#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fi6 n LYS 7 N 0.00 -2.81 -2.35 -0.99 4.81 -1.26 -4.98 118.16 110.59 1fi6 n LYS 7 Ca 0.00 2.30 -0.37 0.00 -0.87 0.00 0.00 58.31 59.37 1fi6 n LYS 7 Cb 0.00 -3.31 -0.02 0.00 0.02 0.00 0.00 35.03 31.72 1fi6 n LYS 7 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1fi6 s ILE 8 N -0.38 3.30 0.00 3.15 1.01 -1.26 -5.06 121.20 121.96 1fi6 s ILE 8 Ca -0.14 1.00 0.01 0.00 0.00 0.00 0.00 60.65 61.52 1fi6 s ILE 8 Cb 0.01 -3.52 -0.00 0.00 0.01 0.00 0.00 42.46 38.95 1fi6 s ILE 8 CO 0.37 0.01 -0.03 -0.89 0.00 0.00 0.00 174.94 174.40 1fi6 s THR 9 N -1.55 0.20 0.33 2.92 2.01 -1.26 -5.04 115.64 113.25 1fi6 s THR 9 Ca 0.61 -0.20 0.12 0.00 0.31 0.00 0.00 61.69 62.52 1fi6 s THR 9 Cb -0.27 -0.19 0.32 0.00 0.01 0.00 0.00 72.50 72.37 1fi6 s THR 9 CO 0.33 -0.01 1.71 -0.78 -0.69 0.00 0.00 174.62 175.18 1fi6 h ASP 10 N 5.91 0.61 -0.93 3.53 3.58 -1.98 0.54 116.42 127.68 1fi6 h ASP 10 Ca -0.27 0.15 0.20 0.00 0.42 0.00 0.00 57.03 57.53 1fi6 h ASP 10 Cb 1.20 0.06 -0.11 0.00 1.72 0.00 0.00 39.33 42.20 1fi6 h ASP 10 CO 0.49 0.03 0.49 -0.33 -2.88 0.00 0.00 179.24 177.05 1fi6 h GLU 11 N 0.49 0.57 0.02 0.28 3.07 -1.99 0.29 114.58 117.31 1fi6 h GLU 11 Ca 0.67 -0.03 -0.19 0.00 -0.50 0.00 0.00 59.36 59.31 1fi6 h GLU 11 Cb 1.40 -0.13 0.02 0.00 -0.84 0.00 0.00 28.75 29.19 1fi6 h GLU 11 CO -0.50 0.37 -0.74 1.96 -1.40 0.00 0.00 179.01 178.70 1fi6 h GLN 12 N 0.58 0.46 -0.33 2.33 7.50 -0.41 -2.68 115.11 122.56 1fi6 h GLN 12 Ca 0.55 -0.52 0.07 0.00 0.50 0.00 0.00 58.65 59.24 1fi6 h GLN 12 Cb 0.93 0.16 -0.08 0.00 0.05 0.00 0.00 27.48 28.54 1fi6 h GLN 12 CO -0.44 1.17 -0.37 -0.09 -1.50 0.00 0.00 178.83 177.60 1fi6 h ARG 13 N -0.03 -0.32 -0.30 1.46 2.43 0.66 -1.60 114.38 116.68 1fi6 h ARG 13 Ca -0.10 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1fi6 h ARG 13 Cb 1.45 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 31.05 1fi6 h ARG 13 CO 0.14 -0.21 0.17 1.96 -1.51 0.00 0.00 179.97 180.52 1fi6 h GLN 14 N -0.33 0.35 -0.53 0.20 7.50 -0.65 -2.26 115.11 119.38 1fi6 h GLN 14 Ca 0.14 -0.02 0.10 0.00 0.50 0.00 0.00 58.65 59.36 1fi6 h GLN 14 Cb 0.57 -0.08 -0.11 0.00 0.05 0.00 0.00 27.48 27.92 1fi6 h GLN 14 CO -0.51 0.23 -0.32 -0.92 -1.50 0.00 0.00 178.83 175.81 1fi6 h TYR 15 N 0.36 -0.89 0.18 2.96 3.20 -0.95 0.51 116.97 122.33 1fi6 h TYR 15 Ca 0.12 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 1fi6 h TYR 15 Cb 0.00 0.47 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 1fi6 h TYR 15 CO -0.08 -0.38 -0.10 1.88 -1.64 0.00 0.00 178.16 177.84 1fi6 h TYR 16 N -0.18 -0.27 -0.87 -3.82 0.05 -1.22 -2.72 116.97 107.93 1fi6 h TYR 16 Ca 0.22 -0.00 0.11 0.00 0.05 0.00 0.00 58.73 59.11 1fi6 h TYR 16 Cb 0.54 0.09 -0.08 0.00 1.01 0.00 0.00 36.73 38.29 1fi6 h TYR 16 CO -0.60 -0.17 0.50 0.28 -1.05 0.00 0.00 178.16 177.12 1fi6 h VAL 17 N -0.27 0.86 -1.21 -2.88 2.07 -0.68 0.30 116.25 114.44 1fi6 h VAL 17 Ca -0.02 -0.27 0.36 0.00 0.82 0.00 0.00 66.70 67.59 1fi6 h VAL 17 Cb 0.22 0.01 -0.11 0.00 -1.52 0.00 0.00 31.29 29.89 1fi6 h VAL 17 