#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 4.18 0.80 6.55 1.43 -1.26 -4.98 118.68 125.40 1uuj s LEU 3 Ca 0.00 2.76 -0.11 0.00 -1.03 0.00 0.00 54.13 55.75 1uuj s LEU 3 Cb 0.00 -3.91 0.07 0.00 0.03 0.00 0.00 46.19 42.38 1uuj s LEU 3 CO 0.00 -0.97 1.12 -0.94 0.23 0.00 0.00 176.35 175.79 1uuj s SER 4 N -0.64 4.11 0.24 2.29 1.04 -1.26 -4.78 113.70 114.69 1uuj s SER 4 Ca 0.58 1.98 -0.07 0.00 0.48 0.00 0.00 55.95 58.92 1uuj s SER 4 Cb -0.40 -2.54 0.23 0.00 0.10 0.00 0.00 66.02 63.41 1uuj s SER 4 CO 0.52 -2.31 1.91 -0.61 0.98 0.00 0.00 173.24 173.73 1uuj h GLN 5 N -1.16 1.19 -0.17 4.02 5.75 -1.98 0.46 115.11 123.21 1uuj h GLN 5 Ca -0.44 -0.07 0.05 0.00 -0.15 0.00 0.00 58.65 58.04 1uuj h GLN 5 Cb 1.25 -0.27 -0.06 0.00 1.07 0.00 0.00 27.48 29.47 1uuj h GLN 5 CO 0.49 0.79 -0.24 -0.09 -2.65 0.00 0.00 178.83 177.12 1uuj h ARG 6 N 1.23 -0.27 -0.40 1.69 2.43 -2.00 0.77 114.38 117.83 1uuj h ARG 6 Ca 0.34 0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.40 1uuj h ARG 6 Cb -0.12 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1uuj h ARG 6 CO -0.08 -0.18 -0.28 1.96 -1.51 0.00 0.00 179.97 179.88 1uuj h GLN 7 N -0.28 0.85 -0.63 0.20 1.08 -1.82 -2.29 115.11 112.22 1uuj h GLN 7 Ca 0.11 -0.38 -0.06 0.00 -1.45 0.00 0.00 58.65 56.88 1uuj h GLN 7 Cb 0.46 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.84 1uuj h GLN 7 CO -0.34 1.02 0.16 -0.09 -0.95 0.00 0.00 178.83 178.64 1uuj h ARG 8 N 0.72 0.98 -0.44 1.46 9.65 -0.57 -1.08 114.38 125.09 1uuj h ARG 8 Ca 0.09 -0.21 -0.07 0.00 -1.10 0.00 0.00 59.98 58.68 1uuj h ARG 8 Cb 0.83 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.24 1uuj h ARG 8 CO 0.07 0.86 -0.03 -0.44 2.80 0.00 0.00 179.97 183.23 1uuj h ASP 9 N 0.94 0.71 -0.29 -3.80 3.32 -0.44 -0.45 116.42 116.40 1uuj h ASP 9 Ca 0.20 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 1uuj h ASP 9 Cb 0.32 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1uuj h ASP 9 CO -0.00 0.80 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.82 1uuj h GLU 10 N 0.68 0.63 -0.51 3.56 5.08 -1.08 -1.30 114.58 121.64 1uuj h GLU 10 Ca 0.13 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1uuj h GLU 10 Cb 0.47 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1uuj h GLU 10 CO 0.02 0.87 0.32 1.25 -1.00 0.00 0.00 179.01 180.48 1uuj h LEU 11 N 0.37 0.60 -0.78 1.33 5.85 -1.05 -0.82 115.31 120.80 1uuj h LEU 11 Ca 0.06 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1uuj h LEU 11 Cb 0.70 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1uuj h LEU 11 CO 0.05 0.45 0.26 0.78 -0.34 0.00 0.00 178.44 179.64 1uuj h ASN 12 N 0.68 1.09 -0.24 1.25 2.35 -0.97 0.21 115.58 119.95 1uuj h ASN 12 Ca 0.18 -0.19 -0.12 0.00 -0.55 0.00 0.00 56.30 55.62 1uuj h ASN 12 Cb -0.05 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.03 1uuj h ASN 12 CO -0.04 0.99 -0.28 0.03 -1.65 0.00 0.00 177.43 