#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 1.72 -3.97 0.03 6.02 -1.26 -3.07 117.38 116.84 1zug n GLN 2 Ca 0.00 -0.82 -0.09 0.00 -0.01 0.00 0.00 57.00 56.08 1zug n GLN 2 Cb 0.00 -1.87 -0.11 0.00 1.02 0.00 0.00 30.24 29.28 1zug n GLN 2 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1zug s THR 3 N 1.13 0.11 0.24 5.09 -4.23 -1.26 -4.62 115.64 112.10 1zug s THR 3 Ca 0.55 -0.95 -0.08 0.00 -1.18 0.00 0.00 61.69 60.03 1zug s THR 3 Cb 0.26 -0.43 0.28 0.00 1.34 0.00 0.00 72.50 73.95 1zug s THR 3 CO 0.00 -0.52 1.63 -0.07 -0.54 0.00 0.00 174.62 175.12 1zug h LEU 4 N 4.40 -0.42 0.24 4.79 4.07 -1.67 0.15 115.31 126.87 1zug h LEU 4 Ca -0.32 0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.83 1zug h LEU 4 Cb 1.20 0.37 0.00 0.00 1.08 0.00 0.00 40.66 43.31 1zug h LEU 4 CO 0.43 -0.19 -0.11 0.77 -1.08 0.00 0.00 178.44 178.26 1zug h SER 5 N 0.08 -0.27 0.60 -0.43 4.64 -1.84 -0.85 113.55 115.49 1zug h SER 5 Ca 0.39 -0.21 -0.03 0.00 -0.47 0.00 0.00 61.79 61.47 1zug h SER 5 Cb 0.68 0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.84 1zug h SER 5 CO -0.68 0.09 -0.29 -0.33 -0.87 0.00 0.00 176.83 174.75 1zug h GLU 6 N -0.66 -0.77 -0.65 4.77 5.08 -1.77 0.39 114.58 120.96 1zug h GLU 6 Ca -0.03 0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1zug h GLU 6 Cb 0.46 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1zug h GLU 6 CO 0.05 -0.48 0.15 -0.09 -1.00 0.00 0.00 179.01 177.64 1zug h ARG 7 N -0.90 1.02 -0.00 2.33 9.65 -0.89 -1.49 114.38 124.10 1zug h ARG 7 Ca -0.08 -0.23 -0.05 0.00 -1.10 0.00 0.00 59.98 58.51 1zug h ARG 7 Cb 0.65 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1zug h ARG 7 CO 0.13 0.91 -0.20 1.25 2.80 0.00 0.00 179.97 184.86 1zug h LEU 8 N 0.97 0.18 -0.93 3.80 5.85 -1.09 -3.12 115.31 120.98 1zug h LEU 8 Ca 0.21 -0.77 0.11 0.00 0.84 0.00 0.00 57.88 58.26 1zug h LEU 8 Cb 0.35 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.24 1zug h LEU 8 CO 0.00 0.93 0.57 0.50 -0.34 0.00 0.00 178.44 180.10 1zug h LYS 9 N -0.55 0.90 -0.19 1.25 3.64 -0.83 -1.62 116.57 119.16 1zug h LYS 9 Ca -0.02 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1zug h LYS 9 Cb 0.96 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 1zug h LYS 9 CO 0.04 0.59 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.59 1zug h LYS 10 N 0.92 0.05 -0.27 1.90 3.64 -1.35 -2.30 116.57 119.16 1zug h LYS 10 Ca 0.45 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.73 1zug h LYS 10 Cb 0.42 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1zug h LYS 10 CO -0.25 0.03 -0.27 -0.09 -2.27 0.00 0.00 179.45 176.60 1zug h ARG 11 N 0.05 0.54 -0.78 1.90 9.65 -1.34 -2.11 114.38 122.30 1zug h ARG 11 Ca 0.09 -0.22 0.08 0.00 -1.10 0.00 0.00 59.98 58.83 1zug h ARG 11 Cb 0.11 -0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.60 1zug h ARG 11 CO -0.16 0.76 0.45 0.00 2.80 0.00 0.00 179.97 183.82 1zug h ARG 12 N 0.47 0.76 0.49 0.20 3.08 -1.01 0.99 114.38 119.37 1zug h ARG 12 Ca 0.06 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1zug h ARG 12 Cb 0.72 