#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfs s ASN 2 N 0.00 0.15 -0.07 7.83 2.20 -1.26 -0.95 114.94 122.84 1pfs s ASN 2 Ca 0.00 -1.02 -0.15 0.00 -0.94 0.00 0.00 52.86 50.74 1pfs s ASN 2 Cb 0.00 0.38 0.03 0.00 -2.00 0.00 0.00 41.25 39.66 1pfs s ASN 2 CO 0.00 -0.83 0.37 -0.51 -2.94 0.00 0.00 177.10 173.19 1pfs s ILE 3 N -4.01 0.03 -0.06 0.54 2.07 -0.45 -4.92 121.20 114.39 1pfs s ILE 3 Ca 0.21 -0.23 -0.30 0.00 -1.41 0.00 0.00 60.65 58.91 1pfs s ILE 3 Cb 0.05 -0.61 -0.03 0.00 0.13 0.00 0.00 42.46 42.00 1pfs s ILE 3 CO 0.01 -0.13 1.10 -1.58 -1.91 0.00 0.00 174.94 172.44 1pfs s GLN 4 N -0.65 4.40 -0.14 3.50 0.74 -1.26 -1.57 119.66 124.68 1pfs s GLN 4 Ca -0.07 1.54 -0.01 0.00 0.05 0.00 0.00 55.36 56.87 1pfs s GLN 4 Cb -0.04 -3.53 0.04 0.00 1.10 0.00 0.00 33.01 30.58 1pfs s GLN 4 CO 0.03 -0.35 -0.05 0.42 -0.55 0.00 0.00 175.29 174.79 1pfs s ILE 5 N 1.95 0.99 -0.54 -2.34 1.01 0.95 -2.13 121.20 121.09 1pfs s ILE 5 Ca 0.53 -0.45 -0.20 0.00 0.00 0.00 0.00 60.65 60.52 1pfs s ILE 5 Cb -0.22 -1.13 0.06 0.00 0.01 0.00 0.00 42.46 41.18 1pfs s ILE 5 CO 0.21 0.20 0.73 -0.89 0.00 0.00 0.00 174.94 175.19 1pfs s THR 6 N 1.70 4.72 0.63 2.92 2.01 0.98 -1.11 115.64 127.50 1pfs s THR 6 Ca 0.02 -0.38 -0.11 0.00 0.31 0.00 0.00 61.69 61.54 1pfs s THR 6 Cb -0.14 -4.40 -0.03 0.00 0.01 0.00 0.00 72.50 67.94 1pfs s THR 6 CO -0.08 -0.96 1.03 -0.36 -0.69 0.00 0.00 174.62 173.57 1pfs s PHE 7 N 3.02 3.57 0.41 4.92 0.08 -0.66 0.17 117.98 129.48 1pfs s PHE 7 Ca 0.18 1.22 0.04 0.00 0.12 0.00 0.00 56.93 58.50 1pfs s PHE 7 Cb -0.18 -2.77 -0.01 0.00 -0.57 0.00 0.00 43.02 39.48 1pfs s PHE 7 CO 0.13 -0.77 0.13 0.25 -0.10 0.00 0.00 175.22 174.86 1pfs n THR 8 N -2.78 0.00 -0.77 0.64 -2.24 -1.07 -2.50 114.28 105.56 1pfs n THR 8 Ca 0.06 -2.33 -0.04 0.00 -2.27 0.00 0.00 64.05 59.47 1pfs n THR 8 Cb 0.55 0.81 0.28 0.00 -2.10 0.00 0.00 70.33 69.87 1pfs n THR 8 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1pfs n ASP 9 N -1.52 4.61 -4.31 3.42 5.75 -1.26 -4.34 116.55 118.89 1pfs n ASP 9 Ca -0.07 -3.04 -0.45 0.00 -0.01 0.00 0.00 54.79 51.23 1pfs n ASP 9 Cb 0.60 -0.71 -0.06 0.00 -1.03 0.00 0.00 41.12 39.92 1pfs n ASP 9 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1pfs s SER 10 N -0.80 6.12 -0.18 -1.12 0.01 -1.26 -5.03 113.70 111.44 1pfs s SER 10 Ca 0.49 -1.70 0.01 0.00 1.31 0.00 0.00 55.95 56.05 1pfs s SER 10 Cb 0.39 -2.18 0.02 0.00 0.21 0.00 0.00 66.02 64.46 1pfs s SER 10 CO 0.12 -0.79 -0.19 -0.69 0.41 0.00 0.00 173.24 172.10 1pfs s VAL 11 N 1.58 2.01 -0.37 3.43 1.01 -1.26 0.86 120.40 127.66 