#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zug n GLN 2 N 0.00 2.76 -3.52 0.03 3.00 -1.26 -2.60 117.38 115.79 1zug n GLN 2 Ca 0.00 -2.15 -0.13 0.00 -0.01 0.00 0.00 57.00 54.71 1zug n GLN 2 Cb 0.00 -2.93 -0.04 0.00 0.00 0.00 0.00 30.24 27.26 1zug n GLN 2 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1zug s THR 3 N 3.22 0.00 0.12 5.09 -1.32 -1.26 -4.79 115.64 116.70 1zug s THR 3 Ca 0.55 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.83 1zug s THR 3 Cb 0.15 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 70.13 1zug s THR 3 CO -0.04 0.00 1.05 0.18 -2.21 0.00 0.00 174.62 173.61 1zug n LEU 4 N 0.42 -0.66 -0.04 9.08 4.32 -1.15 -0.89 117.00 128.07 1zug n LEU 4 Ca -0.14 1.21 -0.13 0.00 -0.02 0.00 0.00 56.01 56.94 1zug n LEU 4 Cb 0.59 -0.18 -0.08 0.00 -1.62 0.00 0.00 43.42 42.13 1zug n LEU 4 CO 0.17 -1.01 0.61 0.77 -1.22 0.00 0.00 177.39 176.71 1zug h SER 5 N 0.00 0.27 0.20 -1.43 4.64 -1.80 -1.87 113.55 113.56 1zug h SER 5 Ca 0.14 -0.48 -0.01 0.00 -0.47 0.00 0.00 61.79 60.97 1zug h SER 5 Cb 0.31 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1zug h SER 5 CO -0.65 0.70 -0.10 -0.08 -0.87 0.00 0.00 176.83 175.83 1zug h GLU 6 N -0.15 -0.26 -0.34 4.77 4.81 -1.66 -0.81 114.58 120.94 1zug h GLU 6 Ca 0.02 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1zug h GLU 6 Cb 0.62 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 1zug h GLU 6 CO 0.03 0.07 0.19 -0.09 -0.73 0.00 0.00 179.01 178.47 1zug h ARG 7 N -0.62 0.48 0.10 1.92 9.65 -0.75 -1.85 114.38 123.31 1zug h ARG 7 Ca -0.03 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1zug h ARG 7 Cb 0.45 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.94 1zug h ARG 7 CO 0.05 0.40 -0.05 1.25 2.80 0.00 0.00 179.97 184.42 1zug h LEU 8 N 0.43 -0.11 -0.24 3.80 5.85 -1.32 -3.13 115.31 120.59 1zug h LEU 8 Ca 0.12 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.79 1zug h LEU 8 Cb 0.06 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1zug h LEU 8 CO -0.02 0.03 -0.05 0.50 -0.34 0.00 0.00 178.44 178.57 1zug h LYS 9 N -0.25 0.02 -0.93 1.25 3.64 -0.95 -2.38 116.57 116.97 1zug h LYS 9 Ca -0.01 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.47 1zug h LYS 9 Cb 0.21 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.95 1zug h LYS 9 CO 0.02 0.01 0.60 0.87 -2.27 0.00 0.00 179.45 178.68 1zug h LYS 10 N 0.02 0.91 -0.27 1.90 1.79 -1.34 -1.50 116.57 118.07 1zug h LYS 10 Ca 0.11 -0.05 -0.16 0.00 -2.18 0.00 0.00 60.65 58.37 1zug h LYS 10 Cb 0.17 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 1zug h LYS 10 CO -0.23 0.60 -0.47 -0.09 -1.08 0.00 0.00 179.45 178.17 1zug h ARG 11 N 0.93 0.72 -0.85 3.15 9.65 -1.42 -2.36 114.38 124.21 1zug h