#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 0.05 -0.02 0.03 4.81 -2.04 -1.90 114.58 115.51 1a91 h GLU 2 Ca 0.00 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1a91 h GLU 2 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1a91 h GLU 2 CO 0.00 0.54 -0.06 -0.91 -0.73 0.00 0.00 179.01 177.85 1a91 h ASN 3 N 0.04 0.09 -0.32 1.04 2.35 -2.00 -2.60 115.58 114.19 1a91 h ASN 3 Ca -0.00 -0.60 0.09 0.00 -0.55 0.00 0.00 56.30 55.24 1a91 h ASN 3 Cb 0.91 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 1a91 h ASN 3 CO 0.07 0.67 0.25 -0.07 -1.65 0.00 0.00 177.43 176.70 1a91 h LEU 4 N -0.48 0.00 -0.04 1.61 3.38 -1.98 -1.07 115.31 116.73 1a91 h LEU 4 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1a91 h LEU 4 Cb 0.66 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.42 1a91 h LEU 4 CO 0.01 0.00 -0.55 -1.13 0.09 0.00 0.00 178.44 176.86 1a91 h ASN 5 N 0.00 0.55 0.87 -0.43 -0.73 -1.22 -1.11 115.58 113.51 1a91 h ASN 5 Ca 0.15 -0.71 -0.06 0.00 1.87 0.00 0.00 56.30 57.54 1a91 h ASN 5 Cb 0.65 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 39.07 1a91 h ASN 5 CO -0.00 1.19 -0.29 0.24 -0.37 0.00 0.00 177.43 178.19 1a91 h MET 6 N -0.03 0.00 -0.17 6.67 2.86 -1.20 -1.20 114.93 121.86 1a91 h MET 6 Ca -0.06 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.44 1a91 h MET 6 Cb 1.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.90 1a91 h MET 6 CO 0.11 0.29 -0.44 0.22 1.06 0.00 0.00 176.91 178.15 1a91 h ASP 7 N 0.00 0.68 0.11 1.22 3.58 -1.10 -2.43 116.42 118.48 1a91 h ASP 7 Ca -0.00 -0.58 -0.16 0.00 0.42 0.00 0.00 57.03 56.71 1a91 h ASP 7 Cb 0.81 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 1a91 h ASP 7 CO 0.04 1.14 -0.56 0.25 -2.88 0.00 0.00 179.24 177.23 1a91 h LEU 8 N 0.26 0.53 -0.47 2.28 5.85 -1.04 -2.22 115.31 120.50 1a91 h LEU 8 Ca -0.01 -0.28 -0.11 0.00 0.84 0.00 0.00 57.88 58.32 1a91 h LEU 8 Cb 1.05 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1a91 h LEU 8 CO 0.10 0.97 -0.16 0.25 -0.34 0.00 0.00 178.44 179.26 1a91 h LEU 9 N 0.36 0.95 -0.05 2.25 5.85 -1.26 -0.31 115.31 123.09 1a91 h LEU 9 Ca 0.00 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 1a91 h LEU 9 Cb 1.09 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 1a91 h LEU 9 CO 0.10 1.11 -0.04 0.22 -0.34 0.00 0.00 178.44 179.49 1a91 h TYR 10 N 0.78 0.14 0.00 1.25 5.03 -1.40 -2.88 116.97 119.90 1a91 h TYR 10 Ca 0.11 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.38 1a91 h TYR 10 Cb 0.72 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.97 1a91 h TYR 10 CO 0.05 0.56 0.00 0.52 -1.32 0.00 0.00 178.16 177.97 1a91 h MET 11 N -0.31 