#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 0.70 0.01 0.03 4.81 -2.00 -3.03 114.58 115.11 1a91 h GLU 2 Ca 0.00 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 58.95 1a91 h GLU 2 Cb 0.00 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1a91 h GLU 2 CO 0.00 0.83 -0.13 -0.97 -0.73 0.00 0.00 179.01 178.00 1a91 h ASN 3 N 0.63 0.10 -0.26 1.04 -0.73 -1.99 -2.95 115.58 111.42 1a91 h ASN 3 Ca 0.10 -0.84 0.07 0.00 1.87 0.00 0.00 56.30 57.50 1a91 h ASN 3 Cb 0.63 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.18 1a91 h ASN 3 CO 0.04 0.94 0.22 0.17 -0.37 0.00 0.00 177.43 178.43 1a91 h LEU 4 N -0.72 0.00 -0.03 0.34 8.10 -1.99 -0.74 115.31 120.27 1a91 h LEU 4 Ca -0.02 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.85 1a91 h LEU 4 Cb 0.96 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.19 1a91 h LEU 4 CO 0.03 0.00 -0.45 -1.13 -4.11 0.00 0.00 178.44 172.78 1a91 h ASN 5 N 0.00 0.45 0.05 0.17 -0.73 -1.55 -1.01 115.58 112.96 1a91 h ASN 5 Ca 0.12 -0.72 -0.05 0.00 1.87 0.00 0.00 56.30 57.53 1a91 h ASN 5 Cb 0.55 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 39.00 1a91 h ASN 5 CO -0.00 1.10 -0.13 0.24 -0.37 0.00 0.00 177.43 178.27 1a91 h MET 6 N -0.17 0.19 -0.22 6.67 2.86 -1.28 -1.33 114.93 121.65 1a91 h MET 6 Ca -0.05 -0.04 -0.19 0.00 -2.06 0.00 0.00 59.70 57.36 1a91 h MET 6 Cb 1.14 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.78 1a91 h MET 6 CO 0.09 0.33 -0.62 0.22 1.06 0.00 0.00 176.91 177.99 1a91 h ASP 7 N 0.18 0.85 0.34 1.22 3.58 -1.05 -2.23 116.42 119.32 1a91 h ASP 7 Ca 0.04 -0.49 -0.24 0.00 0.42 0.00 0.00 57.03 56.76 1a91 h ASP 7 Cb 0.35 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 41.16 1a91 h ASP 7 CO 0.02 1.27 -1.00 0.25 -2.88 0.00 0.00 179.24 176.90 1a91 h LEU 8 N 0.56 0.56 -0.08 2.28 5.85 -0.85 -1.59 115.31 122.04 1a91 h LEU 8 Ca -0.01 -0.47 -0.15 0.00 0.84 0.00 0.00 57.88 58.10 1a91 h LEU 8 Cb 1.22 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1a91 h LEU 8 CO 0.13 1.28 -0.70 -0.07 -0.34 0.00 0.00 178.44 178.73 1a91 h LEU 9 N 0.22 0.00 -0.22 2.25 3.38 -1.31 -0.88 115.31 118.75 1a91 h LEU 9 Ca -0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1a91 h LEU 9 Cb 1.65 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.39 1a91 h LEU 9 CO 0.17 0.70 -0.18 1.88 0.09 0.00 0.00 178.44 181.11 1a91 h TYR 10 N 0.00 0.60 0.00 1.13 0.05 -1.41 -3.17 116.97 114.17 1a91 h TYR 10 Ca -0.01 -0.17 -0.02 0.00 0.05 0.00 0.00 58.73 58.58 1a91 h TYR 10 Cb 1.51 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 39.11 1a91 h TYR 10 CO 0.00 0.83 -0.11 1.98 -1.05 0.00 0.00 178.16 179.82 1a91 h MET 11 N 0.19 0.00 0.68 4.88 4.05 -1.18 -1.94 114.93 121.61 1a91 h MET 11 Ca 0.04 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.43 1a91 h MET 11 Cb 0.72 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.52 1a91 h MET 11 CO 0.05 0.11 -0.32 0.00 0.23 0.00 0.00 176.91 176.97 1a91 h ALA 12 N 1.89 -0.91 0.00 0.39 0.00 -1.15 -1.75 119.26 