ARG 11 Ca 0.44 -0.42 0.07 0.00 -1.10 0.00 0.00 59.98 58.97 1zug h ARG 11 Cb 0.42 0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.97 1zug h ARG 11 CO -0.20 1.04 0.52 0.00 2.80 0.00 0.00 179.97 184.12 1zug h ARG 12 N 0.58 0.90 -0.01 0.20 3.08 -0.79 -1.98 114.38 116.35 1zug h ARG 12 Ca 0.03 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1zug h ARG 12 Cb 1.03 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 1zug h ARG 12 CO 0.10 0.59 0.00 0.82 -1.07 0.00 0.00 179.97 180.41 1zug h ILE 13 N 0.92 1.11 -0.92 2.04 1.08 -1.17 0.14 117.51 120.72 1zug h ILE 13 Ca 0.38 -0.33 0.13 0.00 -0.39 0.00 0.00 64.86 64.65 1zug h ILE 13 Cb 0.22 1.32 -0.09 0.00 -3.07 0.00 0.00 36.82 35.20 1zug h ILE 13 CO -0.19 0.09 0.54 0.00 -0.69 0.00 0.00 178.15 177.89 1zug h ALA 14 N 0.87 1.38 -0.00 1.87 0.00 -0.84 0.41 119.26 122.94 1zug h ALA 14 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1zug h ALA 14 Cb 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1zug h ALA 14 CO -0.00 0.08 -0.10 1.28 0.00 0.00 0.00 179.25 180.51 1zug n LEU 15 N -4.73 0.28 -3.56 0.00 4.77 -0.84 -4.93 117.00 107.99 1zug n LEU 15 Ca 0.17 0.15 -0.26 0.00 -0.03 0.00 0.00 56.01 56.05 1zug n LEU 15 Cb 0.38 -0.26 0.04 0.00 -2.33 0.00 0.00 43.42 41.24 1zug n LEU 15 CO 0.25 0.06 0.09 0.29 -1.33 0.00 0.00 177.39 176.75 1zug n LYS 16 N -1.18 -5.61 -3.76 3.23 5.02 0.13 -4.97 118.16 111.03 1zug n LYS 16 Ca 0.12 0.70 -0.37 0.00 -2.02 0.00 0.00 58.31 56.75 1zug n LYS 16 Cb 0.28 -5.60 -0.13 0.00 -0.02 0.00 0.00 35.03 29.57 1zug n LYS 16 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1zug s MET 17 N -6.26 3.58 0.52 1.97 1.75 0.42 -5.00 119.30 116.29 1zug s MET 17 Ca 0.53 -0.52 -0.17 0.00 -1.25 0.00 0.00 55.69 54.28 1zug s MET 17 Cb -0.25 -3.32 -0.07 0.00 2.84 0.00 0.00 34.83 34.03 1zug s MET 17 CO 0.65 -0.22 1.00 0.95 -0.65 0.00 0.00 175.02 176.76 1zug s THR 18 N 1.60 4.34 0.28 10.11 -4.23 -1.26 -4.60 115.64 121.88 1zug s THR 18 Ca 0.06 1.16 -0.03 0.00 -1.18 0.00 0.00 61.69 61.70 1zug s THR 18 Cb -0.15 -3.63 0.26 0.00 1.34 0.00 0.00 72.50 70.32 1zug s THR 18 CO 0.03 -0.61 1.94 1.56 -0.54 0.00 0.00 174.62 177.01 1zug h GLN 19 N 0.91 1.16 0.00 3.99 4.20 -1.97 0.35 115.11 123.75 1zug h GLN 19 Ca -0.47 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.16 1zug h GLN 19 Cb 1.19 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 28.71 1zug h GLN 19 CO 0.60 0.77 -0.05 0.00 -0.67 0.00 0.00 178.83 179.49 1zug h THR 20 N 1.20 1.01 -0.13 -0.54 1.03 -1.93 0.41 112.91 113.96 1zug h THR 20 Ca 0.34 -0.16 -0.08 0.00 -0.01 0.00 0.00 66.41 66.50 1zug h THR 20 Cb -0.09 1.09 -0.00 0.00 -1.07 0.00 0.00 68.15 68.08 1zug h THR 20 CO -0.09 0.05 -0.22 -0.33 -0.01 0.00 0.00 