#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 0.06 -0.11 1.61 0.15 -1.26 -5.05 113.70 109.09 2k6b s SER 1 Ca 0.00 -1.22 -0.08 0.00 0.70 0.00 0.00 55.95 55.35 2k6b s SER 1 Cb 0.00 0.86 -0.03 0.00 -1.71 0.00 0.00 66.02 65.15 2k6b s SER 1 CO 0.00 -1.72 -0.16 0.00 1.20 0.00 0.00 173.24 172.55 2k6b n ALA 2 N -0.54 0.41 -0.03 5.45 0.00 -1.26 -4.28 120.51 120.26 2k6b n ALA 2 Ca -0.09 -0.41 -0.17 0.00 0.00 0.00 0.00 53.44 52.77 2k6b n ALA 2 Cb 0.60 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.99 2k6b n ALA 2 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2k6b h ASP 3 N -0.77 0.86 -0.44 0.00 5.19 -1.99 -3.06 116.42 116.22 2k6b h ASP 3 Ca 0.00 -0.63 0.01 0.00 -0.62 0.00 0.00 57.03 55.80 2k6b h ASP 3 Cb 0.46 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.69 2k6b h ASP 3 CO 0.00 1.35 0.27 -0.08 -3.12 0.00 0.00 179.24 177.66 2k6b h GLU 4 N 0.43 0.53 -0.71 3.56 4.81 -1.98 -0.50 114.58 120.73 2k6b h GLU 4 Ca -0.04 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 2k6b h GLU 4 Cb 1.32 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 2k6b h GLU 4 CO 0.14 0.35 0.18 0.93 -0.73 0.00 0.00 179.01 179.89 2k6b h GLU 5 N 0.55 1.13 -0.34 1.92 4.39 -1.74 0.72 114.58 121.21 2k6b h GLU 5 Ca 0.17 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 2k6b h GLU 5 Cb -0.02 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 2k6b h GLU 5 CO -0.06 0.99 0.10 1.25 -1.16 0.00 0.00 179.01 180.13 2k6b h LEU 6 N 1.07 0.50 -0.31 1.33 5.85 -1.33 0.11 115.31 122.53 2k6b h LEU 6 Ca 0.22 -0.21 -0.20 0.00 0.84 0.00 0.00 57.88 58.54 2k6b h LEU 6 Cb 0.36 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2k6b h LEU 6 CO 0.00 0.58 -0.84 1.05 -0.34 0.00 0.00 178.44 178.89 2k6b h GLU 7 N 0.40 0.27 -0.46 1.25 -0.00 -0.91 -0.85 114.58 114.27 2k6b h GLU 7 Ca 0.11 -0.27 0.01 0.00 -0.00 0.00 0.00 59.36 59.21 2k6b h GLU 7 Cb 0.26 0.07 -0.03 0.00 -0.00 0.00 0.00 28.75 29.06 2k6b h GLU 7 CO -0.00 0.97 0.29 0.00 -0.00 0.00 0.00 179.01 180.26 2k6b h ALA 8 N 0.94 0.59 -0.54 1.06 0.00 -0.69 0.26 119.26 120.89 2k6b h ALA 8 Ca -0.05 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2k6b h ALA 8 Cb 1.45 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2k6b h ALA 8 CO 0.13 -0.00 0.35 1.25 0.00 0.00 0.00 179.25 180.98 2k6b h LEU 9 N 0.59 0.59 -0.38 0.00 5.85 -0.62 0.37 115.31 121.71 2k6b h LEU 9 Ca 0.18 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 2k6b h LEU 9 Cb -0.03 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 2k6b h LEU 9 CO -0.06 0.42 0.09 -0.09 -0.34 0.00 0.00 178.44 178.46 2k6b h ARG 10 N 0.70 0.61 -0.34 1.25 2.43 -0.55 0.28 114.38 118.76 2k6b h ARG 10 Ca 0.20 -0.15 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2k6b h ARG 10 Cb -0.05 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 2k6b h ARG 10 CO -0.06 0.65 0.13 0.00 -1.51 0.00 0.00 179.97 179.18 2k6b h ARG 11 N 0.48 0.27 -0.51 0.20 3.08 -0.14 0.35 114.38 118.10 2k6b h ARG 11 Ca 0.12 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 2k6b h ARG 11 Cb 0.31 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2k6b h ARG 11 CO 0.00 0.18 0.07 0.37 -1.07 0.00 0.00 179.97 179.53 2k6b h GLN 12 N 0.28 0.86 -0.55 0.04 4.15 -0.74 0.19 115.11 119.33 2k6b h GLN 12 Ca 0.15 -0.24 -0.06 0.00 0.77 0.00 0.00 58.65 59.27 2k6b h GLN 12 Cb 0.11 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 2k6b h GLN 12 CO -0.15 0.85 0.09 0.00 -1.93 0.00 0.00 178.83 177.69 2k6b h ARG 13 N 0.74 0.89 -0.04 1.69 -0.00 0.02 -1.83 114.38 115.85 2k6b h ARG 13 Ca 0.16 -0.21 -0.12 0.00 -0.50 0.00 0.00 59.98 59.31 2k6b h ARG 13 Cb 0.41 -0.12 -0.01 0.00 0.00 0.00 0.00 29.97 30.25 2k6b h ARG 13 CO 0.01 0.83 -0.52 1.25 0.00 0.00 0.00 179.97 181.54 2k6b h LEU 14 N 0.84 0.11 -1.12 3.04 5.85 0.09 0.58 115.31 124.70 2k6b h LEU 14 Ca 0.17 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 2k6b h LEU 14 Cb 0.38 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2k6b