#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 0.00 0.07 0.03 4.11 -2.05 -1.79 114.58 114.95 1a91 h GLU 2 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.11 1a91 h GLU 2 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1a91 h GLU 2 CO 0.00 0.36 -1.77 -0.91 0.07 0.00 0.00 179.01 176.76 1a91 h ASN 3 N 0.00 0.24 -0.41 3.06 4.21 -2.01 -2.94 115.58 117.72 1a91 h ASN 3 Ca -0.00 -0.47 0.10 0.00 1.21 0.00 0.00 56.30 57.13 1a91 h ASN 3 Cb 0.81 -0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 37.91 1a91 h ASN 3 CO 0.05 1.42 0.29 0.25 -1.29 0.00 0.00 177.43 178.14 1a91 h LEU 4 N 0.04 0.09 0.00 1.61 5.85 -1.98 -0.74 115.31 120.18 1a91 h LEU 4 Ca -0.33 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.14 1a91 h LEU 4 Cb 2.02 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 43.04 1a91 h LEU 4 CO 0.10 0.05 -1.12 -1.13 -0.34 0.00 0.00 178.44 176.00 1a91 h ASN 5 N 0.10 0.47 0.86 1.25 -0.73 -1.32 -1.03 115.58 115.17 1a91 h ASN 5 Ca 0.19 -0.44 -0.08 0.00 1.87 0.00 0.00 56.30 57.84 1a91 h ASN 5 Cb 0.63 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 39.06 1a91 h ASN 5 CO -0.02 1.30 -0.39 0.24 -0.37 0.00 0.00 177.43 178.19 1a91 h MET 6 N 0.13 0.00 -0.12 6.67 2.86 -1.30 -1.64 114.93 121.53 1a91 h MET 6 Ca -0.11 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.36 1a91 h MET 6 Cb 1.81 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.46 1a91 h MET 6 CO 0.19 0.39 -0.62 0.22 1.06 0.00 0.00 176.91 178.15 1a91 h ASP 7 N 0.00 0.48 -0.11 1.22 3.58 -0.96 -2.60 116.42 118.04 1a91 h ASP 7 Ca -0.00 -0.28 -0.05 0.00 0.42 0.00 0.00 57.03 57.11 1a91 h ASP 7 Cb 0.92 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.83 1a91 h ASP 7 CO 0.05 0.98 -0.13 0.25 -2.88 0.00 0.00 179.24 177.52 1a91 h LEU 8 N 0.31 0.31 -0.84 2.28 6.46 -0.90 -2.25 115.31 120.67 1a91 h LEU 8 Ca -0.01 -0.50 -0.04 0.00 -0.12 0.00 0.00 57.88 57.21 1a91 h LEU 8 Cb 1.16 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.97 1a91 h LEU 8 CO 0.11 0.74 0.32 -0.07 -0.62 0.00 0.00 178.44 178.92 1a91 h LEU 9 N -0.12 1.08 -0.04 2.25 4.07 -1.36 -0.58 115.31 120.60 1a91 h LEU 9 Ca 0.02 -0.16 -0.02 0.00 0.08 0.00 0.00 57.88 57.80 1a91 h LEU 9 Cb 0.66 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 42.12 1a91 h LEU 9 CO 0.03 0.95 -0.04 0.22 -1.08 0.00 0.00 178.44 178.52 1a91 h TYR 10 N 1.14 0.12 0.00 1.13 5.03 -1.48 -3.14 116.97 119.77 1a91 h TYR 10 Ca 0.26 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.54 1a91 h TYR 10 Cb 0.20 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.45 1a91 h TYR 10 CO 0.02 0.55 0.00 0.52 -1.32 0.00 0.00 178.16 177.92 