176.49 1uuj h ARG 13 N 1.13 0.74 -0.74 0.81 3.08 -0.93 -0.12 114.38 118.35 1uuj h ARG 13 Ca 0.25 -0.32 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 1uuj h ARG 13 Cb 0.28 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1uuj h ARG 13 CO -0.01 0.93 0.23 0.00 -1.07 0.00 0.00 179.97 180.06 1uuj h ALA 14 N 1.05 0.97 -0.20 0.04 0.00 -0.49 -1.45 119.26 119.19 1uuj h ALA 14 Ca 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1uuj h ALA 14 Cb 0.80 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1uuj h ALA 14 CO 0.07 0.66 0.04 0.82 0.00 0.00 0.00 179.25 180.84 1uuj h ILE 15 N 1.11 1.21 -0.16 0.00 2.04 -0.65 -1.40 117.51 119.65 1uuj h ILE 15 Ca 0.24 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.45 1uuj h ILE 15 Cb 0.31 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 1uuj h ILE 15 CO -0.01 0.21 -0.11 0.00 0.00 0.00 0.00 178.15 178.25 1uuj h ALA 16 N 0.85 0.02 -0.80 1.87 0.00 -0.88 -0.41 119.26 119.91 1uuj h ALA 16 Ca 0.06 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1uuj h ALA 16 Cb 0.29 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1uuj h ALA 16 CO 0.00 -0.55 0.45 0.22 0.00 0.00 0.00 179.25 179.38 1uuj h ASP 17 N -0.11 0.98 -0.22 0.00 1.82 -1.13 -1.84 116.42 115.92 1uuj h ASP 17 Ca 0.10 -0.09 0.03 0.00 -0.39 0.00 0.00 57.03 56.68 1uuj h ASP 17 Cb 0.25 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 39.99 1uuj h ASP 17 CO -0.23 0.78 0.05 0.22 -1.61 0.00 0.00 179.24 178.46 1uuj h TYR 18 N 1.10 0.09 -0.52 0.28 3.20 -0.66 0.18 116.97 120.64 1uuj h TYR 18 Ca 0.28 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 1uuj h TYR 18 Cb 0.01 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 1uuj h TYR 18 CO -0.00 0.03 0.30 -0.07 -1.64 0.00 0.00 178.16 176.79 1uuj h LEU 19 N 0.14 0.63 -0.21 2.82 3.38 -0.74 -0.99 115.31 120.34 1uuj h LEU 19 Ca 0.10 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1uuj h LEU 19 Cb 0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1uuj h LEU 19 CO -0.12 0.52 -0.10 -0.09 0.09 0.00 0.00 178.44 178.74 1uuj h ARG 20 N 0.70 0.44 0.00 1.13 2.43 -1.08 -1.02 114.38 116.97 1uuj h ARG 20 Ca 0.19 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1uuj h ARG 20 Cb 0.01 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1uuj h ARG 20 CO -0.03 0.72 -0.14 0.66 -1.51 0.00 0.00 179.97 179.67 1uuj h SER 21 N 0.15 0.00 -0.51 -3.80 4.64 -0.77 -2.89 113.55 110.38 1uuj h SER 21 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1uuj h SER 21 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1uuj h SER 21 CO 0.03 0.14 0.00 0.59 -0.87 0.00 0.00 176.83 176.72 1uuj n ASN 22 N -3.18 3.64 0.00 4.97 3.02 -0.39 -4.96 115.26 118.36 1uuj n ASN 22 Ca 0.02 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 1uuj n ASN 22 Cb 0.50 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 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 