#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 1.72 -3.12 -0.78 5.02 -1.26 -4.81 118.16 114.93 1g4f n LYS 2 Ca 0.00 -4.36 -0.39 0.00 -2.02 0.00 0.00 58.31 51.54 1g4f n LYS 2 Cb 0.00 -2.21 -0.06 0.00 -0.02 0.00 0.00 35.03 32.74 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 -1.40 3.48 1.00 7.82 0.00 -1.26 -4.77 121.76 126.63 1g4f s ALA 3 Ca 0.27 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.41 1g4f s ALA 3 Cb -0.01 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.28 1g4f s ALA 3 CO -0.16 0.24 0.00 -1.13 0.00 0.00 0.00 175.76 174.71 1g4f n SER 4 N 2.19 0.00 -0.61 0.00 3.41 -1.26 -0.98 113.62 116.36 1g4f n SER 4 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1g4f n SER 4 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 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 0.03 0.34 -0.93 0.00 2.20 -1.26 -3.53 119.74 116.58 1g4f s LYS 6 Ca 0.00 0.30 -0.32 0.00 -0.36 0.00 0.00 55.97 55.60 1g4f s LYS 6 Cb 0.00 -0.56 -0.21 0.00 -1.51 0.00 0.00 37.83 35.55 1g4f s LYS 6 CO 0.00 -0.79 2.64 1.47 -0.36 0.00 0.00 175.35 178.32 1g4f n LEU 7 N 5.35 0.44 0.28 5.43 -0.00 -1.26 -4.71 117.00 122.53 1g4f n LEU 7 Ca -0.03 0.18 0.16 0.00 -0.00 0.00 0.00 56.01 56.33 1g4f n LEU 7 Cb 0.49 -0.96 0.81 0.00 -0.00 0.00 0.00 43.42 43.77 1g4f n LEU 7 CO 0.04 -0.77 1.02 1.55 -0.00 0.00 0.00 177.39 179.23 1g4f h PRO 8 N 12.21 0.00 0.00 1.47 0.14 -1.99 -3.44 132.00 140.39 1g4f h PRO 8 Ca -0.07 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.07 1g4f h PRO 8 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.46 1g4f h PRO 8 CO 1.35 0.06 0.00 0.28 0.14 0.00 0.00 178.00 179.84 1g4f n VAL 9 N -3.32 0.00 0.00 1.56 0.31 -1.26 -5.09 118.33 110.54 1g4f n VAL 9 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1g4f n VAL 9 Cb 0.23 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 1g4f n VAL 9 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1g4f n LYS 10 N 0.00 1.74 -3.04 5.55 3.00 -1.26 -4.97 118.16 119.18 1g4f n LYS 10 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.14 1g4f n LYS 10 Cb 0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 35.03 34.46 1g4f n LYS 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1g4f n LYS 11 N -0.53 0.84 -3.37 1.64 5.02 -1.26 -4.01 118.16 116.50 1g4f n LYS 11 Ca 0.00 -2.80 -0.37 0.00 -2.02 0.00 0.00 58.31 53.11 1g4f n LYS 11 Cb 0.04 -1.37 -0.06 0.00 -0.02 0.00 0.00 35.03 33.62 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 -0.97 3.62 -0.51 7.82 0.00 -1.26 -4.90 121.76 125.56 1g4f s ALA 12 Ca 0.34 -0.09 -0.09 0.00 0.00 0.00 0.00 51.96 52.12 1g4f s ALA 12 Cb 0.25 -2.53 0.13 