1a91 h MET 11 N -0.34 0.00 0.12 1.82 2.86 -1.34 -2.67 114.93 115.39 1a91 h MET 11 Ca 0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1a91 h MET 11 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1a91 h MET 11 CO 0.01 0.00 -0.06 0.00 1.06 0.00 0.00 176.91 177.92 1a91 h ALA 12 N 2.15 -0.17 -0.01 6.32 0.00 -1.05 -2.18 119.26 124.32 1a91 h ALA 12 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1a91 h ALA 12 Cb 0.49 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1a91 h ALA 12 CO 0.00 -0.45 0.05 0.00 0.00 0.00 0.00 179.25 178.85 1a91 h ALA 13 N 0.38 1.13 0.03 0.00 0.00 -1.47 0.52 119.26 119.85 1a91 h ALA 13 Ca -0.02 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 1a91 h ALA 13 Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1a91 h ALA 13 CO 0.03 -0.05 -1.36 0.00 0.00 0.00 0.00 179.25 177.87 1a91 h ALA 14 N 1.91 0.47 0.21 0.00 0.00 -1.14 -2.14 119.26 118.57 1a91 h ALA 14 Ca 0.00 -1.14 -0.29 0.00 0.00 0.00 0.00 54.91 53.48 1a91 h ALA 14 Cb 0.10 0.16 0.03 0.00 0.00 0.00 0.00 17.79 18.07 1a91 h ALA 14 CO -0.00 1.34 -1.30 0.28 0.00 0.00 0.00 179.25 179.57 1a91 h VAL 15 N 0.02 1.31 0.05 0.00 2.07 -1.13 -2.93 116.25 115.63 1a91 h VAL 15 Ca -0.15 -2.62 -0.14 0.00 0.82 0.00 0.00 66.70 64.61 1a91 h VAL 15 Cb 1.91 3.05 0.01 0.00 -1.52 0.00 0.00 31.29 34.74 1a91 h VAL 15 CO 0.12 0.78 -0.58 -0.03 0.02 0.00 0.00 177.57 177.88 1a91 h MET 16 N -0.04 0.31 0.00 1.57 -1.53 -1.00 -1.20 114.93 113.03 1a91 h MET 16 Ca -0.23 -0.40 -0.01 0.00 -3.44 0.00 0.00 59.70 55.62 1a91 h MET 16 Cb 1.98 0.13 -0.00 0.00 -0.55 0.00 0.00 31.60 33.16 1a91 h MET 16 CO 0.22 1.12 -0.13 0.52 0.14 0.00 0.00 176.91 178.77 1a91 h MET 17 N -0.31 0.00 -0.14 0.39 2.07 -1.56 -1.88 114.93 113.49 1a91 h MET 17 Ca -0.09 0.00 -0.21 0.00 -2.07 0.00 0.00 59.70 57.34 1a91 h MET 17 Cb 1.36 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.09 1a91 h MET 17 CO 0.11 0.03 -0.74 0.78 1.07 0.00 0.00 176.91 178.16 1a91 h GLY 18 N 3.97 0.73 0.88 8.32 0.00 -1.56 -3.13 103.07 112.27 1a91 h GLY 18 Ca -0.00 -1.02 -0.03 0.00 0.00 0.00 0.00 47.33 46.29 1a91 h GLY 18 CO 0.00 0.91 -0.25 -2.00 0.00 0.00 0.00 176.54 175.20 1a91 h LEU 19 N 0.46 -0.59 0.02 3.11 5.85 -0.99 -3.12 115.31 120.05 1a91 h LEU 19 Ca -0.04 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 1a91 h LEU 19 Cb 1.35 0.15 0.01 0.00 0.37 0.00 0.00 40.66 42.54 1a91 h LEU 19 CO 0.14 -0.33 -0.37 0.00 -0.34 0.00 0.00 178.44 177.54 1a91 h ALA 20 N -0.43 0.02 -0.28 1.25 0.00 -1.46 -2.36 119.26 116.01 1a91 h ALA 20 Ca -0.07 -0.52 0.08 0.00 0.00 0.00 0.00 54.91 54.40 1a91 h ALA 20 Cb 0.59 