175.52 174.92 1zug h GLU 21 N 0.00 0.38 -0.23 0.00 4.39 -1.63 -2.00 114.58 115.49 1zug h GLU 21 Ca -0.00 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 1zug h GLU 21 Cb 0.08 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1zug h GLU 21 CO 0.01 0.82 0.10 1.25 -1.16 0.00 0.00 179.01 180.03 1zug h LEU 22 N -0.03 0.32 -0.53 1.33 5.85 -0.65 -1.78 115.31 119.81 1zug h LEU 22 Ca 0.01 -0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.68 1zug h LEU 22 Cb 0.80 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.65 1zug h LEU 22 CO 0.05 0.38 -0.04 0.00 -0.34 0.00 0.00 178.44 178.49 1zug h ALA 23 N 0.95 0.46 0.05 1.25 0.00 -0.24 0.27 119.26 122.00 1zug h ALA 23 Ca 0.08 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1zug h ALA 23 Cb 0.16 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1zug h ALA 23 CO -0.01 -0.41 -0.28 1.15 0.00 0.00 0.00 179.25 179.71 1zug h THR 24 N 0.07 0.39 -0.50 0.00 2.02 -1.04 0.10 112.91 113.96 1zug h THR 24 Ca 0.27 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.41 1zug h THR 24 Cb 0.41 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1zug h THR 24 CO -0.48 0.00 0.18 0.11 0.37 0.00 0.00 175.52 175.70 1zug h LYS 25 N -0.45 0.76 0.00 6.66 6.56 -0.65 -2.83 116.57 126.62 1zug h LYS 25 Ca 0.05 -0.15 -0.04 0.00 -1.06 0.00 0.00 60.65 59.44 1zug h LYS 25 Cb 0.51 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 32.05 1zug h LYS 25 CO -0.20 0.69 -0.21 0.00 -2.06 0.00 0.00 179.45 177.67 1zug h ALA 26 N 1.03 1.00 0.00 3.86 0.00 -0.42 -3.44 119.26 121.29 1zug h ALA 26 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1zug h ALA 26 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1zug h ALA 26 CO -0.01 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.91 1zug n GLY 27 N 0.21 2.99 3.61 0.00 0.00 0.30 -4.72 105.19 107.59 1zug n GLY 27 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1zug n GLY 27 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1zug s VAL 28 N -2.12 5.15 0.29 1.61 -7.23 -0.93 -4.86 120.40 112.32 1zug s VAL 28 Ca 0.00 0.63 -0.30 0.00 -1.81 0.00 0.00 61.98 60.50 1zug s VAL 28 Cb 0.00 -3.72 -0.11 0.00 0.56 0.00 0.00 36.38 33.10 1zug s VAL 28 CO 0.00 0.14 1.58 -0.75 -0.31 0.00 0.00 175.10 175.76 1zug s LYS 29 N 2.11 4.13 0.08 4.82 2.47 -1.26 -4.34 119.74 127.75 1zug s LYS 29 Ca 0.16 2.56 -0.05 0.00 -1.56 0.00 0.00 55.97 57.08 1zug s LYS 29 Cb -0.16 -3.03 0.09 0.00 -1.46 0.00 0.00 37.83 33.27 1zug s LYS 29 CO 0.10 -0.61 0.50 0.94 0.16 0.00 0.00 175.35 176.43 1zug n GLN 30 N 2.13 -0.07 -0.41 4.03 7.27 -1.26 -1.30 117.38 127.77 1zug n GLN 30 Ca 0.08 0.49 0.35 0.00 0.07 0.00 0.00 57.00 57.99 1zug n GLN 30 Cb 0.38 -0.73 0.62 0.00 2.41 0.00 