#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f5k h PRO 7 N 0.00 -0.46 -5.41 -0.67 0.11 -2.01 -3.43 132.00 120.14 2f5k h PRO 7 Ca 0.00 0.03 -0.64 0.00 0.11 0.00 0.00 66.00 65.51 2f5k h PRO 7 Cb 0.00 0.11 -0.19 0.00 0.11 0.00 0.00 31.00 31.03 2f5k h PRO 7 CO 0.00 -0.31 -0.62 0.15 -0.21 0.00 0.00 178.00 177.01 2f5k s LYS 8 N -5.92 3.66 0.23 1.05 1.02 -1.26 -5.10 119.74 113.43 2f5k s LYS 8 Ca -0.15 -0.44 -0.29 0.00 0.02 0.00 0.00 55.97 55.10 2f5k s LYS 8 Cb 0.09 -2.99 -0.09 0.00 -0.52 0.00 0.00 37.83 34.32 2f5k s LYS 8 CO 0.65 0.33 0.92 -1.25 -0.92 0.00 0.00 175.35 175.07 2f5k s PRO 9 N 0.15 4.82 0.37 -1.68 0.04 -1.26 -4.97 135.00 132.47 2f5k s PRO 9 Ca 0.01 1.44 0.19 0.00 0.04 0.00 0.00 61.00 62.68 2f5k s PRO 9 Cb -0.13 -3.28 0.63 0.00 0.04 0.00 0.00 34.50 31.77 2f5k s PRO 9 CO 0.02 0.52 1.71 -0.22 0.04 0.00 0.00 177.00 179.07 2f5k h LYS 10 N 4.20 0.00 -5.54 4.56 3.64 -1.99 -3.44 116.57 118.01 2f5k h LYS 10 Ca -0.45 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.47 2f5k h LYS 10 Cb 1.20 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.88 2f5k h LYS 10 CO 0.68 0.37 -0.72 -0.06 -2.27 0.00 0.00 179.45 177.45 2f5k s PHE 11 N -3.53 1.76 0.29 1.91 0.40 -1.26 -5.09 117.98 112.46 2f5k s PHE 11 Ca 0.01 -0.61 0.06 0.00 -0.60 0.00 0.00 56.93 55.78 2f5k s PHE 11 Cb 0.10 -0.87 -0.06 0.00 0.51 0.00 0.00 43.02 42.70 2f5k s PHE 11 CO 0.69 0.33 -0.04 1.14 0.70 0.00 0.00 175.22 178.03 2f5k s GLN 12 N -3.67 1.58 0.22 0.44 -2.07 -1.26 -5.00 119.66 109.90 2f5k s GLN 12 Ca 0.24 -1.82 -0.31 0.00 -1.82 0.00 0.00 55.36 51.65 2f5k s GLN 12 Cb 0.01 -1.14 -0.11 0.00 -1.09 0.00 0.00 33.01 30.67 2f5k s GLN 12 CO 0.08 0.01 1.66 -1.21 -1.32 0.00 0.00 175.29 174.51 2f5k s GLU 13 N -3.75 4.14 0.00 9.60 2.02 -1.26 -1.12 118.70 128.33 2f5k s GLU 13 Ca 0.31 2.56 0.00 0.00 0.02 0.00 0.00 54.97 57.85 2f5k s GLU 13 Cb 0.05 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 31.20 2f5k s GLU 13 CO 0.13 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 175.12 2f5k n GLY 14 N 3.52 1.93 3.71 -1.39 0.00 0.22 -5.00 105.19 108.18 2f5k n GLY 14 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2f5k n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2f5k s GLU 15 N -0.73 4.39 0.18 1.61 2.12 -0.27 -4.75 118.70 121.24 2f5k s GLU 15 Ca 0.00 1.82 -0.30 0.00 0.36 0.00 0.00 54.97 56.85 2f5k s GLU 15 Cb 0.00 -3.39 -0.08 0.00 0.26 0.00 0.00 34.13 30.92 2f5k s GLU 15 CO 0.00 -0.35 1.28 0.50 -0.54 0.00 0.00 175.26 176.15 2f5k s ARG 16 N 1.40 4.41 0.30 4.30 3.52 -1.26 -0.95 118.95 130.66 2f5k s ARG 16 Ca 0.60 1.99 0.05 0.00 -0.13 0.00 0.00 55.73 58.23 2f5k s ARG 16 Cb -0.30 -3.22 -0.03 0.00 -1.56 0.00 0.00 34.95 29.83 2f5k s ARG 16 CO 0.28 -0.23 0.24 0.08 -0.81 0.00 0.00 175.30 174.86 2f5k s VAL 17 N 0.25 0.01 -0.03 7.11 1.01 0.44 -4.30 120.40 124.89 