1.55 0.61 2.68 7.41 0.00 -1.09 -4.99 105.19 111.36 1uuj n GLY 23 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 3.01 0.02 1.61 4.01 -0.40 -4.78 117.16 118.63 1uuj n TYR 24 Ca 0.00 -2.90 -0.11 0.00 -0.16 0.00 0.00 57.90 54.73 1uuj n TYR 24 Cb 0.00 -2.22 0.02 0.00 -0.31 0.00 0.00 39.34 36.83 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 5.56 0.54 -0.43 -0.72 4.39 -1.89 -0.66 114.58 121.38 1uuj h GLU 25 Ca 0.57 -0.40 -0.06 0.00 0.34 0.00 0.00 59.36 59.80 1uuj h GLU 25 Cb 0.54 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 1uuj h GLU 25 CO 1.72 1.03 0.03 0.93 -1.16 0.00 0.00 179.01 181.56 1uuj h GLU 26 N 0.39 0.74 -0.44 2.33 4.39 -1.95 -1.83 114.58 118.22 1uuj h GLU 26 Ca -0.02 -0.22 -0.12 0.00 0.34 0.00 0.00 59.36 59.34 1uuj h GLU 26 Cb 1.25 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 1uuj h GLU 26 CO 0.12 0.80 -0.19 0.00 -1.16 0.00 0.00 179.01 178.58 1uuj h ALA 27 N 0.92 0.84 -0.07 3.43 0.00 -1.92 -2.42 119.26 120.04 1uuj h ALA 27 Ca 0.13 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1uuj h ALA 27 Cb 0.44 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1uuj h ALA 27 CO 0.02 0.64 -0.12 -0.92 0.00 0.00 0.00 179.25 178.87 1uuj h TYR 28 N 0.75 -0.30 -0.26 0.00 3.20 -0.93 0.84 116.97 120.27 1uuj h TYR 28 Ca 0.11 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.02 1uuj h TYR 28 Cb 0.72 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.11 1uuj h TYR 28 CO 0.04 -0.18 0.07 1.03 -1.64 0.00 0.00 178.16 177.48 1uuj h SER 29 N -0.17 0.06 -0.36 -2.11 0.87 -1.20 -0.71 113.55 109.93 1uuj h SER 29 Ca 0.07 0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.59 1uuj h SER 29 Cb 0.26 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1uuj h SER 29 CO -0.17 0.06 -0.06 0.58 -0.53 0.00 0.00 176.83 176.72 1uuj h VAL 30 N 0.18 1.27 -0.56 2.23 2.07 -1.31 -2.83 116.25 117.31 1uuj h VAL 30 Ca 0.12 -1.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 1uuj h VAL 30 Cb 0.10 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1uuj h VAL 30 CO -0.14 0.36 0.21 0.15 0.02 0.00 0.00 177.57 178.17 1uuj h PHE 31 N 0.47 0.86 -0.48 1.57 3.57 -0.69 0.60 116.94 122.85 1uuj h PHE 31 Ca 0.09 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1uuj h PHE 31 Cb 0.55 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1uuj h PHE 31 CO 0.05 0.71 0.22 0.87 -2.23 0.00 0.00 178.31 177.92 1uuj h LYS 32 N 0.76 0.67 0.08 1.11 1.57 -0.98 0.80 116.57 120.58 1uuj h LYS 32 Ca 0.18 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1uuj h LYS 32 Cb 0.22 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1uuj h LYS 32 CO -0.01 0.53 -0.04 0.87 -0.57 0.00 0.00 179.45 180.23 1uuj h LYS 33 N 0.67 -0.10 -0.35 3.15 1.57 -1.24 0.78 116.57 121.06 1uuj h LYS 33 Ca 0.17 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.86 1uuj h LYS 33 Cb 0.09 