#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g4f n LYS 2 N 0.00 1.36 -2.45 1.09 -0.00 -1.26 -4.94 118.16 111.95 1g4f n LYS 2 Ca 0.00 -3.99 -0.42 0.00 -0.00 0.00 0.00 58.31 53.89 1g4f n LYS 2 Cb 0.00 -1.97 -0.03 0.00 -0.00 0.00 0.00 35.03 33.03 1g4f n LYS 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1g4f s ALA 3 N -1.19 3.53 0.92 0.58 0.00 -1.26 -4.70 121.76 119.64 1g4f s ALA 3 Ca 0.31 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1g4f s ALA 3 Cb 0.04 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1g4f s ALA 3 CO -0.14 -0.85 0.00 -1.13 0.00 0.00 0.00 175.76 173.63 1g4f n SER 4 N 5.51 0.00 -1.54 0.00 3.41 -1.26 -0.17 113.62 119.58 1g4f n SER 4 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1g4f n SER 4 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1g4f n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g4f s LYS 6 N -1.23 0.08 -0.85 0.00 -0.14 -1.26 -3.11 119.74 113.22 1g4f s LYS 6 Ca 0.00 -0.03 -0.21 0.00 -1.36 0.00 0.00 55.97 54.37 1g4f s LYS 6 Cb 0.00 -1.65 -0.22 0.00 -1.68 0.00 0.00 37.83 34.29 1g4f s LYS 6 CO 0.00 -0.62 2.16 1.47 -0.76 0.00 0.00 175.35 177.60 1g4f n LEU 7 N 5.27 -0.21 0.15 3.17 -0.00 -1.26 -4.71 117.00 119.41 1g4f n LEU 7 Ca -0.07 -0.03 0.01 0.00 -0.00 0.00 0.00 56.01 55.92 1g4f n LEU 7 Cb 0.49 -0.68 0.29 0.00 -0.00 0.00 0.00 43.42 43.52 1g4f n LEU 7 CO 0.10 -0.80 0.67 1.55 -0.00 0.00 0.00 177.39 178.91 1g4f h PRO 8 N 9.97 0.07 0.00 1.47 0.14 -1.99 -3.31 132.00 138.35 1g4f h PRO 8 Ca -0.02 -0.03 -0.22 0.00 0.14 0.00 0.00 66.00 65.87 1g4f h PRO 8 Cb 1.07 -0.00 -0.04 0.00 0.14 0.00 0.00 31.00 32.17 1g4f h PRO 8 CO 1.25 0.48 -1.84 0.28 0.14 0.00 0.00 178.00 178.30 1g4f n VAL 9 N -4.04 0.84 -0.96 1.56 0.31 -1.26 -4.99 118.33 109.80 1g4f n VAL 9 Ca -0.02 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1g4f n VAL 9 Cb 0.45 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 1g4f n VAL 9 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1g4f n LYS 10 N -2.54 -0.55 -0.85 5.55 2.85 -1.25 -4.70 118.16 116.67 1g4f n LYS 10 Ca -0.21 0.14 -0.05 0.00 -1.05 0.00 0.00 58.31 57.14 1g4f n LYS 10 Cb 0.88 -3.59 -0.05 0.00 -0.65 0.00 0.00 35.03 31.61 1g4f n LYS 10 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1g4f n LYS 11 N -1.68 0.00 -3.33 -1.58 5.02 -1.26 -4.15 118.16 111.18 1g4f n LYS 11 Ca 0.00 -0.70 -0.38 0.00 -2.02 0.00 0.00 58.31 55.21 1g4f n LYS 11 Cb 0.14 0.35 -0.06 0.00 -0.02 0.00 0.00 35.03 35.44 1g4f n LYS 11 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1g4f s ALA 12 N 0.00 3.57 -0.44 7.82 0.00 -1.26 -4.89 121.76 126.55 1g4f s ALA 12 Ca 0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 51.96 51.76 1g4f s ALA 12 Cb 0.00 -2.59 