#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 2.48 -0.09 6.12 -0.08 -1.26 -4.79 116.55 118.93 1ic2 n ASP 2 Ca 0.00 1.13 0.24 0.00 -1.51 0.00 0.00 54.79 54.64 1ic2 n ASP 2 Cb 0.00 -1.37 0.69 0.00 2.34 0.00 0.00 41.12 42.79 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 4.50 2.63 0.02 -1.67 0.00 -2.06 -1.25 119.26 121.44 1ic2 h ALA 3 Ca -0.45 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.24 1ic2 h ALA 3 Cb 1.29 0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.14 1ic2 h ALA 3 CO 0.78 -0.83 -0.79 0.82 0.00 0.00 0.00 179.25 179.23 1ic2 h ILE 4 N 0.03 1.38 -0.56 0.00 2.04 -2.00 -2.48 117.51 115.92 1ic2 h ILE 4 Ca 0.34 -2.19 -0.05 0.00 1.00 0.00 0.00 64.86 63.95 1ic2 h ILE 4 Cb 1.31 2.60 -0.03 0.00 -0.74 0.00 0.00 36.82 39.97 1ic2 h ILE 4 CO -0.01 0.65 0.13 0.50 0.00 0.00 0.00 178.15 179.42 1ic2 h LYS 5 N 0.03 0.87 -0.62 2.37 3.64 -1.73 -2.41 116.57 118.72 1ic2 h LYS 5 Ca -0.10 -0.18 -0.08 0.00 -1.27 0.00 0.00 60.65 59.01 1ic2 h LYS 5 Cb 1.49 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 33.16 1ic2 h LYS 5 CO 0.15 0.78 0.07 -0.22 -2.27 0.00 0.00 179.45 177.97 1ic2 h LYS 6 N 0.83 1.04 -0.40 1.90 1.63 -1.28 -1.80 116.57 118.50 1ic2 h LYS 6 Ca 0.18 -0.30 -0.05 0.00 -0.85 0.00 0.00 60.65 59.63 1ic2 h LYS 6 Cb 0.31 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 1ic2 h LYS 6 CO 0.00 0.99 0.02 -0.22 -3.45 0.00 0.00 179.45 176.79 1ic2 h LYS 7 N 0.95 0.62 -0.44 1.90 1.63 -1.16 -0.33 116.57 119.74 1ic2 h LYS 7 Ca 0.18 -0.14 -0.14 0.00 -0.85 0.00 0.00 60.65 59.71 1ic2 h LYS 7 Cb 0.47 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1ic2 h LYS 7 CO 0.02 0.63 -0.27 0.52 -3.45 0.00 0.00 179.45 176.90 1ic2 h MET 8 N 0.59 0.95 -0.63 1.90 2.86 -1.17 -1.06 114.93 118.37 1ic2 h MET 8 Ca 0.13 -0.43 -0.08 0.00 -2.06 0.00 0.00 59.70 57.26 1ic2 h MET 8 Cb 0.35 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 1ic2 h MET 8 CO 0.01 1.09 0.09 0.37 1.06 0.00 0.00 176.91 179.53 1ic2 h GLN 9 N 0.80 1.04 -0.38 1.72 4.15 -0.83 -1.40 115.11 120.21 1ic2 h GLN 9 Ca 0.09 -0.28 -0.03 0.00 0.77 0.00 0.00 58.65 59.21 1ic2 h GLN 9 Cb 0.84 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.39 1ic2 h GLN 9 CO 0.07 0.96 0.12 0.52 -1.93 0.00 0.00 178.83 178.57 1ic2 h MET 10 N 0.97 0.59 -0.41 1.69 2.86 -0.89 -2.08 114.93 117.67 1ic2 h MET 10 Ca 0.19 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.64 1ic2 h MET 10 Cb 0.44 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1ic2 h MET 10 CO 0.01 0.60 -0.02 -0.07 1.06 0.00 0.00 176.91 178.50 1ic2 h LEU 11 N 0.47 0.63 -0.75 1.22 3.38 -1.04 -1.53 115.31 117.68 1ic2 h LEU 11 Ca 0.12 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1ic2 h LEU 11 Cb 0.26 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1ic2 h LEU 