#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 -1.84 -0.43 -0.78 5.02 -1.26 -4.80 118.16 114.07 1g4f n LYS 2 Ca 0.00 1.32 0.04 0.00 -2.02 0.00 0.00 58.31 57.64 1g4f n LYS 2 Cb 0.00 -2.73 0.20 0.00 -0.02 0.00 0.00 35.03 32.48 1g4f n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1g4f n ALA 3 N -0.99 3.14 -0.59 7.82 0.00 -1.26 -4.91 120.51 123.72 1g4f n ALA 3 Ca -0.13 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.38 1g4f n ALA 3 Cb 0.65 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 0.34 0.00 -2.93 0.00 3.41 -1.26 -2.77 113.62 110.40 1g4f n SER 4 Ca 0.14 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.58 1g4f n SER 4 Cb 0.69 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.58 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 -3.15 1.18 -0.93 0.00 2.20 -1.26 -3.59 119.74 114.19 1g4f s LYS 6 Ca 0.32 -1.71 -0.33 0.00 -0.36 0.00 0.00 55.97 53.89 1g4f s LYS 6 Cb 0.02 -2.46 -0.21 0.00 -1.51 0.00 0.00 37.83 33.66 1g4f s LYS 6 CO 0.22 -1.06 2.63 1.47 -0.36 0.00 0.00 175.35 178.26 1g4f n LEU 7 N 4.09 0.37 0.29 5.43 -0.00 -1.26 -4.69 117.00 121.22 1g4f n LEU 7 Ca 0.04 0.24 0.19 0.00 -0.00 0.00 0.00 56.01 56.48 1g4f n LEU 7 Cb 0.38 -0.92 0.99 0.00 -0.00 0.00 0.00 43.42 43.87 1g4f n LEU 7 CO 0.20 -0.73 1.07 -0.65 -0.00 0.00 0.00 177.39 177.28 1g4f h PRO 8 N 11.69 0.00 -5.06 1.47 0.11 -1.97 -3.42 132.00 134.82 1g4f h PRO 8 Ca -0.06 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.70 1g4f h PRO 8 Cb 1.32 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.24 1g4f h PRO 8 CO 1.35 0.00 -0.75 0.08 -0.21 0.00 0.00 178.00 178.47 1g4f s VAL 9 N -3.92 0.98 -0.57 3.15 1.01 -1.26 -5.03 120.40 114.75 1g4f s VAL 9 Ca -0.03 -1.50 0.16 0.00 0.00 0.00 0.00 61.98 60.61 1g4f s VAL 9 Cb 0.11 -1.22 0.68 0.00 0.00 0.00 0.00 36.38 35.95 1g4f s VAL 9 CO 0.38 -0.44 1.59 2.29 0.00 0.00 0.00 175.10 178.93 1g4f n LYS 10 N 0.84 3.87 -2.15 2.72 2.85 -1.26 -4.46 118.16 120.57 1g4f n LYS 10 Ca -0.18 -2.91 -0.04 0.00 -1.05 0.00 0.00 58.31 54.13 1g4f n LYS 10 Cb 0.56 -1.96 0.07 0.00 -0.65 0.00 0.00 35.03 33.05 1g4f n LYS 10 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1g4f n LYS 11 N 0.49 0.94 -3.31 -1.58 2.85 -1.26 -4.65 118.16 111.64 1g4f n LYS 11 Ca 0.24 -1.14 -0.38 0.00 -1.05 0.00 0.00 58.31 55.98 1g4f n LYS 11 Cb 0.96 0.45 -0.06 0.00 -0.65 0.00 0.00 35.03 35.73 1g4f n LYS 11 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1g4f s ALA 12 N 0.09 3.57 -0.59 0.58 0.00 -1.26 -4.97 121.76 119.17 1g4f s ALA 12 Ca 0.06 -0.06 -0.12 0.00 0.00 0.00 0.00 51.96 51.85 1g4f s ALA 12 Cb 0.31 -2.61 0.15 0.00 0.00 0.00 0.00 