#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 -0.98 -2.48 -0.78 5.02 -1.26 -4.81 118.16 112.87 1g4f n LYS 2 Ca 0.00 1.21 -0.42 0.00 -2.02 0.00 0.00 58.31 57.07 1g4f n LYS 2 Cb 0.00 -1.94 -0.03 0.00 -0.02 0.00 0.00 35.03 33.05 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 -1.15 3.44 1.04 7.82 0.00 -1.26 -4.63 121.76 127.02 1g4f s ALA 3 Ca 0.01 0.65 -0.08 0.00 0.00 0.00 0.00 51.96 52.54 1g4f s ALA 3 Cb -0.00 -3.48 0.13 0.00 0.00 0.00 0.00 23.12 19.77 1g4f s ALA 3 CO 0.19 -0.64 0.29 0.43 0.00 0.00 0.00 175.76 176.03 1g4f n SER 4 N 4.81 -2.57 0.00 0.00 7.64 -1.26 -0.25 113.62 122.00 1g4f n SER 4 Ca 0.10 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1g4f n SER 4 Cb 0.47 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 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 2.89 0.24 -0.95 0.00 -2.85 -1.26 -3.41 119.74 114.40 1g4f s LYS 6 Ca 0.00 0.79 -0.31 0.00 -1.00 0.00 0.00 55.97 55.45 1g4f s LYS 6 Cb 0.00 -0.04 -0.21 0.00 -2.06 0.00 0.00 37.83 35.52 1g4f s LYS 6 CO 0.00 -0.35 2.60 1.47 0.10 0.00 0.00 175.35 179.17 1g4f n LEU 7 N 5.37 0.30 0.16 2.77 -0.00 -1.26 -4.72 117.00 119.61 1g4f n LEU 7 Ca -0.07 0.20 0.04 0.00 -0.00 0.00 0.00 56.01 56.18 1g4f n LEU 7 Cb 0.50 -0.89 0.46 0.00 -0.00 0.00 0.00 43.42 43.48 1g4f n LEU 7 CO 0.02 -0.70 0.94 1.55 -0.00 0.00 0.00 177.39 179.20 1g4f h PRO 8 N 11.53 0.17 -5.26 1.47 0.14 -1.97 -3.44 132.00 134.64 1g4f h PRO 8 Ca -0.05 -0.03 -0.57 0.00 0.14 0.00 0.00 66.00 65.49 1g4f h PRO 8 Cb 1.28 -0.03 -0.13 0.00 0.14 0.00 0.00 31.00 32.26 1g4f h PRO 8 CO 1.34 0.27 -0.56 0.08 0.14 0.00 0.00 178.00 179.27 1g4f s VAL 9 N -4.81 1.19 -0.77 1.56 1.01 -1.26 -5.05 120.40 112.27 1g4f s VAL 9 Ca -0.05 -2.00 0.13 0.00 0.00 0.00 0.00 61.98 60.06 1g4f s VAL 9 Cb 0.16 -2.59 0.39 0.00 0.00 0.00 0.00 36.38 34.34 1g4f s VAL 9 CO 0.71 0.00 1.32 0.29 0.00 0.00 0.00 175.10 177.43 1g4f n LYS 10 N -0.92 2.93 -2.69 2.72 5.02 -1.26 -4.52 118.16 119.44 1g4f n LYS 10 Ca -0.07 -2.30 -0.05 0.00 -2.02 0.00 0.00 58.31 53.87 1g4f n LYS 10 Cb 0.66 -1.45 0.12 0.00 -0.02 0.00 0.00 35.03 34.35 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 0.32 1.29 -3.17 1.97 5.02 -1.26 -4.63 118.16 117.70 1g4f n LYS 11 Ca 0.15 -1.61 -0.40 0.00 -2.02 0.00 0.00 58.31 54.43 1g4f n LYS 11 Cb 0.57 0.12 -0.07 0.00 -0.02 0.00 0.00 35.03 35.63 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 0.01 3.58 -0.53 7.82 0.00 -1.26 -4.94 121.76 126.43 1g4f s ALA 12 Ca 0.16 -0.42 -0.16 0.00 0.00 0.00 0.00 51.96 51.55 1g4f s ALA 12 Cb 0.42 -2.94 0.12 0.00 0.00 0.00 0.00 23.12 20.72 1g4f s ALA 12 CO -0.10 -0.65 0.48 0.99 0.00 