1pfs s VAL 11 Ca 0.03 -0.92 -0.22 0.00 0.00 0.00 0.00 61.98 60.87 1pfs s VAL 11 Cb -0.28 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.28 1pfs s VAL 11 CO 0.03 0.52 0.71 -0.60 0.00 0.00 0.00 175.10 175.76 1pfs s ARG 12 N 1.31 3.67 0.04 2.72 6.06 0.68 -4.92 118.95 128.50 1pfs s ARG 12 Ca 0.05 0.13 0.05 0.00 -2.50 0.00 0.00 55.73 53.46 1pfs s ARG 12 Cb -0.13 -3.83 -0.03 0.00 0.06 0.00 0.00 34.95 31.02 1pfs s ARG 12 CO -0.13 -0.83 -0.11 -0.65 -2.50 0.00 0.00 175.30 171.08 1pfs s GLN 13 N 2.92 2.29 0.00 5.12 -0.21 -1.26 -0.19 119.66 128.33 1pfs s GLN 13 Ca 0.28 -0.88 0.00 0.00 0.02 0.00 0.00 55.36 54.77 1pfs s GLN 13 Cb -0.14 -2.35 0.00 0.00 1.00 0.00 0.00 33.01 31.52 1pfs s GLN 13 CO 0.16 0.56 0.00 0.41 -2.12 0.00 0.00 175.29 174.30 1pfs n GLY 14 N 1.34 -1.74 3.71 3.09 0.00 -1.05 -5.04 105.19 105.51 1pfs n GLY 14 Ca -0.15 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.44 1pfs n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pfs s THR 15 N -2.16 4.27 0.71 2.61 -4.23 -1.26 -0.96 115.64 114.62 1pfs s THR 15 Ca 0.00 -0.61 -0.05 0.00 -1.18 0.00 0.00 61.69 59.85 1pfs s THR 15 Cb 0.00 -2.94 0.08 0.00 1.34 0.00 0.00 72.50 70.99 1pfs s THR 15 CO 0.00 0.34 1.00 -0.94 -0.54 0.00 0.00 174.62 174.48 1pfs s SER 16 N -1.70 4.64 0.60 3.99 1.04 0.21 -4.90 113.70 117.58 1pfs s SER 16 Ca 0.21 0.23 0.30 0.00 0.48 0.00 0.00 55.95 57.18 1pfs s SER 16 Cb -0.12 -0.81 1.78 0.00 0.10 0.00 0.00 66.02 66.97 1pfs s SER 16 CO 0.12 -1.68 2.17 0.00 0.98 0.00 0.00 173.24 174.83 1pfs h ALA 17 N -0.58 1.63 -0.22 5.32 0.00 -2.00 0.27 119.26 123.67 1pfs h ALA 17 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1pfs h ALA 17 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1pfs h ALA 17 CO 0.54 -0.18 0.00 1.63 0.00 0.00 0.00 179.25 181.24 1pfs n LYS 18 N -3.72 1.60 -0.94 0.00 4.76 -1.26 -4.88 118.16 113.72 1pfs n LYS 18 Ca -0.00 -0.92 0.00 0.00 -2.87 0.00 0.00 58.31 54.51 1pfs n LYS 18 Cb 0.23 -1.27 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 1pfs n LYS 18 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pfs n GLY 19 N 0.97 0.72 3.79 0.72 0.00 0.96 -5.01 105.19 107.35 1pfs n GLY 19 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1pfs n GLY 19 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pfs s ASN 20 N -2.61 7.25 0.19 1.61 -0.87 -1.25 -4.68 114.94 114.57 1pfs s ASN 20 Ca 0.00 1.66 -0.26 0.00 -1.57 0.00 0.00 52.86 52.70 1pfs s ASN 20 Cb 0.00 -2.51 -0.08 0.00 -0.02 0.00 0.00 41.25 38.63 1pfs s ASN 20 CO 0.00 0.00 0.81 -2.16 -2.57 0.00 0.00 177.10 