#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 0.67 -3.23 -0.78 5.02 -1.26 -4.90 118.16 113.68 1g4f n LYS 2 Ca 0.00 0.02 -0.37 0.00 -2.02 0.00 0.00 58.31 55.94 1g4f n LYS 2 Cb 0.00 -2.67 -0.06 0.00 -0.02 0.00 0.00 35.03 32.28 1g4f n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1g4f s ALA 3 N 10.70 3.53 0.94 7.82 0.00 -1.26 -4.77 121.76 138.72 1g4f s ALA 3 Ca 1.13 0.04 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1g4f s ALA 3 Cb -0.62 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1g4f s ALA 3 CO 0.36 0.39 0.00 -1.13 0.00 0.00 0.00 175.76 175.38 1g4f n SER 4 N 1.16 -0.49 -1.13 0.00 3.41 -1.26 -1.27 113.62 114.04 1g4f n SER 4 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1g4f n SER 4 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.71 0.18 -0.94 0.00 2.36 -1.26 -2.96 119.74 116.41 1g4f s LYS 6 Ca 0.00 -0.16 -0.33 0.00 -2.55 0.00 0.00 55.97 52.93 1g4f s LYS 6 Cb 0.00 -1.87 -0.22 0.00 -1.05 0.00 0.00 37.83 34.69 1g4f s LYS 6 CO 0.00 -0.67 2.63 1.47 1.55 0.00 0.00 175.35 180.33 1g4f n LEU 7 N 5.23 0.35 0.31 5.43 -0.00 -1.26 -4.70 117.00 122.36 1g4f n LEU 7 Ca -0.07 0.24 0.19 0.00 -0.00 0.00 0.00 56.01 56.37 1g4f n LEU 7 Cb 0.48 -0.92 0.99 0.00 -0.00 0.00 0.00 43.42 43.98 1g4f n LEU 7 CO 0.10 -0.73 1.10 1.55 -0.00 0.00 0.00 177.39 179.42 1g4f h PRO 8 N 11.66 0.00 -5.05 1.47 0.14 -1.97 -3.44 132.00 134.81 1g4f h PRO 8 Ca -0.06 0.00 -0.57 0.00 0.14 0.00 0.00 66.00 65.52 1g4f h PRO 8 Cb 1.32 0.00 -0.13 0.00 0.14 0.00 0.00 31.00 32.33 1g4f h PRO 8 CO 1.35 0.02 -0.51 0.08 0.14 0.00 0.00 178.00 179.08 1g4f s VAL 9 N -4.07 0.63 -0.01 1.56 1.01 -1.26 -5.06 120.40 113.20 1g4f s VAL 9 Ca -0.03 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 59.96 1g4f s VAL 9 Cb 0.12 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 34.19 1g4f s VAL 9 CO 0.48 0.00 0.94 0.29 0.00 0.00 0.00 175.10 176.82 1g4f n LYS 10 N -0.94 2.41 -2.51 2.72 5.02 -1.26 -4.52 118.16 119.08 1g4f n LYS 10 Ca -0.07 -1.45 -0.02 0.00 -2.02 0.00 0.00 58.31 54.75 1g4f n LYS 10 Cb 0.65 -0.97 0.11 0.00 -0.02 0.00 0.00 35.03 34.80 1g4f n LYS 10 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1g4f n LYS 11 N -0.50 1.24 -3.20 1.97 5.02 -1.26 -4.75 118.16 116.67 1g4f n LYS 11 Ca 0.01 -1.21 -0.39 0.00 -2.02 0.00 0.00 58.31 54.70 1g4f n LYS 11 Cb 0.32 0.41 -0.06 0.00 -0.02 0.00 0.00 35.03 35.69 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 0.08 3.48 -0.50 7.82 0.00 -1.26 -4.98 121.76 126.39 1g4f s ALA 12 Ca 0.08 -0.20 -0.13 0.00 0.00 0.00 0.00 51.96 51.71 1g4f s ALA 12 Cb 0.40 -2.82 0.12 0.00 0.00 0.00 0.00 23.12 20.82 1g4f s ALA 12 CO -0.12 -0.26 0.43 0.99 0.00 