#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uuj s LEU 3 N 0.00 4.23 1.04 7.52 1.43 -1.26 -5.00 118.68 126.64 1uuj s LEU 3 Ca 0.00 1.88 -0.12 0.00 -1.03 0.00 0.00 54.13 54.87 1uuj s LEU 3 Cb 0.00 -3.54 0.22 0.00 0.03 0.00 0.00 46.19 42.90 1uuj s LEU 3 CO 0.00 -0.80 1.08 -0.94 0.23 0.00 0.00 176.35 175.92 1uuj s SER 4 N 2.37 1.92 0.20 2.29 1.04 -1.26 -4.70 113.70 115.57 1uuj s SER 4 Ca 0.61 1.80 -0.09 0.00 0.48 0.00 0.00 55.95 58.74 1uuj s SER 4 Cb -0.26 -2.41 0.14 0.00 0.10 0.00 0.00 66.02 63.59 1uuj s SER 4 CO 0.20 -3.66 1.80 -0.61 0.98 0.00 0.00 173.24 171.94 1uuj h GLN 5 N -2.25 1.07 -0.08 4.02 5.75 -1.99 -0.19 115.11 121.44 1uuj h GLN 5 Ca -0.53 -0.15 0.03 0.00 -0.15 0.00 0.00 58.65 57.84 1uuj h GLN 5 Cb 1.30 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.63 1uuj h GLN 5 CO 0.47 0.83 -0.08 -0.09 -2.65 0.00 0.00 178.83 177.30 1uuj h ARG 6 N 1.04 -0.11 -0.23 1.69 2.43 -1.99 -1.16 114.38 116.07 1uuj h ARG 6 Ca 0.26 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.30 1uuj h ARG 6 Cb 0.11 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1uuj h ARG 6 CO -0.03 -0.07 -0.43 1.96 -1.51 0.00 0.00 179.97 179.88 1uuj h GLN 7 N -0.11 0.56 -0.67 0.20 4.20 -1.86 -1.38 115.11 116.05 1uuj h GLN 7 Ca 0.06 -0.30 -0.06 0.00 0.06 0.00 0.00 58.65 58.41 1uuj h GLN 7 Cb 0.20 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 1uuj h GLN 7 CO -0.14 0.88 0.18 -0.09 -0.67 0.00 0.00 178.83 178.99 1uuj h ARG 8 N 0.45 1.06 -0.41 1.46 9.65 -0.93 -1.11 114.38 124.55 1uuj h ARG 8 Ca 0.03 -0.24 -0.07 0.00 -1.10 0.00 0.00 59.98 58.60 1uuj h ARG 8 Cb 0.94 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.36 1uuj h ARG 8 CO 0.08 0.94 -0.02 -0.44 2.80 0.00 0.00 179.97 183.33 1uuj h ASP 9 N 0.99 0.65 -0.35 -3.80 3.32 -0.80 0.67 116.42 117.09 1uuj h ASP 9 Ca 0.21 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 1uuj h ASP 9 Cb 0.34 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1uuj h ASP 9 CO -0.00 0.73 -0.10 -0.33 -1.72 0.00 0.00 179.24 177.82 1uuj h GLU 10 N 0.63 0.69 -0.31 3.56 5.08 -0.95 -0.46 114.58 122.82 1uuj h GLU 10 Ca 0.13 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1uuj h GLU 10 Cb 0.43 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1uuj h GLU 10 CO 0.02 0.86 0.12 1.25 -1.00 0.00 0.00 179.01 180.26 1uuj h LEU 11 N 0.47 0.43 -0.99 1.33 5.85 -0.93 -0.88 115.31 120.59 1uuj h LEU 11 Ca 0.09 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1uuj h LEU 11 Cb 0.61 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 1uuj h LEU 11 CO 0.04 0.48 0.65 0.78 -0.34 0.00 0.00 178.44 180.05 1uuj h ASN 12 N 0.35 1.12 -0.56 1.25 2.35 -0.61 -0.41 115.58 119.07 1uuj h ASN 12 Ca 0.10 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 1uuj h ASN 12 Cb 0.18 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 1uuj h ASN 12 CO -0.01 0.81 0.23 0.03 -1.65 0.00 0.00 177.43 176.83 1uuj h ARG 13 N 1.32 0.87 -0.71 0.81 3.08 -0.95 0.10 114.38 118.91 1uuj h ARG 13 Ca 0.37 