#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 0.60 -4.08 0.03 3.00 -1.26 -2.59 117.38 113.08 1zug n GLN 2 Ca 0.00 -0.13 -0.09 0.00 -0.01 0.00 0.00 57.00 56.77 1zug n GLN 2 Cb 0.00 -1.40 -0.10 0.00 0.00 0.00 0.00 30.24 28.74 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 1.35 0.33 0.27 5.09 -4.23 -1.26 -4.34 115.64 112.84 1zug s THR 3 Ca 0.09 -1.60 -0.03 0.00 -1.18 0.00 0.00 61.69 58.97 1zug s THR 3 Cb 0.04 -1.24 0.31 0.00 1.34 0.00 0.00 72.50 72.95 1zug s THR 3 CO 0.00 -0.83 1.63 -0.07 -0.54 0.00 0.00 174.62 174.82 1zug h LEU 4 N 3.51 -0.25 0.01 4.79 4.07 -1.67 -1.41 115.31 124.36 1zug h LEU 4 Ca -0.34 0.21 -0.00 0.00 0.08 0.00 0.00 57.88 57.83 1zug h LEU 4 Cb 1.16 0.34 0.00 0.00 1.08 0.00 0.00 40.66 43.24 1zug h LEU 4 CO 0.59 -0.19 -0.00 0.77 -1.08 0.00 0.00 178.44 178.52 1zug h SER 5 N 0.13 -0.01 0.23 -0.43 4.64 -1.81 -2.09 113.55 114.21 1zug h SER 5 Ca 0.48 -0.78 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 1zug h SER 5 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1zug h SER 5 CO -0.69 0.79 -0.11 -0.33 -0.87 0.00 0.00 176.83 175.62 1zug h GLU 6 N -0.83 -0.30 -0.14 4.77 5.08 -1.76 -1.31 114.58 120.09 1zug h GLU 6 Ca -0.00 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1zug h GLU 6 Cb 0.79 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1zug h GLU 6 CO 0.00 -0.01 0.07 -0.09 -1.00 0.00 0.00 179.01 177.98 1zug h ARG 7 N -0.58 0.20 0.41 2.33 9.65 -0.99 -1.44 114.38 123.96 1zug h ARG 7 Ca -0.03 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.80 1zug h ARG 7 Cb 0.43 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.97 1zug h ARG 7 CO 0.05 0.25 -0.20 1.25 2.80 0.00 0.00 179.97 184.13 1zug h LEU 8 N 0.10 -0.47 -0.74 3.80 5.85 -1.41 -2.85 115.31 119.59 1zug h LEU 8 Ca 0.05 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.87 1zug h LEU 8 Cb 0.12 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.19 1zug h LEU 8 CO -0.01 -0.30 0.36 0.50 -0.34 0.00 0.00 178.44 178.65 1zug h LYS 9 N -0.59 0.57 -0.78 1.25 3.64 -1.19 -1.95 116.57 117.51 1zug h LYS 9 Ca -0.06 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1zug h LYS 9 Cb 0.45 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 1zug h LYS 9 CO 0.09 0.37 0.49 -0.22 -2.27 0.00 0.00 179.45 177.91 1zug h LYS 10 N 0.58 0.91 -0.26 1.90 1.63 -1.12 -2.62 116.57 117.60 1zug h LYS 10 Ca 0.38 -0.06 -0.14 0.00 -0.85 0.00 0.00 60.65 59.99 1zug h LYS 10 Cb 0.45 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 1zug h LYS 10 CO -0.31 0.61 -0.40 -0.09 -3.45 0.00 0.00 179.45 175.81 1zug h ARG 11 N 0.94 0.60 -0.42 1.90 9.65 -1.13 -2.05 114.38 123.87 1zug h ARG 11 Ca 0.32 -0.31 0.08 0.00 -1.10 0.00 0.00 59.98 58.97 1zug h ARG 11 Cb 0.04 0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 28.56 1zug h ARG 11 CO -0.12 0.90 -0.02 0.00 2.80 0.00 0.00 179.97 183.52 1zug h ARG 12 N 0.50 0.08 -0.08 0.20 3.08 -1.11 -0.53 114.38 116.51 1zug h ARG 12 Ca 0.04 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1zug h ARG 12 Cb 0.91 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 1zug h ARG 12 CO 0.08 0.05 