0.00 0.00 175.76 176.80 1g4f s THR 13 N 1.21 4.85 0.36 0.00 2.01 -1.26 -0.59 115.64 122.22 1g4f s THR 13 Ca 0.28 -1.53 0.05 0.00 0.31 0.00 0.00 61.69 60.81 1g4f s THR 13 Cb -0.16 -4.10 0.05 0.00 0.01 0.00 0.00 72.50 68.31 1g4f s THR 13 CO 0.11 -0.79 0.45 1.33 -0.69 0.00 0.00 174.62 175.04 1g4f n VAL 14 N 5.12 0.00 -3.87 3.82 0.24 -0.02 -4.12 118.33 119.50 1g4f n VAL 14 Ca -0.12 -1.22 -0.30 0.00 -2.04 0.00 0.00 64.34 60.66 1g4f n VAL 14 Cb 0.41 -0.61 -0.14 0.00 -1.47 0.00 0.00 33.84 32.03 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 -1.31 2.19 -0.19 3.34 1.01 -0.26 -1.49 120.40 123.69 1g4f s VAL 15 Ca 0.34 -3.08 -0.27 0.00 0.00 0.00 0.00 61.98 58.98 1g4f s VAL 15 Cb -0.03 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 1g4f s VAL 15 CO 0.22 -0.84 0.90 -0.47 0.00 0.00 0.00 175.10 174.92 1g4f s TYR 16 N -0.09 3.39 -1.35 5.22 6.14 0.47 -3.65 117.35 127.49 1g4f s TYR 16 Ca 0.17 1.33 -0.06 0.00 0.64 0.00 0.00 57.07 59.16 1g4f s TYR 16 Cb -0.25 -3.10 0.03 0.00 0.42 0.00 0.00 41.96 39.06 1g4f s TYR 16 CO -0.00 -0.32 0.41 1.04 0.64 0.00 0.00 175.55 177.31 1g4f n GLN 17 N 5.60 -3.54 -0.97 4.97 6.02 -1.26 0.69 117.38 128.88 1g4f n GLN 17 Ca 0.07 0.66 0.00 0.00 -0.01 0.00 0.00 57.00 57.72 1g4f n GLN 17 Cb 0.48 -5.39 0.00 0.00 1.02 0.00 0.00 30.24 26.35 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 -1.20 0.88 3.56 1.08 0.00 -1.25 -5.00 105.19 103.26 1g4f n GLY 18 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.03 3.88 0.04 1.61 2.02 0.22 -5.04 118.70 121.39 1g4f s GLU 19 Ca 0.00 -0.37 -0.30 0.00 0.02 0.00 0.00 54.97 54.32 1g4f s GLU 19 Cb 0.00 -3.42 -0.05 0.00 0.10 0.00 0.00 34.13 30.76 1g4f s GLU 19 CO 0.00 -0.03 1.15 1.03 0.02 0.00 0.00 175.26 177.43 1g4f s ARG 20 N 1.26 4.45 0.24 1.61 0.52 -1.26 -0.39 118.95 125.38 1g4f s ARG 20 Ca 0.06 1.69 -0.15 0.00 -0.52 0.00 0.00 55.73 56.80 1g4f s ARG 20 Cb -0.14 -3.39 0.01 0.00 0.52 0.00 0.00 34.95 31.94 1g4f s ARG 20 CO 0.05 -0.23 0.54 0.14 0.02 0.00 0.00 175.30 175.82 1g4f s VAL 21 N 1.15 0.01 -0.43 3.52 -7.23 -0.56 -4.95 120.40 111.91 1g4f s VAL 21 Ca 0.57 -1.20 -0.16 0.00 -1.81 0.00 0.00 61.98 59.38 1g4f s VAL 21 Cb -0.27 -2.03 0.03 0.00 0.56 0.00 0.00 36.38 34.67 1g4f s VAL 21 CO 0.28 -0.03 0.37 -0.75 -0.31 0.00 0.00 175.10 174.66 1g4f s LYS 22 N -3.97 3.01 0.50 4.82 2.47 -1.26 -0.84 119.74 124.48 1g4f s LYS 22 Ca 0.17 -1.00 0.30 0.00 -1.56 0.00 0.00 55.97 53.87 1g4f s LYS 22 Cb -0.02 -4.01 1.39 0.00 -1.46 0.00 0.00 37.83 33.73 1g4f s LYS 22 CO 0.06 -0.86 1.83 0.97 0.16 0.00 0.00 175.35 177.51 1g4f h ILE 23 N 5.69 0.50 0.00 5.43 2.10 -1.22 1.38 117.51 131.40 1g4f h ILE 23 Ca -0.27 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.63 1g4f h ILE 23 Cb 1.11 0.