#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 0.00 -3.54 3.17 -0.06 -1.26 -4.57 117.38 111.11 1zug n GLN 2 Ca 0.00 0.00 -0.30 0.00 -2.00 0.00 0.00 57.00 54.70 1zug n GLN 2 Cb 0.00 -0.20 -0.04 0.00 -4.06 0.00 0.00 30.24 25.94 1zug n GLN 2 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 1zug s THR 3 N 0.00 5.10 0.27 1.69 -1.32 -1.26 -2.68 115.64 117.44 1zug s THR 3 Ca 0.00 0.01 -0.01 0.00 -1.21 0.00 0.00 61.69 60.48 1zug s THR 3 Cb 0.00 -3.68 0.27 0.00 -1.51 0.00 0.00 72.50 67.58 1zug s THR 3 CO 0.00 -0.13 1.68 0.17 -2.21 0.00 0.00 174.62 174.13 1zug h LEU 4 N 2.25 0.11 0.43 9.08 -0.00 -1.74 0.01 115.31 125.44 1zug h LEU 4 Ca -0.47 0.16 -0.02 0.00 -0.00 0.00 0.00 57.88 57.55 1zug h LEU 4 Cb 1.18 0.19 0.00 0.00 -0.00 0.00 0.00 40.66 42.04 1zug h LEU 4 CO 0.69 -0.05 -0.21 0.77 -0.00 0.00 0.00 178.44 179.64 1zug h SER 5 N 0.30 -0.49 0.39 0.17 4.64 -1.81 -1.65 113.55 115.10 1zug h SER 5 Ca 0.49 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.70 1zug h SER 5 Cb 0.90 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1zug h SER 5 CO -0.55 -0.18 -0.19 -0.33 -0.87 0.00 0.00 176.83 174.71 1zug h GLU 6 N -0.81 -0.51 0.12 4.77 3.07 -1.75 0.13 114.58 119.60 1zug h GLU 6 Ca -0.06 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.85 1zug h GLU 6 Cb 0.55 0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.54 1zug h GLU 6 CO 0.10 -0.34 -0.27 0.00 -1.40 0.00 0.00 179.01 177.10 1zug h ARG 7 N -0.53 -0.46 -0.00 2.33 2.47 -0.91 -1.38 114.38 115.90 1zug h ARG 7 Ca -0.05 0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1zug h ARG 7 Cb 0.41 0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1zug h ARG 7 CO 0.08 -0.31 -0.00 1.25 0.56 0.00 0.00 179.97 181.55 1zug h LEU 8 N -0.48 0.00 -0.02 3.04 5.85 -1.19 -3.14 115.31 119.38 1zug h LEU 8 Ca 0.03 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.43 1zug h LEU 8 Cb 0.51 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 1zug h LEU 8 CO -0.15 0.35 -0.39 0.50 -0.34 0.00 0.00 178.44 178.41 1zug h LYS 9 N -0.35 -0.52 -0.15 1.25 3.64 -0.51 -2.23 116.57 117.71 1zug h LYS 9 Ca 0.00 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1zug h LYS 9 Cb 0.35 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1zug h LYS 9 CO 0.00 -0.34 -0.05 0.87 -2.27 0.00 0.00 179.45 177.65 1zug h LYS 10 N -0.54 0.22 -0.22 1.90 1.79 -1.36 -2.71 116.57 115.65 1zug h LYS 10 Ca 0.06 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.41 1zug h LYS 10 Cb 0.62 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1zug h LYS 10 CO -0.31 0.29 -0.17 -0.09 -1.08 0.00 0.00 179.45 178.08 1zug h ARG 11 N 0.21 0.51 -0.90 3.15 9.65 -1.43 -2.16 114.38 123.41 1zug h ARG 11 Ca 0.05 -0.25 0.21 0.00 -1.10 0.00 0.00 59.98 58.89 1zug h ARG 11 Cb 0.24 0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 28.70 1zug h ARG 11 CO 0.01 0.82 0.42 -0.09 2.80 0.00 0.00 179.97 183.93 1zug h ARG 12 N 0.20 0.45 0.16 0.20 2.43 -1.09 -0.31 114.38 116.42 1zug h ARG 12 Ca 0.04 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1zug h ARG 12 Cb 0.70 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1zug