#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6b n SER 1 N 0.00 3.96 -0.19 1.61 7.64 -1.26 -4.88 113.62 120.50 2k6b n SER 1 Ca 0.00 -3.19 -0.09 0.00 1.01 0.00 0.00 58.87 56.60 2k6b n SER 1 Cb 0.00 -0.96 0.01 0.00 -1.01 0.00 0.00 64.21 62.25 2k6b n SER 1 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k6b h ALA 2 N 5.67 0.70 -0.12 -0.43 0.00 -2.05 -2.24 119.26 120.80 2k6b h ALA 2 Ca 0.16 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2k6b h ALA 2 Cb 0.78 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2k6b h ALA 2 CO 0.84 0.46 -0.34 -0.44 0.00 0.00 0.00 179.25 179.78 2k6b h ASP 3 N 0.77 0.24 -0.17 0.00 3.32 -1.97 0.21 116.42 118.82 2k6b h ASP 3 Ca 0.16 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 2k6b h ASP 3 Cb 0.44 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2k6b h ASP 3 CO 0.01 0.57 0.01 -0.08 -1.72 0.00 0.00 179.24 178.04 2k6b h GLU 4 N 0.21 0.30 -0.32 3.56 4.57 -1.91 0.25 114.58 121.24 2k6b h GLU 4 Ca 0.03 -0.09 -0.12 0.00 -1.18 0.00 0.00 59.36 58.00 2k6b h GLU 4 Cb 0.70 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 2k6b h GLU 4 CO 0.05 0.50 -0.28 0.93 -1.18 0.00 0.00 179.01 179.03 2k6b h GLU 5 N 0.06 0.67 -0.08 1.92 5.08 -1.00 -0.12 114.58 121.11 2k6b h GLU 5 Ca 0.05 -0.29 -0.12 0.00 -1.00 0.00 0.00 59.36 58.00 2k6b h GLU 5 Cb 0.36 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2k6b h GLU 5 CO 0.01 0.87 -0.51 1.25 -1.00 0.00 0.00 179.01 179.63 2k6b h LEU 6 N 0.57 0.22 -0.42 1.33 5.85 -0.48 -2.63 115.31 119.75 2k6b h LEU 6 Ca 0.07 -0.11 -0.17 0.00 0.84 0.00 0.00 57.88 58.51 2k6b h LEU 6 Cb 0.78 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 2k6b h LEU 6 CO 0.06 0.70 -0.51 -0.08 -0.34 0.00 0.00 178.44 178.27 2k6b h GLU 7 N 0.16 0.74 -0.43 1.25 4.81 -0.10 -2.67 114.58 118.35 2k6b h GLU 7 Ca 0.00 -0.45 0.03 0.00 -0.13 0.00 0.00 59.36 58.81 2k6b h GLU 7 Cb 0.96 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 2k6b h GLU 7 CO 0.08 1.08 0.29 0.00 -0.73 0.00 0.00 179.01 179.72 2k6b h ALA 8 N 0.84 1.81 -0.57 2.92 0.00 -0.78 0.26 119.26 123.74 2k6b h ALA 8 Ca 0.02 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2k6b h ALA 8 Cb 1.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2k6b h ALA 8 CO 0.11 0.14 0.05 1.25 0.00 0.00 0.00 179.25 180.80 2k6b h LEU 9 N 0.48 0.95 -0.65 0.00 6.46 -1.21 -0.12 115.31 121.21 2k6b h LEU 9 Ca 0.17 -0.28 -0.14 0.00 -0.12 0.00 0.00 57.88 57.51 2k6b h LEU 9 Cb 0.10 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 2k6b h LEU 9 CO -0.04 0.99 -0.44 -0.09 -0.62 0.00 0.00 178.44 178.25 2k6b h ARG 10 N 0.87 0.55 -0.09 1.25 2.43 -0.70 -1.63 114.38 117.06 2k6b h ARG 10 Ca 0.17 -0.29 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 2k6b h ARG 10 Cb 0.48 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2k6b h ARG 10 CO 0.02 0.88 -0.24 0.00 -1.51 0.00 0.00 179.97 179.12 2k6b h ARG 11 N 0.44 0.15 -0.37 0.20 3.08 -0.24 0.25 114.38 117.90 2k6b h ARG 11 Ca 0.03 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2k6b h ARG 11 Cb 0.94 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 2k6b h ARG 11 CO 0.08 0.38 0.06 0.37 -1.07 0.00 0.00 179.97 179.79 2k6b h GLN 12 N 0.14 0.61 -0.01 0.04 4.15 -0.57 0.22 115.11 119.68 2k6b h GLN 12 Ca 0.02 -0.16 -0.05 0.00 0.77 0.00 0.00 58.65 59.23 2k6b h GLN 12 Cb 0.50 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 2k6b h GLN 12 CO 0.03 0.67 -0.21 -0.09 -1.93 0.00 0.00 178.83 177.30 2k6b h ARG 13 N 0.45 0.01 -0.22 1.69 1.12 -0.52 -0.87 114.38 116.03 2k6b h ARG 13 Ca 0.11 -0.00 -0.19 0.00 -1.11 0.00 0.00 59.98 58.79 2k6b h ARG 13 Cb 0.36 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.32 2k6b h ARG 13 CO 0.01 0.22 -0.63 1.25 -3.11 0.00 0.00 179.97 177.71 2k6b h LEU 14 N 0.01 0.87 -1.41 3.80 6.46 -0.19 -3.11 115.31 121.73 2k6b h LEU 14 Ca -0.00 -0.50 -0.05 0.00 -0.12 0.00 0.00 57.88 57.21 2k6b h LEU 14 