23.12 20.97 1g4f s ALA 12 CO -0.09 0.29 0.50 0.99 0.00 0.00 0.00 175.76 177.45 1g4f s THR 13 N -0.59 4.78 0.44 0.00 2.01 -1.26 -1.02 115.64 120.00 1g4f s THR 13 Ca 0.28 -1.98 0.07 0.00 0.31 0.00 0.00 61.69 60.37 1g4f s THR 13 Cb -0.18 -4.07 0.07 0.00 0.01 0.00 0.00 72.50 68.34 1g4f s THR 13 CO 0.16 -0.87 0.61 1.33 -0.69 0.00 0.00 174.62 175.15 1g4f n VAL 14 N 4.64 0.00 -3.88 3.82 0.24 -0.69 -4.10 118.33 118.37 1g4f n VAL 14 Ca -0.03 -1.46 -0.30 0.00 -2.04 0.00 0.00 64.34 60.51 1g4f n VAL 14 Cb 0.42 -0.64 -0.16 0.00 -1.47 0.00 0.00 33.84 32.00 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 -1.71 1.35 -0.16 3.34 1.01 0.16 -1.82 120.40 122.56 1g4f s VAL 15 Ca 0.46 -1.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 1g4f s VAL 15 Cb -0.04 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 1g4f s VAL 15 CO 0.29 -0.28 -0.07 -0.47 0.00 0.00 0.00 175.10 174.57 1g4f s TYR 16 N 1.45 2.93 -1.52 5.22 5.04 -0.52 -2.35 117.35 127.60 1g4f s TYR 16 Ca -0.00 -0.56 -0.00 0.00 -2.44 0.00 0.00 57.07 54.06 1g4f s TYR 16 Cb -0.18 -1.95 0.00 0.00 0.35 0.00 0.00 41.96 40.18 1g4f s TYR 16 CO -0.10 -0.21 0.03 1.04 -1.34 0.00 0.00 175.55 174.97 1g4f n GLN 17 N 3.81 -1.59 -1.93 4.97 6.02 -1.26 -1.47 117.38 125.93 1g4f n GLN 17 Ca -0.18 0.86 -0.10 0.00 -0.01 0.00 0.00 57.00 57.58 1g4f n GLN 17 Cb 0.52 -5.37 -0.01 0.00 1.02 0.00 0.00 30.24 26.40 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 -1.04 0.29 2.97 1.08 0.00 -1.26 -5.01 105.19 102.23 1g4f n GLY 18 Ca -0.21 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.04 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 -4.01 1.67 0.10 1.61 2.02 -0.54 -5.12 118.70 114.43 1g4f s GLU 19 Ca 0.00 -0.36 -0.30 0.00 0.02 0.00 0.00 54.97 54.33 1g4f s GLU 19 Cb 0.00 -1.53 -0.06 0.00 0.10 0.00 0.00 34.13 32.64 1g4f s GLU 19 CO 0.00 -0.11 1.05 1.03 0.02 0.00 0.00 175.26 177.25 1g4f s ARG 20 N 1.15 4.59 0.08 1.61 0.52 -1.26 -1.44 118.95 124.20 1g4f s ARG 20 Ca -0.05 1.59 -0.25 0.00 -0.52 0.00 0.00 55.73 56.50 1g4f s ARG 20 Cb -0.14 -3.36 0.06 0.00 0.52 0.00 0.00 34.95 32.04 1g4f s ARG 20 CO -0.02 0.03 0.59 0.14 0.02 0.00 0.00 175.30 176.06 1g4f s VAL 21 N 0.31 0.01 -0.62 3.52 -7.23 -0.76 -4.98 120.40 110.65 1g4f s VAL 21 Ca 0.51 -0.08 -0.25 0.00 -1.81 0.00 0.00 61.98 60.34 1g4f s VAL 21 Cb -0.26 -1.00 0.05 0.00 0.56 0.00 0.00 36.38 35.72 1g4f s VAL 21 CO 0.31 -0.05 1.05 -0.54 -0.31 0.00 0.00 175.10 175.57 1g4f s LYS 22 N -2.78 3.27 0.54 4.82 -0.14 -1.26 -1.70 119.74 122.49 1g4f s LYS 22 Ca -0.03 -0.34 0.44 0.00 -1.36 0.00 0.00 55.97 54.68 1g4f s LYS 22 Cb -0.01 -4.12 1.65 0.00 -1.68 0.00 0.00 37.83 