#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 3.49 -0.27 6.12 -0.08 -1.26 -4.83 116.55 119.71 1ic2 n ASP 2 Ca 0.00 1.22 0.02 0.00 -1.51 0.00 0.00 54.79 54.52 1ic2 n ASP 2 Cb 0.00 -1.58 0.16 0.00 2.34 0.00 0.00 41.12 42.04 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 2.96 1.11 0.38 -1.67 0.00 -2.06 0.38 119.26 120.35 1ic2 h ALA 3 Ca -0.49 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1ic2 h ALA 3 Cb 1.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ic2 h ALA 3 CO 0.65 0.04 -0.18 0.82 0.00 0.00 0.00 179.25 180.57 1ic2 h ILE 4 N 0.71 0.62 -0.96 0.00 2.04 -2.00 -2.31 117.51 115.61 1ic2 h ILE 4 Ca 0.38 -0.39 0.19 0.00 1.00 0.00 0.00 64.86 66.04 1ic2 h ILE 4 Cb 0.38 0.81 -0.11 0.00 -0.74 0.00 0.00 36.82 37.16 1ic2 h ILE 4 CO -0.26 0.07 0.55 0.11 0.00 0.00 0.00 178.15 178.62 1ic2 h LYS 5 N -0.73 0.67 -0.56 2.37 1.57 -1.83 0.87 116.57 118.92 1ic2 h LYS 5 Ca -0.05 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1ic2 h LYS 5 Cb 0.51 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1ic2 h LYS 5 CO 0.08 0.44 0.12 -0.22 -0.57 0.00 0.00 179.45 179.30 1ic2 h LYS 6 N 0.69 0.88 -0.44 3.15 3.64 -0.81 -2.18 116.57 121.50 1ic2 h LYS 6 Ca 0.55 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.66 1ic2 h LYS 6 Cb 0.87 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 1ic2 h LYS 6 CO -0.40 0.80 -0.06 -0.22 -2.27 0.00 0.00 179.45 177.30 1ic2 h LYS 7 N 0.84 0.75 0.65 1.90 1.63 -0.28 -2.43 116.57 119.64 1ic2 h LYS 7 Ca 0.18 -0.22 -0.03 0.00 -0.85 0.00 0.00 60.65 59.73 1ic2 h LYS 7 Cb 0.33 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 1ic2 h LYS 7 CO 0.00 0.80 -0.34 0.52 -3.45 0.00 0.00 179.45 176.99 1ic2 h MET 8 N 0.69 -0.87 -0.03 1.90 2.86 -0.74 -2.14 114.93 116.60 1ic2 h MET 8 Ca 0.13 0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1ic2 h MET 8 Cb 0.52 0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.38 1ic2 h MET 8 CO 0.03 -0.58 0.03 -0.56 1.06 0.00 0.00 176.91 176.88 1ic2 h GLN 9 N -0.91 0.00 -0.41 1.72 3.07 -1.37 -0.42 115.11 116.80 1ic2 h GLN 9 Ca -0.09 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.54 1ic2 h GLN 9 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.25 1ic2 h GLN 9 CO 0.12 0.00 -0.21 1.98 0.09 0.00 0.00 178.83 180.81 1ic2 h MET 10 N 0.00 0.80 -0.22 0.06 4.05 -1.09 -1.88 114.93 116.65 1ic2 h MET 10 Ca 0.02 -0.32 -0.15 0.00 -0.28 0.00 0.00 59.70 58.97 1ic2 h MET 10 Cb 0.07 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 1ic2 h MET 10 CO -0.00 0.94 -0.44 -0.07 0.23 0.00 0.00 176.91 177.57 1ic2 h LEU 11 N 0.70 0.77 -1.45 3.39 3.38 -0.48 -2.93 115.31 118.69 1ic2 h LEU 11 Ca 0.10 -0.54 0.08 0.00 0.09 0.00 0.00 57.88 57.60 1ic2 h LEU 11 Cb 0.73 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1ic2 h LEU 11 CO 0.06 1.17 0.45 0.11 0.09 0.00 0.00 178.44 180.32 1ic2 h LYS 12 N 0.40 0.63 -0.23 1.13 1.57 -1.05 -2.10 116.57 116.93 1ic2 h LYS 12 Ca 0.01 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1ic2 h LYS 12 Cb 1.04 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1ic2 h LYS 12 CO 0.10 0.42 -0.04 1.25 -0.57 0.00 0.00 179.45 180.60 1ic2 h LEU 13 N 0.65 0.43 -0.81 2.94 5.85 -1.21 -2.09 115.31 121.06 1ic2 h LEU 13 Ca 0.31 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1ic2 h LEU 13 Cb 0.35 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1ic2 h LEU 13 CO -0.10 0.69 0.48 0.44 -0.34 0.00 0.00 178.44 179.60 1ic2 h ASP 14 N 0.17 0.99 0.13 1.25 3.32 -1.28 0.22 116.42 121.22 1ic2 h ASP 14 Ca 0.06 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.05 1ic2 h ASP 14 Cb 0.49 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1ic2 h ASP 14 CO 0.02 0.78 -0.23 0.50 -1.72 0.00 0.00 179.24 178.58 1ic2 h LYS 15 N 1.12 -0.43 -0.91 3.56 3.64 -1.31 -0.15 116.57 122.10 1ic2 h LYS 15 Ca 0.29 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.71 1ic2 h LYS 15 Cb -0.02 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 1ic2 h LYS 15 CO -0.05 -0.28 0.61 1.49 -2.27 0.00 0.00 179.45 178.94 1ic2 h GLU 16 N -0.44 1.20 0.00 1.90 4.81 -1.01 -1.41 114.58 119.63 1ic2 h GLU 16 Ca 0.02 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 1ic2 h GLU 16 Cb 0.46 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1ic2 h GLU 16 CO -0.12 0.79 -0.29 -0.91 -0.73 0.00 0.00 179.01 177.75 1ic2 h ASN 17 N 1.23 0.00 -0.14 1.04 2.35 -0.52 -2.06 115.58 117.48 1ic2 h ASN 17 Ca 0.34 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.96 1ic2 h ASN 17 Cb -0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.24 1ic2 h ASN 17 CO -0.08 0.29 -0.42 0.00 -1.65 0.00 0.00 177.43 175.57 1ic2 h ALA 18 N 1.71 0.25 -0.38 -0.83 0.00 -0.03 -2.91 119.26 117.08 1ic2 h ALA 18 Ca -0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1ic2 h ALA 18 Cb 0.54 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1ic2 h ALA 18 CO 0.04 0.37 0.09 -0.07 0.00 0.00 0.00 179.25 179.67 1ic2 h LEU 19 N 0.17 0.51 0.04 0.00 3.38 -1.08 -2.43 115.31 115.91 1ic2 h LEU 19 Ca -0.01 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ic2 h LEU 19 Cb 1.04 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1ic2 h LEU 19 CO 0.09 0.51 -0.02 -0.78 0.09 0.00 0.00 178.44 178.34 1ic2 h ASP 20 N 0.55 -0.05 -0.64 -0.43 3.58 -1.34 -1.35 116.42 116.73 1ic2 h ASP 20 Ca 0.13 -0.02 0.09 0.00 0.42 0.00 0.00 57.03 57.64 1ic2 h ASP 20 Cb 0.21 0.01 -0.07 0.00 1.72 0.00 0.00 39.33 41.21 1ic2 h ASP 20 CO -0.00 -0.01 0.29 0.03 -2.88 0.00 0.00 179.24 176.67 1ic2 h ARG 21 N -0.08 0.50 0.80 0.28 3.08 -1.27 -1.04 114.38 116.64 1ic2 h ARG 21 Ca -0.01 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1ic2 h ARG 21 Cb 0.07 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1ic2 h ARG 21 CO 0.01 0.33 -0.44 0.00 -1.07 0.00 0.00 179.97 178.80 1ic2 h ALA 22 N 1.40 -1.16 -0.99 0.04 0.00 -1.08 0.20 119.26 117.66 1ic2 h ALA 22 Ca 0.31 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 55.14 1ic2 h ALA 22 Cb 0.33 0.51 -0.09 0.00 0.00 0.00 0.00 17.79 18.54 1ic2 h ALA 22 CO -0.27 -1.16 0.62 0.93 0.00 0.00 0.00 179.25 179.37 1ic2 h GLU 23 N -1.14 0.82 0.07 0.00 5.08 -1.10 -0.31 114.58 117.99 1ic2 h GLU 23 Ca -0.11 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1ic2 