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 60.21 1uuj h ARG 13 Cb -0.13 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.74 1uuj h ARG 13 CO -0.09 0.72 0.18 0.00 -1.07 0.00 0.00 179.97 179.71 1uuj h ALA 14 N 1.39 0.93 -0.21 0.04 0.00 -0.45 -0.99 119.26 119.97 1uuj h ALA 14 Ca 0.20 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1uuj h ALA 14 Cb 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1uuj h ALA 14 CO -0.02 0.65 -0.08 0.82 0.00 0.00 0.00 179.25 180.63 1uuj h ILE 15 N 1.06 1.30 -0.30 0.00 2.04 -0.63 -1.73 117.51 119.24 1uuj h ILE 15 Ca 0.22 -1.10 0.05 0.00 1.00 0.00 0.00 64.86 65.03 1uuj h ILE 15 Cb 0.36 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 1uuj h ILE 15 CO 0.00 0.34 0.02 0.00 0.00 0.00 0.00 178.15 178.51 1uuj h ALA 16 N 0.72 0.28 -0.44 1.87 0.00 -0.57 -1.51 119.26 119.61 1uuj h ALA 16 Ca 0.05 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1uuj h ALA 16 Cb 0.55 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1uuj h ALA 16 CO 0.03 -0.39 0.09 0.22 0.00 0.00 0.00 179.25 179.20 1uuj h ASP 17 N 0.11 0.61 -0.43 0.00 3.58 -1.14 -1.03 116.42 118.13 1uuj h ASP 17 Ca 0.14 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 1uuj h ASP 17 Cb 0.18 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 1uuj h ASP 17 CO -0.22 0.62 0.26 0.22 -2.88 0.00 0.00 179.24 177.24 1uuj h TYR 18 N 0.64 0.56 -0.13 0.28 3.20 -0.64 -0.17 116.97 120.71 1uuj h TYR 18 Ca 0.14 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1uuj h TYR 18 Cb 0.26 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1uuj h TYR 18 CO 0.01 0.39 0.05 -0.07 -1.64 0.00 0.00 178.16 176.90 1uuj h LEU 19 N 0.57 0.19 0.05 2.82 3.38 -0.73 -1.72 115.31 119.88 1uuj h LEU 19 Ca 0.15 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1uuj h LEU 19 Cb -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1uuj h LEU 19 CO -0.03 0.33 -0.02 -0.09 0.09 0.00 0.00 178.44 178.72 1uuj h ARG 20 N 0.04 -0.06 0.00 1.13 2.43 -1.07 -0.08 114.38 116.77 1uuj h ARG 20 Ca 0.04 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1uuj h ARG 20 Cb 0.20 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1uuj h ARG 20 CO -0.00 0.06 -0.17 0.66 -1.51 0.00 0.00 179.97 179.00 1uuj h SER 21 N -0.17 0.00 -0.46 -3.80 4.64 -0.98 -3.01 113.55 109.76 1uuj h SER 21 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1uuj h SER 21 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1uuj h SER 21 CO 0.01 0.17 0.00 0.59 -0.87 0.00 0.00 176.83 176.73 1uuj n ASN 22 N -3.37 3.34 0.00 4.97 3.02 -0.65 -4.97 115.26 117.59 1uuj n ASN 22 Ca -0.00 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 1uuj n ASN 22 Cb 0.38 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1uuj n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uuj n GLY 23 N 1.16 0.75 2.83 7.41 0.00 -1.13 -4.97 105.19 111.24 1uuj n GLY 23 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1uuj n GLY 23 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1uuj n TYR 24 N -2.31 2.91 