#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 1.26 -4.53 2.12 7.27 -1.26 -2.09 117.38 120.15 1zug n GLN 2 Ca 0.00 -0.51 -0.26 0.00 0.07 0.00 0.00 57.00 56.30 1zug n GLN 2 Cb 0.00 -1.20 -0.10 0.00 2.41 0.00 0.00 30.24 31.34 1zug n GLN 2 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1zug s THR 3 N -0.74 2.28 0.50 1.69 -4.23 -1.26 -2.52 115.64 111.36 1zug s THR 3 Ca 0.10 -2.24 0.43 0.00 -1.18 0.00 0.00 61.69 58.80 1zug s THR 3 Cb 0.08 -2.58 0.65 0.00 1.34 0.00 0.00 72.50 71.98 1zug s THR 3 CO 0.00 -0.24 1.51 0.18 -0.54 0.00 0.00 174.62 175.53 1zug n LEU 4 N -0.76 0.07 -0.04 4.79 4.32 -1.19 -1.93 117.00 122.26 1zug n LEU 4 Ca -0.05 1.08 -0.05 0.00 -0.02 0.00 0.00 56.01 56.97 1zug n LEU 4 Cb 0.63 -0.54 -0.02 0.00 -1.62 0.00 0.00 43.42 41.87 1zug n LEU 4 CO 0.42 -1.12 -0.38 -1.54 -1.22 0.00 0.00 177.39 173.56 1zug n SER 5 N -4.11 1.34 0.13 -1.43 3.41 -1.26 -4.23 113.62 107.47 1zug n SER 5 Ca 0.42 0.22 -0.13 0.00 -0.26 0.00 0.00 58.87 59.11 1zug n SER 5 Cb 1.82 -0.56 -0.07 0.00 -0.26 0.00 0.00 64.21 65.14 1zug n SER 5 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1zug h GLU 6 N -0.55 -0.28 -0.29 4.33 5.08 -1.77 -1.52 114.58 119.57 1zug h GLU 6 Ca 0.00 0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1zug h GLU 6 Cb 0.55 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1zug h GLU 6 CO 0.00 -0.19 -0.19 -0.09 -1.00 0.00 0.00 179.01 177.54 1zug h ARG 7 N -0.29 0.64 -0.62 2.33 2.43 -0.82 -2.92 114.38 115.14 1zug h ARG 7 Ca -0.01 -0.30 0.07 0.00 -0.81 0.00 0.00 59.98 58.93 1zug h ARG 7 Cb 0.26 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 1zug h ARG 7 CO -0.00 0.89 0.30 -0.07 -1.51 0.00 0.00 179.97 179.58 1zug h LEU 8 N 0.39 0.39 -0.28 3.80 4.07 -1.60 -1.03 115.31 121.05 1zug h LEU 8 Ca 0.06 0.05 0.07 0.00 0.08 0.00 0.00 57.88 58.14 1zug h LEU 8 Cb 0.73 -0.01 -0.07 0.00 1.08 0.00 0.00 40.66 42.38 1zug h LEU 8 CO 0.05 0.24 -0.19 0.11 -1.08 0.00 0.00 178.44 177.57 1zug h LYS 9 N 0.54 -0.16 -0.26 1.13 1.57 -1.08 -0.19 116.57 118.12 1zug h LYS 9 Ca 0.30 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1zug h LYS 9 Cb 0.27 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1zug h LYS 9 CO -0.23 -0.11 0.17 -0.22 -0.57 0.00 0.00 179.45 178.49 1zug h LYS 10 N -0.17 0.34 -0.44 3.15 1.63 -1.37 -2.88 116.57 116.83 1zug h LYS 10 Ca 0.15 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.87 1zug h LYS 10 Cb 0.40 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.93 1zug h LYS 10 CO -0.38 0.23 0.04 -0.09 -3.45 0.00 0.00 179.45 175.80 1zug h ARG 11 N 0.35 0.68 -0.68 1.90 9.65 -0.72 -0.84 114.38 124.73 1zug h ARG 11 Ca 0.10 -0.15 0.09 