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.21 1g4f h ILE 23 CO 0.79 0.02 0.00 0.00 -1.08 0.00 0.00 178.15 177.88 1g4f n GLN 24 N -4.34 0.15 0.00 2.19 -0.00 -1.26 -2.00 117.38 112.13 1g4f n GLN 24 Ca 0.23 0.16 -0.02 0.00 -0.00 0.00 0.00 57.00 57.37 1g4f n GLN 24 Cb 1.04 -1.50 -0.01 0.00 -0.00 0.00 0.00 30.24 29.77 1g4f n GLN 24 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1g4f n GLU 25 N -1.36 0.13 0.13 2.61 -0.58 0.46 -4.00 120.64 118.03 1g4f n GLU 25 Ca 0.06 0.05 0.18 0.00 -0.42 0.00 0.00 57.16 57.04 1g4f n GLU 25 Cb 0.15 -0.66 0.76 0.00 -0.57 0.00 0.00 31.44 31.12 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 -0.25 0.00 -0.62 3.49 3.64 -1.36 -1.12 116.57 120.34 1g4f h LYS 26 Ca 0.00 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.93 1g4f h LYS 26 Cb 0.25 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 31.73 1g4f h LYS 26 CO 0.00 0.00 -0.70 1.19 -2.27 0.00 0.00 179.45 177.67 1g4f n PHE 27 N -3.98 2.27 -0.39 1.91 3.72 -0.85 -4.81 117.46 115.33 1g4f n PHE 27 Ca 0.05 -2.11 0.32 0.00 -0.05 0.00 0.00 57.45 55.66 1g4f n PHE 27 Cb 0.45 -0.36 0.63 0.00 -0.94 0.00 0.00 39.48 39.26 1g4f n PHE 27 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1g4f h LYS 28 N 1.95 0.17 -1.89 -1.08 1.63 -1.33 0.47 116.57 116.48 1g4f h LYS 28 Ca 0.31 -0.01 -0.71 0.00 -0.85 0.00 0.00 60.65 59.39 1g4f h LYS 28 Cb 1.43 -0.04 -0.32 0.00 -0.60 0.00 0.00 32.23 32.70 1g4f h LYS 28 CO 0.65 0.11 0.48 0.09 -3.45 0.00 0.00 179.45 177.34 1g4f n ASN 29 N -4.50 6.59 -0.19 4.20 3.02 -1.26 -4.91 115.26 118.21 1g4f n ASN 29 Ca 0.31 -3.79 0.02 0.00 -0.03 0.00 0.00 54.58 51.09 1g4f n ASN 29 Cb 1.23 -0.88 -0.01 0.00 -0.61 0.00 0.00 39.78 39.50 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 -0.47 -2.31 3.85 7.41 0.00 0.15 -4.87 105.19 108.95 1g4f n GLY 30 Ca 0.48 -1.43 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.57 3.01 0.64 1.61 -1.94 -1.16 -4.65 119.30 114.24 1g4f s MET 31 Ca 0.00 -1.00 -0.15 0.00 -1.71 0.00 0.00 55.69 52.83 1g4f s MET 31 Cb 0.00 -2.62 -0.01 0.00 2.01 0.00 0.00 34.83 34.21 1g4f s MET 31 CO 0.00 0.41 1.09 -0.51 -0.01 0.00 0.00 175.02 176.00 1g4f s LEU 32 N -3.85 3.40 0.37 -0.03 1.43 -1.26 0.20 118.68 118.93 1g4f s LEU 32 Ca 0.33 1.91 -0.26 0.00 -1.03 0.00 0.00 54.13 55.08 1g4f s LEU 32 Cb -0.08 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.51 1g4f s LEU 32 CO 0.26 -1.49 1.14 -2.28 0.23 0.00 0.00 176.35 174.21 1g4f s HIS 33 N -2.44 3.22 0.00 0.29 5.65 -1.26 -2.67 115.29 118.09 1g4f s HIS 33 Ca 0.65 1.59 0.00 0.00 0.25 0.00 0.00 55.06 57.56 1g4f s HIS 33 Cb -0.19 -3.34 0.00 0.00 -1.18 0.00 0.00 32.58 27.87 1g4f s HIS 33 CO 0.41 -1.05 0.00 0.41 -0.65 0.00 0.00 174.74 173.86 1g4f n GLY 34 N 0.73 0.43 3.73 1.59 0.00 0.13 -4.93 105.19 106.87 1g4f n GLY 34 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1g4f n GLY 34 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1g4f s ASP 35 N -2.11 3.89 -0.04 1.61 1.11 -1.09 -4.58 116.67 115.47 1g4f s ASP 35 Ca 0.00 1.73 -0.01 0.00 0.18 0.00 0.00 52.55 54.46 1g4f s ASP 35 Cb 0.00 -2.39 0.03 0.00 1.07 0.00 0.00 42.92 41.62 1g4f s ASP 35 CO 0.00 -2.41 0.02 -0.54 1.18 0.00 0.00 175.17 173.42 1g4f s LYS 36 N -4.88 0.22 0.00 8.23 1.02 -1.26 -0.28 119.74 122.80 1g4f s LYS 36 Ca 0.63 0.17 -0.00 0.00 0.02 0.00 0.00 55.97 56.78 1g4f s LYS 36 Cb -0.18 -0.55 -0.00 0.00 -0.52 0.00 0.00 37.83 36.58 1g4f s LYS 36 CO 0.57 -0.22 0.00 0.14 -0.92 0.00 0.00 175.35 174.92 1g4f s VAL 37 N 1.48 0.03 -0.07 3.17 -7.23 -0.84 -4.65 120.40 112.28 1g4f s VAL 37 Ca -0.03 -0.21 -0.05 0.00 -1.81 0.00 0.00 61.98 59.87 1g4f s VAL 37 Cb -0.13 -0.08 -0.04 0.00 0.56 0.00 0.00 36.38 36.69 1g4f s VAL 37 CO -0.03 -0.12 0.16 -0.44 -0.31 0.00 0.00 175.10 174.36 1g4f s SER 38 N -0.34 6.38 -0.04 4.85 0.01 -1.24 0.26 113.70 123.58 1g4f s SER 38 Ca -0.04 0.41 -0.01 0.00 1.31 0.00 0.00 55.95 57.62 1g4f s SER 38 Cb -0.02 -2.04 -0.04 0.00 0.21 0.00 0.00 66.02 64.13 1g4f s SER 38 CO -0.00 0.34 0.05 -0.36 0.41 0.00 0.00 173.24 173.68 1g4f s PHE 39 N -1.17 3.26 -0.23 2.43 0.40 -0.99 -1.10 117.98 120.59 1g4f s PHE 39 Ca 0.21 0.23 -0.27 0.00 -0.60 0.00 0.00 56.93 56.49 1g4f s PHE 39 Cb -0.12 -1.77 0.00 0.00 0.51 0.00 0.00 43.02 41.64 1g4f s PHE 39 CO 0.11 0.54 0.95 -0.06 0.70 0.00 0.00 175.22 177.46 1g4f s PHE 40 N -1.06 3.34 0.10 0.36 0.08 -1.26 -0.36 117.98 119.18 1g4f s PHE 40 Ca 0.18 1.34 0.04 0.00 0.12 0.00 0.00 56.93 58.62 1g4f s PHE 40 Cb -0.12 -3.17 -0.04 0.00 -0.57 0.00 0.00 43.02 39.12 1g4f s PHE 40 CO 0.09 -0.43 -0.11 0.00 -0.10 0.00 0.00 175.22 174.67 1g4f s LYS 42 N -2.79 2.72 -0.12 0.00 -2.85 -1.26 -0.63 119.74 114.81 1g4f s LYS 42 Ca 0.06 -0.66 -0.07 0.00 -1.00 0.00 0.00 55.97 54.30 1g4f s LYS 42 Cb -0.03 -2.63 -0.04 0.00 -2.06 0.00 0.00 37.83 33.07 1g4f s LYS 42 CO 0.00 0.61 0.14 1.21 0.10 0.00 0.00 175.35 177.41 1g4f s ASN 43 N -1.69 6.39 0.09 0.03 3.84 0.23 -4.96 114.94 118.88 1g4f s ASN 43 Ca 0.21 0.47 0.18 0.00 0.21 0.00 0.00 52.86 53.92 1g4f s ASN 43 Cb -0.12 -2.07 -0.10 0.00 -0.55 0.00 0.00 41.25 38.41 1g4f s ASN 43 CO 0.12 0.41 0.89 0.11 -2.79 0.00 0.00 177.10 175.84 1g4f h LYS 44 N 4.98 0.00 0.00 0.43 1.79 -1.97 -1.96 116.57 119.84 1g4f h LYS 44 Ca -0.55 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.92 1g4f h LYS 44 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1g4f h LYS 44 CO 0.58 0.25 -0.78 0.93 -1.08 0.00 0.00 179.45 179.35 1g4f h GLU 45 N 0.00 0.00 0.00 3.15 5.08 -1.96 -3.35 114.58 117.50 1g4f h GLU 45 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1g4f h GLU 45 Cb 1.