0.09 1.61 4.01 -0.06 -4.75 117.16 118.65 1uuj n TYR 24 Ca 0.00 -2.79 -0.13 0.00 -0.16 0.00 0.00 57.90 54.82 1uuj n TYR 24 Cb 0.00 -1.96 -0.08 0.00 -0.31 0.00 0.00 39.34 37.00 1uuj n TYR 24 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1uuj h GLU 25 N 5.66 0.29 -0.45 -0.72 4.39 -1.88 -2.05 114.58 119.81 1uuj h GLU 25 Ca 0.42 -0.38 -0.09 0.00 0.34 0.00 0.00 59.36 59.65 1uuj h GLU 25 Cb 0.60 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1uuj h GLU 25 CO 1.63 1.11 -0.08 1.49 -1.16 0.00 0.00 179.01 182.00 1uuj h GLU 26 N 0.13 0.85 -0.75 2.33 4.57 -1.95 -1.17 114.58 118.60 1uuj h GLU 26 Ca -0.09 -0.32 0.01 0.00 -1.18 0.00 0.00 59.36 57.78 1uuj h GLU 26 Cb 1.72 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 30.22 1uuj h GLU 26 CO 0.17 0.95 0.49 0.00 -1.18 0.00 0.00 179.01 179.44 1uuj h ALA 27 N 0.88 1.46 0.17 2.92 0.00 -1.91 -1.12 119.26 121.65 1uuj h ALA 27 Ca 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1uuj h ALA 27 Cb 0.62 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1uuj h ALA 27 CO 0.04 0.50 -0.08 -0.92 0.00 0.00 0.00 179.25 178.79 1uuj h TYR 28 N 1.01 -0.22 -0.85 0.00 3.20 -1.13 0.67 116.97 119.66 1uuj h TYR 28 Ca 0.27 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 1uuj h TYR 28 Cb -0.11 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.19 1uuj h TYR 28 CO 0.00 -0.06 0.53 0.77 -1.64 0.00 0.00 178.16 177.76 1uuj h SER 29 N -0.32 1.01 -0.26 -2.11 0.02 -0.90 -1.58 113.55 109.40 1uuj h SER 29 Ca -0.02 -0.05 -0.17 0.00 -0.84 0.00 0.00 61.79 60.70 1uuj h SER 29 Cb 0.25 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1uuj h SER 29 CO 0.04 0.76 -0.49 0.58 -1.14 0.00 0.00 176.83 176.58 1uuj h VAL 30 N 1.16 1.29 -0.47 2.27 2.07 -1.07 -2.99 116.25 118.52 1uuj h VAL 30 Ca 0.31 -1.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.09 1uuj h VAL 30 Cb -0.07 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1uuj h VAL 30 CO -0.06 0.54 0.07 0.15 0.02 0.00 0.00 177.57 178.29 1uuj h PHE 31 N 0.55 0.83 -0.92 1.57 3.57 -0.56 -1.21 116.94 120.77 1uuj h PHE 31 Ca 0.01 -0.12 0.08 0.00 3.53 0.00 0.00 57.97 61.48 1uuj h PHE 31 Cb 1.10 -0.23 -0.07 0.00 2.79 0.00 0.00 35.95 39.54 1uuj h PHE 31 CO 0.08 0.77 0.57 0.87 -2.23 0.00 0.00 178.31 178.37 1uuj h LYS 32 N 0.64 0.96 -0.10 1.11 1.57 -1.29 0.15 116.57 119.61 1uuj h LYS 32 Ca 0.14 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1uuj h LYS 32 Cb 0.40 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1uuj h LYS 32 CO 0.01 0.64 -0.02 0.87 -0.57 0.00 0.00 179.45 180.38 1uuj h LYS 33 N 0.99 0.20 -0.39 3.15 1.57 -1.33 -0.93 116.57 119.82 1uuj h LYS 33 Ca 0.42 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 59.02 1uuj h LYS 33 Cb 0.27 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1uuj h LYS 33 CO -0.21 0.49 -0.19 0.93 -0.57 0.00 0.00 179.45 179.90 1uuj h GLU 34 N -0.12 0.76 -0.01 3.15 5.08 -0.89 -2.85 114.58 119.70 1uuj h GLU 34 Ca 0.03 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1uuj h GLU 