#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 0.88 0.17 -0.78 1.02 -1.26 -4.91 119.74 114.86 1g4f s LYS 2 Ca 0.00 -1.42 -0.15 0.00 0.02 0.00 0.00 55.97 54.42 1g4f s LYS 2 Cb 0.00 -0.79 -0.07 0.00 -0.52 0.00 0.00 37.83 36.45 1g4f s LYS 2 CO 0.00 -1.32 0.58 0.00 -0.92 0.00 0.00 175.35 173.69 1g4f s ALA 3 N 0.71 3.55 1.00 5.17 0.00 -1.26 -4.68 121.76 126.24 1g4f s ALA 3 Ca 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.14 1g4f s ALA 3 Cb -0.03 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.53 1g4f s ALA 3 CO -0.10 0.44 0.00 0.43 0.00 0.00 0.00 175.76 176.53 1g4f n SER 4 N 0.69 -0.71 -2.73 0.00 7.64 -1.26 -2.72 113.62 114.52 1g4f n SER 4 Ca -0.04 -0.06 -0.09 0.00 1.01 0.00 0.00 58.87 59.69 1g4f n SER 4 Cb 0.52 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 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 -2.51 1.07 -0.88 0.00 2.47 -1.26 -3.26 119.74 115.37 1g4f s LYS 6 Ca 0.00 -1.15 -0.24 0.00 -1.56 0.00 0.00 55.97 53.02 1g4f s LYS 6 Cb 0.00 -2.38 -0.21 0.00 -1.46 0.00 0.00 37.83 33.78 1g4f s LYS 6 CO 0.00 -0.85 2.28 1.47 0.16 0.00 0.00 175.35 178.41 1g4f n LEU 7 N 4.71 -0.01 -0.20 5.43 -0.00 -1.26 -4.74 117.00 120.93 1g4f n LEU 7 Ca -0.04 0.05 -0.09 0.00 -0.00 0.00 0.00 56.01 55.94 1g4f n LEU 7 Cb 0.43 -0.75 0.02 0.00 -0.00 0.00 0.00 43.42 43.12 1g4f n LEU 7 CO 0.15 -0.74 0.90 1.55 -0.00 0.00 0.00 177.39 179.25 1g4f h PRO 8 N 10.36 0.89 -6.10 1.47 0.14 -1.96 -3.45 132.00 133.36 1g4f h PRO 8 Ca -0.03 -0.22 -0.52 0.00 0.14 0.00 0.00 66.00 65.37 1g4f h PRO 8 Cb 1.12 -0.11 -0.04 0.00 0.14 0.00 0.00 31.00 32.10 1g4f h PRO 8 CO 1.25 0.84 -0.38 0.08 0.14 0.00 0.00 178.00 179.93 1g4f s VAL 9 N -5.28 2.43 -0.09 1.56 1.01 -1.26 -5.04 120.40 113.72 1g4f s VAL 9 Ca -0.13 -1.42 0.13 0.00 0.00 0.00 0.00 61.98 60.56 1g4f s VAL 9 Cb 0.12 -2.85 0.20 0.00 0.00 0.00 0.00 36.38 33.86 1g4f s VAL 9 CO 0.81 0.00 1.09 2.29 0.00 0.00 0.00 175.10 179.29 1g4f n LYS 10 N -1.54 1.47 -1.72 2.72 2.85 -1.26 -4.45 118.16 116.22 1g4f n LYS 10 Ca 0.02 -2.19 -0.05 0.00 -1.05 0.00 0.00 58.31 55.05 1g4f n LYS 10 Cb 0.63 -1.29 0.02 0.00 -0.65 0.00 0.00 35.03 33.73 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 -1.10 0.59 -3.35 -1.58 4.01 -1.26 -4.69 118.16 110.79 1g4f n LYS 11 Ca 0.11 -1.08 -0.38 0.00 -0.51 0.00 0.00 58.31 56.45 1g4f n LYS 11 Cb 0.57 0.47 -0.06 0.00 -0.51 0.00 0.00 35.03 35.50 1g4f n LYS 11 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1g4f s ALA 12 N 0.06 3.62 -0.51 7.82 0.00 -1.26 -4.97 121.76 126.52 1g4f s ALA 12 Ca 0.04 -0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.88 1g4f s ALA 12 Cb 0.20 -2.56 0.13 0.00 0.00 