#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 3.19 0.00 1.43 -0.00 -1.26 -4.70 115.22 113.88 3gxw n HIS 3 Ca 0.00 -2.99 0.00 0.00 -0.00 0.00 0.00 57.72 54.73 3gxw n HIS 3 Cb 0.00 -2.47 0.00 0.00 -0.00 0.00 0.00 29.99 27.52 3gxw n HIS 3 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3gxw n HIS 5 N 5.18 0.00 -0.32 -1.40 8.25 -1.26 -4.77 115.22 120.89 3gxw n HIS 5 Ca 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 58.04 3gxw n HIS 5 Cb 0.35 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.46 3gxw n HIS 5 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3gxw n ARG 6 N 0.00 0.95 0.18 -0.41 1.74 -1.26 -3.72 116.66 114.15 3gxw n ARG 6 Ca 0.00 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.18 3gxw n ARG 6 Cb 0.00 -1.02 0.11 0.00 -1.02 0.00 0.00 32.46 30.53 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 0.94 0.16 0.00 1.55 3.04 -1.98 -3.15 116.25 116.81 3gxw h VAL 7 Ca 0.00 -1.23 0.00 0.00 -1.01 0.00 0.00 66.70 64.46 3gxw h VAL 7 Cb 0.95 1.99 0.00 0.00 -2.01 0.00 0.00 31.29 32.23 3gxw h VAL 7 CO 0.00 0.09 0.01 0.40 -1.01 0.00 0.00 177.57 177.06 3gxw h ILE 8 N 0.00 0.00 -0.21 3.17 1.08 -1.98 0.10 117.51 119.67 3gxw h ILE 8 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 3gxw h ILE 8 Cb 1.08 0.81 0.00 0.00 -3.07 0.00 0.00 36.82 35.64 3gxw h ILE 8 CO 0.01 0.00 0.00 0.59 -0.69 0.00 0.00 178.15 178.06 3gxw n ASN 9 N -2.78 2.64 -4.75 1.72 3.02 -1.19 -4.98 115.26 108.94 3gxw n ASN 9 Ca -0.02 -1.78 -0.40 0.00 -0.03 0.00 0.00 54.58 52.34 3gxw n ASN 9 Cb 0.07 -0.13 -0.05 0.00 -0.61 0.00 0.00 39.78 39.06 3gxw n ASN 9 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3gxw s HIS 10 N -1.10 3.69 0.57 3.10 2.46 0.35 -4.94 115.29 119.41 3gxw s HIS 10 Ca 0.22 1.73 0.26 0.00 0.47 0.00 0.00 55.06 57.75 3gxw s HIS 10 Cb 0.13 -3.20 1.55 0.00 -0.13 0.00 0.00 32.58 30.94 3gxw s HIS 10 CO 0.19 -0.28 2.08 -1.35 -2.47 0.00 0.00 174.74 172.91 3gxw h PRO 11 N 4.27 0.00 -0.27 2.88 0.11 -1.94 -1.56 132.00 135.48 3gxw h PRO 11 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gxw h PRO 11 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3gxw h PRO 11 CO 0.69 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.14 3gxw n TYR 12 N -4.01 0.34 -3.00 0.65 4.02 -1.26 -4.91 117.16 108.99 3gxw n TYR 12 Ca 0.03 -0.17 -0.40 0.00 -0.01 0.00 0.00 57.90 57.35 3gxw n TYR 12 Cb 0.36 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.64 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 -1.66 3.58 0.02 -0.72 5.04 -0.59 -0.38 117.35 122.64 3gxw s TYR 13 Ca 0.35 1.30 0.05 0.00 -2.44 0.00 0.00 57.07 56.33 3gxw s TYR 13 Cb 0.21 -2.85 -0.02 0.00 0.35 0.00 0.00 41.96 39.65 3gxw s TYR 13 CO 0.30 0.06 -0.14 -0.06 -1.34 0.00 0.00 175.55 174.37 3gxw s PHE 14 N 0.89 1.23 0.00 4.97 0.08 -0.52 -4.91 117.98 119.72 3gxw s PHE 14 Ca 0.39 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 57.13 3gxw s PHE 14 Cb -0.18 -0.75 0.00 0.00 -0.57 0.00 0.00 43.02 41.52 3gxw s PHE 14 CO 0.19 0.02 1.70 -0.35 -0.10 0.00 0.00 175.22 176.68 3gxw n PRO 15 N 2.18 0.95 -3.83 0.24 -0.04 -1.26 -4.52 135.00 128.72 3gxw n PRO 15 Ca -0.17 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.05 3gxw n PRO 15 Cb 0.55 -1.02 -0.02 0.00 -0.04 0.00 0.00 