LEU 48 Ca 0.08 -0.27 -0.15 0.00 -1.03 0.00 0.00 54.13 52.76 2k6b s LEU 48 Cb 0.16 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 2k6b s LEU 48 CO 0.81 0.17 1.06 -0.62 0.23 0.00 0.00 176.35 178.00 2k6b s ASP 49 N 0.35 5.71 0.49 2.29 2.15 0.39 -4.68 116.67 123.37 2k6b s ASP 49 Ca -0.09 1.80 0.22 0.00 0.43 0.00 0.00 52.55 54.91 2k6b s ASP 49 Cb -0.15 -2.53 1.28 0.00 -0.30 0.00 0.00 42.92 41.21 2k6b s ASP 49 CO 0.05 -1.22 1.95 -0.61 -0.17 0.00 0.00 175.17 175.17 2k6b h GLN 50 N 0.27 0.15 -0.27 4.34 4.15 -1.93 -0.61 115.11 121.22 2k6b h GLN 50 Ca -0.46 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 58.92 2k6b h GLN 50 Cb 1.22 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 2k6b h GLN 50 CO 0.57 0.10 0.07 0.66 -1.93 0.00 0.00 178.83 178.30 2k6b h SER 51 N 0.16 0.41 -0.24 -0.69 4.64 -1.91 -0.69 113.55 115.22 2k6b h SER 51 Ca 0.32 -0.23 -0.07 0.00 -0.47 0.00 0.00 61.79 61.33 2k6b h SER 51 Cb 1.03 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 2k6b h SER 51 CO -0.05 0.53 -0.08 0.00 -0.87 0.00 0.00 176.83 176.37 2k6b h ALA 52 N 0.89 1.19 -0.05 5.18 0.00 -1.35 0.13 119.26 125.25 2k6b h ALA 52 Ca 0.08 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 2k6b h ALA 52 Cb 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2k6b h ALA 52 CO 0.00 0.52 -0.46 0.00 0.00 0.00 0.00 179.25 179.32 2k6b h ARG 53 N 0.57 0.11 -0.15 0.00 3.08 -1.00 0.33 114.38 117.33 2k6b h ARG 53 Ca 0.11 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 2k6b h ARG 53 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 2k6b h ARG 53 CO 0.03 0.55 -0.18 0.00 -1.07 0.00 0.00 179.97 179.30 2k6b h ALA 54 N 1.44 0.23 -0.64 0.04 0.00 -0.25 -1.90 119.26 118.17 2k6b h ALA 54 Ca 0.00 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.62 2k6b h ALA 54 Cb 0.85 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 2k6b h ALA 54 CO 0.06 0.15 0.35 -0.09 0.00 0.00 0.00 179.25 179.72 2k6b h ARG 55 N 0.02 0.63 -0.80 0.00 9.65 -0.44 -1.40 114.38 122.04 2k6b h ARG 55 Ca 0.02 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 58.90 2k6b h ARG 55 Cb 0.73 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 29.12 2k6b h ARG 55 CO 0.04 0.42 0.51 1.25 2.80 0.00 0.00 179.97 184.99 2k6b h LEU 56 N 0.65 0.84 -0.50 3.80 5.85 -0.28 0.14 115.31 125.81 2k6b h LEU 56 Ca 0.29 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.92 2k6b h LEU 56 Cb 0.18 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2k6b h LEU 56 CO -0.18 0.58 -0.03 -1.28 -0.34 0.00 0.00 178.44 177.19 2k6b h SER 57 N 0.99 0.89 0.34 1.25 0.87 -0.67 -2.03 113.55 115.19 2k6b h SER 57 Ca 0.32 -0.32 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 2k6b h SER 57 Cb 0.02 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 2k6b h SER 57 CO -0.12 0.99 -0.27 0.78 -0.53 0.00 0.00 176.83 177.69 2k6b h ASN 58 N 0.76 0.00 0.20 6.23 2.35 -0.61 -2.47 115.58 122.05 2k6b h ASN 58 Ca 0.14 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.73 