CO 0.02 0.14 0.79 -1.13 0.02 0.00 0.00 177.57 177.42 1fi6 h ASN 18 N 0.79 0.30 0.00 0.57 -1.24 0.30 1.22 115.58 117.52 1fi6 h ASN 18 Ca 0.44 0.10 -0.20 0.00 0.71 0.00 0.00 56.30 57.35 1fi6 h ASN 18 Cb 0.47 0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.56 1fi6 h ASN 18 CO -0.28 -0.05 -1.47 0.00 -1.29 0.00 0.00 177.43 174.33 1fi6 n GLN 19 N -4.61 0.54 0.26 6.67 1.13 -0.06 -4.35 117.38 116.96 1fi6 n GLN 19 Ca 0.32 0.36 0.18 0.00 -1.94 0.00 0.00 57.00 55.91 1fi6 n GLN 19 Cb 1.21 -1.56 0.90 0.00 0.11 0.00 0.00 30.24 30.89 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 -1.22 1.08 -1.00 -0.08 -2.76 116.94 111.96 1fi6 h PHE 20 Ca -0.30 0.00 0.41 0.00 2.81 0.00 0.00 57.97 60.89 1fi6 h PHE 20 Cb 1.17 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 40.60 1fi6 h PHE 20 CO -0.18 0.00 0.76 0.87 -1.61 0.00 0.00 178.31 178.15 1fi6 h LYS 21 N 0.00 0.12 0.00 1.51 1.57 0.13 1.37 116.57 121.27 1fi6 h LYS 21 Ca 0.06 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1fi6 h LYS 21 Cb 0.48 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1fi6 h LYS 21 CO -0.00 0.08 0.00 -2.37 -0.57 0.00 0.00 179.45 176.59 1fi6 n THR 22 N -4.82 1.34 0.05 -0.16 5.66 -1.04 -3.80 114.28 111.51 1fi6 n THR 22 Ca 0.36 0.34 0.00 0.00 -3.05 0.00 0.00 64.05 61.69 1fi6 n THR 22 Cb 1.32 -1.31 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 1fi6 n THR 22 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1fi6 n ILE 23 N -1.35 0.02 -3.38 1.09 5.41 0.39 -5.05 119.36 116.49 1fi6 n ILE 23 Ca 0.01 0.01 -0.25 0.00 1.00 0.00 0.00 62.75 63.51 1fi6 n ILE 23 Cb 0.01 -0.55 -0.10 0.00 -0.71 0.00 0.00 39.64 38.29 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 -2.00 0.75 0.01 0.38 2.00 0.29 -5.01 119.66 116.07 1fi6 s GLN 24 Ca 0.00 -1.62 -0.17 0.00 -2.00 0.00 0.00 55.36 51.57 1fi6 s GLN 24 Cb 0.00 -1.22 -0.09 0.00 0.80 0.00 0.00 33.01 32.50 1fi6 s GLN 24 CO 0.00 -1.30 0.95 -1.00 -0.50 0.00 0.00 175.29 173.44 1fi6 h PRO 25 N 6.28 -0.58 0.00 1.67 0.13 -1.70 -3.38 132.00 134.42 1fi6 h PRO 25 Ca 0.16 0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 65.27 1fi6 h PRO 25 Cb 0.96 0.13 -0.06 0.00 0.13 0.00 0.00 31.00 32.16 1fi6 h PRO 25 CO 0.29 -0.39 -0.13 -3.47 -0.23 0.00 0.00 178.00 174.07 1fi6 n ASP 26 N -4.16 -0.45 -3.79 1.44 2.03 -1.26 -4.77 116.55 105.60 1fi6 n ASP 26 Ca -0.08 -1.44 -0.19 0.00 0.52 0.00 0.00 54.79 53.61 1fi6 n ASP 26 Cb 0.24 0.14 0.11 0.00 -0.72 0.00 0.00 41.12 40.88 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 4.77 -1.26 -4.98 117.00 110.56 1fi6 n LEU 27 Ca -0.13 -1.46 -0.31 0.00 -0.03 0.00 0.00 56.01 54.09 1fi6 n LEU 27 Cb 0.59 -0.57 0.06 0.00 -2.33 0.00 0.00 43.42 41.17 1fi6 n LEU 27 CO -0.06 -0.97 1.42 -3.20 -1.33 0.00 0.00 177.39 173.25 1fi6 n ASN 28 N -3.13 7.40 -4.94 -1.43 5.15 -1.26 -4.37 115.26 112.68 1fi6 n ASN 28 Ca 0.12 -3.62 -0.26 0.00 -0.60 0.00 0.00 54.58 50.22 1fi6 n ASN 28 Cb 0.44 -1.01 -0.03 0.00 -0.53 0.00 0.00 39.78 38.65 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 -1.27 1.68 -0.11 8.20 0.00 -1.26 -4.92 