0.00 0.08 1.82 2.86 -1.43 -2.85 114.93 115.10 1a91 h MET 11 Ca 0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1a91 h MET 11 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1a91 h MET 11 CO 0.01 0.00 -0.04 0.00 1.06 0.00 0.00 176.91 177.94 1a91 h ALA 12 N 2.15 -0.11 -0.42 6.32 0.00 -0.82 -2.00 119.26 124.39 1a91 h ALA 12 Ca 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1a91 h ALA 12 Cb 0.35 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1a91 h ALA 12 CO 0.00 -0.42 0.28 0.00 0.00 0.00 0.00 179.25 179.11 1a91 h ALA 13 N 0.51 1.84 0.00 0.00 0.00 -1.49 -0.09 119.26 120.03 1a91 h ALA 13 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1a91 h ALA 13 Cb 0.33 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1a91 h ALA 13 CO 0.02 0.11 -0.33 0.00 0.00 0.00 0.00 179.25 179.05 1a91 h ALA 14 N 1.76 0.84 0.00 0.00 0.00 -1.37 0.24 119.26 120.73 1a91 h ALA 14 Ca 0.17 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1a91 h ALA 14 Cb 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1a91 h ALA 14 CO -0.04 0.07 -1.27 0.28 0.00 0.00 0.00 179.25 178.29 1a91 h VAL 15 N 0.00 0.69 0.00 0.00 2.07 -1.16 -2.83 116.25 115.03 1a91 h VAL 15 Ca -0.00 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.28 1a91 h VAL 15 Cb 1.04 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1a91 h VAL 15 CO 0.01 0.40 -0.01 0.24 0.02 0.00 0.00 177.57 178.22 1a91 h MET 16 N 0.00 0.00 0.00 1.57 2.86 -0.70 -3.14 114.93 115.52 1a91 h MET 16 Ca -0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1a91 h MET 16 Cb 1.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.28 1a91 h MET 16 CO 0.06 0.00 -0.07 0.00 1.06 0.00 0.00 176.91 177.96 1a91 h MET 17 N -0.12 0.00 0.12 1.72 -0.00 -1.13 -1.94 114.93 113.58 1a91 h MET 17 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 1a91 h MET 17 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.61 1a91 h MET 17 CO 0.00 0.00 -0.06 0.78 -0.00 0.00 0.00 176.91 177.63 1a91 h GLY 18 N 4.34 -0.17 0.64 -3.00 0.00 -1.58 -3.06 103.07 100.24 1a91 h GLY 18 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 1a91 h GLY 18 CO 0.00 -0.06 -0.31 -2.00 0.00 0.00 0.00 176.54 174.17 1a91 h LEU 19 N -0.49 -0.72 0.08 3.11 6.46 -1.50 -3.20 115.31 119.05 1a91 h LEU 19 Ca -0.02 0.02 -0.25 0.00 -0.12 0.00 0.00 57.88 57.52 1a91 h LEU 19 Cb 0.39 0.19 0.02 0.00 -0.73 0.00 0.00 40.66 40.53 1a91 h LEU 19 CO 0.03 -0.43 -1.03 0.00 -0.62 0.00 0.00 178.44 176.39 1a91 h ALA 20 N -1.43 0.01 -0.68 1.25 0.00 -1.49 -1.39 119.26 115.54 1a91 h ALA 20 Ca -0.09 -0.71 0.10 0.00 0.00 0.00 0.00 54.91 54.21 1a91 h ALA 20 Cb 0.65 