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1zug h ARG 12 CO 0.05 0.50 -0.24 0.82 -1.07 0.00 0.00 179.97 180.04 1zug h ILE 13 N 0.79 0.51 -0.98 2.04 2.04 -1.02 0.30 117.51 121.19 1zug h ILE 13 Ca 0.36 -0.12 0.13 0.00 1.00 0.00 0.00 64.86 66.24 1zug h ILE 13 Cb 0.27 0.56 -0.08 0.00 -0.74 0.00 0.00 36.82 36.83 1zug h ILE 13 CO -0.21 0.02 0.62 0.00 0.00 0.00 0.00 178.15 178.58 1zug h ALA 14 N -0.25 1.61 -0.46 1.87 0.00 -0.91 -1.09 119.26 120.03 1zug h ALA 14 Ca -0.07 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1zug h ALA 14 Cb 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1zug h ALA 14 CO 0.11 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.77 1zug n LEU 15 N -4.62 4.16 -4.33 0.00 7.99 0.30 -4.94 117.00 115.55 1zug n LEU 15 Ca 0.19 -2.11 -0.37 0.00 -0.01 0.00 0.00 56.01 53.72 1zug n LEU 15 Cb 0.41 -0.57 -0.06 0.00 -0.11 0.00 0.00 43.42 43.08 1zug n LEU 15 CO 0.27 0.58 -0.18 2.29 -1.51 0.00 0.00 177.39 178.84 1zug n LYS 16 N 0.63 -1.87 -4.59 3.23 2.85 -0.41 -4.94 118.16 113.07 1zug n LYS 16 Ca 0.20 0.24 -0.34 0.00 -1.05 0.00 0.00 58.31 57.36 1zug n LYS 16 Cb 0.84 -4.62 -0.12 0.00 -0.65 0.00 0.00 35.03 30.48 1zug n LYS 16 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1zug s MET 17 N -7.09 3.08 0.16 -1.58 1.75 0.99 -5.01 119.30 111.61 1zug s MET 17 Ca 0.57 -0.56 0.04 0.00 -1.25 0.00 0.00 55.69 54.49 1zug s MET 17 Cb -0.32 -2.68 -0.04 0.00 2.84 0.00 0.00 34.83 34.63 1zug s MET 17 CO 0.97 0.49 0.21 0.95 -0.65 0.00 0.00 175.02 177.00 1zug s THR 18 N -0.34 4.87 0.26 10.11 -4.23 -1.26 -4.35 115.64 120.70 1zug s THR 18 Ca 0.05 -0.93 -0.03 0.00 -1.18 0.00 0.00 61.69 59.60 1zug s THR 18 Cb -0.12 -3.51 0.26 0.00 1.34 0.00 0.00 72.50 70.47 1zug s THR 18 CO 0.02 -0.12 1.88 1.56 -0.54 0.00 0.00 174.62 177.42 1zug h GLN 19 N 2.20 1.11 -0.78 3.99 4.20 -1.98 -0.67 115.11 123.18 1zug h GLN 19 Ca -0.48 -0.07 0.08 0.00 0.06 0.00 0.00 58.65 58.24 1zug h GLN 19 Cb 1.20 -0.25 -0.07 0.00 0.30 0.00 0.00 27.48 28.66 1zug h GLN 19 CO 0.65 0.74 0.45 1.15 -0.67 0.00 0.00 178.83 181.14 1zug h THR 20 N 1.15 0.93 0.30 -0.54 2.02 -1.96 0.60 112.91 115.42 1zug h THR 20 Ca 0.42 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 1zug h THR 20 Cb 0.15 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1zug h THR 20 CO -0.17 0.14 -0.15 -0.08 0.37 0.00 0.00 175.52 175.64 1zug h GLU 21 N 0.77 -0.39 -0.62 6.66 4.81 -1.74 -2.31 114.58 121.76 1zug h GLU 21 Ca 0.37 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.58 1zug h GLU 21 Cb 0.30 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1zug h GLU 21 CO -0.23 -0.21 0.23 1.25 -0.73 0.00 0.00 179.01 179.32 1zug h LEU 22 N -0.49 0.87 -0.41 1.64 5.85 -0.75 -1.79 115.31 120.23 1zug h LEU 22 Ca -0.04 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.56 1zug h LEU 22 Cb 0.37 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 1zug h LEU 22 CO 0.07 0.82 0.06 0.00 -0.34 0.00 0.00 178.44 179.05 1zug h ALA 23 N 1.08 0.43 0.27 1.25 0.00 0.19 0.26 119.26 122.74 1zug h ALA 23 Ca 0.20 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1zug h ALA 23 Cb 