#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 3.28 -0.08 -0.99 2.47 -1.26 -4.95 119.74 118.21 1fi6 s LYS 7 Ca 0.00 2.03 -0.21 0.00 -1.56 0.00 0.00 55.97 56.23 1fi6 s LYS 7 Cb 0.00 -4.32 -0.04 0.00 -1.46 0.00 0.00 37.83 32.01 1fi6 s LYS 7 CO 0.00 -1.93 0.60 0.42 0.16 0.00 0.00 175.35 174.60 1fi6 s ILE 8 N 7.64 5.10 -0.02 5.43 1.01 -1.26 -5.05 121.20 134.06 1fi6 s ILE 8 Ca 0.96 1.22 -0.28 0.00 0.00 0.00 0.00 60.65 62.55 1fi6 s ILE 8 Cb -0.33 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 1fi6 s ILE 8 CO 0.36 0.29 0.89 -0.89 0.00 0.00 0.00 174.94 175.59 1fi6 s THR 9 N 0.66 4.91 0.31 2.92 2.01 -1.26 -4.90 115.64 120.29 1fi6 s THR 9 Ca 0.32 1.86 0.06 0.00 0.31 0.00 0.00 61.69 64.25 1fi6 s THR 9 Cb -0.17 -4.23 0.32 0.00 0.01 0.00 0.00 72.50 68.43 1fi6 s THR 9 CO 0.15 0.20 1.65 0.44 -0.69 0.00 0.00 174.62 176.37 1fi6 h ASP 10 N 6.72 0.17 -0.48 3.53 3.32 -1.97 0.40 116.42 128.11 1fi6 h ASP 10 Ca -0.41 0.20 0.10 0.00 0.02 0.00 0.00 57.03 56.93 1fi6 h ASP 10 Cb 1.21 0.22 -0.09 0.00 0.22 0.00 0.00 39.33 40.89 1fi6 h ASP 10 CO 0.75 -0.15 -0.14 -0.33 -1.72 0.00 0.00 179.24 177.65 1fi6 h GLU 11 N 0.25 -0.02 -0.42 3.56 5.08 -1.99 0.64 114.58 121.69 1fi6 h GLU 11 Ca 0.62 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.85 1fi6 h GLU 11 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1fi6 h GLU 11 CO -0.64 -0.01 -0.24 1.96 -1.00 0.00 0.00 179.01 179.08 1fi6 h GLN 12 N -0.02 0.85 -0.33 2.33 4.20 -0.79 0.68 115.11 122.03 1fi6 h GLN 12 Ca 0.23 -0.36 0.07 0.00 0.06 0.00 0.00 58.65 58.65 1fi6 h GLN 12 Cb 0.37 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.06 1fi6 h GLN 12 CO -0.51 1.00 -0.09 -0.09 -0.67 0.00 0.00 178.83 178.47 1fi6 h ARG 13 N 0.73 -0.01 -0.18 1.46 1.12 0.25 0.12 114.38 117.88 1fi6 h ARG 13 Ca 0.10 0.00 -0.20 0.00 -1.11 0.00 0.00 59.98 58.76 1fi6 h ARG 13 Cb 0.77 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.74 1fi6 h ARG 13 CO 0.06 -0.01 -0.70 -0.56 -3.11 0.00 0.00 179.97 175.66 1fi6 h GLN 14 N -0.01 0.73 -0.35 0.20 3.07 0.34 -2.91 115.11 116.18 1fi6 h GLN 14 Ca 0.16 -0.55 0.07 0.00 0.09 0.00 0.00 58.65 58.42 1fi6 h GLN 14 Cb 0.25 0.10 -0.09 0.00 0.08 0.00 0.00 27.48 27.83 1fi6 h GLN 14 CO -0.34 1.17 -0.30 -0.92 0.09 0.00 0.00 178.83 178.53 1fi6 h TYR 15 N 0.52 -0.81 -0.22 0.06 5.03 0.15 -0.14 116.97 121.56 1fi6 h TYR 15 Ca -0.03 0.05 -0.08 0.00 2.58 0.00 0.00 58.73 61.26 1fi6 h TYR 15 Cb 1.31 0.41 -0.00 0.00 1.55 0.00 0.00 36.73 39.99 1fi6 h TYR 15 CO 0.07 -0.36 -0.17 0.10 -1.32 0.00 0.00 178.16 176.48 1fi6 h TYR 16 N -0.25 0.59 -0.16 -3.82 -0.00 -1.09 -3.29 116.97 108.95 1fi6 h TYR 16 Ca 0.16 -0.16 0.05 0.00 0.00 0.00 0.00 58.73 58.78 1fi6 h TYR 16 Cb 0.52 -0.13 -0.06 0.00 0.00 0.00 0.00 36.73 37.06 1fi6 h TYR 16 CO -0.49 0.82 -0.23 0.28 -0.00 0.00 0.00 178.16 178.54 1fi6 h VAL 17 N 0.20 0.44 -0.87 -0.90 2.07 -1.23 0.26 116.25 116.22 1fi6 h VAL 17 Ca 0.04 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.81 1fi6 h VAL 17 Cb 0.69 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1fi6 h VAL 17 CO 0.04 0.00 0.65 0.78 0.02 