Cb 0.38 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 2k6b h LEU 14 CO 0.03 1.28 -0.23 0.00 -0.62 0.00 0.00 178.44 178.90 2k6b h ALA 15 N 0.72 1.17 -0.74 1.25 0.00 0.36 0.39 119.26 122.40 2k6b h ALA 15 Ca -0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2k6b h ALA 15 Cb 1.23 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2k6b h ALA 15 CO 0.13 0.29 0.36 0.93 0.00 0.00 0.00 179.25 180.96 2k6b h GLU 16 N 0.00 1.07 0.00 0.00 4.39 -1.21 -1.35 114.58 117.49 2k6b h GLU 16 Ca -0.00 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.50 2k6b h GLU 16 Cb 0.60 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2k6b h GLU 16 CO 0.03 0.84 -0.20 1.25 -1.16 0.00 0.00 179.01 179.77 2k6b h LEU 17 N 1.05 0.00 0.00 1.33 7.12 -1.22 -3.47 115.31 120.12 2k6b h LEU 17 Ca 0.26 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.27 2k6b h LEU 17 Cb 0.12 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.25 2k6b h LEU 17 CO -0.03 0.20 0.00 1.67 -0.13 0.00 0.00 178.44 180.15 2k6b n GLN 18 N -3.24 -0.48 -2.80 1.25 7.27 -0.00 -3.45 117.38 115.93 2k6b n GLN 18 Ca 0.01 0.12 -0.19 0.00 0.07 0.00 0.00 57.00 57.01 2k6b n GLN 18 Cb 0.50 -3.48 0.01 0.00 2.41 0.00 0.00 30.24 29.68 2k6b n GLN 18 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2k6b n ALA 19 N 1.00 -0.86 -2.39 1.69 0.00 -1.22 -4.89 120.51 113.83 2k6b n ALA 19 Ca 0.00 0.16 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 2k6b n ALA 19 Cb 0.12 -2.61 -0.03 0.00 0.00 0.00 0.00 19.45 16.93 2k6b n ALA 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2k6b s LYS 20 N -5.44 4.32 -0.44 0.00 -2.85 -1.22 -4.90 119.74 109.21 2k6b s LYS 20 Ca 0.17 1.74 0.07 0.00 -1.00 0.00 0.00 55.97 56.96 2k6b s LYS 20 Cb -0.08 -3.60 0.28 0.00 -2.06 0.00 0.00 37.83 32.37 2k6b s LYS 20 CO 0.21 -0.52 0.85 -2.39 0.10 0.00 0.00 175.35 173.61 2k6b n HIS 21 N 5.47 -2.04 0.00 1.78 1.44 -1.26 -4.89 115.22 115.72 2k6b n HIS 21 Ca 0.12 -2.57 0.00 0.00 -2.01 0.00 0.00 57.72 53.26 2k6b n HIS 21 Cb 0.45 0.87 0.00 0.00 0.12 0.00 0.00 29.99 31.44 2k6b n HIS 21 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2k6b n GLY 22 N 1.01 0.00 3.20 -1.39 0.00 -1.26 -5.15 105.19 101.60 2k6b n GLY 22 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 1.17 0.03 1.61 -4.77 -1.26 -5.07 116.67 108.38 2k6b s ASP 23 Ca 0.00 -1.09 -0.22 0.00 -3.30 0.00 0.00 52.55 47.94 2k6b s ASP 23 Cb 0.00 0.11 -0.16 0.00 -1.09 0.00 0.00 42.92 41.78 2k6b s ASP 23 CO 0.00 -0.51 1.37 1.55 0.70 0.00 0.00 175.17 178.28 2k6b h PRO 24 N 2.83 0.20 0.00 2.11 0.13 -2.01 -3.50 132.00 131.76 2k6b h PRO 24 Ca -0.36 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2k6b h PRO 24 Cb 1.19 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k6b h PRO 24 CO 0.64 0.56 0.00 0.41 -0.23 0.00 0.00 178.00 179.38 2k6b n GLY 25 N 0.02 2.99 0.34 1.56 0.00 -1.26 -4.42 105.19 104.43 2k6b n GLY 25 Ca -0.07 -1.81 -0.01 0.00 0.00 0.00 0.00 46.02 44.14 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 0.94 -0.35 1.61 3.58 -1.99 0.14 116.42 120.35 2k6b h ASP 26 Ca 0.00 -0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 2k6b h ASP 26 Cb 0.00 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 2k6b h ASP 26 CO 0.00 0.64 -0.18 0.00 -2.88 0.00 0.00 179.24 176.81 2k6b h ALA 27 N 1.38 0.87 0.00 -0.78 0.00 -2.01 -2.48 119.26 116.24 2k6b h ALA 27 Ca 0.36 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2k6b h ALA 27 Cb 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2k6b h ALA 27 CO -0.13 0.63 -0.49 0.00 0.00 0.00 0.00 179.25 179.27 2k6b h ALA 28 N 1.06 0.95 -0.08 0.00 0.00 -1.56 -2.32 119.26 117.31 2k6b h ALA 28 Ca 0.11 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2k6b h ALA 28 Cb 0.70 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2k6b h ALA 28 CO 0.05 0.61 -0.27 1.96 0.00 0.00 0.00 179.25 181.60 2k6b h GLN 29 N 0.00 0.15 -0.00 0.00 4.20 -0.32 0.18 