h ARG 12 CO 0.05 0.30 -0.08 0.82 -1.51 0.00 0.00 179.97 179.54 1zug h ILE 13 N 0.46 0.96 -0.18 1.20 2.04 -1.38 -0.26 117.51 120.35 1zug h ILE 13 Ca 0.55 -0.57 0.05 0.00 1.00 0.00 0.00 64.86 65.90 1zug h ILE 13 Cb 1.01 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 1zug h ILE 13 CO -0.49 0.13 0.14 0.00 0.00 0.00 0.00 178.15 177.93 1zug h ALA 14 N 0.29 2.08 -0.51 1.87 0.00 -0.53 -0.72 119.26 121.73 1zug h ALA 14 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1zug h ALA 14 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1zug h ALA 14 CO 0.04 -0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.33 1zug n LEU 15 N -4.33 3.41 -3.34 0.00 4.77 -0.26 -4.95 117.00 112.30 1zug n LEU 15 Ca 0.01 -1.72 -0.23 0.00 -0.03 0.00 0.00 56.01 54.04 1zug n LEU 15 Cb 0.27 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1zug n LEU 15 CO 0.33 0.67 -0.03 0.29 -1.33 0.00 0.00 177.39 177.33 1zug n LYS 16 N 0.92 -3.59 -4.18 3.23 4.76 -0.28 -4.98 118.16 114.04 1zug n LYS 16 Ca 0.19 0.52 -0.34 0.00 -2.87 0.00 0.00 58.31 55.81 1zug n LYS 16 Cb 0.61 -5.25 -0.08 0.00 -1.84 0.00 0.00 35.03 28.47 1zug n LYS 16 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1zug s MET 17 N -5.99 3.08 0.22 1.97 -1.94 -0.15 -5.01 119.30 111.47 1zug s MET 17 Ca 0.40 -0.40 -0.04 0.00 -1.71 0.00 0.00 55.69 53.94 1zug s MET 17 Cb -0.21 -2.88 -0.05 0.00 2.01 0.00 0.00 34.83 33.71 1zug s MET 17 CO 0.49 0.69 0.45 0.95 -0.01 0.00 0.00 175.02 177.59 1zug s THR 18 N -1.04 5.12 0.18 2.05 -4.23 -1.26 -4.30 115.64 112.16 1zug s THR 18 Ca 0.17 -0.08 -0.13 0.00 -1.18 0.00 0.00 61.69 60.47 1zug s THR 18 Cb -0.12 -3.70 0.08 0.00 1.34 0.00 0.00 72.50 70.10 1zug s THR 18 CO 0.07 -0.17 1.82 -0.61 -0.54 0.00 0.00 174.62 175.20 1zug h GLN 19 N 2.12 0.78 -0.99 3.99 4.15 -1.99 -1.40 115.11 121.77 1zug h GLN 19 Ca -0.47 -0.06 0.21 0.00 0.77 0.00 0.00 58.65 59.09 1zug h GLN 19 Cb 1.18 -0.17 -0.10 0.00 0.21 0.00 0.00 27.48 28.61 1zug h GLN 19 CO 0.68 0.55 0.62 0.00 -1.93 0.00 0.00 178.83 178.75 1zug h THR 20 N 0.78 0.66 0.20 2.39 1.03 -1.96 0.14 112.91 116.15 1zug h THR 20 Ca 0.21 -0.22 -0.01 0.00 -0.01 0.00 0.00 66.41 66.38 1zug h THR 20 Cb -0.04 -0.02 0.00 0.00 -1.07 0.00 0.00 68.15 67.02 1zug h THR 20 CO -0.04 0.11 -0.09 -0.08 -0.01 0.00 0.00 175.52 175.41 1zug h GLU 21 N 0.63 -0.25 -0.88 0.00 4.81 -1.79 -1.97 114.58 115.12 1zug h GLU 21 Ca 0.57 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.85 1zug h GLU 21 Cb 1.07 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 1zug h GLU 21 CO -0.34 -0.05 0.57 1.25 -0.73 0.00 0.00 179.01 179.71 1zug h LEU 22 N -0.41 0.94 0.06 1.64 5.85 -0.81 -0.66 115.31 121.92 1zug h LEU 22 Ca -0.03 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.72 1zug h LEU 22 Cb 0.32 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1zug h LEU 22 CO 0.04 0.64 -0.39 0.00 -0.34 0.00 0.00 178.44 178.40 1zug h ALA 23 N 1.37 -0.64 -0.12 1.25 0.00 -0.58 0.17 119.26 120.71 1zug h ALA 23 Ca 0.36 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.26 1zug h ALA 23 Cb 0.03 0.66 