33.67 1g4f s LYS 22 CO -0.04 -1.74 1.65 0.97 -0.76 0.00 0.00 175.35 175.43 1g4f h ILE 23 N 6.03 0.15 0.00 2.17 2.10 -1.43 2.08 117.51 128.61 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 1.07 0.13 0.00 0.00 -1.09 0.00 0.00 36.82 36.93 1g4f h ILE 23 CO 1.17 0.00 0.00 0.06 -1.08 0.00 0.00 178.15 178.30 1g4f h GLN 24 N 0.01 0.00 0.00 2.19 3.07 -1.80 -0.26 115.11 118.32 1g4f h GLN 24 Ca 0.81 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 59.31 1g4f h GLN 24 Cb 3.18 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 30.70 1g4f h GLN 24 CO -0.05 0.00 -1.73 0.39 0.09 0.00 0.00 178.83 177.53 1g4f n GLU 25 N -2.82 0.46 0.29 0.06 -0.58 0.70 -3.70 120.64 115.05 1g4f n GLU 25 Ca 0.00 0.19 0.18 0.00 -0.42 0.00 0.00 57.16 57.11 1g4f n GLU 25 Cb 0.22 -1.28 0.83 0.00 -0.57 0.00 0.00 31.44 30.64 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 -0.81 0.00 -1.34 3.49 3.64 -1.47 -3.14 116.57 116.94 1g4f h LYS 26 Ca -0.37 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.53 1g4f h LYS 26 Cb 1.25 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.66 1g4f h LYS 26 CO -0.22 0.03 -0.95 1.19 -2.27 0.00 0.00 179.45 177.23 1g4f n PHE 27 N -3.17 2.35 -0.34 1.91 3.72 -0.11 -4.89 117.46 116.93 1g4f n PHE 27 Ca -0.01 -3.04 0.21 0.00 -0.05 0.00 0.00 57.45 54.56 1g4f n PHE 27 Cb 0.24 -0.24 0.43 0.00 -0.94 0.00 0.00 39.48 38.97 1g4f n PHE 27 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1g4f h LYS 28 N 2.79 0.44 -1.70 -1.08 1.79 -1.62 0.18 116.57 117.37 1g4f h LYS 28 Ca 0.11 -0.03 -0.74 0.00 -2.18 0.00 0.00 60.65 57.82 1g4f h LYS 28 Cb 1.02 -0.10 -0.28 0.00 -1.58 0.00 0.00 32.23 31.29 1g4f h LYS 28 CO 0.69 0.29 0.94 0.09 -1.08 0.00 0.00 179.45 180.37 1g4f n ASN 29 N -4.97 7.46 -0.27 0.86 3.02 -1.26 -4.99 115.26 115.11 1g4f n ASN 29 Ca 0.29 -3.82 0.04 0.00 -0.03 0.00 0.00 54.58 51.06 1g4f n ASN 29 Cb 0.86 -1.02 -0.01 0.00 -0.61 0.00 0.00 39.78 39.00 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 -0.64 -1.46 3.98 7.41 0.00 0.63 -4.83 105.19 110.29 1g4f n GLY 30 Ca 0.56 -1.46 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.33 2.33 0.59 1.61 -1.94 -1.24 -4.57 119.30 114.75 1g4f s MET 31 Ca 0.00 -1.74 -0.05 0.00 -1.71 0.00 0.00 55.69 52.19 1g4f s MET 31 Cb 0.00 -2.46 0.02 0.00 2.01 0.00 0.00 34.83 34.40 1g4f s MET 31 CO 0.00 -0.71 0.89 -0.51 -0.01 0.00 0.00 175.02 174.68 1g4f s LEU 32 N -4.50 3.20 0.25 -0.03 1.43 -1.26 0.52 118.68 118.29 1g4f s LEU 32 Ca 0.52 0.60 -0.30 0.00 -1.03 0.00 0.00 54.13 53.92 1g4f s LEU 32 Cb -0.05 -3.41 -0.09 0.00 0.03 0.00 0.00 46.19 42.67 1g4f s LEU 32 CO 0.32 -1.12 1.07 -2.28 0.23 0.00 