#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2efi h SER 2 N 0.00 -0.66 -2.53 1.61 0.87 -2.10 -3.44 113.55 107.29 2efi h SER 2 Ca 0.00 0.11 0.13 0.00 -1.23 0.00 0.00 61.79 60.80 2efi h SER 2 Cb 0.00 0.30 -0.28 0.00 -0.44 0.00 0.00 62.40 61.98 2efi h SER 2 CO 0.00 -0.26 0.48 -0.44 -0.53 0.00 0.00 176.83 176.08 2efi s SER 3 N -5.01 -0.40 0.15 6.23 0.01 -1.26 -5.19 113.70 108.24 2efi s SER 3 Ca -0.15 0.66 -0.09 0.00 1.31 0.00 0.00 55.95 57.69 2efi s SER 3 Cb 0.11 1.06 -0.01 0.00 0.21 0.00 0.00 66.02 67.39 2efi s SER 3 CO 0.67 -0.11 0.26 -0.83 0.41 0.00 0.00 173.24 173.65 2efi s GLY 4 N 1.05 0.45 -0.15 3.44 0.00 -1.26 -5.15 107.32 105.71 2efi s GLY 4 Ca -0.06 -0.88 -0.02 0.00 0.00 0.00 0.00 44.72 43.76 2efi s GLY 4 CO -0.13 -0.86 0.03 -0.45 0.00 0.00 0.00 173.10 171.69 2efi s SER 5 N -2.96 2.35 -0.06 1.64 0.15 -1.26 -5.13 113.70 108.43 2efi s SER 5 Ca 0.16 -0.52 -0.00 0.00 0.70 0.00 0.00 55.95 56.28 2efi s SER 5 Cb 0.04 -0.51 -0.03 0.00 -1.71 0.00 0.00 66.02 63.81 2efi s SER 5 CO -0.01 -0.27 -0.02 -0.55 1.20 0.00 0.00 173.24 173.59 2efi s SER 6 N 1.92 5.03 0.88 5.45 0.15 -1.26 -5.12 113.70 120.76 2efi s SER 6 Ca 0.02 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.73 2efi s SER 6 Cb -0.15 -1.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.81 2efi s SER 6 CO -0.07 0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.33 2efi n GLY 7 N 2.00 -2.60 3.71 9.45 0.00 -1.26 -5.06 105.19 111.43 2efi n GLY 7 Ca -0.18 -1.41 -0.25 0.00 0.00 0.00 0.00 46.02 44.19 2efi n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2efi s MET 8 N -2.65 2.57 -0.03 1.61 1.75 -1.26 -5.13 119.30 116.16 2efi s MET 8 Ca 0.00 -1.12 0.01 0.00 -1.25 0.00 0.00 55.69 53.32 2efi s MET 8 Cb 0.00 -2.40 0.02 0.00 2.84 0.00 0.00 34.83 35.29 2efi s MET 8 CO 0.00 0.43 -0.02 0.00 -0.65 0.00 0.00 175.02 174.78 2efi s ALA 9 N -1.94 0.43 -0.49 4.11 0.00 -1.26 -5.10 121.76 117.50 2efi s ALA 9 Ca 0.30 0.05 -0.27 0.00 0.00 0.00 0.00 51.96 52.04 2efi s ALA 9 Cb -0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 2efi s ALA 9 CO 0.21 -0.02 1.79 -1.25 0.00 0.00 0.00 175.76 176.48 2efi s PRO 10 N 0.80 2.98 0.10 0.00 0.04 -1.26 -4.97 135.00 132.70 2efi s PRO 10 Ca -0.09 0.93 0.03 0.00 0.04 0.00 0.00 61.00 61.91 2efi s PRO 10 Cb -0.12 -4.28 -0.04 0.00 0.04 0.00 0.00 34.50 30.10 2efi s PRO 10 CO -0.01 -2.29 -0.09 0.15 0.04 0.00 0.00 177.00 174.80 2efi s LYS 11 N 6.32 0.86 0.05 4.56 1.02 -1.26 -5.04 119.74 126.25 2efi s LYS 11 Ca 0.71 -1.25 0.23 0.00 0.02 0.00 0.00 55.97 55.68 2efi s LYS 11 Cb -0.16 -0.42 0.07 0.00 -0.52 0.00 0.00 37.83 36.80 2efi s LYS 11 CO 0.27 0.05 1.05 0.94 -0.92 0.00 0.00 175.35 176.73 2efi n GLN 12 N 0.27 0.26 -3.59 1.68 7.27 -1.26 -4.92 117.38 117.10 2efi n GLN 12 Ca -0.14 -0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.63 2efi n GLN 12 Cb 0.59 -1.59 -0.04 0.00 2.41 0.00 0.00 30.24 31.61 2efi n GLN 12 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 2efi s ASP 13 N -3.85 6.48 1.08 1.69 1.47 -1.26 -5.10 116.67 117.19 2efi s ASP 13 Ca 0.04 0.63 -0.15 0.00 1.18 0.00 0.00 52.55 54.25 2efi s ASP 13 Cb 0.15 -2.10 0.23 0.00 -0.34 0.00 0.00 42.92 40.85 2efi s ASP 13 CO 0.80 -0.02 1.10 -2.16 0.68 0.00 0.00 175.17 175.56 2efi s PRO 14 N -2.94 -0.23 -0.06 2.11 0.04 -1.26 -5.06 135.00 127.60 