#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ic2 n ASP 2 N 0.00 1.48 -0.34 6.12 -0.08 -1.26 -4.79 116.55 117.67 1ic2 n ASP 2 Ca 0.00 1.09 -0.02 0.00 -1.51 0.00 0.00 54.79 54.35 1ic2 n ASP 2 Cb 0.00 -1.36 0.12 0.00 2.34 0.00 0.00 41.12 42.22 1ic2 n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ic2 h ALA 3 N 1.77 1.27 -0.55 -1.67 0.00 -2.06 -1.22 119.26 116.80 1ic2 h ALA 3 Ca -0.44 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 1ic2 h ALA 3 Cb 1.33 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1ic2 h ALA 3 CO 0.58 0.65 -0.08 0.82 0.00 0.00 0.00 179.25 181.22 1ic2 h ILE 4 N 1.29 1.27 -0.43 0.00 2.04 -1.99 -1.41 117.51 118.27 1ic2 h ILE 4 Ca 0.34 -1.23 -0.10 0.00 1.00 0.00 0.00 64.86 64.87 1ic2 h ILE 4 Cb -0.09 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1ic2 h ILE 4 CO -0.07 0.43 -0.15 0.50 0.00 0.00 0.00 178.15 178.87 1ic2 h LYS 5 N 0.89 0.80 -0.42 2.37 3.64 -1.85 -1.98 116.57 120.03 1ic2 h LYS 5 Ca 0.15 -0.29 -0.07 0.00 -1.27 0.00 0.00 60.65 59.17 1ic2 h LYS 5 Cb 0.64 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1ic2 h LYS 5 CO 0.04 0.90 -0.00 -0.22 -2.27 0.00 0.00 179.45 177.90 1ic2 h LYS 6 N 0.71 0.74 -0.84 1.90 1.63 -1.01 -1.89 116.57 117.82 1ic2 h LYS 6 Ca 0.11 -0.24 0.01 0.00 -0.85 0.00 0.00 60.65 59.69 1ic2 h LYS 6 Cb 0.65 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.17 1ic2 h LYS 6 CO 0.05 0.82 0.55 -0.22 -3.45 0.00 0.00 179.45 177.20 1ic2 h LYS 7 N 0.58 1.08 -0.67 1.90 1.63 -1.09 -1.39 116.57 118.61 1ic2 h LYS 7 Ca 0.12 -0.07 -0.07 0.00 -0.85 0.00 0.00 60.65 59.79 1ic2 h LYS 7 Cb 0.49 -0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 31.85 1ic2 h LYS 7 CO 0.02 0.72 0.15 0.52 -3.45 0.00 0.00 179.45 177.41 1ic2 h MET 8 N 1.12 1.07 -0.69 1.90 2.86 -1.20 -1.46 114.93 118.53 1ic2 h MET 8 Ca 0.31 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1ic2 h MET 8 Cb -0.10 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.38 1ic2 h MET 8 CO -0.08 0.95 0.36 0.37 1.06 0.00 0.00 176.91 179.58 1ic2 h GLN 9 N 1.01 0.97 -0.57 1.72 4.15 -0.74 -2.30 115.11 119.35 1ic2 h GLN 9 Ca 0.21 -0.12 -0.11 0.00 0.77 0.00 0.00 58.65 59.40 1ic2 h GLN 9 Cb 0.37 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 1ic2 h GLN 9 CO 0.00 0.74 -0.07 0.52 -1.93 0.00 0.00 178.83 178.09 1ic2 h MET 10 N 0.95 1.06 -0.63 1.69 2.86 -0.91 -1.72 114.93 118.22 1ic2 h MET 10 Ca 0.24 -0.37 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 1ic2 h MET 10 Cb 0.06 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1ic2 h MET 10 CO -0.04 1.07 0.24 -0.07 1.06 0.00 0.00 176.91 179.18 1ic2 h LEU 11 N 0.95 0.86 -0.42 1.22 3.38 -1.09 0.12 115.31 120.33 1ic2 h LEU 11 Ca 0.15 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1ic2 h LEU 11 