#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 1.02 0.10 -5.12 0.00 -1.26 -5.15 121.76 111.35 2fvt s ALA 2 Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.58 2fvt s ALA 2 Cb 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 2fvt s ALA 2 CO 0.00 0.16 -0.07 -0.65 0.00 0.00 0.00 175.76 175.20 2fvt s GLN 3 N 0.23 0.84 0.42 0.00 -0.21 -1.26 -5.02 119.66 114.66 2fvt s GLN 3 Ca -0.04 -1.33 0.21 0.00 0.02 0.00 0.00 55.36 54.22 2fvt s GLN 3 Cb -0.10 -0.23 0.90 0.00 1.00 0.00 0.00 33.01 34.57 2fvt s GLN 3 CO 0.01 -0.01 1.83 -0.09 -2.12 0.00 0.00 175.29 174.91 2fvt h ARG 4 N 2.99 0.00 -2.34 2.91 9.65 -2.07 -3.47 114.38 122.05 2fvt h ARG 4 Ca -0.35 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.22 2fvt h ARG 4 Cb 1.17 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.74 2fvt h ARG 4 CO 0.64 0.29 -0.40 0.43 2.80 0.00 0.00 179.97 183.73 2fvt n SER 5 N -3.59 -4.67 -3.58 -3.80 7.64 -1.26 -4.89 113.62 99.47 2fvt n SER 5 Ca -0.01 -0.04 -0.41 0.00 1.01 0.00 0.00 58.87 59.43 2fvt n SER 5 Cb 0.42 -3.77 -0.01 0.00 -1.01 0.00 0.00 64.21 59.84 2fvt n SER 5 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2fvt n GLU 6 N -2.56 3.27 -2.39 1.43 0.28 -1.26 -4.89 120.64 114.52 2fvt n GLU 6 Ca -0.17 -2.55 -0.30 0.00 -0.16 0.00 0.00 57.16 53.98 2fvt n GLU 6 Cb 0.63 -3.07 -0.01 0.00 1.43 0.00 0.00 31.44 30.42 2fvt n GLU 6 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 2fvt s ILE 7 N 2.50 4.77 -0.30 3.84 -4.36 -1.26 -4.96 121.20 121.42 2fvt s ILE 7 Ca 0.55 0.65 -0.37 0.00 -0.26 0.00 0.00 60.65 61.22 2fvt s ILE 7 Cb 0.15 -3.82 -0.13 0.00 1.25 0.00 0.00 42.46 39.91 2fvt s ILE 7 CO -0.07 -0.87 2.03 -2.65 0.24 0.00 0.00 174.94 173.62 2fvt n PRO 8 N -2.14 1.19 -2.84 0.37 -0.02 -1.26 -4.92 135.00 125.38 2fvt n PRO 8 Ca 0.04 0.38 -0.32 0.00 -2.02 0.00 0.00 63.50 61.58 2fvt n PRO 8 Cb 0.54 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 2fvt n PRO 8 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2fvt s HIS 9 N 5.84 3.42 -0.25 6.00 3.76 -1.26 -5.06 115.29 127.75 2fvt s HIS 9 Ca 1.05 1.24 -0.07 0.00 -0.15 0.00 0.00 55.06 57.13 2fvt s HIS 9 Cb -0.92 -2.58 -0.02 0.00 1.11 0.00 0.00 32.58 30.17 2fvt s HIS 9 CO 0.55 -0.10 0.05 -0.06 -0.85 0.00 0.00 174.74 174.32 2fvt s PHE 10 N -2.29 3.06 -1.15 1.40 0.08 -1.26 -4.93 117.98 112.89 2fvt s PHE 10 Ca 0.55 -0.59 -0.21 0.00 0.12 0.00 0.00 56.93 56.80 2fvt s PHE 10 Cb -0.10 -2.21 -0.06 0.00 -0.57 0.00 0.00 43.02 40.08 2fvt s PHE 10 CO 0.25 -0.42 1.91 -2.30 -0.10 0.00 0.00 175.22 174.56 2fvt n PRO 11 N 4.89 2.00 -3.04 0.24 -0.02 -1.26 -1.16 135.00 136.65 2fvt n PRO 11 Ca -0.16 -2.53 -0.10 0.00 -2.02 0.00 0.00 63.50 58.69 2fvt n PRO 11 Cb 0.51 -3.50 0.01 0.00 -0.02 0.00 0.00 33.50 30.50 2fvt n PRO 11 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2fvt n ARG 12 N 7.91 -1.96 -3.61 -0.52 0.63 -0.96 -4.89 116.66 113.27 2fvt n ARG 12 Ca 0.47 1.78 -0.37 0.00 -0.92 0.00 0.00 57.85 58.81 2fvt n ARG 12 Cb 0.45 -5.11 -0.07 0.00 0.45 0.00 0.00 32.46 28.18 2fvt n ARG 12 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2fvt s THR 13 N -2.63 5.30 -0.35 5.15 -1.32 -1.26 -4.95 115.64 115.58 2fvt s THR 13 Ca 0.17 0.51 0.13 0.00 -1.21 0.00 0.00 61.69 61.29 2fvt s THR 13 Cb -0.04 -3.59 -0.17 0.00 -1.51 0.00 0.00 72.50 67.19 2fvt s THR 13 CO 0.78 0.46 0.44 0.00 -2.21 0.00 0.00 174.62 174.09 2fvt n ALA 14 N 3.02 3.17 -2.86 11.08 0.00 -1.26 -4.89 120.51 128.76 2fvt n ALA 14 Ca -0.14 -0.35 -0.44 0.00 0.00 0.00 0.00 53.44 52.52 2fvt n ALA 14 Cb 0.52 -0.47 -0.05 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.53 3.29 -0.20 0.00 0.00 -1.26 -4.97 121.76 116.09 2fvt s ALA 15 Ca 0.01 -1.81 -0.05 0.00 0.00 0.00 0.00 51.96 50.10 2fvt s ALA 15 Cb 0.09 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 2fvt s ALA 15 CO 0.54 -2.35 0.01 0.42 0.00 0.00 0.00 175.76 174.39 2fvt s ILE 16 N 3.21 4.11 -0.13 0.00 1.01 -1.26 -4.88 121.20 123.26 2fvt s ILE 16 Ca 0.18 -0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.49 2fvt s ILE 16 Cb -0.19 -2.86 -0.05 0.00 0.01 0.00 0.00 42.46 39.37 2fvt s ILE 16 CO 0.11 0.43 -0.00 0.44 0.00 0.00 0.00 174.94 175.92 2fvt h ASP 17 N 7.34 0.00 -4.34 3.58 3.32 -1.96 -3.48 116.42 120.88 2fvt h ASP 17 Ca -0.35 -0.12 -0.23 0.00 0.02 0.00 0.00 57.03 56.35 2fvt h ASP 17 Cb 1.18 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.48 2fvt h ASP 17 CO 0.62 0.75 -0.72 0.00 -1.72 0.00 0.00 179.24 178.17 2fvt s ALA 18 N -2.59 0.18 0.06 3.45 0.00 -0.78 -5.06 121.76 117.02 2fvt s ALA 18 Ca -0.11 -0.35 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 2fvt s ALA 18 Cb 0.01 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.19 2fvt s ALA 18 CO 0.21 -0.05 0.27 1.52 0.00 0.00 0.00 175.76 177.71 2fvt s TYR 19 N -0.73 -0.04 0.00 0.00 1.13 -1.26 0.00 117.35 116.46 2fvt s TYR 19 Ca -0.07 -0.17 0.00 0.00 -1.41 0.00 0.00 57.07 55.42 2fvt s TYR 19 Cb -0.05 0.06 0.00 0.00 -1.10 0.00 0.00 41.96 40.87 2fvt s TYR 19 CO -0.00 -0.51 0.00 0.41 -2.51 0.00 0.00 175.55 172.94 2fvt n GLY 20 N 0.44 1.93 0.22 5.49 0.00 -0.75 -4.73 105.19 107.80 2fvt n GLY 20 Ca -0.18 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 2fvt n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fvt h LYS 21 N 0.00 -0.36 -0.71 1.61 1.57 -1.93 -3.25 116.57 113.51 2fvt h LYS 21 Ca 0.00 0.02 -0.51 0.00 -1.87 0.00 0.00 60.65 58.29 2fvt h LYS 21 Cb 0.00 0.08 -0.42 0.00 0.08 0.00 0.00 32.23 31.98 2fvt h LYS 21 CO 0.00 -0.24 -0.83 0.41 -0.57 0.00 0.00 179.45 178.22 2fvt n GLY 22 N -1.23 6.02 3.07 3.86 0.00 -1.26 -4.79 105.19 110.86 2fvt n GLY 22 Ca -0.04 -2.51 0.00 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.71 -1.84 3.58 -0.02 0.00 -1.22 -4.43 105.19 100.55 2fvt n GLY 23 Ca 0.41 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 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 0.00 2.91 -0.45 1.61 0.08 -0.57 -1.82 117.98 119.75 2fvt s PHE 24 Ca 0.00 0.56 -0.04 0.00 0.12 0.00 0.00 56.93 57.57 2fvt s PHE 24 Cb 0.00 -4.08 0.12 0.00 -0.57 0.00 0.00 43.02 38.49 2fvt s PHE 24 CO 0.00 -1.11 0.26 -0.47 -0.10 0.00 0.00 175.22 173.80 2fvt s TYR 25 N 3.95 3.54 -0.04 0.36 6.14 0.10 -3.34 117.35 128.06 2fvt s TYR 25 Ca 0.41 -2.36 -0.03 0.00 0.64 0.00 0.00 57.07 55.73 2fvt s TYR 25 Cb -0.09 -3.27 0.02 0.00 0.42 0.00 0.00 41.96 39.03 2fvt s TYR 25 CO 0.27 -0.96 0.10 -0.59 0.64 0.00 0.00 175.55 175.00 2fvt s PHE 26 N 1.02 -0.10 -0.51 4.97 -0.71 -1.18 -1.87 117.98 119.60 2fvt s PHE 26 Ca 0.09 0.28 0.00 0.00 -1.04 0.00 0.00 56.93 56.26 2fvt s PHE 26 Cb -0.23 -0.01 0.00 0.00 -1.21 0.00 0.00 43.02 41.57 2fvt s PHE 26 CO -0.04 -0.07 0.00 0.00 -1.34 0.00 0.00 175.22 173.77 2fvt n ALA 27 N 3.35 -0.07 -0.00 1.99 0.00 -1.26 -2.44 120.51 122.07 2fvt n ALA 27 Ca -0.16 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2fvt n ALA 27 Cb 0.57 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2fvt n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fvt n GLY 28 N -0.72 0.13 3.93 0.00 0.00 -1.26 -5.07 105.19 102.20 2fvt n GLY 28 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.96 2.92 -0.16 1.61 0.00 -1.02 -5.07 119.30 116.61 2fvt s MET 29 Ca 0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 55.69 55.40 2fvt s MET 29 Cb 0.00 -2.34 0.04 0.00 0.00 0.00 0.00 34.83 32.53 2fvt s MET 29 CO 0.00 -0.62 0.41 -1.12 0.00 0.00 0.00 175.02 173.70 2fvt s SER 30 N -4.29 -0.44 -0.29 1.11 0.01 -1.24 -3.08 113.70 105.47 2fvt s SER 30 Ca 0.53 0.84 -0.23 0.00 1.31 0.00 0.00 55.95 58.40 2fvt s SER 30 Cb -0.10 0.84 0.16 0.00 0.21 0.00 0.00 66.02 67.13 2fvt s SER 30 CO 0.43 -0.15 1.23 -2.28 0.41 0.00 0.00 173.24 172.88 2fvt s HIS 31 N 0.35 -0.26 -0.48 2.43 5.04 -1.21 -4.92 115.29 116.25 2fvt s HIS 31 Ca -0.01 0.60 -0.19 0.00 -1.54 0.00 0.00 55.06 53.91 2fvt s HIS 31 Cb -0.04 0.38 0.05 0.00 0.04 0.00 0.00 32.58 33.01 2fvt s HIS 31 CO -0.01 -0.12 0.59 -0.65 -2.34 0.00 0.00 174.74 172.21 2fvt s GLN 32 N 0.36 3.14 0.00 2.88 -1.52 -1.26 -1.52 119.66 121.75 2fvt s GLN 32 Ca 0.02 -0.79 0.00 0.00 -1.95 0.00 0.00 55.36 52.65 2fvt s GLN 32 Cb -0.05 -4.05 0.00 0.00 -0.22 0.00 0.00 33.01 28.69 2fvt s GLN 32 CO -0.12 -1.12 0.00 0.41 -0.25 0.00 0.00 175.29 174.21 2fvt n GLY 33 N 5.14 0.84 3.47 3.09 0.00 -1.26 -4.97 105.19 111.50 2fvt n GLY 33 Ca -0.06 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 2fvt n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fvt s SER 34 N 0.58 4.47 0.07 1.61 0.01 -1.26 -0.47 113.70 118.71 2fvt s SER 34 Ca 0.00 -0.18 0.09 0.00 1.31 0.00 0.00 55.95 57.17 2fvt s SER 34 Cb 0.00 -1.59 -0.03 0.00 0.21 0.00 0.00 66.02 64.61 2fvt s SER 34 CO 0.00 0.21 -0.24 -0.76 0.41 0.00 0.00 173.24 172.85 2fvt s LEU 35 N 0.12 2.22 -0.29 2.44 1.43 0.51 -1.69 118.68 123.42 2fvt s LEU 35 Ca -0.03 -0.62 -0.03 0.00 -1.03 0.00 0.00 54.13 52.42 2fvt s LEU 35 Cb -0.14 -1.13 0.04 0.00 0.03 0.00 0.00 46.19 44.99 2fvt s LEU 35 CO 0.04 0.19 0.00 -0.22 0.23 0.00 0.00 176.35 176.58 2fvt s LEU 36 N -1.49 3.75 -0.59 1.79 0.20 0.72 -0.73 118.68 122.33 2fvt s LEU 36 Ca 0.10 -1.10 -0.20 0.00 0.69 0.00 0.00 54.13 