#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 1.82 -4.13 0.03 3.00 -1.26 -2.08 117.38 114.76 1zug n GLN 2 Ca 0.00 -0.95 -0.09 0.00 -0.01 0.00 0.00 57.00 55.95 1zug n GLN 2 Cb 0.00 -1.78 -0.10 0.00 0.00 0.00 0.00 30.24 28.36 1zug n GLN 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1zug s THR 3 N 0.31 0.46 0.24 5.09 -4.23 -1.26 -4.59 115.64 111.66 1zug s THR 3 Ca 0.50 -1.83 -0.14 0.00 -1.18 0.00 0.00 61.69 59.04 1zug s THR 3 Cb 0.25 -1.54 0.29 0.00 1.34 0.00 0.00 72.50 72.84 1zug s THR 3 CO -0.02 -0.91 1.57 -0.07 -0.54 0.00 0.00 174.62 174.65 1zug h LEU 4 N 3.14 -1.09 0.01 4.79 4.07 -1.66 -0.76 115.31 123.80 1zug h LEU 4 Ca -0.35 0.27 -0.02 0.00 0.08 0.00 0.00 57.88 57.86 1zug h LEU 4 Cb 1.16 0.62 0.00 0.00 1.08 0.00 0.00 40.66 43.52 1zug h LEU 4 CO 0.64 -0.29 -0.10 0.77 -1.08 0.00 0.00 178.44 178.38 1zug h SER 5 N -0.03 0.07 0.36 -0.43 4.64 -1.80 -2.64 113.55 113.72 1zug h SER 5 Ca 0.36 -0.84 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 1zug h SER 5 Cb 0.61 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 1zug h SER 5 CO -0.89 0.91 -0.23 -0.33 -0.87 0.00 0.00 176.83 175.42 1zug h GLU 6 N -0.75 -0.55 -0.30 4.77 5.08 -1.73 -0.59 114.58 120.53 1zug h GLU 6 Ca -0.01 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1zug h GLU 6 Cb 0.92 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1zug h GLU 6 CO 0.02 -0.36 0.15 -0.09 -1.00 0.00 0.00 179.01 177.72 1zug h ARG 7 N -0.57 0.42 0.16 2.33 9.65 -0.57 -2.46 114.38 123.35 1zug h ARG 7 Ca -0.04 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 1zug h ARG 7 Cb 0.47 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.97 1zug h ARG 7 CO 0.04 0.39 -0.08 1.25 2.80 0.00 0.00 179.97 184.37 1zug h LEU 8 N 0.35 -0.18 -1.14 3.80 5.85 -1.30 -2.93 115.31 119.76 1zug h LEU 8 Ca 0.10 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 1zug h LEU 8 Cb 0.10 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1zug h LEU 8 CO -0.01 0.19 0.20 0.07 -0.34 0.00 0.00 178.44 178.54 1zug h LYS 9 N -0.57 0.80 -0.83 1.25 2.10 -1.03 -2.55 116.57 115.73 1zug h LYS 9 Ca -0.02 -0.13 0.01 0.00 -2.00 0.00 0.00 60.65 58.51 1zug h LYS 9 Cb 0.44 -0.14 -0.04 0.00 -0.90 0.00 0.00 32.23 31.59 1zug h LYS 9 CO 0.04 0.67 0.55 0.87 -2.00 0.00 0.00 179.45 179.58 1zug h LYS 10 N 0.79 1.10 -0.39 0.07 1.79 -1.47 -2.83 116.57 115.63 1zug h LYS 10 Ca 0.18 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.56 1zug h LYS 10 Cb 0.19 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 1zug h LYS 10 CO -0.01 0.73 0.13 -0.09 -1.08 0.00 0.00 179.45 179.13 1zug h ARG 11 N 1.13 0.59 -1.00 3.15 9.65 -1.05 -2.74 114.38 124.11 1zug h ARG 11 Ca 0.30 -0.12 0.23 0.00 -1.10 0.00 0.00 59.98 59.29 1zug h ARG 11 Cb -0.12 -0.09 -0.10 0.00 -1.39 0.00 0.00 29.97 28.26 1zug h ARG 11 CO -0.07 0.59 0.63 0.00 2.80 0.00 0.00 179.97 183.92 1zug h ARG 12 N 0.48 0.54 0.38 0.20 3.08 -1.22 -0.90 114.38 116.95 1zug h ARG 12 Ca 0.13 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1zug h ARG 12 Cb 0.23 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1zug h ARG 12 CO -0.01 0.36 -0.18 0.82 -1.07 0.00 0.00 179.97 179.89 1zug h ILE 13 N 0.56 0.58 -0.88 2.04 2.04 -1.37 0.78 117.51 121.25 1zug h ILE 13 Ca 0.59 -0.49 0.12 0.00 1.00 0.00 0.00 64.86 66.07 1zug h ILE 13 Cb 1.20 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 38.02 1zug h ILE 13 CO -0.35 0.09 0.57 0.00 0.00 0.00 0.00 178.15 178.46 1zug h ALA 14 N -0.35 1.72 -0.07 1.87 0.00 -1.18 0.27 119.26 121.52 1zug h ALA 14 Ca -0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1zug h ALA 14 Cb 0.53 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1zug h ALA 14 CO 0.09 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.69 1zug n LEU 15 N -4.54 0.57 -4.16 0.00 7.99 -0.41 -4.92 117.00 111.52 1zug n LEU 15 Ca 0.16 -0.25 -0.34 0.00 -0.01 0.00 0.00 56.01 55.56 1zug n LEU 15 Cb 0.38 -0.05 -0.02 0.00 -0.11 0.00 0.00 43.42 43.62 1zug n LEU 15 CO 0.30 0.13 -0.04 0.29 -1.51 0.00 0.00 177.39 176.56 1zug n LYS 16 N -0.34 -3.44 -4.57 3.23 5.02 0.08 -4.94 118.16 113.20 1zug n LYS 16 Ca 0.11 0.40 -0.34 0.00 -2.02 0.00 0.00 58.31 56.46 1zug n LYS 16 Cb 0.13 -5.06 -0.11 0.00 -0.02 0.00 0.00 35.03 29.97 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 -6.85 2.73 0.08 1.97 1.75 0.21 -5.02 119.30 114.17 1zug s MET 17 Ca 0.63 -0.57 0.00 0.00 -1.25 0.00 0.00 55.69 54.50 1zug s MET 17 Cb -0.34 -2.59 -0.04 0.00 2.84 0.00 0.00 34.83 34.70 1zug s MET 17 CO 0.91 0.66 0.24 0.95 -0.65 0.00 0.00 175.02 177.13 1zug s THR 18 N -0.85 5.36 0.28 10.11 -4.23 -1.26 -4.45 115.64 120.59 1zug s THR 18 Ca 0.13 -0.41 -0.01 0.00 -1.18 0.00 0.00 61.69 60.23 1zug s THR 18 Cb -0.11 -3.65 0.28 0.00 1.34 0.00 0.00 72.50 70.36 1zug s THR 18 CO 0.03 0.09 1.88 1.56 -0.54 0.00 0.00 174.62 177.63 1zug h GLN 19 N 2.87 1.08 -0.83 3.99 4.20 -1.98 -1.08 115.11 123.36 1zug h GLN 19 Ca -0.46 -0.06 0.10 0.00 0.06 0.00 0.00 58.65 58.29 1zug h GLN 19 Cb 1.17 -0.24 -0.06 0.00 0.30 0.00 0.00 27.48 28.64 1zug h GLN 19 CO 0.74 0.71 0.54 0.00 -0.67 0.00 0.00 178.83 180.16 1zug h THR 20 N 1.11 0.93 -0.09 -0.54 1.03 -1.96 0.24 112.91 113.64 1zug h THR 20 Ca 0.44 -0.26 -0.01 0.00 -0.01 0.00 0.00 66.41 66.57 1zug h THR 20 Cb 0.25 0.11 -0.00 0.00 -1.07 0.00 0.00 68.15 67.44 1zug h THR 20 CO -0.19 0.14 0.02 -0.33 -0.01 0.00 0.00 175.52 175.14 1zug h GLU 21 N 0.75 0.15 -0.51 0.00 5.08 -1.65 -1.44 114.58 116.96 1zug h GLU 21 Ca 0.39 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1zug h GLU 21 Cb 0.49 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1zug h GLU 21 CO -0.16 0.35 0.27 1.25 -1.00 0.00 0.00 179.01 179.72 1zug h LEU 22 N -0.08 0.65 -0.36 1.33 5.85 -0.96 -1.88 115.31 119.87 1zug h LEU 22 Ca 0.03 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.71 1zug h LEU 22 Cb 0.27 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 1zug h LEU 22 CO 0.00 0.58 -0.11 0.00 -0.34 0.00 0.00 178.44 178.57 1zug h ALA 23 N 1.10 0.21 0.45 1.25 0.00 -0.35 0.22 119.26 122.14 1zug h ALA 23 Ca 0.18 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1zug h ALA 23 Cb 0.08 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1zug h ALA 23 CO -0.03 -0.48 -0.33 