#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxw n HIS 3 N 0.00 3.11 0.00 7.33 -0.00 -1.26 -4.67 115.22 119.73 3gxw n HIS 3 Ca 0.00 -2.61 0.00 0.00 -0.00 0.00 0.00 57.72 55.11 3gxw n HIS 3 Cb 0.00 -0.89 0.00 0.00 -0.00 0.00 0.00 29.99 29.10 3gxw n HIS 3 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 3gxw n HIS 5 N -0.46 0.00 0.24 4.41 1.44 -1.26 -1.64 115.22 117.94 3gxw n HIS 5 Ca 0.49 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 56.26 3gxw n HIS 5 Cb 0.35 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.37 3gxw n HIS 5 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3gxw n ARG 6 N 0.00 1.47 0.22 -1.40 1.74 -1.26 -4.55 116.66 112.88 3gxw n ARG 6 Ca 0.00 -0.07 0.06 0.00 -0.77 0.00 0.00 57.85 57.08 3gxw n ARG 6 Cb 0.00 -1.20 0.50 0.00 -1.02 0.00 0.00 32.46 30.73 3gxw n ARG 6 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 3gxw h VAL 7 N 0.00 0.98 0.00 1.55 3.04 -1.70 -2.89 116.25 117.23 3gxw h VAL 7 Ca 0.00 -0.94 0.00 0.00 -1.01 0.00 0.00 66.70 64.75 3gxw h VAL 7 Cb 0.45 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 3gxw h VAL 7 CO 0.00 0.25 0.00 0.16 -1.01 0.00 0.00 177.57 176.97 3gxw h ILE 8 N 0.00 0.00 -0.16 3.17 3.07 -1.87 -1.54 117.51 120.18 3gxw h ILE 8 Ca -0.00 -0.08 0.00 0.00 1.55 0.00 0.00 64.86 66.32 3gxw h ILE 8 Cb 0.52 0.69 0.00 0.00 -0.27 0.00 0.00 36.82 37.76 3gxw h ILE 8 CO 0.03 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 177.72 3gxw n ASN 9 N -2.35 2.79 -4.75 2.16 5.03 -1.09 -4.95 115.26 112.10 3gxw n ASN 9 Ca -0.01 -1.83 -0.41 0.00 0.87 0.00 0.00 54.58 53.21 3gxw n ASN 9 Cb 0.10 -0.10 -0.04 0.00 -1.02 0.00 0.00 39.78 38.72 3gxw n ASN 9 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 3gxw s HIS 10 N -1.40 3.61 0.49 3.10 2.46 -0.58 -4.93 115.29 118.05 3gxw s HIS 10 Ca 0.26 1.66 0.26 0.00 0.47 0.00 0.00 55.06 57.71 3gxw s HIS 10 Cb 0.17 -3.26 1.34 0.00 -0.13 0.00 0.00 32.58 30.69 3gxw s HIS 10 CO 0.24 -0.52 1.88 -1.35 -2.47 0.00 0.00 174.74 172.51 3gxw h PRO 11 N 4.50 0.14 -0.11 2.88 0.11 -1.93 -0.68 132.00 136.91 3gxw h PRO 11 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gxw h PRO 11 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3gxw h PRO 11 CO 0.70 0.10 0.00 0.66 -0.21 0.00 0.00 178.00 179.24 3gxw n TYR 12 N -4.37 0.13 -3.05 0.65 4.02 -1.26 -4.88 117.16 108.41 3gxw n TYR 12 Ca 0.19 -0.07 -0.39 0.00 -0.01 0.00 0.00 57.90 57.62 3gxw n TYR 12 Cb 0.86 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 40.13 3gxw n TYR 12 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 3gxw s TYR 13 N -1.87 3.77 0.01 -0.72 5.04 -0.26 -0.86 117.35 122.45 3gxw s TYR 13 Ca 0.35 1.44 0.03 0.00 -2.44 0.00 0.00 57.07 56.44 3gxw s TYR 13 Cb 0.19 -2.75 -0.01 0.00 0.35 0.00 0.00 41.96 39.75 3gxw s TYR 13 CO 0.30 0.36 -0.09 -0.06 -1.34 0.00 0.00 175.55 174.72 3gxw s PHE 14 N -0.38 0.77 -0.38 4.97 0.08 -0.15 -4.90 117.98 117.99 3gxw s PHE 14 Ca 0.36 -0.22 -0.06 0.00 0.12 0.00 0.00 56.93 57.13 3gxw s PHE 14 Cb -0.21 -0.48 -0.18 0.00 -0.57 0.00 0.00 43.02 41.58 3gxw s PHE 14 CO 0.22 -0.02 3.36 -0.35 -0.10 0.00 0.00 175.22 