#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3glw s LYS 5 N 0.00 3.81 0.02 2.89 2.20 -1.26 -4.58 119.74 122.81 3glw s LYS 5 Ca 0.00 0.28 -0.24 0.00 -0.36 0.00 0.00 55.97 55.64 3glw s LYS 5 Cb 0.00 -2.67 -0.05 0.00 -1.51 0.00 0.00 37.83 33.60 3glw s LYS 5 CO 0.00 0.33 0.75 0.00 -0.36 0.00 0.00 175.35 176.07 3glw s ALA 6 N -1.79 3.36 -0.22 3.13 0.00 -1.26 -2.20 121.76 122.78 3glw s ALA 6 Ca 0.46 0.24 -0.09 0.00 0.00 0.00 0.00 51.96 52.58 3glw s ALA 6 Cb -0.11 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 3glw s ALA 6 CO 0.21 0.02 0.11 0.08 0.00 0.00 0.00 175.76 176.18 3glw s VAL 7 N 0.17 4.97 -0.34 0.00 1.01 -0.94 -4.99 120.40 120.29 3glw s VAL 7 Ca 0.38 0.04 -0.22 0.00 0.00 0.00 0.00 61.98 62.18 3glw s VAL 7 Cb -0.20 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.90 3glw s VAL 7 CO 0.22 0.39 0.74 -0.63 0.00 0.00 0.00 175.10 175.82 3glw s ILE 8 N 0.89 4.80 -0.10 2.22 1.01 -1.26 -0.15 121.20 128.60 3glw s ILE 8 Ca 0.06 0.93 -0.06 0.00 0.00 0.00 0.00 60.65 61.57 3glw s ILE 8 Cb -0.13 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 3glw s ILE 8 CO 0.03 -0.32 -0.12 0.11 0.00 0.00 0.00 174.94 174.63 3glw h LYS 9 N 8.33 0.00 -4.87 2.79 1.79 -1.38 -3.47 116.57 119.76 3glw h LYS 9 Ca -0.25 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.72 3glw h LYS 9 Cb 1.10 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 31.43 3glw h LYS 9 CO 0.88 0.00 -0.81 1.21 -1.08 0.00 0.00 179.45 179.64 3glw s ASN 10 N -5.16 1.72 0.08 0.86 2.47 -0.78 -5.03 114.94 109.11 3glw s ASN 10 Ca -0.10 -0.28 0.07 0.00 0.42 0.00 0.00 52.86 52.97 3glw s ASN 10 Cb 0.01 -0.54 -0.03 0.00 -1.45 0.00 0.00 41.25 39.24 3glw s ASN 10 CO 0.15 0.09 -0.19 0.00 -3.72 0.00 0.00 177.10 173.43 3glw s ALA 11 N 0.24 1.63 -0.47 1.71 0.00 -1.26 0.06 121.76 123.68 3glw s ALA 11 Ca -0.06 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 50.79 3glw s ALA 11 Cb -0.11 -0.23 0.16 0.00 0.00 0.00 0.00 23.12 22.95 3glw s ALA 11 CO 0.02 0.32 0.36 0.34 0.00 0.00 0.00 175.76 176.79 3glw s ASP 12 N -1.72 2.41 -0.13 0.00 2.15 0.21 -4.97 116.67 114.63 3glw s ASP 12 Ca 0.05 -3.13 -0.15 0.00 0.43 0.00 0.00 52.55 49.74 3glw s ASP 12 Cb -0.10 -0.73 0.04 0.00 -0.30 0.00 0.00 42.92 41.84 3glw s ASP 12 CO 0.03 -0.17 0.41 -0.32 -0.17 0.00 0.00 175.17 174.95 3glw s MET 13 N -0.16 0.53 -0.35 4.34 1.75 -1.22 -0.77 119.30 123.42 3glw s MET 13 Ca 0.29 0.43 -0.44 0.00 -1.25 0.00 0.00 55.69 54.72 3glw s MET 13 Cb -0.02 0.25 -0.19 0.00 2.84 0.00 0.00 34.83 37.71 3glw s MET 13 CO -0.16 -0.09 1.52 0.45 -0.65 0.00 0.00 175.02 176.09 3glw n SER 14 N 2.52 1.21 -0.23 1.11 2.88 -1.21 -4.74 113.62 115.16 3glw n SER 14 Ca -0.15 1.16 -0.02 0.00 -1.33 0.00 0.00 58.87 58.53 3glw n SER 14 Cb 0.57 -0.94 0.04 0.00 -0.75 0.00 0.00 64.21 63.13 3glw n SER 14 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3glw h GLU 15 N 5.00 -0.08 0.04 -1.46 4.39 -1.99 0.54 114.58 121.03 3glw h GLU 15 Ca -0.46 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.25 3glw h GLU 15 Cb 1.37 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.02 3glw h GLU 15 CO 0.91 -0.05 -0.15 1.49 -1.16 0.00 0.00 179.01 180.05 3glw h GLU 16 N -0.08 -0.21 -0.86 2.33 4.81 -2.00 -2.28 114.58 116.29 3glw h GLU 16 Ca 0.29 0.01 0.22 0.00 -0.13 0.00 0.00 59.36 59.76 3glw h GLU 16 Cb 0.54 0.05 -0.16 0.00 0.63 0.00 0.00 28.75 29.81 3glw h GLU 16 CO -0.72 -0.14 -0.04 -0.12 -0.73 0.00 0.00 179.01 177.27 3glw n MET 17 N -3.28 -0.07 -0.31 1.92 1.56 -0.33 0.31 117.12 116.91 3glw n MET 17 Ca -0.02 1.30 0.14 0.00 -0.27 0.00 0.00 57.70 58.84 3glw n MET 17 Cb 0.12 -2.04 0.32 0.00 2.15 0.00 0.00 33.22 33.77 3glw n MET 17 CO 0.00 0.00 0.00 1.96 -0.73 0.00 0.00 175.97 177.20 3glw h GLN 18 N 0.00 0.44 0.55 2.12 4.20 0.56 -0.08 115.11 122.90 3glw h GLN 18 Ca 0.50 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.15 3glw h GLN 18 Cb 0.97 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.66 3glw h GLN 18 CO -0.83 0.29 -0.27 0.37 -0.67 0.00 0.00 178.83 177.73 3glw h GLN 19 N 0.45 -0.72 -0.62 1.46 5.75 0.52 -1.69 115.11 120.27 3glw h GLN 19 Ca 0.57 0.05 0.06 0.00 -0.15 0.00 0.00 58.65 59.18 3glw h GLN 19 Cb 1.07 0.16 -0.07 0.00 1.07 0.00 0.00 27.48 29.71 3glw h GLN 19 CO -0.51 -0.48 -0.37 -0.25 -2.65 0.00 0.00 178.83 174.58 3glw n ASP 20 N -5.17 -0.66 -0.03 -0.69 9.92 -0.70 0.63 116.55 119.85 3glw n ASP 20 Ca -0.09 1.12 -0.14 0.00 -0.53 0.00 0.00 54.79 55.15 3glw n ASP 20 Cb 0.29 -0.15 -0.09 0.00 -0.64 0.00 0.00 41.12 40.53 3glw n ASP 20 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3glw h ALA 21 N 0.30 -0.85 -0.98 2.24 0.00 -1.00 0.68 119.26 119.64 3glw h ALA 21 Ca 0.10 -0.05 0.19 0.00 0.00 0.00 0.00 54.91 55.15 3glw h ALA 21 Cb 0.26 1.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.94 3glw h ALA 21 CO -0.59 -1.04 0.59 0.28 0.00 0.00 0.00 179.25 178.48 3glw h VAL 22 N -0.52 0.70 0.83 0.00 2.07 0.30 -0.81 116.25 118.83 3glw h VAL 22 Ca 0.03 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 3glw h VAL 22 Cb 0.62 -0.10 0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3glw h VAL 22 CO -0.43 0.13 -0.40 0.44 0.02 0.00 0.00 177.57 177.34 3glw h ASP 23 N 0.74 -0.94 0.00 0.57 3.32 0.14 -2.74 116.42 117.50 3glw h ASP 23 Ca 0.57 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.65 3glw h ASP 23 Cb 0.88 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3glw h ASP 23 CO -0.39 -0.60 0.22 0.00 -1.72 0.00 0.00 179.24 176.75 3glw h ALA 25 N 1.47 0.11 -0.96 0.00 0.00 -1.08 -2.64 119.26 116.16 3glw h ALA 25 Ca 0.00 -0.81 0.14 0.00 0.00 0.00 0.00 54.91 54.23 3glw h ALA 25 Cb 0.43 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.46 3glw h ALA 25 CO 0.00 0.32 0.57 1.79 0.00 0.00 0.00 179.25 181.93 3glw h THR 26 N -0.98 0.84 