#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjg s ILE 3 N 0.00 4.97 0.55 4.25 1.09 -1.26 -5.05 121.20 125.75 1fjg s ILE 3 Ca 0.00 0.16 -0.16 0.00 -1.10 0.00 0.00 60.65 59.55 1fjg s ILE 3 Cb 0.00 -4.05 -0.06 0.00 -1.06 0.00 0.00 42.46 37.29 1fjg s ILE 3 CO 0.00 -0.36 1.01 0.42 -0.10 0.00 0.00 174.94 175.91 1fjg s THR 4 N 2.48 4.32 0.29 2.92 -4.23 -1.26 -4.83 115.64 115.33 1fjg s THR 4 Ca 0.19 1.08 0.01 0.00 -1.18 0.00 0.00 61.69 61.79 1fjg s THR 4 Cb -0.15 -3.63 0.35 0.00 1.34 0.00 0.00 72.50 70.41 1fjg s THR 4 CO 0.15 -0.67 1.61 0.11 -0.54 0.00 0.00 174.62 175.28 1fjg h LYS 5 N 0.66 0.09 0.00 3.99 1.57 -1.99 -0.69 116.57 120.20 1fjg h LYS 5 Ca -0.47 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1fjg h LYS 5 Cb 1.20 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1fjg h LYS 5 CO 0.60 0.06 0.00 0.39 -0.57 0.00 0.00 179.45 179.93 1fjg n GLU 6 N -5.36 0.00 -0.33 3.15 -0.58 -1.26 -1.17 120.64 115.09 1fjg n GLU 6 Ca 0.22 0.49 0.28 0.00 -0.42 0.00 0.00 57.16 57.72 1fjg n GLU 6 Cb 0.71 -1.27 0.53 0.00 -0.57 0.00 0.00 31.44 30.84 1fjg n GLU 6 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1fjg h GLU 7 N 0.00 0.11 0.10 3.49 5.08 -1.68 -1.08 114.58 120.60 1fjg h GLU 7 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1fjg h GLU 7 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1fjg h GLU 7 CO 0.00 0.07 -0.05 -0.22 -1.00 0.00 0.00 179.01 177.81 1fjg h LYS 8 N 0.11 -0.13 0.00 2.33 3.64 -0.81 -2.90 116.57 118.80 1fjg h LYS 8 Ca 0.79 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 60.18 1fjg h LYS 8 Cb 1.97 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.82 1fjg h LYS 8 CO -0.72 -0.09 0.29 1.96 -2.27 0.00 0.00 179.45 178.62 1fjg h GLN 9 N -0.19 0.00 -0.39 1.90 4.20 -0.74 0.85 115.11 120.74 1fjg h GLN 9 Ca -0.01 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 1fjg h GLN 9 Cb 0.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1fjg h GLN 9 CO 0.02 0.00 0.02 -0.22 -0.67 0.00 0.00 178.83 177.99 1fjg h LYS 10 N 0.00 0.68 -0.14 1.46 1.63 -1.16 -1.88 116.57 117.16 1fjg h LYS 10 Ca 0.00 -0.20 -0.05 0.00 -0.85 0.00 0.00 60.65 59.55 1fjg h LYS 10 Cb 0.58 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1fjg h LYS 10 CO 0.00 0.76 -0.10 0.28 -3.45 0.00 0.00 179.45 176.94 1fjg h VAL 11 N 0.51 1.33 -0.03 2.00 2.07 0.88 -1.15 116.25 121.86 1fjg h VAL 11 Ca 0.11 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.45 1fjg h VAL 11 Cb 0.44 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 1fjg h VAL 11 CO 0.02 0.35 -0.37 0.40 0.02 0.00 0.00 177.57 177.98 1fjg h ILE 12 N -0.04 0.00 -0.24 4.57 2.04 -1.07 -0.59 117.51 122.18 1fjg h ILE 12 Ca 0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1fjg h ILE 12 Cb 0.60 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 1fjg h ILE 12 CO 0.03 0.00 -0.07 1.56 0.00 0.00 0.00 178.15 179.66 1fjg h GLN 13 N -0.45 -0.02 -1.43 2.37 4.20 -1.41 0.37 115.11 118.74 1fjg h GLN 13 Ca 0.01 0.00 0.47 0.00 0.06 0.00 0.00 58.65 59.20 1fjg h GLN 13 Cb 0.49 