0.00 0.00 175.76 176.47 1g4f s THR 13 N 2.13 5.20 0.46 0.00 2.01 -1.26 -0.14 115.64 124.04 1g4f s THR 13 Ca 0.25 -1.44 0.08 0.00 0.31 0.00 0.00 61.69 60.90 1g4f s THR 13 Cb -0.16 -4.30 0.01 0.00 0.01 0.00 0.00 72.50 68.07 1g4f s THR 13 CO 0.09 -0.82 0.51 0.68 -0.69 0.00 0.00 174.62 174.39 1g4f s VAL 14 N 1.60 2.56 -0.29 3.82 -7.23 -0.83 -4.12 120.40 115.92 1g4f s VAL 14 Ca 0.03 -1.20 0.02 0.00 -1.81 0.00 0.00 61.98 59.03 1g4f s VAL 14 Cb -0.29 -2.76 0.08 0.00 0.56 0.00 0.00 36.38 33.97 1g4f s VAL 14 CO 0.04 0.00 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.12 1g4f s VAL 15 N -2.50 1.93 0.00 1.32 1.01 -0.51 -2.35 120.40 119.30 1g4f s VAL 15 Ca 0.51 -1.77 0.00 0.00 0.00 0.00 0.00 61.98 60.72 1g4f s VAL 15 Cb -0.06 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1g4f s VAL 15 CO 0.30 -0.31 0.00 0.00 0.00 0.00 0.00 175.10 175.09 1g4f n TYR 16 N 4.46 0.00 -0.35 5.22 4.19 -0.14 -3.02 117.16 127.52 1g4f n TYR 16 Ca -0.06 0.00 -0.11 0.00 3.31 0.00 0.00 57.90 61.04 1g4f n TYR 16 Cb 0.42 0.00 -0.01 0.00 0.49 0.00 0.00 39.34 40.24 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 0.00 0.97 -2.09 2.98 6.02 -1.26 -3.69 117.38 120.31 1g4f n GLN 17 Ca 0.00 -0.96 0.00 0.00 -0.01 0.00 0.00 57.00 56.03 1g4f n GLN 17 Cb 0.00 -2.22 0.00 0.00 1.02 0.00 0.00 30.24 29.04 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 3.91 0.59 2.79 1.08 0.00 -1.26 -5.05 105.19 107.24 1g4f n GLY 18 Ca 0.21 -0.80 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 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 -4.20 0.31 -0.27 1.61 2.02 -1.24 -5.12 118.70 111.80 1g4f s GLU 19 Ca 0.00 0.13 -0.13 0.00 0.02 0.00 0.00 54.97 54.99 1g4f s GLU 19 Cb 0.00 -0.58 -0.04 0.00 0.10 0.00 0.00 34.13 33.60 1g4f s GLU 19 CO 0.00 -0.20 0.26 1.03 0.02 0.00 0.00 175.26 176.37 1g4f s ARG 20 N 1.39 4.00 0.13 1.61 0.52 -1.26 -0.97 118.95 124.37 1g4f s ARG 20 Ca -0.05 -0.16 -0.10 0.00 -0.52 0.00 0.00 55.73 54.90 1g4f s ARG 20 Cb -0.13 -3.64 0.00 0.00 0.52 0.00 0.00 34.95 31.70 1g4f s ARG 20 CO -0.03 -0.18 0.28 0.14 0.02 0.00 0.00 175.30 175.53 1g4f s VAL 21 N 1.77 0.09 -0.33 3.52 -7.23 -0.99 -4.98 120.40 112.25 1g4f s VAL 21 Ca 0.10 -1.16 -0.20 0.00 -1.81 0.00 0.00 61.98 58.91 1g4f s VAL 21 Cb -0.16 -1.54 -0.00 0.00 0.56 0.00 0.00 36.38 35.24 1g4f s VAL 21 CO 0.10 -0.43 0.64 -0.54 -0.31 0.00 0.00 175.10 174.56 1g4f s LYS 22 N -3.90 3.81 0.41 4.82 -0.14 -1.26 -1.96 119.74 121.52 1g4f s LYS 22 Ca 0.10 0.20 0.23 0.00 -1.36 0.00 0.00 55.97 55.14 1g4f s LYS 22 Cb 0.03 -3.76 1.23 0.00 -1.68 0.00 0.00 37.83 33.65 1g4f s LYS 22 CO -0.06 -0.65 1.72 0.97 -0.76 0.00 