0.00 0.00 177.57 179.06 1fi6 h ASN 18 N -0.27 0.00 0.00 0.57 2.35 -1.10 0.67 115.58 117.80 1fi6 h ASN 18 Ca 0.11 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.70 1fi6 h ASN 18 Cb 0.44 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 1fi6 h ASN 18 CO -0.32 0.00 -1.26 0.00 -1.65 0.00 0.00 177.43 174.21 1fi6 n GLN 19 N -4.19 0.53 0.24 0.81 1.13 -0.49 -4.47 117.38 110.94 1fi6 n GLN 19 Ca 0.18 0.41 0.11 0.00 -1.94 0.00 0.00 57.00 55.75 1fi6 n GLN 19 Cb 0.96 -1.60 0.58 0.00 0.11 0.00 0.00 30.24 30.29 1fi6 n GLN 19 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 1fi6 h PHE 20 N -1.00 0.00 -1.08 1.08 -1.00 -0.40 -3.14 116.94 111.40 1fi6 h PHE 20 Ca -0.24 0.00 0.42 0.00 2.81 0.00 0.00 57.97 60.96 1fi6 h PHE 20 Cb 1.06 0.00 -0.17 0.00 3.61 0.00 0.00 35.95 40.46 1fi6 h PHE 20 CO -0.17 0.19 0.61 1.57 -1.61 0.00 0.00 178.31 178.91 1fi6 h LYS 21 N 0.00 0.04 -1.01 1.51 5.09 0.27 1.50 116.57 123.98 1fi6 h LYS 21 Ca -0.00 -0.00 0.27 0.00 0.09 0.00 0.00 60.65 61.00 1fi6 h LYS 21 Cb 0.56 -0.01 -0.13 0.00 0.10 0.00 0.00 32.23 32.75 1fi6 h LYS 21 CO 0.02 0.03 0.59 1.15 -2.09 0.00 0.00 179.45 179.16 1fi6 h THR 22 N 0.04 0.47 0.00 0.07 2.02 -1.78 -2.50 112.91 111.23 1fi6 h THR 22 Ca 0.84 -0.17 -0.30 0.00 0.77 0.00 0.00 66.41 67.55 1fi6 h THR 22 Cb 2.29 -0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 68.58 1fi6 h THR 22 CO -0.69 0.09 -2.02 -0.38 0.37 0.00 0.00 175.52 172.89 1fi6 n ILE 23 N -4.92 1.01 -3.80 3.11 5.41 0.44 -4.86 119.36 115.75 1fi6 n ILE 23 Ca 0.28 -0.28 -0.28 0.00 1.00 0.00 0.00 62.75 63.48 1fi6 n ILE 23 Cb 0.82 -1.65 -0.12 0.00 -0.71 0.00 0.00 39.64 37.98 1fi6 n ILE 23 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1fi6 s GLN 24 N -2.34 2.18 0.09 0.38 0.74 0.27 -4.65 119.66 116.33 1fi6 s GLN 24 Ca -0.25 -3.13 -0.17 0.00 0.05 0.00 0.00 55.36 51.86 1fi6 s GLN 24 Cb 0.09 -3.04 -0.08 0.00 1.10 0.00 0.00 33.01 31.08 1fi6 s GLN 24 CO 0.33 -1.31 1.45 -1.00 -0.55 0.00 0.00 175.29 174.21 1fi6 h PRO 25 N 5.42 0.59 0.00 1.67 0.13 -1.61 -3.30 132.00 134.91 1fi6 h PRO 25 Ca 0.17 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1fi6 h PRO 25 Cb 0.78 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1fi6 h PRO 25 CO 0.65 0.84 0.00 -3.47 -0.23 0.00 0.00 178.00 175.79 1fi6 n ASP 26 N -4.42 0.00 0.00 1.44 2.03 -1.26 -4.85 116.55 109.49 1fi6 n ASP 26 Ca -0.04 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.38 1fi6 n ASP 26 Cb 0.38 0.00 0.48 0.00 -0.72 0.00 0.00 41.12 41.25 1fi6 n ASP 26 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1fi6 n LEU 27 N 0.00 0.00 -2.29 -2.67 4.32 -1.26 -3.41 117.00 111.69 1fi6 n LEU 27 Ca 0.00 0.49 -0.31 0.00 -0.02 0.00 0.00 56.01 56.17 1fi6 n LEU 27 Cb 0.00 -0.49 0.06 0.00 -1.62 0.00 0.00 43.42 41.37 1fi6 n LEU 27 CO 0.00 -0.12 1.42 -3.20 -1.22 0.00 0.00 177.39 174.27 1fi6 n ASN 28 N -1.49 7.34 -3.92 -1.43 5.15 -1.26 -4.78 115.26 114.87 1fi6 n ASN 28 Ca 0.06 -3.59 -0.10 0.00 -0.60 0.00 0.00 54.58 50.34 1fi6 n ASN 28 Cb 0.26 -1.02 -0.11 0.00 -0.53 0.00 0.00 39.78 38.37 1fi6 n ASN 28 