117.74 1a91 h ALA 12 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1a91 h ALA 12 Cb 0.27 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1a91 h ALA 12 CO 0.01 -0.87 0.01 0.00 0.00 0.00 0.00 179.25 178.41 1a91 n ALA 13 N -2.67 0.99 -0.05 0.00 0.00 -1.10 -1.15 120.51 116.53 1a91 n ALA 13 Ca -0.12 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.26 1a91 n ALA 13 Cb 0.37 -0.97 -0.14 0.00 0.00 0.00 0.00 19.45 18.71 1a91 n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a91 n ALA 14 N -1.47 1.71 0.01 0.00 0.00 -0.75 -2.59 120.51 117.42 1a91 n ALA 14 Ca 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 53.44 52.41 1a91 n ALA 14 Cb 0.01 -0.53 -0.11 0.00 0.00 0.00 0.00 19.45 18.83 1a91 n ALA 14 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1a91 h VAL 15 N 0.00 0.74 0.06 0.00 3.04 -0.84 -2.63 116.25 116.61 1a91 h VAL 15 Ca -0.37 -2.41 -0.00 0.00 -1.01 0.00 0.00 66.70 62.91 1a91 h VAL 15 Cb 1.95 2.27 0.00 0.00 -2.01 0.00 0.00 31.29 33.50 1a91 h VAL 15 CO 0.04 0.42 -0.03 0.24 -1.01 0.00 0.00 177.57 177.23 1a91 h MET 16 N 0.00 -0.07 0.00 4.17 2.07 -1.30 -3.13 114.93 116.66 1a91 h MET 16 Ca -0.21 0.00 -0.06 0.00 -2.07 0.00 0.00 59.70 57.37 1a91 h MET 16 Cb 1.79 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 31.53 1a91 h MET 16 CO 0.07 -0.05 -0.36 0.52 1.07 0.00 0.00 176.91 178.16 1a91 h MET 17 N -1.02 0.00 -0.35 1.72 2.07 -1.69 -2.68 114.93 112.97 1a91 h MET 17 Ca -0.01 0.00 -0.15 0.00 -2.07 0.00 0.00 59.70 57.47 1a91 h MET 17 Cb 0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.78 1a91 h MET 17 CO 0.01 0.27 -0.36 0.78 1.07 0.00 0.00 176.91 178.68 1a91 h GLY 18 N 3.73 0.95 0.78 8.32 0.00 -1.61 -1.69 103.07 113.54 1a91 h GLY 18 Ca -0.01 -0.97 -0.00 0.00 0.00 0.00 0.00 47.33 46.35 1a91 h GLY 18 CO 0.04 0.88 -0.04 -2.00 0.00 0.00 0.00 176.54 175.41 1a91 h LEU 19 N 0.67 -0.09 0.03 3.11 6.46 -1.50 -3.09 115.31 120.89 1a91 h LEU 19 Ca 0.06 -0.19 -0.00 0.00 -0.12 0.00 0.00 57.88 57.62 1a91 h LEU 19 Cb 0.95 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.90 1a91 h LEU 19 CO 0.09 0.14 -0.01 0.00 -0.62 0.00 0.00 178.44 178.03 1a91 h ALA 20 N 0.57 -0.04 -0.21 1.25 0.00 -1.49 -2.80 119.26 116.54 1a91 h ALA 20 Ca -0.01 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.61 1a91 h ALA 20 Cb 0.28 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1a91 h ALA 20 CO 0.02 -0.10 0.23 0.00 0.00 0.00 0.00 179.25 179.41 1a91 h ALA 21 N -0.08 1.85 0.07 0.00 0.00 -1.48 -0.89 119.26 118.75 1a91 h ALA 21 Ca -0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 1a91 h ALA 21 Cb 0.72 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1a91 h ALA 21 CO 0.01 -0.34 -1.27 -0.84 0.00 0.00 0.00 179.25 176.80 1a91 h ILE 22 N 0.00 1.44 -0.74 0.00 -0.00 -1.60 -2.00 117.51 114.61 1a91 h ILE 22 Ca 0.10 -3.09 -0.02 0.00 -0.00 0.00 0.00 64.86 61.85 1a91 h ILE 22 Cb 0.57 2.83 -0.04 0.00 -0.00 0.00 0.00 36.82 40.18 1a91 h ILE 22 CO -0.00 0.87 0.38 1.23 -0.00 0.00 0.00 