0.00 176.35 174.58 1g4f s HIS 33 N -2.98 3.65 0.00 0.29 5.65 -1.26 -3.00 115.29 117.63 1g4f s HIS 33 Ca 0.55 1.71 0.00 0.00 0.25 0.00 0.00 55.06 57.57 1g4f s HIS 33 Cb -0.11 -3.23 0.00 0.00 -1.18 0.00 0.00 32.58 28.06 1g4f s HIS 33 CO 0.44 -0.40 0.00 0.41 -0.65 0.00 0.00 174.74 174.54 1g4f n GLY 34 N 1.44 2.98 3.41 1.59 0.00 0.11 -4.93 105.19 109.80 1g4f n GLY 34 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.82 -4.02 1.61 -0.08 -1.16 -4.26 116.55 106.83 1g4f n ASP 35 Ca 0.00 0.51 -0.27 0.00 -1.51 0.00 0.00 54.79 53.51 1g4f n ASP 35 Cb 0.00 -1.17 -0.17 0.00 2.34 0.00 0.00 41.12 42.12 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 -2.84 1.94 0.01 -0.67 1.02 -1.26 -0.18 119.74 117.76 1g4f s LYS 36 Ca 0.61 -0.46 -0.01 0.00 0.02 0.00 0.00 55.97 56.14 1g4f s LYS 36 Cb -0.31 -1.71 -0.01 0.00 -0.52 0.00 0.00 37.83 35.28 1g4f s LYS 36 CO 0.62 -0.09 -0.00 0.14 -0.92 0.00 0.00 175.35 175.10 1g4f s VAL 37 N 1.07 0.07 -0.09 3.17 -7.23 -0.77 -4.58 120.40 112.03 1g4f s VAL 37 Ca -0.06 -0.55 -0.02 0.00 -1.81 0.00 0.00 61.98 59.54 1g4f s VAL 37 Cb -0.15 -0.18 -0.03 0.00 0.56 0.00 0.00 36.38 36.58 1g4f s VAL 37 CO -0.02 -0.30 -0.00 -0.44 -0.31 0.00 0.00 175.10 174.02 1g4f s SER 38 N -0.90 5.19 -0.02 4.85 0.01 -0.99 0.26 113.70 122.10 1g4f s SER 38 Ca -0.10 0.12 -0.03 0.00 1.31 0.00 0.00 55.95 57.25 1g4f s SER 38 Cb -0.06 -1.49 -0.04 0.00 0.21 0.00 0.00 66.02 64.63 1g4f s SER 38 CO -0.00 0.36 0.18 -0.36 0.41 0.00 0.00 173.24 173.82 1g4f s PHE 39 N -0.75 3.55 0.16 2.43 0.40 -1.02 -0.67 117.98 122.09 1g4f s PHE 39 Ca 0.12 0.37 -0.30 0.00 -0.60 0.00 0.00 56.93 56.52 1g4f s PHE 39 Cb -0.12 -1.84 -0.07 0.00 0.51 0.00 0.00 43.02 41.50 1g4f s PHE 39 CO 0.02 0.65 0.96 -0.06 0.70 0.00 0.00 175.22 177.50 1g4f s PHE 40 N -1.30 3.87 0.19 0.36 0.08 -1.26 -0.14 117.98 119.78 1g4f s PHE 40 Ca 0.26 1.84 -0.01 0.00 0.12 0.00 0.00 56.93 59.14 1g4f s PHE 40 Cb -0.13 -3.04 -0.04 0.00 -0.57 0.00 0.00 43.02 39.24 1g4f s PHE 40 CO 0.18 0.26 0.12 0.00 -0.10 0.00 0.00 175.22 175.68 1g4f s LYS 42 N -4.14 2.46 -0.08 0.00 -2.85 -1.26 -1.02 119.74 112.85 1g4f s LYS 42 Ca 0.37 -0.80 0.00 0.00 -1.00 0.00 0.00 55.97 54.54 1g4f s LYS 42 Cb 0.07 -2.46 -0.03 0.00 -2.06 0.00 0.00 37.83 33.35 1g4f s LYS 42 CO 0.11 0.57 -0.08 1.21 0.10 0.00 0.00 175.35 177.27 1g4f s ASN 43 N -1.69 4.57 -0.09 0.03 3.04 0.74 -4.93 114.94 116.60 1g4f s ASN 43 Ca 0.19 -0.07 -0.06 0.00 0.04 0.00 0.00 52.86 52.96 1g4f s ASN 43 Cb -0.11 -1.26 -0.02 0.00 -1.54 0.00 0.00 41.25 38.32 1g4f s ASN 43 CO 0.10 0.32 -0.11 0.11 -3.04 0.00 0.00 177.10 174.48 1g4f h LYS 44 N 5.57 0.00 -0.12 0.43 1.79 -1.95 -0.37 116.57 121.92 1g4f h LYS 44 Ca -0.44 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.06 1g4f h LYS 44 Cb 1.18 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1g4f h LYS 44 CO 0.54 0.00 0.43 1.49 -1.08 0.00 0.00 179.45 180.83 1g4f h GLU 45 N -0.68 0.00 0.00 3.15 4.81 -1.98 -0.09 114.58 119.79 1g4f h GLU 45 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1g4f h GLU 45 Cb 0.32 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1g4f h GLU 45 CO 0.00 0.00 -1.73 1.63 -0.73 0.00 0.00 179.01 178.18 1g4f n LYS 46 N -3.06 0.94 -2.34 1.92 5.02 -1.26 -5.00 118.16 114.36 1g4f n LYS 46 Ca 0.01 -0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 56.09 1g4f n LYS 46 Cb 0.51 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 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 -2.16 -1.43 -4.26 1.97 5.02 -0.05 -5.00 118.16 112.25 1g4f n LYS 47 Ca -0.09 0.58 -0.19 0.00 -2.02 0.00 0.00 58.31 56.58 1g4f n LYS 47 Cb 0.56 -4.73 -0.08 0.00 -0.02 0.00 0.00 35.03 30.76 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 -3.36 4.56 0.23 0.00 1.04 -0.84 0.26 113.70 115.59 1g4f s SER 49 Ca 0.40 -1.03 -0.10 0.00 0.48 0.00 0.00 55.95 55.71 1g4f s SER 49 Cb 0.02 -0.44 0.04 0.00 0.10 0.00 0.00 66.02 65.73 1g4f s SER 49 CO 0.28 -0.60 0.50 0.00 0.98 0.00 0.00 173.24 174.41 1g4f n TYR 50 N -1.33 -1.76 -4.51 5.02 4.11 -0.19 -2.37 117.16 116.14 1g4f n TYR 50 Ca -0.00 -1.10 -0.31 0.00 -0.00 0.00 0.00 57.90 56.49 1g4f n TYR 50 Cb 0.64 0.55 -0.12 0.00 -0.00 0.00 0.00 39.34 40.41 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 -2.42 3.05 -0.62 -3.48 -4.23 -1.26 -0.77 115.64 105.91 1g4f s THR 51 Ca 0.10 -1.16 0.02 0.00 -1.18 0.00 0.00 61.69 59.47 1g4f s THR 51 Cb -0.03 -2.33 0.15 0.00 1.34 0.00 0.00 72.50 71.63 1g4f s THR 51 CO 0.07 0.28 0.40 -0.70 -0.54 0.00 0.00 174.62 174.13 1g4f s GLU 52 N -1.65 2.36 0.33 3.99 -6.30 0.80 -4.80 118.70 113.43 1g4f s GLU 52 Ca 0.17 -2.79 -0.24 0.00 -2.50 0.00 0.00 54.97 49.60 1g4f s GLU 52 Cb -0.11 -3.52 -0.16 0.00 0.00 0.00 0.00 34.13 30.35 1g4f s GLU 52 CO 0.08 -1.17 0.30 -0.25 0.02 0.00 0.00 175.26 174.23 1g4f n ASP 53 N 2.93 -2.05 -4.13 -1.70 8.00 -1.26 -2.42 116.55 115.92 1g4f n ASP 53 Ca 0.10 0.94 -0.14 0.00 0.71 0.00 0.00 54.79 56.40 1g4f n ASP 53 Cb 0.35 -0.93 -0.10 0.00 -0.02 0.00 0.00 41.12 40.41 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 -1.41 1.42 0.12 2.24 0.00 0.72 -4.84 121.76 120.01 1g4f s ALA 54 Ca 0.61 -1.77 0.05 0.00 0.00 0.00 0.00 51.96 50.85 1g4f s ALA 54 Cb -0.74 1.