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1g4f h GLU 45 CO 0.04 0.00 -1.36 1.63 -1.00 0.00 0.00 179.01 178.32 1g4f n LYS 46 N -2.72 0.94 -2.13 2.33 5.02 -1.25 -4.99 118.16 115.36 1g4f n LYS 46 Ca 0.01 -0.09 -0.15 0.00 -2.02 0.00 0.00 58.31 56.06 1g4f n LYS 46 Cb 0.54 -1.25 -0.02 0.00 -0.02 0.00 0.00 35.03 34.28 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 -1.79 -1.20 -4.32 1.97 5.02 -0.74 -4.98 118.16 112.11 1g4f n LYS 47 Ca -0.01 0.81 -0.19 0.00 -2.02 0.00 0.00 58.31 56.89 1g4f n LYS 47 Cb 0.30 -5.13 -0.09 0.00 -0.02 0.00 0.00 35.03 30.09 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 -3.38 4.25 0.25 0.00 1.04 -1.01 0.78 113.70 115.62 1g4f s SER 49 Ca 0.37 -1.05 -0.22 0.00 0.48 0.00 0.00 55.95 55.53 1g4f s SER 49 Cb 0.04 -0.51 0.03 0.00 0.10 0.00 0.00 66.02 65.68 1g4f s SER 49 CO 0.21 -0.36 0.72 -0.72 0.98 0.00 0.00 173.24 174.07 1g4f s TYR 50 N -2.56 -0.24 -0.04 5.02 1.13 0.19 -1.92 117.35 118.93 1g4f s TYR 50 Ca 0.37 -0.17 -0.04 0.00 -1.41 0.00 0.00 57.07 55.83 1g4f s TYR 50 Cb 0.02 0.68 -0.04 0.00 -1.10 0.00 0.00 41.96 41.52 1g4f s TYR 50 CO 0.20 -1.14 0.17 0.95 -2.51 0.00 0.00 175.55 173.23 1g4f s THR 51 N -3.83 5.44 -0.70 -3.49 -4.23 -1.26 -1.17 115.64 106.39 1g4f s THR 51 Ca 0.10 -0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.55 1g4f s THR 51 Cb -0.05 -3.49 0.17 0.00 1.34 0.00 0.00 72.50 70.47 1g4f s THR 51 CO 0.03 0.41 0.52 -1.61 -0.54 0.00 0.00 174.62 173.43 1g4f s GLU 52 N -1.69 2.62 0.36 3.99 0.41 0.52 -4.79 118.70 120.13 1g4f s GLU 52 Ca 0.24 -3.01 -0.23 0.00 -0.41 0.00 0.00 54.97 51.56 1g4f s GLU 52 Cb -0.12 -3.62 -0.15 0.00 -1.78 0.00 0.00 34.13 28.45 1g4f s GLU 52 CO 0.15 -1.22 0.26 -0.25 -0.49 0.00 0.00 175.26 173.70 1g4f n ASP 53 N 2.63 -2.18 -4.18 -0.19 9.92 -1.26 -2.35 116.55 118.94 1g4f n ASP 53 Ca 0.15 0.89 -0.20 0.00 -0.53 0.00 0.00 54.79 55.10 1g4f n ASP 53 Cb 0.36 -0.94 -0.09 0.00 -0.64 0.00 0.00 41.12 39.80 1g4f n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1g4f s ALA 54 N -1.50 2.18 0.08 2.24 0.00 0.74 -4.83 121.76 120.67 1g4f s ALA 54 Ca 0.61 -1.74 0.02 0.00 0.00 0.00 0.00 51.96 50.85 1g4f s ALA 54 Cb -0.69 0.95 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 1g4f s ALA 54 CO 0.61 -0.42 -0.07 -1.14 0.00 0.00 0.00 175.76 174.73 1g4f s GLN 55 N -3.86 0.72 0.06 0.00 0.74 -1.26 -1.98 119.66 