0.79 0.00 1.35 -0.80 -1.10 112.91 113.01 3glw h THR 26 Ca -0.15 -0.29 -0.04 0.00 -0.55 0.00 0.00 66.41 65.37 3glw h THR 26 Cb 1.15 -0.09 0.01 0.00 -1.73 0.00 0.00 68.15 67.49 3glw h THR 26 CO -0.09 0.16 -0.38 1.56 -0.25 0.00 0.00 175.52 176.52 3glw h GLN 27 N 0.86 -1.02 -1.17 4.72 4.20 -1.51 -2.72 115.11 118.47 3glw h GLN 27 Ca 0.50 0.07 0.33 0.00 0.06 0.00 0.00 58.65 59.61 3glw h GLN 27 Cb 0.59 0.23 -0.08 0.00 0.30 0.00 0.00 27.48 28.52 3glw h GLN 27 CO -0.31 -0.67 0.79 0.00 -0.67 0.00 0.00 178.83 177.97 3glw h ALA 28 N -0.98 2.68 0.00 3.87 0.00 -1.01 0.19 119.26 124.00 3glw h ALA 28 Ca -0.11 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3glw h ALA 28 Cb 0.82 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3glw h ALA 28 CO 0.18 -1.10 -0.37 -0.07 0.00 0.00 0.00 179.25 177.88 3glw h LEU 29 N 0.19 0.00 0.48 0.00 3.38 -1.07 0.41 115.31 118.71 3glw h LEU 29 Ca 0.63 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.58 3glw h LEU 29 Cb 2.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.77 3glw h LEU 29 CO -0.20 0.21 -0.23 -0.33 0.09 0.00 0.00 178.44 177.97 3glw h GLU 30 N 0.00 -0.62 -0.30 1.13 5.08 -0.36 -3.38 114.58 116.14 3glw h GLU 30 Ca -0.01 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3glw h GLU 30 Cb 1.17 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.50 3glw h GLU 30 CO 0.03 -0.41 -0.45 0.87 -1.00 0.00 0.00 179.01 178.04 3glw h LYS 31 N -1.05 -0.33 -6.77 2.33 6.56 -1.22 -3.45 116.57 112.64 3glw h LYS 31 Ca -0.07 0.02 -0.69 0.00 -1.06 0.00 0.00 60.65 58.85 3glw h LYS 31 Cb 0.49 0.08 -0.26 0.00 -0.57 0.00 0.00 32.23 31.97 3glw h LYS 31 CO 0.11 -0.22 -0.88 0.71 -2.06 0.00 0.00 179.45 177.11 3glw s TYR 32 N -5.14 2.32 -0.20 -1.35 2.02 0.13 -5.04 117.35 110.08 3glw s TYR 32 Ca -0.12 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.18 3glw s TYR 32 Cb 0.07 -1.37 -0.13 0.00 -0.40 0.00 0.00 41.96 40.13 3glw s TYR 32 CO 0.50 0.16 -0.18 0.09 -1.57 0.00 0.00 175.55 174.54 3glw n ASN 33 N 1.63 2.39 -4.76 2.29 5.03 -1.26 -4.53 115.26 116.05 3glw n ASN 33 Ca -0.17 -0.08 -0.40 0.00 0.87 0.00 0.00 54.58 54.80 3glw n ASN 33 Cb 0.52 -0.33 -0.03 0.00 -1.02 0.00 0.00 39.78 38.91 3glw n ASN 33 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3glw s ILE 34 N -2.40 3.27 0.17 2.41 -1.09 -1.26 -4.95 121.20 117.35 3glw s ILE 34 Ca -0.27 1.21 -0.11 0.00 -2.23 0.00 0.00 60.65 59.25 3glw s ILE 34 Cb 0.07 -3.75 0.07 0.00 -1.58 0.00 0.00 42.46 37.27 3glw s ILE 34 CO 0.45 0.24 1.67 -0.33 -1.23 0.00 0.00 174.94 175.74 3glw h GLU 35 N 3.39 0.97 -0.61 2.79 3.07 -1.93 -2.47 114.58 119.79 3glw h GLU 35 Ca -0.48 -0.25 0.06 0.00 -0.50 0.00 0.00 59.36 58.20 3glw h GLU 35 Cb 1.22 -0.12 -0.06 0.00 -0.84 0.00 0.00 28.75 28.95 3glw h GLU 35 CO 0.65 0.90 0.31 1.57 -1.40 0.00 0.00 179.01 181.04 3glw h LYS 36 N 0.87 0.55 0.71 2.33 2.10 -1.92 -0.68 116.57 120.53 3glw