#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 0.00 -2.83 -0.78 2.85 -1.26 -5.03 118.16 111.12 1g4f n LYS 2 Ca 0.00 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.86 1g4f n LYS 2 Cb 0.00 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.32 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 0.00 3.38 1.41 0.58 0.00 -1.26 -4.63 121.76 121.23 1g4f s ALA 3 Ca 0.00 0.53 -0.21 0.00 0.00 0.00 0.00 51.96 52.28 1g4f s ALA 3 Cb 0.00 -3.12 0.36 0.00 0.00 0.00 0.00 23.12 20.36 1g4f s ALA 3 CO 0.00 0.24 0.93 0.45 0.00 0.00 0.00 175.76 177.37 1g4f s SER 4 N -1.16 -0.96 0.00 0.00 0.15 -1.26 -0.93 113.70 109.55 1g4f s SER 4 Ca 0.39 0.99 0.00 0.00 0.70 0.00 0.00 55.95 58.03 1g4f s SER 4 Cb -0.25 -1.44 0.00 0.00 -1.71 0.00 0.00 66.02 62.62 1g4f s SER 4 CO 0.30 -5.32 0.00 0.00 1.20 0.00 0.00 173.24 169.42 1g4f s LYS 6 N 1.68 0.85 -0.84 0.00 -0.14 -1.26 -3.54 119.74 116.49 1g4f s LYS 6 Ca 0.00 -0.12 -0.34 0.00 -1.36 0.00 0.00 55.97 54.16 1g4f s LYS 6 Cb 0.00 -1.40 -0.20 0.00 -1.68 0.00 0.00 37.83 34.55 1g4f s LYS 6 CO 0.00 -0.38 2.54 1.47 -0.76 0.00 0.00 175.35 178.23 1g4f n LEU 7 N 5.07 0.59 0.09 3.17 -0.00 -1.26 -4.73 117.00 119.93 1g4f n LEU 7 Ca -0.09 0.25 0.05 0.00 -0.00 0.00 0.00 56.01 56.22 1g4f n LEU 7 Cb 0.49 -0.97 0.47 0.00 -0.00 0.00 0.00 43.42 43.41 1g4f n LEU 7 CO 0.13 -0.79 1.07 1.55 -0.00 0.00 0.00 177.39 179.35 1g4f h PRO 8 N 11.89 0.34 -5.30 1.47 0.13 -1.97 -3.44 132.00 135.12 1g4f h PRO 8 Ca -0.08 -0.03 -0.48 0.00 -0.87 0.00 0.00 66.00 64.54 1g4f h PRO 8 Cb 1.33 -0.07 -0.14 0.00 0.13 0.00 0.00 31.00 32.25 1g4f h PRO 8 CO 1.30 0.28 -0.62 0.08 -0.23 0.00 0.00 178.00 178.80 1g4f s VAL 9 N -5.21 1.32 -1.40 1.56 1.01 -1.26 -5.04 120.40 111.39 1g4f s VAL 9 Ca -0.07 -2.03 0.16 0.00 0.00 0.00 0.00 61.98 60.04 1g4f s VAL 9 Cb 0.17 -2.71 0.42 0.00 0.00 0.00 0.00 36.38 34.26 1g4f s VAL 9 CO 0.72 -0.08 1.35 1.17 0.00 0.00 0.00 175.10 178.25 1g4f n LYS 10 N -0.67 2.71 -2.19 2.72 3.00 -1.26 -4.35 118.16 118.13 1g4f n LYS 10 Ca -0.03 -2.25 -0.03 0.00 -0.00 0.00 0.00 58.31 56.00 1g4f n LYS 10 Cb 0.66 -1.39 0.07 0.00 0.00 0.00 0.00 35.03 34.37 1g4f n LYS 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1g4f n LYS 11 N 0.97 0.97 -3.21 1.64 4.81 -1.26 -4.72 118.16 117.37 1g4f n LYS 11 Ca 0.16 -1.13 -0.39 0.00 -0.87 0.00 0.00 58.31 56.08 1g4f n LYS 11 Cb 0.50 0.45 -0.05 0.00 0.02 0.00 0.00 35.03 35.94 1g4f n LYS 11 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1g4f s ALA 12 N 0.09 3.42 -0.24 3.14 0.00 -1.26 -4.97 121.76 121.94 1g4f s ALA 12 Ca 0.06 -0.07 -0.10 0.00 0.00 0.00 0.00 51.96 51.86 1g4f s ALA 12 Cb 0.32 -2.76 -0.05 