107.32 109.63 1fi6 s GLY 29 Ca 0.57 -0.99 0.03 0.00 0.00 0.00 0.00 44.72 44.32 1fi6 s GLY 29 CO -0.05 -0.98 -0.22 -1.36 0.00 0.00 0.00 173.10 170.49 1fi6 s PHE 30 N -1.80 2.62 0.00 1.90 0.40 -1.26 -2.01 117.98 117.83 1fi6 s PHE 30 Ca 0.36 -1.06 -0.20 0.00 -0.60 0.00 0.00 56.93 55.43 1fi6 s PHE 30 Cb -0.11 -1.75 -0.05 0.00 0.51 0.00 0.00 43.02 41.61 1fi6 s PHE 30 CO 0.29 -0.43 0.59 0.42 0.70 0.00 0.00 175.22 176.78 1fi6 s ILE 31 N 0.45 4.90 0.38 0.64 1.01 0.39 -4.70 121.20 124.27 1fi6 s ILE 31 Ca -0.15 1.23 -0.26 0.00 0.00 0.00 0.00 60.65 61.47 1fi6 s ILE 31 Cb -0.17 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.29 1fi6 s ILE 31 CO 0.06 0.43 1.17 -2.16 0.00 0.00 0.00 174.94 174.44 1fi6 s PRO 32 N -0.28 4.15 0.57 2.79 0.04 -1.26 0.50 135.00 141.50 1fi6 s PRO 32 Ca 0.31 1.86 0.35 0.00 0.04 0.00 0.00 61.00 63.55 1fi6 s PRO 32 Cb -0.18 -2.76 1.46 0.00 0.04 0.00 0.00 34.50 33.05 1fi6 s PRO 32 CO 0.17 -0.24 1.71 0.78 0.04 0.00 0.00 177.00 179.45 1fi6 h GLY 33 N 2.82 0.00 0.33 0.56 0.00 -1.96 -0.43 103.07 104.40 1fi6 h GLY 33 Ca -0.49 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.85 1fi6 h GLY 33 CO 0.63 0.00 -0.46 0.23 0.00 0.00 0.00 176.54 176.94 1fi6 h SER 34 N 0.00 -1.34 0.11 0.19 0.87 -1.92 0.69 113.55 112.14 1fi6 h SER 34 Ca 0.53 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 61.21 1fi6 h SER 34 Cb 2.35 0.48 0.00 0.00 -0.44 0.00 0.00 62.40 64.79 1fi6 h SER 34 CO -0.01 -0.56 -0.05 0.00 -0.53 0.00 0.00 176.83 175.69 1fi6 h ALA 35 N -0.45 -0.14 -0.74 6.23 0.00 -1.44 -2.47 119.26 120.25 1fi6 h ALA 35 Ca -0.01 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.94 1fi6 h ALA 35 Cb 0.75 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 1fi6 h ALA 35 CO -0.19 -0.54 0.36 0.00 0.00 0.00 0.00 179.25 178.88 1fi6 h ALA 36 N 0.66 1.04 0.13 0.00 0.00 -1.35 0.79 119.26 120.53 1fi6 h ALA 36 Ca -0.01 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1fi6 h ALA 36 Cb 0.19 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1fi6 h ALA 36 CO 0.02 -0.07 -0.29 0.87 0.00 0.00 0.00 179.25 179.79 1fi6 h LYS 37 N 0.59 -0.49 0.16 0.00 6.56 0.64 0.16 116.57 124.19 1fi6 h LYS 37 Ca 0.38 0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.99 1fi6 h LYS 37 Cb 0.44 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.21 1fi6 h LYS 37 CO -0.30 -0.33 -0.08 0.93 -2.06 0.00 0.00 179.45 177.62 1fi6 h GLU 38 N -0.51 -0.20 -0.32 3.15 5.08 -0.96 0.90 114.58 121.72 1fi6 h GLU 38 Ca 0.03 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 1fi6 h GLU 38 Cb 0.54 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.75 1fi6 h GLU 38 CO -0.16 0.21 -0.34 0.35 -1.00 0.00 0.00 179.01 178.07 1fi6 h PHE 39 N -0.72 -0.95 0.27 4.33 3.57 0.62 0.21 116.94 124.28 1fi6 h PHE 39 Ca -0.02 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1fi6 h PHE 39 Cb 0.51 0.46 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1fi6 h PHE 39 CO 0.07 -0.40 -0.13 0.74 -2.23 0.00 0.00 178.31 176.36 1fi6 h PHE 40 N -0.31 -0.34 -0.95 0.41 0.04 -0.75 -2.99 116.94 112.04 1fi6 