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1fi6 s GLY 29 N -1.17 0.11 -0.00 8.20 0.00 -1.22 -4.96 107.32 108.29 1fi6 s GLY 29 Ca 0.55 -0.27 -0.03 0.00 0.00 0.00 0.00 44.72 44.97 1fi6 s GLY 29 CO -0.06 -0.34 0.05 -1.36 0.00 0.00 0.00 173.10 171.39 1fi6 s PHE 30 N -1.03 0.08 -0.09 1.90 0.40 -1.26 -3.25 117.98 114.73 1fi6 s PHE 30 Ca -0.11 -0.17 0.01 0.00 -0.60 0.00 0.00 56.93 56.05 1fi6 s PHE 30 Cb -0.07 -0.08 0.02 0.00 0.51 0.00 0.00 43.02 43.41 1fi6 s PHE 30 CO -0.00 -0.17 -0.10 0.42 0.70 0.00 0.00 175.22 176.07 1fi6 s ILE 31 N -0.95 1.05 0.36 0.64 1.01 0.33 -4.93 121.20 118.71 1fi6 s ILE 31 Ca -0.10 -0.37 -0.26 0.00 0.00 0.00 0.00 60.65 59.92 1fi6 s ILE 31 Cb -0.06 -1.02 -0.09 0.00 0.01 0.00 0.00 42.46 41.30 1fi6 s ILE 31 CO 0.00 0.35 1.09 -2.16 0.00 0.00 0.00 174.94 174.22 1fi6 s PRO 32 N 1.19 4.31 0.57 2.79 0.04 -1.26 0.23 135.00 142.86 1fi6 s PRO 32 Ca -0.05 1.67 0.36 0.00 0.04 0.00 0.00 61.00 63.02 1fi6 s PRO 32 Cb -0.14 -2.79 1.46 0.00 0.04 0.00 0.00 34.50 33.06 1fi6 s PRO 32 CO -0.02 -0.05 1.69 0.78 0.04 0.00 0.00 177.00 179.44 1fi6 h GLY 33 N 2.99 0.00 0.83 0.56 0.00 -1.97 0.48 103.07 105.96 1fi6 h GLY 33 Ca -0.48 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.87 1fi6 h GLY 33 CO 0.64 0.00 0.08 0.23 0.00 0.00 0.00 176.54 177.49 1fi6 h SER 34 N 0.00 0.10 -0.09 0.19 0.87 -1.94 0.56 113.55 113.24 1fi6 h SER 34 Ca 0.55 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 61.09 1fi6 h SER 34 Cb 2.43 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 64.40 1fi6 h SER 34 CO -0.01 0.09 -0.10 0.00 -0.53 0.00 0.00 176.83 176.28 1fi6 h ALA 35 N 1.14 0.13 0.43 6.23 0.00 -0.43 -2.17 119.26 124.57 1fi6 h ALA 35 Ca 0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1fi6 h ALA 35 Cb 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1fi6 h ALA 35 CO -0.09 -0.03 -0.29 0.00 0.00 0.00 0.00 179.25 178.84 1fi6 h ALA 36 N 0.55 -0.70 -0.44 0.00 0.00 -1.15 0.72 119.26 118.24 1fi6 h ALA 36 Ca 0.01 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1fi6 h ALA 36 Cb 0.63 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1fi6 h ALA 36 CO 0.02 -0.91 0.20 -0.22 0.00 0.00 0.00 179.25 178.34 1fi6 h LYS 37 N -0.70 0.39 -0.57 0.00 3.64 0.03 0.51 116.57 119.87 1fi6 h LYS 37 Ca -0.04 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1fi6 h LYS 37 Cb 0.59 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 1fi6 h LYS 37 CO 0.02 0.26 0.30 0.93 -2.27 0.00 0.00 179.45 178.69 1fi6 h GLU 38 N 0.40 0.81 0.44 1.90 5.08 -1.18 -1.62 114.58 120.40 1fi6 h GLU 38 Ca 0.20 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1fi6 h GLU 38 Cb 0.14 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1fi6 h GLU 38 CO -0.16 0.63 -0.21 0.35 -1.00 0.00 0.00 179.01 178.62 1fi6 h PHE 39 N 0.77 -0.55 -0.83 4.33 3.57 0.12 -3.11 116.94 121.25 1fi6 h PHE 39 Ca 0.20 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.88 1fi6 h PHE 39 Cb 0.07 0.18 -0.12 0.00 2.79 0.00 0.00 35.95 38.87 1fi6 h PHE 39 CO -0.01 -0.22 0.29 0.74 -2.23 0.00 0.00 178.31 176.87 1fi6 h PHE 40 N -0.88 0.47 -1.25 0.41 0.04 0.02 0.16 116.94 