#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 2.07 -2.71 -0.78 2.85 -1.26 -4.58 118.16 113.75 1g4f n LYS 2 Ca 0.00 -3.74 -0.35 0.00 -1.05 0.00 0.00 58.31 53.17 1g4f n LYS 2 Cb 0.00 -1.66 -0.06 0.00 -0.65 0.00 0.00 35.03 32.67 1g4f n LYS 2 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1g4f s ALA 3 N -3.33 3.09 1.10 0.58 0.00 -1.26 -4.56 121.76 117.38 1g4f s ALA 3 Ca 0.35 0.54 -0.05 0.00 0.00 0.00 0.00 51.96 52.80 1g4f s ALA 3 Cb 0.43 -3.20 0.08 0.00 0.00 0.00 0.00 23.12 20.43 1g4f s ALA 3 CO -0.04 0.01 0.19 -1.13 0.00 0.00 0.00 175.76 174.79 1g4f n SER 4 N -0.16 -2.28 0.00 0.00 3.41 -1.26 -2.25 113.62 111.08 1g4f n SER 4 Ca 0.05 -0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1g4f n SER 4 Cb 0.51 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 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 3.36 0.50 -0.89 0.00 2.20 -1.26 -4.01 119.74 119.64 1g4f s LYS 6 Ca 0.00 0.57 -0.26 0.00 -0.36 0.00 0.00 55.97 55.92 1g4f s LYS 6 Cb 0.00 0.10 -0.21 0.00 -1.51 0.00 0.00 37.83 36.21 1g4f s LYS 6 CO 0.00 -0.88 2.36 1.47 -0.36 0.00 0.00 175.35 177.94 1g4f n LEU 7 N 5.40 0.09 0.21 5.43 -0.00 -1.26 -4.68 117.00 122.19 1g4f n LEU 7 Ca 0.01 0.09 0.14 0.00 -0.00 0.00 0.00 56.01 56.26 1g4f n LEU 7 Cb 0.52 -0.78 0.72 0.00 -0.00 0.00 0.00 43.42 43.88 1g4f n LEU 7 CO -0.01 -0.71 0.93 1.55 -0.00 0.00 0.00 177.39 179.15 1g4f h PRO 8 N 10.61 0.00 -5.19 1.47 0.14 -1.97 -3.43 132.00 133.63 1g4f h PRO 8 Ca -0.04 0.00 -0.42 0.00 0.14 0.00 0.00 66.00 65.68 1g4f h PRO 8 Cb 1.15 0.00 -0.14 0.00 0.14 0.00 0.00 31.00 32.15 1g4f h PRO 8 CO 1.26 0.00 -0.65 0.08 0.14 0.00 0.00 178.00 178.83 1g4f s VAL 9 N -3.65 1.17 -2.07 1.56 1.01 -1.26 -5.04 120.40 112.11 1g4f s VAL 9 Ca -0.01 -2.04 0.17 0.00 0.00 0.00 0.00 61.98 60.09 1g4f s VAL 9 Cb 0.09 -2.46 0.12 0.00 0.00 0.00 0.00 36.38 34.12 1g4f s VAL 9 CO 0.31 -0.25 1.02 1.17 0.00 0.00 0.00 175.10 177.36 1g4f n LYS 10 N -0.51 1.45 -2.70 2.72 4.81 -1.26 -4.61 118.16 118.07 1g4f n LYS 10 Ca -0.04 -1.43 -0.07 0.00 -0.87 0.00 0.00 58.31 55.90 1g4f n LYS 10 Cb 0.64 -1.33 0.11 0.00 0.02 0.00 0.00 35.03 34.48 1g4f n LYS 10 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1g4f n LYS 11 N 0.81 1.19 -3.32 1.64 5.02 -1.26 -4.53 118.16 117.70 1g4f n LYS 11 Ca 0.10 -2.00 -0.31 0.00 -2.02 0.00 0.00 58.31 54.08 1g4f n LYS 11 Cb 0.42 -0.21 -0.05 0.00 -0.02 0.00 0.00 35.03 35.18 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 -0.20 3.55 -0.32 7.82 0.00 -1.26 -4.96 121.76 126.39 1g4f s ALA 12 Ca 0.23 -0.33 0.03 0.00 0.00 0.00 0.00 51.96 51.89 1g4f s ALA 12 Cb 0.40 -2.44 0.09 0.00 0.00 0.00 0.00 23.12 