34 Cb 0.42 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1uuj h GLU 34 CO 0.01 0.90 -0.24 0.00 -1.00 0.00 0.00 179.01 178.67 1uuj n ALA 35 N -2.50 3.06 -3.82 3.43 0.00 0.49 -4.95 120.51 116.22 1uuj n ALA 35 Ca 0.00 -0.46 -0.34 0.00 0.00 0.00 0.00 53.44 52.64 1uuj n ALA 35 Cb 0.41 -1.08 0.03 0.00 0.00 0.00 0.00 19.45 18.82 1uuj n ALA 35 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1uuj n GLU 36 N -0.36 -1.25 -3.82 0.00 1.02 -0.75 -4.96 120.64 110.52 1uuj n GLU 36 Ca 0.13 0.35 -0.36 0.00 -0.02 0.00 0.00 57.16 57.26 1uuj n GLU 36 Cb 0.38 -3.78 -0.13 0.00 -0.02 0.00 0.00 31.44 27.89 1uuj n GLU 36 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1uuj s LEU 37 N -6.80 3.37 0.00 -4.62 2.96 -0.43 -5.05 118.68 108.12 1uuj s LEU 37 Ca 0.41 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 1uuj s LEU 37 Cb -0.17 -1.83 0.02 0.00 0.50 0.00 0.00 46.19 44.71 1uuj s LEU 37 CO 0.89 -0.08 0.15 0.47 -1.32 0.00 0.00 176.35 176.46 1uuj n ASP 38 N 4.85 0.22 0.00 3.68 8.00 -1.26 -4.77 116.55 127.27 1uuj n ASP 38 Ca -0.16 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.15 1uuj n ASP 38 Cb 0.50 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 1uuj n ASP 38 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1uuj n ASN 40 N -2.98 0.00 -4.85 -2.24 3.02 -1.26 -5.09 115.26 101.86 1uuj n ASN 40 Ca 0.03 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.23 1uuj n ASN 40 Cb 0.09 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.20 1uuj n ASN 40 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1uuj s GLU 41 N 0.00 3.99 0.24 3.52 2.02 -1.26 -4.98 118.70 122.23 1uuj s GLU 41 Ca 0.00 0.54 -0.06 0.00 0.02 0.00 0.00 54.97 55.47 1uuj s GLU 41 Cb 0.00 -2.76 0.24 0.00 0.10 0.00 0.00 34.13 31.71 1uuj s GLU 41 CO 0.00 0.36 1.87 0.93 0.02 0.00 0.00 175.26 178.45 1uuj h GLU 42 N 3.04 1.25 -0.98 1.61 4.39 -2.04 -1.52 114.58 120.34 1uuj h GLU 42 Ca -0.48 -0.13 0.31 0.00 0.34 0.00 0.00 59.36 59.40 1uuj h GLU 42 Cb 1.18 -0.25 -0.15 0.00 -0.10 0.00 0.00 28.75 29.43 1uuj h GLU 42 CO 0.66 0.90 0.49 1.25 -1.16 0.00 0.00 179.01 181.16 1uuj h LEU 43 N 1.26 0.39 -1.65 1.33 5.85 -2.04 -1.87 115.31 118.59 1uuj h LEU 43 Ca 0.32 0.20 0.00 0.00 0.84 0.00 0.00 57.88 59.24 1uuj h LEU 43 Cb -0.00 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1uuj h LEU 43 CO -0.05 -0.16 0.15 0.44 -0.34 0.00 0.00 178.44 178.48 1uuj h ASP 44 N 0.28 0.00 0.73 1.25 3.32 -1.66 -1.68 116.42 118.67 1uuj h ASP 44 Ca 0.71 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.72 1uuj h ASP 44 Cb 1.60 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.14 1uuj h ASP 44 CO -0.63 0.00 -0.15 0.11 -1.72 0.00 0.00 179.24 176.85 1uuj h LYS 45 N 0.00 0.00 -0.47 3.56 1.57 -1.46 -2.69 116.57 117.08 1uuj h LYS 45 Ca 0.00 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 1uuj h LYS 45 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1uuj h LYS 45 CO 0.00 0.15 0.41 1.57 -0.57 0.00 0.00 179.45 181.01 1uuj h LYS 46 N 0.00 0.00 0.00 3.15 2.10 -1.50 -2.51 116.57 117.81 1uuj h LYS 46 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1uuj h LYS 46 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 1uuj h LYS 46 CO 0.02 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.13 1uuj n TYR 47 N -3.99 0.00 -1.64 0.07 4.01 -1.01 -4.62 117.16 109.98 1uuj n TYR 47 Ca 0.08 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.37 1uuj n TYR 47 Cb 0.61 -0.30 -0.04 0.00 -0.31 0.00 0.00 39.34 39.31 1uuj n TYR 47 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1uuj n ALA 48 N -1.30 1.29 -0.54 -0.72 0.00 -0.95 -2.00 120.51 116.29 1uuj n ALA 48 Ca 0.13 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1uuj n ALA 48 Cb 0.23 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 17.04 1uuj n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uuj n GLY 49 N 4.91 1.10 0.22 0.00 0.00 -1.26 -4.90 105.19 105.26 1uuj n GLY 49 Ca 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 1uuj n GLY 49 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1uuj h LEU 50 N 0.00 0.65 -0.30 0.99 5.85 -1.66 -1.88 115.31 118.96 1uuj h LEU 50 Ca 0.00 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1uuj h LEU 50 Cb 0.00 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1uuj h LEU 50 CO 0.00 0.69 0.15 0.25 -0.34 0.00 0.00 178.44 179.19 1uuj h LEU 51 N 0.58 0.39 -1.02 2.25 5.85 -1.80 -0.87 115.31 120.69 1uuj h LEU 51 Ca 0.14 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1uuj h LEU 51 Cb 0.27 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 1uuj h LEU 51 CO -0.00 0.39 0.59 -0.33 -0.34 0.00 0.00 178.44 178.75 1uuj h GLU 52 N 0.36 1.26 0.29 1.25 5.08 -1.91 -0.13 114.58 120.78 1uuj h GLU 52 Ca 0.11 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1uuj h GLU 52 Cb 0.10 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1uuj h GLU 52 CO -0.01 0.86 -0.14 -0.22 -1.00 0.00 0.00 179.01 178.49 1uuj h LYS 53 N 1.28 -0.37 -0.76 2.33 3.64 -0.95 -2.78 116.57 118.96 1uuj h LYS 53 Ca 0.34 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.69 1uuj h LYS 53 Cb -0.10 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1uuj h LYS 53 CO -0.07 -0.18 0.27 0.87 -2.27 0.00 0.00 179.45 178.08 1uuj h LYS 54 N -0.49 1.15 -0.92 1.90 1.57 -1.01 -2.58 116.57 116.20 1uuj h LYS 54 Ca -0.04 -0.22 0.22 0.00 -1.87 0.00 0.00 60.65 58.74 1uuj h LYS 54 Cb 0.37 -0.18 -0.07 0.00 0.08 0.00 0.00 32.23 32.43 1uuj h LYS 54 CO 0.06 0.95 0.62 2.35 -0.57 0.00 0.00 179.45 182.86 1uuj h TRP 55 N 1.12 0.47 -0.44 -1.35 2.91 -0.91 -2.51 115.95 115.25 1uuj h TRP 55 Ca 0.25 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.29 1uuj h TRP 55 Cb 0.25 -0.14 0.00 0.00 -0.51 0.00 0.00 29.16 28.76 1uuj h TRP 55 CO 0.02 0.11 0.00 0.25 -1.03 0.00 0.00 178.44 177.79 1uuj n THR 56 N -4.49 1.88 0.58 2.65 -2.24 -0.99 -4.65 114.28 107.02 1uuj n THR 56 Ca 0.20 -1.41 0.09 0.00 -2.27 0.00 0.00 64.05 60.66 1uuj n THR 56 Cb 0.76 0.05 -0.12 0.00 -2.10 0.00 0.00 70.33 68.92 1uuj n THR 56 