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1zug h ALA 23 CO -0.12 -0.93 -0.25 1.15 0.00 0.00 0.00 179.25 179.10 1zug h THR 24 N -0.58 0.41 -0.30 0.00 2.02 -0.58 -0.70 112.91 113.18 1zug h THR 24 Ca 0.04 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.25 1zug h THR 24 Cb 0.64 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1zug h THR 24 CO -0.26 0.00 0.09 0.11 0.37 0.00 0.00 175.52 175.83 1zug h LYS 25 N -0.32 0.21 0.00 6.66 6.56 -0.97 -2.89 116.57 125.82 1zug h LYS 25 Ca 0.10 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 1zug h LYS 25 Cb 0.47 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 1zug h LYS 25 CO -0.30 0.14 0.00 0.00 -2.06 0.00 0.00 179.45 177.23 1zug n ALA 26 N -2.32 2.19 -2.00 3.86 0.00 0.58 -4.83 120.51 117.99 1zug n ALA 26 Ca -0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 1zug n ALA 26 Cb 0.11 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.15 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 0.98 0.19 3.08 0.00 0.00 -0.52 -4.69 105.19 104.24 1zug n GLY 27 Ca 0.08 -0.59 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.83 0.00 -3.76 1.61 0.24 -0.39 -5.02 118.33 107.19 1zug n VAL 28 Ca -0.09 -2.13 -0.26 0.00 -2.04 0.00 0.00 64.34 59.82 1zug n VAL 28 Cb 0.52 0.65 -0.03 0.00 -1.47 0.00 0.00 33.84 33.51 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 -3.47 3.49 0.22 7.34 3.01 -1.26 -3.85 119.74 125.22 1zug s LYS 29 Ca 0.12 -0.45 -0.08 0.00 -1.01 0.00 0.00 55.97 54.55 1zug s LYS 29 Cb 0.01 -2.86 0.30 0.00 -1.01 0.00 0.00 37.83 34.26 1zug s LYS 29 CO 0.09 0.41 1.80 0.37 0.51 0.00 0.00 175.35 178.53 1zug h GLN 30 N 1.82 0.66 -0.85 1.68 4.15 -1.90 -2.65 115.11 118.02 1zug h GLN 30 Ca -0.49 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 58.94 1zug h GLN 30 Cb 1.20 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 28.69 1zug h GLN 30 CO 0.67 0.44 0.56 1.96 -1.93 0.00 0.00 178.83 180.52 1zug h GLN 31 N 0.68 0.99 -0.96 1.69 7.50 -1.96 0.11 115.11 123.16 1zug h GLN 31 Ca 0.33 -0.06 0.07 0.00 0.50 0.00 0.00 58.65 59.50 1zug h GLN 31 Cb 0.27 -0.22 -0.07 0.00 0.05 0.00 0.00 27.48 27.51 1zug h GLN 31 CO -0.22 0.65 0.62 0.77 -1.50 0.00 0.00 178.83 179.15 1zug h SER 32 N 1.02 0.96 0.28 1.46 0.02 -1.89 -2.33 113.55 113.06 1zug h SER 32 Ca 0.35 0.01 -0.34 0.00 -0.84 0.00 0.00 61.79 60.97 1zug h SER 32 Cb 0.09 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.45 1zug h SER 32 CO -0.11 0.60 -1.65 0.40 -1.14 0.00 0.00 176.83 174.93 1zug h ILE 33 N 1.08 1.05 -0.92 3.27 2.04 -1.14 -3.31 117.51 119.58 1zug h ILE 33 Ca 0.42 -2.62 0.24 0.00 1.00 0.00 0.00 64.86 63.90 1zug h ILE 33 Cb 0.24 2.81 -0.06 0.00 -0.74 0.00 0.00 36.82 39.07 1zug h ILE 33 CO -0.17 0.84 0.63 1.56 0.00 0.00 0.00 178.15 181.00 1zug h GLN 34 N 0.10 0.24 -0.82 2.37 4.20 -0.52 -0.85 115.11 119.83 1zug h GLN 34 Ca -0.30 -0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.54 1zug h GLN 34 Cb 2.09 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 29.76 1zug h GLN 34 CO 0.19 0.16 0.54 -0.07 -0.67 0.00 0.00 178.83 178.98 1zug h LEU 35 N 0.24 0.50 0.34 1.46 3.38 -1.52 