h GLU 23 Cb 0.90 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1ic2 h GLU 23 CO 0.14 0.54 -0.03 0.37 -1.00 0.00 0.00 179.01 179.03 1ic2 h GLN 24 N 0.84 -0.09 0.21 2.33 5.75 -0.80 -2.41 115.11 120.94 1ic2 h GLN 24 Ca 0.53 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 59.05 1ic2 h GLN 24 Cb 0.74 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.26 1ic2 h GLN 24 CO -0.31 0.23 -0.48 0.00 -2.65 0.00 0.00 178.83 175.61 1ic2 h ALA 25 N 0.50 -0.92 -1.00 3.38 0.00 0.20 -1.77 119.26 119.64 1ic2 h ALA 25 Ca -0.01 -0.11 0.19 0.00 0.00 0.00 0.00 54.91 54.97 1ic2 h ALA 25 Cb 0.36 0.78 -0.11 0.00 0.00 0.00 0.00 17.79 18.82 1ic2 h ALA 25 CO 0.02 -1.08 0.61 0.93 0.00 0.00 0.00 179.25 179.72 1ic2 h GLU 26 N -0.77 0.75 0.70 0.00 5.08 -1.13 -2.05 114.58 117.15 1ic2 h GLU 26 Ca -0.01 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1ic2 h GLU 26 Cb 0.75 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.84 1ic2 h GLU 26 CO -0.22 0.50 -0.33 0.00 -1.00 0.00 0.00 179.01 177.96 1ic2 h ALA 27 N 1.64 -1.14 -1.15 3.43 0.00 -0.89 -2.94 119.26 118.20 1ic2 h ALA 27 Ca 0.58 -0.20 0.33 0.00 0.00 0.00 0.00 54.91 55.61 1ic2 h ALA 27 Cb 0.88 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1ic2 h ALA 27 CO -0.38 -1.07 0.81 -0.44 0.00 0.00 0.00 179.25 178.17 1ic2 h ASP 28 N -1.02 0.10 0.81 0.00 3.32 -0.77 -0.60 116.42 118.27 1ic2 h ASP 28 Ca -0.10 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 1ic2 h ASP 28 Cb 0.72 0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.28 1ic2 h ASP 28 CO 0.16 0.01 -0.39 0.50 -1.72 0.00 0.00 179.24 177.80 1ic2 h LYS 29 N 0.08 -1.05 -0.72 3.56 3.64 -1.28 -1.71 116.57 119.10 1ic2 h LYS 29 Ca 0.57 0.07 0.16 0.00 -1.27 0.00 0.00 60.65 60.18 1ic2 h LYS 29 Cb 2.10 0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 34.12 1ic2 h LYS 29 CO -0.08 -0.70 0.49 0.87 -2.27 0.00 0.00 179.45 177.76 1ic2 h LYS 30 N -1.16 0.30 -0.80 1.90 1.57 -0.98 0.20 116.57 117.59 1ic2 h LYS 30 Ca -0.11 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1ic2 h LYS 30 Cb 0.84 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.04 1ic2 h LYS 30 CO 0.18 0.20 0.48 0.00 -0.57 0.00 0.00 179.45 179.75 1ic2 h ALA 31 N 1.66 1.02 0.07 3.86 0.00 -0.87 -0.68 119.26 124.33 1ic2 h ALA 31 Ca 0.35 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ic2 h ALA 31 Cb 0.93 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ic2 h ALA 31 CO -0.09 0.48 -0.04 0.00 0.00 0.00 0.00 179.25 179.61 1ic2 h ALA 32 N 1.26 -0.10 -0.98 0.00 0.00 0.22 -2.79 119.26 116.87 1ic2 h ALA 32 Ca 0.29 -0.26 0.26 0.00 0.00 0.00 0.00 54.91 55.20 1ic2 h ALA 32 Cb -0.04 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 17.65 1ic2 h ALA 32 CO -0.05 -0.26 0.53 0.93 0.00 0.00 0.00 179.25 180.40 1ic2 h GLU 33 N -0.69 0.43 -0.42 0.00 5.08 -0.95 1.15 114.58 119.20 1ic2 h GLU 33 Ca -0.01 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1ic2 h GLU 33 Cb 0.56 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1ic2 h GLU 33 CO 0.02 0.29 0.15 1.49 -1.00 0.00 0.00 179.01 179.95 1ic2 h GLU 