#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bs7 s ALA 22 N 0.00 3.92 0.29 3.14 0.00 -1.26 -4.91 121.76 122.94 3bs7 s ALA 22 Ca 0.00 1.59 0.02 0.00 0.00 0.00 0.00 51.96 53.57 3bs7 s ALA 22 Cb 0.00 -3.69 0.59 0.00 0.00 0.00 0.00 23.12 20.02 3bs7 s ALA 22 CO 0.00 -0.93 1.84 0.28 0.00 0.00 0.00 175.76 176.95 3bs7 h VAL 23 N 3.75 0.92 -0.86 0.00 2.07 -1.98 -1.16 116.25 118.99 3bs7 h VAL 23 Ca -0.44 -0.33 0.25 0.00 0.82 0.00 0.00 66.70 67.00 3bs7 h VAL 23 Cb 1.20 -0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3bs7 h VAL 23 CO 0.94 0.18 0.62 0.22 0.02 0.00 0.00 177.57 179.54 3bs7 h TYR 24 N 0.96 0.05 -0.01 1.57 3.20 -1.91 -0.69 116.97 120.14 3bs7 h TYR 24 Ca 0.49 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.36 3bs7 h TYR 24 Cb 0.50 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.76 3bs7 h TYR 24 CO -0.00 0.01 -0.36 1.28 -1.64 0.00 0.00 178.16 177.45 3bs7 n LEU 25 N -4.30 1.69 -4.74 2.82 4.77 -0.45 -4.06 117.00 112.73 3bs7 n LEU 25 Ca 0.18 -0.58 -0.42 0.00 -0.03 0.00 0.00 56.01 55.16 3bs7 n LEU 25 Cb 0.91 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.93 3bs7 n LEU 25 CO 0.38 0.31 1.29 0.26 -1.33 0.00 0.00 177.39 178.30 3bs7 s TRP 26 N -2.45 2.82 0.96 -1.77 0.52 -0.26 -4.90 118.94 113.86 3bs7 s TRP 26 Ca 0.22 0.62 -0.15 0.00 0.02 0.00 0.00 56.10 56.80 3bs7 s TRP 26 Cb 0.19 -4.09 0.18 0.00 -1.15 0.00 0.00 33.47 28.60 3bs7 s TRP 26 CO 0.53 -3.84 1.25 0.95 0.02 0.00 0.00 176.95 175.86 3bs7 s THR 27 N 0.47 1.95 0.21 2.01 -4.23 -1.26 -1.02 115.64 113.76 3bs7 s THR 27 Ca 0.68 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 61.09 3bs7 s THR 27 Cb -0.48 -2.91 0.16 0.00 1.34 0.00 0.00 72.50 70.61 3bs7 s THR 27 CO 0.41 0.00 1.87 1.62 -0.54 0.00 0.00 174.62 177.98 3bs7 h VAL 28 N -1.65 1.14 -0.76 2.29 3.04 -1.93 -0.53 116.25 117.85 3bs7 h VAL 28 Ca -0.45 -0.33 0.07 0.00 -1.01 0.00 0.00 66.70 64.98 3bs7 h VAL 28 Cb 1.27 0.09 -0.06 0.00 -2.01 0.00 0.00 31.29 30.58 3bs7 h VAL 28 CO 0.45 0.18 0.44 0.28 -1.01 0.00 0.00 177.57 177.90 3bs7 h SER 29 N 0.97 0.64 -0.59 3.17 0.02 -1.94 0.26 113.55 116.08 3bs7 h SER 29 Ca 0.29 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.28 3bs7 h SER 29 Cb -0.04 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 3bs7 h SER 29 CO -0.09 0.40 0.39 0.44 -1.14 0.00 0.00 176.83 176.83 3bs7 h ASP 30 N 0.77 0.68 -0.16 3.07 3.32 -1.77 -1.14 116.42 121.19 3bs7 h ASP 30 Ca 0.35 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.39 3bs7 h ASP 30 Cb 0.25 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3bs7 h ASP 30 CO -0.21 0.50 0.07 0.58 -1.72 0.00 0.00 179.24 178.46 3bs7 h VAL 31 N 0.80 0.99 -0.71 -1.35 2.07 -0.16 -0.68 116.25 117.21 3bs7 h VAL 31 Ca 0.22 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.70 3bs7 h VAL 31 Cb -0.09 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3bs7 h VAL 31 CO -0.05 0.03 0.47 -0.07 0.02 0.00 0.00 177.57 177.98 3bs7 