#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a91 h GLU 2 N 0.00 0.65 0.03 0.03 5.08 -2.04 -1.68 114.58 116.65 1a91 h GLU 2 Ca 0.00 -0.14 -0.24 0.00 -1.00 0.00 0.00 59.36 57.98 1a91 h GLU 2 Cb 0.00 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1a91 h GLU 2 CO 0.00 0.64 -1.19 -0.91 -1.00 0.00 0.00 179.01 176.55 1a91 h ASN 3 N 0.54 0.09 -0.62 1.42 2.35 -1.99 -2.97 115.58 114.41 1a91 h ASN 3 Ca 0.14 -0.11 0.10 0.00 -0.55 0.00 0.00 56.30 55.87 1a91 h ASN 3 Cb 0.26 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 1a91 h ASN 3 CO -0.00 1.09 0.41 0.25 -1.65 0.00 0.00 177.43 177.53 1a91 h LEU 4 N 0.02 0.40 -0.10 1.61 6.46 -1.98 -0.95 115.31 120.77 1a91 h LEU 4 Ca -0.09 0.01 -0.24 0.00 -0.12 0.00 0.00 57.88 57.43 1a91 h LEU 4 Cb 1.86 -0.08 0.01 0.00 -0.73 0.00 0.00 40.66 41.72 1a91 h LEU 4 CO 0.13 0.25 -0.97 -1.13 -0.62 0.00 0.00 178.44 176.10 1a91 h ASN 5 N 0.45 0.76 0.69 1.25 -0.73 -1.15 -0.69 115.58 116.16 1a91 h ASN 5 Ca 0.28 -0.59 -0.06 0.00 1.87 0.00 0.00 56.30 57.80 1a91 h ASN 5 Cb 0.51 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.86 1a91 h ASN 5 CO -0.08 1.39 -0.29 0.24 -0.37 0.00 0.00 177.43 178.32 1a91 h MET 6 N 0.35 0.00 -0.21 6.67 2.86 -1.36 -1.02 114.93 122.22 1a91 h MET 6 Ca -0.10 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.37 1a91 h MET 6 Cb 1.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.27 1a91 h MET 6 CO 0.18 0.29 -0.55 0.22 1.06 0.00 0.00 176.91 178.12 1a91 h ASP 7 N 0.00 0.84 1.62 1.22 3.58 -0.81 -2.67 116.42 120.20 1a91 h ASP 7 Ca -0.00 -0.57 -0.06 0.00 0.42 0.00 0.00 57.03 56.82 1a91 h ASP 7 Cb 0.71 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 1a91 h ASP 7 CO 0.04 1.26 -0.27 -0.07 -2.88 0.00 0.00 179.24 177.32 1a91 h LEU 8 N 0.46 0.00 -0.15 2.28 -0.00 -1.00 -1.46 115.31 115.43 1a91 h LEU 8 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.79 1a91 h LEU 8 Cb 1.16 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.82 1a91 h LEU 8 CO 0.12 0.27 -0.23 0.25 -0.00 0.00 0.00 178.44 178.85 1a91 h LEU 9 N 0.00 0.46 -0.20 1.67 5.85 -1.19 -1.73 115.31 120.17 1a91 h LEU 9 Ca -0.00 -0.53 -0.07 0.00 0.84 0.00 0.00 57.88 58.12 1a91 h LEU 9 Cb 1.16 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 1a91 h LEU 9 CO 0.04 0.90 -0.15 0.22 -0.34 0.00 0.00 178.44 179.11 1a91 h TYR 10 N 0.04 0.53 -0.51 1.25 5.03 -1.45 -3.08 116.97 118.78 1a91 h TYR 10 Ca 0.01 -0.15 -0.00 0.00 2.58 0.00 0.00 58.73 61.17 1a91 h TYR 10 Cb 0.80 -0.12 -0.03 0.00 1.55 0.00 0.00 36.73 38.94 1a91 h TYR 10 CO 0.09 0.78 0.31 1.98 -1.32 0.00 0.00 178.16 180.00 1a91 h MET 11 N 0.13 0.68 0.29 1.82 4.05 -1.33 -2.71 114.93 117.87 