#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 6.03 0.18 1.61 0.01 -1.26 -4.88 113.70 115.39 2k6b s SER 1 Ca 0.00 2.14 -0.15 0.00 1.31 0.00 0.00 55.95 59.25 2k6b s SER 1 Cb 0.00 -2.52 0.16 0.00 0.21 0.00 0.00 66.02 63.87 2k6b s SER 1 CO 0.00 -1.47 1.68 0.00 0.41 0.00 0.00 173.24 173.86 2k6b h ALA 2 N 12.45 0.41 -0.22 1.44 0.00 -2.05 0.38 119.26 131.67 2k6b h ALA 2 Ca -0.43 0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 2k6b h ALA 2 Cb 1.22 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2k6b h ALA 2 CO 0.96 -0.40 -0.31 0.38 0.00 0.00 0.00 179.25 179.88 2k6b h ASP 3 N 0.09 0.47 -0.00 0.00 2.03 -1.99 -1.23 116.42 115.78 2k6b h ASP 3 Ca 0.23 -0.18 -0.00 0.00 -0.73 0.00 0.00 57.03 56.36 2k6b h ASP 3 Cb 0.35 -0.13 -0.00 0.00 -0.83 0.00 0.00 39.33 38.72 2k6b h ASP 3 CO -0.41 0.76 -0.01 -0.08 -1.03 0.00 0.00 179.24 178.47 2k6b h GLU 4 N 0.40 0.01 -0.53 4.15 4.22 -1.73 -2.48 114.58 118.62 2k6b h GLU 4 Ca 0.05 -0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.53 2k6b h GLU 4 Cb 0.75 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 2k6b h GLU 4 CO 0.06 0.55 0.27 0.93 -2.18 0.00 0.00 179.01 178.63 2k6b h GLU 5 N -0.52 0.50 0.07 1.92 4.39 -0.83 0.16 114.58 120.27 2k6b h GLU 5 Ca 0.00 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.69 2k6b h GLU 5 Cb 0.54 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 2k6b h GLU 5 CO 0.00 0.33 -0.25 1.25 -1.16 0.00 0.00 179.01 179.18 2k6b h LEU 6 N 0.51 -0.72 -0.73 1.33 7.12 -1.22 -0.85 115.31 120.75 2k6b h LEU 6 Ca 0.24 0.09 -0.09 0.00 0.13 0.00 0.00 57.88 58.25 2k6b h LEU 6 Cb 0.15 0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 40.54 2k6b h LEU 6 CO -0.17 -0.33 0.01 -0.33 -0.13 0.00 0.00 178.44 177.50 2k6b h GLU 7 N -0.43 0.99 -0.46 1.25 5.08 -1.01 0.22 114.58 120.23 2k6b h GLU 7 Ca 0.04 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2k6b h GLU 7 Cb 0.47 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2k6b h GLU 7 CO -0.17 0.96 0.29 0.00 -1.00 0.00 0.00 179.01 179.09 2k6b h ALA 8 N 1.09 0.58 -0.03 3.43 0.00 -0.53 0.20 119.26 124.00 2k6b h ALA 8 Ca 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2k6b h ALA 8 Cb 0.51 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2k6b h ALA 8 CO 0.02 -0.01 -0.13 -0.07 0.00 0.00 0.00 179.25 179.07 2k6b h LEU 9 N 0.58 0.16 -0.76 0.00 3.38 -0.97 -3.28 115.31 114.43 2k6b h LEU 9 Ca 0.17 -0.65 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 2k6b h LEU 9 Cb -0.03 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2k6b h LEU 9 CO -0.06 0.79 0.27 -0.09 0.09 0.00 0.00 178.44 179.44 2k6b h ARG 10 N -0.45 1.16 -0.02 1.13 2.43 -0.36 -1.38 114.38 116.88 2k6b h ARG 10 Ca -0.01 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 58.88 2k6b h ARG 10 Cb 0.78 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2k6b h ARG 10 CO 0.03 0.96 -0.24 0.00 -1.51 0.00 0.00 179.97 179.22 2k6b h ARG 11 N 1.11 0.03 -0.00 0.20 3.08 -0.73 0.32 114.38 118.38 2k6b h ARG 11 Ca 0.25 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 2k6b h ARG 11 Cb 0.27 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2k6b h ARG 11 CO -0.01 0.26 -0.03 0.37 -1.07 0.00 0.00 179.97 179.49 2k6b h GLN 12 N 0.03 0.02 -0.54 0.04 4.15 -1.52 -2.74 115.11 114.54 2k6b h GLN 12 Ca 0.00 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.43 2k6b h GLN 12 Cb 0.43 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 2k6b h GLN 12 CO 0.03 0.75 0.36 -0.09 -1.93 0.00 0.00 178.83 177.95 2k6b h ARG 13 N -0.70 0.60 -0.29 1.69 9.65 -0.77 -1.07 114.38 123.49 2k6b h ARG 13 Ca -0.00 -0.04 -0.18 0.00 -1.10 0.00 0.00 59.98 58.67 2k6b h ARG 13 Cb 0.76 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 29.20 2k6b h ARG 13 CO 0.01 0.40 -0.51 1.25 2.80 0.00 0.00 179.97 183.92 2k6b h LEU 14 N 0.62 0.92 -0.88 3.80 7.12 -0.45 -2.44 115.31 124.00 2k6b h LEU 14 Ca 0.22 -0.47 -0.05 0.00 0.13 0.00 0.00 57.88 57.71 2k6b h