#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g4g n LYS 2 N 0.00 0.36 -2.34 -0.78 5.02 -1.26 -4.97 118.16 114.19 1g4g n LYS 2 Ca 0.00 -3.10 -0.42 0.00 -2.02 0.00 0.00 58.31 52.77 1g4g n LYS 2 Cb 0.00 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 1g4g n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1g4g s ALA 3 N -0.24 3.46 1.16 7.82 0.00 -1.26 -4.53 121.76 128.17 1g4g s ALA 3 Ca 0.33 0.94 -0.16 0.00 0.00 0.00 0.00 51.96 53.08 1g4g s ALA 3 Cb 0.08 -3.47 0.24 0.00 0.00 0.00 0.00 23.12 19.97 1g4g s ALA 3 CO -0.17 -0.48 0.55 -1.13 0.00 0.00 0.00 175.76 174.53 1g4g n SER 4 N 3.75 -3.32 0.00 0.00 3.41 -1.26 -0.89 113.62 115.31 1g4g n SER 4 Ca 0.09 -0.55 0.00 0.00 -0.26 0.00 0.00 58.87 58.15 1g4g n SER 4 Cb 0.45 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1g4g n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g4g s LYS 6 N 4.40 0.47 -0.95 0.00 2.20 -1.26 -3.94 119.74 120.66 1g4g s LYS 6 Ca 0.00 0.72 -0.31 0.00 -0.36 0.00 0.00 55.97 56.02 1g4g s LYS 6 Cb 0.00 0.06 -0.21 0.00 -1.51 0.00 0.00 37.83 36.16 1g4g s LYS 6 CO 0.00 -0.69 2.62 1.47 -0.36 0.00 0.00 175.35 178.39 1g4g n LEU 7 N 5.40 0.31 0.27 5.43 -0.00 -1.26 -4.71 117.00 122.44 1g4g n LEU 7 Ca -0.02 0.21 0.11 0.00 -0.00 0.00 0.00 56.01 56.32 1g4g n LEU 7 Cb 0.51 -0.90 0.73 0.00 -0.00 0.00 0.00 43.42 43.76 1g4g n LEU 7 CO 0.03 -0.71 1.02 1.55 -0.00 0.00 0.00 177.39 179.28 1g4g h PRO 8 N 11.60 0.00 -5.12 1.47 0.14 -1.98 -3.44 132.00 134.68 1g4g h PRO 8 Ca -0.05 0.00 -0.55 0.00 0.14 0.00 0.00 66.00 65.54 1g4g h PRO 8 Cb 1.29 0.00 -0.13 0.00 0.14 0.00 0.00 31.00 32.30 1g4g h PRO 8 CO 1.35 0.08 -0.54 0.08 0.14 0.00 0.00 178.00 179.10 1g4g s VAL 9 N -4.53 0.85 -1.24 1.56 1.01 -1.26 -5.05 120.40 111.73 1g4g s VAL 9 Ca -0.04 -2.00 0.10 0.00 0.00 0.00 0.00 61.98 60.04 1g4g s VAL 9 Cb 0.15 -2.47 0.10 0.00 0.00 0.00 0.00 36.38 34.16 1g4g s VAL 9 CO 0.60 0.00 0.86 1.17 0.00 0.00 0.00 175.10 177.73 1g4g n LYS 10 N -0.88 0.61 -2.74 2.72 4.81 -1.26 -4.56 118.16 116.86 1g4g n LYS 10 Ca -0.06 -1.18 -0.03 0.00 -0.87 0.00 0.00 58.31 56.17 1g4g n LYS 10 Cb 0.66 -1.20 0.08 0.00 0.02 0.00 0.00 35.03 34.58 1g4g n LYS 10 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1g4g n LYS 11 N 0.56 1.45 -3.19 1.64 5.02 -1.26 -4.52 118.16 117.86 1g4g n LYS 11 Ca 0.06 -2.60 -0.39 0.00 -2.02 0.00 0.00 58.31 53.36 1g4g n LYS 11 Cb 0.27 -0.76 -0.06 0.00 -0.02 0.00 0.00 35.03 34.45 1g4g n LYS 11 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1g4g s ALA 12 N -2.06 3.50 -0.35 7.82 0.00 -1.26 -4.96 121.76 124.45 1g4g s ALA 12 Ca 0.21 -0.22 -0.09 0.00 0.00 0.00 0.00 51.96 51.86 1g4g s ALA 12 Cb 0.39 -2.85 0.03 0.00 0.00 0.00 0.00 23.12 20.69 1g4g s ALA 12 