#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 1.93 0.00 -2.82 -2.85 -1.26 -4.95 119.74 109.80 1g4f s LYS 2 Ca 0.00 -1.32 0.00 0.00 -1.00 0.00 0.00 55.97 53.65 1g4f s LYS 2 Cb 0.00 -2.83 0.00 0.00 -2.06 0.00 0.00 37.83 32.94 1g4f s LYS 2 CO 0.00 -0.64 0.00 0.00 0.10 0.00 0.00 175.35 174.81 1g4f n ALA 3 N 4.48 0.00 -2.57 0.59 0.00 -1.26 -4.67 120.51 117.08 1g4f n ALA 3 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1g4f n ALA 3 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1g4f n ALA 3 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1g4f n SER 4 N -1.45 1.08 -3.93 0.00 3.41 -1.26 0.16 113.62 111.63 1g4f n SER 4 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.43 1g4f n SER 4 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 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 0.40 3.42 -0.76 0.00 2.47 -1.25 0.56 119.74 124.57 1g4f s LYS 6 Ca -0.05 0.04 -0.35 0.00 -1.56 0.00 0.00 55.97 54.05 1g4f s LYS 6 Cb -0.09 -4.05 -0.19 0.00 -1.46 0.00 0.00 37.83 32.04 1g4f s LYS 6 CO -0.00 -1.73 2.47 1.47 0.16 0.00 0.00 175.35 177.72 1g4f n LEU 7 N 8.39 0.74 -0.09 5.43 -0.00 -1.26 -4.74 117.00 125.47 1g4f n LEU 7 Ca 0.06 0.29 0.02 0.00 -0.00 0.00 0.00 56.01 56.38 1g4f n LEU 7 Cb 0.49 -1.00 0.32 0.00 -0.00 0.00 0.00 43.42 43.23 1g4f n LEU 7 CO 0.70 -0.80 1.15 1.55 -0.00 0.00 0.00 177.39 179.99 1g4f h PRO 8 N 11.75 0.73 -6.84 1.47 0.13 -1.97 -3.42 132.00 133.85 1g4f h PRO 8 Ca -0.10 -0.06 -0.69 0.00 -0.87 0.00 0.00 66.00 64.28 1g4f h PRO 8 Cb 1.34 -0.16 -0.24 0.00 0.13 0.00 0.00 31.00 32.08 1g4f h PRO 8 CO 1.25 0.53 -0.87 0.08 -0.23 0.00 0.00 178.00 178.76 1g4f s VAL 9 N -5.55 2.24 -1.85 1.56 1.01 -1.26 -5.01 120.40 111.54 1g4f s VAL 9 Ca -0.09 -1.62 0.13 0.00 0.00 0.00 0.00 61.98 60.40 1g4f s VAL 9 Cb 0.17 -1.95 0.39 0.00 0.00 0.00 0.00 36.38 34.99 1g4f s VAL 9 CO 0.76 0.19 1.31 0.29 0.00 0.00 0.00 175.10 177.65 1g4f n LYS 10 N 1.22 2.13 -2.69 2.72 5.02 -1.26 -4.25 118.16 121.04 1g4f n LYS 10 Ca -0.18 -1.58 -0.06 0.00 -2.02 0.00 0.00 58.31 54.47 1g4f n LYS 10 Cb 0.53 -1.40 0.12 0.00 -0.02 0.00 0.00 35.03 34.25 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 0.72 1.23 -3.30 1.97 5.02 -1.26 -4.62 118.16 117.92 1g4f n LYS 11 Ca 0.15 -1.82 -0.39 0.00 -2.02 0.00 0.00 58.31 54.23 1g4f n LYS 11 Cb 0.41 -0.05 -0.06 0.00 -0.02 0.00 0.00 35.03 35.32 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 -0.03 3.58 -0.57 7.82 0.00 -1.26 -4.98 121.76 126.32 1g4f s ALA 12 Ca 0.20 -0.01 -0.05 0.00 0.00 0.00 0.00 51.96 52.10 1g4f s ALA 12 Cb 0.41 -2.62 0.15 0.00 0.00 0.00 0.00 23.12 21.06 1g4f s ALA 12 CO -0.09 0.35 