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.15 1fjg h GLN 13 CO -0.27 -0.01 0.94 1.49 -0.67 0.00 0.00 178.83 180.31 1fjg h GLU 14 N -0.02 0.03 0.00 1.46 4.57 -0.09 -1.94 114.58 118.59 1fjg h GLU 14 Ca 0.12 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1fjg h GLU 14 Cb 0.20 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1fjg h GLU 14 CO -0.26 0.02 -0.97 1.19 -1.18 0.00 0.00 179.01 177.81 1fjg n PHE 15 N -4.62 0.00 -1.49 0.92 3.01 -0.34 -5.06 117.46 109.88 1fjg n PHE 15 Ca 0.40 0.00 -0.49 0.00 1.01 0.00 0.00 57.45 58.37 1fjg n PHE 15 Cb 1.57 -0.10 -0.04 0.00 -0.01 0.00 0.00 39.48 40.90 1fjg n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1fjg n ALA 16 N -1.54 -2.02 0.21 4.37 0.00 0.12 -4.54 120.51 117.11 1fjg n ALA 16 Ca -0.00 0.46 0.06 0.00 0.00 0.00 0.00 53.44 53.95 1fjg n ALA 16 Cb 0.15 -1.80 0.47 0.00 0.00 0.00 0.00 19.45 18.27 1fjg n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fjg h ARG 17 N 1.94 0.00 -2.07 0.00 2.47 -1.89 -3.47 114.38 111.36 1fjg h ARG 17 Ca -0.37 0.00 0.21 0.00 -1.26 0.00 0.00 59.98 58.57 1fjg h ARG 17 Cb 1.40 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.62 1fjg h ARG 17 CO 0.61 0.28 0.59 -0.59 0.56 0.00 0.00 179.97 181.42 1fjg s PHE 18 N -4.13 -0.13 -0.29 3.04 -0.12 -1.26 -5.06 117.98 110.04 1fjg s PHE 18 Ca -0.02 -0.10 -0.40 0.00 -0.05 0.00 0.00 56.93 56.36 1fjg s PHE 18 Cb 0.14 0.60 -0.15 0.00 -0.63 0.00 0.00 43.02 42.97 1fjg s PHE 18 CO 0.68 -0.63 1.80 -2.30 -0.05 0.00 0.00 175.22 174.72 1fjg n PRO 19 N -0.44 1.16 -0.43 1.99 -0.02 -1.26 -0.86 135.00 135.13 1fjg n PRO 19 Ca -0.07 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1fjg n PRO 19 Cb 0.61 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1fjg n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fjg n GLY 20 N 4.50 0.76 3.57 -1.23 0.00 -1.26 -5.02 105.19 106.52 1fjg n GLY 20 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 1fjg n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fjg s ASP 21 N -2.32 6.20 -0.23 1.61 3.68 -0.04 -4.84 116.67 120.74 1fjg s ASP 21 Ca 0.00 0.20 0.04 0.00 2.13 0.00 0.00 52.55 54.92 1fjg s ASP 21 Cb 0.00 -2.55 -0.20 0.00 -1.45 0.00 0.00 42.92 38.72 1fjg s ASP 21 CO 0.00 -1.67 -0.08 0.35 0.13 0.00 0.00 175.17 173.90 1fjg n THR 22 N 6.79 1.52 -3.14 1.71 -2.24 -1.26 -4.65 114.28 113.01 1fjg n THR 22 Ca 0.11 -0.64 -0.22 0.00 -2.27 0.00 0.00 64.05 61.03 1fjg n THR 22 Cb 0.49 -1.29 -0.04 0.00 -2.10 0.00 0.00 70.33 67.38 1fjg n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fjg n GLY 23 N 2.12 4.17 3.99 3.38 0.00 -1.26 -4.66 105.19 112.93 1fjg n GLY 23 Ca -0.41 -2.07 -0.19 0.00 0.00 0.00 0.00 46.02 43.35 1fjg n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fjg s SER 24 N -2.56 5.79 0.24 1.61 0.01 -1.26 -4.85 113.70 112.68 1fjg s SER 24 Ca 0.42 -0.19 -0.05 0.00 1.31 0.00 0.00 55.95 57.43 1fjg s SER 24 Cb 0.29 -1.05 0.42 0.00 0.21 0.00 0.00 66.02 65.90 1fjg s SER 24 CO -0.10 -0.64 1.73 0.74 0.41 0.00 0.00 173.24 175.39 1fjg h THR 25 N 0.68 0.66 -0.01 1.44 