178.15 180.63 1a91 h GLY 23 N 2.24 1.11 0.38 0.16 0.00 -0.95 -1.59 103.07 104.43 1a91 h GLY 23 Ca -0.13 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 1a91 h GLY 23 CO 0.16 0.50 -0.27 0.00 0.00 0.00 0.00 176.54 176.92 1a91 h ALA 24 N 1.37 -1.06 -0.17 3.60 0.00 -1.31 -3.24 119.26 118.46 1a91 h ALA 24 Ca 0.26 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1a91 h ALA 24 Cb 0.07 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1a91 h ALA 24 CO -0.04 -1.05 -0.05 0.00 0.00 0.00 0.00 179.25 178.11 1a91 h ALA 25 N -1.44 1.61 -0.09 0.00 0.00 -0.53 -0.66 119.26 118.15 1a91 h ALA 25 Ca -0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1a91 h ALA 25 Cb 0.51 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1a91 h ALA 25 CO 0.03 0.29 -0.14 0.82 0.00 0.00 0.00 179.25 180.24 1a91 h ILE 26 N 0.24 1.39 -0.03 0.00 1.08 -1.48 -2.43 117.51 116.27 1a91 h ILE 26 Ca 0.05 -1.39 -0.18 0.00 -0.39 0.00 0.00 64.86 62.96 1a91 h ILE 26 Cb 0.25 2.08 0.01 0.00 -3.07 0.00 0.00 36.82 36.10 1a91 h ILE 26 CO 0.01 0.39 -0.68 1.23 -0.69 0.00 0.00 178.15 178.41 1a91 h GLY 27 N -0.18 0.58 2.00 5.37 0.00 -1.18 0.11 103.07 109.78 1a91 h GLY 27 Ca 0.01 -0.96 0.00 0.00 0.00 0.00 0.00 47.33 46.38 1a91 h GLY 27 CO 0.03 0.85 0.00 0.29 0.00 0.00 0.00 176.54 177.71 1a91 n ILE 28 N -4.13 0.65 -0.04 2.60 -5.35 -0.72 -0.08 119.36 112.30 1a91 n ILE 28 Ca -0.10 0.13 -0.13 0.00 -0.27 0.00 0.00 62.75 62.38 1a91 n ILE 28 Cb 0.71 -0.84 -0.11 0.00 -1.74 0.00 0.00 39.64 37.65 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 3.35 -0.01 0.00 3.28 0.00 -1.12 -2.78 103.07 105.79 1a91 h GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1a91 h GLY 29 CO 0.00 -0.00 0.00 1.39 0.00 0.00 0.00 176.54 177.93 1a91 n ILE 30 N -4.72 0.00 -0.13 2.60 5.41 0.35 -2.28 119.36 120.59 1a91 n ILE 30 Ca -0.09 1.06 -0.10 0.00 1.00 0.00 0.00 62.75 64.62 1a91 n ILE 30 Cb 0.37 -1.97 -0.02 0.00 -0.71 0.00 0.00 39.64 37.31 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 0.61 0.00 1.39 3.38 -0.72 -1.47 115.31 118.51 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 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1a91 h LEU 31 CO 0.00 0.74 -0.14 1.23 0.09 0.00 0.00 178.44 180.36 1a91 h GLY 32 N 0.46 0.00 1.37 0.83 0.00 -1.50 -1.90 103.07 102.33 1a91 h GLY 32 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.12 1a91 h GLY 32 CO 0.01 0.00 -1.38 -1.33 0.00 0.00 0.00 176.54 173.84 1a91 h GLY 33 N 4.17 0.54 1.73 4.60 0.00 -1.21 -3.05 103.07 109.85 1a91 h GLY 33 Ca 0.00 -1.35 -0.17 0.00 0.00 0.00 0.00 47.33 45.82 1a91 h GLY 33 CO 0.00 1.18 -0.70 1.70 0.00 0.00 0.00 176.54 178.72 1a91 h LYS 34 N 0.14 0.26 -0.50 4.80 3.64 -1.27 -3.05 116.57 120.59 1a91 h LYS 34 Ca -0.21 -0.21 -0.12 0.00 -1.27 0.00 0.00 60.65 58.84 1a91 h LYS 34 Cb 2.08 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.93 1a91 h LYS 34 CO 0.25 0.86 -0.15 0.74 -2.27 0.00 0.00 179.45 178.88 1a91 h PHE 35 N 0.18 1.09 0.00 1.91 -1.00 -1.42 -2.58 116.94 