#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f5y s ARG 15 N 0.00 1.07 -0.07 0.03 3.52 -0.68 -4.97 118.95 117.85 2f5y s ARG 15 Ca 0.00 -1.32 -0.11 0.00 -0.13 0.00 0.00 55.73 54.17 2f5y s ARG 15 Cb 0.00 -0.90 -0.05 0.00 -1.56 0.00 0.00 34.95 32.44 2f5y s ARG 15 CO 0.00 0.16 0.27 0.71 -0.81 0.00 0.00 175.30 175.63 2f5y s TYR 16 N -2.41 3.65 -0.02 5.12 1.51 -1.26 0.15 117.35 124.09 2f5y s TYR 16 Ca 0.12 0.73 0.03 0.00 -1.01 0.00 0.00 57.07 56.94 2f5y s TYR 16 Cb -0.03 -2.12 -0.00 0.00 -0.11 0.00 0.00 41.96 39.70 2f5y s TYR 16 CO 0.03 0.66 -0.10 1.03 -1.11 0.00 0.00 175.55 176.06 2f5y s ARG 17 N -0.94 0.97 -0.22 -0.62 1.81 -0.23 -4.96 118.95 114.76 2f5y s ARG 17 Ca 0.19 -0.35 -0.14 0.00 -1.72 0.00 0.00 55.73 53.71 2f5y s ARG 17 Cb -0.14 -0.91 -0.04 0.00 -0.45 0.00 0.00 34.95 33.40 2f5y s ARG 17 CO 0.08 0.16 0.30 -1.14 -0.68 0.00 0.00 175.30 174.02 2f5y s GLN 18 N 0.02 4.12 -0.16 3.54 0.74 -1.26 -0.57 119.66 126.08 2f5y s GLN 18 Ca -0.00 -0.00 0.01 0.00 0.05 0.00 0.00 55.36 55.41 2f5y s GLN 18 Cb -0.07 -3.55 0.02 0.00 1.10 0.00 0.00 33.01 30.51 2f5y s GLN 18 CO 0.00 -0.03 -0.18 0.42 -0.55 0.00 0.00 175.29 174.95 2f5y s ILE 19 N 1.29 1.89 -0.24 -2.34 -1.09 0.39 -5.00 121.20 116.11 2f5y s ILE 19 Ca 0.14 -0.84 -0.10 0.00 -2.23 0.00 0.00 60.65 57.61 2f5y s ILE 19 Cb -0.14 -1.72 -0.05 0.00 -1.58 0.00 0.00 42.46 38.97 2f5y s ILE 19 CO 0.07 0.51 0.15 -0.89 -1.23 0.00 0.00 174.94 173.55 2f5y s THR 20 N 1.26 5.32 -0.18 2.92 2.01 -1.26 -0.04 115.64 125.67 2f5y s THR 20 Ca 0.03 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.20 2f5y s THR 20 Cb -0.13 -3.48 0.03 0.00 0.01 0.00 0.00 72.50 68.93 2f5y s THR 20 CO -0.10 0.35 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.41 2f5y s ILE 21 N 1.01 1.72 0.33 1.82 1.01 0.19 -4.76 121.20 122.51 2f5y s ILE 21 Ca 0.07 -0.86 -0.26 0.00 0.00 0.00 0.00 60.65 59.61 2f5y s ILE 21 Cb -0.13 -1.66 -0.10 0.00 0.01 0.00 0.00 42.46 40.57 2f5y s ILE 21 CO 0.04 0.36 0.96 -2.16 0.00 0.00 0.00 174.94 174.14 2f5y s PRO 22 N 1.40 4.55 0.09 2.79 0.04 -1.26 -1.66 135.00 140.95 2f5y s PRO 22 Ca 0.02 1.37 -0.31 0.00 0.04 0.00 0.00 61.00 62.13 2f5y s PRO 22 Cb -0.14 -2.80 -0.07 0.00 0.04 0.00 0.00 34.50 31.53 2f5y s PRO 22 CO -0.10 0.24 1.25 0.50 0.04 0.00 0.00 177.00 178.93 2f5y s ARG 23 N -2.05 4.41 0.10 4.56 3.52 0.65 -4.80 118.95 125.32 2f5y s ARG 23 Ca 0.50 1.87 -0.01 0.00 -0.13 0.00 0.00 55.73 57.96 2f5y s ARG 23 Cb -0.20 -3.31 0.02 0.00 -1.56 0.00 0.00 34.95 29.91 2f5y s ARG 23 CO 0.25 -0.29 0.13 0.41 -0.81 0.00 0.00 175.30 174.99 2f5y n GLY 24 N 3.19 -0.71 0.22 8.12 0.00 0.16 -4.95 105.19 