#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f5k n PRO 7 N 0.00 -3.03 -3.30 -0.24 -0.04 -1.26 -4.65 135.00 122.48 2f5k n PRO 7 Ca 0.00 -1.19 -0.17 0.00 -0.04 0.00 0.00 63.50 62.09 2f5k n PRO 7 Cb 0.00 -1.23 0.01 0.00 -0.04 0.00 0.00 33.50 32.24 2f5k n PRO 7 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2f5k n LYS 8 N -4.17 -1.78 -1.12 0.54 5.02 -1.26 -4.97 118.16 110.42 2f5k n LYS 8 Ca 0.11 1.45 -0.31 0.00 -2.02 0.00 0.00 58.31 57.54 2f5k n LYS 8 Cb 0.43 -4.00 0.12 0.00 -0.02 0.00 0.00 35.03 31.55 2f5k n LYS 8 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2f5k s PRO 9 N -3.27 1.75 0.29 1.97 0.04 -1.26 -4.95 135.00 129.56 2f5k s PRO 9 Ca 0.15 1.17 0.13 0.00 0.04 0.00 0.00 61.00 62.49 2f5k s PRO 9 Cb -0.03 -1.84 0.38 0.00 0.04 0.00 0.00 34.50 33.06 2f5k s PRO 9 CO 0.82 -2.00 1.61 -0.22 0.04 0.00 0.00 177.00 177.25 2f5k h LYS 10 N -1.39 0.00 -5.42 4.56 3.64 -1.99 -3.45 116.57 112.52 2f5k h LYS 10 Ca -0.45 0.00 -0.42 0.00 -1.27 0.00 0.00 60.65 58.51 2f5k h LYS 10 Cb 1.25 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.93 2f5k h LYS 10 CO 0.50 0.58 -0.72 -0.06 -2.27 0.00 0.00 179.45 177.47 2f5k s PHE 11 N -3.50 1.60 0.17 1.91 0.40 -1.26 -5.08 117.98 112.23 2f5k s PHE 11 Ca -0.00 -0.64 0.10 0.00 -0.60 0.00 0.00 56.93 55.79 2f5k s PHE 11 Cb 0.12 -0.77 -0.04 0.00 0.51 0.00 0.00 43.02 42.83 2f5k s PHE 11 CO 0.74 0.27 -0.22 1.14 0.70 0.00 0.00 175.22 177.86 2f5k s GLN 12 N -3.68 1.40 0.31 0.44 -2.07 -1.26 -5.02 119.66 109.78 2f5k s GLN 12 Ca 0.22 -1.45 -0.28 0.00 -1.82 0.00 0.00 55.36 52.03 2f5k s GLN 12 Cb 0.01 -1.65 -0.13 0.00 -1.09 0.00 0.00 33.01 30.14 2f5k s GLN 12 CO 0.06 0.36 1.02 0.39 -1.32 0.00 0.00 175.29 175.79 2f5k n GLU 13 N 0.39 1.40 -0.37 9.60 1.02 -1.26 -1.31 120.64 130.11 2f5k n GLU 13 Ca -0.14 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 2f5k n GLU 13 Cb 0.56 -1.90 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 2f5k n GLU 13 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f5k n GLY 14 N 1.19 2.02 3.73 0.62 0.00 0.50 -5.00 105.19 108.25 2f5k n GLY 14 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.04 4.45 -0.13 1.61 2.12 -0.43 -4.71 118.70 121.58 2f5k s GLU 15 Ca 0.00 1.91 -0.29 0.00 0.36 0.00 0.00 54.97 56.95 2f5k s GLU 15 Cb 0.00 -3.24 -0.01 0.00 0.26 0.00 0.00 34.13 31.13 2f5k s GLU 15 CO 0.00 -0.16 1.08 0.50 -0.54 0.00 0.00 175.26 176.13 2f5k s ARG 16 N 0.03 4.36 0.38 4.30 3.52 -1.26 -0.44 118.95 129.84 2f5k s ARG 16 Ca 0.55 1.47 0.04 0.00 -0.13 0.00 0.00 55.73 57.66 2f5k s ARG 16 Cb -0.33 -3.58 -0.03 0.00 -1.56 0.00 0.00 34.95 