0.00 175.35 176.57 1g4f h ILE 23 N 5.60 0.37 0.00 2.17 2.10 -0.90 1.10 117.51 127.96 1g4f h ILE 23 Ca -0.26 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.58 1g4f h ILE 23 Cb 1.11 0.08 0.00 0.00 -1.09 0.00 0.00 36.82 36.92 1g4f h ILE 23 CO 0.82 0.05 0.12 0.06 -1.08 0.00 0.00 178.15 178.12 1g4f h GLN 24 N 0.27 0.00 0.00 2.19 3.07 -1.79 0.14 115.11 118.99 1g4f h GLN 24 Ca 0.68 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.42 1g4f h GLN 24 Cb 1.91 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.47 1g4f h GLN 24 CO -0.34 0.00 -0.37 0.39 0.09 0.00 0.00 178.83 178.60 1g4f n GLU 25 N -2.50 0.19 -0.29 0.06 -0.58 0.38 -3.80 120.64 114.10 1g4f n GLU 25 Ca -0.02 0.08 -0.01 0.00 -0.42 0.00 0.00 57.16 56.79 1g4f n GLU 25 Cb 0.16 -0.77 0.18 0.00 -0.57 0.00 0.00 31.44 30.44 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 -0.37 1.14 -0.85 3.49 1.63 -1.44 -2.83 116.57 117.35 1g4f h LYS 26 Ca 0.00 -0.07 -0.58 0.00 -0.85 0.00 0.00 60.65 59.15 1g4f h LYS 26 Cb 0.37 -0.26 -0.40 0.00 -0.60 0.00 0.00 32.23 31.34 1g4f h LYS 26 CO 0.00 0.76 -0.45 1.19 -3.45 0.00 0.00 179.45 177.50 1g4f n PHE 27 N -4.40 2.88 0.33 1.91 3.72 0.45 -4.76 117.46 117.60 1g4f n PHE 27 Ca 0.10 -2.43 0.19 0.00 -0.05 0.00 0.00 57.45 55.26 1g4f n PHE 27 Cb 0.02 -0.56 1.03 0.00 -0.94 0.00 0.00 39.48 39.03 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 2.17 0.00 -0.79 -1.08 -0.00 -1.18 -0.51 116.57 115.19 1g4f h LYS 28 Ca 0.42 0.00 -0.52 0.00 -0.00 0.00 0.00 60.65 60.55 1g4f h LYS 28 Cb 1.34 0.00 -0.29 0.00 -0.00 0.00 0.00 32.23 33.28 1g4f h LYS 28 CO 0.94 0.00 0.15 0.09 -0.00 0.00 0.00 179.45 180.63 1g4f n ASN 29 N -3.07 5.36 0.00 7.07 4.13 -1.26 -4.86 115.26 122.63 1g4f n ASN 29 Ca -0.02 -3.76 0.00 0.00 1.68 0.00 0.00 54.58 52.48 1g4f n ASN 29 Cb 0.21 -0.70 0.00 0.00 -1.54 0.00 0.00 39.78 37.75 1g4f n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1g4f n GLY 30 N -0.93 -0.51 3.96 7.41 0.00 -0.20 -4.91 105.19 110.01 1g4f n GLY 30 Ca 0.51 -1.68 -0.22 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.56 3.43 0.84 1.61 -1.94 -1.22 -4.67 119.30 114.79 1g4f s MET 31 Ca 0.00 -0.73 -0.12 0.00 -1.71 0.00 0.00 55.69 53.13 1g4f s MET 31 Cb 0.00 -2.90 0.10 0.00 2.01 0.00 0.00 34.83 34.04 1g4f s MET 31 CO 0.00 0.45 1.10 -0.51 -0.01 0.00 0.00 175.02 176.05 1g4f s LEU 32 N -3.83 2.42 0.37 -0.03 1.43 -1.26 0.24 118.68 118.03 1g4f s LEU 32 Ca 0.34 1.34 -0.25 0.00 -1.03 0.00 0.00 54.13 54.52 1g4f s LEU 32 Cb -0.09 -3.86 -0.09 0.00 0.03 0.00 0.00 46.19 42.18 1g4f s LEU 32 CO 0.29 -2.26 1.06 -2.28 0.23 0.00 0.00 176.35 173.39 1g4f s HIS 33 N -3.09 3.34 