2efi s PRO 14 Ca 0.42 0.29 0.01 0.00 0.04 0.00 0.00 61.00 61.77 2efi s PRO 14 Cb -0.12 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 2efi s PRO 14 CO 0.26 -3.13 -0.08 0.21 0.04 0.00 0.00 177.00 174.30 2efi s LYS 15 N -5.11 2.70 0.57 4.56 2.20 -1.26 -5.04 119.74 118.36 2efi s LYS 15 Ca 0.67 -0.58 -0.18 0.00 -0.36 0.00 0.00 55.97 55.52 2efi s LYS 15 Cb -0.16 -2.55 -0.04 0.00 -1.51 0.00 0.00 37.83 33.57 2efi s LYS 15 CO 0.57 0.65 1.12 -1.25 -0.36 0.00 0.00 175.35 176.09 2efi s PRO 16 N -0.85 3.21 -0.11 4.03 0.04 -1.26 -4.99 135.00 135.07 2efi s PRO 16 Ca 0.13 1.55 -0.08 0.00 0.04 0.00 0.00 61.00 62.64 2efi s PRO 16 Cb -0.11 -1.99 -0.27 0.00 0.04 0.00 0.00 34.50 32.17 2efi s PRO 16 CO 0.02 -0.95 0.40 0.87 0.04 0.00 0.00 177.00 177.38 2efi h LYS 17 N 0.89 0.27 -7.25 4.56 1.57 -1.99 -3.48 116.57 111.15 2efi h LYS 17 Ca -0.49 -0.47 -0.46 0.00 -1.87 0.00 0.00 60.65 57.36 2efi h LYS 17 Cb 1.26 0.17 0.10 0.00 0.08 0.00 0.00 32.23 33.84 2efi h LYS 17 CO 0.56 1.22 0.17 -0.06 -0.57 0.00 0.00 179.45 180.77 2efi s PHE 18 N -2.55 1.60 0.07 -1.35 0.40 -1.26 -5.12 117.98 109.76 2efi s PHE 18 Ca -0.22 -0.16 0.02 0.00 -0.60 0.00 0.00 56.93 55.97 2efi s PHE 18 Cb 0.06 -3.21 -0.03 0.00 0.51 0.00 0.00 43.02 40.35 2efi s PHE 18 CO 0.77 -1.89 -0.07 -0.65 0.70 0.00 0.00 175.22 174.09 2efi s GLN 19 N -5.29 0.65 0.45 0.44 -0.21 -1.26 -5.11 119.66 109.34 2efi s GLN 19 Ca 0.68 -1.04 -0.24 0.00 0.02 0.00 0.00 55.36 54.77 2efi s GLN 19 Cb -0.05 -0.18 -0.07 0.00 1.00 0.00 0.00 33.01 33.70 2efi s GLN 19 CO 0.46 -0.00 1.27 -1.21 -2.12 0.00 0.00 175.29 173.69 2efi s GLU 20 N -2.77 3.73 0.00 2.91 8.01 -1.26 -2.55 118.70 126.77 2efi s GLU 20 Ca 0.01 2.06 0.00 0.00 0.01 0.00 0.00 54.97 57.04 2efi s GLU 20 Cb -0.02 -2.55 0.00 0.00 -4.31 0.00 0.00 34.13 27.26 2efi s GLU 20 CO -0.03 -0.66 0.00 0.41 0.01 0.00 0.00 175.26 174.99 2efi n GLY 21 N 0.61 0.94 3.77 -1.39 0.00 0.34 -4.99 105.19 104.47 2efi n GLY 21 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2efi n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2efi s GLU 22 N -0.07 3.83 0.48 1.61 2.12 -1.06 -4.89 118.70 120.71 2efi s GLU 22 Ca 0.00 -0.21 -0.24 0.00 0.36 0.00 0.00 54.97 54.88 2efi s GLU 22 Cb 0.00 -3.28 -0.07 0.00 0.26 0.00 0.00 34.13 31.05 2efi s GLU 22 CO 0.00 0.49 1.31 0.50 -0.54 0.00 0.00 175.26 177.03 2efi s ARG 23 N -0.21 3.58 0.20 4.30 3.52 -1.26 -1.46 118.95 127.62 2efi s ARG 23 Ca 0.10 2.15 -0.22 0.00 -0.13 0.00 0.00 55.73 57.63 2efi s ARG 23 Cb -0.12 -2.49 0.05 0.00 -1.56 0.00 0.00 34.95 30.84 2efi s ARG 23 CO 0.01 -0.81 0.65 0.14 -0.81 0.00 0.00 175.30 174.47 2efi s VAL 24 N -1.33 0.00 -0.22 7.11 -7.23 -0.35 -4.62 120.40 113.76 2efi s VAL 24 Ca 0.64 -0.36 -0.06 0.00 -1.81 0.00 0.00 61.98 60.39 2efi s VAL 24 Cb -0.38 -1.37 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 2efi s VAL 24 CO 0.47 0.00 0.03 -0.76 -0.31 0.00 0.00 175.10 174.53 2efi s LEU 25 N -2.81 3.38 0.20 1.32 1.43 -1.24 -2.37 118.68 118.59 2efi s LEU 25 Ca 0.05 -0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 2efi s LEU 25 Cb -0.03 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 2efi s LEU 25 CO -0.06 0.03 0.43 0.00 0.23 0.00 0.00 176.35 176.98 2efi s PHE 27 N -1.85 3.35 -0.39 0.00 0.08 -1.04 -2.99 117.98 115.14 2efi s PHE 27 Ca 0.41 -1.58 0.06 0.00 