0.05 0.82 -1.07 0.00 0.00 179.97 179.90 1zug h ILE 13 N 0.08 1.03 -0.32 2.04 2.04 -1.23 0.19 117.51 121.35 1zug h ILE 13 Ca 0.21 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 1zug h ILE 13 Cb 0.30 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1zug h ILE 13 CO -0.37 0.03 0.14 0.00 0.00 0.00 0.00 178.15 177.95 1zug h ALA 14 N 1.01 1.66 -0.64 1.87 0.00 -0.88 -1.86 119.26 120.42 1zug h ALA 14 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1zug h ALA 14 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1zug h ALA 14 CO -0.01 0.28 0.00 -0.11 0.00 0.00 0.00 179.25 179.41 1zug n LEU 15 N -4.42 4.25 -3.73 0.00 7.94 -0.25 -4.96 117.00 115.82 1zug n LEU 15 Ca 0.02 -2.14 -0.28 0.00 -1.11 0.00 0.00 56.01 52.50 1zug n LEU 15 Cb 0.12 -0.53 0.02 0.00 0.53 0.00 0.00 43.42 43.56 1zug n LEU 15 CO 0.36 0.82 0.07 0.29 -1.11 0.00 0.00 177.39 177.82 1zug n LYS 16 N 1.23 -5.02 -4.50 1.96 5.02 -0.70 -4.98 118.16 111.18 1zug n LYS 16 Ca 0.24 0.60 -0.33 0.00 -2.02 0.00 0.00 58.31 56.80 1zug n LYS 16 Cb 0.76 -5.45 -0.10 0.00 -0.02 0.00 0.00 35.03 30.21 1zug n LYS 16 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1zug s MET 17 N -6.43 2.67 0.34 1.97 -1.94 0.61 -5.01 119.30 111.51 1zug s MET 17 Ca 0.59 -0.63 0.07 0.00 -1.71 0.00 0.00 55.69 54.01 1zug s MET 17 Cb -0.29 -2.57 -0.03 0.00 2.01 0.00 0.00 34.83 33.95 1zug s MET 17 CO 0.72 0.63 0.30 0.95 -0.01 0.00 0.00 175.02 177.61 1zug s THR 18 N -0.93 3.44 0.21 2.05 -4.23 -1.26 -4.10 115.64 110.82 1zug s THR 18 Ca 0.15 -1.37 -0.08 0.00 -1.18 0.00 0.00 61.69 59.21 1zug s THR 18 Cb -0.11 -3.16 0.16 0.00 1.34 0.00 0.00 72.50 70.72 1zug s THR 18 CO 0.05 -0.16 1.80 1.56 -0.54 0.00 0.00 174.62 177.33 1zug h GLN 19 N 1.23 1.15 -0.62 3.99 4.20 -1.98 -0.74 115.11 122.34 1zug h GLN 19 Ca -0.44 -0.18 0.05 0.00 0.06 0.00 0.00 58.65 58.14 1zug h GLN 19 Cb 1.25 -0.20 -0.05 0.00 0.30 0.00 0.00 27.48 28.78 1zug h GLN 19 CO 0.58 0.90 0.34 1.79 -0.67 0.00 0.00 178.83 181.77 1zug h THR 20 N 1.13 0.97 -0.09 -0.54 1.35 -1.97 0.36 112.91 114.12 1zug h THR 20 Ca 0.27 -0.22 0.02 0.00 -0.55 0.00 0.00 66.41 65.94 1zug h THR 20 Cb 0.14 0.28 -0.03 0.00 -1.73 0.00 0.00 68.15 66.81 1zug h THR 20 CO -0.03 0.12 -0.06 -0.33 -0.25 0.00 0.00 175.52 174.97 1zug h GLU 21 N 0.64 -0.06 -0.17 4.72 3.07 -1.89 -1.26 114.58 119.62 1zug h GLU 21 Ca 0.27 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.13 1zug h GLU 21 Cb 0.15 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 1zug h GLU 21 CO -0.17 -0.04 0.08 1.25 -1.40 0.00 0.00 179.01 178.74 1zug h LEU 22 N -0.06 0.23 -0.53 1.33 5.85 -0.76 -2.43 115.31 118.94 1zug h LEU 22 Ca 0.06 -0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.74 1zug h LEU 22 Cb 0.14 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 1zug h LEU 22 CO -0.13 0.29 0.16 0.00 -0.34 0.00 0.00 178.44 178.42 1zug h ALA 23 N 0.95 0.64 0.08 1.25 0.00 -0.07 0.13 119.26 122.23 1zug h ALA 23 Ca 0.06 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1zug h ALA 23 Cb 0.12 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1zug h ALA 23 CO -0.01 -0.25 -0.10 1.15 0.00 