0.00 0.00 0.00 0.00 23.12 20.97 1g4f s ALA 12 CO -0.12 0.44 0.39 0.99 0.00 0.00 0.00 175.76 177.46 1g4f s THR 13 N -1.21 4.33 0.21 0.00 2.01 -1.26 -1.23 115.64 118.49 1g4f s THR 13 Ca 0.30 -1.91 0.02 0.00 0.31 0.00 0.00 61.69 60.42 1g4f s THR 13 Cb -0.17 -3.83 0.02 0.00 0.01 0.00 0.00 72.50 68.53 1g4f s THR 13 CO 0.18 -0.81 0.18 1.33 -0.69 0.00 0.00 174.62 174.81 1g4f n VAL 14 N 4.76 0.00 -3.68 3.82 0.24 -0.95 -4.15 118.33 118.37 1g4f n VAL 14 Ca -0.06 -0.80 -0.29 0.00 -2.04 0.00 0.00 64.34 61.15 1g4f n VAL 14 Cb 0.41 -0.43 -0.13 0.00 -1.47 0.00 0.00 33.84 32.22 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 -0.88 1.21 0.11 3.34 1.01 0.27 -2.18 120.40 123.29 1g4f s VAL 15 Ca 0.14 -2.37 -0.08 0.00 0.00 0.00 0.00 61.98 59.66 1g4f s VAL 15 Cb -0.01 -1.86 -0.06 0.00 0.00 0.00 0.00 36.38 34.45 1g4f s VAL 15 CO 0.09 -0.89 0.40 -0.47 0.00 0.00 0.00 175.10 174.23 1g4f s TYR 16 N 0.53 3.54 -1.19 5.22 5.04 -0.18 -3.13 117.35 127.18 1g4f s TYR 16 Ca 0.17 0.72 -0.08 0.00 -2.44 0.00 0.00 57.07 55.44 1g4f s TYR 16 Cb -0.24 -2.12 0.07 0.00 0.35 0.00 0.00 41.96 40.02 1g4f s TYR 16 CO -0.01 0.48 0.40 1.04 -1.34 0.00 0.00 175.55 176.12 1g4f n GLN 17 N 0.60 -3.10 -2.71 4.97 1.13 -1.26 0.93 117.38 117.94 1g4f n GLN 17 Ca -0.06 0.44 -0.19 0.00 -1.94 0.00 0.00 57.00 55.26 1g4f n GLN 17 Cb 0.52 -5.11 0.02 0.00 0.11 0.00 0.00 30.24 25.78 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 -1.07 -0.35 2.93 1.08 0.00 -1.26 -4.99 105.19 101.53 1g4f n GLY 18 Ca -0.02 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 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 -5.31 0.44 0.10 1.61 0.41 0.27 -5.11 118.70 111.10 1g4f s GLU 19 Ca 0.17 -0.14 -0.30 0.00 -0.41 0.00 0.00 54.97 54.29 1g4f s GLU 19 Cb -0.08 -0.45 -0.06 0.00 -1.78 0.00 0.00 34.13 31.77 1g4f s GLU 19 CO 0.21 0.06 0.95 1.03 -0.49 0.00 0.00 175.26 177.03 1g4f s ARG 20 N 0.12 4.68 -0.05 1.61 0.52 -1.26 -1.01 118.95 123.56 1g4f s ARG 20 Ca -0.01 1.43 -0.31 0.00 -0.52 0.00 0.00 55.73 56.32 1g4f s ARG 20 Cb -0.05 -3.38 0.07 0.00 0.52 0.00 0.00 34.95 32.11 1g4f s ARG 20 CO -0.00 0.20 0.69 0.14 0.02 0.00 0.00 175.30 176.35 1g4f s VAL 21 N 0.07 0.00 -0.03 3.52 -7.23 -0.92 -4.96 120.40 110.85 1g4f s VAL 21 Ca 0.47 0.00 -0.21 0.00 -1.81 0.00 0.00 61.98 60.42 1g4f s VAL 21 Cb -0.23 -1.00 -0.05 0.00 0.56 0.00 0.00 36.38 35.66 1g4f s VAL 21 CO 0.29 0.00 0.63 -0.54 -0.31 0.00 0.00 175.10 175.17 1g4f s LYS 22 N -1.22 4.37 0.14 4.82 -0.14 -1.26 -2.23 119.74 124.22 1g4f s LYS 22 Ca -0.10 0.77 0.17 0.00 -1.36 0.00 0.00 55.97 55.45 1g4f s LYS 22 Cb -0.00 -3.38 0.75 0.00 -1.68 0.00 0.00 37.83 33.52 1g4f