0.12 0.00 0.00 56.93 55.94 2efi s PHE 27 Cb -0.11 -3.45 0.52 0.00 -0.57 0.00 0.00 43.02 39.41 2efi s PHE 27 CO 0.27 -0.96 1.61 1.58 -0.10 0.00 0.00 175.22 177.63 2efi n HIS 28 N 5.02 2.11 0.00 0.36 -0.00 -1.24 -5.05 115.22 116.43 2efi n HIS 28 Ca -0.10 -2.02 0.00 0.00 -0.00 0.00 0.00 57.72 55.59 2efi n HIS 28 Cb 0.41 -0.73 0.00 0.00 -0.00 0.00 0.00 29.99 29.67 2efi n HIS 28 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2efi n GLY 29 N -1.03 0.61 0.00 1.57 0.00 -1.26 -4.75 105.19 100.34 2efi n GLY 29 Ca 0.45 -1.93 0.05 0.00 0.00 0.00 0.00 46.02 44.59 2efi n GLY 29 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2efi n PRO 30 N 0.00 0.49 -4.18 1.61 -0.04 -1.26 -4.70 135.00 126.92 2efi n PRO 30 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 2efi n PRO 30 Cb 0.00 -1.33 -0.11 0.00 -0.04 0.00 0.00 33.50 32.02 2efi n PRO 30 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2efi s LEU 31 N -1.66 2.41 -0.05 1.53 1.43 -1.26 -4.80 118.68 116.29 2efi s LEU 31 Ca 0.15 -0.83 -0.04 0.00 -1.03 0.00 0.00 54.13 52.39 2efi s LEU 31 Cb 0.07 -0.28 -0.04 0.00 0.03 0.00 0.00 46.19 45.97 2efi s LEU 31 CO 0.12 -0.28 0.13 -0.76 0.23 0.00 0.00 176.35 175.79 2efi s LEU 32 N -2.49 4.20 -0.01 1.79 1.43 -1.26 -3.69 118.68 118.65 2efi s LEU 32 Ca 0.06 0.33 0.06 0.00 -1.03 0.00 0.00 54.13 53.54 2efi s LEU 32 Cb -0.02 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 2efi s LEU 32 CO -0.00 0.32 -0.19 -0.31 0.23 0.00 0.00 176.35 176.40 2efi s TYR 33 N -1.16 1.68 0.26 0.29 1.51 -1.16 -4.86 117.35 113.91 2efi s TYR 33 Ca 0.21 -0.32 -0.30 0.00 -1.01 0.00 0.00 57.07 55.65 2efi s TYR 33 Cb -0.12 -1.07 -0.10 0.00 -0.11 0.00 0.00 41.96 40.56 2efi s TYR 33 CO 0.11 -0.02 1.33 -2.00 -1.11 0.00 0.00 175.55 173.87 2efi s GLU 34 N -0.52 4.36 0.28 -0.62 2.12 -1.26 -2.79 118.70 120.27 2efi s GLU 34 Ca 0.07 2.16 -0.20 0.00 0.36 0.00 0.00 54.97 57.36 2efi s GLU 34 Cb -0.07 -3.13 0.06 0.00 0.26 0.00 0.00 34.13 31.24 2efi s GLU 34 CO -0.00 -0.25 0.87 0.00 -0.54 0.00 0.00 175.26 175.33 2efi s ALA 35 N -0.40 -1.18 -0.00 6.30 0.00 -1.00 -2.85 121.76 122.63 2efi s ALA 35 Ca 0.54 -0.44 -0.03 0.00 0.00 0.00 0.00 51.96 52.04 2efi s ALA 35 Cb -0.39 0.72 -0.00 0.00 0.00 0.00 0.00 23.12 23.45 2efi s ALA 35 CO 0.45 -1.03 0.05 0.21 0.00 0.00 0.00 175.76 175.44 2efi s LYS 36 N -2.70 0.25 -0.05 0.00 2.36 -1.25 -1.21 119.74 117.15 2efi s LYS 36 Ca 0.16 -0.27 -0.29 0.00 -2.55 0.00 0.00 55.97 53.01 2efi s LYS 36 Cb -0.04 0.10 -0.07 0.00 -1.05 0.00 0.00 37.83 36.77 2efi s LYS 36 CO 0.08 -0.05 1.93 0.00 1.55 0.00 0.00 175.35 178.86 2efi n VAL 38 N 6.06 1.46 -3.73 0.00 0.31 0.22 -0.50 118.33 122.15 2efi n VAL 38 Ca 0.21 -0.72 -0.10 0.00 -0.01 0.00 0.00 64.34 63.73 2efi n VAL 38 Cb 0.42 -0.97 -0.04 0.00 -0.91 0.00 0.00 33.84 32.34 2efi n VAL 38 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2efi s LYS 39 N -2.51 1.28 -0.26 5.55 1.02 -1.14 -4.81 119.74 118.87 2efi s LYS 39 Ca -0.22 -0.85 -0.02 0.00 0.02 0.00 0.00 55.97 54.90 2efi s LYS 39 Cb 0.07 0.49 0.08 0.00 -0.52 0.00 0.00 37.83 37.96 2efi s LYS 39 CO 0.72 -0.53 0.08 0.08 -0.92 0.00 0.00 175.35 174.78 2efi s VAL 40 N -3.86 0.57 0.17 3.17 1.01 -1.26 -0.49 120.40 119.70 2efi s VAL 40 Ca 0.08 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.20 2efi s VAL 40 Cb 