#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 3.59 -0.79 -5.12 0.00 -1.26 -5.02 121.76 113.17 2fvt s ALA 2 Ca 0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 51.96 51.71 2fvt s ALA 2 Cb 0.00 -2.56 0.12 0.00 0.00 0.00 0.00 23.12 20.67 2fvt s ALA 2 CO 0.00 0.43 0.97 -0.65 0.00 0.00 0.00 175.76 176.51 2fvt s GLN 3 N -1.47 3.37 -0.45 0.00 1.11 -1.26 -4.98 119.66 115.98 2fvt s GLN 3 Ca 0.32 -1.50 -0.09 0.00 0.01 0.00 0.00 55.36 54.10 2fvt s GLN 3 Cb -0.17 -4.57 0.10 0.00 -1.01 0.00 0.00 33.01 27.36 2fvt s GLN 3 CO 0.18 -1.70 0.31 1.03 0.01 0.00 0.00 175.29 175.13 2fvt s ARG 4 N 2.82 2.52 -0.16 2.91 0.52 -1.26 -4.91 118.95 121.38 2fvt s ARG 4 Ca 0.25 -1.65 0.16 0.00 -0.52 0.00 0.00 55.73 53.96 2fvt s ARG 4 Cb -0.12 -3.87 0.70 0.00 0.52 0.00 0.00 34.95 32.18 2fvt s ARG 4 CO -0.01 -1.10 1.62 0.45 0.02 0.00 0.00 175.30 176.27 2fvt n SER 5 N 4.91 4.85 -2.70 0.23 2.88 -1.26 -4.55 113.62 117.98 2fvt n SER 5 Ca -0.09 -2.70 -0.32 0.00 -1.33 0.00 0.00 58.87 54.44 2fvt n SER 5 Cb 0.42 -0.59 0.01 0.00 -0.75 0.00 0.00 64.21 63.30 2fvt n SER 5 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2fvt n GLU 6 N 0.61 3.28 -3.65 -1.46 2.13 -1.26 -4.83 120.64 115.46 2fvt n GLU 6 Ca 0.25 -4.22 -0.27 0.00 0.66 0.00 0.00 57.16 53.57 2fvt n GLU 6 Cb 0.98 -2.26 -0.11 0.00 0.27 0.00 0.00 31.44 30.31 2fvt n GLU 6 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2fvt n ILE 7 N -0.47 0.45 0.00 6.31 -5.35 -1.26 -4.97 119.36 114.07 2fvt n ILE 7 Ca 0.44 -4.28 0.00 0.00 -0.27 0.00 0.00 62.75 58.64 2fvt n ILE 7 Cb 0.49 -1.96 0.00 0.00 -1.74 0.00 0.00 39.64 36.42 2fvt n ILE 7 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 2fvt n PRO 8 N 2.25 0.00 -3.72 6.28 -0.02 -1.26 -4.97 135.00 133.56 2fvt n PRO 8 Ca 0.24 0.44 -0.12 0.00 -2.02 0.00 0.00 63.50 62.04 2fvt n PRO 8 Cb 0.41 -1.00 -0.13 0.00 -0.02 0.00 0.00 33.50 32.76 2fvt n PRO 8 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2fvt s HIS 9 N -1.11 -0.37 -0.22 6.00 5.65 -1.26 -5.11 115.29 118.87 2fvt s HIS 9 Ca 0.00 0.87 -0.28 0.00 0.25 0.00 0.00 55.06 55.89 2fvt s HIS 9 Cb 0.00 0.06 -0.04 0.00 -1.18 0.00 0.00 32.58 31.42 2fvt s HIS 9 CO 0.00 -0.26 2.00 -0.06 -0.65 0.00 0.00 174.74 175.77 2fvt s PHE 10 N 1.41 1.47 -0.48 3.88 0.08 -1.26 -4.95 117.98 118.12 2fvt s PHE 10 Ca -0.08 0.44 -0.17 0.00 0.12 0.00 0.00 56.93 57.23 2fvt s PHE 10 Cb -0.10 -4.03 0.06 0.00 -0.57 0.00 0.00 43.02 38.38 2fvt s PHE 10 CO -0.09 -3.83 0.49 -1.25 -0.10 0.00 0.00 175.22 170.44 2fvt s PRO 11 N 5.72 3.05 -0.25 0.24 0.04 -1.26 -3.73 135.00 138.81 2fvt s PRO 11 Ca 0.90 -1.11 -0.03 0.00 0.04 0.00 0.00 61.00 60.80 2fvt s PRO 11 Cb -0.30 -4.10 0.01 0.00 0.04 0.00 0.00 34.50 30.14 2fvt s PRO 11 CO 0.35 -1.09 0.05 -2.13 0.04 0.00 0.00 177.00 174.22 2fvt n ARG 12 N 5.63 -3.30 -4.01 4.56 0.63 0.55 -4.99 116.66 115.73 2fvt n ARG 12 Ca -0.10 2.65 -0.34 0.00 -0.92 0.00 0.00 57.85 59.15 2fvt n ARG 12 Cb 0.45 -4.79 -0.06 0.00 0.45 0.00 0.00 32.46 28.51 2fvt n ARG 12 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2fvt s THR 13 N -1.24 5.08 0.06 5.15 2.01 -1.26 -5.02 115.64 120.42 2fvt s THR 13 Ca -0.06 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 61.72 2fvt s THR 13 Cb 0.00 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.20 2fvt s THR 13 CO 0.69 0.39 0.00 0.00 -0.69 0.00 0.00 174.62 175.01 2fvt n ALA 14 N 1.26 3.00 -2.72 7.40 0.00 -1.26 -4.97 120.51 123.21 2fvt n ALA 14 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.03 2fvt n ALA 14 Cb 0.53 0.11 -0.03 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.00 3.79 -0.04 0.00 0.00 -1.26 -4.67 121.76 117.58 2fvt s ALA 15 Ca 0.00 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.24 2fvt s ALA 15 Cb 0.00 -2.05 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 2fvt s ALA 15 CO 0.00 0.37 -0.25 0.42 0.00 0.00 0.00 175.76 176.30 2fvt s ILE 16 N -1.94 2.10 0.03 0.00 1.01 -1.26 -5.06 121.20 116.08 2fvt s ILE 16 Ca 0.39 -1.08 -0.27 0.00 0.00 0.00 0.00 60.65 59.70 2fvt s ILE 16 Cb -0.11 -1.74 -0.17 0.00 0.01 0.00 0.00 42.46 40.46 2fvt s ILE 16 CO 0.30 0.58 1.32 0.44 0.00 0.00 0.00 174.94 177.57 2fvt h ASP 17 N 5.71 -0.50 -5.00 3.58 3.32 -1.96 -3.47 116.42 118.10 2fvt h ASP 17 Ca -0.39 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 56.46 2fvt h ASP 17 Cb 1.14 0.13 -0.19 0.00 0.22 0.00 0.00 39.33 40.63 2fvt h ASP 17 CO 0.47 -0.18 -0.28 0.00 -1.72 0.00 0.00 179.24 177.54 2fvt s ALA 18 N -5.16 -0.74 0.18 3.45 0.00 -0.83 -5.01 121.76 113.65 2fvt s ALA 18 Ca -0.15 0.24 -0.11 0.00 0.00 0.00 0.00 