0.41 0.99 0.00 0.00 0.00 175.76 177.42 1g4f s THR 13 N -0.86 3.87 0.40 0.00 2.01 -1.26 -1.85 115.64 117.96 1g4f s THR 13 Ca 0.28 -2.54 0.07 0.00 0.31 0.00 0.00 61.69 59.81 1g4f s THR 13 Cb -0.19 -3.54 0.07 0.00 0.01 0.00 0.00 72.50 68.85 1g4f s THR 13 CO 0.17 -0.84 0.55 1.33 -0.69 0.00 0.00 174.62 175.15 1g4f n VAL 14 N 3.99 0.00 -3.84 3.82 0.24 -0.59 -4.31 118.33 117.65 1g4f n VAL 14 Ca 0.04 -1.34 -0.29 0.00 -2.04 0.00 0.00 64.34 60.71 1g4f n VAL 14 Cb 0.40 -0.66 -0.13 0.00 -1.47 0.00 0.00 33.84 31.98 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 -1.49 2.15 0.18 3.34 1.01 0.60 -1.15 120.40 125.04 1g4f s VAL 15 Ca 0.42 -3.20 -0.30 0.00 0.00 0.00 0.00 61.98 58.90 1g4f s VAL 15 Cb -0.03 -2.48 -0.08 0.00 0.00 0.00 0.00 36.38 33.79 1g4f s VAL 15 CO 0.27 -0.88 0.96 -0.47 0.00 0.00 0.00 175.10 174.97 1g4f s TYR 16 N -0.26 3.90 -0.90 5.22 6.14 0.54 -3.46 117.35 128.53 1g4f s TYR 16 Ca 0.19 1.86 -0.00 0.00 0.64 0.00 0.00 57.07 59.76 1g4f s TYR 16 Cb -0.21 -3.02 0.00 0.00 0.42 0.00 0.00 41.96 39.15 1g4f s TYR 16 CO -0.04 0.31 0.00 1.04 0.64 0.00 0.00 175.55 177.50 1g4f n GLN 17 N 2.10 -2.35 -0.96 4.97 6.02 -1.26 0.19 117.38 126.08 1g4f n GLN 17 Ca 0.00 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 1g4f n GLN 17 Cb 0.48 -5.09 0.00 0.00 1.02 0.00 0.00 30.24 26.65 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 -0.76 0.64 3.54 1.08 0.00 -1.22 -5.00 105.19 103.47 1g4f n GLY 18 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.22 3.65 0.24 1.61 0.41 0.50 -5.03 118.70 119.86 1g4f s GLU 19 Ca 0.00 -0.48 -0.30 0.00 -0.41 0.00 0.00 54.97 53.79 1g4f s GLU 19 Cb 0.00 -2.95 -0.09 0.00 -1.78 0.00 0.00 34.13 29.31 1g4f s GLU 19 CO 0.00 0.30 1.22 1.03 -0.49 0.00 0.00 175.26 177.32 1g4f s ARG 20 N 0.22 4.48 0.20 1.61 0.52 -1.26 -0.34 118.95 124.38 1g4f s ARG 20 Ca -0.01 1.96 -0.22 0.00 -0.52 0.00 0.00 55.73 56.95 1g4f s ARG 20 Cb -0.13 -3.18 0.05 0.00 0.52 0.00 0.00 34.95 32.20 1g4f s ARG 20 CO 0.02 -0.07 0.62 0.14 0.02 0.00 0.00 175.30 176.03 1g4f s VAL 21 N -0.50 0.00 -0.32 3.52 -7.23 -0.30 -4.90 120.40 110.68 1g4f s VAL 21 Ca 0.51 -0.36 -0.12 0.00 -1.81 0.00 0.00 61.98 60.20 1g4f s VAL 21 Cb -0.35 -1.33 -0.03 0.00 0.56 0.00 0.00 36.38 35.23 1g4f s VAL 21 CO 0.41 -0.02 0.21 -0.54 -0.31 0.00 0.00 175.10 174.85 1g4f s LYS 22 N -3.81 3.61 0.54 4.82 -0.14 -1.26 -1.53 119.74 121.97 1g4f s LYS 22 Ca 0.05 -0.55 0.24 0.00 -1.36 0.00 0.00 55.97 54.34 1g4f s LYS 22 Cb -0.02 -3.72 1.40 0.00 -1.68 0.00 0.00 37.83 33.81 1g4f s LYS 22 CO -0.07 -0.35 2.04 0.97 -0.76 0.00 0.00 175.35 177.18 1g4f h ILE 23 N 5.48 0.75 0.00 2.17 2.10 -1.73 