111.23 2f5y n GLY 24 Ca 0.09 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.27 2f5y n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f5y h LYS 25 N 0.00 0.71 -0.94 1.61 1.79 -2.03 -3.20 116.57 114.52 2f5y h LYS 25 Ca -0.04 -0.22 -0.59 0.00 -2.18 0.00 0.00 60.65 57.62 2f5y h LYS 25 Cb 0.12 -0.07 -0.30 0.00 -1.58 0.00 0.00 32.23 30.41 2f5y h LYS 25 CO 0.03 0.78 0.61 -0.40 -1.08 0.00 0.00 179.45 179.40 2f5y n ASP 26 N -4.45 6.08 0.00 0.86 5.68 -1.26 -5.05 116.55 118.40 2f5y n ASP 26 Ca -0.01 -3.74 0.00 0.00 -0.50 0.00 0.00 54.79 50.55 2f5y n ASP 26 Cb 0.27 -0.87 0.00 0.00 -1.14 0.00 0.00 41.12 39.39 2f5y n ASP 26 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2f5y n GLY 27 N -0.98 -0.01 0.00 6.12 0.00 -1.21 -4.56 105.19 104.55 2f5y n GLY 27 Ca 0.59 -1.53 0.10 0.00 0.00 0.00 0.00 46.02 45.18 2f5y n GLY 27 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2f5y n PHE 28 N 0.71 0.00 -2.36 1.61 3.01 -1.26 0.41 117.46 119.58 2f5y n PHE 28 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.42 2f5y n PHE 28 Cb 0.00 -0.06 0.02 0.00 -0.01 0.00 0.00 39.48 39.43 2f5y n PHE 28 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2f5y n GLY 29 N 1.46 0.23 3.52 1.37 0.00 -1.26 -1.03 105.19 109.48 2f5y n GLY 29 Ca 0.03 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 2f5y n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2f5y s PHE 30 N -3.10 -0.40 0.17 1.61 -0.71 -1.26 -1.53 117.98 112.76 2f5y s PHE 30 Ca 0.01 0.19 0.11 0.00 -1.04 0.00 0.00 56.93 56.20 2f5y s PHE 30 Cb -0.00 0.57 -0.04 0.00 -1.21 0.00 0.00 43.02 42.34 2f5y s PHE 30 CO 0.19 -0.76 -0.24 0.99 -1.34 0.00 0.00 175.22 174.06 2f5y s THR 31 N -3.48 2.26 0.13 -4.49 2.01 0.04 -4.99 115.64 107.12 2f5y s THR 31 Ca 0.04 -1.92 0.05 0.00 0.31 0.00 0.00 61.69 60.18 2f5y s THR 31 Cb -0.01 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 2f5y s THR 31 CO -0.09 -0.06 -0.13 0.27 -0.69 0.00 0.00 174.62 173.93 2f5y s ILE 32 N -1.49 1.25 0.05 1.82 -4.36 -1.26 -0.75 121.20 116.46 2f5y s ILE 32 Ca 0.18 -1.81 -0.18 0.00 -0.26 0.00 0.00 60.65 58.58 2f5y s ILE 32 Cb -0.08 -1.60 0.03 0.00 1.25 0.00 0.00 42.46 42.06 2f5y s ILE 32 CO 0.08 -0.52 0.40 0.00 0.24 0.00 0.00 174.94 175.14 2f5y s ASP 35 N -3.95 2.87 -0.86 0.00 1.01 -1.26 -3.16 116.67 111.32 2f5y s ASP 35 Ca 0.00 -0.55 -0.05 0.00 0.71 0.00 0.00 52.55 52.66 2f5y s ASP 35 Cb 0.00 -0.26 -0.00 0.00 1.01 0.00 0.00 42.92 43.67 2f5y s ASP 35 CO 0.00 0.23 0.69 -1.20 0.21 0.00 0.00 175.17 175.10 2f5y n SER 36 N 1.88 -6.17 -4.93 0.27 7.64 0.11 -4.59 113.62 107.83 2f5y n SER 36 Ca -0.17 -0.62 -0.25 0.00 1.01 0.00 0.00 