2k6b h ASN 58 Cb 0.56 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 2k6b h ASN 58 CO 0.03 0.27 -0.60 0.25 -1.65 0.00 0.00 177.43 175.73 2k6b h LEU 59 N 0.00 0.45 -2.15 1.61 7.12 -0.52 -2.88 115.31 118.93 2k6b h LEU 59 Ca -0.00 -0.26 0.04 0.00 0.13 0.00 0.00 57.88 57.79 2k6b h LEU 59 Cb 0.52 -0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 40.51 2k6b h LEU 59 CO 0.04 0.95 0.10 0.00 -0.13 0.00 0.00 178.44 179.39 2k6b h ALA 60 N 1.06 1.93 0.00 1.25 0.00 -0.88 -0.38 119.26 122.24 2k6b h ALA 60 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k6b h ALA 60 Cb 1.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2k6b h ALA 60 CO 0.10 -0.16 0.00 -0.07 0.00 0.00 0.00 179.25 179.12 2k6b h LEU 61 N 0.00 0.00 0.00 0.00 4.07 -1.57 -3.32 115.31 114.49 2k6b h LEU 61 Ca 0.06 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.75 2k6b h LEU 61 Cb 0.26 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.96 2k6b h LEU 61 CO -0.00 0.00 -1.85 1.33 -1.08 0.00 0.00 178.44 176.84 2k6b n VAL 62 N -2.55 1.42 -3.33 1.22 0.24 -0.19 -4.97 118.33 110.18 2k6b n VAL 62 Ca 0.03 -0.16 -0.11 0.00 -2.04 0.00 0.00 64.34 62.07 2k6b n VAL 62 Cb 0.35 -2.01 -0.07 0.00 -1.47 0.00 0.00 33.84 30.65 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 -2.60 0.39 0.62 7.34 1.02 -0.99 -5.01 119.74 120.50 2k6b s LYS 63 Ca -0.32 0.14 0.36 0.00 0.02 0.00 0.00 55.97 56.18 2k6b s LYS 63 Cb 0.10 -0.40 2.05 0.00 -0.52 0.00 0.00 37.83 39.05 2k6b s LYS 63 CO 0.42 -0.97 2.29 -1.35 -0.92 0.00 0.00 175.35 174.82 2k6b h PRO 64 N 8.18 0.00 -0.24 -1.68 0.11 -1.77 -1.48 132.00 135.12 2k6b h PRO 64 Ca -0.11 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.91 2k6b h PRO 64 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2k6b h PRO 64 CO 0.28 0.01 -0.23 0.93 -0.21 0.00 0.00 178.00 178.78 2k6b h GLU 65 N 0.00 0.44 0.01 1.05 3.07 -1.94 -1.21 114.58 116.01 2k6b h GLU 65 Ca -0.00 -0.16 -0.22 0.00 -0.50 0.00 0.00 59.36 58.49 2k6b h GLU 65 Cb 0.05 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.90 2k6b h GLU 65 CO 0.00 0.65 -1.02 0.87 -1.40 0.00 0.00 179.01 178.11 2k6b h LYS 66 N 0.40 0.02 0.12 2.33 1.79 -1.65 -2.94 116.57 116.63 2k6b h LYS 66 Ca 0.06 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2k6b h LYS 66 Cb 0.62 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2k6b h LYS 66 CO 0.04 1.02 -0.06 1.15 -1.08 0.00 0.00 179.45 180.52 2k6b h THR 67 N 0.01 0.88 -0.06 -0.16 2.02 -1.29 0.50 112.91 114.81 2k6b h THR 67 Ca -0.02 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 2k6b h THR 67 Cb 1.79 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 69.07 2k6b h THR 67 CO 0.14 0.00 -0.21 0.07 0.37 0.00 0.00 175.52 175.89 2k6b h LYS 68 N -0.16 0.10 -0.24 6.66 2.10 -1.32 0.50 116.57 124.21 2k6b h LYS 68 Ca -0.02 -0.02 -0.11 0.00 -2.00 0.00 0.00 60.65 58.50 2k6b h LYS 68 Cb 0.12 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.44 2k6b h