s LYS 22 CO 0.09 0.26 1.53 1.51 -0.76 0.00 0.00 175.35 177.98 1g4f n ILE 23 N 3.12 1.05 0.21 2.17 3.06 -0.37 -1.89 119.36 126.72 1g4f n ILE 23 Ca -0.05 0.33 0.07 0.00 -2.50 0.00 0.00 62.75 60.59 1g4f n ILE 23 Cb 0.51 -1.21 0.48 0.00 0.54 0.00 0.00 39.64 39.97 1g4f n ILE 23 CO 0.00 0.00 0.00 0.06 -2.50 0.00 0.00 176.55 174.11 1g4f h GLN 24 N 0.00 0.00 0.00 9.51 3.07 -1.81 -2.89 115.11 122.99 1g4f h GLN 24 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.69 1g4f h GLN 24 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.79 1g4f h GLN 24 CO 0.00 0.27 -0.93 0.39 0.09 0.00 0.00 178.83 178.65 1g4f n GLU 25 N -3.84 0.09 0.23 0.06 -0.58 -0.99 -3.90 120.64 111.70 1g4f n GLU 25 Ca -0.02 0.04 0.18 0.00 -0.42 0.00 0.00 57.16 56.94 1g4f n GLU 25 Cb 0.36 -0.65 0.85 0.00 -0.57 0.00 0.00 31.44 31.42 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 -0.16 0.00 -0.48 3.49 1.63 -1.55 -2.12 116.57 117.38 1g4f h LYS 26 Ca -0.08 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.40 1g4f h LYS 26 Cb 0.83 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 32.06 1g4f h LYS 26 CO -0.05 0.00 -1.01 1.19 -3.45 0.00 0.00 179.45 176.13 1g4f n PHE 27 N -3.47 1.57 -0.58 1.91 3.72 -1.09 -4.89 117.46 114.63 1g4f n PHE 27 Ca 0.02 -2.04 0.46 0.00 -0.05 0.00 0.00 57.45 55.83 1g4f n PHE 27 Cb 0.38 -0.26 0.75 0.00 -0.94 0.00 0.00 39.48 39.42 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 2.34 0.02 -0.93 -1.08 1.63 -1.43 0.61 116.57 117.72 1g4f h LYS 28 Ca 0.00 -0.00 -0.59 0.00 -0.85 0.00 0.00 60.65 59.21 1g4f h LYS 28 Cb 1.38 -0.00 -0.39 0.00 -0.60 0.00 0.00 32.23 32.62 1g4f h LYS 28 CO 0.34 0.01 -0.32 0.09 -3.45 0.00 0.00 179.45 176.12 1g4f n ASN 29 N -4.28 5.69 0.00 4.20 3.02 -1.26 -4.96 115.26 117.67 1g4f n ASN 29 Ca 0.41 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 51.20 1g4f n ASN 29 Cb 1.74 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 40.38 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 -0.73 -2.57 3.19 7.41 0.00 0.21 -4.81 105.19 107.89 1g4f n GLY 30 Ca 0.49 -1.70 -0.22 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.38 0.82 -2.90 1.61 2.81 -1.23 -4.51 117.12 113.33 1g4f n MET 31 Ca 0.00 -2.90 -0.27 0.00 -1.81 0.00 0.00 57.70 52.72 1g4f n MET 31 Cb 0.00 0.34 -0.01 0.00 -0.71 0.00 0.00 33.22 32.84 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 3.78 0.20 4.03 1.43 -1.26 -0.19 118.68 126.67 1g4f s LEU 32 Ca 0.25 0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 53.86 1g4f s LEU 32 Cb -0.02 -3.72 -0.09 0.00 0.03 0.00 0.00 46.19 42.39 1g4f s LEU 32 CO 0.16 -0.46 1.29 -2.28 0.23 0.00 0.00 176.35 175.29 1g4f