0.00 0.00 23.12 20.89 1g4f s ALA 12 CO -0.06 0.39 0.35 0.99 0.00 0.00 0.00 175.76 177.43 1g4f s THR 13 N -0.96 3.87 0.52 0.00 2.01 -1.26 -0.60 115.64 119.21 1g4f s THR 13 Ca 0.27 -2.20 0.09 0.00 0.31 0.00 0.00 61.69 60.16 1g4f s THR 13 Cb -0.18 -3.56 0.06 0.00 0.01 0.00 0.00 72.50 68.82 1g4f s THR 13 CO 0.17 -0.79 0.71 0.68 -0.69 0.00 0.00 174.62 174.70 1g4f s VAL 14 N 0.88 2.49 -0.29 3.82 -7.23 -0.52 -4.10 120.40 115.45 1g4f s VAL 14 Ca 0.10 -0.98 0.03 0.00 -1.81 0.00 0.00 61.98 59.32 1g4f s VAL 14 Cb -0.23 -2.51 0.08 0.00 0.56 0.00 0.00 36.38 34.28 1g4f s VAL 14 CO -0.03 0.00 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.04 1g4f s VAL 15 N -2.56 2.04 0.00 1.32 1.01 0.66 -1.83 120.40 121.04 1g4f s VAL 15 Ca 0.59 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.76 1g4f s VAL 15 Cb -0.08 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.99 1g4f s VAL 15 CO 0.37 -0.27 0.00 0.00 0.00 0.00 0.00 175.10 175.19 1g4f n TYR 16 N 4.43 0.00 -1.38 5.22 4.19 0.58 -2.36 117.16 127.84 1g4f n TYR 16 Ca -0.07 0.00 -0.16 0.00 3.31 0.00 0.00 57.90 60.99 1g4f n TYR 16 Cb 0.42 0.00 -0.10 0.00 0.49 0.00 0.00 39.34 40.15 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 0.07 -2.94 2.98 6.02 -1.26 -3.21 117.38 119.04 1g4f n GLN 17 Ca 0.00 -1.40 -0.20 0.00 -0.01 0.00 0.00 57.00 55.39 1g4f n GLN 17 Cb 0.00 -3.39 0.01 0.00 1.02 0.00 0.00 30.24 27.88 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 5.77 -0.50 2.97 1.08 0.00 -1.26 -4.95 105.19 108.29 1g4f n GLY 18 Ca 0.36 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.36 1g4f n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1g4f s GLU 19 N -5.59 0.27 -0.01 1.61 2.12 -1.20 -5.15 118.70 110.76 1g4f s GLU 19 Ca 0.24 -0.53 -0.10 0.00 0.36 0.00 0.00 54.97 54.94 1g4f s GLU 19 Cb -0.12 0.09 -0.05 0.00 0.26 0.00 0.00 34.13 34.31 1g4f s GLU 19 CO 0.29 -0.04 0.31 1.03 -0.54 0.00 0.00 175.26 176.31 1g4f s ARG 20 N -1.26 3.69 0.15 4.30 0.52 -1.26 -0.30 118.95 124.79 1g4f s ARG 20 Ca -0.14 0.12 -0.23 0.00 -0.52 0.00 0.00 55.73 54.96 1g4f s ARG 20 Cb -0.09 -3.13 0.07 0.00 0.52 0.00 0.00 34.95 32.32 1g4f s ARG 20 CO -0.01 0.67 0.60 0.14 0.02 0.00 0.00 175.30 176.73 1g4f s VAL 21 N -1.20 0.00 -0.42 3.52 -7.23 -0.76 -4.93 120.40 109.39 1g4f s VAL 21 Ca 0.25 -0.00 -0.18 0.00 -1.81 0.00 0.00 61.98 60.23 1g4f s VAL 21 Cb -0.14 -1.00 0.02 0.00 0.56 0.00 0.00 36.38 35.82 1g4f s VAL 21 CO 0.13 -0.00 0.51 -0.54 -0.31 0.00 0.00 175.10 174.89 1g4f s LYS 22 N -3.62 3.23 0.58 4.82 -0.14 -1.26 -1.44 119.74 121.91 1g4f s LYS 22 Ca 0.00 -0.55 0.35 0.00 -1.36 0.00 0.00 55.97 54.41 1g4f s LYS 22 Cb -0.01 -3.94 1.37 0.00 -1.68 0.00 0.00 37.83 33.58 1g4f s LYS 22 CO -0.12 -0.87 1.60 0.97 -0.76 0.00 0.00 175.35 176.17 1g4f h ILE 23 N 5.76 0.16 0.00 2.17 2.10 -1.22 2.16 117.51 128.64 1g4f h ILE 23 Ca -0.26 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.68 1g4f h ILE 23 Cb 1.11 0.22 -0.00 0.00 -1.09 0.00 0.00 36.82 37.05 1g4f h ILE 23 CO 0.82 0.00 -0.01 0.06 -1.08 0.00 0.00 178.15 177.94 1g4f h GLN 24 N 0.00 0.00 0.00 2.19 3.07 -1.78 -3.01 115.11 115.58 1g4f h GLN 24 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.30 1g4f h GLN 24 Cb 2.65 0.00 0.00 0.00 0.08 0.00 0.00 27.48 30.21 1g4f h GLN 24 CO -0.01 0.01 -0.36 0.39 0.09 0.00 0.00 178.83 178.95 1g4f n GLU 25 N -3.10 0.19 -0.35 0.06 1.02 0.71 -3.79 120.64 115.38 1g4f n GLU 25 Ca 0.02 0.08 0.25 0.00 -0.02 0.00 0.00 57.16 57.49 1g4f n GLU 25 Cb 0.39 -0.80 0.52 0.00 -0.02 0.00 0.00 31.44 31.54 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 -0.36 0.33 -0.72 3.49 3.11 -1.14 1.00 116.57 122.28 1g4f h LYS 26 Ca 0.00 -0.02 -0.52 0.00 -2.81 0.00 0.00 60.65 57.30 1g4f h LYS 26 Cb 0.36 -0.07 -0.36 0.00 -1.00 0.00 0.00 32.23 31.16 1g4f h LYS 26 CO 0.00 0.22 -0.49 1.19 -2.81 0.00 0.00 179.45 177.56 1g4f n PHE 27 N -4.72 2.57 -0.46 1.91 3.72 -1.14 -4.81 117.46 114.54 1g4f n PHE 27 Ca 0.29 -2.27 0.38 0.00 -0.05 0.00 0.00 57.45 55.79 1g4f n PHE 27 Cb 0.99 -0.52 0.67 0.00 -0.94 0.00 0.00 39.48 39.68 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 2.02 0.08 -1.08 -1.08 3.64 -0.89 0.90 116.57 120.15 1g4f h LYS 28 Ca 0.38 -0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 59.08 1g4f h LYS 28 Cb 1.40 -0.02 -0.31 0.00 -0.41 0.00 0.00 32.23 32.90 1g4f h LYS 28 CO 0.83 0.05 0.67 0.09 -2.27 0.00 0.00 179.45 178.81 1g4f n ASN 29 N -4.61 7.31 0.00 4.20 3.02 -1.26 -4.93 115.26 118.99 1g4f n ASN 29 Ca 0.37 -3.79 0.00 0.00 -0.03 0.00 0.00 54.58 51.13 1g4f n ASN 29 Cb 1.47 -0.90 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 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 -0.85 -1.62 3.86 7.41 0.00 0.31 -4.86 105.19 109.44 1g4f n GLY 30 Ca 0.59 -1.52 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.57 2.94 0.77 1.61 -1.94 -1.20 -4.59 119.30 115.32 1g4f s MET 31 Ca 0.00 -1.09 -0.12 0.00 -1.71 0.00 0.00 55.69 52.78 1g4f s MET 31 Cb 0.00 -2.59 0.05 0.00 2.01 0.00 0.00 34.83 34.30 1g4f s MET 31 CO 0.00 0.29 1.11 -0.51 -0.01 0.00 0.00 175.02 175.90 1g4f s LEU 32 N -3.93 2.65 0.34 -0.03 1.43 -1.26 0.26 118.68 118.15 1g4f s LEU 32 Ca 0.36 1.14 -0.26 0.00 -1.03 0.00 0.00 54.13 54.34 1g4f s LEU 32 Cb -0.08 -3.79 -0.09 0.00 0.03 0.00 0.00 46.19 42.26 1g4f s LEU 32 CO 0.26 -1.76 1.03 -2.28 0.23 0.00 0.00 176.35 