h LEU 32 N 0.16 0.79 -0.23 2.57 3.38 -0.29 0.15 115.31 121.85 3bs7 h LEU 32 Ca 0.06 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3bs7 h LEU 32 Cb 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3bs7 h LEU 32 CO -0.05 0.56 0.04 0.50 0.09 0.00 0.00 178.44 179.59 3bs7 h LYS 33 N 0.93 0.37 -0.46 1.13 3.64 -0.86 -1.11 116.57 120.22 3bs7 h LYS 33 Ca 0.27 -0.09 0.07 0.00 -1.27 0.00 0.00 60.65 59.62 3bs7 h LYS 33 Cb -0.05 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.67 3bs7 h LYS 33 CO -0.07 0.50 0.14 2.35 -2.27 0.00 0.00 179.45 180.10 3bs7 h TRP 34 N 0.18 0.24 -0.53 1.91 7.01 -0.77 -1.88 115.95 122.11 3bs7 h TRP 34 Ca 0.07 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 3bs7 h TRP 34 Cb 0.30 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.30 3bs7 h TRP 34 CO 0.02 0.07 0.31 -0.92 -2.79 0.00 0.00 178.44 175.12 3bs7 h TYR 35 N 0.30 0.71 -0.76 2.65 3.20 -0.47 -0.37 116.97 122.23 3bs7 h TYR 35 Ca 0.22 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 3bs7 h TYR 35 Cb 0.24 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 3bs7 h TYR 35 CO -0.18 0.51 0.40 0.00 -1.64 0.00 0.00 178.16 177.25 3bs7 h ARG 36 N 0.71 1.07 -0.23 1.82 3.08 -1.03 0.32 114.38 120.12 3bs7 h ARG 36 Ca 0.19 -0.13 -0.20 0.00 0.07 0.00 0.00 59.98 59.91 3bs7 h ARG 36 Cb 0.01 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.86 3bs7 h ARG 36 CO -0.03 0.80 -0.65 -0.09 -1.07 0.00 0.00 179.97 178.92 3bs7 h ARG 37 N 1.07 0.82 0.00 0.04 2.43 -0.86 -3.16 114.38 114.72 3bs7 h ARG 37 Ca 0.27 -0.58 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 3bs7 h ARG 37 Cb 0.05 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3bs7 h ARG 37 CO -0.04 1.21 -1.45 0.72 -1.51 0.00 0.00 179.97 178.90 3bs7 n HIS 38 N -3.97 0.00 -2.22 2.20 8.25 -0.19 -4.47 115.22 114.82 3bs7 n HIS 38 Ca -0.06 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.18 3bs7 n HIS 38 Cb 0.68 -0.25 0.02 0.00 1.12 0.00 0.00 29.99 31.56 3bs7 n HIS 38 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bs7 h GLY 40 N 2.34 0.00 -0.10 0.00 0.00 -1.59 -1.29 103.07 102.43 3bs7 h GLY 40 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3bs7 h GLY 40 CO 0.73 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.45 3bs7 n GLU 41 N -3.49 1.44 -1.42 4.80 -0.58 -1.26 -4.01 120.64 116.12 3bs7 n GLU 41 Ca -0.02 -0.64 -0.00 0.00 -0.42 0.00 0.00 57.16 56.08 3bs7 n GLU 41 Cb 0.24 -1.42 0.10 0.00 -0.57 0.00 0.00 31.44 29.78 3bs7 n GLU 41 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3bs7 n TYR 42 N -0.18 0.59 0.31 -0.32 4.01 -0.49 -4.85 117.16 116.24 3bs7 n TYR 42 Ca 0.18 -1.36 0.17 0.00 -0.16 0.00 0.00 57.90 56.73 3bs7 n TYR 42 Cb 0.25 -0.23 0.99 0.00 -0.31 0.00 0.00 39.34 40.04 3bs7 n TYR 42 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3bs7 h THR 43 N 3.80 0.38 -0.47 -0.72 1.03 -1.69 -2.38 112.91 112.86 3bs7 h THR 43 Ca -0.04 -0.03 0.14 0.00 -0.01 0.00 0.00 