h LYS 36 Ca 0.18 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.77 3glw h LYS 36 Cb 0.39 -0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 31.59 3glw h LYS 36 CO 0.01 0.36 -0.44 -0.44 -2.00 0.00 0.00 179.45 176.94 3glw h ASP 37 N 0.56 -1.12 -0.64 7.07 3.32 -1.92 -0.43 116.42 123.26 3glw h ASP 37 Ca 0.28 0.06 0.09 0.00 0.02 0.00 0.00 57.03 57.48 3glw h ASP 37 Cb 0.22 0.33 -0.11 0.00 0.22 0.00 0.00 39.33 39.99 3glw h ASP 37 CO -0.21 -0.68 -0.47 0.40 -1.72 0.00 0.00 179.24 176.56 3glw h ILE 38 N -1.09 0.05 -0.85 0.35 2.04 -0.95 0.51 117.51 117.59 3glw h ILE 38 Ca -0.09 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.81 3glw h ILE 38 Cb 0.88 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 3glw h ILE 38 CO 0.09 0.00 0.56 0.00 0.00 0.00 0.00 178.15 178.80 3glw h ALA 39 N 0.57 1.49 -0.34 1.87 0.00 -1.15 -2.33 119.26 119.38 3glw h ALA 39 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3glw h ALA 39 Cb 0.55 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3glw h ALA 39 CO -0.73 0.41 0.16 0.00 0.00 0.00 0.00 179.25 179.09 3glw h ALA 40 N 1.51 0.44 -0.34 0.00 0.00 0.14 -0.99 119.26 120.02 3glw h ALA 40 Ca 0.34 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.23 3glw h ALA 40 Cb 0.07 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.64 3glw h ALA 40 CO -0.11 0.00 -0.25 -0.92 0.00 0.00 0.00 179.25 177.98 3glw h TYR 41 N 0.41 -0.66 -0.10 0.00 3.20 0.31 -1.53 116.97 118.61 3glw h TYR 41 Ca 0.12 0.05 -0.22 0.00 3.14 0.00 0.00 58.73 61.81 3glw h TYR 41 Cb 0.13 0.34 0.01 0.00 1.54 0.00 0.00 36.73 38.74 3glw h TYR 41 CO -0.01 -0.32 -0.83 0.82 -1.64 0.00 0.00 178.16 176.17 3glw h ILE 42 N -0.21 1.31 0.48 1.81 2.04 -1.18 -0.81 117.51 120.95 3glw h ILE 42 Ca 0.17 -2.10 -0.01 0.00 1.00 0.00 0.00 64.86 63.92 3glw h ILE 42 Cb 0.47 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 3glw h ILE 42 CO -0.46 0.65 -0.49 0.50 0.00 0.00 0.00 178.15 178.35 3glw h LYS 43 N 0.43 -0.94 -0.64 2.37 3.11 -1.14 -2.19 116.57 117.57 3glw h LYS 43 Ca -0.06 0.06 0.12 0.00 -2.81 0.00 0.00 60.65 57.96 3glw h LYS 43 Cb 1.45 0.21 -0.09 0.00 -1.00 0.00 0.00 32.23 32.80 3glw h LYS 43 CO 0.16 -0.63 0.15 0.87 -2.81 0.00 0.00 179.45 177.19 3glw h LYS 44 N -0.98 0.26 -0.37 1.90 1.57 -1.15 -1.35 116.57 116.46 3glw h LYS 44 Ca -0.06 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3glw h LYS 44 Cb 0.86 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 33.03 3glw h LYS 44 CO -0.07 0.18 -0.56 0.93 -0.57 0.00 0.00 179.45 179.36 3glw h GLU 45 N 0.27 -0.41 -0.16 3.15 4.39 -1.01 -1.62 114.58 119.19 3glw h GLU 45 Ca 0.34 0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.90 3glw h GLU 45 Cb 0.52 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 3glw h GLU 45 CO -0.42 -0.27 -0.61 0.74 -1.16 0.00 0.00 179.01 177.28 3glw h PHE 46 N -0.42 0.70 -0.57 4.33 -1.00 -0.62 0.30 