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1a91 h ALA 20 CO 0.14 0.58 0.45 0.00 0.00 0.00 0.00 179.25 180.42 1a91 h ALA 21 N 0.28 1.91 0.03 0.00 0.00 -1.73 -0.24 119.26 119.51 1a91 h ALA 21 Ca -0.15 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.50 1a91 h ALA 21 Cb 1.73 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 1a91 h ALA 21 CO 0.20 -0.05 -1.23 0.82 0.00 0.00 0.00 179.25 178.99 1a91 h ILE 22 N 0.55 1.46 -0.09 0.00 5.03 -1.52 -1.46 117.51 121.47 1a91 h ILE 22 Ca 0.31 -3.17 -0.10 0.00 -0.12 0.00 0.00 64.86 61.78 1a91 h ILE 22 Cb 0.50 2.77 -0.01 0.00 -3.03 0.00 0.00 36.82 37.04 1a91 h ILE 22 CO -0.10 0.86 -0.40 1.23 -0.68 0.00 0.00 178.15 179.06 1a91 h GLY 23 N 2.77 0.22 0.52 5.37 0.00 -0.94 -2.16 103.07 108.84 1a91 h GLY 23 Ca -0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 1a91 h GLY 23 CO 0.13 0.19 -0.30 0.00 0.00 0.00 0.00 176.54 176.55 1a91 h ALA 24 N 1.42 -1.15 -0.97 3.60 0.00 -1.05 -3.20 119.26 117.90 1a91 h ALA 24 Ca 0.02 -0.16 0.32 0.00 0.00 0.00 0.00 54.91 55.08 1a91 h ALA 24 Cb 0.78 0.40 -0.16 0.00 0.00 0.00 0.00 17.79 18.82 1a91 h ALA 24 CO 0.06 -1.12 0.43 0.00 0.00 0.00 0.00 179.25 178.63 1a91 h ALA 25 N -1.49 1.77 0.29 0.00 0.00 -0.84 -0.26 119.26 118.73 1a91 h ALA 25 Ca -0.07 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1a91 h ALA 25 Cb 0.61 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1a91 h ALA 25 CO 0.08 -0.63 -0.14 0.82 0.00 0.00 0.00 179.25 179.38 1a91 h ILE 26 N 0.19 0.75 0.00 0.00 2.04 -1.51 -2.78 117.51 116.21 1a91 h ILE 26 Ca 0.71 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 66.13 1a91 h ILE 26 Cb 1.63 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1a91 h ILE 26 CO -0.69 0.09 -0.25 1.23 0.00 0.00 0.00 178.15 178.54 1a91 h GLY 27 N -0.62 0.00 2.00 5.37 0.00 -1.08 0.18 103.07 108.92 1a91 h GLY 27 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 1a91 h GLY 27 CO 0.06 0.00 -0.56 -2.22 0.00 0.00 0.00 176.54 173.82 1a91 h ILE 28 N 0.00 1.19 -0.01 2.60 2.04 -1.41 -0.07 117.51 121.86 1a91 h ILE 28 Ca 0.00 -2.07 -0.04 0.00 1.00 0.00 0.00 64.86 63.75 1a91 h ILE 28 Cb 0.88 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 1a91 h ILE 28 CO 0.00 0.55 -0.14 1.23 0.00 0.00 0.00 178.15 179.79 1a91 h GLY 29 N 2.28 0.12 0.00 5.37 0.00 -1.04 -2.51 103.07 107.28 1a91 h GLY 29 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1a91 h GLY 29 CO 0.07 0.17 0.00 1.39 0.00 0.00 0.00 176.54 178.18 1a91 n ILE 30 N -4.60 0.00 -0.08 2.60 5.41 0.55 -2.46 119.36 120.77 1a91 n ILE 30 Ca -0.09 0.90 -0.05 0.00 1.00 0.00 0.00 62.75 64.50 1a91 n ILE 30 Cb 0.44 -1.72 0.15 0.00 -0.71 0.00 0.00 39.64 37.80 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 0.72 0.00 1.39 3.38 -1.20 -0.48 115.31 119.12 1a91 h LEU 31 Ca 0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1a91 h LEU 31 Cb 0.00 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1a91 h LEU 31 CO 0.00 0.85 -0.19 1.23 0.09 0.00 0.00 178.44 180.42 1a91 h GLY 32 N 0.97 0.00 1.63 0.83 0.00 -1.43 -1.65 103.07 103.42 1a91 h GLY 32 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.19 1a91 h GLY 32 CO 0.03 0.00 -1.17 -1.33 0.00 0.00 0.00 176.54 174.07 1a91 h GLY 33 N 3.90 0.33 1.91 4.60 0.00 -1.10 -3.16 103.07 109.54 1a91 h GLY 33 Ca -0.00 -0.77 -0.15 0.00 0.00 0.00 0.00 47.33 46.41 1a91 h GLY 33 CO 0.01 0.67 -0.68 1.70 0.00 0.00 0.00 176.54 178.25 1a91 h LYS 34 N 0.10 0.09 -0.44 4.80 3.64 -1.08 -3.10 116.57 120.58 1a91 h LYS 34 Ca -0.12 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.08 1a91 h LYS 34 Cb 1.88 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.70 1a91 h LYS 34 CO 0.19 0.73 -0.17 0.35 -2.27 0.00 0.00 179.45 178.29 1a91 h PHE 35 N 0.06 0.96 0.00 1.91 3.57 -1.34 -2.32 116.94 119.77 1a91 h PHE 35 Ca -0.01 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1a91 h PHE 35 Cb 1.20 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1a91 h PHE 35 CO 0.01 0.95 0.00 -0.11 -2.23 0.00 0.00 178.31 176.93 1a91 n LEU 36 N -4.13 0.64 -0.13 0.59 0.00 -1.19 -3.05 117.00 109.72 1a91 n LEU 36 Ca 0.01 0.59 -0.08 0.00 0.00 0.00 0.00 56.01 56.53 1a91 n LEU 36 Cb 0.41 -0.43 0.07 0.00 0.00 0.00 0.00 43.42 43.47 1a91 n LEU 36 CO 0.45 -0.29 0.75 -0.33 0.00 0.00 0.00 177.39 177.97 1a91 h GLU 37 N 0.00 0.88 -0.14 1.96 4.39 -1.34 -1.53 114.58 118.80 1a91 h GLU 37 Ca 0.00 -0.32 -0.18 0.00 0.34 0.00 0.00 59.36 59.20 1a91 h GLU 37 Cb 0.57 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1a91 h GLU 37 CO 0.00 0.97 -0.66 0.78 -1.16 0.00 0.00 179.01 178.93 1a91 h GLY 38 N 0.96 0.59 2.00 -3.84 0.00 -1.59 -3.23 103.07 97.96 1a91 h GLY 38 Ca 0.12 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1a91 h GLY 38 CO 0.05 0.69 0.00 0.00 0.00 0.00 0.00 176.54 177.28 1a91 h ALA 39 N 0.88 1.00 0.16 3.60 0.00 -1.41 -3.11 119.26 120.38 1a91 h ALA 39 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1a91 h ALA 39 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1a91 h ALA 39 CO 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 179.25 179.30 1a91 h ALA 40 N 2.09 -0.21 0.00 0.00 0.00 -1.30 -3.31 119.26 116.53 1a91 h ALA 40 Ca 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1a91 h ALA 40 Cb 0.48 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1a91 