66.41 66.47 3bs7 h THR 43 Cb 1.42 1.02 -0.02 0.00 -1.07 0.00 0.00 68.15 69.50 3bs7 h THR 43 CO 0.17 0.01 0.45 0.06 -0.01 0.00 0.00 175.52 176.20 3bs7 h GLN 44 N 0.00 0.00 -0.02 0.00 3.07 -1.93 0.39 115.11 116.62 3bs7 h GLN 44 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3bs7 h GLN 44 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.58 3bs7 h GLN 44 CO 0.00 0.00 -0.17 0.66 0.09 0.00 0.00 178.83 179.42 3bs7 n TYR 45 N -3.86 0.00 -0.24 0.06 4.01 -0.89 -4.61 117.16 111.64 3bs7 n TYR 45 Ca 0.09 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.83 3bs7 n TYR 45 Cb 0.65 -0.02 0.23 0.00 -0.31 0.00 0.00 39.34 39.89 3bs7 n TYR 45 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3bs7 h GLU 46 N 2.92 1.02 0.00 -0.72 4.81 -1.06 -1.24 114.58 120.30 3bs7 h GLU 46 Ca 0.00 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3bs7 h GLU 46 Cb 0.73 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 3bs7 h GLU 46 CO 0.00 0.67 -0.05 0.37 -0.73 0.00 0.00 179.01 179.28 3bs7 h GLN 47 N 1.05 0.00 -0.85 1.92 5.75 -1.81 -2.31 115.11 118.86 3bs7 h GLN 47 Ca 0.29 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.84 3bs7 h GLN 47 Cb -0.10 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.40 3bs7 h GLN 47 CO -0.07 0.05 0.56 -0.07 -2.65 0.00 0.00 178.83 176.65 3bs7 h LEU 48 N 0.00 0.88 -1.07 -2.39 3.38 -1.56 0.60 115.31 115.16 3bs7 h LEU 48 Ca -0.00 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3bs7 h LEU 48 Cb 0.26 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3bs7 h LEU 48 CO 0.01 0.60 0.19 -0.26 0.09 0.00 0.00 178.44 179.06 3bs7 h PHE 49 N 1.02 0.87 -0.04 1.13 0.04 -1.54 0.04 116.94 118.47 3bs7 h PHE 49 Ca 0.35 -0.06 -0.06 0.00 2.80 0.00 0.00 57.97 60.99 3bs7 h PHE 49 Cb 0.09 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 37.98 3bs7 h PHE 49 CO -0.00 0.70 -0.22 0.00 -0.60 0.00 0.00 178.31 178.19 3bs7 h ALA 50 N 1.37 0.08 -0.29 2.45 0.00 -1.49 -0.70 119.26 120.67 3bs7 h ALA 50 Ca 0.19 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3bs7 h ALA 50 Cb 0.23 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3bs7 h ALA 50 CO -0.01 0.07 0.04 1.96 0.00 0.00 0.00 179.25 181.31 3bs7 h GLN 51 N -0.35 0.43 -0.38 0.00 4.20 -0.81 -0.97 115.11 117.23 3bs7 h GLN 51 Ca -0.02 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3bs7 h GLN 51 Cb 0.89 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.60 3bs7 h GLN 51 CO 0.05 0.42 0.00 0.72 -0.67 0.00 0.00 178.83 179.35 3bs7 n HIS 52 N -4.35 0.49 -3.60 2.96 8.25 -0.01 -4.97 115.22 114.00 3bs7 n HIS 52 Ca 0.01 -0.25 -0.21 0.00 -0.26 0.00 0.00 57.72 57.01 3bs7 n HIS 52 Cb 0.19 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.36 3bs7 n HIS 52 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3bs7 n ASP 53 N 0.93 -3.15 -4.55 0.41 2.03 -0.37 -4.89 116.55 106.96 3bs7 n ASP 53 Ca 0.17 -0.68 -0.41 0.00 0.52 0.00 0.00 54.79 54.40 3bs7 n ASP 53 Cb 0.45 -4.66 -0.03 0.00 -0.72 0.00 0.00 41.12 36.15 3bs7 n ASP 53 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3bs7 s ILE 54 N -3.42 3.70 0.81 5.18 -1.09 -0.30 -4.97 121.20 121.10 3bs7 s ILE 54 Ca 0.22 0.41 -0.10 0.00 -2.23 0.00 0.00 60.65 58.95 3bs7 s ILE 54 Cb -0.10 -4.86 0.12 0.00 -1.58 0.00 0.00 42.46 36.04 3bs7 s ILE 54 CO 0.76 -1.79 1.14 0.42 -1.23 0.00 0.00 174.94 174.24 3bs7 s THR 55 N 5.92 2.12 0.25 2.92 -4.23 -1.26 -4.23 115.64 117.12 3bs7 s THR 55 Ca 0.37 -0.19 -0.03 0.00 -1.18 0.00 0.00 61.69 60.66 3bs7 s THR 55 Cb -0.08 -2.93 0.22 0.00 1.34 0.00 0.00 72.50 71.05 3bs7 s THR 55 CO 0.16 0.00 1.80 1.23 -0.54 0.00 0.00 174.62 177.26 3bs7 h GLY 56 N -1.01 1.31 1.12 3.99 0.00 -1.24 0.58 103.07 107.83 3bs7 h GLY 56 Ca -0.43 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 46.55 3bs7 h GLY 56 CO 0.51 0.08 0.26 3.21 0.00 0.00 0.00 176.54 180.60 3bs7 h ARG 57 N 0.75 1.11 -0.31 4.80 3.08 -1.71 -1.88 114.38 120.22 3bs7 h ARG 57 Ca 0.42 -0.21 -0.13 0.00 0.07 0.00 0.00 59.98 60.13 3bs7 h ARG 57 Cb 0.44 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3bs7 h ARG 57 CO -0.28 0.92 -0.32 0.00 -1.07 0.00 0.00 179.97 179.22 3bs7 h ALA 58 N 1.21 0.85 -0.62 0.04 0.00 -1.72 -2.99 119.26 116.03 3bs7 h ALA 58 Ca 0.24 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3bs7 h ALA 58 Cb 0.25 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3bs7 h ALA 58 CO -0.02 0.64 0.41 1.25 0.00 0.00 0.00 179.25 181.53 3bs7 h LEU 59 N 0.57 0.72 -0.12 0.00 5.85 -0.30 0.13 115.31 122.16 3bs7 h LEU 59 Ca 0.06 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3bs7 h LEU 59 Cb 0.83 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3bs7 h LEU 59 CO 0.07 0.53 0.00 0.18 -0.34 0.00 0.00 178.44 178.88 3bs7 n LEU 60 N -4.44 0.24 -0.02 2.25 4.77 -0.76 -3.82 117.00 115.22 3bs7 n LEU 60 Ca 0.06 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 3bs7 n LEU 60 Cb 0.05 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.59 3bs7 n LEU 60 CO 0.36 -0.21 -0.67 0.54 -1.33 0.00 0.00 177.39 176.09 3bs7 n ARG 61 N -1.75 1.42 -1.32 3.23 1.74 -0.61 -5.05 116.66 114.33 3bs7 n ARG 61 Ca 0.05 -0.04 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 3bs7 n ARG 61 Cb 0.28 -1.20 0.11 0.00 -1.02 0.00 0.00 32.46 30.63 3bs7 n ARG 61 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3bs7 s ILE 62 N -2.39 2.14 0.36 0.55 -4.36 -0.07 -5.03 121.20 112.40 3bs7 s ILE 62 Ca -0.03 0.07 0.09 0.00 -0.26 0.00 0.00 60.65 60.51 3bs7 s ILE 62 Cb 0.04 -2.62 -0.06 0.00 1.25 0.00 0.00 42.46 41.07 3bs7 s ILE 62 CO 0.33 -0.04 -0.02 0.42 0.24 0.00 0.00 174.94 175.87 3bs7 s THR 63 N -1.98 2.34 0.24 8.37 -4.23 -1.26 -4.99 115.64 114.12 3bs7 s THR 63 Ca 0.75 -2.05 -0.04 0.00 -1.18 0.00 0.00 61.69 59.17 3bs7 s THR 63 Cb -0.30 -2.79 0.21 0.00 1.34 0.00 0.00 72.50 70.96 3bs7 s THR 63 CO 0.47 -0.15 1.76 -0.78 -0.54 0.00 0.00 174.62 175.38 3bs7 h ASP 64 N 1.86 0.42 -0.46 3.99 -0.00 -1.98 -1.18 116.42 119.06 3bs7 h ASP 64 Ca -0.43 0.09 -0.02 0.00 -0.00 0.00 0.00 57.03 56.67 3bs7 h ASP 64 Cb 1.25 0.03 -0.02 0.00 -0.00 0.00 0.00 39.33 40.58 3bs7 h ASP 64 CO 0.71 0.20 0.22 0.77 -0.00 0.00 0.00 179.24 181.14 3bs7 h SER 65 N 0.56 0.65 -0.55 2.28 4.64 -2.00 -2.17 113.55 116.96 3bs7 h SER 65 Ca 0.41 -0.07 0.05 0.00 -0.47 0.00 0.00 61.79 61.72 3bs7 h SER 65 Cb 0.55 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 62.43 3bs7 h SER 65 CO -0.35 0.57 0.27 0.28 -0.87 0.00 0.00 176.83 176.74 3bs7 h SER 66 N 0.72 0.38 -0.42 4.97 0.02 -1.62 -1.04 113.55 116.56 3bs7 h SER 66 Ca 0.18 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.20 3bs7 h SER 66 Cb 0.11 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 3bs7 h SER 66 CO -0.02 0.26 0.19 -0.07 -1.14 0.00 0.00 176.83 176.05 3bs7 h LEU 67 N 0.52 0.26 -1.01 5.07 3.38 -0.90 -0.74 115.31 121.88 3bs7 h LEU 67 Ca 0.25 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 3bs7 h LEU 67 Cb 0.17 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3bs7 h LEU 67 CO -0.18 0.19 0.29 -0.61 0.09 0.00 0.00 178.44 178.22 3bs7 h GLN 68 N 0.39 1.00 -0.09 1.13 4.15 -0.97 -1.88 115.11 118.83 3bs7 h GLN 68 Ca 0.18 -0.16 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 3bs7 h GLN 68 Cb 0.12 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 3bs7 h GLN 68 CO -0.15 0.80 -0.26 0.00 -1.93 0.00 0.00 178.83 177.30 3bs7 h ARG 69 N 0.98 0.16 0.00 1.69 3.08 -0.70 -2.15 114.38 117.45 3bs7 h ARG 69 Ca 0.23 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3bs7 h ARG 69 Cb 0.16 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3bs7 h ARG 69 CO -0.02 0.42 0.00 0.52 -1.07 0.00 0.00 179.97 179.81 3bs7 h MET 70 N 0.15 0.00 0.00 0.04 2.86 -0.77 -3.46 114.93 113.75 3bs7 h MET 70 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3bs7 h MET 70 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 3bs7 h MET 70 CO 0.04 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.42 3bs7 n GLY 71 N -0.03 1.46 3.43 8.32 0.00 -0.81 -5.02 105.19 112.54 3bs7 n GLY 71 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 3bs7 n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3bs7 n VAL 72 N -0.21 4.25 0.10 1.61 0.31 -0.74 -4.73 118.33 118.92 3bs7 n VAL 72 Ca 0.00 -4.68 0.04 0.00 -0.01 0.00 0.00 64.34 59.68 3bs7 n VAL 72 Cb 0.00 -2.45 -0.01 0.00 -0.91 0.00 0.00 33.84 30.47 3bs7 n VAL 72 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3bs7 h THR 73 N 4.61 0.54 -2.54 2.52 1.35 -1.84 -3.36 112.91 114.17 3bs7 h THR 73 Ca 0.33 -1.87 -0.54 0.00 -0.55 0.00 0.00 66.41 63.78 3bs7 h THR 73 Cb 0.85 2.11 -0.00 0.00 -1.73 0.00 0.00 68.15 69.39 3bs7 h THR 73 CO 1.28 0.31 1.13 -0.62 -0.25 0.00 0.00 175.52 177.36 3bs7 s ASP 74 N -6.03 6.60 0.09 5.36 2.15 -1.26 -4.91 116.67 118.67 3bs7 s ASP 74 Ca 0.01 2.34 -0.23 0.00 0.43 0.00 0.00 52.55 55.11 3bs7 s ASP 74 Cb 0.08 -2.53 -0.14 0.00 -0.30 