116.94 119.65 3glw h PHE 46 Ca 0.07 -0.27 0.08 0.00 2.81 0.00 0.00 57.97 60.66 3glw h PHE 46 Cb 0.61 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 40.01 3glw h PHE 46 CO -0.71 1.01 0.38 -0.44 -1.61 0.00 0.00 178.31 176.95 3glw h ASP 47 N 0.40 0.41 0.00 2.17 3.32 -0.87 0.65 116.42 122.51 3glw h ASP 47 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3glw h ASP 47 Cb 1.17 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.64 3glw h ASP 47 CO 0.11 0.26 0.00 1.17 -1.72 0.00 0.00 179.24 179.06 3glw n LYS 48 N -4.47 0.00 0.12 3.56 4.81 0.57 -4.16 118.16 118.58 3glw n LYS 48 Ca 0.09 0.21 -0.11 0.00 -0.87 0.00 0.00 58.31 57.62 3glw n LYS 48 Cb 0.30 -1.07 -0.07 0.00 0.02 0.00 0.00 35.03 34.22 3glw n LYS 48 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3glw h LYS 49 N 0.00 -0.54 -6.24 1.64 1.57 -0.48 -3.41 116.57 109.11 3glw h LYS 49 Ca 0.00 0.04 -0.57 0.00 -1.87 0.00 0.00 60.65 58.25 3glw h LYS 49 Cb 0.00 0.12 -0.08 0.00 0.08 0.00 0.00 32.23 32.35 3glw h LYS 49 CO 0.00 -0.36 -0.59 0.71 -0.57 0.00 0.00 179.45 178.64 3glw s TYR 50 N -4.83 3.01 1.13 -1.35 1.51 0.22 -5.07 117.35 111.98 3glw s TYR 50 Ca -0.11 -0.09 -0.16 0.00 -1.01 0.00 0.00 57.07 55.70 3glw s TYR 50 Cb 0.03 -1.43 0.25 0.00 -0.11 0.00 0.00 41.96 40.71 3glw s TYR 50 CO 0.40 0.53 1.09 -0.80 -1.11 0.00 0.00 175.55 175.66 3glw s ASN 51 N -3.23 1.53 0.56 2.29 -0.87 -1.24 -2.20 114.94 111.77 3glw s ASN 51 Ca 0.30 0.90 -0.19 0.00 -1.57 0.00 0.00 52.86 52.30 3glw s ASN 51 Cb -0.09 -1.35 -0.08 0.00 -0.02 0.00 0.00 41.25 39.71 3glw s ASN 51 CO 0.22 -3.78 0.73 -2.65 -2.57 0.00 0.00 177.10 169.05 3glw n PRO 52 N -4.57 0.73 -3.72 -0.60 -0.02 -1.26 -4.37 135.00 121.19 3glw n PRO 52 Ca 0.09 0.28 -0.28 0.00 -2.02 0.00 0.00 63.50 61.57 3glw n PRO 52 Cb 0.58 -1.89 -0.16 0.00 -0.02 0.00 0.00 33.50 32.02 3glw n PRO 52 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3glw s THR 53 N -1.59 0.52 0.19 3.45 2.01 -1.26 -4.77 115.64 114.18 3glw s THR 53 Ca 0.71 -0.71 -0.16 0.00 0.31 0.00 0.00 61.69 61.83 3glw s THR 53 Cb -0.45 -1.12 -0.08 0.00 0.01 0.00 0.00 72.50 70.86 3glw s THR 53 CO 0.52 -0.33 0.64 0.26 -0.69 0.00 0.00 174.62 175.01 3glw s TRP 54 N 1.84 3.60 -0.04 4.92 0.52 -1.26 -2.10 118.94 126.42 3glw s TRP 54 Ca 0.02 1.20 0.05 0.00 0.02 0.00 0.00 56.10 57.39 3glw s TRP 54 Cb -0.17 -2.48 -0.01 0.00 -1.15 0.00 0.00 33.47 29.66 3glw s TRP 54 CO -0.13 0.36 -0.20 -1.01 0.02 0.00 0.00 176.95 175.98 3glw s HIS 55 N -1.54 1.96 -0.06 -1.98 3.76 0.37 -4.94 115.29 112.86 3glw s HIS 55 Ca 0.41 -0.52 0.05 0.00 -0.15 0.00 0.00 55.06 54.85 3glw s HIS 55 Cb -0.15 -1.30 -0.02 0.00 1.11 0.00 0.00 32.58 32.22 3glw s HIS 55 CO 0.20 -0.15 -0.20 0.00 -0.85 0.00 0.00 174.74 173.74 3glw s ILE 57 N -0.31 1.95 -0.03 0.00 -1.09 -0.01 -4.88 121.20 116.83 3glw s ILE 57 Ca 0.02 -1.03 0.02 0.00 -2.23 0.00 0.00 60.65 57.43 3glw s ILE 57 