#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fi6 s LYS 7 N 0.00 0.31 0.03 -0.99 1.02 -1.26 -5.18 119.74 113.68 1fi6 s LYS 7 Ca 0.00 0.55 0.00 0.00 0.02 0.00 0.00 55.97 56.54 1fi6 s LYS 7 Cb 0.00 0.09 -0.04 0.00 -0.52 0.00 0.00 37.83 37.36 1fi6 s LYS 7 CO 0.00 -0.07 0.13 0.42 -0.92 0.00 0.00 175.35 174.92 1fi6 s ILE 8 N 1.39 4.99 -0.14 2.17 1.01 -1.26 -5.11 121.20 124.26 1fi6 s ILE 8 Ca -0.08 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.12 1fi6 s ILE 8 Cb -0.04 -3.37 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 1fi6 s ILE 8 CO -0.14 0.23 -0.16 -0.89 0.00 0.00 0.00 174.94 173.98 1fi6 s THR 9 N -1.36 2.74 0.53 2.92 2.01 -1.26 -4.99 115.64 116.23 1fi6 s THR 9 Ca 0.29 -0.76 0.35 0.00 0.31 0.00 0.00 61.69 61.87 1fi6 s THR 9 Cb -0.12 -2.14 0.53 0.00 0.01 0.00 0.00 72.50 70.78 1fi6 s THR 9 CO 0.21 0.52 1.82 -0.78 -0.69 0.00 0.00 174.62 175.70 1fi6 h ASP 10 N 6.97 0.02 -0.88 3.53 1.82 -1.99 0.60 116.42 126.49 1fi6 h ASP 10 Ca -0.28 0.00 0.12 0.00 -0.39 0.00 0.00 57.03 56.49 1fi6 h ASP 10 Cb 1.21 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 41.13 1fi6 h ASP 10 CO 0.55 0.00 0.50 -0.33 -1.61 0.00 0.00 179.24 178.35 1fi6 h GLU 11 N 0.02 0.75 -0.04 0.28 5.08 -2.00 -1.79 114.58 116.89 1fi6 h GLU 11 Ca 0.54 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.77 1fi6 h GLU 11 Cb 2.14 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 31.22 1fi6 h GLU 11 CO -0.02 0.50 -0.34 1.96 -1.00 0.00 0.00 179.01 180.11 1fi6 h GLN 12 N 0.77 0.29 -0.84 2.33 4.20 -0.24 -1.94 115.11 119.69 1fi6 h GLN 12 Ca 0.45 -0.27 0.13 0.00 0.06 0.00 0.00 58.65 59.02 1fi6 h GLN 12 Cb 0.52 0.06 -0.14 0.00 0.30 0.00 0.00 27.48 28.23 1fi6 h GLN 12 CO -0.30 0.94 -0.41 -0.09 -0.67 0.00 0.00 178.83 178.30 1fi6 h ARG 13 N -0.26 -0.07 -0.08 1.46 2.43 -0.67 0.29 114.38 117.48 1fi6 h ARG 13 Ca -0.03 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 1fi6 h ARG 13 Cb 1.03 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.60 1fi6 h ARG 13 CO 0.07 -0.05 -0.40 0.37 -1.51 0.00 0.00 179.97 178.45 1fi6 h GLN 14 N -0.08 0.41 -0.93 0.20 -0.00 -1.51 -1.89 115.11 111.32 1fi6 h GLN 14 Ca 0.27 -0.34 0.26 0.00 -0.00 0.00 0.00 58.65 58.85 1fi6 h GLN 14 Cb 0.56 0.07 -0.14 0.00 0.00 0.00 0.00 27.48 27.97 1fi6 h GLN 14 CO -0.86 0.98 0.36 -0.92 0.00 0.00 0.00 178.83 178.38 1fi6 h TYR 15 N -0.06 0.57 -0.01 3.99 3.20 -0.31 0.63 116.97 124.99 1fi6 h TYR 15 Ca -0.03 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1fi6 h TYR 15 Cb 1.05 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.22 1fi6 h TYR 15 CO 0.13 -0.19 -0.06 1.88 -1.64 0.00 0.00 178.16 178.28 1fi6 h TYR 16 N 0.27 0.09 -0.61 -3.82 0.05 -0.47 -3.20 116.97 109.27 1fi6 h TYR 16 Ca 0.62 -0.04 0.15 0.00 0.05 0.00 0.00 58.73 59.51 1fi6 h TYR 16 Cb 1.30 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 39.00 1fi6 h TYR 16 CO -0.17 0.74 0.42 0.28 -1.05 0.00 0.00 178.16 178.38 1fi6 h VAL 17 N -0.59 0.76 -0.90 -2.88 2.07 -0.02 0.15 116.25 114.84 1fi6 h VAL 17 Ca -0.00 -0.05 0.24 0.00 0.82 0.00 0.00 66.70 67.70 1fi6 h VAL 17 Cb 0.74 0.59 -0.16 0.00 -1.52 0.00 0.00 31.29 30.95 1fi6 h