#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 0.71 0.00 0.03 5.08 -1.99 -1.59 114.58 116.82 1a91 h GLU 2 Ca 0.00 -0.24 -0.23 0.00 -1.00 0.00 0.00 59.36 57.88 1a91 h GLU 2 Cb 0.00 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1a91 h GLU 2 CO 0.00 0.82 -1.59 0.09 -1.00 0.00 0.00 179.01 177.34 1a91 n ASN 3 N -4.15 0.85 -0.17 1.42 4.13 -1.26 -2.45 115.26 113.62 1a91 n ASN 3 Ca 0.01 0.39 0.08 0.00 1.68 0.00 0.00 54.58 56.74 1a91 n ASN 3 Cb 0.38 0.07 0.39 0.00 -1.54 0.00 0.00 39.78 39.08 1a91 n ASN 3 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1a91 h LEU 4 N 0.00 0.60 0.05 3.41 6.46 -1.95 -0.46 115.31 123.42 1a91 h LEU 4 Ca -0.23 0.01 -0.27 0.00 -0.12 0.00 0.00 57.88 57.27 1a91 h LEU 4 Cb 1.82 -0.12 0.01 0.00 -0.73 0.00 0.00 40.66 41.64 1a91 h LEU 4 CO 0.06 0.37 -1.18 -1.13 -0.62 0.00 0.00 178.44 175.94 1a91 h ASN 5 N 0.67 0.55 -0.11 1.25 -0.73 -1.28 -0.89 115.58 115.04 1a91 h ASN 5 Ca 0.32 -0.53 -0.05 0.00 1.87 0.00 0.00 56.30 57.92 1a91 h ASN 5 Cb 0.39 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.79 1a91 h ASN 5 CO -0.11 1.38 -0.06 -0.03 -0.37 0.00 0.00 177.43 178.24 1a91 h MET 6 N 0.15 0.38 -0.13 6.67 4.05 -1.35 -1.56 114.93 123.13 1a91 h MET 6 Ca -0.14 -0.08 -0.17 0.00 -0.28 0.00 0.00 59.70 59.04 1a91 h MET 6 Cb 1.87 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 32.61 1a91 h MET 6 CO 0.20 0.45 -0.62 0.22 0.23 0.00 0.00 176.91 177.40 1a91 h ASP 7 N 0.36 0.53 -0.01 1.39 3.58 -0.83 -2.84 116.42 118.60 1a91 h ASP 7 Ca 0.08 -0.31 -0.01 0.00 0.42 0.00 0.00 57.03 57.21 1a91 h ASP 7 Cb 0.33 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1a91 h ASP 7 CO 0.01 1.02 -0.04 0.25 -2.88 0.00 0.00 179.24 177.60 1a91 h LEU 8 N 0.35 0.06 -0.66 2.28 7.12 -0.68 -2.41 115.31 121.36 1a91 h LEU 8 Ca -0.01 -0.62 -0.14 0.00 0.13 0.00 0.00 57.88 57.24 1a91 h LEU 8 Cb 1.16 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 41.27 1a91 h LEU 8 CO 0.11 0.67 -0.53 -0.07 -0.13 0.00 0.00 178.44 178.49 1a91 h LEU 9 N -0.55 0.42 0.03 2.25 -0.00 -1.40 -0.92 115.31 115.14 1a91 h LEU 9 Ca -0.00 -0.21 -0.00 0.00 -0.00 0.00 0.00 57.88 57.66 1a91 h LEU 9 Cb 0.67 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 1a91 h LEU 9 CO 0.01 0.87 -0.02 1.88 -0.00 0.00 0.00 178.44 181.18 1a91 h TYR 10 N 0.29 -0.04 0.00 1.13 0.05 -1.58 -3.15 116.97 113.67 1a91 h TYR 10 Ca 0.01 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1a91 h TYR 10 Cb 1.03 0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.78 1a91 h TYR 10 CO 0.03 0.29 0.00 -1.33 -1.05 0.00 0.00 178.16 176.10 1a91 n MET 11 N -4.95 0.16 0.24 4.88 