33.50 32.96 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 0.08 3.47 0.64 0.54 0.08 -1.26 -5.07 117.98 116.47 3gxw s PHE 16 Ca 0.00 0.14 0.00 0.00 0.12 0.00 0.00 56.93 57.19 3gxw s PHE 16 Cb 0.00 -1.70 0.13 0.00 -0.57 0.00 0.00 43.02 40.88 3gxw s PHE 16 CO 0.00 0.41 0.88 0.27 -0.10 0.00 0.00 175.22 176.68 3gxw n ASN 17 N -1.06 1.24 -0.19 1.36 0.23 -1.26 -4.51 115.26 111.07 3gxw n ASN 17 Ca -0.07 -2.03 -0.06 0.00 -0.53 0.00 0.00 54.58 51.88 3gxw n ASN 17 Cb 0.55 -0.57 0.03 0.00 -2.08 0.00 0.00 39.78 37.72 3gxw n ASN 17 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3gxw h GLY 18 N -0.50 0.79 1.00 4.83 0.00 -2.00 -1.91 103.07 105.27 3gxw h GLY 18 Ca -0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 3gxw h GLY 18 CO 0.32 0.28 0.33 1.70 0.00 0.00 0.00 176.54 179.17 3gxw h LYS 19 N 0.75 0.90 -0.33 4.80 3.64 -2.00 -1.87 116.57 122.46 3gxw h LYS 19 Ca 0.21 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 3gxw h LYS 19 Cb -0.07 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 3gxw h LYS 19 CO -0.05 0.69 -0.12 1.96 -2.27 0.00 0.00 179.45 179.66 3gxw h GLN 20 N 0.87 0.56 -0.56 1.90 4.20 -1.91 -1.37 115.11 118.79 3gxw h GLN 20 Ca 0.22 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 3gxw h GLN 20 Cb 0.07 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3gxw h GLN 20 CO -0.03 0.67 0.17 0.00 -0.67 0.00 0.00 178.83 178.96 3gxw h ALA 21 N 1.36 0.74 -0.35 3.87 0.00 -0.94 0.33 119.26 124.27 3gxw h ALA 21 Ca 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3gxw h ALA 21 Cb 0.51 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3gxw h ALA 21 CO 0.03 0.41 0.18 0.93 0.00 0.00 0.00 179.25 180.80 3gxw h GLU 22 N 0.79 0.50 -0.83 0.00 5.08 -0.85 -1.16 114.58 118.11 3gxw h GLU 22 Ca 0.18 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3gxw h GLU 22 Cb 0.30 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 3gxw h GLU 22 CO -0.00 0.44 0.42 -0.44 -1.00 0.00 0.00 179.01 178.42 3gxw h ASP 23 N 0.44 1.07 -0.63 1.42 3.32 -0.98 -0.25 116.42 120.80 3gxw h ASP 23 Ca 0.12 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3gxw h ASP 23 Cb 0.09 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 3gxw h ASP 23 CO -0.02 0.89 0.30 0.22 -1.72 0.00 0.00 179.24 178.92 3gxw h TYR 24 N 1.17 0.91 0.00 4.55 3.20 -0.64 -2.90 116.97 123.26 3gxw h TYR 24 Ca 0.29 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.11 3gxw h TYR 24 Cb 0.09 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.08 3gxw h TYR 24 CO 0.01 0.69 0.00 -0.07 -1.64 0.00 0.00 178.16 177.15 3gxw h LEU 25 N 0.87 0.00 -0.96 2.82 3.38 -0.79 -3.37 115.31 117.26 3gxw h LEU 25 Ca 0.22 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.44 3gxw h LEU 25 Cb 0.12 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.74 3gxw h LEU 25 CO -0.03 0.00 0.50 -0.09 0.09 0.00 0.00 178.44 178.92 3gxw h ARG 26 N 0.00 0.42 -0.01 1.13 2.43 -0.83 0.77 114.38 118.29 3gxw h ARG 26 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3gxw h ARG 26 Cb 0.74 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 3gxw h ARG 26 CO 0.00 0.28 -0.19 -1.13 -1.51 0.00 0.00 179.97 177.42 3gxw n SER 27 N -5.00 1.40 -4.43 -3.80 3.41 -1.26 -4.82 113.62 99.13 3gxw n SER 27 Ca 0.26 -1.21 -0.28 0.00 -0.26 0.00 0.00 58.87 57.38 3gxw n SER 27 Cb 0.78 0.12 0.15 0.00 -0.26 0.00 0.00 64.21 65.00 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 -2.32 1.19 0.48 4.33 -0.14 0.26 -5.06 119.74 118.48 3gxw s LYS 28 Ca 0.28 -0.42 -0.19 0.00 -1.36 0.00 0.00 55.97 54.28 3gxw s LYS 28 Cb 0.20 -1.97 -0.09 0.00 -1.68 0.00 0.00 37.83 34.28 3gxw s LYS 28 CO 0.46 -2.00 0.98 -1.21 -0.76 0.00 0.00 175.35 172.82 3gxw s GLU 29 N -5.65 4.00 0.34 1.68 0.41 -1.26 -4.97 118.70 113.24 3gxw s GLU 29 Ca 0.69 1.11 -0.28 0.00 -0.41 0.00 0.00 54.97 56.09 3gxw s GLU 29 Cb -0.06 -2.14 -0.12 0.00 -1.78 0.00 0.00 34.13 30.03 3gxw s GLU 29 CO 0.50 -0.23 1.27 0.54 -0.49 0.00 0.00 175.26 176.85 3gxw n ARG 30 N -1.10 2.07 0.00 1.61 1.74 -1.26 -1.63 116.66 118.10 3gxw n ARG 30 Ca 0.07 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.88 3gxw n ARG 30 Cb 0.54 -2.30 0.00 0.00 -1.02 0.00 0.00 32.46 29.68 3gxw n ARG 30 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gxw n GLY 31 N 0.83 3.24 3.71 -0.13 0.00 0.47 -4.84 105.19 108.47 3gxw n GLY 31 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.43 3.89 0.24 1.61 -1.08 -0.64 -4.49 116.67 115.77 3gxw s ASP 32 Ca 0.00 2.43 -0.16 0.00 -0.52 0.00 0.00 52.55 54.30 3gxw s ASP 32 Cb 0.00 -2.60 0.01 0.00 -1.46 0.00 0.00 42.92 38.87 3gxw s ASP 32 CO 0.00 -2.47 0.56 0.72 0.52 0.00 0.00 175.17 174.50 3gxw s PHE 33 N -1.94 0.07 0.03 -5.34 -0.12 -1.26 -1.60 117.98 107.82 3gxw s PHE 33 Ca 0.76 -0.46 -0.01 0.00 -0.05 0.00 0.00 56.93 57.16 3gxw s PHE 33 Cb -0.31 0.39 -0.02 0.00 -0.63 0.00 0.00 43.02 42.45 3gxw s PHE 33 CO 0.47 -1.04 -0.01 0.14 -0.05 0.00 0.00 175.22 174.74 3gxw s VAL 34 N -3.95 0.15 -0.06 -2.49 -7.23 -0.60 -5.00 120.40 101.22 3gxw s VAL 34 Ca 0.16 -1.21 -0.01 0.00 -1.81 0.00 0.00 61.98 59.10 3gxw s VAL 34 Cb -0.02 -0.76 -0.03 0.00 0.56 0.00 0.00 36.38 36.13 3gxw s VAL 34 CO 0.05 -0.67 0.00 -0.63 -0.31 0.00 0.00 175.10 173.55 3gxw s ILE 35 N -2.41 4.27 0.25 -0.62 1.01 0.49 -1.79 121.20 122.40 3gxw s ILE 35 Ca -0.07 -0.37 -0.08 0.00 0.00 0.00 0.00 60.65 60.13 3gxw s ILE 35 Cb -0.03 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.59 3gxw s ILE 35 CO -0.04 0.52 0.37 0.00 0.00 0.00 0.00 174.94 175.79 3gxw s ARG 36 N -1.13 1.49 0.82 2.79 1.70 0.59 -1.44 118.95 123.77 3gxw s ARG 36 Ca 0.16 -1.44 -0.11 0.00 -0.47 0.00 0.00 55.73 53.87 3gxw s ARG 36 Cb -0.11 0.41 0.09 0.00 -0.57 0.00 0.00 34.95 34.76 3gxw s ARG 36 CO 0.05 -0.59 1.09 -0.65 -1.08 0.00 0.00 175.30 174.13 3gxw s GLN 37 N -3.93 1.86 -0.02 3.89 -1.52 -1.26 -0.39 119.66 118.28 3gxw s GLN 37 Ca 0.29 0.90 -0.01 0.00 -1.95 0.00 0.00 55.36 54.58 3gxw s GLN 37 Cb 0.02 -1.87 0.02 0.00 -0.22 0.00 0.00 33.01 30.95 3gxw s GLN 37 CO 0.12 -1.84 0.06 0.45 -0.25 0.00 0.00 175.29 173.82 3gxw s SER 38 N -3.54 -0.03 0.00 5.90 0.15 -1.26 -4.32 113.70 110.60 3gxw s SER 38 Ca 0.62 0.11 0.13 0.00 0.70 0.00 0.00 55.95 57.51 3gxw s SER 38 Cb -0.17 0.07 0.79 0.00 -1.71 0.00 0.00 66.02 65.00 3gxw s SER 38 CO 0.56 -0.06 1.22 -1.54 1.20 0.00 0.00 173.24 174.61 3gxw n SER 39 N 3.50 0.00 0.19 5.45 3.41 -1.26 -2.81 113.62 122.11 3gxw n SER 39 Ca -0.18 -0.40 0.14 0.00 -0.26 0.00 0.00 58.87 58.17 3gxw n SER 39 Cb 0.56 -0.01 0.56 0.00 -0.26 0.00 0.00 64.21 