CO -0.06 -0.33 0.15 0.99 0.00 0.00 0.00 175.76 176.52 1g4g s THR 13 N 1.37 4.17 0.48 0.00 2.01 -1.26 -0.54 115.64 121.87 1g4g s THR 13 Ca 0.28 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.34 1g4g s THR 13 Cb -0.16 -3.33 0.02 0.00 0.01 0.00 0.00 72.50 69.05 1g4g s THR 13 CO 0.11 -0.18 0.17 1.33 -0.69 0.00 0.00 174.62 175.36 1g4g n VAL 14 N 4.90 0.00 -3.96 3.82 0.24 -0.89 -3.91 118.33 118.53 1g4g n VAL 14 Ca -0.12 -2.09 -0.30 0.00 -2.04 0.00 0.00 64.34 59.79 1g4g n VAL 14 Cb 0.46 0.20 -0.14 0.00 -1.47 0.00 0.00 33.84 32.89 1g4g n VAL 14 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1g4g s VAL 15 N -2.58 2.47 -0.26 3.34 1.01 -0.50 -1.94 120.40 121.94 1g4g s VAL 15 Ca 0.13 -3.05 -0.22 0.00 0.00 0.00 0.00 61.98 58.85 1g4g s VAL 15 Cb -0.01 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 1g4g s VAL 15 CO 0.08 -0.75 0.70 -0.47 0.00 0.00 0.00 175.10 174.66 1g4g s TYR 16 N 0.04 3.28 -1.52 5.22 5.04 -0.08 -3.61 117.35 125.70 1g4g s TYR 16 Ca 0.15 0.89 -0.05 0.00 -2.44 0.00 0.00 57.07 55.62 1g4g s TYR 16 Cb -0.24 -2.95 0.02 0.00 0.35 0.00 0.00 41.96 39.14 1g4g s TYR 16 CO -0.02 -0.38 0.49 1.04 -1.34 0.00 0.00 175.55 175.34 1g4g n GLN 17 N 5.85 -4.20 -2.76 4.97 1.13 -1.26 -1.70 117.38 119.42 1g4g n GLN 17 Ca 0.01 0.84 -0.06 0.00 -1.94 0.00 0.00 57.00 55.85 1g4g n GLN 17 Cb 0.48 -5.65 0.02 0.00 0.11 0.00 0.00 30.24 25.20 1g4g n GLN 17 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1g4g n GLY 18 N -1.38 0.53 2.71 1.08 0.00 -1.25 -5.04 105.19 101.83 1g4g n GLY 18 Ca -0.12 -0.44 -0.18 0.00 0.00 0.00 0.00 46.02 45.29 1g4g n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g4g s GLU 19 N -5.30 -0.06 -0.26 1.61 2.02 -0.69 -5.10 118.70 110.93 1g4g s GLU 19 Ca 0.15 0.30 -0.27 0.00 0.02 0.00 0.00 54.97 55.17 1g4g s GLU 19 Cb -0.07 -0.39 0.00 0.00 0.10 0.00 0.00 34.13 33.77 1g4g s GLU 19 CO 0.19 -0.26 0.94 1.03 0.02 0.00 0.00 175.26 177.18 1g4g s ARG 20 N 1.69 4.16 0.07 1.61 0.52 -1.26 -0.91 118.95 124.83 1g4g s ARG 20 Ca -0.01 1.06 -0.05 0.00 -0.52 0.00 0.00 55.73 56.21 1g4g s ARG 20 Cb -0.12 -3.67 -0.02 0.00 0.52 0.00 0.00 34.95 31.65 1g4g s ARG 20 CO -0.03 -0.64 0.07 0.14 0.02 0.00 0.00 175.30 174.86 1g4g s VAL 21 N 3.12 0.18 -0.46 3.52 -7.23 -0.82 -4.97 120.40 113.75 1g4g s VAL 21 Ca 0.39 -1.51 -0.21 0.00 -1.81 0.00 0.00 61.98 58.85 1g4g s VAL 21 Cb -0.14 -1.43 0.03 0.00 0.56 0.00 0.00 36.38 35.40 1g4g s VAL 21 CO 0.09 -0.83 0.67 -0.54 -0.31 0.00 0.00 175.10 174.18 1g4g s LYS 22 N -3.88 3.27 0.62 4.82 -0.14 -1.26 -2.09 119.74 121.08 1g4g s LYS 22 Ca 0.06 -0.41 0.25 0.00 -1.36 0.00 0.00 55.97 54.51 1g4g s LYS 22 Cb 0.06 -3.98 1.23 0.00 -1.68 0.00 0.00 37.83 33.47 1g4g s LYS 22 CO -0.10 -1.08 