2f5k s VAL 17 Ca 0.57 -2.00 0.03 0.00 0.00 0.00 0.00 61.98 60.57 2f5k s VAL 17 Cb -0.35 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 2f5k s VAL 17 CO 0.36 0.00 -0.09 -0.76 0.00 0.00 0.00 175.10 174.61 2f5k s LEU 18 N -3.32 3.05 -0.04 3.92 1.43 0.84 -0.30 118.68 124.26 2f5k s LEU 18 Ca 0.40 -0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 53.33 2f5k s LEU 18 Cb 0.04 -1.71 0.02 0.00 0.03 0.00 0.00 46.19 44.56 2f5k s LEU 18 CO 0.24 0.32 0.11 0.00 0.23 0.00 0.00 176.35 177.24 2f5k s PHE 20 N 0.29 3.60 -0.25 0.00 0.40 -0.23 -0.83 117.98 120.95 2f5k s PHE 20 Ca -0.02 1.59 -0.04 0.00 -0.60 0.00 0.00 56.93 57.86 2f5k s PHE 20 Cb -0.03 -3.27 0.08 0.00 0.51 0.00 0.00 43.02 40.31 2f5k s PHE 20 CO -0.01 -0.60 0.10 -1.58 0.70 0.00 0.00 175.22 173.83 2f5k s HIS 21 N -0.12 0.56 0.00 0.36 2.46 -0.43 -4.97 115.29 113.15 2f5k s HIS 21 Ca 0.50 -0.84 0.00 0.00 0.47 0.00 0.00 55.06 55.19 2f5k s HIS 21 Cb -0.29 -0.97 0.00 0.00 -0.13 0.00 0.00 32.58 31.19 2f5k s HIS 21 CO 0.34 -0.72 0.00 0.41 -2.47 0.00 0.00 174.74 172.30 2f5k n GLY 22 N 5.18 1.28 0.34 1.59 0.00 -1.26 -3.44 105.19 108.87 2f5k n GLY 22 Ca -0.06 -0.71 0.07 0.00 0.00 0.00 0.00 46.02 45.32 2f5k n GLY 22 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2f5k n PRO 23 N 8.93 1.44 -4.33 1.61 -0.04 -1.26 -4.91 135.00 136.44 2f5k n PRO 23 Ca 0.00 -0.67 -0.23 0.00 -0.04 0.00 0.00 63.50 62.56 2f5k n PRO 23 Cb 0.00 -1.27 -0.12 0.00 -0.04 0.00 0.00 33.50 32.07 2f5k n PRO 23 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2f5k s LEU 24 N -1.33 2.39 -0.20 1.53 1.43 -1.22 -5.00 118.68 116.28 2f5k s LEU 24 Ca 0.23 -0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 2f5k s LEU 24 Cb 0.12 -0.90 -0.05 0.00 0.03 0.00 0.00 46.19 45.39 2f5k s LEU 24 CO 0.18 0.02 0.18 -0.76 0.23 0.00 0.00 176.35 176.20 2f5k s LEU 25 N -2.42 4.21 0.05 1.79 1.43 -1.26 -1.31 118.68 121.17 2f5k s LEU 25 Ca 0.14 0.29 0.08 0.00 -1.03 0.00 0.00 54.13 53.60 2f5k s LEU 25 Cb -0.07 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 2f5k s LEU 25 CO 0.06 0.14 -0.22 -0.31 0.23 0.00 0.00 176.35 176.25 2f5k s TYR 26 N 0.49 1.91 0.28 0.29 1.51 -0.01 -4.87 117.35 116.95 2f5k s TYR 26 Ca 0.10 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.48 2f5k s TYR 26 Cb -0.12 -1.13 -0.11 0.00 -0.11 0.00 0.00 41.96 40.49 2f5k s TYR 26 CO 0.00 0.11 1.57 -2.00 -1.11 0.00 0.00 175.55 174.13 2f5k s GLU 27 N -1.27 4.14 0.31 -0.62 2.12 -1.26 -0.24 118.70 121.89 2f5k s GLU 27 Ca 0.08 2.54 -0.14 0.00 0.36 0.00 0.00 54.97 57.81 2f5k s GLU 27 Cb -0.09 -3.04 0.02 0.00 0.26 0.00 0.00 34.13 31.28 2f5k s GLU 27 CO 0.02 -0.60 0.64 0.00 -0.54 0.00 0.00 175.26 174.77 2f5k s ALA 28 N 0.04 -0.51 -0.03 6.30 0.00 0.59 -2.12 121.76 126.03 2f5k s ALA 28 Ca 0.63 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.84 2f5k s ALA 28 