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1a91 h ALA 20 CO 0.12 0.17 0.25 0.00 0.00 0.00 0.00 179.25 179.79 1a91 h ALA 21 N 0.23 2.06 0.05 0.00 0.00 -1.71 -0.39 119.26 119.50 1a91 h ALA 21 Ca -0.05 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.60 1a91 h ALA 21 Cb 1.15 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1a91 h ALA 21 CO 0.07 -0.40 -1.25 0.82 0.00 0.00 0.00 179.25 178.49 1a91 h ILE 22 N 0.00 1.44 -0.12 0.00 5.03 -1.47 -1.06 117.51 121.33 1a91 h ILE 22 Ca 0.13 -3.13 -0.09 0.00 -0.12 0.00 0.00 64.86 61.66 1a91 h ILE 22 Cb 0.63 2.80 -0.01 0.00 -3.03 0.00 0.00 36.82 37.21 1a91 h ILE 22 CO -0.00 0.86 -0.33 1.23 -0.68 0.00 0.00 178.15 179.24 1a91 h GLY 23 N 2.49 0.26 0.27 5.37 0.00 -0.82 -2.64 103.07 108.01 1a91 h GLY 23 Ca -0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1a91 h GLY 23 CO 0.15 0.20 -0.17 0.00 0.00 0.00 0.00 176.54 176.72 1a91 h ALA 24 N 1.45 -1.03 -0.66 3.60 0.00 -1.08 -3.24 119.26 118.31 1a91 h ALA 24 Ca 0.03 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.00 1a91 h ALA 24 Cb 0.69 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1a91 h ALA 24 CO 0.05 -1.01 0.45 0.00 0.00 0.00 0.00 179.25 178.74 1a91 h ALA 25 N -1.66 2.25 0.03 0.00 0.00 -0.94 -0.25 119.26 118.68 1a91 h ALA 25 Ca -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1a91 h ALA 25 Cb 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1a91 h ALA 25 CO 0.04 -0.42 -0.02 0.82 0.00 0.00 0.00 179.25 179.67 1a91 h ILE 26 N 0.26 1.31 -0.05 0.00 2.04 -1.61 -2.32 117.51 117.15 1a91 h ILE 26 Ca 0.32 -1.14 -0.22 0.00 1.00 0.00 0.00 64.86 64.82 1a91 h ILE 26 Cb 0.88 2.06 0.02 0.00 -0.74 0.00 0.00 36.82 39.04 1a91 h ILE 26 CO -0.07 0.29 -0.83 1.23 0.00 0.00 0.00 178.15 178.76 1a91 h GLY 27 N -0.54 0.72 1.93 5.37 0.00 -1.09 0.11 103.07 109.56 1a91 h GLY 27 Ca -0.00 -1.17 0.00 0.00 0.00 0.00 0.00 47.33 46.15 1a91 h GLY 27 CO 0.01 1.04 0.00 0.29 0.00 0.00 0.00 176.54 177.87 1a91 n ILE 28 N -3.99 0.39 -0.04 2.60 -5.35 -0.75 -0.03 119.36 112.19 1a91 n ILE 28 Ca -0.10 0.10 -0.14 0.00 -0.27 0.00 0.00 62.75 62.33 1a91 n ILE 28 Cb 0.78 -0.70 -0.12 0.00 -1.74 0.00 0.00 39.64 37.86 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 3.96 0.08 0.00 3.28 0.00 -1.03 -2.73 103.07 106.62 1a91 h GLY 29 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1a91 h GLY 29 CO 0.00 0.14 0.00 1.39 0.00 0.00 0.00 176.54 178.07 1a91 n ILE 30 N -4.60 0.00 -0.19 2.60 5.41 0.36 -2.34 119.36 120.60 1a91 n ILE 30 Ca -0.10 0.96 -0.09 0.00 1.00 0.00 0.00 62.75 64.52 1a91 n ILE 30 Cb 0.46 -1.81 0.01 0.00 -0.71 0.00 0.00 39.64 37.59 1a91 n ILE 30 