h PHE 40 Ca 0.14 -0.01 0.30 0.00 2.80 0.00 0.00 57.97 61.20 1fi6 h PHE 40 Cb 0.55 0.11 -0.15 0.00 2.20 0.00 0.00 35.95 38.66 1fi6 h PHE 40 CO -0.51 -0.04 0.38 1.15 -0.60 0.00 0.00 178.31 178.69 1fi6 h THR 41 N -0.64 0.24 -0.91 -1.55 2.02 -0.41 0.90 112.91 112.57 1fi6 h THR 41 Ca -0.04 -0.07 0.20 0.00 0.77 0.00 0.00 66.41 67.27 1fi6 h THR 41 Cb 0.45 0.01 -0.07 0.00 -1.74 0.00 0.00 68.15 66.81 1fi6 h THR 41 CO 0.06 0.04 0.60 0.11 0.37 0.00 0.00 175.52 176.70 1fi6 h LYS 42 N 0.21 0.43 -0.52 6.66 1.57 -0.43 -1.80 116.57 122.69 1fi6 h LYS 42 Ca 0.67 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.52 1fi6 h LYS 42 Cb 1.48 -0.10 -0.10 0.00 0.08 0.00 0.00 32.23 33.59 1fi6 h LYS 42 CO -0.68 0.29 -0.17 0.77 -0.57 0.00 0.00 179.45 179.09 1fi6 h SER 43 N 0.45 -0.61 0.00 0.86 0.02 0.80 -3.46 113.55 111.61 1fi6 h SER 43 Ca 0.47 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.59 1fi6 h SER 43 Cb 1.12 0.37 0.00 0.00 0.14 0.00 0.00 62.40 64.03 1fi6 h SER 43 CO -0.19 -0.21 0.00 1.17 -1.14 0.00 0.00 176.83 176.46 1fi6 n LYS 44 N -5.39 0.00 -1.62 3.45 4.81 -0.67 -5.13 118.16 113.59 1fi6 n LYS 44 Ca 0.05 0.00 -0.46 0.00 -0.87 0.00 0.00 58.31 57.03 1fi6 n LYS 44 Cb 0.30 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.32 1fi6 n LYS 44 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1fi6 n LEU 45 N 0.00 2.30 -4.68 3.14 4.77 -1.26 -4.87 117.00 116.40 1fi6 n LEU 45 Ca 0.00 1.16 -0.42 0.00 -0.03 0.00 0.00 56.01 56.71 1fi6 n LEU 45 Cb 0.00 -1.33 -0.03 0.00 -2.33 0.00 0.00 43.42 39.73 1fi6 n LEU 45 CO 0.00 -0.98 1.31 -2.16 -1.33 0.00 0.00 177.39 174.24 1fi6 s PRO 46 N -0.77 4.20 0.41 3.23 0.04 -1.26 -4.57 135.00 136.28 1fi6 s PRO 46 Ca 0.67 2.22 0.33 0.00 0.04 0.00 0.00 61.00 64.25 1fi6 s PRO 46 Cb -0.72 -3.76 1.38 0.00 0.04 0.00 0.00 34.50 31.44 1fi6 s PRO 46 CO 0.54 -0.75 1.39 1.51 0.04 0.00 0.00 177.00 179.72 1fi6 n ILE 47 N 5.02 -0.17 -0.24 0.56 3.06 -1.26 0.11 119.36 126.43 1fi6 n ILE 47 Ca 0.16 1.54 0.04 0.00 -2.50 0.00 0.00 62.75 61.99 1fi6 n ILE 47 Cb 0.42 -2.54 0.14 0.00 0.54 0.00 0.00 39.64 38.20 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 -0.32 0.07 9.51 5.85 -2.01 0.16 115.31 128.57 1fi6 h LEU 48 Ca 0.80 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 59.70 1fi6 h LEU 48 Cb 2.72 0.32 0.00 0.00 0.37 0.00 0.00 40.66 44.07 1fi6 h LEU 48 CO -0.32 -0.16 -0.04 -0.33 -0.34 0.00 0.00 178.44 177.25 1fi6 h GLU 49 N 0.11 -0.09 -0.94 1.25 4.39 0.44 -3.22 114.58 116.52 1fi6 h GLU 49 Ca 0.39 0.01 0.28 0.00 0.34 0.00 0.00 59.36 60.38 1fi6 h GLU 49 Cb 0.67 0.02 -0.16 0.00 -0.10 0.00 0.00 28.75 29.18 1fi6 h GLU 49 CO -0.63 0.33 0.25 -0.07 -1.16 0.00 0.00 179.01 177.73 1fi6 h LEU 50 N -0.55 -0.05 -0.99 1.33 -0.00 -0.88 0.23 115.31 114.40 1fi6 h LEU 50 Ca -0.01 0.23 0.36 0.00 -0.00 0.00 0.00 57.88 58.46 1fi6 h LEU 50 Cb 0.47 0.32 -0.17 0.00 -0.00 0.00 0.00 40.66 41.28 1fi6 h LEU 50 CO 0.02 -0.26 0.48 -1.28 -0.00 0.00 0.00 178.44 177.40 1fi6 h SER 51 N 0.12 0.30 -0.35 -0.43 0.87 -0.77 0.99 113.55 114.27 1fi6 h SER 51 Ca 0.63 0.23 -0.11 