0.00 0.00 179.25 180.05 1zug h THR 24 N 0.32 0.78 -0.31 0.00 2.02 -1.06 -0.51 112.91 114.14 1zug h THR 24 Ca 0.26 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.40 1zug h THR 24 Cb 0.33 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1zug h THR 24 CO -0.30 0.00 0.01 0.11 0.37 0.00 0.00 175.52 175.71 1zug h LYS 25 N -0.20 0.54 0.00 6.66 1.57 -0.84 -1.78 116.57 122.52 1zug h LYS 25 Ca 0.01 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1zug h LYS 25 Cb 0.21 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1zug h LYS 25 CO -0.04 0.68 0.00 0.00 -0.57 0.00 0.00 179.45 179.51 1zug h ALA 26 N 0.85 1.00 -2.34 3.86 0.00 -0.68 -3.44 119.26 118.51 1zug h ALA 26 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 1zug h ALA 26 Cb 0.43 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.24 1zug h ALA 26 CO 0.01 0.00 -0.29 0.41 0.00 0.00 0.00 179.25 179.38 1zug n GLY 27 N -0.22 0.08 3.29 0.00 0.00 -0.33 -4.71 105.19 103.31 1zug n GLY 27 Ca 0.01 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.81 0.44 0.60 1.61 -7.23 -0.46 -5.04 120.40 107.51 1zug s VAL 28 Ca 0.13 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.15 1zug s VAL 28 Cb -0.06 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 1zug s VAL 28 CO 0.17 -0.00 1.06 -0.54 -0.31 0.00 0.00 175.10 175.47 1zug s LYS 29 N -4.06 3.27 0.11 4.82 1.02 -1.26 -4.05 119.74 119.59 1zug s LYS 29 Ca 0.38 1.18 -0.16 0.00 0.02 0.00 0.00 55.97 57.39 1zug s LYS 29 Cb 0.08 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.32 1zug s LYS 29 CO 0.13 -0.85 1.57 0.37 -0.92 0.00 0.00 175.35 175.65 1zug h GLN 30 N 0.31 0.60 -0.32 1.68 -0.00 -1.91 -2.47 115.11 113.00 1zug h GLN 30 Ca -0.47 -0.18 0.01 0.00 -0.00 0.00 0.00 58.65 58.01 1zug h GLN 30 Cb 1.22 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 28.62 1zug h GLN 30 CO 0.57 0.70 0.21 -0.56 0.00 0.00 0.00 178.83 179.75 1zug h GLN 31 N 0.42 0.40 -0.29 1.69 -0.00 -1.96 -1.43 115.11 113.94 1zug h GLN 31 Ca 0.10 -0.02 0.01 0.00 -0.00 0.00 0.00 58.65 58.74 1zug h GLN 31 Cb 0.41 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.48 27.78 1zug h GLN 31 CO 0.01 0.27 0.16 0.77 -0.00 0.00 0.00 178.83 180.04 1zug h SER 32 N 0.42 0.26 -0.22 0.06 0.02 -1.83 -2.40 113.55 109.85 1zug h SER 32 Ca 0.12 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.96 1zug h SER 32 Cb -0.03 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1zug h SER 32 CO -0.03 0.19 -0.23 0.40 -1.14 0.00 0.00 176.83 176.03 1zug h ILE 33 N 0.34 1.27 -0.95 3.27 1.08 -1.20 -2.79 117.51 118.53 1zug h ILE 33 Ca 0.12 -1.31 0.15 0.00 -0.39 0.00 0.00 64.86 63.43 1zug h ILE 33 Cb 0.01 1.25 -0.10 0.00 -3.07 0.00 0.00 36.82 34.91 1zug h ILE 33 CO -0.06 0.43 0.55 1.56 -0.69 0.00 0.00 178.15 179.94 1zug h GLN 34 N 0.60 0.76 -0.05 2.37 1.08 -0.81 -0.95 115.11 118.11 1zug h GLN 34 Ca 0.09 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1zug h GLN 34 Cb 0.71 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1zug h GLN 34 CO 0.05 0.50 0.07 -0.07 -0.95 0.00 0.00 178.83 178.44 1zug h LEU 35 N 0.78 0.00 0.00 1.46 4.07 -1.16 0.56 