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1a91 h LEU 31 N 0.00 0.88 0.00 1.39 3.38 -0.68 -1.52 115.31 118.77 1a91 h LEU 31 Ca 0.00 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1a91 h LEU 31 Cb 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1a91 h LEU 31 CO 0.00 0.94 -0.20 1.23 0.09 0.00 0.00 178.44 180.50 1a91 h GLY 32 N 0.80 0.00 0.77 0.83 0.00 -1.50 -2.26 103.07 101.70 1a91 h GLY 32 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.31 1a91 h GLY 32 CO 0.02 0.00 -0.76 -1.33 0.00 0.00 0.00 176.54 174.46 1a91 h GLY 33 N 4.32 0.42 2.00 4.60 0.00 -1.13 -2.98 103.07 110.30 1a91 h GLY 33 Ca 0.00 -0.89 -0.10 0.00 0.00 0.00 0.00 47.33 46.33 1a91 h GLY 33 CO 0.00 0.79 -0.50 0.50 0.00 0.00 0.00 176.54 177.33 1a91 h LYS 34 N -0.21 0.00 -0.34 4.80 1.57 -1.33 -2.14 116.57 118.92 1a91 h LYS 34 Ca -0.12 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 1a91 h LYS 34 Cb 1.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.83 1a91 h LYS 34 CO 0.15 0.50 -0.03 0.74 -0.57 0.00 0.00 179.45 180.23 1a91 h PHE 35 N 0.00 0.68 0.00 -1.35 -1.00 -1.49 -2.84 116.94 110.94 1a91 h PHE 35 Ca -0.00 -0.13 0.00 0.00 2.81 0.00 0.00 57.97 60.65 1a91 h PHE 35 Cb 1.07 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 40.46 1a91 h PHE 35 CO 0.00 0.75 0.00 1.25 -1.61 0.00 0.00 178.31 178.70 1a91 h LEU 36 N 0.42 0.00 -1.06 1.54 6.46 -1.40 -2.49 115.31 118.78 1a91 h LEU 36 Ca 0.09 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.77 1a91 h LEU 36 Cb 0.50 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 1a91 h LEU 36 CO 0.02 0.00 -0.41 -0.33 -0.62 0.00 0.00 178.44 177.11 1a91 h GLU 37 N 0.00 0.00 0.02 1.25 5.08 -1.22 -1.09 114.58 118.62 1a91 h GLU 37 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 1a91 h GLU 37 Cb 0.72 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.98 1a91 h GLU 37 CO 0.00 0.41 -1.02 0.78 -1.00 0.00 0.00 179.01 178.18 1a91 h GLY 38 N 1.70 0.56 2.00 -3.84 0.00 -1.26 -3.31 103.07 98.92 1a91 h GLY 38 Ca -0.00 -1.03 0.00 0.00 0.00 0.00 0.00 47.33 46.30 1a91 h GLY 38 CO 0.05 0.91 0.00 0.00 0.00 0.00 0.00 176.54 177.50 1a91 h ALA 39 N 0.60 1.00 0.21 3.60 0.00 -1.01 -3.24 119.26 120.42 1a91 h ALA 39 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1a91 h ALA 39 Cb 1.