53.62 2fvt s LEU 36 Cb -0.10 -1.73 0.08 0.00 -0.43 0.00 0.00 46.19 44.01 2fvt s LEU 36 CO 0.03 -0.23 0.78 -0.36 -0.29 0.00 0.00 176.35 176.28 2fvt s PHE 37 N 1.31 2.90 0.42 5.38 0.40 0.13 -0.71 117.98 127.81 2fvt s PHE 37 Ca -0.03 -0.69 -0.04 0.00 -0.60 0.00 0.00 56.93 55.57 2fvt s PHE 37 Cb -0.19 -4.00 -0.04 0.00 0.51 0.00 0.00 43.02 39.30 2fvt s PHE 37 CO -0.01 -1.35 0.69 -0.51 0.70 0.00 0.00 175.22 174.74 2fvt s LEU 38 N 3.15 3.79 0.00 -0.37 1.43 -0.89 -1.44 118.68 124.35 2fvt s LEU 38 Ca 0.16 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 2fvt s LEU 38 Cb -0.20 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.34 2fvt s LEU 38 CO 0.09 -0.45 0.28 -2.65 0.23 0.00 0.00 176.35 173.85 2fvt n PRO 39 N -1.98 0.42 0.04 1.29 -0.02 -1.26 -3.24 135.00 130.25 2fvt n PRO 39 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2fvt n PRO 39 Cb 0.55 -1.15 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 2fvt n PRO 39 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2fvt n ASP 40 N 0.04 0.03 -3.75 2.55 8.00 -1.26 -4.87 116.55 117.30 2fvt n ASP 40 Ca 0.00 0.14 -0.10 0.00 0.71 0.00 0.00 54.79 55.54 2fvt n ASP 40 Cb 0.07 0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.20 2fvt n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fvt s ALA 41 N -2.00 -0.59 -0.07 2.24 0.00 -1.20 -2.26 121.76 117.89 2fvt s ALA 41 Ca 0.00 -0.31 -0.20 0.00 0.00 0.00 0.00 51.96 51.46 2fvt s ALA 41 Cb 0.00 0.57 -0.05 0.00 0.00 0.00 0.00 23.12 23.64 2fvt s ALA 41 CO 0.00 -0.56 0.55 0.08 0.00 0.00 0.00 175.76 175.83 2fvt s VAL 42 N -3.73 5.07 0.22 0.00 1.01 -0.31 -2.10 120.40 120.56 2fvt s VAL 42 Ca 0.03 1.13 0.09 0.00 0.00 0.00 0.00 61.98 63.23 2fvt s VAL 42 Cb 0.03 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 2fvt s VAL 42 CO -0.11 0.35 -0.16 0.26 0.00 0.00 0.00 175.10 175.44 2fvt s TRP 43 N 0.32 1.86 -0.05 5.22 0.52 0.11 -4.38 118.94 122.55 2fvt s TRP 43 Ca 0.30 -0.50 -0.23 0.00 0.02 0.00 0.00 56.10 55.68 2fvt s TRP 43 Cb -0.17 -0.86 -0.04 0.00 -1.15 0.00 0.00 33.47 31.26 2fvt s TRP 43 CO 0.14 0.44 0.70 0.20 0.02 0.00 0.00 176.95 178.44 2fvt s GLY 44 N -3.25 2.64 -0.45 0.98 0.00 -1.26 -0.20 107.32 105.77 2fvt s GLY 44 Ca 0.23 0.14 0.05 0.00 0.00 0.00 0.00 44.72 45.14 2fvt s GLY 44 CO 0.09 1.13 0.43 1.87 0.00 0.00 0.00 173.10 176.62 2fvt n TRP 45 N 3.60 -0.04 -2.27 1.90 -0.00 -0.68 -4.83 117.44 115.11 2fvt n TRP 45 Ca -0.02 -3.54 -0.38 0.00 -0.00 0.00 0.00 57.50 53.56 2fvt n TRP 45 Cb 0.51 -0.04 -0.03 0.00 -0.00 0.00 0.00 31.31 31.75 2fvt n TRP 45 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 2fvt s ASP 46 N -0.58 5.69 -0.37 5.87 2.15 -1.24 -4.27 116.67 123.91 2fvt s ASP 46 Ca 0.33 -0.26 0.01 0.00 0.43 0.00 0.00 52.55 53.06 2fvt s ASP 46 Cb 0.07 -2.55 0.11 0.00 -0.30 0.00 0.00 42.92 40.25 2fvt s ASP 46 CO -0.16 -2.15 0.15 -0.69 -0.17 0.00 0.00 175.17 172.15 2fvt s VAL 47 N 7.61 1.42 0.14 1.11 1.01 -1.26 -4.98 120.40 125.45 2fvt s VAL 47 Ca 0.54 -2.08 -0.17 0.00 0.00 0.00 0.00 61.98 60.27 2fvt s VAL 47 Cb -0.09 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 2fvt s VAL 47 CO 0.13 -0.74 1.79 0.74 0.00 0.00 0.00 175.10 177.01 2fvt h THR 48 N 6.04 1.05 -3.29 3.92 2.02 -1.99 -3.41 112.91 117.26 2fvt h THR 48 Ca -0.07 -0.14 -0.67 0.00 0.77 0.00 0.00 66.41 66.30 2fvt h THR 48 Cb 0.98 0.61 -0.31 0.00 -1.74 0.00 0.00 68.15 67.69 2fvt h THR 48 CO 0.50 0.07 -0.82 -0.54 0.37 0.00 0.00 175.52 175.10 2fvt s LYS 49 N -6.17 3.19 0.00 6.66 1.02 -1.26 -4.94 119.74 118.25 2fvt s LYS 49 Ca -0.13 -0.78 0.10 0.00 0.02 0.00 0.00 55.97 55.18 2fvt s LYS 49 Cb 0.10 -2.53 0.46 0.00 -0.52 0.00 0.00 37.83 35.34 2fvt s LYS 49 CO 0.71 0.08 1.27 -0.35 -0.92 0.00 0.00 175.35 176.14 2fvt n PRO 50 N 3.86 0.06 0.26 -1.68 -0.04 -1.26 -2.14 135.00 134.07 2fvt n PRO 50 Ca -0.19 0.27 0.14 0.00 -0.04 0.00 0.00 63.50 63.68 2fvt n PRO 50 Cb 0.52 -1.50 0.69 0.00 -0.04 0.00 0.00 33.50 33.17 2fvt n PRO 50 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2fvt h GLU 51 N 0.00 0.00 -0.86 0.54 4.81 -1.96 -2.77 114.58 114.35 2fvt h GLU 51 Ca 0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 2fvt h GLU 51 Cb 0.14 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.43 2fvt h GLU 51 CO 0.00 0.11 0.19 1.04 -0.73 0.00 0.00 179.01 179.62 2fvt n GLN 52 N -3.38 2.69 -2.37 1.92 1.13 -0.91 -4.82 117.38 111.65 2fvt n GLN 52 Ca -0.01 -1.94 -0.41 0.00 -1.94 0.00 0.00 57.00 52.70 2fvt n GLN 52 Cb 0.29 -1.87 -0.03 0.00 0.11 0.00 0.00 30.24 28.74 2fvt n GLN 52 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2fvt