1.68 0.97 -0.76 0.00 0.00 175.35 176.06 1g4g h ILE 23 N 5.89 0.16 0.00 2.17 2.10 -1.19 1.10 117.51 127.74 1g4g h ILE 23 Ca -0.26 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.68 1g4g h ILE 23 Cb 1.09 0.43 0.00 0.00 -1.09 0.00 0.00 36.82 37.25 1g4g h ILE 23 CO 0.92 0.00 0.00 0.06 -1.08 0.00 0.00 178.15 178.05 1g4g h GLN 24 N 0.00 0.00 0.00 2.19 3.07 -1.79 -2.65 115.11 115.93 1g4g h GLN 24 Ca 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.93 1g4g h GLN 24 Cb 1.52 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.08 1g4g h GLN 24 CO -0.00 0.00 -0.24 0.39 0.09 0.00 0.00 178.83 179.07 1g4g n GLU 25 N -2.43 0.10 0.03 0.06 1.02 0.37 -4.10 120.64 115.69 1g4g n GLU 25 Ca 0.02 0.04 0.20 0.00 -0.02 0.00 0.00 57.16 57.40 1g4g n GLU 25 Cb 0.26 -0.68 0.70 0.00 -0.02 0.00 0.00 31.44 31.70 1g4g n GLU 25 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1g4g h LYS 26 N -0.19 0.00 -0.85 3.49 1.63 -1.47 -1.77 116.57 117.42 1g4g h LYS 26 Ca -0.01 0.00 -0.54 0.00 -0.85 0.00 0.00 60.65 59.25 1g4g h LYS 26 Cb 0.23 0.00 -0.43 0.00 -0.60 0.00 0.00 32.23 31.43 1g4g h LYS 26 CO -0.00 0.00 -0.82 1.19 -3.45 0.00 0.00 179.45 176.36 1g4g n PHE 27 N -4.30 2.76 -0.36 1.91 3.72 -1.00 -4.84 117.46 115.37 1g4g n PHE 27 Ca 0.09 -2.35 0.26 0.00 -0.05 0.00 0.00 57.45 55.40 1g4g n PHE 27 Cb 0.57 -0.30 0.52 0.00 -0.94 0.00 0.00 39.48 39.33 1g4g n PHE 27 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1g4g h LYS 28 N 2.26 0.29 -2.04 -1.08 3.64 -1.42 0.11 116.57 118.33 1g4g h LYS 28 Ca 0.33 -0.02 -0.77 0.00 -1.27 0.00 0.00 60.65 58.92 1g4g h LYS 28 Cb 1.44 -0.07 -0.27 0.00 -0.41 0.00 0.00 32.23 32.92 1g4g h LYS 28 CO 0.74 0.19 1.04 0.09 -2.27 0.00 0.00 179.45 179.25 1g4g n ASN 29 N -4.86 7.48 -0.48 4.20 3.02 -1.26 -4.91 115.26 118.45 1g4g n ASN 29 Ca 0.31 -3.81 0.06 0.00 -0.03 0.00 0.00 54.58 51.11 1g4g n ASN 29 Cb 1.05 -1.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.12 1g4g n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g4g n GLY 30 N -0.45 -1.62 3.73 7.41 0.00 0.36 -4.82 105.19 109.80 1g4g n GLY 30 Ca 0.53 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 1g4g n GLY 30 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1g4g s MET 31 N -1.61 2.68 0.91 1.61 -1.94 -1.25 -4.60 119.30 115.10 1g4g s MET 31 Ca 0.00 -0.87 -0.11 0.00 -1.71 0.00 0.00 55.69 53.01 1g4g s MET 31 Cb 0.00 -2.57 0.14 0.00 2.01 0.00 0.00 34.83 34.40 1g4g s MET 31 CO 0.00 0.52 1.12 1.28 -0.01 0.00 0.00 175.02 177.93 1g4g n LEU 32 N 0.18 3.31 -4.71 -0.03 4.77 -1.26 0.25 117.00 119.50 1g4g n LEU 32 Ca -0.09 0.44 -0.42 0.00 -0.03 0.00 0.00 56.01 55.90 1g4g n LEU 32 Cb 0.53 -1.