21.18 1g4f s ALA 12 CO -0.07 0.37 0.03 0.99 0.00 0.00 0.00 175.76 177.08 1g4f s THR 13 N -1.95 2.07 0.51 0.00 2.01 -1.26 -1.52 115.64 115.50 1g4f s THR 13 Ca 0.47 -2.08 0.05 0.00 0.31 0.00 0.00 61.69 60.44 1g4f s THR 13 Cb -0.11 -2.47 0.05 0.00 0.01 0.00 0.00 72.50 69.98 1g4f s THR 13 CO 0.24 -0.50 0.42 1.33 -0.69 0.00 0.00 174.62 175.42 1g4f n VAL 14 N 4.36 0.00 -4.07 3.82 0.24 -0.90 -3.94 118.33 117.84 1g4f n VAL 14 Ca -0.00 -2.01 -0.29 0.00 -2.04 0.00 0.00 64.34 60.00 1g4f n VAL 14 Cb 0.42 -0.10 -0.17 0.00 -1.47 0.00 0.00 33.84 32.52 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 -2.52 1.41 -1.18 3.34 1.01 -0.27 -2.15 120.40 120.04 1g4f s VAL 15 Ca 0.32 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 1g4f s VAL 15 Cb -0.03 -1.34 0.21 0.00 0.00 0.00 0.00 36.38 35.23 1g4f s VAL 15 CO 0.20 0.43 1.35 0.00 0.00 0.00 0.00 175.10 177.08 1g4f n TYR 16 N 4.70 4.94 -2.27 5.22 4.19 0.90 -2.12 117.16 132.72 1g4f n TYR 16 Ca -0.16 -3.52 -0.17 0.00 3.31 0.00 0.00 57.90 57.36 1g4f n TYR 16 Cb 0.50 -1.99 -0.01 0.00 0.49 0.00 0.00 39.34 38.33 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 4.43 -1.33 0.00 2.98 6.02 -1.26 -3.14 117.38 125.07 1g4f n GLN 17 Ca 0.32 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 58.15 1g4f n GLN 17 Cb 0.41 -5.26 0.00 0.00 1.02 0.00 0.00 30.24 26.41 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 -1.01 1.30 3.15 1.08 0.00 -1.26 -5.10 105.19 103.35 1g4f n GLY 18 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.18 3.01 -0.07 1.61 8.01 -1.19 -5.10 118.70 124.79 1g4f s GLU 19 Ca 0.00 -0.84 -0.24 0.00 0.01 0.00 0.00 54.97 53.90 1g4f s GLU 19 Cb 0.00 -2.50 -0.04 0.00 -4.31 0.00 0.00 34.13 27.28 1g4f s GLU 19 CO 0.00 -0.11 0.71 1.03 0.01 0.00 0.00 175.26 176.90 1g4f s ARG 20 N 1.04 4.43 0.05 1.61 0.52 -1.26 -0.07 118.95 125.28 1g4f s ARG 20 Ca -0.01 0.89 -0.17 0.00 -0.52 0.00 0.00 55.73 55.92 1g4f s ARG 20 Cb -0.14 -3.45 0.03 0.00 0.52 0.00 0.00 34.95 31.91 1g4f s ARG 20 CO -0.07 0.05 0.39 0.14 0.02 0.00 0.00 175.30 175.83 1g4f s VAL 21 N 0.86 0.06 -0.52 3.52 -7.23 -0.91 -4.99 120.40 111.18 1g4f s VAL 21 Ca 0.38 -0.50 -0.21 0.00 -1.81 0.00 0.00 61.98 59.83 1g4f s VAL 21 Cb -0.18 -0.97 0.05 0.00 0.56 0.00 0.00 36.38 35.84 1g4f s VAL 21 CO 0.18 -0.28 0.77 -0.54 -0.31 0.00 0.00 175.10 174.92 1g4f s LYS 22 N -2.59 3.22 0.60 4.82 -0.14 -1.26 -2.11 119.74 122.27 1g4f s LYS 22 Ca -0.05 -0.59 0.29 0.00 -1.36 0.00 0.00 55.97 54.26 1g4f s LYS 22 Cb -0.01 -4.07 1.21 0.00 -1.68 0.00 0.00 37.83 33.29 1g4f s LYS 22 CO -0.03 -1.33 1.59 0.97 -0.76 0.00 0.00 175.35 175.78 1g4f h ILE 23 N 5.93 0.16 0.00 2.17 2.10 -1.64 1.72 117.51 127.95 1g4f h ILE 23 Ca -0.27 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.67 1g4f h ILE 23 Cb 1.09 0.