0.00 -1.10 0.00 0.00 59.98 58.91 1zug h ARG 11 Cb -0.04 -0.10 -0.07 0.00 -1.39 0.00 0.00 29.97 28.38 1zug h ARG 11 CO -0.02 0.67 0.34 0.00 2.80 0.00 0.00 179.97 183.76 1zug h ARG 12 N 0.65 0.57 0.32 0.20 3.08 -0.86 -0.70 114.38 117.65 1zug h ARG 12 Ca 0.14 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1zug h ARG 12 Cb 0.34 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1zug h ARG 12 CO 0.01 0.38 -0.16 0.82 -1.07 0.00 0.00 179.97 179.95 1zug h ILE 13 N 0.58 0.70 -0.84 2.04 2.04 -1.19 0.31 117.51 121.16 1zug h ILE 13 Ca 0.33 -0.29 0.20 0.00 1.00 0.00 0.00 64.86 66.10 1zug h ILE 13 Cb 0.34 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 1zug h ILE 13 CO -0.26 0.06 0.56 0.00 0.00 0.00 0.00 178.15 178.52 1zug h ALA 14 N 0.03 2.31 -0.56 1.87 0.00 -0.89 0.22 119.26 122.24 1zug h ALA 14 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1zug h ALA 14 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1zug h ALA 14 CO 0.07 -0.56 0.00 1.28 0.00 0.00 0.00 179.25 180.05 1zug n LEU 15 N -4.46 3.11 -3.84 0.00 4.77 -0.29 -4.96 117.00 111.34 1zug n LEU 15 Ca 0.17 -1.53 -0.30 0.00 -0.03 0.00 0.00 56.01 54.32 1zug n LEU 15 Cb 0.69 -0.37 0.02 0.00 -2.33 0.00 0.00 43.42 41.43 1zug n LEU 15 CO 0.33 0.77 0.08 0.29 -1.33 0.00 0.00 177.39 177.52 1zug n LYS 16 N 1.21 -5.03 -4.75 3.23 5.02 0.06 -4.98 118.16 112.92 1zug n LYS 16 Ca 0.20 0.58 -0.33 0.00 -2.02 0.00 0.00 58.31 56.73 1zug n LYS 16 Cb 0.50 -5.44 -0.13 0.00 -0.02 0.00 0.00 35.03 29.95 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 -6.54 2.86 0.09 1.97 1.75 0.10 -5.01 119.30 114.53 1zug s MET 17 Ca 0.63 -0.63 0.04 0.00 -1.25 0.00 0.00 55.69 54.47 1zug s MET 17 Cb -0.32 -2.54 -0.04 0.00 2.84 0.00 0.00 34.83 34.77 1zug s MET 17 CO 0.78 0.52 0.07 -0.08 -0.65 0.00 0.00 175.02 175.66 1zug s THR 18 N -0.44 4.45 0.21 10.11 -1.32 -1.26 -4.15 115.64 123.24 1zug s THR 18 Ca 0.06 -0.84 -0.09 0.00 -1.21 0.00 0.00 61.69 59.61 1zug s THR 18 Cb -0.12 -3.16 0.15 0.00 -1.51 0.00 0.00 72.50 67.86 1zug s THR 18 CO 0.02 0.09 1.75 1.56 -2.21 0.00 0.00 174.62 175.84 1zug h GLN 19 N 3.20 0.43 -0.90 7.08 4.20 -1.99 -1.02 115.11 126.12 1zug h GLN 19 Ca -0.47 -0.03 0.17 0.00 0.06 0.00 0.00 58.65 58.39 1zug h GLN 19 Cb 1.17 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.78 1zug h GLN 19 CO 0.65 0.29 0.58 0.00 -0.67 0.00 0.00 178.83 179.68 1zug h THR 20 N 0.45 0.76 -0.09 -0.54 1.03 -1.97 0.22 112.91 112.77 1zug h THR 20 Ca 0.31 -0.20 -0.01 0.00 -0.01 0.00 0.00 66.41 66.51 1zug h THR 20 Cb 0.37 0.12 -0.00 0.00 -1.07 0.00 0.00 68.15 67.58 1zug h THR 20 CO -0.30 0.11 0.03 -0.08 -0.01 0.00 0.00 175.52 175.27 1zug h GLU 21 N 