2.02 -1.98 0.08 112.91 115.80 1fjg h THR 25 Ca -0.44 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 1fjg h THR 25 Cb 1.27 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1fjg h THR 25 CO 0.51 0.08 0.01 -0.33 0.37 0.00 0.00 175.52 176.15 1fjg h GLU 26 N 0.42 0.02 0.81 6.66 3.07 -1.94 -0.10 114.58 123.52 1fjg h GLU 26 Ca 0.39 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.22 1fjg h GLU 26 Cb 0.59 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1fjg h GLU 26 CO -0.40 0.07 -0.46 0.28 -1.40 0.00 0.00 179.01 177.10 1fjg h VAL 27 N -0.03 0.00 -0.64 3.13 2.07 -1.62 -0.48 116.25 118.68 1fjg h VAL 27 Ca 0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 1fjg h VAL 27 Cb 0.05 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.70 1fjg h VAL 27 CO -0.00 0.00 -0.21 1.56 0.02 0.00 0.00 177.57 178.94 1fjg h GLN 28 N -1.18 -0.04 -0.44 1.57 4.20 -1.01 0.37 115.11 118.58 1fjg h GLN 28 Ca -0.11 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1fjg h GLN 28 Cb 0.93 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 1fjg h GLN 28 CO 0.13 -0.03 0.25 0.28 -0.67 0.00 0.00 178.83 178.79 1fjg h VAL 29 N -0.05 1.13 0.40 -0.54 2.07 -0.90 -0.37 116.25 118.00 1fjg h VAL 29 Ca 0.30 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1fjg h VAL 29 Cb 0.51 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1fjg h VAL 29 CO -0.68 0.14 -0.19 0.00 0.02 0.00 0.00 177.57 176.86 1fjg h ALA 30 N 1.67 -0.54 -0.66 1.67 0.00 0.13 -1.23 119.26 120.31 1fjg h ALA 30 Ca 0.16 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1fjg h ALA 30 Cb 0.00 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1fjg h ALA 30 CO -0.03 -0.68 0.32 -0.07 0.00 0.00 0.00 179.25 178.80 1fjg h LEU 31 N -0.79 0.42 -0.12 0.00 4.07 -0.56 -1.16 115.31 117.18 1fjg h LEU 31 Ca -0.05 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1fjg h LEU 31 Cb 0.53 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 1fjg h LEU 31 CO 0.09 0.25 0.07 -0.07 -1.08 0.00 0.00 178.44 177.71 1fjg h LEU 32 N 0.57 0.13 -0.88 1.67 3.38 -1.06 -1.84 115.31 117.28 1fjg h LEU 32 Ca 0.32 -0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.41 1fjg h LEU 32 Cb 0.31 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 1fjg h LEU 32 CO -0.25 0.11 0.48 0.74 0.09 0.00 0.00 178.44 179.61 1fjg h THR 33 N 0.14 0.76 0.31 0.22 2.02 -0.59 0.22 112.91 116.00 1fjg h THR 33 Ca 0.04 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1fjg h THR 33 Cb -0.00 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.41 1fjg h THR 33 CO -0.01 0.13 -0.25 0.25 0.37 0.00 0.00 175.52 176.01 1fjg h LEU 34 N 0.69 -0.66 -0.32 2.58 6.46 -0.50 -1.79 115.31 121.77 1fjg h LEU 34 Ca 0.47 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 58.35 1fjg h LEU 34 Cb 0.64 0.21 -0.08 0.00 -0.73 0.00 0.00 40.66 40.70 1fjg h LEU 34 CO -0.35 -0.35 -0.24 0.03 -0.62 0.00 0.00 178.44 176.91 1fjg h ARG 35 N -0.54 -0.21 -1.02 1.25 3.08 -0.84 0.01 114.38 116.11 1fjg h ARG 35 Ca -0.04 0.01 0.29 0.00 0.07 0.00 0.00 59.98 