0.24 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1zug h ALA 23 CO -0.01 -0.34 -0.15 1.15 0.00 0.00 0.00 179.25 179.89 1zug h THR 24 N 0.18 0.68 -0.65 0.00 2.02 -0.79 0.20 112.91 114.54 1zug h THR 24 Ca 0.20 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 1zug h THR 24 Cb 0.26 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1zug h THR 24 CO -0.29 0.00 0.34 0.11 0.37 0.00 0.00 175.52 176.05 1zug h LYS 25 N -0.40 0.93 0.00 6.66 1.57 -0.93 -2.11 116.57 122.29 1zug h LYS 25 Ca -0.03 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1zug h LYS 25 Cb 0.33 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1zug h LYS 25 CO 0.04 0.72 0.00 0.00 -0.57 0.00 0.00 179.45 179.63 1zug n ALA 26 N -2.34 2.05 -2.92 3.86 0.00 0.87 -4.72 120.51 117.30 1zug n ALA 26 Ca 0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1zug n ALA 26 Cb 0.11 -1.38 0.03 0.00 0.00 0.00 0.00 19.45 18.21 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 0.85 0.19 3.45 0.00 0.00 -0.05 -4.73 105.19 104.90 1zug n GLY 27 Ca 0.05 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 1zug n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1zug s VAL 28 N -3.07 0.58 0.16 1.61 1.01 0.51 -5.02 120.40 116.17 1zug s VAL 28 Ca 0.25 -2.00 -0.16 0.00 0.00 0.00 0.00 61.98 60.06 1zug s VAL 28 Cb -0.11 -2.46 -0.07 0.00 0.00 0.00 0.00 36.38 33.74 1zug s VAL 28 CO 0.31 0.00 0.60 -0.75 0.00 0.00 0.00 175.10 175.25 1zug s LYS 29 N -3.75 4.08 0.15 2.72 2.36 -1.26 -4.03 119.74 120.01 1zug s LYS 29 Ca 0.29 0.63 -0.27 0.00 -2.55 0.00 0.00 55.97 54.07 1zug s LYS 29 Cb 0.04 -2.96 -0.00 0.00 -1.05 0.00 0.00 37.83 33.85 1zug s LYS 29 CO 0.16 0.48 1.58 0.37 1.55 0.00 0.00 175.35 179.49 1zug h GLN 30 N 3.66 -0.34 -0.96 4.03 4.15 -1.91 -2.20 115.11 121.55 1zug h GLN 30 Ca -0.49 0.02 0.18 0.00 0.77 0.00 0.00 58.65 59.14 1zug h GLN 30 Cb 1.20 0.08 -0.09 0.00 0.21 0.00 0.00 27.48 28.88 1zug h GLN 30 CO 0.65 -0.22 0.61 1.96 -1.93 0.00 0.00 178.83 179.90 1zug h GLN 31 N -0.35 0.65 -0.46 1.69 7.50 -1.95 -0.51 115.11 121.68 1zug h GLN 31 Ca 0.13 -0.04 0.02 0.00 0.50 0.00 0.00 58.65 59.26 1zug h GLN 31 Cb 0.58 -0.15 -0.03 0.00 0.05 0.00 0.00 27.48 27.94 1zug h GLN 31 CO -0.53 0.43 0.27 0.77 -1.50 0.00 0.00 178.83 178.27 1zug h SER 32 N 0.67 0.45 -0.29 1.46 0.02 -1.81 -0.03 113.55 114.02 1zug h SER 32 Ca 0.51 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.30 1zug h SER 32 Cb 0.90 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 1zug h SER 32 CO -0.27 0.32 -0.47 0.40 -1.14 0.00 0.00 176.83 175.66 1zug h ILE 33 N 0.55 1.28 -0.21 3.27 1.08 -1.05 -3.06 117.51 119.37 1zug h ILE 33 Ca 0.18 -1.65 -0.03 0.00 -0.39 0.00 0.00 64.86 62.97 1zug h ILE 33 Cb 0.01 1.53 -0.01 0.00 -3.07 0.00 0.00 36.82 35.27 1zug h ILE 33 CO -0.08 0.54 -0.00 1.56 -0.69 0.00 0.00 178.15 179.48 1zug h GLN 34 N 0.68 0.30 0.00 2.37 4.20 -0.37 -1.83 115.11 120.47 1zug h GLN 34 Ca 0.04 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1zug h GLN 34 Cb 1.06 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.79 1zug h GLN 34 CO 0.11 0.33 