115.11 1a91 h PHE 35 Ca -0.02 -0.24 0.00 0.00 2.81 0.00 0.00 57.97 60.52 1a91 h PHE 35 Cb 1.25 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 40.54 1a91 h PHE 35 CO 0.03 1.04 0.00 -0.11 -1.61 0.00 0.00 178.31 177.66 1a91 n LEU 36 N -4.13 0.03 -0.12 1.54 0.00 -1.15 -2.78 117.00 110.38 1a91 n LEU 36 Ca 0.01 0.50 -0.11 0.00 0.00 0.00 0.00 56.01 56.41 1a91 n LEU 36 Cb 0.42 -0.50 -0.02 0.00 0.00 0.00 0.00 43.42 43.32 1a91 n LEU 36 CO 0.45 -0.10 0.70 -0.33 0.00 0.00 0.00 177.39 178.11 1a91 h GLU 37 N 0.00 0.72 0.00 1.96 5.08 -1.35 -2.44 114.58 118.55 1a91 h GLU 37 Ca 0.00 -0.29 -0.11 0.00 -1.00 0.00 0.00 59.36 57.96 1a91 h GLU 37 Cb 0.42 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1a91 h GLU 37 CO 0.00 0.88 -0.52 0.78 -1.00 0.00 0.00 179.01 179.15 1a91 h GLY 38 N 0.51 0.00 2.00 -3.84 0.00 -1.60 -3.17 103.07 96.98 1a91 h GLY 38 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 1a91 h GLY 38 CO 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.45 1a91 h ALA 39 N 1.48 0.99 0.27 3.60 0.00 -1.37 -3.22 119.26 121.00 1a91 h ALA 39 Ca -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1a91 h ALA 39 Cb 1.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1a91 h ALA 39 CO 0.07 0.17 -0.13 0.00 0.00 0.00 0.00 179.25 179.35 1a91 h ALA 40 N 1.87 -0.37 0.00 0.00 0.00 -1.40 -3.35 119.26 116.01 1a91 h ALA 40 Ca -0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 1a91 h ALA 40 Cb 0.75 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1a91 h ALA 40 CO 0.02 -0.42 -0.82 0.07 0.00 0.00 0.00 179.25 178.10 1a91 h ARG 41 N -0.95 0.00 -7.25 0.00 -0.00 -1.72 -3.45 114.38 101.02 1a91 h ARG 41 Ca -0.04 0.00 -0.48 0.00 -0.00 0.00 0.00 59.98 59.46 1a91 h ARG 41 Cb 0.49 0.00 0.06 0.00 -0.00 0.00 0.00 29.97 30.52 1a91 h ARG 41 CO 0.06 0.82 0.26 -0.65 -0.00 0.00 0.00 179.97 180.47 1a91 s GLN 42 N -2.82 2.88 0.65 0.08 -1.52 -1.22 -5.05 119.66 112.67 1a91 s GLN 42 Ca 0.02 0.16 -0.15 0.00 -1.95 0.00 0.00 55.36 53.44 1a91 s GLN 42 Cb 0.09 -2.18 -0.01 0.00 -0.22 0.00 0.00 33.01 30.69 1a91 s GLN 42 CO 0.79 -0.83 1.10 -1.25 -0.25 0.00 0.00 175.29 174.85 1a91 s PRO 43 N -5.13 2.91 -0.27 2.91 0.04 -1.26 -4.84 135.00 129.35 1a91 s PRO 43 Ca 0.55 1.33 -0.03 0.00 0.04 0.00 0.00 61.00 62.90 1a91 s PRO 43 Cb -0.11 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.52 1a91 s PRO 43 CO 0.47 -1.15 2.54 -0.25 0.04 0.00 0.00 177.00 178.65 1a91 n ASP 44 N -2.37 6.14 0.00 6.66 8.00 -1.26 -4.28 116.55 129.43 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 -1.19 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 1.02 0.88 0.01 0.64 -0.00 -1.26 -4.53 117.00 113.77 1a91 n LEU 45 Ca 0.35 0.01 -0.10 0.00 -0.00 0.00 0.00 56.01 56.27 1a91 n LEU 45 Cb 0.61 -0.04 -0.08 0.00 -0.00 0.00 0.00 43.42 43.92 1a91 n LEU 45 CO 0.27 -0.04 0.34 0.40 -0.00 0.00 0.00 177.39 178.37 1a91 h ILE 46 N 0.00 0.93 0.00 1.96 1.08 -2.00 -3.33 117.51 116.15 1a91 h ILE 46 Ca 0.00 -1.