115.31 121.02 1zug h LEU 35 Ca 0.51 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.43 1zug h LEU 35 Cb 0.69 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 1zug h LEU 35 CO -0.34 0.00 -0.22 0.40 -1.08 0.00 0.00 178.44 177.20 1zug h ILE 36 N 0.00 1.53 -0.68 1.22 1.08 -1.29 0.78 117.51 120.15 1zug h ILE 36 Ca 0.02 -2.23 0.10 0.00 -0.39 0.00 0.00 64.86 62.36 1zug h ILE 36 Cb 0.17 2.98 -0.04 0.00 -3.07 0.00 0.00 36.82 36.85 1zug h ILE 36 CO -0.00 0.52 0.45 -0.08 -0.69 0.00 0.00 178.15 178.35 1zug h GLU 37 N -1.00 0.53 -0.00 2.37 4.81 -0.79 0.31 114.58 120.81 1zug h GLU 37 Ca -0.06 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1zug h GLU 37 Cb 0.99 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.25 1zug h GLU 37 CO -0.04 0.35 -0.05 0.00 -0.73 0.00 0.00 179.01 178.54 1zug n ALA 38 N -2.49 2.63 -3.68 2.92 0.00 0.19 -4.73 120.51 115.35 1zug n ALA 38 Ca 0.11 -0.20 -0.25 0.00 0.00 0.00 0.00 53.44 53.10 1zug n ALA 38 Cb 0.35 -1.42 0.06 0.00 0.00 0.00 0.00 19.45 18.45 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 1.26 -0.52 0.35 0.00 0.00 0.09 -4.92 105.19 101.45 1zug n GLY 39 Ca 0.15 0.23 -0.17 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.86 0.95 -2.74 1.61 0.31 0.22 -4.72 118.33 109.11 1zug n VAL 40 Ca -0.01 -0.28 -0.43 0.00 -0.01 0.00 0.00 64.34 63.61 1zug n VAL 40 Cb 0.56 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 1zug n VAL 40 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1zug n THR 41 N -3.55 4.17 -0.26 2.52 -1.04 -0.90 -4.82 114.28 110.40 1zug n THR 41 Ca -0.33 -4.48 0.06 0.00 -2.04 0.00 0.00 64.05 57.26 1zug n THR 41 Cb 0.76 -2.43 0.19 0.00 -1.82 0.00 0.00 70.33 67.03 1zug n THR 41 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1zug h LYS 42 N 6.99 0.38 -4.49 -2.82 1.57 -1.87 -3.30 116.57 113.02 1zug h LYS 42 Ca 0.37 -0.02 -0.68 0.00 -1.87 0.00 0.00 60.65 58.45 1zug h LYS 42 Cb 0.83 -0.09 -0.37 0.00 0.08 0.00 0.00 32.23 32.68 1zug h LYS 42 CO 1.37 0.25 -0.63 1.03 -0.57 0.00 0.00 179.45 180.91 1zug s ARG 43 N -6.02 1.78 -0.31 3.15 0.52 -1.26 -5.01 118.95 111.79 1zug s ARG 43 Ca -0.12 -1.92 -0.29 0.00 -0.52 0.00 0.00 55.73 52.88 1zug s ARG 43 Cb 0.21 -3.40 0.01 0.00 0.52 0.00 0.00 34.95 32.29 1zug s ARG 43 CO 0.76 -1.02 1.21 -1.25 0.02 0.00 0.00 175.30 175.02 1zug s PRO 44 N 0.91 3.97 0.45 3.54 0.04 -1.24 -4.93 135.00 137.74 1zug s PRO 44 Ca 0.10 1.16 0.17 0.00 0.04 0.00 0.00 61.00 62.48 1zug s PRO 44 Cb -0.21 -3.82 1.11 0.00 0.04 0.00 0.00 34.50 31.61 1zug s PRO 44 CO -0.06 -1.04 1.95 0.00 0.04 0.00 0.00 177.00 177.90 1zug h ARG 45 N 8.81 0.33 -0.94 4.56 2.47 -1.98 -2.43 114.38 125.19 1zug h ARG 45 Ca -0.24 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 1zug h ARG 45 Cb 1.08 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.33 1zug h ARG 45 CO 1.04 0.22 0.00 1.97 0.56 0.00 0.00 179.97 183.75 1zug n PHE 46 N -4.46 0.27 -0.04 3.04 -1.74 -1.26 -4.27 117.46 109.00 1zug n PHE 46 Ca 0.12 -0.09 0.06 0.00 -0.56 0.00 0.00 57.45 56.98 1zug n PHE 46 Cb 0.49 -0.15 0.43 0.00 1.52 0.00 0.00 39.48 41.77 1zug n PHE 46 CO 0.00 0.00 0.00 