2.81 -0.91 -2.39 117.12 116.96 1a91 n MET 11 Ca -0.08 0.32 -0.14 0.00 -1.81 0.00 0.00 57.70 55.99 1a91 n MET 11 Cb 0.19 -1.76 -0.08 0.00 -0.71 0.00 0.00 33.22 30.86 1a91 n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a91 h ALA 12 N 2.41 -0.62 -0.01 3.04 0.00 -1.13 -2.14 119.26 120.83 1a91 h ALA 12 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1a91 h ALA 12 Cb 0.43 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1a91 h ALA 12 CO 0.00 -0.71 0.05 0.00 0.00 0.00 0.00 179.25 178.59 1a91 h ALA 13 N -0.53 1.11 0.00 0.00 0.00 -1.50 -1.23 119.26 117.11 1a91 h ALA 13 Ca -0.06 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1a91 h ALA 13 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1a91 h ALA 13 CO 0.10 -0.05 -1.33 0.00 0.00 0.00 0.00 179.25 177.98 1a91 n ALA 14 N -2.08 2.27 0.02 0.00 0.00 -1.00 -1.62 120.51 118.10 1a91 n ALA 14 Ca -0.03 -0.43 -0.13 0.00 0.00 0.00 0.00 53.44 52.86 1a91 n ALA 14 Cb 0.12 -0.98 -0.14 0.00 0.00 0.00 0.00 19.45 18.45 1a91 n ALA 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1a91 h VAL 15 N 0.00 1.03 0.01 0.00 2.07 -1.16 -2.84 116.25 115.36 1a91 h VAL 15 Ca -0.09 -2.78 -0.00 0.00 0.82 0.00 0.00 66.70 64.65 1a91 h VAL 15 Cb 1.28 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 33.65 1a91 h VAL 15 CO 0.02 0.72 -0.01 -0.03 0.02 0.00 0.00 177.57 178.29 1a91 h MET 16 N 0.03 -0.02 0.00 1.57 -1.53 -1.30 -3.12 114.93 110.56 1a91 h MET 16 Ca -0.25 0.00 -0.08 0.00 -3.44 0.00 0.00 59.70 55.93 1a91 h MET 16 Cb 1.98 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 33.03 1a91 h MET 16 CO 0.11 -0.01 -0.47 0.52 0.14 0.00 0.00 176.91 177.20 1a91 h MET 17 N -0.73 0.00 -0.61 0.39 2.86 -1.53 -2.88 114.93 112.43 1a91 h MET 17 Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1a91 h MET 17 Cb 0.01 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1a91 h MET 17 CO 0.00 0.33 0.23 0.78 1.06 0.00 0.00 176.91 179.32 1a91 h GLY 18 N 3.67 0.98 0.16 8.32 0.00 -1.55 -0.84 103.07 113.81 1a91 h GLY 18 Ca -0.02 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1a91 h GLY 18 CO 0.04 0.51 -0.08 -2.00 0.00 0.00 0.00 176.54 175.02 1a91 h LEU 19 N 0.85 -0.19 0.07 3.11 6.46 -1.53 -3.20 115.31 120.89 1a91 h LEU 19 Ca 0.20 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.96 1a91 h LEU 19 Cb 0.22 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 1a91 h LEU 19 CO -0.01 -0.11 -0.04 0.00 -0.62 0.00 0.00 178.44 177.66 1a91 h ALA 20 N -1.86 -0.10 -0.31 1.25 0.00 -1.53 -2.69 119.26 114.02 1a91 h ALA 20 Ca -0.02 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.82 1a91 h