#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 0.15 0.03 4.11 -2.05 -1.86 114.58 114.95 1a91 h GLU 2 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.10 1a91 h GLU 2 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1a91 h GLU 2 CO 0.00 0.33 -1.72 -0.97 0.07 0.00 0.00 179.01 176.72 1a91 h ASN 3 N 0.00 0.48 -0.39 3.06 -1.24 -2.03 -3.32 115.58 112.15 1a91 h ASN 3 Ca -0.00 -0.91 0.11 0.00 0.71 0.00 0.00 56.30 56.21 1a91 h ASN 3 Cb 0.71 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.59 1a91 h ASN 3 CO 0.04 1.76 0.28 0.25 -1.29 0.00 0.00 177.43 178.47 1a91 h LEU 4 N -0.05 0.00 -0.06 0.34 5.85 -1.97 -0.99 115.31 118.42 1a91 h LEU 4 Ca -0.36 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.30 1a91 h LEU 4 Cb 1.97 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.00 1a91 h LEU 4 CO 0.11 0.00 -0.22 -1.13 -0.34 0.00 0.00 178.44 176.86 1a91 h ASN 5 N 0.00 0.31 0.83 1.25 -0.73 -1.44 -0.49 115.58 115.30 1a91 h ASN 5 Ca 0.18 -0.62 -0.06 0.00 1.87 0.00 0.00 56.30 57.67 1a91 h ASN 5 Cb 0.74 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.23 1a91 h ASN 5 CO -0.00 0.87 -0.28 0.24 -0.37 0.00 0.00 177.43 177.89 1a91 h MET 6 N -0.25 0.00 -0.15 6.67 2.86 -1.60 -2.14 114.93 120.33 1a91 h MET 6 Ca -0.01 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.51 1a91 h MET 6 Cb 0.85 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1a91 h MET 6 CO 0.05 0.28 -0.39 0.22 1.06 0.00 0.00 176.91 178.13 1a91 h ASP 7 N 0.00 0.60 -0.03 1.22 3.58 -1.06 -3.16 116.42 117.57 1a91 h ASP 7 Ca -0.00 -0.58 -0.03 0.00 0.42 0.00 0.00 57.03 56.84 1a91 h ASP 7 Cb 0.77 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1a91 h ASP 7 CO 0.04 1.07 -0.09 0.25 -2.88 0.00 0.00 179.24 177.63 1a91 h LEU 8 N 0.16 0.14 -0.53 2.28 5.85 -0.88 -2.56 115.31 119.75 1a91 h LEU 8 Ca -0.01 -0.60 -0.07 0.00 0.84 0.00 0.00 57.88 58.04 1a91 h LEU 8 Cb 1.00 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1a91 h LEU 8 CO 0.08 0.72 0.06 -0.07 -0.34 0.00 0.00 178.44 178.89 1a91 h LEU 9 N -0.43 0.87 0.06 2.25 3.38 -1.54 -1.10 115.31 118.81 1a91 h LEU 9 Ca -0.00 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1a91 h LEU 9 Cb 0.70 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1a91 h LEU 9 CO 0.02 0.93 -0.03 0.22 0.09 0.00 0.00 178.44 179.67 1a91 h TYR 10 N 0.79 -0.08 0.00 1.13 5.03 -1.64 -2.93 116.97 119.28 1a91 h TYR 10 Ca 0.16 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.47 1a91 h TYR 10 Cb 0.45 0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.75 1a91 h TYR 10 CO 0.03 0.38 0.00 0.52 -1.32 0.00 0.00 178.16 177.77 1a91 h MET 11 N -0.56 0.00 0.24 1.82 2.86 -1.48 -2.17 114.93 115.64 1a91 h MET 11 Ca -0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1a91 h MET 11 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1a91 h MET 11 CO 0.01 0.00 -0.12 0.00 1.06 0.00 0.00 176.91 177.87 1a91 h ALA 12 N 2.04 -0.32 0.00 6.32 0.00 -1.20 -2.56 119.26 123.53 1a91 h ALA 12 