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1uuj h LYS 33 CO -0.02 0.07 -0.16 0.93 -0.57 0.00 0.00 179.45 179.70 1uuj h GLU 34 N -0.25 0.72 0.00 3.15 5.08 -0.54 -2.90 114.58 119.83 1uuj h GLU 34 Ca -0.01 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1uuj h GLU 34 Cb 0.22 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1uuj h GLU 34 CO 0.02 0.92 0.00 0.00 -1.00 0.00 0.00 179.01 178.94 1uuj n ALA 35 N -2.46 2.52 -3.41 3.43 0.00 0.24 -4.94 120.51 115.89 1uuj n ALA 35 Ca -0.02 -0.16 -0.20 0.00 0.00 0.00 0.00 53.44 53.06 1uuj n ALA 35 Cb 0.39 -1.48 0.05 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.18 -1.71 -4.64 0.00 1.02 -0.50 -5.00 120.64 108.64 1uuj n GLU 36 Ca 0.17 0.78 -0.23 0.00 -0.02 0.00 0.00 57.16 57.86 1uuj n GLU 36 Cb 0.18 -5.03 -0.16 0.00 -0.02 0.00 0.00 31.44 26.42 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 -5.63 1.91 0.00 -4.62 2.96 0.15 -5.04 118.68 108.40 1uuj s LEU 37 Ca 0.40 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 54.08 1uuj s LEU 37 Cb -0.09 -0.77 0.04 0.00 0.50 0.00 0.00 46.19 45.87 1uuj s LEU 37 CO 0.79 0.13 0.35 0.47 -1.32 0.00 0.00 176.35 176.78 1uuj n ASP 38 N 3.06 2.49 -3.76 3.68 8.00 -1.26 -4.61 116.55 124.14 1uuj n ASP 38 Ca -0.17 -2.61 0.02 0.00 0.71 0.00 0.00 54.79 52.75 1uuj n ASP 38 Cb 0.54 -0.04 0.01 0.00 -0.02 0.00 0.00 41.12 41.61 1uuj n ASP 38 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1uuj s ASN 40 N -3.74 -0.01 0.32 -2.24 2.20 -1.26 -5.09 114.94 105.12 1uuj s ASN 40 Ca 0.27 -0.20 0.01 0.00 -0.94 0.00 0.00 52.86 52.00 1uuj s ASN 40 Cb -0.02 0.16 0.53 0.00 -2.00 0.00 0.00 41.25 39.92 1uuj s ASN 40 CO 0.17 -0.31 1.89 -0.08 -2.94 0.00 0.00 177.10 175.84 1uuj h GLU 41 N 2.00 0.74 0.21 3.55 4.57 -2.05 0.02 114.58 123.62 1uuj h GLU 41 Ca -0.24 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 57.81 1uuj h GLU 41 Cb 1.19 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 1uuj h GLU 41 CO 0.31 0.63 -0.10 1.49 -1.18 0.00 0.00 179.01 180.16 1uuj h GLU 42 N 0.73 -0.28 -0.69 1.92 4.81 -2.04 -1.29 114.58 117.74 1uuj h GLU 42 Ca 0.17 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1uuj h GLU 42 Cb 0.19 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1uuj h GLU 42 CO -0.01 -0.17 0.33 -0.07 -0.73 0.00 0.00 179.01 178.36 1uuj h LEU 43 N -0.31 0.90 -0.51 1.64 3.38 -1.97 -0.55 115.31 117.90 1uuj h LEU 43 Ca -0.03 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 57.88 1uuj h LEU 43 Cb 0.24 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1uuj h LEU 43 CO 0.05 0.78 0.15 0.44 0.09 0.00 0.00 178.44 179.96 1uuj h ASP 44 N 0.96 0.12 -0.29 -0.43 3.32 -0.83 -0.88 116.42 118.40 1uuj h ASP 44 Ca 0.24 0.07 -0.14 0.00 0.02 0.00 0.00 57.03 57.21 1uuj h ASP 44 Cb 0.12 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1uuj h ASP 44 CO -0.03 0.09 -0.38 0.11 -1.72 0.00 0.00 179.24 177.31 