115.90 1fi6 h PHE 40 Ca -0.06 0.04 0.43 0.00 2.80 0.00 0.00 57.97 61.18 1fi6 h PHE 40 Cb 0.57 -0.08 -0.14 0.00 2.20 0.00 0.00 35.95 38.50 1fi6 h PHE 40 CO 0.01 -0.07 0.78 1.15 -0.60 0.00 0.00 178.31 179.59 1fi6 h THR 41 N 0.34 0.09 -0.70 -1.55 2.02 -1.22 0.75 112.91 112.65 1fi6 h THR 41 Ca 0.49 -0.03 0.07 0.00 0.77 0.00 0.00 66.41 67.71 1fi6 h THR 41 Cb 0.89 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 1fi6 h THR 41 CO -0.53 0.01 0.46 0.11 0.37 0.00 0.00 175.52 175.95 1fi6 h LYS 42 N 0.08 0.69 -1.63 6.66 6.56 -0.77 -2.58 116.57 125.58 1fi6 h LYS 42 Ca 0.83 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 60.38 1fi6 h LYS 42 Cb 2.50 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 34.00 1fi6 h LYS 42 CO -0.50 0.46 0.00 0.43 -2.06 0.00 0.00 179.45 177.77 1fi6 n SER 43 N -4.48 1.57 -1.10 0.86 7.64 0.26 -4.67 113.62 113.70 1fi6 n SER 43 Ca 0.10 -1.05 -0.06 0.00 1.01 0.00 0.00 58.87 58.87 1fi6 n SER 43 Cb 0.24 -0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 63.13 1fi6 n SER 43 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1fi6 n LYS 44 N 0.96 -1.21 -2.95 1.43 3.00 -0.97 -4.88 118.16 113.54 1fi6 n LYS 44 Ca 0.00 0.37 -0.40 0.00 -0.00 0.00 0.00 58.31 58.29 1fi6 n LYS 44 Cb 0.23 -4.42 -0.06 0.00 0.00 0.00 0.00 35.03 30.78 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 -2.66 4.58 -0.04 3.14 1.02 -1.24 -5.01 118.68 118.46 1fi6 s LEU 45 Ca 0.00 1.66 -0.30 0.00 0.02 0.00 0.00 54.13 55.51 1fi6 s LEU 45 Cb 0.00 -3.33 -0.05 0.00 0.02 0.00 0.00 46.19 42.83 1fi6 s LEU 45 CO 0.00 0.17 1.49 -2.16 0.02 0.00 0.00 176.35 175.87 1fi6 s PRO 46 N -0.97 4.23 0.38 1.29 0.04 -1.26 -4.69 135.00 134.02 1fi6 s PRO 46 Ca 0.37 2.02 0.27 0.00 0.04 0.00 0.00 61.00 63.70 1fi6 s PRO 46 Cb -0.23 -3.75 1.32 0.00 0.04 0.00 0.00 34.50 31.88 1fi6 s PRO 46 CO 0.27 -0.71 1.43 1.51 0.04 0.00 0.00 177.00 179.54 1fi6 n ILE 47 N 5.07 -0.28 -0.08 0.56 3.06 -1.26 0.06 119.36 126.50 1fi6 n ILE 47 Ca 0.15 1.71 -0.11 0.00 -2.50 0.00 0.00 62.75 62.00 1fi6 n ILE 47 Cb 0.43 -2.79 -0.05 0.00 0.54 0.00 0.00 39.64 37.77 1fi6 n ILE 47 CO 0.00 0.00 0.00 0.25 -2.50 0.00 0.00 176.55 174.30 1fi6 h LEU 48 N 0.00 -1.40 -0.67 9.51 7.12 -2.02 -0.59 115.31 127.26 1fi6 h LEU 48 Ca 0.80 0.20 -0.04 0.00 0.13 0.00 0.00 57.88 58.97 1fi6 h LEU 48 Cb 2.43 0.59 -0.03 0.00 -0.53 0.00 0.00 40.66 43.13 1fi6 h LEU 48 CO -0.51 -0.39 0.26 -0.33 -0.13 0.00 0.00 178.44 177.34 1fi6 h GLU 49 N -0.40 1.01 -1.01 1.25 4.39 -0.75 -2.61 114.58 116.46 1fi6 h GLU 49 Ca 0.11 -0.19 0.27 0.00 0.34 0.00 0.00 59.36 59.90 1fi6 h GLU 49 Cb 0.60 -0.16 -0.13 0.00 -0.10 0.00 0.00 28.75 28.96 1fi6 h GLU 49 CO -0.50 0.85 0.60 -0.07 -1.16 0.00 0.00 179.01 178.73 1fi6 h LEU 50 N 0.96 0.60 0.51 1.33 4.07 -0.71 -1.29 115.31 120.78 1fi6 h LEU 50 Ca 0.22 0.15 -0.02 0.00 0.08 0.00 0.00 57.88 58.31 1fi6 h LEU 50 Cb 0.22 0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.02 1fi6 h LEU 50 CO -0.02 0.03 -0.24 -1.28 -1.08 0.00 0.00 178.44 175.85 1fi6 h SER 51 N 0.48 -0.58 -0.44 -0.43 0.87 -0.80 -2.96 113.55 109.69 1fi6 h SER 51 Ca 0.67 