Cb 0.64 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1ic2 h LEU 11 CO 0.04 0.77 -0.07 0.11 0.09 0.00 0.00 178.44 179.38 1ic2 h LYS 12 N 0.92 0.79 -0.72 1.13 1.57 -1.27 -1.56 116.57 117.43 1ic2 h LYS 12 Ca 0.21 -0.29 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1ic2 h LYS 12 Cb 0.19 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1ic2 h LYS 12 CO -0.02 0.90 0.20 1.25 -0.57 0.00 0.00 179.45 181.21 1ic2 h LEU 13 N 0.61 1.08 -0.90 2.94 5.85 -0.86 -1.68 115.31 122.35 1ic2 h LEU 13 Ca 0.11 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 1ic2 h LEU 13 Cb 0.59 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1ic2 h LEU 13 CO 0.04 1.02 0.10 0.44 -0.34 0.00 0.00 178.44 179.69 1ic2 h ASP 14 N 1.09 0.86 -0.22 1.25 3.32 -0.57 -1.25 116.42 120.90 1ic2 h ASP 14 Ca 0.23 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1ic2 h ASP 14 Cb 0.35 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1ic2 h ASP 14 CO -0.00 0.87 0.07 0.50 -1.72 0.00 0.00 179.24 178.96 1ic2 h LYS 15 N 0.87 0.34 -0.80 3.56 3.64 -0.97 -2.06 116.57 121.15 1ic2 h LYS 15 Ca 0.18 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1ic2 h LYS 15 Cb 0.37 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 1ic2 h LYS 15 CO 0.01 0.42 0.52 1.49 -2.27 0.00 0.00 179.45 179.62 1ic2 h GLU 16 N 0.19 1.07 -0.59 1.90 4.81 -1.06 -0.79 114.58 120.11 1ic2 h GLU 16 Ca 0.07 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1ic2 h GLU 16 Cb 0.22 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1ic2 h GLU 16 CO -0.00 0.72 0.21 -0.91 -0.73 0.00 0.00 179.01 178.29 1ic2 h ASN 17 N 1.09 0.80 -0.19 1.04 -0.26 -1.10 -1.59 115.58 115.37 1ic2 h ASN 17 Ca 0.29 -0.12 -0.18 0.00 -0.56 0.00 0.00 56.30 55.74 1ic2 h ASN 17 Cb -0.11 -0.21 -0.00 0.00 -1.06 0.00 0.00 38.32 36.94 1ic2 h ASN 17 CO -0.06 0.74 -0.55 0.00 -1.06 0.00 0.00 177.43 176.50 1ic2 h ALA 18 N 1.37 0.54 -0.63 -0.83 0.00 -0.74 -2.24 119.26 116.73 1ic2 h ALA 18 Ca 0.20 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1ic2 h ALA 18 Cb 0.21 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1ic2 h ALA 18 CO -0.01 0.68 0.11 -0.07 0.00 0.00 0.00 179.25 179.96 1ic2 h LEU 19 N 0.60 0.97 -0.73 0.00 3.38 -0.93 -1.35 115.31 117.25 1ic2 h LEU 19 Ca 0.01 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1ic2 h LEU 19 Cb 1.14 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 1ic2 h LEU 19 CO 0.12 0.96 0.36 -0.78 0.09 0.00 0.00 178.44 179.19 1ic2 h ASP 20 N 0.96 0.95 -0.62 -0.43 3.58 -1.21 -0.64 116.42 119.01 1ic2 h ASP 20 Ca 0.20 -0.13 0.01 0.00 0.42 0.00 0.00 57.03 57.52 1ic2 h ASP 20 Cb 0.40 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 1ic2 h ASP 20 CO 0.01 0.81 0.41 0.03 -2.88 0.00 0.00 179.24 177.62 1ic2 h ARG 21 N 1.02 