h ALA 40 CO 0.00 -0.33 -0.37 0.07 0.00 0.00 0.00 179.25 178.62 1a91 h ARG 41 N -0.79 0.00 -7.42 0.00 -0.00 -1.72 -3.44 114.38 101.01 1a91 h ARG 41 Ca -0.02 0.00 -0.48 0.00 -0.00 0.00 0.00 59.98 59.48 1a91 h ARG 41 Cb 0.53 0.00 0.08 0.00 -0.00 0.00 0.00 29.97 30.58 1a91 h ARG 41 CO 0.04 0.35 0.33 -0.65 -0.00 0.00 0.00 179.97 180.04 1a91 s GLN 42 N -3.03 2.46 0.61 0.08 1.11 -1.18 -5.05 119.66 114.65 1a91 s GLN 42 Ca 0.05 0.13 -0.17 0.00 0.01 0.00 0.00 55.36 55.38 1a91 s GLN 42 Cb 0.07 -2.07 -0.03 0.00 -1.01 0.00 0.00 33.01 29.97 1a91 s GLN 42 CO 0.72 -1.19 1.10 -1.25 0.01 0.00 0.00 175.29 174.69 1a91 s PRO 43 N -5.34 3.11 -0.26 2.91 0.04 -1.26 -4.87 135.00 129.33 1a91 s PRO 43 Ca 0.59 1.41 -0.02 0.00 0.04 0.00 0.00 61.00 63.02 1a91 s PRO 43 Cb -0.11 -1.99 0.10 0.00 0.04 0.00 0.00 34.50 32.55 1a91 s PRO 43 CO 0.48 -1.01 2.31 -0.40 0.04 0.00 0.00 177.00 178.43 1a91 n ASP 44 N -1.96 6.17 0.00 6.66 5.75 -1.26 -4.28 116.55 127.63 1a91 n ASP 44 Ca 0.10 -2.93 0.00 0.00 -0.01 0.00 0.00 54.79 51.95 1a91 n ASP 44 Cb 0.52 -1.14 0.00 0.00 -1.03 0.00 0.00 41.12 39.47 1a91 n ASP 44 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1a91 n LEU 45 N 0.84 0.95 -0.00 -2.12 7.94 -1.26 -4.49 117.00 118.85 1a91 n LEU 45 Ca 0.30 0.01 -0.10 0.00 -1.11 0.00 0.00 56.01 55.10 1a91 n LEU 45 Cb 0.59 -0.03 -0.08 0.00 0.53 0.00 0.00 43.42 44.43 1a91 n LEU 45 CO 0.28 -0.03 0.36 0.40 -1.11 0.00 0.00 177.39 177.29 1a91 h ILE 46 N 0.00 1.06 -0.03 1.96 2.04 -2.01 -3.32 117.51 117.21 1a91 h ILE 46 Ca 0.00 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.38 1a91 h ILE 46 Cb 0.00 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1a91 h ILE 46 CO 0.00 0.31 0.00 -0.81 0.00 0.00 0.00 178.15 177.65 1a91 n PRO 47 N -4.80 1.16 0.10 2.37 -0.04 -1.26 -1.78 135.00 130.74 1a91 n PRO 47 Ca -0.07 -0.24 -0.03 0.00 -0.04 0.00 0.00 63.50 63.12 1a91 n PRO 47 Cb 0.29 -1.34 -0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.49 0.00 -0.32 1.53 5.85 -1.79 -3.02 115.31 118.06 1a91 h LEU 48 Ca 0.00 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.52 1a91 h LEU 48 Cb 0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1a91 h LEU 48 CO 0.00 0.78 -0.74 0.17 -0.34 0.00 0.00 178.44 178.31 1a91 h LEU 49 N 0.00 0.66 -0.62 2.25 8.10 -1.47 -1.90 115.31 122.33 1a91 h LEU 49 Ca -0.01 -0.43 -0.15 0.00 0.11 0.00 0.00 57.88 57.40 1a91 h LEU 49 Cb 1.50 -0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 41.52 1a91 h LEU 49 CO 0.10 1.19 -0.63 0.08 -4.11 0.00 0.00 178.44 175.08 1a91 h ARG 50 N 0.38 0.23 -0.53 0.17 -0.00 -1.64 -2.75 114.38 110.24 1a91 h ARG 50 Ca -0.04 -0.16 -0.03 