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 2efi s VAL 40 CO -0.05 -0.49 -0.05 0.00 0.00 0.00 0.00 175.10 174.51 2efi s ALA 41 N 1.80 3.08 -0.13 5.51 0.00 -1.07 -4.99 121.76 125.98 2efi s ALA 41 Ca 0.05 -1.40 -0.02 0.00 0.00 0.00 0.00 51.96 50.59 2efi s ALA 41 Cb -0.17 -0.88 0.04 0.00 0.00 0.00 0.00 23.12 22.11 2efi s ALA 41 CO -0.20 0.49 -0.00 0.42 0.00 0.00 0.00 175.76 176.46 2efi s ILE 42 N -1.69 0.59 0.26 0.00 1.01 -1.26 0.14 121.20 120.24 2efi s ILE 42 Ca 0.26 -0.23 -0.15 0.00 0.00 0.00 0.00 60.65 60.53 2efi s ILE 42 Cb -0.09 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.54 2efi s ILE 42 CO 0.17 0.11 0.56 -0.54 0.00 0.00 0.00 174.94 175.24 2efi s LYS 43 N 1.86 1.62 -1.00 2.79 -0.14 -0.02 -4.91 119.74 119.95 2efi s LYS 43 Ca 0.03 -1.17 -0.00 0.00 -1.36 0.00 0.00 55.97 53.47 2efi s LYS 43 Cb -0.14 0.52 0.00 0.00 -1.68 0.00 0.00 37.83 36.53 2efi s LYS 43 CO -0.07 -0.70 0.03 -0.25 -0.76 0.00 0.00 175.35 173.60 2efi n ASP 44 N -0.41 -3.71 -2.07 2.83 9.92 -1.26 0.43 116.55 122.29 2efi n ASP 44 Ca -0.02 0.18 -0.17 0.00 -0.53 0.00 0.00 54.79 54.25 2efi n ASP 44 Cb 0.61 -3.16 0.00 0.00 -0.64 0.00 0.00 41.12 37.93 2efi n ASP 44 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2efi n LYS 45 N -2.84 -1.97 -3.88 -1.24 4.76 -1.26 -4.99 118.16 106.74 2efi n LYS 45 Ca -0.13 0.80 -0.11 0.00 -2.87 0.00 0.00 58.31 56.01 2efi n LYS 45 Cb 0.60 -5.26 -0.10 0.00 -1.84 0.00 0.00 35.03 28.43 2efi n LYS 45 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2efi s GLN 46 N -4.99 0.50 -0.27 1.97 -2.07 0.17 -5.04 119.66 109.94 2efi s GLN 46 Ca 0.06 -0.46 -0.09 0.00 -1.82 0.00 0.00 55.36 53.05 2efi s GLN 46 Cb -0.03 0.21 -0.04 0.00 -1.09 0.00 0.00 33.01 32.06 2efi s GLN 46 CO 0.07 -0.12 0.13 0.08 -1.32 0.00 0.00 175.29 174.13 2efi s VAL 47 N -1.58 4.81 0.51 3.63 1.01 -1.26 -0.84 120.40 126.68 2efi s VAL 47 Ca -0.13 -0.01 0.07 0.00 0.00 0.00 0.00 61.98 61.90 2efi s VAL 47 Cb -0.07 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 33.06 2efi s VAL 47 CO 0.01 0.29 0.44 -0.54 0.00 0.00 0.00 175.10 175.30 2efi s LYS 48 N 1.69 2.32 -0.20 2.72 1.02 0.12 -1.96 119.74 125.44 2efi s LYS 48 Ca 0.07 -1.86 -0.09 0.00 0.02 0.00 0.00 55.97 54.11 2efi s LYS 48 Cb -0.16 -2.23 0.08 0.00 -0.52 0.00 0.00 37.83 35.00 2efi s LYS 48 CO 0.07 -0.54 0.47 0.71 -0.92 0.00 0.00 175.35 175.15 2efi s TYR 49 N -2.68 -0.79 -0.64 3.18 1.51 0.44 -2.58 117.35 115.78 2efi s TYR 49 Ca 0.41 1.57 -0.27 0.00 -1.01 0.00 0.00 57.07 57.77 2efi s TYR 49 Cb -0.03 0.37 -0.01 0.00 -0.11 0.00 0.00 41.96 42.18 2efi s TYR 49 CO 0.25 -0.44 1.77 0.12 -1.11 0.00 0.00 175.55 176.14 2efi s PHE 50 N 1.97 1.77 0.43 2.71 5.36 0.36 -1.61 117.98 128.96 2efi s PHE 50 Ca -0.07 0.64 -0.15 0.00 -0.96 0.00 0.00 56.93 56.39 2efi s PHE 50 Cb -0.09 -4.18 -0.08 0.00 -0.34 0.00 0.00 43.02 38.33 2efi s PHE 50 CO -0.14 -2.26 0.86 0.42 -1.46 0.00 0.00 175.22 172.64 2efi s ILE 51 N 8.55 4.62 -0.39 3.12 -1.09 -1.00 0.73 121.20 135.74 2efi s ILE 51 Ca 0.62 1.01 0.02 0.00 -2.23 0.00 0.00 60.65 60.06 2efi s ILE 51 Cb -0.12 -3.69 0.12 0.00 -1.58 0.00 0.00 42.46 37.20 2efi s ILE 51 CO 0.19 -0.49 0.17 -2.28 -1.23 0.00 0.00 174.94 171.30 2efi s HIS 52 N -2.36 2.18 -0.26 3.97 5.65 -1.15 -4.00 115.29 119.32 2efi s HIS 52 Ca 0.56 -2.32 -0.32 0.00 0.25 0.00 0.00 55.06 