60.32 1fjg h ARG 35 Cb 0.45 0.05 -0.13 0.00 0.08 0.00 0.00 29.97 30.41 1fjg h ARG 35 CO 0.00 -0.14 0.60 0.82 -1.07 0.00 0.00 179.97 180.19 1fjg h ILE 36 N -0.21 0.40 -0.09 2.04 2.04 -0.46 0.11 117.51 121.32 1fjg h ILE 36 Ca 0.16 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.79 1fjg h ILE 36 Cb 0.46 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1fjg h ILE 36 CO -0.44 0.08 -0.29 0.78 0.00 0.00 0.00 178.15 178.28 1fjg h ASN 37 N 0.42 0.42 -0.23 1.72 -0.26 -0.12 0.29 115.58 117.82 1fjg h ASN 37 Ca 0.69 -0.61 0.04 0.00 -0.56 0.00 0.00 56.30 55.86 1fjg h ASN 37 Cb 1.54 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 38.64 1fjg h ASN 37 CO -0.52 0.95 0.02 0.03 -1.06 0.00 0.00 177.43 176.85 1fjg h ARG 38 N -0.09 0.09 0.01 0.81 2.47 -0.25 -0.24 114.38 117.18 1fjg h ARG 38 Ca -0.01 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1fjg h ARG 38 Cb 0.91 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.21 1fjg h ARG 38 CO 0.06 0.06 -0.00 1.25 0.56 0.00 0.00 179.97 181.90 1fjg h LEU 39 N 0.10 -0.01 -1.61 3.04 6.46 -0.87 0.64 115.31 123.05 1fjg h LEU 39 Ca 0.11 -0.22 0.10 0.00 -0.12 0.00 0.00 57.88 57.75 1fjg h LEU 39 Cb 0.12 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.02 1fjg h LEU 39 CO -0.17 0.21 0.42 0.28 -0.62 0.00 0.00 178.44 178.57 1fjg h SER 40 N -0.23 0.40 0.60 1.25 0.02 -0.28 -0.85 113.55 114.45 1fjg h SER 40 Ca -0.00 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1fjg h SER 40 Cb 0.23 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.70 1fjg h SER 40 CO 0.00 0.24 -0.29 -0.08 -1.14 0.00 0.00 176.83 175.56 1fjg h GLU 41 N 0.44 -0.77 -0.57 3.45 4.57 -0.58 -2.99 114.58 118.13 1fjg h GLU 41 Ca 0.29 0.05 0.16 0.00 -1.18 0.00 0.00 59.36 58.68 1fjg h GLU 41 Cb 0.54 0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 1fjg h GLU 41 CO -0.08 -0.47 0.68 1.25 -1.18 0.00 0.00 179.01 179.20 1fjg h HIS 42 N -1.14 0.00 -0.00 0.92 2.76 -0.03 0.50 115.15 118.17 1fjg h HIS 42 Ca -0.08 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 1fjg h HIS 42 Cb 0.65 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.61 1fjg h HIS 42 CO 0.00 0.00 -0.46 1.28 -1.30 0.00 0.00 177.93 177.45 1fjg n LEU 43 N -3.50 0.76 -0.11 0.26 4.77 -0.41 -3.59 117.00 115.19 1fjg n LEU 43 Ca 0.11 -0.15 -0.11 0.00 -0.03 0.00 0.00 56.01 55.83 1fjg n LEU 43 Cb 0.88 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.76 1fjg n LEU 43 CO 0.25 0.16 0.75 0.11 -1.33 0.00 0.00 177.39 177.33 1fjg h LYS 44 N 0.46 0.59 -6.46 3.23 1.57 0.16 -3.29 116.57 112.83 1fjg h LYS 44 Ca 0.00 -0.21 -0.50 0.00 -1.87 0.00 0.00 60.65 58.08 1fjg h LYS 44 Cb 0.51 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1fjg h LYS 44 CO 0.00 0.75 -0.20 0.08 -0.57 0.00 0.00 179.45 179.51 1fjg s VAL 45 N -4.89 5.10 -0.69 0.50 1.01 -1.22 -4.33 120.40 115.87 1fjg s VAL 45 Ca -0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 1fjg s VAL 45 Cb 0.09 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1fjg s VAL 45 CO 0.78 -0.42 0.59 1.41 0.00 0.00 0.00 175.10 177.46 1fjg n HIS 46 N -1.34 -1.42 0.30 5.22 8.25 -1.26 -4.75 115.22 120.22 1fjg n HIS 46 Ca -0.04 0.52 0.15 0.00 -0.26 0.00 0.00 57.72 58.10 1fjg n HIS 46 Cb 0.55 -3.22 0.76 0.00 1.12 0.00 0.00 29.99 29.21 1fjg n HIS 46 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1fjg h LYS 47 N -1.31 0.00 -0.22 -0.41 1.79 -1.75 -1.07 116.57 113.60 1fjg h LYS 47 Ca -0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1fjg h LYS 47 Cb 1.