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.12 1g4g n LEU 32 CO 0.41 -2.17 0.94 -2.28 -1.33 0.00 0.00 177.39 172.96 1g4g s HIS 33 N -2.57 3.37 0.00 -1.77 5.65 -1.26 -2.58 115.29 116.14 1g4g s HIS 33 Ca 0.67 1.20 0.00 0.00 0.25 0.00 0.00 55.06 57.18 1g4g s HIS 33 Cb -0.24 -3.50 0.00 0.00 -1.18 0.00 0.00 32.58 27.67 1g4g s HIS 33 CO 0.58 -1.60 0.00 0.41 -0.65 0.00 0.00 174.74 173.47 1g4g n GLY 34 N 3.30 2.84 3.61 1.59 0.00 0.59 -4.90 105.19 112.23 1g4g n GLY 34 Ca 0.10 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.52 1g4g n GLY 34 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1g4g n ASP 35 N 0.00 0.95 -4.73 1.61 2.03 -1.06 -3.69 116.55 111.66 1g4g n ASP 35 Ca 0.00 1.15 -0.35 0.00 0.52 0.00 0.00 54.79 56.11 1g4g n ASP 35 Cb 0.00 -0.99 -0.08 0.00 -0.72 0.00 0.00 41.12 39.33 1g4g n ASP 35 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1g4g s LYS 36 N 1.32 4.19 -0.00 -0.67 1.02 -1.26 -0.32 119.74 124.02 1g4g s LYS 36 Ca 0.94 -0.21 -0.00 0.00 0.02 0.00 0.00 55.97 56.72 1g4g s LYS 36 Cb -1.24 -3.42 -0.00 0.00 -0.52 0.00 0.00 37.83 32.65 1g4g s LYS 36 CO 0.62 0.30 0.00 0.14 -0.92 0.00 0.00 175.35 175.49 1g4g s VAL 37 N 0.36 0.00 -0.10 3.17 -7.23 -0.80 -4.62 120.40 111.18 1g4g s VAL 37 Ca 0.08 -0.03 -0.06 0.00 -1.81 0.00 0.00 61.98 60.16 1g4g s VAL 37 Cb -0.11 -0.02 -0.04 0.00 0.56 0.00 0.00 36.38 36.77 1g4g s VAL 37 CO -0.02 -0.02 0.15 -0.44 -0.31 0.00 0.00 175.10 174.47 1g4g s SER 38 N -0.04 6.39 -0.12 4.85 0.01 -1.24 0.25 113.70 123.80 1g4g s SER 38 Ca -0.00 0.46 -0.07 0.00 1.31 0.00 0.00 55.95 57.64 1g4g s SER 38 Cb -0.00 -2.06 -0.04 0.00 0.21 0.00 0.00 66.02 64.12 1g4g s SER 38 CO -0.00 0.39 0.14 -0.36 0.41 0.00 0.00 173.24 173.82 1g4g s PHE 39 N -1.07 3.59 -0.05 2.43 0.40 -0.92 -1.41 117.98 120.95 1g4g s PHE 39 Ca 0.17 0.52 -0.30 0.00 -0.60 0.00 0.00 56.93 56.72 1g4g s PHE 39 Cb -0.12 -1.95 -0.02 0.00 0.51 0.00 0.00 43.02 41.44 1g4g s PHE 39 CO 0.06 0.72 1.00 -0.06 0.70 0.00 0.00 175.22 177.64 1g4g s PHE 40 N -0.96 3.58 0.38 0.36 0.08 -1.25 -0.24 117.98 119.91 1g4g s PHE 40 Ca 0.15 1.63 0.05 0.00 0.12 0.00 0.00 56.93 58.88 1g4g s PHE 40 Cb -0.12 -3.16 -0.03 0.00 -0.57 0.00 0.00 43.02 39.14 1g4g s PHE 40 CO 0.04 -0.16 0.18 0.00 -0.10 0.00 0.00 175.22 175.18 1g4g s LYS 42 N -3.62 1.38 -0.12 0.00 -2.85 -1.26 -1.48 119.74 111.79 1g4g s LYS 42 Ca 0.30 -1.39 0.01 0.00 -1.00 0.00 0.00 55.97 53.88 1g4g s LYS 42 Cb 0.02 -1.72 -0.01 0.00 -2.06 0.00 0.00 37.83 34.06 1g4g s LYS 42 CO 0.19 0.39 -0.15 1.21 0.10 0.00 0.00 175.35 177.09 1g4g s ASN 43 N -2.34 3.90 -0.07 0.03 3.84 0.72 -4.92 114.94 116.10 1g4g s ASN 43 Ca 0.15 -0.35 -0.05 0.00 0.21 0.00 0.00 52.86 52.83 1g4g s ASN 43 Cb -0.09 -1.53 -0.28 0.00 -0.55 0.00 0.00 41.25 38.81 1g4g s ASN 43 CO 