s ILE 53 N -2.09 3.70 0.00 5.09 1.01 -1.05 -4.71 121.20 123.14 2fvt s ILE 53 Ca 0.35 0.53 0.00 0.00 0.00 0.00 0.00 60.65 61.53 2fvt s ILE 53 Cb 0.28 -4.46 0.00 0.00 0.01 0.00 0.00 42.46 38.29 2fvt s ILE 53 CO 0.09 -1.28 0.00 -0.90 0.00 0.00 0.00 174.94 172.84 2fvt n ASP 54 N 10.07 0.38 0.14 3.58 5.75 -1.26 -5.00 116.55 130.20 2fvt n ASP 54 Ca 0.12 -0.56 -0.00 0.00 -0.01 0.00 0.00 54.79 54.33 2fvt n ASP 54 Cb 0.50 0.00 0.16 0.00 -1.03 0.00 0.00 41.12 40.75 2fvt n ASP 54 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2fvt h ARG 55 N 0.00 0.00 -0.13 0.11 3.08 -1.94 0.07 114.38 115.58 2fvt h ARG 55 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 2fvt h ARG 55 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2fvt h ARG 55 CO 0.00 0.61 -0.28 1.88 -1.07 0.00 0.00 179.97 181.11 2fvt h TYR 56 N 0.00 0.52 -0.17 3.04 0.05 -1.96 -1.11 116.97 117.34 2fvt h TYR 56 Ca -0.01 -0.19 -0.15 0.00 0.05 0.00 0.00 58.73 58.43 2fvt h TYR 56 Cb 1.14 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.78 2fvt h TYR 56 CO 0.00 0.90 -0.52 0.66 -1.05 0.00 0.00 178.16 178.15 2fvt h SER 57 N -0.00 0.52 -0.18 3.88 4.64 -1.83 -2.67 113.55 117.91 2fvt h SER 57 Ca 0.00 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2fvt h SER 57 Cb 0.88 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2fvt h SER 57 CO 0.06 0.95 0.00 0.18 -0.87 0.00 0.00 176.83 177.15 2fvt n LEU 58 N -3.96 1.05 -0.31 5.97 4.77 0.01 -4.04 117.00 120.48 2fvt n LEU 58 Ca -0.03 -0.51 0.05 0.00 -0.03 0.00 0.00 56.01 55.50 2fvt n LEU 58 Cb 0.58 -0.12 0.20 0.00 -2.33 0.00 0.00 43.42 41.75 2fvt n LEU 58 CO 0.46 0.25 1.16 -0.61 -1.33 0.00 0.00 177.39 177.32 2fvt h GLN 59 N 1.20 0.80 -0.04 3.23 5.75 -0.83 0.67 115.11 125.90 2fvt h GLN 59 Ca 0.00 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.37 2fvt h GLN 59 Cb 0.27 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 2fvt h GLN 59 CO 0.00 0.53 -0.34 -0.09 -2.65 0.00 0.00 178.83 176.28 2fvt h ARG 60 N 0.83 0.07 -0.12 1.69 2.43 -1.81 0.13 114.38 117.60 2fvt h ARG 60 Ca 0.44 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.51 2fvt h ARG 60 Cb 0.45 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2fvt h ARG 60 CO -0.27 0.41 -0.23 0.28 -1.51 0.00 0.00 179.97 178.65 2fvt h VAL 61 N 0.06 1.38 -0.17 0.20 2.07 -1.22 0.52 116.25 119.09 2fvt h VAL 61 Ca 0.01 -1.50 -0.09 0.00 0.82 0.00 0.00 66.70 65.93 2fvt h VAL 61 Cb 0.64 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 2fvt h VAL 61 CO 0.05 0.44 -0.31 -0.26 0.02 0.00 0.00 177.57 177.50 2fvt h PHE 62 N -0.06 0.37 -0.04 1.57 0.04 -0.84 -1.14 116.94 116.83 2fvt h PHE 62 Ca 0.01 -0.08 -0.05 0.00 2.80 0.00 0.00 57.97 60.65 2fvt h PHE 62 Cb 0.81 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.88 2fvt h PHE 62 CO 0.10 0.61 -0.16 0.22 -0.60 0.00 0.00 178.31 178.48 2fvt h ASP 63 N 0.28 0.21 -0.54 2.17 3.58 -0.68 -3.19 116.42 118.26 2fvt h ASP 63 Ca 0.04 -0.63 -0.15 0.00 0.42 0.00 0.00 57.03 56.72 2fvt h ASP 63 Cb 0.69 -0.06 -0.09 0.00 1.72 0.00 0.00 39.33 41.60 2fvt h ASP 63 CO 0.05 0.81 0.18 -3.20 -2.88 0.00 0.00 179.24 174.20 2fvt n ASN 64 N -4.60 4.14 0.08 2.28 5.15 0.17 -4.41 115.26 118.06 2fvt n ASN 64 Ca -0.08 -2.87 0.08 0.00 -0.60 0.00 0.00 54.58 51.10 2fvt n ASN 64 Cb 0.40 -0.68 0.38 0.00 -0.53 0.00 0.00 39.78 39.35 2fvt n ASN 64 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2fvt n ALA 65 N 0.01 1.36 0.23 5.20 0.00 -0.44 -1.71 120.51 125.18 2fvt n ALA 65 Ca 0.29 0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.90 2fvt n ALA 65 Cb 1.11 -1.26 0.55 0.00 0.00 0.00 0.00 19.45 19.86 2fvt n ALA 65 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2fvt h ASN 66 N 0.00 0.00 -0.01 0.00 2.35 -1.86 -2.77 115.58 113.29 2fvt h ASN 66 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2fvt h ASN 66 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2fvt h ASN 66 CO 0.00 0.21 0.00 0.00 -1.65 0.00 0.00 177.43 175.99 2fvt n ALA 67 N -2.28 2.48 -3.76 -0.83 0.00 -0.69 -4.90 120.51 110.54 2fvt n ALA 67 Ca -0.01 -0.56 -0.36 0.00 0.00 0.00 0.00 53.44 52.50 2fvt n ALA 67 Cb 0.35 -0.23 -0.11 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.58 3.41 -0.20 0.00 1.01 -1.05 -4.67 121.20 119.12 2fvt s ILE 68 Ca 0.08 -2.24 0.09 0.00 0.00 0.00 0.00 60.65 58.58 2fvt s ILE 68 Cb 0.06 -3.31 -0.19 0.00 0.01 0.00 0.00 42.46 39.03 2fvt s ILE 68 CO 0.09 -0.74 -0.07 -0.67 0.00 0.00 0.00 174.94 173.55 2fvt n ASP 69 N 4.37 1.38 -4.18 3.58 -0.08 -0.56 -4.68 116.55 116.37 