0.49 115.31 120.21 1zug h LEU 35 Ca 0.47 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.46 1zug h LEU 35 Cb 1.44 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1zug h LEU 35 CO -0.13 0.25 -0.16 0.40 0.09 0.00 0.00 178.44 178.89 1zug h ILE 36 N 0.53 0.23 -0.76 1.22 2.04 -1.36 -1.94 117.51 117.46 1zug h ILE 36 Ca 0.41 -0.73 0.16 0.00 1.00 0.00 0.00 64.86 65.70 1zug h ILE 36 Cb 0.82 0.37 -0.11 0.00 -0.74 0.00 0.00 36.82 37.17 1zug h ILE 36 CO -0.16 0.06 0.25 -0.08 0.00 0.00 0.00 178.15 178.22 1zug h GLU 37 N -1.06 0.34 0.00 2.37 4.81 -0.93 0.95 114.58 121.06 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 0.44 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1zug h GLU 37 CO 0.08 0.23 -0.00 0.00 -0.73 0.00 0.00 179.01 178.58 1zug h ALA 38 N 1.60 1.00 -0.47 2.92 0.00 -0.18 -3.44 119.26 120.69 1zug h ALA 38 Ca 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1zug h ALA 38 Cb 0.72 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1zug h ALA 38 CO -0.47 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.19 1zug n GLY 39 N -0.65 0.98 0.94 0.00 0.00 0.33 -5.04 105.19 101.75 1zug n GLY 39 Ca -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.16 1.21 -2.52 1.61 0.31 -0.87 -4.95 118.33 111.97 1zug n VAL 40 Ca 0.00 0.36 -0.40 0.00 -0.01 0.00 0.00 64.34 64.29 1zug n VAL 40 Cb 0.23 -1.65 -0.03 0.00 -0.91 0.00 0.00 33.84 31.48 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 -2.05 3.80 0.16 2.52 2.01 -0.79 -4.86 115.64 116.44 1zug s THR 41 Ca -0.03 -0.24 -0.15 0.00 0.31 0.00 0.00 61.69 61.57 1zug s THR 41 Cb 0.00 -4.93 0.03 0.00 0.01 0.00 0.00 72.50 67.62 1zug s THR 41 CO 0.05 -1.84 1.77 0.50 -0.69 0.00 0.00 174.62 174.41 1zug h LYS 42 N 10.11 0.37 -3.09 4.92 3.64 -1.92 -3.38 116.57 127.21 1zug h LYS 42 Ca -0.01 -0.02 -0.62 0.00 -1.27 0.00 0.00 60.65 58.73 1zug h LYS 42 Cb 1.03 -0.08 -0.40 0.00 -0.41 0.00 0.00 32.23 32.36 1zug h LYS 42 CO 1.35 0.24 -0.70 1.03 -2.27 0.00 0.00 179.45 179.10 1zug s ARG 43 N -6.15 1.57 -0.03 1.90 0.52 -1.26 -4.82 118.95 110.67 1zug s ARG 43 Ca -0.13 -2.30 -0.30 0.00 -0.52 0.00 0.00 55.73 52.48 1zug s ARG 43 Cb 0.12 -2.67 -0.04 0.00 0.52 0.00 0.00 34.95 32.88 1zug s ARG 43 CO 0.72 -1.16 1.23 -1.25 0.02 0.00 0.00 175.30 174.86 1zug s PRO 44 N 0.01 4.35 0.18 3.54 0.04 -1.26 -4.96 135.00 136.89 1zug s PRO 44 Ca 0.19 1.73 -0.14 0.00 0.04 0.00 0.00 61.00 62.81 1zug s PRO 44 Cb -0.22 -3.54 0.15 0.00 0.04 0.00 0.00 34.50 30.93 1zug s PRO 44 CO -0.02 -0.45 1.71 0.00 0.04 0.00 0.00 177.00 178.28 1zug h ARG 45 N 7.45 0.17 -0.34 4.56 -0.00 -1.99 -2.15 114.38 122.08 1zug h ARG 45 Ca -0.36 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.11 1zug h ARG 45 Cb 1.17 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 31.10 1zug h ARG 45 CO 0.88 0.11 0.00 1.97 0.00 0.00 0.00 179.97 182.93 1zug n PHE 46 N -5.15 0.00 -0.14 3.04 1.16 -1.26 -4.28 117.46 110.82 1zug n PHE 46 Ca 0.04 0.00 0.06 0.00 -1.87 0.00 0.00 57.45 55.68 1zug n PHE 46 Cb 0.22 -0.03 0.37 0.00 -1.61 0.00 0.00 39.48 38.43 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 0.19 0.62 