34 N 0.45 0.63 0.02 2.33 4.81 -1.05 -1.60 114.58 120.17 1ic2 h GLU 34 Ca 0.65 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.76 1ic2 h GLU 34 Cb 1.33 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1ic2 h GLU 34 CO -0.54 0.61 -0.01 -0.09 -0.73 0.00 0.00 179.01 178.25 1ic2 h ARG 35 N 0.53 -0.03 -0.18 1.92 2.43 0.13 -0.55 114.38 118.63 1ic2 h ARG 35 Ca 0.14 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 1ic2 h ARG 35 Cb 0.23 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.72 1ic2 h ARG 35 CO -0.01 0.30 -0.29 0.66 -1.51 0.00 0.00 179.97 179.13 1ic2 h SER 36 N -0.36 -0.90 -0.71 -3.80 4.64 0.11 1.17 113.55 113.70 1ic2 h SER 36 Ca -0.00 0.14 0.11 0.00 -0.47 0.00 0.00 61.79 61.57 1ic2 h SER 36 Cb 0.34 0.40 -0.05 0.00 -0.31 0.00 0.00 62.40 62.78 1ic2 h SER 36 CO 0.00 -0.32 0.47 0.11 -0.87 0.00 0.00 176.83 176.22 1ic2 h LYS 37 N -0.33 0.51 0.00 4.77 1.79 -1.27 1.43 116.57 123.46 1ic2 h LYS 37 Ca 0.11 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 1ic2 h LYS 37 Cb 0.51 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1ic2 h LYS 37 CO -0.37 0.34 -0.03 0.37 -1.08 0.00 0.00 179.45 178.68 1ic2 h GLN 38 N 0.53 0.00 0.00 3.15 4.15 0.21 -2.12 115.11 121.04 1ic2 h GLN 38 Ca 0.33 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.75 1ic2 h GLN 38 Cb 0.59 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1ic2 h GLN 38 CO -0.11 0.03 -0.36 -0.07 -1.93 0.00 0.00 178.83 176.39 1ic2 h LEU 39 N 0.00 0.00 -0.88 -2.39 3.38 0.96 -3.10 115.31 113.28 1ic2 h LEU 39 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1ic2 h LEU 39 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ic2 h LEU 39 CO 0.00 0.55 0.73 1.05 0.09 0.00 0.00 178.44 180.87 1ic2 h GLU 40 N -0.74 0.00 0.03 1.13 4.11 0.67 3.11 114.58 122.89 1ic2 h GLU 40 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 1ic2 h GLU 40 Cb 0.36 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.62 1ic2 h GLU 40 CO 0.00 0.00 -0.28 0.22 0.07 0.00 0.00 179.01 179.02 1ic2 h ASP 41 N 0.00 0.19 0.99 3.06 1.82 -1.51 -2.01 116.42 118.97 1ic2 h ASP 41 Ca 0.02 -0.89 -0.02 0.00 -0.39 0.00 0.00 57.03 55.75 1ic2 h ASP 41 Cb 1.49 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 41.43 1ic2 h ASP 41 CO -0.00 1.06 -0.11 -0.33 -1.61 0.00 0.00 179.24 178.26 1ic2 h GLU 42 N -0.66 0.00 0.30 0.28 5.08 0.53 -1.39 114.58 118.72 1ic2 h GLU 42 Ca -0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1ic2 h GLU 42 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1ic2 h GLU 42 CO 0.05 0.11 -0.14 1.25 -1.00 0.00 0.00 179.01 179.28 1ic2 h LEU 43 N 0.00 -0.34 -0.64 1.33 5.85 0.63 0.49 115.31 122.64 1ic2 h LEU 43 Ca -0.00 -0.19 0.11 0.00 0.84 0.00 0.00 57.88 58.64 1ic2 h LEU 43 Cb 0.63 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.67 1ic2 h LEU 43 CO 0.01 0.06 0.19 0.58 -0.34 0.00 0.00 178.44 178.94 1ic2 h VAL 44 N -0.79 0.68 -0.62 1.05 2.07 -1.07 0.49 116.25 118.06 1ic2 h VAL 44 Ca -0.04 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1ic2 h VAL 44 Cb 0.51 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1ic2 