0.08 0.00 0.00 0.00 0.00 23.12 20.61 1g4f s ALA 12 CO 0.00 0.28 0.32 0.99 0.00 0.00 0.00 175.76 177.35 1g4f s THR 13 N -0.52 4.52 0.48 0.00 2.01 -1.26 -0.13 115.64 120.75 1g4f s THR 13 Ca 0.27 -1.37 0.06 0.00 0.31 0.00 0.00 61.69 60.96 1g4f s THR 13 Cb -0.17 -3.78 0.06 0.00 0.01 0.00 0.00 72.50 68.61 1g4f s THR 13 CO 0.15 -0.58 0.53 1.33 -0.69 0.00 0.00 174.62 175.36 1g4f n VAL 14 N 5.00 0.00 -4.04 3.82 0.24 -0.51 -4.07 118.33 118.77 1g4f n VAL 14 Ca -0.11 -1.74 -0.31 0.00 -2.04 0.00 0.00 64.34 60.15 1g4f n VAL 14 Cb 0.43 -0.36 -0.16 0.00 -1.47 0.00 0.00 33.84 32.28 1g4f n VAL 14 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1g4f s VAL 15 N -2.18 1.69 -0.18 3.34 1.01 -0.46 -2.27 120.40 121.35 1g4f s VAL 15 Ca 0.40 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 1g4f s VAL 15 Cb -0.03 -1.58 -0.08 0.00 0.00 0.00 0.00 36.38 34.68 1g4f s VAL 15 CO 0.25 0.46 3.01 0.00 0.00 0.00 0.00 175.10 178.82 1g4f n TYR 16 N 4.73 0.68 -3.62 5.22 4.19 0.55 -2.41 117.16 126.50 1g4f n TYR 16 Ca -0.18 -1.64 -0.24 0.00 3.31 0.00 0.00 57.90 59.16 1g4f n TYR 16 Cb 0.50 -1.34 0.07 0.00 0.49 0.00 0.00 39.34 39.06 1g4f n TYR 16 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 1g4f n GLN 17 N 1.64 -7.41 0.00 2.98 1.13 -1.26 -3.98 117.38 110.48 1g4f n GLN 17 Ca 0.39 0.80 0.00 0.00 -1.94 0.00 0.00 57.00 56.25 1g4f n GLN 17 Cb 0.72 -5.82 0.00 0.00 0.11 0.00 0.00 30.24 25.25 1g4f n GLN 17 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1g4f n GLY 18 N -1.83 0.65 2.85 1.08 0.00 -1.26 -5.11 105.19 101.57 1g4f n GLY 18 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 1g4f n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g4f s GLU 19 N 0.00 1.15 -0.18 1.61 2.02 -1.26 -5.12 118.70 116.92 1g4f s GLU 19 Ca 0.00 -0.10 -0.13 0.00 0.02 0.00 0.00 54.97 54.75 1g4f s GLU 19 Cb 0.00 -1.33 -0.05 0.00 0.10 0.00 0.00 34.13 32.85 1g4f s GLU 19 CO 0.00 -0.28 0.27 1.03 0.02 0.00 0.00 175.26 176.30 1g4f s ARG 20 N 1.82 4.23 0.28 1.61 0.52 -1.26 -0.33 118.95 125.81 1g4f s ARG 20 Ca 0.05 0.04 -0.19 0.00 -0.52 0.00 0.00 55.73 55.11 1g4f s ARG 20 Cb -0.12 -3.45 0.02 0.00 0.52 0.00 0.00 34.95 31.92 1g4f s ARG 20 CO -0.07 0.19 0.68 0.14 0.02 0.00 0.00 175.30 176.27 1g4f s VAL 21 N 0.61 0.00 -0.21 3.52 -7.23 -0.96 -5.00 120.40 111.13 1g4f s VAL 21 Ca 0.15 -1.08 -0.13 0.00 -1.81 0.00 0.00 61.98 59.11 1g4f s VAL 21 Cb -0.13 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 1g4f s VAL 21 CO 0.04 0.00 0.27 -0.54 -0.31 0.00 0.00 175.10 174.55 1g4f s LYS 22 N -3.81 4.15 0.57 4.82 -0.14 -1.26 -1.43 119.74 122.64 1g4f s LYS 22 Ca 0.13 -0.03 0.28 0.00 -1.36 0.00 0.00 55.97 55.00 1g4f s LYS 22 Cb -0.05 -3.51 1.49 0.00 -1.68 0.00 0.00 37.83 