Cb -0.13 -1.64 0.01 0.00 -1.58 0.00 0.00 42.46 39.12 3glw s ILE 57 CO 0.02 0.55 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.51 3glw s VAL 58 N -0.34 0.78 -1.00 2.92 1.01 -1.26 -1.13 120.40 121.38 3glw s VAL 58 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.66 3glw s VAL 58 Cb -0.12 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.56 3glw s VAL 58 CO 0.01 0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.97 3glw n GLY 59 N 3.42 -0.66 0.00 4.51 0.00 -0.91 -4.83 105.19 106.71 3glw n GLY 59 Ca -0.19 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3glw n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3glw n ARG 60 N 0.00 1.25 -3.16 1.61 1.74 -1.26 -0.50 116.66 116.34 3glw n ARG 60 Ca 0.00 -0.91 0.02 0.00 -0.77 0.00 0.00 57.85 56.20 3glw n ARG 60 Cb 0.00 -0.76 -0.00 0.00 -1.02 0.00 0.00 32.46 30.68 3glw n ARG 60 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3glw s ASN 61 N -0.44 -1.45 -0.22 0.55 2.47 -1.26 -5.01 114.94 109.58 3glw s ASN 61 Ca 0.00 -0.35 -0.29 0.00 0.42 0.00 0.00 52.86 52.64 3glw s ASN 61 Cb 0.00 1.86 0.15 0.00 -1.45 0.00 0.00 41.25 41.81 3glw s ASN 61 CO 0.00 -0.20 1.13 0.72 -3.72 0.00 0.00 177.10 175.03 3glw s PHE 62 N 2.26 -0.27 0.45 0.43 -0.71 -1.26 -5.18 117.98 113.70 3glw s PHE 62 Ca 0.14 0.52 0.02 0.00 -1.04 0.00 0.00 56.93 56.58 3glw s PHE 62 Cb -0.06 0.45 -0.01 0.00 -1.21 0.00 0.00 43.02 42.20 3glw s PHE 62 CO -0.15 -0.22 0.07 0.41 -1.34 0.00 0.00 175.22 173.99 3glw n GLY 63 N 0.97 3.41 3.54 1.99 0.00 -1.26 -5.11 105.19 108.73 3glw n GLY 63 Ca -0.08 -2.24 -0.17 0.00 0.00 0.00 0.00 46.02 43.53 3glw n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3glw s SER 64 N -3.61 -0.62 -0.12 1.61 1.04 -1.26 -5.14 113.70 105.60 3glw s SER 64 Ca 0.10 0.72 -0.03 0.00 0.48 0.00 0.00 55.95 57.22 3glw s SER 64 Cb 0.01 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.73 3glw s SER 64 CO 0.07 -0.55 0.05 -0.47 0.98 0.00 0.00 173.24 173.33 3glw s TYR 65 N -1.08 0.43 -0.00 5.02 5.04 -1.26 -5.15 117.35 120.35 3glw s TYR 65 Ca -0.09 -0.24 -0.14 0.00 -2.44 0.00 0.00 57.07 54.16 3glw s TYR 65 Cb -0.00 -0.73 0.02 0.00 0.35 0.00 0.00 41.96 41.60 3glw s TYR 65 CO 0.08 -0.41 0.29 0.14 -1.34 0.00 0.00 175.55 174.32 3glw s VAL 66 N 2.05 0.06 -0.10 3.14 -7.23 -1.26 -5.16 120.40 111.91 3glw s VAL 66 Ca 0.03 -0.53 0.04 0.00 -1.81 0.00 0.00 61.98 59.71 3glw s VAL 66 Cb -0.14 -0.64 -0.00 0.00 0.56 0.00 0.00 36.38 36.15 3glw s VAL 66 CO -0.06 -0.29 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.32 3glw s THR 67 N -1.51 2.22 0.10 5.32 2.01 -1.26 -5.12 115.64 117.40 3glw s THR 67 Ca -0.12 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 60.95 3glw s THR 67 Cb -0.05 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 3glw s THR 67 CO 0.03 0.56 -0.12 -1.38 -0.69 0.00 0.00 174.62 173.02 3glw s HIS 68 N 0.27 1.18 0.34 4.92 -3.43 -1.26 -4.56 115.29 112.75 3glw s HIS 68 Ca -0.16 -0.58 -0.28 0.00 -0.80 0.00 0.00 55.06 53.24 3glw s HIS 68 Cb -0.17 -0.64 -0.10 0.00 -1.43 0.00 0.00 32.58 30.24 3glw s HIS 68 CO 0.08 0.05 1.31 -1.21 -2.00 0.00 0.00 174.74 172.97 3glw s GLU 69 N -2.53 4.30 -0.04 -0.38 2.02 -0.14 -4.93 118.70 117.02 3glw s GLU 69 Ca 0.05 2.22 -0.36 0.00 0.02 0.00 0.00 54.97 56.89 3glw s GLU 69 Cb -0.05 -3.03 -0.15 0.00 0.10 0.00 0.00 34.13 31.01 3glw s GLU 69 CO 0.01 -0.24 1.64 -2.37 0.02 0.00 0.00 175.26 174.33 3glw n THR 70 N 0.70 0.23 -0.33 3.63 5.66 -1.26 -1.62 114.28 121.29 3glw n THR 70 Ca 0.00 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 3glw n THR 70 Cb 0.42 -1.36 0.00 0.00 -1.55 0.00 0.00 70.33 67.84 3glw n THR 70 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3glw n ARG 71 N 4.51 0.00 -2.47 1.09 5.12 -1.16 -4.93 116.66 118.82 3glw n ARG 71 Ca 0.21 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.94 3glw n ARG 71 Cb 0.22 -0.85 0.02 0.00 -1.16 0.00 0.00 32.46 30.69 3glw n ARG 71 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3glw n HIS 72 N -2.00 2.48 -3.96 -1.55 8.25 0.05 -3.34 115.22 115.14 3glw n HIS 72 Ca 0.00 -2.74 -0.14 0.00 -0.26 0.00 0.00 57.72 54.58 3glw n HIS 72 Cb 0.00 -0.22 -0.14 0.00 1.12 0.00 0.00 29.99 30.74 3glw n HIS 72 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3glw s PHE 73 N -3.48 0.17 -0.09 4.41 5.36 -0.78 -1.79 117.98 121.77 3glw s PHE 73 Ca 0.41 -0.02 -0.16 0.00 -0.96 0.00 0.00 56.93 56.20 3glw s PHE 73 Cb 0.41 -0.13 0.04 0.00 -0.34 0.00 0.00 43.02 42.99 3glw s PHE 73 CO -0.07 -0.02 0.39 -1.50 -1.46 0.00 0.00 175.22 172.56 3glw s ILE 74 N 0.09 0.02 -0.17 3.12 2.07 0.09 0.68 121.20 127.09 3glw s ILE 74 Ca -0.01 -0.17 -0.05 0.00 -1.41 0.00 0.00 60.65 59.01 3glw s ILE 74 Cb -0.02 -0.61 0.08 0.00 0.13 0.00 0.00 42.46 42.04 3glw s ILE 74 CO -0.00 -0.10 0.33 -0.47 -1.91 0.00 0.00 174.94 172.79 3glw s TYR 75 N -0.45 -0.59 -0.02 3.50 5.04 0.11 -0.97 117.35 123.96 3glw s TYR 75 Ca -0.06 1.10 -0.21 0.00 -2.44 0.00 0.00 57.07 55.47 3glw s TYR 75 Cb -0.03 0.07 0.04 0.00 0.35 0.00 0.00 41.96 42.39 3glw s TYR 75 CO 0.03 -0.45 0.46 -0.59 -1.34 0.00 0.00 175.55 173.65 3glw s PHE 76 N 2.50 -0.37 0.32 4.97 -0.71 -0.34 -0.89 117.98 123.45 3glw s PHE 76 Ca 0.02 0.58 -0.17 0.00 -1.04 0.00 0.00 56.93 56.33 3glw s PHE 76 Cb -0.13 0.23 -0.09 0.00 -1.21 0.00 0.00 43.02 41.82 3glw s PHE 76 CO -0.11 -0.49 0.76 0.71 -1.34 0.00 0.00 175.22 174.75 3glw s TYR 77 N -1.40 3.42 -0.45 3.49 4.12 0.78 -0.23 117.35 127.09 3glw s TYR 77 Ca -0.12 1.30 0.04 0.00 0.02 0.00 0.00 57.07 58.31 3glw s TYR 77 Cb -0.03 -2.59 0.12 0.00 -1.52 0.00 0.00 41.96 37.94 3glw s TYR 77 CO 0.06 0.12 0.18 -0.51 0.02 0.00 0.00 175.55 175.42 3glw s LEU 78 N -2.80 4.31 0.00 -1.29 1.43 0.10 -2.20 118.68 118.23 3glw s LEU 78 Ca 0.53 -2.67 0.00 0.00 -1.03 0.00 0.00 54.13 50.96 