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.51 1zug h LEU 35 N 0.30 0.00 0.21 1.46 3.38 -0.92 0.35 115.31 120.08 1zug h LEU 35 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1zug h LEU 35 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1zug h LEU 35 CO 0.00 0.01 -0.10 0.40 0.09 0.00 0.00 178.44 178.85 1zug h ILE 36 N 0.00 0.75 -0.47 1.22 1.08 -1.40 0.43 117.51 119.12 1zug h ILE 36 Ca -0.00 -0.99 0.09 0.00 -0.39 0.00 0.00 64.86 63.57 1zug h ILE 36 Cb 0.04 1.23 -0.09 0.00 -3.07 0.00 0.00 36.82 34.93 1zug h ILE 36 CO 0.00 0.18 -0.11 -0.08 -0.69 0.00 0.00 178.15 177.45 1zug h GLU 37 N -0.86 0.00 0.00 2.37 4.81 -1.04 0.53 114.58 120.38 1zug h GLU 37 Ca -0.03 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1zug h GLU 37 Cb 0.51 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1zug h GLU 37 CO 0.05 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.33 1zug n ALA 38 N -2.80 2.21 -3.12 2.92 0.00 0.12 -4.70 120.51 115.14 1zug n ALA 38 Ca 0.04 -0.12 -0.17 0.00 0.00 0.00 0.00 53.44 53.19 1zug n ALA 38 Cb 0.25 -1.31 0.05 0.00 0.00 0.00 0.00 19.45 18.44 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 0.19 -0.16 0.36 0.00 0.00 0.18 -4.95 105.19 100.80 1zug n GLY 39 Ca 0.14 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.28 1.10 -2.73 1.61 0.31 -0.04 -4.80 118.33 109.51 1zug n VAL 40 Ca -0.03 -0.29 -0.43 0.00 -0.01 0.00 0.00 64.34 63.58 1zug n VAL 40 Cb 0.56 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 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 -3.85 4.12 -0.05 2.52 -1.04 -0.14 -4.80 114.28 111.04 1zug n THR 41 Ca -0.39 -4.42 0.05 0.00 -2.04 0.00 0.00 64.05 57.25 1zug n THR 41 Cb 0.79 -2.42 0.41 0.00 -1.82 0.00 0.00 70.33 67.28 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 7.16 0.58 -3.28 -2.82 1.57 -1.87 -3.33 116.57 114.58 1zug h LYS 42 Ca 0.38 -0.04 -0.63 0.00 -1.87 0.00 0.00 60.65 58.49 1zug h LYS 42 Cb 0.85 -0.13 -0.41 0.00 0.08 0.00 0.00 32.23 32.62 1zug h LYS 42 CO 1.37 0.39 -0.63 0.50 -0.57 0.00 0.00 179.45 180.50 1zug s ARG 43 N -5.53 1.98 -0.35 3.15 6.06 -1.26 -5.04 118.95 117.96 1zug s ARG 43 Ca -0.09 -2.68 -0.26 0.00 -2.50 0.00 0.00 55.73 50.20 1zug s ARG 43 Cb 0.18 -3.22 0.01 0.00 0.06 0.00 0.00 34.95 31.98 1zug s ARG 43 CO 0.74 -1.15 0.93 -1.25 -2.50 0.00 0.00 175.30 172.08 1zug s PRO 44 N -0.42 3.91 0.26 5.12 0.04 -1.25 -4.93 135.00 137.72 1zug s PRO 44 Ca 0.18 0.69 -0.02 0.00 0.04 0.00 0.00 61.00 61.89 1zug s PRO 44 Cb -0.22 -3.78 0.48 0.00 0.04 0.00 0.00 34.50 31.02 1zug s PRO 44 CO -0.03 -0.89 1.78 -0.09 0.04 0.00 0.00 177.00 177.81 1zug h ARG 45 N 8.33 0.68 -0.42 4.56 1.12 -1.98 -1.72 114.38 124.95 1zug h ARG 45 Ca -0.23 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.60 1zug h ARG 45 Cb 1.08 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.89 1zug h ARG 45 CO 0.98 0.45 0.00 1.97 -3.11 0.00 0.00 179.97 180.25 1zug n PHE 46 N -4.81 0.00 -0.09 2.20 -1.74 -1.26 -4.23 117.46 107.53 1zug n PHE 46 Ca 0.16 0.00 -0.06 0.00 -0.56 0.00 0.00 57.45 56.98 1zug n PHE 46 Cb 0.37 -0.04 -0.00 0.00 1.52 0.00 