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1a91 h ALA 39 CO 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 179.25 179.33 1a91 h ALA 40 N 2.19 -0.28 0.00 0.00 0.00 -1.30 -3.31 119.26 116.56 1a91 h ALA 40 Ca 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1a91 h ALA 40 Cb 0.57 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1a91 h ALA 40 CO 0.00 -0.37 -0.29 0.07 0.00 0.00 0.00 179.25 178.66 1a91 h ARG 41 N -0.86 0.00 -7.40 0.00 -0.00 -1.75 -3.44 114.38 100.92 1a91 h ARG 41 Ca -0.03 0.00 -0.47 0.00 -0.00 0.00 0.00 59.98 59.48 1a91 h ARG 41 Cb 0.51 0.00 0.08 0.00 -0.00 0.00 0.00 29.97 30.56 1a91 h ARG 41 CO 0.05 0.01 0.31 -0.65 -0.00 0.00 0.00 179.97 179.68 1a91 s GLN 42 N -3.25 2.32 0.51 0.08 1.11 -1.22 -5.06 119.66 114.15 1a91 s GLN 42 Ca 0.05 0.00 -0.20 0.00 0.01 0.00 0.00 55.36 55.22 1a91 s GLN 42 Cb 0.06 -2.09 -0.07 0.00 -1.01 0.00 0.00 33.01 29.90 1a91 s GLN 42 CO 0.70 -1.25 1.12 -1.25 0.01 0.00 0.00 175.29 174.62 1a91 s PRO 43 N -5.34 3.55 -0.25 2.91 0.04 -1.26 -4.88 135.00 129.78 1a91 s PRO 43 Ca 0.60 1.59 -0.01 0.00 0.04 0.00 0.00 61.00 63.22 1a91 s PRO 43 Cb -0.11 -2.12 0.16 0.00 0.04 0.00 0.00 34.50 32.47 1a91 s PRO 43 CO 0.47 -0.68 2.04 -3.47 0.04 0.00 0.00 177.00 175.40 1a91 n ASP 44 N -1.02 6.23 0.00 6.66 2.03 -1.26 -4.29 116.55 124.90 1a91 n ASP 44 Ca 0.10 -2.92 0.00 0.00 0.52 0.00 0.00 54.79 52.49 1a91 n ASP 44 Cb 0.51 -1.08 0.00 0.00 -0.72 0.00 0.00 41.12 39.83 1a91 n ASP 44 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1a91 n LEU 45 N 0.62 0.62 -0.05 -2.67 0.00 -1.26 -4.43 117.00 109.83 1a91 n LEU 45 Ca 0.24 0.06 -0.14 0.00 0.00 0.00 0.00 56.01 56.17 1a91 n LEU 45 Cb 0.56 -0.17 -0.12 0.00 0.00 0.00 0.00 43.42 43.69 1a91 n LEU 45 CO 0.30 -0.17 0.48 0.40 0.00 0.00 0.00 177.39 178.40 1a91 h ILE 46 N 0.00 1.63 -0.11 1.96 2.04 -2.00 -3.26 117.51 117.77 1a91 h ILE 46 Ca 0.00 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 63.99 1a91 h ILE 46 Cb 0.00 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 1a91 h ILE 46 CO 0.00 0.49 0.00 -0.81 0.00 0.00 0.00 178.15 177.83 1a91 n PRO 47 N -4.70 1.29 0.08 2.37 -0.04 -1.26 -1.54 135.00 131.20 1a91 n PRO 47 Ca -0.09 -0.40 -0.05 0.00 -0.04 0.00 0.00 63.50 62.91 1a91 n PRO 47 Cb 0.39 -1.14 -0.08 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.64 0.00 -0.31 1.53 5.85 -1.77 -2.98 115.31 118.27 1a91 h LEU 48 Ca 0.00 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 1a91 h LEU 48 Cb 0.21 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1a91 h LEU 48 CO 0.01 0.91 -0.85 0.17 -0.34 0.00 0.00 178.44 178.33 1a91 h LEU 49 N 0.00 0.03 -0.18 2.25 8.10 -1.40 0.40 115.31 124.51 1a91 h LEU 49 Ca -0.01 -0.03 -0.19 0.00 0.11 0.00 0.00 57.88 57.76 1a91 h LEU 49 Cb 1.68 -0.01 0.01 0.00 -0.44 0.00 0.00 40.66 41.89 1a91 h LEU 49 CO 0.12 0.87 -0.63 0.08 -4.11 0.00 0.00 178.44 174.76 1a91 h ARG 50 N 0.01 0.75 -0.69 0.17 -0.00 -1.67 -3.21 114.38 109.74 1a91 h ARG 50 Ca -0.01 -0.57 -0.04 0.00 -0.00 0.00 0.00 59.98 