11 CO -0.00 0.71 0.11 0.50 0.09 0.00 0.00 178.44 179.85 1ic2 h LYS 12 N 0.62 1.06 -0.43 1.13 3.64 -1.04 -1.80 116.57 119.75 1ic2 h LYS 12 Ca 0.12 -0.27 -0.09 0.00 -1.27 0.00 0.00 60.65 59.14 1ic2 h LYS 12 Cb 0.42 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1ic2 h LYS 12 CO 0.02 0.97 -0.11 -0.07 -2.27 0.00 0.00 179.45 177.99 1ic2 h LEU 13 N 0.99 0.76 -0.68 5.20 -0.00 -1.00 -1.31 115.31 119.28 1ic2 h LEU 13 Ca 0.20 -0.23 -0.02 0.00 -0.00 0.00 0.00 57.88 57.83 1ic2 h LEU 13 Cb 0.42 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 40.84 1ic2 h LEU 13 CO 0.01 0.90 0.35 0.44 -0.00 0.00 0.00 178.44 180.14 1ic2 h ASP 14 N 0.70 0.86 -0.15 -0.43 3.32 -0.92 -0.90 116.42 118.90 1ic2 h ASP 14 Ca 0.12 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.07 1ic2 h ASP 14 Cb 0.59 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1ic2 h ASP 14 CO 0.04 0.72 0.08 0.50 -1.72 0.00 0.00 179.24 178.86 1ic2 h LYS 15 N 0.93 0.16 -0.79 3.56 3.64 -1.02 -1.53 116.57 121.52 1ic2 h LYS 15 Ca 0.24 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1ic2 h LYS 15 Cb 0.07 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 1ic2 h LYS 15 CO -0.03 0.11 0.51 0.93 -2.27 0.00 0.00 179.45 178.69 1ic2 h GLU 16 N 0.16 0.96 -0.37 1.90 5.08 -0.91 -0.52 114.58 120.88 1ic2 h GLU 16 Ca 0.06 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1ic2 h GLU 16 Cb 0.01 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1ic2 h GLU 16 CO -0.04 0.63 -0.17 -0.91 -1.00 0.00 0.00 179.01 177.52 1ic2 h ASN 17 N 0.98 0.69 -0.41 1.42 2.35 -0.93 -1.87 115.58 117.81 1ic2 h ASN 17 Ca 0.32 -0.22 -0.15 0.00 -0.55 0.00 0.00 56.30 55.70 1ic2 h ASN 17 Cb 0.01 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1ic2 h ASN 17 CO -0.11 0.87 -0.33 0.00 -1.65 0.00 0.00 177.43 176.21 1ic2 h ALA 18 N 1.19 0.62 -0.73 -0.83 0.00 -0.82 -1.92 119.26 116.77 1ic2 h ALA 18 Ca 0.10 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 1ic2 h ALA 18 Cb 0.64 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1ic2 h ALA 18 CO 0.05 0.68 0.25 -0.07 0.00 0.00 0.00 179.25 180.15 1ic2 h LEU 19 N 0.79 1.04 -0.85 0.00 3.38 -0.96 0.35 115.31 119.06 1ic2 h LEU 19 Ca 0.08 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1ic2 h LEU 19 Cb 0.92 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1ic2 h LEU 19 CO 0.09 0.95 0.36 -0.78 0.09 0.00 0.00 178.44 179.15 1ic2 h ASP 20 N 1.08 1.10 -0.44 -0.43 1.82 -1.17 -0.34 116.42 118.04 1ic2 h ASP 20 Ca 0.24 -0.15 -0.11 0.00 -0.39 0.00 0.00 57.03 56.62 1ic2 h ASP 20 Cb 0.27 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 39.98 1ic2 h ASP 20 CO -0.01 0.95 -0.14 -0.09 -1.61 0.00 0.00 179.24 178.33 1ic2 h ARG 21 N 1.18 0.88 -0.29 0.28 2.43 -0.85 -2.15 114.38 115.86 1ic2 h ARG 21 Ca 0.28 