0.81 -0.54 0.28 3.08 -0.93 -1.19 114.38 116.92 1ic2 h ARG 21 Ca 0.25 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 1ic2 h ARG 21 Cb 0.11 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1ic2 h ARG 21 CO -0.03 0.54 0.16 0.00 -1.07 0.00 0.00 179.97 179.56 1ic2 h ALA 22 N 1.23 0.70 -0.61 0.04 0.00 -0.86 -1.32 119.26 118.45 1ic2 h ALA 22 Ca 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ic2 h ALA 22 Cb -0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1ic2 h ALA 22 CO -0.05 0.37 0.33 0.93 0.00 0.00 0.00 179.25 180.83 1ic2 h GLU 23 N 0.74 0.85 -0.47 0.00 5.08 -0.84 -1.00 114.58 118.94 1ic2 h GLU 23 Ca 0.17 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1ic2 h GLU 23 Cb 0.30 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1ic2 h GLU 23 CO -0.00 0.65 -0.09 0.37 -1.00 0.00 0.00 179.01 178.94 1ic2 h GLN 24 N 0.82 0.89 -0.31 2.33 5.75 -1.08 -2.31 115.11 121.20 1ic2 h GLN 24 Ca 0.21 -0.33 -0.08 0.00 -0.15 0.00 0.00 58.65 58.30 1ic2 h GLN 24 Cb 0.05 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1ic2 h GLN 24 CO -0.03 0.98 -0.15 0.00 -2.65 0.00 0.00 178.83 176.97 1ic2 h ALA 25 N 0.89 1.15 -0.37 3.38 0.00 -0.97 -0.65 119.26 122.69 1ic2 h ALA 25 Ca 0.12 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 1ic2 h ALA 25 Cb 0.63 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1ic2 h ALA 25 CO 0.04 0.54 -0.29 0.93 0.00 0.00 0.00 179.25 180.47 1ic2 h GLU 26 N 0.51 0.78 -0.46 0.00 5.08 -1.13 0.46 114.58 119.81 1ic2 h GLU 26 Ca 0.09 -0.35 -0.10 0.00 -1.00 0.00 0.00 59.36 58.00 1ic2 h GLU 26 Cb 0.56 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1ic2 h GLU 26 CO 0.04 0.97 -0.10 0.00 -1.00 0.00 0.00 179.01 178.91 1ic2 h ALA 27 N 1.01 0.63 -0.28 3.43 0.00 -1.04 -2.23 119.26 120.79 1ic2 h ALA 27 Ca 0.08 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1ic2 h ALA 27 Cb 0.82 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1ic2 h ALA 27 CO 0.07 0.52 -0.16 -0.44 0.00 0.00 0.00 179.25 179.25 1ic2 h ASP 28 N 0.72 0.48 -0.51 0.00 3.32 -0.85 -1.94 116.42 117.63 1ic2 h ASP 28 Ca 0.12 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 1ic2 h ASP 28 Cb 0.65 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1ic2 h ASP 28 CO 0.04 0.66 0.00 0.50 -1.72 0.00 0.00 179.24 178.73 1ic2 h LYS 29 N 0.45 0.90 -0.36 3.56 3.64 -0.77 -1.50 116.57 122.49 1ic2 h LYS 29 Ca 0.08 -0.28 -0.09 0.00 -1.27 0.00 0.00 60.65 59.09 1ic2 h LYS 29 Cb 0.54 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1ic2 h LYS 29 CO 0.03 0.93 -0.14 0.87 -2.27 0.00 0.00 179.45 178.87 1ic2 h LYS 30 N 0.77 0.65 -0.58 1.90 1.57 -1.19 -1.17 116.57 118.52 1ic2 h LYS 30 Ca 0.15 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 1ic2 h LYS 30 Cb 0.52 