173.83 1g4f s HIS 33 N -3.30 3.48 0.00 0.29 5.65 -1.25 -2.95 115.29 117.21 1g4f s HIS 33 Ca 0.60 1.70 0.00 0.00 0.25 0.00 0.00 55.06 57.62 1g4f s HIS 33 Cb -0.13 -3.12 0.00 0.00 -1.18 0.00 0.00 32.58 28.16 1g4f s HIS 33 CO 0.53 -0.37 0.00 0.41 -0.65 0.00 0.00 174.74 174.66 1g4f n GLY 34 N 0.67 0.36 3.66 1.59 0.00 0.24 -4.95 105.19 106.77 1g4f n GLY 34 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.15 2.82 -0.07 1.61 2.15 -1.15 -4.56 116.67 115.31 1g4f s ASP 35 Ca 0.00 2.12 -0.00 0.00 0.43 0.00 0.00 52.55 55.10 1g4f s ASP 35 Cb 0.00 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.10 1g4f s ASP 35 CO 0.00 -3.16 -0.03 -0.54 -0.17 0.00 0.00 175.17 171.27 1g4f s LYS 36 N -4.65 0.85 -0.02 4.34 -0.14 -1.26 -0.65 119.74 118.21 1g4f s LYS 36 Ca 0.67 -0.03 -0.01 0.00 -1.36 0.00 0.00 55.97 55.23 1g4f s LYS 36 Cb -0.23 -1.02 0.01 0.00 -1.68 0.00 0.00 37.83 34.91 1g4f s LYS 36 CO 0.58 -0.21 0.04 0.14 -0.76 0.00 0.00 175.35 175.14 1g4f s VAL 37 N 1.52 -0.02 -0.00 3.17 -7.23 -0.75 -4.57 120.40 112.53 1g4f s VAL 37 Ca -0.01 0.06 -0.02 0.00 -1.81 0.00 0.00 61.98 60.20 1g4f s VAL 37 Cb -0.13 -0.07 -0.04 0.00 0.56 0.00 0.00 36.38 36.70 1g4f s VAL 37 CO -0.04 0.03 0.15 -0.44 -0.31 0.00 0.00 175.10 174.49 1g4f s SER 38 N 0.33 6.17 -0.03 4.85 0.01 -1.00 0.26 113.70 124.28 1g4f s SER 38 Ca -0.03 0.28 -0.01 0.00 1.31 0.00 0.00 55.95 57.50 1g4f s SER 38 Cb -0.04 -1.89 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 1g4f s SER 38 CO -0.01 0.26 0.05 -0.36 0.41 0.00 0.00 173.24 173.59 1g4f s PHE 39 N -1.30 3.25 0.12 2.43 0.40 -0.75 -0.25 117.98 121.88 1g4f s PHE 39 Ca 0.27 0.21 -0.30 0.00 -0.60 0.00 0.00 56.93 56.51 1g4f s PHE 39 Cb -0.12 -1.76 -0.06 0.00 0.51 0.00 0.00 43.02 41.59 1g4f s PHE 39 CO 0.18 0.53 0.98 -0.06 0.70 0.00 0.00 175.22 177.55 1g4f s PHE 40 N -1.08 3.78 0.24 0.36 0.08 -1.26 -0.05 117.98 120.05 1g4f s PHE 40 Ca 0.19 1.77 0.01 0.00 0.12 0.00 0.00 56.93 59.03 1g4f s PHE 40 Cb -0.12 -3.09 -0.04 0.00 -0.57 0.00 0.00 43.02 39.21 1g4f s PHE 40 CO 0.09 0.09 0.18 0.00 -0.10 0.00 0.00 175.22 175.49 1g4f s LYS 42 N -3.93 1.84 -0.13 0.00 -2.85 -1.26 -0.85 119.74 112.56 1g4f s LYS 42 Ca 0.39 -1.10 -0.03 0.00 -1.00 0.00 0.00 55.97 54.23 1g4f s LYS 42 Cb 0.05 -2.04 -0.03 0.00 -2.06 0.00 0.00 37.83 33.75 1g4f s LYS 42 CO 0.17 0.51 -0.02 1.21 0.10 0.00 0.00 175.35 177.33 1g4f s ASN 43 N -1.41 5.01 -0.03 0.03 3.84 0.58 -4.92 114.94 118.05 1g4f s ASN 43 Ca 0.13 -0.02 0.10 0.00 0.21 0.00 0.00 52.86 53.28 1g4f s ASN 43 Cb -0.10 -1.68 -0.23 0.00 -0.55 0.00 0.00 41.25 38.68 1g4f s ASN 43 CO 0.04 0.24 0.72 0.11 -2.79 0.00 0.00 177.10 175.42 1g4f h LYS 44 