LYS 68 CO 0.03 0.31 -0.28 0.00 -2.00 0.00 0.00 179.45 177.51 2k6b h ALA 69 N 1.70 0.36 -0.35 0.07 0.00 -1.25 -0.79 119.26 119.00 2k6b h ALA 69 Ca 0.02 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.37 2k6b h ALA 69 Cb 0.43 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2k6b h ALA 69 CO 0.03 0.36 -0.40 -0.39 0.00 0.00 0.00 179.25 178.85 2k6b h VAL 70 N 0.31 1.28 -0.55 0.00 -1.51 -0.50 -1.38 116.25 113.90 2k6b h VAL 70 Ca 0.03 -1.57 0.05 0.00 -1.23 0.00 0.00 66.70 63.98 2k6b h VAL 70 Cb 0.84 1.47 -0.05 0.00 -2.13 0.00 0.00 31.29 31.42 2k6b h VAL 70 CO 0.07 0.52 0.28 -0.33 -1.23 0.00 0.00 177.57 176.87 2k6b h GLU 71 N 0.69 0.51 -0.85 5.19 5.08 -0.91 -0.55 114.58 123.74 2k6b h GLU 71 Ca 0.05 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2k6b h GLU 71 Cb 0.99 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.08 2k6b h GLU 71 CO 0.10 0.34 0.55 -0.97 -1.00 0.00 0.00 179.01 178.02 2k6b h ASN 72 N 0.53 0.91 -0.40 1.42 -0.73 -1.01 -1.06 115.58 115.23 2k6b h ASN 72 Ca 0.25 -0.01 -0.05 0.00 1.87 0.00 0.00 56.30 58.36 2k6b h ASN 72 Cb 0.17 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.54 2k6b h ASN 72 CO -0.18 0.62 0.05 0.22 -0.37 0.00 0.00 177.43 177.78 2k6b h TYR 73 N 1.06 0.72 -0.63 0.67 3.20 -0.17 -1.76 116.97 120.07 2k6b h TYR 73 Ca 0.34 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 2k6b h TYR 73 Cb 0.01 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 2k6b h TYR 73 CO -0.02 0.71 0.26 -0.07 -1.64 0.00 0.00 178.16 177.41 2k6b h LEU 74 N 0.52 0.82 -0.26 2.82 -0.00 -0.72 0.22 115.31 118.72 2k6b h LEU 74 Ca 0.12 -0.10 0.05 0.00 -0.00 0.00 0.00 57.88 57.95 2k6b h LEU 74 Cb 0.39 -0.21 -0.05 0.00 -0.00 0.00 0.00 40.66 40.78 2k6b h LEU 74 CO 0.01 0.73 -0.08 0.40 -0.00 0.00 0.00 178.44 179.50 2k6b h ILE 75 N 0.90 0.71 -0.20 1.22 2.04 -0.78 0.22 117.51 121.62 2k6b h ILE 75 Ca 0.21 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.06 2k6b h ILE 75 Cb 0.15 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2k6b h ILE 75 CO -0.02 0.00 0.07 1.56 0.00 0.00 0.00 178.15 179.76 2k6b h GLN 76 N -0.03 0.30 -0.75 2.37 4.20 -0.63 0.18 115.11 120.76 2k6b h GLN 76 Ca 0.13 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2k6b h GLN 76 Cb 0.22 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 2k6b h GLN 76 CO -0.28 0.39 0.43 1.98 -0.67 0.00 0.00 178.83 180.68 2k6b h MET 77 N 0.16 1.04 -0.07 1.46 4.05 -0.32 -0.10 114.93 121.15 2k6b h MET 77 Ca 0.07 -0.11 -0.15 0.00 -0.28 0.00 0.00 59.70 59.23 2k6b h MET 77 Cb 0.20 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 2k6b h MET 77 CO -0.00 0.76 -0.62 0.00 0.23 0.00 0.00 176.91 177.27 2k6b h ALA 78 N 1.22 0.83 -0.73 0.39 0.00 -0.43 -2.52 119.26 118.02 2k6b h ALA 78 Ca 0.27 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2k6b h ALA 78 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2k6b h ALA 78 CO -0.05 0.74 0.29 -0.09 0.00 0.00 0.00 179.25 180.14 2k6b h ARG 79 N 