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1ic2 h LYS 30 CO 0.03 0.77 0.05 0.00 -0.57 0.00 0.00 179.45 179.72 1ic2 h ALA 31 N 1.26 0.78 -0.44 3.86 0.00 -1.15 -1.92 119.26 121.65 1ic2 h ALA 31 Ca 0.10 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1ic2 h ALA 31 Cb 0.58 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1ic2 h ALA 31 CO 0.04 0.57 0.03 0.00 0.00 0.00 0.00 179.25 179.89 1ic2 h ALA 32 N 0.99 0.59 -0.80 0.00 0.00 -0.89 -2.02 119.26 117.13 1ic2 h ALA 32 Ca 0.17 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ic2 h ALA 32 Cb 0.48 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1ic2 h ALA 32 CO 0.02 0.35 0.53 0.93 0.00 0.00 0.00 179.25 181.07 1ic2 h GLU 33 N 0.60 0.98 -0.27 0.00 5.08 -1.04 0.60 114.58 120.53 1ic2 h GLU 33 Ca 0.13 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.25 1ic2 h GLU 33 Cb 0.44 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1ic2 h GLU 33 CO 0.02 0.65 -0.53 1.49 -1.00 0.00 0.00 179.01 179.64 1ic2 h GLU 34 N 1.01 0.83 -0.77 2.33 4.57 -1.16 -1.07 114.58 120.31 1ic2 h GLU 34 Ca 0.31 -0.53 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 1ic2 h GLU 34 Cb -0.01 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 1ic2 h GLU 34 CO -0.08 1.17 0.45 -0.09 -1.18 0.00 0.00 179.01 179.27 1ic2 h ARG 35 N 0.59 1.06 -0.53 1.92 9.65 -0.88 -1.23 114.38 124.96 1ic2 h ARG 35 Ca 0.01 -0.11 -0.07 0.00 -1.10 0.00 0.00 59.98 58.71 1ic2 h ARG 35 Cb 1.14 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 29.48 1ic2 h ARG 35 CO 0.12 0.77 0.04 0.77 2.80 0.00 0.00 179.97 184.46 1ic2 h SER 36 N 1.06 0.84 -0.35 -3.80 0.02 -0.75 -0.73 113.55 109.84 1ic2 h SER 36 Ca 0.27 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1ic2 h SER 36 Cb -0.01 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1ic2 h SER 36 CO -0.05 0.87 0.11 0.50 -1.14 0.00 0.00 176.83 177.13 1ic2 h LYS 37 N 0.82 0.54 -0.80 3.45 3.11 -0.57 -0.93 116.57 122.19 1ic2 h LYS 37 Ca 0.16 -0.12 -0.04 0.00 -2.81 0.00 0.00 60.65 57.84 1ic2 h LYS 37 Cb 0.43 -0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 31.55 1ic2 h LYS 37 CO 0.02 0.57 0.34 1.96 -2.81 0.00 0.00 179.45 179.52 1ic2 h GLN 38 N 0.41 1.19 -0.53 1.90 1.08 -1.00 -2.14 115.11 116.03 1ic2 h GLN 38 Ca 0.11 -0.21 -0.05 0.00 -1.45 0.00 0.00 58.65 57.05 1ic2 h GLN 38 Cb 0.25 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 1ic2 h GLN 38 CO -0.00 0.95 0.10 -0.07 -0.95 0.00 0.00 178.83 178.86 1ic2 h LEU 39 N 1.16 0.77 -0.82 1.46 3.38 -0.88 -1.21 115.31 119.17 1ic2 h LEU 39 Ca 0.27 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1ic2 h LEU 39 Cb 0.19 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1ic2 h LEU 39 CO -0.03 0.77 0.11 -0.33 0.09 0.00 0.00 178.44 179.05 1ic2 h GLU 40 N 0.78 0.99 -0.33 1.13 5.08 -0.82 -1.06 114.58 120.35 1ic2 h GLU 40 Ca 0.17 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1ic2 h GLU 40 Cb 0.32 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1ic2 h GLU 40 CO 0.00 0.91 -0.20 -0.44 -1.00 0.00 0.00 179.01 178.28 1ic2 h ASP 41 N 0.93 0.63 -0.57 1.42 3.32 -0.98 -1.73 116.42 119.44 1ic2 h ASP 41 Ca 0.19 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 1ic2 h ASP 41 Cb 0.40 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1ic2 h ASP 41 CO 0.01 0.83 0.10 -0.33 -1.72 0.00 0.00 179.24 178.13 1ic2 h GLU 42 N 0.56 0.98 -0.40 3.56 5.08 -0.67 -2.26 114.58 121.43 1ic2 h GLU 42 Ca 0.09 -0.25 -0.11 0.00 -1.00 0.00 0.00 59.36 58.09 1ic2 h GLU 42 Cb 0.66 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1ic2 h GLU 42 CO 0.05 0.91 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.71 1ic2 h LEU 43 N 0.93 0.78 -0.45 1.33 3.38 -0.81 -1.62 115.31 118.85 1ic2 h LEU 43 Ca 0.19 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 1ic2 h LEU 43 Cb 0.41 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1ic2 h LEU 43 CO 0.01 0.96 -0.35 0.58 0.09 0.00 0.00 178.44 179.72 1ic2 h VAL 44 N 0.68 1.27 -0.45 1.22 2.07 -1.20 -0.46 116.25 119.39 1ic2 h VAL 44 Ca 0.10 -1.52 -0.10 0.00 0.82 0.00 0.00 66.70 65.99 1ic2 h VAL 44 Cb 0.68 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1ic2 h VAL 44 CO 0.05 0.51 -0.14 0.00 0.02 0.00 0.00 177.57 178.02 1ic2 h ALA 45 N 0.83 0.91 -0.25 1.67 0.00 -1.30 -2.11 119.26 119.01 1ic2 h ALA 45 Ca 0.07 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 1ic2 h ALA 45 Cb 0.94 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1ic2 h ALA 45 CO 0.09 0.63 -0.44 1.25 0.00 0.00 0.00 179.25 180.78 1ic2 h LEU 46 N 0.76 0.67 -0.94 0.00 5.85 -1.17 -2.03 115.31 118.44 1ic2 h LEU 46 Ca 0.12 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 1ic2 h LEU 46 Cb 0.65 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1ic2 h LEU 46 CO 0.05 1.02 0.11 -0.61 -0.34 0.00 0.00 178.44 178.67 1ic2 h GLN 47 N 0.51 0.89 -0.54 1.25 5.75 -0.85 -0.28 115.11 121.83 1ic2 h GLN 47 Ca 0.04 -0.20 -0.12 0.00 -0.15 0.00 0.00 58.65 58.22 1ic2 h GLN 47 Cb 0.97 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.38 1ic2 h GLN 47 CO 0.09 0.81 -0.12 -0.22 -2.65 0.00 0.00 178.83 176.74 1ic2 h LYS 48 N 0.85 1.04 -0.60 1.69 1.63 -1.16 -0.37 116.57 119.65 1ic2 h LYS 48 Ca 0.18 -0.39 -0.08 0.00 -0.85 0.00 0.00 60.65 59.51 1ic2 h LYS 48 Cb 0.34 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 1ic2 h LYS 48 CO 0.00 1.09 0.07 -0.22 -3.45 0.00 0.00 179.45 176.95 1ic2 h LYS 49 N 0.92 1.00 -0.48 1.90 3.64 -0.91 -1.35 116.57 121.29 1ic2 h LYS 49 Ca 0.14 -0.26 -0.09 0.00 -1.27 0.00 0.00 60.65 59.17 1ic2 h LYS 49 Cb 0.70 