2fvt n ASP 69 Ca -0.00 -0.06 -0.31 0.00 -1.51 0.00 0.00 54.79 52.90 2fvt n ASP 69 Cb 0.40 0.31 -0.17 0.00 2.34 0.00 0.00 41.12 44.01 2fvt n ASP 69 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2fvt s THR 70 N -2.45 1.95 -0.20 5.18 2.01 0.90 0.38 115.64 123.42 2fvt s THR 70 Ca -0.19 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 60.85 2fvt s THR 70 Cb 0.07 -1.71 0.05 0.00 0.01 0.00 0.00 72.50 70.92 2fvt s THR 70 CO 0.63 0.53 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.86 2fvt s LEU 71 N 0.50 1.78 -0.32 4.42 2.96 0.11 -0.51 118.68 127.61 2fvt s LEU 71 Ca -0.16 -0.88 -0.10 0.00 -0.22 0.00 0.00 54.13 52.78 2fvt s LEU 71 Cb -0.17 -0.89 0.00 0.00 0.50 0.00 0.00 46.19 45.63 2fvt s LEU 71 CO 0.06 -0.24 0.16 -0.63 -1.32 0.00 0.00 176.35 174.37 2fvt s ILE 72 N 1.63 4.52 -0.33 6.68 1.01 -0.70 -1.25 121.20 132.77 2fvt s ILE 72 Ca -0.02 -0.55 -0.12 0.00 0.00 0.00 0.00 60.65 59.96 2fvt s ILE 72 Cb -0.17 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 2fvt s ILE 72 CO -0.07 0.00 0.21 -0.69 0.00 0.00 0.00 174.94 174.39 2fvt s VAL 73 N 1.59 5.06 -0.53 2.92 1.01 -0.48 -1.82 120.40 128.15 2fvt s VAL 73 Ca 0.04 -0.27 -0.16 0.00 0.00 0.00 0.00 61.98 61.59 2fvt s VAL 73 Cb -0.18 -3.59 0.13 0.00 0.00 0.00 0.00 36.38 32.74 2fvt s VAL 73 CO 0.06 0.02 0.49 -0.83 0.00 0.00 0.00 175.10 174.84 2fvt s GLY 74 N 1.69 2.09 -0.01 4.51 0.00 0.14 -0.46 107.32 115.27 2fvt s GLY 74 Ca 0.06 -2.52 -0.02 0.00 0.00 0.00 0.00 44.72 42.24 2fvt s GLY 74 CO 0.09 1.19 2.62 -1.30 0.00 0.00 0.00 173.10 175.70 2fvt n THR 75 N 5.24 2.40 0.00 0.90 -2.24 -0.48 -0.53 114.28 119.56 2fvt n THR 75 Ca -0.14 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 2fvt n THR 75 Cb 0.40 -1.68 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 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 1.84 1.71 0.00 3.38 0.00 -1.19 -2.37 105.19 108.57 2fvt n GLY 76 Ca 0.17 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 8.75 2.02 -3.11 4.61 0.00 -1.26 -2.01 120.51 129.51 2fvt n ALA 77 Ca 0.00 -0.01 -0.45 0.00 0.00 0.00 0.00 53.44 52.98 2fvt n ALA 77 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.61 6.66 0.03 0.00 2.15 -1.00 -5.01 116.67 117.89 2fvt s ASP 78 Ca -0.00 -2.29 -0.30 0.00 0.43 0.00 0.00 52.55 50.38 2fvt s ASP 78 Cb 0.00 -2.31 -0.07 0.00 -0.30 0.00 0.00 42.92 40.24 2fvt s ASP 78 CO 0.01 -0.85 1.54 0.54 -0.17 0.00 0.00 175.17 176.24 2fvt s VAL 79 N 1.58 3.36 -0.25 1.11 0.11 -1.26 -4.71 120.40 120.33 2fvt s VAL 79 Ca 0.25 0.77 -0.05 0.00 -2.93 0.00 0.00 61.98 60.03 2fvt s VAL 79 Cb -0.08 -3.50 -0.00 0.00 -1.53 0.00 0.00 36.38 31.27 2fvt s VAL 79 CO -0.08 -0.00 0.00 0.86 -3.33 0.00 0.00 175.10 172.54 2fvt s TRP 80 N 2.56 3.04 -0.25 1.54 -0.00 -1.26 -5.08 118.94 119.49 2fvt s TRP 80 Ca 0.69 -0.98 -0.22 0.00 -0.00 0.00 0.00 56.10 55.59 2fvt s TRP 80 Cb -0.36 -2.15 -0.01 0.00 -0.00 0.00 0.00 33.47 30.95 2fvt s TRP 80 CO 0.29 -0.56 0.71 0.42 -0.00 0.00 0.00 176.95 177.81 2fvt s ILE 81 N 1.48 4.93 0.17 5.86 1.01 -1.26 -4.85 121.20 128.54 2fvt s ILE 81 Ca 0.04 1.30 -0.30 0.00 0.00 0.00 0.00 60.65 61.69 2fvt s ILE 81 Cb -0.15 -4.00 -0.08 0.00 0.01 0.00 0.00 42.46 38.24 2fvt s ILE 81 CO -0.01 -0.01 1.14 0.00 0.00 0.00 0.00 174.94 176.07 2fvt s ALA 82 N 2.60 3.40 0.88 9.38 0.00 -1.26 -5.02 121.76 131.73 2fvt s ALA 82 Ca 0.30 0.87 -0.11 0.00 0.00 0.00 0.00 51.96 53.01 2fvt s ALA 82 Cb -0.15 -3.38 0.13 0.00 0.00 0.00 0.00 23.12 19.71 2fvt s ALA 82 CO 0.08 -0.29 1.16 -2.14 0.00 0.00 0.00 175.76 174.57 2fvt s PRO 83 N -0.20 1.19 0.36 0.00 0.02 -1.26 -4.71 135.00 130.40 2fvt s PRO 83 Ca 0.51 1.60 0.04 0.00 0.02 0.00 0.00 61.00 63.18 2fvt s PRO 83 Cb -0.31 -1.74 0.67 0.00 0.02 0.00 0.00 34.50 33.14 2fvt s PRO 83 CO 0.35 -2.52 1.97 0.00 -0.33 0.00 0.00 177.00 176.47 2fvt h ARG 84 N -1.61 0.65 -0.58 5.54 3.08 -1.98 0.61 114.38 120.10 2fvt h ARG 84 Ca -0.44 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 59.45 2fvt h ARG 84 Cb 1.28 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 2fvt h ARG 84 CO 0.43 0.51 0.00 1.96 -1.07 0.00 0.00 179.97 181.80 2fvt h GLN 85 N 0.65 0.99 -0.12 0.04 1.08 -1.98 0.21 115.11 115.99 2fvt h GLN 85 Ca 0.16 -0.30 -0.23 0.00 -1.45 0.00 0.00 58.65 56.83 2fvt h GLN 85 Cb 0.08 -0.10 0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2fvt h GLN 85 CO -0.02 0.97 -0.83 1.25 -0.95 0.00 0.00 178.83 179.25 2fvt h LEU 86 N 0.91 0.92 -0.71 1.46 5.85 -1.71 -0.91 115.31 121.12 2fvt h LEU 86 Ca 0.17 -0.63 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 