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 61.31 1fi6 h SER 51 Cb 1.41 0.15 -0.07 0.00 -0.44 0.00 0.00 62.40 63.45 1fi6 h SER 51 CO -0.49 -0.38 0.05 -0.74 -0.53 0.00 0.00 176.83 174.73 1fi6 h HIS 52 N -0.72 0.07 -0.62 2.24 -0.00 -1.32 -2.44 115.15 112.36 1fi6 h HIS 52 Ca -0.07 0.03 0.12 0.00 -0.00 0.00 0.00 60.37 60.45 1fi6 h HIS 52 Cb 0.54 0.03 -0.12 0.00 -0.00 0.00 0.00 27.41 27.87 1fi6 h HIS 52 CO -0.03 -0.04 -0.16 0.82 -0.00 0.00 0.00 177.93 178.52 1fi6 h ILE 53 N 0.17 0.37 -0.20 6.26 1.08 -1.33 -2.15 117.51 121.72 1fi6 h ILE 53 Ca 0.22 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.74 1fi6 h ILE 53 Cb 0.30 0.37 -0.07 0.00 -3.07 0.00 0.00 36.82 34.35 1fi6 h ILE 53 CO -0.32 0.00 -0.34 -0.25 -0.69 0.00 0.00 178.15 176.55 1fi6 h TRP 54 N -0.01 -0.95 -0.67 1.37 2.91 -1.27 0.76 115.95 118.09 1fi6 h TRP 54 Ca 0.30 0.04 0.13 0.00 1.13 0.00 0.00 58.89 60.49 1fi6 h TRP 54 Cb 0.46 0.45 -0.10 0.00 -0.51 0.00 0.00 29.16 29.46 1fi6 h TRP 54 CO -0.51 -0.41 0.17 0.93 -1.03 0.00 0.00 178.44 177.58 1fi6 h GLU 55 N -0.38 0.28 -0.33 2.65 4.39 -1.40 0.80 114.58 120.59 1fi6 h GLU 55 Ca 0.11 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.69 1fi6 h GLU 55 Cb 0.56 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1fi6 h GLU 55 CO -0.41 0.18 -0.24 -0.07 -1.16 0.00 0.00 179.01 177.32 1fi6 h LEU 56 N 0.29 0.66 -0.52 1.33 4.07 -0.90 -3.06 115.31 117.18 1fi6 h LEU 56 Ca 0.36 -0.23 -0.16 0.00 0.08 0.00 0.00 57.88 57.93 1fi6 h LEU 56 Cb 0.57 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1fi6 h LEU 56 CO -0.44 0.88 -0.66 0.28 -1.08 0.00 0.00 178.44 177.42 1fi6 h SER 57 N 0.57 0.40 -1.70 -0.43 0.02 0.30 -3.30 113.55 109.41 1fi6 h SER 57 Ca 0.08 -0.25 -0.75 0.00 -0.84 0.00 0.00 61.79 60.03 1fi6 h SER 57 Cb 0.71 -0.12 -0.21 0.00 0.14 0.00 0.00 62.40 62.93 1fi6 h SER 57 CO 0.05 0.95 1.49 -0.67 -1.14 0.00 0.00 176.83 177.51 1fi6 n ASP 58 N -3.86 7.55 0.19 3.07 2.03 0.25 -4.69 116.55 121.09 1fi6 n ASP 58 Ca -0.03 -3.46 0.07 0.00 0.52 0.00 0.00 54.79 51.89 1fi6 n ASP 58 Cb 0.66 -1.24 0.36 0.00 -0.72 0.00 0.00 41.12 40.18 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 4.11 0.00 0.03 -0.67 -1.00 -1.68 0.24 116.94 117.96 1fi6 h PHE 59 Ca 0.59 0.00 -0.36 0.00 2.81 0.00 0.00 57.97 61.01 1fi6 h PHE 59 Cb 0.32 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.83 1fi6 h PHE 59 CO 1.43 0.00 -2.22 -0.40 -1.61 0.00 0.00 178.31 175.51 1fi6 n ASP 60 N -2.12 1.29 -2.14 2.17 5.75 -1.26 -5.03 116.55 115.20 1fi6 n ASP 60 Ca -0.01 0.07 -0.07 0.00 -0.01 0.00 0.00 54.79 54.77 1fi6 n ASP 60 Cb 0.39 -0.07 0.04 0.00 -1.03 0.00 0.00 41.12 40.45 1fi6 n ASP 60 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1fi6 n LYS 61 N -3.13 -2.07 -0.09 0.11 4.01 0.83 -4.97 118.16 112.84 1fi6 n LYS 61 Ca -0.34 0.37 -0.08 0.00 -0.51 0.00 0.00 58.31 57.75 1fi6 n LYS 61 Cb 1.06 -3.72 -0.16 0.00 -0.51 0.00 0.00 35.03 31.70 1fi6 n LYS 61 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1fi6 n ASP 62 N -2.06 0.15 0.00 4.39 5.68 -1.26 -4.72 116.55 118.72 1fi6 n ASP 62 Ca -0.09 