#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f5k s LYS 8 N 0.00 3.40 0.70 0.54 1.02 -1.26 -4.96 119.74 119.17 2f5k s LYS 8 Ca 0.00 0.74 -0.17 0.00 0.02 0.00 0.00 55.97 56.56 2f5k s LYS 8 Cb 0.00 -4.09 -0.07 0.00 -0.52 0.00 0.00 37.83 33.14 2f5k s LYS 8 CO 0.00 -1.80 0.29 -2.30 -0.92 0.00 0.00 175.35 170.63 2f5k n PRO 9 N 8.40 0.24 0.16 -1.68 -0.02 -1.26 -4.87 135.00 135.97 2f5k n PRO 9 Ca 0.15 0.11 0.03 0.00 -2.02 0.00 0.00 63.50 61.77 2f5k n PRO 9 Cb 0.49 -1.60 0.23 0.00 -0.02 0.00 0.00 33.50 32.60 2f5k n PRO 9 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2f5k h LYS 10 N -0.32 0.00 -6.18 -0.52 3.64 -2.00 -3.45 116.57 107.75 2f5k h LYS 10 Ca -0.45 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.36 2f5k h LYS 10 Cb 1.37 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 33.02 2f5k h LYS 10 CO 0.41 0.47 -0.79 -0.06 -2.27 0.00 0.00 179.45 177.22 2f5k s PHE 11 N -3.45 2.07 0.51 1.91 0.40 -1.26 -5.08 117.98 113.08 2f5k s PHE 11 Ca 0.01 -0.41 0.07 0.00 -0.60 0.00 0.00 56.93 55.99 2f5k s PHE 11 Cb 0.11 -0.99 0.03 0.00 0.51 0.00 0.00 43.02 42.67 2f5k s PHE 11 CO 0.72 0.48 0.44 -0.65 0.70 0.00 0.00 175.22 176.90 2f5k s GLN 12 N -3.00 2.33 0.28 0.44 -0.21 -1.26 -5.00 119.66 113.24 2f5k s GLN 12 Ca 0.21 -1.84 -0.28 0.00 0.02 0.00 0.00 55.36 53.47 2f5k s GLN 12 Cb -0.06 -2.23 -0.09 0.00 1.00 0.00 0.00 33.01 31.62 2f5k s GLN 12 CO 0.10 -0.52 0.95 -1.21 -2.12 0.00 0.00 175.29 172.48 2f5k s GLU 13 N -4.28 4.72 0.00 2.91 2.02 -1.26 -3.17 118.70 119.64 2f5k s GLU 13 Ca 0.41 1.44 0.00 0.00 0.02 0.00 0.00 54.97 56.84 2f5k s GLU 13 Cb -0.03 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.14 2f5k s GLU 13 CO 0.25 0.39 0.00 0.41 0.02 0.00 0.00 175.26 176.34 2f5k n GLY 14 N 1.08 0.50 3.76 -1.39 0.00 0.38 -5.01 105.19 104.51 2f5k n GLY 14 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.40 4.69 0.02 1.61 2.12 -1.19 -4.75 118.70 120.80 2f5k s GLU 15 Ca 0.00 1.71 -0.30 0.00 0.36 0.00 0.00 54.97 56.73 2f5k s GLU 15 Cb 0.00 -3.20 -0.05 0.00 0.26 0.00 0.00 34.13 31.15 2f5k s GLU 15 CO 0.00 0.29 1.16 0.50 -0.54 0.00 0.00 175.26 176.67 2f5k s ARG 16 N -1.40 4.44 0.35 4.30 3.52 -1.26 -1.66 118.95 127.24 2f5k s ARG 16 Ca 0.44 1.68 0.07 0.00 -0.13 0.00 0.00 55.73 57.78 2f5k s ARG 16 Cb -0.30 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.65 2f5k s ARG 16 CO 0.38 -0.26 0.25 0.08 -0.81 0.00 0.00 175.30 174.94 2f5k s VAL 17 N 1.30 0.12 -0.06 7.11 1.01 0.34 -4.18 120.40 126.05 2f5k s VAL 17 Ca 0.57 -2.00 0.05 0.00 0.00 0.00 0.00 61.98 60.60 2f5k s VAL 17 Cb -0.27 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 