115.11 119.32 2k6b h GLN 29 Ca -0.00 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 2k6b h GLN 29 Cb 1.02 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 2k6b h GLN 29 CO 0.06 0.41 -0.52 0.37 -0.67 0.00 0.00 178.83 178.48 2k6b h GLN 30 N 0.14 0.00 -0.20 1.46 5.75 -1.11 0.21 115.11 121.36 2k6b h GLN 30 Ca 0.02 -0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.33 2k6b h GLN 30 Cb 0.55 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.10 2k6b h GLN 30 CO 0.04 0.52 -0.64 0.93 -2.65 0.00 0.00 178.83 177.03 2k6b h GLU 31 N 0.00 0.71 -0.40 1.69 5.08 -0.93 -0.99 114.58 119.74 2k6b h GLU 31 Ca -0.01 -0.50 -0.07 0.00 -1.00 0.00 0.00 59.36 57.78 2k6b h GLU 31 Cb 0.92 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2k6b h GLU 31 CO 0.07 1.12 -0.05 0.00 -1.00 0.00 0.00 179.01 179.15 2k6b h ALA 32 N 0.76 1.17 -0.67 3.43 0.00 -0.23 0.21 119.26 123.94 2k6b h ALA 32 Ca -0.01 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 2k6b h ALA 32 Cb 1.23 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2k6b h ALA 32 CO 0.13 0.53 0.12 -0.22 0.00 0.00 0.00 179.25 179.81 2k6b h LYS 33 N 0.62 1.08 -0.57 0.00 1.63 -0.43 -0.11 116.57 118.80 2k6b h LYS 33 Ca 0.12 -0.28 -0.02 0.00 -0.85 0.00 0.00 60.65 59.62 2k6b h LYS 33 Cb 0.46 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.93 2k6b h LYS 33 CO 0.02 0.98 0.27 1.25 -3.45 0.00 0.00 179.45 178.53 2k6b h HIS 34 N 1.02 0.82 -0.20 1.91 2.76 -0.44 -2.34 115.15 118.68 2k6b h HIS 34 Ca 0.21 -0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.30 2k6b h HIS 34 Cb 0.41 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 2k6b h HIS 34 CO 0.03 0.63 -0.01 -0.09 -1.30 0.00 0.00 177.93 177.19 2k6b h ARG 35 N 0.77 0.29 -0.23 5.26 9.65 -0.08 -2.29 114.38 127.76 2k6b h ARG 35 Ca 0.19 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 59.05 2k6b h ARG 35 Cb 0.12 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.63 2k6b h ARG 35 CO -0.02 0.33 0.07 0.93 2.80 0.00 0.00 179.97 184.07 2k6b h GLU 36 N 0.29 0.17 -0.59 0.20 4.39 -0.47 0.31 114.58 118.87 2k6b h GLU 36 Ca 0.07 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.78 2k6b h GLU 36 Cb 0.22 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 2k6b h GLU 36 CO 0.01 0.11 0.37 0.00 -1.16 0.00 0.00 179.01 178.33 2k6b h ALA 37 N 1.15 0.76 -0.27 3.43 0.00 -1.30 0.14 119.26 123.18 2k6b h ALA 37 Ca 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2k6b h ALA 37 Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2k6b h ALA 37 CO -0.11 0.11 0.13 0.93 0.00 0.00 0.00 179.25 180.31 2k6b h GLU 38 N 0.73 0.38 -0.65 0.00 5.08 -0.99 0.26 114.58 119.39 2k6b h GLU 38 Ca 0.24 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 2k6b h GLU 38 Cb 0.01 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2k6b h GLU 38 CO -0.09 0.36 0.16 0.52 -1.00 0.00 0.00 179.01 178.96 2k6b h MET 39 N 0.30 1.02 0.22 2.33 2.86 0.03 0.11 114.93 121.80 2k6b h MET 39 Ca 0.09 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2k6b h MET 39 Cb 0.11 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.63 2k6b h MET 39 CO -0.01 0.90 -0.11 0.00 1.06 0.00 0.00 176.91 178.75 2k6b h ARG 40 N 0.97 -0.28 -0.83 1.72 -0.00 -0.52 -3.11 114.38 112.32 2k6b h ARG 40 Ca 0.21 0.02 0.07 0.00 -0.50 0.00 0.00 59.98 59.77 2k6b h ARG 40 Cb 0.34 0.06 -0.06 0.00 0.00 0.00 0.00 29.97 30.31 2k6b h ARG 40 CO 0.00 0.03 0.51 -0.97 0.00 0.00 0.00 179.97 179.53 2k6b h ASN 41 N -0.61 0.78 -0.22 7.04 -1.24 -0.15 0.34 115.58 121.51 2k6b h ASN 41 Ca -0.03 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.00 2k6b h ASN 41 Cb 0.44 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 2k6b h ASN 41 CO 0.05 0.49 0.14 0.28 -1.29 0.00 0.00 177.43 177.10 2k6b h SER 42 N 0.91 0.25 0.11 1.15 0.02 -0.88 -0.36 113.55 114.76 2k6b h SER 42 Ca 0.37 -0.02 -0.26 0.00 -0.84 0.00 0.00 61.79 61.04 2k6b h SER 42 Cb 0.20 -0.06 0.02 0.00 0.14 0.00 0.00 62.40 62.70 2k6b h SER 42 CO -0.19 0.20 -1.04 0.16 -1.14 0.00 0.00 176.83 174.83 2k6b h ILE 43 N 0.29 1.31 0.00 3.27 3.07 -1.30 -3.24 117.51 120.91 2k6b h ILE 43 Ca 0.08 -2.33 -0.03 0.00 1.55 0.00 0.00 64.86 64.13 2k6b h ILE 43 Cb -0.01 2.42 -0.00 0.00 -0.27 0.00 0.00 36.82 38.96 2k6b h ILE 43 CO -0.02 0.71 -0.12 -0.07 -1.05 0.00 0.00 178.15 177.61 2k6b h LEU 44 N 0.34 0.00 -1.14 0.16 3.38 -0.24 0.33 115.31 118.15 2k6b h LEU 44 Ca -0.12 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 2k6b h LEU 44 Cb 1.