#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g4f s LYS 2 N 0.00 2.17 0.14 -0.78 1.02 -1.26 -4.86 119.74 116.18 1g4f s LYS 2 Ca 0.00 -3.03 -0.23 0.00 0.02 0.00 0.00 55.97 52.74 1g4f s LYS 2 Cb 0.00 -3.18 -0.08 0.00 -0.52 0.00 0.00 37.83 34.06 1g4f s LYS 2 CO 0.00 -1.25 0.70 0.00 -0.92 0.00 0.00 175.35 173.88 1g4f s ALA 3 N -1.00 3.49 1.09 5.17 0.00 -1.26 -4.61 121.76 124.63 1g4f s ALA 3 Ca 0.23 0.23 -0.06 0.00 0.00 0.00 0.00 51.96 52.37 1g4f s ALA 3 Cb -0.09 -2.83 0.09 0.00 0.00 0.00 0.00 23.12 20.28 1g4f s ALA 3 CO -0.13 0.33 0.28 0.43 0.00 0.00 0.00 175.76 176.68 1g4f n SER 4 N 1.51 -1.72 0.00 0.00 7.64 -1.25 -2.36 113.62 117.43 1g4f n SER 4 Ca -0.07 -0.54 0.00 0.00 1.01 0.00 0.00 58.87 59.27 1g4f n SER 4 Cb 0.50 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1g4f n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g4f s LYS 6 N 2.22 0.25 -0.86 0.00 1.02 -1.26 -3.43 119.74 117.68 1g4f s LYS 6 Ca 0.00 -0.35 -0.24 0.00 0.02 0.00 0.00 55.97 55.40 1g4f s LYS 6 Cb 0.00 -1.68 -0.20 0.00 -0.52 0.00 0.00 37.83 35.43 1g4f s LYS 6 CO 0.00 -0.80 2.24 1.47 -0.92 0.00 0.00 175.35 177.34 1g4f n LEU 7 N 5.20 0.02 0.29 3.17 -0.00 -1.26 -4.70 117.00 119.72 1g4f n LEU 7 Ca -0.07 0.06 0.17 0.00 -0.00 0.00 0.00 56.01 56.18 1g4f n LEU 7 Cb 0.46 -0.74 0.86 0.00 -0.00 0.00 0.00 43.42 44.00 1g4f n LEU 7 CO 0.09 -0.71 1.04 1.55 -0.00 0.00 0.00 177.39 179.36 1g4f h PRO 8 N 10.15 0.00 -4.45 1.47 0.14 -1.97 -3.44 132.00 133.90 1g4f h PRO 8 Ca -0.03 0.00 -0.19 0.00 0.14 0.00 0.00 66.00 65.92 1g4f h PRO 8 Cb 1.10 0.00 -0.16 0.00 0.14 0.00 0.00 31.00 32.08 1g4f h PRO 8 CO 1.22 0.05 -0.70 0.08 0.14 0.00 0.00 178.00 178.79 1g4f s VAL 9 N -4.01 0.47 -1.12 1.56 1.01 -1.26 -5.04 120.40 112.01 1g4f s VAL 9 Ca -0.02 -1.73 0.16 0.00 0.00 0.00 0.00 61.98 60.39 1g4f s VAL 9 Cb 0.12 -1.41 0.53 0.00 0.00 0.00 0.00 36.38 35.62 1g4f s VAL 9 CO 0.52 -0.84 1.45 0.29 0.00 0.00 0.00 175.10 176.52 1g4f n LYS 10 N 0.29 3.11 -2.15 2.72 5.02 -1.26 -4.24 118.16 121.66 1g4f n LYS 10 Ca -0.15 -2.54 -0.02 0.00 -2.02 0.00 0.00 58.31 53.58 1g4f n LYS 10 Cb 0.60 -1.60 0.05 0.00 -0.02 0.00 0.00 35.03 34.06 1g4f n LYS 10 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1g4f n LYS 11 N 0.82 0.94 -3.13 1.97 2.85 -1.26 -4.69 118.16 115.65 1g4f n LYS 11 Ca 0.20 -1.76 -0.40 0.00 -1.05 0.00 0.00 58.31 55.29 1g4f n LYS 11 Cb 0.67 -0.05 -0.07 0.00 -0.65 0.00 0.00 35.03 34.93 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 -0.78 3.60 -0.36 0.58 0.00 -1.26 -4.97 121.76 118.57 1g4f s ALA 12 Ca 0.14 -0.45 -0.13 0.00 0.00 0.00 0.00 51.96 51.52 1g4f s ALA 12 Cb 0.30 