VAL 17 CO 0.01 0.03 0.10 0.78 0.02 0.00 0.00 177.57 178.52 1fi6 h ASN 18 N 0.16 -0.28 0.00 0.57 2.35 0.16 1.14 115.58 119.68 1fi6 h ASN 18 Ca 0.29 0.23 -0.42 0.00 -0.55 0.00 0.00 56.30 55.85 1fi6 h ASN 18 Cb 0.93 0.38 -0.06 0.00 0.05 0.00 0.00 38.32 39.62 1fi6 h ASN 18 CO -0.04 -0.26 -2.36 0.00 -1.65 0.00 0.00 177.43 173.12 1fi6 n GLN 19 N -5.37 0.60 0.25 0.81 6.02 -0.63 -4.36 117.38 114.70 1fi6 n GLN 19 Ca 0.21 0.28 0.17 0.00 -0.01 0.00 0.00 57.00 57.65 1fi6 n GLN 19 Cb 0.69 -1.54 0.89 0.00 1.02 0.00 0.00 30.24 31.30 1fi6 n GLN 19 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 1fi6 h PHE 20 N -0.81 0.00 -0.57 1.08 -1.00 -0.80 -1.01 116.94 113.84 1fi6 h PHE 20 Ca -0.63 0.00 0.16 0.00 2.81 0.00 0.00 57.97 60.31 1fi6 h PHE 20 Cb 1.64 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 41.17 1fi6 h PHE 20 CO -0.04 0.00 0.65 1.57 -1.61 0.00 0.00 178.31 178.88 1fi6 h LYS 21 N 0.00 0.00 -0.69 1.51 5.09 0.12 0.64 116.57 123.24 1fi6 h LYS 21 Ca 0.05 0.00 0.20 0.00 0.09 0.00 0.00 60.65 60.99 1fi6 h LYS 21 Cb 0.31 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.61 1fi6 h LYS 21 CO -0.00 0.00 0.60 1.15 -2.09 0.00 0.00 179.45 179.11 1fi6 h THR 22 N 0.00 0.42 0.00 0.07 2.02 -1.41 -2.81 112.91 111.20 1fi6 h THR 22 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.45 1fi6 h THR 22 Cb 1.56 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1fi6 h THR 22 CO -0.00 0.00 -0.76 -0.38 0.37 0.00 0.00 175.52 174.75 1fi6 n ILE 23 N -3.92 0.00 -3.42 3.11 5.41 0.18 -4.91 119.36 115.81 1fi6 n ILE 23 Ca 0.14 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.57 1fi6 n ILE 23 Cb 0.86 -0.43 -0.06 0.00 -0.71 0.00 0.00 39.64 39.30 1fi6 n ILE 23 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1fi6 n GLN 24 N -2.29 2.86 -0.19 0.38 -0.06 0.14 -4.55 117.38 113.67 1fi6 n GLN 24 Ca 0.00 -4.61 -0.06 0.00 -2.00 0.00 0.00 57.00 50.33 1fi6 n GLN 24 Cb 0.38 -2.33 0.04 0.00 -4.06 0.00 0.00 30.24 24.27 1fi6 n GLN 24 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 1fi6 h PRO 25 N 4.77 0.68 -3.66 3.69 0.13 -1.71 -3.33 132.00 132.58 1fi6 h PRO 25 Ca 0.19 -0.04 -0.18 0.00 -0.87 0.00 0.00 66.00 65.10 1fi6 h PRO 25 Cb 0.68 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 31.61 1fi6 h PRO 25 CO 0.93 0.45 0.01 0.34 -0.23 0.00 0.00 178.00 179.50 1fi6 s ASP 26 N -5.65 0.58 0.42 1.44 2.15 -1.26 -4.90 116.67 109.46 1fi6 s ASP 26 Ca -0.13 -1.37 0.12 0.00 0.43 0.00 0.00 52.55 51.60 1fi6 s ASP 26 Cb 0.13 0.75 0.65 0.00 -0.30 0.00 0.00 42.92 44.16 1fi6 s ASP 26 CO 0.75 -1.48 1.26 -0.07 -0.17 0.00 0.00 175.17 175.45 1fi6 h LEU 27 N 2.05 0.00 -3.77 -1.34 4.07 -1.96 0.76 115.31 115.12 1fi6 h LEU 27 Ca -0.30 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.13 1fi6 h LEU 27 Cb 1.24 0.00 -0.23 0.00 1.08 0.00 0.00 40.66 42.76 1fi6 h LEU 27 CO 0.40 0.00 0.68 -3.20 -1.08 0.00 0.00 178.44 175.24 1fi6 n ASN 28 N -2.19 7.11 -3.83 -0.43 2.85 -1.26 -4.65 115.26 112.86 1fi6 n ASN 28 Ca -0.01 -3.48 -0.13 0.00 -0.11 0.00 0.00 54.58 50.86 1fi6 n ASN 28 Cb 0.50 -1.01 -0.14 0.00 1.24 0.00 0.00 39.78 40.37 1fi6 n ASN 28 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1fi6 