0.00 -1.23 0.00 0.00 61.79 61.31 1fi6 h SER 51 Cb 1.37 0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 63.56 1fi6 h SER 51 CO -0.75 -0.31 -0.18 -0.74 -0.53 0.00 0.00 176.83 174.33 1fi6 h HIS 52 N 0.13 0.92 -0.40 2.24 -0.00 -0.71 -3.21 115.15 114.12 1fi6 h HIS 52 Ca 0.77 -0.20 0.01 0.00 -0.00 0.00 0.00 60.37 60.95 1fi6 h HIS 52 Cb 1.88 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 29.04 1fi6 h HIS 52 CO -0.07 0.93 0.25 0.82 -0.00 0.00 0.00 177.93 179.86 1fi6 h ILE 53 N 0.72 1.08 -0.58 6.26 2.04 0.97 -3.03 117.51 124.97 1fi6 h ILE 53 Ca 0.11 -0.17 0.10 0.00 1.00 0.00 0.00 64.86 65.89 1fi6 h ILE 53 Cb 0.69 0.52 -0.11 0.00 -0.74 0.00 0.00 36.82 37.18 1fi6 h ILE 53 CO 0.05 0.09 -0.38 -0.25 0.00 0.00 0.00 178.15 177.66 1fi6 h TRP 54 N 0.51 -1.09 -0.44 1.37 2.91 -1.47 0.21 115.95 117.95 1fi6 h TRP 54 Ca 0.15 0.08 0.09 0.00 1.13 0.00 0.00 58.89 60.34 1fi6 h TRP 54 Cb -0.03 0.56 -0.10 0.00 -0.51 0.00 0.00 29.16 29.08 1fi6 h TRP 54 CO -0.06 -0.40 -0.27 0.93 -1.03 0.00 0.00 178.44 177.60 1fi6 h GLU 55 N -0.20 -0.18 -1.01 2.65 4.39 -1.65 1.67 114.58 120.25 1fi6 h GLU 55 Ca 0.21 0.01 0.24 0.00 0.34 0.00 0.00 59.36 60.16 1fi6 h GLU 55 Cb 0.56 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.15 1fi6 h GLU 55 CO -0.68 -0.12 0.64 -0.07 -1.16 0.00 0.00 179.01 177.62 1fi6 h LEU 56 N -0.19 0.55 0.00 1.33 4.07 -0.96 0.24 115.31 120.36 1fi6 h LEU 56 Ca 0.20 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.25 1fi6 h LEU 56 Cb 0.51 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.24 1fi6 h LEU 56 CO -0.55 0.14 -0.93 0.28 -1.08 0.00 0.00 178.44 176.31 1fi6 h SER 57 N 0.51 0.00 -1.35 -0.43 0.02 0.60 -3.38 113.55 109.52 1fi6 h SER 57 Ca 0.58 -0.05 -0.67 0.00 -0.84 0.00 0.00 61.79 60.82 1fi6 h SER 57 Cb 1.29 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.57 1fi6 h SER 57 CO -0.33 0.03 0.87 -0.67 -1.14 0.00 0.00 176.83 175.58 1fi6 n ASP 58 N -2.57 7.42 0.00 3.07 2.03 0.53 -4.58 116.55 122.45 1fi6 n ASP 58 Ca 0.01 -3.69 0.00 0.00 0.52 0.00 0.00 54.79 51.63 1fi6 n ASP 58 Cb 0.53 -1.05 0.00 0.00 -0.72 0.00 0.00 41.12 39.88 1fi6 n ASP 58 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1fi6 n PHE 59 N -0.49 0.00 -0.06 -0.67 3.01 -1.20 0.67 117.46 118.72 1fi6 n PHE 59 Ca 0.55 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.95 1fi6 n PHE 59 Cb 0.48 -0.21 -0.15 0.00 -0.01 0.00 0.00 39.48 39.59 1fi6 n PHE 59 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1fi6 n ASP 60 N -1.15 0.25 -3.00 4.37 5.75 -1.26 -4.98 116.55 116.52 1fi6 n ASP 60 Ca 0.00 0.12 -0.17 0.00 -0.01 0.00 0.00 54.79 54.72 1fi6 n ASP 60 Cb 0.08 0.82 0.07 0.00 -1.03 0.00 0.00 41.12 41.06 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 -2.77 -6.07 0.00 0.11 4.76 0.21 -4.62 118.16 109.79 1fi6 n LYS 61 Ca -0.25 0.68 0.11 0.00 -2.87 0.00 0.00 58.31 55.98 1fi6 n LYS 61 Cb 1.05 -5.25 -0.08 0.00 -1.84 0.00 0.00 35.03 28.90 1fi6 n LYS 61 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1fi6 n ASP 62 N -2.39 0.63 0.00 4.39 5.75 -1.26 -4.95 116.55 118.71 