1uuj h LYS 45 N 0.32 0.77 -0.69 3.56 1.57 -0.90 -2.10 116.57 119.08 1uuj h LYS 45 Ca 0.25 -0.44 -0.06 0.00 -1.87 0.00 0.00 60.65 58.53 1uuj h LYS 45 Cb 0.29 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 1uuj h LYS 45 CO -0.28 1.07 0.21 -0.22 -0.57 0.00 0.00 179.45 179.66 1uuj h LYS 46 N 0.52 1.07 -0.25 3.15 3.64 -0.73 -2.91 116.57 121.07 1uuj h LYS 46 Ca 0.03 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1uuj h LYS 46 Cb 0.97 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1uuj h LYS 46 CO 0.09 0.92 0.00 0.66 -2.27 0.00 0.00 179.45 178.85 1uuj n TYR 47 N -4.26 0.31 -1.78 1.91 4.01 -0.37 -4.88 117.16 112.11 1uuj n TYR 47 Ca 0.06 -0.15 -0.42 0.00 -0.16 0.00 0.00 57.90 57.22 1uuj n TYR 47 Cb 0.23 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.23 1uuj n TYR 47 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1uuj s ALA 48 N -1.69 3.64 0.00 -0.72 0.00 -0.79 -2.18 121.76 120.01 1uuj s ALA 48 Ca 0.35 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.58 1uuj s ALA 48 Cb 0.21 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1uuj s ALA 48 CO 0.30 -1.40 0.00 0.41 0.00 0.00 0.00 175.76 175.06 1uuj n GLY 49 N 4.33 1.62 0.17 0.00 0.00 -1.26 -4.91 105.19 105.14 1uuj n GLY 49 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 0.51 -0.44 0.99 5.85 -1.78 0.32 115.31 120.76 1uuj h LEU 50 Ca 0.00 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 1uuj h LEU 50 Cb 0.00 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1uuj h LEU 50 CO 0.00 0.69 0.16 0.25 -0.34 0.00 0.00 178.44 179.20 1uuj h LEU 51 N 0.30 0.63 -0.71 2.25 5.85 -1.79 -1.02 115.31 120.82 1uuj h LEU 51 Ca 0.08 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 1uuj h LEU 51 Cb 0.44 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1uuj h LEU 51 CO 0.02 0.65 0.22 -0.08 -0.34 0.00 0.00 178.44 178.90 1uuj h GLU 52 N 0.58 1.11 0.20 1.25 4.81 -1.90 -0.18 114.58 120.44 1uuj h GLU 52 Ca 0.15 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1uuj h GLU 52 Cb 0.23 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1uuj h GLU 52 CO -0.01 0.95 -0.22 -0.22 -0.73 0.00 0.00 179.01 178.78 1uuj h LYS 53 N 1.05 -0.44 -0.52 1.92 3.64 -0.64 -3.03 116.57 118.55 1uuj h LYS 53 Ca 0.23 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.59 1uuj h LYS 53 Cb 0.31 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1uuj h LYS 53 CO -0.01 -0.30 0.15 0.87 -2.27 0.00 0.00 179.45 177.89 1uuj h LYS 54 N -0.46 0.82 -0.76 1.90 1.57 -0.98 -2.71 116.57 115.95 1uuj h LYS 54 Ca 0.00 -0.19 0.17 0.00 -1.87 0.00 0.00 60.65 58.77 1uuj h LYS 54 Cb 0.44 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.59 1uuj h LYS 54 CO -0.07 0.77 0.52 2.35 -0.57 0.00 0.00 179.45 182.45 1uuj h TRP 55 N 0.72 0.37 -0.62 -1.35 2.91 -0.93 -2.04 115.95 115.00 1uuj h TRP 55 Ca 0.17 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.20 