h LEU 14 CO 0.01 0.61 -0.38 0.00 -0.34 0.00 0.00 178.44 178.33 2k6b h ALA 15 N 1.40 1.14 0.06 1.25 0.00 -0.18 0.23 119.26 123.15 2k6b h ALA 15 Ca -0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 2k6b h ALA 15 Cb 0.94 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2k6b h ALA 15 CO 0.07 0.48 -0.69 0.93 0.00 0.00 0.00 179.25 180.04 2k6b h GLU 16 N 0.00 0.13 0.27 0.00 4.39 -0.95 -3.39 114.58 115.02 2k6b h GLU 16 Ca -0.00 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 2k6b h GLU 16 Cb 0.79 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 2k6b h GLU 16 CO 0.05 1.11 -0.13 1.25 -1.16 0.00 0.00 179.01 180.13 2k6b h LEU 17 N -0.69 -0.30 1.50 1.33 7.12 -0.68 -3.47 115.31 120.12 2k6b h LEU 17 Ca -0.15 -0.18 -0.39 0.00 0.13 0.00 0.00 57.88 57.29 2k6b h LEU 17 Cb 1.38 0.08 -0.11 0.00 -0.53 0.00 0.00 40.66 41.47 2k6b h LEU 17 CO 0.02 0.03 -0.40 0.00 -0.13 0.00 0.00 178.44 177.96 2k6b n GLN 18 N -5.12 -1.40 -3.85 1.25 6.02 0.78 -4.94 117.38 110.12 2k6b n GLN 18 Ca -0.09 1.10 -0.09 0.00 -0.01 0.00 0.00 57.00 57.90 2k6b n GLN 18 Cb 0.25 -5.49 -0.06 0.00 1.02 0.00 0.00 30.24 25.95 2k6b n GLN 18 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k6b s ALA 19 N -2.79 -0.35 -0.46 -1.58 0.00 -1.26 -5.09 121.76 110.22 2k6b s ALA 19 Ca 0.00 -0.58 0.07 0.00 0.00 0.00 0.00 51.96 51.45 2k6b s ALA 19 Cb 0.00 0.74 0.25 0.00 0.00 0.00 0.00 23.12 24.10 2k6b s ALA 19 CO 0.00 -0.64 0.58 0.36 0.00 0.00 0.00 175.76 176.06 2k6b n LYS 20 N -0.20 1.20 0.00 0.00 2.85 -1.26 -4.88 118.16 115.88 2k6b n LYS 20 Ca -0.11 -3.63 0.12 0.00 -1.05 0.00 0.00 58.31 53.64 2k6b n LYS 20 Cb 0.63 -1.52 0.07 0.00 -0.65 0.00 0.00 35.03 33.56 2k6b n LYS 20 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 2k6b n HIS 21 N 1.30 0.00 -0.16 5.58 -0.00 -1.26 -4.06 115.22 116.62 2k6b n HIS 21 Ca 0.24 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.32 2k6b n HIS 21 Cb 0.49 -0.00 0.04 0.00 -0.12 0.00 0.00 29.99 30.40 2k6b n HIS 21 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 2k6b h GLY 22 N 4.79 1.05 -5.27 1.57 0.00 -2.05 -3.40 103.07 99.76 2k6b h GLY 22 Ca 0.00 -0.86 -0.57 0.00 0.00 0.00 0.00 47.33 45.90 2k6b h GLY 22 CO 0.00 0.78 0.91 -0.35 0.00 0.00 0.00 176.54 177.88 2k6b s ASP 23 N -6.68 6.91 0.03 0.19 2.15 -1.26 -4.95 116.67 113.07 2k6b s ASP 23 Ca -0.11 1.59 -0.28 0.00 0.43 0.00 0.00 52.55 54.18 2k6b s ASP 23 Cb 0.13 -2.54 -0.17 0.00 -0.30 0.00 0.00 42.92 40.04 2k6b s ASP 23 CO 0.86 -0.81 1.35 -0.65 -0.17 0.00 0.00 175.17 175.75 2k6b h PRO 24 N 8.32 -0.64 0.00 4.34 0.11 -1.91 -3.44 132.00 138.77 2k6b h PRO 24 Ca -0.26 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2k6b h PRO 24 Cb 1.10 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2k6b h PRO 24 CO 0.98 -0.35 0.00 0.41 -0.21 0.00 0.00 178.00 178.84 2k6b n GLY 25 N -0.77 2.92 0.00 -0.55 0.00 -1.26 -0.68 105.19 104.84 2k6b n GLY 25 Ca -0.11 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 45.88 2k6b n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k6b n ASP 26 N 2.34 0.88 0.20 1.61 5.68 -1.26 -4.39 116.55 121.61 2k6b n ASP 26 Ca 0.00 -0.90 0.04 0.00 -0.50 0.00 0.00 54.79 53.43 2k6b n ASP 26 Cb 0.00 1.04 0.41 0.00 -1.14 0.00 0.00 41.12 41.43 2k6b n ASP 26 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k6b h ALA 27 N 2.63 1.34 0.47 2.12 0.00 -1.58 -0.97 119.26 123.28 2k6b h ALA 27 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2k6b h ALA 27 Cb 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2k6b h ALA 27 CO 0.00 0.41 -0.23 0.00 0.00 0.00 0.00 179.25 179.43 2k6b h ALA 28 N 1.67 -0.63 0.00 0.00 0.00 -1.10 0.34 119.26 119.53 2k6b h ALA 28 Ca -0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2k6b h ALA 28 Cb 0.62 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2k6b h ALA 28 CO 0.04 -0.84 -0.37 -0.56 0.00 0.00 0.00 179.25 177.52 2k6b h GLN 29 N -0.67 0.00 -0.48 0.00 -0.00 -1.80 -1.19 115.11 110.97 2k6b h GLN 29 Ca -0.06 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.51 2k6b h GLN 29 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.96 2k6b h GLN 29 CO 0.11 0.37 -0.01 0.37 -0.00 0.00 0.00 178.83 179.67 2k6b h GLN 30 N 0.00 0.81 -0.07 0.06 5.75 -0.93 0.18 115.11 120.90 2k6b h GLN 30 Ca -0.00 -0.22 -0.09 0.00 -0.15 0.00 0.00 58.65 58.18 2k6b h GLN 30 Cb 0.94 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.40 2k6b h GLN 30 CO 0.05 0.82 -0.32 1.49 -2.65 0.00 0.00 178.83 178.21 2k6b h GLU 31 N 0.75 0.35 -0.57 1.69 4.81 -0.47 -2.41 114.58 118.73 2k6b h GLU 31 Ca 0.14 -0.28 0.04 0.00 -0.13 0.00 0.00 59.36 59.14 2k6b h GLU 31 Cb 0.47 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 2k6b h GLU 31 CO 0.02 0.92 0.31 0.00 -0.73 0.00 0.00 179.01 179.53 2k6b h ALA 32 N 0.44 0.74 -0.71 2.92 0.00 -1.01 0.92 119.26 122.56 2k6b h ALA 32 Ca -0.02 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2k6b h ALA 32 Cb 0.97 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2k6b h ALA 32 CO 0.07 -0.00 0.31 -0.22 0.00 0.00 0.00 179.25 179.41 2k6b h LYS 33 N 0.61 1.05 -0.64 0.00 1.63 -0.69 -1.25 116.57 117.27 2k6b h LYS 33 Ca 0.25 -0.17 -0.04 0.00 -0.85 0.00 0.00 60.65 59.83 2k6b h LYS 33 Cb 0.11 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.54 2k6b h LYS 33 CO -0.15 0.84 0.24 1.25 -3.45 0.00 0.00 179.45 178.19 2k6b h HIS 34 N 1.01 0.99 -0.04 1.91 2.76 -0.84 -2.16 115.15 118.78 2k6b h HIS 34 Ca 0.24 -0.08 -0.04 0.00 -2.20 0.00 0.00 60.37 58.29 2k6b h HIS 34 Cb 0.17 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 2k6b h HIS 34 CO 0.01 0.79 -0.15 0.00 -1.30 0.00 0.00 177.93 177.27 2k6b h ARG 35 N 0.90 0.05 -0.01 5.26 3.08 -0.32 0.60 114.38 123.94 2k6b h ARG 35 Ca 0.21 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 2k6b h ARG 35 Cb 0.23 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 2k6b h ARG 35 CO -0.01 0.21 -0.00 0.93 -1.07 0.00 0.00 179.97 180.03 2k6b h GLU 36 N 0.05 0.02 0.26 0.04 4.39 -0.67 -1.90 114.58 116.77 2k6b h GLU 36 Ca 0.01 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2k6b h GLU 36 Cb 0.31 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2k6b h GLU 36 CO 0.02 0.36 -0.12 0.00 -1.16 0.00 0.00 179.01 178.10 2k6b h ALA 37 N 0.66 -0.35 -0.53 3.43 0.00 -0.89 -2.00 119.26 119.59 2k6b h ALA 37 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2k6b h ALA 37 Cb 0.35 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2k6b h ALA 37 CO 0.00 -0.64 0.21 1.05 0.00 0.00 0.00 179.25 179.87 2k6b h GLU 38 N -0.45 0.79 -0.06 0.00 4.11 -0.96 0.11 114.58 118.12 2k6b h GLU 38 Ca -0.04 -0.14 -0.00 0.00 0.07 0.00 0.00 59.36 59.25 2k6b h GLU 38 Cb 0.34 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2k6b h GLU 38 CO 0.06 0.69 0.02 1.98 0.07 0.00 0.00 179.01 181.83 2k6b h MET 39 N 0.71 0.10 -0.03 1.06 4.05 -1.34 0.53 114.93 120.00 2k6b h MET 39 Ca 0.17 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.58 2k6b h MET 39 Cb 0.20 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 30.98 2k6b h MET 39 CO -0.01 0.24 0.01 -0.09 0.23 0.00 0.00 176.91 177.29 2k6b h ARG 40 N -0.07 0.05 -0.17 0.39 2.43 -1.23 -2.59 114.38 113.18 2k6b h ARG 40 Ca 0.02 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2k6b h ARG 40 Cb 0.18 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2k6b h ARG 40 CO -0.00 0.16 0.09 -0.97 -1.51 0.00 0.00 179.97 177.74 2k6b h ASN 41 N -0.08 0.21 -0.29 -3.80 -0.73 -0.68 -1.23 115.58 108.99 2k6b h ASN 41 Ca 0.01 -0.08 0.03 0.00 1.87 0.00 0.00 56.30 58.13 2k6b h ASN 41 Cb 0.13 -0.05 -0.03 0.00 0.27 0.00 0.00 38.32 38.63 2k6b h ASN 41 CO -0.00 0.23 0.08 0.28 -0.37 0.00 0.00 177.43 177.66 2k6b h SER 42 N 0.17 0.07 -0.09 1.15 0.02 -0.84 0.12 113.55 114.15 2k6b h SER 42 Ca 0.06 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 2k6b h SER 42 Cb 0.07 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2k6b