0.00 0.29 5.65 -1.26 -2.84 115.29 117.38 1g4f s HIS 33 Ca 0.62 1.66 0.00 0.00 0.25 0.00 0.00 55.06 57.59 1g4f s HIS 33 Cb -0.16 -3.16 0.00 0.00 -1.18 0.00 0.00 32.58 28.09 1g4f s HIS 33 CO 0.55 -0.60 0.00 0.41 -0.65 0.00 0.00 174.74 174.45 1g4f n GLY 34 N 0.53 0.15 3.69 1.59 0.00 0.29 -4.89 105.19 106.55 1g4f n GLY 34 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.02 6.46 -0.27 1.61 2.15 -1.13 -4.40 116.67 119.07 1g4f s ASP 35 Ca 0.00 2.69 -0.11 0.00 0.43 0.00 0.00 52.55 55.56 1g4f s ASP 35 Cb 0.00 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 40.01 1g4f s ASP 35 CO 0.00 -0.99 0.19 -0.54 -0.17 0.00 0.00 175.17 173.66 1g4f s LYS 36 N 2.97 3.98 0.00 4.34 1.02 -1.26 -0.96 119.74 129.84 1g4f s LYS 36 Ca 0.80 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.49 1g4f s LYS 36 Cb -0.44 -3.63 -0.00 0.00 -0.52 0.00 0.00 37.83 33.24 1g4f s LYS 36 CO 0.36 -0.12 -0.00 0.14 -0.92 0.00 0.00 175.35 174.80 1g4f s VAL 37 N 1.60 0.02 -0.12 3.17 -7.23 -0.86 -4.69 120.40 112.29 1g4f s VAL 37 Ca 0.07 -0.09 -0.07 0.00 -1.81 0.00 0.00 61.98 60.08 1g4f s VAL 37 Cb -0.15 -0.04 -0.04 0.00 0.56 0.00 0.00 36.38 36.71 1g4f s VAL 37 CO 0.09 -0.04 0.14 -0.44 -0.31 0.00 0.00 175.10 174.54 1g4f s SER 38 N -0.14 6.39 -0.05 4.85 0.01 -1.17 0.25 113.70 123.84 1g4f s SER 38 Ca -0.01 0.47 -0.04 0.00 1.31 0.00 0.00 55.95 57.67 1g4f s SER 38 Cb -0.01 -2.07 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 1g4f s SER 38 CO -0.00 0.41 0.16 -0.36 0.41 0.00 0.00 173.24 173.86 1g4f s PHE 39 N -1.02 3.57 0.15 2.43 0.40 -0.98 -1.43 117.98 121.09 1g4f s PHE 39 Ca 0.15 0.42 -0.29 0.00 -0.60 0.00 0.00 56.93 56.61 1g4f s PHE 39 Cb -0.12 -1.87 -0.07 0.00 0.51 0.00 0.00 43.02 41.47 1g4f s PHE 39 CO 0.04 0.68 0.93 -0.06 0.70 0.00 0.00 175.22 177.51 1g4f s PHE 40 N -1.21 3.87 0.14 0.36 0.08 -1.26 -0.31 117.98 119.66 1g4f s PHE 40 Ca 0.22 1.80 -0.01 0.00 0.12 0.00 0.00 56.93 59.06 1g4f s PHE 40 Cb -0.12 -2.99 -0.04 0.00 -0.57 0.00 0.00 43.02 39.29 1g4f s PHE 40 CO 0.13 0.31 0.07 0.00 -0.10 0.00 0.00 175.22 175.63 1g4f s LYS 42 N -4.07 2.88 -0.19 0.00 0.00 -1.26 -0.85 119.74 116.25 1g4f s LYS 42 Ca 0.27 -0.61 -0.02 0.00 0.00 0.00 0.00 55.97 55.62 1g4f s LYS 42 Cb 0.07 -2.73 -0.00 0.00 0.00 0.00 0.00 37.83 35.17 1g4f s LYS 42 CO 0.04 0.61 -0.11 1.21 0.00 0.00 0.00 175.35 177.10 1g4f s ASN 43 N -1.87 3.89 0.02 0.03 3.84 0.70 -4.92 114.94 116.62 1g4f s ASN 43 Ca 0.23 -0.45 -0.14 0.00 0.21 0.00 0.00 52.86 52.71 1g4f s ASN 43 Cb -0.12 -1.63 -0.34 0.00 -0.55 0.00 0.00 41.25 38.61 1g4f s ASN 43 CO 0.15 0.03 0.95 0.50 -2.79 0.00 0.00 177.10 175.94 1g4f h LYS 44 N 