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 2k6b h LEU 44 CO 0.20 0.12 -0.42 0.00 0.09 0.00 0.00 178.44 178.42 2k6b h ALA 45 N 1.88 1.26 0.00 1.53 0.00 -1.09 0.26 119.26 123.10 2k6b h ALA 45 Ca -0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.36 2k6b h ALA 45 Cb 0.26 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2k6b h ALA 45 CO 0.02 0.53 -1.89 1.04 0.00 0.00 0.00 179.25 178.95 2k6b n GLN 46 N -3.97 0.65 -0.02 0.00 1.13 -0.06 -4.42 117.38 110.70 2k6b n GLN 46 Ca -0.02 -0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.83 2k6b n GLN 46 Cb 0.46 -1.62 -0.13 0.00 0.11 0.00 0.00 30.24 29.05 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 0.00 0.74 -3.30 5.09 2.07 -0.41 -3.39 116.25 117.04 2k6b h VAL 47 Ca -0.21 -2.32 -0.61 0.00 0.82 0.00 0.00 66.70 64.38 2k6b h VAL 47 Cb 1.55 2.47 -0.14 0.00 -1.52 0.00 0.00 31.29 33.65 2k6b h VAL 47 CO 0.02 0.74 -0.52 -0.76 0.02 0.00 0.00 177.57 177.08 2k6b s LEU 48 N -7.30 4.04 0.84 2.57 1.43 0.90 0.61 118.68 121.77 2k6b s LEU 48 Ca -0.23 0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 52.90 2k6b s LEU 48 Cb 0.06 -2.04 0.10 0.00 0.03 0.00 0.00 46.19 44.35 2k6b s LEU 48 CO 0.73 0.17 1.19 -0.67 0.23 0.00 0.00 176.35 178.00 2k6b n ASP 49 N 3.59 0.84 -0.30 2.29 2.03 -0.01 -4.50 116.55 120.49 2k6b n ASP 49 Ca -0.16 0.54 0.22 0.00 0.52 0.00 0.00 54.79 55.90 2k6b n ASP 49 Cb 0.52 -1.50 0.51 0.00 -0.72 0.00 0.00 41.12 39.93 2k6b n ASP 49 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2k6b h GLN 50 N -1.20 0.39 -0.10 -0.67 4.20 -1.89 0.22 115.11 116.07 2k6b h GLN 50 Ca -0.45 -0.02 -0.21 0.00 0.06 0.00 0.00 58.65 58.03 2k6b h GLN 50 Cb 1.29 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.99 2k6b h GLN 50 CO 0.44 0.26 -0.78 0.77 -0.67 0.00 0.00 178.83 178.85 2k6b h SER 51 N 0.40 0.70 -0.03 1.46 0.02 -1.92 -2.71 113.55 111.46 2k6b h SER 51 Ca 0.55 -0.47 -0.18 0.00 -0.84 0.00 0.00 61.79 60.85 2k6b h SER 51 Cb 1.39 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 2k6b h SER 51 CO -0.24 1.24 -0.60 0.00 -1.14 0.00 0.00 176.83 176.09 2k6b h ALA 52 N 0.74 0.58 -0.80 3.77 0.00 -1.09 -2.50 119.26 119.96 2k6b h ALA 52 Ca -0.05 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.34 2k6b h ALA 52 Cb 1.39 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 2k6b h ALA 52 CO 0.15 0.70 0.53 0.00 0.00 0.00 0.00 179.25 180.62 2k6b h ARG 53 N 0.48 1.03 -0.58 0.00 2.47 -0.65 0.15 114.38 117.28 2k6b h ARG 53 Ca -0.00 -0.06 -0.08 0.00 -1.26 0.00 0.00 59.98 58.58 2k6b h ARG 53 Cb 1.17 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 29.24 2k6b h ARG 53 CO 0.12 0.68 0.05 0.00 0.56 0.00 0.00 179.97 181.37 2k6b h ALA 54 N 1.51 0.77 -0.16 0.04 0.00 -1.23 -0.79 119.26 119.39 2k6b h ALA 54 Ca 0.30 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2k6b h ALA 54 Cb -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2k6b h ALA 54 CO -0.07 0.56 0.03 0.00 0.00 0.00 0.00 179.25 179.77 2k6b h ARG 55 N 0.88 0.27 -0.74 0.00 -0.00 -0.92 -2.13 114.38 111.72 2k6b h ARG 55 Ca 0.17 -0.07 0.05 0.00 -0.50 0.00 0.00 59.98 59.63 2k6b h ARG 55 Cb 0.48 -0.03 -0.06 0.00 0.00 0.00 0.00 29.97 30.37 2k6b h ARG 55 CO 0.02 0.43 0.44 1.25 0.00 0.00 0.00 179.97 182.11 2k6b h LEU 56 N 0.06 0.69 -0.72 3.04 5.85 -0.58 -0.98 115.31 122.68 2k6b h LEU 56 Ca 0.05 