2f5k s VAL 17 CO 0.27 0.00 -0.21 -0.76 0.00 0.00 0.00 175.10 174.40 2f5k s LEU 18 N -3.43 2.29 -0.02 3.92 1.43 -0.74 -0.31 118.68 121.81 2f5k s LEU 18 Ca 0.36 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 2f5k s LEU 18 Cb 0.02 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 44.82 2f5k s LEU 18 CO 0.25 0.27 -0.02 0.00 0.23 0.00 0.00 176.35 177.08 2f5k s PHE 20 N 0.68 3.01 -0.24 0.00 0.40 0.10 -0.79 117.98 121.14 2f5k s PHE 20 Ca -0.07 1.52 -0.03 0.00 -0.60 0.00 0.00 56.93 57.75 2f5k s PHE 20 Cb -0.10 -3.46 0.13 0.00 0.51 0.00 0.00 43.02 40.10 2f5k s PHE 20 CO -0.01 -1.50 0.38 -1.58 0.70 0.00 0.00 175.22 173.22 2f5k s HIS 21 N -1.38 -0.84 0.00 0.36 2.46 -0.40 -4.94 115.29 110.55 2f5k s HIS 21 Ca 0.57 0.87 0.00 0.00 0.47 0.00 0.00 55.06 56.97 2f5k s HIS 21 Cb -0.32 0.04 0.00 0.00 -0.13 0.00 0.00 32.58 32.16 2f5k s HIS 21 CO 0.41 -0.71 0.00 0.41 -2.47 0.00 0.00 174.74 172.38 2f5k n GLY 22 N 5.37 1.99 0.50 1.59 0.00 -1.26 -3.01 105.19 110.37 2f5k n GLY 22 Ca -0.04 -0.57 0.04 0.00 0.00 0.00 0.00 46.02 45.45 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 12.41 1.64 -4.31 1.61 -0.04 -1.26 -4.94 135.00 140.10 2f5k n PRO 23 Ca 0.00 -0.91 -0.18 0.00 -0.04 0.00 0.00 63.50 62.37 2f5k n PRO 23 Cb 0.00 -1.24 -0.10 0.00 -0.04 0.00 0.00 33.50 32.12 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 -0.99 2.51 -0.15 1.53 1.43 -1.16 -4.82 118.68 117.02 2f5k s LEU 24 Ca 0.17 -0.96 -0.07 0.00 -1.03 0.00 0.00 54.13 52.23 2f5k s LEU 24 Cb 0.09 -0.63 -0.04 0.00 0.03 0.00 0.00 46.19 45.64 2f5k s LEU 24 CO 0.11 -0.17 0.10 -0.76 0.23 0.00 0.00 176.35 175.86 2f5k s LEU 25 N -3.07 4.11 -0.00 1.79 1.43 -1.26 -1.28 118.68 120.40 2f5k s LEU 25 Ca 0.19 0.28 0.06 0.00 -1.03 0.00 0.00 54.13 53.62 2f5k s LEU 25 Cb -0.02 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 2f5k s LEU 25 CO 0.05 0.29 -0.18 -0.31 0.23 0.00 0.00 176.35 176.43 2f5k s TYR 26 N -0.34 1.62 0.23 0.29 1.51 0.03 -4.89 117.35 115.79 2f5k s TYR 26 Ca 0.10 -0.32 -0.31 0.00 -1.01 0.00 0.00 57.07 55.54 2f5k s TYR 26 Cb -0.12 -1.03 -0.10 0.00 -0.11 0.00 0.00 41.96 40.60 2f5k s TYR 26 CO 0.01 -0.01 1.54 -2.00 -1.11 0.00 0.00 175.55 173.98 2f5k s GLU 27 N -0.57 4.21 0.18 -0.62 2.12 -1.26 -1.03 118.70 121.73 2f5k s GLU 27 Ca 0.07 2.40 -0.12 0.00 0.36 0.00 0.00 54.97 57.68 2f5k s GLU 27 Cb -0.07 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.22 2f5k s GLU 27 CO -0.00 -0.55 0.37 0.00 -0.54 0.00 0.00 175.26 174.53 2f5k s ALA 28 N 0.46 -0.27 -0.13 6.30 0.00 0.57 -1.56 121.76 127.13 2f5k s ALA 28 Ca 0.65 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.92 2f5k s