2fvt h LEU 86 Cb 0.53 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2fvt h LEU 86 CO 0.03 1.43 0.43 -0.09 -0.34 0.00 0.00 178.44 179.90 2fvt h ARG 87 N 0.50 0.97 -0.22 1.25 9.65 -0.71 -2.48 114.38 123.34 2fvt h ARG 87 Ca -0.07 -0.09 -0.13 0.00 -1.10 0.00 0.00 59.98 58.60 2fvt h ARG 87 Cb 1.46 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 29.83 2fvt h ARG 87 CO 0.17 0.68 -0.40 1.49 2.80 0.00 0.00 179.97 184.71 2fvt h GLU 88 N 0.97 0.51 0.03 0.20 4.81 -0.51 -1.85 114.58 118.74 2fvt h GLU 88 Ca 0.26 -0.26 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2fvt h GLU 88 Cb -0.04 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2fvt h GLU 88 CO -0.05 0.83 -0.09 0.00 -0.73 0.00 0.00 179.01 178.97 2fvt h ALA 89 N 1.14 -0.13 -0.12 2.92 0.00 -0.71 -0.18 119.26 122.18 2fvt h ALA 89 Ca 0.04 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2fvt h ALA 89 Cb 0.89 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2fvt h ALA 89 CO 0.08 -0.60 -0.45 -0.07 0.00 0.00 0.00 179.25 178.21 2fvt h LEU 90 N -0.18 0.31 -1.79 0.00 3.38 -1.50 -2.81 115.31 112.73 2fvt h LEU 90 Ca 0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2fvt h LEU 90 Cb 0.20 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2fvt h LEU 90 CO -0.07 0.72 -0.01 -0.09 0.09 0.00 0.00 178.44 179.07 2fvt h ARG 91 N 0.23 0.12 -0.08 1.13 9.65 -0.70 0.80 114.38 125.53 2fvt h ARG 91 Ca 0.02 -0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.83 2fvt h ARG 91 Cb 0.89 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.43 2fvt h ARG 91 CO 0.07 0.14 -0.22 0.78 2.80 0.00 0.00 179.97 183.54 2fvt h GLY 92 N 0.29 0.15 -0.81 2.80 0.00 -0.77 0.35 103.07 105.08 2fvt h GLY 92 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2fvt h GLY 92 CO 0.00 0.09 0.00 -0.62 0.00 0.00 0.00 176.54 176.01 2fvt n VAL 93 N -4.22 0.23 -1.09 4.60 0.31 -0.50 -4.89 118.33 112.78 2fvt n VAL 93 Ca -0.01 -0.35 -0.03 0.00 -0.01 0.00 0.00 64.34 63.94 2fvt n VAL 93 Cb 0.31 0.32 -0.01 0.00 -0.91 0.00 0.00 33.84 33.55 2fvt n VAL 93 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2fvt n ASN 94 N 0.30 -4.18 -4.60 4.52 5.03 0.11 -4.97 115.26 111.47 2fvt n ASN 94 Ca 0.15 0.07 -0.43 0.00 0.87 0.00 0.00 54.58 55.25 2fvt n ASN 94 Cb 0.31 -1.94 -0.02 0.00 -1.02 0.00 0.00 39.78 37.11 2fvt n ASN 94 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2fvt s VAL 95 N -1.84 3.98 -0.81 2.41 1.01 0.16 -4.75 120.40 120.56 2fvt s VAL 95 Ca 0.00 1.00 -0.26 0.00 0.00 0.00 0.00 61.98 62.72 2fvt s VAL 95 Cb 0.00 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 32.10 2fvt s VAL 95 CO 0.00 -0.82 1.47 -0.69 0.00 0.00 0.00 175.10 175.06 2fvt s VAL 96 N 5.19 3.69 0.03 2.92 1.01 0.16 -3.61 120.40 129.78 2fvt s VAL 96 Ca 0.58 0.00 -0.19 0.00 0.00 0.00 0.00 61.98 62.38 2fvt s VAL 96 Cb -0.12 -4.72 -0.06 0.00 0.00 0.00 0.00 36.38 31.48 2fvt s VAL 96 CO 0.32 -1.65 0.53 -0.22 0.00 0.00 0.00 175.10 174.09 2fvt s LEU 97 N 6.44 4.48 0.01 3.92 2.96 -1.26 0.06 118.68 135.29 2fvt s LEU 97 Ca 0.46 1.15 0.00 0.00 -0.22 0.00 0.00 54.13 55.52 2fvt s LEU 97 Cb -0.07 -2.82 -0.01 0.00 0.50 0.00 0.00 46.19 43.80 2fvt s LEU 97 CO 0.08 0.23 -0.02 -0.62 -1.32 0.00 0.00 176.35 174.70 2fvt s ASP 98 N -0.79 0.19 -0.37 3.68 -1.08 -0.38 -4.96 116.67 112.96 2fvt s ASP 98 Ca 0.28 -0.14 -0.09 0.00 -0.52 0.00 0.00 52.55 52.07 2fvt s ASP 98 Cb -0.18 0.01 0.04 0.00 -1.46 0.00 0.00 42.92 41.32 2fvt s ASP 98 CO 0.17 -0.06 0.19 0.42 0.52 0.00 0.00 175.17 176.41 2fvt s THR 99 N -0.38 4.31 0.31 1.71 -4.23 -1.26 -1.39 115.64 114.71 2fvt s THR 99 Ca -0.03 -1.01 0.04 0.00 -1.18 0.00 0.00 61.69 59.50 2fvt s THR 99 Cb -0.03 -3.45 -0.01 0.00 1.34 0.00 0.00 72.50 70.35 2fvt s THR 99 CO -0.00 -0.26 0.14 0.23 -0.54 0.00 0.00 174.62 174.19 2fvt n MET 100 N 4.94 0.58 -3.92 3.99 2.81 0.39 -4.96 117.12 120.95 2fvt n MET 100 Ca -0.12 -2.69 -0.21 0.00 -1.81 0.00 0.00 57.70 52.87 2fvt n MET 100 Cb 0.45 1.61 -0.03 0.00 -0.71 0.00 0.00 33.22 34.54 2fvt n MET 100 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2fvt s GLN 101 N -3.19 3.05 0.07 0.03 -0.21 -1.26 -1.39 119.66 116.76 2fvt s GLN 101 Ca 0.19 -1.02 -0.27 0.00 0.02 0.00 0.00 55.36 54.29 2fvt s GLN 101 Cb 0.01 -2.67 -0.12 0.00 1.00 0.00 0.00 33.01 31.23 2fvt s GLN 101 CO 0.14 0.30 1.42 1.79 -2.12 0.00 0.00 175.29 176.82 2fvt h THR 102 N 1.27 0.00 -0.18 -0.19 1.35 -1.62 -1.56 112.91 111.98 2fvt h THR 102 Ca -0.48 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.40 2fvt h THR 102 Cb 1.24 