N 6.20 0.03 -0.14 0.43 6.56 -1.94 0.19 116.57 127.90 1g4f h LYS 44 Ca -0.38 -0.04 -0.14 0.00 -1.06 0.00 0.00 60.65 59.03 1g4f h LYS 44 Cb 1.19 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.85 1g4f h LYS 44 CO 0.61 0.62 -0.51 0.93 -2.06 0.00 0.00 179.45 179.04 1g4f h GLU 45 N 0.01 0.38 0.00 3.15 4.39 -1.96 -3.26 114.58 117.29 1g4f h GLU 45 Ca -0.26 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1g4f h GLU 45 Cb 1.99 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.66 1g4f h GLU 45 CO 0.09 0.80 -0.56 1.63 -1.16 0.00 0.00 179.01 179.81 1g4f n LYS 46 N -3.96 3.43 -2.29 2.33 4.76 -1.26 -4.99 118.16 116.19 1g4f n LYS 46 Ca -0.02 -0.01 -0.16 0.00 -2.87 0.00 0.00 58.31 55.25 1g4f n LYS 46 Cb 0.57 -0.99 -0.01 0.00 -1.84 0.00 0.00 35.03 32.76 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 -1.29 -1.26 -4.32 1.97 4.76 0.66 -5.00 118.16 113.69 1g4f n LYS 47 Ca 0.01 0.77 -0.17 0.00 -2.87 0.00 0.00 58.31 56.06 1g4f n LYS 47 Cb 0.16 -5.14 -0.10 0.00 -1.84 0.00 0.00 35.03 28.11 1g4f n LYS 47 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1g4f s SER 49 N -3.28 5.54 0.36 0.00 1.04 -0.88 0.22 113.70 116.68 1g4f s SER 49 Ca 0.28 -0.48 -0.17 0.00 0.48 0.00 0.00 55.95 56.06 1g4f s SER 49 Cb 0.06 -0.69 0.05 0.00 0.10 0.00 0.00 66.02 65.53 1g4f s SER 49 CO 0.08 -0.70 0.79 -0.72 0.98 0.00 0.00 173.24 173.67 1g4f s TYR 50 N -2.36 0.06 0.01 5.02 1.13 -0.03 -2.33 117.35 118.84 1g4f s TYR 50 Ca 0.52 -0.69 0.02 0.00 -1.41 0.00 0.00 57.07 55.52 1g4f s TYR 50 Cb -0.08 0.81 -0.04 0.00 -1.10 0.00 0.00 41.96 41.55 1g4f s TYR 50 CO 0.32 -1.48 -0.01 0.95 -2.51 0.00 0.00 175.55 172.81 1g4f s THR 51 N -2.60 4.07 -0.59 -3.49 -4.23 -1.26 -0.39 115.64 107.15 1g4f s THR 51 Ca 0.15 -0.66 -0.01 0.00 -1.18 0.00 0.00 61.69 59.99 1g4f s THR 51 Cb -0.05 -2.82 0.15 0.00 1.34 0.00 0.00 72.50 71.12 1g4f s THR 51 CO 0.10 0.36 0.39 -1.61 -0.54 0.00 0.00 174.62 173.32 1g4f s GLU 52 N -1.60 2.42 0.34 3.99 0.41 0.93 -4.75 118.70 120.43 1g4f s GLU 52 Ca 0.20 -2.51 -0.25 0.00 -0.41 0.00 0.00 54.97 52.00 1g4f s GLU 52 Cb -0.11 -3.64 -0.15 0.00 -1.78 0.00 0.00 34.13 28.45 1g4f s GLU 52 CO 0.10 -1.15 0.53 -0.25 -0.49 0.00 0.00 175.26 174.00 1g4f n ASP 53 N 3.47 -0.99 -4.29 -0.19 8.00 -1.26 -1.81 116.55 119.48 1g4f n ASP 53 Ca 0.07 1.00 -0.18 0.00 0.71 0.00 0.00 54.79 56.39 1g4f n ASP 53 Cb 0.37 -1.05 -0.10 0.00 -0.02 0.00 0.00 41.12 40.31 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 -1.31 1.90 0.01 2.24 0.00 0.71 -4.81 121.76 120.49 1g4f s ALA 54 Ca 0.62 -1.86 0.01 0.00 0.00 0.00 0.00 51.96 50.73 1g4f s ALA 54 Cb -0.71 0.99 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 