1a91 h MET 11 Ca 0.04 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1a91 h MET 11 Cb 0.67 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.32 1a91 h MET 11 CO 0.04 0.48 -0.14 0.00 0.23 0.00 0.00 176.91 177.52 1a91 h ALA 12 N 1.64 -0.39 -0.65 0.39 0.00 -1.22 -2.01 119.26 117.02 1a91 h ALA 12 Ca 0.18 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1a91 h ALA 12 Cb -0.03 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1a91 h ALA 12 CO -0.04 -0.71 0.43 0.00 0.00 0.00 0.00 179.25 178.94 1a91 h ALA 13 N 0.28 1.63 0.00 0.00 0.00 -1.52 -1.36 119.26 118.29 1a91 h ALA 13 Ca -0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1a91 h ALA 13 Cb 0.32 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1a91 h ALA 13 CO 0.07 0.31 -0.88 0.00 0.00 0.00 0.00 179.25 178.74 1a91 h ALA 14 N 1.62 0.65 0.00 0.00 0.00 -1.24 0.60 119.26 120.89 1a91 h ALA 14 Ca 0.26 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1a91 h ALA 14 Cb 0.05 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1a91 h ALA 14 CO -0.07 0.32 -1.03 0.28 0.00 0.00 0.00 179.25 178.75 1a91 h VAL 15 N 0.00 0.99 0.00 0.00 2.07 -1.34 -2.79 116.25 115.18 1a91 h VAL 15 Ca -0.04 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 64.93 1a91 h VAL 15 Cb 1.20 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1a91 h VAL 15 CO 0.02 0.57 0.00 0.80 0.02 0.00 0.00 177.57 178.98 1a91 n MET 16 N -3.15 0.00 0.00 1.57 0.00 -0.52 -3.19 117.12 111.83 1a91 n MET 16 Ca -0.04 0.37 0.15 0.00 0.00 0.00 0.00 57.70 58.18 1a91 n MET 16 Cb 0.86 -0.87 0.71 0.00 0.00 0.00 0.00 33.22 33.93 1a91 n MET 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1a91 n MET 17 N -1.82 0.48 0.09 2.12 0.00 0.18 -1.44 117.12 116.72 1a91 n MET 17 Ca 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 57.70 57.53 1a91 n MET 17 Cb 0.00 -1.50 -0.07 0.00 0.00 0.00 0.00 33.22 31.65 1a91 n MET 17 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1a91 h GLY 18 N 4.99 -0.30 0.78 3.17 0.00 -1.57 -3.04 103.07 107.10 1a91 h GLY 18 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1a91 h GLY 18 CO 0.00 -0.11 -0.12 -2.00 0.00 0.00 0.00 176.54 174.31 1a91 h LEU 19 N -0.87 -0.29 0.01 3.11 6.46 -1.49 -3.18 115.31 119.05 1a91 h LEU 19 Ca -0.03 -0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.56 1a91 h LEU 19 Cb 0.51 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 1a91 h LEU 19 CO 0.05 -0.02 -0.12 0.00 -0.62 0.00 0.00 178.44 177.72 1a91 h ALA 20 N 0.11 0.00 -0.56 1.25 0.00 -1.42 -1.69 119.26 116.95 1a91 h ALA 20 Ca -0.04 -0.46 0.10 0.00 0.00 0.00 0.00 54.91 54.51 1a91 h ALA 20 Cb 0.42 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1a91 