0.19 117.51 126.46 1g4f h ILE 23 Ca -0.33 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.61 1g4f h ILE 23 Cb 1.17 0.81 0.00 0.00 -1.09 0.00 0.00 36.82 37.70 1g4f h ILE 23 CO 0.60 0.00 0.00 0.06 -1.08 0.00 0.00 178.15 177.73 1g4f h GLN 24 N 0.00 0.00 0.00 2.19 3.07 -1.79 -1.16 115.11 117.41 1g4f h GLN 24 Ca 0.17 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.78 1g4f h GLN 24 Cb 0.72 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.26 1g4f h GLN 24 CO -0.00 0.00 -1.45 0.39 0.09 0.00 0.00 178.83 177.86 1g4f n GLU 25 N -2.63 0.17 0.31 0.06 1.02 0.49 -4.02 120.64 116.04 1g4f n GLU 25 Ca -0.01 0.07 0.21 0.00 -0.02 0.00 0.00 57.16 57.40 1g4f n GLU 25 Cb 0.10 -0.84 1.06 0.00 -0.02 0.00 0.00 31.44 31.73 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 -0.25 0.00 -1.67 3.49 1.63 -1.12 -3.13 116.57 115.52 1g4f h LYS 26 Ca -0.20 0.00 -0.44 0.00 -0.85 0.00 0.00 60.65 59.16 1g4f h LYS 26 Cb 1.19 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 32.42 1g4f h LYS 26 CO -0.11 0.00 -1.20 1.19 -3.45 0.00 0.00 179.45 175.88 1g4f n PHE 27 N -2.99 0.53 -0.29 1.91 3.72 -0.44 -4.95 117.46 114.94 1g4f n PHE 27 Ca -0.02 -3.48 0.12 0.00 -0.05 0.00 0.00 57.45 54.01 1g4f n PHE 27 Cb 0.11 -0.41 0.27 0.00 -0.94 0.00 0.00 39.48 38.52 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 3.00 0.21 -2.13 -1.08 1.63 -1.68 -0.45 116.57 116.08 1g4f h LYS 28 Ca 0.03 -0.01 -0.79 0.00 -0.85 0.00 0.00 60.65 59.04 1g4f h LYS 28 Cb 1.04 -0.05 -0.27 0.00 -0.60 0.00 0.00 32.23 32.35 1g4f h LYS 28 CO 0.50 0.14 1.06 0.09 -3.45 0.00 0.00 179.45 177.80 1g4f n ASN 29 N -5.22 7.45 -0.74 4.20 3.02 -1.26 -4.97 115.26 117.74 1g4f n ASN 29 Ca 0.20 -3.75 0.10 0.00 -0.03 0.00 0.00 54.58 51.10 1g4f n ASN 29 Cb 0.64 -1.12 -0.03 0.00 -0.61 0.00 0.00 39.78 38.65 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 -0.26 -2.20 0.00 7.41 0.00 -0.18 -4.83 105.19 105.14 1g4f n GLY 30 Ca 0.51 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1g4f n GLY 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1g4f n MET 31 N -3.32 3.22 -4.32 1.61 2.81 0.19 -4.66 117.12 112.65 1g4f n MET 31 Ca -0.02 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.62 1g4f n MET 31 Cb 0.34 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 32.77 1g4f n MET 31 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1g4f s LEU 32 N 0.00 2.99 0.30 4.03 1.02 -1.26 -0.61 118.68 125.15 1g4f s LEU 32 Ca 0.00 -0.67 -0.29 0.00 0.02 0.00 0.00 54.13 53.19 1g4f s LEU 32 Cb 0.00 -1.59 -0.10 0.00 0.02 0.00 0.00 46.19 44.52 1g4f s LEU 32 CO 0.00 0.06 1.38 -2.28 0.02 0.00 0.00 176.35 175.53 1g4f