s HIS 33 N -2.54 3.28 0.00 0.29 5.65 -1.26 -2.08 115.29 118.63 1g4f s HIS 33 Ca 0.46 1.27 0.00 0.00 0.25 0.00 0.00 55.06 57.03 1g4f s HIS 33 Cb -0.10 -3.57 0.00 0.00 -1.18 0.00 0.00 32.58 27.73 1g4f s HIS 33 CO 0.40 -1.74 0.00 0.41 -0.65 0.00 0.00 174.74 173.16 1g4f n GLY 34 N 2.27 0.91 3.70 1.59 0.00 0.24 -4.92 105.19 108.98 1g4f n GLY 34 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 3.81 -4.69 1.61 2.03 -0.89 -4.34 116.55 114.08 1g4f n ASP 35 Ca 0.00 1.04 -0.36 0.00 0.52 0.00 0.00 54.79 56.00 1g4f n ASP 35 Cb 0.00 -1.53 -0.09 0.00 -0.72 0.00 0.00 41.12 38.78 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 1.58 4.12 -0.00 -0.67 -0.14 -1.26 -0.33 119.74 123.04 1g4f s LYS 36 Ca 0.78 -0.23 -0.00 0.00 -1.36 0.00 0.00 55.97 55.16 1g4f s LYS 36 Cb -0.54 -3.49 -0.00 0.00 -1.68 0.00 0.00 37.83 32.12 1g4f s LYS 36 CO 0.35 0.15 0.01 0.54 -0.76 0.00 0.00 175.35 175.64 1g4f s VAL 37 N 0.79 0.01 0.07 3.17 0.11 -0.90 -4.55 120.40 119.09 1g4f s VAL 37 Ca 0.08 -0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.10 1g4f s VAL 37 Cb -0.13 -0.04 -0.04 0.00 -1.53 0.00 0.00 36.38 34.64 1g4f s VAL 37 CO 0.02 -0.03 0.06 -0.44 -3.33 0.00 0.00 175.10 171.38 1g4f s SER 38 N -0.09 5.46 0.05 3.54 0.01 -1.18 0.27 113.70 121.74 1g4f s SER 38 Ca -0.01 -0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.25 1g4f s SER 38 Cb -0.01 -1.45 -0.04 0.00 0.21 0.00 0.00 66.02 64.73 1g4f s SER 38 CO -0.00 0.19 0.09 -0.36 0.41 0.00 0.00 173.24 173.57 1g4f s PHE 39 N -1.34 3.24 0.02 2.43 0.40 -0.77 -0.56 117.98 121.40 1g4f s PHE 39 Ca 0.28 0.14 -0.28 0.00 -0.60 0.00 0.00 56.93 56.46 1g4f s PHE 39 Cb -0.12 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 1g4f s PHE 39 CO 0.20 0.53 0.88 -0.06 0.70 0.00 0.00 175.22 177.47 1g4f s PHE 40 N -1.32 3.70 0.26 0.36 0.08 -1.26 -0.09 117.98 119.70 1g4f s PHE 40 Ca 0.27 1.59 0.02 0.00 0.12 0.00 0.00 56.93 58.93 1g4f s PHE 40 Cb -0.12 -2.98 -0.04 0.00 -0.57 0.00 0.00 43.02 39.31 1g4f s PHE 40 CO 0.19 0.12 0.16 0.00 -0.10 0.00 0.00 175.22 175.59 1g4f s LYS 42 N -3.93 1.38 -0.43 0.00 -2.85 -1.26 -1.21 119.74 111.43 1g4f s LYS 42 Ca 0.38 -1.36 -0.04 0.00 -1.00 0.00 0.00 55.97 53.96 1g4f s LYS 42 Cb 0.06 -1.79 0.11 0.00 -2.06 0.00 0.00 37.83 34.15 1g4f s LYS 42 CO 0.16 0.41 0.23 1.21 0.10 0.00 0.00 175.35 177.47 1g4f s ASN 43 N -2.18 5.32 0.48 0.03 3.84 0.63 -4.93 114.94 118.13 1g4f s ASN 43 Ca 0.14 -2.05 0.17 0.00 0.21 0.00 0.00 52.86 51.34 1g4f s ASN 43 Cb -0.09 -1.86 1.18 0.00 -0.55 0.00 0.00 41.25 39.93 1g4f s ASN 43 CO 0.06 -0.56 2.03 0.50 -2.79 0.00 0.00 177.10 176.35 1g4f h LYS 44 N 8.07 0.19 0.48 0.43 1.63 -1.94 