0.58 0.14 -0.60 0.00 4.81 -1.62 -0.85 114.58 117.04 1zug h GLU 21 Ca 0.47 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.67 1zug h GLU 21 Cb 0.92 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.25 1zug h GLU 21 CO -0.21 0.30 0.37 1.25 -0.73 0.00 0.00 179.01 179.99 1zug h LEU 22 N -0.05 0.71 0.22 1.64 5.85 -0.69 -0.95 115.31 122.03 1zug h LEU 22 Ca 0.03 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1zug h LEU 22 Cb 0.22 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1zug h LEU 22 CO -0.00 0.55 -0.17 0.00 -0.34 0.00 0.00 178.44 178.48 1zug h ALA 23 N 1.19 -0.37 -0.24 1.25 0.00 -0.35 0.23 119.26 120.98 1zug h ALA 23 Ca 0.22 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1zug h ALA 23 Cb -0.04 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 1zug h ALA 23 CO -0.04 -0.72 -0.26 1.15 0.00 0.00 0.00 179.25 179.38 1zug h THR 24 N -0.39 0.37 -0.57 0.00 2.02 -0.88 0.18 112.91 113.64 1zug h THR 24 Ca -0.01 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 1zug h THR 24 Cb 0.35 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1zug h THR 24 CO -0.01 0.00 0.06 0.11 0.37 0.00 0.00 175.52 176.05 1zug h LYS 25 N -0.27 0.96 0.00 6.66 1.57 -0.93 -1.82 116.57 122.74 1zug h LYS 25 Ca 0.13 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1zug h LYS 25 Cb 0.48 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1zug h LYS 25 CO -0.39 0.93 0.00 0.00 -0.57 0.00 0.00 179.45 179.42 1zug n ALA 26 N -2.44 2.33 -2.32 3.86 0.00 0.79 -4.71 120.51 118.01 1zug n ALA 26 Ca 0.02 -0.14 -0.14 0.00 0.00 0.00 0.00 53.44 53.19 1zug n ALA 26 Cb 0.29 -1.37 -0.00 0.00 0.00 0.00 0.00 19.45 18.37 1zug n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1zug n GLY 27 N 0.42 -0.18 2.92 0.00 0.00 -0.50 -4.71 105.19 103.14 1zug n GLY 27 Ca 0.17 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 1zug n GLY 27 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1zug n VAL 28 N -4.02 0.00 -2.91 1.61 0.24 0.51 -5.00 118.33 108.76 1zug n VAL 28 Ca -0.15 -2.14 -0.31 0.00 -2.04 0.00 0.00 64.34 59.70 1zug n VAL 28 Cb 0.62 0.93 -0.04 0.00 -1.47 0.00 0.00 33.84 33.88 1zug n VAL 28 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1zug s LYS 29 N -3.29 3.82 0.18 7.34 -0.14 -1.26 -3.63 119.74 122.76 1zug s LYS 29 Ca 0.27 0.50 -0.13 0.00 -1.36 0.00 0.00 55.97 55.25 1zug s LYS 29 Cb 0.01 -2.40 0.09 0.00 -1.68 0.00 0.00 37.83 33.85 1zug s LYS 29 CO 0.19 -0.00 1.85 0.37 -0.76 0.00 0.00 175.35 177.00 1zug h GLN 30 N 1.44 0.77 -0.99 1.68 4.15 -1.91 -2.51 115.11 117.74 1zug h GLN 30 Ca -0.47 -0.05 0.18 0.00 0.77 0.00 0.00 58.65 59.08 1zug h GLN 30 Cb 1.18 -0.17 -0.09 