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.43 1g4f s ALA 12 CO -0.08 -0.77 0.24 0.99 0.00 0.00 0.00 175.76 176.13 1g4f s THR 13 N 2.42 5.07 0.29 0.00 2.01 -1.26 -0.26 115.64 123.90 1g4f s THR 13 Ca 0.25 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 61.80 1g4f s THR 13 Cb -0.16 -3.69 -0.00 0.00 0.01 0.00 0.00 72.50 68.66 1g4f s THR 13 CO 0.09 -0.11 0.03 1.33 -0.69 0.00 0.00 174.62 175.26 1g4f n VAL 14 N 5.09 0.00 -3.87 3.82 0.24 -0.58 -4.16 118.33 118.86 1g4f n VAL 14 Ca -0.12 -1.45 -0.33 0.00 -2.04 0.00 0.00 64.34 60.40 1g4f n VAL 14 Cb 0.48 0.35 -0.13 0.00 -1.47 0.00 0.00 33.84 33.08 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 -2.21 2.95 -0.10 3.34 1.01 -0.46 -1.41 120.40 123.53 1g4f s VAL 15 Ca 0.04 -2.92 -0.18 0.00 0.00 0.00 0.00 61.98 58.92 1g4f s VAL 15 Cb 0.00 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 1g4f s VAL 15 CO 0.03 -0.78 0.47 -0.47 0.00 0.00 0.00 175.10 174.34 1g4f s TYR 16 N 0.12 3.55 -1.07 5.22 5.04 0.15 -3.44 117.35 126.92 1g4f s TYR 16 Ca 0.15 0.91 0.00 0.00 -2.44 0.00 0.00 57.07 55.69 1g4f s TYR 16 Cb -0.23 -2.51 0.00 0.00 0.35 0.00 0.00 41.96 39.57 1g4f s TYR 16 CO -0.03 0.25 0.00 1.04 -1.34 0.00 0.00 175.55 175.47 1g4f n GLN 17 N 3.35 -2.18 -1.04 4.97 1.13 -1.26 0.90 117.38 123.24 1g4f n GLN 17 Ca -0.08 0.60 -0.01 0.00 -1.94 0.00 0.00 57.00 55.57 1g4f n GLN 17 Cb 0.52 -5.19 -0.01 0.00 0.11 0.00 0.00 30.24 25.67 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 -0.78 0.50 3.07 1.08 0.00 -1.26 -5.02 105.19 102.78 1g4f n GLY 18 Ca -0.15 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.01 2.51 -0.06 1.61 0.41 0.26 -5.08 118.70 116.34 1g4f s GLU 19 Ca 0.00 -0.65 -0.30 0.00 -0.41 0.00 0.00 54.97 53.61 1g4f s GLU 19 Cb 0.00 -2.19 -0.03 0.00 -1.78 0.00 0.00 34.13 30.13 1g4f s GLU 19 CO 0.00 -0.16 1.17 1.03 -0.49 0.00 0.00 175.26 176.81 1g4f s ARG 20 N 1.23 4.36 0.14 1.61 0.52 -1.26 -0.67 118.95 124.88 1g4f s ARG 20 Ca 0.00 1.63 -0.22 0.00 -0.52 0.00 0.00 55.73 56.63 1g4f s ARG 20 Cb -0.14 -3.55 0.06 0.00 0.52 0.00 0.00 34.95 31.84 1g4f s ARG 20 CO -0.08 -0.42 0.55 0.14 0.02 0.00 0.00 175.30 175.51 1g4f s VAL 21 N 2.17 0.02 -0.39 3.52 -7.23 -0.50 -4.97 120.40 113.03 1g4f s VAL 21 Ca 0.55 -0.15 -0.25 0.00 -1.81 0.00 0.00 61.98 60.31 1g4f s VAL 21 Cb -0.24 -1.04 0.02 0.00 0.56 0.00 0.00 36.38 35.68 1g4f s VAL 21 CO 0.21 -0.08 0.91 -0.75 -0.31 0.00 0.00 175.10 175.08 1g4f s LYS 22 N -3.61 3.77 0.57 4.82 2.47 -1.26 -1.53 119.74 124.98 1g4f s LYS 22 Ca 0.01 0.47 0.30 0.00 -1.56 0.00 0.00 55.97 55.18 1g4f s LYS 22 Cb -0.00 -3.83 1.45 0.00 -1.46 0.00 0.00 37.83 33.99 1g4f s LYS 22 CO -0.11 -0.99 1.87 0.97 0.16 