34.08 1g4f s LYS 22 CO 0.08 0.08 1.95 0.97 -0.76 0.00 0.00 175.35 177.67 1g4f h ILE 23 N 4.94 0.48 -0.94 2.17 2.10 -0.87 0.05 117.51 125.44 1g4f h ILE 23 Ca -0.38 0.00 0.27 0.00 1.08 0.00 0.00 64.86 65.83 1g4f h ILE 23 Cb 1.16 0.67 -0.04 0.00 -1.09 0.00 0.00 36.82 37.53 1g4f h ILE 23 CO 0.70 0.00 0.69 0.06 -1.08 0.00 0.00 178.15 178.53 1g4f h GLN 24 N 0.00 0.00 0.00 2.19 3.07 -1.78 -2.07 115.11 116.52 1g4f h GLN 24 Ca 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.93 1g4f h GLN 24 Cb 1.07 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.63 1g4f h GLN 24 CO -0.00 0.00 -0.59 0.39 0.09 0.00 0.00 178.83 178.72 1g4f n GLU 25 N -4.18 0.07 -0.54 0.06 -0.58 -0.08 -3.74 120.64 111.65 1g4f n GLU 25 Ca 0.20 0.03 0.46 0.00 -0.42 0.00 0.00 57.16 57.42 1g4f n GLU 25 Cb 1.02 -0.62 0.79 0.00 -0.57 0.00 0.00 31.44 32.07 1g4f n GLU 25 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1g4f h LYS 26 N -0.12 0.00 -0.65 3.49 1.63 -1.38 -1.16 116.57 118.38 1g4f h LYS 26 Ca -0.04 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.48 1g4f h LYS 26 Cb 0.54 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 31.77 1g4f h LYS 26 CO -0.02 0.00 -1.15 1.19 -3.45 0.00 0.00 179.45 176.02 1g4f n PHE 27 N -4.03 1.20 0.02 1.91 3.72 -0.78 -4.90 117.46 114.60 1g4f n PHE 27 Ca 0.36 -2.39 0.22 0.00 -0.05 0.00 0.00 57.45 55.60 1g4f n PHE 27 Cb 1.69 -0.28 0.72 0.00 -0.94 0.00 0.00 39.48 40.67 1g4f n PHE 27 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1g4f h LYS 28 N 2.76 0.00 -0.89 -1.08 5.09 -1.17 0.50 116.57 121.77 1g4f h LYS 28 Ca -0.13 0.00 -0.46 0.00 0.09 0.00 0.00 60.65 60.15 1g4f h LYS 28 Cb 1.24 0.00 -0.28 0.00 0.10 0.00 0.00 32.23 33.29 1g4f h LYS 28 CO 0.30 0.00 0.53 0.09 -2.09 0.00 0.00 179.45 178.29 1g4f n ASN 29 N -3.82 3.56 0.00 7.07 3.02 -1.26 -4.88 115.26 118.95 1g4f n ASN 29 Ca 0.11 -3.64 0.00 0.00 -0.03 0.00 0.00 54.58 51.01 1g4f n ASN 29 Cb 0.74 -0.81 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1g4f n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g4f n GLY 30 N -1.14 0.20 3.93 7.41 0.00 0.18 -4.82 105.19 110.94 1g4f n GLY 30 Ca 0.56 -1.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 1g4f n GLY 30 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1g4f s MET 31 N -2.62 3.45 0.70 1.61 -1.94 -1.18 -4.63 119.30 114.69 1g4f s MET 31 Ca 0.00 -0.49 -0.15 0.00 -1.71 0.00 0.00 55.69 53.34 1g4f s MET 31 Cb 0.00 -3.00 0.02 0.00 2.01 0.00 0.00 34.83 33.86 1g4f s MET 31 CO 0.00 0.57 1.15 -0.51 -0.01 0.00 0.00 175.02 176.22 1g4f s LEU 32 N -2.81 3.33 0.27 -0.03 1.43 -1.26 0.20 118.68 119.80 1g4f s LEU 32 Ca 0.35 2.15 -0.30 0.00 -1.03 0.00 0.00 54.13 55.31 1g4f s LEU 32 Cb -0.12 -4.57 -0.10 0.00 0.03 