0.00 0.21 0.00 0.00 27.48 28.61 1zug h GLN 30 CO 0.64 0.51 0.61 1.96 -1.93 0.00 0.00 178.83 180.62 1zug h GLN 31 N 0.79 0.72 -0.32 1.69 7.50 -1.97 0.35 115.11 123.87 1zug h GLN 31 Ca 0.21 -0.04 -0.01 0.00 0.50 0.00 0.00 58.65 59.31 1zug h GLN 31 Cb -0.09 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.26 1zug h GLN 31 CO -0.05 0.48 0.15 0.77 -1.50 0.00 0.00 178.83 178.68 1zug h SER 32 N 0.75 0.42 0.48 1.46 0.02 -1.85 -2.53 113.55 112.29 1zug h SER 32 Ca 0.54 -0.13 -0.12 0.00 -0.84 0.00 0.00 61.79 61.24 1zug h SER 32 Cb 0.87 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.28 1zug h SER 32 CO -0.32 0.43 -0.54 0.40 -1.14 0.00 0.00 176.83 175.66 1zug h ILE 33 N 0.38 1.38 -0.83 3.27 1.08 -1.05 -3.09 117.51 118.66 1zug h ILE 33 Ca 0.11 -1.86 0.01 0.00 -0.39 0.00 0.00 64.86 62.74 1zug h ILE 33 Cb 0.13 1.97 -0.04 0.00 -3.07 0.00 0.00 36.82 35.81 1zug h ILE 33 CO -0.01 0.54 0.55 1.56 -0.69 0.00 0.00 178.15 180.09 1zug h GLN 34 N 0.06 1.06 -0.05 2.37 4.20 -0.56 -2.38 115.11 119.82 1zug h GLN 34 Ca -0.00 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.66 1zug h GLN 34 Cb 0.98 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.52 1zug h GLN 34 CO 0.07 0.70 0.05 -0.07 -0.67 0.00 0.00 178.83 178.91 1zug h LEU 35 N 1.09 0.00 0.21 1.46 3.38 -1.40 0.56 115.31 120.61 1zug h LEU 35 Ca 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1zug h LEU 35 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1zug h LEU 35 CO -0.07 0.00 -0.10 0.40 0.09 0.00 0.00 178.44 178.75 1zug h ILE 36 N 0.00 0.75 -0.56 1.22 1.08 -1.57 -0.64 117.51 117.79 1zug h ILE 36 Ca 0.02 -0.97 0.09 0.00 -0.39 0.00 0.00 64.86 63.61 1zug h ILE 36 Cb 0.11 1.22 -0.07 0.00 -3.07 0.00 0.00 36.82 35.01 1zug h ILE 36 CO -0.00 0.18 0.18 -0.08 -0.69 0.00 0.00 178.15 177.74 1zug h GLU 37 N -0.86 0.33 0.00 2.37 4.81 -0.94 0.12 114.58 120.42 1zug h GLU 37 Ca -0.03 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1zug h GLU 37 Cb 0.51 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1zug h GLU 37 CO 0.05 0.22 0.00 0.00 -0.73 0.00 0.00 179.01 178.55 1zug n ALA 38 N -2.48 1.28 -2.65 2.92 0.00 0.19 -4.67 120.51 115.09 1zug n ALA 38 Ca 0.07 -0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.38 1zug n ALA 38 Cb 0.26 -1.08 0.02 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.96 0.09 0.48 0.00 0.00 0.43 -4.96 105.19 100.28 1zug n GLY 39 Ca 0.02 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.86 1.06 -2.73 1.61 0.31 -0.30 -4.78 118.33 109.65 1zug n VAL 40 Ca -0.05 -0.09 -0.43 0.00 -0.01 0.00 0.00 64.34 63.76 1zug n VAL 40 Cb 0.56 -1.82 -0.02 0.00 -0.91 0.00 0.00 33.84 31.65 