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 1fi6 n ASP 62 Cb 0.56 1.06 0.00 0.00 -1.14 0.00 0.00 41.12 41.61 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 1.75 0.79 2.94 6.12 0.00 -1.26 -5.09 105.19 110.45 1fi6 n GLY 63 Ca -0.30 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.01 -0.27 4.61 0.00 -1.26 -4.28 121.76 118.55 1fi6 s ALA 64 Ca 0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 51.96 51.64 1fi6 s ALA 64 Cb 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1fi6 s ALA 64 CO 0.00 -0.08 0.27 -0.51 0.00 0.00 0.00 175.76 175.43 1fi6 s LEU 65 N -0.64 4.03 0.30 0.00 1.02 0.13 -4.89 118.68 118.64 1fi6 s LEU 65 Ca -0.07 0.13 -0.02 0.00 0.02 0.00 0.00 54.13 54.19 1fi6 s LEU 65 Cb -0.04 -2.25 -0.04 0.00 0.02 0.00 0.00 46.19 43.88 1fi6 s LEU 65 CO -0.00 -0.10 0.52 0.42 0.02 0.00 0.00 176.35 177.21 1fi6 s THR 66 N 1.84 5.10 0.36 5.49 -4.23 -1.26 0.12 115.64 123.05 1fi6 s THR 66 Ca 0.10 -0.26 0.18 0.00 -1.18 0.00 0.00 61.69 60.53 1fi6 s THR 66 Cb -0.16 -3.79 0.34 0.00 1.34 0.00 0.00 72.50 70.23 1fi6 s THR 66 CO 0.10 -0.41 1.63 0.25 -0.54 0.00 0.00 174.62 175.65 1fi6 h LEU 67 N 1.31 0.42 -0.04 4.79 7.12 -1.77 0.58 115.31 127.72 1fi6 h LEU 67 Ca -0.49 0.22 0.04 0.00 0.13 0.00 0.00 57.88 57.78 1fi6 h LEU 67 Cb 1.20 0.19 -0.06 0.00 -0.53 0.00 0.00 40.66 41.47 1fi6 h LEU 67 CO 0.64 -0.26 -0.38 -0.78 -0.13 0.00 0.00 178.44 177.53 1fi6 h ASP 68 N 0.18 -1.17 -0.47 1.25 1.82 -1.91 0.16 116.42 116.29 1fi6 h ASP 68 Ca 0.79 0.15 -0.02 0.00 -0.39 0.00 0.00 57.03 57.55 1fi6 h ASP 68 Cb 1.96 0.47 -0.02 0.00 0.68 0.00 0.00 39.33 42.41 1fi6 h ASP 68 CO -0.66 -0.42 0.20 -0.33 -1.61 0.00 0.00 179.24 176.41 1fi6 h GLU 69 N -0.51 0.70 -0.65 0.28 5.08 -0.28 -2.59 114.58 116.61 1fi6 h GLU 69 Ca 0.06 -0.12 0.13 0.00 -1.00 0.00 0.00 59.36 58.44 1fi6 h GLU 69 Cb 0.61 -0.12 -0.10 0.00 0.50 0.00 0.00 28.75 29.65 1fi6 h GLU 69 CO -0.33 0.62 0.08 0.35 -1.00 0.00 0.00 179.01 178.73 1fi6 h PHE 70 N 0.62 0.10 0.08 4.33 3.57 0.10 0.83 116.94 126.57 1fi6 h PHE 70 Ca 0.16 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.72 1fi6 h PHE 70 Cb 0.18 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1fi6 h PHE 70 CO 0.00 -0.11 -0.31 0.00 -2.23 0.00 0.00 178.31 175.66 1fi6 h ALA 72 N 0.19 0.55 0.42 0.00 0.00 -1.08 -0.28 119.26 119.06 1fi6 h ALA 72 Ca 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1fi6 h ALA 72 Cb 0.55 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1fi6 h ALA 72 CO -0.20 0.35 -0.23 0.00 0.00 0.00 0.00 179.25 179.17 1fi6 h ALA 73 N 0.88 -0.61 0.05 0.00 0.00 0.91 0.86 119.26 121.35 1fi6 h ALA 73 Ca 0.11 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1fi6 h ALA 73 Cb 0.51 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1fi6 h ALA 73 CO 0.02 -0.85 -0.13 0.35 0.00 0.00 0.00 179.25 178.64 1fi6 h PHE 74 N -0.61 -0.35 0.22 0.00 3.57 0.24 0.65 116.94 120.67 1fi6 h PHE 74 Ca -0.05 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.46 1fi6 h PHE 74 Cb 0.48 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 1fi6 h PHE 74 CO -0.07 -0.20 -0.30 1.25 -2.23 