Cb -0.47 0.90 0.00 0.00 0.00 0.00 0.00 23.12 23.56 2f5k s ALA 28 CO 0.47 -0.94 -0.09 0.15 0.00 0.00 0.00 175.76 175.35 2f5k s LYS 29 N -3.34 0.98 -0.40 0.00 3.01 -0.16 0.17 119.74 120.00 2f5k s LYS 29 Ca 0.18 -0.31 -0.29 0.00 -1.01 0.00 0.00 55.97 54.54 2f5k s LYS 29 Cb -0.03 -0.92 0.02 0.00 -1.01 0.00 0.00 37.83 35.89 2f5k s LYS 29 CO 0.11 0.12 1.21 0.00 0.51 0.00 0.00 175.35 177.29 2f5k h VAL 31 N 6.11 0.74 -3.31 0.00 2.07 -0.74 0.62 116.25 121.75 2f5k h VAL 31 Ca -0.24 -2.37 -0.19 0.00 0.82 0.00 0.00 66.70 64.72 2f5k h VAL 31 Cb 1.08 2.57 -0.27 0.00 -1.52 0.00 0.00 31.29 33.15 2f5k h VAL 31 CO 1.08 0.84 -0.52 -0.54 0.02 0.00 0.00 177.57 178.46 2f5k s LYS 32 N -2.55 0.20 -0.09 1.57 1.02 -1.14 -4.62 119.74 114.13 2f5k s LYS 32 Ca -0.21 0.25 -0.03 0.00 0.02 0.00 0.00 55.97 56.01 2f5k s LYS 32 Cb 0.06 0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 37.42 2f5k s LYS 32 CO 0.78 -0.03 0.02 0.08 -0.92 0.00 0.00 175.35 175.27 2f5k s VAL 33 N 0.16 4.44 -0.14 3.17 1.01 -1.26 -0.73 120.40 127.04 2f5k s VAL 33 Ca -0.01 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.64 2f5k s VAL 33 Cb -0.02 -2.88 0.04 0.00 0.00 0.00 0.00 36.38 33.52 2f5k s VAL 33 CO -0.00 0.60 0.39 0.00 0.00 0.00 0.00 175.10 176.09 2f5k s ALA 34 N -0.85 -0.97 -0.33 5.51 0.00 -0.62 -5.01 121.76 119.49 2f5k s ALA 34 Ca 0.13 1.09 -0.06 0.00 0.00 0.00 0.00 51.96 53.12 2f5k s ALA 34 Cb -0.11 -0.63 0.04 0.00 0.00 0.00 0.00 23.12 22.42 2f5k s ALA 34 CO 0.02 -0.19 0.09 0.42 0.00 0.00 0.00 175.76 176.10 2f5k s ILE 35 N 0.16 3.70 -0.23 0.00 1.01 -1.26 -0.45 121.20 124.14 2f5k s ILE 35 Ca -0.00 -1.10 -0.04 0.00 0.00 0.00 0.00 60.65 59.50 2f5k s ILE 35 Cb -0.03 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.36 2f5k s ILE 35 CO 0.01 -0.13 -0.02 -0.75 0.00 0.00 0.00 174.94 174.04 2f5k s LYS 36 N 1.40 3.34 -1.64 2.79 2.20 -0.52 -4.59 119.74 122.71 2f5k s LYS 36 Ca -0.02 -0.66 -0.02 0.00 -0.36 0.00 0.00 55.97 54.92 2f5k s LYS 36 Cb -0.19 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 2f5k s LYS 36 CO 0.02 -0.23 0.21 -3.47 -0.36 0.00 0.00 175.35 171.52 2f5k n ASP 37 N 4.81 -5.82 -2.60 1.43 -0.08 -1.26 -1.20 116.55 111.83 2f5k n ASP 37 Ca -0.18 -0.11 -0.20 0.00 -1.51 0.00 0.00 54.79 52.79 2f5k n ASP 37 Cb 0.50 -4.77 0.00 0.00 2.34 0.00 0.00 41.12 39.19 2f5k n ASP 37 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2f5k n LYS 38 N -3.28 -2.61 -4.53 -0.67 4.81 -1.26 -4.86 118.16 105.76 2f5k n LYS 38 Ca -0.19 0.90 -0.30 0.00 -0.87 0.00 0.00 58.31 57.84 2f5k n LYS 38 Cb 0.66 -5.61 -0.12 0.00 0.02 0.00 0.00 35.03 29.98 2f5k n LYS 38 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2f5k s GLN 39 N -5.24 2.00 -0.08 1.64 -1.52 -0.34 -1.16 119.66 114.96 2f5k s GLN 39 Ca 0.09 -1.03 -0.11 0.00 -1.95 0.00 0.00 55.36 52.35 2f5k s GLN 39 Cb -0.04 -2.18 -0.05 