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.10 1g4f h ILE 23 CO 1.02 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 178.09 1g4f n GLN 24 N -3.48 0.12 0.02 2.19 10.64 -1.26 -1.84 117.38 123.77 1g4f n GLN 24 Ca 0.17 0.09 -0.02 0.00 -1.83 0.00 0.00 57.00 55.42 1g4f n GLN 24 Cb 1.16 -1.50 -0.01 0.00 -0.86 0.00 0.00 30.24 29.03 1g4f n GLN 24 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1g4f n GLU 25 N -1.43 0.10 0.17 2.61 1.02 0.58 -4.18 120.64 119.51 1g4f n GLU 25 Ca 0.08 0.04 0.03 0.00 -0.02 0.00 0.00 57.16 57.29 1g4f n GLU 25 Cb 0.24 -0.66 0.26 0.00 -0.02 0.00 0.00 31.44 31.26 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 -0.19 0.00 -0.51 3.49 3.64 -1.58 -3.17 116.57 118.26 1g4f h LYS 26 Ca 0.00 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.03 1g4f h LYS 26 Cb 0.19 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 31.77 1g4f h LYS 26 CO 0.00 0.46 -0.42 1.19 -2.27 0.00 0.00 179.45 178.41 1g4f n PHE 27 N -3.55 1.76 0.28 1.91 3.72 -0.77 -4.68 117.46 116.14 1g4f n PHE 27 Ca -0.00 -1.99 0.16 0.00 -0.05 0.00 0.00 57.45 55.57 1g4f n PHE 27 Cb 0.57 -0.46 0.59 0.00 -0.94 0.00 0.00 39.48 39.24 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 1.61 0.00 -1.07 -1.08 3.11 -1.44 -3.04 116.57 114.66 1g4f h LYS 28 Ca 0.27 0.00 -0.65 0.00 -2.81 0.00 0.00 60.65 57.46 1g4f h LYS 28 Cb 1.37 0.00 -0.33 0.00 -1.00 0.00 0.00 32.23 32.27 1g4f h LYS 28 CO 0.57 0.00 0.38 0.09 -2.81 0.00 0.00 179.45 177.68 1g4f n ASN 29 N -3.03 6.82 -0.03 4.20 3.02 -1.26 -4.92 115.26 120.07 1g4f n ASN 29 Ca 0.01 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 50.78 1g4f n ASN 29 Cb 0.34 -0.80 -0.00 0.00 -0.61 0.00 0.00 39.78 38.71 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 -0.80 -2.76 3.93 7.41 0.00 -1.15 -4.94 105.19 106.88 1g4f n GLY 30 Ca 0.56 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.71 3.44 0.72 1.61 -1.94 -1.26 -4.72 119.30 113.43 1g4f s MET 31 Ca 0.00 -0.49 -0.15 0.00 -1.71 0.00 0.00 55.69 53.34 1g4f s MET 31 Cb 0.00 -3.01 0.03 0.00 2.01 0.00 0.00 34.83 33.86 1g4f s MET 31 CO 0.00 0.58 1.17 -0.51 -0.01 0.00 0.00 175.02 176.25 1g4f s LEU 32 N -2.74 3.31 0.38 -0.03 1.43 -1.26 0.16 118.68 119.92 1g4f s LEU 32 Ca 0.35 2.24 -0.27 0.00 -1.03 0.00 0.00 54.13 55.41 1g4f s LEU 32 Cb -0.12 -4.58 -0.09 0.00 0.03 0.00 0.00 46.19 41.43 1g4f s LEU 32 CO 0.28 -2.13 1.29 -2.28 0.23 0.00 0.00 176.35 173.75 1g4f s HIS 33 N -2.14 2.93 0.00 0.29 5.65 -1.25 -2.16 115.29 118.61 1g4f s HIS 