1uuj h TRP 55 Cb 0.30 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 28.84 1uuj h TRP 55 CO 0.02 0.13 0.00 0.25 -1.03 0.00 0.00 178.44 177.81 1uuj n THR 56 N -4.45 1.43 0.83 2.65 -2.24 -1.04 -4.68 114.28 106.78 1uuj n THR 56 Ca 0.15 -1.13 0.09 0.00 -2.27 0.00 0.00 64.05 60.89 1uuj n THR 56 Cb 0.62 0.30 -0.11 0.00 -2.10 0.00 0.00 70.33 69.04 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 1.15 0.86 0.12 3.42 7.64 -0.77 -4.68 113.62 121.38 1uuj n SER 57 Ca 0.23 -0.89 -0.13 0.00 1.01 0.00 0.00 58.87 59.09 1uuj n SER 57 Cb 0.73 1.04 -0.06 0.00 -1.01 0.00 0.00 64.21 64.91 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 0.64 -0.47 0.44 2.07 -1.84 0.40 116.25 117.49 1uuj h VAL 58 Ca 0.00 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.38 1uuj h VAL 58 Cb 0.46 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1uuj h VAL 58 CO 0.00 0.00 -0.23 0.40 0.02 0.00 0.00 177.57 177.76 1uuj h ILE 59 N -0.35 1.27 -0.99 4.57 1.08 -1.98 -0.47 117.51 120.65 1uuj h ILE 59 Ca 0.01 -1.40 0.01 0.00 -0.39 0.00 0.00 64.86 63.09 1uuj h ILE 59 Cb 0.33 1.15 -0.05 0.00 -3.07 0.00 0.00 36.82 35.18 1uuj h ILE 59 CO -0.05 0.48 0.65 -0.09 -0.69 0.00 0.00 178.15 178.46 1uuj h ARG 60 N 0.85 1.29 -0.00 2.37 2.43 -1.78 -0.64 114.38 118.90 1uuj h ARG 60 Ca 0.11 -0.08 -0.24 0.00 -0.81 0.00 0.00 59.98 58.96 1uuj h ARG 60 Cb 0.82 -0.29 0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1uuj h ARG 60 CO 0.07 0.85 -0.98 -0.07 -1.51 0.00 0.00 179.97 178.33 1uuj h LEU 61 N 1.33 0.69 -0.48 3.80 3.38 -0.58 -1.37 115.31 122.09 1uuj h LEU 61 Ca 0.36 -0.55 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1uuj h LEU 61 Cb -0.14 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.36 1uuj h LEU 61 CO -0.08 1.35 0.26 1.56 0.09 0.00 0.00 178.44 181.62 1uuj h GLN 62 N 0.30 0.50 -0.78 1.13 4.20 -0.85 -0.41 115.11 119.21 1uuj h GLN 62 Ca -0.10 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.60 1uuj h GLN 62 Cb 1.63 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 29.25 1uuj h GLN 62 CO 0.18 0.33 0.50 0.87 -0.67 0.00 0.00 178.83 180.04 1uuj h LYS 63 N 0.51 0.97 -0.26 1.46 1.57 -1.06 -2.92 116.57 116.84 1uuj h LYS 63 Ca 0.20 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 1uuj h LYS 63 Cb 0.07 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 1uuj h LYS 63 CO -0.12 0.64 -0.26 -0.22 -0.57 0.00 0.00 179.45 178.92 1uuj h LYS 64 N 1.00 0.64 0.00 3.15 3.64 -0.69 -0.82 116.57 123.49 1uuj h LYS 64 Ca 0.30 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1uuj h LYS 64 Cb -0.04 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1uuj h LYS 64 CO -0.09 0.94 0.00 0.28 -2.27 0.00 0.00 179.45 178.31 1uuj n VAL 65 N -4.32 0.00 0.00 2.00 0.31 -0.21 -0.93 118.33 115.18 1uuj n VAL 65 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1uuj n VAL 65 Cb 0.45 