1.15 0.00 0.00 0.00 179.25 179.57 1zug h THR 24 N -0.03 0.32 -0.73 0.00 2.02 -1.05 0.65 112.91 114.09 1zug h THR 24 Ca 0.18 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 1zug h THR 24 Cb 0.30 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 1zug h THR 24 CO -0.39 0.00 0.37 0.11 0.37 0.00 0.00 175.52 175.98 1zug h LYS 25 N -0.77 1.04 0.00 6.66 1.57 -1.16 -2.18 116.57 121.74 1zug h LYS 25 Ca -0.05 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1zug h LYS 25 Cb 0.65 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1zug h LYS 25 CO 0.01 0.80 0.00 0.00 -0.57 0.00 0.00 179.45 179.70 1zug n ALA 26 N -2.37 1.83 -2.21 3.86 0.00 0.76 -4.77 120.51 117.61 1zug n ALA 26 Ca 0.06 -0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.36 1zug n ALA 26 Cb 0.12 -1.31 -0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 0.36 -0.03 3.61 0.00 0.00 -0.59 -4.67 105.19 103.87 1zug n GLY 27 Ca 0.04 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.51 0.93 -0.10 1.61 -7.23 0.12 -5.02 120.40 108.19 1zug s VAL 28 Ca 0.01 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.13 1zug s VAL 28 Cb -0.00 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 1zug s VAL 28 CO 0.01 0.00 0.09 -0.75 -0.31 0.00 0.00 175.10 174.14 1zug s LYS 29 N -3.78 3.27 0.35 4.82 2.20 -1.26 -3.91 119.74 121.42 1zug s LYS 29 Ca 0.19 -0.24 0.15 0.00 -0.36 0.00 0.00 55.97 55.70 1zug s LYS 29 Cb 0.03 -3.04 1.10 0.00 -1.51 0.00 0.00 37.83 34.41 1zug s LYS 29 CO 0.11 0.75 1.67 0.37 -0.36 0.00 0.00 175.35 177.88 1zug h GLN 30 N 4.96 0.31 -0.88 4.03 4.15 -1.91 -1.20 115.11 124.57 1zug h GLN 30 Ca -0.53 -0.02 0.22 0.00 0.77 0.00 0.00 58.65 59.09 1zug h GLN 30 Cb 1.21 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.78 1zug h GLN 30 CO 0.57 0.21 0.60 -0.56 -1.93 0.00 0.00 178.83 177.72 1zug h GLN 31 N 0.32 0.27 -0.43 1.69 -0.00 -1.96 -1.13 115.11 113.87 1zug h GLN 31 Ca 0.73 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 59.35 1zug h GLN 31 Cb 1.69 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.48 29.09 1zug h GLN 31 CO -0.59 0.18 0.22 0.77 -0.00 0.00 0.00 178.83 179.41 1zug h SER 32 N 0.27 0.55 0.87 0.06 0.02 -1.63 -2.05 113.55 111.64 1zug h SER 32 Ca 0.45 -0.11 -0.23 0.00 -0.84 0.00 0.00 61.79 61.06 1zug h SER 32 Cb 1.31 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 1zug h SER 32 CO -0.13 0.51 -1.06 0.40 -1.14 0.00 0.00 176.83 175.41 1zug h ILE 33 N 0.55 1.64 -0.93 3.27 2.04 -1.40 -3.20 117.51 119.48 1zug h ILE 33 Ca 0.15 -3.27 -0.00 0.00 1.00 0.00 0.00 64.86 62.73 1zug h ILE 33 Cb 0.09 2.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.98 1zug h ILE 33 CO -0.02 0.94 0.57 1.56 0.00 0.00 0.00 178.15 181.20 1zug h GLN 34 N 0.03 1.26 -0.98 2.37 4.20 -0.76 -1.46 115.11 119.77 1zug h GLN 34 Ca -0.05 -0.11 0.18 0.00 0.06 0.00 0.00 58.65 58.74 1zug h GLN 34 Cb 1.81 -0.27 -0.09 0.00 0.30 0.00 0.00 27.48 29.23 1zug h GLN 34 CO 0.15 0.87 0.61 -0.07 -0.67 0.00 0.00 178.83 179.72 1zug h LEU 35 N 1.28 0.72 0.34 1.46 3.38 -1.38 0.29 115.31 121.40 1zug h LEU 35 Ca 0.34 