33 Ca 0.72 1.43 0.00 0.00 0.25 0.00 0.00 55.06 57.45 1g4f s HIS 33 Cb -0.26 -3.65 0.00 0.00 -1.18 0.00 0.00 32.58 27.49 1g4f s HIS 33 CO 0.45 -1.93 0.00 0.41 -0.65 0.00 0.00 174.74 173.02 1g4f n GLY 34 N 0.72 0.65 3.68 1.59 0.00 0.69 -4.91 105.19 107.61 1g4f n GLY 34 Ca 0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.04 3.76 -4.67 1.61 -0.08 -0.92 -4.21 116.55 112.01 1g4f n ASP 35 Ca 0.00 0.98 -0.36 0.00 -1.51 0.00 0.00 54.79 53.89 1g4f n ASP 35 Cb 0.02 -1.47 -0.09 0.00 2.34 0.00 0.00 41.12 41.91 1g4f n ASP 35 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1g4f s LYS 36 N 3.24 4.09 -0.01 -0.67 -0.14 -1.26 -0.24 119.74 124.75 1g4f s LYS 36 Ca 0.86 -0.23 -0.01 0.00 -1.36 0.00 0.00 55.97 55.23 1g4f s LYS 36 Cb -0.56 -3.53 -0.00 0.00 -1.68 0.00 0.00 37.83 32.06 1g4f s LYS 36 CO 0.43 0.07 0.02 0.14 -0.76 0.00 0.00 175.35 175.25 1g4f s VAL 37 N 1.02 0.01 -0.12 3.17 -7.23 0.47 -4.50 120.40 113.22 1g4f s VAL 37 Ca 0.08 -0.12 -0.07 0.00 -1.81 0.00 0.00 61.98 60.07 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 0.04 -0.06 0.12 -0.44 -0.31 0.00 0.00 175.10 174.45 1g4f s SER 38 N -0.18 6.24 0.01 4.85 0.01 -0.90 0.18 113.70 123.91 1g4f s SER 38 Ca -0.02 0.41 -0.02 0.00 1.31 0.00 0.00 55.95 57.64 1g4f s SER 38 Cb -0.01 -2.01 -0.04 0.00 0.21 0.00 0.00 66.02 64.17 1g4f s SER 38 CO -0.00 0.39 0.18 -0.36 0.41 0.00 0.00 173.24 173.86 1g4f s PHE 39 N -0.91 3.51 -0.12 2.43 0.40 -1.00 -1.11 117.98 121.17 1g4f s PHE 39 Ca 0.14 0.31 -0.25 0.00 -0.60 0.00 0.00 56.93 56.53 1g4f s PHE 39 Cb -0.12 -1.80 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 1g4f s PHE 39 CO 0.03 0.62 0.81 -0.06 0.70 0.00 0.00 175.22 177.32 1g4f s PHE 40 N -1.36 3.49 0.14 0.36 0.40 -1.25 -0.28 117.98 119.46 1g4f s PHE 40 Ca 0.29 1.29 0.03 0.00 -0.60 0.00 0.00 56.93 57.94 1g4f s PHE 40 Cb -0.13 -2.96 -0.04 0.00 0.51 0.00 0.00 43.02 40.40 1g4f s PHE 40 CO 0.21 -0.13 -0.07 0.00 0.70 0.00 0.00 175.22 175.93 1g4f s LYS 42 N -3.80 2.12 -0.11 0.00 -2.85 -1.26 -0.15 119.74 113.69 1g4f s LYS 42 Ca 0.16 -0.99 -0.02 0.00 -1.00 0.00 0.00 55.97 54.12 1g4f s LYS 42 Cb 0.04 -2.27 -0.03 0.00 -2.06 0.00 0.00 37.83 33.51 1g4f s LYS 42 CO -0.01 0.53 -0.02 1.21 0.10 0.00 0.00 175.35 177.16 1g4f s ASN 43 N -1.84 5.02 -0.14 0.03 3.04 0.23 -4.95 114.94 116.34 1g4f s ASN 43 Ca 0.18 0.03 -0.29 0.00 0.04 0.00 0.00 52.86 52.82 1g4f s ASN 43 Cb -0.11 -1.54 -0.25 0.00 -1.54 0.00 0.00 41.25 37.81 1g4f s ASN 43 CO 0.10 0.30 0.78 0.11 -3.04 0.00 0.00 177.10 175.34 1g4f h LYS 44 N 5.74 -0.00 -0.56 0.43 1.79 -1.94 0.73 116.57 122.76 1g4f h LYS 44 Ca -0.44 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.07 