ALA 20 Cb 0.17 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1a91 h ALA 20 CO 0.04 -0.11 0.27 0.00 0.00 0.00 0.00 179.25 179.45 1a91 h ALA 21 N -0.70 2.12 0.04 0.00 0.00 -1.38 -0.18 119.26 119.16 1a91 h ALA 21 Ca -0.01 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 1a91 h ALA 21 Cb 0.34 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1a91 h ALA 21 CO 0.02 -0.43 -1.24 0.97 0.00 0.00 0.00 179.25 178.57 1a91 h ILE 22 N 0.00 1.46 -0.06 0.00 -0.00 -1.48 -2.33 117.51 115.10 1a91 h ILE 22 Ca 0.15 -3.16 -0.08 0.00 -0.00 0.00 0.00 64.86 61.77 1a91 h ILE 22 Cb 0.68 2.78 -0.01 0.00 -0.00 0.00 0.00 36.82 40.28 1a91 h ILE 22 CO -0.00 0.86 -0.34 1.23 -0.00 0.00 0.00 178.15 179.90 1a91 h GLY 23 N 2.64 0.12 0.00 8.18 0.00 -0.84 -2.30 103.07 110.86 1a91 h GLY 23 Ca -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1a91 h GLY 23 CO 0.14 0.09 0.00 0.00 0.00 0.00 0.00 176.54 176.77 1a91 n ALA 24 N -2.47 -0.30 -0.23 3.60 0.00 -0.21 -3.41 120.51 117.48 1a91 n ALA 24 Ca -0.02 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.65 1a91 n ALA 24 Cb 0.40 0.04 0.58 0.00 0.00 0.00 0.00 19.45 20.47 1a91 n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a91 h ALA 25 N -1.93 2.40 0.01 0.00 0.00 -1.11 -0.73 119.26 117.91 1a91 h ALA 25 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a91 h ALA 25 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1a91 h ALA 25 CO 0.00 -0.69 -0.01 0.82 0.00 0.00 0.00 179.25 179.37 1a91 h ILE 26 N 0.28 1.40 -0.16 0.00 1.08 -1.57 -2.37 117.51 116.16 1a91 h ILE 26 Ca 0.47 -1.27 -0.21 0.00 -0.39 0.00 0.00 64.86 63.46 1a91 h ILE 26 Cb 1.37 2.25 0.01 0.00 -3.07 0.00 0.00 36.82 37.38 1a91 h ILE 26 CO -0.14 0.33 -0.73 1.23 -0.69 0.00 0.00 178.15 178.15 1a91 h GLY 27 N -0.57 0.85 1.86 5.37 0.00 -1.17 0.10 103.07 109.51 1a91 h GLY 27 Ca -0.00 -1.19 0.00 0.00 0.00 0.00 0.00 47.33 46.14 1a91 h GLY 27 CO 0.00 1.06 0.00 0.29 0.00 0.00 0.00 176.54 177.89 1a91 n ILE 28 N -3.98 0.35 -0.04 2.60 -5.35 -0.83 -0.02 119.36 112.09 1a91 n ILE 28 Ca -0.07 0.09 -0.13 0.00 -0.27 0.00 0.00 62.75 62.36 1a91 n ILE 28 Cb 0.72 -0.69 -0.11 0.00 -1.74 0.00 0.00 39.64 37.82 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 3.97 -0.01 0.00 3.28 0.00 -0.93 -2.87 103.07 106.51 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 -4.72 0.00 -0.11 2.60 5.41 0.30 -2.01 119.36 120.83 1a91 n ILE 30 Ca -0.09 1.21 -0.09 0.00 1.00 0.00 0.00 62.75 64.78 1a91 n ILE 30 Cb 0.37 -2.20 -0.01 0.00 -0.71 0.00 0.00 39.64 37.09 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 0.45 -0.84 1.39 4.07 -0.67 -1.21 115.31 118.50 