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.62 2fvt h THR 102 CO 0.59 0.00 -0.32 1.23 -0.25 0.00 0.00 175.52 176.77 2fvt h GLY 103 N -0.65 -1.37 0.72 5.82 0.00 -1.97 0.86 103.07 106.48 2fvt h GLY 103 Ca -0.02 0.74 0.11 0.00 0.00 0.00 0.00 47.33 48.16 2fvt h GLY 103 CO -0.16 -0.38 0.54 -2.55 0.00 0.00 0.00 176.54 173.99 2fvt h PRO 104 N -0.27 0.69 -0.31 4.80 0.11 -1.98 -2.55 132.00 132.49 2fvt h PRO 104 Ca 0.03 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.99 2fvt h PRO 104 Cb 0.36 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 2fvt h PRO 104 CO -0.31 0.46 -0.24 0.00 -0.21 0.00 0.00 178.00 177.70 2fvt h ALA 105 N 1.60 0.45 -0.03 -0.75 0.00 -0.38 -1.98 119.26 118.17 2fvt h ALA 105 Ca 0.40 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2fvt h ALA 105 Cb 0.55 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2fvt h ALA 105 CO -0.16 0.43 0.01 0.82 0.00 0.00 0.00 179.25 180.35 2fvt h ILE 106 N 0.48 1.00 -0.59 0.00 2.04 -0.47 0.23 117.51 120.19 2fvt h ILE 106 Ca 0.06 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 2fvt h ILE 106 Cb 0.80 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 2fvt h ILE 106 CO 0.06 0.01 0.33 -0.09 0.00 0.00 0.00 178.15 178.46 2fvt h ARG 107 N 0.03 0.82 -0.55 2.37 2.43 -1.49 -0.38 114.38 117.61 2fvt h ARG 107 Ca 0.01 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 2fvt h ARG 107 Cb 0.00 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 2fvt h ARG 107 CO -0.01 0.62 0.14 1.15 -1.51 0.00 0.00 179.97 180.36 2fvt h THR 108 N 0.80 1.24 -0.72 0.20 2.02 -1.14 -2.62 112.91 112.69 2fvt h THR 108 Ca 0.21 -0.87 0.02 0.00 0.77 0.00 0.00 66.41 66.54 2fvt h THR 108 Cb 0.03 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 2fvt h THR 108 CO -0.03 0.32 0.46 0.22 0.37 0.00 0.00 175.52 176.86 2fvt h TYR 109 N 0.79 0.87 -0.34 3.16 3.20 -0.05 -0.15 116.97 124.45 2fvt h TYR 109 Ca 0.18 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 2fvt h TYR 109 Cb 0.33 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2fvt h TYR 109 CO 0.02 0.52 0.08 -0.91 -1.64 0.00 0.00 178.16 176.23 2fvt h ASN 110 N 0.92 0.44 -0.13 -2.11 2.35 -0.84 0.28 115.58 116.49 2fvt h ASN 110 Ca 0.28 -0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.82 2fvt h ASN 110 Cb -0.04 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.22 2fvt h ASN 110 CO -0.09 0.45 -0.52 0.40 -1.65 0.00 0.00 177.43 176.02 2fvt h ILE 111 N 0.48 1.34 -0.00 2.81 2.04 -1.04 -3.32 117.51 119.82 2fvt h ILE 111 Ca 0.11 -1.80 -0.13 0.00 1.00 0.00 0.00 64.86 64.04 2fvt h ILE 111 Cb 0.19 2.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 2fvt h ILE 111 CO -0.00 0.55 -0.61 0.24 0.00 0.00 0.00 178.15 178.32 2fvt h MET 112 N 0.23 0.02 0.00 2.37 2.86 -0.32 -2.79 114.93 117.30 2fvt h MET 112 Ca -0.03 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2fvt h MET 112 Cb 1.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.82 2fvt h MET 112 CO 0.11 0.62 0.00 1.51 1.06 0.00 0.00 176.91 180.21 2fvt n ILE 113 N -3.81 1.06 -1.40 -1.22 0.13 0.91 0.48 119.36 115.51 2fvt n ILE 113 Ca -0.01 0.27 0.08 0.00 -1.10 0.00 0.00 62.75 61.98 2fvt n ILE 113 Cb 0.61 -1.08 0.17 0.00 -0.84 0.00 0.00 39.64 38.50 2fvt n ILE 113 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2fvt n GLY 114 N -0.37 4.75 0.00 4.50 0.00 -1.05 -4.62 105.19 108.41 2fvt n GLY 114 Ca 0.04 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.18 0.00 -3.22 1.61 2.13 -0.34 -5.00 120.64 114.64 2fvt n GLU 115 Ca 0.17 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.78 2fvt n GLU 115 Cb 0.68 -0.28 -0.07 0.00 0.27 0.00 0.00 31.44 32.04 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 -1.11 0.31 -0.98 5.31 0.63 0.18 -5.04 116.66 115.96 2fvt n ARG 116 Ca 0.00 -2.88 -0.29 0.00 -0.92 0.00 0.00 57.85 53.76 2fvt n ARG 116 Cb 0.00 -1.59 -0.02 0.00 0.45 0.00 0.00 32.46 31.30 2fvt n ARG 116 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2fvt n ARG 117 N 2.74 2.60 -0.19 -0.14 1.74 -1.24 -3.50 116.66 118.66 2fvt n ARG 117 Ca 0.26 -1.76 0.01 0.00 -0.77 0.00 0.00 57.85 55.59 2fvt n ARG 117 Cb 0.51 -2.62 0.02 0.00 -1.02 0.00 0.00 32.46 29.34 2fvt n ARG 117 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2fvt n ARG 118 N 4.24 0.52 -4.33 5.56 1.74 -1.26 -5.05 116.66 118.09 2fvt n ARG 118 Ca 0.56 -1.05 -0.34 0.00 -0.77 0.00 0.00 57.85 56.25 2fvt n ARG 118 Cb 0.19 -0.68 -0.11 0.00 -1.02 0.00 0.00 32.46 30.84 2fvt n ARG 118 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2fvt s VAL 119 N -0.46 4.20 0.09 