0.00 0.00 0.00 0.00 23.12 20.63 1g4f s ALA 12 CO -0.09 -0.04 0.14 0.99 0.00 0.00 0.00 175.76 176.76 1g4f s THR 13 N 0.70 5.19 0.00 0.00 2.01 -1.26 -0.45 115.64 121.82 1g4f s THR 13 Ca 0.30 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.42 1g4f s THR 13 Cb -0.16 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 68.93 1g4f s THR 13 CO 0.13 0.34 0.00 1.33 -0.69 0.00 0.00 174.62 175.74 1g4f n VAL 14 N 4.37 0.00 -3.47 3.82 0.24 0.25 -3.43 118.33 120.11 1g4f n VAL 14 Ca -0.15 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 61.87 1g4f n VAL 14 Cb 0.52 -0.14 -0.11 0.00 -1.47 0.00 0.00 33.84 32.64 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 0.03 0.57 0.05 3.34 1.01 0.67 -2.17 120.40 123.90 1g4f s VAL 15 Ca 0.00 -2.55 -0.23 0.00 0.00 0.00 0.00 61.98 59.19 1g4f s VAL 15 Cb 0.00 -1.41 -0.06 0.00 0.00 0.00 0.00 36.38 34.92 1g4f s VAL 15 CO 0.00 -1.14 0.70 -0.47 0.00 0.00 0.00 175.10 174.19 1g4f s TYR 16 N 0.20 3.74 -1.00 5.22 5.04 -0.39 -3.79 117.35 126.37 1g4f s TYR 16 Ca 0.28 1.39 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 1g4f s TYR 16 Cb -0.05 -2.73 0.00 0.00 0.35 0.00 0.00 41.96 39.53 1g4f s TYR 16 CO -0.13 0.35 0.00 1.04 -1.34 0.00 0.00 175.55 175.46 1g4f n GLN 17 N 2.57 -2.09 -1.07 4.97 6.02 -1.26 0.10 117.38 126.62 1g4f n GLN 17 Ca -0.05 0.56 -0.03 0.00 -0.01 0.00 0.00 57.00 57.48 1g4f n GLN 17 Cb 0.50 -5.08 -0.01 0.00 1.02 0.00 0.00 30.24 26.67 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 -0.66 0.58 3.19 1.08 0.00 -1.25 -5.02 105.19 103.11 1g4f n GLY 18 Ca -0.13 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.14 3.03 0.07 1.61 0.41 0.29 -5.07 118.70 116.90 1g4f s GLU 19 Ca 0.00 -0.87 -0.31 0.00 -0.41 0.00 0.00 54.97 53.39 1g4f s GLU 19 Cb 0.00 -2.37 -0.06 0.00 -1.78 0.00 0.00 34.13 29.92 1g4f s GLU 19 CO 0.00 0.07 1.21 1.03 -0.49 0.00 0.00 175.26 177.09 1g4f s ARG 20 N 0.61 4.43 0.04 1.61 0.52 -1.26 -1.26 118.95 123.63 1g4f s ARG 20 Ca -0.12 1.80 -0.16 0.00 -0.52 0.00 0.00 55.73 56.73 1g4f s ARG 20 Cb -0.17 -3.33 0.03 0.00 0.52 0.00 0.00 34.95 32.00 1g4f s ARG 20 CO 0.03 -0.26 0.35 0.14 0.02 0.00 0.00 175.30 175.57 1g4f s VAL 21 N 1.01 0.07 -0.51 3.52 -7.23 -0.92 -4.95 120.40 111.39 1g4f s VAL 21 Ca 0.59 -0.58 -0.24 0.00 -1.81 0.00 0.00 61.98 59.95 1g4f s VAL 21 Cb -0.30 -0.93 0.04 0.00 0.56 0.00 0.00 36.38 35.75 1g4f s VAL 21 CO 0.30 -0.32 0.87 -0.54 -0.31 0.00 0.00 175.10 175.10 1g4f s LYS 22 N -2.46 3.35 0.47 4.82 -0.14 -1.26 -0.58 119.74 123.95 1g4f s LYS 22 Ca -0.05 -0.23 0.30 0.00 -1.36 0.00 0.00 55.97 54.62 1g4f s LYS 22 Cb -0.01 -4.01 1.38 0.00 -1.68 0.00 0.00 37.83 33.51 1g4f s