1a91 h LEU 31 Ca 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.86 1a91 h LEU 31 Cb 0.00 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.62 1a91 h LEU 31 CO 0.00 0.42 0.00 1.23 -1.08 0.00 0.00 178.44 179.01 1a91 h GLY 32 N 0.45 0.00 0.94 0.83 0.00 -1.58 -1.26 103.07 102.45 1a91 h GLY 32 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.22 1a91 h GLY 32 CO -0.02 0.00 -0.97 -1.33 0.00 0.00 0.00 176.54 174.22 1a91 h GLY 33 N 2.85 0.52 2.00 4.60 0.00 -0.89 -3.25 103.07 108.90 1a91 h GLY 33 Ca 0.00 -1.13 -0.10 0.00 0.00 0.00 0.00 47.33 46.10 1a91 h GLY 33 CO 0.00 0.99 -0.50 0.50 0.00 0.00 0.00 176.54 177.53 1a91 h LYS 34 N -0.05 0.00 -0.43 4.80 1.57 -1.15 -3.19 116.57 118.12 1a91 h LYS 34 Ca -0.15 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 1a91 h LYS 34 Cb 1.71 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.00 1a91 h LYS 34 CO 0.19 0.50 0.08 0.74 -0.57 0.00 0.00 179.45 180.38 1a91 h PHE 35 N 0.00 0.75 0.00 -1.35 -1.00 -1.32 -2.74 116.94 111.28 1a91 h PHE 35 Ca -0.00 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.67 1a91 h PHE 35 Cb 1.10 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 40.45 1a91 h PHE 35 CO 0.00 0.72 0.00 -0.11 -1.61 0.00 0.00 178.31 177.31 1a91 n LEU 36 N -4.49 0.10 0.04 1.54 0.00 -1.21 -2.98 117.00 110.00 1a91 n LEU 36 Ca 0.00 0.51 -0.06 0.00 0.00 0.00 0.00 56.01 56.47 1a91 n LEU 36 Cb 0.24 -0.49 0.13 0.00 0.00 0.00 0.00 43.42 43.29 1a91 n LEU 36 CO 0.39 -0.12 0.56 -0.33 0.00 0.00 0.00 177.39 177.89 1a91 h GLU 37 N 0.00 0.42 -0.02 1.96 4.39 -1.48 -2.05 114.58 117.80 1a91 h GLU 37 Ca 0.00 -0.23 -0.21 0.00 0.34 0.00 0.00 59.36 59.25 1a91 h GLU 37 Cb 0.43 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1a91 h GLU 37 CO 0.00 0.81 -0.89 0.78 -1.16 0.00 0.00 179.01 178.55 1a91 h GLY 38 N 1.17 0.42 2.00 -3.84 0.00 -1.59 -3.29 103.07 97.94 1a91 h GLY 38 Ca 0.02 -0.71 -0.04 0.00 0.00 0.00 0.00 47.33 46.61 1a91 h GLY 38 CO 0.08 0.63 -0.17 0.00 0.00 0.00 0.00 176.54 177.08 1a91 h ALA 39 N 0.81 1.03 -0.04 3.60 0.00 -1.43 -3.35 119.26 119.89 1a91 h ALA 39 Ca -0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1a91 h ALA 39 Cb 1.51 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1a91 h ALA 39 CO 0.15 0.22 -0.09 0.00 0.00 0.00 0.00 179.25 179.52 1a91 h ALA 40 N 1.83 0.07 -0.08 0.00 0.00 -1.44 -3.34 119.26 116.30 1a91 h ALA 40 Ca -0.00 -0.33 -0.21 0.00 0.00 0.00 0.00 54.91 54.36 1a91 h ALA 40 Cb 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1a91 h ALA 40 CO 0.02 -0.07 -0.82 0.07 0.00 0.00 0.00 179.25 178.45 1a91 h ARG 41 N -0.39 0.56 -7.48 0.00 -0.00 -1.75 -3.43 114.38 101.89 1a91 h ARG 41 Ca 0.00 -0.50 -0.46 0.00 -0.00 0.00 0.00 59.98 59.02 1a91 h ARG 41 Cb 0.68 0.12 0.11 0.00 -0.00 0.00 0.00 29.97 30.88 1a91 h ARG 41 CO 0.02 1.13 0.29 1.14 -0.00 0.00 0.00 179.97 182.54 1a91 s GLN 42 N -3.55 1.49 0.60 0.08 -2.07 -1.25 -5.04 119.66 109.91 1a91 s GLN 42 Ca -0.08 -0.48 -0.17 0.00 -1.82 0.00 0.00 55.36 52.82 1a91 s GLN 42 Cb 0.09 -2.07 -0.03 0.00 -1.09 0.00 0.00 33.01 29.91 1a91 s GLN 42 CO 0.87 -1.74 1.09 -1.25 -1.32 0.00 0.00 175.29 172.94 1a91 s PRO 43 N -5.49 3.20 -0.27 9.60 0.04 -1.26 -4.88 135.00 135.93 1a91 s PRO 43 Ca 0.67 1.36 -0.02 0.00 0.04 0.00 0.00 61.00 63.04 1a91 s PRO 43 Cb -0.07 -2.01 0.07 0.00 0.04 0.00 0.00 34.50 32.54 1a91 s PRO 43 CO 0.48 -0.93 2.47 -0.25 0.04 0.00 0.00 177.00 178.81 1a91 n ASP 44 N -1.93 6.15 0.00 6.66 8.00 -1.25 -4.35 116.55 129.83 1a91 n ASP 44 Ca 0.10 -2.94 0.00 0.00 0.71 0.00 0.00 54.79 52.66 1a91 n ASP 44 Cb 0.52 -1.17 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 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 0.97 0.51 0.00 0.64 0.00 -1.26 -4.45 117.00 113.41 1a91 n LEU 45 Ca 0.34 0.07 -0.10 0.00 0.00 0.00 0.00 56.01 56.32 1a91 n LEU 45 Cb 0.61 -0.23 -0.08 0.00 0.00 0.00 0.00 43.42 43.72 1a91 n LEU 45 CO 0.28 -0.23 0.34 0.40 0.00 0.00 0.00 177.39 178.18 1a91 h ILE 46 N 0.00 0.97 -0.00 1.96 5.03 -1.99 -3.34 117.51 120.14 1a91 h ILE 46 Ca 0.00 -1.43 0.00 0.00 -0.12 0.00 0.00 64.86 63.31 1a91 h ILE 46 Cb 0.00 1.73 0.00 0.00 -3.03 0.00 0.00 36.82 35.52 1a91 h ILE 46 CO 0.00 0.29 -0.00 -0.81 -0.68 0.00 0.00 178.15 176.95 1a91 n PRO 47 N -4.81 0.83 0.13 2.37 -0.04 -1.26 -2.26 135.00 129.95 1a91 n PRO 47 Ca -0.07 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1a91 n PRO 47 Cb 0.28 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.01 0.00 -0.17 1.53 5.85 -1.78 -2.38 115.31 118.37 1a91 h LEU 48 Ca 0.00 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.53 1a91 h LEU 48 Cb 0.09 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.13 1a91 h LEU 48 CO 0.00 0.62 -0.64 0.17 -0.34 0.00 0.00 178.44 178.24 1a91 h LEU 49 N 0.00 0.86 -0.85 2.25 8.10 -1.59 -1.92 115.31 122.16 1a91 h LEU 49 Ca -0.01 -0.61 -0.10 0.00 0.11 0.00 0.00 57.88 57.28 1a91 h LEU 49 Cb 1.37 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 41.33 1a91 h LEU 49 CO 0.08 1.32 -0.47 0.08 -4.11 0.00 0.00 178.44 175.34 1a91 h ARG 50 N 0.46 0.00 -0.45 0.17 -0.00 -1.63 -2.97 114.38 109.94 1a91 h ARG 50 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.93 1a91 h ARG 50 Cb 1.27 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.22 