1.37 -0.56 0.00 0.00 176.76 177.57 1zug h LEU 47 N 0.52 0.47 -0.35 5.98 -0.00 -1.84 -1.91 115.31 118.17 1zug h LEU 47 Ca 0.00 -0.01 -0.05 0.00 -0.00 0.00 0.00 57.88 57.82 1zug h LEU 47 Cb 0.69 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.23 1zug h LEU 47 CO 0.06 0.32 0.02 0.15 -0.00 0.00 0.00 178.44 179.00 1zug h PHE 48 N 0.54 0.65 0.35 0.17 3.57 -1.87 -0.10 116.94 120.26 1zug h PHE 48 Ca 0.20 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1zug h PHE 48 Cb 0.11 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1zug h PHE 48 CO -0.00 0.69 -0.24 0.93 -2.23 0.00 0.00 178.31 177.46 1zug h GLU 49 N 0.42 -0.55 -0.64 1.11 3.07 -1.73 -0.77 114.58 115.48 1zug h GLU 49 Ca 0.10 0.04 0.03 0.00 -0.50 0.00 0.00 59.36 59.02 1zug h GLU 49 Cb 0.41 0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.41 1zug h GLU 49 CO 0.01 -0.37 0.40 0.82 -1.40 0.00 0.00 179.01 178.48 1zug h ILE 50 N -0.57 1.09 -0.08 3.13 2.04 -1.23 0.96 117.51 122.85 1zug h ILE 50 Ca -0.03 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.59 1zug h ILE 50 Cb 0.48 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1zug h ILE 50 CO 0.02 0.14 -0.12 0.00 0.00 0.00 0.00 178.15 178.19 1zug h ALA 51 N 1.27 -0.07 -0.47 1.87 0.00 -0.84 0.20 119.26 121.21 1zug h ALA 51 Ca 0.25 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 1zug h ALA 51 Cb 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1zug h ALA 51 CO -0.10 -0.59 0.05 0.52 0.00 0.00 0.00 179.25 179.14 1zug h MET 52 N -0.17 0.80 -0.94 0.00 2.86 -0.69 0.25 114.93 117.04 1zug h MET 52 Ca 0.07 -0.23 0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1zug h MET 52 Cb 0.27 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.79 1zug h MET 52 CO -0.18 0.82 0.62 0.00 1.06 0.00 0.00 176.91 179.23 1zug h ALA 53 N 0.95 1.41 -0.50 6.32 0.00 -0.55 -1.99 119.26 124.90 1zug h ALA 53 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1zug h ALA 53 Cb 0.43 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1zug h ALA 53 CO 0.01 0.49 0.00 -0.11 0.00 0.00 0.00 179.25 179.65 1zug n LEU 54 N -4.45 4.97 -4.04 0.00 7.94 0.66 -4.94 117.00 117.15 1zug n LEU 54 Ca 0.13 -2.83 -0.33 0.00 -1.11 0.00 0.00 56.01 51.86 1zug n LEU 54 Cb 0.11 -0.61 -0.02 0.00 0.53 0.00 0.00 43.42 43.43 1zug n LEU 54 CO 0.34 0.68 -0.02 0.59 -1.11 0.00 0.00 177.39 177.87 1zug n ASN 55 N 0.41 -3.39 -0.68 1.96 5.03 -0.33 -4.91 115.26 113.34 1zug n ASN 55 Ca 0.25 -0.87 0.00 0.00 0.87 0.00 0.00 54.58 54.83 1zug n ASN 55 Cb 1.03 -2.78 0.00 0.00 -1.02 0.00 0.00 39.78 37.01 1zug n ASN 55 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1zug s ASP 57 N -0.28 6.42 0.08 0.00 2.15 -1.26 -1.30 116.67 122.48 1zug s ASP 57 Ca 0.00 0.49 -0.24 0.00 0.43 0.00 0.00 52.55 53.24 1zug s ASP 57 Cb 0.00 -2.11 -0.16 0.00 -0.30 0.00 0.00 42.92 40.35 1zug s ASP 57 CO 0.00 0.33 1.69 -0.65 -0.17 0.00 0.00 175.17 176.37 1zug h PRO 58 N 5.42 -0.07 -0.81 4.34 0.11 -1.91 -2.65 132.00 136.43 1zug h PRO 58 Ca -0.51 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.65 1zug h PRO 58 Cb 1.21 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 