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.36 1zug h LEU 35 Cb -0.07 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1zug h LEU 35 CO -0.07 0.29 -0.16 0.40 0.09 0.00 0.00 178.44 179.00 1zug h ILE 36 N 0.72 0.62 -0.80 1.22 1.08 -1.38 -0.86 117.51 118.12 1zug h ILE 36 Ca 0.53 -0.60 0.18 0.00 -0.39 0.00 0.00 64.86 64.58 1zug h ILE 36 Cb 0.88 0.90 -0.11 0.00 -3.07 0.00 0.00 36.82 35.42 1zug h ILE 36 CO -0.30 0.11 0.26 -0.08 -0.69 0.00 0.00 178.15 177.44 1zug h GLU 37 N -0.81 0.32 0.00 2.37 4.81 -0.98 0.71 114.58 121.00 1zug h GLU 37 Ca -0.05 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1zug h GLU 37 Cb 0.52 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1zug h GLU 37 CO 0.08 0.21 0.00 0.00 -0.73 0.00 0.00 179.01 178.57 1zug n ALA 38 N -2.60 2.38 -3.45 2.92 0.00 1.00 -4.75 120.51 116.01 1zug n ALA 38 Ca 0.17 -0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.25 1zug n ALA 38 Cb 0.52 -1.39 0.07 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 0.54 -0.35 0.38 0.00 0.00 0.24 -4.94 105.19 101.06 1zug n GLY 39 Ca 0.18 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.66 1.30 -2.65 1.61 0.31 -0.34 -4.81 118.33 109.08 1zug n VAL 40 Ca -0.00 0.03 -0.43 0.00 -0.01 0.00 0.00 64.34 63.93 1zug n VAL 40 Cb 0.56 -1.99 -0.01 0.00 -0.91 0.00 0.00 33.84 31.49 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 -2.54 4.27 0.45 2.52 2.01 -1.12 -4.83 115.64 116.40 1zug s THR 41 Ca -0.23 -1.86 0.12 0.00 0.31 0.00 0.00 61.69 60.04 1zug s THR 41 Cb 0.06 -5.11 0.22 0.00 0.01 0.00 0.00 72.50 67.67 1zug s THR 41 CO 0.32 -1.93 2.04 0.11 -0.69 0.00 0.00 174.62 174.47 1zug h LYS 42 N 7.88 0.15 -3.47 4.92 1.57 -1.90 -3.32 116.57 122.40 1zug h LYS 42 Ca 0.38 -0.02 -0.63 0.00 -1.87 0.00 0.00 60.65 58.51 1zug h LYS 42 Cb 0.90 -0.03 -0.41 0.00 0.08 0.00 0.00 32.23 32.77 1zug h LYS 42 CO 1.41 0.20 -0.67 1.03 -0.57 0.00 0.00 179.45 180.84 1zug s ARG 43 N -4.96 1.70 -0.00 3.15 1.81 -1.26 -5.03 118.95 114.35 1zug s ARG 43 Ca -0.05 -2.32 -0.23 0.00 -1.72 0.00 0.00 55.73 51.40 1zug s ARG 43 Cb 0.16 -3.02 -0.05 0.00 -0.45 0.00 0.00 34.95 31.60 1zug s ARG 43 CO 0.70 -1.09 0.71 -1.25 -0.68 0.00 0.00 175.30 173.69 1zug s PRO 44 N 0.10 4.44 0.14 3.54 0.04 -1.25 -4.98 135.00 137.03 1zug s PRO 44 Ca 0.16 0.93 -0.12 0.00 0.04 0.00 0.00 61.00 62.01 1zug s PRO 44 Cb -0.24 -3.39 -0.00 0.00 0.04 0.00 0.00 34.50 30.91 1zug s PRO 44 CO -0.02 0.23 1.56 -0.09 0.04 0.00 0.00 177.00 178.72 1zug h ARG 45 N 6.02 0.86 -0.86 4.56 1.12 -1.99 -3.26 114.38 120.83 1zug h ARG 45 Ca -0.43 -0.32 0.00 0.00 -1.11 0.00 0.00 59.98 58.12 1zug h ARG 45 Cb 1.20 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 31.11 1zug h ARG 45 CO 0.72 0.96 0.00 1.97 -3.11 0.00 0.00 179.97 180.51 1zug n PHE 46 N -4.28 0.00 0.13 2.20 1.16 -1.26 -4.05 117.46 111.36 1zug n PHE 46 Ca -0.00 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.60 1zug n PHE 46 Cb 0.37 -0.09 0.37 0.00 -1.61 0.00 0.00 39.48 38.52 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 0.00 0.19 0.46 5.98 -0.00 -1.96 -1.54 115.31 118.43 1zug h LEU 47 Ca 0.00 -0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 57.81 1zug h LEU 47 Cb 0.43 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 1zug h LEU 47 CO 0.00 0.41 -0.22 0.15 -0.00 0.00 0.00 178.44 178.77 1zug h PHE 48 N 0.18 -0.57 -0.48 0.17 3.57 -1.88 -0.34 116.94 117.59 1zug h PHE 48 Ca 0.03 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1zug h PHE 48 Cb 0.47 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 1zug h PHE 48 CO 0.01 -0.30 0.30 0.93 -2.23 0.00 0.00 178.31 177.01 1zug h GLU 49 N -0.72 0.59 -0.26 1.11 4.39 -1.79 0.72 114.58 118.61 1zug h GLU 49 Ca -0.06 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1zug h GLU 49 Cb 0.52 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1zug h GLU 49 CO 0.10 0.39 0.16 0.82 -1.16 0.00 0.00 179.01 179.33 1zug h ILE 50 N 0.61 1.09 -0.62 3.13 2.04 -1.30 -0.16 117.51 122.30 1zug h ILE 50 Ca 0.18 -0.22 0.06 0.00 1.00 0.00 0.00 64.86 65.89 1zug h ILE 50 Cb -0.03 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 1zug h ILE 50 CO -0.06 0.09 0.33 0.00 0.00 0.00 0.00 178.15 178.51 1zug h ALA 51 N 1.06 0.82 0.15 1.87 0.00 -0.57 -0.45 119.26 122.15 1zug h ALA 51 Ca 0.10 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1zug h ALA 51 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1zug h ALA 51 CO -0.02 -0.02 -0.07 0.52 0.00 0.00 0.00 179.25 179.66 1zug h MET 52 N 0.60 -0.20 0.00 0.00 2.86 -0.69 0.25 114.93 117.75 1zug h MET 52 Ca 0.28 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.94 1zug h MET 52 Cb 0.20 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 1zug h MET 52 CO -0.19 -0.04 -0.01 0.00 1.06 0.00 0.00 176.91 177.73 1zug h ALA 53 N 0.52 1.74 -0.25 6.32 0.00 -0.54 -1.79 119.26 125.25 1zug h ALA 53 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1zug h ALA 53 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1zug h ALA 53 CO 0.03 0.01 0.00 -0.11 0.00 0.00 0.00 179.25 179.18 1zug n LEU 54 N -4.17 2.62 -3.69 0.00 7.94 -0.22 -4.91 117.00 114.57 1zug n LEU 54 Ca -0.03 -1.73 -0.21 0.00 -1.11 0.00 0.00 56.01 52.93 1zug n LEU 54 Cb 0.09 -0.16 0.03 0.00 0.53 0.00 0.00 43.42 43.92 1zug n LEU 54 CO 0.31 0.62 -0.06 -3.20 -1.11 0.00 0.00 177.39 173.95 1zug n ASN 55 N 0.51 -1.27 -1.02 1.96 5.15 -0.59 -4.96 115.26 115.04 1zug n ASN 55 Ca 0.10 -0.82 0.00 0.00 -0.60 0.00 0.00 54.58 53.26 1zug n ASN 55 Cb 0.38 -4.09 0.00 0.00 -0.53 0.00 0.00 39.78 35.54 1zug n ASN 55 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1zug s ASP 57 N -0.86 4.87 0.15 0.00 -1.08 -1.26 -4.28 116.67 114.21 1zug s ASP 57 Ca 0.00 0.02 -0.23 0.00 -0.52 0.00 0.00 52.55 51.82 1zug s ASP 57 Cb 0.00 -1.37 0.02 0.00 -1.46 0.00 0.00 42.92 40.11 1zug s ASP 57 CO 0.00 0.34 1.62 -0.65 0.52 0.00 0.00 175.17 177.00 1zug h PRO 58 N 5.44 -0.28 -0.78 4.34 0.11 -1.91 -1.88 132.00 137.03 1zug h PRO 58 Ca -0.47 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1zug h PRO 58 Cb 1.18 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1zug h PRO 58 CO 0.55 -0.19 0.29 0.28 -0.21 0.00 0.00 178.00 178.72 1zug h VAL 59 N -0.29 1.26 0.11 3.15 2.07 -1.94 -2.93 116.25 117.67 1zug