178.34 3gxw n PRO 15 N 2.54 2.43 -4.22 0.24 -0.04 -1.26 -4.45 135.00 130.24 3gxw n PRO 15 Ca -0.15 -1.47 -0.26 0.00 -0.04 0.00 0.00 63.50 61.58 3gxw n PRO 15 Cb 0.57 -2.17 -0.07 0.00 -0.04 0.00 0.00 33.50 31.78 3gxw n PRO 15 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3gxw s PHE 16 N 0.76 2.83 0.70 0.54 0.08 -1.26 -5.09 117.98 116.54 3gxw s PHE 16 Ca 0.66 -0.15 0.03 0.00 0.12 0.00 0.00 56.93 57.58 3gxw s PHE 16 Cb 0.30 -1.35 0.13 0.00 -0.57 0.00 0.00 43.02 41.53 3gxw s PHE 16 CO -0.04 0.53 0.96 0.54 -0.10 0.00 0.00 175.22 177.11 3gxw s ASN 17 N -3.11 4.44 0.20 1.36 2.20 -1.26 -4.49 114.94 114.28 3gxw s ASN 17 Ca 0.28 -0.60 -0.10 0.00 -0.94 0.00 0.00 52.86 51.50 3gxw s ASN 17 Cb -0.09 0.25 0.24 0.00 -2.00 0.00 0.00 41.25 39.65 3gxw s ASN 17 CO 0.19 -1.81 1.76 1.23 -2.94 0.00 0.00 177.10 175.53 3gxw h GLY 18 N -0.39 0.82 0.96 0.45 0.00 -2.00 -2.01 103.07 100.91 3gxw h GLY 18 Ca -0.33 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 3gxw h GLY 18 CO 0.38 0.03 0.13 1.70 0.00 0.00 0.00 176.54 178.78 3gxw h LYS 19 N 0.45 0.74 -0.34 4.80 3.64 -1.99 -1.43 116.57 122.44 3gxw h LYS 19 Ca 0.28 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3gxw h LYS 19 Cb 0.29 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3gxw h LYS 19 CO -0.25 0.72 0.07 1.96 -2.27 0.00 0.00 179.45 179.68 3gxw h GLN 20 N 0.63 0.50 -0.42 1.90 4.20 -1.88 -0.79 115.11 119.24 3gxw h GLN 20 Ca 0.15 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 3gxw h GLN 20 Cb 0.30 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3gxw h GLN 20 CO -0.00 0.47 -0.05 0.00 -0.67 0.00 0.00 178.83 178.58 3gxw h ALA 21 N 1.60 0.57 -0.76 3.87 0.00 -0.93 -0.72 119.26 122.89 3gxw h ALA 21 Ca 0.11 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3gxw h ALA 21 Cb 0.21 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3gxw h ALA 21 CO -0.00 0.40 0.25 0.93 0.00 0.00 0.00 179.25 180.83 3gxw h GLU 22 N 0.60 1.16 -0.67 0.00 5.08 -0.56 -0.93 114.58 119.27 3gxw h GLU 22 Ca 0.11 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 3gxw h GLU 22 Cb 0.55 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3gxw h GLU 22 CO 0.03 0.98 0.14 -0.44 -1.00 0.00 0.00 179.01 178.71 3gxw h ASP 23 N 1.12 1.03 -0.48 1.42 3.32 -0.96 -1.37 116.42 120.51 3gxw h ASP 23 Ca 0.25 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 3gxw h ASP 23 Cb 0.29 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3gxw h ASP 23 CO -0.01 1.00 0.11 0.22 -1.72 0.00 0.00 179.24 178.84 3gxw h TYR 24 N 1.02 0.80 0.00 4.55 3.20 -0.76 -3.04 116.97 122.74 3gxw h TYR 24 Ca 0.21 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3gxw h TYR 24 Cb 0.40 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.44 3gxw h TYR 24 CO 0.03 0.73 0.00 1.28 -1.64 0.00 0.00 178.16 178.56 3gxw n LEU 25 N -4.48 0.31 -0.27 2.82 4.77 -0.39 -4.08 117.00 115.69 3gxw n LEU 25 Ca 0.01 0.54 0.03 0.00 -0.03 0.00 0.00 56.01 56.55 3gxw n LEU 25 Cb 0.22 -0.45 0.16 0.00 -2.33 0.00 0.00 43.42 41.02 3gxw n LEU 25 CO 0.39 -0.13 1.09 -0.09 -1.33 0.00 0.00 177.39 177.33 3gxw h ARG 26 N 0.00 0.65 -0.01 