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 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 0.06 0.00 -0.03 5.55 2.13 -0.32 -0.81 120.64 127.22 1uuj n GLU 67 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 1uuj n GLU 67 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 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 0.18 -1.03 4.31 3.38 -1.30 -1.63 115.31 119.23 1uuj h LEU 68 Ca 0.00 -0.50 0.07 0.00 0.09 0.00 0.00 57.88 57.53 1uuj h LEU 68 Cb 0.00 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 1uuj h LEU 68 CO 0.00 0.65 0.64 -0.33 0.09 0.00 0.00 178.44 179.49 1uuj h GLU 69 N -0.28 1.12 -0.24 1.13 5.08 -1.21 -0.64 114.58 119.53 1uuj h GLU 69 Ca 0.01 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1uuj h GLU 69 Cb 0.60 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1uuj h GLU 69 CO 0.02 0.74 -0.15 1.03 -1.00 0.00 0.00 179.01 179.65 1uuj h SER 70 N 1.15 0.39 -0.10 1.42 0.87 -1.78 0.93 113.55 116.42 1uuj h SER 70 Ca 0.43 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.88 1uuj h SER 70 Cb 0.19 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1uuj h SER 70 CO -0.17 0.56 0.02 0.11 -0.53 0.00 0.00 176.83 176.82 1uuj h LYS 71 N 0.37 0.17 -0.44 2.24 1.57 -0.58 -1.61 116.57 118.29 1uuj h LYS 71 Ca 0.07 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1uuj h LYS 71 Cb 0.48 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1uuj h LYS 71 CO 0.03 0.37 0.17 -0.07 -0.57 0.00 0.00 179.45 179.38 1uuj h LEU 72 N -0.06 0.56 -0.13 2.94 -0.00 -0.87 -1.55 115.31 116.22 1uuj h LEU 72 Ca 0.03 -0.06 -0.05 0.00 -0.00 0.00 0.00 57.88 57.80 1uuj h LEU 72 Cb 0.28 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1uuj h LEU 72 CO 0.00 0.51 -0.13 0.78 -0.00 0.00 0.00 178.44 179.61 1uuj h ASN 73 N 0.62 0.33 0.95 -0.43 2.35 -0.47 -3.08 115.58 115.85 1uuj h ASN 73 Ca 0.15 -0.49 -0.07 0.00 -0.55 0.00 0.00 56.30 55.35 1uuj h ASN 73 Cb 0.13 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1uuj h ASN 73 CO -0.02 0.75 -0.32 1.05 -1.65 0.00 0.00 177.43 177.24 1uuj h GLU 74 N -0.08 0.00 0.00 0.81 4.11 -1.30 -3.15 114.58 114.96 1uuj h GLU 74 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1uuj h GLU 74 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1uuj h GLU 74 CO 0.03 0.32 0.00 0.00 0.07 0.00 0.00 179.01 179.44 1uuj n ALA 75 N -2.26 2.05 -1.52 1.06 0.00 -0.58 -2.87 120.51 116.38 1uuj n ALA 75 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.50 1uuj n ALA 75 Cb 0.50 -1.42 0.20 0.00 0.00 0.00 0.00 19.45 18.73 1uuj n ALA 75 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1uuj n LYS 76 N -2.03 1.54 0.00 0.00 5.02 -1.18 -5.06 118.16 116.44 1uuj n LYS 76 Ca 0.05 -3.19 0.10 0.00 -2.02 0.00 0.00 58.31 53.25 1uuj n LYS 76 Cb 0.33 -1.60 0.09 0.00 -0.02 0.00 0.00 35.03 33.83 1uuj n LYS 76 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27