7.72 0.49 -0.03 0.43 3.11 -1.94 0.45 116.57 126.81 1g4f h LYS 44 Ca -0.39 -0.84 0.01 0.00 -2.81 0.00 0.00 60.65 56.62 1g4f h LYS 44 Cb 1.17 0.31 -0.01 0.00 -1.00 0.00 0.00 32.23 32.71 1g4f h LYS 44 CO 0.60 1.40 -0.01 0.93 -2.81 0.00 0.00 179.45 179.56 1g4f h GLU 45 N 0.13 -0.01 0.00 1.90 4.39 -1.96 -2.90 114.58 116.13 1g4f h GLU 45 Ca -0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1g4f h GLU 45 Cb 2.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.80 1g4f h GLU 45 CO 0.25 -0.01 -0.84 1.63 -1.16 0.00 0.00 179.01 178.89 1g4f n LYS 46 N -5.12 0.16 -2.80 2.33 5.02 -1.25 -4.97 118.16 111.53 1g4f n LYS 46 Ca -0.06 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.09 1g4f n LYS 46 Cb 0.05 -1.56 0.03 0.00 -0.02 0.00 0.00 35.03 33.53 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 -1.76 -3.38 -4.19 1.97 5.02 0.15 -5.01 118.16 110.96 1g4f n LYS 47 Ca 0.03 0.57 -0.14 0.00 -2.02 0.00 0.00 58.31 56.76 1g4f n LYS 47 Cb 0.39 -4.73 -0.08 0.00 -0.02 0.00 0.00 35.03 30.58 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 -3.21 5.76 0.35 0.00 1.04 -0.52 0.25 113.70 117.38 1g4f s SER 49 Ca 0.37 -0.21 -0.17 0.00 0.48 0.00 0.00 55.95 56.42 1g4f s SER 49 Cb 0.04 -1.00 0.04 0.00 0.10 0.00 0.00 66.02 65.20 1g4f s SER 49 CO 0.16 -0.67 0.76 -0.72 0.98 0.00 0.00 173.24 173.76 1g4f s TYR 50 N -2.35 0.03 0.04 5.02 -0.85 -0.03 -2.45 117.35 116.76 1g4f s TYR 50 Ca 0.51 -0.64 0.05 0.00 -0.52 0.00 0.00 57.07 56.47 1g4f s TYR 50 Cb -0.10 0.78 -0.03 0.00 0.38 0.00 0.00 41.96 42.99 1g4f s TYR 50 CO 0.33 -1.46 -0.11 0.95 -1.52 0.00 0.00 175.55 173.75 1g4f s THR 51 N -2.84 3.34 -0.63 -3.49 -4.23 -1.26 -0.66 115.64 105.87 1g4f s THR 51 Ca 0.14 -1.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.68 1g4f s THR 51 Cb -0.05 -2.46 0.16 0.00 1.34 0.00 0.00 72.50 71.48 1g4f s THR 51 CO 0.10 0.32 0.41 -0.70 -0.54 0.00 0.00 174.62 174.21 1g4f s GLU 52 N -1.59 2.35 0.35 3.99 -6.30 0.58 -4.80 118.70 113.29 1g4f s GLU 52 Ca 0.17 -2.88 -0.22 0.00 -2.50 0.00 0.00 54.97 49.55 1g4f s GLU 52 Cb -0.11 -3.49 -0.15 0.00 0.00 0.00 0.00 34.13 30.38 1g4f s GLU 52 CO 0.08 -1.19 0.16 -0.25 0.02 0.00 0.00 175.26 174.09 1g4f n ASP 53 N 2.78 -2.48 -4.01 -1.70 8.00 -1.26 -2.33 116.55 115.54 1g4f n ASP 53 Ca 0.11 0.85 -0.19 0.00 0.71 0.00 0.00 54.79 56.27 1g4f n ASP 53 Cb 0.34 -0.87 -0.09 0.00 -0.02 0.00 0.00 41.12 40.48 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 -1.50 1.98 -0.00 2.24 0.00 0.68 -4.82 121.76 120.33 1g4f s ALA 54 Ca 0.58 -1.75 -0.00 0.00 0.00 0.00 0.00 51.96 50.79 1g4f s ALA 54 Cb -0.67 1.13 0.00 0.00 0.00 0.00 0.00 23.12 23.58 1g4f s ALA 