s GLY 29 N -0.97 -0.01 -0.02 8.20 0.00 0.26 -4.96 107.32 109.83 1fi6 s GLY 29 Ca 0.50 0.22 0.05 0.00 0.00 0.00 0.00 44.72 45.49 1fi6 s GLY 29 CO -0.01 0.32 -0.16 -1.36 0.00 0.00 0.00 173.10 171.89 1fi6 s PHE 30 N 0.35 1.46 -0.24 1.90 0.40 -1.26 -3.23 117.98 117.36 1fi6 s PHE 30 Ca -0.03 -0.30 -0.03 0.00 -0.60 0.00 0.00 56.93 55.97 1fi6 s PHE 30 Cb -0.04 -0.95 0.01 0.00 0.51 0.00 0.00 43.02 42.55 1fi6 s PHE 30 CO -0.01 -0.04 -0.04 0.42 0.70 0.00 0.00 175.22 176.25 1fi6 s ILE 31 N -0.32 3.26 0.69 0.64 1.01 0.18 -4.86 121.20 121.80 1fi6 s ILE 31 Ca 0.05 -0.70 -0.14 0.00 0.00 0.00 0.00 60.65 59.86 1fi6 s ILE 31 Cb -0.07 -2.56 0.02 0.00 0.01 0.00 0.00 42.46 39.86 1fi6 s ILE 31 CO -0.00 0.31 1.11 -2.16 0.00 0.00 0.00 174.94 174.20 1fi6 s PRO 32 N 1.43 2.60 0.40 2.79 0.04 -1.26 0.12 135.00 141.12 1fi6 s PRO 32 Ca 0.04 1.38 0.22 0.00 0.04 0.00 0.00 61.00 62.67 1fi6 s PRO 32 Cb -0.15 -1.93 1.21 0.00 0.04 0.00 0.00 34.50 33.67 1fi6 s PRO 32 CO -0.03 -1.41 1.71 0.78 0.04 0.00 0.00 177.00 178.09 1fi6 h GLY 33 N -0.27 1.36 0.81 0.56 0.00 -1.87 0.52 103.07 104.18 1fi6 h GLY 33 Ca -0.46 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 46.66 1fi6 h GLY 33 CO 0.53 -0.27 -0.44 1.48 0.00 0.00 0.00 176.54 177.83 1fi6 h SER 34 N 0.28 -1.13 -0.47 0.19 4.64 -1.89 0.62 113.55 115.78 1fi6 h SER 34 Ca 0.69 0.07 0.09 0.00 -0.47 0.00 0.00 61.79 62.16 1fi6 h SER 34 Cb 1.88 0.33 -0.07 0.00 -0.31 0.00 0.00 62.40 64.23 1fi6 h SER 34 CO -0.38 -0.68 0.04 0.00 -0.87 0.00 0.00 176.83 174.94 1fi6 h ALA 35 N -0.91 0.48 -0.82 5.18 0.00 -1.28 0.15 119.26 122.06 1fi6 h ALA 35 Ca -0.09 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1fi6 h ALA 35 Cb 0.88 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1fi6 h ALA 35 CO 0.08 -0.36 0.54 0.00 0.00 0.00 0.00 179.25 179.52 1fi6 h ALA 36 N 1.40 1.05 0.26 0.00 0.00 -1.04 0.79 119.26 121.72 1fi6 h ALA 36 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1fi6 h ALA 36 Cb 0.34 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1fi6 h ALA 36 CO -0.36 0.43 -0.26 0.87 0.00 0.00 0.00 179.25 179.94 1fi6 h LYS 37 N 1.10 -0.52 -0.03 0.00 6.56 0.24 0.19 116.57 124.11 1fi6 h LYS 37 Ca 0.31 0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 59.93 1fi6 h LYS 37 Cb -0.10 0.12 -0.00 0.00 -0.57 0.00 0.00 32.23 31.68 1fi6 h LYS 37 CO -0.07 -0.35 0.01 0.93 -2.06 0.00 0.00 179.45 177.91 1fi6 h GLU 38 N -0.54 0.04 -0.07 3.15 5.08 -0.54 0.32 114.58 122.02 1fi6 h GLU 38 Ca -0.01 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1fi6 h GLU 38 Cb 0.50 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 1fi6 h GLU 38 CO -0.05 0.15 -0.17 0.35 -1.00 0.00 0.00 179.01 178.29 1fi6 h PHE 39 N -0.08 -0.43 0.00 4.33 3.04 -0.73 -1.87 116.94 121.19 1fi6 h PHE 39 Ca 0.01 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.93 1fi6 h PHE 39 Cb 0.13 0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.83 1fi6 h PHE 39 CO -0.03 -0.24 -0.24 0.74 -2.02 0.00 0.00 178.31 176.51 1fi6 h PHE 40 N -0.24 0.00 -0.94 0.41 0.04 -0.55 -3.26 116.94 112.40 1fi6 h PHE 40 Ca 0.07 0.00 0.26 0.00 2.80 0.00 0.00 57.97 