0.00 -0.22 0.00 0.00 33.01 30.52 2f5k s GLN 39 CO 0.11 0.52 0.28 0.08 -0.25 0.00 0.00 175.29 176.03 2f5k s VAL 40 N -1.01 5.28 0.08 1.09 1.01 -1.26 -1.44 120.40 124.15 2f5k s VAL 40 Ca 0.16 0.53 0.06 0.00 0.00 0.00 0.00 61.98 62.73 2f5k s VAL 40 Cb -0.11 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 2f5k s VAL 40 CO 0.07 0.56 -0.17 -0.54 0.00 0.00 0.00 175.10 175.02 2f5k s LYS 41 N -0.74 0.93 0.04 2.72 1.02 0.41 -2.56 119.74 121.57 2f5k s LYS 41 Ca 0.19 -1.03 0.05 0.00 0.02 0.00 0.00 55.97 55.19 2f5k s LYS 41 Cb -0.14 -1.04 -0.02 0.00 -0.52 0.00 0.00 37.83 36.11 2f5k s LYS 41 CO 0.08 0.24 -0.14 0.71 -0.92 0.00 0.00 175.35 175.31 2f5k s TYR 42 N -1.23 1.25 -0.30 3.18 1.51 0.26 -1.59 117.35 120.42 2f5k s TYR 42 Ca 0.01 -0.37 -0.11 0.00 -1.01 0.00 0.00 57.07 55.59 2f5k s TYR 42 Cb -0.10 -0.73 -0.03 0.00 -0.11 0.00 0.00 41.96 40.98 2f5k s TYR 42 CO 0.03 0.04 0.19 0.12 -1.11 0.00 0.00 175.55 174.82 2f5k s PHE 43 N -0.91 3.21 -0.10 2.71 5.36 0.09 0.12 117.98 128.46 2f5k s PHE 43 Ca 0.01 -0.08 0.01 0.00 -0.96 0.00 0.00 56.93 55.91 2f5k s PHE 43 Cb -0.08 -2.40 -0.02 0.00 -0.34 0.00 0.00 43.02 40.18 2f5k s PHE 43 CO 0.01 -0.26 -0.11 0.42 -1.46 0.00 0.00 175.22 173.82 2f5k s ILE 44 N 1.73 3.27 -0.20 3.12 -1.09 0.53 0.03 121.20 128.59 2f5k s ILE 44 Ca 0.06 -0.61 -0.04 0.00 -2.23 0.00 0.00 60.65 57.83 2f5k s ILE 44 Cb -0.16 -2.35 -0.02 0.00 -1.58 0.00 0.00 42.46 38.35 2f5k s ILE 44 CO 0.10 0.55 -0.04 -2.28 -1.23 0.00 0.00 174.94 172.05 2f5k s HIS 45 N -0.17 2.98 -0.08 3.97 5.65 -0.80 -1.72 115.29 125.11 2f5k s HIS 45 Ca 0.01 -0.66 -0.27 0.00 0.25 0.00 0.00 55.06 54.39 2f5k s HIS 45 Cb -0.13 -2.05 -0.02 0.00 -1.18 0.00 0.00 32.58 29.19 2f5k s HIS 45 CO 0.03 -0.34 0.88 0.71 -0.65 0.00 0.00 174.74 175.37 2f5k s TYR 46 N 1.06 3.55 0.11 3.88 1.51 -1.26 -0.99 117.35 125.21 2f5k s TYR 46 Ca 0.01 1.46 -0.31 0.00 -1.01 0.00 0.00 57.07 57.22 2f5k s TYR 46 Cb -0.15 -3.03 -0.10 0.00 -0.11 0.00 0.00 41.96 38.57 2f5k s TYR 46 CO 0.00 -0.09 1.74 -1.12 -1.11 0.00 0.00 175.55 174.97 2f5k s SER 47 N 1.02 6.50 0.00 2.29 0.01 -0.90 -1.10 113.70 121.51 2f5k s SER 47 Ca 0.44 2.65 0.00 0.00 1.31 0.00 0.00 55.95 60.36 2f5k s SER 47 Cb -0.18 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2f5k s SER 47 CO 0.19 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 173.51 2f5k n GLY 48 N 4.10 1.01 3.79 3.44 0.00 -1.26 -4.91 105.19 111.35 2f5k n GLY 48 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2f5k n GLY 48 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2f5k s TRP 49 N -3.01 3.20 0.63 1.61 0.52 -0.26 -5.07 118.94 116.55 2f5k s TRP 49 Ca 0.00 0.06 -0.18 0.00 0.02 0.00 0.00 56.10 55.99 2f5k s TRP 49 Cb 0.00 -1.60 -0.02 0.00 -1.15 0.00 0.00 33.47 30.70 2f5k s TRP 49 CO 0.00 0.52 1.27 1.21 0.02 0.00 0.00 176.95 179.97 2f5k s ASN 50 N -2.62 4.82 0.65 2.95 2.47 -1.26 -4.80 114.94 117.15 2f5k s ASN 50 Ca 0.30 2.55 0.41 0.00 0.42 0.00 0.00 52.86 56.53 2f5k s ASN 50 Cb -0.12 -2.61 2.27 0.00 -1.45 0.00 0.00 41.25 39.34 2f5k s ASN 50 CO 0.23 -1.85 2.34 0.11 -3.72 0.00 0.00 177.10 174.20 2f5k h LYS 51 N 0.68 0.00 0.00 0.43 1.57 -1.98 -1.04 116.57 116.24 2f5k h LYS 51 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2f5k h LYS 51 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2f5k h LYS 51 CO 0.54 0.00 0.00 -0.91 -0.57 0.00 0.00 179.45 178.51 2f5k h ASN 52 N 0.00 0.00 1.25 0.86 2.35 -2.02 -1.66 115.58 116.36 2f5k h ASN 52 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2f5k h ASN 52 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2f5k h ASN 52 CO 0.00 0.00 -0.48 -0.50 -1.65 0.00 0.00 177.43 174.80 2f5k h TRP 53 N 0.00 0.00 -3.05 1.19 4.06 -1.53 -3.47 115.95 113.14 2f5k h TRP 53 Ca 0.00 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.37 2f5k h TRP 53 Cb 0.13 0.00 0.14 0.00 -1.00 0.00 0.00 29.16 28.43 2f5k h TRP 53 CO 0.00 0.00 0.05 -0.25 -3.56 0.00 0.00 178.44 174.68 2f5k n ASP 54 N -2.50 0.78 -3.45 -3.49 8.00 -0.63 -4.89 116.55 110.36 2f5k n ASP 54 Ca 0.03 0.96 -0.11 0.00 0.71 0.00 0.00 54.79 56.38 2f5k n ASP 54 Cb 0.49 -1.32 -0.02 0.00 -0.02 0.00 0.00 41.12 40.25 2f5k n ASP 54 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2f5k s GLU 55 N -2.09 1.23 0.04 -1.24 -1.05 -0.70 -4.94 118.70 109.94 2f5k s GLU 55 Ca 0.66 -0.47 -0.25 0.00 -0.15 0.00 0.00 54.97 54.76 2f5k s GLU 55 Cb -0.53 0.56 -0.05 0.00 -0.44 0.00 0.00 34.13 33.66 2f5k s GLU 55 CO 0.55 -0.54 0.77 -1.58 0.95 0.00 0.00 175.26 175.41 2f5k s TRP 56 N -3.65 3.72 0.01 4.83 0.52 -1.26 -0.35 118.94 122.76 2f5k s TRP 56 Ca 0.02 1.47 0.01 0.00 0.02 0.00 0.00 56.10 57.62 2f5k s TRP 56 Cb -0.01 -2.83 -0.01 0.00 -1.15 0.00 0.00 33.47 29.47 2f5k s TRP 56 CO -0.11 0.25 -0.04 0.08 0.02 0.00 0.00 176.95 177.15 2f5k s VAL 57 N 0.03 0.31 0.53 4.03 1.01 0.32 -4.92 120.40 121.72 2f5k s VAL 57 Ca 0.39 -0.38 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 2f5k s VAL 57 Cb -0.20 -0.31 -0.07 0.00 0.00 0.00 0.00 36.38 35.80 2f5k s VAL 57 CO 0.23 -0.05 1.00 -2.16 0.00 0.00 0.00 175.10 174.12 2f5k s PRO 58 N -0.47 3.80 0.29 2.72 0.04 -1.26 0.89 135.00 141.01 2f5k s PRO 58 Ca -0.02 1.01 -0.03 0.00 0.04 0.00 0.00 61.00 62.00 2f5k s PRO 58 Cb -0.04 -2.11 0.60 0.00 0.04 0.00 0.00 34.50 32.99 2f5k s PRO 58 CO -0.00 -0.40 1.57 0.93 0.04 0.00 0.00 177.00 179.14 2f5k h GLU 59 N 0.80 0.01 -1.17 4.56 4.39 -1.86 -1.85 114.58 119.46 2f5k h GLU 59 Ca -0.47 -0.00 0.35 0.00 0.34 0.00 0.00 59.36 59.58 2f5k h GLU 59 Cb 1.19 -0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.73 2f5k h GLU 59 CO 0.61 0.01 0.74 0.66 -1.16 0.00 0.00 179.01 179.86 2f5k h SER 60 N 0.01 0.35 0.29 1.42 4.64 -1.92 0.16 113.55 