29.45 2f5k s ARG 16 CO 0.36 -0.44 0.16 0.14 -0.81 0.00 0.00 175.30 174.70 2f5k s VAL 17 N 2.43 0.48 -0.13 7.11 -7.23 0.13 -4.26 120.40 118.92 2f5k s VAL 17 Ca 0.49 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.65 2f5k s VAL 17 Cb -0.19 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 2f5k s VAL 17 CO 0.16 0.00 -0.09 -0.76 -0.31 0.00 0.00 175.10 174.10 2f5k s LEU 18 N -3.54 2.97 -0.06 1.32 1.43 0.54 0.14 118.68 121.48 2f5k s LEU 18 Ca 0.28 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 2f5k s LEU 18 Cb 0.03 -1.68 0.02 0.00 0.03 0.00 0.00 46.19 44.58 2f5k s LEU 18 CO 0.17 0.19 -0.10 0.00 0.23 0.00 0.00 176.35 176.84 2f5k s PHE 20 N 0.81 2.97 -0.26 0.00 0.40 0.69 -1.08 117.98 121.51 2f5k s PHE 20 Ca -0.12 1.49 -0.01 0.00 -0.60 0.00 0.00 56.93 57.69 2f5k s PHE 20 Cb -0.15 -3.52 0.14 0.00 0.51 0.00 0.00 43.02 39.99 2f5k s PHE 20 CO 0.02 -1.66 0.36 -1.58 0.70 0.00 0.00 175.22 173.05 2f5k s HIS 21 N -1.33 -0.76 0.00 0.36 2.46 -0.63 -4.95 115.29 110.44 2f5k s HIS 21 Ca 0.56 0.49 0.00 0.00 0.47 0.00 0.00 55.06 56.59 2f5k s HIS 21 Cb -0.34 -0.14 0.00 0.00 -0.13 0.00 0.00 32.58 31.97 2f5k s HIS 21 CO 0.44 -0.80 0.00 0.41 -2.47 0.00 0.00 174.74 172.31 2f5k n GLY 22 N 5.35 0.94 0.50 1.59 0.00 -1.26 -2.99 105.19 109.31 2f5k n GLY 22 Ca -0.03 -0.72 0.02 0.00 0.00 0.00 0.00 46.02 45.29 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 3.49 1.51 -4.30 1.61 -0.04 -1.26 -4.87 135.00 131.14 2f5k n PRO 23 Ca 0.00 -0.53 -0.20 0.00 -0.04 0.00 0.00 63.50 62.73 2f5k n PRO 23 Cb 0.00 -1.37 -0.11 0.00 -0.04 0.00 0.00 33.50 31.98 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 -0.76 2.43 -0.14 1.53 1.43 -1.16 -4.89 118.68 117.12 2f5k s LEU 24 Ca 0.09 -0.85 -0.04 0.00 -1.03 0.00 0.00 54.13 52.30 2f5k s LEU 24 Cb 0.06 -0.70 -0.03 0.00 0.03 0.00 0.00 46.19 45.55 2f5k s LEU 24 CO 0.05 -0.09 0.00 -0.76 0.23 0.00 0.00 176.35 175.78 2f5k s LEU 25 N -2.62 3.51 0.01 1.79 1.43 -1.26 -1.61 118.68 119.93 2f5k s LEU 25 Ca 0.13 0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.31 2f5k s LEU 25 Cb -0.05 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 2f5k s LEU 25 CO 0.05 0.23 -0.20 -0.31 0.23 0.00 0.00 176.35 176.36 2f5k s TYR 26 N -0.01 1.75 0.49 0.29 1.51 -0.24 -4.89 117.35 116.24 2f5k s TYR 26 Ca 0.03 -0.35 -0.23 0.00 -1.01 0.00 0.00 57.07 55.52 2f5k s TYR 26 Cb -0.13 -1.09 -0.07 0.00 -0.11 0.00 0.00 41.96 40.57 2f5k s TYR 26 CO 0.02 0.02 1.22 -2.00 -1.11 0.00 0.00 175.55 173.70 2f5k s GLU 27 N -0.78 3.58 0.22 -0.62 2.12 -1.26 -0.75 118.70 121.21 2f5k s GLU 27 Ca 0.07 1.90 -0.21 0.00 0.36 