51.96 51.95 2fvt s ALA 18 Cb 0.02 0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.27 2fvt s ALA 18 CO 0.54 -0.29 0.34 1.52 0.00 0.00 0.00 175.76 177.87 2fvt s TYR 19 N -1.59 0.32 0.00 0.00 1.13 -1.26 -0.58 117.35 115.38 2fvt s TYR 19 Ca -0.12 -0.68 0.00 0.00 -1.41 0.00 0.00 57.07 54.87 2fvt s TYR 19 Cb -0.04 0.03 0.00 0.00 -1.10 0.00 0.00 41.96 40.85 2fvt s TYR 19 CO 0.03 -0.78 0.00 0.41 -2.51 0.00 0.00 175.55 172.70 2fvt n GLY 20 N -0.25 1.28 3.72 5.49 0.00 -0.63 -4.92 105.19 109.87 2fvt n GLY 20 Ca -0.07 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 2fvt n GLY 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fvt s LYS 21 N 0.00 4.35 0.00 1.61 0.00 -1.26 -1.34 119.74 123.10 2fvt s LYS 21 Ca 0.00 2.02 0.00 0.00 0.00 0.00 0.00 55.97 57.99 2fvt s LYS 21 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 37.83 34.57 2fvt s LYS 21 CO 0.00 -0.37 0.00 0.41 0.00 0.00 0.00 175.35 175.39 2fvt n GLY 22 N 3.26 1.91 4.40 0.59 0.00 -1.26 -4.82 105.19 109.27 2fvt n GLY 22 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 0.39 3.55 -0.02 0.00 -0.45 -3.37 105.19 103.29 2fvt n GLY 23 Ca 0.00 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 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 2.79 -0.54 1.61 0.08 0.68 -1.61 117.98 120.99 2fvt s PHE 24 Ca 0.00 0.23 -0.02 0.00 0.12 0.00 0.00 56.93 57.26 2fvt s PHE 24 Cb 0.00 -4.15 0.14 0.00 -0.57 0.00 0.00 43.02 38.44 2fvt s PHE 24 CO 0.00 -1.32 0.34 -0.47 -0.10 0.00 0.00 175.22 173.67 2fvt s TYR 25 N 4.12 3.45 0.28 0.36 5.04 0.25 -3.87 117.35 126.98 2fvt s TYR 25 Ca 0.36 -2.68 0.02 0.00 -2.44 0.00 0.00 57.07 52.33 2fvt s TYR 25 Cb -0.10 -3.16 -0.05 0.00 0.35 0.00 0.00 41.96 39.00 2fvt s TYR 25 CO 0.23 -0.87 0.11 -0.59 -1.34 0.00 0.00 175.55 173.09 2fvt s PHE 26 N 0.31 1.58 -0.47 4.97 -0.12 -1.24 -1.96 117.98 121.06 2fvt s PHE 26 Ca 0.14 -1.22 -0.27 0.00 -0.05 0.00 0.00 56.93 55.53 2fvt s PHE 26 Cb -0.21 -0.92 -0.04 0.00 -0.63 0.00 0.00 43.02 41.21 2fvt s PHE 26 CO -0.03 -0.36 2.12 0.00 -0.05 0.00 0.00 175.22 176.89 2fvt s ALA 27 N -3.68 2.13 0.00 1.99 0.00 -1.26 -3.29 121.76 117.65 2fvt s ALA 27 Ca 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2fvt s ALA 27 Cb 0.07 -4.25 0.00 0.00 0.00 0.00 0.00 23.12 18.94 2fvt s ALA 27 CO 0.15 -3.80 0.00 0.41 0.00 0.00 0.00 175.76 172.52 2fvt n GLY 28 N 5.79 1.06 3.03 0.00 0.00 -1.26 -5.11 105.19 108.71 2fvt n GLY 28 Ca 0.29 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 2fvt n GLY 28 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2fvt s MET 29 N 0.00 0.40 0.25 1.61 -1.94 -1.21 -5.15 119.30 113.27 2fvt s MET 29 Ca 0.00 -0.60 0.11 0.00 -1.71 0.00 0.00 55.69 53.49 2fvt s MET 29 Cb 0.00 0.15 -0.05 0.00 2.01 0.00 0.00 34.83 36.94 2fvt s MET 29 CO 0.00 -0.08 -0.13 -1.54 -0.01 0.00 0.00 175.02 173.26 2fvt s SER 30 N -1.58 3.97 -0.48 3.03 1.04 -1.26 -3.65 113.70 114.77 2fvt s SER 30 Ca -0.13 -0.83 -0.15 0.00 0.48 0.00 0.00 55.95 55.31 2fvt s SER 30 Cb -0.08 -0.53 0.02 0.00 0.10 0.00 0.00 66.02 65.54 2fvt s SER 30 CO -0.01 0.04 0.62 1.57 0.98 0.00 0.00 173.24 176.44 2fvt n HIS 31 N -0.54 -3.38 -4.18 5.02 -0.00 -1.24 -5.03 115.22 105.87 2fvt n HIS 31 Ca -0.07 1.36 -0.17 0.00 -0.00 0.00 0.00 57.72 58.83 2fvt n HIS 31 Cb 0.59 -3.98 -0.15 0.00 -0.00 0.00 0.00 29.99 26.44 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 -2.67 0.57 -0.18 1.57 -0.21 -1.22 -4.93 119.66 112.60 2fvt s GLN 32 Ca 0.22 -0.16 -0.01 0.00 0.02 0.00 0.00 55.36 55.43 2fvt s GLN 32 Cb -0.06 -0.58 -0.11 0.00 1.00 0.00 0.00 33.01 33.27 2fvt s GLN 32 CO 0.77 0.05 -0.18 0.41 -2.12 0.00 0.00 175.29 174.23 2fvt n GLY 33 N 3.33 -0.26 2.83 3.09 0.00 -1.26 -0.23 105.19 112.69 2fvt n GLY 33 Ca -0.18 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 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 -5.94 2.11 -0.04 1.61 0.01 -1.26 0.13 113.70 110.32 2fvt s SER 34 Ca -0.24 -0.32 0.04 0.00 1.31 0.00 0.00 55.95 56.74 2fvt s SER 34 Cb 0.07 -0.65 -0.00 0.00 0.21 0.00 0.00 66.02 65.64 2fvt s SER 34 CO 0.39 -0.18 -0.16 -0.76 0.41 0.00 0.00 173.24 172.94 2fvt s LEU 35 N 1.83 1.92 -0.50 2.44 1.43 -0.69 -1.31 118.68 123.80 2fvt s LEU 35 Ca 0.04 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.67 2fvt s LEU 35 Cb -0.13 -0.92 0.11 0.00 0.03 0.00 0.00 46.19 45.28 2fvt s LEU 35 CO -0.07 0.15 0.43 -0.76 0.23 0.00 0.00 176.35 176.33 2fvt s LEU 36 N -0.01 5.87 -0.58 1.79 1.43 0.10 -1.97 118.68 125.32 2fvt s LEU 36 Ca -0.02 -1.68 -0.25 0.00 -1.03 0.00 0.00 54.13 51.15 2fvt s LEU 36 Cb -0.10 -2.15 0.04 0.00 