0.00 30.24 32.92 1zug n GLN 30 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 1zug h GLN 31 N 0.00 0.07 -0.03 3.69 7.50 -1.94 -0.56 115.11 123.85 1zug h GLN 31 Ca 0.12 -0.00 0.02 0.00 0.50 0.00 0.00 58.65 59.28 1zug h GLN 31 Cb 0.20 -0.02 -0.05 0.00 0.05 0.00 0.00 27.48 27.66 1zug h GLN 31 CO -0.32 0.05 -0.52 0.66 -1.50 0.00 0.00 178.83 177.20 1zug h SER 32 N 0.07 -1.61 0.57 1.46 4.64 -1.49 -2.02 113.55 115.17 1zug h SER 32 Ca 0.83 0.18 -0.10 0.00 -0.47 0.00 0.00 61.79 62.23 1zug h SER 32 Cb 2.45 0.61 -0.01 0.00 -0.31 0.00 0.00 62.40 65.14 1zug h SER 32 CO -0.54 -0.50 -0.48 0.40 -0.87 0.00 0.00 176.83 174.84 1zug h ILE 33 N -0.63 1.27 -0.60 0.95 2.04 -1.36 -2.84 117.51 116.33 1zug h ILE 33 Ca 0.01 -1.70 -0.06 0.00 1.00 0.00 0.00 64.86 64.12 1zug h ILE 33 Cb 0.69 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 1zug h ILE 33 CO -0.36 0.47 0.16 1.56 0.00 0.00 0.00 178.15 179.98 1zug h GLN 34 N 0.00 0.95 -0.36 2.37 4.20 -0.84 -1.44 115.11 119.99 1zug h GLN 34 Ca -0.00 -0.22 0.11 0.00 0.06 0.00 0.00 58.65 58.59 1zug h GLN 34 Cb 0.90 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 1zug h GLN 34 CO 0.06 0.87 0.33 -0.07 -0.67 0.00 0.00 178.83 179.35 1zug h LEU 35 N 0.86 0.00 0.11 1.46 4.07 -1.13 0.49 115.31 121.17 1zug h LEU 35 Ca 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.14 1zug h LEU 35 Cb 0.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1zug h LEU 35 CO -0.00 0.00 -0.05 0.40 -1.08 0.00 0.00 178.44 177.71 1zug h ILE 36 N 0.00 0.73 0.00 1.22 2.04 -1.48 -1.47 117.51 118.55 1zug h ILE 36 Ca 0.17 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.73 1zug h ILE 36 Cb 0.84 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1zug h ILE 36 CO -0.00 0.22 -0.04 -0.08 0.00 0.00 0.00 178.15 178.25 1zug h GLU 37 N -0.96 0.00 -0.17 2.37 4.22 -0.25 0.27 114.58 120.05 1zug h GLU 37 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1zug h GLU 37 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1zug h GLU 37 CO 0.02 0.04 0.00 0.00 -2.18 0.00 0.00 179.01 176.89 1zug n ALA 38 N -2.33 2.51 -3.50 2.92 0.00 0.16 -4.69 120.51 115.59 1zug n ALA 38 Ca -0.03 -0.54 -0.19 0.00 0.00 0.00 0.00 53.44 52.68 1zug n ALA 38 Cb 0.13 -1.08 0.08 0.00 0.00 0.00 0.00 19.45 18.58 1zug n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1zug n GLY 39 N 1.14 -0.41 0.57 0.00 0.00 0.08 -4.93 105.19 101.65 1zug n GLY 39 Ca 0.16 0.15 -0.15 0.00 0.00 0.00 0.00 46.02 46.18 1zug n GLY 39 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1zug n VAL 40 N -4.39 0.78 -3.16 1.61 0.31 -0.79 -4.94 118.33 107.74 1zug n VAL 40 Ca -0.20 -0.18 -0.45 0.00 -0.01 0.00 0.00 64.34 63.49 1zug n VAL 40 Cb 0.64 -1.70 -0.04 0.00 -0.91 