LYS 22 CO -0.03 -1.34 1.75 0.97 -0.76 0.00 0.00 175.35 175.94 1g4f h ILE 23 N 6.00 0.37 0.00 2.17 2.10 -1.13 1.59 117.51 128.62 1g4f h ILE 23 Ca -0.26 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.63 1g4f h ILE 23 Cb 1.08 0.20 0.00 0.00 -1.09 0.00 0.00 36.82 37.01 1g4f h ILE 23 CO 1.04 0.03 0.00 0.00 -1.08 0.00 0.00 178.15 178.14 1g4f n GLN 24 N -4.41 0.04 0.01 2.19 10.64 -1.26 -2.40 117.38 122.19 1g4f n GLN 24 Ca 0.29 0.28 -0.00 0.00 -1.83 0.00 0.00 57.00 55.73 1g4f n GLN 24 Cb 1.20 -1.50 -0.00 0.00 -0.86 0.00 0.00 30.24 29.08 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 -1.45 0.01 -0.41 2.61 1.02 0.53 -4.10 120.64 118.86 1g4f n GLU 25 Ca 0.03 0.00 0.34 0.00 -0.02 0.00 0.00 57.16 57.51 1g4f n GLU 25 Cb 0.12 -0.18 0.64 0.00 -0.02 0.00 0.00 31.44 32.00 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 -0.02 0.16 -0.85 3.49 1.63 -1.41 0.44 116.57 119.99 1g4f h LYS 26 Ca 0.00 -0.01 -0.58 0.00 -0.85 0.00 0.00 60.65 59.21 1g4f h LYS 26 Cb 0.02 -0.04 -0.40 0.00 -0.60 0.00 0.00 32.23 31.22 1g4f h LYS 26 CO 0.00 0.10 -0.48 1.19 -3.45 0.00 0.00 179.45 176.81 1g4f n PHE 27 N -4.52 2.88 -0.53 1.91 3.72 -1.01 -4.81 117.46 115.10 1g4f n PHE 27 Ca 0.32 -2.42 0.43 0.00 -0.05 0.00 0.00 57.45 55.73 1g4f n PHE 27 Cb 1.28 -0.54 0.73 0.00 -0.94 0.00 0.00 39.48 40.01 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 2.18 0.04 -0.99 -1.08 3.64 -0.25 1.05 116.57 121.17 1g4f h LYS 28 Ca 0.41 -0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 59.13 1g4f h LYS 28 Cb 1.35 -0.01 -0.32 0.00 -0.41 0.00 0.00 32.23 32.85 1g4f h LYS 28 CO 0.93 0.03 0.53 0.09 -2.27 0.00 0.00 179.45 178.76 1g4f n ASN 29 N -4.35 7.13 0.00 4.20 5.03 -1.26 -4.91 115.26 121.10 1g4f n ASN 29 Ca 0.38 -3.78 0.00 0.00 0.87 0.00 0.00 54.58 52.05 1g4f n ASN 29 Cb 1.62 -0.85 0.00 0.00 -1.02 0.00 0.00 39.78 39.53 1g4f n ASN 29 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1g4f n GLY 30 N -0.86 -1.26 3.91 7.41 0.00 0.36 -4.79 105.19 109.96 1g4f n GLY 30 Ca 0.59 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.68 3.44 0.62 1.61 -1.94 -1.23 -4.56 119.30 115.56 1g4f s MET 31 Ca 0.00 -0.38 -0.19 0.00 -1.71 0.00 0.00 55.69 53.42 1g4f s MET 31 Cb 0.00 -3.07 -0.02 0.00 2.01 0.00 0.00 34.83 33.75 1g4f s MET 31 CO 0.00 0.64 1.29 -0.51 -0.01 0.00 0.00 175.02 176.43 1g4f s LEU 32 N -2.23 3.65 0.21 -0.03 1.43 -1.26 0.11 118.68 120.55 1g4f s LEU 32 Ca 0.31 2.60 -0.31 0.00 -1.03 0.00 0.00 54.13 55.71 1g4f s LEU 32 Cb -0.13 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.44 1g4f s LEU 32 CO 0.23 -1.83 1.55 -2.28 0.23 0.00 0.00 176.35 174.25 1g4f s HIS 33 N -1.41 3.00 