0.03 0.00 0.00 46.19 44.01 2fvt s LEU 36 CO 0.02 -0.75 0.99 -0.36 0.23 0.00 0.00 176.35 176.48 2fvt s PHE 37 N 1.55 2.72 0.19 0.29 0.40 0.48 -0.81 117.98 122.81 2fvt s PHE 37 Ca 0.04 -0.04 0.05 0.00 -0.60 0.00 0.00 56.93 56.37 2fvt s PHE 37 Cb -0.27 -4.19 -0.03 0.00 0.51 0.00 0.00 43.02 39.03 2fvt s PHE 37 CO 0.03 -1.46 0.24 -0.51 0.70 0.00 0.00 175.22 174.22 2fvt s LEU 38 N 4.19 4.09 0.57 -0.37 1.43 -0.77 -0.39 118.68 127.43 2fvt s LEU 38 Ca 0.31 -0.01 0.28 0.00 -1.03 0.00 0.00 54.13 53.68 2fvt s LEU 38 Cb -0.12 -2.66 1.49 0.00 0.03 0.00 0.00 46.19 44.93 2fvt s LEU 38 CO 0.18 0.02 1.95 -0.65 0.23 0.00 0.00 176.35 178.08 2fvt h PRO 39 N 1.90 0.00 0.00 1.29 0.11 -1.88 -3.05 132.00 130.37 2fvt h PRO 39 Ca -0.49 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 2fvt h PRO 39 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2fvt h PRO 39 CO 0.64 0.00 -1.16 -0.25 -0.21 0.00 0.00 178.00 177.02 2fvt n ASP 40 N -3.90 1.89 -4.07 -2.05 8.00 -1.26 -4.28 116.55 110.88 2fvt n ASP 40 Ca 0.08 0.44 -0.10 0.00 0.71 0.00 0.00 54.79 55.92 2fvt n ASP 40 Cb 0.62 -0.83 -0.07 0.00 -0.02 0.00 0.00 41.12 40.82 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 -2.71 0.31 -0.16 2.24 0.00 -1.15 -0.33 121.76 119.96 2fvt s ALA 41 Ca -0.26 -1.19 -0.07 0.00 0.00 0.00 0.00 51.96 50.44 2fvt s ALA 41 Cb 0.06 1.17 -0.04 0.00 0.00 0.00 0.00 23.12 24.31 2fvt s ALA 41 CO 0.40 -0.74 0.07 0.08 0.00 0.00 0.00 175.76 175.56 2fvt s VAL 42 N -4.07 4.83 0.33 0.00 1.01 -1.24 -1.85 120.40 119.42 2fvt s VAL 42 Ca 0.28 -0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.32 2fvt s VAL 42 Cb 0.03 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 2fvt s VAL 42 CO 0.09 0.50 0.07 0.26 0.00 0.00 0.00 175.10 176.02 2fvt s TRP 43 N 0.05 2.63 -0.14 5.22 0.52 0.01 -4.95 118.94 122.28 2fvt s TRP 43 Ca 0.06 -0.39 -0.11 0.00 0.02 0.00 0.00 56.10 55.68 2fvt s TRP 43 Cb -0.12 -1.53 -0.05 0.00 -1.15 0.00 0.00 33.47 30.63 2fvt s TRP 43 CO 0.01 0.43 0.21 0.20 0.02 0.00 0.00 176.95 177.82 2fvt s GLY 44 N -3.77 2.18 -0.02 0.98 0.00 -1.26 0.02 107.32 105.45 2fvt s GLY 44 Ca 0.36 -0.55 -0.02 0.00 0.00 0.00 0.00 44.72 44.50 2fvt s GLY 44 CO 0.21 0.06 0.12 0.86 0.00 0.00 0.00 173.10 174.34 2fvt s TRP 45 N -0.21 3.40 -0.93 1.90 -0.00 -0.43 -4.85 118.94 117.82 2fvt s TRP 45 Ca 0.14 0.29 0.17 0.00 -0.00 0.00 0.00 56.10 56.71 2fvt s TRP 45 Cb -0.13 -1.79 0.74 0.00 -0.00 0.00 0.00 33.47 32.29 2fvt s TRP 45 CO 0.03 0.60 1.65 -3.47 -0.00 0.00 0.00 176.95 175.76 2fvt n ASP 46 N 1.23 4.96 -4.02 5.86 2.03 -1.26 -4.51 116.55 120.84 2fvt n ASP 46 Ca -0.13 -2.56 -0.31 0.00 0.52 0.00 0.00 54.79 52.31 2fvt n ASP 46 Cb 0.53 -0.60 -0.15 0.00 -0.72 0.00 0.00 41.12 40.18 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 -2.06 2.25 -0.92 5.18 1.01 -1.26 -4.94 120.40 119.67 2fvt s VAL 47 Ca 0.52 -2.22 0.15 0.00 0.00 0.00 0.00 61.98 60.42 2fvt s VAL 47 Cb 0.35 -2.61 0.47 0.00 0.00 0.00 0.00 36.38 34.59 2fvt s VAL 47 CO 0.23 -0.51 1.39 0.41 0.00 0.00 0.00 175.10 176.62 2fvt n THR 48 N 4.29 1.43 -3.92 3.92 -1.04 -1.26 -4.78 114.28 112.91 2fvt n THR 48 Ca 0.01 -1.22 -0.11 0.00 -2.04 0.00 0.00 64.05 60.68 2fvt n THR 48 Cb 0.42 0.27 -0.13 0.00 -1.82 0.00 0.00 70.33 69.07 2fvt n THR 48 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2fvt s LYS 49 N -1.54 0.12 1.24 -2.82 1.02 -1.26 -4.97 119.74 111.53 2fvt s LYS 49 Ca 0.35 -0.20 -0.18 0.00 0.02 0.00 0.00 55.97 55.96 2fvt s LYS 49 Cb 0.22 0.01 0.30 0.00 -0.52 0.00 0.00 37.83 37.84 2fvt s LYS 49 CO 0.18 -0.01 1.02 -1.25 -0.92 0.00 0.00 175.35 174.37 2fvt s PRO 50 N -0.47 -1.53 0.00 -1.68 0.04 -1.26 -3.71 135.00 126.39 2fvt s PRO 50 Ca -0.05 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.30 2fvt s PRO 50 Cb -0.03 -1.53 0.00 0.00 0.04 0.00 0.00 34.50 32.98 2fvt s PRO 50 CO -0.00 -4.00 0.00 0.39 0.04 0.00 0.00 177.00 173.43 2fvt n GLU 51 N -5.03 0.00 0.14 4.56 1.02 -1.26 -4.54 120.64 115.53 2fvt n GLU 51 Ca 0.09 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.36 2fvt n GLU 51 Cb 0.58 -0.26 0.45 0.00 -0.02 0.00 0.00 31.44 32.19 2fvt n GLU 51 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2fvt h GLN 52 N 0.00 0.00 -6.28 3.49 4.15 -2.02 -3.43 115.11 111.02 2fvt h GLN 52 Ca 0.00 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.86 2fvt h GLN 52 Cb 0.00 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 2fvt h GLN 52 CO 0.00 0.00 1.13 0.42 -1.93 0.00 0.00 178.83 178.45 2fvt s ILE 53 N -3.25 3.69 0.27 2.39 1.01 -1.26 -4.82 121.20 119.23 2fvt s ILE 53 Ca 0.07 0.78 0.03 0.00 0.00 