0.00 0.00 178.31 176.76 1fi6 h HIS 75 N -0.25 -0.80 -0.20 0.41 2.76 -0.88 0.11 115.15 116.30 1fi6 h HIS 75 Ca 0.03 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.25 1fi6 h HIS 75 Cb 0.29 0.32 -0.04 0.00 1.55 0.00 0.00 27.41 29.53 1fi6 h HIS 75 CO -0.17 -0.42 -0.05 1.25 -1.30 0.00 0.00 177.93 177.25 1fi6 h LEU 76 N -0.58 -0.18 -0.45 0.26 6.46 0.96 -2.32 115.31 119.47 1fi6 h LEU 76 Ca 0.00 0.06 0.08 0.00 -0.12 0.00 0.00 57.88 57.90 1fi6 h LEU 76 Cb 0.56 0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 40.55 1fi6 h LEU 76 CO -0.11 -0.06 0.07 0.58 -0.62 0.00 0.00 178.44 178.30 1fi6 h VAL 77 N 0.01 0.73 -0.91 1.05 2.07 0.64 -1.92 116.25 117.92 1fi6 h VAL 77 Ca 0.10 -0.07 0.23 0.00 0.82 0.00 0.00 66.70 67.78 1fi6 h VAL 77 Cb 0.15 0.52 -0.16 0.00 -1.52 0.00 0.00 31.29 30.27 1fi6 h VAL 77 CO -0.20 0.04 0.01 0.58 0.02 0.00 0.00 177.57 178.01 1fi6 h VAL 78 N 0.20 0.14 -1.01 2.57 2.07 -0.20 0.42 116.25 120.43 1fi6 h VAL 78 Ca 0.22 -0.02 0.25 0.00 0.82 0.00 0.00 66.70 67.97 1fi6 h VAL 78 Cb 0.30 0.08 -0.12 0.00 -1.52 0.00 0.00 31.29 30.04 1fi6 h VAL 78 CO -0.31 0.01 0.61 0.00 0.02 0.00 0.00 177.57 177.90 1fi6 h ALA 79 N 1.88 1.86 -0.13 1.67 0.00 -1.27 -0.80 119.26 122.47 1fi6 h ALA 79 Ca 0.53 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.56 1fi6 h ALA 79 Cb 1.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1fi6 h ALA 79 CO -0.83 -0.32 0.05 -0.09 0.00 0.00 0.00 179.25 178.07 1fi6 h ARG 80 N 0.56 0.12 -0.86 0.00 1.12 -0.25 0.10 114.38 115.17 1fi6 h ARG 80 Ca 0.63 -0.01 0.20 0.00 -1.11 0.00 0.00 59.98 59.69 1fi6 h ARG 80 Cb 1.25 -0.03 -0.12 0.00 -0.01 0.00 0.00 29.97 31.07 1fi6 h ARG 80 CO -0.44 0.08 0.37 -0.22 -3.11 0.00 0.00 179.97 176.66 1fi6 h LYS 81 N 0.12 0.42 0.00 0.20 3.64 -1.13 -3.07 116.57 116.75 1fi6 h LYS 81 Ca 0.05 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1fi6 h LYS 81 Cb 0.02 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1fi6 h LYS 81 CO -0.04 0.28 -0.09 -0.91 -2.27 0.00 0.00 179.45 176.41 1fi6 h ASN 82 N 0.43 0.00 0.00 4.20 4.21 -1.44 -3.48 115.58 119.50 1fi6 h ASN 82 Ca 0.52 -0.22 0.00 0.00 1.21 0.00 0.00 56.30 57.81 1fi6 h ASN 82 Cb 0.92 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.12 1fi6 h ASN 82 CO -0.49 0.66 0.00 0.61 -1.29 0.00 0.00 177.43 176.92 1fi6 n GLY 83 N 1.72 0.00 3.04 2.83 0.00 0.14 -5.13 105.19 107.79 1fi6 n GLY 83 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1fi6 n GLY 83 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fi6 s TYR 84 N 0.00 3.54 1.00 1.61 1.51 0.01 -4.97 117.35 120.05 1fi6 s TYR 84 Ca 0.00 -2.71 -0.13 0.00 -1.01 0.00 0.00 57.07 53.22 1fi6 s TYR 84 Cb 0.00 -2.49 0.19 0.00 -0.11 0.00 0.00 41.96 39.55 1fi6 s TYR 84 CO 0.00 -0.92 1.11 0.34 -1.11 0.00 0.00 175.55 174.97 1fi6 s ASP 85 N 0.99 2.64 0.03 2.29 -1.08 -1.26 -3.99 116.67 116.29 1fi6 s ASP 85 Ca 0.02 1.02 0.09 0.00 -0.52 0.00 0.00 52.55 53.16 1fi6 s ASP 85 Cb -0.19 -1.60 -0.03 0.00 -1.46 0.00 0.00 42.92 39.64 1fi6 s ASP 85 CO -0.07 -3.10 -0.26 -0.76 0.52 0.00 0.00 175.17 171.50 1fi6 s LEU 86 N -6.39 2.14 0.63 -1.34 1.02 -1.26 -5.03 118.68 108.45 1fi6 s LEU 86 Ca 0.66 -0.56 -0.16 0.00 0.02 0.00 0.00 54.13 54.09 1fi6 s LEU 86 Cb -0.16 -1.29 -0.02 0.00 0.02 0.00 0.00 46.19 44.74 1fi6 s LEU 86 CO 0.56 0.27 1.10 -2.16 0.02 0.00 0.00 176.35 176.14 1fi6 s PRO 87 N -1.10 2.97 0.00 1.29 0.04 -1.26 -4.86 135.00 132.07 1fi6 s PRO 87 Ca 0.11 1.39 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 1fi6 s PRO 87 Cb -0.10 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 1fi6 s PRO 87 CO 0.01 -1.12 1.32 0.39 0.04 0.00 0.00 177.00 177.65 1fi6 n GLU 88 N -2.18 0.55 0.00 4.56 1.02 -1.26 -4.81 120.64 118.52 1fi6 n GLU 88 Ca 0.10 -0.26 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1fi6 n GLU 88 Cb 0.52 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 1fi6 n GLU 88 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1fi6 n LYS 89 N 2.77 2.17 -1.54 3.49 5.02 -1.26 -4.77 118.16 124.03 1fi6 n LYS 89 Ca 0.11 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.01 1fi6 n LYS 89 Cb 0.25 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.21 1fi6 n LYS 89 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1fi6 n LEU 90 N 0.00 2.19 -0.02 -0.35 7.94 -1.26 -4.83 117.00 120.68 1fi6 n LEU 90 Ca 0.00 -0.25 -0.00 0.00 -1.11 0.00 0.00 56.01 54.65 1fi6 n LEU 90 Cb 0.00 -1.47 -0.00 0.00 0.53 0.00 0.00 43.42 42.48 1fi6 n LEU 90 CO 0.00 -1.28 0.00 1.55 -1.11 0.00 0.00 177.39 176.56 1fi6 h PRO 91 N 17.46 -0.00 0.00 1.96 0.13 -1.91 -3.43 132.00 146.20 1fi6 h PRO 91 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1fi6 h PRO 91 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1fi6 h PRO 91 CO 1.15 -0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.31 1fi6 n GLU 92 N -3.00 1.80 -2.07 0.86 1.02 -1.26 -4.14 120.64 113.84 1fi6 n GLU 92 Ca -0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.75 1fi6 n GLU 92 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.44 1fi6 n GLU 92 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1fi6 n SER 93 N -1.47 7.39 -2.38 1.62 2.88 -1.26 -4.71 113.62 115.68 1fi6 n SER 93 Ca 0.00 -3.68 -0.34 0.00 -1.33 0.00 0.00 58.87 53.52 1fi6 n SER 93 Cb 0.00 -1.14 0.07 0.00 -0.75 0.00 0.00 64.21 62.39 1fi6 n SER 93 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1fi6 n LEU 94 N -0.09 7.55 -2.68 2.46 4.77 -1.26 -4.32 117.00 123.43 1fi6 n LEU 94 Ca 0.52 -4.28 -0.06 0.00 -0.03 0.00 0.00 56.01 52.16 1fi6 n LEU 94 Cb 0.28 -1.01 0.11 0.00 -2.33 0.00 0.00 43.42 40.47 1fi6 n LEU 94 CO 0.50 1.50 0.54 0.80 -1.33 0.00 0.00 177.39 179.40 1fi6 n MET 95 N -0.70 1.13 -2.27 3.23 1.56 -1.26 -5.14 117.12 113.67 1fi6 n MET 95 Ca 0.58 -1.62 -0.42 0.00 -0.27 0.00 0.00 57.70 55.98 1fi6 n MET 95 Cb 0.58 0.03 -0.03 0.00 2.15 0.00 0.00 33.22 35.96 1fi6 n MET 95 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1fi6 s PRO 96 N 0.17 4.37 0.00 2.12 0.04 -1.26 -5.08 135.00 135.36 1fi6 s PRO 96 Ca 0.18 1.96 0.19 0.00 0.04 0.00 0.00 61.00 63.37 1fi6 s PRO 96 Cb 0.37 -3.28 0.15 0.00 0.04 0.00 0.00 34.50 31.79 1fi6 s PRO 96 CO -0.09 -0.34 1.09 1.63 0.04 0.00 0.00 177.00 179.33