0.00 0.29 5.65 -1.26 -1.62 115.29 119.94 1g4f s HIS 33 Ca 0.79 0.73 0.00 0.00 0.25 0.00 0.00 55.06 56.84 1g4f s HIS 33 Cb -0.37 -3.93 0.00 0.00 -1.18 0.00 0.00 32.58 27.10 1g4f s HIS 33 CO 0.40 -3.30 0.00 0.41 -0.65 0.00 0.00 174.74 171.60 1g4f n GLY 34 N 3.15 3.11 3.63 1.59 0.00 0.63 -4.91 105.19 112.38 1g4f n GLY 34 Ca 0.11 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.61 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 0.07 2.01 -4.51 1.61 2.03 -0.64 -4.26 116.55 112.86 1g4f n ASP 35 Ca 0.00 1.10 -0.35 0.00 0.52 0.00 0.00 54.79 56.06 1g4f n ASP 35 Cb 0.00 -1.21 -0.12 0.00 -0.72 0.00 0.00 41.12 39.08 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 1.34 3.74 0.01 -0.67 1.02 -1.26 -1.13 119.74 122.80 1g4f s LYS 36 Ca 0.87 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.41 1g4f s LYS 36 Cb -0.95 -3.15 -0.01 0.00 -0.52 0.00 0.00 37.83 33.21 1g4f s LYS 36 CO 0.50 0.08 -0.02 0.54 -0.92 0.00 0.00 175.35 175.53 1g4f s VAL 37 N 0.85 0.12 -0.07 3.17 0.11 -0.63 -4.72 120.40 119.22 1g4f s VAL 37 Ca 0.02 -0.46 -0.03 0.00 -2.93 0.00 0.00 61.98 58.58 1g4f s VAL 37 Cb -0.14 -0.18 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 1g4f s VAL 37 CO 0.02 -0.21 0.07 -0.44 -3.33 0.00 0.00 175.10 171.21 1g4f s SER 38 N -0.70 5.73 0.09 3.54 0.01 -1.25 0.22 113.70 121.34 1g4f s SER 38 Ca -0.07 0.25 0.01 0.00 1.31 0.00 0.00 55.95 57.45 1g4f s SER 38 Cb -0.05 -1.71 -0.04 0.00 0.21 0.00 0.00 66.02 64.43 1g4f s SER 38 CO -0.00 0.36 0.21 -0.36 0.41 0.00 0.00 173.24 173.85 1g4f s PHE 39 N -1.02 3.45 0.09 2.43 0.40 -1.03 -0.24 117.98 122.06 1g4f s PHE 39 Ca 0.17 0.18 -0.30 0.00 -0.60 0.00 0.00 56.93 56.38 1g4f s PHE 39 Cb -0.12 -1.71 -0.05 0.00 0.51 0.00 0.00 43.02 41.65 1g4f s PHE 39 CO 0.06 0.56 0.97 -0.06 0.70 0.00 0.00 175.22 177.45 1g4f s PHE 40 N -1.56 3.79 0.17 0.36 0.08 -1.22 0.07 117.98 119.66 1g4f s PHE 40 Ca 0.34 1.78 0.02 0.00 0.12 0.00 0.00 56.93 59.19 1g4f s PHE 40 Cb -0.12 -3.07 -0.05 0.00 -0.57 0.00 0.00 43.02 39.21 1g4f s PHE 40 CO 0.27 0.17 0.00 0.00 -0.10 0.00 0.00 175.22 175.56 1g4f s LYS 42 N -3.92 1.89 -0.12 0.00 -2.85 -1.26 -0.45 119.74 113.03 1g4f s LYS 42 Ca 0.24 -1.10 -0.03 0.00 -1.00 0.00 0.00 55.97 54.07 1g4f s LYS 42 Cb 0.06 -2.13 -0.03 0.00 -2.06 0.00 0.00 37.83 33.67 1g4f s LYS 42 CO 0.04 0.50 -0.01 1.21 0.10 0.00 0.00 175.35 177.19 1g4f s ASN 43 N -1.81 5.06 0.01 0.03 3.84 0.74 -4.93 114.94 117.88 1g4f s ASN 43 Ca 0.16 0.01 0.00 0.00 0.21 0.00 0.00 52.86 53.25 1g4f s ASN 43 Cb -0.10 -1.63 -0.26 0.00 -0.55 0.00 0.00 41.25 38.70 1g4f s ASN 43 CO 0.08 0.27 0.86 0.11 -2.79 0.00 0.00 177.10 175.62 1g4f h LYS 44 