0.07 0.18 0.58 0.50 -2.79 0.00 0.00 177.10 175.64 1g4g h LYS 44 N 6.60 0.28 0.00 0.43 3.64 -1.96 -0.12 116.57 125.44 1g4g h LYS 44 Ca -0.26 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 58.65 1g4g h LYS 44 Cb 1.21 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1g4g h LYS 44 CO 0.54 1.15 0.00 1.49 -2.27 0.00 0.00 179.45 180.36 1g4g h GLU 45 N 0.08 0.00 0.00 1.90 4.81 -1.96 -3.19 114.58 116.21 1g4g h GLU 45 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1g4g h GLU 45 Cb 2.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.43 1g4g h GLU 45 CO 0.13 0.00 -1.49 1.63 -0.73 0.00 0.00 179.01 178.55 1g4g n LYS 46 N -3.00 0.42 -2.29 1.92 5.02 -1.25 -5.01 118.16 113.97 1g4g n LYS 46 Ca 0.02 -0.10 -0.11 0.00 -2.02 0.00 0.00 58.31 56.10 1g4g n LYS 46 Cb 0.37 -1.26 -0.00 0.00 -0.02 0.00 0.00 35.03 34.12 1g4g n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1g4g n LYS 47 N -1.87 -1.18 -3.25 1.97 5.02 -0.08 -5.00 118.16 113.77 1g4g n LYS 47 Ca -0.02 0.51 -0.11 0.00 -2.02 0.00 0.00 58.31 56.67 1g4g n LYS 47 Cb 0.29 -4.58 -0.03 0.00 -0.02 0.00 0.00 35.03 30.69 1g4g n LYS 47 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1g4g s SER 49 N -2.42 3.98 0.23 0.00 1.04 -0.97 0.26 113.70 115.81 1g4g s SER 49 Ca 0.22 -1.34 -0.09 0.00 0.48 0.00 0.00 55.95 55.21 1g4g s SER 49 Cb 0.00 -0.36 0.04 0.00 0.10 0.00 0.00 66.02 65.80 1g4g s SER 49 CO 0.15 -0.49 0.48 0.00 0.98 0.00 0.00 173.24 174.36 1g4g n TYR 50 N -1.03 -1.79 -4.54 5.02 0.18 -0.55 -2.44 117.16 112.02 1g4g n TYR 50 Ca -0.05 -1.10 -0.31 0.00 1.88 0.00 0.00 57.90 58.33 1g4g n TYR 50 Cb 0.67 0.55 -0.12 0.00 -0.38 0.00 0.00 39.34 40.05 1g4g n TYR 50 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 1g4g s THR 51 N -2.45 2.92 -0.70 -3.48 -4.23 -1.26 -0.87 115.64 105.57 1g4g s THR 51 Ca 0.10 -1.22 0.01 0.00 -1.18 0.00 0.00 61.69 59.40 1g4g s THR 51 Cb -0.03 -2.27 0.17 0.00 1.34 0.00 0.00 72.50 71.72 1g4g s THR 51 CO 0.07 0.28 0.51 -1.61 -0.54 0.00 0.00 174.62 173.32 1g4g s GLU 52 N -1.63 2.61 0.35 3.99 0.41 0.66 -4.78 118.70 120.31 1g4g s GLU 52 Ca 0.16 -2.96 -0.23 0.00 -0.41 0.00 0.00 54.97 51.53 1g4g s GLU 52 Cb -0.11 -3.63 -0.16 0.00 -1.78 0.00 0.00 34.13 28.45 1g4g s GLU 52 CO 0.07 -1.21 0.20 -0.25 -0.49 0.00 0.00 175.26 173.57 1g4g n ASP 53 N 2.71 -2.46 -3.89 -0.19 9.92 -1.26 -2.16 116.55 119.22 1g4g n ASP 53 Ca 0.14 0.89 -0.20 0.00 -0.53 0.00 0.00 54.79 55.09 1g4g n ASP 53 Cb 0.36 -0.90 -0.09 0.00 -0.64 0.00 0.00 41.12 39.85 1g4g n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1g4g s ALA 54 N -1.51 2.04 -0.01 2.24 0.00 0.70 -4.80 121.76 120.42 1g4g s ALA 54 Ca 0.60 -1.74 0.02 0.00 0.00 0.00 0.00 51.96 50.84 1g4g s ALA 54 Cb -0.71 1.