h ALA 20 CO 0.06 0.01 0.38 0.00 0.00 0.00 0.00 179.25 179.70 1a91 h ALA 21 N 0.16 2.09 0.09 0.00 0.00 -1.70 -0.25 119.26 119.65 1a91 h ALA 21 Ca -0.02 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.61 1a91 h ALA 21 Cb 0.96 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1a91 h ALA 21 CO 0.02 -0.22 -1.30 -0.84 0.00 0.00 0.00 179.25 176.91 1a91 h ILE 22 N 0.32 1.41 -0.64 0.00 -0.00 -1.60 -2.26 117.51 114.75 1a91 h ILE 22 Ca 0.26 -3.05 -0.05 0.00 -0.00 0.00 0.00 64.86 62.02 1a91 h ILE 22 Cb 0.60 2.84 -0.03 0.00 -0.00 0.00 0.00 36.82 40.23 1a91 h ILE 22 CO -0.06 0.87 0.18 1.23 -0.00 0.00 0.00 178.15 180.37 1a91 h GLY 23 N 2.02 1.06 0.06 0.16 0.00 -0.55 -0.93 103.07 104.89 1a91 h GLY 23 Ca -0.15 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.57 1a91 h GLY 23 CO 0.17 0.58 -0.06 0.00 0.00 0.00 0.00 176.54 177.23 1a91 h ALA 24 N 1.25 -0.80 -0.95 3.60 0.00 -1.19 -3.22 119.26 117.95 1a91 h ALA 24 Ca 0.21 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.24 1a91 h ALA 24 Cb 0.30 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 1a91 h ALA 24 CO -0.00 -0.80 0.60 0.00 0.00 0.00 0.00 179.25 179.05 1a91 h ALA 25 N -1.65 1.69 -0.15 0.00 0.00 -0.66 -0.81 119.26 117.69 1a91 h ALA 25 Ca -0.01 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1a91 h ALA 25 Cb 0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1a91 h ALA 25 CO -0.01 0.04 -0.25 0.82 0.00 0.00 0.00 179.25 179.86 1a91 h ILE 26 N 0.82 1.36 0.03 0.00 1.08 -1.37 -2.52 117.51 116.91 1a91 h ILE 26 Ca 0.49 -1.49 -0.22 0.00 -0.39 0.00 0.00 64.86 63.24 1a91 h ILE 26 Cb 0.66 1.97 -0.00 0.00 -3.07 0.00 0.00 36.82 36.38 1a91 h ILE 26 CO -0.25 0.44 -0.98 1.23 -0.69 0.00 0.00 178.15 177.90 1a91 h GLY 27 N 0.04 0.29 2.00 5.37 0.00 -1.18 0.11 103.07 109.71 1a91 h GLY 27 Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1a91 h GLY 27 CO 0.06 0.50 0.00 0.29 0.00 0.00 0.00 176.54 177.39 1a91 n ILE 28 N -3.64 0.45 -0.03 2.60 -5.35 -0.81 0.01 119.36 112.59 1a91 n ILE 28 Ca -0.05 0.07 -0.13 0.00 -0.27 0.00 0.00 62.75 62.37 1a91 n ILE 28 Cb 0.87 -0.72 -0.11 0.00 -1.74 0.00 0.00 39.64 37.94 1a91 n ILE 28 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1a91 h GLY 29 N 3.93 -0.04 0.00 3.28 0.00 -0.93 -2.86 103.07 106.45 1a91 h GLY 29 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1a91 h GLY 29 CO 0.00 -0.01 0.00 1.39 0.00 0.00 0.00 176.54 177.92 1a91 n ILE 30 N -4.74 0.00 -0.16 2.60 5.41 0.31 -2.07 119.36 120.71 1a91 n ILE 30 Ca -0.09 1.17 -0.06 0.00 1.00 0.00 0.00 62.75 64.77 1a91 n ILE 30 Cb 0.35 -2.14 0.11 0.00 -0.71 0.00 0.00 39.64 37.26 1a91 n ILE 30 