1a91 h ARG 50 CO 0.14 0.47 0.20 1.15 -0.00 0.00 0.00 179.97 181.93 1a91 h THR 51 N 0.00 1.20 0.07 0.08 2.02 -1.29 -3.04 112.91 111.95 1a91 h THR 51 Ca -0.00 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1a91 h THR 51 Cb 0.99 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1a91 h THR 51 CO 0.06 0.22 -0.06 0.06 0.37 0.00 0.00 175.52 176.17 1a91 h GLN 52 N 0.59 -0.14 -1.19 6.66 3.07 -1.33 -2.58 115.11 120.18 1a91 h GLN 52 Ca 0.15 0.01 0.42 0.00 0.09 0.00 0.00 58.65 59.32 1a91 h GLN 52 Cb 0.16 0.03 -0.15 0.00 0.08 0.00 0.00 27.48 27.61 1a91 h GLN 52 CO -0.02 -0.09 0.73 0.35 0.09 0.00 0.00 178.83 179.89 1a91 h PHE 53 N -0.15 0.67 0.03 0.06 3.57 -1.48 -0.11 116.94 119.53 1a91 h PHE 53 Ca 0.00 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 1a91 h PHE 53 Cb 0.14 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 38.72 1a91 h PHE 53 CO -0.10 -0.28 -0.44 0.74 -2.23 0.00 0.00 178.31 176.01 1a91 h PHE 54 N 0.10 0.39 0.00 0.41 -1.00 -1.35 -1.65 116.94 113.84 1a91 h PHE 54 Ca 0.82 -0.23 -0.02 0.00 2.81 0.00 0.00 57.97 61.35 1a91 h PHE 54 Cb 2.36 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 41.88 1a91 h PHE 54 CO -0.01 1.08 -0.08 -0.84 -1.61 0.00 0.00 178.31 176.86 1a91 h ILE 55 N -0.41 0.20 -0.05 -0.55 3.07 -0.90 -2.72 117.51 116.15 1a91 h ILE 55 Ca -0.06 -0.73 -0.24 0.00 1.55 0.00 0.00 64.86 65.38 1a91 h ILE 55 Cb 1.23 1.61 0.02 0.00 -0.27 0.00 0.00 36.82 39.40 1a91 h ILE 55 CO 0.09 0.08 -0.89 0.58 -1.05 0.00 0.00 178.15 176.95 1a91 h VAL 56 N 0.00 1.30 -0.74 0.16 2.07 -1.23 -0.98 116.25 116.82 1a91 h VAL 56 Ca -0.00 -2.12 0.19 0.00 0.82 0.00 0.00 66.70 65.59 1a91 h VAL 56 Cb 0.60 2.27 -0.04 0.00 -1.52 0.00 0.00 31.29 32.60 1a91 h VAL 56 CO 0.01 0.66 0.52 -0.03 0.02 0.00 0.00 177.57 178.74 1a91 h MET 57 N 0.37 0.16 -0.02 1.57 1.85 -0.97 -1.87 114.93 116.03 1a91 h MET 57 Ca -0.10 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.98 1a91 h MET 57 Cb 1.54 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 33.53 1a91 h MET 57 CO 0.18 0.11 -0.35 0.41 -0.40 0.00 0.00 176.91 176.85 1a91 n GLY 58 N -1.61 0.14 0.13 1.39 0.00 -1.12 -3.90 105.19 100.22 1a91 n GLY 58 Ca 0.15 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 1a91 n GLY 58 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a91 h LEU 59 N 2.57 0.63 -0.50 0.99 7.12 -0.37 -3.24 115.31 122.51 1a91 h LEU 59 Ca 0.00 -0.75 -0.02 0.00 0.13 0.00 0.00 57.88 57.24 1a91 h LEU 59 Cb 0.72 -0.20 -0.00 0.00 -0.53 0.00 0.00 40.66 40.64 1a91 h LEU 59 CO 0.00 1.60 -0.10 1.62 -0.13 0.00 0.00 178.44 181.43 1a91 h VAL 60 N 0.11 0.19 -0.28 