0.00 0.00 42.92 40.03 3bs7 s ASP 74 CO 0.77 -0.97 1.74 0.78 -0.17 0.00 0.00 175.17 177.32 3bs7 h ASN 75 N 9.87 0.03 -0.72 -0.34 2.35 -1.99 -0.41 115.58 124.37 3bs7 h ASN 75 Ca -0.42 -0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.26 3bs7 h ASN 75 Cb 1.19 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.52 3bs7 h ASN 75 CO 0.95 0.03 0.19 0.03 -1.65 0.00 0.00 177.43 176.98 3bs7 h ARG 76 N 0.04 1.15 -0.23 0.81 3.08 -1.98 0.16 114.38 117.40 3bs7 h ARG 76 Ca 0.01 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 3bs7 h ARG 76 Cb -0.00 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3bs7 h ARG 76 CO -0.00 1.00 0.09 -0.44 -1.07 0.00 0.00 179.97 179.55 3bs7 h ASP 77 N 1.09 0.32 -0.71 7.04 3.32 -1.94 -2.25 116.42 123.28 3bs7 h ASP 77 Ca 0.23 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 3bs7 h ASP 77 Cb 0.35 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 3bs7 h ASP 77 CO -0.00 0.39 0.33 -0.09 -1.72 0.00 0.00 179.24 178.15 3bs7 h ARG 78 N 0.23 1.04 -0.74 3.56 2.43 -0.67 -1.51 114.38 118.72 3bs7 h ARG 78 Ca 0.08 -0.16 0.09 0.00 -0.81 0.00 0.00 59.98 59.17 3bs7 h ARG 78 Cb 0.17 -0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 29.47 3bs7 h ARG 78 CO -0.01 0.83 0.39 1.49 -1.51 0.00 0.00 179.97 181.17 3bs7 h GLU 79 N 1.01 0.65 -0.36 0.20 4.22 -0.61 0.61 114.58 120.30 3bs7 h GLU 79 Ca 0.24 -0.04 -0.11 0.00 0.08 0.00 0.00 59.36 59.53 3bs7 h GLU 79 Cb 0.14 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3bs7 h GLU 79 CO -0.03 0.43 -0.21 0.00 -2.18 0.00 0.00 179.01 177.02 3bs7 h ALA 80 N 1.43 0.51 -0.21 2.92 0.00 -0.78 -0.89 119.26 122.24 3bs7 h ALA 80 Ca 0.36 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3bs7 h ALA 80 Cb 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3bs7 h ALA 80 CO -0.25 0.47 -0.08 0.82 0.00 0.00 0.00 179.25 180.21 3bs7 h ILE 81 N 0.57 1.30 -0.63 0.00 2.04 -1.06 -2.80 117.51 116.93 3bs7 h ILE 81 Ca 0.08 -1.11 0.11 0.00 1.00 0.00 0.00 64.86 64.93 3bs7 h ILE 81 Cb 0.77 1.60 -0.08 0.00 -0.74 0.00 0.00 36.82 38.36 3bs7 h ILE 81 CO 0.06 0.34 0.20 -0.25 0.00 0.00 0.00 178.15 178.50 3bs7 h TRP 82 N 0.13 0.34 -0.72 1.37 2.91 -0.81 -1.76 115.95 117.41 3bs7 h TRP 82 Ca 0.05 0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.11 3bs7 h TRP 82 Cb 0.55 -0.06 -0.04 0.00 -0.51 0.00 0.00 29.16 29.11 3bs7 h TRP 82 CO 0.06 0.04 0.48 0.00 -1.03 0.00 0.00 178.44 177.99 3bs7 h ARG 83 N 0.36 0.95 -0.47 2.65 3.08 -1.03 -0.50 114.38 119.41 3bs7 h ARG 83 Ca 0.33 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.25 3bs7 h ARG 83 Cb 0.45 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3bs7 h ARG 83 CO -0.36 0.63 0.00 0.93 -1.07 0.00 0.00 179.97 180.10 3bs7 h GLU 84 N 0.98 0.78 -0.31 0.04 4.39 -1.08 0.75 114.58 120.12 3bs7 h GLU 84 Ca 0.26 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 3bs7 h GLU 84 Cb -0.11 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 