#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 1.42 -1.76 -2.82 -0.00 -1.26 -4.84 118.16 108.90 1g4f n LYS 2 Ca 0.00 -1.99 -0.42 0.00 -0.00 0.00 0.00 58.31 55.90 1g4f n LYS 2 Cb 0.00 -0.24 -0.03 0.00 -0.00 0.00 0.00 35.03 34.76 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 -1.04 3.90 1.02 0.58 0.00 -1.26 -4.24 121.76 120.73 1g4f s ALA 3 Ca 0.16 1.54 -0.13 0.00 0.00 0.00 0.00 51.96 53.53 1g4f s ALA 3 Cb 0.41 -3.69 0.19 0.00 0.00 0.00 0.00 23.12 20.03 1g4f s ALA 3 CO -0.09 -0.92 0.40 -1.13 0.00 0.00 0.00 175.76 174.02 1g4f n SER 4 N 4.11 -3.11 0.00 0.00 3.41 -1.26 -0.70 113.62 116.08 1g4f n SER 4 Ca 0.16 -0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 1g4f n SER 4 Cb 0.36 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 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 3.43 0.25 -0.94 0.00 2.20 -1.26 -3.73 119.74 119.70 1g4f s LYS 6 Ca 0.00 0.09 -0.28 0.00 -0.36 0.00 0.00 55.97 55.42 1g4f s LYS 6 Cb 0.00 -0.96 -0.21 0.00 -1.51 0.00 0.00 37.83 35.15 1g4f s LYS 6 CO 0.00 -0.79 2.52 1.47 -0.36 0.00 0.00 175.35 178.19 1g4f n LEU 7 N 5.32 0.22 -0.05 5.43 -0.00 -1.26 -4.72 117.00 121.94 1g4f n LEU 7 Ca -0.04 0.15 -0.02 0.00 -0.00 0.00 0.00 56.01 56.09 1g4f n LEU 7 Cb 0.48 -0.85 0.23 0.00 -0.00 0.00 0.00 43.42 43.28 1g4f n LEU 7 CO 0.05 -0.70 0.89 1.55 -0.00 0.00 0.00 177.39 179.19 1g4f h PRO 8 N 11.23 0.63 -5.83 1.47 0.14 -1.97 -3.44 132.00 134.23 1g4f h PRO 8 Ca -0.04 -0.16 -0.58 0.00 0.14 0.00 0.00 66.00 65.35 1g4f h PRO 8 Cb 1.22 -0.08 -0.07 0.00 0.14 0.00 0.00 31.00 32.21 1g4f h PRO 8 CO 1.31 0.67 -0.42 0.08 0.14 0.00 0.00 178.00 179.79 1g4f s VAL 9 N -4.92 1.93 -0.25 1.56 1.01 -1.26 -5.04 120.40 113.43 1g4f s VAL 9 Ca -0.08 -1.63 0.06 0.00 0.00 0.00 0.00 61.98 60.32 1g4f s VAL 9 Cb 0.15 -2.56 0.14 0.00 0.00 0.00 0.00 36.38 34.11 1g4f s VAL 9 CO 0.79 0.00 1.10 1.17 0.00 0.00 0.00 175.10 178.16 1g4f n LYS 10 N -1.46 2.74 -2.68 2.72 4.81 -1.26 -4.63 118.16 118.39 1g4f n LYS 10 Ca -0.04 -1.85 -0.03 0.00 -0.87 0.00 0.00 58.31 55.52 1g4f n LYS 10 Cb 0.65 -1.18 0.13 0.00 0.02 0.00 0.00 35.03 34.64 1g4f n LYS 10 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1g4f n LYS 11 N -0.39 1.32 -2.99 1.64 2.85 -1.26 -4.60 118.16 114.74 1g4f n LYS 11 Ca 0.06 -1.40 -0.28 0.00 -1.05 0.00 0.00 58.31 55.64 1g4f n LYS 11 Cb 0.38 0.28 -0.02 0.00 -0.65 0.00 0.00 35.03 35.02 1g4f n LYS 11 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1g4f s ALA 12 N 0.13 3.50 -0.08 0.58 0.00 -1.26 -4.95 121.76 119.67 1g4f s ALA 12 Ca 0.13 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 1g4f s ALA 12 Cb 0.43 -2.45 0.03 0.00 0.00 0.00 0.00 23.12 21.13 1g4f s ALA 12 CO -0.12 -0.08 -0.02 0.99 0.00 0.00 0.00 175.76 176.53 1g4f s THR 13 N -2.43 0.59 0.34 0.00 2.01 -1.26 -1.61 115.64 113.28 1g4f s THR 13 Ca 0.46 -0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.48 1g4f s THR 13 Cb -0.10 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 1g4f s THR 13 CO 0.37 0.29 0.11 0.68 -0.69 0.00 0.00 174.62 175.38 1g4f s VAL 14 N 1.83 0.69 -0.56 3.82 -7.23 -1.00 -4.06 120.40 113.89 1g4f s VAL 14 Ca 0.04 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.17 1g4f s VAL 14 Cb -0.12 -2.55 0.15 0.00 0.56 0.00 0.00 36.38 34.41 1g4f s VAL 14 CO -0.06 0.00 0.39 -0.69 -0.31 0.00 0.00 175.10 174.43 1g4f s VAL 15 N -3.40 3.77 -0.26 1.32 1.01 -0.23 -2.11 120.40 120.50 1g4f s VAL 15 Ca 0.32 -2.56 -0.19 0.00 0.00 0.00 0.00 61.98 59.54 1g4f s VAL 15 Cb 0.06 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 1g4f s VAL 15 CO 0.15 -0.83 0.59 -0.47 0.00 0.00 0.00 175.10 174.55 1g4f s TYR 16 N 0.43 3.27 -1.45 5.22 5.04 0.45 -3.54 117.35 126.77 1g4f s TYR 16 Ca 0.13 0.72 -0.10 0.00 -2.44 0.00 0.00 57.07 55.39 1g4f s TYR 16 Cb -0.21 -2.82 0.04 0.00 0.35 0.00 0.00 41.96 39.32 1g4f s TYR 16 CO -0.04 -0.33 0.98 1.04 -1.34 0.00 0.00 175.55 175.86 1g4f n GLN 17 N 5.68 -6.40 -2.04 4.97 6.02 -1.26 -1.07 117.38 123.28 1g4f n GLN 17 Ca -0.02 0.75 -0.10 0.00 -0.01 0.00 0.00 57.00 57.62 1g4f n GLN 17 Cb 0.49 -5.70 -0.01 0.00 1.02 0.00 0.00 30.24 26.04 1g4f n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1g4f n GLY 18 N -1.78 0.16 2.87 1.08 0.00 -1.26 -5.01 105.19 101.26 1g4f n GLY 18 Ca -0.00 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 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 -4.22 0.97 0.09 1.61 2.02 -0.23 -5.10 118.70 113.85 1g4f s GLU 19 Ca 0.00 -0.09 -0.29 0.00 0.02 0.00 0.00 54.97 54.60 1g4f s GLU 19 Cb 0.00 -1.08 -0.05 0.00 0.10 0.00 0.00 34.13 33.10 1g4f s GLU 19 CO 0.00 -0.18 0.94 1.03 0.02 0.00 0.00 175.26 177.07 1g4f s ARG 20 N 1.38 4.66 0.13 1.61 0.52 -1.26 -0.41 118.95 125.57 1g4f s ARG 20 Ca -0.03 1.40 -0.16 0.00 -0.52 0.00 0.00 55.73 56.41 1g4f s ARG 20 Cb -0.13 -3.38 0.04 0.00 0.52 0.00 0.00 34.95 31.99 1g4f s ARG 20 CO -0.03 0.20 0.41 0.14 0.02 0.00 0.00 175.30 176.04 1g4f s VAL 21 N 0.09 0.07 -0.37 3.52 -7.23 -0.90 -4.96 120.40 110.61 1g4f s VAL 21 Ca 0.46 -0.55 -0.17 0.00 -1.81 0.00 0.00 61.98 59.90 1g4f s VAL 21 Cb -0.23 -1.16 0.00 0.00 0.56 0.00 0.00 36.38 35.56 1g4f s VAL 21 CO 0.29 -0.31 0.47 -0.54 -0.31 0.00 0.00 175.10 174.70 1g4f s LYS 22 N -3.79 3.46 0.63 4.82 -0.14 -1.26 -2.37 119.74 121.09 1g4f s LYS 22 Ca 0.03 -0.38 0.23 0.00 -1.36 0.00 0.00 55.97 54.49 1g4f s LYS 22 Cb 0.02 -3.86 1.09 0.00 -1.68 0.00 0.00 37.83 33.40 1g4f s LYS 22 CO -0.12 -0.69 1.58 0.97 -0.76 0.00 0.00 175.35 176.33 1g4f h ILE 23 N 5.65 0.10 -0.00 2.17 2.10 -1.67 1.70 117.51 127.56 1g4f h ILE 23 Ca -0.28 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.66 1g4f h ILE 23 Cb 1.12 0.