65.07 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 3.08 -1.95 -3.48 114.38 116.37 3gxw h ARG 40 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gxw h ARG 40 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3gxw h ARG 40 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3gxw n GLY 41 N 0.10 2.79 0.28 0.04 0.00 -1.12 -4.88 105.19 102.41 3gxw n GLY 41 Ca 0.02 -1.42 0.17 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.66 1.61 3.32 -1.93 -2.32 116.42 116.45 3gxw h ASP 42 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 3gxw h ASP 42 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 3gxw h ASP 42 CO 0.00 0.03 0.12 -0.90 -1.72 0.00 0.00 179.24 176.77 3gxw n ASP 43 N -3.16 5.40 -4.35 6.45 3.85 -1.26 -4.93 116.55 118.55 3gxw n ASP 43 Ca -0.00 -3.06 -0.21 0.00 -0.71 0.00 0.00 54.79 50.81 3gxw n ASP 43 Cb 0.28 -0.72 -0.11 0.00 -1.35 0.00 0.00 41.12 39.23 3gxw n ASP 43 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.20 175.19 3gxw s HIS 44 N -2.87 1.85 0.16 2.11 3.76 -0.87 -0.55 115.29 118.88 3gxw s HIS 44 Ca 0.55 -0.48 -0.06 0.00 -0.15 0.00 0.00 55.06 54.92 3gxw s HIS 44 Cb 0.43 -0.89 -0.02 0.00 1.11 0.00 0.00 32.58 33.21 3gxw s HIS 44 CO 0.15 0.39 0.21 -0.51 -0.85 0.00 0.00 174.74 174.13 3gxw s LEU 45 N -2.97 1.21 0.05 0.89 1.43 -0.73 -4.22 118.68 114.33 3gxw s LEU 45 Ca 0.20 -1.01 0.05 0.00 -1.03 0.00 0.00 54.13 52.33 3gxw s LEU 45 Cb -0.04 0.87 -0.02 0.00 0.03 0.00 0.00 46.19 47.03 3gxw s LEU 45 CO 0.08 -0.85 -0.15 0.00 0.23 0.00 0.00 176.35 175.66 3gxw s ALA 46 N -4.01 1.25 -0.06 4.21 0.00 0.47 -1.39 121.76 122.24 3gxw s ALA 46 Ca 0.21 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.32 3gxw s ALA 46 Cb 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 3gxw s ALA 46 CO 0.02 0.23 -0.19 0.42 0.00 0.00 0.00 175.76 176.24 3gxw s ILE 47 N -0.93 2.60 -0.09 0.00 -1.09 0.40 -0.30 121.20 121.79 3gxw s ILE 47 Ca 0.02 -0.88 0.02 0.00 -2.23 0.00 0.00 60.65 57.58 3gxw s ILE 47 Cb -0.08 -2.00 0.01 0.00 -1.58 0.00 0.00 42.46 38.81 3gxw s ILE 47 CO 0.02 0.57 -0.15 -0.89 -1.23 0.00 0.00 174.94 173.26 3gxw s THR 48 N -0.35 1.44 0.09 2.92 2.01 -0.74 0.32 115.64 121.33 3gxw s THR 48 Ca 0.03 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.43 3gxw s THR 48 Cb -0.12 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 3gxw s THR 48 CO 0.02 0.43 -0.09 -1.66 -0.69 0.00 0.00 174.62 172.63 3gxw s TRP 49 N 0.83 0.97 -0.29 4.92 1.48 -0.52 -1.56 118.94 124.77 3gxw s TRP 49 Ca -0.10 -0.73 -0.23 0.00 -1.06 0.00 0.00 56.10 53.98 3gxw s TRP 49 Cb -0.15 -0.54 -0.00 0.00 -1.16 0.00 0.00 33.47 31.61 3gxw s TRP 49 CO 0.01 -0.05 0.75 0.21 -4.06 0.00 0.00 176.95 173.81 3gxw s LYS 50 N -3.06 4.01 -0.02 3.25 2.20 -0.63 -1.41 119.74 124.08 3gxw s LYS 50 Ca 0.06 0.60 -0.01 0.00 -0.36 0.00 0.00 55.97 56.27 3gxw s LYS 50 Cb -0.01 -3.70 -0.26 0.00 -1.51 0.00 0.00 37.83 32.34 3gxw s LYS 50 CO -0.01 -0.60 0.76 1.25 -0.36 0.00 0.00 175.35 176.38 3gxw h LEU 51 N 9.30 0.32 0.00 5.43 5.85 -1.28 0.13 115.31 135.07 3gxw h LEU 51 Ca -0.25 -0.50 0.14 0.00 0.84 0.00 0.00 57.88 58.11 3gxw h LEU 51 Cb 1.10 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 3gxw h LEU 51 CO 0.86 1.43 0.44 -0.67 -0.34 0.00 0.00 178.44 180.15 3gxw n