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1a91 h LEU 31 N 0.00 0.88 -0.20 1.39 6.46 -0.65 -0.90 115.31 122.30 1a91 h LEU 31 Ca 0.00 -0.22 -0.01 0.00 -0.12 0.00 0.00 57.88 57.54 1a91 h LEU 31 Cb 0.00 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 39.69 1a91 h LEU 31 CO 0.00 0.93 -0.03 1.23 -0.62 0.00 0.00 178.44 179.94 1a91 h GLY 32 N 1.00 0.00 1.40 3.75 0.00 -1.52 -0.73 103.07 106.97 1a91 h GLY 32 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.18 1a91 h GLY 32 CO 0.02 0.00 -1.38 -1.33 0.00 0.00 0.00 176.54 173.84 1a91 h GLY 33 N 3.70 0.51 2.00 4.60 0.00 -0.94 -3.30 103.07 109.64 1a91 h GLY 33 Ca -0.00 -1.30 0.00 0.00 0.00 0.00 0.00 47.33 46.03 1a91 h GLY 33 CO 0.00 1.13 0.00 0.50 0.00 0.00 0.00 176.54 178.18 1a91 h LYS 34 N 0.13 0.00 -0.41 4.80 1.57 -1.13 -3.33 116.57 118.19 1a91 h LYS 34 Ca -0.21 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.47 1a91 h LYS 34 Cb 2.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.39 1a91 h LYS 34 CO 0.25 0.00 -0.13 0.35 -0.57 0.00 0.00 179.45 179.35 1a91 h PHE 35 N 0.00 0.93 0.00 -1.35 3.04 -1.20 -2.64 116.94 115.72 1a91 h PHE 35 Ca 0.00 -0.21 0.00 0.00 3.98 0.00 0.00 57.97 61.74 1a91 h PHE 35 Cb 0.94 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 39.23 1a91 h PHE 35 CO 0.00 0.95 0.00 -0.11 -2.02 0.00 0.00 178.31 177.13 1a91 n LEU 36 N -4.28 0.00 -0.04 0.59 0.00 -1.25 -1.54 117.00 110.48 1a91 n LEU 36 Ca -0.01 0.42 -0.15 0.00 0.00 0.00 0.00 56.01 56.27 1a91 n LEU 36 Cb 0.39 -0.42 -0.04 0.00 0.00 0.00 0.00 43.42 43.35 1a91 n LEU 36 CO 0.44 -0.08 0.37 -0.33 0.00 0.00 0.00 177.39 177.78 1a91 h GLU 37 N 0.00 0.80 -0.34 1.96 4.39 -1.61 -2.16 114.58 117.62 1a91 h GLU 37 Ca 0.00 -0.57 -0.10 0.00 0.34 0.00 0.00 59.36 59.03 1a91 h GLU 37 Cb 0.34 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1a91 h GLU 37 CO 0.00 1.19 -0.18 0.78 -1.16 0.00 0.00 179.01 179.64 1a91 h GLY 38 N 0.70 0.79 2.00 -3.84 0.00 -1.32 -3.19 103.07 98.21 1a91 h GLY 38 Ca -0.02 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 1a91 h GLY 38 CO 0.14 0.65 -0.02 0.00 0.00 0.00 0.00 176.54 177.31 1a91 h ALA 39 N 0.77 1.01 0.10 3.60 0.00 -1.28 -2.96 119.26 120.50 1a91 h ALA 39 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1a91 h ALA 39 Cb 0.73 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1a91 h ALA 39 CO 0.05 0.03 -0.05 0.00 0.00 0.00 0.00 179.25 179.29 1a91 h ALA 40 N 1.98 -0.14 0.00 0.00 0.00 -1.37 -3.30 119.26 116.42 1a91 h ALA 40 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1a91 h ALA 40 Cb 0.54 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1a91 h ALA 40 CO 0.00 -0.30 -0.32 0.07 0.00 0.00 0.00 