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.58 1g4g s ALA 54 CO 0.61 -0.52 -0.06 -1.14 0.00 0.00 0.00 175.76 174.65 1g4g s GLN 55 N -3.75 0.50 0.27 0.00 0.74 -1.26 -1.91 119.66 114.25 1g4g s GLN 55 Ca 0.35 -0.21 -0.00 0.00 0.05 0.00 0.00 55.36 55.55 1g4g s GLN 55 Cb 0.04 -0.49 -0.04 0.00 1.10 0.00 0.00 33.01 33.63 1g4g s GLN 55 CO 0.19 0.12 0.47 0.00 -0.55 0.00 0.00 175.29 175.51 1g4g s ILE 57 N -2.07 0.00 -0.71 0.00 -1.09 0.89 -0.30 121.20 117.92 1g4g s ILE 57 Ca 0.39 -1.99 -0.26 0.00 -2.23 0.00 0.00 60.65 56.57 1g4g s ILE 57 Cb -0.10 -2.51 -0.14 0.00 -1.58 0.00 0.00 42.46 38.13 1g4g s ILE 57 CO 0.32 0.00 2.46 -0.67 -1.23 0.00 0.00 174.94 175.82 1g4g n ASP 58 N -1.64 1.43 -1.25 3.58 2.03 -1.24 -2.02 116.55 117.45 1g4g n ASP 58 Ca 0.08 -0.54 -0.11 0.00 0.52 0.00 0.00 54.79 54.74 1g4g n ASP 58 Cb 0.62 -1.36 -0.05 0.00 -0.72 0.00 0.00 41.12 39.61 1g4g n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1g4g n GLY 59 N 6.23 1.08 2.95 0.27 0.00 0.59 -4.87 105.19 111.43 1g4g n GLY 59 Ca 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.40 1g4g n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g4g s THR 60 N -1.93 0.10 -0.14 2.61 2.01 -0.85 -4.71 115.64 112.73 1g4g s THR 60 Ca 0.00 -0.63 -0.27 0.00 0.31 0.00 0.00 61.69 61.11 1g4g s THR 60 Cb 0.00 -0.20 0.07 0.00 0.01 0.00 0.00 72.50 72.38 1g4g s THR 60 CO 0.00 -0.33 0.66 -0.51 -0.69 0.00 0.00 174.62 173.74 1g4g s ILE 61 N -0.99 0.00 -0.82 1.82 2.07 -1.26 -0.08 121.20 121.94 1g4g s ILE 61 Ca -0.11 -0.03 -0.06 0.00 -1.41 0.00 0.00 60.65 59.05 1g4g s ILE 61 Cb -0.07 -0.95 0.21 0.00 0.13 0.00 0.00 42.46 41.78 1g4g s ILE 61 CO -0.01 -0.02 0.71 -1.61 -1.91 0.00 0.00 174.94 172.11 1g4g s GLU 62 N -0.53 3.25 0.45 3.50 2.02 -1.26 -5.04 118.70 121.08 1g4g s GLU 62 Ca -0.06 -2.86 -0.24 0.00 0.02 0.00 0.00 54.97 51.83 1g4g s GLU 62 Cb -0.02 -4.07 -0.09 0.00 0.10 0.00 0.00 34.13 30.05 1g4g s GLU 62 CO 0.06 -1.24 1.08 0.28 0.02 0.00 0.00 175.26 175.46 1g4g n VAL 63 N 3.10 2.72 -1.81 2.63 0.31 -1.26 -4.84 118.33 119.18 1g4g n VAL 63 Ca 0.16 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.57 1g4g n VAL 63 Cb 0.40 -1.28 -0.03 0.00 -0.91 0.00 0.00 33.84 32.02 1g4g n VAL 63 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1g4g s PRO 64 N -2.21 4.16 0.17 5.55 0.05 -1.26 -4.90 135.00 136.56 1g4g s PRO 64 Ca 0.65 2.49 -0.18 0.00 0.05 0.00 0.00 61.00 64.01 1g4g s PRO 64 Cb -0.52 -3.44 0.10 0.00 0.05 0.00 0.00 34.50 30.69 1g4g s PRO 64 CO 0.55 -0.76 1.65 0.87 0.05 0.00 0.00 177.00 179.36 1g4g h LYS 65 N 7.95 -0.07 -1.57 4.56 1.57 -2.01 0.16 116.57 127.16 1g4g h LYS 65 Ca -0.44 0.00 0.45 0.00 -1.87 0.00 0.00 60.65 58.80 1g4g h LYS 65 Cb 1.21 