3.23 2.43 -1.13 -1.44 114.38 118.11 3gxw h ARG 26 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3gxw h ARG 26 Cb 0.54 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3gxw h ARG 26 CO 0.00 0.43 -0.08 -1.13 -1.51 0.00 0.00 179.97 177.68 3gxw n SER 27 N -4.83 1.30 -4.85 -3.80 3.41 -1.26 -4.86 113.62 98.74 3gxw n SER 27 Ca 0.13 -1.28 -0.27 0.00 -0.26 0.00 0.00 58.87 57.18 3gxw n SER 27 Cb 0.29 0.04 0.09 0.00 -0.26 0.00 0.00 64.21 64.37 3gxw n SER 27 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gxw s LYS 28 N -2.17 1.95 0.61 4.33 -0.14 -0.54 -5.06 119.74 118.73 3gxw s LYS 28 Ca 0.34 -0.12 -0.14 0.00 -1.36 0.00 0.00 55.97 54.68 3gxw s LYS 28 Cb 0.20 -2.05 -0.03 0.00 -1.68 0.00 0.00 37.83 34.28 3gxw s LYS 28 CO 0.40 -1.50 1.04 -2.00 -0.76 0.00 0.00 175.35 172.53 3gxw s GLU 29 N -5.45 3.32 0.24 1.68 2.56 -1.26 -4.96 118.70 114.84 3gxw s GLU 29 Ca 0.62 1.05 -0.31 0.00 0.00 0.00 0.00 54.97 56.33 3gxw s GLU 29 Cb -0.10 -2.04 -0.13 0.00 2.00 0.00 0.00 34.13 33.86 3gxw s GLU 29 CO 0.47 -0.80 1.54 -2.13 -0.56 0.00 0.00 175.26 173.78 3gxw n ARG 30 N -2.36 2.36 0.00 4.30 0.63 -1.26 -1.77 116.66 118.56 3gxw n ARG 30 Ca 0.08 0.84 0.00 0.00 -0.92 0.00 0.00 57.85 57.85 3gxw n ARG 30 Cb 0.53 -2.58 0.00 0.00 0.45 0.00 0.00 32.46 30.86 3gxw n ARG 30 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3gxw n GLY 31 N 2.60 1.23 3.75 5.14 0.00 0.45 -4.86 105.19 113.50 3gxw n GLY 31 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 3gxw n GLY 31 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gxw s ASP 32 N -2.67 4.80 0.29 1.61 -1.08 -0.73 -4.59 116.67 114.30 3gxw s ASP 32 Ca 0.00 2.16 -0.15 0.00 -0.52 0.00 0.00 52.55 54.04 3gxw s ASP 32 Cb 0.00 -2.57 0.01 0.00 -1.46 0.00 0.00 42.92 38.90 3gxw s ASP 32 CO 0.00 -1.85 0.60 0.72 0.52 0.00 0.00 175.17 175.16 3gxw s PHE 33 N -2.15 0.22 0.05 -5.34 -0.12 -1.26 -1.56 117.98 107.82 3gxw s PHE 33 Ca 0.70 -0.65 -0.05 0.00 -0.05 0.00 0.00 56.93 56.88 3gxw s PHE 33 Cb -0.24 0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 42.55 3gxw s PHE 33 CO 0.42 -1.17 0.09 0.14 -0.05 0.00 0.00 175.22 174.65 3gxw s VAL 34 N -3.65 0.15 -0.08 -2.49 -7.23 -0.63 -5.00 120.40 101.47 3gxw s VAL 34 Ca 0.19 -1.25 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 3gxw s VAL 34 Cb -0.03 -1.11 -0.03 0.00 0.56 0.00 0.00 36.38 35.77 3gxw s VAL 34 CO 0.10 -0.69 -0.06 -0.63 -0.31 0.00 0.00 175.10 173.51 3gxw s ILE 35 N -3.12 3.77 0.25 -0.62 -1.09 -0.04 -1.88 121.20 118.47 3gxw s ILE 35 Ca -0.01 -0.45 -0.09 0.00 -2.23 0.00 0.00 60.65 57.87 3gxw s ILE 35 Cb 0.02 -2.56 -0.01 0.00 -1.58 0.00 0.00 42.46 38.33 3gxw s ILE 35 CO -0.07 0.59 0.41 0.00 -1.23 0.00 0.00 174.94 174.64 3gxw s ARG 36 N -0.71 1.52 0.80 2.79 1.70 -0.26 -0.97 118.95 123.81 3gxw s ARG 36 Ca 0.11 -1.38 -0.11 0.00 -0.47 0.00 0.00 55.73 53.88 3gxw s ARG 36 Cb -0.11 0.43 0.08 0.00 -0.57 0.00 0.00 34.95 34.77 3gxw s ARG 36 CO 0.02 -0.61 1.11 -0.65 -1.08 0.00 0.00 175.30 174.09 3gxw s GLN 37 N -3.94 1.96 -0.05 3.89 -1.52 -1.26 -0.81 119.66 117.93 3gxw s GLN 37 Ca 0.27 1.30 -0.03 0.00 -1.95 0.00 0.00 55.36 54.94 