h SER 42 CO -0.01 0.07 -0.19 0.16 -1.14 0.00 0.00 176.83 175.72 2k6b h ILE 43 N 0.20 1.40 0.00 3.27 3.07 -1.39 -2.44 117.51 121.63 2k6b h ILE 43 Ca 0.13 -1.50 -0.06 0.00 1.55 0.00 0.00 64.86 64.99 2k6b h ILE 43 Cb 0.12 2.16 -0.01 0.00 -0.27 0.00 0.00 36.82 38.82 2k6b h ILE 43 CO -0.15 0.43 -0.28 -0.07 -1.05 0.00 0.00 178.15 177.03 2k6b h LEU 44 N -0.17 0.00 0.03 0.16 3.38 -1.03 0.27 115.31 117.94 2k6b h LEU 44 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 2k6b h LEU 44 Cb 0.78 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2k6b h LEU 44 CO 0.04 0.28 -1.17 0.00 0.09 0.00 0.00 178.44 177.68 2k6b h ALA 45 N 1.72 0.34 0.09 1.53 0.00 -0.77 -2.49 119.26 119.69 2k6b h ALA 45 Ca -0.00 -0.98 -0.28 0.00 0.00 0.00 0.00 54.91 53.64 2k6b h ALA 45 Cb 0.59 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2k6b h ALA 45 CO 0.04 1.23 -1.50 1.96 0.00 0.00 0.00 179.25 180.97 2k6b h GLN 46 N 0.02 0.19 -0.19 0.00 1.08 -1.06 -3.39 115.11 111.76 2k6b h GLN 46 Ca -0.08 -0.32 -0.08 0.00 -1.45 0.00 0.00 58.65 56.71 2k6b h GLN 46 Cb 1.86 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 29.40 2k6b h GLN 46 CO 0.14 1.15 -0.20 0.28 -0.95 0.00 0.00 178.83 179.26 2k6b h VAL 47 N -0.38 1.33 -3.40 -0.54 2.07 -0.63 -3.29 116.25 111.41 2k6b h VAL 47 Ca -0.34 -1.37 -0.59 0.00 0.82 0.00 0.00 66.70 65.22 2k6b h VAL 47 Cb 1.71 1.80 -0.09 0.00 -1.52 0.00 0.00 31.29 33.19 2k6b h VAL 47 CO 0.00 0.41 -0.05 -0.76 0.02 0.00 0.00 177.57 177.19 2k6b s LEU 48 N -9.04 4.21 0.72 2.57 1.43 -0.94 0.63 118.68 118.26 2k6b s LEU 48 Ca -0.14 0.78 -0.16 0.00 -1.03 0.00 0.00 54.13 53.59 2k6b s LEU 48 Cb 0.06 -2.75 0.03 0.00 0.03 0.00 0.00 46.19 43.57 2k6b s LEU 48 CO 0.78 -0.11 1.24 -0.62 0.23 0.00 0.00 176.35 177.86 2k6b s ASP 49 N 0.92 4.20 0.47 2.29 2.15 -0.41 -4.55 116.67 121.76 2k6b s ASP 49 Ca 0.26 2.45 0.19 0.00 0.43 0.00 0.00 52.55 55.89 2k6b s ASP 49 Cb -0.15 -2.60 1.20 0.00 -0.30 0.00 0.00 42.92 41.06 2k6b s ASP 49 CO 0.11 -2.26 1.97 -0.61 -0.17 0.00 0.00 175.17 174.20 2k6b h GLN 50 N -0.13 0.23 0.00 4.34 4.15 -1.90 0.16 115.11 121.96 2k6b h GLN 50 Ca -0.48 -0.01 -0.14 0.00 0.77 0.00 0.00 58.65 58.78 2k6b h GLN 50 Cb 1.31 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.93 2k6b h GLN 50 CO 0.50 0.15 -0.66 0.77 -1.93 0.00 0.00 178.83 177.66 2k6b h SER 51 N 0.23 0.00 0.09 -0.69 0.02 -1.94 -2.82 113.55 108.44 2k6b h SER 51 Ca 0.30 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.09 2k6b h SER 51 Cb 0.85 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 2k6b h SER 51 CO -0.06 0.66 -0.56 0.00 -1.14 0.00 0.00 176.83 175.73 2k6b h ALA 52 N 1.34 0.73 0.00 3.77 0.00 -1.00 -0.51 119.26 123.57 2k6b h ALA 52 Ca -0.01 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 2k6b h ALA 52 Cb 1.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2k6b h ALA 52 CO 0.09 0.69 -0.40 0.00 0.00 0.00 0.00 179.25 179.63 2k6b h ARG 53 N 0.38 0.00 -0.28 0.00 -0.00 -1.28 0.14 114.38 113.34 2k6b h ARG 53 Ca 0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.98 59.40 2k6b h ARG 53 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.06 2k6b h ARG 53 CO 0.10 0.40 -0.16 0.00 0.00 0.00 0.00 179.97 180.31 2k6b h ALA 54 N 1.60 0.40 -0.79 0.04 0.00 -1.17 -0.31 119.26 119.02 2k6b h ALA 54 Ca -0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 2k6b h ALA 54 Cb 0.89 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2k6b h ALA 54 CO 0.05 0.30 0.36 -0.09 0.00 0.00 0.00 179.25 179.87 2k6b h ARG 55 N 0.34 1.16 -0.70 0.00 9.65 -0.80 -1.71 114.38 122.33 2k6b h ARG 55 Ca 0.06 -0.19 0.01 0.00 -1.10 0.00 0.00 59.98 58.76 2k6b h ARG 55 Cb 0.69 -0.20 -0.04 0.00 -1.39 0.00 0.00 29.97 29.03 2k6b h ARG 55 CO 0.05 0.91 0.46 1.25 2.80 0.00 0.00 179.97 185.44 2k6b h LEU 56 N 1.13 0.79 -0.51 3.80 5.85 -0.50 0.26 115.31 126.14 2k6b h LEU 56 Ca 0.27 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 2k6b h LEU 56 