114.08 1g4f s GLN 55 Ca 0.34 -1.11 0.06 0.00 0.05 0.00 0.00 55.36 54.70 1g4f s GLN 55 Cb 0.06 -0.25 -0.04 0.00 1.10 0.00 0.00 33.01 33.88 1g4f s GLN 55 CO 0.16 0.01 -0.09 0.00 -0.55 0.00 0.00 175.29 174.82 1g4f s ILE 57 N -1.11 0.00 -0.88 0.00 -1.09 0.13 0.18 121.20 118.43 1g4f s ILE 57 Ca 0.19 -1.99 -0.30 0.00 -2.23 0.00 0.00 60.65 56.32 1g4f s ILE 57 Cb -0.11 -2.50 -0.20 0.00 -1.58 0.00 0.00 42.46 38.07 1g4f s ILE 57 CO 0.11 0.00 2.44 -0.67 -1.23 0.00 0.00 174.94 175.59 1g4f n ASP 58 N -0.96 0.30 -1.72 3.58 2.03 -1.24 -0.06 116.55 118.49 1g4f n ASP 58 Ca 0.05 0.20 -0.04 0.00 0.52 0.00 0.00 54.79 55.53 1g4f n ASP 58 Cb 0.64 -0.85 -0.01 0.00 -0.72 0.00 0.00 41.12 40.18 1g4f n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1g4f n GLY 59 N 6.06 -0.04 3.02 0.27 0.00 0.39 -4.83 105.19 110.06 1g4f n GLY 59 Ca 0.60 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.51 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 0.35 -0.27 2.61 2.01 0.92 -4.74 115.64 114.81 1g4f s THR 60 Ca 0.00 -0.96 -0.24 0.00 0.31 0.00 0.00 61.69 60.80 1g4f s THR 60 Cb 0.00 -0.44 0.07 0.00 0.01 0.00 0.00 72.50 72.14 1g4f s THR 60 CO 0.00 -0.41 0.73 -0.51 -0.69 0.00 0.00 174.62 173.74 1g4f s ILE 61 N -1.34 0.00 -0.32 1.82 2.07 -1.26 0.19 121.20 122.37 1g4f s ILE 61 Ca -0.12 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.04 1g4f s ILE 61 Cb -0.10 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.51 1g4f s ILE 61 CO -0.00 0.00 0.11 -1.61 -1.91 0.00 0.00 174.94 171.53 1g4f s GLU 62 N 0.46 3.01 0.30 3.50 8.01 -1.26 -5.05 118.70 127.66 1g4f s GLU 62 Ca -0.01 -0.92 -0.26 0.00 0.01 0.00 0.00 54.97 53.79 1g4f s GLU 62 Cb -0.05 -3.46 -0.10 0.00 -4.31 0.00 0.00 34.13 26.21 1g4f s GLU 62 CO -0.00 -0.51 0.92 0.54 0.01 0.00 0.00 175.26 176.21 1g4f s VAL 63 N 1.51 4.22 0.24 2.63 0.11 -1.26 -4.63 120.40 123.22 1g4f s VAL 63 Ca 0.02 1.82 -0.31 0.00 -2.93 0.00 0.00 61.98 60.57 1g4f s VAL 63 Cb -0.18 -4.05 -0.12 0.00 -1.53 0.00 0.00 36.38 30.51 1g4f s VAL 63 CO 0.04 0.21 1.66 -2.16 -3.33 0.00 0.00 175.10 171.52 1g4f s PRO 64 N -1.89 4.13 0.45 1.54 0.04 -1.26 -4.87 135.00 133.15 1g4f s PRO 64 Ca 0.48 2.57 0.20 0.00 0.04 0.00 0.00 61.00 64.29 1g4f s PRO 64 Cb -0.20 -3.06 1.16 0.00 0.04 0.00 0.00 34.50 32.44 1g4f s PRO 64 CO 0.25 -0.69 1.89 -0.22 0.04 0.00 0.00 177.00 178.27 1g4f h LYS 65 N 6.04 0.30 -0.17 4.56 3.11 -2.00 0.18 116.57 128.59 1g4f h LYS 65 Ca -0.45 -0.02 0.05 0.00 -2.81 0.00 0.00 60.65 57.43 1g4f h LYS 65 Cb 1.21 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.36 1g4f h LYS 65 CO 0.89 0.20 0.27 0.00 -2.81 0.00 0.00 179.45 178.00 1g4f s PHE 67 N -4.45 3.03 -0.30 0.00 