173.18 1pfs s PRO 21 N -1.91 4.59 0.03 -0.60 0.04 -1.26 0.65 135.00 136.54 1pfs s PRO 21 Ca 0.46 1.20 0.02 0.00 0.04 0.00 0.00 61.00 62.72 1pfs s PRO 21 Cb -0.19 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 31.13 1pfs s PRO 21 CO 0.23 0.53 -0.07 1.52 0.04 0.00 0.00 177.00 179.25 1pfs s TYR 22 N -1.21 0.60 -0.33 0.56 -0.85 -0.13 -4.92 117.35 111.05 1pfs s TYR 22 Ca 0.38 -0.42 0.01 0.00 -0.52 0.00 0.00 57.07 56.52 1pfs s TYR 22 Cb -0.23 -0.36 0.10 0.00 0.38 0.00 0.00 41.96 41.85 1pfs s TYR 22 CO 0.27 -0.08 0.10 0.99 -1.52 0.00 0.00 175.55 175.31 1pfs s THR 23 N -1.14 1.39 -0.22 -3.49 2.01 -1.26 -2.52 115.64 110.41 1pfs s THR 23 Ca -0.08 -1.82 -0.11 0.00 0.31 0.00 0.00 61.69 59.98 1pfs s THR 23 Cb -0.08 -2.03 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 1pfs s THR 23 CO 0.00 -0.67 0.20 -0.36 -0.69 0.00 0.00 174.62 173.10 1pfs s PHE 24 N 1.26 3.36 0.01 4.92 0.08 0.74 -2.24 117.98 126.11 1pfs s PHE 24 Ca 0.11 0.34 0.05 0.00 0.12 0.00 0.00 56.93 57.55 1pfs s PHE 24 Cb -0.19 -2.29 -0.03 0.00 -0.57 0.00 0.00 43.02 39.95 1pfs s PHE 24 CO -0.17 0.12 -0.14 -1.14 -0.10 0.00 0.00 175.22 173.79 1pfs s GLN 25 N 0.88 2.31 0.49 0.44 0.74 0.77 0.25 119.66 125.54 1pfs s GLN 25 Ca 0.10 -0.85 -0.14 0.00 0.05 0.00 0.00 55.36 54.52 1pfs s GLN 25 Cb -0.13 -2.32 -0.07 0.00 1.10 0.00 0.00 33.01 31.59 1pfs s GLN 25 CO 0.03 0.57 0.93 -2.00 -0.55 0.00 0.00 175.29 174.28 1pfs s GLU 26 N -1.30 3.86 -0.25 1.67 2.12 0.25 0.25 118.70 125.30 1pfs s GLU 26 Ca 0.15 0.79 -0.28 0.00 0.36 0.00 0.00 54.97 55.99 1pfs s GLU 26 Cb -0.11 -2.20 0.16 0.00 0.26 0.00 0.00 34.13 32.24 1pfs s GLU 26 CO 0.05 -0.24 1.21 0.20 -0.54 0.00 0.00 175.26 175.94 1pfs s GLY 27 N -3.23 -0.00 -0.08 -1.50 0.00 0.89 -2.59 107.32 100.80 1pfs s GLY 27 Ca 0.56 2.72 -0.11 0.00 0.00 0.00 0.00 44.72 47.89 1pfs s GLY 27 CO 0.34 1.42 0.27 -1.36 0.00 0.00 0.00 173.10 173.77 1pfs s PHE 28 N -0.56 3.62 -0.05 1.90 0.08 0.44 0.32 117.98 123.73 1pfs s PHE 28 Ca 0.04 0.71 -0.02 0.00 0.12 0.00 0.00 56.93 57.79 1pfs s PHE 28 Cb -0.03 -2.16 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 1pfs s PHE 28 CO -0.07 0.59 0.07 -1.17 -0.10 0.00 0.00 175.22 174.55 1pfs s LEU 29 N -0.71 3.90 -0.21 -0.37 2.96 0.15 -0.01 118.68 124.39 1pfs s LEU 29 Ca 0.18 0.21 -0.00 0.00 -0.22 0.00 0.00 54.13 54.30 1pfs s LEU 29 Cb -0.14 -2.10 0.02 0.00 0.50 0.00 0.00 46.19 44.47 1pfs s LEU 29 CO 0.07 0.33 -0.13 -1.00 -1.32 0.00 0.00 176.35 174.31 1pfs s HIS 30 N -1.07 2.93 -0.06 5.38 3.76 -0.91 -1.06 115.29 124.25 1pfs s HIS 30 Ca 0.19 -1.55 0.03 