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 -2.38 4.35 0.31 2.52 2.01 -0.89 -4.81 115.64 116.75 1zug s THR 41 Ca -0.22 -1.47 0.03 0.00 0.31 0.00 0.00 61.69 60.35 1zug s THR 41 Cb 0.07 -4.98 0.29 0.00 0.01 0.00 0.00 72.50 67.89 1zug s THR 41 CO 0.28 -1.78 1.88 0.50 -0.69 0.00 0.00 174.62 174.81 1zug h LYS 42 N 8.76 0.91 -4.03 4.92 1.63 -1.89 -3.36 116.57 123.51 1zug h LYS 42 Ca 0.25 -0.06 -0.62 0.00 -0.85 0.00 0.00 60.65 59.37 1zug h LYS 42 Cb 0.97 -0.21 -0.40 0.00 -0.60 0.00 0.00 32.23 31.99 1zug h LYS 42 CO 1.31 0.61 -0.74 0.50 -3.45 0.00 0.00 179.45 177.68 1zug s ARG 43 N -5.87 1.11 0.07 1.90 6.06 -1.26 -5.01 118.95 115.94 1zug s ARG 43 Ca -0.11 -1.51 -0.30 0.00 -2.50 0.00 0.00 55.73 51.31 1zug s ARG 43 Cb 0.21 -2.58 -0.05 0.00 0.06 0.00 0.00 34.95 32.60 1zug s ARG 43 CO 0.80 -0.98 0.96 -1.25 -2.50 0.00 0.00 175.30 172.34 1zug s PRO 44 N 1.20 4.64 0.16 5.12 0.04 -1.26 -4.98 135.00 139.92 1zug s PRO 44 Ca 0.11 1.43 -0.16 0.00 0.04 0.00 0.00 61.00 62.42 1zug s PRO 44 Cb -0.19 -3.41 0.09 0.00 0.04 0.00 0.00 34.50 31.04 1zug s PRO 44 CO -0.16 0.11 1.70 0.00 0.04 0.00 0.00 177.00 178.70 1zug h ARG 45 N 6.05 0.11 -1.33 4.56 2.47 -1.99 -2.44 114.38 121.82 1zug h ARG 45 Ca -0.42 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.29 1zug h ARG 45 Cb 1.21 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 1zug h ARG 45 CO 0.73 0.07 0.00 1.97 0.56 0.00 0.00 179.97 183.30 1zug n PHE 46 N -5.17 0.00 0.00 3.04 -1.74 -1.26 -4.39 117.46 107.93 1zug n PHE 46 Ca 0.02 -0.40 -0.09 0.00 -0.56 0.00 0.00 57.45 56.41 1zug n PHE 46 Cb 0.19 -0.23 -0.03 0.00 1.52 0.00 0.00 39.48 40.93 1zug n PHE 46 CO 0.00 0.00 0.00 1.25 -0.56 0.00 0.00 176.76 177.45 1zug h LEU 47 N 1.44 -0.53 -0.40 5.98 5.85 -1.84 -0.49 115.31 125.31 1zug h LEU 47 Ca 0.00 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.89 1zug h LEU 47 Cb 0.74 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 1zug h LEU 47 CO 0.00 -0.22 0.02 0.15 -0.34 0.00 0.00 178.44 178.05 1zug h PHE 48 N -0.22 0.01 0.06 1.25 3.57 -1.87 0.28 116.94 120.02 1zug h PHE 48 Ca 0.09 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.64 1zug h PHE 48 Cb 0.35 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 1zug h PHE 48 CO -0.28 -0.06 -0.18 0.93 -2.23 0.00 0.00 178.31 176.48 1zug h GLU 49 N 0.12 -0.32 -0.13 1.11 3.07 -1.77 -0.56 114.58 116.10 1zug h GLU 49 Ca 0.20 0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.10 1zug h GLU 49 Cb 0.27 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 1zug h GLU 49 CO -0.32 -0.21 -0.01 0.82 -1.40 0.00 0.00 179.01 177.89 1zug h ILE 50 N -0.33 0.89 -0.50 3.13 2.04 -0.60 0.95 117.51 123.09 1zug