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1a91 h ALA 12 Cb 0.57 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1a91 h ALA 12 CO 0.00 -0.54 0.05 0.00 0.00 0.00 0.00 179.25 178.76 1a91 h ALA 13 N 0.07 1.03 0.00 0.00 0.00 -1.28 -0.36 119.26 118.72 1a91 h ALA 13 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 1a91 h ALA 13 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1a91 h ALA 13 CO 0.05 -0.03 -1.60 0.00 0.00 0.00 0.00 179.25 177.67 1a91 n ALA 14 N -1.78 1.88 0.06 0.00 0.00 -0.84 -1.69 120.51 118.13 1a91 n ALA 14 Ca -0.01 -0.66 -0.14 0.00 0.00 0.00 0.00 53.44 52.62 1a91 n ALA 14 Cb 0.08 -0.85 -0.14 0.00 0.00 0.00 0.00 19.45 18.55 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 1.26 0.07 0.00 2.07 -1.03 -2.81 116.25 115.81 1a91 h VAL 15 Ca -0.21 -2.92 -0.00 0.00 0.82 0.00 0.00 66.70 64.38 1a91 h VAL 15 Cb 1.68 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 34.22 1a91 h VAL 15 CO 0.05 0.82 -0.03 0.24 0.02 0.00 0.00 177.57 178.66 1a91 h MET 16 N 0.05 -0.09 0.00 1.57 2.86 -1.19 -3.10 114.93 115.04 1a91 h MET 16 Ca -0.20 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1a91 h MET 16 Cb 1.97 0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.65 1a91 h MET 16 CO 0.15 -0.06 -0.07 0.52 1.06 0.00 0.00 176.91 178.51 1a91 h MET 17 N -0.45 0.00 -0.49 1.72 2.86 -1.54 -2.56 114.93 114.47 1a91 h MET 17 Ca -0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1a91 h MET 17 Cb 0.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1a91 h MET 17 CO 0.02 0.00 0.13 0.78 1.06 0.00 0.00 176.91 178.90 1a91 h GLY 18 N 4.10 0.84 0.42 8.32 0.00 -1.59 -1.74 103.07 113.42 1a91 h GLY 18 Ca 0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 1a91 h GLY 18 CO 0.00 0.48 -0.20 -2.00 0.00 0.00 0.00 176.54 174.82 1a91 h LEU 19 N 0.67 -0.48 0.03 3.11 7.12 -1.41 -3.18 115.31 121.18 1a91 h LEU 19 Ca 0.16 0.02 -0.00 0.00 0.13 0.00 0.00 57.88 58.18 1a91 h LEU 19 Cb 0.31 0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.56 1a91 h LEU 19 CO -0.00 -0.29 -0.02 0.00 -0.13 0.00 0.00 178.44 178.01 1a91 h ALA 20 N -1.63 -0.04 -0.19 1.25 0.00 -1.54 -2.96 119.26 114.15 1a91 h ALA 20 Ca -0.06 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.58 1a91 h ALA 20 Cb 0.43 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1a91 h ALA 20 CO 0.09 -0.08 0.23 0.00 0.00 0.00 0.00 179.25 179.50 1a91 h ALA 21 N -0.19 1.78 0.20 0.00 0.00 -1.52 -0.16 119.26 119.36 1a91 h ALA 21 Ca -0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 1a91 h ALA 21 Cb 0.68 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.51 1a91 h ALA 21 CO 0.01 -0.33 -1.46 -0.84 0.00 0.00 0.00 179.25 176.62 1a91 h ILE 22 N 0.00 1.28 -0.80 0.00 -0.00 -1.61 -2.34 117.51 114.05 1a91 h ILE 22 Ca 0.09 -2.78 -0.01 0.00 -0.00 0.00 0.00 64.86 62.16 1a91 h ILE 22 Cb 0.56 2.96 -0.04 0.00 -0.00 0.00 0.00 36.82 40.30 1a91 h ILE 22 CO -0.00 0.84 0.45 1.23 -0.00 0.00 0.00 178.15 180.67 1a91 h GLY 23 N 0.73 1.17 