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.22 1g4f h ILE 23 CO 0.77 0.00 -0.06 0.00 -1.08 0.00 0.00 178.15 177.78 1g4f n GLN 24 N -3.12 0.54 0.00 2.19 10.64 -1.26 -2.85 117.38 123.51 1g4f n GLN 24 Ca 0.07 -0.10 0.00 0.00 -1.83 0.00 0.00 57.00 55.14 1g4f n GLN 24 Cb 0.85 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.74 1g4f n GLN 24 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1g4f n GLU 25 N -1.14 0.00 0.13 2.61 1.02 0.55 -4.56 120.64 119.25 1g4f n GLU 25 Ca 0.14 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 57.06 1g4f n GLU 25 Cb 0.26 -0.78 -0.15 0.00 -0.02 0.00 0.00 31.44 30.75 1g4f n GLU 25 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1g4f h LYS 26 N 0.00 0.50 -0.91 3.49 3.11 -0.83 -3.31 116.57 118.62 1g4f h LYS 26 Ca 0.00 -0.81 -0.62 0.00 -2.81 0.00 0.00 60.65 56.41 1g4f h LYS 26 Cb 0.60 0.30 -0.32 0.00 -1.00 0.00 0.00 32.23 31.81 1g4f h LYS 26 CO 0.00 1.38 0.42 1.19 -2.81 0.00 0.00 179.45 179.64 1g4f n PHE 27 N -3.69 3.02 -0.32 1.91 3.72 -1.13 -4.75 117.46 116.22 1g4f n PHE 27 Ca -0.14 -2.71 0.21 0.00 -0.05 0.00 0.00 57.45 54.75 1g4f n PHE 27 Cb 1.07 -1.12 0.42 0.00 -0.94 0.00 0.00 39.48 38.90 1g4f n PHE 27 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1g4f h LYS 28 N 1.94 0.22 -2.12 -1.08 1.57 -1.66 0.34 116.57 115.78 1g4f h LYS 28 Ca 0.54 -0.01 -0.79 0.00 -1.87 0.00 0.00 60.65 58.52 1g4f h LYS 28 Cb 1.15 -0.05 -0.27 0.00 0.08 0.00 0.00 32.23 33.14 1g4f h LYS 28 CO 1.32 0.15 1.05 0.09 -0.57 0.00 0.00 179.45 181.49 1g4f n ASN 29 N -5.16 7.45 -0.88 0.86 5.03 -1.26 -4.90 115.26 116.40 1g4f n ASN 29 Ca 0.29 -3.77 0.12 0.00 0.87 0.00 0.00 54.58 52.09 1g4f n ASN 29 Cb 0.92 -1.12 -0.03 0.00 -1.02 0.00 0.00 39.78 38.52 1g4f n ASN 29 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1g4f n GLY 30 N -0.30 -1.81 3.90 7.41 0.00 0.11 -4.81 105.19 109.69 1g4f n GLY 30 Ca 0.50 -1.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.97 2.76 0.48 1.61 1.00 -1.24 -4.65 119.30 117.28 1g4f s MET 31 Ca 0.00 -1.30 -0.18 0.00 0.00 0.00 0.00 55.69 54.21 1g4f s MET 31 Cb 0.00 -2.55 -0.09 0.00 0.00 0.00 0.00 34.83 32.19 1g4f s MET 31 CO 0.00 -0.02 0.97 -0.51 0.00 0.00 0.00 175.02 175.45 1g4f s LEU 32 N -4.10 3.74 0.42 -0.03 1.43 -1.26 0.14 118.68 119.02 1g4f s LEU 32 Ca 0.45 1.60 -0.26 0.00 -1.03 0.00 0.00 54.13 54.89 1g4f s LEU 32 Cb -0.06 -4.50 -0.09 0.00 0.03 0.00 0.00 46.19 41.57 1g4f s LEU 32 CO 0.28 -0.50 1.34 -2.28 0.23 0.00 0.00 176.35 175.42 1g4f s HIS 33 N -2.46 2.71 -0.28 0.29 5.65 -1.26 -1.78 115.29 118.16 1g4f s HIS 33 Ca 0.60 1.36 0.00 0.00 0.25 0.00 0.00 55.06 57.27 1g4f s HIS 33 Cb -0.10 -3.75 0.00 0.00 -1.18 0.00 0.00 32.58 27.56 1g4f s HIS 33 CO 0.25 -2.35 0.00 0.41 -0.65 0.00 0.00 174.74 172.40 1g4f n GLY 34 N 0.64 0.45 3.67 1.59 0.00 0.03 -4.94 105.19 106.63 1g4f n GLY 34 Ca 0.04 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1g4f n GLY 34 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1g4f s ASP 35 N -2.19 6.86 -0.23 1.61 -1.08 -0.73 -4.59 116.67 116.32 1g4f s ASP 35 Ca 0.00 1.93 -0.10 0.00 -0.52 0.00 0.00 52.55 53.86 1g4f s ASP 35 Cb 0.00 -2.54 -0.05 0.00 -1.46 0.00 0.00 42.92 38.87 1g4f s ASP 35 CO 0.00 -0.79 0.16 -0.54 0.52 0.00 0.00 175.17 174.52 1g4f s LYS 36 N 3.36 4.11 0.01 4.34 1.02 -1.26 -0.78 119.74 130.54 1g4f s LYS 36 Ca 0.62 -0.24 0.02 0.00 0.02 0.00 0.00 55.97 56.38 1g4f s LYS 36 Cb -0.27 -3.50 -0.01 0.00 -0.52 0.00 0.00 37.83 33.53 1g4f s LYS 36 CO 0.22 0.14 -0.06 0.14 -0.92 0.00 0.00 175.35 174.87 1g4f s VAL 37 N 0.84 0.42 -0.11 3.17 -7.23 -0.79 -4.56 120.40 112.14 1g4f s VAL 37 Ca 0.08 -0.39 -0.05 0.00 -1.81 0.00 0.00 61.98 59.82 1g4f s VAL 37 Cb -0.13 -0.39 -0.04 0.00 0.56 0.00 0.00 36.38 36.39 1g4f s VAL 37 CO 0.03 0.01 0.06 -0.44 -0.31 0.00 0.00 175.10 174.45 1g4f s SER 38 N -0.41 5.72 -0.00 4.85 0.01 -1.23 0.23 113.70 122.86 1g4f s SER 38 Ca -0.01 0.25 -0.04 0.00 1.31 0.00 0.00 55.95 57.47 1g4f s SER 38 Cb -0.04 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.38 1g4f s SER 38 CO -0.00 0.35 0.21 -0.36 0.41 0.00 0.00 173.24 173.85 1g4f s PHE 39 N -0.72 3.56 0.13 2.43 0.08 -1.02 -1.06 117.98 121.37 1g4f s PHE 39 Ca 0.12 0.42 -0.28 0.00 0.12 0.00 0.00 56.93 57.31 1g4f s PHE 39 Cb -0.12 -1.87 -0.07 0.00 -0.57 0.00 0.00 43.02 40.39 1g4f s PHE 39 CO 0.03 0.64 0.89 -0.06 -0.10 0.00 0.00 175.22 176.61 1g4f s PHE 40 N -1.32 3.85 0.28 0.36 0.08 -1.26 -0.34 117.98 119.64 1g4f s PHE 40 Ca 0.27 1.73 0.04 0.00 0.12 0.00 0.00 56.93 59.09 1g4f s PHE 40 Cb -0.13 -2.95 -0.04 0.00 -0.57 0.00 0.00 43.02 39.34 1g4f s PHE 40 CO 0.18 0.32 0.20 0.00 -0.10 0.00 0.00 175.22 175.82 1g4f s LYS 42 N -3.77 1.57 -0.19 0.00 0.00 -1.26 -1.44 119.74 114.65 1g4f s LYS 42 Ca 0.39 -1.27 0.01 0.00 0.00 0.00 0.00 55.97 55.10 1g4f s LYS 42 Cb 0.04 -1.98 0.03 0.00 0.00 0.00 0.00 37.83 35.92 1g4f s LYS 42 CO 0.20 0.47 -0.18 1.21 0.00 0.00 0.00 175.35 177.05 1g4f s ASN 43 N -1.98 3.26 0.09 0.03 3.84 0.25 -4.92 114.94 115.51 1g4f s ASN 43 Ca 0.15 -0.74 -0.14 0.00 0.21 0.00 0.00 52.86 52.34 1g4f s ASN 43 Cb -0.10 -1.45 -0.14 0.00 -0.55 0.00 0.00 41.25 39.01 1g4f