ALA 28 Cb -0.44 0.88 -0.00 0.00 0.00 0.00 0.00 23.12 23.55 2f5k s ALA 28 CO 0.39 -0.71 -0.19 0.21 0.00 0.00 0.00 175.76 175.47 2f5k s LYS 29 N -3.95 3.17 -0.73 0.00 2.47 -1.26 0.13 119.74 119.57 2f5k s LYS 29 Ca 0.15 -0.79 -0.27 0.00 -1.56 0.00 0.00 55.97 53.50 2f5k s LYS 29 Cb 0.02 -2.50 0.03 0.00 -1.46 0.00 0.00 37.83 33.92 2f5k s LYS 29 CO 0.00 0.10 1.26 0.00 0.16 0.00 0.00 175.35 176.87 2f5k h VAL 31 N 6.04 0.48 -4.08 0.00 2.07 -0.91 1.11 116.25 120.94 2f5k h VAL 31 Ca -0.28 -1.04 -0.44 0.00 0.82 0.00 0.00 66.70 65.77 2f5k h VAL 31 Cb 1.05 0.83 -0.27 0.00 -1.52 0.00 0.00 31.29 31.38 2f5k h VAL 31 CO 1.27 0.13 -0.79 -0.54 0.02 0.00 0.00 177.57 177.66 2f5k s LYS 32 N -2.88 0.94 -0.21 1.57 1.02 -1.20 -4.11 119.74 114.88 2f5k s LYS 32 Ca -0.09 -0.60 -0.02 0.00 0.02 0.00 0.00 55.97 55.27 2f5k s LYS 32 Cb 0.00 -0.92 0.00 0.00 -0.52 0.00 0.00 37.83 36.39 2f5k s LYS 32 CO 0.31 0.24 -0.09 0.08 -0.92 0.00 0.00 175.35 174.97 2f5k s VAL 33 N -0.60 2.98 -0.08 3.17 1.01 -1.26 -0.57 120.40 125.05 2f5k s VAL 33 Ca 0.03 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.40 2f5k s VAL 33 Cb -0.06 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 34.00 2f5k s VAL 33 CO 0.00 0.46 -0.12 0.00 0.00 0.00 0.00 175.10 175.44 2f5k s ALA 34 N 1.42 1.30 -1.23 5.51 0.00 -0.99 -5.03 121.76 122.75 2f5k s ALA 34 Ca 0.05 -0.46 -0.11 0.00 0.00 0.00 0.00 51.96 51.45 2f5k s ALA 34 Cb -0.14 -0.64 0.19 0.00 0.00 0.00 0.00 23.12 22.53 2f5k s ALA 34 CO -0.06 0.02 1.61 -0.89 0.00 0.00 0.00 175.76 176.44 2f5k n ILE 35 N 4.01 4.39 -0.34 0.00 5.41 -1.26 -0.98 119.36 130.59 2f5k n ILE 35 Ca -0.21 -4.71 -0.01 0.00 1.00 0.00 0.00 62.75 58.81 2f5k n ILE 35 Cb 0.51 -2.40 0.01 0.00 -0.71 0.00 0.00 39.64 37.06 2f5k n ILE 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2f5k n LYS 36 N 4.42 -1.49 0.00 0.38 4.81 -0.89 -4.82 118.16 120.57 2f5k n LYS 36 Ca 0.37 -0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 2f5k n LYS 36 Cb 0.39 -0.08 0.00 0.00 0.02 0.00 0.00 35.03 35.36 2f5k n LYS 36 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2f5k n ASP 37 N -3.11 0.00 -0.04 3.14 8.00 -1.26 -3.43 116.55 119.85 2f5k n ASP 37 Ca 0.01 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 2f5k n ASP 37 Cb 0.03 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 2f5k n ASP 37 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2f5k n LYS 38 N -0.03 0.19 -3.37 -1.24 4.81 -1.26 -5.08 118.16 112.17 2f5k n LYS 38 Ca 0.00 0.06 -0.21 0.00 -0.87 0.00 0.00 58.31 57.29 2f5k n LYS 38 Cb 0.00 -0.96 0.01 0.00 0.02 0.00 0.00 35.03 34.10 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 -2.16 2.43 -0.06 1.64 -0.21 -1.22 -4.81 119.66 115.27 2f5k s GLN 39 Ca -0.11 -1.65 -0.09 0.00 0.02 0.00 0.00 55.36 53.53 2f5k s GLN 39 Cb 0.04 -2.46 -0.05 0.00 1.00 0.00 0.00 33.01 31.54 2f5k s GLN 39 CO 0.16 -0.55 0.23 0.08 -2.12 0.00 0.00 175.29 173.10 2f5k s VAL 40 N -2.60 5.35 0.25 1.09 1.01 -1.26 -2.10 120.40 122.14 2f5k s VAL 40 Ca 0.50 0.34 0.08 0.00 0.00 0.00 0.00 61.98 62.90 2f5k s VAL 40 Cb -0.05 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 2f5k s VAL 40 CO 0.31 0.55 -0.10 -0.54 0.00 0.00 0.00 175.10 175.32 2f5k s LYS 41 N -1.21 1.49 -0.02 2.72 1.02 -0.15 -3.74 119.74 119.85 2f5k s LYS 41 Ca 0.20 -1.72 0.03 0.00 0.02 0.00 0.00 55.97 54.50 2f5k s LYS 41 Cb -0.13 -1.21 -0.00 0.00 -0.52 0.00 0.00 37.83 35.97 2f5k s LYS 41 CO 0.09 0.12 -0.11 0.71 -0.92 0.00 0.00 175.35 175.24 2f5k s TYR 42 N -2.95 1.06 -0.32 3.18 1.51 0.71 -2.33 117.35 118.20 2f5k s TYR 42 Ca 0.27 -0.25 -0.21 0.00 -1.01 0.00 0.00 57.07 55.87 2f5k s TYR 42 Cb 0.01 -0.72 -0.00 0.00 -0.11 0.00 0.00 41.96 41.14 2f5k s TYR 42 CO 0.10 -0.07 0.68 0.12 -1.11 0.00 0.00 175.55 175.27 2f5k s PHE 43 N -0.01 3.18 -0.16 2.71 5.36 0.26 -0.06 117.98 129.27 2f5k s PHE 43 Ca -0.00 0.56 -0.06 0.00 -0.96 0.00 0.00 56.93 56.47 2f5k s PHE 43 Cb -0.07 -3.11 -0.04 0.00 -0.34 0.00 0.00 43.02 39.46 2f5k s PHE 43 CO 0.00 -0.56 0.03 0.42 -1.46 0.00 0.00 175.22 173.65 2f5k s ILE 44 N 2.75 4.49 -0.16 3.12 -1.09 -0.03 -0.19 121.20 130.09 2f5k s ILE 44 Ca 0.27 -0.15 -0.13 0.00 -2.23 0.00 0.00 60.65 58.41 2f5k s ILE 44 Cb -0.14 -2.99 -0.09 0.00 -1.58 0.00 0.00 42.46 37.66 2f5k s ILE 44 CO 0.13 0.50 -0.01 -0.74 -1.23 0.00 0.00 174.94 173.59 2f5k h HIS 45 N 6.43 0.00 -0.91 3.97 -0.00 -1.65 -2.74 115.15 120.24 2f5k h HIS 45 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.99 2f5k h HIS 45 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 2f5k h HIS 45 CO 0.57 0.53 0.00 0.66 -0.00 0.00 0.00 177.93 179.69 2f5k n TYR 46 N -4.57 0.00 -1.66 5.26 4.02 -1.26 -4.41 117.16 114.55 2f5k n TYR 46 Ca -0.15 0.00 -0.54 0.00 -0.01 0.00 0.00 57.90 57.19 2f5k n TYR 46 Cb 0.39 -0.46 -0.06 0.00 -0.02 0.00 0.00 39.34 39.19 2f5k n TYR 46 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2f5k n SER 47 N 0.00 2.17 0.00 7.72 7.64 -0.60 -0.81 113.62 129.75 2f5k n SER 47 Ca 0.00 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.97 2f5k n SER 47 Cb 0.00 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.02 2f5k n SER 47 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2f5k n GLY 48 N 3.51 0.63 3.91 0.23 0.00 -1.26 -4.93 105.19 107.27 2f5k n GLY 48 