#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fvt s ALA 2 N 0.00 3.07 0.37 3.04 0.00 -1.26 -5.04 121.76 121.94 2fvt s ALA 2 Ca 0.00 -1.85 0.08 0.00 0.00 0.00 0.00 51.96 50.19 2fvt s ALA 2 Cb 0.00 -2.31 -0.06 0.00 0.00 0.00 0.00 23.12 20.75 2fvt s ALA 2 CO 0.00 -1.41 0.00 -0.65 0.00 0.00 0.00 175.76 173.71 2fvt s GLN 3 N 1.38 2.00 -1.11 0.00 -0.21 -1.26 -5.04 119.66 115.42 2fvt s GLN 3 Ca -0.01 -1.90 -0.22 0.00 0.02 0.00 0.00 55.36 53.26 2fvt s GLN 3 Cb -0.20 -1.81 -0.00 0.00 1.00 0.00 0.00 33.01 32.00 2fvt s GLN 3 CO 0.02 0.06 1.77 0.50 -2.12 0.00 0.00 175.29 175.52 2fvt s ARG 4 N -3.71 3.17 -0.04 2.91 3.52 -1.26 -4.88 118.95 118.66 2fvt s ARG 4 Ca 0.35 -1.17 -0.08 0.00 -0.13 0.00 0.00 55.73 54.69 2fvt s ARG 4 Cb 0.03 -5.31 0.01 0.00 -1.56 0.00 0.00 34.95 28.13 2fvt s ARG 4 CO 0.19 -2.96 0.19 0.45 -0.81 0.00 0.00 175.30 172.36 2fvt s SER 5 N 5.89 -0.11 0.00 -2.12 0.15 -1.26 -5.02 113.70 111.22 2fvt s SER 5 Ca 0.60 0.12 0.26 0.00 0.70 0.00 0.00 55.95 57.63 2fvt s SER 5 Cb -0.01 0.32 0.74 0.00 -1.71 0.00 0.00 66.02 65.36 2fvt s SER 5 CO 0.03 -0.24 1.56 -0.62 1.20 0.00 0.00 173.24 175.17 2fvt n GLU 6 N 2.13 0.62 -3.78 5.44 1.02 -1.26 -4.53 120.64 120.29 2fvt n GLU 6 Ca -0.18 -0.35 -0.30 0.00 -0.02 0.00 0.00 57.16 56.31 2fvt n GLU 6 Cb 0.57 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 30.36 2fvt n GLU 6 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2fvt s ILE 7 N -2.62 1.45 -0.28 -3.67 1.01 -1.26 -4.98 121.20 110.85 2fvt s ILE 7 Ca 0.21 -2.24 0.02 0.00 0.00 0.00 0.00 60.65 58.65 2fvt s ILE 7 Cb 0.19 -2.04 0.41 0.00 0.01 0.00 0.00 42.46 41.02 2fvt s ILE 7 CO 0.56 -0.78 1.56 -0.81 0.00 0.00 0.00 174.94 175.46 2fvt n PRO 8 N 4.00 1.78 -1.79 2.79 -0.04 -1.26 -4.91 135.00 135.56 2fvt n PRO 8 Ca 0.04 -1.83 -0.01 0.00 -0.04 0.00 0.00 63.50 61.67 2fvt n PRO 8 Cb 0.37 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 2fvt n PRO 8 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2fvt n HIS 9 N -0.49 -0.76 -1.73 0.54 1.44 -1.26 -4.99 115.22 107.97 2fvt n HIS 9 Ca 0.36 -0.22 -0.39 0.00 -2.01 0.00 0.00 57.72 55.46 2fvt n HIS 9 Cb 1.21 0.11 0.03 0.00 0.12 0.00 0.00 29.99 31.46 2fvt n HIS 9 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 2fvt n PHE 10 N -0.12 2.31 0.23 -1.40 3.01 -1.26 -4.82 117.46 115.41 2fvt n PHE 10 Ca -0.00 0.45 0.00 0.00 1.01 0.00 0.00 57.45 58.90 2fvt n PHE 10 Cb 0.10 -2.38 0.00 0.00 -0.01 0.00 0.00 39.48 37.18 2fvt n PHE 10 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2fvt n PRO 11 N -0.57 0.51 -3.87 -1.08 -0.04 -1.26 -4.64 135.00 124.04 2fvt n PRO 11 Ca 0.08 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.25 2fvt n PRO 11 Cb 0.43 -1.25 0.03 0.00 -0.04 0.00 0.00 33.50 32.67 2fvt n PRO 11 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2fvt n ARG 12 N 1.11 -5.88 -3.34 0.54 1.74 -1.26 -4.94 116.66 104.63 2fvt n ARG 12 Ca 0.00 0.63 -0.36 0.00 -0.77 0.00 0.00 57.85 57.35 2fvt n ARG 12 Cb 0.25 -5.54 -0.06 0.00 -1.02 0.00 0.00 32.46 26.09 2fvt n ARG 12 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2fvt s THR 13 N -3.31 4.84 0.00 0.55 -1.32 -1.26 -4.95 115.64 110.18 2fvt s THR 13 Ca 0.64 0.93 0.00 0.00 -1.21 0.00 0.00 61.69 62.05 2fvt s THR 13 Cb -0.32 -3.78 0.00 0.00 -1.51 0.00 0.00 72.50 66.90 2fvt s THR 13 CO 0.82 0.34 0.70 0.00 -2.21 0.00 0.00 174.62 174.27 2fvt n ALA 14 N 1.10 2.04 -2.68 11.08 0.00 -1.26 -4.78 120.51 126.01 2fvt n ALA 14 Ca -0.07 -0.70 -0.44 0.00 0.00 0.00 0.00 53.44 52.23 2fvt n ALA 14 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 2fvt n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fvt s ALA 15 N -0.46 3.42 -0.49 0.00 0.00 -1.26 -4.88 121.76 118.09 2fvt s ALA 15 Ca 0.00 -1.68 -0.28 0.00 0.00 0.00 0.00 51.96 49.99 2fvt s ALA 15 Cb 0.00 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.92 2fvt s ALA 15 CO 0.00 -1.83 1.34 0.42 0.00 0.00 0.00 175.76 175.69 2fvt s ILE 16 N 2.36 3.93 0.03 0.00 1.01 -1.26 -4.92 121.20 122.35 2fvt s ILE 16 Ca 0.13 0.89 -0.29 0.00 0.00 0.00 0.00 60.65 61.39 2fvt s ILE 16 Cb -0.19 -4.41 -0.16 0.00 0.01 0.00 0.00 42.46 37.71 2fvt s ILE 16 CO 0.12 -1.00 1.23 -0.78 0.00 0.00 0.00 174.94 174.51 2fvt h ASP 17 N 10.44 -0.87 -5.16 3.58 3.58 -1.93 -3.47 116.42 122.59 2fvt h ASP 17 Ca -0.26 0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.12 2fvt h ASP 17 Cb 1.09 0.23 -0.15 0.00 1.72 0.00 0.00 39.33 42.22 2fvt h ASP 17 CO 1.14 -0.53 -0.43 0.00 -2.88 0.00 0.00 179.24 176.53 2fvt s ALA 18 N -5.16 -0.11 -0.25 -0.78 0.00 0.19 -5.02 121.76 110.63 2fvt s ALA 18 Ca -0.15 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 