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1ic2 h LYS 49 CO 0.05 0.93 -0.03 1.25 -2.27 0.00 0.00 179.45 179.38 1ic2 h LEU 50 N 0.93 0.86 -1.04 5.20 5.85 -0.77 -1.93 115.31 124.42 1ic2 h LEU 50 Ca 0.18 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1ic2 h LEU 50 Cb 0.44 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1ic2 h LEU 50 CO 0.01 0.98 0.47 0.50 -0.34 0.00 0.00 178.44 180.06 1ic2 h LYS 51 N 0.73 1.14 -0.45 1.25 3.11 -0.80 0.24 116.57 121.78 1ic2 h LYS 51 Ca 0.13 -0.12 -0.08 0.00 -2.81 0.00 0.00 60.65 57.77 1ic2 h LYS 51 Cb 0.56 -0.23 -0.02 0.00 -1.00 0.00 0.00 32.23 31.54 1ic2 h LYS 51 CO 0.03 0.82 -0.06 0.78 -2.81 0.00 0.00 179.45 178.21 1ic2 h GLY 52 N 1.17 0.85 1.12 5.01 0.00 -1.02 -1.98 103.07 108.21 1ic2 h GLY 52 Ca 0.29 -0.61 -0.15 0.00 0.00 0.00 0.00 47.33 46.86 1ic2 h GLY 52 CO -0.05 0.56 -0.34 -0.84 0.00 0.00 0.00 176.54 175.87 1ic2 h THR 53 N 0.72 1.27 -0.59 4.70 2.02 -0.54 -2.11 112.91 118.38 1ic2 h THR 53 Ca 0.13 -1.51 -0.07 0.00 0.77 0.00 0.00 66.41 65.72 1ic2 h THR 53 Cb 0.53 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 1ic2 h THR 53 CO 0.03 0.51 0.08 -0.33 0.37 0.00 0.00 175.52 176.18 1ic2 h GLU 54 N 0.77 0.97 -0.57 6.66 5.08 -0.82 -1.12 114.58 125.55 1ic2 h GLU 54 Ca 0.07 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1ic2 h GLU 54 Cb 0.93 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1ic2 h GLU 54 CO 0.09 0.91 0.18 -0.44 -1.00 0.00 0.00 179.01 178.74 1ic2 h ASP 55 N 0.91 0.84 -0.16 1.42 3.45 -1.25 -1.58 116.42 120.05 1ic2 h ASP 55 Ca 0.18 -0.21 -0.06 0.00 0.43 0.00 0.00 57.03 57.37 1ic2 h ASP 55 Cb 0.43 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.96 1ic2 h ASP 55 CO 0.01 0.82 -0.09 -0.33 -1.57 0.00 0.00 179.24 178.09 1ic2 h GLU 56 N 0.81 0.50 -0.69 3.56 4.39 -1.04 -1.54 114.58 120.56 1ic2 h GLU 56 Ca 0.18 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.68 1ic2 h GLU 56 Cb 0.29 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 1ic2 h GLU 56 CO -0.01 0.59 0.14 1.25 -1.16 0.00 0.00 179.01 179.82 1ic2 h LEU 57 N 0.47 1.08 -0.80 1.33 5.85 -0.75 -1.38 115.31 121.11 1ic2 h LEU 57 Ca 0.09 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.50 1ic2 h LEU 57 Cb 0.44 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1ic2 h LEU 57 CO 0.02 1.05 0.15 0.44 -0.34 0.00 0.00 178.44 179.77 1ic2 h ASP 58 N 1.06 1.00 -0.52 1.25 3.32 -0.82 -0.58 116.42 121.13 1ic2 h ASP 58 Ca 0.21 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1ic2 h ASP 58 Cb 0.42 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1ic2 h ASP 58 CO 0.01 0.96 0.25 0.11 -1.72 0.00 0.00 179.24 178.85 1ic2 h LYS 59 N 1.00 0.75 -0.55 3.56 1.57 -0.73 -1.55 116.57 120.62 1ic2 h LYS 59 Ca 0.21 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1ic2 h