0.00 0.00 33.84 31.84 1zug n VAL 40 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1zug s THR 41 N -2.26 5.05 0.18 2.52 2.01 -0.62 -4.93 115.64 117.59 1zug s THR 41 Ca -0.19 -1.51 -0.14 0.00 0.31 0.00 0.00 61.69 60.15 1zug s THR 41 Cb 0.07 -4.51 0.13 0.00 0.01 0.00 0.00 72.50 68.20 1zug s THR 41 CO 0.24 -1.13 1.68 0.11 -0.69 0.00 0.00 174.62 174.83 1zug h LYS 42 N 8.75 0.08 -3.61 4.92 6.56 -1.92 -3.35 116.57 128.01 1zug h LYS 42 Ca -0.13 -0.00 -0.57 0.00 -1.06 0.00 0.00 60.65 58.89 1zug h LYS 42 Cb 1.07 -0.02 -0.40 0.00 -0.57 0.00 0.00 32.23 32.31 1zug h LYS 42 CO 1.01 0.05 -0.76 0.50 -2.06 0.00 0.00 179.45 178.19 1zug s ARG 43 N -6.18 0.76 -0.08 3.15 3.52 -1.26 -4.99 118.95 113.87 1zug s ARG 43 Ca -0.14 -0.90 -0.30 0.00 -0.13 0.00 0.00 55.73 54.27 1zug s ARG 43 Cb 0.16 -2.05 -0.02 0.00 -1.56 0.00 0.00 34.95 31.47 1zug s ARG 43 CO 0.72 -0.87 1.10 -1.25 -0.81 0.00 0.00 175.30 174.19 1zug s PRO 44 N 1.67 4.39 0.49 5.12 0.04 -1.26 -4.97 135.00 140.48 1zug s PRO 44 Ca 0.06 1.53 0.23 0.00 0.04 0.00 0.00 61.00 62.86 1zug s PRO 44 Cb -0.17 -3.55 1.27 0.00 0.04 0.00 0.00 34.50 32.09 1zug s PRO 44 CO -0.20 -0.38 2.03 0.07 0.04 0.00 0.00 177.00 178.56 1zug h ARG 45 N 7.26 0.00 -0.83 4.56 -0.00 -2.00 -2.70 114.38 120.67 1zug h ARG 45 Ca -0.33 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.65 1zug h ARG 45 Cb 1.15 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.12 1zug h ARG 45 CO 0.87 0.16 0.01 1.97 -0.00 0.00 0.00 179.97 182.97 1zug n PHE 46 N -3.85 0.89 0.17 4.08 1.16 -1.26 -4.48 117.46 114.17 1zug n PHE 46 Ca -0.02 -0.32 0.03 0.00 -1.87 0.00 0.00 57.45 55.27 1zug n PHE 46 Cb 0.26 -0.28 0.43 0.00 -1.61 0.00 0.00 39.48 38.27 1zug n PHE 46 CO 0.00 0.00 0.00 1.37 -1.87 0.00 0.00 176.76 176.26 1zug h LEU 47 N 1.66 0.11 -0.19 5.98 -0.00 -1.88 -2.16 115.31 118.84 1zug h LEU 47 Ca 0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.84 1zug h LEU 47 Cb 1.14 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.76 1zug h LEU 47 CO 0.21 0.31 0.03 0.15 -0.00 0.00 0.00 178.44 179.14 1zug h PHE 48 N 0.11 0.33 -0.10 0.17 3.04 -1.87 0.18 116.94 118.81 1zug h PHE 48 Ca 0.02 -0.05 0.01 0.00 3.98 0.00 0.00 57.97 61.94 1zug h PHE 48 Cb 0.39 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 1zug h PHE 48 CO 0.00 0.47 0.02 0.93 -2.02 0.00 0.00 178.31 177.71 1zug h GLU 49 N 0.10 0.06 -0.11 1.11 3.07 -1.73 -1.72 114.58 115.35 1zug h GLU 49 Ca 0.06 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.90 1zug h GLU 49 Cb 0.32 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1zug h GLU 49 CO 0.00 0.04 0.03 0.82 -1.40 0.00 0.00 179.01 178.50 1zug h ILE 50 N 0.06 1.19 -0.44 3.13 2.04 -1.38 -1.44 117.51 120.67 1zug h