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.67 3.50 0.52 1.61 0.52 0.01 -5.07 118.94 117.36 2f5k s TRP 49 Ca 0.00 0.42 -0.22 0.00 0.02 0.00 0.00 56.10 56.32 2f5k s TRP 49 Cb 0.00 -1.89 -0.06 0.00 -1.15 0.00 0.00 33.47 30.37 2f5k s TRP 49 CO 0.00 0.52 1.30 -0.80 0.02 0.00 0.00 176.95 177.99 2f5k s ASN 50 N -2.41 5.53 0.26 2.95 0.01 -1.26 -4.88 114.94 115.14 2f5k s ASN 50 Ca 0.37 2.62 0.13 0.00 -0.71 0.00 0.00 52.86 55.27 2f5k s ASN 50 Cb -0.13 -2.63 0.70 0.00 0.41 0.00 0.00 41.25 39.61 2f5k s ASN 50 CO 0.25 -1.38 1.32 0.29 -1.51 0.00 0.00 177.10 176.07 2f5k n LYS 51 N -0.88 0.09 0.00 -0.60 5.02 -1.26 -2.52 118.16 118.01 2f5k n LYS 51 Ca 0.09 0.55 0.14 0.00 -2.02 0.00 0.00 58.31 57.07 2f5k n LYS 51 Cb 0.46 -1.96 0.58 0.00 -0.02 0.00 0.00 35.03 34.09 2f5k n LYS 51 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2f5k n ASN 52 N -1.97 0.99 -0.30 4.39 4.13 -1.26 -2.86 115.26 118.38 2f5k n ASN 52 Ca -0.01 -1.15 0.13 0.00 1.68 0.00 0.00 54.58 55.23 2f5k n ASN 52 Cb 0.20 0.01 0.40 0.00 -1.54 0.00 0.00 39.78 38.85 2f5k n ASN 52 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 2f5k n TRP 53 N -0.36 0.00 -1.79 3.10 7.02 -1.05 -4.89 117.44 119.48 2f5k n TRP 53 Ca 0.18 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.27 2f5k n TRP 53 Cb 0.30 -0.10 0.03 0.00 -2.42 0.00 0.00 31.31 29.12 2f5k n TRP 53 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2f5k s ASP 54 N -2.40 5.60 0.06 -0.99 1.11 -1.14 -4.96 116.67 113.95 2f5k s ASP 54 Ca 0.27 2.86 -0.24 0.00 0.18 0.00 0.00 52.55 55.62 2f5k s ASP 54 Cb 0.20 -2.65 0.06 0.00 1.07 0.00 0.00 42.92 41.60 2f5k s ASP 54 CO 0.48 -1.36 0.56 -1.83 1.18 0.00 0.00 175.17 174.21 2f5k s GLU 55 N -2.65 1.10 0.08 8.23 -1.05 -1.03 -4.97 118.70 118.40 2f5k s GLU 55 Ca 0.66 -0.23 -0.29 0.00 -0.15 0.00 0.00 54.97 54.96 2f5k s GLU 55 Cb -0.42 0.50 -0.05 0.00 -0.44 0.00 0.00 34.13 33.72 2f5k s GLU 55 CO 0.53 -0.41 0.93 -1.58 0.95 0.00 0.00 175.26 175.68 2f5k s TRP 56 N -2.60 3.77 0.02 4.83 0.52 -1.26 -0.85 118.94 123.38 2f5k s TRP 56 Ca -0.04 1.73 0.01 0.00 0.02 0.00 0.00 56.10 57.81 2f5k s TRP 56 Cb -0.01 -3.03 -0.02 0.00 -1.15 0.00 0.00 33.47 29.27 2f5k s TRP 56 CO -0.03 0.18 -0.04 0.54 0.02 0.00 0.00 176.95 177.62 2f5k s VAL 57 N 0.17 0.26 0.96 4.03 0.11 0.92 -4.93 120.40 121.91 2f5k s VAL 57 Ca 0.46 -0.69 -0.12 0.00 -2.93 0.00 0.00 61.98 58.71 2f5k s VAL 57 Cb -0.22 -0.33 0.17 0.00 -1.53 0.00 0.00 36.38 34.47 2f5k s VAL 57 CO 0.28 -0.28 1.09 -2.16 -3.33 0.00 0.00 175.10 170.70 2f5k s PRO 58 N -1.02 0.72 0.31 1.54 0.04 -1.26 -0.21 135.00 135.11 2f5k s PRO 58 Ca -0.09 0.73 0.03 0.00 0.04 0.00 0.00 61.00 