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1uuj n SER 57 N 0.36 0.75 -0.05 3.42 7.64 -0.94 -4.71 113.62 120.09 1uuj n SER 57 Ca 0.21 -0.61 -0.11 0.00 1.01 0.00 0.00 58.87 59.37 1uuj n SER 57 Cb 0.81 1.32 -0.04 0.00 -1.01 0.00 0.00 64.21 65.29 1uuj n SER 57 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1uuj h VAL 58 N 0.00 1.13 -0.23 0.44 2.07 -1.83 -0.18 116.25 117.66 1uuj h VAL 58 Ca 0.00 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 1uuj h VAL 58 Cb 0.61 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1uuj h VAL 58 CO 0.00 0.12 0.03 0.40 0.02 0.00 0.00 177.57 178.14 1uuj h ILE 59 N 0.18 1.24 -0.80 4.57 5.03 -1.97 -0.58 117.51 125.17 1uuj h ILE 59 Ca 0.06 -0.79 0.12 0.00 -0.12 0.00 0.00 64.86 64.13 1uuj h ILE 59 Cb 0.11 1.32 -0.08 0.00 -3.03 0.00 0.00 36.82 35.14 1uuj h ILE 59 CO -0.01 0.25 0.42 -0.09 -0.68 0.00 0.00 178.15 178.04 1uuj h ARG 60 N 0.18 0.63 -0.22 2.37 2.43 -1.82 -0.18 114.38 117.78 1uuj h ARG 60 Ca 0.07 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.04 1uuj h ARG 60 Cb 0.35 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1uuj h ARG 60 CO 0.01 0.42 -0.53 -0.07 -1.51 0.00 0.00 179.97 178.28 1uuj h LEU 61 N 0.65 0.71 -0.36 3.80 3.38 -0.83 -1.15 115.31 121.51 1uuj h LEU 61 Ca 0.41 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1uuj h LEU 61 Cb 0.50 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1uuj h LEU 61 CO -0.31 1.10 0.20 1.56 0.09 0.00 0.00 178.44 181.08 1uuj h GLN 62 N 0.49 0.50 -0.78 1.13 4.20 -0.70 -0.61 115.11 119.33 1uuj h GLN 62 Ca 0.01 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.68 1uuj h GLN 62 Cb 1.09 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.73 1uuj h GLN 62 CO 0.11 0.41 0.51 0.87 -0.67 0.00 0.00 178.83 180.05 1uuj h LYS 63 N 0.45 0.99 -0.61 1.46 1.57 -0.85 -2.79 116.57 116.79 1uuj h LYS 63 Ca 0.13 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 1uuj h LYS 63 Cb 0.05 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1uuj h LYS 63 CO -0.02 0.66 0.03 -0.22 -0.57 0.00 0.00 179.45 179.33 1uuj h LYS 64 N 1.02 1.05 0.00 3.15 1.63 -0.92 -0.82 116.57 121.68 1uuj h LYS 64 Ca 0.30 -0.32 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1uuj h LYS 64 Cb -0.07 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.46 1uuj h LYS 64 CO -0.08 1.01 0.00 0.28 -3.45 0.00 0.00 179.45 177.21 1uuj n VAL 65 N -4.22 0.00 0.00 2.00 0.31 -0.26 -1.09 118.33 115.07 1uuj n VAL 65 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1uuj n VAL 65 Cb 0.33 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 1uuj n VAL 65 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1uuj n GLU 67 N 0.29 0.00 -0.05 5.55 2.13 -0.32 -1.19 120.64 127.06 1uuj n GLU 67 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 1uuj n GLU 67 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 1uuj n GLU 67 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1uuj h LEU 68 N 0.00 0.81 -1.02 4.31 3.38 -1.37 -1.11 115.31 120.30 1uuj h LEU 68 Ca 0.00 -0.57 