0.00 -0.15 0.00 0.00 55.06 53.58 1pfs s HIS 30 Cb -0.12 -1.99 -0.03 0.00 1.11 0.00 0.00 32.58 31.56 1pfs s HIS 30 CO 0.09 -0.74 -0.13 -0.51 -0.85 0.00 0.00 174.74 172.59 1pfs s LEU 31 N 1.32 2.81 0.57 0.89 1.02 -1.26 -4.45 118.68 119.58 1pfs s LEU 31 Ca 0.03 -0.18 0.30 0.00 0.02 0.00 0.00 54.13 54.30 1pfs s LEU 31 Cb -0.15 -1.58 1.74 0.00 0.02 0.00 0.00 46.19 46.21 1pfs s LEU 31 CO -0.08 0.33 2.19 -0.33 0.02 0.00 0.00 176.35 178.48 1pfs h GLU 32 N 5.47 0.00 -0.68 1.70 5.08 -1.99 -1.07 114.58 123.09 1pfs h GLU 32 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1pfs h GLU 32 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1pfs h GLU 32 CO 0.51 0.05 0.00 -0.40 -1.00 0.00 0.00 179.01 178.17 1pfs n ASP 33 N -3.68 3.85 -3.98 1.42 5.75 -1.26 -4.88 116.55 113.77 1pfs n ASP 33 Ca -0.02 -2.10 -0.22 0.00 -0.01 0.00 0.00 54.79 52.44 1pfs n ASP 33 Cb 0.14 -0.48 -0.16 0.00 -1.03 0.00 0.00 41.12 39.59 1pfs n ASP 33 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1pfs s LYS 34 N -1.26 1.24 0.18 0.11 -0.14 -0.41 -5.04 119.74 114.42 1pfs s LYS 34 Ca 0.46 -0.29 -0.01 0.00 -1.36 0.00 0.00 55.97 54.77 1pfs s LYS 34 Cb 0.25 -1.10 0.06 0.00 -1.68 0.00 0.00 37.83 35.37 1pfs s LYS 34 CO 0.29 0.02 1.43 -1.00 -0.76 0.00 0.00 175.35 175.34 1pfs h PRO 35 N 6.87 0.40 -6.46 -1.68 0.13 -1.90 -3.41 132.00 125.95 1pfs h PRO 35 Ca -0.34 -0.33 -0.64 0.00 -0.87 0.00 0.00 66.00 63.82 1pfs h PRO 35 Cb 1.17 0.07 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 1pfs h PRO 35 CO 0.48 0.97 -0.71 -1.01 -0.23 0.00 0.00 178.00 177.50 1pfs s HIS 36 N -3.62 2.78 0.48 1.56 3.76 -1.26 -5.07 115.29 113.92 1pfs s HIS 36 Ca -0.06 -0.15 -0.19 0.00 -0.15 0.00 0.00 55.06 54.52 1pfs s HIS 36 Cb 0.10 -1.41 -0.09 0.00 1.11 0.00 0.00 32.58 32.30 1pfs s HIS 36 CO 0.84 0.47 0.99 -1.25 -0.85 0.00 0.00 174.74 174.94 1pfs s PRO 37 N -2.50 3.98 -0.09 8.40 0.04 -1.26 -4.77 135.00 138.79 1pfs s PRO 37 Ca 0.24 1.14 -0.02 0.00 0.04 0.00 0.00 61.00 62.40 1pfs s PRO 37 Cb -0.10 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 1pfs s PRO 37 CO 0.16 -0.26 -0.00 -0.51 0.04 0.00 0.00 177.00 176.43 1pfs s LEU 38 N -3.59 3.55 -0.20 -3.56 1.43 -0.23 -4.85 118.68 111.23 1pfs s LEU 38 Ca 0.63 0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 53.55 1pfs s LEU 38 Cb -0.12 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.29 1pfs s LEU 38 CO 0.21 0.36 1.13 -1.58 0.23 0.00 0.00 176.35 176.70 1pfs s GLN 39 N -0.75 4.25 0.10 1.70 0.74 -1.26 0.33 119.66 124.76 1pfs s GLN 39 Ca 0.12 1.48 0.03 0.00 0.05 0.00 0.00 55.36 