0.00 0.16 0.00 -0.99 -1.07 103.07 103.07 1a91 h GLY 23 Ca -0.24 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.59 1a91 h GLY 23 CO 0.24 0.49 0.00 0.00 0.00 0.00 0.00 176.54 177.26 1a91 n ALA 24 N -2.42 -0.35 0.15 3.60 0.00 -0.22 -3.41 120.51 117.86 1a91 n ALA 24 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.57 1a91 n ALA 24 Cb 0.09 0.14 0.47 0.00 0.00 0.00 0.00 19.45 20.14 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 -1.73 1.68 -0.08 0.00 0.00 -0.70 -0.80 119.26 117.61 1a91 h ALA 25 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1a91 h ALA 25 Cb 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1a91 h ALA 25 CO 0.00 0.24 -0.15 0.82 0.00 0.00 0.00 179.25 180.17 1a91 h ILE 26 N 0.20 1.40 0.12 0.00 1.08 -1.40 -2.35 117.51 116.55 1a91 h ILE 26 Ca 0.05 -1.42 -0.28 0.00 -0.39 0.00 0.00 64.86 62.82 1a91 h ILE 26 Cb 0.21 2.13 0.02 0.00 -3.07 0.00 0.00 36.82 36.11 1a91 h ILE 26 CO 0.01 0.40 -1.22 1.23 -0.69 0.00 0.00 178.15 177.88 1a91 h GLY 27 N -0.21 0.54 2.00 5.37 0.00 -1.20 0.11 103.07 109.69 1a91 h GLY 27 Ca 0.01 -1.18 0.00 0.00 0.00 0.00 0.00 47.33 46.15 1a91 h GLY 27 CO 0.03 1.04 0.00 0.29 0.00 0.00 0.00 176.54 177.90 1a91 n ILE 28 N -3.71 0.39 -0.03 2.60 -5.35 -0.72 -0.02 119.36 112.51 1a91 n ILE 28 Ca -0.11 0.10 -0.13 0.00 -0.27 0.00 0.00 62.75 62.34 1a91 n ILE 28 Cb 0.98 -0.69 -0.11 0.00 -1.74 0.00 0.00 39.64 38.08 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 4.03 -0.03 0.00 3.28 0.00 -1.07 -2.82 103.07 106.45 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 -4.75 0.00 -0.23 2.60 5.41 0.37 -2.03 119.36 120.73 1a91 n ILE 30 Ca -0.09 1.16 -0.08 0.00 1.00 0.00 0.00 62.75 64.74 1a91 n ILE 30 Cb 0.35 -2.12 0.04 0.00 -0.71 0.00 0.00 39.64 37.20 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 1.06 0.00 1.39 6.46 -0.68 -0.56 115.31 122.99 1a91 h LEU 31 Ca 0.00 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 1a91 h LEU 31 Cb 0.00 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.65 1a91 h LEU 31 CO 0.00 1.07 -0.18 1.23 -0.62 0.00 0.00 178.44 179.94 1a91 h GLY 32 N 1.03 0.00 1.57 3.75 0.00 -1.53 -1.93 103.07 105.97 1a91 h GLY 32 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.26 1a91 h GLY 32 CO 0.02 0.00 -1.29 -1.33 0.00 0.00 0.00 176.54 173.94 1a91 h GLY 33 N 4.09 0.20 1.52 4.60 0.00 -1.12 -3.09 103.07 109.27 1a91 h GLY 33 Ca 0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 47.33 46.67 1a91 h GLY 33 CO 0.00 0.44 -0.57 1.70 0.00 0.00 0.00 176.54 178.10 1a91 h LYS 34 N 0.05 0.50 -0.72 4.80 3.64 -1.08 -2.86 116.57 120.91 1a91 h LYS 34 Ca -0.14 -0.33 -0.06 0.00 -1.27 0.00 0.00 60.65 58.85 1a91 h LYS 34 Cb 1.93 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.76 1a91 h LYS 34 CO 0.16 0.94 0.20 0.74 -2.27 0.00 0.00 179.45 179.22 1a91 h PHE 35 N 0.38 1.17 0.00 1.91 -1.00 -1.42 -2.57 116.94 115.41 1a91 h PHE 35 Ca 0.00 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.66 1a91 h PHE 35 Cb 1.11 