0.00 0.00 175.35 177.24 1g4f h ILE 23 N 5.87 0.41 0.00 5.43 2.10 -0.99 0.74 117.51 131.06 1g4f h ILE 23 Ca -0.23 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.71 1g4f h ILE 23 Cb 1.08 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 37.38 1g4f h ILE 23 CO 0.98 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 178.05 1g4f n GLN 24 N -3.87 0.10 -0.00 2.19 -0.00 -1.26 -1.35 117.38 113.18 1g4f n GLN 24 Ca 0.12 0.21 -0.04 0.00 -0.00 0.00 0.00 57.00 57.29 1g4f n GLN 24 Cb 0.80 -1.50 -0.01 0.00 -0.00 0.00 0.00 30.24 29.53 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 -1.40 0.18 0.29 2.61 1.02 0.25 -4.04 120.64 119.55 1g4f n GLU 25 Ca 0.05 0.07 0.19 0.00 -0.02 0.00 0.00 57.16 57.45 1g4f n GLU 25 Cb 0.14 -0.81 0.91 0.00 -0.02 0.00 0.00 31.44 31.66 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 -0.33 0.00 -1.41 3.49 3.64 -1.56 -3.05 116.57 117.35 1g4f h LYS 26 Ca -0.03 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.88 1g4f h LYS 26 Cb 0.44 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.85 1g4f h LYS 26 CO -0.02 0.00 -0.98 1.19 -2.27 0.00 0.00 179.45 177.37 1g4f n PHE 27 N -2.97 2.10 0.19 1.91 3.72 -0.46 -4.86 117.46 117.10 1g4f n PHE 27 Ca -0.01 -3.13 0.05 0.00 -0.05 0.00 0.00 57.45 54.30 1g4f n PHE 27 Cb 0.18 -0.29 0.39 0.00 -0.94 0.00 0.00 39.48 38.82 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 2.85 0.00 -0.98 -1.08 3.11 -1.63 -2.87 116.57 115.97 1g4f h LYS 28 Ca 0.08 0.00 -0.63 0.00 -2.81 0.00 0.00 60.65 57.29 1g4f h LYS 28 Cb 1.00 0.00 -0.30 0.00 -1.00 0.00 0.00 32.23 31.94 1g4f h LYS 28 CO 0.65 0.36 0.76 0.09 -2.81 0.00 0.00 179.45 178.50 1g4f n ASN 29 N -3.83 6.70 0.00 4.20 5.03 -1.26 -4.85 115.26 121.25 1g4f n ASN 29 Ca -0.01 -3.75 0.00 0.00 0.87 0.00 0.00 54.58 51.69 1g4f n ASN 29 Cb 0.43 -0.92 0.00 0.00 -1.02 0.00 0.00 39.78 38.27 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 -0.96 -0.33 3.92 7.41 0.00 -1.08 -4.87 105.19 109.27 1g4f n GLY 30 Ca 0.61 -1.71 -0.20 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.41 3.05 0.55 1.61 -1.94 -1.22 -4.68 119.30 114.26 1g4f s MET 31 Ca 0.00 -1.04 -0.17 0.00 -1.71 0.00 0.00 55.69 52.76 1g4f s MET 31 Cb 0.00 -2.70 -0.06 0.00 2.01 0.00 0.00 34.83 34.08 1g4f s MET 31 CO 0.00 0.20 1.04 -0.51 -0.01 0.00 0.00 175.02 175.74 1g4f s LEU 32 N -4.03 3.62 0.11 -0.03 1.02 -1.26 0.14 118.68 118.26 1g4f s LEU 32 Ca 0.40 1.82 -0.31 0.00 0.02 0.00 0.00 54.13 56.06 1g4f s LEU 32 Cb -0.08 -4.54 -0.08 0.00 0.02 0.00 0.00 46.19 41.51 1g4f s LEU 32 CO 0.28 -0.97 1.45 -2.28 0.02 0.00 0.00 176.35 174.85 1g4f s HIS 33 N -2.33 3.12 0.00 0.29 5.65 -1.25 -1.93 