2fvt s ALA 18 Cb 0.02 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.57 2fvt s ALA 18 CO 0.45 -0.46 -0.04 -0.47 0.00 0.00 0.00 175.76 175.24 2fvt s TYR 19 N -3.65 3.07 0.04 0.00 5.04 -1.26 -1.12 117.35 119.47 2fvt s TYR 19 Ca 0.04 -1.47 0.00 0.00 -2.44 0.00 0.00 57.07 53.20 2fvt s TYR 19 Cb 0.04 -2.08 0.00 0.00 0.35 0.00 0.00 41.96 40.27 2fvt s TYR 19 CO -0.10 -0.71 0.01 0.41 -1.34 0.00 0.00 175.55 173.83 2fvt n GLY 20 N 4.69 3.69 3.63 8.97 0.00 -1.06 -4.98 105.19 120.13 2fvt n GLY 20 Ca -0.16 -2.21 -0.41 0.00 0.00 0.00 0.00 46.02 43.24 2fvt n GLY 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fvt s LYS 21 N -2.17 4.10 0.00 1.61 2.20 -1.26 -3.56 119.74 120.66 2fvt s LYS 21 Ca 0.01 0.55 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 2fvt s LYS 21 Cb -0.00 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 2fvt s LYS 21 CO 0.01 -0.43 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 2fvt n GLY 22 N 4.16 1.69 0.00 5.54 0.00 -1.26 -5.01 105.19 110.31 2fvt n GLY 22 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2fvt n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fvt n GLY 23 N -0.92 -0.64 3.82 -0.02 0.00 -1.23 -4.28 105.19 101.92 2fvt n GLY 23 Ca 0.00 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 2fvt n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fvt s PHE 24 N -2.43 3.20 -0.03 1.61 0.08 0.38 -2.56 117.98 118.23 2fvt s PHE 24 Ca 0.00 1.44 0.01 0.00 0.12 0.00 0.00 56.93 58.50 2fvt s PHE 24 Cb 0.00 -2.88 0.02 0.00 -0.57 0.00 0.00 43.02 39.59 2fvt s PHE 24 CO 0.00 -0.98 -0.01 -0.47 -0.10 0.00 0.00 175.22 173.66 2fvt s TYR 25 N -2.81 0.35 0.31 0.36 5.04 -0.28 -1.79 117.35 118.54 2fvt s TYR 25 Ca 0.60 -0.03 0.03 0.00 -2.44 0.00 0.00 57.07 55.22 2fvt s TYR 25 Cb -0.14 -0.40 -0.02 0.00 0.35 0.00 0.00 41.96 41.76 2fvt s TYR 25 CO 0.45 -0.11 0.31 -0.59 -1.34 0.00 0.00 175.55 174.27 2fvt s PHE 26 N 0.81 1.43 -0.39 4.97 -0.12 -1.22 -0.64 117.98 122.82 2fvt s PHE 26 Ca -0.08 -1.49 -0.27 0.00 -0.05 0.00 0.00 56.93 55.04 2fvt s PHE 26 Cb -0.12 -0.50 -0.06 0.00 -0.63 0.00 0.00 43.02 41.72 2fvt s PHE 26 CO -0.01 -0.91 2.30 0.00 -0.05 0.00 0.00 175.22 176.55 2fvt s ALA 27 N -3.48 2.07 0.00 1.99 0.00 -1.26 -4.09 121.76 116.99 2fvt s ALA 27 Ca 0.37 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2fvt s ALA 27 Cb 0.02 -4.24 0.00 0.00 0.00 0.00 0.00 23.12 18.90 2fvt s ALA 27 CO 0.23 -3.80 0.00 0.41 0.00 0.00 0.00 175.76 172.59 2fvt n GLY 28 N 5.89 1.55 3.88 0.00 0.00 -1.26 -5.05 105.19 110.20 2fvt n GLY 28 Ca 0.33 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 2fvt n GLY 28 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2fvt s MET 29 N 0.00 3.77 0.07 1.61 -2.45 -1.26 -5.07 119.30 115.97 2fvt s MET 29 Ca 0.00 0.30 -0.02 0.00 -1.25 0.00 0.00 55.69 54.71 2fvt s MET 29 Cb 0.00 -2.56 0.01 0.00 1.25 0.00 0.00 34.83 33.53 2fvt s MET 29 CO 0.00 0.18 0.14 -1.13 1.05 0.00 0.00 175.02 175.26 2fvt n SER 30 N -0.67 -0.40 -1.07 1.11 3.41 -1.26 -3.41 113.62 111.33 2fvt n SER 30 Ca 0.01 -1.30 -0.11 0.00 -0.26 0.00 0.00 58.87 57.21 2fvt n SER 30 Cb 0.53 0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 65.12 2fvt n SER 30 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2fvt n HIS 31 N -0.10 -0.26 -3.15 7.33 -0.00 -0.74 -4.97 115.22 113.34 2fvt n HIS 31 Ca -0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.27 2fvt n HIS 31 Cb 0.11 -2.35 -0.06 0.00 -0.00 0.00 0.00 29.99 27.69 2fvt n HIS 31 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 2fvt s GLN 32 N -3.73 3.15 -0.07 1.57 -0.21 -1.22 -4.67 119.66 114.49 2fvt s GLN 32 Ca 0.00 -0.77 -0.16 0.00 0.02 0.00 0.00 55.36 54.45 2fvt s GLN 32 Cb 0.00 -4.06 -0.30 0.00 1.00 0.00 0.00 33.01 29.65 2fvt s GLN 32 CO 0.00 -1.17 0.69 0.78 -2.12 0.00 0.00 175.29 173.47 2fvt h GLY 33 N 9.71 0.36 -7.08 3.09 0.00 -1.91 0.11 103.07 107.35 2fvt h GLY 33 Ca -0.27 -0.93 -0.67 0.00 0.00 0.00 0.00 47.33 45.46 2fvt h GLY 33 CO 0.94 0.82 -0.73 -0.45 0.00 0.00 0.00 176.54 177.12 2fvt s SER 34 N -7.13 4.36 -0.02 0.19 0.15 -1.26 -0.24 113.70 109.74 2fvt s SER 34 Ca -0.17 -0.80 0.03 0.00 0.70 0.00 0.00 55.95 55.71 2fvt s SER 34 Cb 0.04 -1.69 -0.00 0.00 -1.71 0.00 0.00 66.02 62.66 2fvt s SER 34 CO 0.82 -0.12 -0.09 -0.76 1.20 0.00 0.00 173.24 174.29 2fvt s LEU 35 N 1.36 1.86 -0.47 3.45 1.43 -0.51 -1.24 118.68 124.57 2fvt s LEU 35 Ca 0.01 -0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 52.84 2fvt s LEU 35 Cb -0.16 -0.52 0.12 0.00 0.03 0.00 0.00 46.19 45.65 2fvt s LEU 35 CO -0.04 0.08 0.35 -0.22 0.23 0.00 0.00 176.35 176.75 2fvt s LEU 36 N 0.05 