118.49 2f5k h SER 60 Ca 0.53 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 2f5k h SER 60 Cb 0.97 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2f5k h SER 60 CO -0.95 -0.06 -0.06 0.54 -0.87 0.00 0.00 176.83 175.43 2f5k n ARG 61 N -4.69 0.80 -4.10 4.77 1.74 -0.69 -4.85 116.66 109.63 2f5k n ARG 61 Ca 0.31 -0.22 -0.35 0.00 -0.77 0.00 0.00 57.85 56.83 2f5k n ARG 61 Cb 1.15 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 31.00 2f5k n ARG 61 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2f5k s VAL 62 N -2.35 4.71 0.03 1.55 1.01 0.55 -1.07 120.40 124.82 2f5k s VAL 62 Ca 0.33 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.31 2f5k s VAL 62 Cb 0.21 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 2f5k s VAL 62 CO 0.44 0.52 -0.20 -0.76 0.00 0.00 0.00 175.10 175.09 2f5k s LEU 63 N -0.10 2.13 0.47 3.92 1.43 0.17 -4.99 118.68 121.71 2f5k s LEU 63 Ca 0.06 -0.47 -0.24 0.00 -1.03 0.00 0.00 54.13 52.45 2f5k s LEU 63 Cb -0.12 -0.99 -0.07 0.00 0.03 0.00 0.00 46.19 45.04 2f5k s LEU 63 CO 0.01 0.18 1.38 -0.75 0.23 0.00 0.00 176.35 177.41 2f5k s LYS 64 N -0.96 3.60 -1.22 1.70 2.47 -1.26 -0.11 119.74 123.96 2f5k s LYS 64 Ca 0.07 2.30 -0.17 0.00 -1.56 0.00 0.00 55.97 56.62 2f5k s LYS 64 Cb -0.08 -2.56 0.11 0.00 -1.46 0.00 0.00 37.83 33.83 2f5k s LYS 64 CO 0.01 -0.84 1.56 -0.47 0.16 0.00 0.00 175.35 175.76 2f5k s TYR 65 N -1.25 3.08 0.06 4.03 5.04 -1.26 -4.59 117.35 122.46 2f5k s TYR 65 Ca 0.63 -1.76 -0.01 0.00 -2.44 0.00 0.00 57.07 53.49 2f5k s TYR 65 Cb -0.41 -4.55 -0.04 0.00 0.35 0.00 0.00 41.96 37.31 2f5k s TYR 65 CO 0.52 -1.63 -0.01 0.14 -1.34 0.00 0.00 175.55 173.23 2f5k s VAL 66 N 3.11 0.20 0.26 3.14 -7.23 -1.26 -5.02 120.40 113.60 2f5k s VAL 66 Ca 0.48 -1.82 -0.08 0.00 -1.81 0.00 0.00 61.98 58.75 2f5k s VAL 66 Cb 0.00 -1.61 0.35 0.00 0.56 0.00 0.00 36.38 35.69 2f5k s VAL 66 CO 0.02 -0.90 1.60 0.44 -0.31 0.00 0.00 175.10 175.95 2f5k h ASP 67 N 3.09 -0.65 -0.69 4.85 3.32 -1.99 0.37 116.42 124.72 2f5k h ASP 67 Ca -0.34 0.24 0.10 0.00 0.02 0.00 0.00 57.03 57.05 2f5k h ASP 67 Cb 1.15 0.48 -0.07 0.00 0.22 0.00 0.00 39.33 41.11 2f5k h ASP 67 CO 0.65 -0.27 0.31 0.74 -1.72 0.00 0.00 179.24 178.95 2f5k h THR 68 N 0.02 0.80 0.00 0.35 2.02 -1.97 -0.60 112.91 113.54 2f5k h THR 68 Ca 0.43 -0.18 -0.19 0.00 0.77 0.00 0.00 66.41 67.24 2f5k h THR 68 Cb 0.71 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 2f5k h THR 68 CO -0.83 0.10 -0.91 0.78 0.37 0.00 0.00 175.52 175.03 2f5k h ASN 69 N 0.53 0.00 -0.71 4.18 2.35 -1.27 -2.37 115.58 118.29 2f5k h ASN 69 Ca 0.35 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.05 2f5k h ASN 69 Cb 0.41 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 2f5k h ASN 69 CO -0.30 0.91 0.24 -0.07 -1.65 0.00 0.00 177.43 176.57 2f5k h LEU 70 N 0.00 1.02 -0.92 1.61 3.38 -0.55 0.12 115.31 