1g4f h LYS 44 Cb 1.19 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.80 1g4f h LYS 44 CO 0.58 0.97 0.33 1.49 -1.08 0.00 0.00 179.45 181.73 1g4f h GLU 45 N -0.98 0.62 0.00 3.15 4.22 -1.98 -2.31 114.58 117.30 1g4f h GLU 45 Ca -0.00 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.40 1g4f h GLU 45 Cb 0.97 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1g4f h GLU 45 CO 0.00 0.41 -0.80 0.87 -2.18 0.00 0.00 179.01 177.31 1g4f h LYS 46 N 0.64 0.00 -2.65 1.92 1.79 -2.00 -3.47 116.57 112.80 1g4f h LYS 46 Ca 0.23 0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 58.28 1g4f h LYS 46 Cb 0.07 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.67 1g4f h LYS 46 CO -0.12 0.00 -0.51 1.63 -1.08 0.00 0.00 179.45 179.37 1g4f n LYS 47 N -2.69 -1.64 -4.44 3.15 5.02 0.25 -4.97 118.16 112.84 1g4f n LYS 47 Ca 0.01 1.06 -0.22 0.00 -2.02 0.00 0.00 58.31 57.14 1g4f n LYS 47 Cb 0.53 -5.68 -0.10 0.00 -0.02 0.00 0.00 35.03 29.77 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 -3.49 6.04 0.18 0.00 1.04 -0.26 0.75 113.70 117.95 1g4f s SER 49 Ca 0.34 -0.10 -0.23 0.00 0.48 0.00 0.00 55.95 56.43 1g4f s SER 49 Cb 0.07 -1.38 0.06 0.00 0.10 0.00 0.00 66.02 64.87 1g4f s SER 49 CO 0.15 -0.38 0.64 -0.72 0.98 0.00 0.00 173.24 173.91 1g4f s TYR 50 N -2.16 -0.45 -0.02 5.02 -0.85 0.79 -2.03 117.35 117.65 1g4f s TYR 50 Ca 0.43 0.19 -0.04 0.00 -0.52 0.00 0.00 57.07 57.13 1g4f s TYR 50 Cb -0.09 0.59 -0.04 0.00 0.38 0.00 0.00 41.96 42.80 1g4f s TYR 50 CO 0.31 -0.92 0.20 0.95 -1.52 0.00 0.00 175.55 174.57 1g4f s THR 51 N -3.76 5.41 -0.63 -3.49 -4.23 -1.26 -0.60 115.64 107.08 1g4f s THR 51 Ca 0.03 -0.05 0.02 0.00 -1.18 0.00 0.00 61.69 60.51 1g4f s THR 51 Cb -0.02 -3.53 0.16 0.00 1.34 0.00 0.00 72.50 70.44 1g4f s THR 51 CO -0.08 0.36 0.42 -0.70 -0.54 0.00 0.00 174.62 174.07 1g4f s GLU 52 N -1.82 2.40 0.36 3.99 -6.30 0.61 -4.81 118.70 113.12 1g4f s GLU 52 Ca 0.26 -2.82 -0.22 0.00 -2.50 0.00 0.00 54.97 49.69 1g4f s GLU 52 Cb -0.13 -3.54 -0.16 0.00 0.00 0.00 0.00 34.13 30.31 1g4f s GLU 52 CO 0.17 -1.18 0.17 -0.25 0.02 0.00 0.00 175.26 174.18 1g4f n ASP 53 N 2.89 -2.50 -4.02 -1.70 9.92 -1.26 -2.38 116.55 117.49 1g4f n ASP 53 Ca 0.11 0.86 -0.08 0.00 -0.53 0.00 0.00 54.79 55.15 1g4f n ASP 53 Cb 0.35 -0.88 -0.10 0.00 -0.64 0.00 0.00 41.12 39.86 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 -1.51 0.28 0.12 2.24 0.00 0.47 -4.83 121.76 118.54 1g4f s ALA 54 Ca 0.59 -0.97 0.09 0.00 0.00 0.00 0.00 51.96 51.67 1g4f s ALA 54 Cb -0.68 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 1g4f s ALA 54 CO 0.60 -0.36 -0.21 -1.14 0.00 0.00 0.00 