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1ic2 h ARG 21 Cb 0.16 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1ic2 h ARG 21 CO -0.03 1.00 0.15 0.00 -1.51 0.00 0.00 179.97 179.58 1ic2 h ALA 22 N 0.86 0.37 -0.75 2.80 0.00 -0.55 -2.18 119.26 119.81 1ic2 h ALA 22 Ca 0.11 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ic2 h ALA 22 Cb 0.70 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1ic2 h ALA 22 CO 0.05 -0.09 0.49 0.93 0.00 0.00 0.00 179.25 180.63 1ic2 h GLU 23 N 0.34 0.99 -0.44 0.00 5.08 -0.99 -0.56 114.58 119.00 1ic2 h GLU 23 Ca 0.10 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 1ic2 h GLU 23 Cb 0.08 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1ic2 h GLU 23 CO -0.01 0.66 -0.09 0.37 -1.00 0.00 0.00 179.01 178.93 1ic2 h GLN 24 N 1.02 0.78 -0.07 2.33 5.75 -1.24 -2.10 115.11 121.58 1ic2 h GLN 24 Ca 0.27 -0.25 -0.22 0.00 -0.15 0.00 0.00 58.65 58.30 1ic2 h GLN 24 Cb -0.11 -0.07 0.01 0.00 1.07 0.00 0.00 27.48 28.37 1ic2 h GLN 24 CO -0.06 0.85 -0.85 0.00 -2.65 0.00 0.00 178.83 176.12 1ic2 h ALA 25 N 1.19 0.37 -0.01 3.38 0.00 -1.02 -1.87 119.26 121.30 1ic2 h ALA 25 Ca 0.12 -0.65 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 1ic2 h ALA 25 Cb 0.56 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ic2 h ALA 25 CO 0.03 0.74 -0.41 0.93 0.00 0.00 0.00 179.25 180.54 1ic2 h GLU 26 N 0.37 0.02 -0.25 0.00 5.08 -1.03 0.48 114.58 119.24 1ic2 h GLU 26 Ca -0.07 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 1ic2 h GLU 26 Cb 1.47 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.72 1ic2 h GLU 26 CO 0.16 0.42 -0.34 0.00 -1.00 0.00 0.00 179.01 178.25 1ic2 h ALA 27 N 1.58 0.38 -0.45 3.43 0.00 -1.29 -0.97 119.26 121.93 1ic2 h ALA 27 Ca -0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1ic2 h ALA 27 Cb 0.72 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1ic2 h ALA 27 CO 0.05 0.43 0.09 -0.44 0.00 0.00 0.00 179.25 179.38 1ic2 h ASP 28 N 0.39 0.71 -0.49 0.00 3.32 -0.94 -2.14 116.42 117.26 1ic2 h ASP 28 Ca 0.03 -0.25 0.03 0.00 0.02 0.00 0.00 57.03 56.85 1ic2 h ASP 28 Cb 0.92 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 1ic2 h ASP 28 CO 0.08 0.78 0.28 0.50 -1.72 0.00 0.00 179.24 179.16 1ic2 h LYS 29 N 0.61 0.55 0.08 3.56 3.64 -0.84 -0.14 116.57 124.02 1ic2 h LYS 29 Ca 0.14 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1ic2 h LYS 29 Cb 0.36 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1ic2 h LYS 29 CO 0.01 0.36 -0.34 -0.22 -2.27 0.00 0.00 179.45 176.99 1ic2 h LYS 30 N 0.56 -0.52 -0.66 1.90 3.64 -0.92 0.30 116.57 120.87 1ic2 h LYS 30 Ca 0.20 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.71 1ic2 h LYS 30 Cb 0.04 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 31.91 1ic2 h LYS 30 CO -0.10 -0.35 0.29 0.00 -2.27 0.00 0.00 179.45 177.02 1ic2 h ALA 31 N 0.10 0.88 0.06 5.00 0.00 -0.92 -0.63 119.26 123.76 1ic2 h ALA 31 Ca 0.04 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ic2 h ALA 31 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ic2 h ALA 31 CO -0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 179.25 178.88 1ic2 h ALA 32 N 1.42 -0.09 -0.94 0.00 0.00 -0.41 -1.63 119.26 117.61 1ic2 h ALA 32 Ca 0.33 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.19 1ic2 h ALA 32 Cb 0.37 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 1ic2 h ALA 32 CO -0.28 -0.41 0.58 1.49 0.00 0.00 0.00 179.25 180.63 1ic2 h GLU 33 N -0.37 0.92 -0.60 0.00 4.81 -0.18 -1.35 114.58 117.82 1ic2 h GLU 33 Ca -0.01 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 1ic2 h GLU 33 Cb 0.33 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1ic2 h GLU 33 CO 0.01 0.61 0.05 0.93 -0.73 0.00 0.00 179.01 179.88 1ic2 h GLU 34 N 0.95 1.00 -0.29 1.92 5.08 -0.95 -2.94 114.58 119.36 1ic2 h GLU 34 Ca 0.45 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1ic2 h GLU 34 Cb 0.40 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1ic2 h GLU 34 CO -0.25 0.95 0.06 -0.09 -1.00 0.00 0.00 179.01 178.68 1ic2 h ARG 35 N 0.93 0.47 -0.07 2.33 2.43 -0.28 -1.33 114.38 118.86 1ic2 h ARG 35 Ca 0.18 -0.12 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1ic2 h ARG 35 Cb 0.47 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1ic2 h ARG 35 CO 0.02 0.57 0.19 0.77 -1.51 0.00 0.00 179.97 180.01 1ic2 h SER 36 N 0.30 0.00 0.09 -3.80 0.02 -1.26 -2.07 113.55 106.83 1ic2 h SER 36 Ca 0.09 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1ic2 h SER 36 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1ic2 h SER 36 CO 0.00 0.00 -0.04 0.50 -1.14 0.00 0.00 176.83 176.15 1ic2 h LYS 37 N 0.00 -0.12 -0.61 3.45 1.63 -1.08 -2.52 116.57 117.31 1ic2 h LYS 37 Ca 0.03 0.01 0.13 0.00 -0.85 0.00 0.00 60.65 59.97 1ic2 h LYS 37 Cb 0.42 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.04 1ic2 h LYS 37 CO -0.00 0.34 0.42 1.96 -3.45 0.00 0.00 179.45 178.71 1ic2 h GLN 38 N -0.94 0.25 -0.27 1.90 4.20 -0.83 0.55 115.11 119.96 1ic2 h GLN 38 Ca -0.01 -0.02 -0.18 0.00 0.06 0.00 0.00 58.65 58.50 1ic2 h GLN 38 Cb 0.51 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1ic2 h GLN 38 CO 0.02 0.17 -0.54 -0.07 -0.67 0.00 0.00 178.83 177.73 1ic2 h LEU 39 N 0.26 0.95 -0.54 1.46 3.38 -1.47 -1.78 115.31 117.57 1ic2 h LEU 39 Ca 0.29 -0.54 0.03 0.00 0.09 0.00 0.00 57.88 57.75 1ic2 h LEU 39 Cb 0.79 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1ic2 h LEU 39 CO -0.06 1.31 0.32 -0.33 0.09 0.00 0.00 178.44 179.77 1ic2 h GLU 40 N 0.63 0.62 0.10 1.13 5.08 -0.48 -1.72 114.58 119.94 1ic2 h GLU 40 Ca 0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1ic2 