115.29 118.85 1g4f s HIS 33 Ca 0.64 0.82 0.00 0.00 0.25 0.00 0.00 55.06 56.77 1g4f s HIS 33 Cb -0.15 -3.76 0.00 0.00 -1.18 0.00 0.00 32.58 27.49 1g4f s HIS 33 CO 0.31 -2.74 0.00 0.41 -0.65 0.00 0.00 174.74 172.07 1g4f n GLY 34 N 3.60 2.43 3.53 1.59 0.00 0.29 -4.93 105.19 111.69 1g4f n GLY 34 Ca 0.12 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.68 1g4f n GLY 34 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1g4f n ASP 35 N 0.00 0.49 -4.32 1.61 2.03 -0.81 -4.18 116.55 111.37 1g4f n ASP 35 Ca 0.00 1.16 -0.33 0.00 0.52 0.00 0.00 54.79 56.14 1g4f n ASP 35 Cb 0.00 -1.17 -0.15 0.00 -0.72 0.00 0.00 41.12 39.08 1g4f n ASP 35 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1g4f s LYS 36 N -1.28 3.28 -0.01 -0.67 1.02 -1.26 -0.29 119.74 120.53 1g4f s LYS 36 Ca 0.62 -0.74 0.01 0.00 0.02 0.00 0.00 55.97 55.87 1g4f s LYS 36 Cb -0.79 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 33.98 1g4f s LYS 36 CO 0.58 0.19 -0.02 0.14 -0.92 0.00 0.00 175.35 175.32 1g4f s VAL 37 N 0.39 0.18 0.01 3.17 -7.23 -0.84 -4.52 120.40 111.56 1g4f s VAL 37 Ca -0.13 -0.07 -0.03 0.00 -1.81 0.00 0.00 61.98 59.95 1g4f s VAL 37 Cb -0.16 -0.18 -0.04 0.00 0.56 0.00 0.00 36.38 36.55 1g4f s VAL 37 CO 0.06 0.07 0.20 -0.44 -0.31 0.00 0.00 175.10 174.68 1g4f s SER 38 N 0.13 6.38 -0.06 4.85 0.01 -1.22 0.26 113.70 124.05 1g4f s SER 38 Ca -0.01 0.36 -0.01 0.00 1.31 0.00 0.00 55.95 57.60 1g4f s SER 38 Cb -0.03 -2.00 -0.03 0.00 0.21 0.00 0.00 66.02 64.16 1g4f s SER 38 CO -0.00 0.24 -0.00 -0.36 0.41 0.00 0.00 173.24 173.52 1g4f s PHE 39 N -1.37 3.12 -0.07 2.43 0.08 -0.96 -1.35 117.98 119.87 1g4f s PHE 39 Ca 0.29 0.15 -0.30 0.00 0.12 0.00 0.00 56.93 57.20 1g4f s PHE 39 Cb -0.13 -1.75 -0.02 0.00 -0.57 0.00 0.00 43.02 40.55 1g4f s PHE 39 CO 0.20 0.46 1.02 -0.06 -0.10 0.00 0.00 175.22 176.74 1g4f s PHE 40 N -0.93 3.53 0.14 0.36 0.08 -1.26 -0.01 117.98 119.90 1g4f s PHE 40 Ca 0.15 1.59 0.02 0.00 0.12 0.00 0.00 56.93 58.81 1g4f s PHE 40 Cb -0.11 -3.19 -0.04 0.00 -0.57 0.00 0.00 43.02 39.10 1g4f s PHE 40 CO 0.04 -0.27 -0.02 0.00 -0.10 0.00 0.00 175.22 174.88 1g4f s LYS 42 N -3.89 3.06 -0.23 0.00 -2.85 -1.26 -0.10 119.74 114.47 1g4f s LYS 42 Ca 0.19 -0.61 -0.04 0.00 -1.00 0.00 0.00 55.97 54.51 1g4f s LYS 42 Cb 0.06 -2.83 -0.01 0.00 -2.06 0.00 0.00 37.83 32.99 1g4f s LYS 42 CO 0.00 0.58 -0.03 1.21 0.10 0.00 0.00 175.35 177.21 1g4f s ASN 43 N -2.41 4.39 0.24 0.03 3.84 0.63 -4.92 114.94 116.73 1g4f s ASN 43 Ca 0.31 -0.41 0.02 0.00 0.21 0.00 0.00 52.86 52.99 1g4f s ASN 43 Cb -0.12 -1.75 0.26 0.00 -0.55 0.00 0.00 41.25 39.08 1g4f s ASN 43 CO 0.24 -0.03 1.59 0.11 -2.79 0.00 0.00 177.10 