0.00 0.00 60.65 61.53 2fvt s ILE 53 Cb 0.10 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.86 2fvt s ILE 53 CO 0.50 -0.29 0.30 -0.90 0.00 0.00 0.00 174.94 174.55 2fvt n ASP 54 N 8.44 -0.80 -0.20 3.58 5.75 -1.26 -5.00 116.55 127.06 2fvt n ASP 54 Ca 0.19 -2.62 -0.03 0.00 -0.01 0.00 0.00 54.79 52.31 2fvt n ASP 54 Cb 0.45 1.64 0.16 0.00 -1.03 0.00 0.00 41.12 42.34 2fvt n ASP 54 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 2fvt h ARG 55 N 0.00 0.99 -0.52 0.11 2.43 -1.94 -1.24 114.38 114.21 2fvt h ARG 55 Ca -0.20 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 58.76 2fvt h ARG 55 Cb 0.94 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 2fvt h ARG 55 CO 0.28 0.81 0.16 -0.92 -1.51 0.00 0.00 179.97 178.79 2fvt h TYR 56 N 0.97 0.85 0.00 2.20 3.20 -1.96 0.01 116.97 122.23 2fvt h TYR 56 Ca 0.23 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2fvt h TYR 56 Cb 0.19 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.22 2fvt h TYR 56 CO 0.02 0.73 0.00 -1.13 -1.64 0.00 0.00 178.16 176.13 2fvt n SER 57 N -4.47 0.59 -1.07 -2.11 3.41 -1.10 -2.77 113.62 106.10 2fvt n SER 57 Ca 0.02 0.58 0.09 0.00 -0.26 0.00 0.00 58.87 59.30 2fvt n SER 57 Cb 0.20 -0.73 0.26 0.00 -0.26 0.00 0.00 64.21 63.68 2fvt n SER 57 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2fvt n LEU 58 N -2.08 3.63 0.26 1.04 4.77 -0.49 -4.56 117.00 119.58 2fvt n LEU 58 Ca 0.05 -2.09 0.09 0.00 -0.03 0.00 0.00 56.01 54.03 2fvt n LEU 58 Cb 0.35 -0.40 0.67 0.00 -2.33 0.00 0.00 43.42 41.72 2fvt n LEU 58 CO 0.26 0.85 1.06 1.56 -1.33 0.00 0.00 177.39 179.79 2fvt h GLN 59 N 3.26 0.00 0.00 3.23 1.08 -0.85 0.28 115.11 122.11 2fvt h GLN 59 Ca 0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 2fvt h GLN 59 Cb 0.96 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.37 2fvt h GLN 59 CO 0.03 0.03 -0.39 -0.09 -0.95 0.00 0.00 178.83 177.46 2fvt h ARG 60 N 0.00 0.00 0.10 1.46 2.43 -1.84 -0.82 114.38 115.71 2fvt h ARG 60 Ca -0.00 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 2fvt h ARG 60 Cb 0.05 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.62 2fvt h ARG 60 CO 0.00 0.39 -0.94 0.28 -1.51 0.00 0.00 179.97 178.20 2fvt h VAL 61 N 0.00 1.40 -0.20 0.20 2.07 -0.85 -2.91 116.25 115.95 2fvt h VAL 61 Ca -0.00 -2.38 -0.03 0.00 0.82 0.00 0.00 66.70 65.10 2fvt h VAL 61 Cb 0.79 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 33.39 2fvt h VAL 61 CO 0.05 0.70 -0.02 -0.26 0.02 0.00 0.00 177.57 178.06 2fvt h PHE 62 N -0.04 0.30 -0.16 1.57 0.04 -0.89 0.47 116.94 118.24 2fvt h PHE 62 Ca -0.15 -0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.48 2fvt h PHE 62 Cb 1.67 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.72 2fvt h PHE 62 CO 0.15 0.33 -0.44 0.22 -0.60 0.00 0.00 178.31 177.98 2fvt h ASP 63 N 0.29 0.40 -0.50 2.17 3.58 -1.17 -2.99 116.42 118.19 2fvt h ASP 63 Ca 0.07 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.34 2fvt h ASP 63 Cb 0.24 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2fvt h ASP 63 CO 0.01 0.78 0.00 0.59 -2.88 0.00 0.00 179.24 177.74 2fvt n ASN 64 N -4.01 4.81 0.28 2.28 3.02 -0.80 -4.50 115.26 116.35 2fvt n ASN 64 Ca -0.02 -2.75 0.16 0.00 -0.03 0.00 0.00 54.58 51.94 2fvt n ASN 64 Cb 0.51 -0.59 0.76 0.00 -0.61 0.00 0.00 39.78 39.85 2fvt n ASN 64 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2fvt h ALA 65 N 3.34 1.07 -0.04 5.41 0.00 -0.77 -1.84 119.26 126.42 2fvt h ALA 65 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2fvt h ALA 65 Cb 1.61 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 2fvt h ALA 65 CO 0.32 0.08 0.04 -2.95 0.00 0.00 0.00 179.25 176.74 2fvt h ASN 66 N 0.00 0.00 -0.29 0.00 -1.07 -1.82 -0.05 115.58 112.36 2fvt h ASN 66 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2fvt h ASN 66 Cb 0.42 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.67 2fvt h ASN 66 CO 0.01 0.00 0.00 0.00 0.07 0.00 0.00 177.43 177.51 2fvt n ALA 67 N -2.41 2.42 -3.80 4.14 0.00 -0.70 -4.86 120.51 115.31 2fvt n ALA 67 Ca -0.02 -0.91 -0.34 0.00 0.00 0.00 0.00 53.44 52.17 2fvt n ALA 67 Cb 0.13 -0.78 -0.14 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.48 2.70 -0.26 0.00 1.01 -0.03 -4.43 121.20 118.71 2fvt s ILE 68 Ca 0.33 -1.46 -0.09 0.00 0.00 0.00 0.00 60.65 59.43 2fvt s ILE 68 Cb 0.20 -2.56 -0.15 0.00 0.01 0.00 0.00 42.46 39.96 2fvt s ILE 68 CO 0.29 -0.07 -0.22 -0.67 0.00 0.00 0.00 174.94 174.27 2fvt n ASP 69 N 4.56 1.97 -4.34 3.58 2.03 0.17 -4.60 116.55 119.92 2fvt n ASP 69 Ca -0.14 0.19 -0.32 0.00 0.52 0.00 0.00 54.79 55.04 2fvt n ASP 