Cb 0.15 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2k6b h LEU 56 CO -0.03 0.57 0.20 0.28 -0.34 0.00 0.00 178.44 179.12 2k6b h SER 57 N 0.94 0.70 -0.58 1.25 0.02 -0.69 -2.18 113.55 113.01 2k6b h SER 57 Ca 0.26 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 2k6b h SER 57 Cb -0.10 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.23 2k6b h SER 57 CO -0.06 0.68 0.24 -1.13 -1.14 0.00 0.00 176.83 175.42 2k6b h ASN 58 N 0.68 0.83 -0.21 3.07 -0.73 -0.89 -2.53 115.58 115.81 2k6b h ASN 58 Ca 0.17 -0.11 -0.04 0.00 1.87 0.00 0.00 56.30 58.19 2k6b h ASN 58 Cb 0.20 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.56 2k6b h ASN 58 CO -0.01 0.75 0.03 0.25 -0.37 0.00 0.00 177.43 178.08 2k6b h LEU 59 N 0.89 0.42 -2.27 0.34 7.12 -0.49 -0.99 115.31 120.33 2k6b h LEU 59 Ca 0.21 -0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.15 2k6b h LEU 59 Cb 0.19 -0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 40.21 2k6b h LEU 59 CO -0.02 0.46 -0.05 0.00 -0.13 0.00 0.00 178.44 178.71 2k6b h ALA 60 N 1.60 1.20 0.06 1.25 0.00 -0.95 -0.91 119.26 121.51 2k6b h ALA 60 Ca 0.10 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.73 2k6b h ALA 60 Cb 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2k6b h ALA 60 CO 0.00 0.06 -1.10 -0.07 0.00 0.00 0.00 179.25 178.15 2k6b h LEU 61 N 0.00 0.21 0.00 0.00 4.07 -1.22 -3.38 115.31 115.00 2k6b h LEU 61 Ca -0.00 -0.22 -0.03 0.00 0.08 0.00 0.00 57.88 57.71 2k6b h LEU 61 Cb 0.20 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.87 2k6b h LEU 61 CO 0.01 1.16 -0.49 -0.37 -1.08 0.00 0.00 178.44 177.66 2k6b h VAL 62 N 0.04 0.17 -2.22 1.22 -1.51 -1.24 -3.47 116.25 109.25 2k6b h VAL 62 Ca -0.07 -1.19 -0.34 0.00 -1.23 0.00 0.00 66.70 63.87 2k6b h VAL 62 Cb 1.83 0.39 -0.34 0.00 -2.13 0.00 0.00 31.29 31.04 2k6b h VAL 62 CO 0.16 0.06 -0.65 -0.54 -1.23 0.00 0.00 177.57 175.38 2k6b s LYS 63 N -2.13 0.30 0.61 5.19 1.02 -0.44 -5.01 119.74 119.28 2k6b s LYS 63 Ca -0.14 -0.14 0.39 0.00 0.02 0.00 0.00 55.97 56.10 2k6b s LYS 63 Cb 0.02 -0.73 1.93 0.00 -0.52 0.00 0.00 37.83 38.53 2k6b s LYS 63 CO 0.24 -1.00 2.20 -1.35 -0.92 0.00 0.00 175.35 174.52 2k6b h PRO 64 N 8.28 0.00 -0.44 -1.68 0.11 -1.73 -2.07 132.00 134.47 2k6b h PRO 64 Ca -0.14 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 2k6b h PRO 64 Cb 1.08 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2k6b h PRO 64 CO 0.34 0.01 0.23 0.93 -0.21 0.00 0.00 178.00 179.31 2k6b h GLU 65 N 0.00 0.61 0.00 1.05 5.08 -1.95 -0.41 114.58 118.97 2k6b h GLU 65 Ca -0.00 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.13 2k6b h GLU 65 Cb 0.23 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2k6b h GLU 65 CO 0.00 0.50 -0.72 0.87 -1.00 0.00 0.00 179.01 178.65 2k6b h LYS 66 N 0.57 0.00 0.15 2.33 6.56 -1.75 -2.01 116.57 122.41 2k6b h LYS 66 Ca 0.15 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.74 2k6b h LYS 66 Cb 0.07 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.73 2k6b h LYS 66 CO -0.02 0.72 -0.07 1.15 -2.06 0.00 0.00 179.45 179.17 2k6b h THR 67 N 0.00 0.91 -0.06 -0.16 2.02 -1.18 0.13 112.91 114.56 2k6b h THR 67 Ca -0.01 -0.23 -0.07 0.00 0.77 0.00 0.00 66.41 66.88 2k6b h THR 67 Cb 1.30 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 2k6b h THR 67 CO 0.09 0.05 -0.28 0.07 0.37 0.00 0.00 175.52 175.83 2k6b h LYS 68 N -0.30 0.11 -0.01 6.66 2.10 -1.08 -0.81 116.57 123.24 2k6b h LYS 68 Ca -0.02 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 58.59 2k6b h LYS 68 Cb 0.24 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.56 2k6b h LYS 68 CO 0.03 0.39 -0.00 0.00 -2.00 0.00 0.00 179.45 177.87 2k6b h ALA 69 N 1.61 0.02 -0.54 0.07 0.00 -1.03 -0.17 119.26 119.22 2k6b h ALA 69 Ca 0.02 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 2k6b h ALA 69 Cb 0.55 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2k6b h ALA 69 CO 0.04 -0.32 -0.03 -0.39 0.00 0.00 0.00 179.25 