h ILE 50 Ca 0.04 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1zug h ILE 50 Cb 0.37 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 1zug h ILE 50 CO -0.13 0.00 0.24 0.00 0.00 0.00 0.00 178.15 178.26 1zug h ALA 51 N 1.12 0.63 -0.11 1.87 0.00 -0.66 0.21 119.26 122.33 1zug h ALA 51 Ca 0.06 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 1zug h ALA 51 Cb 0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1zug h ALA 51 CO -0.11 -0.12 -0.73 0.52 0.00 0.00 0.00 179.25 178.80 1zug h MET 52 N 0.46 0.52 -0.69 0.00 2.86 -0.96 0.20 114.93 117.32 1zug h MET 52 Ca 0.23 -0.42 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1zug h MET 52 Cb 0.16 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 1zug h MET 52 CO -0.18 1.05 0.42 0.00 1.06 0.00 0.00 176.91 179.26 1zug h ALA 53 N 0.83 1.44 -0.72 6.32 0.00 -0.36 -1.75 119.26 125.02 1zug h ALA 53 Ca -0.03 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 1zug h ALA 53 Cb 1.32 -0.28 -0.12 0.00 0.00 0.00 0.00 17.79 18.71 1zug h ALA 53 CO 0.13 0.49 0.25 -0.11 0.00 0.00 0.00 179.25 180.01 1zug n LEU 54 N -4.40 6.02 -1.80 0.00 7.94 0.71 -4.89 117.00 120.58 1zug n LEU 54 Ca 0.07 -3.22 -0.12 0.00 -1.11 0.00 0.00 56.01 51.63 1zug n LEU 54 Cb 0.07 -0.74 -0.03 0.00 0.53 0.00 0.00 43.42 43.25 1zug n LEU 54 CO 0.37 0.81 -0.13 0.59 -1.11 0.00 0.00 177.39 177.92 1zug n ASN 55 N -0.14 -3.42 -1.11 1.96 3.02 -0.46 -4.90 115.26 110.21 1zug n ASN 55 Ca 0.40 0.26 -0.01 0.00 -0.03 0.00 0.00 54.58 55.20 1zug n ASN 55 Cb 1.37 -3.10 -0.00 0.00 -0.61 0.00 0.00 39.78 37.44 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 -1.12 7.24 0.19 0.00 2.15 -1.26 -3.68 116.67 120.19 1zug s ASP 57 Ca 0.02 1.51 -0.16 0.00 0.43 0.00 0.00 52.55 54.35 1zug s ASP 57 Cb 0.00 -2.45 0.16 0.00 -0.30 0.00 0.00 42.92 40.33 1zug s ASP 57 CO 0.01 0.19 1.65 -0.65 -0.17 0.00 0.00 175.17 176.20 1zug h PRO 58 N 4.18 -0.01 -0.15 4.34 0.11 -1.90 0.51 132.00 139.07 1zug h PRO 58 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1zug h PRO 58 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1zug h PRO 58 CO 0.65 -0.00 0.09 0.28 -0.21 0.00 0.00 178.00 178.81 1zug h VAL 59 N -0.01 1.08 -0.46 3.15 2.07 -1.95 -2.87 116.25 117.27 1zug h VAL 59 Ca 0.24 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.61 1zug h VAL 59 Cb 0.38 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1zug h VAL 59 CO -0.53 0.08 0.15 -0.25 0.02 0.00 0.00 177.57 177.04 1zug h TRP 60 N 0.16 0.25 -1.02 1.57 7.01 -0.78 0.20 115.95 123.35 1zug h TRP 60 Ca 0.05 0.02 0.25 0.00 2.11 0.00 0.00 58.89 61.33 1zug h TRP 60 Cb 0.05 -0.05 -0.10 0.00 -2.10 0.00 0.00 29.16 26.96 1zug