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1fjg h LYS 47 CO 0.28 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.28 1fjg n LYS 48 N -2.99 2.23 -1.92 3.15 5.02 -1.26 -4.67 118.16 117.71 1fjg n LYS 48 Ca -0.00 -1.84 -0.42 0.00 -2.02 0.00 0.00 58.31 54.03 1fjg n LYS 48 Cb 0.45 -1.47 -0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1fjg n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1fjg n ASP 49 N 1.11 4.10 0.10 4.39 -0.08 -0.41 -4.70 116.55 121.06 1fjg n ASP 49 Ca 0.17 -2.86 0.01 0.00 -1.51 0.00 0.00 54.79 50.61 1fjg n ASP 49 Cb 0.53 -1.68 0.34 0.00 2.34 0.00 0.00 41.12 42.65 1fjg n ASP 49 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 1fjg h HIS 50 N 6.40 0.30 -0.46 -0.67 3.86 -1.87 -2.80 115.15 119.91 1fjg h HIS 50 Ca 0.54 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.71 1fjg h HIS 50 Cb 0.70 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.06 1fjg h HIS 50 CO 1.45 0.45 0.28 0.45 0.86 0.00 0.00 177.93 181.42 1fjg h HIS 51 N 0.26 0.60 -0.25 2.45 3.86 -2.00 -1.78 115.15 118.29 1fjg h HIS 51 Ca 0.05 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.19 1fjg h HIS 51 Cb 0.47 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 1fjg h HIS 51 CO 0.01 0.41 -0.12 0.77 0.86 0.00 0.00 177.93 179.86 1fjg h SER 52 N 0.61 0.39 -0.39 2.45 0.02 -1.92 -2.48 113.55 112.22 1fjg h SER 52 Ca 0.16 -0.09 0.08 0.00 -0.84 0.00 0.00 61.79 61.10 1fjg h SER 52 Cb -0.01 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1fjg h SER 52 CO -0.03 0.55 0.27 -0.74 -1.14 0.00 0.00 176.83 175.74 1fjg h HIS 53 N 0.38 0.19 -0.13 3.45 2.76 -1.07 0.52 115.15 121.25 1fjg h HIS 53 Ca 0.07 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.15 1fjg h HIS 53 Cb 0.45 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 1fjg h HIS 53 CO 0.01 0.10 -0.36 -0.09 -1.30 0.00 0.00 177.93 176.29 1fjg h ARG 54 N 0.18 0.27 0.49 5.26 2.43 -1.18 -1.13 114.38 120.70 1fjg h ARG 54 Ca 0.18 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1fjg h ARG 54 Cb 0.48 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1fjg h ARG 54 CO -0.03 0.60 -0.24 0.78 -1.51 0.00 0.00 179.97 179.57 1fjg h GLY 55 N 1.14 -0.70 0.08 2.80 0.00 -0.02 -1.96 103.07 104.41 1fjg h GLY 55 Ca 0.03 0.26 0.16 0.00 0.00 0.00 0.00 47.33 47.78 1fjg h GLY 55 CO 0.06 -0.25 0.36 -2.00 0.00 0.00 0.00 176.54 174.71 1fjg h LEU 56 N -0.67 0.36 -1.41 3.11 5.85 -1.03 -0.11 115.31 121.41 1fjg h LEU 56 Ca -0.07 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1fjg h LEU 56 Cb 0.52 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1fjg