175.76 174.65 1g4f s GLN 55 N -3.49 1.20 -0.08 0.00 0.74 -1.26 -0.40 119.66 116.37 1g4f s GLN 55 Ca 0.03 -1.26 -0.03 0.00 0.05 0.00 0.00 55.36 54.15 1g4f s GLN 55 Cb 0.05 -1.43 -0.04 0.00 1.10 0.00 0.00 33.01 32.69 1g4f s GLN 55 CO -0.09 0.32 0.06 0.00 -0.55 0.00 0.00 175.29 175.04 1g4f n ILE 57 N 1.90 0.00 -1.55 0.00 2.08 0.13 0.25 119.36 122.17 1g4f n ILE 57 Ca -0.18 -1.14 -0.19 0.00 0.56 0.00 0.00 62.75 61.80 1g4f n ILE 57 Cb 0.54 0.30 -0.07 0.00 -0.75 0.00 0.00 39.64 39.66 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 -1.41 1.71 0.00 4.38 2.03 -1.25 -2.57 116.55 119.45 1g4f n ASP 58 Ca -0.07 -1.22 0.00 0.00 0.52 0.00 0.00 54.79 54.01 1g4f n ASP 58 Cb 0.30 -1.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.12 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 6.58 0.22 2.89 0.27 0.00 0.35 -4.80 105.19 110.71 1g4f n GLY 59 Ca 0.46 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.58 0.30 0.01 2.61 2.01 -1.06 -4.68 115.64 113.25 1g4f s THR 60 Ca 0.00 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 61.95 1g4f s THR 60 Cb 0.00 -0.31 -0.01 0.00 0.01 0.00 0.00 72.50 72.19 1g4f s THR 60 CO 0.00 0.12 -0.09 -0.51 -0.69 0.00 0.00 174.62 173.46 1g4f s ILE 61 N 0.40 0.67 -0.75 1.82 2.07 -1.26 0.18 121.20 124.33 1g4f s ILE 61 Ca -0.04 -0.60 -0.18 0.00 -1.41 0.00 0.00 60.65 58.42 1g4f s ILE 61 Cb -0.07 -0.61 0.14 0.00 0.13 0.00 0.00 42.46 42.05 1g4f s ILE 61 CO -0.01 0.02 0.85 -1.61 -1.91 0.00 0.00 174.94 172.28 1g4f s GLU 62 N -0.64 3.34 0.29 3.50 2.02 -1.23 -5.00 118.70 120.97 1g4f s GLU 62 Ca -0.00 -1.71 -0.29 0.00 0.02 0.00 0.00 54.97 52.98 1g4f s GLU 62 Cb -0.05 -4.49 -0.10 0.00 0.10 0.00 0.00 34.13 29.59 1g4f s GLU 62 CO 0.00 -1.56 1.14 0.08 0.02 0.00 0.00 175.26 174.94 1g4f s VAL 63 N 2.11 3.36 0.85 2.63 1.01 -1.26 -4.54 120.40 124.55 1g4f s VAL 63 Ca 0.19 1.36 -0.12 0.00 0.00 0.00 0.00 61.98 63.41 1g4f s VAL 63 Cb -0.15 -3.87 0.10 0.00 0.00 0.00 0.00 36.38 32.46 1g4f s VAL 63 CO -0.02 0.32 1.13 -2.65 0.00 0.00 0.00 175.10 173.88 1g4f n PRO 64 N 1.17 -0.05 0.02 2.72 -0.01 -1.26 -4.95 135.00 132.64 1g4f n PRO 64 Ca -0.01 0.06 -0.06 0.00 -0.01 0.00 0.00 63.50 63.49 1g4f n PRO 64 Cb 0.44 -2.37 -0.11 0.00 -0.01 0.00 0.00 33.50 31.44 1g4f n PRO 64 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 175.50 176.36 1g4f h LYS 65 N -1.25 0.00 0.00 -0.52 1.57 -1.98 -3.30 116.57 111.09 1g4f h LYS 65 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1g4f h LYS 65 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1g4f h LYS 65 CO 0.44 0.54 0.01 0.00 -0.57 0.00 0.00 179.45 179.87 1g4f s PHE 67 N -3.65 2.26 -0.30 0.00 