3gxw s GLN 37 Cb 0.01 -1.85 0.03 0.00 -0.22 0.00 0.00 33.01 30.97 3gxw s GLN 37 CO 0.11 -1.89 0.12 0.45 -0.25 0.00 0.00 175.29 173.83 3gxw s SER 38 N -3.13 -0.08 0.00 5.90 0.15 -1.26 -4.39 113.70 110.89 3gxw s SER 38 Ca 0.63 0.24 0.15 0.00 0.70 0.00 0.00 55.95 57.66 3gxw s SER 38 Cb -0.19 0.16 0.87 0.00 -1.71 0.00 0.00 66.02 65.15 3gxw s SER 38 CO 0.55 -0.11 1.29 -1.54 1.20 0.00 0.00 173.24 174.63 3gxw n SER 39 N 3.88 0.00 0.30 5.45 3.41 -1.26 -2.81 113.62 122.59 3gxw n SER 39 Ca -0.23 -0.47 0.19 0.00 -0.26 0.00 0.00 58.87 58.10 3gxw n SER 39 Cb 0.53 0.00 0.93 0.00 -0.26 0.00 0.00 64.21 65.41 3gxw n SER 39 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3gxw h ARG 40 N 0.00 0.00 0.00 4.33 2.47 -1.95 -3.47 114.38 115.76 3gxw h ARG 40 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3gxw h ARG 40 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3gxw h ARG 40 CO 0.00 0.02 0.00 0.41 0.56 0.00 0.00 179.97 180.96 3gxw n GLY 41 N -0.56 2.61 0.27 0.04 0.00 -1.12 -4.92 105.19 101.51 3gxw n GLY 41 Ca -0.01 -1.10 0.15 0.00 0.00 0.00 0.00 46.02 45.05 3gxw n GLY 41 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gxw h ASP 42 N 0.00 0.00 -0.57 1.61 3.32 -1.91 -2.41 116.42 116.46 3gxw h ASP 42 Ca 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 3gxw h ASP 42 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 3gxw h ASP 42 CO 0.00 0.09 0.18 -0.90 -1.72 0.00 0.00 179.24 176.89 3gxw n ASP 43 N -3.49 3.62 -4.47 6.45 5.68 -1.26 -4.96 116.55 118.12 3gxw n ASP 43 Ca -0.02 -3.46 -0.25 0.00 -0.50 0.00 0.00 54.79 50.57 3gxw n ASP 43 Cb 0.23 -0.69 -0.10 0.00 -1.14 0.00 0.00 41.12 39.42 3gxw n ASP 43 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 3gxw s HIS 44 N -3.12 2.32 0.26 2.11 3.76 -0.91 -1.21 115.29 118.51 3gxw s HIS 44 Ca 0.50 -0.33 -0.01 0.00 -0.15 0.00 0.00 55.06 55.07 3gxw s HIS 44 Cb 0.42 -1.04 -0.03 0.00 1.11 0.00 0.00 32.58 33.04 3gxw s HIS 44 CO 0.07 0.66 0.26 -0.51 -0.85 0.00 0.00 174.74 174.37 3gxw s LEU 45 N -3.30 1.15 0.02 0.89 1.43 -0.41 -4.06 118.68 114.40 3gxw s LEU 45 Ca 0.28 -1.42 0.01 0.00 -1.03 0.00 0.00 54.13 51.97 3gxw s LEU 45 Cb -0.06 0.78 -0.02 0.00 0.03 0.00 0.00 46.19 46.92 3gxw s LEU 45 CO 0.14 -1.00 -0.05 0.00 0.23 0.00 0.00 176.35 175.67 3gxw s ALA 46 N -3.82 0.34 -0.13 4.21 0.00 0.01 -1.09 121.76 121.29 3gxw s ALA 46 Ca 0.36 -0.53 -0.00 0.00 0.00 0.00 0.00 51.96 51.78 3gxw s ALA 46 Cb 0.04 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 3gxw s ALA 46 CO 0.16 -0.04 -0.12 0.42 0.00 0.00 0.00 175.76 176.18 3gxw s ILE 47 N -1.04 3.13 -0.17 0.00 1.01 0.74 -1.11 121.20 123.77 3gxw s ILE 47 Ca -0.09 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 59.94 3gxw s ILE 47 Cb -0.08 -2.32 0.01 0.00 0.01 0.00 0.00 42.46 40.09 3gxw s ILE 47 CO -0.00 0.52 -0.19 -0.89 0.00 0.00 0.00 174.94 174.37 3gxw s THR 48 N 0.35 2.17 0.09 2.92 2.01 -0.79 0.44 115.64 122.82 3gxw s THR 48 Ca -0.10 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.01 3gxw s THR 48 Cb -0.16 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 3gxw s THR 48 CO 0.05 0.54 -0.09 -1.66 -0.69 