h LEU 56 CO 0.10 0.11 0.11 -0.07 -0.34 0.00 0.00 178.44 178.36 1fjg h LEU 57 N 0.49 0.46 0.04 2.25 4.07 -0.81 -0.30 115.31 121.49 1fjg h LEU 57 Ca 0.47 -0.05 -0.24 0.00 0.08 0.00 0.00 57.88 58.13 1fjg h LEU 57 Cb 0.74 -0.12 0.02 0.00 1.08 0.00 0.00 40.66 42.39 1fjg h LEU 57 CO -0.42 0.44 -0.98 0.24 -1.08 0.00 0.00 178.44 176.64 1fjg h MET 58 N 0.50 0.60 -0.10 1.13 2.86 -0.33 -2.71 114.93 116.88 1fjg h MET 58 Ca 0.12 -0.69 0.01 0.00 -2.06 0.00 0.00 59.70 57.08 1fjg h MET 58 Cb 0.15 0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1fjg h MET 58 CO -0.01 1.29 0.04 0.52 1.06 0.00 0.00 176.91 179.81 1fjg h MET 59 N 0.21 0.10 -0.59 1.72 2.86 -0.67 -0.22 114.93 118.34 1fjg h MET 59 Ca -0.13 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1fjg h MET 59 Cb 1.66 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 33.26 1fjg h MET 59 CO 0.19 0.06 0.36 0.28 1.06 0.00 0.00 176.91 178.87 1fjg h VAL 60 N 0.10 1.08 0.12 -2.22 2.07 -1.15 -0.91 116.25 115.35 1fjg h VAL 60 Ca 0.04 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1fjg h VAL 60 Cb 0.01 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1fjg h VAL 60 CO -0.03 0.13 -0.14 1.23 0.02 0.00 0.00 177.57 178.77 1fjg h GLY 61 N 0.72 -0.29 0.58 2.17 0.00 -1.10 0.75 103.07 105.90 1fjg h GLY 61 Ca 0.23 0.17 0.10 0.00 0.00 0.00 0.00 47.33 47.83 1fjg h GLY 61 CO -0.09 -0.14 0.63 -1.61 0.00 0.00 0.00 176.54 175.32 1fjg h GLN 62 N -0.31 0.98 -0.09 4.80 5.75 -0.76 -0.42 115.11 125.06 1fjg h GLN 62 Ca 0.01 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1fjg h GLN 62 Cb 0.30 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 28.63 1fjg h GLN 62 CO -0.05 0.65 0.01 -0.09 -2.65 0.00 0.00 178.83 176.70 1fjg h ARG 63 N 1.01 0.16 -0.62 1.69 2.43 -0.42 -1.46 114.38 117.16 1fjg h ARG 63 Ca 0.47 -0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.71 1fjg h ARG 63 Cb 0.41 -0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.85 1fjg h ARG 63 CO -0.23 0.38 0.12 -0.09 -1.51 0.00 0.00 179.97 178.64 1fjg h ARG 64 N -0.09 0.23 -0.03 0.20 2.43 0.29 -0.69 114.38 116.72 1fjg h ARG 64 Ca 0.03 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1fjg h ARG 64 Cb 0.30 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1fjg h ARG 64 CO 0.00 0.15 0.02 0.00 -1.51 0.00 0.00 179.97 178.63 1fjg h ARG 65 N 0.24 0.04 -0.10 0.20 3.08 -0.90 0.72 114.38 117.65 1fjg h ARG 65 Ca 0.33 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.42 1fjg h ARG 65 Cb 0.51 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.50 1fjg h ARG 65 CO -0.44 0.07 -0.23 -0.07 -1.07 0.00 0.00 179.97 178.23 1fjg h LEU 66 N -0.01 -0.72 -0.22 3.04 3.38 -0.27 -1.43 115.31 119.09 1fjg h LEU 66 Ca 0.01 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1fjg h LEU 66 Cb 0.05 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1fjg h LEU 66 CO -0.00 -0.29 0.06 -0.07 0.09 0.00 0.00 178.44 178.23 1fjg h LEU 67 N -0.31 0.05 -0.81 1.67 3.38 -1.03 0.95 115.31 119.21 1fjg h LEU 67 Ca 0.09 0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.29 