s HIS 33 N -2.04 2.99 0.00 0.29 5.65 0.42 -1.97 115.29 120.63 1g4f s HIS 33 Ca 0.28 1.23 0.00 0.00 0.25 0.00 0.00 55.06 56.82 1g4f s HIS 33 Cb -0.07 -3.77 0.00 0.00 -1.18 0.00 0.00 32.58 27.55 1g4f s HIS 33 CO 0.17 -2.30 0.00 0.41 -0.65 0.00 0.00 174.74 172.37 1g4f n GLY 34 N 1.33 0.92 3.71 1.59 0.00 -0.41 -4.93 105.19 107.40 1g4f n GLY 34 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1g4f n GLY 34 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1g4f n ASP 35 N 0.00 1.77 -4.01 1.61 9.92 -0.83 -4.53 116.55 120.49 1g4f n ASP 35 Ca 0.00 0.80 -0.27 0.00 -0.53 0.00 0.00 54.79 54.78 1g4f n ASP 35 Cb 0.00 -1.53 -0.17 0.00 -0.64 0.00 0.00 41.12 38.78 1g4f n ASP 35 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1g4f s LYS 36 N -3.38 1.92 0.01 -1.24 1.02 -1.26 -1.13 119.74 115.68 1g4f s LYS 36 Ca 0.81 -0.45 -0.01 0.00 0.02 0.00 0.00 55.97 56.35 1g4f s LYS 36 Cb -0.37 -1.71 -0.01 0.00 -0.52 0.00 0.00 37.83 35.22 1g4f s LYS 36 CO 0.42 -0.11 0.00 0.14 -0.92 0.00 0.00 175.35 174.89 1g4f s VAL 37 N 1.12 0.06 -0.08 3.17 -7.23 -0.24 -4.68 120.40 112.54 1g4f s VAL 37 Ca -0.05 -0.52 -0.03 0.00 -1.81 0.00 0.00 61.98 59.57 1g4f s VAL 37 Cb -0.14 -0.18 -0.04 0.00 0.56 0.00 0.00 36.38 36.58 1g4f s VAL 37 CO -0.03 -0.29 0.06 -0.44 -0.31 0.00 0.00 175.10 174.09 1g4f s SER 38 N -0.86 5.63 0.24 4.85 0.01 -1.23 0.25 113.70 122.60 1g4f s SER 38 Ca -0.09 0.23 0.06 0.00 1.31 0.00 0.00 55.95 57.45 1g4f s SER 38 Cb -0.06 -1.66 -0.03 0.00 0.21 0.00 0.00 66.02 64.48 1g4f s SER 38 CO -0.00 0.36 0.30 -0.36 0.41 0.00 0.00 173.24 173.95 1g4f s PHE 39 N -0.99 3.34 -0.09 2.43 0.08 -1.01 -0.29 117.98 121.45 1g4f s PHE 39 Ca 0.16 -0.04 -0.13 0.00 0.12 0.00 0.00 56.93 57.04 1g4f s PHE 39 Cb -0.12 -1.52 -0.05 0.00 -0.57 0.00 0.00 43.02 40.77 1g4f s PHE 39 CO 0.05 0.47 0.30 -0.06 -0.10 0.00 0.00 175.22 175.89 1g4f s PHE 40 N -2.02 3.60 0.32 0.36 0.08 -1.26 -0.25 117.98 118.81 1g4f s PHE 40 Ca 0.34 0.74 0.07 0.00 0.12 0.00 0.00 56.93 58.20 1g4f s PHE 40 Cb -0.09 -2.22 -0.03 0.00 -0.57 0.00 0.00 43.02 40.11 1g4f s PHE 40 CO 0.28 0.52 0.28 0.00 -0.10 0.00 0.00 175.22 176.20 1g4f s LYS 42 N -3.30 1.69 -0.13 0.00 0.00 -1.26 -2.43 119.74 114.31 1g4f s LYS 42 Ca 0.38 -1.06 -0.02 0.00 0.00 0.00 0.00 55.97 55.27 1g4f s LYS 42 Cb 0.02 -1.85 -0.02 0.00 0.00 0.00 0.00 37.83 35.98 1g4f s LYS 42 CO 0.27 0.48 -0.08 1.21 0.00 0.00 0.00 175.35 177.23 1g4f s ASN 43 N -1.22 4.50 -0.09 0.03 3.84 0.20 -4.96 114.94 117.23 1g4f s ASN 43 Ca 0.11 -0.18 -0.11 0.00 0.21 0.00 0.00 52.86 52.88 1g4f s ASN 43 Cb -0.10 -1.62 -0.28 0.00 -0.55 0.00 0.00 41.25 38.70 1g4f s ASN 43 CO 0.02 