5.67 -0.64 1.79 2.96 0.13 -0.72 118.68 127.92 2fvt s LEU 36 Ca -0.01 -1.85 -0.26 0.00 -0.22 0.00 0.00 54.13 51.79 2fvt s LEU 36 Cb -0.07 -2.02 0.04 0.00 0.50 0.00 0.00 46.19 44.64 2fvt s LEU 36 CO 0.00 -0.69 1.12 -0.36 -1.32 0.00 0.00 176.35 175.10 2fvt s PHE 37 N 1.39 2.55 0.30 5.38 0.40 0.98 -1.54 117.98 127.43 2fvt s PHE 37 Ca 0.05 -0.04 -0.10 0.00 -0.60 0.00 0.00 56.93 56.24 2fvt s PHE 37 Cb -0.26 -4.41 -0.07 0.00 0.51 0.00 0.00 43.02 38.79 2fvt s PHE 37 CO -0.00 -1.72 0.63 -0.51 0.70 0.00 0.00 175.22 174.32 2fvt s LEU 38 N 4.81 4.05 0.00 -0.37 1.43 -0.72 -0.50 118.68 127.39 2fvt s LEU 38 Ca 0.33 0.98 0.00 0.00 -1.03 0.00 0.00 54.13 54.41 2fvt s LEU 38 Cb -0.11 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.32 2fvt s LEU 38 CO 0.17 -0.19 0.96 -2.65 0.23 0.00 0.00 176.35 174.87 2fvt n PRO 39 N -0.60 0.50 0.00 1.29 -0.02 -1.25 -2.66 135.00 132.25 2fvt n PRO 39 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2fvt n PRO 39 Cb 0.53 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 2fvt n PRO 39 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2fvt n ASP 40 N 1.67 0.00 -3.82 2.55 2.03 -1.26 -4.90 116.55 112.82 2fvt n ASP 40 Ca 0.00 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 2fvt n ASP 40 Cb 0.25 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.55 2fvt n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2fvt s ALA 41 N -0.78 -0.53 -0.21 -1.67 0.00 -1.09 -4.48 121.76 113.01 2fvt s ALA 41 Ca 0.00 0.24 -0.13 0.00 0.00 0.00 0.00 51.96 52.08 2fvt s ALA 41 Cb 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 2fvt s ALA 41 CO 0.00 -0.19 0.25 0.08 0.00 0.00 0.00 175.76 175.90 2fvt s VAL 42 N -0.88 5.31 0.17 0.00 1.01 -1.26 -1.76 120.40 122.98 2fvt s VAL 42 Ca -0.10 0.41 0.11 0.00 0.00 0.00 0.00 61.98 62.40 2fvt s VAL 42 Cb -0.05 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 2fvt s VAL 42 CO 0.02 0.34 -0.24 0.26 0.00 0.00 0.00 175.10 175.47 2fvt s TRP 43 N 0.93 2.33 -0.10 5.22 0.52 -0.59 -4.80 118.94 122.45 2fvt s TRP 43 Ca 0.13 -0.36 -0.25 0.00 0.02 0.00 0.00 56.10 55.64 2fvt s TRP 43 Cb -0.13 -1.19 -0.03 0.00 -1.15 0.00 0.00 33.47 30.97 2fvt s TRP 43 CO 0.05 0.44 0.81 0.20 0.02 0.00 0.00 176.95 178.47 2fvt s GLY 44 N -2.44 2.44 0.22 0.98 0.00 -1.26 0.19 107.32 107.44 2fvt s GLY 44 Ca 0.18 0.16 -0.05 0.00 0.00 0.00 0.00 44.72 45.02 2fvt s GLY 44 CO 0.09 1.50 0.47 0.86 0.00 0.00 0.00 173.10 176.01 2fvt s TRP 45 N 1.45 3.46 -0.83 1.90 -0.00 -0.37 -4.78 118.94 119.77 2fvt s TRP 45 Ca 0.40 0.62 0.15 0.00 -0.00 0.00 0.00 56.10 57.28 2fvt s TRP 45 Cb -0.18 -2.07 0.70 0.00 -0.00 0.00 0.00 33.47 31.92 2fvt s TRP 45 CO 0.17 0.31 1.59 -3.47 -0.00 0.00 0.00 176.95 175.55 2fvt n ASP 46 N -0.38 4.77 -4.08 5.86 2.03 -1.26 -4.64 116.55 118.84 2fvt n ASP 46 Ca -0.02 -2.59 -0.35 0.00 0.52 0.00 0.00 54.79 52.36 2fvt n ASP 46 Cb 0.53 -0.60 -0.12 0.00 -0.72 0.00 0.00 41.12 40.21 2fvt n ASP 46 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2fvt s VAL 47 N -2.14 3.23 -0.03 5.18 1.01 -1.26 -4.91 120.40 121.47 2fvt s VAL 47 Ca 0.48 -2.55 0.11 0.00 0.00 0.00 0.00 61.98 60.02 2fvt s VAL 47 Cb 0.33 -3.19 -0.23 0.00 0.00 0.00 0.00 36.38 33.29 2fvt s VAL 47 CO 0.19 -0.76 0.71 0.74 0.00 0.00 0.00 175.10 175.98 2fvt h THR 48 N 5.92 0.91 -3.57 3.92 2.02 -1.96 -3.44 112.91 116.71 2fvt h THR 48 Ca -0.07 -2.75 -0.67 0.00 0.77 0.00 0.00 66.41 63.69 2fvt h THR 48 Cb 0.99 2.46 -0.25 0.00 -1.74 0.00 0.00 68.15 69.61 2fvt h THR 48 CO 0.68 0.54 -0.76 -0.54 0.37 0.00 0.00 175.52 175.81 2fvt s LYS 49 N -2.61 3.09 1.33 6.66 1.02 -1.26 -4.83 119.74 123.14 2fvt s LYS 49 Ca -0.05 -0.67 -0.18 0.00 0.02 0.00 0.00 55.97 55.09 2fvt s LYS 49 Cb 0.08 -2.57 0.33 0.00 -0.52 0.00 0.00 37.83 35.16 2fvt s LYS 49 CO 0.82 0.38 0.90 -2.30 -0.92 0.00 0.00 175.35 174.22 2fvt n PRO 50 N 3.05 -3.65 -0.20 -1.68 -0.02 -1.26 -3.69 135.00 127.55 2fvt n PRO 50 Ca -0.18 -1.06 0.00 0.00 -2.02 0.00 0.00 63.50 60.24 2fvt n PRO 50 Cb 0.53 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 2fvt n PRO 50 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2fvt n GLU 51 N -5.23 0.00 -0.71 -0.52 4.07 -1.26 -4.80 120.64 112.20 2fvt n GLU 51 Ca 0.07 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.15 2fvt n GLU 51 Cb 0.57 -2.20 0.23 0.00 -0.06 0.00 0.00 31.44 29.98 2fvt n GLU 51 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2fvt n GLN 52 N -2.00 3.14 -2.83 5.31 6.02 -1.24 -4.85 117.38 120.93 2fvt n GLN 52 Ca 0.00 -2.17 -0.43 0.00 -0.01 0.00 0.00 57.00 54.39 2fvt n GLN 52 Cb 0.00 -1.97 -0.04 0.00 1.02 0.00 0.00 30.24 29.25 2fvt n GLN 52 