h GLU 40 Cb 1.16 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1ic2 h GLU 40 CO 0.12 0.41 -0.05 -0.44 -1.00 0.00 0.00 179.01 178.05 1ic2 h ASP 41 N 0.64 -0.12 -0.30 1.42 5.19 -1.17 -1.56 116.42 120.53 1ic2 h ASP 41 Ca 0.22 -0.07 0.09 0.00 -0.62 0.00 0.00 57.03 56.65 1ic2 h ASP 41 Cb 0.03 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 1ic2 h ASP 41 CO -0.10 -0.01 0.23 -0.08 -3.12 0.00 0.00 179.24 176.16 1ic2 h GLU 42 N -0.22 0.00 -0.07 3.56 4.81 -1.08 -0.45 114.58 121.13 1ic2 h GLU 42 Ca -0.01 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1ic2 h GLU 42 Cb 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1ic2 h GLU 42 CO 0.02 0.00 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.10 1ic2 h LEU 43 N 0.00 0.24 -1.11 1.64 3.38 -0.73 -1.14 115.31 117.60 1ic2 h LEU 43 Ca 0.14 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 1ic2 h LEU 43 Cb 0.60 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1ic2 h LEU 43 CO -0.00 0.75 0.37 -0.37 0.09 0.00 0.00 178.44 179.28 1ic2 h VAL 44 N -0.26 1.22 -0.31 1.22 -1.51 -0.25 -0.14 116.25 116.22 1ic2 h VAL 44 Ca 0.00 -0.57 -0.08 0.00 -1.23 0.00 0.00 66.70 64.82 1ic2 h VAL 44 Cb 0.70 0.28 -0.02 0.00 -2.13 0.00 0.00 31.29 30.13 1ic2 h VAL 44 CO 0.03 0.25 -0.16 0.00 -1.23 0.00 0.00 177.57 176.46 1ic2 h ALA 45 N 1.41 1.15 -0.11 5.19 0.00 -1.09 -2.39 119.26 123.41 1ic2 h ALA 45 Ca 0.25 -0.30 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 1ic2 h ALA 45 Cb 0.06 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ic2 h ALA 45 CO -0.04 0.54 -0.82 1.25 0.00 0.00 0.00 179.25 180.18 1ic2 h LEU 46 N 0.50 0.85 -0.99 0.00 7.12 -0.50 -2.50 115.31 119.79 1ic2 h LEU 46 Ca 0.09 -0.58 0.03 0.00 0.13 0.00 0.00 57.88 57.55 1ic2 h LEU 46 Cb 0.57 -0.25 -0.05 0.00 -0.53 0.00 0.00 40.66 40.39 1ic2 h LEU 46 CO 0.04 1.37 0.65 -0.61 -0.13 0.00 0.00 178.44 179.75 1ic2 h GLN 47 N 0.46 1.24 -0.58 1.25 -0.00 -0.89 -0.14 115.11 116.46 1ic2 h GLN 47 Ca -0.06 -0.07 -0.08 0.00 -0.00 0.00 0.00 58.65 58.43 1ic2 h GLN 47 Cb 1.44 -0.28 -0.02 0.00 0.00 0.00 0.00 27.48 28.62 1ic2 h GLN 47 CO 0.16 0.82 0.04 -0.22 0.00 0.00 0.00 178.83 179.63 1ic2 h LYS 48 N 1.27 0.99 -0.44 1.69 3.64 -1.32 -1.92 116.57 120.49 1ic2 h LYS 48 Ca 0.38 -0.30 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 1ic2 h LYS 48 Cb -0.05 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1ic2 h LYS 48 CO -0.11 0.97 -0.13 -0.22 -2.27 0.00 0.00 179.45 177.69 1ic2 h LYS 49 N 0.88 0.82 -0.04 1.90 3.64 -0.92 -2.58 116.57 120.27 1ic2 h LYS 49 Ca 0.17 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1ic2 h LYS 49 Cb 0.49 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1ic2 h LYS 49 CO 0.02 0.90 0.01 1.25 -2.27 0.00 0.00 179.45 179.37 1ic2 h LEU 50 N 0.73 