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 40.34 1a91 h PHE 35 CO 0.04 0.93 0.00 1.25 -1.61 0.00 0.00 178.31 178.93 1a91 h LEU 36 N 1.08 0.00 -0.97 1.54 6.46 -1.44 -2.79 115.31 119.18 1a91 h LEU 36 Ca 0.23 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.91 1a91 h LEU 36 Cb 0.33 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 1a91 h LEU 36 CO -0.00 0.00 -0.38 -0.33 -0.62 0.00 0.00 178.44 177.11 1a91 h GLU 37 N 0.00 0.00 0.00 1.25 5.08 -1.23 -1.94 114.58 117.75 1a91 h GLU 37 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1a91 h GLU 37 Cb 0.67 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1a91 h GLU 37 CO 0.00 0.38 -0.93 0.78 -1.00 0.00 0.00 179.01 178.24 1a91 h GLY 38 N 1.97 0.00 1.92 -3.84 0.00 -1.48 -3.36 103.07 98.27 1a91 h GLY 38 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 1a91 h GLY 38 CO 0.05 0.00 -0.88 0.00 0.00 0.00 0.00 176.54 175.71 1a91 h ALA 39 N 1.11 0.54 0.04 3.60 0.00 -1.17 -3.40 119.26 119.98 1a91 h ALA 39 Ca -0.02 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.12 1a91 h ALA 39 Cb 1.70 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1a91 h ALA 39 CO 0.11 1.02 -0.02 0.00 0.00 0.00 0.00 179.25 180.37 1a91 h ALA 40 N 1.07 -0.05 -0.15 0.00 0.00 -1.52 -3.34 119.26 115.26 1a91 h ALA 40 Ca -0.02 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.40 1a91 h ALA 40 Cb 1.54 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1a91 h ALA 40 CO 0.12 -0.23 -0.73 0.07 0.00 0.00 0.00 179.25 178.48 1a91 h ARG 41 N -0.64 0.69 -7.40 0.00 -0.00 -1.80 -3.44 114.38 101.80 1a91 h ARG 41 Ca -0.01 -0.54 -0.46 0.00 -0.00 0.00 0.00 59.98 58.98 1a91 h ARG 41 Cb 0.58 0.10 0.10 0.00 -0.00 0.00 0.00 29.97 30.75 1a91 h ARG 41 CO 0.01 1.16 0.26 1.14 -0.00 0.00 0.00 179.97 182.54 1a91 s GLN 42 N -3.78 1.85 0.71 0.08 -2.07 -1.25 -5.04 119.66 110.16 1a91 s GLN 42 Ca -0.09 -0.35 -0.12 0.00 -1.82 0.00 0.00 55.36 52.97 1a91 s GLN 42 Cb 0.09 -2.11 0.02 0.00 -1.09 0.00 0.00 33.01 29.92 1a91 s GLN 42 CO 0.88 -1.49 1.09 -1.25 -1.32 0.00 0.00 175.29 173.20 1a91 s PRO 43 N -5.37 2.60 -0.22 9.60 0.04 -1.26 -4.90 135.00 135.48 1a91 s PRO 43 Ca 0.63 1.22 -0.00 0.00 0.04 0.00 0.00 61.00 62.89 1a91 s PRO 43 Cb -0.09 -1.94 0.17 0.00 0.04 0.00 0.00 34.50 32.69 1a91 s PRO 43 CO 0.46 -1.38 1.89 -0.40 0.04 0.00 0.00 177.00 177.61 1a91 n ASP 44 N -2.99 5.66 0.00 6.66 5.75 -1.26 -4.35 116.55 126.03 1a91 n ASP 44 Ca 0.09 -2.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.03 1a91 n ASP 44 Cb 0.53 -0.99 0.00 0.00 -1.03 0.00 0.00 41.12 39.62 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 0.51 0.42 0.00 -2.12 -0.00 -1.26 -4.41 117.00 110.13 1a91 n LEU 45 Ca 0.22 0.10 -0.10 0.00 -0.00 0.00 0.00 56.01 56.24 1a91 n LEU 45 Cb 0.62 -0.30 -0.08 0.00 -0.00 0.00 0.00 43.42 43.67 1a91 n LEU 45 CO 0.27 -0.30 0.33 0.40 -0.00 0.00 0.00 177.39 178.10 1a91 h ILE 46 N 0.00 0.96 0.00 1.96 2.04 -1.99 -3.35 117.51 117.12 1a91 h ILE 46 Ca 0.00 