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2fvt s ILE 53 N -2.26 4.30 0.32 5.09 1.01 -1.26 -4.74 121.20 123.65 2fvt s ILE 53 Ca 0.39 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 61.00 2fvt s ILE 53 Cb 0.31 -4.65 -0.05 0.00 0.01 0.00 0.00 42.46 38.08 2fvt s ILE 53 CO 0.10 -1.37 0.11 -0.62 0.00 0.00 0.00 174.94 173.16 2fvt s ASP 54 N 3.38 1.89 0.35 3.58 2.15 -1.26 -4.99 116.67 121.77 2fvt s ASP 54 Ca 0.26 -1.49 0.09 0.00 0.43 0.00 0.00 52.55 51.84 2fvt s ASP 54 Cb -0.15 0.23 0.82 0.00 -0.30 0.00 0.00 42.92 43.52 2fvt s ASP 54 CO 0.14 -0.78 1.87 0.03 -0.17 0.00 0.00 175.17 176.25 2fvt h ARG 55 N 2.15 0.67 -0.43 4.34 3.08 -1.94 0.53 114.38 122.78 2fvt h ARG 55 Ca -0.37 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.61 2fvt h ARG 55 Cb 1.25 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.13 2fvt h ARG 55 CO 0.60 0.45 0.16 -0.92 -1.07 0.00 0.00 179.97 179.18 2fvt h TYR 56 N 0.69 0.67 -0.20 3.04 3.20 -1.96 -1.13 116.97 121.28 2fvt h TYR 56 Ca 0.45 -0.06 -0.11 0.00 3.14 0.00 0.00 58.73 62.16 2fvt h TYR 56 Cb 0.73 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 2fvt h TYR 56 CO -0.00 0.59 -0.33 0.77 -1.64 0.00 0.00 178.16 177.54 2fvt h SER 57 N 0.55 0.42 -0.66 -2.11 0.02 -1.39 -2.84 113.55 107.55 2fvt h SER 57 Ca 0.14 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2fvt h SER 57 Cb 0.21 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2fvt h SER 57 CO -0.01 0.74 0.00 0.18 -1.14 0.00 0.00 176.83 176.60 2fvt n LEU 58 N -4.07 4.85 -0.08 5.07 4.77 0.01 -4.48 117.00 123.07 2fvt n LEU 58 Ca -0.01 -2.45 0.02 0.00 -0.03 0.00 0.00 56.01 53.55 2fvt n LEU 58 Cb 0.45 -0.59 0.35 0.00 -2.33 0.00 0.00 43.42 41.30 2fvt n LEU 58 CO 0.42 0.80 1.16 -0.61 -1.33 0.00 0.00 177.39 177.84 2fvt h GLN 59 N 4.15 0.70 -0.02 3.23 4.15 -0.95 0.29 115.11 126.66 2fvt h GLN 59 Ca 0.00 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.30 2fvt h GLN 59 Cb 1.49 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 29.02 2fvt h GLN 59 CO 0.25 0.49 -0.32 -0.09 -1.93 0.00 0.00 178.83 177.22 2fvt h ARG 60 N 0.71 0.03 -0.54 1.69 2.43 -1.82 -2.20 114.38 114.69 2fvt h ARG 60 Ca 0.19 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.24 2fvt h ARG 60 Cb -0.04 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 2fvt h ARG 60 CO -0.04 0.36 -0.08 0.28 -1.51 0.00 0.00 179.97 178.98 2fvt h VAL 61 N 0.03 1.26 -0.33 0.20 2.07 -1.27 0.56 116.25 118.78 2fvt h VAL 61 Ca 0.00 -1.22 -0.06 0.00 0.82 0.00 0.00 66.70 66.24 2fvt h VAL 61 Cb 0.59 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2fvt h VAL 61 CO 0.04 0.43 -0.06 -0.26 0.02 0.00 0.00 177.57 177.75 2fvt h PHE 62 N 0.89 0.57 -0.02 1.57 0.04 -1.01 -1.73 116.94 117.25 2fvt h PHE 62 Ca 0.15 -0.07 -0.15 0.00 2.80 0.00 0.00 57.97 60.69 2fvt h PHE 62 Cb 0.63 -0.16 0.01 0.00 2.20 0.00 0.00 35.95 38.63 2fvt h PHE 62 CO 0.04 0.59 -0.58 -0.44 -0.60 0.00 0.00 178.31 177.32 2fvt h ASP 63 N 0.51 0.55 -0.44 2.17 3.32 -0.93 -3.23 116.42 118.37 2fvt h ASP 63 Ca 0.10 -0.74 -0.11 0.00 0.02 0.00 0.00 57.03 56.31 2fvt h ASP 63 Cb 0.42 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 39.73 2fvt h ASP 63 CO 0.02 1.21 0.14 0.59 -1.72 0.00 0.00 179.24 179.48 2fvt n ASN 64 N -4.22 3.74 0.31 6.45 4.13 0.15 -4.45 115.26 121.36 2fvt n ASN 64 Ca -0.10 -2.71 0.17 0.00 1.68 0.00 0.00 54.58 53.62 2fvt n ASN 64 Cb 0.66 -0.65 1.00 0.00 -1.54 0.00 0.00 39.78 39.25 2fvt n ASN 64 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2fvt h ALA 65 N 2.58 1.38 0.00 5.41 0.00 -1.33 -0.28 119.26 127.02 2fvt h ALA 65 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2fvt h ALA 65 Cb 1.66 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2fvt h ALA 65 CO 0.43 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.77 2fvt n ASN 66 N -3.64 0.00 0.00 0.00 3.02 -1.26 -2.39 115.26 110.99 2fvt n ASN 66 Ca -0.03 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 2fvt n ASN 66 Cb 0.08 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 2fvt n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2fvt n ALA 67 N -1.05 1.72 -4.03 5.41 0.00 -0.13 -5.00 120.51 117.42 2fvt n ALA 67 Ca 0.18 -0.61 -0.32 0.00 0.00 0.00 0.00 53.44 52.69 2fvt n ALA 67 Cb 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.41 2fvt n ALA 67 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2fvt s ILE 68 N -0.36 2.24 -0.23 0.00 1.01 -1.00 -4.45 121.20 118.41 2fvt s ILE 68 Ca 0.00 -1.48 -0.17 0.00 0.00 0.00 0.00 60.65 59.00 2fvt s ILE 68 Cb 0.00 -2.25 -0.13 0.00 0.01 0.00 0.00 42.46 40.09 2fvt s ILE 68 CO 0.00 0.06 -0.13 -0.67 0.00 0.00 0.00 174.94 174.21 