178.55 2k6b h VAL 70 N -0.29 1.26 -0.04 0.00 -1.51 -0.75 -0.43 116.25 114.50 2k6b h VAL 70 Ca 0.00 -1.14 0.00 0.00 -1.23 0.00 0.00 66.70 64.34 2k6b h VAL 70 Cb 0.32 0.88 -0.00 0.00 -2.13 0.00 0.00 31.29 30.36 2k6b h VAL 70 CO 0.00 0.41 0.01 -0.33 -1.23 0.00 0.00 177.57 176.42 2k6b h GLU 71 N 0.87 0.02 -0.68 5.19 5.08 -1.09 0.10 114.58 124.07 2k6b h GLU 71 Ca 0.15 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 2k6b h GLU 71 Cb 0.55 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 2k6b h GLU 71 CO 0.03 0.01 0.39 -0.97 -1.00 0.00 0.00 179.01 177.48 2k6b h ASN 72 N 0.02 0.60 0.02 1.42 -0.73 -0.90 -0.88 115.58 115.13 2k6b h ASN 72 Ca 0.02 0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.21 2k6b h ASN 72 Cb 0.01 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 38.50 2k6b h ASN 72 CO -0.02 0.40 -0.01 0.22 -0.37 0.00 0.00 177.43 177.65 2k6b h TYR 73 N 0.73 -0.02 -0.79 0.67 3.20 -0.58 -1.40 116.97 118.79 2k6b h TYR 73 Ca 0.29 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 2k6b h TYR 73 Cb 0.14 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 2k6b h TYR 73 CO -0.07 0.10 0.38 -0.07 -1.64 0.00 0.00 178.16 176.86 2k6b h LEU 74 N -0.14 1.03 -0.73 2.82 -0.00 -0.49 0.34 115.31 118.14 2k6b h LEU 74 Ca -0.00 -0.14 0.05 0.00 -0.00 0.00 0.00 57.88 57.79 2k6b h LEU 74 Cb 0.13 -0.26 -0.05 0.00 -0.00 0.00 0.00 40.66 40.47 2k6b h LEU 74 CO 0.00 0.88 0.44 0.40 -0.00 0.00 0.00 178.44 180.17 2k6b h ILE 75 N 1.11 1.05 0.05 1.22 2.04 -1.00 0.15 117.51 122.12 2k6b h ILE 75 Ca 0.27 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 2k6b h ILE 75 Cb 0.12 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 2k6b h ILE 75 CO -0.03 0.15 -0.02 1.56 0.00 0.00 0.00 178.15 179.81 2k6b h GLN 76 N 0.84 -0.06 -0.59 2.37 7.50 -0.73 -1.90 115.11 122.54 2k6b h GLN 76 Ca 0.31 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.44 2k6b h GLN 76 Cb 0.11 0.01 -0.03 0.00 0.05 0.00 0.00 27.48 27.62 2k6b h GLN 76 CO -0.15 0.46 0.25 1.98 -1.50 0.00 0.00 178.83 179.87 2k6b h MET 77 N -0.62 0.85 -0.24 1.46 4.05 -0.14 -1.92 114.93 118.36 2k6b h MET 77 Ca -0.01 -0.12 -0.20 0.00 -0.28 0.00 0.00 59.70 59.09 2k6b h MET 77 Cb 0.54 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.19 2k6b h MET 77 CO 0.01 0.68 -0.63 0.00 0.23 0.00 0.00 176.91 177.20 2k6b h ALA 78 N 1.44 0.41 0.00 0.39 0.00 -0.75 -3.09 119.26 117.66 2k6b h ALA 78 Ca 0.20 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2k6b h ALA 78 Cb 0.14 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2k6b h ALA 78 CO -0.02 0.68 -0.11 -0.09 0.00 0.00 0.00 179.25 179.71 2k6b h ARG 79 N 0.63 0.00 0.00 0.00 2.43 -0.62 -0.83 114.38 116.00 2k6b h ARG 79 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2k6b h ARG 79 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2k6b h ARG 79 CO 0.14 0.11 0.00 0.66 -1.51 0.00 0.00 179.97 179.37 2k6b n TYR 80 N -4.17 0.00 -1.57 2.20 4.01 -0.79 -4.84 117.16 112.00 2k6b n TYR 80 Ca -0.03 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.61 2k6b n TYR 80 Cb 0.19 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.19 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 0.55 0.78 0.19 2.72 0.00 -0.32 -4.88 105.19 104.24 2k6b n GLY 81 Ca 0.03 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.48 0.49 -4.16 1.61 6.02 -1.17 -4.93 117.38 112.75 2k6b n GLN 82 Ca -0.11 -0.39 -0.12 0.00 -0.01 0.00 0.00 57.00 56.37 2k6b n GLN 82 Cb 0.41 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 30.07 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 -2.78 2.45 0.00 1.08 2.01 -1.25 -4.96 118.68 115.23 2k6b s LEU 83 Ca 0.13 -0.90 0.00 0.00 0.01 0.00 0.00 54.13 53.37 2k6b s LEU 83 Cb 0.17 -0.17 0.00 0.00 0.01 0.00 0.00 46.19 46.20 2k6b s LEU 83 CO 0.73 -0.37 0.00 -0.24 1.01 0.00 0.00 176.35 177.48 2k6b n SER 84 N 0.29 0.00 -4.92 2.29 2.88 -1.26 -4.85 113.62 108.05 2k6b n SER 84 Ca -0.14 