119.96 2f5k h LEU 70 Ca -0.01 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2f5k h LEU 70 Cb 1.70 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 42.15 2f5k h LEU 70 CO 0.12 0.94 0.36 -0.61 0.09 0.00 0.00 178.44 179.34 2f5k h GLN 71 N 1.04 1.14 -0.55 1.13 5.75 -1.09 0.19 115.11 122.71 2f5k h GLN 71 Ca 0.23 -0.17 -0.04 0.00 -0.15 0.00 0.00 58.65 58.52 2f5k h GLN 71 Cb 0.27 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 2f5k h GLN 71 CO -0.01 0.89 0.18 -0.22 -2.65 0.00 0.00 178.83 177.02 2f5k h LYS 72 N 1.13 0.86 -0.47 1.69 3.64 -0.86 -0.48 116.57 122.06 2f5k h LYS 72 Ca 0.27 -0.18 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 2f5k h LYS 72 Cb 0.14 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 31.78 2f5k h LYS 72 CO -0.03 0.77 0.16 0.37 -2.27 0.00 0.00 179.45 178.45 2f5k h GLN 73 N 0.77 0.32 -0.41 1.90 4.15 0.31 -0.13 115.11 122.02 2f5k h GLN 73 Ca 0.18 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.61 2f5k h GLN 73 Cb 0.27 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.85 2f5k h GLN 73 CO -0.01 0.21 0.20 -0.09 -1.93 0.00 0.00 178.83 177.21 2f5k h ARG 74 N 0.33 0.39 -0.43 1.69 2.43 -0.60 -1.54 114.38 116.65 2f5k h ARG 74 Ca 0.23 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.31 2f5k h ARG 74 Cb 0.24 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 2f5k h ARG 74 CO -0.24 0.26 -0.01 0.93 -1.51 0.00 0.00 179.97 179.40 2f5k h GLU 75 N 0.41 0.71 -0.06 0.20 5.08 -0.47 -1.12 114.58 119.32 2f5k h GLU 75 Ca 0.17 -0.18 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 2f5k h GLU 75 Cb 0.08 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2f5k h GLU 75 CO -0.12 0.73 -0.71 -0.07 -1.00 0.00 0.00 179.01 177.84 2f5k h LEU 76 N 0.67 0.38 -0.56 1.33 3.38 -0.62 -1.35 115.31 118.55 2f5k h LEU 76 Ca 0.13 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 2f5k h LEU 76 Cb 0.43 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2f5k h LEU 76 CO 0.02 0.97 -0.17 1.56 0.09 0.00 0.00 178.44 180.91 2f5k h GLN 77 N 0.22 0.98 -0.14 1.13 4.20 -0.84 -1.51 115.11 119.14 2f5k h GLN 77 Ca -0.02 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.29 2f5k h GLN 77 Cb 1.27 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 2f5k h GLN 77 CO 0.12 1.06 0.07 -0.22 -0.67 0.00 0.00 178.83 179.19 2f5k h LYS 78 N 0.85 0.21 -1.00 1.46 3.64 -1.14 -0.15 116.57 120.45 2f5k h LYS 78 Ca 0.12 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 2f5k h LYS 78 Cb 0.74 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.45 2f5k h LYS 78 CO 0.06 0.27 0.65 0.00 -2.27 0.00 0.00 179.45 178.15 2f5k h ALA 79 N 0.93 1.41 -0.01 5.00 0.00 -1.15 0.14 119.26 125.58 2f5k h ALA 79 Ca 0.05 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2f5k h ALA 79 Cb 0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2f5k