1fjg h LEU 67 Cb 0.45 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.10 1fjg h LEU 67 CO -0.28 0.06 0.17 -0.09 0.09 0.00 0.00 178.44 178.38 1fjg h ARG 68 N 0.15 0.20 -0.32 1.13 2.43 -0.32 0.37 114.38 118.02 1fjg h ARG 68 Ca 0.10 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 1fjg h ARG 68 Cb 0.08 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1fjg h ARG 68 CO -0.11 0.13 -0.17 -0.92 -1.51 0.00 0.00 179.97 177.39 1fjg h TYR 69 N 0.21 0.79 0.65 2.20 3.20 -0.52 -1.83 116.97 121.67 1fjg h TYR 69 Ca 0.48 -0.20 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 1fjg h TYR 69 Cb 0.89 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 1fjg h TYR 69 CO -0.30 0.91 -0.46 1.25 -1.64 0.00 0.00 178.16 177.91 1fjg h LEU 70 N 0.45 -1.20 -0.69 2.82 7.12 0.17 0.45 115.31 124.43 1fjg h LEU 70 Ca 0.07 0.08 0.12 0.00 0.13 0.00 0.00 57.88 58.28 1fjg h LEU 70 Cb 0.71 0.37 -0.08 0.00 -0.53 0.00 0.00 40.66 41.12 1fjg h LEU 70 CO 0.05 -0.68 0.27 -0.61 -0.13 0.00 0.00 178.44 177.34 1fjg h GLN 71 N -1.07 0.43 -0.42 1.25 4.15 -0.42 0.18 115.11 119.21 1fjg h GLN 71 Ca -0.08 -0.03 0.08 0.00 0.77 0.00 0.00 58.65 59.39 1fjg h GLN 71 Cb 0.88 -0.10 -0.07 0.00 0.21 0.00 0.00 27.48 28.41 1fjg h GLN 71 CO 0.04 0.28 0.01 -0.09 -1.93 0.00 0.00 178.83 177.14 1fjg h ARG 72 N 0.44 0.11 0.00 1.69 2.43 -0.88 -3.01 114.38 115.16 1fjg h ARG 72 Ca 0.36 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1fjg h ARG 72 Cb 0.50 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1fjg h ARG 72 CO -0.36 0.07 0.00 0.39 -1.51 0.00 0.00 179.97 178.57 1fjg n GLU 73 N -5.19 0.00 -3.50 0.20 -0.58 0.11 -4.70 120.64 106.98 1fjg n GLU 73 Ca 0.03 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.35 1fjg n GLU 73 Cb 0.22 -0.45 -0.06 0.00 -0.57 0.00 0.00 31.44 30.57 1fjg n GLU 73 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1fjg s ASP 74 N -1.42 6.03 0.52 1.62 -1.08 -0.27 -4.92 116.67 117.15 1fjg s ASP 74 Ca 0.00 -2.57 0.28 0.00 -0.52 0.00 0.00 52.55 49.74 1fjg s ASP 74 Cb 0.00 -2.05 1.53 0.00 -1.46 0.00 0.00 42.92 40.94 1fjg s ASP 74 CO 0.00 -0.54 1.84 1.55 0.52 0.00 0.00 175.17 178.54 1fjg h PRO 75 N 7.69 0.00 0.00 4.34 0.13 -1.69 -1.73 132.00 140.74 1fjg h PRO 75 Ca -0.01 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1fjg h PRO 75 Cb 1.02 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 1fjg h PRO 75 CO 0.77 0.00 -0.02 1.49 -0.23 0.00 0.00 178.00 180.02 1fjg h GLU 76 N 0.00 0.00 -0.90 0.86 4.57 -1.91 -2.73 114.58 114.46 1fjg h GLU 76 Ca 0.00 0.00 0.25 0.00 -1.18 0.00 0.00 59.36 58.43 1fjg h GLU 76 Cb 0.36 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.90 1fjg h GLU 76 CO 0.00 0.59 0.63 0.00 -1.18 0.00 0.00 179.01 179.05 1fjg h ARG 77 N -1.00 0.11 0.00 1.92 3.08 -1.73 -1.12 114.38 115.64 1fjg h ARG 77 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1fjg h ARG 77 Cb 0.59 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1fjg h ARG 77 CO -0.00 0.07 0.00 0.98 -1.07 0.00 0.00 179.97 179.95 1fjg n