2fvt n ASP 69 N 4.48 1.90 -4.44 3.58 2.03 0.17 -4.53 116.55 119.74 2fvt n ASP 69 Ca -0.15 0.40 -0.33 0.00 0.52 0.00 0.00 54.79 55.23 2fvt n ASP 69 Cb 0.44 -0.87 -0.13 0.00 -0.72 0.00 0.00 41.12 39.83 2fvt n ASP 69 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2fvt s THR 70 N -2.47 3.30 -0.40 5.18 2.01 -1.04 -0.41 115.64 121.80 2fvt s THR 70 Ca -0.31 -0.59 -0.02 0.00 0.31 0.00 0.00 61.69 61.07 2fvt s THR 70 Cb 0.09 -2.38 0.11 0.00 0.01 0.00 0.00 72.50 70.33 2fvt s THR 70 CO 0.49 0.54 0.18 -0.22 -0.69 0.00 0.00 174.62 174.92 2fvt s LEU 71 N 0.01 5.14 -0.30 4.42 2.96 0.12 -0.28 118.68 130.74 2fvt s LEU 71 Ca -0.03 -2.00 -0.19 0.00 -0.22 0.00 0.00 54.13 51.70 2fvt s LEU 71 Cb -0.14 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 2fvt s LEU 71 CO 0.04 -0.51 0.57 -0.63 -1.32 0.00 0.00 176.35 174.49 2fvt s ILE 72 N 1.13 4.99 -0.29 6.68 1.01 0.44 -0.29 121.20 134.86 2fvt s ILE 72 Ca 0.08 0.76 -0.07 0.00 0.00 0.00 0.00 60.65 61.42 2fvt s ILE 72 Cb -0.22 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.31 2fvt s ILE 72 CO -0.04 -0.08 0.08 -0.69 0.00 0.00 0.00 174.94 174.20 2fvt s VAL 73 N 2.47 4.02 -0.59 2.92 1.01 0.13 -0.27 120.40 130.09 2fvt s VAL 73 Ca 0.23 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 2fvt s VAL 73 Cb -0.15 -3.05 0.09 0.00 0.00 0.00 0.00 36.38 33.26 2fvt s VAL 73 CO 0.11 0.11 0.75 -0.83 0.00 0.00 0.00 175.10 175.24 2fvt s GLY 74 N 1.51 1.68 -0.49 4.51 0.00 0.90 -0.62 107.32 114.81 2fvt s GLY 74 Ca 0.03 -2.04 -0.01 0.00 0.00 0.00 0.00 44.72 42.69 2fvt s GLY 74 CO 0.03 1.67 2.04 -1.30 0.00 0.00 0.00 173.10 175.54 2fvt n THR 75 N 5.65 3.20 -2.21 0.90 -2.24 -0.80 -2.10 114.28 116.68 2fvt n THR 75 Ca -0.08 -2.30 0.00 0.00 -2.27 0.00 0.00 64.05 59.41 2fvt n THR 75 Cb 0.44 -1.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 2fvt n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fvt n GLY 76 N -0.25 0.57 1.26 3.38 0.00 -1.25 -3.79 105.19 105.11 2fvt n GLY 76 Ca 0.46 -1.12 0.11 0.00 0.00 0.00 0.00 46.02 45.47 2fvt n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fvt n ALA 77 N 6.06 2.38 -2.72 4.61 0.00 -1.26 -0.22 120.51 129.36 2fvt n ALA 77 Ca 0.00 -1.30 -0.18 0.00 0.00 0.00 0.00 53.44 51.96 2fvt n ALA 77 Cb 0.00 -0.86 -0.12 0.00 0.00 0.00 0.00 19.45 18.47 2fvt n ALA 77 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2fvt s ASP 78 N -1.00 1.57 -0.49 0.00 2.15 -1.25 -5.01 116.67 112.64 2fvt s ASP 78 Ca 0.46 -0.58 -0.25 0.00 0.43 0.00 0.00 52.55 52.60 2fvt s ASP 78 Cb 0.24 -0.05 0.03 0.00 -0.30 0.00 0.00 42.92 42.84 2fvt s ASP 78 CO 0.30 -0.07 0.95 -0.69 -0.17 0.00 0.00 175.17 175.49 2fvt s VAL 79 N -1.21 4.41 -0.25 1.11 1.01 -1.26 -4.55 120.40 119.66 2fvt s VAL 79 Ca -0.02 0.64 -0.18 0.00 0.00 0.00 0.00 61.98 62.41 2fvt s VAL 79 Cb -0.10 -4.49 -0.03 0.00 0.00 0.00 0.00 36.38 31.77 2fvt s VAL 79 CO 0.02 -0.95 0.53 0.86 0.00 0.00 0.00 175.10 175.56 2fvt s TRP 80 N 3.91 3.29 -0.30 5.22 -0.00 -1.26 -5.04 118.94 124.75 2fvt s TRP 80 Ca 0.36 0.69 -0.23 0.00 -0.00 0.00 0.00 56.10 56.92 2fvt s TRP 80 Cb -0.10 -2.73 -0.00 0.00 -0.00 0.00 0.00 33.47 30.63 2fvt s TRP 80 CO 0.25 -0.26 0.75 0.42 -0.00 0.00 0.00 176.95 178.11 2fvt s ILE 81 N 2.23 4.83 0.08 5.86 1.01 -1.26 -4.88 121.20 129.07 2fvt s ILE 81 Ca 0.22 1.13 -0.30 0.00 0.00 0.00 0.00 60.65 61.70 2fvt s ILE 81 Cb -0.16 -4.11 -0.06 0.00 0.01 0.00 0.00 42.46 38.15 2fvt s ILE 81 CO 0.09 -0.21 1.17 0.00 0.00 0.00 0.00 174.94 175.99 2fvt s ALA 82 N 2.86 3.38 0.44 9.38 0.00 -1.26 -4.99 121.76 131.56 2fvt s ALA 82 Ca 0.31 0.83 -0.24 0.00 0.00 0.00 0.00 51.96 52.86 2fvt s ALA 82 Cb -0.14 -3.42 -0.10 0.00 0.00 0.00 0.00 23.12 19.46 2fvt s ALA 82 CO 0.12 -0.39 1.08 -0.35 0.00 0.00 0.00 175.76 176.23 2fvt n PRO 83 N 3.62 1.47 0.21 0.00 -0.04 -1.26 -4.73 135.00 134.27 2fvt n PRO 83 Ca 0.08 0.53 0.06 0.00 -0.04 0.00 0.00 63.50 64.12 2fvt n PRO 83 Cb 0.46 -2.15 0.52 0.00 -0.04 0.00 0.00 33.50 32.30 2fvt n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fvt h ARG 84 N 1.60 0.07 0.04 0.54 3.08 -1.98 0.92 114.38 118.65 2fvt h ARG 84 Ca -0.46 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.58 2fvt h ARG 84 Cb 1.33 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.37 2fvt h ARG 84 CO 0.57 0.17 -0.02 1.96 -1.07 0.00 0.00 179.97 181.58 2fvt h GLN 85 N 0.07 -0.05 -0.44 0.04 1.08 -1.99 0.09 115.11 113.90 2fvt h GLN 85 Ca 0.01 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.14 2fvt h GLN 85 Cb 0.21 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 2fvt h GLN 85 CO 0.01 0.07 -0.02 1.25 -0.95 0.00 0.00 178.83 179.19 2fvt h LEU 86 N -0.16 