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.11 1a91 h ILE 46 Cb 0.00 1.63 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 1a91 h ILE 46 CO 0.00 0.27 0.00 -0.81 -0.69 0.00 0.00 178.15 176.92 1a91 n PRO 47 N -4.84 0.98 0.07 2.37 -0.04 -1.26 -2.26 135.00 130.03 1a91 n PRO 47 Ca -0.07 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.25 1a91 n PRO 47 Cb 0.27 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.00 0.52 -0.43 1.53 7.12 -1.80 -2.90 115.31 119.36 1a91 h LEU 48 Ca 0.00 -0.44 -0.09 0.00 0.13 0.00 0.00 57.88 57.48 1a91 h LEU 48 Cb 0.00 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 39.96 1a91 h LEU 48 CO 0.00 1.25 -0.09 0.25 -0.13 0.00 0.00 178.44 179.72 1a91 h LEU 49 N 0.20 0.82 -0.71 2.25 5.85 -1.58 -1.58 115.31 120.56 1a91 h LEU 49 Ca -0.09 -0.36 -0.14 0.00 0.84 0.00 0.00 57.88 58.13 1a91 h LEU 49 Cb 1.65 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 1a91 h LEU 49 CO 0.17 0.99 -0.61 0.08 -0.34 0.00 0.00 178.44 178.73 1a91 h ARG 50 N 0.64 0.14 -0.41 1.25 -0.00 -1.65 -2.89 114.38 111.47 1a91 h ARG 50 Ca 0.11 -0.10 -0.02 0.00 -0.00 0.00 0.00 59.98 59.97 1a91 h ARG 50 Cb 0.62 0.01 -0.02 0.00 -0.00 0.00 0.00 29.97 30.59 1a91 h ARG 50 CO 0.04 0.70 0.18 1.15 -0.00 0.00 0.00 179.97 182.04 1a91 h THR 51 N 0.10 1.19 0.36 0.08 2.02 -1.29 -2.98 112.91 112.39 1a91 h THR 51 Ca -0.01 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 1a91 h THR 51 Cb 1.09 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1a91 h THR 51 CO 0.09 0.21 -0.22 0.06 0.37 0.00 0.00 175.52 176.02 1a91 h GLN 52 N 0.51 -0.54 -1.08 6.66 3.07 -1.29 -2.87 115.11 119.57 1a91 h GLN 52 Ca 0.14 0.04 0.34 0.00 0.09 0.00 0.00 58.65 59.25 1a91 h GLN 52 Cb 0.16 0.12 -0.13 0.00 0.08 0.00 0.00 27.48 27.71 1a91 h GLN 52 CO -0.01 -0.36 0.65 0.35 0.09 0.00 0.00 178.83 179.55 1a91 h PHE 53 N -0.56 0.79 0.04 0.06 3.04 -1.48 0.23 116.94 119.06 1a91 h PHE 53 Ca -0.04 0.03 -0.24 0.00 3.98 0.00 0.00 57.97 61.70 1a91 h PHE 53 Cb 0.46 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.76 1a91 h PHE 53 CO -0.09 -0.14 -1.03 0.74 -2.02 0.00 0.00 178.31 175.77 1a91 h PHE 54 N 0.28 0.60 0.00 0.41 -1.00 -1.36 -1.40 116.94 114.47 1a91 h PHE 54 Ca 0.73 -0.36 -0.15 0.00 2.81 0.00 0.00 57.97 61.00 1a91 h PHE 54 Cb 1.85 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 41.33 1a91 h PHE 54 CO -0.01 1.20 -0.72 0.82 -1.61 0.00 0.00 178.31 177.99 1a91 h ILE 55 N 0.19 1.43 -0.03 -0.55 1.08 -0.47 -2.54 117.51 116.62 1a91 h ILE 55 Ca -0.10 -2.54 -0.22 0.00 -0.39 0.00 0.00 64.86 61.62 1a91 h ILE 55 Cb 1.69 2.40 0.00 0.00 -3.07 0.00 0.00 36.82 37.84 1a91 h ILE 55 CO 0.18 0.70 -0.88 0.58 -0.69 0.00 0.00 178.15 178.04 1a91 h VAL 56 N 0.00 1.38 -0.69 1.67 2.07 -0.81 -1.33 116.25 118.54 1a91 h VAL 56 Ca -0.01 -2.34 0.13 0.00 0.82 0.00 0.00 66.70 65.31 1a91 h VAL 56 Cb 1.35 2.31 -0.04 0.00 -1.52 0.00 0.00 31.29 33.38 1a91 h VAL 56 CO 0.09 0.70 0.47 -0.03 0.02 0.00 0.00 177.57 178.82 1a91 h MET 57 N 0.27 0.39 0.00 1.57 1.85 -1.18 -1.43 