0.00 0.00 46.19 41.43 1g4f s LEU 32 CO 0.28 -1.98 1.33 -2.28 0.23 0.00 0.00 176.35 173.94 1g4f s HIS 33 N -2.22 3.13 0.00 0.29 5.65 -1.26 -2.14 115.29 118.74 1g4f s HIS 33 Ca 0.70 1.26 0.00 0.00 0.25 0.00 0.00 55.06 57.27 1g4f s HIS 33 Cb -0.24 -3.68 0.00 0.00 -1.18 0.00 0.00 32.58 27.48 1g4f s HIS 33 CO 0.44 -2.03 0.00 0.41 -0.65 0.00 0.00 174.74 172.91 1g4f n GLY 34 N 1.68 2.51 3.68 1.59 0.00 0.72 -4.93 105.19 110.44 1g4f n GLY 34 Ca 0.04 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.50 1g4f n GLY 34 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1g4f n ASP 35 N 0.00 2.25 -4.54 1.61 9.92 -0.91 -4.25 116.55 120.62 1g4f n ASP 35 Ca 0.00 1.08 -0.36 0.00 -0.53 0.00 0.00 54.79 54.98 1g4f n ASP 35 Cb 0.00 -1.17 -0.11 0.00 -0.64 0.00 0.00 41.12 39.20 1g4f n ASP 35 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1g4f s LYS 36 N 2.67 3.84 0.01 -1.24 -0.14 -1.26 -0.51 119.74 123.12 1g4f s LYS 36 Ca 0.94 -0.39 -0.01 0.00 -1.36 0.00 0.00 55.97 55.15 1g4f s LYS 36 Cb -1.01 -3.40 -0.01 0.00 -1.68 0.00 0.00 37.83 31.72 1g4f s LYS 36 CO 0.59 -0.06 0.00 0.14 -0.76 0.00 0.00 175.35 175.27 1g4f s VAL 37 N 1.31 0.10 0.00 3.17 -7.23 -0.79 -4.64 120.40 112.32 1g4f s VAL 37 Ca 0.06 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.43 1g4f s VAL 37 Cb -0.15 -0.27 -0.04 0.00 0.56 0.00 0.00 36.38 36.49 1g4f s VAL 37 CO 0.05 -0.44 0.06 -0.44 -0.31 0.00 0.00 175.10 174.02 1g4f s SER 38 N -1.33 5.52 -0.12 4.85 0.01 -1.01 0.26 113.70 121.87 1g4f s SER 38 Ca -0.14 0.09 -0.06 0.00 1.31 0.00 0.00 55.95 57.14 1g4f s SER 38 Cb -0.09 -1.54 -0.04 0.00 0.21 0.00 0.00 66.02 64.56 1g4f s SER 38 CO -0.01 0.27 0.11 -0.36 0.41 0.00 0.00 173.24 173.67 1g4f s PHE 39 N -1.18 3.50 0.12 2.43 0.40 -0.85 -1.36 117.98 121.04 1g4f s PHE 39 Ca 0.22 0.45 -0.29 0.00 -0.60 0.00 0.00 56.93 56.71 1g4f s PHE 39 Cb -0.12 -1.94 -0.06 0.00 0.51 0.00 0.00 43.02 41.41 1g4f s PHE 39 CO 0.14 0.65 0.93 -0.06 0.70 0.00 0.00 175.22 177.57 1g4f s PHE 40 N -0.86 3.83 0.34 0.36 0.08 -1.26 -0.10 117.98 120.37 1g4f s PHE 40 Ca 0.14 1.77 0.07 0.00 0.12 0.00 0.00 56.93 59.03 1g4f s PHE 40 Cb -0.12 -3.01 -0.03 0.00 -0.57 0.00 0.00 43.02 39.30 1g4f s PHE 40 CO 0.03 0.26 0.27 0.00 -0.10 0.00 0.00 175.22 175.68 1g4f s LYS 42 N -3.46 1.54 -0.23 0.00 0.00 -1.26 -1.48 119.74 114.86 1g4f s LYS 42 Ca 0.39 -1.27 -0.05 0.00 0.00 0.00 0.00 55.97 55.04 1g4f s LYS 42 Cb 0.02 -1.94 -0.01 0.00 0.00 0.00 0.00 37.83 35.90 1g4f s LYS 42 CO 0.27 0.47 -0.01 1.21 0.00 0.00 0.00 175.35 177.29 1g4f s ASN 43 N -1.85 4.56 0.27 0.03 3.84 0.67 -4.92 114.94 117.55 1g4f s ASN 43 Ca 0.14 -0.33 0.15 0.00 0.21 0.00 0.00 52.86 53.02 1g4f s ASN 43 Cb -0.10 -1.80 0.16 0.00 -0.55 0.00 0.00 41.25 