LEU 14 Cb 0.10 -0.26 -0.03 0.00 -0.53 0.00 0.00 40.66 39.94 2k6b h LEU 14 CO -0.06 1.26 0.25 0.00 -0.13 0.00 0.00 178.44 179.76 2k6b h ALA 15 N 0.76 1.10 -0.18 1.25 0.00 -0.91 0.14 119.26 121.43 2k6b h ALA 15 Ca 0.02 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.76 2k6b h ALA 15 Cb 1.10 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2k6b h ALA 15 CO 0.11 0.63 0.00 0.93 0.00 0.00 0.00 179.25 180.92 2k6b h GLU 16 N 1.04 0.06 -0.21 0.00 4.39 -1.25 -2.76 114.58 115.86 2k6b h GLU 16 Ca 0.24 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.90 2k6b h GLU 16 Cb 0.25 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2k6b h GLU 16 CO -0.01 0.04 -0.01 1.25 -1.16 0.00 0.00 179.01 179.12 2k6b h LEU 17 N 0.06 0.36 -0.63 1.33 7.12 -0.92 -3.12 115.31 119.51 2k6b h LEU 17 Ca 0.08 -0.32 0.13 0.00 0.13 0.00 0.00 57.88 57.91 2k6b h LEU 17 Cb 0.10 -0.10 -0.12 0.00 -0.53 0.00 0.00 40.66 40.02 2k6b h LEU 17 CO -0.14 0.59 -0.11 -0.61 -0.13 0.00 0.00 178.44 178.04 2k6b h GLN 18 N 0.12 0.03 0.00 1.25 4.15 -0.64 -3.44 115.11 116.59 2k6b h GLN 18 Ca 0.06 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 2k6b h GLN 18 Cb 0.41 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.09 2k6b h GLN 18 CO 0.01 0.02 0.00 0.00 -1.93 0.00 0.00 178.83 176.93 2k6b n ALA 19 N -2.99 0.00 -0.04 3.38 0.00 -1.05 -4.98 120.51 114.84 2k6b n ALA 19 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.32 2k6b n ALA 19 Cb 0.34 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.66 2k6b n ALA 19 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2k6b h LYS 20 N 0.00 0.12 0.00 0.00 1.63 -1.77 -3.43 116.57 113.12 2k6b h LYS 20 Ca 0.00 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.59 2k6b h LYS 20 Cb 0.00 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 2k6b h LYS 20 CO 0.00 1.10 0.00 1.58 -3.45 0.00 0.00 179.45 178.68 2k6b n HIS 21 N -4.22 0.00 0.66 1.91 -0.00 -1.26 -4.99 115.22 107.32 2k6b n HIS 21 Ca -0.24 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.55 2k6b n HIS 21 Cb 0.75 0.00 0.35 0.00 -0.00 0.00 0.00 29.99 31.09 2k6b n HIS 21 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2k6b n GLY 22 N 0.00 -0.75 3.70 1.57 0.00 -1.26 -4.58 105.19 103.88 2k6b n GLY 22 Ca 0.00 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 2k6b n GLY 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k6b s ASP 23 N -2.57 6.22 0.50 1.61 -1.08 -1.26 -4.98 116.67 115.10 2k6b s ASP 23 Ca 0.13 0.24 0.33 0.00 -0.52 0.00 0.00 52.55 52.73 2k6b s ASP 23 Cb 0.09 -2.11 1.46 0.00 -1.46 0.00 0.00 42.92 40.89 2k6b s ASP 23 CO 0.21 0.11 1.98 1.55 0.52 0.00 0.00 175.17 179.54 2k6b h PRO 24 N 7.01 0.00 -0.39 4.34 0.13 -1.99 -3.46 132.00 137.63 2k6b h PRO 24 Ca -0.40 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.61 2k6b h PRO 24 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 2k6b h PRO 24 CO 0.72 0.00 -0.12 0.41 -0.23 0.00 0.00 178.00 178.78 2k6b n GLY 25 N -0.23 0.74 0.19 1.56 0.00 -1.26 -4.91 105.19 101.28 2k6b n GLY 25 Ca 0.00 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 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 0.73 0.35 1.61 3.58 -1.99 -1.81 116.42 118.88 2k6b h ASP 26 Ca -0.13 -0.52 -0.07 0.00 0.42 0.00 0.00 57.03 56.73 2k6b h ASP 26 Cb 0.52 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 2k6b h ASP 26 CO 0.19 1.31 -0.31 0.00 -2.88 0.00 0.00 179.24 177.54 2k6b h ALA 27 N 0.67 1.42 -0.36 -0.78 0.00 -1.99 0.14 119.26 118.36 2k6b h ALA 27 Ca -0.07 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 2k6b h ALA 27 Cb 1.48 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2k6b h ALA 27 CO 0.16 0.39 -0.22 0.00 0.00 0.00 0.00 179.25 179.58 2k6b h ALA 28 N 1.69 0.52 -0.21 0.00 0.00 -1.85 -0.98 119.26 118.42 2k6b h ALA 28 Ca -0.00 -0.38 -0.17 0.00 0.00 0.00 0.00 54.91 54.36 2k6b h ALA 28 Cb 0.58 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2k6b h ALA 28 CO 0.04 0.49 -0.57 -0.56 0.00 0.00 0.00 179.25 178.65 2k6b h GLN 29 N 0.58 0.67 -0.42 0.00 3.07 -0.81 -1.46 115.11 116.75 2k6b h GLN 29 Ca 0.08 -0.43 0.02 0.00 0.09 0.00 0.00 58.65 58.41 2k6b h GLN 29 Cb 0.78 0.05 -0.03 0.00 0.08 0.00 0.00 27.48 28.36 2k6b h GLN 29 CO 0.06 1.05 0.23 1.96 0.09 0.00 0.00 178.83 182.23 2k6b h GLN 30 N 0.51 0.45 0.15 0.06 4.20 -0.91 0.25 115.11 119.82 2k6b h GLN 30 Ca 0.01 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2k6b h GLN 30 Cb 1.14 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.82 2k6b h GLN 30 CO 0.11 0.30 -0.07 1.49 -0.67 0.00 0.00 178.83 179.99 2k6b h GLU 31 N 0.47 -0.19 -0.91 1.46 4.81 -1.10 0.13 114.58 119.24 2k6b h GLU 31 Ca 0.17 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 2k6b h GLU 31 Cb 0.04 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 2k6b h GLU 31 CO -0.10 -0.04 0.50 0.00 -0.73 0.00 0.00 179.01 178.65 2k6b h ALA 32 N 0.54 1.17 -0.15 2.92 0.00 -1.07 -1.48 119.26 121.20 2k6b h ALA 32 Ca -0.02 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 2k6b h ALA 32 Cb 0.24 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2k6b h ALA 32 CO 0.03 0.67 -0.41 -0.22 0.00 0.00 0.00 179.25 179.32 2k6b h LYS 33 N 1.27 0.35 -0.70 0.00 1.63 -0.31 -0.64 116.57 118.16 2k6b h LYS 33 Ca 0.32 -0.17 -0.05 0.00 -0.85 0.00 0.00 60.65 59.90 2k6b h LYS 33 Cb 0.02 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.62 2k6b h LYS 33 CO -0.05 0.71 0.26 1.25 -3.45 0.00 0.00 179.45 178.16 2k6b h HIS 34 N 0.29 1.08 -0.68 1.91 2.76 -0.03 0.34 115.15 120.81 2k6b h HIS 34 Ca 0.03 -0.08 -0.07 0.00 -2.20 0.00 0.00 60.37 58.04 2k6b h HIS 34 Cb 0.85 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 29.46 2k6b h HIS 34 CO 0.02 0.83 0.15 0.00 -1.30 0.00 0.00 177.93 177.63 2k6b h ARG 35 N 1.03 1.11 -0.21 5.26 3.08 -0.65 -2.69 114.38 121.30 2k6b h ARG 35 Ca 0.23 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2k6b h ARG 35 Cb 0.23 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2k6b h ARG 35 CO -0.02 0.99 0.10 0.93 -1.07 0.00 0.00 179.97 180.90 2k6b h GLU 36 N 1.04 0.31 -0.41 0.04 5.08 -0.42 -2.90 114.58 117.32 2k6b h GLU 36 Ca 0.21 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.61 2k6b h GLU 36 Cb 0.40 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.50 2k6b h GLU 36 CO 0.01 0.34 -0.29 0.00 -1.00 0.00 0.00 179.01 178.07 2k6b h ALA 37 N 0.95 -0.08 -0.52 3.43 0.00 -0.03 0.81 119.26 123.83 2k6b h ALA 37 Ca 0.07 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2k6b h ALA 37 Cb 0.14 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2k6b h ALA 37 CO -0.01 -0.67 0.07 0.93 0.00 0.00 0.00 179.25 179.57 2k6b h GLU 38 N -0.21 0.82 -0.09 0.00 5.08 -1.56 0.09 114.58 118.70 2k6b h GLU 38 Ca 0.19 -0.19 -0.21 0.00 -1.00 0.00 0.00 59.36 58.14 2k6b h GLU 38 Cb 0.51 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.66 2k6b h GLU 38 CO -0.53 0.78 -0.78 0.52 -1.00 0.00 0.00 179.01 178.00 2k6b h MET 39 N 0.78 0.69 -0.34 2.33 2.86 -0.80 -3.12 114.93 117.32 2k6b h MET 39 Ca 0.16 -0.62 -0.02 0.00 -2.06 0.00 0.00 59.70 57.16 2k6b h MET 39 Cb 0.37 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 2k6b h MET 39 CO 0.01 1.23 0.12 0.00 1.06 0.00 0.00 176.91 179.32 2k6b h ARG 40 N 0.37 0.51 -0.68 1.72 2.47 0.67 -3.11 114.38 116.33 2k6b h ARG 40 Ca -0.07 -0.10 0.08 0.00 -1.26 0.00 0.00 59.98 58.63 2k6b h ARG 40 Cb 1.43 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 29.63 2k6b h ARG 40 CO 0.16 0.53 0.45 -0.97 0.56 0.00 0.00 179.97 180.70 2k6b h ASN 41 N 0.39 0.54 -0.11 7.04 -1.24 -0.98 0.26 115.58 121.47 2k6b h ASN 41 Ca 0.11 0.01 0.03 0.00 0.71 0.00 0.00 56.30 57.16 2k6b h ASN 41 Cb 0.22 -0.11 -0.04 0.00 0.73 0.00 0.00 38.32 39.13 2k6b h ASN 41 CO -0.01 0.33 -0.11 0.28 -1.29 0.00 0.00 177.43 176.64 2k6b h SER 42 N 0.61 -0.34 0.09 1.15 0.02 -1.48 0.12 113.55 113.72 2k6b h SER 42 Ca 0.31 0.07 -0.17 0.00 -0.84 0.00 0.00 61.79 61.15 2k6b h SER 