2.19 -1.24 -4.69 117.98 112.54 1g4f s PHE 67 Ca -0.03 1.63 -0.02 0.00 0.33 0.00 0.00 56.93 58.85 1g4f s PHE 67 Cb 0.07 -3.17 0.18 0.00 -1.31 0.00 0.00 43.02 38.79 1g4f s PHE 67 CO 0.23 -2.15 0.60 -1.59 1.83 0.00 0.00 175.22 174.15 1g4f s LYS 68 N -4.70 0.57 0.00 10.12 -2.85 -1.26 -5.10 119.74 116.52 1g4f s LYS 68 Ca 0.64 1.03 0.00 0.00 -1.00 0.00 0.00 55.97 56.64 1g4f s LYS 68 Cb -0.20 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 36.13 1g4f s LYS 68 CO 0.55 -0.59 0.09 -1.91 0.10 0.00 0.00 175.35 173.58 1g4f n GLU 69 N 5.43 0.00 -0.78 1.78 2.13 -1.26 -4.96 120.64 122.98 1g4f n GLU 69 Ca -0.02 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1g4f n GLU 69 Cb 0.51 -0.59 0.00 0.00 0.27 0.00 0.00 31.44 31.63 1g4f n GLU 69 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 1g4f n HIS 70 N -0.16 -0.46 -3.45 4.31 1.44 -1.26 -5.09 115.22 110.55 1g4f n HIS 70 Ca 0.00 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.59 1g4f n HIS 70 Cb 0.00 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 1g4f n HIS 70 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1g4f s SER 71 N 0.04 -0.54 1.04 4.39 1.04 -1.26 -5.15 113.70 113.26 1g4f s SER 71 Ca 0.00 0.02 -0.14 0.00 0.48 0.00 0.00 55.95 56.32 1g4f s SER 71 Cb 0.00 0.58 0.14 0.00 0.10 0.00 0.00 66.02 66.85 1g4f s SER 71 CO 0.00 -0.93 0.63 -1.20 0.98 0.00 0.00 173.24 172.72 1g4f n SER 72 N -0.27 -1.52 -3.16 7.02 7.64 -1.26 -4.10 113.62 117.97 1g4f n SER 72 Ca -0.17 0.11 -0.13 0.00 1.01 0.00 0.00 58.87 59.69 1g4f n SER 72 Cb 0.64 -1.22 0.01 0.00 -1.01 0.00 0.00 64.21 62.63 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 -3.00 -5.85 0.35 -3.43 4.32 -1.26 -4.92 117.00 103.21 1g4f n LEU 73 Ca 0.05 0.03 -0.15 0.00 -0.02 0.00 0.00 56.01 55.92 1g4f n LEU 73 Cb 0.55 -2.83 -0.08 0.00 -1.62 0.00 0.00 43.42 39.45 1g4f n LEU 73 CO 0.52 -1.21 0.45 0.00 -1.22 0.00 0.00 177.39 175.93 1g4f h ALA 74 N 1.45 -0.90 -0.65 -1.18 0.00 -2.03 -3.48 119.26 112.46 1g4f h ALA 74 Ca -0.19 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1g4f h ALA 74 Cb 1.13 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1g4f h ALA 74 CO 0.26 -0.88 0.00 1.19 0.00 0.00 0.00 179.25 179.82 1g4f n PHE 75 N -5.40 -0.95 -0.55 0.00 3.72 -1.26 -2.43 117.46 110.59 1g4f n PHE 75 Ca -0.12 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.09 1g4f n PHE 75 Cb 0.37 0.11 -0.02 0.00 -0.94 0.00 0.00 39.48 39.00 1g4f n PHE 75 CO 0.00 0.00 0.00 1.87 -0.05 0.00 0.00 176.76 178.58 1g4f n TRP 76 N -0.45 0.95 -2.87 1.38 -0.00 -1.26 -4.88 117.44 110.32 1g4f n TRP 76 Ca 0.00 -1.45 -0.37 0.00 -0.00 0.00 0.00 57.50 55.68 1g4f n TRP 