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 1g4f s ALA 54 CO 0.60 -0.56 -0.13 -1.14 0.00 0.00 0.00 175.76 174.53 1g4f s GLN 55 N -4.04 0.98 -0.02 0.00 0.74 -1.26 -1.84 119.66 114.22 1g4f s GLN 55 Ca 0.39 -1.22 -0.01 0.00 0.05 0.00 0.00 55.36 54.56 1g4f s GLN 55 Cb 0.07 -0.81 -0.04 0.00 1.10 0.00 0.00 33.01 33.33 1g4f s GLN 55 CO 0.14 0.15 0.07 0.00 -0.55 0.00 0.00 175.29 175.10 1g4f s ILE 57 N -1.15 0.41 -0.95 0.00 -1.09 0.85 0.08 121.20 119.37 1g4f s ILE 57 Ca 0.21 -2.00 -0.25 0.00 -2.23 0.00 0.00 60.65 56.38 1g4f s ILE 57 Cb -0.12 -2.48 -0.23 0.00 -1.58 0.00 0.00 42.46 38.05 1g4f s ILE 57 CO 0.12 0.00 2.44 -0.67 -1.23 0.00 0.00 174.94 175.60 1g4f n ASP 58 N -1.10 -0.07 -1.79 3.58 2.03 -1.26 -0.42 116.55 117.52 1g4f n ASP 58 Ca -0.00 0.03 -0.03 0.00 0.52 0.00 0.00 54.79 55.31 1g4f n ASP 58 Cb 0.65 -0.79 -0.01 0.00 -0.72 0.00 0.00 41.12 40.25 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 5.95 -0.13 2.95 0.27 0.00 0.72 -4.84 105.19 110.11 1g4f n GLY 59 Ca 0.63 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.55 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 -1.68 0.08 -0.11 2.61 2.01 0.44 -4.41 115.64 114.58 1g4f s THR 60 Ca 0.00 -0.65 -0.27 0.00 0.31 0.00 0.00 61.69 61.09 1g4f s THR 60 Cb 0.00 -0.20 0.06 0.00 0.01 0.00 0.00 72.50 72.38 1g4f s THR 60 CO 0.00 -0.36 0.63 -0.51 -0.69 0.00 0.00 174.62 173.70 1g4f s ILE 61 N -1.05 0.01 0.56 1.82 2.07 -1.26 -0.10 121.20 123.25 1g4f s ILE 61 Ca -0.11 -0.05 0.07 0.00 -1.41 0.00 0.00 60.65 59.15 1g4f s ILE 61 Cb -0.07 -0.93 0.07 0.00 0.13 0.00 0.00 42.46 41.66 1g4f s ILE 61 CO -0.01 -0.03 0.62 -0.62 -1.91 0.00 0.00 174.94 172.99 1g4f n GLU 62 N 1.52 0.64 -4.56 3.50 1.02 -1.26 -5.05 120.64 116.45 1g4f n GLU 62 Ca -0.18 -3.23 -0.21 0.00 -0.02 0.00 0.00 57.16 53.52 1g4f n GLU 62 Cb 0.56 0.03 -0.15 0.00 -0.02 0.00 0.00 31.44 31.87 1g4f n GLU 62 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1g4f s VAL 63 N -2.63 0.98 0.64 2.62 1.01 -1.26 -4.86 120.40 116.90 1g4f s VAL 63 Ca 0.47 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.74 1g4f s VAL 63 Cb -0.04 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 1g4f s VAL 63 CO 0.30 0.28 1.27 -2.84 0.00 0.00 0.00 175.10 174.11 1g4f s PRO 64 N -0.23 2.64 0.14 2.72 0.02 -1.26 -4.93 135.00 134.09 1g4f s PRO 64 Ca 0.04 2.00 -0.12 0.00 0.02 0.00 0.00 61.00 62.94 1g4f s PRO 64 Cb -0.05 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.57 1g4f s PRO 64 CO -0.00 -1.51 1.50 0.87 -0.33 0.00 0.00 177.00 177.53 1g4f h LYS 65 N 0.60 0.89 -1.28 5.54 6.56 -2.00 -2.86 116.57 124.03 1g4f h LYS 65 Ca -0.51 -0.41 0.37 0.00 -1.06 0.00 0.00 60.65 59.05 1g4f h LYS 65 Cb 1.33 -0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 