1.05 3.04 -1.63 -1.55 116.25 117.18 1a91 h VAL 60 Ca -0.25 -1.06 -0.13 0.00 -1.01 0.00 0.00 66.70 64.26 1a91 h VAL 60 Cb 2.09 1.91 -0.00 0.00 -2.01 0.00 0.00 31.29 33.27 1a91 h VAL 60 CO 0.22 0.09 -0.32 -0.78 -1.01 0.00 0.00 177.57 175.78 1a91 h ASP 61 N 0.00 0.77 1.31 3.17 1.82 -1.67 -3.29 116.42 118.52 1a91 h ASP 61 Ca -0.00 -0.48 -0.02 0.00 -0.39 0.00 0.00 57.03 56.14 1a91 h ASP 61 Cb 0.90 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 40.69 1a91 h ASP 61 CO 0.01 1.10 -0.70 0.00 -1.61 0.00 0.00 179.24 178.04 1a91 h ALA 62 N 0.70 0.67 -0.41 -0.78 0.00 -1.53 -3.40 119.26 114.52 1a91 h ALA 62 Ca 0.04 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1a91 h ALA 62 Cb 0.89 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.61 1a91 h ALA 62 CO 0.08 0.10 -0.22 0.82 0.00 0.00 0.00 179.25 180.02 1a91 h ILE 63 N 0.00 0.37 -0.00 0.00 1.08 -1.35 -1.50 117.51 116.10 1a91 h ILE 63 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1a91 h ILE 63 Cb 1.06 0.37 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 1a91 h ILE 63 CO 0.01 0.00 -0.15 -0.81 -0.69 0.00 0.00 178.15 176.51 1a91 n PRO 64 N -5.39 0.63 -0.04 2.37 -0.04 -1.26 -2.14 135.00 129.13 1a91 n PRO 64 Ca 0.02 -0.24 -0.21 0.00 -0.04 0.00 0.00 63.50 63.03 1a91 n PRO 64 Cb 0.30 -1.49 -0.13 0.00 -0.04 0.00 0.00 33.50 32.13 1a91 n PRO 64 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1a91 n MET 65 N -0.97 0.72 0.06 0.54 2.81 -1.12 -2.86 117.12 116.30 1a91 n MET 65 Ca 0.13 0.27 -0.06 0.00 -1.81 0.00 0.00 57.70 56.23 1a91 n MET 65 Cb 0.29 -1.67 -0.11 0.00 -0.71 0.00 0.00 33.22 31.03 1a91 n MET 65 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 1a91 h ILE 66 N -0.08 1.61 0.00 2.02 -0.00 -1.20 0.77 117.51 120.64 1a91 h ILE 66 Ca -0.46 -3.30 -0.18 0.00 -0.00 0.00 0.00 64.86 60.93 1a91 h ILE 66 Cb 1.93 2.80 -0.03 0.00 -0.00 0.00 0.00 36.82 41.52 1a91 h ILE 66 CO 0.01 0.92 -0.83 0.00 -0.00 0.00 0.00 178.15 178.25 1a91 h ALA 67 N 1.04 0.61 0.04 0.18 0.00 -1.60 -0.94 119.26 118.60 1a91 h ALA 67 Ca -0.02 -0.76 -0.22 0.00 0.00 0.00 0.00 54.91 53.91 1a91 h ALA 67 Cb 1.74 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1a91 h ALA 67 CO 0.12 1.04 -1.03 0.28 0.00 0.00 0.00 179.25 179.66 1a91 h VAL 68 N 0.00 1.61 0.00 0.00 2.07 -1.48 -2.76 116.25 115.69 1a91 h VAL 68 Ca -0.01 -3.14 0.00 0.00 0.82 0.00 0.00 66.70 64.37 1a91 h VAL 68 Cb 1.49 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 34.04 1a91 h VAL 68 CO 0.11 0.90 0.00 1.23 0.02 0.00 0.00 177.57 179.83 1a91 h GLY 69 N 2.36 0.00 1.49 2.17 0.00 -0.74 -1.07 103.07 107.28 1a91 h GLY 69 