s ASN 43 CO 0.07 -0.03 1.32 0.50 -2.79 0.00 0.00 177.10 176.16 1g4f h LYS 44 N 7.93 0.72 -0.13 0.43 3.64 -1.95 0.93 116.57 128.13 1g4f h LYS 44 Ca -0.41 -0.52 -0.03 0.00 -1.27 0.00 0.00 60.65 58.42 1g4f h LYS 44 Cb 1.13 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1g4f h LYS 44 CO 0.60 1.14 -0.04 1.49 -2.27 0.00 0.00 179.45 180.37 1g4f h GLU 45 N 0.42 0.18 0.00 1.90 4.81 -1.96 -2.89 114.58 117.04 1g4f h GLU 45 Ca -0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1g4f h GLU 45 Cb 1.19 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1g4f h GLU 45 CO 0.12 0.24 -1.55 1.63 -0.73 0.00 0.00 179.01 178.72 1g4f n LYS 46 N -4.38 0.74 -2.14 1.92 5.02 -1.19 -4.99 118.16 113.13 1g4f n LYS 46 Ca -0.01 -0.12 -0.13 0.00 -2.02 0.00 0.00 58.31 56.03 1g4f n LYS 46 Cb 0.18 -1.39 -0.01 0.00 -0.02 0.00 0.00 35.03 33.79 1g4f n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1g4f n LYS 47 N -1.93 -1.05 -3.16 1.97 5.02 0.32 -4.99 118.16 114.33 1g4f n LYS 47 Ca -0.02 0.69 -0.11 0.00 -2.02 0.00 0.00 58.31 56.86 1g4f n LYS 47 Cb 0.41 -4.92 -0.04 0.00 -0.02 0.00 0.00 35.03 30.47 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 -2.21 4.46 0.17 0.00 1.04 -0.95 0.87 113.70 117.08 1g4f s SER 49 Ca 0.19 -1.06 -0.20 0.00 0.48 0.00 0.00 55.95 55.36 1g4f s SER 49 Cb 0.01 -0.49 0.05 0.00 0.10 0.00 0.00 66.02 65.69 1g4f s SER 49 CO 0.13 -0.54 0.55 -0.72 0.98 0.00 0.00 173.24 173.64 1g4f s TYR 50 N -2.59 -0.35 -0.03 5.02 -0.85 -0.52 -2.51 117.35 115.51 1g4f s TYR 50 Ca 0.41 0.06 -0.04 0.00 -0.52 0.00 0.00 57.07 56.99 1g4f s TYR 50 Cb 0.03 0.47 -0.04 0.00 0.38 0.00 0.00 41.96 42.80 1g4f s TYR 50 CO 0.23 -0.86 0.18 0.95 -1.52 0.00 0.00 175.55 174.52 1g4f s THR 51 N -3.80 5.45 -0.65 -3.49 -4.23 -1.26 -0.58 115.64 107.08 1g4f s THR 51 Ca 0.04 -0.06 -0.01 0.00 -1.18 0.00 0.00 61.69 60.48 1g4f s THR 51 Cb -0.01 -3.51 0.16 0.00 1.34 0.00 0.00 72.50 70.49 1g4f s THR 51 CO -0.09 0.39 0.46 -0.70 -0.54 0.00 0.00 174.62 174.14 1g4f s GLU 52 N -1.72 2.57 0.32 3.99 -6.30 0.54 -4.80 118.70 113.29 1g4f s GLU 52 Ca 0.25 -2.68 -0.25 0.00 -2.50 0.00 0.00 54.97 49.79 1g4f s GLU 52 Cb -0.13 -3.69 -0.15 0.00 0.00 0.00 0.00 34.13 30.17 1g4f s GLU 52 CO 0.15 -1.18 0.54 -0.25 0.02 0.00 0.00 175.26 174.54 1g4f n ASP 53 N 3.21 -0.96 -4.28 -1.70 8.00 -1.26 -2.44 116.55 117.12 1g4f n ASP 53 Ca 0.10 1.02 -0.21 0.00 0.71 0.00 0.00 54.79 56.41 1g4f n ASP 53 Cb 0.37 -1.05 -0.10 0.00 -0.02 0.00 0.00 41.12 40.32 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 -1.27 2.24 0.02 2.24 0.00 0.64 -4.85 121.76 120.77 1g4f s ALA 54 Ca 0.62 -1.79 0.02 0.00 0.00 0.00 0.00 51.96 50.81 1g4f s ALA 54 Cb -0.74 