0.17 1.08 -0.38 0.00 9.65 0.35 -2.31 114.38 122.95 2k6b h ARG 79 Ca -0.01 -0.19 -0.11 0.00 -1.10 0.00 0.00 59.98 58.58 2k6b h ARG 79 Cb 1.13 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.52 2k6b h ARG 79 CO 0.10 0.88 -0.18 1.88 2.80 0.00 0.00 179.97 185.45 2k6b h TYR 80 N 1.06 0.91 0.00 2.20 0.05 -0.92 -3.47 116.97 116.79 2k6b h TYR 80 Ca 0.24 -0.22 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2k6b h TYR 80 Cb 0.21 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2k6b h TYR 80 CO 0.02 0.97 0.00 0.41 -1.05 0.00 0.00 178.16 178.51 2k6b n GLY 81 N -0.06 0.62 0.06 3.88 0.00 -0.87 -4.91 105.19 103.91 2k6b n GLY 81 Ca -0.02 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.20 0.15 -4.07 1.61 10.64 -1.25 -4.82 117.38 118.43 2k6b n GLN 82 Ca 0.00 0.16 -0.09 0.00 -1.83 0.00 0.00 57.00 55.24 2k6b n GLN 82 Cb 0.37 -1.69 -0.09 0.00 -0.86 0.00 0.00 30.24 27.97 2k6b n GLN 82 CO 0.00 0.00 0.00 -0.48 -1.83 0.00 0.00 177.06 174.75 2k6b s LEU 83 N -3.90 1.81 -0.00 2.61 2.34 -1.26 -5.01 118.68 115.27 2k6b s LEU 83 Ca 0.11 -1.04 0.00 0.00 0.06 0.00 0.00 54.13 53.26 2k6b s LEU 83 Cb 0.14 0.49 0.00 0.00 -0.56 0.00 0.00 46.19 46.26 2k6b s LEU 83 CO 0.54 -0.72 0.59 -1.20 -1.06 0.00 0.00 176.35 174.50 2k6b n SER 84 N -0.05 0.18 -4.96 1.48 7.64 -1.26 -4.95 113.62 111.70 2k6b n SER 84 Ca -0.09 -1.18 -0.22 0.00 1.01 0.00 0.00 58.87 58.39 2k6b n SER 84 Cb 0.63 -0.02 -0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 -0.10 3.25 -0.32 1.43 2.02 -1.26 -4.85 118.70 118.88 2k6b s GLU 85 Ca 0.00 -0.56 -0.12 0.00 0.02 0.00 0.00 54.97 54.31 2k6b s GLU 85 Cb 0.00 -2.67 -0.03 0.00 0.10 0.00 0.00 34.13 31.53 2k6b s GLU 85 CO 0.00 0.00 0.22 0.15 0.02 0.00 0.00 175.26 175.65 2k6b s LYS 86 N -4.35 3.68 0.15 1.61 3.01 -1.26 -4.19 119.74 118.40 2k6b s LYS 86 Ca 0.43 -0.51 -0.30 0.00 -1.01 0.00 0.00 55.97 54.59 2k6b s LYS 86 Cb -0.10 -3.75 -0.07 0.00 -1.01 0.00 0.00 37.83 32.91 2k6b s LYS 86 CO 0.35 -0.33 0.94 0.08 0.51 0.00 0.00 175.35 176.90 2k6b s VAL 87 N 1.74 4.39 0.29 3.17 1.01 0.13 -4.42 120.40 126.71 2k6b s VAL 87 Ca 0.06 2.05 -0.00 0.00 0.00 0.00 0.00 61.98 64.10 2k6b s VAL 87 Cb -0.17 -4.31 0.06 0.00 0.00 0.00 0.00 36.38 31.96 2k6b s VAL 87 CO 0.11 0.37 0.40 -1.20 0.00 0.00 0.00 175.10 174.78 2k6b n SER 88 N 2.40 0.53 -0.08 3.32 7.64 -1.26 -0.46 113.62 125.71 2k6b n SER 88 Ca 0.01 -1.45 -0.07 0.00 1.01 0.00 0.00 58.87 58.37 2k6b n SER 88 Cb 0.49 -0.26 -0.00 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.84 1.43 5.08 -1.90 -1.03 114.58 117.53 2k6b h GLU 89 Ca -0.13 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.27 2k6b h GLU 89 Cb 0.48 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 2k6b h GLU 89 CO 0.14 0.14 0.53 1.96 -1.00 0.00 0.00 179.01 180.78 2k6b h GLN 90 N 0.22 0.95 -0.48 2.33 1.08 -1.97 0.28 115.11 117.53 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 0.10 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 2k6b h