0.00 0.00 174.62 172.77 3gxw s TRP 49 N 1.12 0.93 -0.30 4.92 1.48 -0.49 -1.61 118.94 125.00 3gxw s TRP 49 Ca 0.01 -0.70 -0.21 0.00 -1.06 0.00 0.00 56.10 54.14 3gxw s TRP 49 Cb -0.14 -0.52 -0.01 0.00 -1.16 0.00 0.00 33.47 31.64 3gxw s TRP 49 CO -0.08 -0.06 0.67 0.21 -4.06 0.00 0.00 176.95 173.63 3gxw s LYS 50 N -2.84 3.95 0.04 3.25 2.20 -0.60 -1.13 119.74 124.60 3gxw s LYS 50 Ca 0.04 0.41 -0.06 0.00 -0.36 0.00 0.00 55.97 56.00 3gxw s LYS 50 Cb -0.02 -3.72 -0.29 0.00 -1.51 0.00 0.00 37.83 32.29 3gxw s LYS 50 CO -0.01 -0.58 0.99 -0.07 -0.36 0.00 0.00 175.35 175.32 3gxw h LEU 51 N 9.20 0.48 0.00 5.43 4.07 -1.15 0.13 115.31 133.47 3gxw h LEU 51 Ca -0.26 -0.57 0.17 0.00 0.08 0.00 0.00 57.88 57.30 3gxw h LEU 51 Cb 1.11 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.67 3gxw h LEU 51 CO 0.82 1.46 0.52 -0.67 -1.08 0.00 0.00 178.44 179.49 3gxw n ASP 52 N -3.53 -1.05 -4.66 -0.43 -0.08 -1.15 -4.75 116.55 100.90 3gxw n ASP 52 Ca -0.13 -1.43 -0.53 0.00 -1.51 0.00 0.00 54.79 51.18 3gxw n ASP 52 Cb 1.05 1.68 -0.06 0.00 2.34 0.00 0.00 41.12 46.13 3gxw n ASP 52 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 3gxw n LYS 53 N -0.58 1.40 -2.39 -0.67 4.81 -1.26 -1.28 118.16 118.20 3gxw n LYS 53 Ca 0.01 0.51 -0.12 0.00 -0.87 0.00 0.00 58.31 57.84 3gxw n LYS 53 Cb 0.41 -2.21 -0.01 0.00 0.02 0.00 0.00 35.03 33.24 3gxw n LYS 53 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3gxw n ASP 54 N 4.45 -3.87 -3.84 3.14 8.00 -1.26 -4.95 116.55 118.22 3gxw n ASP 54 Ca 0.22 0.20 -0.26 0.00 0.71 0.00 0.00 54.79 55.66 3gxw n ASP 54 Cb 0.19 -3.30 -0.17 0.00 -0.02 0.00 0.00 41.12 37.82 3gxw n ASP 54 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3gxw s LEU 55 N -5.53 1.09 0.18 0.64 2.96 -0.40 -5.10 118.68 112.53 3gxw s LEU 55 Ca 0.00 -0.36 0.09 0.00 -0.22 0.00 0.00 54.13 53.63 3gxw s LEU 55 Cb 0.00 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.94 3gxw s LEU 55 CO 0.00 -0.17 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.32 3gxw s PHE 56 N 1.79 1.82 0.01 5.38 0.08 -1.26 -0.53 117.98 125.27 3gxw s PHE 56 Ca 0.04 -0.49 0.06 0.00 0.12 0.00 0.00 56.93 56.66 3gxw s PHE 56 Cb -0.13 -0.88 -0.02 0.00 -0.57 0.00 0.00 43.02 41.42 3gxw s PHE 56 CO -0.07 0.37 -0.18 -0.65 -0.10 0.00 0.00 175.22 174.58 3gxw s GLN 57 N -3.09 1.39 -0.18 0.44 -1.52 -0.29 -4.89 119.66 111.53 3gxw s GLN 57 Ca 0.19 -0.75 -0.00 0.00 -1.95 0.00 0.00 55.36 52.85 3gxw s GLN 57 Cb -0.04 -1.40 0.00 0.00 -0.22 0.00 0.00 33.01 31.35 3gxw s GLN 57 CO 0.07 0.37 -0.14 -1.01 -0.25 0.00 0.00 175.29 174.33 3gxw s HIS 58 N -0.58 2.82 -0.09 0.91 3.76 -1.26 -1.39 115.29 119.46 3gxw s HIS 58 Ca 0.07 -1.21 0.04 0.00 -0.15 0.00 0.00 55.06 53.81 3gxw s HIS 58 Cb -0.08 -1.95 -0.01 0.00 1.11 0.00 0.00 32.58 31.66 3gxw s HIS 58 CO 0.00 -0.60 -0.23 0.08 -0.85 0.00 0.00 174.74 173.15 3gxw s VAL 59 N 1.11 2.22 0.23 -0.90 1.01 0.17 -4.94 120.40 119.31 3gxw s VAL 59 Ca 0.00 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.71 3gxw s VAL 59 Cb -0.14 -1.85 -0.09 0.00 0.00 0.00 0.00 36.38 34.30 3gxw s VAL 59 CO -0.05 0.56 0.96 -0.62 0.00 0.00 0.00 175.10 