2.10 116.57 127.53 1g4f h LYS 44 Ca -0.14 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.63 1g4f h LYS 44 Cb 1.05 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.64 1g4f h LYS 44 CO 0.72 0.13 -0.23 1.49 -3.45 0.00 0.00 179.45 178.11 1g4f h GLU 45 N 0.20 -0.63 -0.00 1.90 4.57 -1.95 -3.22 114.58 115.46 1g4f h GLU 45 Ca 0.19 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 1g4f h GLU 45 Cb 0.49 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1g4f h GLU 45 CO -0.03 -0.33 -0.19 1.63 -1.18 0.00 0.00 179.01 178.90 1g4f n LYS 46 N -5.23 0.28 -2.45 1.92 5.02 -1.07 -4.92 118.16 111.72 1g4f n LYS 46 Ca -0.10 -0.10 -0.18 0.00 -2.02 0.00 0.00 58.31 55.92 1g4f n LYS 46 Cb 0.30 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.81 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 -1.27 -1.95 -4.35 1.97 4.76 0.71 -4.99 118.16 113.03 1g4f n LYS 47 Ca 0.10 0.82 -0.18 0.00 -2.87 0.00 0.00 58.31 56.18 1g4f n LYS 47 Cb 0.31 -5.30 -0.10 0.00 -1.84 0.00 0.00 35.03 28.10 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 -3.37 5.08 0.38 0.00 1.04 -0.21 0.23 113.70 116.86 1g4f s SER 49 Ca 0.36 -0.68 -0.14 0.00 0.48 0.00 0.00 55.95 55.97 1g4f s SER 49 Cb 0.07 -0.71 0.06 0.00 0.10 0.00 0.00 66.02 65.53 1g4f s SER 49 CO 0.15 -0.52 0.76 0.00 0.98 0.00 0.00 173.24 174.60 1g4f n TYR 50 N -1.45 -2.32 -4.61 5.02 4.11 -0.35 -2.09 117.16 115.47 1g4f n TYR 50 Ca 0.01 -1.79 -0.31 0.00 -0.00 0.00 0.00 57.90 55.81 1g4f n TYR 50 Cb 0.61 0.89 -0.12 0.00 -0.00 0.00 0.00 39.34 40.72 1g4f n TYR 50 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1g4f s THR 51 N -2.14 2.96 -0.65 -3.48 -4.23 -1.26 -0.89 115.64 105.95 1g4f s THR 51 Ca 0.15 -1.11 -0.06 0.00 -1.18 0.00 0.00 61.69 59.50 1g4f s THR 51 Cb -0.05 -2.26 0.17 0.00 1.34 0.00 0.00 72.50 71.70 1g4f s THR 51 CO 0.11 0.34 0.50 -1.61 -0.54 0.00 0.00 174.62 173.43 1g4f s GLU 52 N -1.45 2.77 0.40 3.99 2.02 0.87 -4.77 118.70 122.53 1g4f s GLU 52 Ca 0.15 -2.45 -0.23 0.00 0.02 0.00 0.00 54.97 52.47 1g4f s GLU 52 Cb -0.11 -3.89 -0.13 0.00 0.10 0.00 0.00 34.13 30.10 1g4f s GLU 52 CO 0.06 -1.20 0.55 -0.25 0.02 0.00 0.00 175.26 174.44 1g4f n ASP 53 N 3.71 -0.85 -3.80 -0.19 9.92 -1.26 -1.85 116.55 122.23 1g4f n ASP 53 Ca 0.08 0.93 -0.21 0.00 -0.53 0.00 0.00 54.79 55.05 1g4f n ASP 53 Cb 0.40 -1.11 -0.08 0.00 -0.64 0.00 0.00 41.12 39.69 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 -1.44 2.27 0.01 2.24 0.00 0.75 -4.83 121.76 120.77 1g4f s ALA 54 Ca 0.63 -1.67 -0.00 0.00 0.00 0.00 0.00 51.96 50.91 1g4f s ALA 54 Cb -0.62 1.