GLN 90 CO -0.14 0.63 -0.21 0.78 -0.95 0.00 0.00 178.83 178.94 2k6b h GLY 91 N 0.98 1.07 1.43 3.46 0.00 -1.82 -2.35 103.07 105.84 2k6b h GLY 91 Ca 0.36 -0.94 -0.07 0.00 0.00 0.00 0.00 47.33 46.67 2k6b h GLY 91 CO -0.15 0.86 -0.04 -2.00 0.00 0.00 0.00 176.54 175.20 2k6b h LEU 92 N 0.85 0.67 -1.12 3.11 5.85 -0.25 -2.37 115.31 122.05 2k6b h LEU 92 Ca 0.11 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 2k6b h LEU 92 Cb 0.79 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2k6b h LEU 92 CO 0.07 0.77 0.26 0.40 -0.34 0.00 0.00 178.44 179.59 2k6b h ILE 93 N 0.65 1.21 -0.41 4.05 2.04 -0.20 0.24 117.51 125.09 2k6b h ILE 93 Ca 0.12 -0.64 -0.08 0.00 1.00 0.00 0.00 64.86 65.26 2k6b h ILE 93 Cb 0.47 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2k6b h ILE 93 CO 0.02 0.26 -0.08 -0.33 0.00 0.00 0.00 178.15 178.02 2k6b h GLU 94 N 0.87 0.71 -0.52 2.37 5.08 -0.94 0.85 114.58 123.00 2k6b h GLU 94 Ca 0.21 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 2k6b h GLU 94 Cb 0.14 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2k6b h GLU 94 CO -0.02 0.78 -0.09 0.82 -1.00 0.00 0.00 179.01 179.50 2k6b h ILE 95 N 0.65 1.26 -0.73 3.13 2.04 -0.83 -1.69 117.51 121.35 2k6b h ILE 95 Ca 0.12 -1.21 -0.03 0.00 1.00 0.00 0.00 64.86 64.74 2k6b h ILE 95 Cb 0.53 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 2k6b h ILE 95 CO 0.03 0.43 0.34 0.25 0.00 0.00 0.00 178.15 179.19 2k6b h LEU 96 N 0.85 0.97 -0.40 1.44 5.85 0.16 -1.84 115.31 122.33 2k6b h LEU 96 Ca 0.14 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2k6b h LEU 96 Cb 0.62 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2k6b h LEU 96 CO 0.04 0.84 0.14 0.11 -0.34 0.00 0.00 178.44 179.23 2k6b h LYS 97 N 1.03 0.62 0.00 1.25 1.79 -0.53 -0.58 116.57 120.15 2k6b h LYS 97 Ca 0.25 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.58 2k6b h LYS 97 Cb 0.14 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2k6b h LYS 97 CO -0.03 0.60 -0.08 1.57 -1.08 0.00 0.00 179.45 180.44 2k6b h LYS 98 N 0.51 0.00 -0.02 3.15 2.10 -1.10 -2.71 116.57 118.50 2k6b h LYS 98 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 2k6b h LYS 98 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 2k6b h LYS 98 CO -0.01 0.08 -0.30 1.33 -2.00 0.00 0.00 179.45 178.56 2k6b n VAL 99 N -3.20 0.00 -0.29 0.07 0.24 -0.71 -2.52 118.33 111.91 2k6b n VAL 99 Ca 0.01 -0.35 0.09 0.00 -2.04 0.00 0.00 64.34 62.05 2k6b n VAL 99 Cb 0.36 1.33 0.25 0.00 -1.47 0.00 0.00 33.84 34.31 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 3.26 0.38 0.00 -1.34 0.02 -0.76 -3.34 113.55 111.77 2k6b h SER 100 Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2k6b h SER 100 Cb 0.84 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2k6b h SER 100 CO 0.00 0.10 0.00 0.00 -1.14 0.00 0.00 176.83 175.79 2k6b n GLN 101 N -4.98 0.00 0.00 3.45 6.02 -1.26 -5.12 117.38 115.50 2k6b n GLN 101 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 2k6b n