1g4f s ALA 54 CO 0.59 -0.44 -0.05 -1.14 0.00 0.00 0.00 175.76 174.72 1g4f s GLN 55 N -3.98 0.35 0.07 0.00 0.74 -1.26 -1.80 119.66 113.79 1g4f s GLN 55 Ca 0.37 -0.39 0.01 0.00 0.05 0.00 0.00 55.36 55.39 1g4f s GLN 55 Cb 0.07 -0.21 -0.04 0.00 1.10 0.00 0.00 33.01 33.94 1g4f s GLN 55 CO 0.14 0.04 0.19 0.00 -0.55 0.00 0.00 175.29 175.12 1g4f s ILE 57 N -1.51 0.05 -0.99 0.00 -1.09 0.11 -0.59 121.20 117.18 1g4f s ILE 57 Ca 0.34 -2.00 -0.16 0.00 -2.23 0.00 0.00 60.65 56.60 1g4f s ILE 57 Cb -0.13 -2.48 -0.29 0.00 -1.58 0.00 0.00 42.46 37.98 1g4f s ILE 57 CO 0.27 0.00 2.33 -0.67 -1.23 0.00 0.00 174.94 175.64 1g4f n ASP 58 N -1.54 -0.80 -1.33 3.58 -0.08 -1.25 -0.67 116.55 114.45 1g4f n ASP 58 Ca 0.06 -0.35 -0.09 0.00 -1.51 0.00 0.00 54.79 52.90 1g4f n ASP 58 Cb 0.63 -0.70 -0.04 0.00 2.34 0.00 0.00 41.12 43.35 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 5.85 0.75 2.91 0.27 0.00 0.16 -4.88 105.19 110.25 1g4f n GLY 59 Ca 0.66 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.53 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 0.27 -0.11 2.61 2.01 0.15 -4.66 115.64 114.12 1g4f s THR 60 Ca 0.00 -0.11 -0.11 0.00 0.31 0.00 0.00 61.69 61.78 1g4f s THR 60 Cb 0.00 -0.25 0.03 0.00 0.01 0.00 0.00 72.50 72.29 1g4f s THR 60 CO 0.00 0.09 0.30 -0.51 -0.69 0.00 0.00 174.62 173.81 1g4f s ILE 61 N 0.10 0.00 -0.21 1.82 2.07 -1.26 0.06 121.20 123.78 1g4f s ILE 61 Ca -0.01 -0.04 -0.11 0.00 -1.41 0.00 0.00 60.65 59.09 1g4f s ILE 61 Cb -0.03 -0.44 -0.05 0.00 0.13 0.00 0.00 42.46 42.07 1g4f s ILE 61 CO -0.00 -0.02 0.15 -1.61 -1.91 0.00 0.00 174.94 171.55 1g4f s GLU 62 N 0.05 4.15 -0.00 3.50 0.41 -1.26 -5.05 118.70 120.50 1g4f s GLU 62 Ca -0.01 -0.21 -0.24 0.00 -0.41 0.00 0.00 54.97 54.10 1g4f s GLU 62 Cb -0.02 -3.47 -0.05 0.00 -1.78 0.00 0.00 34.13 28.81 1g4f s GLU 62 CO 0.01 0.20 0.73 0.08 -0.49 0.00 0.00 175.26 175.79 1g4f s VAL 63 N 0.64 4.88 0.14 2.63 1.01 -1.26 -4.74 120.40 123.70 1g4f s VAL 63 Ca 0.08 1.52 -0.31 0.00 0.00 0.00 0.00 61.98 63.28 1g4f s VAL 63 Cb -0.12 -4.07 -0.11 0.00 0.00 0.00 0.00 36.38 32.08 1g4f s VAL 63 CO 0.01 0.32 1.75 -2.84 0.00 0.00 0.00 175.10 174.35 1g4f s PRO 64 N 0.28 4.15 0.60 2.72 0.02 -1.26 -4.83 135.00 136.68 1g4f s PRO 64 Ca 0.38 2.55 0.27 0.00 0.02 0.00 0.00 61.00 64.22 1g4f s PRO 64 Cb -0.19 -3.41 1.26 0.00 0.02 0.00 0.00 34.50 32.18 1g4f s PRO 64 CO 0.21 -0.78 1.66 0.87 -0.33 0.00 0.00 177.00 178.63 1g4f h LYS 65 N 7.90 0.00 0.00 5.54 1.57 -2.01 0.62 116.57 130.18 1g4f h LYS 65 Ca -0.44 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.30 1g4f h LYS 65 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 1g4f