3glw s LEU 78 Cb -0.11 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.53 3glw s LEU 78 CO 0.18 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.08 3glw n GLY 79 N 3.56 1.07 0.11 -3.19 0.00 -0.94 -3.01 105.19 102.80 3glw n GLY 79 Ca 0.05 0.27 0.11 0.00 0.00 0.00 0.00 46.02 46.45 3glw n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3glw n GLN 80 N 2.92 0.17 -5.16 1.61 1.13 -1.26 -4.75 117.38 112.04 3glw n GLN 80 Ca 0.00 0.38 -0.32 0.00 -1.94 0.00 0.00 57.00 55.13 3glw n GLN 80 Cb 0.00 -1.81 -0.16 0.00 0.11 0.00 0.00 30.24 28.38 3glw n GLN 80 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3glw s VAL 81 N -3.26 2.28 -0.18 5.09 1.01 -1.16 -4.84 120.40 119.34 3glw s VAL 81 Ca 0.05 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 3glw s VAL 81 Cb 0.10 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 3glw s VAL 81 CO 0.38 0.56 0.16 0.00 0.00 0.00 0.00 175.10 176.21 3glw s ALA 82 N -0.05 3.70 -0.17 5.51 0.00 0.35 0.00 121.76 131.11 3glw s ALA 82 Ca -0.06 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.27 3glw s ALA 82 Cb -0.15 -2.18 0.02 0.00 0.00 0.00 0.00 23.12 20.81 3glw s ALA 82 CO 0.05 0.22 -0.20 0.42 0.00 0.00 0.00 175.76 176.25 3glw s ILE 83 N 0.14 2.04 -0.14 0.00 1.09 0.68 -2.15 121.20 122.87 3glw s ILE 83 Ca 0.11 -0.93 -0.01 0.00 -1.10 0.00 0.00 60.65 58.71 3glw s ILE 83 Cb -0.12 -1.83 -0.02 0.00 -1.06 0.00 0.00 42.46 39.43 3glw s ILE 83 CO 0.00 0.54 -0.11 -0.22 -0.10 0.00 0.00 174.94 175.05 3glw s LEU 84 N 1.22 2.83 -0.06 2.97 2.96 -0.28 -1.20 118.68 127.12 3glw s LEU 84 Ca 0.03 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 53.63 3glw s LEU 84 Cb -0.13 -1.65 0.04 0.00 0.50 0.00 0.00 46.19 44.94 3glw s LEU 84 CO -0.11 0.16 0.11 -0.22 -1.32 0.00 0.00 176.35 174.97 3glw s LEU 85 N 0.40 0.54 0.06 -0.68 2.96 -0.15 -0.83 118.68 120.97 3glw s LEU 85 Ca -0.09 0.22 -0.13 0.00 -0.22 0.00 0.00 54.13 53.91 3glw s LEU 85 Cb -0.15 0.18 0.02 0.00 0.50 0.00 0.00 46.19 46.73 3glw s LEU 85 CO 0.05 -0.18 0.29 0.72 -1.32 0.00 0.00 176.35 175.91 3glw s PHE 86 N 1.55 -0.07 -0.20 5.38 -0.71 -1.04 -0.74 117.98 122.14 3glw s PHE 86 Ca -0.04 -0.13 -0.11 0.00 -1.04 0.00 0.00 56.93 55.60 3glw s PHE 86 Cb -0.12 0.08 -0.05 0.00 -1.21 0.00 0.00 43.02 41.73 3glw s PHE 86 CO -0.05 -0.53 0.19 0.21 -1.34 0.00 0.00 175.22 173.71 3glw s LYS 87 N -2.87 4.17 -0.34 1.99 2.20 -0.74 -0.48 119.74 123.67 3glw s LYS 87 Ca -0.03 -0.14 0.01 0.00 -0.36 0.00 0.00 55.97 55.45 3glw s LYS 87 Cb 0.00 -3.47 0.10 0.00 -1.51 0.00 0.00 37.83 32.96 3glw s LYS 87 CO -0.05 0.19 0.10 0.45 -0.36 0.00 0.00 175.35 175.68 3glw s SER 88 N 0.65 4.23 0.00 1.43 0.15 -0.89 -0.96 113.70 118.30 3glw s SER 88 Ca 0.10 -1.95 0.31 0.00 0.70 0.00 0.00 55.95 55.11 3glw s SER 88 Cb -0.12 -1.14 1.65 0.00 -1.71 0.00 0.00 66.02 64.69 3glw s SER 88 CO 0.02 -0.38 2.08 0.61 1.20 0.00 0.00 173.24 176.77