0.19 5.98 -0.00 -1.79 -1.97 115.31 118.52 1zug h LEU 47 Ca 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1zug h LEU 47 Cb 0.17 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 1zug h LEU 47 CO 0.00 0.41 -0.09 0.15 -0.00 0.00 0.00 178.44 178.91 1zug h PHE 48 N 0.71 -0.24 0.27 0.17 3.57 -1.85 0.59 116.94 120.17 1zug h PHE 48 Ca 0.28 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1zug h PHE 48 Cb 0.20 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1zug h PHE 48 CO -0.00 -0.15 -0.19 0.93 -2.23 0.00 0.00 178.31 176.67 1zug h GLU 49 N -0.26 -0.45 -0.46 1.11 3.07 -1.72 -1.34 114.58 114.54 1zug h GLU 49 Ca -0.03 0.03 0.07 0.00 -0.50 0.00 0.00 59.36 58.93 1zug h GLU 49 Cb 0.20 0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 28.15 1zug h GLU 49 CO 0.04 -0.30 0.12 0.82 -1.40 0.00 0.00 179.01 178.30 1zug h ILE 50 N -0.46 0.79 0.34 3.13 2.04 -1.24 -0.20 117.51 121.91 1zug h ILE 50 Ca -0.02 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1zug h ILE 50 Cb 0.40 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1zug h ILE 50 CO 0.00 0.05 -0.21 0.00 0.00 0.00 0.00 178.15 177.99 1zug h ALA 51 N 1.33 -0.52 -0.73 1.87 0.00 -0.77 -0.27 119.26 120.17 1zug h ALA 51 Ca 0.22 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1zug h ALA 51 Cb 0.26 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1zug h ALA 51 CO -0.26 -0.80 0.22 0.52 0.00 0.00 0.00 179.25 178.92 1zug h MET 52 N -0.53 1.13 -0.73 0.00 2.86 -0.91 0.21 114.93 116.97 1zug h MET 52 Ca -0.03 -0.24 0.03 0.00 -2.06 0.00 0.00 59.70 57.39 1zug h MET 52 Cb 0.44 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 1zug h MET 52 CO 0.03 0.97 0.47 0.00 1.06 0.00 0.00 176.91 179.44 1zug h ALA 53 N 1.15 0.96 0.00 6.32 0.00 -0.81 -1.94 119.26 124.93 1zug h ALA 53 Ca 0.23 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1zug h ALA 53 Cb 0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1zug h ALA 53 CO -0.01 0.28 -0.56 1.25 0.00 0.00 0.00 179.25 180.20 1zug h LEU 54 N 0.93 0.00 -2.35 0.00 7.12 -0.81 -3.48 115.31 116.71 1zug h LEU 54 Ca 0.29 0.00 -0.18 0.00 0.13 0.00 0.00 57.88 58.12 1zug h LEU 54 Cb -0.01 0.00 0.12 0.00 -0.53 0.00 0.00 40.66 40.24 1zug h LEU 54 CO -0.10 0.56 -0.53 0.59 -0.13 0.00 0.00 178.44 178.83 1zug n ASN 55 N -3.26 -3.99 -3.48 1.25 3.02 0.49 -5.00 115.26 104.29 1zug n ASN 55 Ca 0.02 -0.44 -0.20 0.00 -0.03 0.00 0.00 54.58 53.93 1zug n ASN 55 Cb 0.75 -3.52 -0.08 0.00 -0.61 0.00 0.00 39.78 36.32 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 -3.40 6.61 0.10 0.00 -1.08 -1.26 -4.14 116.67 113.50 1zug s ASP 57 Ca 0.38 0.72 -0.31 0.00 -0.52 0.00 0.00 52.55 52.83 1zug s ASP 57 Cb 0.02 -2.23 -0.12 0.00 -1.46 0.00 0.00 42.92 39.14 1zug s ASP 57 CO 0.26 0.14 1.60 -0.65 0.52 0.00 0.00 175.17 177.03 1zug h PRO 58 N 6.13 -0.68 -0.72 4.34 0.11 -1.92 -0.66 132.00 138.60 1zug h PRO 58 Ca -0.44 0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.68 1zug h PRO 58 Cb 1.19 0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.42 1zug h PRO 58 CO 0.71 -0.45 0.32 0.28 -0.21 0.00 0.00 178.00 178.65 1zug h