38.96 1g4f s ASN 43 CO 0.05 -0.02 1.48 0.07 -2.79 0.00 0.00 177.10 175.89 1g4f h LYS 44 N 8.13 0.00 0.08 0.43 5.09 -1.95 0.32 116.57 128.67 1g4f h LYS 44 Ca -0.40 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.33 1g4f h LYS 44 Cb 1.17 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.50 1g4f h LYS 44 CO 0.60 0.56 -0.04 1.49 -2.09 0.00 0.00 179.45 179.96 1g4f h GLU 45 N 0.00 -0.10 0.00 0.07 4.81 -1.95 -3.32 114.58 114.09 1g4f h GLU 45 Ca -0.01 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1g4f h GLU 45 Cb 1.34 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.74 1g4f h GLU 45 CO 0.07 0.41 -0.41 1.63 -0.73 0.00 0.00 179.01 179.99 1g4f n LYS 46 N -4.81 0.24 -2.40 1.92 4.76 -1.25 -4.94 118.16 111.69 1g4f n LYS 46 Ca -0.07 0.11 -0.12 0.00 -2.87 0.00 0.00 58.31 55.35 1g4f n LYS 46 Cb 0.28 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 1g4f n LYS 46 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1g4f n LYS 47 N -2.05 -1.62 -4.29 1.97 5.02 0.11 -5.01 118.16 112.28 1g4f n LYS 47 Ca 0.04 0.55 -0.16 0.00 -2.02 0.00 0.00 58.31 56.73 1g4f n LYS 47 Cb 0.42 -4.67 -0.10 0.00 -0.02 0.00 0.00 35.03 30.66 1g4f n LYS 47 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1g4f s SER 49 N -3.28 5.31 0.20 0.00 1.04 -0.97 0.24 113.70 116.24 1g4f s SER 49 Ca 0.38 -0.56 -0.05 0.00 0.48 0.00 0.00 55.95 56.19 1g4f s SER 49 Cb 0.07 -0.76 0.02 0.00 0.10 0.00 0.00 66.02 65.45 1g4f s SER 49 CO 0.14 -0.57 0.36 0.00 0.98 0.00 0.00 173.24 174.15 1g4f n TYR 50 N -1.56 -1.46 -4.73 5.02 0.18 -0.55 -2.30 117.16 111.77 1g4f n TYR 50 Ca 0.03 -1.06 -0.29 0.00 1.88 0.00 0.00 57.90 58.45 1g4f n TYR 50 Cb 0.60 0.42 -0.14 0.00 -0.38 0.00 0.00 39.34 39.84 1g4f n TYR 50 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 1g4f s THR 51 N -2.57 2.11 -0.56 -3.48 -4.23 -1.26 -0.84 115.64 104.82 1g4f s THR 51 Ca 0.11 -1.48 -0.01 0.00 -1.18 0.00 0.00 61.69 59.13 1g4f s THR 51 Cb -0.02 -1.83 0.15 0.00 1.34 0.00 0.00 72.50 72.14 1g4f s THR 51 CO 0.08 0.26 0.36 -1.61 -0.54 0.00 0.00 174.62 173.17 1g4f s GLU 52 N -1.47 2.32 0.32 3.99 0.41 0.85 -4.76 118.70 120.36 1g4f s GLU 52 Ca 0.12 -2.45 -0.24 0.00 -0.41 0.00 0.00 54.97 51.99 1g4f s GLU 52 Cb -0.10 -3.60 -0.16 0.00 -1.78 0.00 0.00 34.13 28.49 1g4f s GLU 52 CO 0.03 -1.14 0.28 -0.25 -0.49 0.00 0.00 175.26 173.69 1g4f n ASP 53 N 3.55 -2.14 -4.06 -0.19 8.00 -1.26 -2.01 116.55 118.44 1g4f n ASP 53 Ca 0.06 0.94 -0.14 0.00 0.71 0.00 0.00 54.79 56.36 1g4f n ASP 53 Cb 0.37 -0.92 -0.10 0.00 -0.02 0.00 0.00 41.12 40.45 1g4f n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1g4f s ALA 54 N -1.40 1.33 -0.00 2.24 0.00 0.71 -4.82 121.76 119.82 1g4f s ALA 54 Ca 0.61 -1.77 0.01 0.00 0.00 