ASP 52 N -3.39 -0.93 -4.67 1.25 2.03 -1.03 -4.82 116.55 104.99 3gxw n ASP 52 Ca -0.18 -1.40 -0.44 0.00 0.52 0.00 0.00 54.79 53.29 3gxw n ASP 52 Cb 1.04 1.49 -0.04 0.00 -0.72 0.00 0.00 41.12 42.90 3gxw n ASP 52 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3gxw n LYS 53 N -0.49 2.59 -1.76 -0.67 4.81 -1.26 -1.33 118.16 120.05 3gxw n LYS 53 Ca 0.00 0.95 -0.20 0.00 -0.87 0.00 0.00 58.31 58.19 3gxw n LYS 53 Cb 0.35 -2.85 -0.07 0.00 0.02 0.00 0.00 35.03 32.49 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 6.64 -5.50 -3.96 3.14 8.00 -1.26 -4.97 116.55 118.63 3gxw n ASP 54 Ca 0.20 0.38 -0.28 0.00 0.71 0.00 0.00 54.79 55.81 3gxw n ASP 54 Cb 0.36 -4.72 -0.17 0.00 -0.02 0.00 0.00 41.12 36.57 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 -4.86 1.42 0.06 0.64 2.96 -0.44 -5.10 118.68 113.36 3gxw s LEU 55 Ca 0.00 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 53.58 3gxw s LEU 55 Cb 0.00 -0.97 -0.03 0.00 0.50 0.00 0.00 46.19 45.69 3gxw s LEU 55 CO 0.00 -0.08 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.47 3gxw s PHE 56 N 1.50 1.03 -0.06 5.38 0.08 -1.26 -0.73 117.98 123.92 3gxw s PHE 56 Ca 0.03 -0.48 0.05 0.00 0.12 0.00 0.00 56.93 56.65 3gxw s PHE 56 Cb -0.13 -0.59 -0.02 0.00 -0.57 0.00 0.00 43.02 41.72 3gxw s PHE 56 CO -0.08 0.01 -0.21 -0.65 -0.10 0.00 0.00 175.22 174.19 3gxw s GLN 57 N -1.70 2.55 -0.20 0.44 -1.52 -0.50 -4.91 119.66 113.82 3gxw s GLN 57 Ca -0.05 -0.84 -0.03 0.00 -1.95 0.00 0.00 55.36 52.50 3gxw s GLN 57 Cb -0.10 -2.24 -0.01 0.00 -0.22 0.00 0.00 33.01 30.44 3gxw s GLN 57 CO 0.02 0.45 -0.07 -1.01 -0.25 0.00 0.00 175.29 174.43 3gxw s HIS 58 N -0.33 2.92 0.00 0.91 3.76 -1.26 -1.44 115.29 119.85 3gxw s HIS 58 Ca 0.02 -0.95 0.07 0.00 -0.15 0.00 0.00 55.06 54.05 3gxw s HIS 58 Cb -0.13 -2.04 -0.03 0.00 1.11 0.00 0.00 32.58 31.50 3gxw s HIS 58 CO 0.02 -0.50 -0.22 0.08 -0.85 0.00 0.00 174.74 173.27 3gxw s VAL 59 N 1.24 2.45 0.00 -0.90 1.01 0.15 -4.95 120.40 119.40 3gxw s VAL 59 Ca 0.03 -1.12 -0.13 0.00 0.00 0.00 0.00 61.98 60.76 3gxw s VAL 59 Cb -0.14 -1.94 -0.06 0.00 0.00 0.00 0.00 36.38 34.24 3gxw s VAL 59 CO -0.03 0.47 0.38 -0.62 0.00 0.00 0.00 175.10 175.31 3gxw s ASP 60 N -0.98 6.73 -0.14 3.32 2.15 -1.26 -0.45 116.67 126.04 3gxw s ASP 60 Ca 0.12 0.88 0.02 0.00 0.43 0.00 0.00 52.55 54.00 3gxw s ASP 60 Cb -0.10 -2.22 0.01 0.00 -0.30 0.00 0.00 42.92 40.31 3gxw s ASP 60 CO 0.01 0.30 -0.19 -0.63 -0.17 0.00 0.00 175.17 174.50 3gxw s ILE 61 N -1.14 1.86 -0.08 4.11 1.01 -0.48 -4.41 121.20 122.07 3gxw s ILE 61 Ca 0.25 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 60.10 3gxw s ILE 61 Cb -0.16 -1.67 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 3gxw s ILE 61 CO 0.13 0.51 -0.22 -1.58 0.00 0.00 0.00 174.94 173.78 3gxw s GLN 62 N 1.04 2.85 0.25 2.79 0.74 -0.75 -1.77 119.66 124.80 3gxw s GLN 62 Ca -0.03 -0.84 0.07 0.00 0.05 0.00 0.00 55.36 54.60 3gxw s GLN 62 Cb -0.15 -2.30 -0.03 0.00 1.10 0.00 0.00 33.01 31.63 3gxw s GLN 62 CO -0.05 0.31 0.23 -2.00 -0.55 0.00 0.00 175.29 173.23 3gxw s GLU 63 N 0.04 3.03 -0.09 1.67 2.12 0.29 -0.71 118.70 125.05 3gxw s GLU 63 Ca -0.09 -1.00 -0.12 0.00 0.36 0.00 0.00 54.97 54.12 3gxw s GLU 63 Cb -0.15 -2.63 -0.05 0.00 0.26 0.00 0.00 34.13 31.56 3gxw s GLU 63 