VAL 59 N -0.70 1.24 -0.15 3.15 2.07 -1.96 -2.69 116.25 117.21 1zug h VAL 59 Ca -0.01 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1zug h VAL 59 Cb 0.67 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1zug h VAL 59 CO -0.13 0.29 0.01 -0.25 0.02 0.00 0.00 177.57 177.51 1zug h TRP 60 N 1.03 0.28 0.00 1.57 7.01 -1.55 0.23 115.95 124.53 1zug h TRP 60 Ca 0.25 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.20 1zug h TRP 60 Cb 0.14 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.13 1zug h TRP 60 CO 0.01 0.47 0.00 1.37 -2.79 0.00 0.00 178.44 177.51 1zug h LEU 61 N 0.02 0.00 0.00 0.65 8.10 -0.78 0.23 115.31 123.52 1zug h LEU 61 Ca 0.04 0.00 -0.28 0.00 0.11 0.00 0.00 57.88 57.75 1zug h LEU 61 Cb 0.35 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.52 1zug h LEU 61 CO 0.01 0.00 -2.05 0.00 -4.11 0.00 0.00 178.44 172.28 1zug n GLN 62 N -2.90 0.97 -0.00 0.17 10.64 -1.14 -4.27 117.38 120.84 1zug n GLN 62 Ca -0.02 0.06 0.02 0.00 -1.83 0.00 0.00 57.00 55.23 1zug n GLN 62 Cb 0.10 -1.38 -0.03 0.00 -0.86 0.00 0.00 30.24 28.06 1zug n GLN 62 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1zug n TYR 63 N -2.83 0.00 -2.40 2.61 4.01 0.79 -3.30 117.16 116.04 1zug n TYR 63 Ca -0.29 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.41 1zug n TYR 63 Cb 0.91 -0.09 0.02 0.00 -0.31 0.00 0.00 39.34 39.87 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 2.07 0.37 3.25 2.72 0.00 0.06 -4.70 105.19 108.96 1zug n GLY 64 Ca -0.01 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.07 1.35 0.00 2.61 -4.23 -1.26 -4.85 115.64 106.18 1zug s THR 65 Ca 0.03 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 1zug s THR 65 Cb -0.01 -1.62 0.00 0.00 1.34 0.00 0.00 72.50 72.21 1zug s THR 65 CO 0.15 -0.48 0.00 0.29 -0.54 0.00 0.00 174.62 174.04 1zug n LYS 66 N 0.35 0.00 -2.24 3.99 5.02 -1.26 -3.49 118.16 120.54 1zug n LYS 66 Ca -0.14 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.72 1zug n LYS 66 Cb 0.58 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.56 1zug n LYS 66 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1zug s ARG 67 N 0.00 3.97 -0.38 1.97 3.52 -1.26 -4.91 118.95 121.87 1zug s ARG 67 Ca 0.00 1.64 -0.03 0.00 -0.13 0.00 0.00 55.73 57.20 1zug s ARG 67 Cb 0.00 -3.93 -0.07 0.00 -1.56 0.00 0.00 34.95 29.39 1zug s ARG 67 CO 0.00 -1.07 1.76 0.41 -0.81 0.00 0.00 175.30 175.60 1zug n GLY 68 N 4.28 2.31 2.87 8.12 0.00 -1.26 -4.79 105.19 116.72 1zug n GLY 68 Ca 0.17 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 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 3.18 1.07 -0.10 1.61 2.47 -1.26 -5.04 119.74 121.67 1zug s LYS 69 Ca 0.27 -0.11 0.01 0.00 -1.56 0.00 0.00 55.97 54.58 1zug s LYS 69 Cb 0.09 -1.18 0.15 0.00 -1.46 0.00 0.00 37.83 35.43 1zug s LYS 69 CO -0.01 -0.20 1.23 0.00 0.16 0.00 0.00 175.35 176.52 1zug n ALA 70 N 4.68 3.23 1.62 3.13 0.00 -1.26 -5.00 120.51 126.91 1zug n ALA 70 Ca -0.15 -0.64 0.14 0.00 0.00 0.00 0.00 53.44 52.79 1zug n ALA 70 Cb 0.50 -1.10 0.63 0.00 0.00 0.00 0.00 19.45 19.48 1zug n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50