0.05 -1.23 5.20 5.85 -0.87 -1.73 115.31 123.31 1ic2 h LEU 50 Ca 0.12 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.76 1ic2 h LEU 50 Cb 0.62 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 1ic2 h LEU 50 CO 0.04 0.20 0.56 0.11 -0.34 0.00 0.00 178.44 179.01 1ic2 h LYS 51 N -0.10 0.86 -0.12 1.25 1.79 -1.26 0.11 116.57 119.10 1ic2 h LYS 51 Ca 0.01 -0.05 -0.13 0.00 -2.18 0.00 0.00 60.65 58.30 1ic2 h LYS 51 Cb 0.17 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 1ic2 h LYS 51 CO -0.00 0.57 -0.48 0.78 -1.08 0.00 0.00 179.45 179.24 1ic2 h GLY 52 N 0.88 0.35 1.38 3.86 0.00 -1.27 -1.75 103.07 106.51 1ic2 h GLY 52 Ca 0.38 -0.36 -0.19 0.00 0.00 0.00 0.00 47.33 47.16 1ic2 h GLY 52 CO -0.15 0.33 -0.66 -0.84 0.00 0.00 0.00 176.54 175.22 1ic2 h THR 53 N 0.26 1.32 -0.68 4.70 2.02 -0.20 -2.20 112.91 118.11 1ic2 h THR 53 Ca 0.01 -1.93 -0.07 0.00 0.77 0.00 0.00 66.41 65.20 1ic2 h THR 53 Cb 0.94 1.90 -0.03 0.00 -1.74 0.00 0.00 68.15 69.22 1ic2 h THR 53 CO 0.08 0.60 0.16 -0.33 0.37 0.00 0.00 175.52 176.40 1ic2 h GLU 54 N 0.46 1.10 -0.83 6.66 5.08 -0.70 -1.32 114.58 125.03 1ic2 h GLU 54 Ca -0.02 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1ic2 h GLU 54 Cb 1.25 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 1ic2 h GLU 54 CO 0.13 0.97 0.53 -0.44 -1.00 0.00 0.00 179.01 179.20 1ic2 h ASP 55 N 1.04 0.97 -0.50 1.42 3.45 -1.16 -1.66 116.42 119.98 1ic2 h ASP 55 Ca 0.21 -0.04 -0.09 0.00 0.43 0.00 0.00 57.03 57.54 1ic2 h ASP 55 Cb 0.38 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 1ic2 h ASP 55 CO 0.00 0.73 -0.06 -0.08 -1.57 0.00 0.00 179.24 178.26 1ic2 h GLU 56 N 1.13 0.92 -0.61 3.56 4.57 -0.98 -1.56 114.58 121.62 1ic2 h GLU 56 Ca 0.30 -0.32 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1ic2 h GLU 56 Cb -0.09 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.39 1ic2 h GLU 56 CO -0.06 0.98 0.40 1.25 -1.18 0.00 0.00 179.01 180.39 1ic2 h LEU 57 N 0.78 0.68 -0.68 1.64 5.85 -0.89 -1.30 115.31 121.40 1ic2 h LEU 57 Ca 0.14 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1ic2 h LEU 57 Cb 0.60 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1ic2 h LEU 57 CO 0.04 0.49 0.22 0.44 -0.34 0.00 0.00 178.44 179.29 1ic2 h ASP 58 N 0.81 0.98 -0.32 1.25 3.32 -1.13 0.42 116.42 121.75 1ic2 h ASP 58 Ca 0.23 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 57.11 1ic2 h ASP 58 Cb -0.07 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.20 1ic2 h ASP 58 CO -0.06 0.92 0.13 0.50 -1.72 0.00 0.00 179.24 179.01 1ic2 h LYS 59 N 0.99 0.27 -0.10 3.56 3.64 -0.77 -1.04 116.57 123.11 1ic2 h LYS 59 Ca 0.22 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 1ic2 h LYS 59 Cb 0.29 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1ic2 h LYS 59 CO -0.01 0.18 -0.45 1.88 -2.27 