CO 0.05 0.40 0.29 -2.00 -0.54 0.00 0.00 175.26 173.46 3gxw s GLU 65 N -3.88 3.89 0.17 4.30 2.56 -1.26 -4.86 118.70 119.61 3gxw s GLU 65 Ca 0.33 0.15 -0.34 0.00 0.00 0.00 0.00 54.97 55.11 3gxw s GLU 65 Cb -0.08 -3.28 -0.14 0.00 2.00 0.00 0.00 34.13 32.63 3gxw s GLU 65 CO 0.26 0.57 1.45 1.63 -0.56 0.00 0.00 175.26 178.61 3gxw n LYS 66 N 2.44 1.84 0.22 4.30 5.02 -0.77 -4.75 118.16 126.46 3gxw n LYS 66 Ca -0.15 0.66 0.06 0.00 -2.02 0.00 0.00 58.31 56.87 3gxw n LYS 66 Cb 0.53 -2.36 0.50 0.00 -0.02 0.00 0.00 35.03 33.69 3gxw n LYS 66 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3gxw h GLU 67 N 5.02 0.00 -6.50 1.97 3.07 -1.92 -3.43 114.58 112.79 3gxw h GLU 67 Ca -0.45 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 57.88 3gxw h GLU 67 Cb 1.28 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 29.22 3gxw h GLU 67 CO 0.82 0.25 0.98 1.21 -1.40 0.00 0.00 179.01 180.87 3gxw s ASN 68 N -6.68 6.57 0.54 1.42 3.84 -1.26 -4.87 114.94 114.50 3gxw s ASN 68 Ca -0.03 2.56 0.22 0.00 0.21 0.00 0.00 52.86 55.82 3gxw s ASN 68 Cb 0.14 -2.57 1.45 0.00 -0.55 0.00 0.00 41.25 39.71 3gxw s ASN 68 CO 0.67 -0.88 2.12 1.55 -2.79 0.00 0.00 177.10 177.77 3gxw h PRO 69 N 7.93 0.00 0.00 0.43 0.13 -2.02 -2.48 132.00 135.99 3gxw h PRO 69 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3gxw h PRO 69 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3gxw h PRO 69 CO 0.93 0.00 -1.24 1.28 -0.23 0.00 0.00 178.00 178.74 3gxw n LEU 70 N -4.28 0.68 -4.98 1.56 4.32 -1.26 -5.16 117.00 107.88 3gxw n LEU 70 Ca 0.01 -0.29 -0.24 0.00 -0.02 0.00 0.00 56.01 55.46 3gxw n LEU 70 Cb 0.24 -0.02 0.11 0.00 -1.62 0.00 0.00 43.42 42.13 3gxw n LEU 70 CO 0.33 0.15 0.58 0.00 -1.22 0.00 0.00 177.39 177.23 3gxw s ALA 71 N -3.16 3.50 0.00 -1.18 0.00 -0.94 -5.22 121.76 114.76 3gxw s ALA 71 Ca 0.03 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.43 3gxw s ALA 71 Cb 0.15 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 21.12 3gxw s ALA 71 CO 0.86 -1.49 0.00 0.41 0.00 0.00 0.00 175.76 175.54 3gxw n GLY 73 N -2.91 -1.86 3.36 0.00 0.00 -1.26 -4.57 105.19 97.96 3gxw n GLY 73 Ca 0.14 -1.40 -0.19 0.00 0.00 0.00 0.00 46.02 44.57 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 1.54 0.03 1.61 1.02 -1.26 -1.85 119.74 120.84 3gxw s LYS 74 Ca 0.00 -1.86 0.01 0.00 0.02 0.00 0.00 55.97 54.14 3gxw s LYS 74 Cb 0.00 -0.34 -0.02 0.00 -0.52 0.00 0.00 37.83 36.95 3gxw s LYS 74 CO 0.00 -0.34 -0.05 0.54 -0.92 0.00 0.00 175.35 174.58 3gxw s VAL 75 N -3.60 0.34 0.01 3.17 0.11 -1.26 -4.72 120.40 114.45 3gxw s VAL 75 Ca 0.36 -0.93 0.04 0.00 -2.93 0.00 0.00 61.98 58.51 3gxw s VAL 75 Cb 0.07 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.45 3gxw s VAL 75 CO 0.15 -0.39 -0.08 -0.76 -3.33 0.00 0.00 175.10 170.69 3gxw s LEU 76 N -1.41 3.12 -0.07 2.54 1.43 0.14 -4.40 118.68 120.03 3gxw s LEU 76 Ca -0.11 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 3gxw s LEU 76 Cb -0.09 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.35 3gxw s LEU 76 CO -0.00 0.28 -0.12 -0.69 0.23 0.00 0.00 176.35 176.04 3gxw s VAL 77 N -1.00 1.15 -0.21 -1.59 1.01 0.11 0.08 120.40 119.96 3gxw s VAL 77 Ca 0.17 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 3gxw s VAL 77 Cb -0.11 -1.06 0.07 