LYS 59 Cb 0.36 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1ic2 h LYS 59 CO 0.00 0.62 -0.02 1.88 -0.57 0.00 0.00 179.45 181.37 1ic2 h TYR 60 N 0.70 1.08 -0.55 -1.35 -1.99 -1.04 -1.09 116.97 112.73 1ic2 h TYR 60 Ca 0.18 -0.19 -0.03 0.00 2.00 0.00 0.00 58.73 60.68 1ic2 h TYR 60 Cb 0.12 -0.28 -0.03 0.00 2.00 0.00 0.00 36.73 38.54 1ic2 h TYR 60 CO -0.01 0.98 0.20 1.03 -0.00 0.00 0.00 178.16 180.37 1ic2 h SER 61 N 0.87 0.73 -0.08 3.88 0.87 -0.94 0.34 113.55 119.23 1ic2 h SER 61 Ca 0.15 -0.10 -0.25 0.00 -1.23 0.00 0.00 61.79 60.37 1ic2 h SER 61 Cb 0.56 -0.19 0.02 0.00 -0.44 0.00 0.00 62.40 62.35 1ic2 h SER 61 CO 0.03 0.68 -0.91 -0.33 -0.53 0.00 0.00 176.83 175.77 1ic2 h GLU 62 N 0.79 0.76 -0.49 2.24 4.39 -1.06 -2.36 114.58 118.85 1ic2 h GLU 62 Ca 0.19 -0.71 -0.07 0.00 0.34 0.00 0.00 59.36 59.11 1ic2 h GLU 62 Cb 0.19 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1ic2 h GLU 62 CO -0.01 1.30 0.03 0.77 -1.16 0.00 0.00 179.01 179.93 1ic2 h SER 63 N 0.47 0.83 -0.71 1.42 0.02 -0.96 -2.18 113.55 112.43 1ic2 h SER 63 Ca -0.09 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 60.56 1ic2 h SER 63 Cb 1.55 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.84 1ic2 h SER 63 CO 0.18 0.91 0.40 0.25 -1.14 0.00 0.00 176.83 177.44 1ic2 h LEU 64 N 0.71 0.89 -0.98 5.07 5.85 -0.95 -0.83 115.31 125.07 1ic2 h LEU 64 Ca 0.14 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1ic2 h LEU 64 Cb 0.47 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1ic2 h LEU 64 CO 0.02 0.71 0.25 0.11 -0.34 0.00 0.00 178.44 179.19 1ic2 h LYS 65 N 1.01 0.99 -0.31 1.25 1.57 -1.08 -1.10 116.57 118.90 1ic2 h LYS 65 Ca 0.26 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1ic2 h LYS 65 Cb 0.02 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1ic2 h LYS 65 CO -0.04 0.81 -0.18 -0.44 -0.57 0.00 0.00 179.45 179.03 1ic2 h ASP 66 N 0.96 0.69 -0.48 0.86 3.32 -0.74 -2.13 116.42 118.90 1ic2 h ASP 66 Ca 0.22 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1ic2 h ASP 66 Cb 0.21 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1ic2 h ASP 66 CO -0.02 0.96 0.31 0.00 -1.72 0.00 0.00 179.24 178.77 1ic2 h ALA 67 N 0.75 0.61 0.00 3.45 0.00 -0.83 0.17 119.26 123.41 1ic2 h ALA 67 Ca 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1ic2 h ALA 67 Cb 0.71 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1ic2 h ALA 67 CO 0.05 0.07 -0.22 1.96 0.00 0.00 0.00 179.25 181.11 1ic2 h GLN 68 N 0.65 0.00 0.03 0.00 4.20 -1.22 0.92 115.11 119.68 1ic2 h GLN 68 Ca 0.18 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 1ic2 h GLN 68 Cb -0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1ic2 h GLN 68 CO -0.04 0.22 -0.01 1.49 -0.67 0.00 0.00 178.83 179.82 1ic2 h GLU 69 N 0.00 -0.03 -0.17 1.46 4.57 -0.58 -2.91 114.58 116.92 1ic2 h GLU 69 Ca -0.00 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.05 1ic2 h GLU 69 Cb 0.68 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 1ic2 h GLU 69 CO 0.03 0.43 -0.45 0.87 -1.18 0.00 0.00 179.01 178.71 1ic2 h LYS 70 N -0.51 0.42 -0.85 1.92 1.57 -0.45 -3.02 116.57 115.64 1ic2 h LYS 70 Ca -0.00 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1ic2 h LYS 70 Cb 0.48 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 1ic2 h LYS 70 CO 0.01 0.79 0.48 -0.07 -0.57 0.00 0.00 179.45 180.09 1ic2 h LEU 71 N 0.34 1.05 -0.14 2.94 3.38 -0.85 0.22 115.31 122.25 1ic2 h LEU 71 Ca 0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1ic2 h LEU 71 Cb 0.93 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1ic2 h LEU 71 CO 0.08 0.83 -0.02 -0.33 0.09 0.00 0.00 178.44 179.08 1ic2 h GLU 72 N 1.18 0.27 0.00 1.13 5.08 -1.44 -0.47 114.58 120.33 1ic2 h GLU 72 Ca 0.30 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1ic2 h GLU 72 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1ic2 h GLU 72 CO -0.05 0.54 -0.26 -0.07 -1.00 0.00 0.00 179.01 178.17 1ic2 h LEU 73 N -0.03 0.00 0.29 1.33 3.38 -1.39 -3.26 115.31 115.64 1ic2 h LEU 73 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1ic2 h LEU 73 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1ic2 h LEU 73 CO 0.01 0.26 -0.14 0.00 0.09 0.00 0.00 178.44 178.66 1ic2 h ALA 74 N 1.74 -0.44 0.00 1.53 0.00 -0.31 -3.25 119.26 118.53 1ic2 h ALA 74 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ic2 h ALA 74 Cb 0.49 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ic2 h ALA 74 CO 0.03 -0.41 0.00 -0.40 0.00 0.00 0.00 179.25 178.48 1ic2 n ASP 75 N -4.67 0.70 -0.09 0.00 5.75 -0.21 -3.05 116.55 114.98 1ic2 n ASP 75 Ca -0.05 -0.58 -0.12 0.00 -0.01 0.00 0.00 54.79 54.03 1ic2 n ASP 75 Cb 0.15 -0.15 -0.00 0.00 -1.03 0.00 0.00 41.12 40.10 1ic2 n ASP 75 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 1ic2 h LYS 76 N 1.21 0.86 -2.26 0.11 2.10 -1.62 -3.34 116.57 113.62 1ic2 h LYS 76 Ca 0.00 -0.47 -0.60 0.00 -2.00 0.00 0.00 60.65 57.59 1ic2 h LYS 76 Cb 0.25 0.02 -0.41 0.00 -0.90 0.00 0.00 32.23 31.19 1ic2 h LYS 76 CO 0.00 1.11 -0.67 1.63 -2.00 0.00 0.00 179.45 179.52 1ic2 n LYS 77 N -4.04 2.16 0.02 0.07 5.02 -1.17 -4.82 118.16 115.40 1ic2 n LYS 77 Ca -0.02 -4.43 0.13 0.00 -2.02 0.00 0.00 58.31 51.97 1ic2 n LYS 77 Cb 0.56 -2.10 0.43 0.00 -0.02 0.00 0.00 35.03 33.89 1ic2 n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ic2 n ALA 78 N 1.08 2.78 0.55 7.82 0.00 -1.25 -5.16 120.51 126.32 1ic2 n ALA 78 Ca 0.28 -0.19 0.07 0.00 0.00 0.00 0.00 53.44 53.60 1ic2 n ALA 78 Cb 0.42 -1.33 0.05 0.00 0.00 0.00 0.00 19.45 18.60 1ic2 n ALA 78 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75