57.03 1pfs s GLN 39 Cb -0.12 -3.69 -0.04 0.00 1.10 0.00 0.00 33.01 30.27 1pfs s GLN 39 CO 0.02 -0.66 -0.08 0.00 -0.55 0.00 0.00 175.29 174.02 1pfs s GLN 41 N -3.31 2.09 0.05 0.00 -0.21 -1.26 -0.08 119.66 116.95 1pfs s GLN 41 Ca 0.08 -0.98 0.08 0.00 0.02 0.00 0.00 55.36 54.55 1pfs s GLN 41 Cb 0.01 -2.23 -0.03 0.00 1.00 0.00 0.00 33.01 31.76 1pfs s GLN 41 CO -0.02 0.53 -0.21 -0.06 -2.12 0.00 0.00 175.29 173.41 1pfs s PHE 42 N -1.01 1.85 -1.22 0.91 0.40 0.14 -4.91 117.98 114.13 1pfs s PHE 42 Ca 0.16 -0.38 -0.11 0.00 -0.60 0.00 0.00 56.93 56.00 1pfs s PHE 42 Cb -0.11 -1.09 0.19 0.00 0.51 0.00 0.00 43.02 42.52 1pfs s PHE 42 CO 0.07 0.11 1.58 0.34 0.70 0.00 0.00 175.22 178.02 1pfs n PHE 43 N 1.73 4.09 -2.13 0.36 -0.00 -1.26 -0.16 117.46 120.08 1pfs n PHE 43 Ca -0.17 -3.14 -0.29 0.00 -0.00 0.00 0.00 57.45 53.84 1pfs n PHE 43 Cb 0.53 -2.01 0.02 0.00 -0.00 0.00 0.00 39.48 38.02 1pfs n PHE 43 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 1pfs s VAL 44 N 0.66 4.35 -0.19 -2.13 -7.23 -0.95 -4.99 120.40 109.92 1pfs s VAL 44 Ca 0.40 0.51 0.05 0.00 -1.81 0.00 0.00 61.98 61.13 1pfs s VAL 44 Cb 0.02 -3.73 -0.22 0.00 0.56 0.00 0.00 36.38 33.01 1pfs s VAL 44 CO 0.00 -0.87 0.09 -0.62 -0.31 0.00 0.00 175.10 173.39 1pfs n GLU 45 N -2.66 0.68 -4.46 4.82 1.02 -1.26 -4.43 120.64 114.36 1pfs n GLU 45 Ca 0.05 0.16 -0.23 0.00 -0.02 0.00 0.00 57.16 57.11 1pfs n GLU 45 Cb 0.55 -1.60 -0.13 0.00 -0.02 0.00 0.00 31.44 30.24 1pfs n GLU 45 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1pfs s SER 46 N -6.33 2.24 0.09 1.62 0.01 -1.26 -5.03 113.70 105.04 1pfs s SER 46 Ca -0.22 -0.55 -0.31 0.00 1.31 0.00 0.00 55.95 56.18 1pfs s SER 46 Cb 0.08 -0.16 -0.08 0.00 0.21 0.00 0.00 66.02 66.07 1pfs s SER 46 CO 0.72 0.09 1.51 -0.69 0.41 0.00 0.00 173.24 175.28 1pfs s VAL 47 N -0.93 3.13 -0.14 3.43 1.01 -1.26 -5.00 120.40 120.63 1pfs s VAL 47 Ca 0.05 0.71 -0.11 0.00 0.00 0.00 0.00 61.98 62.64 1pfs s VAL 47 Cb -0.09 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 1pfs s VAL 47 CO 0.02 0.03 0.21 -0.63 0.00 0.00 0.00 175.10 174.73 1pfs s ILE 48 N 1.77 5.37 0.17 2.22 1.01 -1.26 -5.06 121.20 125.41 1pfs s ILE 48 Ca 0.68 0.36 -0.31 0.00 0.00 0.00 0.00 60.65 61.38 1pfs s ILE 48 Cb -0.38 -3.52 -0.09 0.00 0.01 0.00 0.00 42.46 38.48 1pfs s ILE 48 CO 0.30 0.50 1.46 -2.16 0.00 0.00 0.00 174.94 175.04 1pfs s PRO 49 N -0.18 4.28 0.04 2.79 0.04 -1.26 -4.82 135.00 135.89 1pfs s PRO 49 Ca 0.14 2.22 -0.37 0.00 0.04 0.00 0.00 61.00 63.04 1pfs s PRO 49 Cb -0.12 -3.18 -0.16 0.00 0.04 0.00 0.00 34.50 31.08 1pfs