1fi6 n ASP 62 Ca -0.09 -0.52 0.00 0.00 -0.01 0.00 0.00 54.79 54.18 1fi6 n ASP 62 Cb 0.58 1.18 0.00 0.00 -1.03 0.00 0.00 41.12 41.85 1fi6 n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fi6 n GLY 63 N 1.40 0.52 2.89 6.12 0.00 -1.26 -5.03 105.19 109.83 1fi6 n GLY 63 Ca 0.01 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.30 4.61 0.00 -1.26 -3.89 121.76 118.91 1fi6 s ALA 64 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 51.96 51.80 1fi6 s ALA 64 Cb 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 1fi6 s ALA 64 CO 0.00 -0.01 0.34 -0.51 0.00 0.00 0.00 175.76 175.57 1fi6 s LEU 65 N -0.10 4.19 0.50 0.00 1.02 0.18 -4.82 118.68 119.65 1fi6 s LEU 65 Ca -0.01 0.03 -0.13 0.00 0.02 0.00 0.00 54.13 54.04 1fi6 s LEU 65 Cb -0.01 -2.34 -0.07 0.00 0.02 0.00 0.00 46.19 43.80 1fi6 s LEU 65 CO -0.00 -0.22 0.92 0.28 0.02 0.00 0.00 176.35 177.35 1fi6 s THR 66 N 1.99 4.65 0.35 5.49 -1.32 -1.26 0.15 115.64 125.70 1fi6 s THR 66 Ca 0.12 0.94 0.17 0.00 -1.21 0.00 0.00 61.69 61.71 1fi6 s THR 66 Cb -0.16 -3.75 0.35 0.00 -1.51 0.00 0.00 72.50 67.42 1fi6 s THR 66 CO 0.11 -0.71 1.61 0.25 -2.21 0.00 0.00 174.62 173.66 1fi6 h LEU 67 N 0.80 0.31 0.45 9.08 7.12 -1.60 0.98 115.31 132.46 1fi6 h LEU 67 Ca -0.46 0.24 -0.01 0.00 0.13 0.00 0.00 57.88 57.77 1fi6 h LEU 67 Cb 1.19 0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 41.56 1fi6 h LEU 67 CO 0.62 -0.34 -0.30 0.44 -0.13 0.00 0.00 178.44 178.74 1fi6 h ASP 68 N 0.10 -0.75 -0.50 1.25 3.32 -1.89 0.27 116.42 118.23 1fi6 h ASP 68 Ca 0.79 0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.94 1fi6 h ASP 68 Cb 1.97 0.23 -0.03 0.00 0.22 0.00 0.00 39.33 41.72 1fi6 h ASP 68 CO -0.73 -0.46 0.33 -0.33 -1.72 0.00 0.00 179.24 176.33 1fi6 h GLU 69 N -0.72 0.44 0.46 3.56 5.08 0.41 -0.43 114.58 123.38 1fi6 h GLU 69 Ca -0.05 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1fi6 h GLU 69 Cb 0.60 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1fi6 h GLU 69 CO 0.04 0.29 -0.22 0.35 -1.00 0.00 0.00 179.01 178.47 1fi6 h PHE 70 N 0.45 -0.58 -0.16 4.33 3.57 0.11 0.75 116.94 125.42 1fi6 h PHE 70 Ca 0.21 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.75 1fi6 h PHE 70 Cb 0.27 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 1fi6 h PHE 70 CO -0.00 -0.27 -0.19 0.00 -2.23 0.00 0.00 178.31 175.62 1fi6 h ALA 72 N 0.83 0.90 0.51 0.00 0.00 -1.10 -2.03 119.26 118.38 1fi6 h ALA 72 Ca 0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1fi6 h ALA 72 Cb 0.38 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1fi6 h ALA 72 CO -0.29 0.63 -0.25 0.00 0.00 0.00 0.00 179.25 179.34 1fi6 h ALA 73 N 1.07 -0.69 0.31 0.00 0.00 0.15 0.31 119.26 120.41 1fi6 h ALA 73 Ca 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1fi6 h ALA 73 Cb 0.38 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1fi6 h ALA 73 CO 0.00 -0.88 -0.15 0.35 0.00 0.00 0.00 179.25 178.57 1fi6 h PHE 74 N -0.70 -0.38 0.13 0.00 3.04 -0.37 0.14 116.94 118.80 1fi6 h PHE 74 Ca -0.07 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 61.89 1fi6 h PHE 