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 2k6b h LEU 56 Cb 0.29 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2k6b h LEU 56 CO 0.00 0.45 0.28 0.28 -0.34 0.00 0.00 178.44 179.12 2k6b h SER 57 N 0.83 1.00 -0.50 1.25 0.02 -1.04 -1.77 113.55 113.34 2k6b h SER 57 Ca 0.32 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 2k6b h SER 57 Cb 0.15 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 2k6b h SER 57 CO -0.16 0.90 0.12 -1.13 -1.14 0.00 0.00 176.83 175.41 2k6b h ASN 58 N 1.03 0.77 -0.55 3.07 -1.24 -0.66 -2.76 115.58 115.24 2k6b h ASN 58 Ca 0.24 -0.24 0.02 0.00 0.71 0.00 0.00 56.30 57.03 2k6b h ASN 58 Cb 0.22 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.04 2k6b h ASN 58 CO -0.02 0.80 0.36 -0.07 -1.29 0.00 0.00 177.43 177.22 2k6b h LEU 59 N 0.69 0.58 -2.69 0.34 -0.00 -0.90 -2.30 115.31 111.03 2k6b h LEU 59 Ca 0.16 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 58.02 2k6b h LEU 59 Cb 0.34 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 40.86 2k6b h LEU 59 CO 0.00 0.41 -0.01 0.00 -0.00 0.00 0.00 178.44 178.84 2k6b h ALA 60 N 1.67 1.17 0.00 1.53 0.00 -1.02 0.13 119.26 122.74 2k6b h ALA 60 Ca 0.21 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.87 2k6b h ALA 60 Cb 0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2k6b h ALA 60 CO -0.05 0.01 -1.70 1.28 0.00 0.00 0.00 179.25 178.78 2k6b n LEU 61 N -3.33 0.72 -0.11 0.00 4.32 -0.87 -4.23 117.00 113.50 2k6b n LEU 61 Ca -0.03 0.33 -0.20 0.00 -0.02 0.00 0.00 56.01 56.09 2k6b n LEU 61 Cb 0.10 0.18 -0.08 0.00 -1.62 0.00 0.00 43.42 41.99 2k6b n LEU 61 CO 0.23 0.30 -0.79 1.33 -1.22 0.00 0.00 177.39 177.24 2k6b n VAL 62 N -2.92 1.51 -3.49 4.08 0.24 -0.59 -4.81 118.33 112.36 2k6b n VAL 62 Ca -0.16 -0.08 -0.27 0.00 -2.04 0.00 0.00 64.34 61.79 2k6b n VAL 62 Cb 0.97 -2.09 -0.11 0.00 -1.47 0.00 0.00 33.84 31.15 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 -2.45 1.11 0.55 7.34 1.02 -0.07 -4.98 119.74 122.27 2k6b s LYS 63 Ca -0.30 -2.21 0.23 0.00 0.02 0.00 0.00 55.97 53.71 2k6b s LYS 63 Cb 0.08 -1.74 1.53 0.00 -0.52 0.00 0.00 37.83 37.18 2k6b s LYS 63 CO 0.48 -1.35 2.20 -1.35 -0.92 0.00 0.00 175.35 174.42 2k6b h PRO 64 N 5.79 0.00 -0.77 -1.68 0.11 -1.73 -1.30 132.00 132.41 2k6b h PRO 64 Ca 0.22 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.29 2k6b h PRO 64 Cb 0.89 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.97 2k6b h PRO 64 CO 0.42 0.00 0.32 0.93 -0.21 0.00 0.00 178.00 179.45 2k6b h GLU 65 N 0.00 1.13 0.00 1.05 3.07 -1.93 0.24 114.58 118.14 2k6b h GLU 65 Ca 0.00 -0.19 -0.19 0.00 -0.50 0.00 0.00 59.36 58.48 2k6b h GLU 65 Cb 0.01 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 27.70 2k6b h GLU 65 CO -0.00 0.91 -0.89 0.87 -1.40 0.00 0.00 179.01 178.50 2k6b h LYS 66 N 1.11 0.00 -0.32 2.33 1.79 -1.63 -0.94 116.57 118.90 2k6b h LYS 66 Ca 0.26 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.71 2k6b h LYS 66 Cb 0.19 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 2k6b h LYS 66 CO -0.02 0.89 0.13 1.15 -1.08 0.00 0.00 179.45 180.51 2k6b h THR 67 N 0.00 1.18 -0.36 -0.16 2.02 -0.95 0.55 112.91 115.19 2k6b h THR 67 Ca -0.01 -0.56 0.03 0.00 0.77 0.00 0.00 66.41 66.64 2k6b h THR 67 Cb 1.61 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.93 2k6b h THR 67 CO 0.12 0.20 0.17 0.50 0.37 0.00 0.00 175.52 176.87 2k6b h LYS 68 N 0.38 0.33 -0.34 6.66 1.63 -0.36 0.25 116.57 125.11 2k6b h LYS 68 Ca 0.11 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 2k6b h LYS 68 Cb 0.18 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.72 2k6b h LYS 68 CO -0.01 0.22 0.23 0.00 -3.45 0.00 0.00 179.45 176.44 2k6b h ALA 69 N 1.20 0.43 -0.25 5.00 0.00 -0.86 -0.20 119.26 124.58 2k6b h ALA 69 Ca 0.16 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 2k6b h ALA 69 Cb 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2k6b h ALA 69 CO -0.12 -0.10 -0.46 -0.39 0.00 0.00 0.00 