61.71 2f5k s PRO 58 Cb -0.07 -1.75 0.61 0.00 0.04 0.00 0.00 34.50 33.33 2f5k s PRO 58 CO -0.00 -2.59 1.88 0.93 0.04 0.00 0.00 177.00 177.26 2f5k h GLU 59 N -1.80 0.90 0.00 4.56 5.08 -1.94 -2.64 114.58 118.74 2f5k h GLU 59 Ca -0.52 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 2f5k h GLU 59 Cb 1.31 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2f5k h GLU 59 CO 0.55 0.60 0.00 0.66 -1.00 0.00 0.00 179.01 179.82 2f5k h SER 60 N 0.93 0.00 0.18 1.42 4.64 -1.93 -1.59 113.55 117.20 2f5k h SER 60 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 2f5k h SER 60 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2f5k h SER 60 CO -0.20 0.00 -0.06 0.54 -0.87 0.00 0.00 176.83 176.24 2f5k n ARG 61 N -2.88 1.01 -4.90 4.77 1.74 -0.99 -4.84 116.66 110.56 2f5k n ARG 61 Ca -0.01 -0.36 -0.31 0.00 -0.77 0.00 0.00 57.85 56.40 2f5k n ARG 61 Cb 0.15 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 29.96 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 -2.24 2.55 0.14 1.55 1.01 -0.60 0.03 120.40 122.85 2f5k s VAL 62 Ca 0.36 -1.11 0.05 0.00 0.00 0.00 0.00 61.98 61.27 2f5k s VAL 62 Cb 0.21 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2f5k s VAL 62 CO 0.41 0.45 -0.11 -0.76 0.00 0.00 0.00 175.10 175.09 2f5k s LEU 63 N -1.07 2.48 0.44 3.92 1.43 0.12 -4.99 118.68 121.01 2f5k s LEU 63 Ca 0.12 -0.93 -0.24 0.00 -1.03 0.00 0.00 54.13 52.05 2f5k s LEU 63 Cb -0.10 -0.42 -0.08 0.00 0.03 0.00 0.00 46.19 45.62 2f5k s LEU 63 CO 0.02 -0.26 1.26 -0.75 0.23 0.00 0.00 176.35 176.86 2f5k s LYS 64 N -3.31 3.77 -1.33 1.70 2.47 -1.26 -1.79 119.74 119.99 2f5k s LYS 64 Ca 0.13 2.04 -0.16 0.00 -1.56 0.00 0.00 55.97 56.42 2f5k s LYS 64 Cb -0.00 -2.57 0.07 0.00 -1.46 0.00 0.00 37.83 33.87 2f5k s LYS 64 CO 0.02 -0.62 1.84 0.98 0.16 0.00 0.00 175.35 177.73 2f5k n TYR 65 N -0.24 4.36 -4.09 4.03 9.36 -1.26 -4.63 117.16 124.68 2f5k n TYR 65 Ca 0.06 -2.92 -0.12 0.00 3.32 0.00 0.00 57.90 58.24 2f5k n TYR 65 Cb 0.45 -2.56 -0.11 0.00 -0.63 0.00 0.00 39.34 36.50 2f5k n TYR 65 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2f5k s VAL 66 N 3.61 0.56 0.21 2.97 0.11 -1.26 -5.03 120.40 121.57 2f5k s VAL 66 Ca 0.51 -1.37 -0.22 0.00 -2.93 0.00 0.00 61.98 57.97 2f5k s VAL 66 Cb 0.06 -0.97 0.14 0.00 -1.53 0.00 0.00 36.38 34.08 2f5k s VAL 66 CO 0.03 -0.57 1.55 0.44 -3.33 0.00 0.00 175.10 173.22 2f5k h ASP 67 N 3.97 -1.64 -0.91 3.54 3.32 -1.98 0.36 116.42 123.07 2f5k h ASP 67 Ca -0.35 0.31 0.17 0.00 0.02 0.00 0.00 57.03 57.18 2f5k h ASP 67 Cb 1.19 0.81 -0.17 0.00 0.22 0.00 0.00 39.33 41.37 2f5k h ASP 67 CO 0.49 -0.28 -0.26 0.74 -1.72 0.00 0.00 179.24 178.21 