0.00 -0.00 0.00 0.00 59.98 59.75 1a91 h ARG 50 Cb 1.34 0.03 -0.02 0.00 -0.00 0.00 0.00 29.97 31.31 1a91 h ARG 50 CO 0.14 0.78 0.23 1.15 -0.00 0.00 0.00 179.97 182.26 1a91 h THR 51 N 0.17 1.21 -0.07 0.08 2.02 -1.39 -2.69 112.91 112.23 1a91 h THR 51 Ca -0.01 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1a91 h THR 51 Cb 1.14 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1a91 h THR 51 CO 0.10 0.24 0.02 0.06 0.37 0.00 0.00 175.52 176.31 1a91 h GLN 52 N 0.71 0.11 -1.03 6.66 3.07 -1.36 -2.51 115.11 120.76 1a91 h GLN 52 Ca 0.18 -0.02 0.29 0.00 0.09 0.00 0.00 58.65 59.18 1a91 h GLN 52 Cb 0.17 -0.02 -0.06 0.00 0.08 0.00 0.00 27.48 27.66 1a91 h GLN 52 CO -0.02 0.27 0.72 0.35 0.09 0.00 0.00 178.83 180.24 1a91 h PHE 53 N -0.08 0.21 0.05 0.06 3.57 -1.45 -1.20 116.94 118.10 1a91 h PHE 53 Ca 0.02 0.01 -0.24 0.00 3.53 0.00 0.00 57.97 61.29 1a91 h PHE 53 Cb 0.21 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 1a91 h PHE 53 CO -0.01 0.03 -1.05 0.74 -2.23 0.00 0.00 178.31 175.79 1a91 h PHE 54 N 0.13 0.47 0.00 0.41 -1.00 -1.11 0.12 116.94 115.96 1a91 h PHE 54 Ca 0.52 -0.30 -0.07 0.00 2.81 0.00 0.00 57.97 60.93 1a91 h PHE 54 Cb 1.80 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 41.32 1a91 h PHE 54 CO -0.00 1.16 -0.32 -0.84 -1.61 0.00 0.00 178.31 176.70 1a91 h ILE 55 N 0.13 0.61 -0.05 -0.55 3.07 -1.02 -2.67 117.51 117.03 1a91 h ILE 55 Ca -0.09 -1.61 -0.25 0.00 1.55 0.00 0.00 64.86 64.46 1a91 h ILE 55 Cb 1.73 2.11 0.02 0.00 -0.27 0.00 0.00 36.82 40.41 1a91 h ILE 55 CO 0.17 0.31 -0.93 0.58 -1.05 0.00 0.00 178.15 177.24 1a91 h VAL 56 N 0.00 1.29 -0.56 0.16 2.07 -1.45 -0.95 116.25 116.81 1a91 h VAL 56 Ca -0.00 -2.14 0.14 0.00 0.82 0.00 0.00 66.70 65.51 1a91 h VAL 56 Cb 1.08 2.27 -0.03 0.00 -1.52 0.00 0.00 31.29 33.10 1a91 h VAL 56 CO 0.04 0.67 0.39 -0.03 0.02 0.00 0.00 177.57 178.66 1a91 h MET 57 N 0.40 0.15 0.00 1.57 1.85 -0.88 -1.75 114.93 116.26 1a91 h MET 57 Ca -0.10 -0.01 -0.07 0.00 -0.61 0.00 0.00 59.70 58.91 1a91 h MET 57 Cb 1.58 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 33.56 1a91 h MET 57 CO 0.19 0.10 -1.10 0.78 -0.40 0.00 0.00 176.91 176.47 1a91 h GLY 58 N 0.15 0.00 1.18 1.39 0.00 -1.24 -3.05 103.07 101.51 1a91 h GLY 58 Ca 0.27 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.28 1a91 h GLY 58 CO -0.04 0.00 -1.41 -2.00 0.00 0.00 0.00 176.54 173.09 1a91 h LEU 59 N 0.00 0.81 -0.42 3.11 5.85 -0.73 -3.04 115.31 120.88 1a91 h LEU 59 Ca -0.07 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 57.73 1a91 h LEU 59 Cb 1.25 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1a91 h LEU 59 CO 0.02 1.68 0.00 