h VAL 44 CO 0.07 0.06 0.26 0.00 0.02 0.00 0.00 177.57 177.98 1ic2 h ALA 45 N 1.48 0.81 -0.70 1.67 0.00 -1.16 -2.67 119.26 118.68 1ic2 h ALA 45 Ca 0.33 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1ic2 h ALA 45 Cb 0.48 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1ic2 h ALA 45 CO -0.38 0.40 0.25 1.25 0.00 0.00 0.00 179.25 180.78 1ic2 h LEU 46 N 0.86 0.98 -2.29 0.00 7.12 0.25 -2.29 115.31 119.95 1ic2 h LEU 46 Ca 0.21 -0.16 -0.00 0.00 0.13 0.00 0.00 57.88 58.06 1ic2 h LEU 46 Cb 0.18 -0.26 -0.00 0.00 -0.53 0.00 0.00 40.66 40.05 1ic2 h LEU 46 CO -0.02 0.89 -0.02 1.56 -0.13 0.00 0.00 178.44 180.73 1ic2 h GLN 47 N 1.03 0.00 0.14 1.25 4.20 -0.61 -2.15 115.11 118.97 1ic2 h GLN 47 Ca 0.23 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.63 1ic2 h GLN 47 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1ic2 h GLN 47 CO -0.01 0.02 -1.49 -0.22 -0.67 0.00 0.00 178.83 176.45 1ic2 h LYS 48 N 0.00 0.31 -0.48 1.46 3.64 -1.22 -3.00 116.57 117.28 1ic2 h LYS 48 Ca -0.00 -0.52 -0.04 0.00 -1.27 0.00 0.00 60.65 58.82 1ic2 h LYS 48 Cb 0.04 0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1ic2 h LYS 48 CO 0.00 1.20 0.14 -0.22 -2.27 0.00 0.00 179.45 178.30 1ic2 h LYS 49 N 0.08 0.71 -0.03 1.90 3.64 -1.12 -1.69 116.57 120.06 1ic2 h LYS 49 Ca -0.23 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.01 1ic2 h LYS 49 Cb 2.04 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.74 1ic2 h LYS 49 CO 0.19 0.63 -0.02 1.25 -2.27 0.00 0.00 179.45 179.23 1ic2 h LEU 50 N 0.69 0.07 -0.80 5.20 5.85 -1.52 -2.56 115.31 122.24 1ic2 h LEU 50 Ca 0.16 -0.41 0.09 0.00 0.84 0.00 0.00 57.88 58.55 1ic2 h LEU 50 Cb 0.22 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 1ic2 h LEU 50 CO -0.01 0.47 0.45 0.50 -0.34 0.00 0.00 178.44 179.52 1ic2 h LYS 51 N -0.33 0.75 -0.87 1.25 1.63 -1.36 0.10 116.57 117.75 1ic2 h LYS 51 Ca 0.01 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1ic2 h LYS 51 Cb 0.44 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.86 1ic2 h LYS 51 CO 0.00 0.50 0.53 0.78 -3.45 0.00 0.00 179.45 177.81 1ic2 h GLY 52 N 0.77 1.26 1.19 5.01 0.00 -1.25 -0.99 103.07 109.07 1ic2 h GLY 52 Ca 0.38 -0.52 -0.17 0.00 0.00 0.00 0.00 47.33 47.02 1ic2 h GLY 52 CO -0.24 0.50 -0.49 -0.84 0.00 0.00 0.00 176.54 175.48 1ic2 h THR 53 N 1.20 1.28 -0.23 4.70 2.02 -0.72 -2.45 112.91 118.70 1ic2 h THR 53 Ca 0.31 -1.67 -0.01 0.00 0.77 0.00 0.00 66.41 65.82 1ic2 h THR 53 Cb -0.06 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1ic2 h THR 53 CO -0.06 0.55 0.11 -0.33 0.37 0.00 0.00 175.52 176.15 1ic2 h GLU 54 N 0.68 0.34 -0.80 6.66 5.08 -0.38 -0.37 114.58 125.79 1ic2 h GLU 54 Ca 0.03 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1ic2 h GLU 54 Cb 1.08 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 1ic2 h GLU 54 CO 0.11 0.36 0.32 -0.44 -1.00 0.00 0.00 179.01 178.36 1ic2 h ASP 55 N 0.24 1.11 -0.78 1.42 3.32 -1.20 -0.27 116.42 120.25 1ic2 h ASP 55 Ca 0.08 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1ic2 h ASP 55 Cb 0.14 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 