53.23 2efi s HIS 52 Cb -0.10 -2.02 -0.09 0.00 -1.18 0.00 0.00 32.58 29.20 2efi s HIS 52 CO 0.26 -0.83 2.16 0.66 -0.65 0.00 0.00 174.74 176.34 2efi n TYR 53 N 4.02 1.85 -1.71 3.88 4.01 -1.26 -3.84 117.16 124.10 2efi n TYR 53 Ca 0.04 0.08 -0.42 0.00 -0.16 0.00 0.00 57.90 57.44 2efi n TYR 53 Cb 0.38 -2.63 -0.01 0.00 -0.31 0.00 0.00 39.34 36.77 2efi n TYR 53 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2efi n SER 54 N 10.14 2.97 0.00 7.72 2.88 -1.13 -4.13 113.62 132.08 2efi n SER 54 Ca 0.34 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 59.09 2efi n SER 54 Cb 0.33 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.28 2efi n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2efi n GLY 55 N 0.85 1.68 3.97 0.46 0.00 -1.26 -5.00 105.19 105.89 2efi n GLY 55 Ca 0.05 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 2efi n GLY 55 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2efi s TRP 56 N 0.00 3.42 1.26 1.61 0.52 -1.26 -5.10 118.94 119.40 2efi s TRP 56 Ca 0.00 0.01 -0.19 0.00 0.02 0.00 0.00 56.10 55.94 2efi s TRP 56 Cb 0.00 -1.66 0.28 0.00 -1.15 0.00 0.00 33.47 30.94 2efi s TRP 56 CO 0.00 0.35 0.64 0.09 0.02 0.00 0.00 176.95 178.05 2efi n ASN 57 N -1.49 -3.34 -4.58 2.95 3.02 -1.26 -4.73 115.26 105.84 2efi n ASN 57 Ca -0.08 -0.56 -0.28 0.00 -0.03 0.00 0.00 54.58 53.64 2efi n ASN 57 Cb 0.57 -0.96 -0.06 0.00 -0.61 0.00 0.00 39.78 38.72 2efi n ASN 57 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2efi s LYS 58 N -4.32 2.47 0.08 3.52 1.02 -1.26 -4.36 119.74 116.89 2efi s LYS 58 Ca 0.57 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 55.54 2efi s LYS 58 Cb -0.12 -5.21 0.00 0.00 -0.52 0.00 0.00 37.83 31.98 2efi s LYS 58 CO 0.51 -3.92 0.00 0.09 -0.92 0.00 0.00 175.35 171.11 2efi n ASN 59 N 14.44 0.53 -2.21 2.83 4.13 -1.26 -4.80 115.26 128.92 2efi n ASN 59 Ca 0.44 0.12 -0.29 0.00 1.68 0.00 0.00 54.58 56.53 2efi n ASN 59 Cb 0.47 -0.12 0.10 0.00 -1.54 0.00 0.00 39.78 38.68 2efi n ASN 59 CO 0.00 0.00 0.00 1.87 0.28 0.00 0.00 177.26 179.41 2efi n TRP 60 N -3.26 2.90 -1.84 3.10 -0.00 -1.26 -4.98 117.44 112.10 2efi n TRP 60 Ca 0.00 -2.51 -0.31 0.00 -0.00 0.00 0.00 57.50 54.68 2efi n TRP 60 Cb 0.17 -1.22 0.02 0.00 -0.00 0.00 0.00 31.31 30.27 2efi n TRP 60 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 177.69 177.85 2efi s ASP 61 N -1.36 6.03 0.34 5.87 1.47 -1.26 -4.91 116.67 122.86 2efi s ASP 61 Ca 0.57 1.49 -0.11 0.00 1.18 0.00 0.00 52.55 55.68 2efi s ASP 61 Cb 0.45 -2.48 0.02 0.00 -0.34 0.00 0.00 42.92 40.58 2efi s ASP 61 CO 0.02 -1.00 0.62 -1.83 0.68 0.00 0.00 175.17 173.67 2efi s GLU 62 N -5.04 1.99 0.05 2.11 4.04 -1.26 -5.09 118.70 115.51 2efi s GLU 62 Ca 0.56 -1.50 0.03 0.00 0.04 0.00 0.00 54.97 54.09 2efi s GLU 62 Cb -0.12 0.54 -0.04 0.00 0.02 0.00 0.00 34.13 34.53 2efi s GLU 62 CO 0.52 -0.88 0.04 -1.58 -1.84 0.00 0.00 175.26 171.52 2efi s TRP 63 N -2.93 3.13 0.03 4.83 0.52 -1.26 -2.38 118.94 120.87 2efi s TRP 63 Ca 0.22 0.07 0.01 0.00 0.02 0.00 0.00 56.10 56.42 2efi s TRP 63 Cb -0.03 -1.63 -0.02 0.00 -1.15 0.00 0.00 33.47 30.64 2efi s TRP 63 CO 0.14 0.50 -0.05 0.14 0.02 0.00 0.00 176.95 177.70 2efi s VAL 64 N -1.27 0.29 0.00 4.03 -7.23 -0.63 -4.91 120.40 110.68 2efi s VAL 64 Ca 0.25 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 2efi s