GLN 101 Cb 0.53 -0.28 0.00 0.00 1.02 0.00 0.00 30.24 31.51 2k6b n GLN 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k6b n GLN 102 N -2.21 0.00 0.00 -1.09 -0.00 -1.23 -4.81 117.38 108.04 2k6b n GLN 102 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2k6b n GLN 102 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 2k6b n GLN 102 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 2k6b n THR 103 N -0.29 0.00 -2.10 -0.39 -1.04 -1.05 -4.84 114.28 104.57 2k6b n THR 103 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 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 -0.62 -0.64 0.00 0.00 175.07 173.81 2k6b n GLU 104 N 0.00 4.16 0.00 -2.82 4.71 -1.26 -4.75 120.64 120.68 2k6b n GLU 104 Ca 0.00 -3.44 0.00 0.00 -0.01 0.00 0.00 57.16 53.71 2k6b n GLU 104 Cb 0.00 -2.76 0.00 0.00 -1.01 0.00 0.00 31.44 27.67 2k6b n GLU 104 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 2k6b n LYS 105 N 2.67 0.00 -3.36 3.49 2.85 -1.26 -5.00 118.16 117.55 2k6b n LYS 105 Ca 0.54 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 57.41 2k6b n LYS 105 Cb 0.29 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.59 2k6b n LYS 105 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2k6b s THR 106 N -1.04 5.16 -0.11 0.58 2.01 -1.26 -4.80 115.64 116.18 2k6b s THR 106 Ca 0.00 0.66 0.02 0.00 0.31 0.00 0.00 61.69 62.67 2k6b s THR 106 Cb 0.00 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 2k6b s THR 106 CO 0.00 0.17 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.04 2k6b s THR 107 N 1.91 2.73 0.04 -0.82 2.01 -1.26 -5.07 115.64 115.19 2k6b s THR 107 Ca 0.17 -0.78 -0.18 0.00 0.31 0.00 0.00 61.69 61.21 2k6b s THR 107 Cb -0.15 -2.11 -0.09 0.00 0.01 0.00 0.00 72.50 70.16 2k6b s THR 107 CO 0.09 0.54 1.28 0.74 -0.69 0.00 0.00 174.62 176.58 2k6b h THR 108 N 5.38 0.00 -4.36 -0.82 2.02 -1.97 -3.47 112.91 109.70 2k6b h THR 108 Ca -0.26 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 66.76 2k6b h THR 108 Cb 1.21 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.47 2k6b h THR 108 CO 0.52 0.00 -0.64 0.54 0.37 0.00 0.00 175.52 176.31 2k6b s VAL 109 N -4.43 0.13 -0.16 3.16 0.11 -1.26 -5.13 120.40 112.82 2k6b s VAL 109 Ca -0.09 -1.87 -0.12 0.00 -2.93 0.00 0.00 61.98 56.98 2k6b s VAL 109 Cb 0.02 -1.91 -0.05 0.00 -1.53 0.00 0.00 36.38 32.92 2k6b s VAL 109 CO 0.30 -0.59 0.22 -1.59 -3.33 0.00 0.00 175.10 170.12 2k6b s LYS 110 N -4.01 4.09 -0.93 1.54 -2.85 -1.26 -4.97 119.74 111.34 2k6b s LYS 110 Ca 0.20 -0.02 -0.01 0.00 -1.00 0.00 0.00 55.97 55.13 2k6b s LYS 110 Cb 0.07 -3.38 0.33 0.00 -2.06 0.00 0.00 37.83 32.80 2k6b s LYS 110 CO -0.01 0.37 1.88 1.19 0.10 0.00 0.00 175.35 178.87 2k6b n PHE 111 N 3.21 2.90 -0.93 1.78 3.72 -1.26 -5.29 117.46 121.59 2k6b n PHE 111 Ca -0.15 -2.51 0.00 0.00 -0.05 0.00 0.00 57.45 54.75 2k6b n PHE 111 Cb 0.52 -1.16 0.00 0.00 -0.94 0.00 0.00 39.48 37.91 2k6b n PHE 111 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00