176.21 1g4f h LYS 44 N 8.12 0.37 0.68 0.43 1.57 -1.94 0.92 116.57 126.72 1g4f h LYS 44 Ca -0.41 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.13 1g4f h LYS 44 Cb 1.16 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.49 1g4f h LYS 44 CO 0.60 0.79 -0.33 1.49 -0.57 0.00 0.00 179.45 181.44 1g4f h GLU 45 N 0.29 -0.88 -0.00 3.15 4.57 -1.95 -3.18 114.58 116.58 1g4f h GLU 45 Ca 0.01 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1g4f h GLU 45 Cb 1.00 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1g4f h GLU 45 CO 0.09 -0.57 -0.16 1.63 -1.18 0.00 0.00 179.01 178.82 1g4f n LYS 46 N -5.38 0.43 -2.33 1.92 5.02 -1.24 -4.91 118.16 111.65 1g4f n LYS 46 Ca -0.12 -0.15 -0.21 0.00 -2.02 0.00 0.00 58.31 55.82 1g4f n LYS 46 Cb 0.36 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.86 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 -1.16 -1.68 -4.45 1.97 5.02 0.32 -4.97 118.16 113.20 1g4f n LYS 47 Ca 0.11 1.02 -0.22 0.00 -2.02 0.00 0.00 58.31 57.21 1g4f n LYS 47 Cb 0.30 -5.67 -0.10 0.00 -0.02 0.00 0.00 35.03 29.54 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 -3.50 5.49 0.06 0.00 1.04 -0.91 0.23 113.70 116.12 1g4f s SER 49 Ca 0.35 -0.43 -0.02 0.00 0.48 0.00 0.00 55.95 56.33 1g4f s SER 49 Cb 0.08 -0.97 0.01 0.00 0.10 0.00 0.00 66.02 65.24 1g4f s SER 49 CO 0.15 -0.45 0.11 0.00 0.98 0.00 0.00 173.24 174.03 1g4f n TYR 50 N -1.52 -1.12 -4.61 5.02 0.18 0.86 -1.40 117.16 114.57 1g4f n TYR 50 Ca 0.00 -0.29 -0.31 0.00 1.88 0.00 0.00 57.90 59.19 1g4f n TYR 50 Cb 0.59 0.13 -0.12 0.00 -0.38 0.00 0.00 39.34 39.56 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 -2.81 2.93 -0.72 -3.48 -4.23 -1.26 -1.00 115.64 105.06 1g4f s THR 51 Ca 0.03 -1.14 0.02 0.00 -1.18 0.00 0.00 61.69 59.42 1g4f s THR 51 Cb -0.01 -2.25 0.18 0.00 1.34 0.00 0.00 72.50 71.76 1g4f s THR 51 CO 0.02 0.33 0.53 -1.61 -0.54 0.00 0.00 174.62 173.35 1g4f s GLU 52 N -1.48 2.64 0.32 3.99 2.02 0.99 -4.76 118.70 122.42 1g4f s GLU 52 Ca 0.15 -3.12 -0.24 0.00 0.02 0.00 0.00 54.97 51.78 1g4f s GLU 52 Cb -0.11 -3.60 -0.16 0.00 0.10 0.00 0.00 34.13 30.36 1g4f s GLU 52 CO 0.06 -1.24 0.27 -0.25 0.02 0.00 0.00 175.26 174.12 1g4f n ASP 53 N 2.43 -2.19 -4.27 -0.19 8.00 -1.26 -2.25 116.55 116.82 1g4f n ASP 53 Ca 0.16 0.95 -0.20 0.00 0.71 0.00 0.00 54.79 56.41 1g4f n ASP 53 Cb 0.35 -0.91 -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 -1.39 2.23 0.01 2.24 0.00 0.74 -4.81 121.76 120.77 1g4f s ALA 54 Ca 0.61 -1.78 0.01 0.00 0.00 0.00 0.00 51.96 50.80 1g4f s ALA 54 Cb -0.76 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 1g4f s ALA 54 CO 0.60 -0.39 -0.05 -1.14 0.00 0.00 