0.78 -0.35 1.46 5.85 -1.70 -1.83 115.31 119.38 2fvt h LEU 86 Ca -0.01 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 2fvt h LEU 86 Cb 0.14 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2fvt h LEU 86 CO 0.01 0.92 0.08 -0.09 -0.34 0.00 0.00 178.44 179.02 2fvt h ARG 87 N 0.63 0.56 -0.35 1.25 2.43 -0.80 -1.74 114.38 116.37 2fvt h ARG 87 Ca 0.12 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 2fvt h ARG 87 Cb 0.53 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 2fvt h ARG 87 CO 0.03 0.61 -0.10 1.49 -1.51 0.00 0.00 179.97 180.49 2fvt h GLU 88 N 0.40 0.59 0.24 0.20 4.81 -0.94 0.40 114.58 120.29 2fvt h GLU 88 Ca 0.11 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2fvt h GLU 88 Cb 0.31 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2fvt h GLU 88 CO 0.00 0.68 -0.12 0.00 -0.73 0.00 0.00 179.01 178.84 2fvt h ALA 89 N 1.35 -0.33 -0.85 2.92 0.00 -1.03 0.13 119.26 121.45 2fvt h ALA 89 Ca 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2fvt h ALA 89 Cb 0.50 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2fvt h ALA 89 CO 0.03 -0.69 0.47 -0.07 0.00 0.00 0.00 179.25 178.99 2fvt h LEU 90 N -0.33 1.06 -1.12 0.00 3.38 -1.11 -1.96 115.31 115.22 2fvt h LEU 90 Ca -0.03 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.87 2fvt h LEU 90 Cb 0.26 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 2fvt h LEU 90 CO 0.05 0.84 0.60 -0.09 0.09 0.00 0.00 178.44 179.93 2fvt h ARG 91 N 1.19 1.17 0.00 1.13 2.43 -0.53 -0.38 114.38 119.39 2fvt h ARG 91 Ca 0.30 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 2fvt h ARG 91 Cb 0.02 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 2fvt h ARG 91 CO -0.05 0.77 -0.17 0.78 -1.51 0.00 0.00 179.97 179.79 2fvt h GLY 92 N 1.20 0.00 -0.67 2.80 0.00 -0.01 -1.36 103.07 105.03 2fvt h GLY 92 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2fvt h GLY 92 CO -0.08 0.00 0.00 -0.62 0.00 0.00 0.00 176.54 175.84 2fvt n VAL 93 N -3.40 0.25 -1.05 4.60 0.31 -0.37 -4.86 118.33 113.81 2fvt n VAL 93 Ca -0.00 -0.28 -0.02 0.00 -0.01 0.00 0.00 64.34 64.03 2fvt n VAL 93 Cb 0.36 0.16 -0.01 0.00 -0.91 0.00 0.00 33.84 33.44 2fvt n VAL 93 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2fvt n ASN 94 N 0.10 -3.72 -4.52 4.52 4.05 -0.51 -4.95 115.26 110.23 2fvt n ASN 94 Ca 0.11 0.04 -0.42 0.00 0.45 0.00 0.00 54.58 54.76 2fvt n ASN 94 Cb 0.22 -1.37 -0.09 0.00 1.23 0.00 0.00 39.78 39.77 2fvt n ASN 94 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2fvt s VAL 95 N -1.89 5.12 -0.62 3.44 1.01 -0.30 -4.71 120.40 122.47 2fvt s VAL 95 Ca 0.00 -0.09 -0.27 0.00 0.00 0.00 0.00 61.98 61.62 2fvt s VAL 95 Cb 0.00 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.48 2fvt s VAL 95 CO 0.00 -0.23 1.40 -0.69 0.00 0.00 0.00 175.10 175.58 2fvt s VAL 96 N 2.09 3.75 -0.10 2.92 1.01 0.45 -3.13 120.40 127.39 2fvt s VAL 96 Ca 0.12 0.57 -0.30 0.00 0.00 0.00 0.00 61.98 62.38 2fvt s VAL 96 Cb -0.17 -4.55 -0.02 0.00 0.00 0.00 0.00 36.38 31.64 2fvt s VAL 96 CO 0.13 -1.35 1.10 -0.22 0.00 0.00 0.00 175.10 174.75 2fvt s LEU 97 N 6.17 4.24 -0.10 3.92 2.96 -1.26 0.12 118.68 134.73 2fvt s LEU 97 Ca 0.48 1.64 -0.02 0.00 -0.22 0.00 0.00 54.13 56.01 2fvt s LEU 97 Cb -0.10 -3.55 0.04 0.00 0.50 0.00 0.00 46.19 43.08 2fvt s LEU 97 CO 0.22 -0.54 0.03 -0.62 -1.32 0.00 0.00 176.35 174.12 2fvt s ASP 98 N 1.31 1.88 -0.13 3.68 -1.08 0.60 -4.92 116.67 118.00 2fvt s ASP 98 Ca 0.51 -0.28 -0.06 0.00 -0.52 0.00 0.00 52.55 52.20 2fvt s ASP 98 Cb -0.21 -0.39 -0.04 0.00 -1.46 0.00 0.00 42.92 40.83 2fvt s ASP 98 CO 0.18 -0.25 0.10 -0.89 0.52 0.00 0.00 175.17 174.84 2fvt s THR 99 N 2.01 5.20 0.11 1.71 2.01 -1.26 -0.69 115.64 124.72 2fvt s THR 99 Ca 0.03 0.09 -0.18 0.00 0.31 0.00 0.00 61.69 61.95 2fvt s THR 99 Cb -0.14 -3.27 0.04 0.00 0.01 0.00 0.00 72.50 69.15 2fvt s THR 99 CO -0.06 0.58 0.44 -0.32 -0.69 0.00 0.00 174.62 174.57 2fvt s MET 100 N -0.73 1.07 0.45 4.92 1.75 0.21 -4.91 119.30 122.06 2fvt s MET 100 Ca 0.13 -0.59 -0.24 0.00 -1.25 0.00 0.00 55.69 53.74 2fvt s MET 100 Cb -0.12 0.48 -0.07 0.00 2.84 0.00 0.00 34.83 37.95 2fvt s MET 100 CO 0.03 -0.41 1.28 -0.65 -0.65 0.00 0.00 175.02 174.61 2fvt s GLN 101 N -3.48 3.71 0.28 4.11 -0.21 -1.26 -1.91 119.66 120.89 2fvt s GLN 101 Ca 0.01 2.08 0.01 0.00 0.02 0.00 0.00 55.36 57.47 2fvt s GLN 101 Cb 0.01 -2.54 0.57 0.00 1.00 0.00 0.00 33.01 32.05 2fvt s GLN 101 CO -0.10 -0.68 1.80 1.15 -2.12 0.00 0.00 175.29 175.34 2fvt h THR 102 N 2.06 0.82 0.18 -0.19 2.02 -0.85 0.95 112.91 117.91 2fvt h THR 102 Ca -0.50 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 2fvt h THR 102 Cb 1.26 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2fvt h THR 102 CO 0.61 0.15 -0.14 1.23 0.37 0.00 0.00 175.52 177.74 2fvt h GLY 103 N 0.83 -0.70 1.78 2.16 0.00 -1.91 -0.30 103.07 104.92 2fvt h GLY 103 Ca 0.50 0.30 0.02 0.00 0.00 0.00 0.00 47.33 48.15 2fvt h GLY 103 CO -0.32 -0.25 0.09 -2.55 0.00 0.00 0.00 176.54 173.52 2fvt h PRO 104 N -0.31 0.00 -0.59 4.80 0.11 -1.91 -1.85 132.00 132.26 2fvt h PRO 104 Ca -0.02 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.00 2fvt h PRO 104 Cb 0.