0.00 39.48 41.32 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 0.12 -0.39 -0.30 5.98 5.85 -1.72 -0.87 115.31 123.98 1zug h LEU 47 Ca 0.00 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.89 1zug h LEU 47 Cb 0.21 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 1zug h LEU 47 CO 0.00 -0.14 -0.08 0.15 -0.34 0.00 0.00 178.44 178.03 1zug h PHE 48 N -0.05 -0.17 0.05 1.25 3.04 -1.84 0.18 116.94 119.40 1zug h PHE 48 Ca 0.16 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.16 1zug h PHE 48 Cb 0.29 0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.89 1zug h PHE 48 CO -0.33 -0.13 -0.17 0.93 -2.02 0.00 0.00 178.31 176.59 1zug h GLU 49 N -0.01 -0.29 0.05 1.11 3.07 -1.74 -0.98 114.58 115.79 1zug h GLU 49 Ca 0.14 0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.04 1zug h GLU 49 Cb 0.23 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 1zug h GLU 49 CO -0.31 -0.19 -0.18 0.82 -1.40 0.00 0.00 179.01 177.75 1zug h ILE 50 N -0.30 0.58 -0.49 3.13 2.04 -0.83 -0.79 117.51 120.85 1zug h ILE 50 Ca 0.04 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.96 1zug h ILE 50 Cb 0.34 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 1zug h ILE 50 CO -0.12 0.00 0.17 0.00 0.00 0.00 0.00 178.15 178.19 1zug h ALA 51 N 0.56 0.59 -0.22 1.87 0.00 -0.62 0.39 119.26 121.83 1zug h ALA 51 Ca 0.04 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1zug h ALA 51 Cb 0.36 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1zug h ALA 51 CO -0.13 -0.23 -0.44 0.52 0.00 0.00 0.00 179.25 178.97 1zug h MET 52 N 0.34 0.68 -0.95 0.00 2.86 -1.05 0.16 114.93 116.97 1zug h MET 52 Ca 0.23 -0.44 0.15 0.00 -2.06 0.00 0.00 59.70 57.58 1zug h MET 52 Cb 0.25 0.06 -0.09 0.00 0.06 0.00 0.00 31.60 31.88 1zug h MET 52 CO -0.25 1.06 0.56 0.00 1.06 0.00 0.00 176.91 179.35 1zug h ALA 53 N 0.61 1.48 -0.28 6.32 0.00 -0.77 -1.90 119.26 124.71 1zug h ALA 53 Ca 0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1zug h ALA 53 Cb 1.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1zug h ALA 53 CO 0.10 0.03 0.00 -0.11 0.00 0.00 0.00 179.25 179.27 1zug n LEU 54 N -4.75 2.70 -4.14 0.00 7.94 0.09 -4.94 117.00 113.90 1zug n LEU 54 Ca 0.20 -1.14 -0.31 0.00 -1.11 0.00 0.00 56.01 53.64 1zug n LEU 54 Cb 0.45 -0.18 -0.04 0.00 0.53 0.00 0.00 43.42 44.18 1zug n LEU 54 CO 0.23 0.57 -0.20 0.59 -1.11 0.00 0.00 177.39 177.47 1zug n ASN 55 N 1.00 -1.19 -3.89 1.96 3.02 -0.38 -4.98 115.26 110.80 1zug n ASN 55 Ca 0.18 -1.07 -0.20 0.00 -0.03 0.00 0.00 54.58 53.46 1zug n ASN 55 Cb 0.49 -2.63 -0.09 0.00 -0.61 0.00 0.00 39.78 36.94 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 7.10 0.13 0.00 -1.08 -1.26 -4.33 116.67 113.83 1zug s ASP 57 Ca 0.35 1.38 -0.27 0.00 -0.52 0.00 0.00 52.55 53.49 1zug s ASP 57 Cb 0.04 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.92 1zug s ASP 57 CO 0.19 -0.65 1.61 -0.65 0.52 0.00 0.00 175.17 176.19 1zug h PRO 58 N 7.43 -0.44 -0.88 4.34 0.11 -1.91 -1.82 132.00 138.84 1zug h PRO 58 Ca -0.20 0.03 0.12 0.00 0.11 0.00 0.00 66.00 66.06 1zug h PRO 58 Cb 1.07 0.10 -0.07 0.00 0.11 0.00 