0.00 175.76 174.78 1g4f s GLN 55 N -3.89 0.37 0.04 0.00 0.74 -1.26 -2.00 119.66 113.66 1g4f s GLN 55 Ca 0.34 -0.33 0.01 0.00 0.05 0.00 0.00 55.36 55.43 1g4f s GLN 55 Cb 0.07 -0.27 -0.04 0.00 1.10 0.00 0.00 33.01 33.86 1g4f s GLN 55 CO 0.15 0.07 0.10 0.00 -0.55 0.00 0.00 175.29 175.05 1g4f n ILE 57 N 0.80 0.00 -1.46 0.00 2.08 0.10 0.10 119.36 120.98 1g4f n ILE 57 Ca -0.10 -1.91 -0.12 0.00 0.56 0.00 0.00 62.75 61.18 1g4f n ILE 57 Cb 0.52 0.59 -0.10 0.00 -0.75 0.00 0.00 39.64 39.90 1g4f n ILE 57 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1g4f n ASP 58 N -1.51 0.61 0.00 4.38 2.03 -1.26 -2.44 116.55 118.37 1g4f n ASP 58 Ca -0.09 -1.90 0.00 0.00 0.52 0.00 0.00 54.79 53.33 1g4f n ASP 58 Cb 0.50 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 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 5.95 1.84 3.20 0.27 0.00 0.47 -4.83 105.19 112.09 1g4f n GLY 59 Ca 0.37 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.00 1.65 0.01 2.61 2.01 -1.02 -4.60 115.64 113.30 1g4f s THR 60 Ca 0.00 -0.86 -0.01 0.00 0.31 0.00 0.00 61.69 61.13 1g4f s THR 60 Cb 0.00 -1.39 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 1g4f s THR 60 CO 0.00 0.47 -0.00 -0.51 -0.69 0.00 0.00 174.62 173.89 1g4f s ILE 61 N -0.21 0.07 -0.19 1.82 2.07 -1.26 0.03 121.20 123.53 1g4f s ILE 61 Ca 0.01 -0.57 -0.04 0.00 -1.41 0.00 0.00 60.65 58.64 1g4f s ILE 61 Cb -0.11 -0.19 -0.02 0.00 0.13 0.00 0.00 42.46 42.27 1g4f s ILE 61 CO 0.01 -0.31 -0.03 -0.70 -1.91 0.00 0.00 174.94 172.00 1g4f s GLU 62 N -0.92 3.54 0.09 3.50 -6.30 -1.26 -5.02 118.70 112.32 1g4f s GLU 62 Ca -0.10 -0.57 -0.18 0.00 -2.50 0.00 0.00 54.97 51.62 1g4f s GLU 62 Cb -0.06 -2.97 -0.07 0.00 0.00 0.00 0.00 34.13 31.03 1g4f s GLU 62 CO -0.00 0.03 0.56 0.08 0.02 0.00 0.00 175.26 175.94 1g4f s VAL 63 N 0.93 4.78 0.27 3.70 1.01 -1.26 -4.60 120.40 125.23 1g4f s VAL 63 Ca -0.00 1.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.78 1g4f s VAL 63 Cb -0.15 -3.85 -0.11 0.00 0.00 0.00 0.00 36.38 32.28 1g4f s VAL 63 CO 0.01 0.48 1.61 -2.84 0.00 0.00 0.00 175.10 174.36 1g4f s PRO 64 N -1.32 4.13 0.66 2.72 0.02 -1.26 -4.84 135.00 135.12 1g4f s PRO 64 Ca 0.31 2.56 0.29 0.00 0.02 0.00 0.00 61.00 64.18 1g4f s PRO 64 Cb -0.18 -3.04 1.59 0.00 0.02 0.00 0.00 34.50 32.89 1g4f s PRO 64 CO 0.19 -0.64 1.90 1.57 -0.33 0.00 0.00 177.00 179.68 1g4f h LYS 65 N 5.32 0.00 0.00 5.54 2.10 -2.01 0.35 116.57 127.87 1g4f h LYS 65 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1g4f h LYS 65 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1g4f h LYS 65 CO 0.83 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 178.28 1g4f