58.87 58.84 2f5y n SER 36 Cb 0.52 -3.56 0.01 0.00 -1.01 0.00 0.00 64.21 60.18 2f5y n SER 36 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2f5y s PRO 37 N -4.39 3.18 0.22 1.43 0.04 -0.92 -4.88 135.00 129.69 2f5y s PRO 37 Ca 0.11 -0.17 -0.20 0.00 0.04 0.00 0.00 61.00 60.78 2f5y s PRO 37 Cb -0.04 -2.45 -0.08 0.00 0.04 0.00 0.00 34.50 31.97 2f5y s PRO 37 CO 0.83 -0.33 0.73 0.08 0.04 0.00 0.00 177.00 178.35 2f5y s VAL 38 N -2.69 4.55 0.09 -0.36 1.01 -1.26 -4.83 120.40 116.91 2f5y s VAL 38 Ca 0.49 1.31 0.08 0.00 0.00 0.00 0.00 61.98 63.86 2f5y s VAL 38 Cb -0.10 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2f5y s VAL 38 CO 0.41 0.21 -0.18 -0.60 0.00 0.00 0.00 175.10 174.94 2f5y s ARG 39 N -1.96 1.88 -0.20 2.72 3.52 0.12 -0.94 118.95 124.10 2f5y s ARG 39 Ca 0.43 -1.11 -0.29 0.00 -0.13 0.00 0.00 55.73 54.63 2f5y s ARG 39 Cb -0.17 -2.13 -0.01 0.00 -1.56 0.00 0.00 34.95 31.08 2f5y s ARG 39 CO 0.21 0.50 1.24 0.08 -0.81 0.00 0.00 175.30 176.52 2f5y s VAL 40 N -1.06 4.32 -0.10 7.11 1.01 0.79 -1.14 120.40 131.33 2f5y s VAL 40 Ca 0.17 1.58 -0.22 0.00 0.00 0.00 0.00 61.98 63.50 2f5y s VAL 40 Cb -0.11 -4.07 -0.28 0.00 0.00 0.00 0.00 36.38 31.92 2f5y s VAL 40 CO 0.08 -0.20 0.72 -0.61 0.00 0.00 0.00 175.10 175.10 2f5y h GLN 41 N 8.27 0.19 -2.91 2.72 5.75 -1.23 -1.40 115.11 126.50 2f5y h GLN 41 Ca -0.25 -0.33 0.02 0.00 -0.15 0.00 0.00 58.65 57.93 2f5y h GLN 41 Cb 1.10 0.12 -0.11 0.00 1.07 0.00 0.00 27.48 29.66 2f5y h GLN 41 CO 0.98 1.16 0.25 0.00 -2.65 0.00 0.00 178.83 178.57 2f5y s ALA 42 N -2.39 -1.54 -0.01 3.38 0.00 -1.20 -4.73 121.76 115.27 2f5y s ALA 42 Ca -0.18 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.18 2f5y s ALA 42 Cb 0.01 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 23.96 2f5y s ALA 42 CO 0.76 -0.83 -0.11 0.08 0.00 0.00 0.00 175.76 175.67 2f5y s VAL 43 N -3.71 0.88 -0.10 0.00 1.01 -1.26 -0.78 120.40 116.44 2f5y s VAL 43 Ca 0.04 -0.47 -0.27 0.00 0.00 0.00 0.00 61.98 61.28 2f5y s VAL 43 Cb -0.02 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 2f5y s VAL 43 CO -0.08 0.25 0.90 -1.81 0.00 0.00 0.00 175.10 174.36 2f5y s ASP 44 N -0.18 7.14 0.10 3.32 1.01 -0.59 -4.97 116.67 122.50 2f5y s ASP 44 Ca 0.03 1.39 -0.33 0.00 0.71 0.00 0.00 52.55 54.35 2f5y s ASP 44 Cb -0.05 -2.50 -0.13 0.00 1.01 0.00 0.00 42.92 41.24 2f5y s ASP 44 CO -0.00 -0.34 1.69 -1.20 0.21 0.00 0.00 175.17 175.53 2f5y n SER 45 N 4.66 3.35 0.00 0.27 7.64 -1.26 -0.72 113.62 127.57 2f5y n SER 45 Ca 0.05 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.97 2f5y n SER 45 Cb 0.50 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 