42 Cb 0.40 0.17 0.02 0.00 0.14 0.00 0.00 62.40 63.13 2k6b h SER 42 CO -0.10 -0.15 -0.73 0.16 -1.14 0.00 0.00 176.83 174.88 2k6b h ILE 43 N -0.13 1.49 -0.77 3.27 -2.65 -1.56 -3.36 117.51 113.80 2k6b h ILE 43 Ca 0.08 -2.37 0.02 0.00 1.03 0.00 0.00 64.86 63.62 2k6b h ILE 43 Cb 0.25 2.99 -0.04 0.00 -2.05 0.00 0.00 36.82 37.97 2k6b h ILE 43 CO -0.19 0.68 0.50 -0.07 0.03 0.00 0.00 178.15 179.09 2k6b h LEU 44 N -0.29 0.85 -1.13 0.16 3.38 -0.35 -1.68 115.31 116.25 2k6b h LEU 44 Ca -0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2k6b h LEU 44 Cb 1.52 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2k6b h LEU 44 CO 0.14 0.60 0.00 0.00 0.09 0.00 0.00 178.44 179.27 2k6b h ALA 45 N 1.30 1.00 0.00 1.53 0.00 -0.94 0.34 119.26 122.49 2k6b h ALA 45 Ca 0.29 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 2k6b h ALA 45 Cb -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2k6b h ALA 45 CO -0.08 0.00 -1.05 1.96 0.00 0.00 0.00 179.25 180.07 2k6b h GLN 46 N 0.00 0.00 0.04 0.00 4.20 -1.45 -3.37 115.11 114.53 2k6b h GLN 46 Ca 0.00 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.33 2k6b h GLN 46 Cb 0.52 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.25 2k6b h GLN 46 CO 0.00 0.50 -2.24 1.33 -0.67 0.00 0.00 178.83 177.75 2k6b n VAL 47 N -3.10 1.60 -2.67 -0.54 0.24 -0.92 -4.86 118.33 108.08 2k6b n VAL 47 Ca -0.05 -0.55 -0.42 0.00 -2.04 0.00 0.00 64.34 61.28 2k6b n VAL 47 Cb 0.84 -1.62 -0.03 0.00 -1.47 0.00 0.00 33.84 31.57 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 -6.89 4.26 1.07 1.34 1.43 0.11 0.57 118.68 120.57 2k6b s LEU 48 Ca -0.31 1.56 -0.18 0.00 -1.03 0.00 0.00 54.13 54.17 2k6b s LEU 48 Cb 0.09 -3.56 0.25 0.00 0.03 0.00 0.00 46.19 43.00 2k6b s LEU 48 CO 0.65 -0.44 1.29 -0.62 0.23 0.00 0.00 176.35 177.45 2k6b s ASP 49 N 1.11 2.10 0.20 2.29 2.15 0.20 -4.61 116.67 120.12 2k6b s ASP 49 Ca 0.49 0.25 -0.15 0.00 0.43 0.00 0.00 52.55 53.57 2k6b s ASP 49 Cb -0.19 -0.24 0.19 0.00 -0.30 0.00 0.00 42.92 42.38 2k6b s ASP 49 CO 0.19 -3.36 1.63 -0.61 -0.17 0.00 0.00 175.17 172.85 2k6b h GLN 50 N -2.07 -0.02 0.00 4.34 5.75 -1.92 -0.98 115.11 120.21 2k6b h GLN 50 Ca -0.43 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.02 2k6b h GLN 50 Cb 1.23 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.78 2k6b h GLN 50 CO 0.30 -0.01 -0.34 0.77 -2.65 0.00 0.00 178.83 176.90 2k6b h SER 51 N -0.02 0.00 -0.12 -0.69 0.02 -1.94 -3.24 113.55 107.56 2k6b h SER 51 Ca 0.27 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.12 2k6b h SER 51 Cb 0.43 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2k6b h SER 51 CO -0.59 0.22 -0.24 0.00 -1.14 0.00 0.00 176.83 175.09 2k6b h ALA 52 N 1.78 1.05 -0.04 3.77 0.00 -1.45 0.19 119.26 124.56 2k6b h ALA 52 Ca -0.01 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 2k6b h ALA 52 Cb 1.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2k6b h ALA 52 CO 0.03 0.58 -0.60 0.00 0.00 0.00 0.00 179.25 179.25 2k6b h ARG 53 N 0.50 0.12 -0.28 0.00 -0.00 -1.55 0.98 114.38 114.14 2k6b h ARG 53 Ca 0.07 -0.08 -0.08 0.00 -0.50 0.00 0.00 59.98 59.39 2k6b h ARG 53 Cb 0.68 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.65 2k6b h ARG 53 CO 0.05 0.68 -0.13 0.00 0.00 0.00 0.00 179.97 180.57 2k6b h ALA 54 N 1.30 0.40 -0.50 0.04 0.00 -1.50 0.72 119.26 119.72 2k6b h ALA 54 Ca -0.01 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.65 2k6b h ALA 54 Cb 1.08 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 2k6b h ALA 54 CO 0.09 0.28 0.20 -0.09 0.00 0.00 0.00 179.25 179.72 2k6b h ARG 55 N 0.33 0.37 -0.25 0.00 9.65 -0.43 0.89 114.38 124.95 2k6b h ARG 55 Ca 0.06 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 2k6b h ARG 55 Cb 0.65 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.13 2k6b h ARG 55 CO 0.04 0.25 0.12 1.25 2.80 0.00 0.00 179.97 184.43 2k6b h LEU 56 N 0.39 0.33 -0.79 3.80 5.85 -0.57 0.50 115.31 124.81 2k6b h LEU 56 Ca 0.24 