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.13 2k6b n SER 84 Cb 0.59 0.01 0.05 0.00 -0.75 0.00 0.00 64.21 64.11 2k6b n SER 84 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2k6b s GLU 85 N -1.03 2.53 -0.05 -1.46 0.41 -1.26 -4.17 118.70 113.67 2k6b s GLU 85 Ca 0.00 -0.10 -0.30 0.00 -0.41 0.00 0.00 54.97 54.17 2k6b s GLU 85 Cb 0.00 -2.20 -0.05 0.00 -1.78 0.00 0.00 34.13 30.10 2k6b s GLU 85 CO 0.00 -1.01 1.59 0.15 -0.49 0.00 0.00 175.26 175.50 2k6b s LYS 86 N -5.16 4.20 -0.26 1.61 1.02 -1.24 -4.40 119.74 115.51 2k6b s LYS 86 Ca 0.57 2.13 -0.19 0.00 0.02 0.00 0.00 55.97 58.50 2k6b s LYS 86 Cb -0.11 -3.91 -0.02 0.00 -0.52 0.00 0.00 37.83 33.27 2k6b s LYS 86 CO 0.45 -0.80 0.55 0.08 -0.92 0.00 0.00 175.35 174.71 2k6b s VAL 87 N 3.76 5.04 0.91 3.17 1.01 0.20 -4.86 120.40 129.63 2k6b s VAL 87 Ca 0.71 0.96 -0.12 0.00 0.00 0.00 0.00 61.98 63.52 2k6b s VAL 87 Cb -0.32 -3.87 0.19 0.00 0.00 0.00 0.00 36.38 32.38 2k6b s VAL 87 CO 0.28 0.06 1.25 -0.44 0.00 0.00 0.00 175.10 176.25 2k6b s SER 88 N 1.53 3.33 0.26 3.32 0.01 -1.26 -1.28 113.70 119.60 2k6b s SER 88 Ca 0.23 0.03 -0.03 0.00 1.31 0.00 0.00 55.95 57.48 2k6b s SER 88 Cb -0.16 -0.12 0.37 0.00 0.21 0.00 0.00 66.02 66.33 2k6b s SER 88 CO 0.09 -2.57 1.88 -0.33 0.41 0.00 0.00 173.24 172.72 2k6b h GLU 89 N -1.39 1.13 -0.58 12.44 5.08 -1.93 -0.59 114.58 128.74 2k6b h GLU 89 Ca -0.42 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 57.94 2k6b h GLU 89 Cb 1.23 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 2k6b h GLU 89 CO 0.36 0.75 0.39 0.37 -1.00 0.00 0.00 179.01 179.88 2k6b h GLN 90 N 1.17 0.53 -0.01 2.33 4.15 -1.99 0.17 115.11 121.46 2k6b h GLN 90 Ca 0.41 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.68 2k6b h GLN 90 Cb 0.13 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 27.70 2k6b h GLN 90 CO -0.16 0.35 -0.49 0.78 -1.93 0.00 0.00 178.83 177.38 2k6b h GLY 91 N 0.55 0.39 1.21 2.39 0.00 -1.50 -2.97 103.07 103.14 2k6b h GLY 91 Ca 0.25 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 2k6b h GLY 91 CO -0.07 0.59 0.39 -2.00 0.00 0.00 0.00 176.54 175.44 2k6b h LEU 92 N -0.20 0.92 -1.21 3.11 5.85 -0.55 -1.45 115.31 121.79 2k6b h LEU 92 Ca -0.06 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 2k6b h LEU 92 Cb 1.21 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 2k6b h LEU 92 CO 0.10 0.76 0.20 0.40 -0.34 0.00 0.00 178.44 179.56 2k6b h ILE 93 N 1.03 1.19 -0.37 4.05 2.04 -0.75 0.27 117.51 124.97 2k6b h ILE 93 Ca 0.26 -0.61 -0.12 0.00 1.00 0.00 0.00 64.86 65.39 2k6b h ILE 93 Cb 0.05 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2k6b h ILE 93 CO -0.04 0.24 -0.24 -0.08 0.00 0.00 0.00 178.15 178.03 2k6b h GLU 94 N 0.75 0.83 -0.60 2.37 4.81 -1.13 -1.44 114.58 120.16 2k6b h GLU 94 Ca 0.18 -0.39 -0.04 0.00 -0.13 0.00 0.00 59.36 58.98 2k6b h GLU 94 Cb 0.16 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 2k6b h GLU 94 CO -0.02 1.02 0.22 0.82 -0.73 0.00 0.00 179.01 180.33 2k6b h ILE 95 N 0.62 1.22 -0.84 2.32 2.04 -0.71 -1.81 117.51 120.34 2k6b h ILE 95 Ca 0.08 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.23 2k6b h ILE 95 Cb 0.81 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 2k6b h ILE 95 CO 0.07 0.28 0.55 0.25 0.00 0.00 0.00 178.15 179.29 2k6b h LEU 96 N 0.87 0.98 -0.32 1.44 5.85 -0.16 -1.33 115.31 122.64 2k6b h LEU 96 Ca 0.20 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.91 2k6b h LEU 96 Cb 0.20 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2k6b h LEU 96 CO -0.02 0.72 0.17 0.11 -0.34 0.00 0.00 178.44 179.09 2k6b h LYS 97 N 1.15 0.34 -0.57 1.25 1.57 -0.44 -0.43 116.57 119.44 2k6b h LYS 97 Ca 0.31 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2k6b h LYS 97 Cb -0.11 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 2k6b h LYS 97 CO -0.06 0.23 0.35 0.87 -0.57 0.00 0.00 179.45 180.26 2k6b h LYS 98 N 0.35 0.77 0.00 3.15 1.57 -0.87 0.38 116.57 121.93 2k6b h LYS 