179.25 178.71 1a91 h ARG 41 N -0.70 0.00 -7.48 0.00 -0.00 -1.66 -3.44 114.38 101.10 1a91 h ARG 41 Ca -0.01 0.00 -0.47 0.00 -0.00 0.00 0.00 59.98 59.50 1a91 h ARG 41 Cb 0.54 0.00 0.09 0.00 -0.00 0.00 0.00 29.97 30.60 1a91 h ARG 41 CO 0.02 0.00 0.34 -0.65 -0.00 0.00 0.00 179.97 179.68 1a91 s GLN 42 N -3.24 2.12 0.49 0.08 1.11 -1.12 -5.05 119.66 114.06 1a91 s GLN 42 Ca 0.05 -0.00 -0.21 0.00 0.01 0.00 0.00 55.36 55.21 1a91 s GLN 42 Cb 0.08 -2.04 -0.07 0.00 -1.01 0.00 0.00 33.01 29.96 1a91 s GLN 42 CO 0.70 -1.41 1.10 -1.25 0.01 0.00 0.00 175.29 174.44 1a91 s PRO 43 N -5.43 3.69 -0.27 2.91 0.04 -1.26 -4.85 135.00 129.82 1a91 s PRO 43 Ca 0.61 1.57 -0.02 0.00 0.04 0.00 0.00 61.00 63.20 1a91 s PRO 43 Cb -0.11 -2.20 0.08 0.00 0.04 0.00 0.00 34.50 32.31 1a91 s PRO 43 CO 0.48 -0.57 2.42 -0.25 0.04 0.00 0.00 177.00 179.12 1a91 n ASP 44 N -0.84 6.16 0.00 6.66 8.00 -1.26 -4.31 116.55 130.97 1a91 n ASP 44 Ca 0.09 -2.94 0.00 0.00 0.71 0.00 0.00 54.79 52.65 1a91 n ASP 44 Cb 0.50 -1.16 0.00 0.00 -0.02 0.00 0.00 41.12 40.44 1a91 n ASP 44 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1a91 n LEU 45 N 0.92 0.75 0.03 0.64 7.94 -1.26 -4.49 117.00 121.53 1a91 n LEU 45 Ca 0.32 0.04 -0.07 0.00 -1.11 0.00 0.00 56.01 55.19 1a91 n LEU 45 Cb 0.60 -0.11 -0.05 0.00 0.53 0.00 0.00 43.42 44.39 1a91 n LEU 45 CO 0.28 -0.11 0.22 0.40 -1.11 0.00 0.00 177.39 177.07 1a91 h ILE 46 N 0.00 0.50 -0.05 1.96 1.08 -2.00 -3.34 117.51 115.67 1a91 h ILE 46 Ca 0.00 -1.13 0.00 0.00 -0.39 0.00 0.00 64.86 63.34 1a91 h ILE 46 Cb 0.00 0.90 0.00 0.00 -3.07 0.00 0.00 36.82 34.65 1a91 h ILE 46 CO 0.00 0.15 0.00 -0.81 -0.69 0.00 0.00 178.15 176.80 1a91 n PRO 47 N -4.88 1.14 0.10 2.37 -0.04 -1.26 -2.45 135.00 129.98 1a91 n PRO 47 Ca -0.05 -0.21 -0.15 0.00 -0.04 0.00 0.00 63.50 63.04 1a91 n PRO 47 Cb 0.19 -1.17 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 1a91 n PRO 47 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1a91 h LEU 48 N 0.38 0.39 -0.46 1.53 5.85 -1.79 -1.21 115.31 120.00 1a91 h LEU 48 Ca 0.00 -0.44 -0.16 0.00 0.84 0.00 0.00 57.88 58.12 1a91 h LEU 48 Cb 0.08 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1a91 h LEU 48 CO 0.00 1.35 -0.51 0.17 -0.34 0.00 0.00 178.44 179.11 1a91 h LEU 49 N 0.07 0.77 -1.02 2.25 8.10 -1.62 -3.01 115.31 120.86 1a91 h LEU 49 Ca -0.14 -0.40 -0.04 0.00 0.11 0.00 0.00 57.88 57.41 1a91 h LEU 49 Cb 1.97 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 41.96 1a91 h LEU 49 CO 0.19 1.14 -0.18 -0.09 -4.11 0.00 0.00 178.44 175.40 1a91 h ARG 50 N 0.55 0.00 -0.27 0.17 1.12 -1.49 -1.70 114.38 112.76 1a91 h ARG 50 Ca 0.02 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.88 