0.00 0.00 0.00 0.00 36.38 35.27 3gxw s VAL 77 CO 0.08 0.36 0.04 -0.69 0.00 0.00 0.00 175.10 174.89 3gxw s VAL 78 N 0.75 0.56 -1.47 2.92 1.01 -0.22 -1.81 120.40 122.13 3gxw s VAL 78 Ca -0.13 -0.67 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 3gxw s VAL 78 Cb -0.16 -1.11 0.06 0.00 0.00 0.00 0.00 36.38 35.17 3gxw s VAL 78 CO 0.03 -0.27 0.75 -0.62 0.00 0.00 0.00 175.10 174.98 3gxw n GLU 79 N 5.03 -4.51 0.00 2.72 1.02 -1.26 -1.78 120.64 121.86 3gxw n GLU 79 Ca -0.08 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 3gxw n GLU 79 Cb 0.46 -5.13 0.00 0.00 -0.02 0.00 0.00 31.44 26.75 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 -1.68 2.88 3.74 0.62 0.00 -1.26 -5.03 105.19 104.46 3gxw n GLY 80 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.03 4.75 -0.08 1.61 -1.52 -0.73 -5.05 119.66 118.61 3gxw s GLN 81 Ca 0.00 1.52 -0.04 0.00 -1.95 0.00 0.00 55.36 54.89 3gxw s GLN 81 Cb 0.00 -3.31 -0.04 0.00 -0.22 0.00 0.00 33.01 29.44 3gxw s GLN 81 CO 0.00 0.32 0.10 1.03 -0.25 0.00 0.00 175.29 176.49 3gxw s ARG 82 N -0.62 3.26 0.02 2.91 0.52 -1.26 -1.06 118.95 122.73 3gxw s ARG 82 Ca 0.45 -0.28 0.01 0.00 -0.52 0.00 0.00 55.73 55.38 3gxw s ARG 82 Cb -0.26 -3.02 -0.02 0.00 0.52 0.00 0.00 34.95 32.17 3gxw s ARG 82 CO 0.32 0.73 -0.04 0.71 0.02 0.00 0.00 175.30 177.03 3gxw s TYR 83 N -1.06 0.37 -1.79 -0.53 2.02 0.11 -4.98 117.35 111.50 3gxw s TYR 83 Ca 0.17 -0.39 0.23 0.00 -0.37 0.00 0.00 57.07 56.72 3gxw s TYR 83 Cb -0.12 -0.24 0.18 0.00 -0.40 0.00 0.00 41.96 41.38 3gxw s TYR 83 CO 0.07 -0.11 1.20 -2.39 -1.57 0.00 0.00 175.55 172.75 3gxw n HIS 84 N 1.93 0.00 -3.70 2.71 1.44 -1.26 0.27 115.22 116.61 3gxw n HIS 84 Ca -0.21 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.37 3gxw n HIS 84 Cb 0.56 -0.04 -0.09 0.00 0.12 0.00 0.00 29.99 30.54 3gxw n HIS 84 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3gxw s ASP 85 N -2.58 -0.49 0.36 4.39 2.15 -1.26 -4.84 116.67 114.40 3gxw s ASP 85 Ca 0.18 0.87 0.10 0.00 0.43 0.00 0.00 52.55 54.13 3gxw s ASP 85 Cb 0.18 0.89 0.85 0.00 -0.30 0.00 0.00 42.92 44.54 3gxw s ASP 85 CO 0.60 -0.24 1.86 0.25 -0.17 0.00 0.00 175.17 177.47 3gxw h LEU 86 N 4.99 0.63 -1.94 -1.34 5.85 -1.92 -1.49 115.31 120.10 3gxw h LEU 86 Ca -0.28 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.57 3gxw h LEU 86 Cb 1.17 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 3gxw h LEU 86 CO 0.23 0.30 0.24 0.44 -0.34 0.00 0.00 178.44 179.32 3gxw h ASP 87 N 0.66 0.07 -0.08 1.25 3.32 -1.98 -1.28 116.42 118.38 3gxw h ASP 87 Ca 0.46 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.41 3gxw h ASP 87 Cb 0.80 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 3gxw h ASP 87 CO -0.22 0.04 -0.26 1.56 -1.72 0.00 0.00 179.24 178.64 3gxw h GLN 88 N 0.08 0.52 -0.30 3.56 4.20 -1.69 -1.13 115.11 120.35 3gxw h GLN 88 Ca 0.16 -0.20 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 3gxw h GLN 88 Cb 0.54 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 3gxw h GLN 88 CO -0.01 0.74 -0.32 0.82 -0.67 0.00 0.00 178.83 179.38 3gxw h ILE 89 N 0.46 1.30 -0.59 2.54 2.04 -1.34 -1.81 117.51 120.10 3gxw h ILE 89 Ca 0.06 -1.50 0.02 0.00 1.00 0.00 0.00 64.86 64.45 3gxw h ILE 89 Cb 0.70 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 