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.34 2fvt h PRO 104 CO 0.01 0.00 0.02 0.00 -0.21 0.00 0.00 178.00 177.82 2fvt h ALA 105 N 1.90 0.79 -0.68 -0.75 0.00 -0.44 0.10 119.26 120.19 2fvt h ALA 105 Ca 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2fvt h ALA 105 Cb 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2fvt h ALA 105 CO -0.00 0.61 0.36 0.82 0.00 0.00 0.00 179.25 181.03 2fvt h ILE 106 N 0.92 1.22 0.39 0.00 2.04 -0.21 0.10 117.51 121.96 2fvt h ILE 106 Ca 0.17 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 2fvt h ILE 106 Cb 0.52 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2fvt h ILE 106 CO 0.03 0.24 -0.28 -0.09 0.00 0.00 0.00 178.15 178.05 2fvt h ARG 107 N 0.93 -0.63 -0.47 2.37 9.65 -1.15 -0.79 114.38 124.29 2fvt h ARG 107 Ca 0.24 0.04 -0.08 0.00 -1.10 0.00 0.00 59.98 59.08 2fvt h ARG 107 Cb 0.07 0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 2fvt h ARG 107 CO -0.04 -0.42 -0.03 1.79 2.80 0.00 0.00 179.97 184.07 2fvt h THR 108 N -0.66 1.27 -0.66 0.20 1.35 -0.68 -2.32 112.91 111.41 2fvt h THR 108 Ca -0.04 -1.11 0.01 0.00 -0.55 0.00 0.00 66.41 64.72 2fvt h THR 108 Cb 0.56 1.05 -0.04 0.00 -1.73 0.00 0.00 68.15 68.00 2fvt h THR 108 CO 0.01 0.39 0.43 0.22 -0.25 0.00 0.00 175.52 176.31 2fvt h TYR 109 N 0.69 0.81 -0.70 4.73 3.20 -0.77 0.80 116.97 125.73 2fvt h TYR 109 Ca 0.13 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 2fvt h TYR 109 Cb 0.55 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 2fvt h TYR 109 CO 0.04 0.49 0.38 -0.97 -1.64 0.00 0.00 178.16 176.46 2fvt h ASN 110 N 0.86 0.86 -0.23 -2.11 -0.00 -0.91 -2.24 115.58 111.82 2fvt h ASN 110 Ca 0.25 -0.07 -0.20 0.00 -0.00 0.00 0.00 56.30 56.28 2fvt h ASN 110 Cb -0.06 -0.22 0.00 0.00 -0.00 0.00 0.00 38.32 38.04 2fvt h ASN 110 CO -0.07 0.70 -0.63 0.40 -0.00 0.00 0.00 177.43 177.83 2fvt h ILE 111 N 0.98 1.28 0.00 2.57 2.04 -0.85 -3.10 117.51 120.42 2fvt h ILE 111 Ca 0.25 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 64.29 2fvt h ILE 111 Cb 0.03 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 2fvt h ILE 111 CO -0.04 0.59 0.00 0.23 0.00 0.00 0.00 178.15 178.93 2fvt n MET 112 N -4.00 0.31 0.19 2.37 2.81 0.22 -2.87 117.12 116.16 2fvt n MET 112 Ca -0.06 0.10 -0.13 0.00 -1.81 0.00 0.00 57.70 55.80 2fvt n MET 112 Cb 0.67 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.61 2fvt n MET 112 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2fvt h ILE 113 N 0.00 0.52 0.00 2.02 1.08 -1.36 0.37 117.51 120.14 2fvt h ILE 113 Ca 0.00 -0.59 0.00 0.00 -0.39 0.00 0.00 64.86 63.88 2fvt h ILE 113 Cb 0.11 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 2fvt h ILE 113 CO 0.00 0.09 0.00 0.61 -0.69 0.00 0.00 178.15 178.16 2fvt n GLY 114 N -0.23 -1.47 0.09 5.37 0.00 -1.14 -3.06 105.19 104.74 2fvt n GLY 114 Ca -0.10 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 2fvt n GLY 114 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2fvt n GLU 115 N -1.88 0.51 -0.05 1.61 2.13 -1.14 -4.91 120.64 116.92 2fvt n GLU 115 Ca 0.05 0.42 -0.05 0.00 0.66 0.00 0.00 57.16 58.24 2fvt n GLU 115 Cb 0.33 -1.61 -0.02 0.00 0.27 0.00 0.00 31.44 30.42 2fvt n GLU 115 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2fvt n ARG 116 N -4.49 0.30 -1.46 5.31 3.00 0.11 -4.97 116.66 114.46 2fvt n ARG 116 Ca -0.21 0.12 -0.16 0.00 -0.00 0.00 0.00 57.85 57.60 2fvt n ARG 116 Cb 0.51 -1.01 -0.07 0.00 0.00 0.00 0.00 32.46 31.89 2fvt n ARG 116 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2fvt n ARG 117 N -3.66 -1.38 -2.17 -0.14 0.63 0.01 -4.81 116.66 105.14 2fvt n ARG 117 Ca -0.08 1.05 -0.04 0.00 -0.92 0.00 0.00 57.85 57.86 2fvt n ARG 117 Cb 0.29 -5.36 0.05 0.00 0.45 0.00 0.00 32.46 27.90 2fvt n ARG 117 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2fvt n ARG 118 N -1.99 1.80 -5.20 -0.14 0.63 -1.26 -4.76 116.66 105.74 2fvt n ARG 118 Ca -0.16 -3.34 -0.32 0.00 -0.92 0.00 0.00 57.85 53.11 2fvt n ARG 118 Cb 0.59 -1.44 -0.17 0.00 0.45 0.00 0.00 32.46 31.89 2fvt n ARG 118 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2fvt s VAL 119 N -3.17 2.11 -0.21 5.15 0.11 -1.26 0.43 120.40 123.55 2fvt s VAL 119 Ca 0.35 -1.