74 Cb 0.54 0.13 -0.03 0.00 2.56 0.00 0.00 35.95 39.14 1fi6 h PHE 74 CO -0.04 -0.23 -0.26 1.25 -2.02 0.00 0.00 178.31 177.01 1fi6 h HIS 75 N -0.42 -0.69 -0.18 0.41 2.76 -1.37 -1.04 115.15 114.61 1fi6 h HIS 75 Ca -0.04 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.19 1fi6 h HIS 75 Cb 0.32 0.29 -0.07 0.00 1.55 0.00 0.00 27.41 29.50 1fi6 h HIS 75 CO -0.05 -0.36 -0.34 1.25 -1.30 0.00 0.00 177.93 177.12 1fi6 h LEU 76 N -0.47 -1.08 -0.85 0.26 6.46 -0.25 -0.04 115.31 119.35 1fi6 h LEU 76 Ca 0.03 0.16 0.21 0.00 -0.12 0.00 0.00 57.88 58.16 1fi6 h LEU 76 Cb 0.49 0.46 -0.13 0.00 -0.73 0.00 0.00 40.66 40.76 1fi6 h LEU 76 CO -0.14 -0.36 0.27 0.58 -0.62 0.00 0.00 178.44 178.16 1fi6 h VAL 77 N -0.39 0.42 -0.89 1.05 2.07 -0.33 0.51 116.25 118.70 1fi6 h VAL 77 Ca 0.11 -0.10 0.18 0.00 0.82 0.00 0.00 66.70 67.70 1fi6 h VAL 77 Cb 0.56 0.11 -0.11 0.00 -1.52 0.00 0.00 31.29 30.33 1fi6 h VAL 77 CO -0.40 0.05 0.45 0.58 0.02 0.00 0.00 177.57 178.27 1fi6 h VAL 78 N 0.29 0.65 -0.56 2.57 2.07 0.33 0.73 116.25 122.33 1fi6 h VAL 78 Ca 0.52 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.84 1fi6 h VAL 78 Cb 0.98 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1fi6 h VAL 78 CO -0.57 0.10 0.35 0.00 0.02 0.00 0.00 177.57 177.47 1fi6 h ALA 79 N 1.62 1.56 -0.89 1.67 0.00 0.39 -2.63 119.26 120.98 1fi6 h ALA 79 Ca 0.51 -0.06 0.24 0.00 0.00 0.00 0.00 54.91 55.61 1fi6 h ALA 79 Cb 0.82 -0.23 -0.14 0.00 0.00 0.00 0.00 17.79 18.24 1fi6 h ALA 79 CO -0.42 0.39 0.27 -0.09 0.00 0.00 0.00 179.25 179.41 1fi6 h ARG 80 N 0.77 0.22 -1.56 0.00 9.65 -0.64 0.41 114.38 123.23 1fi6 h ARG 80 Ca 0.20 -0.01 0.51 0.00 -1.10 0.00 0.00 59.98 59.58 1fi6 h ARG 80 Cb -0.05 -0.05 -0.12 0.00 -1.39 0.00 0.00 29.97 28.36 1fi6 h ARG 80 CO -0.04 0.14 1.04 -0.22 2.80 0.00 0.00 179.97 183.70 1fi6 h LYS 81 N 0.22 0.00 -0.85 0.20 3.11 -1.56 0.13 116.57 117.83 1fi6 h LYS 81 Ca 0.57 -0.00 -0.36 0.00 -2.81 0.00 0.00 60.65 58.05 1fi6 h LYS 81 Cb 1.17 -0.00 -0.40 0.00 -1.00 0.00 0.00 32.23 31.99 1fi6 h LYS 81 CO -0.65 0.00 -1.10 0.27 -2.81 0.00 0.00 179.45 175.17 1fi6 n ASN 82 N -4.51 2.08 -2.70 4.20 6.94 0.14 -4.91 115.26 116.50 1fi6 n ASN 82 Ca 0.42 -2.67 -0.06 0.00 -0.02 0.00 0.00 54.58 52.25 1fi6 n ASN 82 Cb 1.70 -0.49 0.10 0.00 -2.36 0.00 0.00 39.78 38.73 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 -0.33 -0.32 0.25 4.83 0.00 0.47 -5.00 105.19 105.09 1fi6 n GLY 83 Ca 0.14 0.39 -0.00 0.00 0.00 0.00 0.00 46.02 46.55 1fi6 n GLY 83 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1fi6 h TYR 84 N 2.65 0.53 -3.56 1.61 -1.99 -1.86 -3.41 116.97 110.93 1fi6 h TYR 84 Ca -0.20 0.03 -0.52 0.00 2.00 0.00 0.00 58.73 60.04 1fi6 h TYR 84 Cb 1.15 -0.14 0.04 0.00 2.00 0.00 0.00 36.73 39.79 1fi6 h TYR 84 CO 0.10 0.19 0.65 0.34 -0.00 0.00 0.00 178.16 179.43 1fi6 s ASP 85 N -5.46 6.86 -0.30 3.88 -1.08 -1.26 -5.03 116.67 114.28 1fi6 s ASP 85 Ca -0.13 2.51 -0.12 0.00 -0.52 0.00 0.00 52.55 54.29 1fi6 s ASP 85 Cb 0.17 -2.62 0.13 0.00 -1.46 0.00 0.00 42.92 39.13 1fi6 s ASP 85 CO 0.75 -0.52 0.72 -0.76 0.52 