h VAL 59 Ca 0.13 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1zug h VAL 59 Cb 0.49 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1zug h VAL 59 CO -0.39 0.35 -0.17 -0.25 0.02 0.00 0.00 177.57 177.13 1zug h TRP 60 N 1.15 -0.43 0.00 1.57 7.01 -1.41 0.53 115.95 124.37 1zug h TRP 60 Ca 0.26 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.27 1zug h TRP 60 Cb 0.25 0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.49 1zug h TRP 60 CO 0.02 -0.25 0.00 1.47 -2.79 0.00 0.00 178.44 176.89 1zug n LEU 61 N -5.29 0.06 -0.13 0.65 -0.00 -0.78 0.10 117.00 111.60 1zug n LEU 61 Ca -0.07 0.52 -0.23 0.00 -0.00 0.00 0.00 56.01 56.23 1zug n LEU 61 Cb 0.21 -0.51 -0.10 0.00 -0.00 0.00 0.00 43.42 43.02 1zug n LEU 61 CO 0.28 -0.30 -1.35 1.67 -0.00 0.00 0.00 177.39 177.70 1zug n GLN 62 N -1.56 0.58 0.00 1.47 7.27 -0.98 -3.93 117.38 120.22 1zug n GLN 62 Ca 0.03 0.20 0.00 0.00 0.07 0.00 0.00 57.00 57.30 1zug n GLN 62 Cb 0.16 -1.46 0.00 0.00 2.41 0.00 0.00 30.24 31.36 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 -3.72 0.00 -0.38 3.69 4.01 0.18 -3.14 117.16 117.80 1zug n TYR 63 Ca -0.48 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.26 1zug n TYR 63 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.94 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 1.27 0.80 3.27 2.72 0.00 0.11 -4.63 105.19 108.74 1zug n GLY 64 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1zug n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1zug s THR 65 N -2.07 4.79 0.00 2.61 -4.23 -1.26 -4.81 115.64 110.67 1zug s THR 65 Ca 0.00 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 1zug s THR 65 Cb 0.00 -4.10 0.00 0.00 1.34 0.00 0.00 72.50 69.74 1zug s THR 65 CO 0.00 -0.82 0.00 1.17 -0.54 0.00 0.00 174.62 174.43 1zug n LYS 66 N 5.11 0.00 -3.62 3.99 4.81 -1.26 -3.53 118.16 123.66 1zug n LYS 66 Ca -0.11 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 56.96 1zug n LYS 66 Cb 0.40 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.37 1zug n LYS 66 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1zug s ARG 67 N 3.72 4.12 -1.26 1.64 6.06 -1.26 -5.02 118.95 126.94 1zug s ARG 67 Ca 0.00 -0.16 -0.19 0.00 -2.50 0.00 0.00 55.73 52.87 1zug s ARG 67 Cb 0.00 -3.51 0.01 0.00 0.06 0.00 0.00 34.95 31.51 1zug s ARG 67 CO 0.00 0.10 1.82 0.41 -2.50 0.00 0.00 175.30 175.13 1zug n GLY 68 N 4.04 2.13 1.70 8.12 0.00 -1.26 -4.85 105.19 115.07 1zug n GLY 68 Ca -0.14 -1.21 -0.01 0.00 0.00 0.00 0.00 46.02 44.66 1zug n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1zug n LYS 69 N 8.27 0.80 0.00 1.61 5.02 -1.26 -4.84 118.16 127.77 1zug n LYS 69 Ca 0.48 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 1zug n LYS 69 Cb 0.46 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 1zug n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1zug n ALA 70 N 1.76 0.00 1.93 7.82 0.00 -1.26 -5.11 120.51 125.65 1zug n ALA 70 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.63 1zug n ALA 70 Cb 0.39 0.00 0.92 0.00 0.00 0.00 0.00 19.45 20.76 1zug n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50