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 2k6b h LEU 56 Cb 0.23 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2k6b h LEU 56 CO -0.22 0.36 0.31 -1.28 -0.34 0.00 0.00 178.44 177.26 2k6b h SER 57 N 0.28 1.10 -0.44 1.25 0.87 -0.45 0.13 113.55 116.30 2k6b h SER 57 Ca 0.09 -0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.43 2k6b h SER 57 Cb 0.11 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 2k6b h SER 57 CO -0.01 0.98 0.12 -1.13 -0.53 0.00 0.00 176.83 176.26 2k6b h ASN 58 N 1.16 0.65 -0.75 6.23 -0.73 -0.62 -2.21 115.58 119.31 2k6b h ASN 58 Ca 0.26 -0.22 -0.05 0.00 1.87 0.00 0.00 56.30 58.17 2k6b h ASN 58 Cb 0.23 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.61 2k6b h ASN 58 CO -0.02 0.70 0.29 0.25 -0.37 0.00 0.00 177.43 178.28 2k6b h LEU 59 N 0.57 1.05 -1.58 0.34 7.12 -0.43 -2.39 115.31 119.99 2k6b h LEU 59 Ca 0.14 -0.18 -0.00 0.00 0.13 0.00 0.00 57.88 57.97 2k6b h LEU 59 Cb 0.30 -0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 40.14 2k6b h LEU 59 CO -0.00 0.95 0.21 0.00 -0.13 0.00 0.00 178.44 179.46 2k6b h ALA 60 N 1.15 1.69 -0.09 1.25 0.00 -0.40 0.91 119.26 123.77 2k6b h ALA 60 Ca 0.25 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 2k6b h ALA 60 Cb 0.23 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2k6b h ALA 60 CO -0.02 0.27 -0.42 -0.07 0.00 0.00 0.00 179.25 179.01 2k6b h LEU 61 N 0.49 0.52 0.24 0.00 3.38 -0.93 -3.27 115.31 115.74 2k6b h LEU 61 Ca 0.13 -0.65 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 2k6b h LEU 61 Cb -0.00 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2k6b h LEU 61 CO -0.02 1.08 -0.11 -0.37 0.09 0.00 0.00 178.44 179.10 2k6b h VAL 62 N -0.01 0.05 -2.80 1.22 -1.51 -0.99 -3.43 116.25 108.77 2k6b h VAL 62 Ca -0.03 -0.79 -0.59 0.00 -1.23 0.00 0.00 66.70 64.07 2k6b h VAL 62 Cb 1.07 0.08 -0.40 0.00 -2.13 0.00 0.00 31.29 29.91 2k6b h VAL 62 CO 0.09 0.01 -0.80 -0.54 -1.23 0.00 0.00 177.57 175.10 2k6b s LYS 63 N -2.63 0.76 0.19 5.19 3.01 0.27 -4.97 119.74 121.56 2k6b s LYS 63 Ca -0.05 -1.43 0.16 0.00 -1.01 0.00 0.00 55.97 53.64 2k6b s LYS 63 Cb 0.00 -1.69 0.79 0.00 -1.01 0.00 0.00 37.83 35.92 2k6b s LYS 63 CO 0.16 -1.15 1.50 -2.30 0.51 0.00 0.00 175.35 174.07 2k6b n PRO 64 N 4.10 0.10 -0.11 -1.68 -0.02 -1.23 -2.27 135.00 133.89 2k6b n PRO 64 Ca 0.07 0.49 -0.10 0.00 -2.02 0.00 0.00 63.50 61.95 2k6b n PRO 64 Cb 0.37 -1.77 0.04 0.00 -0.02 0.00 0.00 33.50 32.13 2k6b n PRO 64 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k6b h GLU 65 N 0.00 0.86 0.01 -0.52 3.07 -1.91 0.01 114.58 116.10 2k6b h GLU 65 Ca 0.00 -0.38 -0.21 0.00 -0.50 0.00 0.00 59.36 58.27 2k6b h GLU 65 Cb 0.13 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.99 2k6b h GLU 65 CO 0.00 1.02 -1.00 0.87 -1.40 0.00 0.00 179.01 178.50 2k6b h LYS 66 N 0.74 0.03 -0.80 2.33 1.79 -1.83 -3.17 116.57 115.66 2k6b h LYS 66 Ca 0.09 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.49 2k6b h LYS 66 Cb 0.80 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.43 2k6b h LYS 66 CO 0.07 1.00 0.40 1.15 -1.08 0.00 0.00 179.45 180.98 2k6b h THR 67 N 0.01 1.25 -0.62 -0.16 2.02 -1.43 -0.15 112.91 113.83 2k6b h THR 67 Ca -0.02 -0.69 0.10 0.00 0.77 0.00 0.00 66.41 66.57 2k6b h THR 67 Cb 1.74 0.22 -0.08 0.00 -1.74 0.00 0.00 68.15 68.30 2k6b h THR 67 CO 0.13 0.30 0.23 0.50 0.37 0.00 0.00 175.52 177.04 2k6b h LYS 68 N 1.13 0.39 0.06 6.66 1.63 -0.98 0.23 116.57 125.69 2k6b h LYS 68 Ca 0.28 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 60.05 2k6b h LYS 68 Cb 0.10 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 2k6b h LYS 68 CO -0.04 0.26 -0.03 0.00 -3.45 0.00 0.00 179.45 176.19 2k6b h ALA 69 N 1.43 -0.07 -0.75 5.00 0.00 -1.42 -2.86 119.26 120.58 2k6b h ALA 69 Ca 0.32 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2k6b h ALA 69 Cb 0.41 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2k6b h ALA 69 CO -0.32 -0.29 0.27 -0.39 0.00 0.00 0.00 179.25 