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 1g4f s ALA 54 CO 0.58 -0.51 -0.01 -1.14 0.00 0.00 0.00 175.76 174.69 1g4f s GLN 55 N -3.64 0.20 -0.01 0.00 0.74 -1.26 -2.13 119.66 113.56 1g4f s GLN 55 Ca 0.33 -0.36 -0.03 0.00 0.05 0.00 0.00 55.36 55.35 1g4f s GLN 55 Cb 0.03 0.07 -0.04 0.00 1.10 0.00 0.00 33.01 34.17 1g4f s GLN 55 CO 0.20 -0.03 0.18 0.00 -0.55 0.00 0.00 175.29 175.09 1g4f s ILE 57 N -1.33 0.49 -0.88 0.00 -1.09 0.10 0.80 121.20 119.29 1g4f s ILE 57 Ca 0.27 -2.00 -0.27 0.00 -2.23 0.00 0.00 60.65 56.42 1g4f s ILE 57 Cb -0.13 -2.46 -0.20 0.00 -1.58 0.00 0.00 42.46 38.09 1g4f s ILE 57 CO 0.19 0.00 2.57 -0.67 -1.23 0.00 0.00 174.94 175.80 1g4f n ASP 58 N -1.13 0.61 -1.22 3.58 2.03 -1.23 -1.05 116.55 118.13 1g4f n ASP 58 Ca -0.02 -0.11 -0.09 0.00 0.52 0.00 0.00 54.79 55.10 1g4f n ASP 58 Cb 0.65 -1.05 -0.04 0.00 -0.72 0.00 0.00 41.12 39.96 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 6.30 0.84 2.85 0.27 0.00 0.57 -4.83 105.19 111.20 1g4f n GLY 59 Ca 0.59 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.73 -0.01 -0.03 2.61 2.01 -0.22 -4.74 115.64 113.53 1g4f s THR 60 Ca 0.00 0.05 -0.07 0.00 0.31 0.00 0.00 61.69 61.98 1g4f s THR 60 Cb 0.00 -0.03 0.01 0.00 0.01 0.00 0.00 72.50 72.49 1g4f s THR 60 CO 0.00 0.02 0.15 -0.51 -0.69 0.00 0.00 174.62 173.59 1g4f s ILE 61 N 0.24 0.04 -0.57 1.82 2.07 -1.26 0.00 121.20 123.54 1g4f s ILE 61 Ca -0.02 -0.33 -0.05 0.00 -1.41 0.00 0.00 60.65 58.83 1g4f s ILE 61 Cb -0.03 -0.33 0.15 0.00 0.13 0.00 0.00 42.46 42.38 1g4f s ILE 61 CO -0.01 -0.18 0.41 -0.70 -1.91 0.00 0.00 174.94 172.55 1g4f s GLU 62 N -0.62 2.55 0.31 3.50 -6.30 -1.26 -5.03 118.70 111.84 1g4f s GLU 62 Ca -0.07 -2.23 -0.29 0.00 -2.50 0.00 0.00 54.97 49.88 1g4f s GLU 62 Cb -0.04 -3.82 -0.11 0.00 0.00 0.00 0.00 34.13 30.16 1g4f s GLU 62 CO 0.01 -1.17 1.49 0.08 0.02 0.00 0.00 175.26 175.69 1g4f s VAL 63 N 0.48 2.28 0.53 3.70 1.01 -1.26 -4.76 120.40 122.39 1g4f s VAL 63 Ca 0.13 0.26 -0.22 0.00 0.00 0.00 0.00 61.98 62.15 1g4f s VAL 63 Cb -0.21 -3.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 1g4f s VAL 63 CO -0.04 0.05 1.29 -2.65 0.00 0.00 0.00 175.10 173.76 1g4f n PRO 64 N 1.55 1.62 -0.23 2.72 -0.01 -1.26 -4.88 135.00 134.52 1g4f n PRO 64 Ca 0.05 0.60 0.03 0.00 -0.01 0.00 0.00 63.50 64.16 1g4f n PRO 64 Cb 0.39 -2.49 0.13 0.00 -0.01 0.00 0.00 33.50 31.52 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 1.41 0.13 -0.15 -0.52 1.57 -2.00 -2.50 116.57 114.52 1g4f h LYS 65 Ca -0.50 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.29 1g4f h LYS 65 Cb 1.31 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 1g4f h LYS 65 CO 0.57 0.09 -0.14 0.00 -0.57 0.00 0.00 179.45 179.39 1g4f n PHE 