179.25 178.18 2k6b h VAL 70 N 0.46 1.30 -0.23 0.00 -1.51 -0.55 -1.46 116.25 114.26 2k6b h VAL 70 Ca 0.13 -1.66 0.06 0.00 -1.23 0.00 0.00 66.70 63.99 2k6b h VAL 70 Cb -0.05 1.72 -0.06 0.00 -2.13 0.00 0.00 31.29 30.77 2k6b h VAL 70 CO -0.03 0.53 -0.15 -0.33 -1.23 0.00 0.00 177.57 176.36 2k6b h GLU 71 N 0.50 -0.13 -0.65 5.19 5.08 -0.33 0.15 114.58 124.38 2k6b h GLU 71 Ca 0.01 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2k6b h GLU 71 Cb 1.06 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 2k6b h GLU 71 CO 0.10 -0.09 0.43 -0.97 -1.00 0.00 0.00 179.01 177.49 2k6b h ASN 72 N -0.13 0.67 -0.25 1.42 -0.73 -1.02 0.40 115.58 115.95 2k6b h ASN 72 Ca 0.13 -0.01 -0.09 0.00 1.87 0.00 0.00 56.30 58.20 2k6b h ASN 72 Cb 0.33 -0.16 -0.00 0.00 0.27 0.00 0.00 38.32 38.76 2k6b h ASN 72 CO -0.32 0.47 -0.20 0.22 -0.37 0.00 0.00 177.43 177.23 2k6b h TYR 73 N 0.78 0.68 -0.48 0.67 5.03 0.01 -2.32 116.97 121.34 2k6b h TYR 73 Ca 0.26 -0.19 -0.08 0.00 2.58 0.00 0.00 58.73 61.30 2k6b h TYR 73 Cb 0.06 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.17 2k6b h TYR 73 CO -0.00 0.88 -0.01 -0.07 -1.32 0.00 0.00 178.16 177.64 2k6b h LEU 74 N 0.28 0.78 -0.50 2.82 -0.00 -0.07 0.61 115.31 119.24 2k6b h LEU 74 Ca 0.04 -0.19 0.06 0.00 -0.00 0.00 0.00 57.88 57.79 2k6b h LEU 74 Cb 0.75 -0.21 -0.05 0.00 -0.00 0.00 0.00 40.66 41.15 2k6b h LEU 74 CO 0.05 0.85 0.21 0.40 -0.00 0.00 0.00 178.44 179.95 2k6b h ILE 75 N 0.75 0.88 -0.61 1.22 2.04 -0.82 0.36 117.51 121.33 2k6b h ILE 75 Ca 0.14 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 2k6b h ILE 75 Cb 0.47 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 2k6b h ILE 75 CO 0.02 0.07 0.17 -0.61 0.00 0.00 0.00 178.15 177.81 2k6b h GLN 76 N 0.41 0.95 -0.42 2.37 -0.00 -0.95 -2.38 115.11 115.09 2k6b h GLN 76 Ca 0.23 -0.21 -0.14 0.00 -0.00 0.00 0.00 58.65 58.53 2k6b h GLN 76 Cb 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 27.54 2k6b h GLN 76 CO -0.21 0.86 -0.28 1.98 0.00 0.00 0.00 178.83 181.18 2k6b h MET 77 N 0.87 0.91 -0.14 1.69 4.05 -0.33 -2.84 114.93 119.15 2k6b h MET 77 Ca 0.19 -0.42 -0.01 0.00 -0.28 0.00 0.00 59.70 59.19 2k6b h MET 77 Cb 0.31 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 2k6b h MET 77 CO -0.00 1.07 0.04 0.00 0.23 0.00 0.00 176.91 178.25 2k6b h ALA 78 N 0.90 1.81 0.00 0.39 0.00 -0.09 -1.77 119.26 120.50 2k6b h ALA 78 Ca 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2k6b h ALA 78 Cb 0.85 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2k6b h ALA 78 CO 0.07 0.15 -0.01 -0.09 0.00 0.00 0.00 179.25 179.38 2k6b h ARG 79 N 0.19 0.00 0.00 0.00 9.65 -1.17 0.10 114.38 123.15 2k6b h ARG 79 Ca 0.05 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 2k6b h ARG 79 Cb 0.07 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 2k6b h ARG 79 CO -0.00 0.01 0.00 1.88 2.80 0.00 0.00 179.97 184.65 2k6b h TYR 80 N 0.00 0.00 -4.87 2.20 0.05 -1.44 -3.47 116.97 109.44 2k6b h TYR 80 Ca -0.00 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.46 2k6b h TYR 80 Cb 0.02 0.00 0.11 0.00 1.01 0.00 0.00 36.73 37.87 2k6b h TYR 80 CO 0.00 0.00 -0.54 0.41 -1.05 0.00 0.00 178.16 176.98 2k6b n GLY 81 N 0.89 -0.25 0.74 3.88 0.00 0.02 -4.90 105.19 105.57 2k6b n GLY 81 Ca 0.03 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.11 1.82 -2.74 1.61 6.02 -1.26 -4.82 117.38 113.90 2k6b n GLN 82 Ca 0.01 -1.51 -0.42 0.00 -0.01 0.00 0.00 57.00 55.06 2k6b n GLN 82 Cb 0.55 -1.44 -0.03 0.00 1.02 0.00 0.00 30.24 30.34 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 -2.12 4.27 0.10 1.08 2.01 -1.26 -4.57 118.68 118.19 2k6b s LEU 83 Ca 0.23 -1.74 0.23 0.00 0.01 0.00 0.00 54.13 52.86 2k6b s LEU 83 Cb 0.18 -2.49 0.00 0.00 0.01 0.00 0.00 46.19 43.90 2k6b s LEU 83 CO 0.39 -1.29 0.98 -1.20 1.01 0.00 0.00 176.35 176.24 2k6b n SER 84 N 7.73 0.61 -4.14 2.29 7.64 -1.26 -4.87 113.62 121.63 2k6b n SER 84 Ca 0.28 0.04 -0.10 