61.10 1fi6 h PHE 40 Cb 0.35 0.00 -0.17 0.00 2.20 0.00 0.00 35.95 38.32 1fi6 h PHE 40 CO -0.25 0.24 0.06 1.15 -0.60 0.00 0.00 178.31 178.92 1fi6 h THR 41 N 0.00 0.10 -1.52 -1.55 2.02 0.52 0.73 112.91 113.22 1fi6 h THR 41 Ca -0.00 -0.02 0.44 0.00 0.77 0.00 0.00 66.41 67.60 1fi6 h THR 41 Cb 0.69 0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 67.08 1fi6 h THR 41 CO 0.03 0.01 1.08 0.11 0.37 0.00 0.00 175.52 177.12 1fi6 h LYS 42 N 0.05 0.03 -0.69 6.66 1.79 -1.67 0.33 116.57 123.06 1fi6 h LYS 42 Ca 0.57 -0.00 0.19 0.00 -2.18 0.00 0.00 60.65 59.23 1fi6 h LYS 42 Cb 1.17 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.78 1fi6 h LYS 42 CO -0.85 0.02 0.49 0.66 -1.08 0.00 0.00 179.45 178.69 1fi6 h SER 43 N 0.03 0.09 -0.55 0.86 4.64 0.24 -3.44 113.55 115.41 1fi6 h SER 43 Ca 0.75 0.01 -0.24 0.00 -0.47 0.00 0.00 61.79 61.83 1fi6 h SER 43 Cb 2.88 -0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 64.86 1fi6 h SER 43 CO -0.07 0.04 -0.22 1.17 -0.87 0.00 0.00 176.83 176.89 1fi6 n LYS 44 N -4.37 -0.96 -2.83 4.77 0.00 0.12 -4.98 118.16 109.91 1fi6 n LYS 44 Ca 0.14 0.89 -0.31 0.00 0.00 0.00 0.00 58.31 59.02 1fi6 n LYS 44 Cb 0.70 -4.93 -0.04 0.00 0.00 0.00 0.00 35.03 30.76 1fi6 n LYS 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1fi6 s LEU 45 N -2.65 3.84 0.34 3.14 1.43 -1.26 -5.04 118.68 118.48 1fi6 s LEU 45 Ca 0.00 1.26 -0.28 0.00 -1.03 0.00 0.00 54.13 54.08 1fi6 s LEU 45 Cb 0.00 -4.14 -0.10 0.00 0.03 0.00 0.00 46.19 41.98 1fi6 s LEU 45 CO 0.00 -0.39 1.26 -2.16 0.23 0.00 0.00 176.35 175.29 1fi6 s PRO 46 N -3.69 4.31 0.46 1.29 0.04 -1.26 -4.79 135.00 131.36 1fi6 s PRO 46 Ca 0.54 2.11 0.29 0.00 0.04 0.00 0.00 61.00 63.98 1fi6 s PRO 46 Cb -0.10 -3.00 1.37 0.00 0.04 0.00 0.00 34.50 32.81 1fi6 s PRO 46 CO 0.28 -0.19 1.72 0.82 0.04 0.00 0.00 177.00 179.67 1fi6 h ILE 47 N 2.89 0.32 0.47 0.56 5.03 -1.97 -0.51 117.51 124.31 1fi6 h ILE 47 Ca -0.49 -0.06 -0.01 0.00 -0.12 0.00 0.00 64.86 64.19 1fi6 h ILE 47 Cb 1.23 0.15 -0.02 0.00 -3.03 0.00 0.00 36.82 35.14 1fi6 h ILE 47 CO 0.65 0.03 -0.51 0.25 -0.68 0.00 0.00 178.15 177.89 1fi6 h LEU 48 N 0.16 -1.40 0.07 1.44 5.85 -1.97 1.51 115.31 120.97 1fi6 h LEU 48 Ca 0.69 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 59.52 1fi6 h LEU 48 Cb 2.23 0.47 0.00 0.00 0.37 0.00 0.00 40.66 43.73 1fi6 h LEU 48 CO -0.24 -0.66 -0.04 -0.33 -0.34 0.00 0.00 178.44 176.84 1fi6 h GLU 49 N -0.99 -0.10 -0.93 1.25 5.08 -1.53 0.35 114.58 117.72 1fi6 h GLU 49 Ca -0.06 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.44 1fi6 h GLU 49 Cb 0.87 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.05 1fi6 h GLU 49 CO -0.08 0.13 0.55 -0.07 -1.00 0.00 0.00 179.01 178.53 1fi6 h LEU 50 N -0.31 0.76 0.22 1.33 3.38 -1.10 0.11 115.31 119.70 1fi6 h LEU 50 Ca -0.01 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1fi6 h LEU 50 Cb 0.27 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1fi6 h LEU 50 CO 0.02 0.38 -0.11 -1.28 0.09 0.00 0.00 178.44 177.54 1fi6 h SER 51 N 0.83 -0.25 -0.98 -0.43 0.87 0.24 -3.07 113.55 110.76 1fi6 h SER 51 Ca 0.48 -0.27 0.27 0.00 -1.23 0.00 0.00 61.79 61.03 1fi6 h SER 51 Cb 