114.93 116.40 1a91 h MET 57 Ca -0.07 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 58.99 1a91 h MET 57 Cb 1.50 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 33.44 1a91 h MET 57 CO 0.15 0.26 -0.26 0.78 -0.40 0.00 0.00 176.91 177.44 1a91 h GLY 58 N 0.40 0.00 1.79 1.39 0.00 -0.98 -2.90 103.07 102.77 1a91 h GLY 58 Ca 0.33 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.51 1a91 h GLY 58 CO -0.10 0.00 -0.86 -2.00 0.00 0.00 0.00 176.54 173.58 1a91 h LEU 59 N 0.00 0.00 -0.41 3.11 5.85 -0.55 -2.79 115.31 120.52 1a91 h LEU 59 Ca -0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 1a91 h LEU 59 Cb 1.04 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1a91 h LEU 59 CO 0.01 0.69 -0.59 0.58 -0.34 0.00 0.00 178.44 178.79 1a91 h VAL 60 N 0.00 1.15 0.00 1.05 2.07 -1.27 -2.56 116.25 116.69 1a91 h VAL 60 Ca -0.05 -2.26 -0.08 0.00 0.82 0.00 0.00 66.70 65.13 1a91 h VAL 60 Cb 1.57 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 33.65 1a91 h VAL 60 CO 0.08 0.58 -0.36 -0.78 0.02 0.00 0.00 177.57 177.11 1a91 h ASP 61 N 0.00 0.00 1.28 0.57 1.82 -1.43 -3.06 116.42 115.60 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 1.28 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.29 1a91 h ASP 61 CO 0.08 0.36 -0.58 0.00 -1.61 0.00 0.00 179.24 177.50 1a91 h ALA 62 N 1.64 0.69 -0.01 -0.78 0.00 -1.30 -3.40 119.26 116.10 1a91 h ALA 62 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1a91 h ALA 62 Cb 1.02 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1a91 h ALA 62 CO 0.05 0.00 -0.50 0.82 0.00 0.00 0.00 179.25 179.62 1a91 h ILE 63 N 0.00 0.05 0.00 0.00 1.08 -1.35 -2.57 117.51 114.72 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 0.93 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.73 1a91 h ILE 63 CO 0.00 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 176.65 1a91 n PRO 64 N -5.46 0.18 0.28 2.37 -0.04 -1.26 -2.19 135.00 128.88 1a91 n PRO 64 Ca -0.07 0.15 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1a91 n PRO 64 Cb 0.39 -1.71 -0.06 0.00 -0.04 0.00 0.00 33.50 32.08 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 -0.73 0.03 0.54 -1.53 -1.77 -3.12 114.93 108.35 1a91 h MET 65 Ca 0.00 0.05 -0.22 0.00 -3.44 0.00 0.00 59.70 56.09 1a91 h MET 65 Cb 0.66 0.17 -0.02 0.00 -0.55 0.00 0.00 31.60 31.85 1a91 h MET 65 CO 0.00 -0.46 -1.04 0.97 0.14 0.00 0.00 176.91 176.51 1a91 h ILE 66 N -1.17 1.65 0.00 1.77 -0.00 -1.23 -0.50 117.51 118.02 1a91 h ILE 66 Ca -0.08 -3.27 -0.17 0.00 -0.00 0.00 0.00 64.86 61.35 1a91 h ILE 66 Cb 0.60 2.84 -0.02 0.00 -0.00 0.00 0.00 36.82 40.24 1a91 h ILE 66 CO 0.13 0.94 -0.80 0.00 -0.00 0.00 0.00 178.15 178.42 1a91 h ALA 67 N 0.91 0.56 0.00 0.18 0.00 -1.62 -1.20 119.26 118.09 1a91 h ALA 67 Ca -0.04 -0.73 -0.20 0.00 0.00 0.00 0.00 54.91 53.94 1a91 h ALA 67 Cb 1.79 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 1a91 h ALA 67 CO 0.15 1.00 -1.10 0.28 0.00 0.00 0.00 179.25 179.58 1a91 h VAL 68 N 0.00 1.22 0.00 0.00 