3gxw h ILE 89 CO 0.05 0.48 0.37 0.40 0.00 0.00 0.00 178.15 179.46 3gxw h ILE 90 N 0.49 1.10 -0.32 -0.67 1.08 -1.20 -1.25 117.51 116.75 3gxw h ILE 90 Ca 0.04 -0.25 0.03 0.00 -0.39 0.00 0.00 64.86 64.29 3gxw h ILE 90 Cb 0.90 0.29 -0.03 0.00 -3.07 0.00 0.00 36.82 34.91 3gxw h ILE 90 CO 0.08 0.14 0.13 0.58 -0.69 0.00 0.00 178.15 178.39 3gxw h VAL 91 N 0.74 0.94 -0.73 1.67 2.07 -1.08 -0.01 116.25 119.85 3gxw h VAL 91 Ca 0.23 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 3gxw h VAL 91 Cb -0.02 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3gxw h VAL 91 CO -0.08 0.05 0.45 -0.33 0.02 0.00 0.00 177.57 177.68 3gxw h GLU 92 N 0.29 0.97 -0.00 1.57 5.08 -0.65 0.15 114.58 121.98 3gxw h GLU 92 Ca 0.14 -0.08 -0.17 0.00 -1.00 0.00 0.00 59.36 58.26 3gxw h GLU 92 Cb 0.09 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3gxw h GLU 92 CO -0.12 0.68 -0.77 1.88 -1.00 0.00 0.00 179.01 179.67 3gxw h TYR 93 N 0.99 0.09 -0.13 4.33 0.05 -0.78 -1.69 116.97 119.83 3gxw h TYR 93 Ca 0.26 -0.04 -0.14 0.00 0.05 0.00 0.00 58.73 58.85 3gxw h TYR 93 Cb -0.06 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 3gxw h TYR 93 CO 0.00 0.80 -0.54 -0.07 -1.05 0.00 0.00 178.16 177.31 3gxw h LEU 94 N 0.04 0.43 -0.78 3.88 3.38 -0.27 -1.59 115.31 120.40 3gxw h LEU 94 Ca -0.02 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.61 3gxw h LEU 94 Cb 1.35 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3gxw h LEU 94 CO 0.11 0.88 -0.46 1.56 0.09 0.00 0.00 178.44 180.62 3gxw h GLN 95 N 0.30 0.35 -0.35 1.13 4.20 -0.58 -0.48 115.11 119.67 3gxw h GLN 95 Ca 0.01 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 3gxw h GLN 95 Cb 1.04 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 3gxw h GLN 95 CO 0.09 0.74 0.07 -0.97 -0.67 0.00 0.00 178.83 178.09 3gxw h ASN 96 N 0.28 0.55 -0.59 1.46 -1.24 -1.08 -0.87 115.58 114.08 3gxw h ASN 96 Ca 0.02 -0.25 -0.02 0.00 0.71 0.00 0.00 56.30 56.77 3gxw h ASN 96 Cb 0.92 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.80 3gxw h ASN 96 CO 0.08 0.65 0.31 0.50 -1.29 0.00 0.00 177.43 177.68 3gxw h LYS 97 N 0.42 0.84 -0.74 6.67 3.64 -0.97 -0.62 116.57 125.80 3gxw h LYS 97 Ca 0.11 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3gxw h LYS 97 Cb 0.33 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 3gxw h LYS 97 CO 0.00 0.65 0.33 0.82 -2.27 0.00 0.00 179.45 178.98 3gxw h ILE 98 N 0.81 1.25 -0.55 2.00 2.04 -0.91 -2.59 117.51 119.54 3gxw h ILE 98 Ca 0.21 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 3gxw h ILE 98 Cb 0.07 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 3gxw h ILE 98 CO -0.03 0.30 0.29 -0.09 0.00 0.00 0.00 178.15 178.62 3gxw h ARG 99 N 1.05 0.78 0.00 2.37 2.43 -0.70 -2.25 114.38 118.06 3gxw h ARG 99 Ca 0.25 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3gxw h ARG 99 Cb 0.16 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3gxw h ARG 99 CO -0.03 0.61 0.00 1.28 -1.51 0.00 0.00 179.97 180.32 3gxw n LEU 100 N -4.60 0.36 -0.23 3.80 4.77 -0.28 -5.10 117.00 115.71 3gxw n LEU 100 Ca 0.03 0.62 0.15 0.00 -0.03 0.00 0.00 56.01 56.78 3gxw n LEU 100 Cb 0.10 -0.62 0.74 0.00 -2.33 0.00 0.00 43.42 41.31 3gxw n LEU 100 CO 0.37 -0.60 0.99 -0.11 -1.33 0.00 0.00 177.39 176.72