0.00 0.00 51.96 50.81 1g4f s ALA 54 Cb -0.75 1.38 -0.00 0.00 0.00 0.00 0.00 23.12 23.75 1g4f s ALA 54 CO 0.60 -0.59 -0.02 -1.14 0.00 0.00 0.00 175.76 174.60 1g4f s GLN 55 N -4.03 0.18 -0.06 0.00 0.74 -1.26 -1.88 119.66 113.36 1g4f s GLN 55 Ca 0.39 -0.08 -0.05 0.00 0.05 0.00 0.00 55.36 55.67 1g4f s GLN 55 Cb 0.06 -0.18 -0.04 0.00 1.10 0.00 0.00 33.01 33.95 1g4f s GLN 55 CO 0.15 0.05 0.15 0.00 -0.55 0.00 0.00 175.29 175.09 1g4f s ILE 57 N -1.17 0.41 -0.93 0.00 1.09 0.79 0.26 121.20 121.65 1g4f s ILE 57 Ca 0.21 -2.00 -0.16 0.00 -1.10 0.00 0.00 60.65 57.60 1g4f s ILE 57 Cb -0.12 -2.43 -0.27 0.00 -1.06 0.00 0.00 42.46 38.58 1g4f s ILE 57 CO 0.11 0.00 2.19 -0.67 -0.10 0.00 0.00 174.94 176.47 1g4f n ASP 58 N -1.25 -0.76 -1.21 3.58 -0.08 -1.24 -0.23 116.55 115.36 1g4f n ASP 58 Ca -0.01 -0.26 -0.10 0.00 -1.51 0.00 0.00 54.79 52.91 1g4f n ASP 58 Cb 0.64 -0.63 -0.04 0.00 2.34 0.00 0.00 41.12 43.43 1g4f n ASP 58 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1g4f n GLY 59 N 5.45 0.93 2.77 0.27 0.00 0.29 -4.88 105.19 110.02 1g4f n GLY 59 Ca 0.62 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.47 1g4f n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g4f s THR 60 N -1.79 0.06 -0.00 2.61 2.01 0.68 -4.76 115.64 114.44 1g4f s THR 60 Ca 0.00 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.22 1g4f s THR 60 Cb 0.00 -0.21 -0.00 0.00 0.01 0.00 0.00 72.50 72.30 1g4f s THR 60 CO 0.00 0.14 -0.05 -0.51 -0.69 0.00 0.00 174.62 173.51 1g4f s ILE 61 N 1.35 0.41 -1.21 1.82 2.07 -1.26 -0.15 121.20 124.22 1g4f s ILE 61 Ca -0.05 -0.22 -0.06 0.00 -1.41 0.00 0.00 60.65 58.91 1g4f s ILE 61 Cb -0.13 -0.35 0.21 0.00 0.13 0.00 0.00 42.46 42.33 1g4f s ILE 61 CO -0.03 0.12 1.87 -0.62 -1.91 0.00 0.00 174.94 174.37 1g4f n GLU 62 N 2.98 4.25 -1.59 3.50 -0.58 -1.26 -5.00 120.64 122.94 1g4f n GLU 62 Ca -0.13 -3.91 -0.49 0.00 -0.42 0.00 0.00 57.16 52.20 1g4f n GLU 62 Cb 0.58 -2.70 -0.04 0.00 -0.57 0.00 0.00 31.44 28.70 1g4f n GLU 62 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1g4f n VAL 63 N 2.09 0.67 -1.74 2.62 0.31 -1.26 -4.80 118.33 116.22 1g4f n VAL 63 Ca 0.41 -0.17 -0.42 0.00 -0.01 0.00 0.00 64.34 64.15 1g4f n VAL 63 Cb 0.32 -0.88 -0.03 0.00 -0.91 0.00 0.00 33.84 32.34 1g4f n VAL 63 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1g4f s PRO 64 N -0.16 3.94 0.56 5.55 0.02 -1.26 -4.83 135.00 138.82 1g4f s PRO 64 Ca 0.76 2.37 0.32 0.00 0.02 0.00 0.00 61.00 64.47 1g4f s PRO 64 Cb -0.86 -4.17 1.46 0.00 0.02 0.00 0.00 34.50 30.95 1g4f s PRO 64 CO 0.51 -1.18 1.81 1.57 -0.33 0.00 0.00 177.00 179.38 1g4f h LYS 65 N 11.27 0.00 -1.13 5.54 -0.00 -2.02 0.22 116.57 130.44 1g4f h LYS 65 Ca -0.45 0.00 0.33 0.00 -0.00 0.00 0.00 60.65 