0.21 0.00 0.09 0.00 0.00 57.88 57.60 1uuj h LEU 68 Cb 0.00 -0.24 -0.11 0.00 0.09 0.00 0.00 40.66 40.40 1uuj h LEU 68 CO 0.00 1.24 0.61 -0.33 0.09 0.00 0.00 178.44 180.05 1uuj h GLU 69 N 0.42 0.68 -0.12 1.13 5.08 -1.40 0.54 114.58 120.92 1uuj h GLU 69 Ca -0.01 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1uuj h GLU 69 Cb 1.14 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1uuj h GLU 69 CO 0.11 0.45 -0.05 1.03 -1.00 0.00 0.00 179.01 179.55 1uuj h SER 70 N 0.70 0.25 -0.95 1.42 0.87 -1.73 -1.50 113.55 112.61 1uuj h SER 70 Ca 0.60 -0.41 0.02 0.00 -1.23 0.00 0.00 61.79 60.77 1uuj h SER 70 Cb 1.01 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.85 1uuj h SER 70 CO -0.40 0.60 0.63 0.11 -0.53 0.00 0.00 176.83 177.23 1uuj h LYS 71 N -0.10 1.23 -0.26 2.24 1.57 -0.76 0.30 116.57 120.78 1uuj h LYS 71 Ca 0.03 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1uuj h LYS 71 Cb 0.50 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1uuj h LYS 71 CO 0.02 0.81 -0.12 1.25 -0.57 0.00 0.00 179.45 180.84 1uuj h LEU 72 N 1.26 0.57 -0.64 2.94 5.85 -0.86 0.10 115.31 124.53 1uuj h LEU 72 Ca 0.36 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1uuj h LEU 72 Cb -0.11 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 1uuj h LEU 72 CO -0.09 0.85 0.25 -1.13 -0.34 0.00 0.00 178.44 177.98 1uuj h ASN 73 N 0.29 0.89 -0.81 1.25 -0.73 -1.10 -1.18 115.58 114.19 1uuj h ASN 73 Ca 0.06 -0.18 -0.03 0.00 1.87 0.00 0.00 56.30 58.02 1uuj h ASN 73 Cb 0.63 -0.23 -0.04 0.00 0.27 0.00 0.00 38.32 38.95 1uuj h ASN 73 CO 0.04 0.83 0.38 -0.08 -0.37 0.00 0.00 177.43 178.23 1uuj h GLU 74 N 0.90 1.18 -0.16 6.67 4.57 -0.73 0.41 114.58 127.42 1uuj h GLU 74 Ca 0.21 -0.18 -0.06 0.00 -1.18 0.00 0.00 59.36 58.15 1uuj h GLU 74 Cb 0.22 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1uuj h GLU 74 CO -0.02 0.91 -0.18 0.00 -1.18 0.00 0.00 179.01 178.55 1uuj h ALA 75 N 1.20 1.40 0.06 2.92 0.00 -0.33 -0.04 119.26 124.48 1uuj h ALA 75 Ca 0.28 -0.25 -0.24 0.00 0.00 0.00 0.00 54.91 54.70 1uuj h ALA 75 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1uuj h ALA 75 CO -0.03 0.41 -1.08 0.87 0.00 0.00 0.00 179.25 179.42 1uuj h LYS 76 N 0.25 0.21 -0.60 0.00 1.57 -0.88 -3.26 116.57 113.87 1uuj h LYS 76 Ca 0.05 -0.31 -0.09 0.00 -1.87 0.00 0.00 60.65 58.43 1uuj h LYS 76 Cb 0.47 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1uuj h LYS 76 CO 0.03 1.10 0.04 0.93 -0.57 0.00 0.00 179.45 180.98 1uuj h GLU 77 N 0.08 1.04 -1.85 3.15 5.08 -0.52 -2.64 114.58 118.92 1uuj h GLU 77 Ca -0.08 -0.31 -0.31 0.00 -1.00 0.00 0.00 59.36 57.65 1uuj h GLU 77 Cb 1.79 -0.10 -0.12 0.00 0.50 0.00 0.00 28.75 30.82 1uuj h GLU 77 CO 0.17 1.00 0.19 0.39 -1.00 0.00 0.00 179.01 179.76 1uuj n GLU 78 N -4.23 1.94 0.00 2.33 1.02 -0.06 -5.09 120.64 116.54 1uuj n GLU 78 Ca 0.03 -1.50 0.00 0.00 -0.02 0.00 0.00 57.16 55.66 1uuj n GLU 78 Cb 0.32 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 1uuj n GLU 78 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50