0.20 0.52 0.07 -2.79 0.00 0.00 177.10 175.12 1g4f h LYS 44 N 6.47 0.30 0.00 0.43 2.10 -1.96 0.21 116.57 124.12 1g4f h LYS 44 Ca -0.32 -0.51 0.00 0.00 -2.00 0.00 0.00 60.65 57.82 1g4f h LYS 44 Cb 1.20 0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.72 1g4f h LYS 44 CO 0.59 1.25 0.00 1.49 -2.00 0.00 0.00 179.45 180.77 1g4f h GLU 45 N -0.06 0.00 0.00 0.07 4.81 -1.97 -3.10 114.58 114.33 1g4f h GLU 45 Ca -0.36 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.83 1g4f h GLU 45 Cb 1.96 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.33 1g4f h GLU 45 CO 0.10 0.00 -1.49 1.63 -0.73 0.00 0.00 179.01 178.53 1g4f n LYS 46 N -2.60 0.91 -2.21 1.92 4.76 -1.25 -5.01 118.16 114.68 1g4f n LYS 46 Ca 0.02 -0.07 -0.11 0.00 -2.87 0.00 0.00 58.31 55.28 1g4f n LYS 46 Cb 0.27 -1.23 -0.01 0.00 -1.84 0.00 0.00 35.03 32.22 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 -1.97 -0.88 -4.10 1.97 5.02 0.05 -5.00 118.16 113.24 1g4f n LYS 47 Ca -0.05 0.54 -0.13 0.00 -2.02 0.00 0.00 58.31 56.65 1g4f n LYS 47 Cb 0.40 -4.65 -0.06 0.00 -0.02 0.00 0.00 35.03 30.70 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 -3.17 5.38 0.33 0.00 1.04 -0.72 0.58 113.70 117.15 1g4f s SER 49 Ca 0.31 -0.59 -0.18 0.00 0.48 0.00 0.00 55.95 55.96 1g4f s SER 49 Cb 0.01 -0.50 0.04 0.00 0.10 0.00 0.00 66.02 65.68 1g4f s SER 49 CO 0.16 -0.80 0.77 -0.72 0.98 0.00 0.00 173.24 173.63 1g4f s TYR 50 N -2.43 -0.02 0.00 5.02 -0.85 -1.02 -2.40 117.35 115.65 1g4f s TYR 50 Ca 0.53 -0.54 0.01 0.00 -0.52 0.00 0.00 57.07 56.54 1g4f s TYR 50 Cb -0.07 0.78 -0.04 0.00 0.38 0.00 0.00 41.96 43.01 1g4f s TYR 50 CO 0.32 -1.39 0.04 0.95 -1.52 0.00 0.00 175.55 173.95 1g4f s THR 51 N -3.04 4.44 -0.61 -3.49 -4.23 -1.26 -1.87 115.64 105.58 1g4f s THR 51 Ca 0.14 -0.53 0.02 0.00 -1.18 0.00 0.00 61.69 60.13 1g4f s THR 51 Cb -0.05 -3.01 0.15 0.00 1.34 0.00 0.00 72.50 70.92 1g4f s THR 51 CO 0.09 0.34 0.39 -1.61 -0.54 0.00 0.00 174.62 173.29 1g4f s GLU 52 N -1.71 2.32 0.34 3.99 2.02 0.65 -4.81 118.70 121.50 1g4f s GLU 52 Ca 0.22 -2.81 -0.23 0.00 0.02 0.00 0.00 54.97 52.17 1g4f s GLU 52 Cb -0.12 -3.49 -0.16 0.00 0.10 0.00 0.00 34.13 30.47 1g4f s GLU 52 CO 0.13 -1.17 0.25 -0.25 0.02 0.00 0.00 175.26 174.24 1g4f n ASP 53 N 2.89 -2.23 -4.16 -0.19 9.92 -1.26 -2.40 116.55 119.13 1g4f n ASP 53 Ca 0.10 0.92 -0.10 0.00 -0.53 0.00 0.00 54.79 55.18 1g4f n ASP 53 Cb 0.34 -0.92 -0.10 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 -1.46 0.90 0.08 2.24 0.00 0.70 -4.84 121.76 119.39 1g4f s ALA 54 Ca 0.61 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 51.11 1g4f s ALA 54 Cb -0.72 