5.36 0.62 -4.77 117.98 117.47 1g4f s PHE 67 Ca -0.04 1.53 -0.11 0.00 -0.96 0.00 0.00 56.93 57.35 1g4f s PHE 67 Cb 0.13 -3.01 0.18 0.00 -0.34 0.00 0.00 43.02 39.99 1g4f s PHE 67 CO 0.47 -0.94 1.02 0.21 -1.46 0.00 0.00 175.22 174.52 1g4f s LYS 68 N -3.76 0.17 0.13 10.12 2.20 -1.26 -5.00 119.74 122.34 1g4f s LYS 68 Ca 0.65 0.20 -0.34 0.00 -0.36 0.00 0.00 55.97 56.11 1g4f s LYS 68 Cb -0.16 0.10 -0.14 0.00 -1.51 0.00 0.00 37.83 36.12 1g4f s LYS 68 CO 0.30 -0.29 1.59 -0.85 -0.36 0.00 0.00 175.35 175.73 1g4f n GLU 69 N 5.20 2.05 -3.73 4.03 0.28 -1.26 -4.95 120.64 122.27 1g4f n GLU 69 Ca 0.06 0.74 -0.37 0.00 -0.16 0.00 0.00 57.16 57.43 1g4f n GLU 69 Cb 0.57 -2.51 -0.11 0.00 1.43 0.00 0.00 31.44 30.82 1g4f n GLU 69 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1g4f s HIS 70 N 1.20 3.19 0.00 -1.84 3.76 -1.26 -5.08 115.29 115.26 1g4f s HIS 70 Ca 0.81 -0.06 0.00 0.00 -0.15 0.00 0.00 55.06 55.66 1g4f s HIS 70 Cb -0.71 -2.26 0.00 0.00 1.11 0.00 0.00 32.58 30.72 1g4f s HIS 70 CO 0.40 -0.14 0.00 -1.13 -0.85 0.00 0.00 174.74 173.02 1g4f n SER 71 N 4.64 0.00 -4.58 1.40 3.41 -1.26 -4.69 113.62 112.54 1g4f n SER 71 Ca -0.15 0.00 -0.60 0.00 -0.26 0.00 0.00 58.87 57.85 1g4f n SER 71 Cb 0.52 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 1g4f n SER 71 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1g4f n SER 72 N 0.00 0.57 -4.71 4.04 2.88 -1.26 -4.88 113.62 110.27 1g4f n SER 72 Ca 0.00 1.16 -0.39 0.00 -1.33 0.00 0.00 58.87 58.31 1g4f n SER 72 Cb 0.00 -0.95 -0.06 0.00 -0.75 0.00 0.00 64.21 62.45 1g4f n SER 72 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1g4f s LEU 73 N 0.91 4.26 0.00 2.46 1.43 -1.26 -5.02 118.68 121.46 1g4f s LEU 73 Ca 0.94 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.96 1g4f s LEU 73 Cb -1.28 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 42.11 1g4f s LEU 73 CO 0.62 -0.08 0.16 0.00 0.23 0.00 0.00 176.35 177.28 1g4f n ALA 74 N 3.97 0.00 0.00 4.21 0.00 -1.26 -4.89 120.51 122.53 1g4f n ALA 74 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1g4f n ALA 74 Cb 0.51 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1g4f n ALA 74 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1g4f n PHE 75 N -0.27 0.00 -2.68 0.00 3.72 -1.26 -5.00 117.46 111.96 1g4f n PHE 75 Ca 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.36 1g4f n PHE 75 Cb 0.00 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 38.66 1g4f n PHE 75 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1g4f n TRP 76 N -1.28 -2.22 0.28 1.38 8.01 -1.26 -4.95 117.44 117.40 1g4f n TRP 76 Ca 0.00 -1.78 0.16 0.00 -1.31 0.00 0.00 57.50 54.58 1g4f n TRP 76 Cb 0.00 