69 Cb 0.43 -0.70 -0.15 0.00 -0.72 0.00 0.00 41.12 39.97 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 -2.50 2.61 -0.23 5.18 2.01 -1.04 -0.36 115.64 121.30 2fvt s THR 70 Ca -0.36 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 60.80 2fvt s THR 70 Cb 0.12 -2.02 0.05 0.00 0.01 0.00 0.00 72.50 70.66 2fvt s THR 70 CO 0.55 0.56 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.74 2fvt s LEU 71 N -0.04 2.70 -0.21 4.42 2.96 0.11 -0.46 118.68 128.16 2fvt s LEU 71 Ca -0.05 -1.15 -0.13 0.00 -0.22 0.00 0.00 54.13 52.58 2fvt s LEU 71 Cb -0.14 -1.29 -0.05 0.00 0.50 0.00 0.00 46.19 45.21 2fvt s LEU 71 CO 0.04 -0.20 0.27 -0.63 -1.32 0.00 0.00 176.35 174.51 2fvt s ILE 72 N 1.32 5.30 -0.16 6.68 1.01 0.40 -0.33 121.20 135.42 2fvt s ILE 72 Ca -0.05 0.43 0.02 0.00 0.00 0.00 0.00 60.65 61.04 2fvt s ILE 72 Cb -0.18 -3.60 0.02 0.00 0.01 0.00 0.00 42.46 38.70 2fvt s ILE 72 CO -0.06 0.32 -0.21 -0.69 0.00 0.00 0.00 174.94 174.30 2fvt s VAL 73 N 1.03 2.03 -0.47 2.92 1.01 0.68 -0.34 120.40 127.26 2fvt s VAL 73 Ca 0.13 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 2fvt s VAL 73 Cb -0.14 -1.82 0.10 0.00 0.00 0.00 0.00 36.38 34.52 2fvt s VAL 73 CO 0.05 0.54 0.38 -0.83 0.00 0.00 0.00 175.10 175.24 2fvt s GLY 74 N 1.09 2.04 -0.13 4.51 0.00 -0.38 -1.67 107.32 112.78 2fvt s GLY 74 Ca -0.00 -2.30 0.03 0.00 0.00 0.00 0.00 44.72 42.45 2fvt s GLY 74 CO -0.08 1.08 1.18 -1.30 0.00 0.00 0.00 173.10 173.97 2fvt n THR 75 N 5.09 1.48 0.00 0.90 -2.24 -0.92 -1.24 114.28 117.35 2fvt n THR 75 Ca -0.11 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 2fvt n THR 75 Cb 0.42 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 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 0.05 0.98 0.09 3.38 0.00 -1.25 -4.27 105.19 104.18 2fvt n GLY 76 Ca 0.17 -1.18 -0.03 0.00 0.00 0.00 0.00 46.02 44.98 2fvt n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fvt h ALA 77 N 0.00 0.65 -1.97 4.61 0.00 -1.91 -2.16 119.26 118.48 2fvt h ALA 77 Ca 0.00 -0.97 -0.58 0.00 0.00 0.00 0.00 54.91 53.36 2fvt h ALA 77 Cb 0.00 0.23 -0.14 0.00 0.00 0.00 0.00 17.79 17.89 2fvt h ALA 77 CO 0.00 1.10 -0.67 0.16 0.00 0.00 0.00 179.25 179.84 2fvt s ASP 78 N -6.07 3.42 -0.52 0.00 -4.77 -1.26 -4.82 116.67 102.64 2fvt s ASP 78 Ca -0.02 -1.21 -0.19 0.00 -3.30 0.00 0.00 52.55 47.84 2fvt s ASP 78 Cb 0.08 -0.29 0.07 0.00 -1.09 0.00 0.00 42.92 41.69 2fvt s ASP 78 CO 0.81 -0.26 0.62 -0.69 0.70 0.00 0.00 175.17 176.35 2fvt s VAL 79 N -2.75 4.89 -0.23 2.11 1.01 -1.26 -4.30 120.40 119.87 2fvt s VAL 79 Ca 0.32 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 2fvt s VAL 79 Cb 0.03 -4.33 0.01 0.00 0.00 0.00 0.00 36.38 32.09 2fvt s VAL 79 CO 0.15 -0.86 1.03 0.86 0.00 0.00 0.00 175.10 176.28 2fvt s TRP 80 N 2.56 3.34 -0.34 5.22 -0.00 -1.26 -5.00 118.94 123.45 2fvt s TRP 80 Ca 0.13 1.46 -0.23 0.00 -0.00 0.00 0.00 56.10 57.46 2fvt s TRP 80 Cb -0.21 -3.27 0.01 0.00 -0.00 0.00 0.00 33.47 30.00 2fvt s TRP 80 CO 0.10 -0.48 0.78 0.42 -0.00 0.00 0.00 176.95 177.77 2fvt s ILE 81 N 3.19 4.76 0.31 5.86 -1.09 -1.26 -4.97 121.20 128.00 2fvt s ILE 81 Ca 0.44 0.99 -0.29 0.00 -2.23 0.00 0.00 60.65 59.55 2fvt s ILE 81 Cb -0.15 -4.18 -0.11 0.00 -1.58 0.00 0.00 42.46 36.44 2fvt s ILE 81 CO 0.06 -0.36 1.52 0.00 -1.23 0.00 0.00 174.94 174.93 2fvt s ALA 82 N 3.03 3.67 0.67 9.38 0.00 -1.26 -4.96 121.76 132.29 2fvt s ALA 82 Ca 0.31 1.50 -0.17 0.00 0.00 0.00 0.00 51.96 53.61 2fvt s ALA 82 Cb -0.14 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 2fvt s ALA 82 CO 0.15 -0.93 0.99 -2.30 0.00 0.00 0.00 175.76 173.67 2fvt n PRO 83 N 1.72 0.71 -0.29 0.00 -0.02 -1.26 -4.54 135.00 131.32 2fvt n PRO 83 Ca 0.06 0.29 0.10 0.00 -2.02 0.00 0.00 63.50 61.93 2fvt n PRO 83 Cb 0.39 -2.23 0.26 0.00 -0.02 0.00 0.00 33.50 31.90 2fvt n PRO 83 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2fvt h ARG 84 N 0.09 0.38 -0.25 -0.52 2.43 -1.97 0.31 114.38 114.84 2fvt h ARG 84 Ca -0.48 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 58.72 2fvt h ARG 84 Cb 1.35 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.76 2fvt h ARG 84 CO 0.49 0.25 -0.11 1.96 -1.51 0.00 0.00 179.97 181.05 2fvt h GLN 85 N 0.39 -0.06 0.07 0.20 1.08 -1.99 0.15 115.11 114.95 2fvt h GLN 85 Ca 0.50 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 57.42 2fvt h GLN 85 Cb 0.90 0.01 0.02 0.00 -0.05 0.00 0.00 27.48 28.37 2fvt h GLN 85 CO -0.50 -0.04 -1.16 1.25 -0.95 0.00 0.00 178.83 177.43 2fvt h LEU 86 N -0.06 0.88 -0.24 1.46 5.85 -1.57 -2.44 115.31 119.18 2fvt h LEU 86 Ca 0.13 -0.76 0.01 0.00 0.84 