175.95 3gxw s ASP 60 N 0.15 7.58 -0.12 3.32 2.15 -1.26 -0.19 116.67 128.30 3gxw s ASP 60 Ca -0.12 1.97 0.03 0.00 0.43 0.00 0.00 52.55 54.86 3gxw s ASP 60 Cb -0.16 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.85 3gxw s ASP 60 CO 0.07 0.10 -0.22 -0.63 -0.17 0.00 0.00 175.17 174.31 3gxw s ILE 61 N -1.03 2.13 -0.09 4.11 1.01 -0.25 -4.30 121.20 122.77 3gxw s ILE 61 Ca 0.42 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 60.12 3gxw s ILE 61 Cb -0.26 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.38 3gxw s ILE 61 CO 0.33 0.55 -0.15 -1.58 0.00 0.00 0.00 174.94 174.09 3gxw s GLN 62 N 0.57 2.16 0.56 2.79 0.74 -0.23 -1.28 119.66 124.97 3gxw s GLN 62 Ca -0.13 -0.55 -0.02 0.00 0.05 0.00 0.00 55.36 54.71 3gxw s GLN 62 Cb -0.17 -1.79 0.02 0.00 1.10 0.00 0.00 33.01 32.18 3gxw s GLN 62 CO 0.04 -0.00 0.81 -2.00 -0.55 0.00 0.00 175.29 173.58 3gxw s GLU 63 N 0.81 2.68 0.00 1.67 2.12 -0.35 0.12 118.70 125.76 3gxw s GLU 63 Ca -0.11 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 54.74 3gxw s GLU 63 Cb -0.16 -2.42 0.00 0.00 0.26 0.00 0.00 34.13 31.82 3gxw s GLU 63 CO 0.01 -0.69 0.00 0.41 -0.54 0.00 0.00 175.26 174.46 3gxw n GLY 73 N -2.41 0.00 3.34 -1.50 0.00 -1.26 -4.94 105.19 98.42 3gxw n GLY 73 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3gxw n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gxw s LYS 74 N 0.00 2.72 0.31 1.61 1.02 -1.26 -5.11 119.74 119.03 3gxw s LYS 74 Ca 0.00 -0.81 0.09 0.00 0.02 0.00 0.00 55.97 55.28 3gxw s LYS 74 Cb 0.00 -2.32 -0.05 0.00 -0.52 0.00 0.00 37.83 34.95 3gxw s LYS 74 CO 0.00 0.41 0.02 0.14 -0.92 0.00 0.00 175.35 175.00 3gxw s VAL 75 N -0.19 3.01 -0.17 3.17 -7.23 -1.26 -4.87 120.40 112.85 3gxw s VAL 75 Ca -0.02 -1.91 -0.03 0.00 -1.81 0.00 0.00 61.98 58.21 3gxw s VAL 75 Cb -0.13 -2.83 -0.02 0.00 0.56 0.00 0.00 36.38 33.96 3gxw s VAL 75 CO 0.03 -0.27 -0.06 -0.76 -0.31 0.00 0.00 175.10 173.73 3gxw s LEU 76 N -3.72 2.98 -0.19 1.32 1.43 0.16 -4.36 118.68 116.30 3gxw s LEU 76 Ca 0.34 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 53.09 3gxw s LEU 76 Cb -0.03 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 3gxw s LEU 76 CO 0.20 0.10 0.04 -0.69 0.23 0.00 0.00 176.35 176.22 3gxw s VAL 77 N 0.79 4.48 -0.19 -1.59 1.01 0.12 0.16 120.40 125.18 3gxw s VAL 77 Ca -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 3gxw s VAL 77 Cb -0.15 -3.02 0.06 0.00 0.00 0.00 0.00 36.38 33.27 3gxw s VAL 77 CO 0.02 0.45 0.03 -0.69 0.00 0.00 0.00 175.10 174.90 3gxw s VAL 78 N 0.58 0.56 -1.42 2.92 1.01 0.00 -1.06 120.40 122.98 3gxw s VAL 78 Ca 0.02 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 3gxw s VAL 78 Cb -0.13 -1.03 0.04 0.00 0.00 0.00 0.00 36.38 35.25 3gxw s VAL 78 CO 0.02 -0.17 0.77 -0.62 0.00 0.00 0.00 175.10 175.10 3gxw n GLU 79 N 5.04 -4.88 0.00 2.72 1.02 -1.26 -1.67 120.64 121.61 3gxw n GLU 79 Ca -0.09 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 3gxw n GLU 79 Cb 0.47 -5.21 0.00 0.00 -0.02 0.00 0.00 31.44 26.69 3gxw n GLU 79 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gxw n GLY 80 N -1.66 3.00 3.75 0.62 0.00 -1.26 -5.02 