2f5k h THR 68 N -0.02 0.07 -0.00 0.35 2.02 -1.97 0.24 112.91 113.60 2f5k h THR 68 Ca 0.28 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.29 2f5k h THR 68 Cb 0.54 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 2f5k h THR 68 CO -0.95 0.00 -0.79 0.78 0.37 0.00 0.00 175.52 174.93 2f5k h ASN 69 N -0.01 0.03 -0.29 4.18 -0.26 -0.68 -2.21 115.58 116.33 2f5k h ASN 69 Ca 0.42 -0.02 -0.13 0.00 -0.56 0.00 0.00 56.30 56.00 2f5k h ASN 69 Cb 0.65 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.89 2f5k h ASN 69 CO -0.94 0.80 -0.29 -0.07 -1.06 0.00 0.00 177.43 175.88 2f5k h LEU 70 N 0.01 0.82 -0.67 1.61 3.38 0.11 0.14 115.31 120.72 2f5k h LEU 70 Ca -0.01 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 2f5k h LEU 70 Cb 1.39 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 2f5k h LEU 70 CO 0.10 1.06 0.08 -0.61 0.09 0.00 0.00 178.44 179.16 2f5k h GLN 71 N 0.68 1.11 -0.64 1.13 5.75 -0.46 -2.41 115.11 120.26 2f5k h GLN 71 Ca 0.08 -0.31 -0.01 0.00 -0.15 0.00 0.00 58.65 58.26 2f5k h GLN 71 Cb 0.82 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.22 2f5k h GLN 71 CO 0.07 1.03 0.38 -0.22 -2.65 0.00 0.00 178.83 177.44 2f5k h LYS 72 N 1.03 0.88 -0.49 1.69 3.64 -1.13 -0.79 116.57 121.40 2f5k h LYS 72 Ca 0.20 -0.08 0.08 0.00 -1.27 0.00 0.00 60.65 59.57 2f5k h LYS 72 Cb 0.47 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 2f5k h LYS 72 CO 0.02 0.64 0.13 0.37 -2.27 0.00 0.00 179.45 178.33 2f5k h GLN 73 N 0.87 0.27 -0.34 1.90 4.15 -0.73 0.35 115.11 121.58 2f5k h GLN 73 Ca 0.23 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.65 2f5k h GLN 73 Cb -0.01 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 2f5k h GLN 73 CO -0.04 0.18 0.20 0.00 -1.93 0.00 0.00 178.83 177.24 2f5k h ARG 74 N 0.27 0.40 -0.70 1.69 3.08 -0.91 -1.94 114.38 116.27 2f5k h ARG 74 Ca 0.24 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 2f5k h ARG 74 Cb 0.31 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 2f5k h ARG 74 CO -0.29 0.27 0.34 0.93 -1.07 0.00 0.00 179.97 180.14 2f5k h GLU 75 N 0.41 0.99 -0.30 0.04 5.08 -0.54 -0.87 114.58 119.39 2f5k h GLU 75 Ca 0.13 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 2f5k h GLU 75 Cb -0.01 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 2f5k h GLU 75 CO -0.06 0.76 -0.42 -0.07 -1.00 0.00 0.00 179.01 178.23 2f5k h LEU 76 N 0.99 0.81 -0.55 1.33 3.38 -0.55 0.18 115.31 120.90 2f5k h LEU 76 Ca 0.24 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.88 2f5k h LEU 76 Cb 0.10 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2f5k h LEU 76 CO -0.03 1.12 0.30 1.56 0.09 0.00 0.00 