1a91 h ARG 50 Cb 1.07 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.02 1a91 h ARG 50 CO 0.10 0.18 0.11 1.15 -3.11 0.00 0.00 179.97 178.41 1a91 h THR 51 N 0.00 1.17 0.05 0.20 2.02 -1.08 -2.78 112.91 112.49 1a91 h THR 51 Ca -0.00 -0.50 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 1a91 h THR 51 Cb 0.76 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1a91 h THR 51 CO 0.02 0.17 -0.03 0.06 0.37 0.00 0.00 175.52 176.12 1a91 h GLN 52 N 0.29 -0.07 -1.54 6.66 3.07 -1.44 -2.88 115.11 119.20 1a91 h GLN 52 Ca 0.09 0.00 0.45 0.00 0.09 0.00 0.00 58.65 59.29 1a91 h GLN 52 Cb 0.16 0.02 -0.08 0.00 0.08 0.00 0.00 27.48 27.66 1a91 h GLN 52 CO -0.01 0.24 1.09 0.35 0.09 0.00 0.00 178.83 180.59 1a91 h PHE 53 N -0.38 0.12 0.05 0.06 3.57 -1.34 -1.03 116.94 118.00 1a91 h PHE 53 Ca -0.01 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1a91 h PHE 53 Cb 0.34 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1a91 h PHE 53 CO 0.03 -0.03 -0.03 0.74 -2.23 0.00 0.00 178.31 176.79 1a91 h PHE 54 N 0.03 -0.07 0.00 0.41 0.04 -1.27 -1.63 116.94 114.46 1a91 h PHE 54 Ca 0.77 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.51 1a91 h PHE 54 Cb 2.93 0.02 -0.00 0.00 2.20 0.00 0.00 35.95 41.10 1a91 h PHE 54 CO -0.00 0.52 -0.12 -0.84 -0.60 0.00 0.00 178.31 177.27 1a91 h ILE 55 N -0.91 0.53 -0.07 -0.55 3.07 -1.19 -2.36 117.51 116.02 1a91 h ILE 55 Ca -0.01 -0.54 -0.24 0.00 1.55 0.00 0.00 64.86 65.62 1a91 h ILE 55 Cb 0.62 1.36 0.02 0.00 -0.27 0.00 0.00 36.82 38.54 1a91 h ILE 55 CO 0.01 0.11 -0.90 0.58 -1.05 0.00 0.00 178.15 176.90 1a91 h VAL 56 N 0.00 1.28 -0.41 0.16 2.07 -1.45 -1.84 116.25 116.06 1a91 h VAL 56 Ca -0.00 -2.10 0.12 0.00 0.82 0.00 0.00 66.70 65.53 1a91 h VAL 56 Cb 0.35 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 1a91 h VAL 56 CO 0.02 0.66 0.34 -0.03 0.02 0.00 0.00 177.57 178.57 1a91 h MET 57 N 0.45 0.00 -0.01 1.57 1.85 -0.75 -1.95 114.93 116.08 1a91 h MET 57 Ca -0.09 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.00 1a91 h MET 57 Cb 1.55 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.58 1a91 h MET 57 CO 0.18 0.00 -0.74 0.41 -0.40 0.00 0.00 176.91 176.36 1a91 n GLY 58 N -1.56 -0.48 0.11 1.39 0.00 -1.07 -3.63 105.19 99.95 1a91 n GLY 58 Ca 0.07 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 1a91 n GLY 58 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a91 h LEU 59 N 1.22 0.45 -0.43 0.99 3.38 -0.58 -3.28 115.31 117.07 1a91 h LEU 59 Ca 0.00 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 1a91 h LEU 59 Cb 0.63 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1a91 h LEU 59 CO 0.00 1.42 -0.03 -0.37 0.09 