59.36 1a91 h ARG 50 Cb 1.50 0.10 -0.03 0.00 -0.00 0.00 0.00 29.97 31.54 1a91 h ARG 50 CO 0.11 1.18 0.26 1.15 -0.00 0.00 0.00 179.97 182.68 1a91 h THR 51 N 0.47 1.24 0.38 0.08 2.02 -1.38 -2.98 112.91 112.75 1a91 h THR 51 Ca -0.03 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 1a91 h THR 51 Cb 1.26 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1a91 h THR 51 CO 0.13 0.31 -0.18 0.06 0.37 0.00 0.00 175.52 176.21 1a91 h GLN 52 N 1.01 -0.49 -1.21 6.66 -0.00 -1.03 -2.82 115.11 117.23 1a91 h GLN 52 Ca 0.23 0.03 0.35 0.00 -0.00 0.00 0.00 58.65 59.26 1a91 h GLN 52 Cb 0.21 0.11 -0.06 0.00 -0.00 0.00 0.00 27.48 27.75 1a91 h GLN 52 CO -0.02 -0.25 0.85 0.35 -0.00 0.00 0.00 178.83 179.76 1a91 h PHE 53 N -0.65 0.12 0.04 0.06 3.57 -1.54 -0.69 116.94 117.84 1a91 h PHE 53 Ca -0.05 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.32 1a91 h PHE 53 Cb 0.47 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 39.19 1a91 h PHE 53 CO -0.02 0.00 -0.54 0.74 -2.23 0.00 0.00 178.31 176.27 1a91 h PHE 54 N 0.07 0.47 0.00 0.41 -1.00 -1.35 -1.48 116.94 114.06 1a91 h PHE 54 Ca 0.60 -0.28 0.00 0.00 2.81 0.00 0.00 57.97 61.09 1a91 h PHE 54 Cb 2.23 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 41.75 1a91 h PHE 54 CO -0.00 1.13 0.00 -0.84 -1.61 0.00 0.00 178.31 176.99 1a91 h ILE 55 N -0.32 0.00 -0.04 -0.55 3.07 -0.95 -1.77 117.51 116.94 1a91 h ILE 55 Ca -0.08 -0.53 -0.18 0.00 1.55 0.00 0.00 64.86 65.62 1a91 h ILE 55 Cb 1.31 1.49 0.01 0.00 -0.27 0.00 0.00 36.82 39.36 1a91 h ILE 55 CO 0.10 0.00 -0.68 0.58 -1.05 0.00 0.00 178.15 177.11 1a91 h VAL 56 N 0.00 1.37 -0.34 0.16 2.07 -1.32 -2.29 116.25 115.89 1a91 h VAL 56 Ca 0.00 -2.03 0.10 0.00 0.82 0.00 0.00 66.70 65.59 1a91 h VAL 56 Cb 0.56 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1a91 h VAL 56 CO 0.00 0.61 0.32 -0.03 0.02 0.00 0.00 177.57 178.48 1a91 h MET 57 N 0.11 0.00 0.00 1.57 1.85 -0.81 -1.30 114.93 116.35 1a91 h MET 57 Ca -0.07 0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 58.94 1a91 h MET 57 Cb 1.35 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.37 1a91 h MET 57 CO 0.14 0.00 -0.37 0.78 -0.40 0.00 0.00 176.91 177.05 1a91 h GLY 58 N 0.00 0.00 1.80 1.39 0.00 -0.84 -2.47 103.07 102.95 1a91 h GLY 58 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.45 1a91 h GLY 58 CO -0.00 0.00 -0.36 1.41 0.00 0.00 0.00 176.54 177.59 1a91 h LEU 59 N 0.00 0.00 -0.37 3.11 -0.00 -0.73 -2.37 115.31 114.95 1a91 h LEU 59 Ca -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.73 1a91 h LEU 59 Cb 1.16 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.80 1a91 h LEU 59 CO 0.05 0.17 -0.67 0.58 -0.00 0.00 0.00 178.44 178.57 1a91 h VAL 60 N 0.00 1.30 0.00 1.22 2.07 -1.24 -1.58 116.25 118.02 1a91 h VAL 60 Ca -0.01 -2.47 -0.18 0.00 0.82 0.00 0.00 66.70 64.86 1a91 h VAL 60 Cb 1.14 2.40 -0.03 0.00 -1.52 0.00 0.00 31.29 33.29 1a91 h VAL 60 CO 0.02 0.66 -0.87 -0.78 0.02 0.00 0.00 177.57 176.62 1a91 h ASP 61 N 0.00 0.00 1.00 0.57 1.82 -1.34 -3.15 116.42 115.31 1a91 h ASP 61 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1a91 h ASP 61 Cb 1.35 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.36 1a91 h ASP 61 CO 0.09 0.87 -0.47 0.00 -1.61 0.00 0.00 179.24 178.12 1a91 n ALA 62 N -2.36 2.79 -0.11 -0.78 0.00 -0.90 -4.37 120.51 114.76 1a91 n ALA 62 Ca -0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 53.44 53.18 1a91 n ALA 62 Cb 0.84 -1.24 0.01 0.00 0.00 0.00 0.00 19.45 19.05 1a91 n ALA 62 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1a91 h ILE 63 N 0.00 0.39 0.00 0.00 1.08 -1.24 -2.91 117.51 114.83 1a91 h ILE 63 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1a91 h ILE 63 Cb 0.73 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 1a91 h ILE 63 CO 0.00 0.00 -0.02 -0.81 -0.69 0.00 0.00 178.15 176.63 1a91 n PRO 64 N -5.38 0.18 0.03 2.37 -0.04 -1.26 -2.15 135.00 128.74 1a91 n PRO 64 Ca 0.02 0.14 -0.13 0.00 -0.04 0.00 0.00 63.50 63.49 1a91 n PRO 64 Cb 0.30 -1.70 -0.09 0.00 -0.04 0.00 0.00 33.50 31.96 1a91 n PRO 64 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1a91 h MET 65 N 0.00 -0.09 0.23 0.54 1.85 -1.80 -3.11 114.93 112.55 1a91 h MET 65 Ca 0.00 0.01 -0.33 0.00 -0.61 0.00 0.00 59.70 58.76 1a91 h MET 65 Cb 0.66 0.02 0.03 0.00 0.43 0.00 0.00 31.60 32.74 1a91 h MET 65 CO 0.00 0.32 -1.49 0.82 -0.40 0.00 0.00 176.91 176.15 1a91 h ILE 66 N -0.52 1.26 0.00 1.77 1.08 -1.25 -0.33 117.51 119.51 1a91 h ILE 66 Ca -0.01 -2.73 -0.12 0.00 -0.39 0.00 0.00 64.86 61.62 1a91 h ILE 66 Cb 0.45 2.99 -0.02 0.00 -3.07 0.00 0.00 36.82 37.17 1a91 h ILE 66 CO 0.02 0.83 -0.56 0.00 -0.69 0.00 0.00 178.15 177.74 1a91 h ALA 67 N 0.22 0.80 0.01 1.87 0.00 -1.60 -0.68 119.26 119.88 1a91 h ALA 67 Ca -0.25 -0.51 -0.23 0.00 0.00 0.00 0.00 54.91 53.92 1a91 h ALA 67 Cb 2.14 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.80 1a91 h ALA 67 CO 0.25 0.70 -1.15 0.28 0.00 0.00 0.00 179.25 179.33 1a91 h VAL 68 N 0.00 1.54 0.00 0.00 2.07 -1.56 -2.94 116.25 115.36 1a91 h VAL 68 Ca -0.01 -3.26 0.00 0.00 0.82 0.00 0.00 66.70 64.25 1a91 h VAL 68 Cb 1.21 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.75 1a91 h VAL 68 CO 0.07 0.88 0.00 1.23 0.02 0.00 0.00 177.57 179.78 1a91 h GLY 69 N 2.98 0.00 1.55 2.17 0.00 -0.85 -1.70 