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.32 2fvt s VAL 119 Cb 0.36 -1.80 -0.04 0.00 -1.53 0.00 0.00 36.38 33.37 2fvt s VAL 119 CO -0.05 0.56 0.08 0.00 -3.33 0.00 0.00 175.10 172.36 2fvt s ALA 120 N 0.33 3.39 -0.31 1.54 0.00 0.61 -3.96 121.76 123.35 2fvt s ALA 120 Ca -0.18 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 2fvt s ALA 120 Cb -0.18 -2.03 0.05 0.00 0.00 0.00 0.00 23.12 20.96 2fvt s ALA 120 CO 0.09 -0.04 0.03 0.00 0.00 0.00 0.00 175.76 175.84 2fvt s ALA 121 N 0.78 2.88 -0.78 0.00 0.00 0.35 -0.42 121.76 124.57 2fvt s ALA 121 Ca 0.04 -1.78 -0.21 0.00 0.00 0.00 0.00 51.96 50.02 2fvt s ALA 121 Cb -0.13 -2.04 0.10 0.00 0.00 0.00 0.00 23.12 21.05 2fvt s ALA 121 CO 0.02 -1.30 1.02 0.00 0.00 0.00 0.00 175.76 175.50 2fvt s ALA 122 N 1.29 3.24 -0.27 0.00 0.00 0.63 -0.01 121.76 126.63 2fvt s ALA 122 Ca -0.04 -2.28 -0.08 0.00 0.00 0.00 0.00 51.96 49.56 2fvt s ALA 122 Cb -0.20 -3.93 -0.02 0.00 0.00 0.00 0.00 23.12 18.98 2fvt s ALA 122 CO -0.00 -2.85 0.10 -0.51 0.00 0.00 0.00 175.76 172.50 2fvt s LEU 123 N 3.38 3.70 -0.22 0.00 1.43 0.10 -0.07 118.68 127.00 2fvt s LEU 123 Ca 0.26 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 52.92 2fvt s LEU 123 Cb -0.12 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2fvt s LEU 123 CO 0.01 -0.10 0.08 -0.63 0.23 0.00 0.00 176.35 175.93 2fvt s ILE 124 N 1.60 4.57 0.38 -0.59 1.01 -0.89 -1.42 121.20 125.86 2fvt s ILE 124 Ca 0.05 -0.10 -0.27 0.00 0.00 0.00 0.00 60.65 60.34 2fvt s ILE 124 Cb -0.16 -3.11 -0.11 0.00 0.01 0.00 0.00 42.46 39.09 2fvt s ILE 124 CO 0.04 0.38 1.38 0.00 0.00 0.00 0.00 174.94 176.74 2fvt n ALA 125 N 4.39 1.81 -1.88 9.38 0.00 0.66 -3.89 120.51 130.98 2fvt n ALA 125 Ca -0.16 0.32 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 2fvt n ALA 125 Cb 0.52 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.60 2fvt n ALA 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2fvt s VAL 126 N -1.14 3.14 -0.29 0.00 -7.23 -1.26 -4.81 120.40 108.80 2fvt s VAL 126 Ca 0.56 0.42 -0.28 0.00 -1.81 0.00 0.00 61.98 60.88 2fvt s VAL 126 Cb -0.51 -3.27 -0.05 0.00 0.56 0.00 0.00 36.38 33.12 2fvt s VAL 126 CO 0.61 -0.02 2.17 -2.84 -0.31 0.00 0.00 175.10 174.71 2fvt s PRO 127 N 3.35 2.98 0.02 4.82 0.02 -1.26 -4.89 135.00 140.03 2fvt s PRO 127 Ca 0.77 1.78 -0.10 0.00 0.02 0.00 0.00 61.00 63.47 2fvt s PRO 127 Cb -0.39 -4.38 -0.05 0.00 0.02 0.00 0.00 34.50 29.70 2fvt s PRO 127 CO 0.34 -2.28 1.16 1.25 -0.33 0.00 0.00 177.00 177.13 2fvt h LEU 128 N 15.63 -0.34 0.00 -5.54 5.85 -2.02 -3.44 115.31 125.45 2fvt h LEU 128 Ca -0.37 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2fvt h LEU 128 Cb 1.23 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.36 2fvt h LEU 128 CO 1.01 -0.21 0.00 1.21 -0.34 0.00 0.00 178.44 180.11 2fvt n GLU 129 N -3.07 0.00 -3.61 1.25 0.00 -1.26 -3.89 120.64 110.06 2fvt n GLU 129 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.82 2fvt n GLU 129 Cb 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 31.44 31.43 2fvt n GLU 129 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2fvt s HIS 130 N 0.00 0.86 -0.21 4.31 3.76 -1.26 -4.99 115.29 117.75 2fvt s HIS 130 Ca 0.00 -1.22 -0.08 0.00 -0.15 0.00 0.00 55.06 53.62 2fvt s HIS 130 Cb 0.00 -1.22 -0.10 0.00 1.11 0.00 0.00 32.58 32.37 2fvt s HIS 130 CO 0.00 -0.85 -0.25 1.58 -0.85 0.00 0.00 174.74 174.37 2fvt n HIS 131 N 5.08 0.00 1.56 1.40 -0.00 -1.25 -4.50 115.22 117.51 2fvt n HIS 131 Ca -0.04 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.19 2fvt n HIS 131 Cb 0.42 -0.77 0.29 0.00 -0.12 0.00 0.00 29.99 29.80 2fvt n HIS 131 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2fvt n HIS 132 N -3.74 0.00 -3.64 1.57 1.44 -1.26 -4.59 115.22 105.00 2fvt n HIS 132 Ca -0.41 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.24 2fvt n HIS 132 Cb 0.82 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.86 2fvt n HIS 132 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2fvt s HIS 133 N -2.00 -0.81 0.06 -1.40 5.65 -1.26 -5.08 115.29 110.45 2fvt s HIS 133 Ca 0.14 1.68 0.00 0.00 0.25 0.00 0.00 55.06 57.13 2fvt s HIS 133 Cb 0.07 0.48 0.00 0.00 -1.18 0.00 0.00 32.58 31.94 2fvt s HIS 133 CO 0.11 -0.40 0.00 0.72 -0.65 0.00 0.00 174.74 174.52 2fvt n HIS 134 N 3.77 -0.06 -0.80 3.88 -0.00 -1.26 -4.76 115.22 115.99 2fvt n HIS 134 Ca -0.18 0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.55 2fvt n HIS 134 Cb 0.58 0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.59 2fvt n HIS 134 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06