60.53 1g4f h LYS 65 Cb 1.22 0.00 -0.11 0.00 -0.00 0.00 0.00 32.23 33.34 1g4f h LYS 65 CO 0.95 0.00 0.72 0.00 -0.00 0.00 0.00 179.45 181.12 1g4f n PHE 67 N -4.71 -2.56 -3.58 0.00 7.35 0.06 -4.96 117.46 109.05 1g4f n PHE 67 Ca 0.30 0.24 -0.28 0.00 -0.76 0.00 0.00 57.45 56.95 1g4f n PHE 67 Cb 1.08 -1.53 -0.16 0.00 0.35 0.00 0.00 39.48 39.23 1g4f n PHE 67 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1g4f s LYS 68 N -2.69 0.19 0.02 -4.13 -0.14 -1.26 -5.04 119.74 106.68 1g4f s LYS 68 Ca 0.46 -0.39 -0.16 0.00 -1.36 0.00 0.00 55.97 54.52 1g4f s LYS 68 Cb -0.10 -1.48 -0.09 0.00 -1.68 0.00 0.00 37.83 34.48 1g4f s LYS 68 CO 0.72 -0.88 1.06 1.49 -0.76 0.00 0.00 175.35 176.97 1g4f h GLU 69 N 8.39 -0.57 -3.48 1.68 4.57 -1.95 -3.41 114.58 119.82 1g4f h GLU 69 Ca -0.18 0.04 -0.61 0.00 -1.18 0.00 0.00 59.36 57.43 1g4f h GLU 69 Cb 1.06 0.13 -0.40 0.00 -0.16 0.00 0.00 28.75 29.38 1g4f h GLU 69 CO 0.38 -0.38 -0.74 -1.01 -1.18 0.00 0.00 179.01 176.09 1g4f s HIS 70 N -3.96 2.20 -0.02 0.92 3.76 -1.26 -5.11 115.29 111.82 1g4f s HIS 70 Ca -0.09 -2.28 -0.06 0.00 -0.15 0.00 0.00 55.06 52.48 1g4f s HIS 70 Cb 0.01 -2.03 -0.04 0.00 1.11 0.00 0.00 32.58 31.63 1g4f s HIS 70 CO 0.26 -0.84 0.23 0.45 -0.85 0.00 0.00 174.74 173.99 1g4f s SER 71 N 0.89 6.46 -0.50 1.40 0.15 -1.26 -5.02 113.70 115.82 1g4f s SER 71 Ca 0.14 0.52 0.05 0.00 0.70 0.00 0.00 55.95 57.36 1g4f s SER 71 Cb -0.21 -2.08 0.38 0.00 -1.71 0.00 0.00 66.02 62.41 1g4f s SER 71 CO -0.11 0.29 1.03 -1.20 1.20 0.00 0.00 173.24 174.45 1g4f n SER 72 N 1.31 4.49 -2.54 5.45 7.64 -1.26 -5.07 113.62 123.64 1g4f n SER 72 Ca -0.13 -3.68 -0.03 0.00 1.01 0.00 0.00 58.87 56.04 1g4f n SER 72 Cb 0.53 -0.51 0.02 0.00 -1.01 0.00 0.00 64.21 63.24 1g4f n SER 72 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1g4f n LEU 73 N -0.35 0.00 0.00 -3.43 4.77 -1.26 -5.03 117.00 111.70 1g4f n LEU 73 Ca 0.34 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1g4f n LEU 73 Cb 0.54 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1g4f n LEU 73 CO 0.33 -1.03 0.00 0.00 -1.33 0.00 0.00 177.39 175.36 1g4f n ALA 74 N -3.16 0.00 -3.26 -1.18 0.00 -1.26 -4.82 120.51 106.83 1g4f n ALA 74 Ca -0.02 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.96 1g4f n ALA 74 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.49 1g4f n ALA 74 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1g4f s PHE 75 N 0.00 3.80 0.49 0.00 5.36 -1.26 -5.03 117.98 121.34 1g4f s PHE 75 Ca 0.00 -2.10 0.08 0.00 -0.96 0.00 0.00 56.93 53.94 1g4f s PHE 75 Cb 0.00 -3.91 0.02 0.00 -0.34 0.00 0.00 43.02 38.79 1g4f s PHE 75 CO 0.00 -1.07 0.49 -1.58 -1.46 0.00 0.00 175.22 171.61 1g4f s TRP 76 N 0.20 2.14 -0.03 10.12 0.51 -1.26 -5.05 118.94 