1ic2 h ASP 55 CO -0.01 0.98 0.47 -0.08 -1.72 0.00 0.00 179.24 178.87 1ic2 h GLU 56 N 1.17 1.07 -0.79 3.56 4.57 -1.21 -1.00 114.58 121.94 1ic2 h GLU 56 Ca 0.27 -0.10 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 1ic2 h GLU 56 Cb 0.22 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 1ic2 h GLU 56 CO -0.02 0.76 0.40 1.25 -1.18 0.00 0.00 179.01 180.22 1ic2 h LEU 57 N 1.08 1.02 -0.56 1.64 5.85 -0.31 -1.66 115.31 122.37 1ic2 h LEU 57 Ca 0.28 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1ic2 h LEU 57 Cb -0.03 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.70 1ic2 h LEU 57 CO -0.05 0.86 0.32 0.44 -0.34 0.00 0.00 178.44 179.67 1ic2 h ASP 58 N 1.11 0.51 -0.98 1.25 3.32 -0.26 0.20 116.42 121.57 1ic2 h ASP 58 Ca 0.27 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.34 1ic2 h ASP 58 Cb 0.09 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1ic2 h ASP 58 CO -0.04 0.35 0.65 0.11 -1.72 0.00 0.00 179.24 178.59 1ic2 h LYS 59 N 0.63 1.29 -0.09 3.56 1.57 -0.49 -2.26 116.57 120.78 1ic2 h LYS 59 Ca 0.23 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.78 1ic2 h LYS 59 Cb 0.07 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 1ic2 h LYS 59 CO -0.12 0.85 -0.62 1.88 -0.57 0.00 0.00 179.45 180.87 1ic2 h TYR 60 N 1.33 0.43 -0.33 -1.35 -1.99 -0.62 -2.77 116.97 111.67 1ic2 h TYR 60 Ca 0.36 -0.17 0.01 0.00 2.00 0.00 0.00 58.73 60.93 1ic2 h TYR 60 Cb -0.15 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 38.48 1ic2 h TYR 60 CO 0.00 0.87 0.20 1.03 -0.00 0.00 0.00 178.16 180.26 1ic2 h SER 61 N 0.24 0.34 0.18 3.88 0.87 -0.42 -0.93 113.55 117.72 1ic2 h SER 61 Ca -0.01 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1ic2 h SER 61 Cb 1.15 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1ic2 h SER 61 CO 0.10 0.25 -0.09 -0.33 -0.53 0.00 0.00 176.83 176.23 1ic2 h GLU 62 N 0.41 -0.24 -0.38 2.24 4.39 -1.41 -1.96 114.58 117.63 1ic2 h GLU 62 Ca 0.13 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.91 1ic2 h GLU 62 Cb -0.02 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1ic2 h GLU 62 CO -0.05 -0.13 0.26 0.77 -1.16 0.00 0.00 179.01 178.71 1ic2 h SER 63 N -0.28 0.20 0.61 1.42 0.02 -1.32 0.25 113.55 114.45 1ic2 h SER 63 Ca -0.03 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.79 1ic2 h SER 63 Cb 0.22 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1ic2 h SER 63 CO 0.04 0.13 -0.63 0.25 -1.14 0.00 0.00 176.83 175.48 1ic2 h LEU 64 N 0.23 0.02 0.05 5.07 5.85 -0.80 -0.08 115.31 125.65 1ic2 h LEU 64 Ca 0.17 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1ic2 h LEU 64 Cb 0.39 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1ic2 h LEU 64 CO -0.03 0.65 -0.02 0.11 -0.34 0.00 0.00 178.44 178.80 1ic2 h LYS 65 N 0.01 -0.06 -0.19 1.25 1.57 0.19 0.64 116.57 119.98 1ic2 h LYS 65 Ca -0.01 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1ic2 h LYS 65 Cb 1.12 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1ic2 h LYS 65 CO 0.08 0.27 0.11 -0.44 -0.57 0.00 0.00 179.45 178.90 1ic2 h ASP 66 N -0.40 0.18 -1.00 0.86 3.32 -1.09 0.19 116.42 