1.62 -0.34 0.00 0.00 178.44 181.42 1a91 h VAL 60 N 0.08 0.00 -0.24 1.05 3.04 -1.47 -1.68 116.25 117.04 1a91 h VAL 60 Ca -0.25 -0.75 -0.16 0.00 -1.01 0.00 0.00 66.70 64.53 1a91 h VAL 60 Cb 2.11 1.74 0.00 0.00 -2.01 0.00 0.00 31.29 33.13 1a91 h VAL 60 CO 0.26 0.00 -0.48 -0.78 -1.01 0.00 0.00 177.57 175.56 1a91 h ASP 61 N 0.00 0.83 0.57 3.17 1.82 -1.55 -3.35 116.42 117.91 1a91 h ASP 61 Ca 0.00 -0.55 -0.28 0.00 -0.39 0.00 0.00 57.03 55.81 1a91 h ASP 61 Cb 0.80 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.54 1a91 h ASP 61 CO 0.00 1.22 -1.52 0.00 -1.61 0.00 0.00 179.24 177.33 1a91 h ALA 62 N 0.63 0.52 -0.60 -0.78 0.00 -1.40 -3.40 119.26 114.23 1a91 h ALA 62 Ca 0.01 -1.24 0.12 0.00 0.00 0.00 0.00 54.91 53.81 1a91 h ALA 62 Cb 1.08 0.30 -0.11 0.00 0.00 0.00 0.00 17.79 19.07 1a91 h ALA 62 CO 0.11 1.37 -0.04 0.82 0.00 0.00 0.00 179.25 181.50 1a91 h ILE 63 N 0.02 0.47 -0.01 0.00 1.08 -1.44 -2.34 117.51 115.29 1a91 h ILE 63 Ca -0.22 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 1a91 h ILE 63 Cb 1.96 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 36.09 1a91 h ILE 63 CO 0.11 0.01 0.00 -0.81 -0.69 0.00 0.00 178.15 176.78 1a91 n PRO 64 N -5.31 1.35 -0.05 2.37 -0.04 -1.26 -1.99 135.00 130.07 1a91 n PRO 64 Ca 0.08 -0.51 -0.20 0.00 -0.04 0.00 0.00 63.50 62.84 1a91 n PRO 64 Cb 0.34 -1.48 -0.13 0.00 -0.04 0.00 0.00 33.50 32.19 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 -0.38 0.72 0.06 0.54 2.81 -0.90 -2.71 117.12 117.26 1a91 n MET 65 Ca 0.21 0.22 -0.10 0.00 -1.81 0.00 0.00 57.70 56.21 1a91 n MET 65 Cb 0.24 -1.64 -0.13 0.00 -0.71 0.00 0.00 33.22 30.98 1a91 n MET 65 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1a91 h ILE 66 N 0.04 1.51 0.00 2.02 5.03 -1.44 -0.41 117.51 124.26 1a91 h ILE 66 Ca -0.48 -3.19 -0.11 0.00 -0.12 0.00 0.00 64.86 60.95 1a91 h ILE 66 Cb 1.99 2.81 -0.02 0.00 -3.03 0.00 0.00 36.82 38.58 1a91 h ILE 66 CO 0.02 0.89 -0.55 0.00 -0.68 0.00 0.00 178.15 177.83 1a91 h ALA 67 N 0.85 0.79 0.00 1.87 0.00 -1.57 0.17 119.26 121.36 1a91 h ALA 67 Ca -0.10 -0.50 -0.16 0.00 0.00 0.00 0.00 54.91 54.16 1a91 h ALA 67 Cb 1.87 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 1a91 h ALA 67 CO 0.14 0.68 -1.02 0.28 0.00 0.00 0.00 179.25 179.33 1a91 h VAL 68 N 0.00 0.83 0.00 0.00 2.07 -1.58 -2.79 116.25 114.78 1a91 h VAL 68 Ca -0.01 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.20 1a91 h VAL 68 Cb 1.21 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 33.30 1a91 h VAL 68 CO 0.07 0.47 0.00 1.23 0.02 0.00 0.00 177.57 179.36 1a91 h GLY 69 N 3.52 0.00 1.47 2.17 0.00 -0.54 -0.88 103.07 108.81 1a91 h GLY 69 