178.52 2k6b h VAL 70 N -0.59 1.26 -0.04 0.00 -1.51 -0.68 0.75 116.25 115.45 2k6b h VAL 70 Ca -0.01 -0.85 0.03 0.00 -1.23 0.00 0.00 66.70 64.64 2k6b h VAL 70 Cb 0.51 0.39 -0.04 0.00 -2.13 0.00 0.00 31.29 30.02 2k6b h VAL 70 CO 0.01 0.34 -0.21 -0.33 -1.23 0.00 0.00 177.57 176.16 2k6b h GLU 71 N 1.11 -0.30 -0.32 5.19 5.08 -0.63 0.20 114.58 124.91 2k6b h GLU 71 Ca 0.25 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.67 2k6b h GLU 71 Cb 0.26 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2k6b h GLU 71 CO -0.01 -0.20 0.09 -0.97 -1.00 0.00 0.00 179.01 176.91 2k6b h ASN 72 N -0.31 0.07 -0.53 1.42 -0.73 -1.23 -0.31 115.58 113.96 2k6b h ASN 72 Ca 0.07 0.04 -0.07 0.00 1.87 0.00 0.00 56.30 58.22 2k6b h ASN 72 Cb 0.41 0.04 -0.02 0.00 0.27 0.00 0.00 38.32 39.02 2k6b h ASN 72 CO -0.22 0.07 0.07 0.22 -0.37 0.00 0.00 177.43 177.21 2k6b h TYR 73 N 0.21 0.94 -0.64 0.67 3.20 -0.34 0.50 116.97 121.51 2k6b h TYR 73 Ca 0.14 -0.14 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 2k6b h TYR 73 Cb 0.14 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 2k6b h TYR 73 CO -0.16 0.85 0.10 -0.07 -1.64 0.00 0.00 178.16 177.24 2k6b h LEU 74 N 0.76 1.03 -0.40 2.82 -0.00 -0.36 0.22 115.31 119.38 2k6b h LEU 74 Ca 0.16 -0.26 -0.00 0.00 -0.00 0.00 0.00 57.88 57.77 2k6b h LEU 74 Cb 0.42 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.79 2k6b h LEU 74 CO 0.01 1.03 0.23 0.40 -0.00 0.00 0.00 178.44 180.12 2k6b h ILE 75 N 0.98 1.14 -0.27 1.22 1.08 -0.67 0.26 117.51 121.24 2k6b h ILE 75 Ca 0.19 -0.33 -0.01 0.00 -0.39 0.00 0.00 64.86 64.33 2k6b h ILE 75 Cb 0.44 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 2k6b h ILE 75 CO 0.01 0.14 0.12 -0.61 -0.69 0.00 0.00 178.15 177.13 2k6b h GLN 76 N 0.52 0.39 -0.41 2.37 5.75 -0.68 -0.70 115.11 122.35 2k6b h GLN 76 Ca 0.14 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.60 2k6b h GLN 76 Cb 0.02 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 2k6b h GLN 76 CO -0.03 0.39 0.25 1.98 -2.65 0.00 0.00 178.83 178.77 2k6b h MET 77 N 0.30 0.48 -0.64 1.69 4.05 -0.24 -2.32 114.93 118.26 2k6b h MET 77 Ca 0.09 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.46 2k6b h MET 77 Cb 0.13 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.79 2k6b h MET 77 CO -0.01 0.32 0.29 0.00 0.23 0.00 0.00 176.91 177.74 2k6b h ALA 78 N 1.18 1.31 0.00 0.39 0.00 -0.25 -0.95 119.26 120.94 2k6b h ALA 78 Ca 0.16 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2k6b h ALA 78 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2k6b h ALA 78 CO -0.07 0.53 -0.33 0.00 0.00 0.00 0.00 179.25 179.38 2k6b h ARG 79 N 0.91 0.00 0.00 0.00 -0.00 -0.60 -2.39 114.38 112.29 2k6b h ARG 79 Ca 0.22 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.69 2k6b h ARG 79 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.09 2k6b h ARG 79 CO -0.03 0.33 -0.70 1.88 0.00 0.00 0.00 179.97 181.45 2k6b h TYR 80 N 0.00 0.00 -0.63 3.04 0.05 -0.96 -3.47 116.97 114.99 2k6b h TYR 80 Ca -0.00 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.60 2k6b h TYR 80 Cb 0.62 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.30 2k6b h TYR 80 CO 0.00 0.03 -0.18 0.41 -1.05 0.00 0.00 178.16 177.38 2k6b n GLY 81 N 1.17 0.79 1.07 3.88 0.00 -0.41 -4.88 105.19 106.81 2k6b n GLY 81 Ca 0.01 -0.61 -0.02 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.51 1.26 -2.62 1.61 10.64 -1.17 -4.87 117.38 119.72 2k6b n GLN 82 Ca -0.09 -0.43 -0.36 0.00 -1.83 0.00 0.00 57.00 54.28 2k6b n GLN 82 Cb 0.36 -1.26 -0.05 0.00 -0.86 0.00 0.00 30.24 28.44 2k6b n GLN 82 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2k6b s LEU 83 N -0.45 4.17 -0.34 2.61 2.01 -1.26 -5.02 118.68 120.40 2k6b s LEU 83 Ca 0.08 1.97 0.01 0.00 0.01 0.00 0.00 54.13 56.20 2k6b s LEU 83 Cb 0.07 -4.17 0.14 0.00 0.01 0.00 0.00 46.19 42.24 2k6b s LEU 83 CO 0.02 -0.38 0.30 -0.44 1.01 0.00 0.00 176.35 176.86 2k6b s SER 84 N -1.62 1.84 0.02 2.29 0.01 -1.26 -5.08 113.70 109.90 2k6b s SER 84 Ca 0.56 -1.48 0.00 0.00 1.31 0.00 0.00 55.95 56.34 2k6b s SER 84 Cb -0.20 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.31 2k6b s SER 84 CO 0.26 -0.32 0.00 1.21 0.41 0.00 0.00 173.24 174.80 2k6b n GLU 85 N 4.54 -0.12 -2.01 12.44 4.07 -1.26 -4.89 120.64 133.42 2k6b n GLU 85 Ca 0.07 0.09 -0.38 0.00 -0.06 0.00 0.00 57.16 56.88 2k6b n GLU 85 Cb 0.44 -0.14 0.02 0.00 -0.06 0.00 0.00 31.44 31.70 2k6b n GLU 85 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2k6b s LYS 86 N -2.59 3.41 -0.44 5.31 -0.14 -1.26 -4.95 119.74 119.08 2k6b s LYS 86 Ca 0.00 2.01 -0.27 0.00 -1.36 0.00 0.00 55.97 56.35 2k6b s LYS 86 Cb 0.00 -2.31 0.03 0.00 -1.68 0.00 0.00 37.83 33.87 2k6b s LYS 86 CO 0.00 -0.91 1.00 0.08 -0.76 0.00 0.00 175.35 174.76 2k6b s VAL 87 N -1.43 4.41 0.05 3.17 1.01 0.19 -4.86 120.40 122.95 2k6b s VAL 87 Ca 0.68 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.69 2k6b s VAL 87 Cb -0.35 -4.47 0.01 0.00 0.00 0.00 0.00 36.38 31.58 2k6b s VAL 87 CO 0.41 -0.81 0.07 -1.54 0.00 0.00 0.00 175.10 173.22 2k6b n SER 88 N 7.28 0.10 -0.16 3.32 3.41 -1.26 -0.63 113.62 125.68 2k6b n SER 88 Ca 0.08 -1.08 -0.02 0.00 -0.26 0.00 0.00 58.87 57.59 2k6b n SER 88 Cb 0.48 -0.04 0.20 0.00 -0.26 0.00 0.00 64.21 64.59 2k6b n SER 88 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2k6b h GLU 89 N 0.00 0.89 0.03 4.33 5.08 -1.91 0.25 114.58 123.24 2k6b h GLU 89 Ca -0.02 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2k6b h GLU 89 Cb 0.08 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2k6b h GLU 89 CO 0.02 0.73 -0.01 0.37 -1.00 0.00 0.00 179.01 179.12 2k6b h GLN 90 N 0.88 -0.03 -0.63 2.33 4.15 -1.98 0.20 115.11 120.03 2k6b h GLN 90 Ca 0.21 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.61 2k6b h GLN 90 Cb 0.18 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 2k6b h GLN 90 CO -0.02 0.04 0.31 0.78 -1.93 0.00 0.00 178.83 178.01 2k6b h GLY 91 N -0.09 0.96 1.21 2.39 0.00 -1.81 -0.01 103.07 105.72 2k6b h GLY 91 Ca -0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 46.74 2k6b h GLY 91 CO 0.01 0.44 -0.20 -2.00 0.00 0.00 0.00 176.54 174.79 2k6b h LEU 92 N 0.86 0.92 -0.93 3.11 5.85 -0.33 -0.73 115.31 124.07 2k6b h LEU 92 Ca 0.22 -0.34 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 2k6b h LEU 92 Cb 0.10 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 2k6b h LEU 92 CO -0.03 1.10 -0.02 0.40 -0.34 0.00 0.00 178.44 179.55 2k6b h ILE 93 N 0.79 1.24 -0.26 4.05 2.04 -0.31 0.34 117.51 125.42 2k6b h ILE 93 Ca 0.11 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 2k6b h ILE 93 Cb 0.75 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2k6b h ILE 93 CO 0.06 0.35 0.12 -0.08 0.00 0.00 0.00 178.15 178.60 2k6b h GLU 94 N 0.71 0.37 -0.56 2.37 4.57 -0.60 0.19 114.58 121.63 2k6b h GLU 94 Ca 0.14 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.20 2k6b h GLU 94 Cb 0.46 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 2k6b h GLU 94 CO 0.02 0.37 0.12 0.82 -1.18 0.00 0.00 179.01 179.17 2k6b h ILE 95 N 0.28 1.23 -0.76 2.32 2.04 -0.75 -0.91 117.51 120.95 2k6b h ILE 95 Ca 0.09 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 2k6b h ILE 95 Cb 0.13 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 2k6b h ILE 95 CO -0.01 0.32 0.42 0.25 0.00 0.00 0.00 178.15 179.13 2k6b h LEU 96 N 0.83 0.95 -0.33 1.44 5.85 0.19 -0.71 115.31 123.53 2k6b h LEU 96 Ca 0.18 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2k6b h LEU 96 Cb 0.32 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2k6b h LEU 96 CO 0.00 0.77 0.18 0.11 -0.34 0.00 0.00 178.44 179.16 2k6b h LYS 97 N 1.06 0.47 -0.54 1.25 1.79 0.03 0.13 116.57 120.75 2k6b h LYS 97 Ca 0.27 -0.06 0.08 0.00 -2.18 0.00 0.00 60.65 58.76 2k6b h LYS 97 Cb 0.03 -0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 30.53 2k6b h LYS 97 CO -0.04 0.39 0.20 0.87 -1.08 0.00 0.00 179.45 179.79 2k6b h LYS 98 N 0.41 0.37 0.00 3.15 1.57 -0.65 0.34 116.57 121.76 2k6b h LYS 98 Ca 0.12 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2k6b h LYS 98 Cb 0.07 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2k6b h LYS 98 CO -0.02 0.24 -0.22 -0.39 -0.57 0.00 0.00 179.45 178.50 2k6b h VAL 99 N 0.38 0.00 0.00 0.50 -1.51 -0.90 -0.35 116.25 114.37 2k6b h VAL 99 Ca 0.26 -0.90 -0.08 0.00 -1.23 0.00 0.00 66.70 64.75 2k6b h VAL 99 Cb 0.30 1.