103.07 107.23 1a91 h GLY 69 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.03 1a91 h GLY 69 CO 0.13 0.00 -0.94 1.41 0.00 0.00 0.00 176.54 177.14 1a91 h LEU 70 N 0.00 0.52 0.04 3.11 -0.00 -1.15 -1.27 115.31 116.57 1a91 h LEU 70 Ca 0.00 -0.42 -0.25 0.00 -0.00 0.00 0.00 57.88 57.22 1a91 h LEU 70 Cb 0.86 -0.16 0.02 0.00 -0.00 0.00 0.00 40.66 41.38 1a91 h LEU 70 CO 0.00 1.22 -0.99 1.23 -0.00 0.00 0.00 178.44 179.90 1a91 h GLY 71 N 1.26 0.67 1.17 0.83 0.00 -1.32 -2.73 103.07 102.95 1a91 h GLY 71 Ca -0.08 -1.25 -0.12 0.00 0.00 0.00 0.00 47.33 45.88 1a91 h GLY 71 CO 0.16 1.10 -0.17 1.41 0.00 0.00 0.00 176.54 179.04 1a91 h LEU 72 N 0.20 0.96 0.02 3.11 3.38 -1.39 -3.07 115.31 118.52 1a91 h LEU 72 Ca -0.14 -0.34 -0.22 0.00 0.09 0.00 0.00 57.88 57.27 1a91 h LEU 72 Cb 1.67 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 42.13 1a91 h LEU 72 CO 0.19 1.11 -1.05 0.22 0.09 0.00 0.00 178.44 179.01 1a91 h TYR 73 N 0.84 0.07 -0.09 1.13 3.20 -1.27 -2.56 116.97 118.29 1a91 h TYR 73 Ca 0.12 -0.05 -0.14 0.00 3.14 0.00 0.00 58.73 61.80 1a91 h TYR 73 Cb 0.73 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 1a91 h TYR 73 CO 0.05 1.04 -0.54 0.28 -1.64 0.00 0.00 178.16 177.35 1a91 h VAL 74 N 0.01 1.36 -0.01 1.81 2.07 -1.55 -2.27 116.25 117.67 1a91 h VAL 74 Ca -0.03 -1.83 -0.18 0.00 0.82 0.00 0.00 66.70 65.48 1a91 h VAL 74 Cb 1.80 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 33.44 1a91 h VAL 74 CO 0.14 0.55 -0.81 0.24 0.02 0.00 0.00 177.57 177.71 1a91 h MET 75 N 0.21 0.13 -0.46 1.57 2.86 -1.50 -2.68 114.93 115.06 1a91 h MET 75 Ca 0.00 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 1a91 h MET 75 Cb 1.02 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 1a91 h MET 75 CO 0.09 0.86 0.09 0.35 1.06 0.00 0.00 176.91 179.36 1a91 h PHE 76 N 0.08 0.72 0.00 -0.22 3.57 -1.33 -3.02 116.94 116.73 1a91 h PHE 76 Ca -0.03 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1a91 h PHE 76 Cb 1.41 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1a91 h PHE 76 CO 0.02 0.63 0.00 0.00 -2.23 0.00 0.00 178.31 176.73 1a91 h ALA 77 N 1.42 1.00 -1.71 2.41 0.00 -1.06 -3.35 119.26 117.97 1a91 h ALA 77 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1a91 h ALA 77 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1a91 h ALA 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 179.25 179.53 1a91 n VAL 78 N -2.71 0.00 1.73 0.00 0.31 -1.14 -5.10 118.33 111.42 1a91 n VAL 78 Ca 0.03 0.59 0.15 0.00 -0.01 0.00 0.00 64.34 65.10 1a91 n VAL 78 Cb 0.38 -1.23 0.72 0.00 -0.91 0.00 0.00 33.84 32.80 1a91 n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51