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1g4f s ALA 54 CO 0.60 -0.46 -0.06 -1.14 0.00 0.00 0.00 175.76 174.71 1g4f s GLN 55 N -4.02 0.75 0.30 0.00 0.74 -1.26 -1.07 119.66 115.10 1g4f s GLN 55 Ca 0.23 -1.26 0.09 0.00 0.05 0.00 0.00 55.36 54.46 1g4f s GLN 55 Cb 0.07 -0.10 -0.04 0.00 1.10 0.00 0.00 33.01 34.04 1g4f s GLN 55 CO 0.01 -0.04 0.08 0.00 -0.55 0.00 0.00 175.29 174.80 1g4f s ILE 57 N -2.37 0.77 -0.79 0.00 1.09 0.92 -1.29 121.20 119.54 1g4f s ILE 57 Ca 0.35 -2.00 -0.17 0.00 -1.10 0.00 0.00 60.65 57.73 1g4f s ILE 57 Cb -0.04 -2.22 -0.20 0.00 -1.06 0.00 0.00 42.46 38.94 1g4f s ILE 57 CO 0.22 0.00 2.06 -0.67 -0.10 0.00 0.00 174.94 176.45 1g4f n ASP 58 N -1.35 0.07 0.00 3.58 -0.08 -1.26 -2.60 116.55 114.91 1g4f n ASP 58 Ca -0.12 -1.35 0.00 0.00 -1.51 0.00 0.00 54.79 51.81 1g4f n ASP 58 Cb 0.66 -1.15 0.00 0.00 2.34 0.00 0.00 41.12 42.97 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 5.92 2.58 3.59 0.27 0.00 0.03 -4.81 105.19 112.76 1g4f n GLY 59 Ca 0.45 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.45 3.61 0.06 2.61 2.01 -1.07 -3.88 115.64 118.53 1g4f s THR 60 Ca 0.00 -0.78 -0.08 0.00 0.31 0.00 0.00 61.69 61.15 1g4f s THR 60 Cb 0.00 -2.56 -0.00 0.00 0.01 0.00 0.00 72.50 69.94 1g4f s THR 60 CO 0.00 0.40 0.16 -0.51 -0.69 0.00 0.00 174.62 173.98 1g4f s ILE 61 N -0.98 0.13 0.09 1.82 -1.16 -1.26 -0.06 121.20 119.78 1g4f s ILE 61 Ca 0.17 -1.09 0.09 0.00 -0.51 0.00 0.00 60.65 59.30 1g4f s ILE 61 Cb -0.11 -1.09 -0.04 0.00 0.61 0.00 0.00 42.46 41.84 1g4f s ILE 61 CO 0.07 -0.60 -0.21 -1.61 -2.81 0.00 0.00 174.94 169.78 1g4f s GLU 62 N -3.08 1.79 -0.06 3.50 2.02 -1.26 -5.00 118.70 116.61 1g4f s GLU 62 Ca -0.01 -1.15 0.03 0.00 0.02 0.00 0.00 54.97 53.86 1g4f s GLU 62 Cb 0.01 -2.07 -0.03 0.00 0.10 0.00 0.00 34.13 32.15 1g4f s GLU 62 CO -0.07 0.49 -0.13 0.54 0.02 0.00 0.00 175.26 176.11 1g4f s VAL 63 N -1.02 3.13 0.07 2.63 0.11 -1.26 -4.71 120.40 119.34 1g4f s VAL 63 Ca 0.15 -0.69 -0.30 0.00 -2.93 0.00 0.00 61.98 58.21 1g4f s VAL 63 Cb -0.10 -2.24 -0.09 0.00 -1.53 0.00 0.00 36.38 32.42 1g4f s VAL 63 CO 0.07 0.59 1.79 -2.16 -3.33 0.00 0.00 175.10 172.06 1g4f s PRO 64 N -0.66 4.16 0.60 1.54 0.05 -1.26 -4.82 135.00 134.61 1g4f s PRO 64 Ca 0.10 2.48 0.28 0.00 0.05 0.00 0.00 61.00 63.91 1g4f s PRO 64 Cb -0.11 -3.78 1.17 0.00 0.05 0.00 0.00 34.50 31.83 1g4f s PRO 64 CO 0.01 -0.84 1.55 1.57 0.05 0.00 0.00 177.00 179.34 1g4f h LYS 65 N 9.13 0.00 -0.86 4.56 2.10 -2.02 0.43 116.57 129.91 1g4f h LYS 65 Ca -0.45 0.00 0.19 0.00 -2.00 0.00 0.00 60.65 58.39 1g4f h LYS 65 Cb 1.21 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.48 1g4f h