n PHE 67 N -2.73 -0.37 -3.69 0.00 7.35 0.12 -4.98 117.46 113.16 1g4f n PHE 67 Ca 0.03 0.26 -0.28 0.00 -0.76 0.00 0.00 57.45 56.70 1g4f n PHE 67 Cb 0.39 -1.86 -0.12 0.00 0.35 0.00 0.00 39.48 38.24 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 -4.16 1.55 0.16 -4.13 1.02 -1.26 -4.98 119.74 107.94 1g4f s LYS 68 Ca 0.63 -2.44 -0.19 0.00 0.02 0.00 0.00 55.97 53.99 1g4f s LYS 68 Cb -0.22 -2.45 0.08 0.00 -0.52 0.00 0.00 37.83 34.72 1g4f s LYS 68 CO 0.63 -1.25 1.65 1.49 -0.92 0.00 0.00 175.35 176.95 1g4f h GLU 69 N 6.06 -0.08 0.00 1.68 4.81 -1.98 -3.44 114.58 121.64 1g4f h GLU 69 Ca 0.10 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1g4f h GLU 69 Cb 0.87 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1g4f h GLU 69 CO 0.53 -0.05 0.00 1.58 -0.73 0.00 0.00 179.01 180.33 1g4f n HIS 70 N -5.34 -2.23 -4.60 0.92 -0.00 -1.26 -5.15 115.22 97.57 1g4f n HIS 70 Ca 0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 1g4f n HIS 70 Cb 0.25 0.45 0.00 0.00 -0.12 0.00 0.00 29.99 30.57 1g4f n HIS 70 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1g4f n SER 71 N -2.41 -1.32 -3.50 0.26 7.64 -1.26 -3.85 113.62 109.19 1g4f n SER 71 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.49 1g4f n SER 71 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 1g4f n SER 71 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1g4f n SER 72 N -1.70 6.92 -4.31 6.43 3.41 -1.26 -4.82 113.62 118.29 1g4f n SER 72 Ca 0.00 -3.70 -0.36 0.00 -0.26 0.00 0.00 58.87 54.56 1g4f n SER 72 Cb 0.00 -1.07 -0.06 0.00 -0.26 0.00 0.00 64.21 62.82 1g4f n SER 72 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1g4f n LEU 73 N -0.11 -1.34 -0.00 1.04 7.99 -1.25 -4.86 117.00 118.46 1g4f n LEU 73 Ca 0.45 -1.14 -0.00 0.00 -0.01 0.00 0.00 56.01 55.30 1g4f n LEU 73 Cb 0.28 -1.85 -0.00 0.00 -0.11 0.00 0.00 43.42 41.75 1g4f n LEU 73 CO 0.49 0.29 -0.00 0.00 -1.51 0.00 0.00 177.39 176.66 1g4f h ALA 74 N 0.86 0.00 -0.08 -1.18 0.00 -1.87 -3.46 119.26 113.53 1g4f h ALA 74 Ca -0.61 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1g4f h ALA 74 Cb 1.39 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1g4f h ALA 74 CO 0.78 0.01 0.00 0.34 0.00 0.00 0.00 179.25 180.38 1g4f n PHE 75 N -2.20 0.00 -2.17 0.00 7.35 -1.26 -4.83 117.46 114.36 1g4f n PHE 75 Ca -0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1g4f n PHE 75 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1g4f n PHE 75 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 1g4f n TRP 76 N 0.00 -3.78 -4.55 -5.13 8.01 -1.26 -4.72 117.44 106.01 1g4f n TRP 76 Ca 0.00 2.26 0.00 0.00 -1.31 0.00 0.00 57.50 58.45 1g4f n