0.00 1.01 0.00 0.00 58.87 60.10 2k6b n SER 84 Cb 0.50 0.79 -0.10 0.00 -1.01 0.00 0.00 64.21 64.39 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 -3.30 0.75 0.44 1.43 2.02 -1.26 -5.14 118.70 113.64 2k6b s GLU 85 Ca 0.01 -1.24 -0.14 0.00 0.02 0.00 0.00 54.97 53.62 2k6b s GLU 85 Cb 0.13 -0.14 -0.08 0.00 0.10 0.00 0.00 34.13 34.14 2k6b s GLU 85 CO 0.81 -0.03 0.86 0.15 0.02 0.00 0.00 175.26 177.07 2k6b s LYS 86 N -3.54 3.91 0.07 1.61 1.02 -1.26 -4.92 119.74 116.62 2k6b s LYS 86 Ca 0.08 0.73 -0.30 0.00 0.02 0.00 0.00 55.97 56.50 2k6b s LYS 86 Cb 0.04 -2.28 -0.05 0.00 -0.52 0.00 0.00 37.83 35.02 2k6b s LYS 86 CO -0.05 -0.10 1.05 0.08 -0.92 0.00 0.00 175.35 175.41 2k6b s VAL 87 N -2.41 4.42 0.87 3.17 1.01 0.20 -4.67 120.40 122.99 2k6b s VAL 87 Ca 0.55 1.85 -0.09 0.00 0.00 0.00 0.00 61.98 64.29 2k6b s VAL 87 Cb -0.10 -4.18 0.18 0.00 0.00 0.00 0.00 36.38 32.28 2k6b s VAL 87 CO 0.28 0.20 1.19 -0.44 0.00 0.00 0.00 175.10 176.33 2k6b s SER 88 N 0.61 3.52 0.16 3.32 0.01 -1.26 -0.82 113.70 119.24 2k6b s SER 88 Ca 0.52 -0.16 -0.15 0.00 1.31 0.00 0.00 55.95 57.46 2k6b s SER 88 Cb -0.25 0.04 0.10 0.00 0.21 0.00 0.00 66.02 66.13 2k6b s SER 88 CO 0.30 -2.44 1.72 -0.33 0.41 0.00 0.00 173.24 172.91 2k6b h GLU 89 N -1.18 0.19 -0.32 12.44 5.08 -1.93 -1.42 114.58 127.44 2k6b h GLU 89 Ca -0.39 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.01 2k6b h GLU 89 Cb 1.24 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.40 2k6b h GLU 89 CO 0.35 0.13 0.03 1.96 -1.00 0.00 0.00 179.01 180.47 2k6b h GLN 90 N 0.20 0.12 -0.51 2.33 7.50 -1.98 0.17 115.11 122.94 2k6b h GLN 90 Ca 0.19 -0.01 -0.06 0.00 0.50 0.00 0.00 58.65 59.28 2k6b h GLN 90 Cb 0.23 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.71 2k6b h GLN 90 CO -0.26 0.08 0.10 0.78 -1.50 0.00 0.00 178.83 178.04 2k6b h GLY 91 N 0.13 0.90 0.97 3.46 0.00 -1.84 -0.03 103.07 106.66 2k6b h GLY 91 Ca 0.15 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 2k6b h GLY 91 CO -0.24 0.54 0.17 -2.00 0.00 0.00 0.00 176.54 175.02 2k6b h LEU 92 N 0.72 0.71 -1.15 3.11 5.85 -0.71 -1.47 115.31 122.36 2k6b h LEU 92 Ca 0.16 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 2k6b h LEU 92 Cb 0.37 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2k6b h LEU 92 CO 0.01 0.71 -0.07 0.40 -0.34 0.00 0.00 178.44 179.15 2k6b h ILE 93 N 0.67 1.21 -0.56 4.05 2.04 -0.44 0.14 117.51 124.62 2k6b h ILE 93 Ca 0.16 -0.91 -0.08 0.00 1.00 0.00 0.00 64.86 65.03 2k6b h ILE 93 Cb 0.24 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 2k6b h ILE 93 CO -0.01 0.30 0.01 -0.33 0.00 0.00 0.00 178.15 178.13 2k6b h GLU 94 N 0.48 0.96 -0.42 2.37 5.08 -0.61 0.19 114.58 122.62 2k6b h GLU 94 Ca 0.10 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 58.08 2k6b h GLU 94 Cb 0.42 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2k6b h GLU 94 CO 0.02 0.94 -0.13 0.82 -1.00 0.00 0.00 179.01 179.65 2k6b h ILE 95 N 0.88 1.26 -0.14 3.13 2.04 -0.41 0.15 117.51 124.43 2k6b h ILE 95 Ca 0.17 -1.20 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 2k6b h ILE 95 Cb 0.50 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 2k6b h ILE 95 CO 0.02 0.41 0.07 0.25 0.00 0.00 0.00 178.15 178.90 2k6b h LEU 96 N 0.70 0.18 -0.66 1.44 5.85 -0.26 0.41 115.31 122.97 2k6b h LEU 96 Ca 0.11 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.75 2k6b h LEU 96 Cb 0.62 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 2k6b h LEU 96 CO 0.04 0.23 0.42 0.11 -0.34 0.00 0.00 178.44 178.90 2k6b h LYS 97 N 0.11 0.80 -0.08 1.25 1.57 -0.38 -1.00 116.57 118.84 2k6b h LYS 97 Ca 0.05 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k6b h LYS 97 Cb 0.10 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2k6b h LYS 97 CO -0.01 0.53 0.05 -0.22 -0.57 0.00 0.00 179.45 179.23 2k6b h LYS 98 N 0.83 0.10 0.00 3.15 3.64 -0.35 0.44 116.57 124.37 2k6b h LYS 98 Ca 0.26 