0.55 0.06 -0.13 0.00 -0.44 0.00 0.00 62.40 62.45 1fi6 h SER 51 CO -0.30 0.21 0.53 -0.74 -0.53 0.00 0.00 176.83 175.99 1fi6 h HIS 52 N -0.79 0.88 -0.15 2.24 -0.00 0.24 0.49 115.15 118.05 1fi6 h HIS 52 Ca -0.03 0.04 0.04 0.00 -0.00 0.00 0.00 60.37 60.42 1fi6 h HIS 52 Cb 0.51 -0.23 -0.04 0.00 -0.00 0.00 0.00 27.41 27.64 1fi6 h HIS 52 CO 0.06 -0.06 -0.12 0.82 -0.00 0.00 0.00 177.93 178.63 1fi6 h ILE 53 N 0.44 0.66 0.05 6.26 1.08 -0.70 -2.23 117.51 123.06 1fi6 h ILE 53 Ca 0.65 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 65.15 1fi6 h ILE 53 Cb 1.34 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 35.71 1fi6 h ILE 53 CO -0.54 0.00 -0.27 -0.25 -0.69 0.00 0.00 178.15 176.40 1fi6 h TRP 54 N -0.13 -0.71 -0.66 1.37 2.91 -0.82 0.42 115.95 118.33 1fi6 h TRP 54 Ca 0.10 0.02 0.11 0.00 1.13 0.00 0.00 58.89 60.24 1fi6 h TRP 54 Cb 0.27 0.31 -0.12 0.00 -0.51 0.00 0.00 29.16 29.11 1fi6 h TRP 54 CO -0.25 -0.36 -0.39 0.93 -1.03 0.00 0.00 178.44 177.34 1fi6 h GLU 55 N -0.43 -0.15 -0.34 2.65 4.39 -1.27 2.31 114.58 121.73 1fi6 h GLU 55 Ca 0.05 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.71 1fi6 h GLU 55 Cb 0.50 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1fi6 h GLU 55 CO -0.20 -0.10 -0.02 -0.07 -1.16 0.00 0.00 179.01 177.46 1fi6 h LEU 56 N -0.16 0.51 0.00 1.33 4.07 -0.91 -2.87 115.31 117.28 1fi6 h LEU 56 Ca 0.23 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1fi6 h LEU 56 Cb 0.56 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1fi6 h LEU 56 CO -0.74 0.59 -0.55 0.28 -1.08 0.00 0.00 178.44 176.94 1fi6 h SER 57 N 0.51 0.00 -2.00 -0.43 0.02 0.32 -3.37 113.55 108.60 1fi6 h SER 57 Ca 0.11 -0.02 -0.77 0.00 -0.84 0.00 0.00 61.79 60.27 1fi6 h SER 57 Cb 0.36 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.65 1fi6 h SER 57 CO 0.01 0.01 1.07 -0.67 -1.14 0.00 0.00 176.83 176.11 1fi6 n ASP 58 N -2.75 7.43 0.21 3.07 2.03 0.75 -4.72 116.55 122.57 1fi6 n ASP 58 Ca 0.02 -3.73 0.10 0.00 0.52 0.00 0.00 54.79 51.71 1fi6 n ASP 58 Cb 0.52 -1.12 0.32 0.00 -0.72 0.00 0.00 41.12 40.12 1fi6 n ASP 58 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1fi6 h PHE 59 N 3.47 0.00 0.00 -0.67 -1.00 -1.73 0.70 116.94 117.70 1fi6 h PHE 59 Ca 0.55 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 61.04 1fi6 h PHE 59 Cb 0.18 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.68 1fi6 h PHE 59 CO 1.27 0.00 -2.09 -0.40 -1.61 0.00 0.00 178.31 175.47 1fi6 n ASP 60 N -2.82 0.28 -2.67 2.17 5.68 -1.26 -5.01 116.55 112.91 1fi6 n ASP 60 Ca 0.05 0.13 -0.13 0.00 -0.50 0.00 0.00 54.79 54.34 1fi6 n ASP 60 Cb 0.94 0.80 0.06 0.00 -1.14 0.00 0.00 41.12 41.78 1fi6 n ASP 60 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1fi6 n LYS 61 N -2.77 -4.77 -0.07 0.11 0.00 0.24 -4.95 118.16 105.96 1fi6 n LYS 61 Ca -0.24 0.58 -0.08 0.00 0.00 0.00 0.00 58.31 58.57 1fi6 n LYS 61 Cb 1.04 -4.83 -0.15 0.00 0.00 0.00 0.00 35.03 31.09 1fi6 n LYS 61 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1fi6 n ASP 62 N -2.30 0.29 0.00 3.14 5.68 -1.26 -4.98 116.55 117.12 1fi6 n ASP 62 Ca -0.16 0.14 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 