1.55 0.11 -1.23 -0.07 120.40 124.60 2fvt s VAL 119 Ca 0.04 -0.26 0.09 0.00 -2.93 0.00 0.00 61.98 58.92 2fvt s VAL 119 Cb 0.03 -2.82 -0.04 0.00 -1.53 0.00 0.00 36.38 32.03 2fvt s VAL 119 CO 0.00 0.53 -0.23 0.00 -3.33 0.00 0.00 175.10 172.08 2fvt s ALA 120 N -0.14 2.46 -0.15 1.54 0.00 0.33 -4.51 121.76 121.30 2fvt s ALA 120 Ca 0.04 -1.34 0.02 0.00 0.00 0.00 0.00 51.96 50.68 2fvt s ALA 120 Cb -0.13 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.47 2fvt s ALA 120 CO 0.02 0.56 -0.21 0.00 0.00 0.00 0.00 175.76 176.13 2fvt s ALA 121 N -0.99 2.23 -0.29 0.00 0.00 -0.52 -1.72 121.76 120.46 2fvt s ALA 121 Ca 0.14 -1.10 -0.07 0.00 0.00 0.00 0.00 51.96 50.94 2fvt s ALA 121 Cb -0.10 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 21.99 2fvt s ALA 121 CO 0.06 -0.12 0.08 0.00 0.00 0.00 0.00 175.76 175.78 2fvt s ALA 122 N 0.96 3.08 -0.18 0.00 0.00 -0.75 0.21 121.76 125.08 2fvt s ALA 122 Ca -0.04 -1.42 -0.02 0.00 0.00 0.00 0.00 51.96 50.49 2fvt s ALA 122 Cb -0.15 -2.15 -0.00 0.00 0.00 0.00 0.00 23.12 20.82 2fvt s ALA 122 CO -0.05 -0.88 -0.11 -0.51 0.00 0.00 0.00 175.76 174.21 2fvt s LEU 123 N 1.51 2.67 0.13 0.00 1.43 0.09 0.26 118.68 124.78 2fvt s LEU 123 Ca 0.03 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.64 2fvt s LEU 123 Cb -0.17 -1.64 -0.06 0.00 0.03 0.00 0.00 46.19 44.35 2fvt s LEU 123 CO 0.03 0.05 0.40 -0.63 0.23 0.00 0.00 176.35 176.42 2fvt s ILE 124 N 1.07 5.12 0.27 -0.59 1.01 0.31 -0.36 121.20 128.02 2fvt s ILE 124 Ca -0.00 0.21 -0.27 0.00 0.00 0.00 0.00 60.65 60.58 2fvt s ILE 124 Cb -0.15 -3.63 -0.15 0.00 0.01 0.00 0.00 42.46 38.55 2fvt s ILE 124 CO -0.02 0.10 0.76 0.00 0.00 0.00 0.00 174.94 175.78 2fvt n ALA 125 N 0.31 -1.46 -3.17 9.38 0.00 0.38 -3.15 120.51 122.79 2fvt n ALA 125 Ca -0.04 0.39 -0.38 0.00 0.00 0.00 0.00 53.44 53.41 2fvt n ALA 125 Cb 0.52 -1.82 -0.12 0.00 0.00 0.00 0.00 19.45 18.02 2fvt n ALA 125 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2fvt s VAL 126 N -1.08 3.91 -0.53 0.00 1.01 -1.26 -4.38 120.40 118.07 2fvt s VAL 126 Ca 0.61 -1.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.25 2fvt s VAL 126 Cb -0.79 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 32.42 2fvt s VAL 126 CO 0.58 -0.16 1.37 -2.16 0.00 0.00 0.00 175.10 174.72 2fvt s PRO 127 N 1.43 3.41 -0.09 2.72 0.04 -1.26 -4.39 135.00 136.86 2fvt s PRO 127 Ca -0.01 0.52 -0.08 0.00 0.04 0.00 0.00 61.00 61.47 2fvt s PRO 127 Cb -0.19 -4.08 -0.03 0.00 0.04 0.00 0.00 34.50 30.24 2fvt s PRO 127 CO 0.03 -1.80 -0.16 -0.11 0.04 0.00 0.00 177.00 175.00 2fvt n LEU 128 N 9.17 0.96 -4.61 -3.56 7.94 -1.26 -4.92 117.00 120.72 2fvt n LEU 128 Ca 0.13 0.21 -0.39 0.00 -1.11 0.00 0.00 56.01 54.84 2fvt n LEU 128 Cb 0.49 -0.63 -0.08 0.00 0.53 0.00 0.00 43.42 43.73 2fvt n LEU 128 CO 0.71 -0.40 0.16 -0.70 -1.11 0.00 0.00 177.39 176.05 2fvt s GLU 129 N -1.90 4.05 0.00 1.96 -6.30 -1.26 -4.81 118.70 110.44 2fvt s GLU 129 Ca -0.13 0.20 0.00 0.00 -2.50 0.00 0.00 54.97 52.53 2fvt s GLU 129 Cb 0.02 -3.65 0.00 0.00 0.00 0.00 0.00 34.13 30.50 2fvt s GLU 129 CO 0.20 -0.30 0.69 1.58 0.02 0.00 0.00 175.26 177.45 2fvt n HIS 130 N 5.39 0.00 0.00 5.30 -0.00 -1.26 -5.02 115.22 119.63 2fvt n HIS 130 Ca -0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.12 2fvt n HIS 130 Cb 0.50 0.11 0.00 0.00 -0.12 0.00 0.00 29.99 30.48 2fvt n HIS 130 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2fvt n HIS 131 N 0.00 0.00 -3.68 1.57 8.25 -1.26 -5.02 115.22 115.08 2fvt n HIS 131 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.18 2fvt n HIS 131 Cb 0.59 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.53 2fvt n HIS 131 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2fvt s HIS 132 N 0.00 0.84 -0.34 4.41 3.76 -1.26 -5.07 115.29 117.63 2fvt s HIS 132 Ca 0.00 -0.86 0.02 0.00 -0.15 0.00 0.00 55.06 54.07 2fvt s HIS 132 Cb 0.00 -1.03 0.15 0.00 1.11 0.00 0.00 32.58 32.81 2fvt s HIS 132 CO 0.00 -0.66 0.35 -3.38 -0.85 0.00 0.00 174.74 170.20 2fvt s HIS 133 N 1.92 -0.40 -0.17 1.40 -3.43 -1.26 -4.91 115.29 108.45 2fvt s HIS 133 Ca 0.02 -0.51 0.06 0.00 -0.80 0.00 0.00 55.06 53.83 2fvt s HIS 133 Cb -0.17 -0.41 -0.14 0.00 -1.43 0.00 0.00 32.58 30.43 2fvt s HIS 133 CO -0.15 -0.95 -0.08 0.72 -2.00 0.00 0.00 174.74 172.28 2fvt n HIS 134 N 4.72 0.00 -1.76 0.38 8.25 -1.26 -5.18 115.22 120.37 2fvt n HIS 134 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2fvt n HIS 134 Cb 0.46 -0.70 0.00 0.00 1.12 0.00 0.00 29.99 30.87 2fvt n HIS 134 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56