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.45 1a91 h ILE 46 Cb 0.00 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1a91 h ILE 46 CO 0.00 0.28 0.00 -0.81 0.00 0.00 0.00 178.15 177.62 1a91 n PRO 47 N -4.82 0.46 0.06 2.37 -0.04 -1.26 -2.42 135.00 129.35 1a91 n PRO 47 Ca -0.07 0.01 -0.05 0.00 -0.04 0.00 0.00 63.50 63.35 1a91 n PRO 47 Cb 0.27 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.36 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 0.36 -0.21 1.53 6.46 -1.77 -2.26 115.31 119.41 1a91 h LEU 48 Ca 0.00 -0.19 -0.12 0.00 -0.12 0.00 0.00 57.88 57.45 1a91 h LEU 48 Cb 0.25 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.08 1a91 h LEU 48 CO 0.00 0.83 -0.34 0.25 -0.62 0.00 0.00 178.44 178.56 1a91 h LEU 49 N 0.25 0.67 -0.80 2.25 5.85 -1.64 -1.87 115.31 120.02 1a91 h LEU 49 Ca 0.01 -0.52 -0.12 0.00 0.84 0.00 0.00 57.88 58.09 1a91 h LEU 49 Cb 1.03 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1a91 h LEU 49 CO 0.09 1.06 -0.55 0.08 -0.34 0.00 0.00 178.44 178.78 1a91 h ARG 50 N 0.29 0.00 -0.37 1.25 -0.00 -1.64 -3.03 114.38 110.88 1a91 h ARG 50 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.98 1a91 h ARG 50 Cb 0.92 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.88 1a91 h ARG 50 CO 0.08 0.55 0.16 1.15 -0.00 0.00 0.00 179.97 181.90 1a91 h THR 51 N 0.00 1.18 0.51 0.08 2.02 -1.31 -3.04 112.91 112.35 1a91 h THR 51 Ca -0.01 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 1a91 h THR 51 Cb 1.04 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1a91 h THR 51 CO 0.07 0.20 -0.25 0.06 0.37 0.00 0.00 175.52 175.97 1a91 h GLN 52 N 0.45 -0.67 -1.27 6.66 3.07 -1.32 -2.67 115.11 119.36 1a91 h GLN 52 Ca 0.12 0.05 0.40 0.00 0.09 0.00 0.00 58.65 59.31 1a91 h GLN 52 Cb 0.16 0.15 -0.11 0.00 0.08 0.00 0.00 27.48 27.76 1a91 h GLN 52 CO -0.01 -0.45 0.83 0.35 0.09 0.00 0.00 178.83 179.64 1a91 h PHE 53 N -0.69 0.51 0.00 0.06 3.57 -1.55 -1.36 116.94 117.48 1a91 h PHE 53 Ca -0.07 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1a91 h PHE 53 Cb 0.54 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1a91 h PHE 53 CO -0.05 -0.13 -0.06 0.74 -2.23 0.00 0.00 178.31 176.58 1a91 h PHE 54 N 0.15 0.06 0.00 0.41 -1.00 -1.36 -1.81 116.94 113.38 1a91 h PHE 54 Ca 0.76 -0.03 -0.04 0.00 2.81 0.00 0.00 57.97 61.47 1a91 h PHE 54 Cb 2.36 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 41.91 1a91 h PHE 54 CO -0.00 0.88 -0.17 -0.84 -1.61 0.00 0.00 178.31 176.56 1a91 h ILE 55 N -0.78 0.58 -0.07 -0.55 3.07 -1.09 -2.80 117.51 115.87 1a91 h ILE 55 Ca -0.01 -0.81 -0.23 0.00 1.55 0.00 0.00 64.86 65.35 1a91 h ILE 55 Cb 0.90 1.54 0.02 0.00 -0.27 0.00 0.00 36.82 39.00 1a91 h ILE 55 CO 0.01 0.17 -0.87 0.58 -1.05 0.00 0.00 178.15 176.99 1a91 h VAL 56 N 0.00 1.29 -0.94 0.16 2.07 -1.42 -1.91 116.25 115.51 1a91 h VAL 56 Ca -0.00 -2.10 0.21 0.00 0.82 0.00 0.00 66.70 65.63 1a91 h VAL 56 Cb 0.52 2.23 -0.08 0.00 -1.52 0.00 0.00 31.29 32.44 1a91 h VAL 56 CO 0.02 0.65 0.61 -0.03 0.02 0.00 