h LYS 65 CO 0.95 0.00 -0.15 0.00 -0.57 0.00 0.00 179.45 179.68 1g4f n PHE 67 N -4.23 -1.07 -3.15 0.00 7.35 0.22 -4.95 117.46 111.63 1g4f n PHE 67 Ca -0.02 0.13 0.05 0.00 -0.76 0.00 0.00 57.45 56.84 1g4f n PHE 67 Cb 0.22 -1.72 -0.01 0.00 0.35 0.00 0.00 39.48 38.33 1g4f n PHE 67 CO 0.00 0.00 0.00 -1.59 -0.76 0.00 0.00 176.76 174.41 1g4f s LYS 68 N -3.89 0.38 0.62 -4.13 0.00 -1.26 -5.00 119.74 106.45 1g4f s LYS 68 Ca 0.61 0.50 0.40 0.00 0.00 0.00 0.00 55.97 57.48 1g4f s LYS 68 Cb -0.19 0.26 2.00 0.00 0.00 0.00 0.00 37.83 39.89 1g4f s LYS 68 CO 0.65 -0.57 2.22 1.49 0.00 0.00 0.00 175.35 179.14 1g4f h GLU 69 N 7.81 0.00 -6.07 1.78 4.22 -2.00 -3.41 114.58 116.91 1g4f h GLU 69 Ca -0.11 0.00 -0.68 0.00 0.08 0.00 0.00 59.36 58.65 1g4f h GLU 69 Cb 1.18 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.19 1g4f h GLU 69 CO 0.06 0.00 -0.75 -1.58 -2.18 0.00 0.00 179.01 174.56 1g4f s HIS 70 N -3.96 2.77 0.00 0.92 2.46 -1.26 -5.02 115.29 111.20 1g4f s HIS 70 Ca -0.03 -0.22 0.00 0.00 0.47 0.00 0.00 55.06 55.28 1g4f s HIS 70 Cb 0.11 -1.69 0.00 0.00 -0.13 0.00 0.00 32.58 30.87 1g4f s HIS 70 CO 0.47 0.13 0.00 -1.13 -2.47 0.00 0.00 174.74 171.74 1g4f n SER 71 N 2.56 0.00 0.01 9.88 3.41 -1.26 -5.12 113.62 123.09 1g4f n SER 71 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1g4f n SER 71 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1g4f n SER 71 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1g4f n SER 72 N -0.87 -0.22 -1.78 4.04 7.64 -1.26 -5.17 113.62 116.00 1g4f n SER 72 Ca 0.00 0.05 -0.06 0.00 1.01 0.00 0.00 58.87 59.86 1g4f n SER 72 Cb 0.00 0.64 -0.02 0.00 -1.01 0.00 0.00 64.21 63.82 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 -2.55 0.00 -0.01 -3.43 4.77 -1.26 -5.04 117.00 109.48 1g4f n LEU 73 Ca 0.00 -0.96 -0.00 0.00 -0.03 0.00 0.00 56.01 55.01 1g4f n LEU 73 Cb 0.00 0.47 -0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1g4f n LEU 73 CO 0.00 -0.16 -0.01 0.00 -1.33 0.00 0.00 177.39 175.89 1g4f h ALA 74 N 1.30 0.00 0.00 -1.18 0.00 -2.02 -3.43 119.26 113.93 1g4f h ALA 74 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1g4f h ALA 74 Cb 0.37 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1g4f h ALA 74 CO 0.11 0.02 -0.04 1.97 0.00 0.00 0.00 179.25 181.31 1g4f n PHE 75 N -2.51 0.00 0.02 0.00 -1.74 -1.26 -4.66 117.46 107.31 1g4f n PHE 75 Ca -0.00 -0.77 -0.03 0.00 -0.56 0.00 0.00 57.45 56.09 1g4f n PHE 75 Cb 0.01 -0.11 -0.10 0.00 1.52 0.00 0.00 39.48 40.80 1g4f n PHE 75 CO 0.00 0.00 0.00 -1.49 -0.56 0.00 0.00 176.76 174.71 1g4f h TRP 76 N 0.00 0.00 -3.29 2.97 6.55 -1.99 -3.45 115.95 116.74 1g4f h TRP 76 Ca 0.00 0.00 -0.61 