2f5y n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2f5y n GLY 46 N 3.79 3.04 3.58 0.23 0.00 -1.26 -5.03 105.19 109.54 2f5y n GLY 46 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2f5y n GLY 46 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2f5y s GLY 47 N -1.49 1.55 0.12 -0.02 0.00 0.10 -4.83 107.32 102.74 2f5y s GLY 47 Ca 0.00 -0.56 -0.21 0.00 0.00 0.00 0.00 44.72 43.95 2f5y s GLY 47 CO 0.00 0.20 1.72 -2.55 0.00 0.00 0.00 173.10 172.47 2f5y h PRO 48 N -2.40 0.02 -0.93 2.90 0.11 -1.85 -2.98 132.00 126.86 2f5y h PRO 48 Ca -0.52 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.62 2f5y h PRO 48 Cb 1.32 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.38 2f5y h PRO 48 CO 0.47 0.02 0.61 0.00 -0.21 0.00 0.00 178.00 178.89 2f5y h ALA 49 N 1.12 1.40 -0.53 -0.75 0.00 -1.26 -0.15 119.26 119.09 2f5y h ALA 49 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2f5y h ALA 49 Cb 0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2f5y h ALA 49 CO -0.12 0.52 0.27 1.49 0.00 0.00 0.00 179.25 181.41 2f5y h GLU 50 N 1.18 0.75 0.02 0.00 4.81 -1.75 0.32 114.58 119.91 2f5y h GLU 50 Ca 0.37 -0.10 -0.21 0.00 -0.13 0.00 0.00 59.36 59.28 2f5y h GLU 50 Cb -0.01 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 2f5y h GLU 50 CO -0.11 0.60 -1.00 -0.09 -0.73 0.00 0.00 179.01 177.69 2f5y h ARG 51 N 0.71 0.07 0.00 1.92 2.43 -1.20 -2.51 114.38 115.79 2f5y h ARG 51 Ca 0.18 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2f5y h ARG 51 Cb 0.09 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2f5y h ARG 51 CO -0.03 1.00 -0.02 0.00 -1.51 0.00 0.00 179.97 179.42 2f5y h ALA 52 N 0.95 1.03 0.00 2.80 0.00 -0.98 -3.47 119.26 119.60 2f5y h ALA 52 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2f5y h ALA 52 Cb 1.73 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2f5y h ALA 52 CO 0.14 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.82 2f5y n GLY 53 N -0.38 1.10 3.76 0.00 0.00 -0.83 -4.70 105.19 104.14 2f5y n GLY 53 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2f5y n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2f5y s LEU 54 N 0.00 3.59 0.14 0.99 0.20 0.04 -5.00 118.68 118.64 2f5y s LEU 54 Ca 0.00 2.21 -0.12 0.00 0.69 0.00 0.00 54.13 56.91 2f5y s LEU 54 Cb 0.00 -4.58 0.01 0.00 -0.43 0.00 0.00 46.19 41.19 2f5y s LEU 54 CO 0.00 -1.54 0.34 0.00 -0.29 0.00 0.00 176.35 174.86 2f5y s GLN 55 N -3.57 1.09 0.52 1.98 -2.07 -1.26 -4.50 119.66 111.85 2f5y s GLN 55 Ca 0.73 -0.93 -0.21 0.00 -1.82 0.00 0.00 55.36 53.13 2f5y s GLN 55 Cb -0.25 0.42 -0.08 0.00 -1.09 0.00 0.00 33.01 32.01 2f5y s GLN 55 CO 