0.00 177.57 178.85 1a91 h MET 57 N 0.40 0.45 0.00 1.57 1.85 -1.06 -1.63 114.93 116.51 1a91 h MET 57 Ca -0.09 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.97 1a91 h MET 57 Cb 1.52 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 33.45 1a91 h MET 57 CO 0.18 0.30 -0.59 0.41 -0.40 0.00 0.00 176.91 176.80 1a91 n GLY 58 N -1.48 -1.29 0.17 1.39 0.00 -1.07 -3.35 105.19 99.56 1a91 n GLY 58 Ca 0.21 -0.33 0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.00 -0.31 0.99 3.38 -0.50 -3.14 115.31 115.74 1a91 h LEU 59 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1a91 h LEU 59 Cb 0.59 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1a91 h LEU 59 CO 0.00 0.24 -0.85 0.58 0.09 0.00 0.00 178.44 178.51 1a91 h VAL 60 N 0.00 1.59 -0.32 1.22 2.07 -1.47 -2.37 116.25 116.97 1a91 h VAL 60 Ca -0.01 -2.86 -0.15 0.00 0.82 0.00 0.00 66.70 64.51 1a91 h VAL 60 Cb 1.20 2.55 -0.00 0.00 -1.52 0.00 0.00 31.29 33.51 1a91 h VAL 60 CO 0.03 0.82 -0.37 -0.78 0.02 0.00 0.00 177.57 177.29 1a91 h ASP 61 N 0.01 0.88 1.28 0.57 1.82 -1.55 -3.16 116.42 116.28 1a91 h ASP 61 Ca -0.01 -0.48 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 1a91 h ASP 61 Cb 1.49 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 41.26 1a91 h ASP 61 CO 0.11 1.18 -0.58 0.00 -1.61 0.00 0.00 179.24 178.35 1a91 h ALA 62 N 0.72 0.69 -0.57 -0.78 0.00 -1.61 -3.40 119.26 114.30 1a91 h ALA 62 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1a91 h ALA 62 Cb 0.96 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.64 1a91 h ALA 62 CO 0.09 0.00 -0.08 0.82 0.00 0.00 0.00 179.25 180.08 1a91 h ILE 63 N 0.00 0.47 0.00 0.00 1.08 -1.38 -0.55 117.51 117.13 1a91 h ILE 63 Ca 0.00 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 1a91 h ILE 63 Cb 0.93 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 35.10 1a91 h ILE 63 CO 0.00 0.01 -0.15 -0.81 -0.69 0.00 0.00 178.15 176.51 1a91 n PRO 64 N -5.34 0.08 -0.02 2.37 -0.04 -1.26 -1.91 135.00 128.88 1a91 n PRO 64 Ca 0.07 0.05 -0.15 0.00 -0.04 0.00 0.00 63.50 63.44 1a91 n PRO 64 Cb 0.31 -1.58 -0.14 0.00 -0.04 0.00 0.00 33.50 32.05 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 -1.72 0.69 0.12 0.54 2.81 -1.05 -2.96 117.12 115.55 1a91 n MET 65 Ca 0.06 0.26 0.05 0.00 -1.81 0.00 0.00 57.70 56.26 1a91 n MET 65 Cb 0.37 -1.73 0.02 0.00 -0.71 0.00 0.00 33.22 31.16 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 0.03 0.46 0.03 2.02 -0.00 -0.87 0.11 117.51 119.29 1a91 h ILE 66 Ca -0.37 -1.73 -0.26 0.00 -0.00 0.00 0.00 64.86 62.50 1a91 h ILE 66 Cb 2.03 2.08 -0.03 0.00 -0.00 0.00 0.00 36.82 40.90 1a91 h ILE 66 CO 0.07 0.26 -1.36 0.00 -0.00 0.00 0.00 178.15 177.13 1a91 h ALA 67 N 1.65 0.45 0.00 0.18 0.00 -1.55 -1.07 119.26 118.93 1a91 h ALA 67 Ca -0.05 -1.13 -0.14 0.00 0.00 0.00 0.00 54.91 53.59 1a91 h ALA 67 Cb 1.30 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 1a91 h ALA 67 CO 0.04 1.32 -0.75 -0.24 0.00 0.00 0.00 179.25 179.62 1a91 h VAL 68 N 0.02 1.02 