0.00 0.00 54.97 57.09 2f5k s GLU 27 Cb -0.08 -2.36 0.07 0.00 0.26 0.00 0.00 34.13 32.02 2f5k s GLU 27 CO 0.00 -0.74 0.97 0.00 -0.54 0.00 0.00 175.26 174.96 2f5k s ALA 28 N -1.48 -1.43 0.01 6.30 0.00 0.12 -2.23 121.76 123.05 2f5k s ALA 28 Ca 0.66 -0.34 0.06 0.00 0.00 0.00 0.00 51.96 52.34 2f5k s ALA 28 Cb -0.32 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 2f5k s ALA 28 CO 0.38 -1.05 -0.18 0.15 0.00 0.00 0.00 175.76 175.07 2f5k s LYS 29 N -2.43 1.35 -0.57 0.00 3.01 -0.35 0.18 119.74 120.94 2f5k s LYS 29 Ca 0.19 -0.74 -0.25 0.00 -1.01 0.00 0.00 55.97 54.15 2f5k s LYS 29 Cb -0.03 -1.36 0.04 0.00 -1.01 0.00 0.00 37.83 35.47 2f5k s LYS 29 CO 0.06 0.36 1.03 0.00 0.51 0.00 0.00 175.35 177.31 2f5k h VAL 31 N 6.06 0.42 -3.76 0.00 2.07 -1.58 1.46 116.25 120.92 2f5k h VAL 31 Ca -0.26 -1.34 -0.27 0.00 0.82 0.00 0.00 66.70 65.65 2f5k h VAL 31 Cb 1.07 0.82 -0.17 0.00 -1.52 0.00 0.00 31.29 31.49 2f5k h VAL 31 CO 1.13 0.14 -0.71 -0.54 0.02 0.00 0.00 177.57 177.60 2f5k s LYS 32 N -1.84 0.82 -0.06 1.57 1.02 -1.23 -4.34 119.74 115.68 2f5k s LYS 32 Ca -0.08 -1.22 0.04 0.00 0.02 0.00 0.00 55.97 54.74 2f5k s LYS 32 Cb 0.00 -0.36 0.00 0.00 -0.52 0.00 0.00 37.83 36.95 2f5k s LYS 32 CO 0.21 0.03 -0.18 0.08 -0.92 0.00 0.00 175.35 174.57 2f5k s VAL 33 N -2.93 1.54 -0.01 3.17 1.01 -1.26 -0.79 120.40 121.12 2f5k s VAL 33 Ca 0.07 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2f5k s VAL 33 Cb 0.00 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 35.05 2f5k s VAL 33 CO -0.02 0.44 -0.03 0.00 0.00 0.00 0.00 175.10 175.49 2f5k s ALA 34 N 0.27 0.36 -0.42 5.51 0.00 -1.06 -5.01 121.76 121.41 2f5k s ALA 34 Ca -0.10 -0.06 -0.22 0.00 0.00 0.00 0.00 51.96 51.58 2f5k s ALA 34 Cb -0.14 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.81 2f5k s ALA 34 CO 0.04 0.03 0.70 0.42 0.00 0.00 0.00 175.76 176.95 2f5k s ILE 35 N 0.33 4.78 -0.33 0.00 1.01 -1.26 -1.55 121.20 124.19 2f5k s ILE 35 Ca -0.03 0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.99 2f5k s ILE 35 Cb -0.07 -4.22 0.10 0.00 0.01 0.00 0.00 42.46 38.29 2f5k s ILE 35 CO -0.01 -0.57 0.09 -0.75 0.00 0.00 0.00 174.94 173.70 2f5k s LYS 36 N 2.97 1.00 -0.42 2.79 2.20 -0.10 -4.81 119.74 123.38 2f5k s LYS 36 Ca 0.26 -1.39 -0.00 0.00 -0.36 0.00 0.00 55.97 54.47 2f5k s LYS 36 Cb -0.13 -2.