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 1g4f s ALA 54 CO 0.59 -0.39 -0.08 -1.14 0.00 0.00 0.00 175.76 174.74 1g4f s GLN 55 N -3.89 0.55 0.04 0.00 0.74 -1.26 -1.89 119.66 113.96 1g4f s GLN 55 Ca 0.34 -0.50 0.01 0.00 0.05 0.00 0.00 55.36 55.26 1g4f s GLN 55 Cb 0.07 -0.44 -0.04 0.00 1.10 0.00 0.00 33.01 33.69 1g4f s GLN 55 CO 0.15 0.11 0.11 0.00 -0.55 0.00 0.00 175.29 175.11 1g4f s ILE 57 N -1.34 0.61 -0.91 0.00 -1.09 0.12 -0.79 121.20 117.80 1g4f s ILE 57 Ca 0.28 -2.00 -0.29 0.00 -2.23 0.00 0.00 60.65 56.41 1g4f s ILE 57 Cb -0.12 -2.56 -0.20 0.00 -1.58 0.00 0.00 42.46 38.00 1g4f s ILE 57 CO 0.20 0.00 2.63 -0.67 -1.23 0.00 0.00 174.94 175.87 1g4f n ASP 58 N -0.85 0.61 -1.08 3.58 -0.08 -1.26 -0.77 116.55 116.71 1g4f n ASP 58 Ca -0.01 0.02 -0.09 0.00 -1.51 0.00 0.00 54.79 53.20 1g4f n ASP 58 Cb 0.66 -1.03 -0.04 0.00 2.34 0.00 0.00 41.12 43.04 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 6.38 0.87 2.89 0.27 0.00 0.41 -4.86 105.19 111.15 1g4f n GLY 59 Ca 0.61 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.50 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 -1.69 0.07 -0.12 2.61 2.01 0.05 -4.72 115.64 113.86 1g4f s THR 60 Ca 0.00 -0.07 -0.17 0.00 0.31 0.00 0.00 61.69 61.76 1g4f s THR 60 Cb 0.00 -0.07 0.04 0.00 0.01 0.00 0.00 72.50 72.48 1g4f s THR 60 CO 0.00 -0.00 0.44 -0.51 -0.69 0.00 0.00 174.62 173.86 1g4f s ILE 61 N -0.07 0.01 0.00 1.82 2.07 -1.26 0.14 121.20 123.92 1g4f s ILE 61 Ca -0.00 -0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.12 1g4f s ILE 61 Cb -0.01 -0.66 0.00 0.00 0.13 0.00 0.00 42.46 41.92 1g4f s ILE 61 CO -0.00 -0.07 0.00 -0.62 -1.91 0.00 0.00 174.94 172.34 1g4f n GLU 62 N 2.24 3.58 -3.68 3.50 1.02 -1.26 -5.04 120.64 121.00 1g4f n GLU 62 Ca -0.16 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.84 1g4f n GLU 62 Cb 0.57 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.90 1g4f n GLU 62 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1g4f s VAL 63 N 1.97 0.01 0.97 2.62 1.01 -1.26 -4.97 120.40 120.75 1g4f s VAL 63 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.80 1g4f s VAL 63 Cb 0.00 -0.75 0.18 0.00 0.00 0.00 0.00 36.38 35.80 1g4f s VAL 63 CO 0.00 -0.04 1.12 -2.84 0.00 0.00 0.00 175.10 173.34 1g4f s PRO 64 N -0.19 0.58 0.17 2.72 0.02 -1.26 -4.94 135.00 132.10 1g4f s PRO 64 Ca -0.04 1.43 0.08 0.00 0.02 0.00 0.00 61.00 62.50 1g4f s PRO 64 Cb -0.03 -1.69 -0.04 0.00 0.02 0.00 0.00 34.50 32.76 1g4f s PRO 64 CO 0.03 -2.89 1.38 -0.22 -0.33 0.00 0.00 177.00 174.96 1g4f h LYS 65 N -2.06 0.00 0.00 5.54 3.64 -1.97 -3.26 116.57 118.46 1g4f h LYS 65 Ca -0.47 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.87 1g4f h LYS 65 Cb 1.28 