105.19 104.62 3gxw n GLY 80 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 3gxw n GLY 80 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gxw s GLN 81 N -0.33 4.37 -0.21 1.61 -1.52 -0.67 -5.06 119.66 117.86 3gxw s GLN 81 Ca 0.00 0.82 -0.10 0.00 -1.95 0.00 0.00 55.36 54.13 3gxw s GLN 81 Cb 0.00 -3.36 -0.05 0.00 -0.22 0.00 0.00 33.01 29.38 3gxw s GLN 81 CO 0.00 0.30 0.13 1.03 -0.25 0.00 0.00 175.29 176.50 3gxw s ARG 82 N 0.00 4.16 0.06 2.91 0.52 -1.26 -0.82 118.95 124.52 3gxw s ARG 82 Ca 0.33 -0.23 0.08 0.00 -0.52 0.00 0.00 55.73 55.39 3gxw s ARG 82 Cb -0.19 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 31.83 3gxw s ARG 82 CO 0.18 0.26 -0.23 0.71 0.02 0.00 0.00 175.30 176.24 3gxw s TYR 83 N 0.47 2.03 -0.28 -0.53 2.02 0.12 -4.95 117.35 116.24 3gxw s TYR 83 Ca 0.08 -0.39 0.22 0.00 -0.37 0.00 0.00 57.07 56.61 3gxw s TYR 83 Cb -0.11 -1.19 -0.13 0.00 -0.40 0.00 0.00 41.96 40.12 3gxw s TYR 83 CO -0.01 0.13 0.81 0.72 -1.57 0.00 0.00 175.55 175.64 3gxw n HIS 84 N 1.68 0.38 -3.88 2.71 8.25 -1.26 0.36 115.22 123.45 3gxw n HIS 84 Ca -0.17 0.11 -0.11 0.00 -0.26 0.00 0.00 57.72 57.29 3gxw n HIS 84 Cb 0.53 -0.61 -0.12 0.00 1.12 0.00 0.00 29.99 30.91 3gxw n HIS 84 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3gxw s ASP 85 N -4.58 0.03 0.27 0.41 -1.08 -1.26 -4.82 116.67 105.63 3gxw s ASP 85 Ca -0.02 -0.10 -0.01 0.00 -0.52 0.00 0.00 52.55 51.89 3gxw s ASP 85 Cb 0.13 0.17 0.47 0.00 -1.46 0.00 0.00 42.92 42.22 3gxw s ASP 85 CO 0.84 -0.19 1.84 0.25 0.52 0.00 0.00 175.17 178.43 3gxw h LEU 86 N 5.18 0.91 -1.70 -1.34 5.85 -1.98 -1.51 115.31 120.72 3gxw h LEU 86 Ca -0.28 0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.59 3gxw h LEU 86 Cb 1.20 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 3gxw h LEU 86 CO 0.43 0.52 0.41 0.44 -0.34 0.00 0.00 178.44 179.91 3gxw h ASP 87 N 1.01 0.30 -0.62 1.25 3.32 -1.99 0.44 116.42 120.13 3gxw h ASP 87 Ca 0.45 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.49 3gxw h ASP 87 Cb 0.36 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 3gxw h ASP 87 CO -0.23 0.17 0.30 1.56 -1.72 0.00 0.00 179.24 179.32 3gxw h GLN 88 N 0.33 0.92 -0.35 3.56 4.20 -1.69 0.74 115.11 122.81 3gxw h GLN 88 Ca 0.29 -0.13 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 3gxw h GLN 88 Cb 0.69 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 3gxw h GLN 88 CO -0.07 0.72 -0.13 0.82 -0.67 0.00 0.00 178.83 179.50 3gxw h ILE 89 N 0.91 1.28 -0.71 2.54 2.04 -0.98 -1.36 117.51 121.23 3gxw h ILE 89 Ca 0.22 -1.22 0.02 0.00 1.00 0.00 0.00 64.86 64.88 3gxw h ILE 89 Cb 0.11 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 3gxw h ILE 89 CO -0.03 0.40 0.46 0.40 0.00 0.00 0.00 178.15 179.39 3gxw h ILE 90 N 0.49 1.15 -0.78 -0.67 1.08 -0.76 -1.56 117.51 116.46 3gxw h ILE 90 Ca 0.08 -0.32 0.01 0.00 -0.39 0.00 0.00 64.86 64.24 3gxw h ILE 90 Cb 0.65 0.14 -0.04 0.00 -3.07 0.00 0.00 36.82 34.50 3gxw h ILE 90 CO 0.04 0.17 0.51 0.58 -0.69 0.00 0.00 178.15 178.77 3gxw h VAL 91 N 0.93 1.20 -0.23 1.67 2.07 -0.63 -1.30 116.25 119.97 3gxw h VAL 91 Ca 0.27 