0.00 0.00 57.88 58.09 2fvt h LEU 86 Cb 0.26 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2fvt h LEU 86 CO -0.30 1.57 0.15 -0.09 -0.34 0.00 0.00 178.44 179.43 2fvt h ARG 87 N 0.32 0.30 -0.02 1.25 1.12 -0.18 -0.74 114.38 116.42 2fvt h ARG 87 Ca -0.16 -0.02 -0.16 0.00 -1.11 0.00 0.00 59.98 58.53 2fvt h ARG 87 Cb 1.82 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 31.70 2fvt h ARG 87 CO 0.22 0.20 -0.71 1.49 -3.11 0.00 0.00 179.97 178.06 2fvt h GLU 88 N 0.30 0.12 -0.33 0.20 4.81 -0.78 -1.85 114.58 117.05 2fvt h GLU 88 Ca 0.09 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2fvt h GLU 88 Cb -0.02 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2fvt h GLU 88 CO -0.03 0.78 0.13 0.00 -0.73 0.00 0.00 179.01 179.16 2fvt h ALA 89 N 1.19 0.43 -0.26 2.92 0.00 -1.08 0.18 119.26 122.64 2fvt h ALA 89 Ca -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2fvt h ALA 89 Cb 1.26 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2fvt h ALA 89 CO 0.10 0.02 0.09 -0.07 0.00 0.00 0.00 179.25 179.40 2fvt h LEU 90 N 0.39 0.37 -1.15 0.00 3.38 -1.05 -2.70 115.31 114.55 2fvt h LEU 90 Ca 0.11 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2fvt h LEU 90 Cb 0.18 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2fvt h LEU 90 CO -0.01 0.46 0.08 -0.09 0.09 0.00 0.00 178.44 178.97 2fvt h ARG 91 N 0.26 0.67 0.00 1.13 2.43 -1.23 -0.98 114.38 116.66 2fvt h ARG 91 Ca 0.08 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2fvt h ARG 91 Cb 0.22 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2fvt h ARG 91 CO -0.00 0.64 -0.13 0.78 -1.51 0.00 0.00 179.97 179.74 2fvt h GLY 92 N 0.89 0.00 -3.43 2.80 0.00 -0.36 -0.59 103.07 102.37 2fvt h GLY 92 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.40 2fvt h GLY 92 CO 0.00 0.00 0.09 1.55 0.00 0.00 0.00 176.54 178.18 2fvt n VAL 93 N -4.13 2.62 -0.30 4.60 3.14 -0.83 -4.89 118.33 118.54 2fvt n VAL 93 Ca -0.02 -1.36 0.00 0.00 -2.96 0.00 0.00 64.34 60.00 2fvt n VAL 93 Cb 0.21 -0.33 0.00 0.00 -1.06 0.00 0.00 33.84 32.66 2fvt n VAL 93 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2fvt n ASN 94 N 0.33 0.00 -4.58 6.55 5.15 -0.23 -4.96 115.26 117.53 2fvt n ASN 94 Ca 0.30 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.87 2fvt n ASN 94 Cb 1.20 -0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 40.42 2fvt n ASN 94 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2fvt s VAL 95 N -3.29 3.54 -0.66 3.44 1.01 -0.43 -4.74 120.40 119.26 2fvt s VAL 95 Ca 0.00 0.48 -0.27 0.00 0.00 0.00 0.00 61.98 62.19 2fvt s VAL 95 Cb 0.00 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2fvt s VAL 95 CO 0.00 -0.75 1.57 -0.69 0.00 0.00 0.00 175.10 175.23 2fvt s VAL 96 N 7.31 3.55 -0.09 2.92 1.01 0.51 -3.55 120.40 132.07 2fvt s VAL 96 Ca 0.69 0.34 -0.30 0.00 0.00 0.00 0.00 61.98 62.71 2fvt s VAL 96 Cb -0.16 -4.41 -0.02 0.00 0.00 0.00 0.00 36.38 31.80 2fvt s VAL 96 CO 0.28 -1.34 1.02 -0.22 0.00 0.00 0.00 175.10 174.84 2fvt s LEU 97 N 7.34 4.26 -0.14 3.92 2.96 -1.26 0.06 118.68 135.81 2fvt s LEU 97 Ca 0.52 1.57 -0.00 0.00 -0.22 0.00 0.00 54.13 56.00 2fvt s LEU 97 Cb -0.11 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 43.06 2fvt s LEU 97 CO 0.19 -0.44 -0.07 -0.62 -1.32 0.00 0.00 176.35 174.09 2fvt s ASP 98 N 1.12 2.58 -0.08 3.68 2.15 0.55 -4.95 116.67 121.72 2fvt s ASP 98 Ca 0.49 -0.51 0.04 0.00 0.43 0.00 0.00 52.55 53.00 2fvt s ASP 98 Cb -0.19 -0.92 -0.01 0.00 -0.30 0.00 0.00 42.92 41.50 2fvt s ASP 98 CO 0.19 -0.15 -0.21 -0.89 -0.17 0.00 0.00 175.17 173.95 2fvt s THR 99 N 1.64 2.38 0.04 1.71 2.01 -1.26 -0.23 115.64 121.93 2fvt s THR 99 Ca 0.03 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 61.06 2fvt s THR 99 Cb -0.14 -1.91 0.01 0.00 0.01 0.00 0.00 72.50 70.47 2fvt s THR 99 CO -0.08 0.56 0.15 1.15 -0.69 0.00 0.00 174.62 175.72 2fvt n MET 100 N 3.05 0.13 -1.78 4.92 0.00 -0.67 -4.98 117.12 117.78 2fvt n MET 100 Ca -0.18 -0.27 -0.36 0.00 0.00 0.00 0.00 57.70 56.89 2fvt n MET 100 Cb 0.52 0.36 0.06 0.00 0.00 0.00 0.00 33.22 34.16 2fvt n MET 100 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2fvt s GLN 101 N -2.01 2.63 0.21 3.17 1.11 -1.26 -2.15 119.66 121.35 2fvt s GLN 101 Ca 0.03 1.91 -0.09 0.00 0.01 0.00 0.00 55.36 57.22 2fvt s GLN 101 Cb -0.01 -1.87 0.25 0.00 -1.01 0.00 0.00 33.01 30.37 2fvt s GLN 101 CO 0.01 -1.50 1.79 1.15 0.01 0.00 0.00 175.29 176.75 2fvt h THR 102 N 0.50 0.91 0.34 -0.19 2.02 -1.62 -1.11 112.91 113.75 2fvt h THR 102 Ca -0.50 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 2fvt h THR 102 Cb 