54 CO 0.60 -0.50 0.01 -1.14 0.00 0.00 0.00 175.76 174.73 1g4f s GLN 55 N -3.83 0.03 0.09 0.00 0.74 -1.26 -2.03 119.66 113.41 1g4f s GLN 55 Ca 0.35 -0.01 0.00 0.00 0.05 0.00 0.00 55.36 55.76 1g4f s GLN 55 Cb 0.05 0.01 -0.04 0.00 1.10 0.00 0.00 33.01 34.13 1g4f s GLN 55 CO 0.17 -0.00 0.24 0.00 -0.55 0.00 0.00 175.29 175.15 1g4f s ILE 57 N -1.59 0.10 -0.81 0.00 1.09 0.11 0.11 121.20 120.21 1g4f s ILE 57 Ca 0.35 -2.00 -0.14 0.00 -1.10 0.00 0.00 60.65 57.76 1g4f s ILE 57 Cb -0.12 -2.51 -0.24 0.00 -1.06 0.00 0.00 42.46 38.53 1g4f s ILE 57 CO 0.28 0.00 1.90 -0.67 -0.10 0.00 0.00 174.94 176.35 1g4f n ASP 58 N -0.81 -0.64 -1.42 3.58 -0.08 -1.24 0.21 116.55 116.14 1g4f n ASP 58 Ca 0.03 -0.22 -0.08 0.00 -1.51 0.00 0.00 54.79 53.01 1g4f n ASP 58 Cb 0.65 -0.55 -0.03 0.00 2.34 0.00 0.00 41.12 43.53 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 4.74 0.62 2.86 0.27 0.00 0.66 -4.88 105.19 109.46 1g4f n GLY 59 Ca 0.54 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.82 0.27 0.00 2.61 2.01 0.13 -4.82 115.64 114.03 1g4f s THR 60 Ca 0.00 -0.02 -0.00 0.00 0.31 0.00 0.00 61.69 61.98 1g4f s THR 60 Cb 0.00 -0.32 -0.00 0.00 0.01 0.00 0.00 72.50 72.19 1g4f s THR 60 CO 0.00 0.14 -0.00 -0.51 -0.69 0.00 0.00 174.62 173.56 1g4f s ILE 61 N 0.70 0.01 -1.09 1.82 2.07 -1.26 0.09 121.20 123.54 1g4f s ILE 61 Ca -0.07 -0.11 -0.05 0.00 -1.41 0.00 0.00 60.65 59.00 1g4f s ILE 61 Cb -0.11 -0.04 0.30 0.00 0.13 0.00 0.00 42.46 42.74 1g4f s ILE 61 CO -0.01 -0.06 1.38 1.21 -1.91 0.00 0.00 174.94 175.55 1g4f n GLU 62 N 2.90 4.22 -1.47 3.50 2.13 -1.26 -5.03 120.64 125.62 1g4f n GLU 62 Ca -0.13 -4.53 -0.47 0.00 0.66 0.00 0.00 57.16 52.68 1g4f n GLU 62 Cb 0.59 -2.52 -0.03 0.00 0.27 0.00 0.00 31.44 29.76 1g4f n GLU 62 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1g4f n VAL 63 N 1.68 1.87 -1.78 6.31 0.31 -1.26 -4.76 118.33 120.69 1g4f n VAL 63 Ca 0.25 -0.47 -0.42 0.00 -0.01 0.00 0.00 64.34 63.70 1g4f n VAL 63 Cb 0.35 -0.36 -0.03 0.00 -0.91 0.00 0.00 33.84 32.89 1g4f n VAL 63 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1g4f s PRO 64 N -1.11 3.99 0.45 5.55 0.05 -1.26 -4.85 135.00 137.82 1g4f s PRO 64 Ca 0.64 2.35 0.24 0.00 0.05 0.00 0.00 61.00 64.27 1g4f s PRO 64 Cb -0.87 -4.14 1.24 0.00 0.05 0.00 0.00 34.50 30.79 1g4f s PRO 64 CO 0.57 -1.11 1.80 0.87 0.05 0.00 0.00 177.00 179.18 1g4f h LYS 65 N 10.93 0.26 -1.14 4.56 1.79 -2.01 0.18 116.57 131.14 1g4f h LYS 65 Ca -0.45 -0.02 0.32 0.00 -2.18 0.00 0.00 60.65 58.33 1g4f h LYS 65 Cb 1.22 -0.06 -0.09 0.00 -1.58 0.00 0.00 32.23 31.72 1g4f h LYS 65 CO 0.95 0.17 0.75 0.00 -1.08 0.00 0.00 179.45 180.25 1g4f