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.99 1a91 h GLY 69 CO 0.15 0.00 -1.28 -2.00 0.00 0.00 0.00 176.54 173.41 1a91 h LEU 70 N 0.00 0.60 -0.53 3.11 6.46 -1.15 -1.23 115.31 122.57 1a91 h LEU 70 Ca 0.00 -0.61 -0.14 0.00 -0.12 0.00 0.00 57.88 57.01 1a91 h LEU 70 Cb 0.70 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 1a91 h LEU 70 CO 0.00 1.47 -0.30 1.23 -0.62 0.00 0.00 178.44 180.21 1a91 h GLY 71 N 1.04 0.95 2.00 3.75 0.00 -1.17 -2.16 103.07 107.47 1a91 h GLY 71 Ca -0.17 -0.89 -0.04 0.00 0.00 0.00 0.00 47.33 46.23 1a91 h GLY 71 CO 0.22 0.81 -0.20 1.41 0.00 0.00 0.00 176.54 178.78 1a91 h LEU 72 N 0.73 0.00 0.13 3.11 3.38 -1.26 -3.04 115.31 118.37 1a91 h LEU 72 Ca 0.08 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.77 1a91 h LEU 72 Cb 0.87 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.62 1a91 h LEU 72 CO 0.08 0.20 -1.25 0.22 0.09 0.00 0.00 178.44 177.77 1a91 h TYR 73 N 0.00 0.52 -0.20 1.13 3.20 -0.83 -2.05 116.97 118.74 1a91 h TYR 73 Ca -0.00 -0.38 -0.08 0.00 3.14 0.00 0.00 58.73 61.41 1a91 h TYR 73 Cb 0.76 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1a91 h TYR 73 CO 0.00 1.30 -0.23 0.28 -1.64 0.00 0.00 178.16 177.86 1a91 h VAL 74 N 0.08 1.25 0.00 1.81 2.07 -1.41 -2.13 116.25 117.92 1a91 h VAL 74 Ca -0.14 -1.16 -0.10 0.00 0.82 0.00 0.00 66.70 66.11 1a91 h VAL 74 Cb 1.98 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 33.09 1a91 h VAL 74 CO 0.21 0.36 -0.49 0.24 0.02 0.00 0.00 177.57 177.91 1a91 h MET 75 N 0.33 0.00 -0.31 1.57 2.86 -1.48 -2.84 114.93 115.06 1a91 h MET 75 Ca 0.05 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.56 1a91 h MET 75 Cb 0.60 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1a91 h MET 75 CO 0.04 0.49 -0.34 0.35 1.06 0.00 0.00 176.91 178.51 1a91 h PHE 76 N 0.00 0.80 0.00 -0.22 3.57 -1.10 -2.67 116.94 117.33 1a91 h PHE 76 Ca -0.00 -0.22 -0.02 0.00 3.53 0.00 0.00 57.97 61.26 1a91 h PHE 76 Cb 1.28 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.84 1a91 h PHE 76 CO 0.00 0.94 -0.09 0.00 -2.23 0.00 0.00 178.31 176.93 1a91 h ALA 77 N 1.04 1.02 -3.00 2.41 0.00 -1.15 -3.32 119.26 116.27 1a91 h ALA 77 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1a91 h ALA 77 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1a91 h ALA 77 CO 0.07 0.11 0.00 0.28 0.00 0.00 0.00 179.25 179.72 1a91 n VAL 78 N -3.23 0.00 1.41 0.00 0.31 -1.18 -5.11 118.33 110.53 1a91 n VAL 78 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.47 1a91 n VAL 78 Cb 0.35 -0.27 0.45 0.00 -0.91 0.00 0.00 33.84 33.46 1a91 n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51