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.75 2f5k s LYS 36 CO 0.19 -0.98 0.35 -0.25 -0.36 0.00 0.00 175.35 174.30 2f5k n ASP 37 N 4.59 -2.17 0.00 1.43 8.00 -1.26 -3.52 116.55 123.62 2f5k n ASP 37 Ca 0.00 -0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.30 2f5k n ASP 37 Cb 0.42 -2.08 0.00 0.00 -0.02 0.00 0.00 41.12 39.44 2f5k n ASP 37 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2f5k n LYS 38 N -2.07 -0.01 -4.53 -1.24 5.02 -1.26 -4.99 118.16 109.09 2f5k n LYS 38 Ca -0.09 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.92 2f5k n LYS 38 Cb 0.55 -3.11 -0.10 0.00 -0.02 0.00 0.00 35.03 32.36 2f5k n LYS 38 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2f5k s GLN 39 N -0.30 2.05 -0.03 1.97 -0.21 -1.23 -4.44 119.66 117.46 2f5k s GLN 39 Ca 0.00 -2.10 0.00 0.00 0.02 0.00 0.00 55.36 53.28 2f5k s GLN 39 Cb 0.00 -1.70 -0.03 0.00 1.00 0.00 0.00 33.01 32.28 2f5k s GLN 39 CO 0.00 -0.12 0.00 0.08 -2.12 0.00 0.00 175.29 173.14 2f5k s VAL 40 N -2.71 4.22 0.13 1.09 1.01 -1.26 -0.92 120.40 121.96 2f5k s VAL 40 Ca 0.32 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.84 2f5k s VAL 40 Cb 0.07 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 2f5k s VAL 40 CO 0.17 0.46 -0.02 -0.54 0.00 0.00 0.00 175.10 175.16 2f5k s LYS 41 N -1.33 0.95 -0.02 2.72 -0.14 -0.59 -3.60 119.74 117.73 2f5k s LYS 41 Ca 0.17 -1.42 0.00 0.00 -1.36 0.00 0.00 55.97 53.37 2f5k s LYS 41 Cb -0.11 -0.17 0.02 0.00 -1.68 0.00 0.00 37.83 35.89 2f5k s LYS 41 CO 0.08 -0.09 0.01 0.71 -0.76 0.00 0.00 175.35 175.29 2f5k s TYR 42 N -3.69 0.15 -0.34 3.18 1.51 0.15 -2.56 117.35 115.75 2f5k s TYR 42 Ca 0.18 0.05 -0.25 0.00 -1.01 0.00 0.00 57.07 56.04 2f5k s TYR 42 Cb 0.06 -0.25 0.01 0.00 -0.11 0.00 0.00 41.96 41.67 2f5k s TYR 42 CO -0.01 -0.08 0.86 0.12 -1.11 0.00 0.00 175.55 175.33 2f5k s PHE 43 N 0.76 3.15 -0.09 2.71 5.36 0.03 0.11 117.98 130.00 2f5k s PHE 43 Ca -0.07 0.79 -0.02 0.00 -0.96 0.00 0.00 56.93 56.67 2f5k s PHE 43 Cb -0.10 -3.42 -0.03 0.00 -0.34 0.00 0.00 43.02 39.13 2f5k s PHE 43 CO -0.02 -0.69 0.01 0.42 -1.46 0.00 0.00 175.22 173.48 2f5k s ILE 44 N 3.20 4.36 -0.18 3.12 -1.09 0.27 -1.47 121.20 129.40 2f5k s ILE 44 Ca 0.35 -0.23 0.01 0.00 -2.23 0.00 0.00 60.65 58.55 2f5k s ILE 44 Cb -0.13 -2.84 0.02 0.00 -1.58 0.00 0.00 42.46 37.93 2f5k s ILE 44 CO 0.15 0.60 -0.19 -2.28 -1.23 0.00 0.00 174.94 172.00 2f5k s HIS 45 N -0.87 2.78 -0.02 3.97 5.65 -0.91 -1.89 115.29 123.99 2f5k s HIS 45 Ca 0.13 -1.57 -0.30 0.00 0.25 0.00 0.00 55.06 53.57 2f5k s HIS 45 Cb -0.11 -1.92 -0.04 0.00 -1.18 0.00 0.00 32.58 29.33 2f5k s HIS 45 CO 0.02 -0.77 1.14 0.71 -0.65 0.00 0.00 174.74 175.19 2f5k s TYR 46 N 1.25 3.37 0.29 3.88 1.51 -1.26 -1.21 117.35 125.18 2f5k s TYR 46 Ca 0.04 1.36 -0.30 0.00 -1.01 0.00 0.00 57.07 57.17 2f5k s TYR 46 Cb -0.13 -3.34 -0.11 0.00 -0.11 0.00 0.00 41.96 38.27 2f5k s TYR 