LYS 65 CO 0.94 0.00 0.57 0.00 -2.00 0.00 0.00 179.45 178.96 1g4f n PHE 67 N -4.49 1.30 -1.09 0.00 7.35 0.15 -4.70 117.46 115.99 1g4f n PHE 67 Ca 0.18 0.70 -0.37 0.00 -0.76 0.00 0.00 57.45 57.19 1g4f n PHE 67 Cb 0.67 -2.28 -0.09 0.00 0.35 0.00 0.00 39.48 38.12 1g4f n PHE 67 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1g4f n LYS 68 N 2.04 0.69 -0.72 -4.13 2.85 -1.26 -4.65 118.16 112.99 1g4f n LYS 68 Ca 0.17 -1.57 -0.14 0.00 -1.05 0.00 0.00 58.31 55.71 1g4f n LYS 68 Cb 0.21 -3.03 0.08 0.00 -0.65 0.00 0.00 35.03 31.64 1g4f n LYS 68 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1g4f n GLU 69 N 7.76 1.71 -2.54 -1.58 4.07 -1.26 -4.92 120.64 123.87 1g4f n GLU 69 Ca 0.47 -1.60 -0.22 0.00 -0.06 0.00 0.00 57.16 55.74 1g4f n GLU 69 Cb 0.43 -1.63 0.06 0.00 -0.06 0.00 0.00 31.44 30.24 1g4f n GLU 69 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1g4f s HIS 70 N -1.79 2.60 -0.28 4.31 3.76 -1.26 -5.09 115.29 117.54 1g4f s HIS 70 Ca 0.31 0.02 -0.02 0.00 -0.15 0.00 0.00 55.06 55.22 1g4f s HIS 70 Cb 0.25 -2.89 0.09 0.00 1.11 0.00 0.00 32.58 31.14 1g4f s HIS 70 CO 0.04 -1.16 0.09 -1.54 -0.85 0.00 0.00 174.74 171.32 1g4f s SER 71 N -4.51 3.69 0.10 1.40 1.04 -1.26 -5.02 113.70 109.14 1g4f s SER 71 Ca 0.60 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.64 1g4f s SER 71 Cb -0.09 -0.72 0.00 0.00 0.10 0.00 0.00 66.02 65.31 1g4f s SER 71 CO 0.41 -0.39 0.00 -1.20 0.98 0.00 0.00 173.24 173.04 1g4f n SER 72 N 4.96 0.00 -0.84 7.02 7.64 -1.26 -4.89 113.62 126.26 1g4f n SER 72 Ca -0.04 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.86 1g4f n SER 72 Cb 0.43 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.63 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 0.00 0.00 -4.13 -3.43 4.77 -1.26 -4.71 117.00 108.24 1g4f n LEU 73 Ca 0.00 0.19 -0.29 0.00 -0.03 0.00 0.00 56.01 55.89 1g4f n LEU 73 Cb 0.00 -0.56 0.13 0.00 -2.33 0.00 0.00 43.42 40.66 1g4f n LEU 73 CO 0.00 -1.34 -0.73 0.00 -1.33 0.00 0.00 177.39 173.99 1g4f n ALA 74 N -0.30 -3.29 -2.43 -1.18 0.00 -1.26 -5.02 120.51 107.03 1g4f n ALA 74 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.23 1g4f n ALA 74 Cb 0.08 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 -4.18 0.00 -2.90 0.00 3.01 -1.26 -4.92 117.46 107.21 1g4f n PHE 75 Ca 0.01 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.47 1g4f n PHE 75 Cb 0.56 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 1g4f n PHE 75 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 1g4f n TRP 76 N 0.00 -2.68 -3.56 1.38 7.02 -1.26 -5.04 117.44 113.29 1g4f n TRP 76 Ca 0.00 1.02 -0.07 0.00 -1.02 0.00 0.00 57.50 