s PRO 49 CO 0.03 -0.48 1.45 0.00 0.04 0.00 0.00 177.00 178.04 1pfs n ALA 50 N 3.50 -0.45 0.00 8.56 0.00 -1.26 -4.84 120.51 126.01 1pfs n ALA 50 Ca 0.11 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1pfs n ALA 50 Cb 0.40 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1pfs n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pfs n GLY 51 N 2.94 2.90 3.71 0.00 0.00 -1.04 -4.94 105.19 108.75 1pfs n GLY 51 Ca 0.19 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 1pfs n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pfs s SER 52 N 0.00 7.28 0.13 1.61 1.04 -1.26 -1.65 113.70 120.85 1pfs s SER 52 Ca 0.00 1.55 0.06 0.00 0.48 0.00 0.00 55.95 58.04 1pfs s SER 52 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 1pfs s SER 52 CO 0.00 -0.23 -0.14 -0.31 0.98 0.00 0.00 173.24 173.54 1pfs s TYR 53 N 0.99 1.43 -0.78 5.02 1.51 -0.27 0.13 117.35 125.39 1pfs s TYR 53 Ca 0.49 -0.56 -0.07 0.00 -1.01 0.00 0.00 57.07 55.92 1pfs s TYR 53 Cb -0.20 -0.74 0.20 0.00 -0.11 0.00 0.00 41.96 41.10 1pfs s TYR 53 CO 0.26 0.16 0.66 -0.65 -1.11 0.00 0.00 175.55 174.86 1pfs s GLN 54 N -2.75 3.16 -0.10 -0.62 -0.21 0.34 -0.03 119.66 119.44 1pfs s GLN 54 Ca 0.10 -2.70 -0.26 0.00 0.02 0.00 0.00 55.36 52.52 1pfs s GLN 54 Cb -0.05 -4.06 -0.03 0.00 1.00 0.00 0.00 33.01 29.88 1pfs s GLN 54 CO 0.03 -1.23 0.82 0.08 -2.12 0.00 0.00 175.29 172.87 1pfs s VAL 55 N -0.32 4.93 -0.43 1.09 1.01 -0.61 -1.70 120.40 124.38 1pfs s VAL 55 Ca 0.20 1.67 -0.29 0.00 0.00 0.00 0.00 61.98 63.56 1pfs s VAL 55 Cb -0.14 -4.15 0.03 0.00 0.00 0.00 0.00 36.38 32.12 1pfs s VAL 55 CO -0.07 0.13 1.12 -2.16 0.00 0.00 0.00 175.10 174.12 1pfs s PRO 56 N 1.44 3.83 0.34 2.72 0.04 -1.26 -1.35 135.00 140.77 1pfs s PRO 56 Ca 0.41 0.71 0.08 0.00 0.04 0.00 0.00 61.00 62.25 1pfs s PRO 56 Cb -0.18 -3.86 -0.04 0.00 0.04 0.00 0.00 34.50 30.47 1pfs s PRO 56 CO 0.18 -1.23 0.17 1.52 0.04 0.00 0.00 177.00 177.67 1pfs s TYR 57 N 4.20 2.73 0.11 0.56 -0.85 -0.12 -1.19 117.35 122.78 1pfs s TYR 57 Ca 0.47 -0.38 -0.03 0.00 -0.52 0.00 0.00 57.07 56.61 1pfs s TYR 57 Cb -0.09 -1.68 -0.03 0.00 0.38 0.00 0.00 41.96 40.54 1pfs s TYR 57 CO 0.27 0.30 0.09 1.03 -1.52 0.00 0.00 175.55 175.72 1pfs s ARG 58 N -3.87 0.86 -0.50 -3.49 0.52 -0.17 -4.51 118.95 107.79 1pfs s ARG 58 Ca 0.38 -1.26 -0.15 0.00 -0.52 0.00 0.00 55.73 54.18 1pfs s ARG 58 Cb -0.03 0.27 0.10 0.00 0.52 0.00 0.00 34.95 35.82 1pfs s ARG 58 CO 0.23 -0.24 0.43 0.42 0.02 0.00 0.00 175.30 176.16 1pfs s ILE 59 N -3.97 5.08 0.25 1.52 1.01 -1.26 0.19 121.20 124.02 1pfs s ILE 59 Ca 