46 CO -0.11 -0.96 1.48 -1.12 -1.11 0.00 0.00 175.55 173.73 2f5k s SER 47 N 1.24 6.54 0.00 2.29 0.01 -0.95 -1.44 113.70 121.40 2f5k s SER 47 Ca 0.55 2.81 0.00 0.00 1.31 0.00 0.00 55.95 60.62 2f5k s SER 47 Cb -0.25 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.35 2f5k s SER 47 CO 0.24 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.73 2f5k n GLY 48 N 1.83 0.87 3.73 3.44 0.00 -1.26 -4.90 105.19 108.89 2f5k n GLY 48 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.51 3.17 0.54 1.61 0.52 -0.52 -5.09 118.94 115.66 2f5k s TRP 49 Ca 0.00 0.12 -0.21 0.00 0.02 0.00 0.00 56.10 56.03 2f5k s TRP 49 Cb 0.00 -1.68 -0.05 0.00 -1.15 0.00 0.00 33.47 30.59 2f5k s TRP 49 CO 0.00 0.51 1.30 -0.80 0.02 0.00 0.00 176.95 177.97 2f5k s ASN 50 N -1.80 5.37 0.01 2.95 0.01 -1.26 -4.79 114.94 115.42 2f5k s ASN 50 Ca 0.23 2.62 0.01 0.00 -0.71 0.00 0.00 52.86 55.00 2f5k s ASN 50 Cb -0.12 -2.62 0.04 0.00 0.41 0.00 0.00 41.25 38.96 2f5k s ASN 50 CO 0.14 -1.49 1.03 0.29 -1.51 0.00 0.00 177.10 175.55 2f5k n LYS 51 N -1.08 0.00 0.00 -0.60 5.02 -1.26 -2.30 118.16 117.95 2f5k n LYS 51 Ca 0.11 0.50 0.14 0.00 -2.02 0.00 0.00 58.31 57.04 2f5k n LYS 51 Cb 0.46 -1.52 0.65 0.00 -0.02 0.00 0.00 35.03 34.60 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 -1.53 0.23 -0.05 4.39 4.13 -1.26 -2.40 115.26 118.77 2f5k n ASN 52 Ca -0.00 -0.24 0.12 0.00 1.68 0.00 0.00 54.58 56.14 2f5k n ASN 52 Cb 0.00 -0.19 0.33 0.00 -1.54 0.00 0.00 39.78 38.38 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 -1.19 0.00 -1.66 3.10 7.02 -0.97 -4.87 117.44 118.86 2f5k n TRP 53 Ca 0.13 0.00 -0.44 0.00 -1.02 0.00 0.00 57.50 56.16 2f5k n TRP 53 Cb 0.28 -0.24 -0.02 0.00 -2.42 0.00 0.00 31.31 28.90 2f5k n TRP 53 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 2f5k n ASP 54 N -1.31 2.45 -3.62 -0.99 9.92 -1.01 -4.85 116.55 117.15 2f5k n ASP 54 Ca 0.07 1.17 -0.11 0.00 -0.53 0.00 0.00 54.79 55.40 2f5k n ASP 54 Cb 0.33 -1.41 -0.04 0.00 -0.64 0.00 0.00 41.12 39.36 2f5k n ASP 54 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 2f5k s GLU 55 N -1.02 1.09 0.09 -1.24 -1.05 -0.79 -4.94 118.70 110.83 2f5k s GLU 55 Ca 0.63 -0.69 -0.26 0.00 -0.15 0.00 0.00 54.97 54.50 2f5k s GLU 55 Cb -0.65 0.48 -0.06 0.00 -0.44 0.00 0.00 34.13 33.46 2f5k s GLU 55 CO 0.55 -0.43 0.80 -1.58 0.95 0.00 0.00 175.26 175.55 2f5k s TRP 56 N -3.80 3.79 0.04 4.83 0.52 -1.26 0.93 118.94 124.00 2f5k s TRP 56 Ca 0.03 1.57 0.03 0.00 0.02 0.00 0.00 56.10 57.74 2f5k s TRP 56 Cb 0.02 -2.84 -0.02 0.00 -1.15 0.00 0.00 33.47 29.47 2f5k s TRP 56 CO -0.12 0.32 -0.09 0.08 0.02 0.00 0.00 176.95 177.17 2f5k s VAL 57 N -0.33 0.62 0.54 4.03 1.01 0.30 -4.89 120.40 121.68 2f5k s VAL 57 Ca 0.39 -1.