1.31 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2fvt h THR 102 CO 0.53 0.11 -0.27 1.23 0.37 0.00 0.00 175.52 177.48 2fvt h GLY 103 N 0.59 -0.96 0.20 2.16 0.00 -1.92 -0.82 103.07 102.33 2fvt h GLY 103 Ca 0.30 0.42 0.18 0.00 0.00 0.00 0.00 47.33 48.24 2fvt h GLY 103 CO -0.22 -0.32 0.61 -2.55 0.00 0.00 0.00 176.54 174.07 2fvt h PRO 104 N -0.59 0.70 -0.68 4.80 0.11 -1.94 -2.04 132.00 132.37 2fvt h PRO 104 Ca -0.04 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.04 2fvt h PRO 104 Cb 0.50 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.41 2fvt h PRO 104 CO 0.00 0.47 0.44 0.00 -0.21 0.00 0.00 178.00 178.69 2fvt h ALA 105 N 1.62 0.87 -0.88 -0.75 0.00 -0.83 -0.66 119.26 118.63 2fvt h ALA 105 Ca 0.55 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 2fvt h ALA 105 Cb 0.91 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2fvt h ALA 105 CO -0.33 0.24 0.49 0.82 0.00 0.00 0.00 179.25 180.47 2fvt h ILE 106 N 0.87 1.25 -0.15 0.00 2.04 -0.44 -0.80 117.51 120.29 2fvt h ILE 106 Ca 0.26 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 2fvt h ILE 106 Cb -0.05 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.08 2fvt h ILE 106 CO -0.08 0.28 0.05 -0.09 0.00 0.00 0.00 178.15 178.32 2fvt h ARG 107 N 1.23 0.23 -0.68 2.37 9.65 -0.91 -1.71 114.38 124.55 2fvt h ARG 107 Ca 0.31 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 59.09 2fvt h ARG 107 Cb 0.02 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.53 2fvt h ARG 107 CO -0.05 0.34 0.20 1.79 2.80 0.00 0.00 179.97 185.05 2fvt h THR 108 N 0.07 1.25 -0.95 0.20 1.35 -1.03 -2.43 112.91 111.36 2fvt h THR 108 Ca 0.05 -0.88 0.08 0.00 -0.55 0.00 0.00 66.41 65.11 2fvt h THR 108 Cb 0.20 0.51 -0.07 0.00 -1.73 0.00 0.00 68.15 67.06 2fvt h THR 108 CO -0.00 0.34 0.60 0.22 -0.25 0.00 0.00 175.52 176.43 2fvt h TYR 109 N 1.01 1.10 -0.68 4.73 3.20 -0.85 0.93 116.97 126.41 2fvt h TYR 109 Ca 0.22 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.07 2fvt h TYR 109 Cb 0.30 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 2fvt h TYR 109 CO 0.02 0.53 0.22 -0.91 -1.64 0.00 0.00 178.16 176.39 2fvt h ASN 110 N 1.05 0.98 -0.27 -2.11 -0.26 -0.86 -2.94 115.58 111.17 2fvt h ASN 110 Ca 0.43 -0.20 -0.03 0.00 -0.56 0.00 0.00 56.30 55.93 2fvt h ASN 110 Cb 0.24 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.24 2fvt h ASN 110 CO -0.20 0.92 0.04 0.40 -1.06 0.00 0.00 177.43 177.53 2fvt h ILE 111 N 0.99 1.23 -0.26 2.81 2.04 -0.77 -3.12 117.51 120.44 2fvt h ILE 111 Ca 0.22 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.29 2fvt h ILE 111 Cb 0.29 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2fvt h ILE 111 CO -0.01 0.26 0.17 0.24 0.00 0.00 0.00 178.15 178.81 2fvt h MET 112 N 0.26 0.31 -0.67 2.37 2.86 -0.76 -1.83 114.93 117.47 2fvt h MET 112 Ca 0.08 -0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.86 2fvt h MET 112 Cb 0.35 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 2fvt h MET 112 CO 0.01 0.20 0.46 0.82 1.06 0.00 0.00 176.91 179.46 2fvt h ILE 113 N 0.31 0.76 -0.78 -1.22 1.08 -1.45 0.23 117.51 116.45 2fvt h ILE 113 Ca 0.10 -0.08 -0.56 0.00 -0.39 0.00 0.00 64.86 63.93 2fvt h ILE 113 Cb 0.01 0.51 -0.38 0.00 -3.07 0.00 0.00 36.82 33.90 2fvt h ILE 113 CO -0.02 0.04 -0.40 0.61 -0.69 0.00 0.00 178.15 177.70 2fvt n GLY 114 N -1.58 6.21 0.92 5.37 0.00 -0.69 -4.52 105.19 110.91 2fvt n GLY 114 Ca 0.13 -2.51 0.00 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.78 0.00 -3.28 1.61 2.13 -0.52 -5.04 120.64 114.76 2fvt n GLU 115 Ca 0.48 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 58.12 2fvt n GLU 115 Cb 0.90 -0.05 -0.07 0.00 0.27 0.00 0.00 31.44 32.49 2fvt n GLU 115 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2fvt s ARG 116 N -1.46 0.77 1.39 5.31 3.52 0.69 -5.08 118.95 124.09 2fvt s ARG 116 Ca 0.00 -1.18 -0.23 0.00 -0.13 0.00 0.00 55.73 54.18 2fvt s ARG 116 Cb 0.00 -0.78 0.35 0.00 -1.56 0.00 0.00 34.95 32.96 2fvt s ARG 116 CO 0.00 -1.26 0.98 1.03 -0.81 0.00 0.00 175.30 175.24 2fvt s ARG 117 N 1.02 -2.70 -0.99 5.12 0.52 -1.20 -4.08 118.95 116.64 2fvt s ARG 117 Ca 0.23 -0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.41 2fvt s ARG 117 Cb -0.09 -1.42 0.00 0.00 0.52 0.00 0.00 34.95 33.96 2fvt s ARG 117 CO -0.06 -4.69 0.00 0.54 0.02 0.00 0.00 175.30 171.10 2fvt n ARG 118 N -5.47 -0.90 -4.08 3.54 3.00 -1.26 -4.80 116.66 106.69 2fvt n ARG 118 Ca 0.14 0.58 -0.35 0.00 -0.01 0.00 0.00 57.85 58.21 2fvt n ARG 118 Cb 0.60 -4.70 -0.09 0.00 0.00 0.00 0.00 32.46 28.27 2fvt n ARG 