VAL 64 Cb -0.12 -0.39 0.00 0.00 0.56 0.00 0.00 36.38 36.43 2efi s VAL 64 CO 0.17 -0.39 0.00 -0.81 -0.31 0.00 0.00 175.10 173.76 2efi n PRO 65 N 1.71 -0.47 0.09 4.82 -0.04 -1.26 0.17 135.00 140.02 2efi n PRO 65 Ca -0.22 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.35 2efi n PRO 65 Cb 0.55 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.06 2efi n PRO 65 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2efi h GLU 66 N 0.00 0.00 0.00 0.54 4.81 -1.74 -3.31 114.58 114.87 2efi h GLU 66 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2efi h GLU 66 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2efi h GLU 66 CO 0.00 0.00 -0.60 -1.13 -0.73 0.00 0.00 179.01 176.55 2efi n SER 67 N -2.50 0.60 0.06 1.04 3.41 -1.26 -3.71 113.62 111.26 2efi n SER 67 Ca 0.01 -0.02 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 2efi n SER 67 Cb 0.51 0.23 0.03 0.00 -0.26 0.00 0.00 64.21 64.72 2efi n SER 67 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2efi n ARG 68 N -1.88 0.44 -3.87 4.33 1.74 -1.25 -4.89 116.66 111.29 2efi n ARG 68 Ca 0.04 0.05 -0.36 0.00 -0.77 0.00 0.00 57.85 56.81 2efi n ARG 68 Cb 0.40 -1.69 -0.06 0.00 -1.02 0.00 0.00 32.46 30.09 2efi n ARG 68 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2efi s VAL 69 N -3.28 5.46 0.38 1.55 1.01 -1.24 -2.50 120.40 121.77 2efi s VAL 69 Ca 0.02 0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.18 2efi s VAL 69 Cb 0.12 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2efi s VAL 69 CO 0.79 0.51 0.20 -0.76 0.00 0.00 0.00 175.10 175.83 2efi s LEU 70 N -1.38 3.25 0.00 3.92 1.43 -0.67 -4.94 118.68 120.29 2efi s LEU 70 Ca 0.20 -0.85 0.07 0.00 -1.03 0.00 0.00 54.13 52.51 2efi s LEU 70 Cb -0.12 -1.71 0.23 0.00 0.03 0.00 0.00 46.19 44.61 2efi s LEU 70 CO 0.10 -0.44 1.17 0.29 0.23 0.00 0.00 176.35 177.71 2efi n LYS 71 N -1.25 1.37 -4.04 1.70 4.01 -1.26 -3.70 118.16 114.99 2efi n LYS 71 Ca -0.01 -0.58 -0.27 0.00 -0.51 0.00 0.00 58.31 56.94 2efi n LYS 71 Cb 0.62 -1.15 -0.04 0.00 -0.51 0.00 0.00 35.03 33.96 2efi n LYS 71 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 2efi n TYR 72 N -0.05 -1.56 -4.22 2.13 4.19 -1.26 -4.94 117.16 111.45 2efi n TYR 72 Ca 0.06 0.71 -0.23 0.00 3.31 0.00 0.00 57.90 61.75 2efi n TYR 72 Cb 0.14 -3.53 -0.07 0.00 0.49 0.00 0.00 39.34 36.37 2efi n TYR 72 CO 0.00 0.00 0.00 0.14 0.91 0.00 0.00 176.86 177.91 2efi s VAL 73 N -4.06 3.06 0.15 2.97 -7.23 -1.26 -4.91 120.40 109.11 2efi s VAL 73 Ca 0.00 -1.83 -0.17 0.00 -1.81 0.00 0.00 61.98 58.18 2efi s VAL 73 Cb -0.00 -2.89 0.09 0.00 0.56 0.00 0.00 36.38 34.13 2efi s VAL 73 CO 0.91 -0.25 1.12 0.47 -0.31 0.00 0.00 175.10 177.05 2efi n ASP 74 N -1.02 -0.59 0.08 4.85 9.92 -1.26 0.25 116.55 128.78 2efi n ASP 74 Ca -0.04 1.28 -0.15 0.00 -0.53 0.00 0.00 54.79 55.34 2efi n ASP 74 Cb 0.61 -0.24 -0.09 0.00 -0.64 0.00 0.00 41.12 40.75 2efi n ASP 74 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2efi h THR 75 N 0.00 0.04 -0.27 -3.53 2.02 -2.00 0.28 112.91 109.44 2efi h THR 75 Ca 0.20 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.46 2efi h THR 75 Cb 0.38 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 2efi h THR 75 CO -0.71 0.00 0.20 0.78 0.37 0.00 0.00 175.52 176.16 2efi h ASN 76 N -0.68 0.02 -0.22 4.18 2.35 -0.88 -1.58 115.58 118.76 2efi