0.00 0.00 179.45 178.78 1ic2 h TYR 60 N 0.28 0.30 -0.42 1.91 -1.99 -1.05 -1.78 116.97 114.22 1ic2 h TYR 60 Ca 0.14 -0.09 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 1ic2 h TYR 60 Cb 0.09 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 38.74 1ic2 h TYR 60 CO -0.12 0.66 0.17 1.03 -0.00 0.00 0.00 178.16 179.90 1ic2 h SER 61 N 0.21 0.58 -0.35 3.88 0.87 -0.44 -1.01 113.55 117.28 1ic2 h SER 61 Ca 0.01 -0.17 -0.14 0.00 -1.23 0.00 0.00 61.79 60.26 1ic2 h SER 61 Cb 0.88 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 1ic2 h SER 61 CO 0.07 0.59 -0.33 -0.08 -0.53 0.00 0.00 176.83 176.55 1ic2 h GLU 62 N 0.53 0.84 -0.91 2.24 4.81 -1.06 -2.75 114.58 118.28 1ic2 h GLU 62 Ca 0.14 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1ic2 h GLU 62 Cb 0.19 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1ic2 h GLU 62 CO -0.01 1.08 0.59 0.77 -0.73 0.00 0.00 179.01 180.71 1ic2 h SER 63 N 0.63 1.06 -0.69 1.04 0.02 -1.17 -0.35 113.55 114.10 1ic2 h SER 63 Ca 0.06 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 1ic2 h SER 63 Cb 0.92 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 1ic2 h SER 63 CO 0.08 0.78 0.22 0.25 -1.14 0.00 0.00 176.83 177.03 1ic2 h LEU 64 N 1.24 1.00 -0.75 5.07 5.85 -1.13 -0.25 115.31 126.35 1ic2 h LEU 64 Ca 0.33 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 1ic2 h LEU 64 Cb -0.12 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.62 1ic2 h LEU 64 CO -0.07 0.94 0.10 0.11 -0.34 0.00 0.00 178.44 179.19 1ic2 h LYS 65 N 1.01 1.06 -0.67 1.25 1.57 -1.12 -0.32 116.57 119.35 1ic2 h LYS 65 Ca 0.22 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1ic2 h LYS 65 Cb 0.29 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1ic2 h LYS 65 CO -0.01 0.97 0.14 -0.44 -0.57 0.00 0.00 179.45 179.54 1ic2 h ASP 66 N 0.99 1.04 -0.29 0.86 3.45 -0.70 -2.11 116.42 119.65 1ic2 h ASP 66 Ca 0.20 -0.25 -0.02 0.00 0.43 0.00 0.00 57.03 57.39 1ic2 h ASP 66 Cb 0.42 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.91 1ic2 h ASP 66 CO 0.01 1.02 0.11 0.00 -1.57 0.00 0.00 179.24 178.80 1ic2 h ALA 67 N 1.06 0.38 -0.43 3.45 0.00 -0.55 -1.98 119.26 121.18 1ic2 h ALA 67 Ca 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ic2 h ALA 67 Cb 0.40 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1ic2 h ALA 67 CO 0.01 -0.01 0.17 1.96 0.00 0.00 0.00 179.25 181.37 1ic2 h GLN 68 N 0.32 0.61 -0.33 0.00 4.20 -0.94 -1.26 115.11 117.70 1ic2 h GLN 68 Ca 0.10 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 1ic2 h GLN 68 Cb 0.20 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1ic2 h GLN 68 CO -0.01 0.51 -0.11 0.93 -0.67 0.00 0.00 178.83 179.48 1ic2 h GLU 69 N 0.61 0.67 -0.11 1.46 5.08 -1.09 -1.71 114.58 119.50 1ic2 h GLU 69 Ca 0.15 