0.00 31.00 32.21 1zug h PRO 58 CO 0.97 -0.29 0.57 0.28 -0.21 0.00 0.00 178.00 179.32 1zug h VAL 59 N -0.45 0.89 0.35 3.15 2.07 -1.82 -1.79 116.25 118.65 1zug h VAL 59 Ca 0.07 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1zug h VAL 59 Cb 0.56 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1zug h VAL 59 CO -0.30 0.14 -0.17 -0.25 0.02 0.00 0.00 177.57 177.01 1zug h TRP 60 N 0.77 -0.44 0.00 1.57 7.01 -0.74 0.33 115.95 124.44 1zug h TRP 60 Ca 0.43 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.42 1zug h TRP 60 Cb 0.58 0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.79 1zug h TRP 60 CO -0.00 -0.11 0.00 1.47 -2.79 0.00 0.00 178.44 177.01 1zug n LEU 61 N -5.16 0.00 -0.12 0.65 -0.00 -0.75 -0.16 117.00 111.45 1zug n LEU 61 Ca -0.10 0.33 -0.22 0.00 -0.00 0.00 0.00 56.01 56.02 1zug n LEU 61 Cb 0.27 -0.33 -0.07 0.00 -0.00 0.00 0.00 43.42 43.29 1zug n LEU 61 CO 0.30 -0.15 -1.16 1.67 -0.00 0.00 0.00 177.39 178.05 1zug n GLN 62 N -1.33 0.54 -0.00 1.47 7.27 -0.72 -4.12 117.38 120.48 1zug n GLN 62 Ca 0.07 0.23 0.07 0.00 0.07 0.00 0.00 57.00 57.43 1zug n GLN 62 Cb 0.14 -1.41 -0.09 0.00 2.41 0.00 0.00 30.24 31.29 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 -4.25 0.00 -0.15 3.69 4.01 0.11 -2.48 117.16 118.10 1zug n TYR 63 Ca -0.39 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.35 1zug n TYR 63 Cb 0.75 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 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 1.50 0.86 3.53 2.72 0.00 0.77 -4.47 105.19 110.10 1zug n GLY 64 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.49 5.19 -1.33 2.61 -4.23 -1.25 -4.84 115.64 109.31 1zug s THR 65 Ca 0.00 -0.17 -0.17 0.00 -1.18 0.00 0.00 61.69 60.17 1zug s THR 65 Cb 0.00 -3.63 0.06 0.00 1.34 0.00 0.00 72.50 70.28 1zug s THR 65 CO 0.00 0.05 1.84 1.17 -0.54 0.00 0.00 174.62 177.14 1zug n LYS 66 N 5.08 3.13 -0.12 3.99 0.00 -1.26 -2.01 118.16 126.96 1zug n LYS 66 Ca -0.13 -3.14 -0.25 0.00 0.00 0.00 0.00 58.31 54.79 1zug n LYS 66 Cb 0.50 -3.45 -0.09 0.00 0.00 0.00 0.00 35.03 31.99 1zug n LYS 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1zug n ARG 67 N 7.88 0.53 0.00 1.64 3.00 -1.26 -5.04 116.66 123.42 1zug n ARG 67 Ca 0.50 0.21 0.00 0.00 -0.00 0.00 0.00 57.85 58.56 1zug n ARG 67 Cb 0.44 -1.38 0.00 0.00 0.00 0.00 0.00 32.46 31.52 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 1.60 1.91 3.65 5.14 0.00 -1.26 -2.15 105.19 114.08 1zug n GLY 68 Ca -0.47 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 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 4.19 -1.27 1.61 2.47 -1.26 -3.96 119.74 121.52 1zug s LYS 69 Ca 0.00 1.49 -0.12 0.00 -1.56 0.00 0.00 55.97 55.78 1zug s LYS 69 Cb 0.00 -3.75 0.15 0.00 -1.46 0.00 0.00 37.83 32.77 1zug s LYS 69 CO 0.00 -0.76 1.73 0.00 0.16 0.00 0.00 175.35 176.48 1zug n ALA 70 N 6.69 4.66 0.00 3.13 0.00 -0.91 -5.18 120.51 128.90 1zug n ALA 70 Ca 0.13 -4.22 0.00 0.00 0.00 0.00 0.00 53.44 49.36 1zug n ALA 70 Cb 0.45 -3.10 0.00 0.00 0.00 0.00 0.00 19.45 16.80 1zug n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50