N 5.97 0.18 -0.06 0.43 1.57 -1.95 -0.42 116.57 122.29 1g4f h LYS 44 Ca -0.41 -0.31 -0.13 0.00 -1.87 0.00 0.00 60.65 57.94 1g4f h LYS 44 Cb 1.19 0.11 0.01 0.00 0.08 0.00 0.00 32.23 33.62 1g4f h LYS 44 CO 0.60 1.01 -0.46 1.49 -0.57 0.00 0.00 179.45 181.52 1g4f h GLU 45 N 0.05 0.42 0.00 3.15 4.81 -1.96 -3.27 114.58 117.77 1g4f h GLU 45 Ca -0.23 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.63 1g4f h GLU 45 Cb 1.98 0.09 0.00 0.00 0.63 0.00 0.00 28.75 31.45 1g4f h GLU 45 CO 0.14 1.02 -0.77 0.87 -0.73 0.00 0.00 179.01 179.54 1g4f h LYS 46 N -0.06 0.00 -1.79 1.92 1.57 -2.00 -3.47 116.57 112.74 1g4f h LYS 46 Ca -0.04 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.46 1g4f h LYS 46 Cb 1.13 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.41 1g4f h LYS 46 CO 0.09 0.00 -0.34 1.63 -0.57 0.00 0.00 179.45 180.26 1g4f n LYS 47 N -2.37 -1.10 -4.17 3.15 5.02 -0.18 -5.00 118.16 113.52 1g4f n LYS 47 Ca 0.02 0.73 -0.22 0.00 -2.02 0.00 0.00 58.31 56.82 1g4f n LYS 47 Cb 0.49 -4.99 -0.07 0.00 -0.02 0.00 0.00 35.03 30.44 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 -3.27 4.10 0.00 0.00 1.04 -0.84 0.26 113.70 115.00 1g4f s SER 49 Ca 0.21 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.47 1g4f s SER 49 Cb 0.01 -0.45 0.00 0.00 0.10 0.00 0.00 66.02 65.68 1g4f s SER 49 CO 0.15 -0.40 0.00 0.00 0.98 0.00 0.00 173.24 173.97 1g4f n TYR 50 N -1.03 -0.69 -4.68 5.02 4.11 0.40 -2.46 117.16 117.84 1g4f n TYR 50 Ca -0.04 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.56 1g4f n TYR 50 Cb 0.65 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.86 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 -2.76 2.71 -0.81 -3.48 -4.23 -1.26 -0.81 115.64 105.00 1g4f s THR 51 Ca 0.00 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 1g4f s THR 51 Cb 0.00 -2.13 0.20 0.00 1.34 0.00 0.00 72.50 71.91 1g4f s THR 51 CO 0.00 0.33 0.65 -1.61 -0.54 0.00 0.00 174.62 173.46 1g4f s GLU 52 N -1.43 2.95 0.36 3.99 0.41 0.11 -4.80 118.70 120.29 1g4f s GLU 52 Ca 0.14 -3.22 -0.23 0.00 -0.41 0.00 0.00 54.97 51.25 1g4f s GLU 52 Cb -0.10 -3.77 -0.16 0.00 -1.78 0.00 0.00 34.13 28.32 1g4f s GLU 52 CO 0.05 -1.26 0.17 -0.25 -0.49 0.00 0.00 175.26 173.48 1g4f n ASP 53 N 2.34 -2.55 -3.83 -0.19 9.92 -1.26 -2.46 116.55 118.52 1g4f n ASP 53 Ca 0.19 0.87 -0.15 0.00 -0.53 0.00 0.00 54.79 55.18 1g4f n ASP 53 Cb 0.36 -0.90 -0.09 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 -1.54 1.47 0.02 2.24 0.00 0.59 -4.83 121.76 119.70 1g4f s ALA 54 Ca 0.60 -1.86 -0.00 0.00 0.00 0.00 0.00 51.96 50.70 1g4f s ALA 54 Cb -0.70 1.