57.44 1g4f n TRP 76 Cb 0.00 -3.85 -0.03 0.00 -2.42 0.00 0.00 31.31 25.01 1g4f n TRP 76 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1g4f s LYS 77 N -2.99 0.53 -0.03 -0.99 2.20 -1.26 -5.17 119.74 112.02 1g4f s LYS 77 Ca 0.00 -0.12 0.01 0.00 -0.36 0.00 0.00 55.97 55.51 1g4f s LYS 77 Cb -0.00 0.24 0.02 0.00 -1.51 0.00 0.00 37.83 36.58 1g4f s LYS 77 CO 0.67 -0.21 -0.04 0.99 -0.36 0.00 0.00 175.35 176.40 1g4f s THR 78 N -2.30 0.42 0.23 3.43 2.01 -1.26 -5.13 115.64 113.04 1g4f s THR 78 Ca 0.06 -0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.66 1g4f s THR 78 Cb -0.01 -0.44 -0.09 0.00 0.01 0.00 0.00 72.50 71.97 1g4f s THR 78 CO -0.05 0.18 1.08 1.51 -0.69 0.00 0.00 174.62 176.65 1g4f s ASP 79 N 0.68 7.32 0.39 3.53 -4.77 -1.26 -4.90 116.67 117.66 1g4f s ASP 79 Ca -0.08 2.14 0.20 0.00 -3.30 0.00 0.00 52.55 51.51 1g4f s ASP 79 Cb -0.11 -2.61 1.15 0.00 -1.09 0.00 0.00 42.92 40.25 1g4f s ASP 79 CO -0.00 -0.14 1.73 0.00 0.70 0.00 0.00 175.17 177.46 1g4f h ALA 80 N 4.45 2.26 -0.08 2.11 0.00 -1.83 0.46 119.26 126.63 1g4f h ALA 80 Ca -0.45 0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1g4f h ALA 80 Cb 1.21 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1g4f h ALA 80 CO 0.70 -0.74 0.57 1.03 0.00 0.00 0.00 179.25 180.81 1g4f h SER 81 N 0.34 0.00 -0.19 0.00 0.87 -1.89 0.45 113.55 113.13 1g4f h SER 81 Ca 0.66 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 61.13 1g4f h SER 81 Cb 1.71 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.61 1g4f h SER 81 CO -0.37 0.00 -0.23 0.47 -0.53 0.00 0.00 176.83 176.17 1g4f n ASP 82 N -2.87 2.23 -4.50 6.23 8.00 0.16 -5.02 116.55 120.79 1g4f n ASP 82 Ca 0.01 -3.75 -0.27 0.00 0.71 0.00 0.00 54.79 51.49 1g4f n ASP 82 Cb 0.63 -0.58 -0.10 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 -3.20 2.76 0.09 2.53 1.01 0.16 -4.95 120.40 118.79 1g4f s VAL 83 Ca 0.41 -1.87 -0.19 0.00 0.00 0.00 0.00 61.98 60.34 1g4f s VAL 83 Cb 0.38 -2.35 -0.07 0.00 0.00 0.00 0.00 36.38 34.34 1g4f s VAL 83 CO -0.02 -0.12 0.57 -1.59 0.00 0.00 0.00 175.10 173.93 1g4f s LYS 84 N -2.78 4.17 0.40 2.72 -2.85 -1.26 -4.77 119.74 115.36 1g4f s LYS 84 Ca 0.23 0.70 -0.27 0.00 -1.00 0.00 0.00 55.97 55.63 1g4f s LYS 84 Cb -0.08 -3.18 -0.10 0.00 -2.06 0.00 0.00 37.83 32.41 1g4f s LYS 84 CO 0.13 0.61 1.41 -2.14 0.10 0.00 0.00 175.35 175.46 1g4f s PRO 85 N -1.25 3.99 0.00 1.78 0.02 -1.26 -1.75 135.00 136.53 1g4f s PRO 85 Ca 0.30 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.73 1g4f s PRO 85 Cb -0.19 -2.85 0.00 0.00 0.02 0.00 0.00 34.50 31.48 1g4f s PRO 85 CO 0.19 -0.57 0.22 0.00 -0.33 0.00 0.00 177.00 176.51