125.57 1g4f s TRP 76 Ca 0.24 -0.63 0.06 0.00 -2.12 0.00 0.00 56.10 53.65 1g4f s TRP 76 Cb -0.09 -2.13 0.09 0.00 -0.81 0.00 0.00 33.47 30.53 1g4f s TRP 76 CO -0.08 -0.47 1.04 1.63 -0.51 0.00 0.00 176.95 178.56 1g4f n LYS 77 N -1.79 0.31 -3.28 4.98 5.02 -1.26 -4.99 118.16 117.15 1g4f n LYS 77 Ca 0.05 -1.43 -0.07 0.00 -2.02 0.00 0.00 58.31 54.84 1g4f n LYS 77 Cb 0.62 -0.72 -0.05 0.00 -0.02 0.00 0.00 35.03 34.86 1g4f n LYS 77 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1g4f s THR 78 N -0.70 -0.68 0.79 -0.18 -4.23 -1.26 -5.05 115.64 104.34 1g4f s THR 78 Ca 0.09 -0.33 -0.11 0.00 -1.18 0.00 0.00 61.69 60.16 1g4f s THR 78 Cb 0.09 -0.83 0.07 0.00 1.34 0.00 0.00 72.50 73.16 1g4f s THR 78 CO -0.00 -0.26 1.09 -0.62 -0.54 0.00 0.00 174.62 174.29 1g4f s ASP 79 N 2.33 4.52 0.28 3.99 2.15 -1.26 -4.56 116.67 124.12 1g4f s ASP 79 Ca 0.11 1.37 -0.05 0.00 0.43 0.00 0.00 52.55 54.42 1g4f s ASP 79 Cb -0.12 -2.12 0.55 0.00 -0.30 0.00 0.00 42.92 40.93 1g4f s ASP 79 CO -0.23 -1.96 1.59 0.00 -0.17 0.00 0.00 175.17 174.39 1g4f h ALA 80 N -1.08 0.86 0.00 3.66 0.00 -1.84 2.26 119.26 123.11 1g4f h ALA 80 Ca -0.47 0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1g4f h ALA 80 Cb 1.26 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1g4f h ALA 80 CO 0.58 -0.46 0.00 -1.13 0.00 0.00 0.00 179.25 178.24 1g4f n SER 81 N -5.50 0.00 -1.11 0.00 3.41 -1.26 -2.54 113.62 106.62 1g4f n SER 81 Ca 0.18 0.37 0.04 0.00 -0.26 0.00 0.00 58.87 59.20 1g4f n SER 81 Cb 0.58 -0.43 0.12 0.00 -0.26 0.00 0.00 64.21 64.22 1g4f n SER 81 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1g4f n ASP 82 N -1.43 1.58 -4.70 4.04 8.00 0.75 -5.03 116.55 119.76 1g4f n ASP 82 Ca 0.03 -3.08 -0.23 0.00 0.71 0.00 0.00 54.79 52.22 1g4f n ASP 82 Cb 0.11 -0.43 -0.07 0.00 -0.02 0.00 0.00 41.12 40.72 1g4f n ASP 82 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1g4f s VAL 83 N -2.05 3.38 -0.00 2.53 1.01 -0.51 -4.36 120.40 120.40 1g4f s VAL 83 Ca 0.37 -1.76 -0.24 0.00 0.00 0.00 0.00 61.98 60.34 1g4f s VAL 83 Cb 0.38 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 1g4f s VAL 83 CO -0.10 -0.29 0.72 -1.59 0.00 0.00 0.00 175.10 173.84 1g4f s LYS 84 N -3.77 4.45 0.29 2.72 -2.85 -1.26 -4.80 119.74 114.52 1g4f s LYS 84 Ca 0.34 0.96 -0.30 0.00 -1.00 0.00 0.00 55.97 55.97 1g4f s LYS 84 Cb -0.05 -3.39 -0.11 0.00 -2.06 0.00 0.00 37.83 32.22 1g4f s LYS 84 CO 0.22 0.22 1.59 -2.14 0.10 0.00 0.00 175.35 175.33 1g4f s PRO 85 N 0.24 4.13 0.00 1.78 0.01 -1.26 -2.30 135.00 137.60 1g4f s PRO 85 Ca 0.37 2.56 0.00 0.00 0.01 0.00 0.00 61.00 63.95 1g4f s PRO 85 Cb -0.19 -3.03 0.00 0.00 0.01 0.00 0.00 34.50 31.29 1g4f s PRO 85 CO 0.21 -0.62 0.07 0.00 0.01 0.00 0.00 177.00 176.67