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 1g4f s ALA 54 CO 0.61 -0.62 -0.03 -1.14 0.00 0.00 0.00 175.76 174.58 1g4f s GLN 55 N -3.84 0.33 -0.17 0.00 0.74 -1.26 -1.61 119.66 113.84 1g4f s GLN 55 Ca 0.40 -0.64 -0.08 0.00 0.05 0.00 0.00 55.36 55.08 1g4f s GLN 55 Cb 0.05 0.12 -0.04 0.00 1.10 0.00 0.00 33.01 34.23 1g4f s GLN 55 CO 0.19 -0.05 0.10 0.00 -0.55 0.00 0.00 175.29 174.97 1g4f s ILE 57 N 0.00 2.40 -0.73 0.00 1.09 0.13 0.23 121.20 124.31 1g4f s ILE 57 Ca 0.08 -2.34 -0.14 0.00 -1.10 0.00 0.00 60.65 57.15 1g4f s ILE 57 Cb -0.12 -2.25 -0.21 0.00 -1.06 0.00 0.00 42.46 38.83 1g4f s ILE 57 CO 0.00 -0.37 1.76 -0.67 -0.10 0.00 0.00 174.94 175.56 1g4f n ASP 58 N -0.47 -0.47 0.00 3.58 2.03 -1.24 0.89 116.55 120.86 1g4f n ASP 58 Ca -0.06 -0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.10 1g4f n ASP 58 Cb 0.59 -0.52 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 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 4.37 0.03 3.01 0.27 0.00 -0.04 -4.78 105.19 108.05 1g4f n GLY 59 Ca 0.49 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.08 0.51 -0.05 2.61 2.01 0.26 -4.70 115.64 115.19 1g4f s THR 60 Ca 0.00 -0.62 -0.05 0.00 0.31 0.00 0.00 61.69 61.33 1g4f s THR 60 Cb 0.00 -0.49 0.01 0.00 0.01 0.00 0.00 72.50 72.03 1g4f s THR 60 CO 0.00 -0.09 0.15 -0.51 -0.69 0.00 0.00 174.62 173.47 1g4f s ILE 61 N -0.68 0.01 -0.58 1.82 2.07 -1.26 0.17 121.20 122.75 1g4f s ILE 61 Ca -0.03 -0.07 -0.13 0.00 -1.41 0.00 0.00 60.65 59.01 1g4f s ILE 61 Cb -0.06 -0.23 0.15 0.00 0.13 0.00 0.00 42.46 42.44 1g4f s ILE 61 CO 0.00 -0.04 0.50 -1.61 -1.91 0.00 0.00 174.94 171.88 1g4f s GLU 62 N -0.07 2.93 0.24 3.50 0.41 -1.26 -5.03 118.70 119.42 1g4f s GLU 62 Ca -0.01 -1.92 -0.30 0.00 -0.41 0.00 0.00 54.97 52.33 1g4f s GLU 62 Cb -0.02 -4.18 -0.09 0.00 -1.78 0.00 0.00 34.13 28.06 1g4f s GLU 62 CO 0.00 -1.27 1.29 0.08 -0.49 0.00 0.00 175.26 174.87 1g4f s VAL 63 N 1.16 3.12 0.11 2.63 1.01 -1.26 -4.73 120.40 122.44 1g4f s VAL 63 Ca 0.07 0.98 -0.32 0.00 0.00 0.00 0.00 61.98 62.72 1g4f s VAL 63 Cb -0.24 -3.63 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 1g4f s VAL 63 CO -0.01 0.18 1.82 -2.65 0.00 0.00 0.00 175.10 174.44 1g4f n PRO 64 N 2.06 2.71 -0.24 2.72 -0.01 -1.26 -4.85 135.00 136.13 1g4f n PRO 64 Ca 0.04 0.99 0.20 0.00 -0.01 0.00 0.00 63.50 64.71 1g4f n PRO 64 Cb 0.43 -2.87 0.52 0.00 -0.01 0.00 0.00 33.50 31.57 1g4f n PRO 64 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 175.50 175.27 1g4f h LYS 65 N 8.41 0.37 -1.36 -0.52 1.63 -2.00 -0.26 116.57 122.84 1g4f h LYS 65 Ca -0.46 -0.02 0.40 0.00 -0.85 0.00 0.00 60.65 59.72 1g4f h LYS 65 Cb 1.23 -0.08 -0.09 0.00 -0.60 0.00 0.00 32.23 32.69 