118.48 1ic2 h ASP 66 Ca -0.01 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.14 1ic2 h ASP 66 Cb 0.36 -0.04 -0.08 0.00 0.22 0.00 0.00 39.33 39.80 1ic2 h ASP 66 CO 0.01 0.13 0.64 0.00 -1.72 0.00 0.00 179.24 178.30 1ic2 h ALA 67 N 1.08 1.49 -0.37 3.45 0.00 -0.97 0.23 119.26 124.18 1ic2 h ALA 67 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ic2 h ALA 67 Cb -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1ic2 h ALA 67 CO -0.03 0.30 0.23 1.96 0.00 0.00 0.00 179.25 181.70 1ic2 h GLN 68 N 1.05 0.51 0.00 0.00 1.08 0.26 -1.84 115.11 116.17 1ic2 h GLN 68 Ca 0.47 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.63 1ic2 h GLN 68 Cb 0.38 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1ic2 h GLN 68 CO -0.23 0.37 0.00 -1.91 -0.95 0.00 0.00 178.83 176.12 1ic2 n GLU 69 N -4.79 0.00 0.01 1.46 2.13 0.62 -0.61 120.64 119.46 1ic2 n GLU 69 Ca -0.00 0.32 0.22 0.00 0.66 0.00 0.00 57.16 58.36 1ic2 n GLU 69 Cb 0.05 -1.19 0.63 0.00 0.27 0.00 0.00 31.44 31.20 1ic2 n GLU 69 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1ic2 h LYS 70 N 0.00 0.00 0.17 5.31 1.57 -1.11 0.58 116.57 123.09 1ic2 h LYS 70 Ca 0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1ic2 h LYS 70 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.34 1ic2 h LYS 70 CO 0.00 0.00 -1.31 1.25 -0.57 0.00 0.00 179.45 178.82 1ic2 h LEU 71 N 0.00 0.75 0.51 2.94 7.12 -1.09 -2.95 115.31 122.58 1ic2 h LEU 71 Ca 0.27 -0.74 -0.02 0.00 0.13 0.00 0.00 57.88 57.52 1ic2 h LEU 71 Cb 1.69 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 41.57 1ic2 h LEU 71 CO -0.00 1.57 -0.33 -0.33 -0.13 0.00 0.00 178.44 179.21 1ic2 h GLU 72 N 0.18 -0.78 -0.29 1.25 5.08 0.26 -3.00 114.58 117.28 1ic2 h GLU 72 Ca -0.20 0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 1ic2 h GLU 72 Cb 2.00 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 31.41 1ic2 h GLU 72 CO 0.24 -0.52 -0.11 1.37 -1.00 0.00 0.00 179.01 179.00 1ic2 h LEU 73 N -0.81 0.47 -1.69 1.33 8.10 -1.65 -2.55 115.31 118.52 1ic2 h LEU 73 Ca -0.06 -0.11 0.00 0.00 0.11 0.00 0.00 57.88 57.82 1ic2 h LEU 73 Cb 0.67 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.76 1ic2 h LEU 73 CO 0.04 0.61 0.00 0.00 -4.11 0.00 0.00 178.44 174.99 1ic2 n ALA 74 N -2.48 2.44 -0.12 0.17 0.00 -1.11 -3.61 120.51 115.79 1ic2 n ALA 74 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.20 1ic2 n ALA 74 Cb 0.31 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.67 1ic2 n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ic2 n ASP 75 N 0.37 1.79 -0.00 0.00 -0.08 -0.96 -4.68 116.55 112.99 1ic2 n ASP 75 Ca 0.00 0.23 -0.17 0.00 -1.51 0.00 0.00 54.79 53.34 1ic2 n ASP 75 Cb 0.40 -0.66 -0.12 0.00 2.34 0.00 0.00 41.12 43.08 1ic2 n ASP 75 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1ic2 h LYS 76 N -0.74 0.32 0.00 -0.67 3.64 -1.76 -3.53 116.57 113.84 1ic2 h LYS 76 Ca -0.60 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 58.41 1ic2 h LYS 76 Cb 1.58 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.51 1ic2 h LYS 76 CO -0.33 1.07 0.00 1.63 -2.27 0.00 0.00 179.45 179.55