h TRP 60 CO -0.05 0.08 0.64 1.25 -2.79 0.00 0.00 178.44 177.57 1zug h LEU 61 N 0.31 0.56 0.00 0.65 7.12 -0.74 -0.74 115.31 122.46 1zug h LEU 61 Ca 0.22 0.10 -0.08 0.00 0.13 0.00 0.00 57.88 58.25 1zug h LEU 61 Cb 0.24 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.37 1zug h LEU 61 CO -0.24 0.11 -0.88 0.00 -0.13 0.00 0.00 178.44 177.30 1zug n GLN 62 N -4.72 0.50 0.00 1.25 6.02 -0.55 -3.34 117.38 116.54 1zug n GLN 62 Ca 0.25 0.46 0.08 0.00 -0.01 0.00 0.00 57.00 57.79 1zug n GLN 62 Cb 0.80 -1.64 0.02 0.00 1.02 0.00 0.00 30.24 30.44 1zug n GLN 62 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1zug n TYR 63 N -4.53 0.00 -3.38 1.08 4.01 0.60 -3.15 117.16 111.80 1zug n TYR 63 Ca -0.16 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.38 1zug n TYR 63 Cb 0.43 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.53 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 1.08 -0.26 3.01 2.72 0.00 -0.29 -4.81 105.19 106.64 1zug n GLY 64 Ca 0.08 0.08 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 1zug n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zug s THR 65 N -3.25 -0.43 -0.68 2.61 2.01 -1.26 -4.97 115.64 109.67 1zug s THR 65 Ca 0.47 0.26 -0.26 0.00 0.31 0.00 0.00 61.69 62.47 1zug s THR 65 Cb -0.21 -0.47 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 1zug s THR 65 CO 0.58 0.10 1.80 -0.54 -0.69 0.00 0.00 174.62 175.87 1zug s LYS 66 N 2.43 2.70 -0.65 4.92 1.02 -1.26 -1.75 119.74 127.15 1zug s LYS 66 Ca 0.01 0.34 -0.18 0.00 0.02 0.00 0.00 55.97 56.16 1zug s LYS 66 Cb -0.12 -4.49 0.03 0.00 -0.52 0.00 0.00 37.83 32.73 1zug s LYS 66 CO -0.09 -2.75 0.63 -2.13 -0.92 0.00 0.00 175.35 170.10 1zug n ARG 67 N 9.16 -1.73 0.00 1.68 0.63 -1.26 -2.83 116.66 122.31 1zug n ARG 67 Ca 0.21 1.08 0.00 0.00 -0.92 0.00 0.00 57.85 58.23 1zug n ARG 67 Cb 0.51 -2.26 0.00 0.00 0.45 0.00 0.00 32.46 31.16 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 -0.98 1.76 3.41 5.14 0.00 -1.26 -4.72 105.19 108.54 1zug n GLY 68 Ca -0.21 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1zug n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1zug s LYS 69 N 0.00 3.48 -0.89 1.61 2.20 -1.15 -4.97 119.74 120.01 1zug s LYS 69 Ca 0.00 -0.60 -0.24 0.00 -0.36 0.00 0.00 55.97 54.77 1zug s LYS 69 Cb 0.00 -3.34 -0.19 0.00 -1.51 0.00 0.00 37.83 32.80 1zug s LYS 69 CO 0.00 -0.27 2.19 0.00 -0.36 0.00 0.00 175.35 176.91 1zug n ALA 70 N 4.91 0.32 0.28 3.13 0.00 -1.13 -4.77 120.51 123.25 1zug n ALA 70 Ca -0.16 -1.72 0.02 0.00 0.00 0.00 0.00 53.44 51.59 1zug n ALA 70 Cb 0.50 -3.11 0.13 0.00 0.00 0.00 0.00 19.45 16.98 1zug n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50