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.47 1g4g h LYS 65 CO 0.94 -0.05 1.21 0.00 -0.57 0.00 0.00 179.45 180.99 1g4g n PHE 67 N -3.87 -1.91 -3.40 0.00 7.35 0.55 -4.93 117.46 111.24 1g4g n PHE 67 Ca 0.35 -0.12 -0.15 0.00 -0.76 0.00 0.00 57.45 56.76 1g4g n PHE 67 Cb 1.70 -1.53 -0.10 0.00 0.35 0.00 0.00 39.48 39.90 1g4g n PHE 67 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1g4g s LYS 68 N -3.94 0.30 0.21 -4.13 1.02 -1.26 -5.03 119.74 106.91 1g4g s LYS 68 Ca 0.58 0.08 -0.19 0.00 0.02 0.00 0.00 55.97 56.47 1g4g s LYS 68 Cb -0.15 -0.73 0.19 0.00 -0.52 0.00 0.00 37.83 36.63 1g4g s LYS 68 CO 0.60 -0.87 1.56 1.49 -0.92 0.00 0.00 175.35 177.21 1g4g h GLU 69 N 8.25 -0.05 0.00 1.68 4.81 -1.95 -3.42 114.58 123.91 1g4g h GLU 69 Ca -0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1g4g h GLU 69 Cb 1.11 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1g4g h GLU 69 CO 0.31 -0.03 0.00 -2.39 -0.73 0.00 0.00 179.01 176.16 1g4g n HIS 70 N -5.45 0.00 -2.98 0.92 1.44 -1.26 -4.95 115.22 102.94 1g4g n HIS 70 Ca 0.08 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.78 1g4g n HIS 70 Cb 0.38 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.48 1g4g n HIS 70 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1g4g n SER 71 N -1.08 -6.06 -3.32 4.39 7.64 -1.26 -4.92 113.62 109.01 1g4g n SER 71 Ca 0.00 0.93 0.00 0.00 1.01 0.00 0.00 58.87 60.81 1g4g n SER 71 Cb 0.00 -2.77 0.00 0.00 -1.01 0.00 0.00 64.21 60.43 1g4g n SER 71 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1g4g n SER 72 N 1.75 -0.63 -3.13 6.43 7.64 -1.26 -4.59 113.62 119.84 1g4g n SER 72 Ca -0.08 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.76 1g4g n SER 72 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 1g4g n SER 72 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1g4g n LEU 73 N 0.00 -6.28 -4.47 -3.43 4.32 -1.26 -4.88 117.00 101.00 1g4g n LEU 73 Ca 0.00 -0.12 -0.43 0.00 -0.02 0.00 0.00 56.01 55.44 1g4g n LEU 73 Cb 0.00 -3.10 -0.03 0.00 -1.62 0.00 0.00 43.42 38.67 1g4g n LEU 73 CO 0.00 -1.06 1.04 0.00 -1.22 0.00 0.00 177.39 176.15 1g4g s ALA 74 N -2.94 3.21 0.00 -1.18 0.00 -1.26 -4.98 121.76 114.61 1g4g s ALA 74 Ca 0.03 -2.52 0.00 0.00 0.00 0.00 0.00 51.96 49.47 1g4g s ALA 74 Cb -0.01 -4.11 0.00 0.00 0.00 0.00 0.00 23.12 19.01 1g4g s ALA 74 CO 0.77 -3.07 0.00 1.19 0.00 0.00 0.00 175.76 174.65 1g4g n PHE 75 N 7.17 0.00 -1.57 0.00 3.01 -1.26 -4.96 117.46 119.85 1g4g n PHE 75 Ca 0.21 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.44 1g4g n PHE 75 Cb 0.49 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.91 1g4g n PHE 75 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1g4g s TRP 76 N 1.73 1.11 -0.30 1.38 0.51 -1.26 -4.75 118.94 117.35 1g4g s TRP 76 Ca 0.00 1.82 -0.18 0.00 -2.12 0.00 0.00 56.10 55.63 1g4g s TRP 76 Cb 0.00 -3.49 0.17 0.00 -0.81 0.00 0.00 33.47 29.34 1g4g s TRP 76 CO 0.00 -1.97 1.22 -1.59 -0.51 0.00 0.00 176.95 174.11 1g4g s LYS 77 N 8.64 0.03 0.28 4.98 -2.85 -1.26 -5.15 119.74 124.42 1g4g s LYS 77 Ca 0.95 0.05 -0.29 0.00 -1.00 0.00 0.00 55.97 55.68 1g4g s LYS 77 Cb -0.15 0.03 -0.09 0.00 -2.06 0.00 0.00 37.83 35.56 1g4g s LYS 77 CO 0.15 -0.04 1.07 0.99 0.10 0.00 0.00 175.35 177.62 1g4g s THR 78 N 2.99 3.60 0.29 3.79 2.01 -1.26 -4.99 115.64 122.08 1g4g s THR 78 Ca -0.03 1.58 -0.29 0.00 0.31 0.00 0.00 61.69 63.25 1g4g s THR 78 Cb -0.07 -3.99 -0.10 0.00 0.01 0.00 0.00 72.50 68.35 1g4g s THR 78 CO -0.09 0.35 1.34 -1.81 -0.69 0.00 0.00 174.62 173.71 1g4g s ASP 79 N -1.00 6.76 0.47 3.53 1.01 -1.26 -4.84 116.67 121.33 1g4g s ASP 79 Ca 0.45 2.65 0.34 0.00 0.71 0.00 0.00 52.55 56.70 1g4g s ASP 79 Cb -0.30 -2.64 1.49 0.00 1.01 0.00 0.00 42.92 42.48 1g4g s ASP 79 CO 0.38 -0.58 1.63 0.00 0.21 0.00 0.00 175.17 176.81 1g4g h ALA 80 N 4.04 2.98 0.00 5.23 0.00 -1.82 1.82 119.26 131.50 1g4g h ALA 80 Ca -0.48 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1g4g h ALA 80 Cb 1.22 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1g4g h ALA 80 CO 0.70 -1.58 0.01 0.45 0.00 0.00 0.00 179.25 178.83 1g4g n SER 81 N -4.52 0.38 -0.87 0.00 2.88 -1.26 -1.52 113.62 108.71 1g4g n SER 81 Ca 0.38 0.67 0.05 0.00 -1.33 0.00 0.00 58.87 58.64 1g4g n SER 81 Cb 1.53 -0.72 0.15 0.00 -0.75 0.00 0.00 64.21 64.42 1g4g n SER 81 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1g4g n ASP 82 N -2.01 1.48 -4.67 -3.46 8.00 0.62 -5.06 116.55 111.46 1g4g n ASP 82 Ca -0.01 -3.27 -0.24 0.00 0.71 0.00 0.00 54.79 51.98 1g4g n ASP 82 Cb 0.03 -0.45 -0.08 0.00 -0.02 0.00 0.00 41.12 40.60 1g4g n ASP 82 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1g4g s VAL 83 N -2.18 2.81 0.04 2.53 1.01 -0.58 -4.84 120.40 119.19 1g4g s VAL 83 Ca 0.36 -1.87 -0.19 0.00 0.00 0.00 0.00 61.98 60.28 1g4g s VAL 83 Cb 0.37 -2.86 -0.06 0.00 0.00 0.00 0.00 36.38 33.83 1g4g s VAL 83 CO -0.10 -0.20 0.55 -0.75 0.00 0.00 0.00 175.10 174.60 1g4g s LYS 84 N -3.76 4.20 0.30 2.72 2.20 -1.26 -4.84 119.74 119.30 1g4g s LYS 84 Ca 0.36 0.68 -0.29 0.00 -0.36 0.00 0.00 55.97 56.35 1g4g s LYS 84 Cb -0.01 -3.27 -0.11 0.00 -1.51 0.00 0.00 37.83 32.93 1g4g s LYS 84 CO 0.20 0.56 1.52 -1.25 -0.36 0.00 0.00 175.35 176.03 1g4g s PRO 85 N -0.82 4.16 0.00 4.03 0.05 -1.26 -2.30 135.00 138.86 1g4g s PRO 85 Ca 0.29 2.50 0.00 0.00 0.05 0.00 0.00 61.00 63.83 1g4g s PRO 85 Cb -0.19 -3.03 0.00 0.00 0.05 0.00 0.00 34.50 31.33 1g4g s PRO 85 CO 0.17 -0.54 0.13 0.00 0.05 0.00 0.00 177.00 176.81