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.43 3gxw h VAL 91 Cb -0.07 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 3gxw h VAL 91 CO -0.08 0.19 0.13 -0.33 0.02 0.00 0.00 177.57 177.51 3gxw h GLU 92 N 1.05 0.27 0.00 1.57 4.39 -0.33 -0.20 114.58 121.33 3gxw h GLU 92 Ca 0.28 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.90 3gxw h GLU 92 Cb -0.12 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 3gxw h GLU 92 CO -0.06 0.18 -0.32 1.88 -1.16 0.00 0.00 179.01 179.52 3gxw h TYR 93 N 0.28 0.00 -0.12 4.33 0.05 -1.12 -1.61 116.97 118.78 3gxw h TYR 93 Ca 0.09 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.69 3gxw h TYR 93 Cb -0.00 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.74 3gxw h TYR 93 CO -0.08 0.32 -0.62 -0.07 -1.05 0.00 0.00 178.16 176.67 3gxw h LEU 94 N 0.00 0.75 -0.65 3.88 3.38 -0.95 -1.60 115.31 120.11 3gxw h LEU 94 Ca -0.00 -0.64 0.04 0.00 0.09 0.00 0.00 57.88 57.36 3gxw h LEU 94 Cb 0.92 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 3gxw h LEU 94 CO 0.04 1.27 0.39 1.56 0.09 0.00 0.00 178.44 181.80 3gxw h GLN 95 N 0.28 0.74 -0.88 1.13 1.08 -0.84 0.11 115.11 116.72 3gxw h GLN 95 Ca -0.04 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 3gxw h GLN 95 Cb 1.26 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 28.48 3gxw h GLN 95 CO 0.13 0.49 0.54 -0.97 -0.95 0.00 0.00 178.83 178.07 3gxw h ASN 96 N 0.76 1.06 -0.58 1.46 -1.24 -1.24 -1.68 115.58 114.12 3gxw h ASN 96 Ca 0.27 -0.06 -0.08 0.00 0.71 0.00 0.00 56.30 57.13 3gxw h ASN 96 Cb 0.06 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.82 3gxw h ASN 96 CO -0.12 0.81 0.05 0.50 -1.29 0.00 0.00 177.43 177.38 3gxw h LYS 97 N 1.21 1.02 -0.34 6.67 3.64 -0.23 -2.79 116.57 125.75 3gxw h LYS 97 Ca 0.32 -0.29 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 3gxw h LYS 97 Cb -0.06 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 3gxw h LYS 97 CO -0.06 0.97 0.06 0.82 -2.27 0.00 0.00 179.45 178.97 3gxw h ILE 98 N 0.95 1.23 -0.13 2.00 2.04 -0.38 -2.90 117.51 120.33 3gxw h ILE 98 Ca 0.18 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 3gxw h ILE 98 Cb 0.48 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3gxw h ILE 98 CO 0.02 0.27 0.05 0.03 0.00 0.00 0.00 178.15 178.52 3gxw h ARG 99 N 0.40 0.18 0.00 2.37 3.08 -1.20 -1.76 114.38 117.45 3gxw h ARG 99 Ca 0.10 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3gxw h ARG 99 Cb 0.33 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3gxw h ARG 99 CO 0.00 0.15 0.00 1.28 -1.07 0.00 0.00 179.97 180.34 3gxw n LEU 100 N -4.48 0.00 -4.75 3.04 4.77 -1.07 -4.82 117.00 109.70 3gxw n LEU 100 Ca -0.01 0.03 -0.41 0.00 -0.03 0.00 0.00 56.01 55.59 3gxw n LEU 100 Cb 0.11 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3gxw n LEU 100 CO 0.35 -0.00 0.98 -0.76 -1.33 0.00 0.00 177.39 176.62 3gxw s LEU 101 N -2.06 4.43 0.00 2.23 1.43 -0.66 -5.03 118.68 119.01 3gxw s LEU 101 Ca 0.40 2.48 0.00 0.00 -1.03 0.00 0.00 54.13 55.98 3gxw s LEU 101 Cb 0.19 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.79 3gxw s LEU 101 CO 0.33 -0.51 0.00 -3.20 0.23 0.00 0.00 176.35 173.20