ILE 50 Ca 0.04 -0.60 0.09 0.00 1.00 0.00 0.00 64.86 65.39 1zug h ILE 50 Cb 0.04 1.38 -0.08 0.00 -0.74 0.00 0.00 36.82 37.42 1zug h ILE 50 CO -0.06 0.17 -0.03 0.00 0.00 0.00 0.00 178.15 178.23 1zug h ALA 51 N 0.82 0.38 -0.31 1.87 0.00 -0.77 0.37 119.26 121.62 1zug h ALA 51 Ca 0.04 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1zug h ALA 51 Cb 0.25 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1zug h ALA 51 CO 0.00 -0.41 -0.01 0.52 0.00 0.00 0.00 179.25 179.35 1zug h MET 52 N 0.08 0.56 -0.64 0.00 2.86 -1.19 0.21 114.93 116.80 1zug h MET 52 Ca 0.22 -0.19 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1zug h MET 52 Cb 0.33 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 1zug h MET 52 CO -0.39 0.71 0.43 0.00 1.06 0.00 0.00 176.91 178.71 1zug h ALA 53 N 0.83 1.57 -0.60 6.32 0.00 -0.57 -2.03 119.26 124.79 1zug h ALA 53 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1zug h ALA 53 Cb 0.46 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1zug h ALA 53 CO 0.02 0.38 0.00 -0.11 0.00 0.00 0.00 179.25 179.54 1zug n LEU 54 N -4.45 3.53 -3.89 0.00 7.94 0.12 -4.91 117.00 115.35 1zug n LEU 54 Ca 0.07 -1.71 -0.27 0.00 -1.11 0.00 0.00 56.01 52.99 1zug n LEU 54 Cb 0.07 -0.40 0.01 0.00 0.53 0.00 0.00 43.42 43.63 1zug n LEU 54 CO 0.36 0.85 -0.03 0.59 -1.11 0.00 0.00 177.39 178.04 1zug n ASN 55 N 1.45 -2.52 -1.79 1.96 3.02 -0.26 -4.93 115.26 112.18 1zug n ASN 55 Ca 0.22 -0.86 -0.06 0.00 -0.03 0.00 0.00 54.58 53.84 1zug n ASN 55 Cb 0.57 -3.65 -0.02 0.00 -0.61 0.00 0.00 39.78 36.07 1zug n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1zug s ASP 57 N -1.85 6.35 0.12 0.00 -1.08 -1.26 -3.97 116.67 114.98 1zug s ASP 57 Ca 0.13 0.41 -0.23 0.00 -0.52 0.00 0.00 52.55 52.34 1zug s ASP 57 Cb 0.00 -2.10 -0.04 0.00 -1.46 0.00 0.00 42.92 39.32 1zug s ASP 57 CO 0.09 0.30 1.66 -0.65 0.52 0.00 0.00 175.17 177.09 1zug h PRO 58 N 5.72 -0.24 -0.61 4.34 0.11 -1.92 -1.33 132.00 138.07 1zug h PRO 58 Ca -0.49 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1zug h PRO 58 Cb 1.19 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1zug h PRO 58 CO 0.66 -0.16 0.26 0.28 -0.21 0.00 0.00 178.00 178.83 1zug h VAL 59 N -0.25 1.21 -0.00 3.15 2.07 -1.94 -3.16 116.25 117.33 1zug h VAL 59 Ca 0.07 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1zug h VAL 59 Cb 0.35 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1zug h VAL 59 CO -0.20 0.26 -0.00 -0.25 0.02 0.00 0.00 177.57 177.39 1zug h TRP 60 N 0.87 0.00 0.00 1.57 7.01 -0.55 0.28 115.95 125.12 1zug h TRP 60 Ca 0.21 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.21 1zug h TRP 60 Cb 0.14 -0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.20 1zug h TRP 60 