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.16 2f5k s VAL 57 Cb -0.22 -0.66 -0.07 0.00 0.00 0.00 0.00 36.38 35.44 2f5k s VAL 57 CO 0.25 -0.32 1.00 -2.16 0.00 0.00 0.00 175.10 173.86 2f5k s PRO 58 N -1.50 3.85 0.28 2.72 0.04 -1.26 0.33 135.00 139.45 2f5k s PRO 58 Ca -0.08 0.93 -0.02 0.00 0.04 0.00 0.00 61.00 61.87 2f5k s PRO 58 Cb -0.09 -2.12 0.60 0.00 0.04 0.00 0.00 34.50 32.93 2f5k s PRO 58 CO 0.01 -0.35 1.61 0.93 0.04 0.00 0.00 177.00 179.24 2f5k h GLU 59 N 0.66 0.08 -1.31 4.56 5.08 -1.93 -0.85 114.58 120.87 2f5k h GLU 59 Ca -0.46 -0.01 0.43 0.00 -1.00 0.00 0.00 59.36 58.32 2f5k h GLU 59 Cb 1.19 -0.02 -0.13 0.00 0.50 0.00 0.00 28.75 30.29 2f5k h GLU 59 CO 0.61 0.06 0.84 0.77 -1.00 0.00 0.00 179.01 180.29 2f5k h SER 60 N 0.09 0.25 0.30 1.42 0.02 -1.93 0.15 113.55 113.85 2f5k h SER 60 Ca 0.51 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.60 2f5k h SER 60 Cb 0.98 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2f5k h SER 60 CO -0.77 -0.18 -0.05 0.54 -1.14 0.00 0.00 176.83 175.23 2f5k n ARG 61 N -4.70 0.78 -4.78 3.45 1.74 -0.33 -4.83 116.66 107.98 2f5k n ARG 61 Ca 0.37 -0.19 -0.33 0.00 -0.77 0.00 0.00 57.85 56.94 2f5k n ARG 61 Cb 1.42 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 31.22 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 3.10 0.06 1.55 1.01 0.53 -0.22 120.40 124.08 2f5k s VAL 62 Ca 0.34 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.74 2f5k s VAL 62 Cb 0.21 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 2f5k s VAL 62 CO 0.44 0.54 -0.22 -0.76 0.00 0.00 0.00 175.10 175.09 2f5k s LEU 63 N 0.12 2.21 0.36 3.92 1.43 0.23 -4.98 118.68 121.96 2f5k s LEU 63 Ca -0.06 -0.59 -0.27 0.00 -1.03 0.00 0.00 54.13 52.18 2f5k s LEU 63 Cb -0.15 -1.02 -0.12 0.00 0.03 0.00 0.00 46.19 44.93 2f5k s LEU 63 CO 0.05 0.15 1.27 0.29 0.23 0.00 0.00 176.35 178.34 2f5k n LYS 64 N 1.58 2.05 -2.69 1.70 4.01 -1.26 -0.34 118.16 123.21 2f5k n LYS 64 Ca -0.18 0.72 -0.42 0.00 -0.51 0.00 0.00 58.31 57.92 2f5k n LYS 64 Cb 0.53 -2.31 -0.02 0.00 -0.51 0.00 0.00 35.03 32.71 2f5k n LYS 64 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 2f5k s TYR 65 N -1.12 2.78 0.04 2.13 5.04 -1.26 -4.61 117.35 120.36 2f5k s TYR 65 Ca 0.57 -1.15 -0.06 0.00 -2.44 0.00 0.00 57.07 53.99 2f5k s TYR 65 Cb -0.56 -4.56 -0.01 0.00 0.35 0.00 0.00 41.96 37.18 2f5k s TYR 65 CO 0.61 -1.76 0.11 0.54 -1.34 0.00 0.00 175.55 173.71 2f5k s VAL 66 N 4.04 0.13 0.21 3.14 0.11 -1.26 -5.03 120.40 121.74 