67 N -3.43 -3.26 -3.37 0.00 7.35 -0.94 -4.62 117.46 109.19 1g4f n PHE 67 Ca -0.00 1.80 -0.35 0.00 -0.76 0.00 0.00 57.45 58.13 1g4f n PHE 67 Cb 0.08 -2.95 -0.05 0.00 0.35 0.00 0.00 39.48 36.91 1g4f n PHE 67 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1g4f n LYS 68 N -4.04 3.19 -0.07 -4.13 0.00 -1.26 -4.93 118.16 106.91 1g4f n LYS 68 Ca -0.08 -4.57 -0.04 0.00 0.00 0.00 0.00 58.31 53.63 1g4f n LYS 68 Cb 0.56 -2.39 0.03 0.00 0.00 0.00 0.00 35.03 33.23 1g4f n LYS 68 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1g4f n GLU 69 N 1.52 -1.88 -4.35 1.64 0.28 -1.26 -4.79 120.64 111.79 1g4f n GLU 69 Ca 0.26 -0.20 -0.30 0.00 -0.16 0.00 0.00 57.16 56.76 1g4f n GLU 69 Cb 0.37 -0.22 -0.04 0.00 1.43 0.00 0.00 31.44 32.98 1g4f n GLU 69 CO 0.00 0.00 0.00 -3.38 -0.16 0.00 0.00 177.13 173.59 1g4f s HIS 70 N -1.19 1.64 0.05 -1.84 -3.43 -1.26 -5.11 115.29 104.16 1g4f s HIS 70 Ca 0.09 -0.94 -0.03 0.00 -0.80 0.00 0.00 55.06 53.38 1g4f s HIS 70 Cb -0.01 -1.74 -0.02 0.00 -1.43 0.00 0.00 32.58 29.37 1g4f s HIS 70 CO 0.07 -0.16 0.04 -1.12 -2.00 0.00 0.00 174.74 171.57 1g4f s SER 71 N -4.10 0.33 0.00 7.38 0.01 -1.26 -5.17 113.70 110.89 1g4f s SER 71 Ca 0.17 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1g4f s SER 71 Cb -0.01 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1g4f s SER 71 CO 0.11 -0.57 0.00 -0.24 0.41 0.00 0.00 173.24 172.94 1g4f n SER 72 N 0.38 0.00 -0.01 2.44 2.88 -1.26 -5.04 113.62 113.01 1g4f n SER 72 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1g4f n SER 72 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1g4f n SER 72 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1g4f n LEU 73 N 0.00 0.00 -4.59 2.46 4.77 -1.26 -4.62 117.00 113.77 1g4f n LEU 73 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 1g4f n LEU 73 Cb 0.00 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.30 1g4f n LEU 73 CO 0.00 -0.17 0.58 0.00 -1.33 0.00 0.00 177.39 176.48 1g4f s ALA 74 N -1.31 0.27 -0.92 -1.18 0.00 -1.26 -4.97 121.76 112.39 1g4f s ALA 74 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 51.96 51.70 1g4f s ALA 74 Cb 0.00 -3.19 0.23 0.00 0.00 0.00 0.00 23.12 20.16 1g4f s ALA 74 CO 0.00 -3.33 0.83 0.12 0.00 0.00 0.00 175.76 173.38 1g4f s PHE 75 N -2.72 3.95 -0.38 0.00 5.36 -1.26 -4.84 117.98 118.10 1g4f s PHE 75 Ca 0.67 -2.96 0.12 0.00 -0.96 0.00 0.00 56.93 53.80 1g4f s PHE 75 Cb -0.22 -3.35 0.38 0.00 -0.34 0.00 0.00 43.02 39.50 1g4f s PHE 75 CO 0.61 -0.78 0.97 0.91 -1.46 0.00 0.00 175.22 175.47 1g4f n TRP 76 N 2.43 -0.56 0.00 10.12 8.01 -1.26 -4.91 117.44 131.28 1g4f n TRP 76 Ca 0.21 -2.90 0.00 0.00 -1.31 0.00 