0.34 -0.41 0.95 0.00 -1.32 0.00 0.00 175.29 174.85 2f5y n GLN 56 N -0.20 1.09 -0.59 9.60 10.64 -1.26 -2.35 117.38 134.31 2f5y n GLN 56 Ca -0.12 0.40 0.00 0.00 -1.83 0.00 0.00 57.00 55.45 2f5y n GLN 56 Cb 0.63 -2.08 0.00 0.00 -0.86 0.00 0.00 30.24 27.93 2f5y n GLN 56 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2f5y n LEU 57 N -0.07 0.16 -4.70 2.61 4.77 -0.53 -4.99 117.00 114.25 2f5y n LEU 57 Ca 0.11 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.67 2f5y n LEU 57 Cb 0.44 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 2f5y n LEU 57 CO 0.53 -0.08 1.26 -1.81 -1.33 0.00 0.00 177.39 175.96 2f5y s ASP 58 N -3.01 6.63 -0.21 -1.43 1.01 -0.99 -4.75 116.67 113.92 2f5y s ASP 58 Ca 0.00 2.51 -0.09 0.00 0.71 0.00 0.00 52.55 55.68 2f5y s ASP 58 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 2f5y s ASP 58 CO 0.00 -0.83 0.11 -0.89 0.21 0.00 0.00 175.17 173.76 2f5y s THR 59 N 1.91 5.11 -0.24 -1.27 2.01 -0.46 -0.15 115.64 122.56 2f5y s THR 59 Ca 0.71 0.09 -0.23 0.00 0.31 0.00 0.00 61.69 62.57 2f5y s THR 59 Cb -0.41 -3.34 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 2f5y s THR 59 CO 0.31 0.42 0.74 -0.69 -0.69 0.00 0.00 174.62 174.72 2f5y s VAL 60 N 0.61 4.90 -0.14 3.82 1.01 -0.11 -0.38 120.40 130.12 2f5y s VAL 60 Ca 0.06 1.39 0.15 0.00 0.00 0.00 0.00 61.98 63.58 2f5y s VAL 60 Cb -0.12 -4.04 -0.22 0.00 0.00 0.00 0.00 36.38 32.00 2f5y s VAL 60 CO 0.01 -0.02 0.12 0.18 0.00 0.00 0.00 175.10 175.39 2f5y n LEU 61 N 5.80 0.00 -3.73 3.92 4.77 0.02 -4.25 117.00 123.54 2f5y n LEU 61 Ca 0.03 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.89 2f5y n LEU 61 Cb 0.48 0.33 -0.11 0.00 -2.33 0.00 0.00 43.42 41.80 2f5y n LEU 61 CO 0.46 0.33 0.04 -1.58 -1.33 0.00 0.00 177.39 175.31 2f5y s GLN 62 N -2.56 0.41 -0.13 3.23 0.74 -1.05 -1.01 119.66 119.29 2f5y s GLN 62 Ca -0.08 0.60 0.01 0.00 0.05 0.00 0.00 55.36 55.94 2f5y s GLN 62 Cb 0.06 0.13 0.02 0.00 1.10 0.00 0.00 33.01 34.32 2f5y s GLN 62 CO 0.69 -0.09 -0.14 -1.17 -0.55 0.00 0.00 175.29 174.03 2f5y s LEU 63 N 0.60 1.68 -1.45 3.68 2.96 0.75 -1.16 118.68 125.74 2f5y s LEU 63 Ca -0.03 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.41 2f5y s LEU 63 Cb -0.05 -1.12 0.00 0.00 0.50 0.00 0.00 46.19 45.52 2f5y s LEU 63 CO -0.04 -0.02 0.26 0.59 -1.32 0.00 0.00 176.35 175.82 2f5y n ASN 64 N 4.49 -0.09 -1.47 3.68 3.02 -0.25 -0.43 115.26 124.21 2f5y n ASN 64 Ca -0.18 -1.14 -0.15 0.00 -0.03 0.00 0.00 54.58 53.08 2f5y n ASN 64 Cb 0.51 -2.39 -0.04 0.00 -0.61 0.00 0.00 39.78 37.25 2f5y n ASN 64 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2f5y n GLU 65 N -4.50 -1.15 -4.59 3.52 0.00 -1.26 -5.00 120.64 107.66 2f5y n GLU 65 Ca -0.30 0.90 -0.30 0.00 0.00 0.00 0.00 57.16 57.45 2f5y n GLU 65 Cb 0.68 -5.15 -0.17 0.00 0.00 0.00 0.00 31.44 26.81 2f5y n GLU 65 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2f5y s ARG 66 N -4.04 2.55 0.16 3.44 0.52 0.43 -5.10 118.95 116.91 2f5y s ARG 66 Ca 0.00 -0.68 -0.32 0.00 -0.52 0.00 0.00 55.73 54.21 2f5y s ARG 66 Cb 0.00 -2.10 -0.11 0.00 0.52 0.00 0.00 34.95 33.27 2f5y s ARG 66 CO 0.00 -0.03 1.66 -1.25 0.02 0.00 0.00 175.30 175.70 2f5y s PRO 67 N 0.87 4.17 -0.08 3.54 0.04 -1.26 -0.17 135.00 142.11 2f5y s PRO 67 Ca -0.08 2.47 0.13 0.00 0.04 0.00 0.00 61.00 63.56 2f5y s PRO 67 Cb -0.15 -3.23 0.24 0.00 0.04 0.00 0.00 34.50 31.40 2f5y s PRO 67 CO -0.01 -0.70 1.12 1.33 0.04 0.00 0.00 177.00 178.78 2f5y n VAL 68 N 4.15 1.06 0.05 -0.36 0.24 -0.18 -4.82 118.33 118.46 2f5y n VAL 68 Ca 0.15 -1.52 0.03 0.00 -2.04 0.00 0.00 64.34 60.96 2f5y n VAL 68 Cb 0.37 0.18 0.40 0.00 -1.47 0.00 0.00 33.84 33.33 2f5y n VAL 68 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2f5y h GLU 69 N 0.32 0.41 -0.16 7.34 3.07 -1.78 -2.30 114.58 121.49 2f5y h GLU 69 Ca -0.03 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 2f5y h GLU 69 Cb 1.26 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 2f5y h GLU 69 CO 0.02 0.38 0.00 -2.39 -1.40 0.00 0.00 179.01 175.62 2f5y n HIS 70 N -4.38 0.19 -3.06 4.33 1.44 -1.26 -2.17 115.22 110.31 2f5y n HIS 70 Ca 0.01 -0.10 -0.34 0.00 -2.01 0.00 0.00 57.72 55.28 2f5y n HIS 70 Cb 0.16 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.21 2f5y n HIS 70 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2f5y s TRP 71 N -1.81 3.47 0.55 -1.40 0.52 -0.86 -4.54 118.94 114.88 2f5y s TRP 71 Ca 0.34 1.36 -0.17 0.00 0.02 0.00 0.00 56.10 57.65 2f5y s TRP 71 Cb 0.19 -2.63 -0.06 0.00 -1.15 0.00 0.00 33.47 29.83 2f5y s TRP 71 CO 0.29 0.15 1.04 0.15 0.02 0.00 0.00 176.95 178.60 2f5y s LYS 72 N -2.62 3.56 0.18 4.98 -0.14 -1.26 0.05 119.74 124.49 2f5y s LYS 72 Ca 0.51 1.19 -0.21 0.00 -1.36 0.00 0.00 55.97 56.10 2f5y s LYS 72 Cb -0.13 -2.07 0.11 0.00 -1.68 0.00 0.00 37.83 34.07 2f5y s LYS 72 CO 0.18 -0.61 1.59 0.00 -0.76 0.00 0.00 175.35 175.75 2f5y h VAL 74 N -0.17 0.95 -0.13 0.00 2.07 -1.93 -0.72 116.25 116.32 2f5y h VAL 74 Ca 0.22 -0.82 -0.22 0.00 0.82 0.00 0.00 66.70 66.70 2f5y h VAL 74 Cb 0.55 1.47 0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2f5y h VAL 74 CO -0.66 0.22 -0.80 -0.33 0.02 0.00 0.00 177.57 176.02 2f5y h GLU 75 N 0.00 0.77 -0.31 1.57 5.08 -1.79 -2.62 114.58 117.28 2f5y h GLU 75 Ca -0.00 -0.65 -0.05 0.00 -1.00 0.00 0.00 59.36 