0.15 -1.34 -0.01 0.00 0.00 0.00 0.00 60.65 59.45 1pfs s ILE 59 Cb 0.07 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1pfs s ILE 59 CO -0.04 -0.73 0.45 0.21 0.00 0.00 0.00 174.94 174.83 1pfs s ASN 60 N 3.05 6.37 -0.26 3.58 3.04 0.24 -4.85 114.94 126.12 1pfs s ASN 60 Ca 0.04 0.44 -0.01 0.00 0.04 0.00 0.00 52.86 53.37 1pfs s ASN 60 Cb -0.27 -2.03 0.04 0.00 -1.54 0.00 0.00 41.25 37.45 1pfs s ASN 60 CO 0.04 -0.12 -0.06 -0.69 -3.04 0.00 0.00 177.10 173.23 1pfs s VAL 61 N -2.00 2.74 -0.11 -5.21 1.01 -1.26 0.13 120.40 115.70 1pfs s VAL 61 Ca 0.39 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1pfs s VAL 61 Cb -0.11 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1pfs s VAL 61 CO 0.31 0.07 -0.11 0.21 0.00 0.00 0.00 175.10 175.57 1pfs s ASN 62 N 1.26 4.19 -0.93 3.32 2.47 -0.14 -4.59 114.94 120.53 1pfs s ASN 62 Ca -0.03 -0.23 0.00 0.00 0.42 0.00 0.00 52.86 53.02 1pfs s ASN 62 Cb -0.18 -1.39 0.00 0.00 -1.45 0.00 0.00 41.25 38.23 1pfs s ASN 62 CO -0.04 0.23 0.00 -0.46 -3.72 0.00 0.00 177.10 173.12 1pfs n ASN 63 N 3.07 -2.84 0.00 -4.21 0.23 -1.26 0.25 115.26 110.50 1pfs n ASN 63 Ca -0.18 0.25 0.00 0.00 -0.53 0.00 0.00 54.58 54.12 1pfs n ASN 63 Cb 0.53 -2.62 0.00 0.00 -2.08 0.00 0.00 39.78 35.60 1pfs n ASN 63 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pfs n GLY 64 N -0.42 0.65 3.14 4.83 0.00 -1.26 -5.07 105.19 107.05 1pfs n GLY 64 Ca -0.10 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 1pfs n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pfs s ARG 65 N -0.97 2.44 -0.10 1.61 0.52 0.14 -5.11 118.95 117.48 1pfs s ARG 65 Ca 0.00 -0.68 -0.30 0.00 -0.52 0.00 0.00 55.73 54.24 1pfs s ARG 65 Cb 0.00 -1.90 -0.03 0.00 0.52 0.00 0.00 34.95 33.53 1pfs s ARG 65 CO 0.00 0.12 1.40 -1.25 0.02 0.00 0.00 175.30 175.60 1pfs s PRO 66 N 0.45 4.23 0.17 3.54 0.04 -1.26 -0.96 135.00 141.20 1pfs s PRO 66 Ca -0.16 1.87 0.02 0.00 0.04 0.00 0.00 61.00 62.77 1pfs s PRO 66 Cb -0.17 -3.80 -0.05 0.00 0.04 0.00 0.00 34.50 30.52 1pfs s PRO 66 CO 0.07 -0.72 -0.01 -1.21 0.04 0.00 0.00 177.00 175.16 1pfs s GLU 67 N 3.48 1.09 0.06 4.56 2.02 0.36 -4.97 118.70 125.28 1pfs s GLU 67 Ca 0.62 -1.51 -0.20 0.00 0.02 0.00 0.00 54.97 53.90 1pfs s GLU 67 Cb -0.27 -0.31 -0.06 0.00 0.10 0.00 0.00 34.13 33.59 1pfs s GLU 67 CO 0.21 -0.10 0.60 -0.51 0.02 0.00 0.00 175.26 175.48 1pfs s LEU 68 N -3.16 4.50 -0.27 1.80 1.43 -1.26 0.83 118.68 122.55 1pfs s LEU 68 Ca 0.22 1.27 0.02 0.00 -1.03 0.00 0.00 54.13 54.62 1pfs s LEU 68 Cb 0.06 -2.94 0.07 0.00 0.03 0.00 0.00 46.19 43.40 1pfs s LEU 68 CO 