0.00 0.00 175.17 175.89 1fi6 s LEU 86 N -0.75 -1.01 -0.07 -1.34 1.43 -1.26 -5.10 118.68 110.58 1fi6 s LEU 86 Ca 0.54 1.42 -0.30 0.00 -1.03 0.00 0.00 54.13 54.76 1fi6 s LEU 86 Cb -0.38 2.20 -0.02 0.00 0.03 0.00 0.00 46.19 48.02 1fi6 s LEU 86 CO 0.43 -0.20 1.13 -2.16 0.23 0.00 0.00 176.35 175.78 1fi6 s PRO 87 N 2.58 4.38 0.15 1.29 0.04 -1.26 -5.00 135.00 137.18 1fi6 s PRO 87 Ca -0.06 1.57 -0.31 0.00 0.04 0.00 0.00 61.00 62.24 1fi6 s PRO 87 Cb -0.10 -3.55 -0.08 0.00 0.04 0.00 0.00 34.50 30.81 1fi6 s PRO 87 CO -0.19 -0.40 1.38 -1.83 0.04 0.00 0.00 177.00 176.01 1fi6 s GLU 88 N 2.14 4.33 -0.13 4.56 -1.05 -1.26 -4.94 118.70 122.34 1fi6 s GLU 88 Ca 0.53 2.11 0.09 0.00 -0.15 0.00 0.00 54.97 57.55 1fi6 s GLU 88 Cb -0.22 -3.21 -0.15 0.00 -0.44 0.00 0.00 34.13 30.11 1fi6 s GLU 88 CO 0.20 -0.40 0.00 1.63 0.95 0.00 0.00 175.26 177.65 1fi6 n LYS 89 N 3.42 1.58 -1.61 -4.83 4.76 -1.26 -4.97 118.16 115.26 1fi6 n LYS 89 Ca 0.10 0.02 -0.46 0.00 -2.87 0.00 0.00 58.31 55.09 1fi6 n LYS 89 Cb 0.42 -1.33 -0.04 0.00 -1.84 0.00 0.00 35.03 32.24 1fi6 n LYS 89 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1fi6 n LEU 90 N -2.58 3.26 -4.61 -0.35 7.94 -1.26 -4.91 117.00 114.49 1fi6 n LEU 90 Ca -0.23 0.62 -0.43 0.00 -1.11 0.00 0.00 56.01 54.87 1fi6 n LEU 90 Cb 0.90 -1.43 -0.02 0.00 0.53 0.00 0.00 43.42 43.39 1fi6 n LEU 90 CO 0.25 -0.33 0.95 -2.16 -1.11 0.00 0.00 177.39 174.99 1fi6 s PRO 91 N 5.24 3.81 0.58 1.96 0.04 -1.26 -4.91 135.00 140.46 1fi6 s PRO 91 Ca 0.98 0.67 0.33 0.00 0.04 0.00 0.00 61.00 63.02 1fi6 s PRO 91 Cb -0.58 -3.85 1.38 0.00 0.04 0.00 0.00 34.50 31.50 1fi6 s PRO 91 CO 0.45 -1.19 1.66 0.93 0.04 0.00 0.00 177.00 178.90 1fi6 h GLU 92 N 8.81 0.00 0.00 4.56 5.08 -2.01 0.29 114.58 131.32 1fi6 h GLU 92 Ca -0.22 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.88 1fi6 h GLU 92 Cb 1.06 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 1fi6 h GLU 92 CO 1.08 0.00 -1.99 0.45 -1.00 0.00 0.00 179.01 177.54 1fi6 n SER 93 N -3.74 0.34 -2.25 1.42 2.88 -1.26 -4.43 113.62 106.58 1fi6 n SER 93 Ca 0.22 0.16 -0.29 0.00 -1.33 0.00 0.00 58.87 57.63 1fi6 n SER 93 Cb 1.26 0.78 0.03 0.00 -0.75 0.00 0.00 64.21 65.53 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 -2.76 5.86 0.04 2.46 4.77 0.94 -4.75 117.00 123.55 1fi6 n LEU 94 Ca -0.21 -4.71 -0.09 0.00 -0.03 0.00 0.00 56.01 50.97 1fi6 n LEU 94 Cb 0.98 -0.59 -0.07 0.00 -2.33 0.00 0.00 43.42 41.41 1fi6 n LEU 94 CO 0.44 1.93 0.30 0.24 -1.33 0.00 0.00 177.39 178.97 1fi6 h MET 95 N 2.27 -0.19 -7.41 3.23 2.86 -1.51 -3.42 114.93 110.76 1fi6 h MET 95 Ca 0.44 0.01 -0.48 0.00 -2.06 0.00 0.00 59.70 57.61 1fi6 h MET 95 Cb 1.12 0.04 0.12 0.00 0.06 0.00 0.00 31.60 32.94 1fi6 h MET 95 CO 1.05 0.21 0.32 -1.25 1.06 0.00 0.00 176.91 178.30 1fi6 s PRO 96 N -2.93 1.85 0.00 -0.22 0.04 -1.26 -4.57 135.00 127.91 1fi6 s PRO 96 Ca -0.11 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.55 1fi6 s PRO 96 Cb -0.00 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1fi6 s PRO 96 CO 0.39 -1.78 0.22 1.63 0.04 0.00 0.00 177.00 177.49