3bs7 h GLU 84 CO -0.06 0.78 0.06 0.82 -1.16 0.00 0.00 179.01 179.45 3bs7 h ILE 85 N 0.73 1.23 -0.59 3.13 2.04 -0.75 -1.08 117.51 122.22 3bs7 h ILE 85 Ca 0.14 -0.79 -0.07 0.00 1.00 0.00 0.00 64.86 65.14 3bs7 h ILE 85 Cb 0.44 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3bs7 h ILE 85 CO 0.02 0.26 0.10 0.58 0.00 0.00 0.00 178.15 179.11 3bs7 h VAL 86 N 0.34 1.26 -0.47 1.67 2.07 -0.89 -0.27 116.25 119.96 3bs7 h VAL 86 Ca 0.10 -0.99 0.05 0.00 0.82 0.00 0.00 66.70 66.68 3bs7 h VAL 86 Cb 0.33 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 3bs7 h VAL 86 CO 0.00 0.36 0.20 0.50 0.02 0.00 0.00 177.57 178.66 3bs7 h LYS 87 N 0.88 0.38 -0.57 1.57 3.64 -0.65 0.13 116.57 121.95 3bs7 h LYS 87 Ca 0.18 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 3bs7 h LYS 87 Cb 0.42 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 3bs7 h LYS 87 CO 0.01 0.25 0.24 0.37 -2.27 0.00 0.00 179.45 178.05 3bs7 h GLN 88 N 0.39 0.85 -1.00 1.90 5.75 -0.79 -1.09 115.11 121.12 3bs7 h GLN 88 Ca 0.22 -0.15 0.03 0.00 -0.15 0.00 0.00 58.65 58.60 3bs7 h GLN 88 Cb 0.19 -0.14 -0.06 0.00 1.07 0.00 0.00 27.48 28.54 3bs7 h GLN 88 CO -0.19 0.72 0.66 0.00 -2.65 0.00 0.00 178.83 177.36 3bs7 h ARG 89 N 0.78 1.25 -0.51 1.69 3.08 -0.22 -1.28 114.38 119.17 3bs7 h ARG 89 Ca 0.19 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3bs7 h ARG 89 Cb 0.19 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3bs7 h ARG 89 CO -0.02 0.83 0.27 -0.07 -1.07 0.00 0.00 179.97 179.91 3bs7 h LEU 90 N 1.29 0.65 -0.43 3.04 3.38 -0.33 0.13 115.31 123.04 3bs7 h LEU 90 Ca 0.39 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.29 3bs7 h LEU 90 Cb -0.03 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3bs7 h LEU 90 CO -0.12 0.57 0.21 0.50 0.09 0.00 0.00 178.44 179.70 3bs7 h LYS 91 N 0.68 0.42 -0.37 1.13 3.64 -0.78 -0.77 116.57 120.51 3bs7 h LYS 91 Ca 0.18 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3bs7 h LYS 91 Cb 0.08 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3bs7 h LYS 91 CO -0.03 0.28 0.24 1.15 -2.27 0.00 0.00 179.45 178.82 3bs7 h THR 92 N 0.43 1.08 -0.59 1.00 2.02 -0.96 -2.97 112.91 112.92 3bs7 h THR 92 Ca 0.19 -0.17 -0.11 0.00 0.77 0.00 0.00 66.41 67.10 3bs7 h THR 92 Cb 0.10 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 3bs7 h THR 92 CO -0.13 0.09 -0.05 0.44 0.37 0.00 0.00 175.52 176.24 3bs7 h ASP 93 N 0.49 1.06 0.26 4.18 3.32 -0.22 -2.67 116.42 122.83 3bs7 h ASP 93 Ca 0.14 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 3bs7 h ASP 93 Cb -0.04 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.22 3bs7 h ASP 93 CO -0.04 1.13 -0.15 0.40 -1.72 0.00 0.00 179.24 178.86 3bs7 h ILE 94 N 0.96 0.83 0.00 0.35 5.03 -1.14 -3.51 117.51 120.03 3bs7 h ILE 94 Ca 0.16 -0.56 0.00 0.00 -0.12 0.00 0.00 64.86 64.34 3bs7 h ILE 94 Cb 0.62 1.33 0.00 0.00 -3.03 0.00 0.00 36.82 35.73 3bs7 h ILE 94 CO 0.04 0.14 0.00 0.23 -0.68 0.00 0.00 178.15 177.88