TRP 76 Cb 0.00 -3.09 0.00 0.00 -2.01 0.00 0.00 31.31 26.21 1g4f n TRP 76 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1g4f n LYS 77 N 1.89 0.00 -3.69 -0.99 4.76 -1.26 -4.60 118.16 114.27 1g4f n LYS 77 Ca 0.00 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.07 1g4f n LYS 77 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 1g4f n LYS 77 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1g4f s THR 78 N 0.00 5.32 0.41 -0.18 2.01 -1.26 -5.07 115.64 116.86 1g4f s THR 78 Ca 0.00 0.47 -0.23 0.00 0.31 0.00 0.00 61.69 62.24 1g4f s THR 78 Cb 0.00 -3.54 -0.09 0.00 0.01 0.00 0.00 72.50 68.87 1g4f s THR 78 CO 0.00 0.56 1.01 1.51 -0.69 0.00 0.00 174.62 177.00 1g4f s ASP 79 N -0.69 6.82 0.51 3.53 -4.77 -1.26 -4.81 116.67 115.99 1g4f s ASP 79 Ca 0.18 1.90 0.45 0.00 -3.30 0.00 0.00 52.55 51.78 1g4f s ASP 79 Cb -0.14 -2.57 1.55 0.00 -1.09 0.00 0.00 42.92 40.67 1g4f s ASP 79 CO 0.07 -0.45 1.41 0.00 0.70 0.00 0.00 175.17 176.90 1g4f n ALA 80 N -0.27 1.70 -0.09 2.11 0.00 -1.26 0.92 120.51 123.63 1g4f n ALA 80 Ca 0.06 0.58 0.26 0.00 0.00 0.00 0.00 53.44 54.34 1g4f n ALA 80 Cb 0.51 -1.02 0.72 0.00 0.00 0.00 0.00 19.45 19.66 1g4f n ALA 80 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1g4f h SER 81 N 0.00 0.00 -0.06 0.00 0.87 -1.90 -1.68 113.55 110.79 1g4f h SER 81 Ca 0.84 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 61.28 1g4f h SER 81 Cb 3.42 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 65.16 1g4f h SER 81 CO -0.01 0.00 -0.79 0.47 -0.53 0.00 0.00 176.83 175.97 1g4f n ASP 82 N -4.06 1.53 -4.96 6.23 8.00 0.26 -5.04 116.55 118.52 1g4f n ASP 82 Ca 0.15 -2.94 -0.23 0.00 0.71 0.00 0.00 54.79 52.48 1g4f n ASP 82 Cb 0.86 -0.41 -0.02 0.00 -0.02 0.00 0.00 41.12 41.52 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 -1.85 5.27 -0.06 2.53 1.01 -0.63 -4.89 120.40 121.78 1g4f s VAL 83 Ca 0.36 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 1g4f s VAL 83 Cb 0.38 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1g4f s VAL 83 CO -0.11 -0.26 1.21 -1.59 0.00 0.00 0.00 175.10 174.35 1g4f s LYS 84 N -3.72 4.35 0.20 2.72 -2.85 -1.26 -4.75 119.74 114.42 1g4f s LYS 84 Ca 0.35 1.68 -0.32 0.00 -1.00 0.00 0.00 55.97 56.68 1g4f s LYS 84 Cb -0.10 -3.56 -0.12 0.00 -2.06 0.00 0.00 37.83 31.99 1g4f s LYS 84 CO 0.29 -0.46 1.72 -0.35 0.10 0.00 0.00 175.35 176.65 1g4f n PRO 85 N 5.25 2.72 0.00 1.78 -0.04 -1.26 -2.14 135.00 141.31 1g4f n PRO 85 Ca 0.11 0.98 0.00 0.00 -0.04 0.00 0.00 63.50 64.55 1g4f n PRO 85 Cb 0.46 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.10 1g4f n PRO 85 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46