0.00 57.50 53.50 1g4f n TRP 76 Cb 0.37 0.31 0.00 0.00 -2.01 0.00 0.00 31.31 29.98 1g4f n TRP 76 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 1g4f n LYS 77 N 0.06 1.29 -3.29 -0.99 3.00 -1.26 -5.08 118.16 111.90 1g4f n LYS 77 Ca 0.12 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.31 1g4f n LYS 77 Cb 0.74 -0.87 0.00 0.00 0.00 0.00 0.00 35.03 34.91 1g4f n LYS 77 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1g4f n THR 78 N -1.96 -7.75 -1.08 3.15 -1.04 -1.26 -4.98 114.28 99.35 1g4f n THR 78 Ca 0.00 0.02 -0.12 0.00 -2.04 0.00 0.00 64.05 61.91 1g4f n THR 78 Cb 0.37 -5.51 0.09 0.00 -1.82 0.00 0.00 70.33 63.46 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 -1.67 -0.62 -0.33 8.00 5.75 -1.26 -4.45 116.55 121.97 1g4f n ASP 79 Ca -0.09 -1.01 0.29 0.00 -0.01 0.00 0.00 54.79 53.98 1g4f n ASP 79 Cb 0.57 -0.41 0.53 0.00 -1.03 0.00 0.00 41.12 40.78 1g4f n ASP 79 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1g4f h ALA 80 N -2.09 1.98 -0.14 2.12 0.00 -1.84 1.21 119.26 120.50 1g4f h ALA 80 Ca -0.17 0.28 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1g4f h ALA 80 Cb 0.49 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1g4f h ALA 80 CO 0.12 -0.88 0.59 0.66 0.00 0.00 0.00 179.25 179.73 1g4f h SER 81 N 0.00 0.00 0.00 0.00 4.64 -1.88 -1.45 113.55 114.86 1g4f h SER 81 Ca 0.80 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.97 1g4f h SER 81 Cb 2.06 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 63.81 1g4f h SER 81 CO -0.80 0.00 -0.96 0.47 -0.87 0.00 0.00 176.83 174.67 1g4f n ASP 82 N -2.94 0.91 -4.85 4.97 8.00 0.41 -5.08 116.55 117.97 1g4f n ASP 82 Ca 0.02 -2.05 -0.34 0.00 0.71 0.00 0.00 54.79 53.12 1g4f n ASP 82 Cb 0.66 -0.29 -0.06 0.00 -0.02 0.00 0.00 41.12 41.41 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 -0.10 5.16 0.28 2.53 1.01 -0.55 -4.83 120.40 123.91 1g4f s VAL 83 Ca 0.30 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.84 1g4f s VAL 83 Cb 0.34 -3.34 -0.10 0.00 0.00 0.00 0.00 36.38 33.29 1g4f s VAL 83 CO -0.15 0.43 1.26 -1.59 0.00 0.00 0.00 175.10 175.05 1g4f s LYS 84 N -1.57 4.43 0.37 2.72 -2.85 -1.26 -4.53 119.74 117.05 1g4f s LYS 84 Ca 0.22 2.07 -0.28 0.00 -1.00 0.00 0.00 55.97 56.98 1g4f s LYS 84 Cb -0.12 -3.14 -0.10 0.00 -2.06 0.00 0.00 37.83 32.41 1g4f s LYS 84 CO 0.12 -0.12 1.39 -1.25 0.10 0.00 0.00 175.35 175.59 1g4f s PRO 85 N -1.17 4.12 0.00 1.78 0.05 -1.26 -1.04 135.00 137.48 1g4f s PRO 85 Ca 0.50 2.36 0.00 0.00 0.05 0.00 0.00 61.00 63.91 1g4f s PRO 85 Cb -0.37 -2.93 0.00 0.00 0.05 0.00 0.00 34.50 31.25 1g4f s PRO 85 CO 0.45 -0.44 0.33 0.00 0.05 0.00 0.00 177.00 177.39