TYR 78 N -4.35 0.00 -0.39 3.04 9.36 -0.73 -0.93 117.16 123.17 1fjg n TYR 78 Ca 0.19 0.00 0.33 0.00 3.32 0.00 0.00 57.90 61.74 1fjg n TYR 78 Cb 0.89 -0.34 0.60 0.00 -0.63 0.00 0.00 39.34 39.87 1fjg n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1fjg h ARG 79 N 0.00 0.11 0.36 2.98 3.08 -1.07 0.22 114.38 120.06 1fjg h ARG 79 Ca 0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1fjg h ARG 79 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1fjg h ARG 79 CO 0.00 0.07 -0.17 0.00 -1.07 0.00 0.00 179.97 178.80 1fjg h ALA 80 N 1.74 -0.48 -0.16 0.04 0.00 -1.09 -2.77 119.26 116.54 1fjg h ALA 80 Ca 0.81 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.61 1fjg h ALA 80 Cb 2.32 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 20.23 1fjg h ALA 80 CO -0.53 -0.68 -0.30 1.25 0.00 0.00 0.00 179.25 178.99 1fjg h LEU 81 N -0.65 -0.93 0.14 0.00 6.46 0.13 -0.06 115.31 120.40 1fjg h LEU 81 Ca -0.05 0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1fjg h LEU 81 Cb 0.47 0.40 -0.01 0.00 -0.73 0.00 0.00 40.66 40.79 1fjg h LEU 81 CO 0.08 -0.34 -0.21 0.40 -0.62 0.00 0.00 178.44 177.76 1fjg h ILE 82 N -0.36 0.00 -0.78 4.05 2.04 -1.51 0.39 117.51 121.34 1fjg h ILE 82 Ca 0.11 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.04 1fjg h ILE 82 Cb 0.52 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.50 1fjg h ILE 82 CO -0.36 0.00 -0.50 -0.08 0.00 0.00 0.00 178.15 177.21 1fjg h GLU 83 N -0.36 -0.05 -0.47 2.37 4.22 -1.36 0.33 114.58 119.26 1fjg h GLU 83 Ca -0.02 0.00 0.09 0.00 0.08 0.00 0.00 59.36 59.52 1fjg h GLU 83 Cb 0.33 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.49 1fjg h GLU 83 CO -0.06 -0.03 -0.25 -0.22 -2.18 0.00 0.00 179.01 176.27 1fjg h LYS 84 N -0.05 -0.14 0.00 1.92 3.64 -0.79 -3.35 116.57 117.81 1fjg h LYS 84 Ca 0.13 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1fjg h LYS 84 Cb 0.37 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1fjg h LYS 84 CO -0.76 -0.09 0.00 1.28 -2.27 0.00 0.00 179.45 177.61 1fjg n LEU 85 N -5.41 0.00 0.00 5.20 4.77 0.14 -5.02 117.00 116.68 1fjg n LEU 85 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1fjg n LEU 85 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1fjg n LEU 85 CO 0.07 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 1fjg n GLY 86 N 2.10 0.00 2.78 -0.72 0.00 0.55 -5.03 105.19 104.88 1fjg n GLY 86 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1fjg n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fjg n ILE 87 N 0.00 0.00 -0.98 -0.61 5.41 -1.25 -3.51 119.36 118.42 1fjg n ILE 87 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1fjg n ILE 87 Cb 0.00 -0.79 0.00 0.00 -0.71 0.00 0.00 39.64 38.14 1fjg n ILE 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1fjg n ARG 88 N -4.58 -1.62 0.00 0.38 1.74 -1.26 -4.86 116.66 106.46 1fjg n ARG 88 Ca 0.11 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 1fjg n ARG 88 Cb 0.48 -4.66 0.00 0.00 -1.02 0.00 0.00 32.46 27.25 1fjg n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52