57.66 2f5y h GLU 75 Cb 0.45 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2f5y h GLU 75 CO 0.03 1.26 -0.00 1.25 -1.00 0.00 0.00 179.01 180.54 2f5y h LEU 76 N 0.49 0.53 -0.82 1.33 5.85 -0.79 -2.63 115.31 119.27 2f5y h LEU 76 Ca -0.06 -0.31 0.10 0.00 0.84 0.00 0.00 57.88 58.45 2f5y h LEU 76 Cb 1.43 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 42.24 2f5y h LEU 76 CO 0.16 0.71 0.46 0.00 -0.34 0.00 0.00 178.44 179.44 2f5y h ALA 77 N 0.84 1.18 -0.45 1.25 0.00 -1.23 0.16 119.26 121.00 2f5y h ALA 77 Ca 0.09 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2f5y h ALA 77 Cb 0.44 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2f5y h ALA 77 CO 0.02 0.06 -0.03 1.25 0.00 0.00 0.00 179.25 180.55 2f5y h HIS 78 N 0.76 0.90 -0.36 0.00 -0.00 -1.27 -2.30 115.15 112.88 2f5y h HIS 78 Ca 0.40 -0.17 -0.09 0.00 -0.00 0.00 0.00 60.37 60.51 2f5y h HIS 78 Cb 0.41 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 2f5y h HIS 78 CO -0.07 0.88 -0.14 1.49 -0.00 0.00 0.00 177.93 180.09 2f5y h GLU 79 N 0.66 0.74 -0.64 5.26 4.57 -1.16 -3.04 114.58 120.97 2f5y h GLU 79 Ca 0.13 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 57.98 2f5y h GLU 79 Cb 0.54 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 2f5y h GLU 79 CO 0.03 0.91 0.33 0.82 -1.18 0.00 0.00 179.01 179.93 2f5y h ILE 80 N 0.53 1.20 0.00 2.32 2.04 -0.90 -2.73 117.51 119.97 2f5y h ILE 80 Ca 0.09 -0.51 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 2f5y h ILE 80 Cb 0.67 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2f5y h ILE 80 CO 0.05 0.22 -0.20 0.03 0.00 0.00 0.00 178.15 178.25 2f5y h ARG 81 N 0.89 0.00 -0.00 2.37 3.08 -1.30 -2.61 114.38 116.82 2f5y h ARG 81 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2f5y h ARG 81 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2f5y h ARG 81 CO -0.03 0.20 -0.28 -1.13 -1.07 0.00 0.00 179.97 177.66 2f5y n SER 82 N -3.64 0.43 -4.63 7.04 3.41 -1.03 -4.80 113.62 110.39 2f5y n SER 82 Ca -0.01 -0.19 -0.43 0.00 -0.26 0.00 0.00 58.87 57.97 2f5y n SER 82 Cb 0.33 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 2f5y n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2f5y h PRO 84 N 8.20 0.12 0.00 0.00 0.13 -1.88 -3.43 132.00 135.14 2f5y h PRO 84 Ca -0.21 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2f5y h PRO 84 Cb 1.07 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2f5y h PRO 84 CO 1.02 1.09 -0.50 0.43 -0.23 0.00 0.00 178.00 179.81 2f5y n SER 85 N -3.43 1.37 -3.90 1.44 7.64 -1.26 -4.82 113.62 110.65 2f5y n SER 85 Ca -0.04 0.21 -0.10 0.00 1.01 0.00 0.00 58.87 59.96 2f5y n SER 85 Cb 