1g4f h LYS 65 CO 0.94 0.25 0.93 0.00 -3.45 0.00 0.00 179.45 178.12 1g4f n PHE 67 N -4.38 -1.38 -3.61 0.00 7.35 -0.11 -4.90 117.46 110.43 1g4f n PHE 67 Ca 0.33 0.11 -0.03 0.00 -0.76 0.00 0.00 57.45 57.09 1g4f n PHE 67 Cb 1.39 -1.61 -0.06 0.00 0.35 0.00 0.00 39.48 39.55 1g4f n PHE 67 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1g4f s LYS 68 N -3.62 0.53 0.00 -4.13 2.36 -1.26 -5.10 119.74 108.52 1g4f s LYS 68 Ca 0.58 1.03 0.00 0.00 -2.55 0.00 0.00 55.97 55.04 1g4f s LYS 68 Cb -0.15 0.30 0.00 0.00 -1.05 0.00 0.00 37.83 36.93 1g4f s LYS 68 CO 0.66 -0.13 0.00 -0.85 1.55 0.00 0.00 175.35 176.58 1g4f n GLU 69 N 4.43 2.24 -3.34 4.03 0.28 -1.26 -4.98 120.64 122.04 1g4f n GLU 69 Ca -0.17 0.00 -0.46 0.00 -0.16 0.00 0.00 57.16 56.37 1g4f n GLU 69 Cb 0.56 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.39 1g4f n GLU 69 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1g4f s HIS 70 N 0.29 3.47 0.00 -1.84 3.76 -1.26 -5.04 115.29 114.67 1g4f s HIS 70 Ca 0.00 -1.63 0.00 0.00 -0.15 0.00 0.00 55.06 53.28 1g4f s HIS 70 Cb 0.00 -3.78 0.00 0.00 1.11 0.00 0.00 32.58 29.91 1g4f s HIS 70 CO 0.00 -1.00 0.00 -1.13 -0.85 0.00 0.00 174.74 171.76 1g4f n SER 71 N 4.68 0.00 -4.79 1.40 3.41 -1.26 -5.00 113.62 112.05 1g4f n SER 71 Ca -0.02 -0.43 -0.34 0.00 -0.26 0.00 0.00 58.87 57.82 1g4f n SER 71 Cb 0.43 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 1g4f n SER 71 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1g4f s SER 72 N -1.00 6.21 -1.15 4.04 0.01 -1.26 -3.11 113.70 117.44 1g4f s SER 72 Ca 0.00 1.96 0.00 0.00 1.31 0.00 0.00 55.95 59.22 1g4f s SER 72 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1g4f s SER 72 CO 0.00 -0.87 0.00 0.18 0.41 0.00 0.00 173.24 172.96 1g4f n LEU 73 N -1.08 -1.19 -0.86 2.44 7.99 -1.26 -4.78 117.00 118.26 1g4f n LEU 73 Ca 0.10 0.19 0.03 0.00 -0.01 0.00 0.00 56.01 56.32 1g4f n LEU 73 Cb 0.52 -2.19 0.14 0.00 -0.11 0.00 0.00 43.42 41.78 1g4f n LEU 73 CO 0.40 -0.19 0.52 0.00 -1.51 0.00 0.00 177.39 176.61 1g4f n ALA 74 N -1.92 2.84 -1.00 -1.18 0.00 -1.18 -4.54 120.51 113.53 1g4f n ALA 74 Ca -0.15 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1g4f n ALA 74 Cb 0.60 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 0.25 0.00 -3.73 0.00 3.72 -1.26 -4.88 117.46 111.56 1g4f n PHE 75 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1g4f n PHE 75 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 1g4f n PHE 75 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1g4f n TRP 76 N -0.52 -0.53 -1.10 1.38 7.02 -1.26 -4.89 117.44 117.53 1g4f n TRP 76 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1g4f