0.00 0.00 178.44 179.56 1a91 h VAL 60 N 0.08 0.05 -0.22 1.22 -1.51 -1.62 -2.57 116.25 111.68 1a91 h VAL 60 Ca -0.19 -0.92 -0.10 0.00 -1.23 0.00 0.00 66.70 64.27 1a91 h VAL 60 Cb 2.01 1.88 -0.00 0.00 -2.13 0.00 0.00 31.29 33.04 1a91 h VAL 60 CO 0.19 0.03 -0.24 -0.78 -1.23 0.00 0.00 177.57 175.54 1a91 h ASP 61 N 0.00 0.59 0.96 4.19 1.82 -1.64 -3.33 116.42 119.01 1a91 h ASP 61 Ca -0.00 -0.48 -0.15 0.00 -0.39 0.00 0.00 57.03 56.00 1a91 h ASP 61 Cb 0.88 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.69 1a91 h ASP 61 CO 0.00 0.96 -1.11 0.00 -1.61 0.00 0.00 179.24 177.48 1a91 h ALA 62 N 0.65 0.65 -0.40 -0.78 0.00 -1.60 -3.40 119.26 114.38 1a91 h ALA 62 Ca 0.03 -0.73 0.08 0.00 0.00 0.00 0.00 54.91 54.30 1a91 h ALA 62 Cb 0.80 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 1a91 h ALA 62 CO 0.06 0.84 -0.24 0.82 0.00 0.00 0.00 179.25 180.73 1a91 h ILE 63 N 0.00 0.35 -0.00 0.00 1.08 -1.57 -1.92 117.51 115.45 1a91 h ILE 63 Ca -0.11 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1a91 h ILE 63 Cb 1.53 0.35 0.00 0.00 -3.07 0.00 0.00 36.82 35.63 1a91 h ILE 63 CO 0.06 0.00 -0.22 -0.81 -0.69 0.00 0.00 178.15 176.48 1a91 n PRO 64 N -5.40 0.05 -0.03 2.37 -0.04 -1.26 -2.22 135.00 128.48 1a91 n PRO 64 Ca 0.02 -0.02 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 1a91 n PRO 64 Cb 0.31 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.14 1a91 n PRO 64 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1a91 h MET 65 N 0.04 0.16 0.06 0.54 2.86 -1.75 -3.04 114.93 113.80 1a91 h MET 65 Ca 0.00 -0.27 -0.25 0.00 -2.06 0.00 0.00 59.70 57.12 1a91 h MET 65 Cb 0.49 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1a91 h MET 65 CO 0.00 1.13 -1.20 0.97 1.06 0.00 0.00 176.91 178.87 1a91 h ILE 66 N -0.52 1.51 0.00 -1.22 -0.00 -1.33 -0.54 117.51 115.41 1a91 h ILE 66 Ca -0.30 -3.17 -0.14 0.00 -0.00 0.00 0.00 64.86 61.24 1a91 h ILE 66 Cb 1.60 2.85 -0.02 0.00 -0.00 0.00 0.00 36.82 41.24 1a91 h ILE 66 CO -0.02 0.90 -0.68 0.00 -0.00 0.00 0.00 178.15 178.35 1a91 h ALA 67 N 0.78 0.66 0.00 0.18 0.00 -1.61 -0.78 119.26 118.48 1a91 h ALA 67 Ca -0.10 -0.62 -0.20 0.00 0.00 0.00 0.00 54.91 53.98 1a91 h ALA 67 Cb 1.89 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 1a91 h ALA 67 CO 0.16 0.85 -1.08 0.28 0.00 0.00 0.00 179.25 179.46 1a91 h VAL 68 N 0.00 1.32 0.00 0.00 2.07 -1.54 -2.51 116.25 115.59 1a91 h VAL 68 Ca -0.01 -2.98 0.00 0.00 0.82 0.00 0.00 66.70 64.53 1a91 h VAL 68 Cb 1.40 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.80 1a91 h VAL 68 CO 0.09 0.75 0.00 1.23 0.02 0.00 0.00 177.57 179.66 1a91 h GLY 69 N 3.23 0.00 1.59 2.17 0.00 -0.91 -0.58 103.07 108.57 