h ALA 79 CO -0.01 0.45 -0.52 -0.91 0.00 0.00 0.00 179.25 178.26 2f5k h ASN 80 N 1.18 0.02 0.36 0.00 4.21 -1.01 -1.51 115.58 118.83 2f5k h ASN 80 Ca 0.43 -0.01 -0.16 0.00 1.21 0.00 0.00 56.30 57.77 2f5k h ASN 80 Cb 0.16 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.34 2f5k h ASN 80 CO -0.17 0.54 -0.65 1.56 -1.29 0.00 0.00 177.43 177.42 2f5k h GLN 81 N 0.02 0.27 0.00 0.81 7.50 0.53 -1.90 115.11 122.34 2f5k h GLN 81 Ca -0.00 -0.21 -0.02 0.00 0.50 0.00 0.00 58.65 58.92 2f5k h GLN 81 Cb 0.93 0.04 -0.00 0.00 0.05 0.00 0.00 27.48 28.50 2f5k h GLN 81 CO 0.07 0.83 -0.09 0.93 -1.50 0.00 0.00 178.83 179.07 2f5k h GLU 82 N 0.20 0.00 0.13 1.46 5.08 -0.48 -0.79 114.58 120.17 2f5k h GLU 82 Ca -0.01 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.04 2f5k h GLU 82 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2f5k h GLU 82 CO 0.10 0.09 -1.53 1.96 -1.00 0.00 0.00 179.01 178.64 2f5k h GLN 83 N 0.00 0.27 0.00 2.33 4.20 -1.00 -3.11 115.11 117.80 2f5k h GLN 83 Ca -0.00 -0.46 -0.05 0.00 0.06 0.00 0.00 58.65 58.20 2f5k h GLN 83 Cb 0.74 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 2f5k h GLN 83 CO 0.01 1.15 -0.24 -0.92 -0.67 0.00 0.00 178.83 178.16 2f5k h TYR 84 N 0.07 0.00 0.00 2.96 3.20 -1.15 -2.55 116.97 119.50 2f5k h TYR 84 Ca -0.24 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.55 2f5k h TYR 84 Cb 2.02 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.28 2f5k h TYR 84 CO 0.07 0.24 -0.37 0.00 -1.64 0.00 0.00 178.16 176.45 2f5k h ALA 85 N 1.76 0.84 -0.13 1.82 0.00 -1.19 -3.04 119.26 119.32 2f5k h ALA 85 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2f5k h ALA 85 Cb 0.76 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2f5k h ALA 85 CO 0.03 0.47 0.00 0.39 0.00 0.00 0.00 179.25 180.14 2f5k n GLU 86 N -3.31 2.23 -0.03 0.00 1.02 -0.98 -3.70 120.64 115.87 2f5k n GLU 86 Ca 0.01 -1.82 -0.10 0.00 -0.02 0.00 0.00 57.16 55.23 2f5k n GLU 86 Cb 0.60 -1.47 -0.14 0.00 -0.02 0.00 0.00 31.44 30.41 2f5k n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f5k n GLY 87 N 1.35 -0.94 0.00 0.62 0.00 -1.07 -3.87 105.19 101.28 2f5k n GLY 87 Ca 0.16 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.21 2f5k n GLY 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2f5k n LYS 88 N -3.05 0.17 -0.30 1.61 5.02 -1.18 -2.93 118.16 117.49 2f5k n LYS 88 Ca -0.22 0.02 0.10 0.00 -2.02 0.00 0.00 58.31 56.20 2f5k n LYS 88 Cb 1.07 -1.50 0.28 0.00 -0.02 0.00 0.00 35.03 34.86 2f5k n LYS 88 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2f5k n MET 89 N -1.41 2.46 0.00 1.97 2.81 -1.24 -5.12 117.12 116.58 2f5k n MET 89 Ca 0.10 -2.26 0.00 0.00 -1.81 0.00 0.00 57.70 53.73 2f5k n MET 89 Cb 0.29 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 2f5k n MET 89 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37