n TRP 76 Cb 0.00 0.13 0.00 0.00 -2.42 0.00 0.00 31.31 29.02 1g4f n TRP 76 CO 0.00 0.00 0.00 0.36 -2.02 0.00 0.00 177.69 176.03 1g4f n LYS 77 N 0.00 3.62 -1.60 -0.99 2.85 -1.26 -5.03 118.16 115.74 1g4f n LYS 77 Ca 0.00 0.00 -0.53 0.00 -1.05 0.00 0.00 58.31 56.73 1g4f n LYS 77 Cb 0.00 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.32 1g4f n LYS 77 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1g4f n THR 78 N 0.00 0.04 -1.96 0.58 -2.24 -1.26 -4.93 114.28 104.51 1g4f n THR 78 Ca 0.00 -0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.48 1g4f n THR 78 Cb 0.00 -0.85 0.06 0.00 -2.10 0.00 0.00 70.33 67.43 1g4f n THR 78 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1g4f s ASP 79 N 0.84 5.20 0.32 3.42 1.01 -1.26 -4.70 116.67 121.50 1g4f s ASP 79 Ca 0.86 0.97 0.08 0.00 0.71 0.00 0.00 52.55 55.17 1g4f s ASP 79 Cb -0.97 -1.70 0.91 0.00 1.01 0.00 0.00 42.92 42.16 1g4f s ASP 79 CO 0.49 -1.46 1.65 0.00 0.21 0.00 0.00 175.17 176.05 1g4f h ALA 80 N -0.70 1.61 0.00 5.23 0.00 -1.85 2.10 119.26 125.65 1g4f h ALA 80 Ca -0.45 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1g4f h ALA 80 Cb 1.28 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1g4f h ALA 80 CO 0.64 -0.54 0.00 0.45 0.00 0.00 0.00 179.25 179.80 1g4f n SER 81 N -5.17 0.00 -1.02 0.00 2.88 -1.26 -2.39 113.62 106.67 1g4f n SER 81 Ca 0.27 0.35 0.05 0.00 -1.33 0.00 0.00 58.87 58.21 1g4f n SER 81 Cb 0.85 -0.41 0.10 0.00 -0.75 0.00 0.00 64.21 64.00 1g4f n SER 81 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1g4f n ASP 82 N -1.41 1.29 -4.49 -3.46 9.92 0.70 -5.04 116.55 114.07 1g4f n ASP 82 Ca 0.03 -2.82 -0.30 0.00 -0.53 0.00 0.00 54.79 51.17 1g4f n ASP 82 Cb 0.10 -0.39 -0.12 0.00 -0.64 0.00 0.00 41.12 40.07 1g4f n ASP 82 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1g4f s VAL 83 N -1.44 2.88 0.35 2.53 1.01 -0.66 -4.53 120.40 120.52 1g4f s VAL 83 Ca 0.34 -1.36 -0.25 0.00 0.00 0.00 0.00 61.98 60.70 1g4f s VAL 83 Cb 0.36 -2.28 -0.10 0.00 0.00 0.00 0.00 36.38 34.36 1g4f s VAL 83 CO -0.11 0.19 0.97 -0.54 0.00 0.00 0.00 175.10 175.60 1g4f s LYS 84 N -1.89 4.47 0.28 2.72 1.02 -1.26 -4.66 119.74 120.42 1g4f s LYS 84 Ca 0.17 1.34 -0.30 0.00 0.02 0.00 0.00 55.97 57.20 1g4f s LYS 84 Cb -0.11 -2.68 -0.11 0.00 -0.52 0.00 0.00 37.83 34.41 1g4f s LYS 84 CO 0.09 0.17 1.55 -1.25 -0.92 0.00 0.00 175.35 174.98 1g4f s PRO 85 N -2.26 4.17 0.00 -1.68 0.05 -1.26 -1.98 135.00 132.03 1g4f s PRO 85 Ca 0.53 2.49 0.00 0.00 0.05 0.00 0.00 61.00 64.07 1g4f s PRO 85 Cb -0.18 -3.05 0.00 0.00 0.05 0.00 0.00 34.50 31.32 1g4f s PRO 85 CO 0.23 -0.57 0.13 0.00 0.05 0.00 0.00 177.00 176.85