2.07 -1.50 -3.01 116.25 115.02 1a91 h VAL 68 Ca -0.01 -2.86 0.00 0.00 0.82 0.00 0.00 66.70 64.65 1a91 h VAL 68 Cb 1.53 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.88 1a91 h VAL 68 CO 0.10 0.69 0.00 1.23 0.02 0.00 0.00 177.57 179.62 1a91 h GLY 69 N 3.29 0.00 1.20 2.17 0.00 -1.01 -1.65 103.07 107.06 1a91 h GLY 69 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.00 1a91 h GLY 69 CO 0.10 0.00 -0.89 -2.00 0.00 0.00 0.00 176.54 173.75 1a91 h LEU 70 N 0.00 0.94 -0.21 3.11 6.46 -1.21 -0.94 115.31 123.46 1a91 h LEU 70 Ca 0.00 -0.67 -0.22 0.00 -0.12 0.00 0.00 57.88 56.87 1a91 h LEU 70 Cb 0.76 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.40 1a91 h LEU 70 CO 0.00 1.47 -0.92 1.23 -0.62 0.00 0.00 178.44 179.60 1a91 h GLY 71 N 0.50 0.40 2.00 3.75 0.00 -1.37 -2.31 103.07 106.04 1a91 h GLY 71 Ca -0.09 -0.70 -0.12 0.00 0.00 0.00 0.00 47.33 46.42 1a91 h GLY 71 CO 0.18 0.62 -0.59 1.41 0.00 0.00 0.00 176.54 178.16 1a91 h LEU 72 N 0.20 0.00 0.07 3.11 3.38 -1.38 -2.62 115.31 118.07 1a91 h LEU 72 Ca -0.07 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.65 1a91 h LEU 72 Cb 1.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1a91 h LEU 72 CO 0.15 0.59 -1.15 0.22 0.09 0.00 0.00 178.44 178.34 1a91 h TYR 73 N 0.00 0.26 -0.03 1.13 3.20 -1.10 -2.14 116.97 118.29 1a91 h TYR 73 Ca -0.01 -0.19 -0.08 0.00 3.14 0.00 0.00 58.73 61.59 1a91 h TYR 73 Cb 1.34 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 1a91 h TYR 73 CO 0.00 1.15 -0.36 0.28 -1.64 0.00 0.00 178.16 177.59 1a91 h VAL 74 N 0.04 1.27 -0.12 1.81 2.07 -1.46 -2.24 116.25 117.62 1a91 h VAL 74 Ca -0.08 -1.29 -0.20 0.00 0.82 0.00 0.00 66.70 65.95 1a91 h VAL 74 Cb 1.88 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 1a91 h VAL 74 CO 0.17 0.37 -0.73 -0.03 0.02 0.00 0.00 177.57 177.37 1a91 h MET 75 N 0.05 0.59 -0.22 1.57 1.85 -1.35 -2.77 114.93 114.65 1a91 h MET 75 Ca 0.00 -0.47 -0.03 0.00 -0.61 0.00 0.00 59.70 58.60 1a91 h MET 75 Cb 0.67 0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.78 1a91 h MET 75 CO 0.05 1.09 0.02 0.35 -0.40 0.00 0.00 176.91 178.02 1a91 h PHE 76 N 0.41 0.32 0.00 1.39 3.57 -1.21 -2.71 116.94 118.70 1a91 h PHE 76 Ca -0.03 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 1a91 h PHE 76 Cb 1.32 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 1a91 h PHE 76 CO 0.06 0.31 -0.11 0.00 -2.23 0.00 0.00 178.31 176.35 1a91 h ALA 77 N 1.72 0.99 0.05 2.41 0.00 -1.11 -2.85 119.26 120.46 1a91 h ALA 77 Ca 0.08 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1a91 h ALA 77 Cb 0.18 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1a91 h ALA 77 CO 0.00 0.14 -0.44 0.28 0.00 0.00 0.00 179.25 179.23 1a91 h VAL 78 N 0.00 1.59 0.00 0.00 2.07 -1.44 -3.51 116.25 114.96 1a91 h VAL 78 Ca -0.00 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.23 1a91 h VAL 78 Cb 0.74 3.07 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 1a91 h VAL 78 CO 0.01 0.63 0.00 0.00 0.02 0.00 0.00 177.57 178.23