0.00 0.00 3.04 -1.57 -2.91 116.25 115.85 1a91 h VAL 68 Ca -0.16 -2.49 0.00 0.00 -1.01 0.00 0.00 66.70 63.05 1a91 h VAL 68 Cb 1.91 2.48 0.00 0.00 -2.01 0.00 0.00 31.29 33.67 1a91 h VAL 68 CO 0.12 0.58 0.00 1.23 -1.01 0.00 0.00 177.57 178.50 1a91 h GLY 69 N 3.41 0.00 1.65 3.17 0.00 -0.80 -1.76 103.07 108.73 1a91 h GLY 69 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.04 1a91 h GLY 69 CO 0.08 0.00 -1.24 -2.00 0.00 0.00 0.00 176.54 173.38 1a91 h LEU 70 N 0.00 0.21 -0.02 3.11 6.46 -1.07 -1.82 115.31 122.18 1a91 h LEU 70 Ca 0.00 -0.25 -0.09 0.00 -0.12 0.00 0.00 57.88 57.43 1a91 h LEU 70 Cb 0.74 -0.07 0.01 0.00 -0.73 0.00 0.00 40.66 40.61 1a91 h LEU 70 CO 0.00 1.20 -0.33 1.23 -0.62 0.00 0.00 178.44 179.92 1a91 h GLY 71 N 2.35 0.28 1.09 3.75 0.00 -1.31 -2.79 103.07 106.44 1a91 h GLY 71 Ca -0.12 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.69 1a91 h GLY 71 CO 0.16 0.40 0.16 1.41 0.00 0.00 0.00 176.54 178.66 1a91 h LEU 72 N -0.35 1.06 -0.01 3.11 4.07 -1.44 -3.05 115.31 118.69 1a91 h LEU 72 Ca -0.04 -0.23 -0.19 0.00 0.08 0.00 0.00 57.88 57.51 1a91 h LEU 72 Cb 1.05 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 42.48 1a91 h LEU 72 CO 0.06 1.02 -0.88 0.22 -1.08 0.00 0.00 178.44 177.78 1a91 h TYR 73 N 1.06 0.00 -0.05 1.13 3.20 -1.39 -2.34 116.97 118.58 1a91 h TYR 73 Ca 0.22 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.94 1a91 h TYR 73 Cb 0.38 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1a91 h TYR 73 CO 0.03 0.88 -0.61 0.28 -1.64 0.00 0.00 178.16 177.10 1a91 h VAL 74 N 0.00 1.40 0.00 1.81 2.07 -1.54 -1.61 116.25 118.38 1a91 h VAL 74 Ca -0.01 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.50 1a91 h VAL 74 Cb 1.67 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 33.48 1a91 h VAL 74 CO 0.11 0.59 0.00 0.24 0.02 0.00 0.00 177.57 178.54 1a91 h MET 75 N 0.14 0.00 0.06 1.57 2.86 -1.44 -2.12 114.93 116.00 1a91 h MET 75 Ca -0.01 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.37 1a91 h MET 75 Cb 1.11 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.78 1a91 h MET 75 CO 0.09 0.00 -1.11 0.35 1.06 0.00 0.00 176.91 177.30 1a91 h PHE 76 N 0.00 0.81 0.00 -0.22 3.57 -1.23 -3.35 116.94 116.52 1a91 h PHE 76 Ca 0.00 -0.49 0.00 0.00 3.53 0.00 0.00 57.97 61.01 1a91 h PHE 76 Cb 0.89 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1a91 h PHE 76 CO 0.00 1.33 -0.06 0.00 -2.23 0.00 0.00 178.31 177.35 1a91 h ALA 77 N 0.50 0.97 0.00 2.41 0.00 -0.94 -3.36 119.26 118.84 1a91 h ALA 77 Ca -0.13 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1a91 h ALA 77 Cb 1.77 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 1a91 h ALA 77 CO 0.20 0.00 -0.33 -0.24 0.00 0.00 0.00 179.25 178.89 1a91 h VAL 78 N 0.00 0.98 -0.01 0.00 3.04 -1.53 -3.51 116.25 115.23 1a91 h VAL 78 Ca 0.00 -1.84 0.00 0.00 -1.01 0.00 0.00 66.70 63.85 1a91 h VAL 78 Cb 0.95 1.96 0.00 0.00 -2.01 0.00 0.00 31.29 32.19 1a91 h VAL 78 CO 0.00 0.33 0.00 0.00 -1.01 0.00 0.00 177.57 176.89