2f5k s VAL 66 Ca 0.43 -1.10 -0.15 0.00 -2.93 0.00 0.00 61.98 58.22 2f5k s VAL 66 Cb -0.01 -0.94 0.23 0.00 -1.53 0.00 0.00 36.38 34.13 2f5k s VAL 66 CO -0.08 -0.61 1.61 0.44 -3.33 0.00 0.00 175.10 173.13 2f5k h ASP 67 N 3.58 -0.79 -0.78 3.54 3.32 -1.98 0.49 116.42 123.79 2f5k h ASP 67 Ca -0.33 0.21 0.12 0.00 0.02 0.00 0.00 57.03 57.05 2f5k h ASP 67 Cb 1.18 0.47 -0.13 0.00 0.22 0.00 0.00 39.33 41.07 2f5k h ASP 67 CO 0.51 -0.25 -0.41 0.74 -1.72 0.00 0.00 179.24 178.11 2f5k h THR 68 N -0.05 0.07 0.00 0.35 2.02 -1.97 0.14 112.91 113.46 2f5k h THR 68 Ca 0.30 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.31 2f5k h THR 68 Cb 0.52 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 2f5k h THR 68 CO -0.70 0.00 -0.82 0.78 0.37 0.00 0.00 175.52 175.15 2f5k h ASN 69 N -0.10 0.00 -0.47 4.18 2.35 -1.51 -1.80 115.58 118.23 2f5k h ASN 69 Ca 0.25 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.94 2f5k h ASN 69 Cb 0.56 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 2f5k h ASN 69 CO -0.82 0.82 0.07 -0.07 -1.65 0.00 0.00 177.43 175.77 2f5k h LEU 70 N 0.00 0.81 -0.30 1.61 3.38 -0.32 0.12 115.31 120.61 2f5k h LEU 70 Ca -0.01 -0.17 -0.19 0.00 0.09 0.00 0.00 57.88 57.60 2f5k h LEU 70 Cb 1.52 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2f5k h LEU 70 CO 0.11 0.83 -0.55 -0.61 0.09 0.00 0.00 178.44 178.30 2f5k h GLN 71 N 0.80 0.88 0.14 1.13 5.75 -0.37 -1.72 115.11 121.72 2f5k h GLN 71 Ca 0.17 -0.56 0.01 0.00 -0.15 0.00 0.00 58.65 58.12 2f5k h GLN 71 Cb 0.39 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.98 2f5k h GLN 71 CO 0.01 1.20 -0.26 -0.22 -2.65 0.00 0.00 178.83 176.91 2f5k h LYS 72 N 0.67 -0.46 -0.59 1.69 3.64 -1.01 0.56 116.57 121.07 2f5k h LYS 72 Ca 0.01 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.54 2f5k h LYS 72 Cb 1.17 0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 32.97 2f5k h LYS 72 CO 0.12 -0.31 -0.27 0.37 -2.27 0.00 0.00 179.45 177.10 2f5k h GLN 73 N -0.48 -0.11 -0.20 1.90 4.15 -0.68 0.29 115.11 119.99 2f5k h GLN 73 Ca 0.02 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.47 2f5k h GLN 73 Cb 0.49 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 2f5k h GLN 73 CO -0.13 -0.07 0.08 -0.09 -1.93 0.00 0.00 178.83 176.69 2f5k h ARG 74 N -0.11 0.18 -0.68 1.69 2.43 -0.99 0.03 114.38 116.93 2f5k h ARG 74 Ca 0.26 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2f5k h ARG 74 Cb 0.53 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 2f5k h ARG 74 CO -0.66 0.12 0.34 0.93 -1.51 0.00 0.00 179.97 179.19 2f5k h GLU 75 N 0.18 0.95 -0.41 0.20 5.08 0.28 -1.85 114.58 119.02 2f5k h GLU 75 Ca 0.08 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 2f5k h GLU 75 Cb 0.04 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2f5k h GLU 75 CO -0.07 0.72 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.43 2f5k h LEU 76 N 0.95 0.77 0.22 1.33 4.07 -0.05 -0.06 115.31 122.55 2f5k h LEU 76 Ca 0.24 -0.25 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 2f5k h LEU 76 Cb 0.07 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.60 2f5k h LEU 76 CO -0.03 0.93 -0.11 1.56 -1.08 0.00 0.00 178.44 179.71 2f5k h GLN 77 N 0.68 -0.29 -0.34 1.13 4.20 -0.30 -0.95 115.11 119.25 2f5k h GLN 77 Ca 0.11 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.88 2f5k h GLN 77 Cb 0.66 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.46 2f5k h GLN 77 CO 0.05 -0.15 0.06 -0.22 -0.67 0.00 0.00 178.83 177.90 2f5k h LYS 78 N -0.35 0.18 -0.70 1.46 3.64 -1.24 -1.24 116.57 118.30 2f5k h LYS 78 Ca -0.03 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2f5k h LYS 78 Cb 0.27 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 2f5k h LYS 78 CO 0.05 0.12 0.46 0.00 -2.27 0.00 0.00 179.45 177.80 2f5k h ALA 79 N 1.25 0.90 -0.64 5.00 0.00 -0.84 -1.56 119.26 123.37 2f5k h ALA 79 Ca 0.16 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2f5k h ALA 79 Cb 0.18 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2f5k h ALA 79 CO -0.21 0.27 0.09 -0.97 0.00 0.00 0.00 179.25 178.43 2f5k h ASN 80 N 0.92 1.02 0.09 0.00 -0.00 -0.80 -2.58 115.58 114.22 2f5k h ASN 80 Ca 0.27 -0.25 0.01 0.00 -0.00 0.00 0.00 56.30 56.33 2f5k h ASN 80 Cb -0.06 -0.27 -0.02 0.00 -0.00 0.00 0.00 38.32 37.98 2f5k h ASN 80 CO -0.08 1.02 -0.14 1.56 -0.00 0.00 0.00 177.43 179.79 2f5k h GLN 81 N 0.99 -0.27 -0.71 6.67 4.20 -0.79 -2.85 115.11 122.35 2f5k h GLN 81 Ca 0.20 0.02 0.21 0.00 0.06 0.00 0.00 58.65 59.13 2f5k h GLN 81 Cb 0.45 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 2f5k h GLN 81 CO 0.01 -0.18 0.56 0.93 -0.67 0.00 0.00 178.83 179.48 2f5k h GLU 82 N -0.28 0.00 0.00 1.46 5.08 -0.90 -1.76 114.58 118.18 2f5k h GLU 82 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2f5k h GLU 82 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2f5k h GLU 82 CO -0.07 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 178.98 2f5k n GLN 83 N -4.11 0.00 0.00 2.33 6.02 -1.08 -5.12 117.38 115.43 2f5k n GLN 83 Ca 0.14 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.15 2f5k n GLN 83 Cb 0.83 -1.38 0.02 0.00 1.02 0.00 0.00 30.24 30.72 2f5k n GLN 83 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71