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1ic2 h GLU 69 Cb 0.13 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1ic2 h GLU 69 CO -0.01 0.85 -0.20 0.87 -1.00 0.00 0.00 179.01 179.52 1ic2 h LYS 70 N 0.45 0.17 -0.40 2.33 1.79 -0.99 -1.04 116.57 118.88 1ic2 h LYS 70 Ca 0.08 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.46 1ic2 h LYS 70 Cb 0.63 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.24 1ic2 h LYS 70 CO 0.04 0.38 0.08 1.25 -1.08 0.00 0.00 179.45 180.12 1ic2 h LEU 71 N 0.16 0.62 -0.60 2.94 5.85 -0.91 -0.69 115.31 122.67 1ic2 h LEU 71 Ca 0.03 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.45 1ic2 h LEU 71 Cb 0.46 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1ic2 h LEU 71 CO 0.03 0.71 0.15 -0.33 -0.34 0.00 0.00 178.44 178.66 1ic2 h GLU 72 N 0.50 0.96 -0.74 1.25 5.08 -0.65 -2.19 114.58 118.81 1ic2 h GLU 72 Ca 0.12 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1ic2 h GLU 72 Cb 0.34 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1ic2 h GLU 72 CO 0.00 0.88 0.48 1.25 -1.00 0.00 0.00 179.01 180.62 1ic2 h LEU 73 N 0.88 0.85 -0.01 1.33 5.85 -1.01 -1.84 115.31 121.36 1ic2 h LEU 73 Ca 0.19 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.92 1ic2 h LEU 73 Cb 0.34 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 1ic2 h LEU 73 CO 0.00 0.62 -0.27 0.00 -0.34 0.00 0.00 178.44 178.45 1ic2 h ALA 74 N 1.26 -0.37 -0.23 1.25 0.00 -0.65 -2.31 119.26 118.22 1ic2 h ALA 74 Ca 0.27 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1ic2 h ALA 74 Cb -0.10 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ic2 h ALA 74 CO -0.06 -0.77 0.09 -0.44 0.00 0.00 0.00 179.25 178.07 1ic2 h ASP 75 N -0.41 0.11 0.03 0.00 3.32 -1.16 0.17 116.42 118.48 1ic2 h ASP 75 Ca 0.07 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1ic2 h ASP 75 Cb 0.50 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1ic2 h ASP 75 CO -0.25 0.09 0.00 0.29 -1.72 0.00 0.00 179.24 177.66 1ic2 n LYS 76 N -5.03 0.08 -0.05 3.56 4.01 -0.71 -1.84 118.16 118.18 1ic2 n LYS 76 Ca -0.02 0.12 -0.07 0.00 -0.51 0.00 0.00 58.31 57.83 1ic2 n LYS 76 Cb 0.08 -1.50 -0.05 0.00 -0.51 0.00 0.00 35.03 33.05 1ic2 n LYS 76 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1ic2 n LYS 77 N -1.14 0.25 0.00 1.97 4.81 -0.37 -4.52 118.16 119.16 1ic2 n LYS 77 Ca 0.02 0.06 0.02 0.00 -0.87 0.00 0.00 58.31 57.54 1ic2 n LYS 77 Cb 0.02 -1.19 0.12 0.00 0.02 0.00 0.00 35.03 34.00 1ic2 n LYS 77 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ic2 n ALA 78 N -2.81 2.11 -0.84 3.14 0.00 0.45 -5.11 120.51 117.46 1ic2 n ALA 78 Ca -0.18 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1ic2 n ALA 78 Cb 0.69 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1ic2 n ALA 78 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75