1a91 h GLY 69 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.00 1a91 h GLY 69 CO 0.10 0.00 -1.12 -2.00 0.00 0.00 0.00 176.54 173.52 1a91 h LEU 70 N 0.00 0.47 -0.64 3.11 6.46 -1.18 -2.22 115.31 121.31 1a91 h LEU 70 Ca 0.00 -0.45 -0.15 0.00 -0.12 0.00 0.00 57.88 57.16 1a91 h LEU 70 Cb 0.85 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 1a91 h LEU 70 CO 0.00 1.30 -0.62 1.23 -0.62 0.00 0.00 178.44 179.74 1a91 h GLY 71 N 1.42 0.24 2.00 3.75 0.00 -1.03 -2.13 103.07 107.32 1a91 h GLY 71 Ca -0.11 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 1a91 h GLY 71 CO 0.19 0.28 -0.31 1.41 0.00 0.00 0.00 176.54 178.11 1a91 h LEU 72 N 0.16 0.00 0.16 3.11 3.38 -1.17 -2.81 115.31 118.14 1a91 h LEU 72 Ca -0.01 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 1a91 h LEU 72 Cb 1.13 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.90 1a91 h LEU 72 CO 0.09 0.31 -0.92 0.22 0.09 0.00 0.00 178.44 178.23 1a91 h TYR 73 N 0.00 0.62 0.00 1.13 3.20 -1.10 -2.83 116.97 118.00 1a91 h TYR 73 Ca -0.00 -0.45 -0.09 0.00 3.14 0.00 0.00 58.73 61.32 1a91 h TYR 73 Cb 1.16 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 1a91 h TYR 73 CO 0.00 1.35 -0.45 0.28 -1.64 0.00 0.00 178.16 177.70 1a91 h VAL 74 N -0.29 0.92 0.00 1.81 2.07 -1.50 -2.70 116.25 116.57 1a91 h VAL 74 Ca -0.16 -1.85 -0.19 0.00 0.82 0.00 0.00 66.70 65.32 1a91 h VAL 74 Cb 1.73 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 33.62 1a91 h VAL 74 CO 0.17 0.44 -0.86 -0.03 0.02 0.00 0.00 177.57 177.31 1a91 h MET 75 N 0.00 0.07 -0.15 1.57 1.85 -1.56 -2.59 114.93 114.12 1a91 h MET 75 Ca -0.00 -0.08 -0.13 0.00 -0.61 0.00 0.00 59.70 58.88 1a91 h MET 75 Cb 1.10 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 33.15 1a91 h MET 75 CO 0.06 0.88 -0.45 0.35 -0.40 0.00 0.00 176.91 177.36 1a91 h PHE 76 N 0.04 0.45 0.00 1.39 3.57 -1.39 -1.88 116.94 119.11 1a91 h PHE 76 Ca -0.02 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.31 1a91 h PHE 76 Cb 1.50 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 40.14 1a91 h PHE 76 CO 0.01 0.76 -0.16 0.00 -2.23 0.00 0.00 178.31 176.69 1a91 h ALA 77 N 1.22 0.94 0.01 2.41 0.00 -1.14 -3.24 119.26 119.46 1a91 h ALA 77 Ca 0.02 -0.15 -0.27 0.00 0.00 0.00 0.00 54.91 54.51 1a91 h ALA 77 Cb 0.91 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1a91 h ALA 77 CO 0.08 0.21 -1.50 0.28 0.00 0.00 0.00 179.25 178.31 1a91 n VAL 78 N -3.20 1.55 1.56 0.00 0.31 -1.01 -5.09 118.33 112.45 1a91 n VAL 78 Ca 0.02 -0.12 0.13 0.00 -0.01 0.00 0.00 64.34 64.35 1a91 n VAL 78 Cb 0.50 -2.00 0.74 0.00 -0.91 0.00 0.00 33.84 32.18 1a91 n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51