32.92 1g4f h LYS 65 CO 0.53 1.06 0.95 0.00 -2.06 0.00 0.00 179.45 179.93 1g4f n PHE 67 N -4.07 -3.64 -2.71 0.00 7.35 -1.08 -4.48 117.46 108.82 1g4f n PHE 67 Ca 0.28 -0.76 -0.07 0.00 -0.76 0.00 0.00 57.45 56.14 1g4f n PHE 67 Cb 1.36 -1.03 0.06 0.00 0.35 0.00 0.00 39.48 40.22 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 -4.91 0.51 -0.08 -4.13 -0.00 -1.26 -4.98 118.16 103.30 1g4f n LYS 68 Ca 0.12 -1.29 0.25 0.00 -0.00 0.00 0.00 58.31 57.39 1g4f n LYS 68 Cb 0.51 -0.93 0.56 0.00 -0.00 0.00 0.00 35.03 35.17 1g4f n LYS 68 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1g4f h GLU 69 N 3.60 0.00 0.00 -1.58 4.81 -1.96 -3.39 114.58 116.06 1g4f h GLU 69 Ca -0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1g4f h GLU 69 Cb 1.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1g4f h GLU 69 CO 0.11 0.00 0.00 1.58 -0.73 0.00 0.00 179.01 179.97 1g4f n HIS 70 N -3.39 -0.08 -4.08 0.92 -0.00 -1.26 -4.56 115.22 102.77 1g4f n HIS 70 Ca 0.17 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 58.03 1g4f n HIS 70 Cb 1.16 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 31.00 1g4f n HIS 70 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1g4f n SER 71 N -0.06 -1.07 -1.06 0.26 7.64 -1.26 -4.83 113.62 113.23 1g4f n SER 71 Ca 0.00 -1.16 0.05 0.00 1.01 0.00 0.00 58.87 58.77 1g4f n SER 71 Cb 0.00 -2.30 0.26 0.00 -1.01 0.00 0.00 64.21 61.15 1g4f n SER 71 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1g4f n SER 72 N -2.77 3.80 -4.73 6.43 2.88 -1.26 -5.02 113.62 112.95 1g4f n SER 72 Ca -0.26 -3.16 -0.30 0.00 -1.33 0.00 0.00 58.87 53.83 1g4f n SER 72 Cb 0.66 -0.58 0.14 0.00 -0.75 0.00 0.00 64.21 63.67 1g4f n SER 72 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1g4f s LEU 73 N -2.91 2.20 -1.54 2.46 2.01 -1.26 -4.88 118.68 114.76 1g4f s LEU 73 Ca 0.44 1.39 -0.11 0.00 0.01 0.00 0.00 54.13 55.86 1g4f s LEU 73 Cb 0.36 -3.80 -0.02 0.00 0.01 0.00 0.00 46.19 42.74 1g4f s LEU 73 CO 0.08 -2.61 2.62 0.00 1.01 0.00 0.00 176.35 177.46 1g4f n ALA 74 N -3.85 6.71 -2.15 4.21 0.00 -1.26 -4.90 120.51 119.26 1g4f n ALA 74 Ca 0.07 -3.72 0.00 0.00 0.00 0.00 0.00 53.44 49.78 1g4f n ALA 74 Cb 0.56 -3.39 0.00 0.00 0.00 0.00 0.00 19.45 16.62 1g4f n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1g4f n PHE 75 N 4.40 -1.72 -1.07 0.00 7.35 -1.26 -4.98 117.46 120.18 1g4f n PHE 75 Ca 0.67 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 57.10 1g4f n PHE 75 Cb 0.29 0.00 0.11 0.00 0.35 0.00 0.00 39.48 40.23 1g4f n PHE 75 CO 0.00 0.00 0.00 1.87 -0.76 0.00 0.00 176.76 177.87 1g4f n TRP 76 N -0.66 2.71 -4.32 -5.13 -0.00 -1.26 -4.90 