0.03 0.22 -0.05 0.00 0.23 0.00 0.00 176.35 176.78 1pfs s ALA 69 N -0.84 2.40 -0.12 4.21 0.00 0.13 -4.83 121.76 122.71 1pfs s ALA 69 Ca 0.30 -1.80 -0.21 0.00 0.00 0.00 0.00 51.96 50.25 1pfs s ALA 69 Cb -0.19 -1.62 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 1pfs s ALA 69 CO 0.19 -1.32 0.62 -0.06 0.00 0.00 0.00 175.76 175.19 1pfs s PHE 70 N 1.18 3.51 -0.91 0.00 0.08 -1.26 -1.00 117.98 119.57 1pfs s PHE 70 Ca -0.03 1.06 -0.16 0.00 0.12 0.00 0.00 56.93 57.92 1pfs s PHE 70 Cb -0.19 -2.73 0.18 0.00 -0.57 0.00 0.00 43.02 39.70 1pfs s PHE 70 CO -0.07 0.04 1.00 0.34 -0.10 0.00 0.00 175.22 176.43 1pfs s ASP 71 N 0.85 6.74 0.00 1.36 -1.08 -0.33 -4.85 116.67 119.35 1pfs s ASP 71 Ca 0.32 -2.43 0.14 0.00 -0.52 0.00 0.00 52.55 50.06 1pfs s ASP 71 Cb -0.16 -2.31 0.61 0.00 -1.46 0.00 0.00 42.92 39.59 1pfs s ASP 71 CO 0.14 -0.81 1.45 0.49 0.52 0.00 0.00 175.17 176.96 1pfs n PHE 72 N 5.28 0.00 0.21 -5.34 3.72 -1.26 -2.28 117.46 117.78 1pfs n PHE 72 Ca 0.21 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.71 1pfs n PHE 72 Cb 0.47 -0.50 0.15 0.00 -0.94 0.00 0.00 39.48 38.67 1pfs n PHE 72 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1pfs h LYS 73 N 0.00 0.00 0.00 -1.08 6.56 -1.96 -3.30 116.57 116.79 1pfs h LYS 73 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1pfs h LYS 73 Cb 0.24 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1pfs h LYS 73 CO 0.00 0.08 -0.00 0.00 -2.06 0.00 0.00 179.45 177.46 1pfs n ALA 74 N -2.12 2.10 -1.77 3.86 0.00 -0.97 -5.04 120.51 116.57 1pfs n ALA 74 Ca 0.04 -1.64 -0.39 0.00 0.00 0.00 0.00 53.44 51.45 1pfs n ALA 74 Cb 0.56 -0.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 1pfs n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pfs s MET 75 N -1.74 4.29 -0.16 0.00 0.23 -1.15 -4.58 119.30 116.19 1pfs s MET 75 Ca 0.13 1.76 -0.03 0.00 -1.03 0.00 0.00 55.69 56.51 1pfs s MET 75 Cb 0.11 -2.83 -0.02 0.00 -1.53 0.00 0.00 34.83 30.56 1pfs s MET 75 CO 0.01 -0.09 -0.05 0.15 -2.03 0.00 0.00 175.02 173.01 1pfs s LYS 76 N -2.05 3.59 0.16 3.16 1.02 -0.69 -4.88 119.74 120.06 1pfs s LYS 76 Ca 0.53 -0.56 -0.32 0.00 0.02 0.00 0.00 55.97 55.65 1pfs s LYS 76 Cb -0.29 -2.90 -0.10 0.00 -0.52 0.00 0.00 37.83 34.01 1pfs s LYS 76 CO 0.37 0.16 1.65 0.50 -0.92 0.00 0.00 175.35 177.12 1pfs s ARG 77 N 0.55 4.18 0.00 1.68 3.52 -1.26 0.12 118.95 127.74 1pfs s ARG 77 Ca -0.04 2.46 0.26 0.00 -0.13 0.00 0.00 55.73 58.28 1pfs s ARG 77 Cb -0.15 -3.22 0.57 0.00 -1.56 0.00 0.00 34.95 30.59 1pfs s ARG 77 CO 0.03 -0.69 1.47 0.00 -0.81 0.00 0.00 175.30 175.30