h ASN 76 Ca 0.02 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.63 2efi h ASN 76 Cb 0.72 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.09 2efi h ASN 76 CO -0.32 0.01 -0.39 -0.07 -1.65 0.00 0.00 177.43 175.01 2efi h LEU 77 N 0.02 0.72 -1.89 1.61 3.38 0.16 -2.77 115.31 116.55 2efi h LEU 77 Ca 0.13 -0.54 0.39 0.00 0.09 0.00 0.00 57.88 57.95 2efi h LEU 77 Cb 0.49 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 2efi h LEU 77 CO -0.00 1.12 0.94 1.56 0.09 0.00 0.00 178.44 182.15 2efi h GLN 78 N 0.35 0.04 0.00 1.13 4.20 0.51 -1.92 115.11 119.42 2efi h GLN 78 Ca 0.01 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 2efi h GLN 78 Cb 0.99 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.76 2efi h GLN 78 CO 0.09 0.03 -0.28 -0.22 -0.67 0.00 0.00 178.83 177.78 2efi h LYS 79 N 0.05 0.00 -0.76 1.46 3.64 -1.57 -3.16 116.57 116.23 2efi h LYS 79 Ca 0.65 0.00 0.29 0.00 -1.27 0.00 0.00 60.65 60.33 2efi h LYS 79 Cb 2.49 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 34.20 2efi h LYS 79 CO -0.06 0.01 0.44 0.94 -2.27 0.00 0.00 179.45 178.51 2efi n GLN 80 N -4.69 -0.03 -0.03 1.90 7.27 -0.77 0.20 117.38 121.22 2efi n GLN 80 Ca -0.04 0.89 -0.15 0.00 0.07 0.00 0.00 57.00 57.77 2efi n GLN 80 Cb 0.15 -1.66 -0.12 0.00 2.41 0.00 0.00 30.24 31.02 2efi n GLN 80 CO 0.00 0.00 0.00 0.07 0.07 0.00 0.00 177.06 177.20 2efi h ARG 81 N 0.00 0.12 -0.85 3.69 0.11 -1.58 -1.57 114.38 114.29 2efi h ARG 81 Ca 0.58 -0.15 0.11 0.00 0.10 0.00 0.00 59.98 60.62 2efi h ARG 81 Cb 1.65 0.05 -0.06 0.00 1.11 0.00 0.00 29.97 32.71 2efi h ARG 81 CO -0.44 0.95 0.55 1.05 0.10 0.00 0.00 179.97 182.18 2efi h GLU 82 N -0.64 0.73 0.05 0.08 4.11 0.23 0.54 114.58 119.68 2efi h GLU 82 Ca -0.03 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.35 2efi h GLU 82 Cb 1.03 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2efi h GLU 82 CO 0.04 0.49 -0.03 -0.07 0.07 0.00 0.00 179.01 179.51 2efi h LEU 83 N 0.76 -0.06 -2.43 3.06 3.38 -0.88 0.16 115.31 119.29 2efi h LEU 83 Ca 0.40 -0.55 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2efi h LEU 83 Cb 0.52 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2efi h LEU 83 CO -0.17 0.66 -0.00 1.56 0.09 0.00 0.00 178.44 180.58 2efi h GLN 84 N -0.93 0.00 0.00 1.13 4.20 -1.00 -0.97 115.11 117.54 2efi h GLN 84 Ca -0.01 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 2efi h GLN 84 Cb 0.61 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2efi h GLN 84 CO 0.01 0.00 -1.58 0.36 -0.67 0.00 0.00 178.83 176.96 2efi n LYS 85 N -3.89 0.64 -0.07 1.46 -0.00 0.19 -4.29 118.16 112.19 2efi n LYS 85 Ca -0.03 -0.02 -0.12 0.00 -0.00 0.00 0.00 58.31 58.14 2efi n LYS 85 Cb 0.08 -1.67 -0.05 0.00 -0.00 0.00 0.00 35.03 33.39 2efi n LYS 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2efi h ALA 86 N 1.88 0.30 -3.36 0.58 0.00 0.69 -3.40 119.26 115.95 2efi h ALA 86 Ca -0.05 -0.30 -0.63 0.00 0.00 0.00 0.00 54.91 53.93 2efi h ALA 86 Cb 1.14 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 18.46 2efi h ALA 86 CO 0.01 0.15 -0.72 -0.80 0.00 0.00 0.00 179.25 177.89 2efi s ASN 87 N -6.14 4.28 -0.05 0.00 0.01 -0.96 -4.97 114.94 107.11 2efi s ASN 87 Ca -0.14 -2.25 -0.25 0.00 -0.71 0.00 0.00 52.86 49.52 2efi s ASN 87 Cb 0.07 -1.31 -0.23 0.00 0.41 0.00 0.00 41.25 40.19 2efi s ASN 