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1g4f h LYS 65 CO 0.43 0.87 -0.30 0.00 -2.27 0.00 0.00 179.45 178.19 1g4f s PHE 67 N -3.13 3.44 -0.23 0.00 5.36 -1.23 -4.89 117.98 117.31 1g4f s PHE 67 Ca 0.05 0.78 -0.08 0.00 -0.96 0.00 0.00 56.93 56.73 1g4f s PHE 67 Cb 0.06 -2.19 0.10 0.00 -0.34 0.00 0.00 43.02 40.66 1g4f s PHE 67 CO 0.71 0.29 0.48 0.21 -1.46 0.00 0.00 175.22 175.44 1g4f s LYS 68 N -2.89 0.39 -0.24 10.12 2.20 -1.26 -4.75 119.74 123.31 1g4f s LYS 68 Ca 0.46 1.13 -0.29 0.00 -0.36 0.00 0.00 55.97 56.91 1g4f s LYS 68 Cb -0.11 0.46 -0.01 0.00 -1.51 0.00 0.00 37.83 36.65 1g4f s LYS 68 CO 0.23 -0.25 1.44 -2.00 -0.36 0.00 0.00 175.35 174.42 1g4f s GLU 69 N 2.69 3.91 -0.04 4.03 2.12 -1.26 -4.99 118.70 125.17 1g4f s GLU 69 Ca -0.02 1.51 -0.02 0.00 0.36 0.00 0.00 54.97 56.80 1g4f s GLU 69 Cb -0.12 -3.94 0.02 0.00 0.26 0.00 0.00 34.13 30.35 1g4f s GLU 69 CO -0.14 -1.13 0.08 -1.58 -0.54 0.00 0.00 175.26 171.95 1g4f s HIS 70 N 4.60 -0.08 1.22 5.30 2.46 -1.26 -5.15 115.29 122.38 1g4f s HIS 70 Ca 0.63 0.26 -0.16 0.00 0.47 0.00 0.00 55.06 56.26 1g4f s HIS 70 Cb -0.21 -0.07 0.27 0.00 -0.13 0.00 0.00 32.58 32.44 1g4f s HIS 70 CO 0.25 -0.09 0.73 0.45 -2.47 0.00 0.00 174.74 173.61 1g4f n SER 71 N 3.64 -2.38 -3.78 9.88 2.88 -1.26 -5.04 113.62 117.56 1g4f n SER 71 Ca -0.20 -0.30 0.02 0.00 -1.33 0.00 0.00 58.87 57.07 1g4f n SER 71 Cb 0.55 -1.12 0.01 0.00 -0.75 0.00 0.00 64.21 62.90 1g4f n SER 71 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1g4f s SER 72 N -2.33 -0.01 0.00 -3.46 0.15 -1.26 -5.18 113.70 101.61 1g4f s SER 72 Ca 0.65 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.11 1g4f s SER 72 Cb -0.20 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 1g4f s SER 72 CO 0.64 -0.29 0.00 0.18 1.20 0.00 0.00 173.24 174.97 1g4f n LEU 73 N -0.82 0.00 -0.02 3.45 7.99 -1.26 -4.95 117.00 121.40 1g4f n LEU 73 Ca 0.01 0.00 0.23 0.00 -0.01 0.00 0.00 56.01 56.25 1g4f n LEU 73 Cb 0.59 0.00 0.66 0.00 -0.11 0.00 0.00 43.42 44.56 1g4f n LEU 73 CO 0.15 -0.18 1.21 0.00 -1.51 0.00 0.00 177.39 177.06 1g4f h ALA 74 N 0.54 2.41 -0.71 -1.18 0.00 -2.07 -3.46 119.26 114.80 1g4f h ALA 74 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1g4f h ALA 74 Cb 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1g4f h ALA 74 CO 0.00 -1.02 -0.11 1.97 0.00 0.00 0.00 179.25 180.09 1g4f n PHE 75 N -3.58 -2.29 -1.68 0.00 1.16 -1.26 -4.91 117.46 104.91 1g4f n PHE 75 Ca 0.13 0.38 -0.03 0.00 -1.87 0.00 0.00 57.45 56.06 1g4f n PHE 75 Cb 0.92 -0.69 -0.03 0.00 -1.61 0.00 0.00 39.48 38.07 1g4f n PHE 75 CO 0.00 0.00 0.00 1.87 -1.87 0.00 0.00 176.76 176.76 1g4f n TRP 76 N -1.28 0.00 -5.15 2.97 -0.00 -1.26 -5.13 117.44 107.59 1g4f n TRP 76 Ca 0.00 -0.19 -0.31 0.00 -0.00 0.00 0.00 57.50 57.00 1g4f n TRP 76 Cb 0.14 0.34 -0.17 0.00 -0.00 0.00 0.00 31.31 31.62 1g4f n TRP 76 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1g4f s LYS 77 N 0.00 2.84 -0.42 5.87 1.02 -1.26 -5.06 119.74 122.73 1g4f s LYS 77 Ca 0.00 -0.83 -0.29 0.00 0.02 0.00 0.00 55.97 54.87 1g4f s LYS 77 Cb 0.00 -2.18 -0.09 0.00 -0.52 0.00 0.00 37.83 35.04 1g4f s LYS 77 CO 0.00 0.19 2.34 2.41 -0.92 0.00 0.00 175.35 179.36 1g4f n THR 78 N 3.48 0.11 -2.39 2.17 -1.04 -1.26 -4.93 114.28 110.42 1g4f n THR 78 Ca -0.19 -0.52 -0.24 0.00 -2.04 0.00 0.00 64.05 61.05 1g4f n THR 78 Cb 0.53 -2.31 0.08 0.00 -1.82 0.00 0.00 70.33 66.81 1g4f n THR 78 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1g4f s ASP 79 N 9.77 4.64 0.29 8.00 1.11 -1.26 -4.80 116.67 134.42 1g4f s ASP 79 Ca 1.05 0.10 -0.01 0.00 0.18 0.00 0.00 52.55 53.86 1g4f s ASP 79 Cb -0.45 -0.68 0.66 0.00 1.07 0.00 0.00 42.92 43.52 1g4f s ASP 79 CO 0.35 -1.67 1.58 0.00 1.18 0.00 0.00 175.17 176.62 1g4f h ALA 80 N -0.51 1.04 0.00 5.23 0.00 -1.84 2.05 119.26 125.22 1g4f h ALA 80 Ca -0.42 0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1g4f h ALA 80 Cb 1.29 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1g4f h ALA 80 CO 0.51 -0.52 0.14 -1.13 0.00 0.00 0.00 179.25 178.25 1g4f n SER 81 N -5.48 0.48 -0.78 0.00 3.41 -1.26 -1.23 113.62 108.76 1g4f n SER 81 Ca 0.20 0.68 0.06 0.00 -0.26 0.00 0.00 58.87 59.55 1g4f n SER 81 Cb 0.67 -0.69 0.17 0.00 -0.26 0.00 0.00 64.21 64.09 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 -2.19 1.56 -4.51 4.04 9.92 0.69 -5.04 116.55 121.03 1g4f n ASP 82 Ca -0.01 -3.46 -0.26 0.00 -0.53 0.00 0.00 54.79 50.52 1g4f n ASP 82 Cb 0.17 -0.48 -0.10 0.00 -0.64 0.00 0.00 41.12 40.07 1g4f n ASP 82 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1g4f s VAL 83 N -2.51 2.79 0.18 2.53 1.01 -0.36 -4.68 120.40 119.36 1g4f s VAL 83 Ca 0.37 -1.93 -0.12 0.00 0.00 0.00 0.00 61.98 60.30 1g4f s VAL 83 Cb 0.37 -2.39 -0.07 0.00 0.00 0.00 0.00 36.38 34.29 1g4f s VAL 83 CO -0.09 -0.17 0.55 -0.54 0.00 0.00 0.00 175.10 174.85 1g4f s LYS 84 N -2.93 3.90 0.30 2.72 3.01 -1.26 -4.77 119.74 120.71 1g4f s LYS 84 Ca 0.25 0.39 -0.30 0.00 -1.01 0.00 0.00 55.97 55.30 1g4f s LYS 84 Cb -0.08 -2.80 -0.11 0.00 -1.01 0.00 0.00 37.83 33.83 1g4f s LYS 84 CO 0.13 0.40 1.60 -2.14 0.51 0.00 0.00 175.35 175.86 1g4f s PRO 85 N -2.35 4.11 0.00 -1.68 0.01 -1.26 -2.23 135.00 131.60 1g4f s PRO 85 Ca 0.42 2.60 0.00 0.00 0.01 0.00 0.00 61.00 64.04 1g4f s PRO 85 Cb -0.13 -3.01 0.00 0.00 0.01 0.00 0.00 34.50 31.37 1g4f s PRO 85 CO 0.20 -0.65 0.07 0.00 0.01 0.00 0.00 177.00 176.63