98 Ca 0.13 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2k6b h LYS 98 Cb 0.03 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2k6b h LYS 98 CO -0.08 0.55 -0.25 -0.39 -0.57 0.00 0.00 179.45 178.71 2k6b h VAL 99 N 0.77 0.46 0.01 0.50 -1.51 -1.05 0.28 116.25 115.71 2k6b h VAL 99 Ca 0.20 -1.51 -0.20 0.00 -1.23 0.00 0.00 66.70 63.97 2k6b h VAL 99 Cb -0.02 2.11 -0.02 0.00 -2.13 0.00 0.00 31.29 31.23 2k6b h VAL 99 CO -0.04 0.25 -0.93 0.28 -1.23 0.00 0.00 177.57 175.90 2k6b h SER 100 N 0.00 0.11 0.19 4.19 0.02 -0.64 -3.34 113.55 114.09 2k6b h SER 100 Ca -0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 2k6b h SER 100 Cb 1.09 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2k6b h SER 100 CO 0.03 0.98 -0.09 -0.61 -1.14 0.00 0.00 176.83 176.00 2k6b h GLN 101 N 0.04 -0.25 0.00 3.45 4.15 -0.68 -3.49 115.11 118.33 2k6b h GLN 101 Ca -0.03 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2k6b h GLN 101 Cb 1.61 0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.35 2k6b h GLN 101 CO 0.13 0.14 0.00 0.94 -1.93 0.00 0.00 178.83 178.11 2k6b n GLN 102 N -4.95 0.00 0.00 1.69 7.27 0.05 -5.09 117.38 116.34 2k6b n GLN 102 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.99 2k6b n GLN 102 Cb 0.25 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.90 2k6b n GLN 102 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2k6b n THR 103 N -0.73 0.00 0.00 1.69 -2.24 -0.97 -4.63 114.28 107.41 2k6b n THR 103 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2k6b n THR 103 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2k6b n THR 103 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2k6b n GLU 104 N -1.83 0.00 -1.76 -0.78 0.00 -1.26 -3.61 120.64 111.40 2k6b n GLU 104 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.15 2k6b n GLU 104 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 31.44 31.43 2k6b n GLU 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2k6b n LYS 105 N -2.34 -0.25 -0.03 5.31 5.02 -1.26 -5.06 118.16 119.55 2k6b n LYS 105 Ca 0.00 0.53 -0.02 0.00 -2.02 0.00 0.00 58.31 56.80 2k6b n LYS 105 Cb 0.00 -2.19 -0.01 0.00 -0.02 0.00 0.00 35.03 32.82 2k6b n LYS 105 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2k6b h THR 106 N 0.01 0.00 -3.15 -0.18 2.02 -2.05 -3.44 112.91 106.12 2k6b h THR 106 Ca -0.02 -0.50 -0.70 0.00 0.77 0.00 0.00 66.41 65.95 2k6b h THR 106 Cb 1.01 0.00 -0.20 0.00 -1.74 0.00 0.00 68.15 67.23 2k6b h THR 106 CO 0.05 0.00 -0.01 -0.89 0.37 0.00 0.00 175.52 175.04 2k6b s THR 107 N -1.59 4.94 -0.15 3.16 2.01 -1.26 -5.03 115.64 117.72 2k6b s THR 107 Ca -0.07 -0.79 -0.24 0.00 0.31 0.00 0.00 61.69 60.90 2k6b s THR 107 Cb 0.01 -4.33 -0.02 0.00 0.01 0.00 0.00 72.50 68.17 2k6b s THR 107 CO 0.10 -0.86 0.78 0.42 -0.69 0.00 0.00 174.62 174.37 2k6b s THR 108 N 2.42 4.93 -0.61 -0.82 -4.23 -1.26 -5.00 115.64 111.07 2k6b s THR 108 Ca 0.12 1.55 -0.28 0.00 -1.18 0.00 0.00 61.69 61.90 2k6b s THR 108 Cb -0.22 -4.10 0.02 0.00 1.34 0.00 0.00 72.50 69.54 2k6b s THR 108 CO 0.09 0.08 1.38 0.68 -0.54 0.00 0.00 174.62 176.31 2k6b s VAL 109 N 1.86 3.77 -0.03 2.29 -7.23 -1.26 -4.74 120.40 115.06 2k6b s VAL 109 Ca 0.37 0.61 0.04 0.00 -1.81 0.00 0.00 61.98 61.20 2k6b s VAL 109 Cb -0.17 -4.55 0.07 0.00 0.56 0.00 0.00 36.38 32.29 2k6b s VAL 109 CO 0.13 -1.33 0.94 2.29 -0.31 0.00 0.00 175.10 176.82 2k6b n LYS 110 N 8.83 1.72 -3.76 4.82 2.85 -1.26 -5.04 118.16 126.31 2k6b n LYS 110 Ca 0.10 -1.50 -0.03 0.00 -1.05 0.00 0.00 58.31 55.83 2k6b n LYS 110 Cb 0.49 -0.97 -0.01 0.00 -0.65 0.00 0.00 35.03 33.89 2k6b n LYS 110 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 2k6b s PHE 111 N -1.14 -0.12 0.00 5.58 5.36 -1.26 -5.36 117.98 121.04 2k6b s PHE 111 Ca 0.07 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 55.85 2k6b s PHE 111 Cb 0.06 0.64 0.00 0.00 -0.34 0.00 0.00 43.02 43.39 2k6b s PHE 111 CO 0.01 -0.82 0.22 -1.71 -1.46 0.00 0.00 175.22 171.45