1zug h PRO 58 CO 0.63 -0.01 0.50 0.28 -0.21 0.00 0.00 178.00 179.20 1zug h VAL 59 N -0.11 1.08 0.04 3.15 2.07 -1.90 -2.78 116.25 117.79 1zug h VAL 59 Ca -0.01 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1zug h VAL 59 Cb 0.09 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1zug h VAL 59 CO 0.01 0.17 -0.02 -0.25 0.02 0.00 0.00 177.57 177.51 1zug h TRP 60 N 0.95 -0.04 0.00 1.57 7.01 -1.26 0.33 115.95 124.51 1zug h TRP 60 Ca 0.34 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.34 1zug h TRP 60 Cb 0.09 0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.16 1zug h TRP 60 CO -0.03 -0.00 0.00 1.47 -2.79 0.00 0.00 178.44 177.08 1zug n LEU 61 N -5.10 0.14 -0.08 0.65 -0.00 -1.01 -0.46 117.00 111.14 1zug n LEU 61 Ca -0.07 0.55 -0.17 0.00 -0.00 0.00 0.00 56.01 56.32 1zug n LEU 61 Cb 0.06 -0.55 -0.06 0.00 -0.00 0.00 0.00 43.42 42.88 1zug n LEU 61 CO 0.33 -0.47 -1.03 1.67 -0.00 0.00 0.00 177.39 177.90 1zug n GLN 62 N -1.67 0.34 0.00 1.47 7.27 -1.02 -4.05 117.38 119.72 1zug n GLN 62 Ca 0.01 0.15 0.03 0.00 0.07 0.00 0.00 57.00 57.26 1zug n GLN 62 Cb 0.09 -1.07 0.01 0.00 2.41 0.00 0.00 30.24 31.69 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 -3.73 0.00 -0.88 3.69 4.01 0.11 -2.87 117.16 117.50 1zug n TYR 63 Ca -0.31 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.43 1zug n TYR 63 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.74 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 0.50 0.64 3.29 2.72 0.00 0.40 -4.62 105.19 108.10 1zug n GLY 64 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.36 3.26 -1.31 2.61 -4.23 -1.26 -4.85 115.64 107.50 1zug s THR 65 Ca 0.00 -0.60 -0.15 0.00 -1.18 0.00 0.00 61.69 59.76 1zug s THR 65 Cb 0.00 -2.51 0.10 0.00 1.34 0.00 0.00 72.50 71.43 1zug s THR 65 CO 0.00 0.38 1.80 1.17 -0.54 0.00 0.00 174.62 177.43 1zug n LYS 66 N 4.77 3.23 -2.74 3.99 4.81 -1.26 -1.88 118.16 129.09 1zug n LYS 66 Ca -0.18 -3.30 -0.43 0.00 -0.87 0.00 0.00 58.31 53.52 1zug n LYS 66 Cb 0.50 -3.24 0.00 0.00 0.02 0.00 0.00 35.03 32.31 1zug n LYS 66 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1zug n ARG 67 N 6.45 3.73 0.00 1.64 3.00 -1.26 -4.94 116.66 125.28 1zug n ARG 67 Ca 0.45 -3.92 0.00 0.00 -0.01 0.00 0.00 57.85 54.37 1zug n ARG 67 Cb 0.42 -2.83 0.00 0.00 0.00 0.00 0.00 32.46 30.05 1zug n ARG 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1zug n GLY 68 N 2.80 -1.81 3.29 -0.13 0.00 -1.26 -4.88 105.19 103.19 1zug n GLY 68 Ca 0.34 -1.74 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 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 0.60 -0.33 1.61 1.02 -1.26 -4.47 119.74 116.92 1zug s LYS 69 Ca 0.00 0.21 0.03 0.00 0.02 0.00 0.00 55.97 56.23 1zug s LYS 69 Cb 0.00 0.28 0.10 0.00 -0.52 0.00 0.00 37.83 37.68 1zug s LYS 69 CO 0.00 -0.13 0.05 0.00 -0.92 0.00 0.00 175.35 174.34 1zug s ALA 70 N -0.57 2.60 -2.00 5.17 0.00 -0.42 -4.90 121.76 121.64 1zug s ALA 70 Ca -0.07 -2.30 0.18 0.00 0.00 0.00 0.00 51.96 49.78 1zug s ALA 70 Cb -0.04 -1.87 1.09 0.00 0.00 0.00 0.00 23.12 22.30 1zug s ALA 70 CO 0.03 -1.64 1.48 0.00 0.00 0.00 0.00 175.76 175.63