178.44 181.48 2f5k h GLN 77 N 0.61 0.57 -0.15 1.13 4.20 -1.05 0.63 115.11 121.06 2f5k h GLN 77 Ca 0.05 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 2f5k h GLN 77 Cb 0.97 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 2f5k h GLN 77 CO 0.09 0.38 0.02 -0.22 -0.67 0.00 0.00 178.83 178.43 2f5k h LYS 78 N 0.59 0.25 -0.82 1.46 3.64 -0.72 0.46 116.57 121.43 2f5k h LYS 78 Ca 0.24 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2f5k h LYS 78 Cb 0.10 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 2f5k h LYS 78 CO -0.14 0.43 0.48 0.00 -2.27 0.00 0.00 179.45 177.95 2f5k h ALA 79 N 0.81 1.04 -0.36 5.00 0.00 -0.38 0.33 119.26 125.70 2f5k h ALA 79 Ca 0.04 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2f5k h ALA 79 Cb 0.30 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2f5k h ALA 79 CO 0.00 0.52 -0.21 -0.97 0.00 0.00 0.00 179.25 178.59 2f5k h ASN 80 N 1.12 0.72 0.33 0.00 -1.24 -0.69 -1.78 115.58 114.04 2f5k h ASN 80 Ca 0.29 -0.25 -0.07 0.00 0.71 0.00 0.00 56.30 56.98 2f5k h ASN 80 Cb -0.02 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.82 2f5k h ASN 80 CO -0.05 0.92 -0.32 1.56 -1.29 0.00 0.00 177.43 178.24 2f5k h GLN 81 N 0.62 0.00 0.00 6.67 4.20 0.47 -2.09 115.11 124.98 2f5k h GLN 81 Ca 0.09 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 2f5k h GLN 81 Cb 0.70 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 2f5k h GLN 81 CO 0.05 0.32 -0.04 1.49 -0.67 0.00 0.00 178.83 179.99 2f5k h GLU 82 N 0.00 0.00 0.09 1.46 4.81 -0.33 -3.24 114.58 117.37 2f5k h GLU 82 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2f5k h GLU 82 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2f5k h GLU 82 CO 0.04 0.04 -0.04 1.96 -0.73 0.00 0.00 179.01 180.28 2f5k h GLN 83 N 0.00 -0.12 -0.63 1.92 4.20 -0.66 -3.36 115.11 116.46 2f5k h GLN 83 Ca -0.00 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.78 2f5k h GLN 83 Cb 0.88 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.61 2f5k h GLN 83 CO 0.01 0.40 -0.39 1.88 -0.67 0.00 0.00 178.83 180.06 2f5k h TYR 84 N -0.86 -1.25 -2.76 2.96 0.99 -1.51 -3.05 116.97 111.49 2f5k h TYR 84 Ca -0.01 0.08 -0.61 0.00 2.00 0.00 0.00 58.73 60.19 2f5k h TYR 84 Cb 0.58 0.63 -0.13 0.00 1.00 0.00 0.00 36.73 38.81 2f5k h TYR 84 CO 0.12 -0.25 0.64 0.00 -0.00 0.00 0.00 178.16 178.67 2f5k s ALA 85 N -4.99 3.07 -0.27 3.88 0.00 -1.23 -5.15 121.76 117.06 2f5k s ALA 85 Ca -0.08 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.29 2f5k s ALA 85 Cb 0.07 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.30 2f5k s ALA 85 CO 0.41 -2.75 0.07 -1.91 0.00 0.00 0.00 175.76 171.58