0.00 0.95 0.00 0.00 58.89 59.23 1g4f h TRP 76 Cb 0.92 0.00 -0.34 0.00 -0.86 0.00 0.00 29.16 28.88 1g4f h TRP 76 CO 0.01 0.72 -0.85 0.15 -1.05 0.00 0.00 178.44 177.43 1g4f s LYS 77 N -2.82 2.41 -0.39 0.49 -0.14 -1.26 -5.02 119.74 113.01 1g4f s LYS 77 Ca -0.03 -0.64 -0.27 0.00 -1.36 0.00 0.00 55.97 53.67 1g4f s LYS 77 Cb 0.08 -1.97 -0.06 0.00 -1.68 0.00 0.00 37.83 34.21 1g4f s LYS 77 CO 0.81 0.00 2.27 0.99 -0.76 0.00 0.00 175.35 178.66 1g4f s THR 78 N 0.79 3.06 0.76 2.17 2.01 -1.26 -4.83 115.64 118.34 1g4f s THR 78 Ca -0.10 0.05 -0.08 0.00 0.31 0.00 0.00 61.69 61.87 1g4f s THR 78 Cb -0.16 -3.12 0.09 0.00 0.01 0.00 0.00 72.50 69.32 1g4f s THR 78 CO 0.01 -0.10 1.08 -1.81 -0.69 0.00 0.00 174.62 173.11 1g4f s ASP 79 N 10.18 4.48 0.18 3.53 1.01 -1.26 -4.82 116.67 129.96 1g4f s ASP 79 Ca 0.95 0.39 -0.16 0.00 0.71 0.00 0.00 52.55 54.44 1g4f s ASP 79 Cb -0.23 -0.90 0.14 0.00 1.01 0.00 0.00 42.92 42.94 1g4f s ASP 79 CO 0.29 -1.83 1.67 0.00 0.21 0.00 0.00 175.17 175.51 1g4f h ALA 80 N -0.80 0.34 0.00 5.23 0.00 -1.86 0.43 119.26 122.59 1g4f h ALA 80 Ca -0.44 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1g4f h ALA 80 Cb 1.30 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1g4f h ALA 80 CO 0.56 -0.43 0.19 0.66 0.00 0.00 0.00 179.25 180.22 1g4f h SER 81 N 0.03 0.00 0.00 0.00 4.64 -1.89 -0.56 113.55 115.76 1g4f h SER 81 Ca 0.22 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.50 1g4f h SER 81 Cb 0.34 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.33 1g4f h SER 81 CO -0.45 0.00 -0.63 0.47 -0.87 0.00 0.00 176.83 175.35 1g4f n ASP 82 N -2.19 1.54 -4.70 4.97 8.00 0.14 -5.05 116.55 119.26 1g4f n ASP 82 Ca -0.01 -3.43 -0.24 0.00 0.71 0.00 0.00 54.79 51.81 1g4f n ASP 82 Cb 0.22 -0.47 -0.07 0.00 -0.02 0.00 0.00 41.12 40.78 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 -2.44 3.82 0.08 2.53 1.01 -0.22 -4.63 120.40 120.56 1g4f s VAL 83 Ca 0.37 -1.57 -0.27 0.00 0.00 0.00 0.00 61.98 60.50 1g4f s VAL 83 Cb 0.37 -3.00 -0.06 0.00 0.00 0.00 0.00 36.38 33.70 1g4f s VAL 83 CO -0.09 -0.25 0.86 -0.75 0.00 0.00 0.00 175.10 174.86 1g4f s LYS 84 N -3.40 4.59 0.30 2.72 2.20 -1.26 -4.75 119.74 120.14 1g4f s LYS 84 Ca 0.30 1.25 -0.29 0.00 -0.36 0.00 0.00 55.97 56.87 1g4f s LYS 84 Cb -0.08 -3.37 -0.11 0.00 -1.51 0.00 0.00 37.83 32.76 1g4f s LYS 84 CO 0.21 0.25 1.50 -1.25 -0.36 0.00 0.00 175.35 175.70 1g4f s PRO 85 N -0.05 4.18 0.00 4.03 0.05 -1.26 -2.07 135.00 139.89 1g4f s PRO 85 Ca 0.43 2.46 0.00 0.00 0.05 0.00 0.00 61.00 63.94 1g4f s PRO 85 Cb -0.22 -3.04 0.00 0.00 0.05 0.00 0.00 34.50 31.29 1g4f s PRO 85 CO 0.26 -0.51 0.13 0.00 0.05 0.00 0.00 177.00 176.93