117.44 103.87 1g4f n TRP 76 Ca 0.00 -2.25 -0.34 0.00 -0.00 0.00 0.00 57.50 54.91 1g4f n TRP 76 Cb 0.00 -1.11 -0.14 0.00 -0.00 0.00 0.00 31.31 30.06 1g4f n TRP 76 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 1g4f s LYS 77 N -3.07 3.40 -0.26 5.87 2.20 -1.26 -5.07 119.74 121.55 1g4f s LYS 77 Ca 0.52 -0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 55.20 1g4f s LYS 77 Cb 0.42 -2.83 -0.00 0.00 -1.51 0.00 0.00 37.83 33.91 1g4f s LYS 77 CO 0.04 0.02 1.31 0.99 -0.36 0.00 0.00 175.35 177.35 1g4f s THR 78 N 0.88 4.15 0.07 3.43 2.01 -1.26 -4.95 115.64 119.98 1g4f s THR 78 Ca -0.02 1.33 -0.35 0.00 0.31 0.00 0.00 61.69 62.96 1g4f s THR 78 Cb -0.15 -4.09 -0.14 0.00 0.01 0.00 0.00 72.50 68.13 1g4f s THR 78 CO 0.01 -0.37 1.59 -0.90 -0.69 0.00 0.00 174.62 174.26 1g4f n ASP 79 N 7.40 2.79 -0.67 3.53 5.75 -1.26 -4.71 116.55 129.38 1g4f n ASP 79 Ca 0.15 1.07 0.51 0.00 -0.01 0.00 0.00 54.79 56.51 1g4f n ASP 79 Cb 0.46 -1.35 0.81 0.00 -1.03 0.00 0.00 41.12 40.01 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 6.30 3.72 0.00 2.12 0.00 -1.86 1.66 119.26 131.20 1g4f h ALA 80 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1g4f h ALA 80 Cb 1.28 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1g4f h ALA 80 CO 0.88 -2.29 0.00 0.45 0.00 0.00 0.00 179.25 178.28 1g4f n SER 81 N -4.04 0.00 -1.56 0.00 2.88 -1.26 -2.50 113.62 107.13 1g4f n SER 81 Ca 0.43 0.43 0.04 0.00 -1.33 0.00 0.00 58.87 58.44 1g4f n SER 81 Cb 1.94 -0.45 0.02 0.00 -0.75 0.00 0.00 64.21 64.97 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 -1.45 1.05 -4.86 -3.46 9.92 0.56 -4.98 116.55 113.34 1g4f n ASP 82 Ca 0.01 -2.04 -0.21 0.00 -0.53 0.00 0.00 54.79 52.03 1g4f n ASP 82 Cb 0.05 -0.31 -0.04 0.00 -0.64 0.00 0.00 41.12 40.18 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 -0.26 4.09 -0.06 2.53 1.01 -1.04 -4.85 120.40 121.81 1g4f s VAL 83 Ca 0.34 -1.33 -0.27 0.00 0.00 0.00 0.00 61.98 60.71 1g4f s VAL 83 Cb 0.39 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1g4f s VAL 83 CO -0.16 -0.26 0.89 -0.75 0.00 0.00 0.00 175.10 174.81 1g4f s LYS 84 N -3.94 4.46 0.54 2.72 2.20 -1.26 -4.77 119.74 119.69 1g4f s LYS 84 Ca 0.37 1.21 -0.22 0.00 -0.36 0.00 0.00 55.97 56.97 1g4f s LYS 84 Cb -0.07 -3.49 -0.05 0.00 -1.51 0.00 0.00 37.83 32.71 1g4f s LYS 84 CO 0.26 -0.11 1.36 -2.14 -0.36 0.00 0.00 175.35 174.36 1g4f s PRO 85 N 1.32 3.17 0.00 4.03 0.01 -1.26 -1.98 135.00 140.29 1g4f s PRO 85 Ca 0.45 2.23 0.00 0.00 0.01 0.00 0.00 61.00 63.70 1g4f s PRO 85 Cb -0.19 -2.27 0.00 0.00 0.01 0.00 0.00 34.50 32.05 1g4f s PRO 85 CO 0.21 -1.17 0.34 0.00 0.01 0.00 0.00 177.00 176.40