CO 0.01 0.32 -0.00 1.37 -2.79 0.00 0.00 178.44 177.35 1zug h LEU 61 N -0.32 0.00 0.02 0.65 8.10 -1.23 0.33 115.31 122.86 1zug h LEU 61 Ca 0.00 0.00 -0.38 0.00 0.11 0.00 0.00 57.88 57.61 1zug h LEU 61 Cb 0.32 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.48 1zug h LEU 61 CO 0.00 0.00 -2.16 1.67 -4.11 0.00 0.00 178.44 173.84 1zug n GLN 62 N -3.16 0.62 -0.01 0.17 7.27 -0.98 -4.01 117.38 117.28 1zug n GLN 62 Ca -0.03 0.31 0.03 0.00 0.07 0.00 0.00 57.00 57.39 1zug n GLN 62 Cb 0.10 -1.59 -0.06 0.00 2.41 0.00 0.00 30.24 31.10 1zug n GLN 62 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1zug n TYR 63 N -3.98 0.00 -0.78 3.69 4.01 0.96 -2.93 117.16 118.13 1zug n TYR 63 Ca -0.45 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.29 1zug n TYR 63 Cb 0.88 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.71 1zug n TYR 63 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1zug n GLY 64 N 2.11 0.62 3.06 2.72 0.00 0.12 -4.18 105.19 109.63 1zug n GLY 64 Ca -0.03 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 1zug n GLY 64 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1zug s THR 65 N -2.00 0.64 0.11 2.61 -1.32 -1.26 -4.54 115.64 109.89 1zug s THR 65 Ca 0.00 -0.91 -0.08 0.00 -1.21 0.00 0.00 61.69 59.49 1zug s THR 65 Cb 0.00 -0.65 -0.06 0.00 -1.51 0.00 0.00 72.50 70.28 1zug s THR 65 CO 0.00 -0.21 0.41 -0.54 -2.21 0.00 0.00 174.62 172.07 1zug s LYS 66 N -1.23 3.73 -0.36 7.08 1.02 -0.82 -1.48 119.74 127.68 1zug s LYS 66 Ca -0.05 0.12 -0.36 0.00 0.02 0.00 0.00 55.97 55.69 1zug s LYS 66 Cb -0.08 -2.92 -0.12 0.00 -0.52 0.00 0.00 37.83 34.19 1zug s LYS 66 CO 0.01 0.51 2.16 -2.13 -0.92 0.00 0.00 175.35 174.97 1zug n ARG 67 N 0.56 0.98 0.00 1.68 0.63 -1.26 -2.26 116.66 116.99 1zug n ARG 67 Ca -0.05 0.27 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 1zug n ARG 67 Cb 0.52 -2.34 0.00 0.00 0.45 0.00 0.00 32.46 31.09 1zug n ARG 67 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1zug n GLY 68 N 6.51 2.08 3.56 5.14 0.00 -1.26 -4.87 105.19 116.35 1zug n GLY 68 Ca 0.42 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 1zug n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zug s LYS 69 N 0.00 2.96 -1.09 1.61 1.02 -0.96 -4.90 119.74 118.38 1zug s LYS 69 Ca 0.00 0.41 -0.16 0.00 0.02 0.00 0.00 55.97 56.24 1zug s LYS 69 Cb 0.00 -4.27 -0.07 0.00 -0.52 0.00 0.00 37.83 32.97 1zug s LYS 69 CO 0.00 -2.36 2.13 0.00 -0.92 0.00 0.00 175.35 174.20 1zug n ALA 70 N 11.07 4.58 -1.56 5.17 0.00 -1.25 -1.95 120.51 136.55 1zug n ALA 70 Ca 0.14 -3.35 0.00 0.00 0.00 0.00 0.00 53.44 50.24 1zug n ALA 70 Cb 0.50 -3.50 0.00 0.00 0.00 0.00 0.00 19.45 16.45 1zug n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50