n PHE 67 N -4.55 1.96 -3.39 0.00 7.35 0.62 -4.96 117.46 114.49 1g4f n PHE 67 Ca 0.28 0.47 -0.25 0.00 -0.76 0.00 0.00 57.45 57.20 1g4f n PHE 67 Cb 1.08 -2.33 -0.10 0.00 0.35 0.00 0.00 39.48 38.48 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 -2.49 0.67 0.00 -4.13 1.02 -1.26 -5.04 119.74 108.51 1g4f s LYS 68 Ca 0.66 -1.39 0.00 0.00 0.02 0.00 0.00 55.97 55.27 1g4f s LYS 68 Cb -0.47 -1.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.71 1g4f s LYS 68 CO 0.54 -1.25 0.88 -1.91 -0.92 0.00 0.00 175.35 172.68 1g4f n GLU 69 N 3.77 0.00 -3.15 1.68 2.13 -1.26 -4.65 120.64 119.15 1g4f n GLU 69 Ca 0.16 0.82 0.04 0.00 0.66 0.00 0.00 57.16 58.84 1g4f n GLU 69 Cb 0.42 -1.38 -0.01 0.00 0.27 0.00 0.00 31.44 30.75 1g4f n GLU 69 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1g4f s HIS 70 N -2.52 -1.69 -0.38 4.31 5.04 -1.26 -5.04 115.29 113.74 1g4f s HIS 70 Ca 0.00 1.50 0.07 0.00 -1.54 0.00 0.00 55.06 55.09 1g4f s HIS 70 Cb 0.00 0.48 0.32 0.00 0.04 0.00 0.00 32.58 33.42 1g4f s HIS 70 CO 0.00 -0.95 1.29 0.45 -2.34 0.00 0.00 174.74 173.19 1g4f n SER 71 N 5.43 -1.76 -2.81 9.88 2.88 -1.26 -5.07 113.62 120.90 1g4f n SER 71 Ca 0.01 -2.33 0.01 0.00 -1.33 0.00 0.00 58.87 55.23 1g4f n SER 71 Cb 0.52 1.05 0.01 0.00 -0.75 0.00 0.00 64.21 65.04 1g4f n SER 71 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1g4f s SER 72 N -0.98 -0.47 -0.40 -3.46 0.01 -1.26 -5.03 113.70 102.11 1g4f s SER 72 Ca 0.18 -0.26 0.05 0.00 1.31 0.00 0.00 55.95 57.23 1g4f s SER 72 Cb 0.32 0.60 0.48 0.00 0.21 0.00 0.00 66.02 67.64 1g4f s SER 72 CO -0.07 -0.05 1.52 0.18 0.41 0.00 0.00 173.24 175.23 1g4f n LEU 73 N 3.71 5.46 0.00 2.44 4.77 -1.26 -4.80 117.00 127.33 1g4f n LEU 73 Ca 0.07 -4.30 0.00 0.00 -0.03 0.00 0.00 56.01 51.75 1g4f n LEU 73 Cb 0.63 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1g4f n LEU 73 CO -0.10 1.65 0.00 0.00 -1.33 0.00 0.00 177.39 177.61 1g4f n ALA 74 N -0.91 0.00 -2.16 -1.18 0.00 -1.26 -5.02 120.51 109.98 1g4f n ALA 74 Ca 0.46 -0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.66 1g4f n ALA 74 Cb 0.93 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.40 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 -0.27 1.81 -0.36 0.00 5.36 -1.26 -5.00 117.98 118.27 1g4f s PHE 75 Ca 0.00 -0.69 -0.42 0.00 -0.96 0.00 0.00 56.93 54.87 1g4f s PHE 75 Cb 0.00 -2.14 -0.16 0.00 -0.34 0.00 0.00 43.02 40.37 1g4f s PHE 75 CO 0.00 -0.74 1.79 1.87 -1.46 0.00 0.00 175.22 176.68 1g4f n TRP 76 N -1.97 1.88 -4.04 10.12 -0.00 -1.26 -4.93 117.44 117.25 1g4f n TRP 76 Ca 0.08 0.67 -0.28 0.00 -0.00 0.00 0.00 57.50 57.97 1g4f n TRP 76 Cb 0.62 -2.40 -0.17 0.00 -0.00 0.00 0.00 31.31 29.36 1g4f n TRP 76 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 1g4f s LYS 77 N 3.89 1.85 -0.17 5.87 2.20 -1.26 -5.11 119.74 127.01 1g4f s LYS 77 Ca 1.03 -0.39 -0.01 0.00 -0.36 0.00 0.00 55.97 56.24 1g4f s LYS 77 Cb -1.18 -1.77 -0.00 0.00 -1.51 0.00 0.00 37.83 33.36 1g4f s LYS 77 CO 0.68 -0.22 -0.12 0.99 -0.36 0.00 0.00 175.35 176.32 1g4f s THR 78 N 1.50 2.87 0.25 3.43 2.01 -1.26 -5.09 115.64 119.36 1g4f s THR 78 Ca 0.03 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.04 1g4f s THR 78 Cb -0.13 -2.24 -0.11 0.00 0.01 0.00 0.00 72.50 70.03 1g4f s THR 78 CO -0.08 0.49 1.52 -1.81 -0.69 0.00 0.00 174.62 174.06 1g4f s ASP 79 N 0.96 6.54 0.35 3.53 1.11 -1.26 -4.85 116.67 123.06 1g4f s ASP 79 Ca -0.02 2.77 0.17 0.00 0.18 0.00 0.00 52.55 55.64 1g4f s ASP 79 Cb -0.15 -2.62 1.17 0.00 1.07 0.00 0.00 42.92 42.39 1g4f s ASP 79 CO -0.01 -0.80 1.64 0.00 1.18 0.00 0.00 175.17 177.18 1g4f h ALA 80 N 5.24 2.05 -0.18 5.23 0.00 -1.84 1.33 119.26 131.07 1g4f h ALA 80 Ca -0.46 0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.71 1g4f h ALA 80 Cb 1.22 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1g4f h ALA 80 CO 0.80 -0.70 0.59 0.77 0.00 0.00 0.00 179.25 180.72 1g4f h SER 81 N 0.24 0.00 -0.24 0.00 0.02 -1.89 0.62 113.55 112.30 1g4f h SER 81 Ca 0.76 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.59 1g4f h SER 81 Cb 1.85 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 64.32 1g4f h SER 81 CO -0.63 0.00 -0.20 0.47 -1.14 0.00 0.00 176.83 175.33 1g4f n ASP 82 N -3.00 2.28 -4.31 3.07 8.00 0.45 -5.00 116.55 118.04 1g4f n ASP 82 Ca 0.03 -3.79 -0.25 0.00 0.71 0.00 0.00 54.79 51.49 1g4f n ASP 82 Cb 0.68 -0.60 -0.13 0.00 -0.02 0.00 0.00 41.12 41.05 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 -3.23 1.84 0.12 2.53 1.01 0.22 -4.90 120.40 117.99 1g4f s VAL 83 Ca 0.42 -1.57 -0.22 0.00 0.00 0.00 0.00 61.98 60.62 1g4f s VAL 83 Cb 0.39 -1.65 -0.07 0.00 0.00 0.00 0.00 36.38 35.05 1g4f s VAL 83 CO -0.02 -0.00 0.66 -1.59 0.00 0.00 0.00 175.10 174.15 1g4f s LYS 84 N -1.88 4.35 0.40 2.72 -2.85 -1.26 -4.71 119.74 116.50 1g4f s LYS 84 Ca 0.08 0.91 -0.27 0.00 -1.00 0.00 0.00 55.97 55.69 1g4f s LYS 84 Cb -0.10 -3.22 -0.10 0.00 -2.06 0.00 0.00 37.83 32.36 1g4f s LYS 84 CO 0.04 0.59 1.42 -2.14 0.10 0.00 0.00 175.35 175.36 1g4f s PRO 85 N -1.20 3.98 0.00 1.78 0.02 -1.26 -1.43 135.00 136.88 1g4f s PRO 85 Ca 0.33 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.76 1g4f s PRO 85 Cb -0.21 -2.85 0.00 0.00 0.02 0.00 0.00 34.50 31.47 1g4f s PRO 85 CO 0.22 -0.58 0.22 0.00 -0.33 0.00 0.00 177.00 176.53