1.57 0.78 0.00 -2.01 0.00 0.00 31.31 31.65 1g4f n TRP 76 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.69 178.25 1g4f h LYS 77 N 1.47 0.00 -4.73 -0.99 2.10 -1.96 -3.48 116.57 108.97 1g4f h LYS 77 Ca -0.36 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.29 1g4f h LYS 77 Cb 1.30 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.54 1g4f h LYS 77 CO -0.13 0.06 -1.26 2.41 -2.00 0.00 0.00 179.45 178.54 1g4f n THR 78 N -3.28-11.35 -3.11 0.07 -1.04 -1.26 -4.97 114.28 89.34 1g4f n THR 78 Ca -0.01 2.21 -0.32 0.00 -2.04 0.00 0.00 64.05 63.89 1g4f n THR 78 Cb 0.26 -6.24 -0.06 0.00 -1.82 0.00 0.00 70.33 62.47 1g4f n THR 78 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1g4f s ASP 79 N -0.78 6.74 0.51 8.00 -4.77 -1.26 -4.87 116.67 120.24 1g4f s ASP 79 Ca -0.19 1.26 0.46 0.00 -3.30 0.00 0.00 52.55 50.78 1g4f s ASP 79 Cb 0.01 -2.36 1.59 0.00 -1.09 0.00 0.00 42.92 41.07 1g4f s ASP 79 CO 0.69 -0.23 1.43 0.00 0.70 0.00 0.00 175.17 177.76 1g4f n ALA 80 N -0.48 1.74 0.10 2.11 0.00 -1.26 0.12 120.51 122.84 1g4f n ALA 80 Ca 0.03 0.61 0.20 0.00 0.00 0.00 0.00 53.44 54.28 1g4f n ALA 80 Cb 0.53 -1.05 0.74 0.00 0.00 0.00 0.00 19.45 19.68 1g4f n ALA 80 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1g4f h SER 81 N 0.00 0.00 -0.03 0.00 4.64 -1.91 -2.17 113.55 114.09 1g4f h SER 81 Ca 0.87 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 62.05 1g4f h SER 81 Cb 3.47 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 65.29 1g4f h SER 81 CO -0.02 0.00 -0.87 0.47 -0.87 0.00 0.00 176.83 175.54 1g4f n ASP 82 N -3.67 1.32 -4.95 4.97 8.00 0.32 -5.03 116.55 117.50 1g4f n ASP 82 Ca 0.07 -2.64 -0.23 0.00 0.71 0.00 0.00 54.79 52.71 1g4f n ASP 82 Cb 0.61 -0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 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 -1.25 5.20 0.11 2.53 1.01 -0.81 -4.89 120.40 122.30 1g4f s VAL 83 Ca 0.35 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 1g4f s VAL 83 Cb 0.38 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.92 1g4f s VAL 83 CO -0.13 -0.26 1.00 -0.75 0.00 0.00 0.00 175.10 174.96 1g4f s LYS 84 N -3.75 4.65 0.23 2.72 2.20 -1.26 -4.77 119.74 119.76 1g4f s LYS 84 Ca 0.34 1.52 -0.31 0.00 -0.36 0.00 0.00 55.97 57.16 1g4f s LYS 84 Cb -0.09 -3.36 -0.12 0.00 -1.51 0.00 0.00 37.83 32.74 1g4f s LYS 84 CO 0.28 0.13 1.69 -1.25 -0.36 0.00 0.00 175.35 175.84 1g4f s PRO 85 N 0.10 4.12 0.00 4.03 0.04 -1.26 -2.40 135.00 139.63 1g4f s PRO 85 Ca 0.49 2.60 0.00 0.00 0.04 0.00 0.00 61.00 64.13 1g4f s PRO 85 Cb -0.25 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1g4f s PRO 85 CO 0.31 -0.72 0.05 0.00 0.04 0.00 0.00 177.00 176.68