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.95 1a91 h GLY 69 CO 0.07 0.00 -1.36 -2.00 0.00 0.00 0.00 176.54 173.24 1a91 h LEU 70 N 0.00 0.44 -0.63 3.11 6.46 -0.72 -1.93 115.31 122.04 1a91 h LEU 70 Ca 0.00 -0.52 -0.13 0.00 -0.12 0.00 0.00 57.88 57.12 1a91 h LEU 70 Cb 0.73 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.49 1a91 h LEU 70 CO 0.00 1.41 -0.61 1.23 -0.62 0.00 0.00 178.44 179.85 1a91 h GLY 71 N 1.53 0.00 2.00 3.75 0.00 -1.18 -1.26 103.07 107.91 1a91 h GLY 71 Ca -0.18 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.97 1a91 h GLY 71 CO 0.19 0.00 -0.87 1.41 0.00 0.00 0.00 176.54 177.28 1a91 h LEU 72 N 0.00 0.00 0.14 3.11 3.38 -1.22 -2.88 115.31 117.84 1a91 h LEU 72 Ca -0.01 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.68 1a91 h LEU 72 Cb 1.18 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.93 1a91 h LEU 72 CO 0.08 0.87 -1.28 0.22 0.09 0.00 0.00 178.44 178.42 1a91 h TYR 73 N 0.00 0.55 0.00 1.13 3.20 -1.08 -2.95 116.97 117.82 1a91 h TYR 73 Ca -0.01 -0.40 -0.13 0.00 3.14 0.00 0.00 58.73 61.33 1a91 h TYR 73 Cb 1.62 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.85 1a91 h TYR 73 CO 0.00 1.32 -0.62 0.28 -1.64 0.00 0.00 178.16 177.50 1a91 h VAL 74 N 0.08 1.11 0.00 1.81 2.07 -1.34 -2.13 116.25 117.86 1a91 h VAL 74 Ca -0.15 -2.41 -0.13 0.00 0.82 0.00 0.00 66.70 64.82 1a91 h VAL 74 Cb 2.00 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 34.19 1a91 h VAL 74 CO 0.21 0.60 -0.63 -0.03 0.02 0.00 0.00 177.57 177.75 1a91 h MET 75 N 0.00 0.00 0.00 1.57 1.85 -1.56 -2.29 114.93 114.50 1a91 h MET 75 Ca -0.01 0.00 -0.15 0.00 -0.61 0.00 0.00 59.70 58.94 1a91 h MET 75 Cb 1.39 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.40 1a91 h MET 75 CO 0.08 0.63 -0.69 0.35 -0.40 0.00 0.00 176.91 176.87 1a91 h PHE 76 N 0.00 0.00 0.00 1.39 3.57 -1.36 -2.11 116.94 118.42 1a91 h PHE 76 Ca -0.01 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 1a91 h PHE 76 Cb 1.20 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1a91 h PHE 76 CO 0.00 0.69 -0.35 0.00 -2.23 0.00 0.00 178.31 176.43 1a91 h ALA 77 N 1.31 0.82 -0.33 2.41 0.00 -0.91 -3.36 119.26 119.19 1a91 h ALA 77 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1a91 h ALA 77 Cb 1.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1a91 h ALA 77 CO 0.09 0.43 0.00 0.28 0.00 0.00 0.00 179.25 180.05 1a91 n VAL 78 N -3.25 0.00 1.94 0.00 0.31 -0.90 -5.08 118.33 111.34 1a91 n VAL 78 Ca 0.02 0.44 0.16 0.00 -0.01 0.00 0.00 64.34 64.95 1a91 n VAL 78 Cb 0.62 -1.40 0.89 0.00 -0.91 0.00 0.00 33.84 33.05 1a91 n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51