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2fvt s VAL 119 N -2.56 4.73 0.19 1.55 0.11 -1.26 0.46 120.40 123.63 2fvt s VAL 119 Ca 0.00 -0.06 0.10 0.00 -2.93 0.00 0.00 61.98 59.09 2fvt s VAL 119 Cb 0.00 -3.09 -0.04 0.00 -1.53 0.00 0.00 36.38 31.71 2fvt s VAL 119 CO 0.00 0.51 -0.17 0.00 -3.33 0.00 0.00 175.10 172.11 2fvt s ALA 120 N -0.04 2.75 -0.17 1.54 0.00 0.40 -4.20 121.76 122.03 2fvt s ALA 120 Ca 0.06 -1.57 -0.00 0.00 0.00 0.00 0.00 51.96 50.44 2fvt s ALA 120 Cb -0.12 -0.52 0.04 0.00 0.00 0.00 0.00 23.12 22.52 2fvt s ALA 120 CO 0.01 0.44 -0.06 0.00 0.00 0.00 0.00 175.76 176.15 2fvt s ALA 121 N -1.74 1.56 -0.69 0.00 0.00 0.48 -0.45 121.76 120.91 2fvt s ALA 121 Ca 0.23 -0.90 -0.18 0.00 0.00 0.00 0.00 51.96 51.11 2fvt s ALA 121 Cb -0.08 -1.16 0.13 0.00 0.00 0.00 0.00 23.12 22.01 2fvt s ALA 121 CO 0.13 -0.82 0.78 0.00 0.00 0.00 0.00 175.76 175.85 2fvt s ALA 122 N 1.60 3.54 -0.22 0.00 0.00 0.54 -0.39 121.76 126.83 2fvt s ALA 122 Ca 0.00 -2.53 -0.06 0.00 0.00 0.00 0.00 51.96 49.37 2fvt s ALA 122 Cb -0.16 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.33 2fvt s ALA 122 CO -0.08 -2.43 0.01 -0.51 0.00 0.00 0.00 175.76 172.75 2fvt s LEU 123 N 2.19 3.26 -0.14 0.00 1.43 -0.83 -1.25 118.68 123.35 2fvt s LEU 123 Ca 0.16 -0.23 -0.05 0.00 -1.03 0.00 0.00 54.13 52.98 2fvt s LEU 123 Cb -0.19 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 2fvt s LEU 123 CO 0.01 0.02 0.05 -0.63 0.23 0.00 0.00 176.35 176.03 2fvt s ILE 124 N 1.25 4.68 0.46 -0.59 1.01 -0.37 -1.70 121.20 125.94 2fvt s ILE 124 Ca 0.04 -0.09 -0.24 0.00 0.00 0.00 0.00 60.65 60.35 2fvt s ILE 124 Cb -0.15 -3.05 -0.07 0.00 0.01 0.00 0.00 42.46 39.20 2fvt s ILE 124 CO 0.01 0.53 1.36 0.00 0.00 0.00 0.00 174.94 176.85 2fvt s ALA 125 N -0.24 3.12 0.03 9.38 0.00 0.12 -3.78 121.76 130.38 2fvt s ALA 125 Ca 0.07 1.33 -0.30 0.00 0.00 0.00 0.00 51.96 53.07 2fvt s ALA 125 Cb -0.12 -3.54 -0.08 0.00 0.00 0.00 0.00 23.12 19.38 2fvt s ALA 125 CO 0.02 -1.10 1.71 0.08 0.00 0.00 0.00 175.76 176.47 2fvt s VAL 126 N -1.27 3.19 0.41 0.00 1.01 -1.26 -4.67 120.40 117.81 2fvt s VAL 126 Ca 0.63 0.46 -0.24 0.00 0.00 0.00 0.00 61.98 62.83 2fvt s VAL 126 Cb -0.40 -3.30 -0.11 0.00 0.00 0.00 0.00 36.38 32.57 2fvt s VAL 126 CO 0.51 -0.02 0.88 -2.65 0.00 0.00 0.00 175.10 173.81 2fvt n PRO 127 N 6.42 1.10 -2.51 2.72 -0.02 -1.26 -4.60 135.00 136.85 2fvt n PRO 127 Ca 0.17 0.40 -0.40 0.00 -2.02 0.00 0.00 63.50 61.64 2fvt n PRO 127 Cb 0.41 -1.87 -0.02 0.00 -0.02 0.00 0.00 33.50 32.00 2fvt n PRO 127 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2fvt s LEU 128 N 0.15 3.62 -0.10 2.45 1.02 -1.26 -4.70 118.68 119.85 2fvt s LEU 128 Ca 0.63 -1.91 -0.21 0.00 0.02 0.00 0.00 54.13 52.67 2fvt s LEU 128 Cb -0.58 -2.58 -0.27 0.00 0.02 0.00 0.00 46.19 42.78 2fvt s LEU 128 CO 0.57 -1.51 0.66 -0.33 0.02 0.00 0.00 176.35 175.75 2fvt h GLU 129 N 8.80 0.19 0.00 1.70 5.08 -1.99 -3.38 114.58 124.98 2fvt h GLU 129 Ca 0.32 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2fvt h GLU 129 Cb 0.94 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2fvt h GLU 129 CO 1.42 1.16 -0.78 0.72 -1.00 0.00 0.00 179.01 180.53 2fvt n HIS 130 N -4.16 0.27 -3.92 4.33 8.25 -1.26 -4.48 115.22 114.24 2fvt n HIS 130 Ca -0.20 0.08 -0.29 0.00 -0.26 0.00 0.00 57.72 57.05 2fvt n HIS 130 Cb 0.78 -0.43 -0.13 0.00 1.12 0.00 0.00 29.99 31.33 2fvt n HIS 130 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2fvt s HIS 131 N -3.13 3.39 -0.38 4.41 3.76 -1.26 -5.03 115.29 117.05 2fvt s HIS 131 Ca 0.06 -3.26 0.02 0.00 -0.15 0.00 0.00 55.06 51.74 2fvt s HIS 131 Cb 0.15 -2.78 0.11 0.00 1.11 0.00 0.00 32.58 31.18 2fvt s HIS 131 CO 0.76 -0.64 0.14 -3.38 -0.85 0.00 0.00 174.74 170.76 2fvt s HIS 132 N -0.89 2.49 0.00 1.40 -3.43 -1.26 -4.73 115.29 108.87 2fvt s HIS 132 Ca 0.21 -2.42 0.00 0.00 -0.80 0.00 0.00 55.06 52.05 2fvt s HIS 132 Cb -0.15 -2.21 0.00 0.00 -1.43 0.00 0.00 32.58 28.79 2fvt s HIS 132 CO -0.08 -0.86 0.00 -2.39 -2.00 0.00 0.00 174.74 169.41 2fvt n HIS 133 N 4.14 0.00 -3.41 0.38 1.44 -1.26 -5.14 115.22 111.36 2fvt n HIS 133 Ca 0.03 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.34 2fvt n HIS 133 Cb 0.39 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.40 2fvt n HIS 133 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2fvt s HIS 134 N 0.00 3.22 0.00 -1.40 5.04 -1.26 -5.31 115.29 115.58 2fvt s HIS 134 Ca 0.00 0.18 0.00 0.00 -1.54 0.00 0.00 55.06 53.70 2fvt s HIS 134 Cb 0.00 -2.61 0.00 0.00 0.04 0.00 0.00 32.58 30.01 2fvt s HIS 134 CO 0.00 -0.32 0.00 1.58 -2.34 0.00 0.00 174.74 173.66