87 CO 0.76 -0.34 1.04 1.56 -1.51 0.00 0.00 177.10 178.62 2efi h GLN 88 N 7.39 0.15 -0.95 -0.60 4.20 -1.78 -2.93 115.11 120.59 2efi h GLN 88 Ca -0.07 -0.16 0.04 0.00 0.06 0.00 0.00 58.65 58.53 2efi h GLN 88 Cb 0.98 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.74 2efi h GLN 88 CO 0.53 0.88 0.62 0.93 -0.67 0.00 0.00 178.83 181.12 2efi h GLU 89 N -0.51 1.15 -0.72 1.46 3.07 -1.94 0.13 114.58 117.22 2efi h GLU 89 Ca -0.02 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 58.74 2efi h GLU 89 Cb 0.95 -0.26 -0.03 0.00 -0.84 0.00 0.00 28.75 28.57 2efi h GLU 89 CO 0.04 0.76 0.32 1.96 -1.40 0.00 0.00 179.01 180.70 2efi h GLN 90 N 1.19 1.04 -0.09 2.33 1.08 -1.98 -1.73 115.11 116.95 2efi h GLN 90 Ca 0.38 -0.17 -0.05 0.00 -1.45 0.00 0.00 58.65 57.37 2efi h GLN 90 Cb 0.03 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 27.27 2efi h GLN 90 CO -0.13 0.83 -0.13 -0.92 -0.95 0.00 0.00 178.83 177.53 2efi h TYR 91 N 1.01 0.30 0.00 2.96 5.03 -1.19 -3.36 116.97 121.73 2efi h TYR 91 Ca 0.24 -0.10 0.00 0.00 2.58 0.00 0.00 58.73 61.45 2efi h TYR 91 Cb 0.15 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.37 2efi h TYR 91 CO 0.01 0.72 0.00 0.00 -1.32 0.00 0.00 178.16 177.57 2efi n ALA 92 N -2.42 -0.33 -3.94 1.82 0.00 0.38 -4.78 120.51 111.24 2efi n ALA 92 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.03 2efi n ALA 92 Cb 0.36 0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.84 2efi n ALA 92 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2efi n GLU 93 N -1.93 -0.78 0.00 0.00 1.02 -0.66 -1.45 120.64 116.85 2efi n GLU 93 Ca 0.00 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2efi n GLU 93 Cb 0.00 -3.74 0.00 0.00 -0.02 0.00 0.00 31.44 27.68 2efi n GLU 93 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2efi n GLY 94 N -1.01 3.88 3.56 0.62 0.00 -1.26 -5.09 105.19 105.89 2efi n GLY 94 Ca 0.08 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 2efi n GLY 94 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2efi s LYS 95 N 0.00 3.55 0.99 1.61 -2.85 -0.52 -5.03 119.74 117.48 2efi s LYS 95 Ca 0.00 0.15 -0.13 0.00 -1.00 0.00 0.00 55.97 54.99 2efi s LYS 95 Cb 0.00 -3.91 0.08 0.00 -2.06 0.00 0.00 37.83 31.94 2efi s LYS 95 CO 0.00 -1.15 0.49 -0.12 0.10 0.00 0.00 175.35 174.67 2efi n MET 96 N 6.98 -0.65 -3.39 1.78 0.00 -1.26 -4.49 117.12 116.09 2efi n MET 96 Ca 0.05 -0.15 -0.34 0.00 -0.00 0.00 0.00 57.70 57.26 2efi n MET 96 Cb 0.48 -1.93 -0.06 0.00 0.00 0.00 0.00 33.22 31.72 2efi n MET 96 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2efi s ARG 97 N -3.80 3.90 0.06 2.12 0.52 -1.26 -5.00 118.95 115.50 2efi s ARG 97 Ca 0.59 0.39 0.00 0.00 -0.52 0.00 0.00 55.73 56.19 2efi s ARG 97 Cb -0.20 -2.82 0.00 0.00 0.52 0.00 0.00 34.95 32.45 2efi s ARG 97 CO 0.66 0.42 0.00 0.41 0.02 0.00 0.00 175.30 176.80 2efi n GLY 98 N 0.43 -0.13 3.94 -3.53 0.00 -1.26 -5.03 105.19 99.61 2efi n GLY 98 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 2efi n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2efi n ALA 99 N -2.78 -1.58 0.00 4.61 0.00 -1.26 -5.37 120.51 114.13 2efi n ALA 99 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2efi n ALA 99 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 19.45 16.29 2efi n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50