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.24 2k6b h VAL 99 CO -0.27 0.00 -0.60 0.28 -1.23 0.00 0.00 177.57 175.75 2k6b h SER 100 N 0.00 0.00 0.28 4.19 0.02 -0.04 -3.20 113.55 114.80 2k6b h SER 100 Ca 0.00 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 2k6b h SER 100 Cb 0.95 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.49 2k6b h SER 100 CO 0.00 1.01 -0.14 1.56 -1.14 0.00 0.00 176.83 178.12 2k6b h GLN 101 N -1.00 -0.36 0.00 3.45 4.20 -0.50 -3.35 115.11 117.55 2k6b h GLN 101 Ca -0.12 0.02 -0.19 0.00 0.06 0.00 0.00 58.65 58.42 2k6b h GLN 101 Cb 0.78 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.61 2k6b h GLN 101 CO -0.07 -0.02 -2.20 1.04 -0.67 0.00 0.00 178.83 176.91 2k6b n GLN 102 N -5.07 0.69 -2.60 1.46 6.02 -1.17 -5.03 117.38 111.68 2k6b n GLN 102 Ca -0.09 -0.10 -0.02 0.00 -0.01 0.00 0.00 57.00 56.78 2k6b n GLN 102 Cb 0.26 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.01 2k6b n GLN 102 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2k6b n THR 103 N -2.51 -8.12 -3.10 5.09 -1.04 -0.25 -4.97 114.28 99.38 2k6b n THR 103 Ca -0.19 0.12 -0.43 0.00 -2.04 0.00 0.00 64.05 61.50 2k6b n THR 103 Cb 0.88 -6.18 -0.07 0.00 -1.82 0.00 0.00 70.33 63.14 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 -2.72 3.26 0.13 -2.82 2.12 -0.57 -4.92 118.70 113.19 2k6b s GLU 104 Ca 0.06 -0.43 -0.18 0.00 0.36 0.00 0.00 54.97 54.78 2k6b s GLU 104 Cb -0.02 -3.98 0.05 0.00 0.26 0.00 0.00 34.13 30.44 2k6b s GLU 104 CO 0.56 -1.07 0.46 0.21 -0.54 0.00 0.00 175.26 174.88 2k6b s LYS 105 N 2.86 1.13 -1.05 4.30 2.20 -1.26 -4.58 119.74 123.34 2k6b s LYS 105 Ca 0.22 -0.63 -0.23 0.00 -0.36 0.00 0.00 55.97 54.97 2k6b s LYS 105 Cb -0.15 0.50 -0.04 0.00 -1.51 0.00 0.00 37.83 36.64 2k6b s LYS 105 CO 0.18 -0.46 1.87 0.99 -0.36 0.00 0.00 175.35 177.57 2k6b s THR 106 N -3.77 3.59 -0.25 3.43 2.01 -1.26 -4.80 115.64 114.59 2k6b s THR 106 Ca 0.02 -0.73 -0.18 0.00 0.31 0.00 0.00 61.69 61.11 2k6b s THR 106 Cb 0.01 -4.42 0.07 0.00 0.01 0.00 0.00 72.50 68.17 2k6b s THR 106 CO -0.12 -1.17 0.65 -0.89 -0.69 0.00 0.00 174.62 172.40 2k6b s THR 107 N 9.33 -0.00 0.11 -0.82 2.01 -1.26 -5.18 115.64 119.84 2k6b s THR 107 Ca 0.65 0.01 -0.21 0.00 0.31 0.00 0.00 61.69 62.45 2k6b s THR 107 Cb -0.03 -0.92 0.05 0.00 0.01 0.00 0.00 72.50 71.61 2k6b s THR 107 CO 0.04 0.00 0.52 0.28 -0.69 0.00 0.00 174.62 174.77 2k6b s THR 108 N 1.06 0.03 -0.10 -0.82 -1.32 -1.26 -5.07 115.64 108.16 2k6b s THR 108 Ca -0.06 -0.24 -0.02 0.00 -1.21 0.00 0.00 61.69 60.16 2k6b s THR 108 Cb -0.05 -1.04 -0.05 0.00 -1.51 0.00 0.00 72.50 69.84 2k6b s THR 108 CO -0.10 -0.13 -0.11 0.52 -2.21 0.00 0.00 174.62 172.59 2k6b n VAL 109 N -0.08 0.55 -4.06 5.08 0.31 -1.26 -5.03 118.33 113.83 2k6b n VAL 109 Ca -0.17 -0.17 -0.18 0.00 -0.01 0.00 0.00 64.34 63.81 2k6b n VAL 109 Cb 0.63 -1.25 -0.16 0.00 -0.91 0.00 0.00 33.84 32.15 2k6b n VAL 109 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2k6b s LYS 110 N -2.19 0.55 -0.18 5.55 1.02 -1.26 -4.99 119.74 118.24 2k6b s LYS 110 Ca -0.13 -0.03 -0.16 0.00 0.02 0.00 0.00 55.97 55.67 2k6b s LYS 110 Cb 0.04 -0.63 -0.21 0.00 -0.52 0.00 0.00 37.83 36.52 2k6b s LYS 110 CO 0.20 -0.08 0.22 1.19 -0.92 0.00 0.00 175.35 175.95 2k6b n PHE 111 N 3.96 1.01 0.75 3.18 3.72 -1.26 -5.26 117.46 123.56 2k6b n PHE 111 Ca -0.25 0.34 0.09 0.00 -0.05 0.00 0.00 57.45 57.58 2k6b n PHE 111 Cb 0.51 -1.11 0.07 0.00 -0.94 0.00 0.00 39.48 38.01 2k6b n PHE 111 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80