1fi6 n ASP 62 Cb 0.60 0.70 0.00 0.00 -1.14 0.00 0.00 41.12 41.28 1fi6 n ASP 62 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fi6 n GLY 63 N 1.66 1.02 2.94 6.12 0.00 -1.26 -5.08 105.19 110.59 1fi6 n GLY 63 Ca -0.26 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 1fi6 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fi6 s ALA 64 N -2.00 -0.19 -0.24 4.61 0.00 -1.26 -2.39 121.76 120.29 1fi6 s ALA 64 Ca 0.00 0.28 -0.11 0.00 0.00 0.00 0.00 51.96 52.13 1fi6 s ALA 64 Cb 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 1fi6 s ALA 64 CO 0.00 -0.06 0.19 -0.51 0.00 0.00 0.00 175.76 175.39 1fi6 s LEU 65 N 0.25 4.10 0.41 0.00 1.02 0.33 -4.82 118.68 119.97 1fi6 s LEU 65 Ca -0.02 0.14 -0.06 0.00 0.02 0.00 0.00 54.13 54.21 1fi6 s LEU 65 Cb -0.03 -2.16 -0.05 0.00 0.02 0.00 0.00 46.19 43.98 1fi6 s LEU 65 CO -0.01 0.03 0.71 0.42 0.02 0.00 0.00 176.35 177.52 1fi6 s THR 66 N 1.22 4.92 0.37 5.49 -4.23 -1.26 0.52 115.64 122.66 1fi6 s THR 66 Ca 0.09 0.20 0.19 0.00 -1.18 0.00 0.00 61.69 61.00 1fi6 s THR 66 Cb -0.14 -3.81 0.35 0.00 1.34 0.00 0.00 72.50 70.24 1fi6 s THR 66 CO 0.06 -0.64 1.61 0.25 -0.54 0.00 0.00 174.62 175.36 1fi6 h LEU 67 N 0.80 0.39 0.43 4.79 7.12 -1.81 0.75 115.31 127.78 1fi6 h LEU 67 Ca -0.47 0.23 -0.02 0.00 0.13 0.00 0.00 57.88 57.74 1fi6 h LEU 67 Cb 1.20 0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.54 1fi6 h LEU 67 CO 0.63 -0.31 -0.21 -0.78 -0.13 0.00 0.00 178.44 177.64 1fi6 h ASP 68 N 0.12 -0.49 -1.00 1.25 3.58 -1.92 0.41 116.42 118.38 1fi6 h ASP 68 Ca 0.81 -0.07 0.17 0.00 0.42 0.00 0.00 57.03 58.36 1fi6 h ASP 68 Cb 2.07 0.13 -0.10 0.00 1.72 0.00 0.00 39.33 43.15 1fi6 h ASP 68 CO -0.68 -0.22 0.62 -0.33 -2.88 0.00 0.00 179.24 175.74 1fi6 h GLU 69 N -0.75 0.79 0.55 0.28 5.08 -0.24 0.55 114.58 120.85 1fi6 h GLU 69 Ca -0.06 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1fi6 h GLU 69 Cb 0.53 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.60 1fi6 h GLU 69 CO 0.10 0.53 -0.26 0.35 -1.00 0.00 0.00 179.01 178.72 1fi6 h PHE 70 N 0.82 -0.68 -0.21 4.33 3.57 0.70 1.05 116.94 126.52 1fi6 h PHE 70 Ca 0.55 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 62.09 1fi6 h PHE 70 Cb 0.78 0.23 -0.07 0.00 2.79 0.00 0.00 35.95 39.68 1fi6 h PHE 70 CO -0.00 -0.42 -0.35 0.00 -2.23 0.00 0.00 178.31 175.31 1fi6 h ALA 72 N 0.44 0.88 0.48 0.00 0.00 -0.90 -2.58 119.26 117.57 1fi6 h ALA 72 Ca 0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1fi6 h ALA 72 Cb 0.56 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1fi6 h ALA 72 CO -0.42 0.66 -0.23 0.00 0.00 0.00 0.00 179.25 179.26 1fi6 h ALA 73 N 1.04 -0.65 -0.87 0.00 0.00 0.21 -2.03 119.26 116.96 1fi6 h ALA 73 Ca 0.17 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1fi6 h ALA 73 Cb 0.56 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1fi6 h ALA 73 CO 0.03 -0.82 0.54 0.35 0.00 0.00 0.00 179.25 179.35 1fi6 h PHE 74 N -0.74 0.99 0.05 0.00 3.57 -0.13 -1.82 116.94 118.86 1fi6 h PHE 74 Ca -0.07 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.49 1fi6 h PHE 74 Cb 0.54 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 1fi6 h PHE 74 CO -0.02 0.49 -0.26 1.25 -2.23 0.00 0.00 178.31 177.53 1fi6 h HIS 75 N 0.96 -0.69 -0.41 0.41 2.76 -1.31 -0.14 115.15 116.73 1fi6 h HIS 75 Ca 0.39 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.62 1fi6 h HIS 75 Cb 0.21 0.30 -0.04 0.00 1.55 0.00 0.00 27.41 29.43 1fi6 h HIS 75 CO -0.03 -0.35 0.17 1.25 -1.30 0.00 0.00 177.93 177.66 1fi6 h LEU 76 N -0.43 0.20 -0.40 0.26 6.46 -0.90 -2.35 115.31 118.15 1fi6 h LEU 76 Ca 0.05 0.04 0.06 0.00 -0.12 0.00 0.00 57.88 57.91 1fi6 h LEU 76 Cb 0.49 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.38 1fi6 h LEU 76 CO -0.19 0.15 0.09 0.58 -0.62 0.00 0.00 178.44 178.45 1fi6 h VAL 77 N 0.34 0.81 -0.79 1.05 2.07 -0.89 -2.68 116.25 116.15 1fi6 h VAL 77 Ca 0.19 -0.08 0.14 0.00 0.82 0.00 0.00 66.70 67.77 1fi6 h VAL 77 Cb 0.15 0.57 -0.14 0.00 -1.52 0.00 0.00 31.29 30.35 1fi6 h VAL 77 CO -0.17 0.04 -0.32 0.58 0.02 0.00 0.00 177.57 177.72 1fi6 h VAL 78 N 0.23 0.11 -0.52 2.57 2.07 -0.48 -0.97 116.25 119.26 1fi6 h VAL 78 Ca 0.19 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.81 1fi6 h VAL 78 Cb 0.22 0.11 -0.11 0.00 -1.52 0.00 0.00 31.29 29.99 1fi6 h VAL 78 CO -0.24 0.00 -0.29 0.00 0.02 0.00 0.00 177.57 177.06 1fi6 h ALA 79 N 1.36 -0.00 -0.95 1.67 0.00 -1.37 0.83 119.26 120.79 1fi6 h ALA 79 Ca 0.32 0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.51 1fi6 h ALA 79 Cb 0.58 0.69 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 1fi6 h ALA 79 CO -0.83 -0.64 0.58 -0.09 0.00 0.00 0.00 179.25 178.26 1fi6 h ARG 80 N -0.17 0.87 -1.00 0.00 9.65 -1.16 0.29 114.38 122.86 1fi6 h ARG 80 Ca 0.22 -0.05 0.26 0.00 -1.10 0.00 0.00 59.98 59.31 1fi6 h ARG 80 Cb 0.53 -0.20 -0.08 0.00 -1.39 0.00 0.00 29.97 28.84 1fi6 h ARG 80 CO -0.62 0.58 0.67 -0.22 2.80 0.00 0.00 179.97 183.18 1fi6 h LYS 81 N 0.90 0.31 -0.80 0.20 3.11 -0.43 -1.59 116.57 118.27 1fi6 h LYS 81 Ca 0.48 -0.02 -0.48 0.00 -2.81 0.00 0.00 60.65 57.82 1fi6 h LYS 81 Cb 0.52 -0.07 -0.42 0.00 -1.00 0.00 0.00 32.23 31.26 1fi6 h LYS 81 CO -0.28 0.20 -0.89 0.27 -2.81 0.00 0.00 179.45 175.94 1fi6 n ASN 82 N -4.51 4.07 0.00 4.20 6.94 0.00 -5.07 115.26 120.89 1fi6 n ASN 82 Ca 0.23 -3.35 0.00 0.00 -0.02 0.00 0.00 54.58 51.44 1fi6 n ASN 82 Cb 0.88 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.90 1fi6 n ASN 82 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1fi6 n GLY 83 N -0.63 0.77 1.88 4.83 0.00 -0.60 -5.01 105.19 106.43 1fi6 n GLY 83 Ca 0.34 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1fi6 n GLY 83 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1fi6 n TYR 84 N 0.00 0.00 -1.21 1.61 4.02 -1.22 -3.25 117.16 117.11 1fi6 n TYR 84 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.58 1fi6 n TYR 84 Cb 0.00 -0.90 0.10 0.00 -0.02 0.00 0.00 39.34 38.52 1fi6 n TYR 84 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1fi6 s ASP 85 N 0.00 4.22 0.13 7.72 2.15 -1.26 -4.00 116.67 125.63 1fi6 s ASP 85 Ca 0.00 1.79 -0.31 0.00 0.43 0.00 0.00 52.55 54.46 1fi6 s ASP 85 Cb 0.00 -2.46 -0.08 0.00 -0.30 0.00 0.00 42.92 40.08 1fi6 s ASP 85 CO 0.00 -2.21 1.35 -0.76 -0.17 0.00 0.00 175.17 173.37 1fi6 s LEU 86 N -6.02 4.38 0.00 -1.34 1.43 -1.26 -4.95 118.68 110.92 1fi6 s LEU 86 Ca 0.62 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 56.03 1fi6 s LEU 86 Cb -0.18 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1fi6 s LEU 86 CO 0.56 -0.60 0.00 -0.81 0.23 0.00 0.00 176.35 175.74 1fi6 n PRO 87 N 3.58 3.74 -3.57 1.29 -0.04 -1.26 -5.13 135.00 133.61 1fi6 n PRO 87 Ca 0.10 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.47 1fi6 n PRO 87 Cb 0.43 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.85 1fi6 n PRO 87 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1fi6 s GLU 88 N 0.00 0.57 0.00 0.54 -1.05 -1.26 -5.08 118.70 112.41 1fi6 s GLU 88 Ca 0.00 0.03 0.00 0.00 -0.15 0.00 0.00 54.97 54.85 1fi6 s GLU 88 Cb 0.00 0.26 0.00 0.00 -0.44 0.00 0.00 34.13 33.95 1fi6 s GLU 88 CO 0.00 -0.20 0.00 1.63 0.95 0.00 0.00 175.26 177.64 1fi6 n LYS 89 N 0.45 0.00 -1.67 -4.83 5.02 -1.26 -5.10 118.16 110.77 1fi6 n LYS 89 Ca -0.08 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.79 1fi6 n LYS 89 Cb 0.59 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.57 1fi6 n LYS 89 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1fi6 s LEU 90 N -3.48 4.28 -0.16 -0.35 2.96 -1.26 -4.94 118.68 115.73 1fi6 s LEU 90 Ca 0.00 2.55 -0.24 0.00 -0.22 0.00 0.00 54.13 56.22 1fi6 s LEU 90 Cb 0.00 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.14 1fi6 s LEU 90 CO 0.00 -1.19 0.75 -2.16 -1.32 0.00 0.00 176.35 172.43 1fi6 s PRO 91 N 4.74 4.29 0.00 0.98 0.04 -1.26 -4.90 135.00 138.89 1fi6 s PRO 91 Ca 0.90 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1fi6 s PRO 91 Cb -0.41 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.57 1fi6 s PRO 91 CO 0.40 -0.25 0.32 -0.85 0.04 0.00 0.00 177.00 176.66 1fi6 n GLU 92 N 4.99 0.00 -0.02 4.56 0.28 -1.26 0.33 120.64 129.52 1fi6 n GLU 92 Ca 0.02 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.07 1fi6 n GLU 92 Cb 0.49 -1.48 -0.15 0.00 1.43 0.00 0.00 31.44 31.74 1fi6 n GLU 92 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1fi6 n SER 93 N -0.82 0.14 -2.78 -1.84 7.64 -1.26 -4.63 113.62 110.07 1fi6 n SER 93 Ca 0.00 0.06 -0.11 0.00 1.01 0.00 0.00 58.87 59.83 1fi6 n SER 93 Cb 0.00 1.49 0.02 0.00 -1.01 0.00 0.00 64.21 64.71 1fi6 n SER 93 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1fi6 n LEU 94 N -2.46 1.10 -4.74 -3.43 4.77 0.15 -5.11 117.00 107.29 1fi6 n LEU 94 Ca -0.11 -3.99 -0.41 0.00 -0.03 0.00 0.00 56.01 51.47 1fi6 n LEU 94 Cb 0.73 0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 42.26 1fi6 n LEU 94 CO 0.45 1.75 0.85 -0.04 -1.33 0.00 0.00 177.39 179.06 1fi6 s MET 95 N -2.77 4.52 1.11 3.23 -1.94 -1.15 -4.73 119.30 117.57 1fi6 s MET 95 Ca 0.30 1.81 -0.19 0.00 -1.71 0.00 0.00 55.69 55.90 1fi6 s MET 95 Cb 0.43 -3.26 0.28 0.00 2.01 0.00 0.00 34.83 34.29 1fi6 s MET 95 CO 0.01 -0.04 0.80 -0.35 -0.01 0.00 0.00 175.02 175.43 1fi6 n PRO 96 N 2.53 -3.60 0.00 2.03 -0.04 -1.26 -5.14 135.00 129.53 1fi6 n PRO 96 Ca 0.04 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 1fi6 n PRO 96 Cb 0.45 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1fi6 n PRO 96 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09