76 Cb 0.00 -1.32 -0.06 0.00 -0.00 0.00 0.00 31.31 29.93 1g4f n TRP 76 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 177.69 176.10 1g4f s LYS 77 N 4.21 4.48 -0.57 5.87 -2.85 -1.02 -5.01 119.74 124.86 1g4f s LYS 77 Ca 0.31 1.20 0.07 0.00 -1.00 0.00 0.00 55.97 56.54 1g4f s LYS 77 Cb 0.08 -2.80 0.26 0.00 -2.06 0.00 0.00 37.83 33.30 1g4f s LYS 77 CO 0.01 0.30 0.70 2.41 0.10 0.00 0.00 175.35 178.87 1g4f n THR 78 N 0.57 1.54 -1.19 3.79 -1.04 -1.26 -5.06 114.28 111.63 1g4f n THR 78 Ca 0.01 -4.91 -0.36 0.00 -2.04 0.00 0.00 64.05 56.75 1g4f n THR 78 Cb 0.50 -2.00 0.07 0.00 -1.82 0.00 0.00 70.33 67.08 1g4f n THR 78 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1g4f n ASP 79 N 0.93 -1.89 -0.39 8.00 5.68 -1.26 -4.46 116.55 123.15 1g4f n ASP 79 Ca 0.28 0.54 0.33 0.00 -0.50 0.00 0.00 54.79 55.43 1g4f n ASP 79 Cb 0.45 -1.15 0.60 0.00 -1.14 0.00 0.00 41.12 39.88 1g4f n ASP 79 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1g4f h ALA 80 N -0.52 2.44 0.00 2.12 0.00 -1.87 1.82 119.26 123.25 1g4f h ALA 80 Ca -0.45 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1g4f h ALA 80 Cb 1.35 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1g4f h ALA 80 CO 0.40 -1.10 0.10 0.77 0.00 0.00 0.00 179.25 179.43 1g4f h SER 81 N 0.12 0.00 0.00 0.00 0.02 -1.86 -1.22 113.55 110.61 1g4f h SER 81 Ca 0.81 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.70 1g4f h SER 81 Cb 2.30 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 64.71 1g4f h SER 81 CO -0.54 0.00 -0.67 0.47 -1.14 0.00 0.00 176.83 174.95 1g4f n ASP 82 N -2.27 1.45 -4.50 3.07 8.00 0.62 -5.05 116.55 117.87 1g4f n ASP 82 Ca -0.01 -3.19 -0.30 0.00 0.71 0.00 0.00 54.79 51.99 1g4f n ASP 82 Cb 0.14 -0.44 -0.12 0.00 -0.02 0.00 0.00 41.12 40.68 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 -2.05 3.02 0.39 2.53 1.01 -0.46 -4.80 120.40 120.03 1g4f s VAL 83 Ca 0.36 -1.22 -0.23 0.00 0.00 0.00 0.00 61.98 60.88 1g4f s VAL 83 Cb 0.37 -2.33 -0.10 0.00 0.00 0.00 0.00 36.38 34.32 1g4f s VAL 83 CO -0.10 0.25 0.98 -0.75 0.00 0.00 0.00 175.10 175.48 1g4f s LYS 84 N -1.73 4.29 0.56 2.72 2.20 -1.26 -4.64 119.74 121.88 1g4f s LYS 84 Ca 0.17 1.32 -0.21 0.00 -0.36 0.00 0.00 55.97 56.89 1g4f s LYS 84 Cb -0.11 -2.47 -0.04 0.00 -1.51 0.00 0.00 37.83 33.70 1g4f s LYS 84 CO 0.08 0.00 1.33 -2.14 -0.36 0.00 0.00 175.35 174.26 1g4f s PRO 85 N -2.63 3.04 0.00 4.03 0.02 -1.26 -1.11 135.00 137.10 1g4f s PRO 85 Ca 0.58 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.75 1g4f s PRO 85 Cb -0.16 -2.16 0.00 0.00 0.02 0.00 0.00 34.50 32.19 1g4f s PRO 85 CO 0.21 -1.24 0.50 0.00 -0.33 0.00 0.00 177.00 176.14