0.97 -0.54 -0.06 0.00 -1.01 0.00 0.00 64.21 63.58 2f5y n SER 85 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2f5y s GLU 86 N -2.31 1.23 0.10 1.43 -1.05 -1.26 -0.26 118.70 116.58 2f5y s GLU 86 Ca -0.15 -1.09 0.06 0.00 -0.15 0.00 0.00 54.97 53.64 2f5y s GLU 86 Cb 0.02 0.42 -0.03 0.00 -0.44 0.00 0.00 34.13 34.10 2f5y s GLU 86 CO 0.22 -0.47 -0.15 0.96 0.95 0.00 0.00 175.26 176.76 2f5y s ILE 87 N -3.94 1.27 -0.18 1.83 -4.36 -0.66 -4.96 121.20 110.19 2f5y s ILE 87 Ca 0.15 -1.52 0.01 0.00 -0.26 0.00 0.00 60.65 59.03 2f5y s ILE 87 Cb 0.02 -1.34 0.02 0.00 1.25 0.00 0.00 42.46 42.42 2f5y s ILE 87 CO -0.00 -0.30 -0.19 -0.63 0.24 0.00 0.00 174.94 174.06 2f5y s ILE 88 N -1.66 2.05 -0.16 8.37 1.01 -1.26 0.54 121.20 130.09 2f5y s ILE 88 Ca 0.04 -0.97 -0.07 0.00 0.00 0.00 0.00 60.65 59.65 2f5y s ILE 88 Cb -0.08 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 2f5y s ILE 88 CO 0.03 0.51 0.09 -0.76 0.00 0.00 0.00 174.94 174.80 2f5y s LEU 89 N 1.28 4.01 -0.22 2.97 1.43 0.94 -1.09 118.68 128.01 2f5y s LEU 89 Ca 0.04 0.22 -0.13 0.00 -1.03 0.00 0.00 54.13 53.23 2f5y s LEU 89 Cb -0.13 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 2f5y s LEU 89 CO -0.13 0.26 0.25 -0.22 0.23 0.00 0.00 176.35 176.74 2f5y s LEU 90 N -0.12 4.14 0.04 1.79 2.96 -0.31 -0.46 118.68 126.71 2f5y s LEU 90 Ca 0.08 0.28 0.07 0.00 -0.22 0.00 0.00 54.13 54.34 2f5y s LEU 90 Cb -0.12 -2.26 -0.02 0.00 0.50 0.00 0.00 46.19 44.28 2f5y s LEU 90 CO 0.01 0.02 -0.20 0.68 -1.32 0.00 0.00 176.35 175.53 2f5y s VAL 91 N 1.10 1.64 -0.16 1.68 -7.23 0.26 -0.79 120.40 116.90 2f5y s VAL 91 Ca 0.12 -1.18 -0.19 0.00 -1.81 0.00 0.00 61.98 58.92 2f5y s VAL 91 Cb -0.14 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 2f5y s VAL 91 CO 0.05 0.20 0.51 -1.66 -0.31 0.00 0.00 175.10 173.90 2f5y s TRP 92 N -0.80 3.44 -0.02 2.82 1.48 0.49 -1.07 118.94 125.29 2f5y s TRP 92 Ca 0.07 0.85 0.03 0.00 -1.06 0.00 0.00 56.10 55.99 2f5y s TRP 92 Cb -0.09 -2.63 -0.00 0.00 -1.16 0.00 0.00 33.47 29.59 2f5y s TRP 92 CO 0.02 0.02 -0.12 0.50 -4.06 0.00 0.00 176.95 173.30 2f5y s ARG 93 N 1.19 1.15 -0.27 3.25 3.52 0.12 -1.35 118.95 126.57 2f5y s ARG 93 Ca 0.26 -0.42 -0.08 0.00 -0.13 0.00 0.00 55.73 55.36 2f5y s ARG 93 Cb -0.15 -1.07 -0.02 0.00 -1.56 0.00 0.00 34.95 32.15 2f5y s ARG 93 CO 0.10 0.19 0.10 1.41 -0.81 0.00 0.00 175.30 176.29 2f5y s MET 94 N 0.00 3.59 0.00 5.12 1.75 -1.26 -1.69 119.30 126.81 2f5y s MET 94 Ca -0.01 -0.53 0.00 0.00 -1.25 0.00 0.00 55.69 53.91 2f5y s MET 94 Cb -0.08 -3.40 0.00 0.00 2.84 0.00 0.00 34.83 34.19 2f5y s MET 94 CO 0.00 -0.24 0.00 1.55 -0.65 0.00 0.00 175.02 175.68