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2k6b h LYS 98 Cb -0.02 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2k6b h LYS 98 CO -0.09 0.07 0.00 -0.39 -2.27 0.00 0.00 179.45 176.77 2k6b h VAL 99 N 0.10 0.00 0.00 2.00 -1.51 -0.67 0.19 116.25 116.37 2k6b h VAL 99 Ca 0.03 -0.57 -0.09 0.00 -1.23 0.00 0.00 66.70 64.84 2k6b h VAL 99 Cb -0.01 1.53 -0.01 0.00 -2.13 0.00 0.00 31.29 30.67 2k6b h VAL 99 CO -0.01 0.00 -0.50 -1.28 -1.23 0.00 0.00 177.57 174.55 2k6b h SER 100 N 0.00 0.00 0.16 4.19 0.87 -0.73 -3.25 113.55 114.78 2k6b h SER 100 Ca 0.00 -0.76 -0.01 0.00 -1.23 0.00 0.00 61.79 59.79 2k6b h SER 100 Cb 0.61 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 2k6b h SER 100 CO 0.00 1.17 -0.07 -0.61 -0.53 0.00 0.00 176.83 176.79 2k6b h GLN 101 N -1.00 -0.20 0.08 2.24 5.75 -0.08 -3.38 115.11 118.52 2k6b h GLN 101 Ca -0.14 0.01 -0.35 0.00 -0.15 0.00 0.00 58.65 58.03 2k6b h GLN 101 Cb 1.08 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.65 2k6b h GLN 101 CO -0.08 0.03 -1.95 1.04 -2.65 0.00 0.00 178.83 175.21 2k6b n GLN 102 N -4.90 0.72 -2.52 1.69 6.02 -0.41 -5.03 117.38 112.94 2k6b n GLN 102 Ca -0.05 0.26 -0.03 0.00 -0.01 0.00 0.00 57.00 57.17 2k6b n GLN 102 Cb 0.16 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 29.71 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 -3.33 -8.09 -3.19 5.09 -1.04 0.54 -4.96 114.28 99.30 2k6b n THR 103 Ca -0.29 0.30 -0.45 0.00 -2.04 0.00 0.00 64.05 61.57 2k6b n THR 103 Cb 1.05 -6.19 -0.04 0.00 -1.82 0.00 0.00 70.33 63.33 2k6b n THR 103 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2k6b s GLU 104 N -2.50 3.10 -0.05 -2.82 2.12 -1.25 -4.98 118.70 112.32 2k6b s GLU 104 Ca 0.10 -1.58 -0.00 0.00 0.36 0.00 0.00 54.97 53.85 2k6b s GLU 104 Cb -0.03 -4.32 0.03 0.00 0.26 0.00 0.00 34.13 30.07 2k6b s GLU 104 CO 0.54 -1.46 -0.00 0.15 -0.54 0.00 0.00 175.26 173.95 2k6b s LYS 105 N 2.08 0.47 -1.26 4.30 -0.14 -1.26 -4.89 119.74 119.04 2k6b s LYS 105 Ca 0.10 0.09 -0.11 0.00 -1.36 0.00 0.00 55.97 54.69 2k6b s LYS 105 Cb -0.24 -0.74 0.17 0.00 -1.68 0.00 0.00 37.83 35.33 2k6b s LYS 105 CO 0.03 -0.21 1.76 2.41 -0.76 0.00 0.00 175.35 178.57 2k6b n THR 106 N 4.65 4.30 -3.25 2.17 -1.04 -1.26 -4.67 114.28 115.18 2k6b n THR 106 Ca -0.16 -4.47 -0.05 0.00 -2.04 0.00 0.00 64.05 57.33 2k6b n THR 106 Cb 0.50 -2.39 -0.04 0.00 -1.82 0.00 0.00 70.33 66.59 2k6b n THR 106 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2k6b s THR 107 N 0.80 -0.76 -0.63 12.58 2.01 -1.26 -4.98 115.64 123.40 2k6b s THR 107 Ca 0.41 -0.26 -0.22 0.00 0.31 0.00 0.00 61.69 61.93 2k6b s THR 107 Cb 0.06 -0.74 0.08 0.00 0.01 0.00 0.00 72.50 71.90 2k6b s THR 107 CO 0.00 -0.20 0.89 -0.89 -0.69 0.00 0.00 174.62 173.74 2k6b s THR 108 N 2.31 4.46 0.00 -0.82 2.01 -1.26 -4.64 115.64 117.70 2k6b s THR 108 Ca 0.12 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.63 2k6b s THR 108 Cb -0.10 -4.62 0.00 0.00 0.01 0.00 0.00 72.50 67.78 2k6b s THR 108 CO -0.20 -1.34 0.00 0.52 -0.69 0.00 0.00 174.62 172.90 2k6b n VAL 109 N 5.84 0.00 -3.86 3.82 0.31 -1.26 -4.63 118.33 118.54 2k6b n VAL 109 Ca -0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.17 2k6b n VAL 109 Cb 0.45 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.27 2k6b n VAL 109 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2k6b s LYS 110 N 0.00 0.41 0.00 5.55 2.20 -1.26 -5.09 119.74 121.55 2k6b s LYS 110 Ca 0.00 -0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.36 2k6b s LYS 110 Cb 0.00 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 2k6b s LYS 110 CO 0.00 -0.09 0.38 0.34 -0.36 0.00 0.00 175.35 175.62 2k6b n PHE 111 N 1.83 0.00 -1.01 4.03 7.35 -1.26 -4.98 117.46 123.42 2k6b n PHE 111 Ca -0.20 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.49 2k6b n PHE 111 Cb 0.56 -0.38 0.00 0.00 0.35 0.00 0.00 39.48 40.01 2k6b n PHE 111 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29