#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 3.37 0.41 3.17 0.00 -1.26 -5.05 121.76 122.40 2fvt s ALA 2 Ca 0.00 0.42 -0.22 0.00 0.00 0.00 0.00 51.96 52.16 2fvt s ALA 2 Cb 0.00 -3.03 -0.11 0.00 0.00 0.00 0.00 23.12 19.98 2fvt s ALA 2 CO 0.00 0.26 0.95 -0.65 0.00 0.00 0.00 175.76 176.32 2fvt s GLN 3 N -1.50 4.28 -0.40 0.00 -0.21 -1.26 -4.52 119.66 116.05 2fvt s GLN 3 Ca 0.41 1.16 -0.13 0.00 0.02 0.00 0.00 55.36 56.82 2fvt s GLN 3 Cb -0.22 -2.28 0.02 0.00 1.00 0.00 0.00 33.01 31.53 2fvt s GLN 3 CO 0.26 0.02 0.47 0.54 -2.12 0.00 0.00 175.29 174.45 2fvt n ARG 4 N -0.45 -2.61 -2.47 2.91 5.12 -1.26 -4.91 116.66 112.98 2fvt n ARG 4 Ca 0.06 2.25 -0.43 0.00 -1.93 0.00 0.00 57.85 57.81 2fvt n ARG 4 Cb 0.53 -5.51 -0.02 0.00 -1.16 0.00 0.00 32.46 26.30 2fvt n ARG 4 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2fvt s SER 5 N -2.36 6.87 0.07 0.55 0.01 -1.26 -4.94 113.70 112.64 2fvt s SER 5 Ca 0.20 1.43 -0.33 0.00 1.31 0.00 0.00 55.95 58.57 2fvt s SER 5 Cb -0.05 -2.54 -0.19 0.00 0.21 0.00 0.00 66.02 63.45 2fvt s SER 5 CO 0.77 -0.87 1.60 -0.08 0.41 0.00 0.00 173.24 175.08 2fvt h GLU 6 N 8.46 -0.86 -4.63 12.44 4.81 -1.98 -3.39 114.58 129.43 2fvt h GLU 6 Ca -0.25 0.06 -0.69 0.00 -0.13 0.00 0.00 59.36 58.35 2fvt h GLU 6 Cb 1.09 0.20 -0.33 0.00 0.63 0.00 0.00 28.75 30.34 2fvt h GLU 6 CO 1.00 -0.57 -0.62 0.42 -0.73 0.00 0.00 179.01 178.51 2fvt s ILE 7 N -5.98 3.25 -0.68 2.32 1.01 -1.26 -5.05 121.20 114.81 2fvt s ILE 7 Ca -0.17 -1.65 -0.27 0.00 0.00 0.00 0.00 60.65 58.56 2fvt s ILE 7 Cb 0.03 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.47 2fvt s ILE 7 CO 0.61 -0.38 1.60 -2.84 0.00 0.00 0.00 174.94 173.93 2fvt s PRO 8 N 1.23 2.88 0.14 2.79 0.02 -1.26 -4.90 135.00 135.90 2fvt s PRO 8 Ca 0.01 0.20 -0.04 0.00 0.02 0.00 0.00 61.00 61.19 2fvt s PRO 8 Cb -0.21 -4.32 0.02 0.00 0.02 0.00 0.00 34.50 30.01 2fvt s PRO 8 CO -0.02 -2.48 0.27 0.72 -0.33 0.00 0.00 177.00 175.16 2fvt n HIS 9 N 11.24 -1.36 -2.14 6.54 8.25 -1.26 -5.14 115.22 131.35 2fvt n HIS 9 Ca 0.13 -0.72 -0.38 0.00 -0.26 0.00 0.00 57.72 56.49 2fvt n HIS 9 Cb 0.51 0.31 -0.00 0.00 1.12 0.00 0.00 29.99 31.93 2fvt n HIS 9 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2fvt s PHE 10 N -6.03 2.80 -1.32 4.41 0.40 -1.26 -4.89 117.98 112.09 2fvt s PHE 10 Ca 0.07 1.49 0.00 0.00 -0.60 0.00 0.00 56.93 57.88 2fvt s PHE 10 Cb -0.02 -3.51 0.00 0.00 0.51 0.00 0.00 43.02 40.00 2fvt s PHE 10 CO 0.05 -1.83 0.42 -0.35 0.70 0.00 0.00 175.22 174.21 2fvt n PRO 11 N -0.36 0.64 -2.94 0.24 -0.04 -1.26 -4.83 135.00 126.45 2fvt n PRO 11 Ca 0.07 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.41 2fvt n PRO 11 Cb 0.46 -1.22 0.01 0.00 -0.04 0.00 0.00 33.50 32.72 2fvt n PRO 11 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2fvt n ARG 12 N -0.03 -2.36 -3.06 0.54 0.63 -1.26 -4.91 116.66 106.21 2fvt n ARG 12 Ca 0.00 2.05 -0.42 0.00 -0.92 0.00 0.00 57.85 58.56 2fvt n ARG 12 Cb 0.11 -5.17 -0.06 0.00 0.45 0.00 0.00 32.46 27.79 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 -2.42 4.80 -1.86 5.15 2.01 -1.26 -4.89 115.64 117.17 2fvt s THR 13 Ca 0.26 0.46 0.25 0.00 0.31 0.00 0.00 61.69 62.97 2fvt s THR 13 Cb -0.06 -4.18 0.15 0.00 0.01 0.00 0.00 72.50 68.42 2fvt s THR 13 CO 0.78 -0.49 1.36 0.00 -0.69 0.00 0.00 174.62 175.58 2fvt n ALA 14 N 6.29 3.30 -3.68 7.40 0.00 -1.26 -4.86 120.51 127.70 2fvt n ALA 14 Ca -0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 53.44 52.83 2fvt n ALA 14 Cb 0.48 -0.99 -0.11 0.00 0.00 0.00 0.00 19.45 18.84 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 -2.50 -1.05 0.21 0.00 0.00 -1.26 -4.69 121.76 112.47 2fvt s ALA 15 Ca 0.22 1.49 -0.31 0.00 0.00 0.00 0.00 51.96 53.36 2fvt s ALA 15 Cb 0.19 -1.03 -0.10 0.00 0.00 0.00 0.00 23.12 22.17 2fvt s ALA 15 CO 0.55 -0.41 1.53 0.42 0.00 0.00 0.00 175.76 177.85 2fvt s ILE 16 N 1.76 2.54 -0.00 0.00 1.09 -1.26 -4.83 121.20 120.49 2fvt s ILE 16 Ca -0.07 0.42 -0.16 0.00 -1.10 0.00 0.00 60.65 59.74 2fvt s ILE 16 Cb -0.09 -3.27 -0.34 0.00 -1.06 0.00 0.00 42.46 37.70 2fvt s ILE 16 CO -0.13 0.05 0.91 -0.78 -0.10 0.00 0.00 174.94 174.89 2fvt h ASP 17 N 5.90 0.73 -5.25 3.58 3.58 -1.38 -3.49 116.42 120.08 2fvt h ASP 17 Ca -0.44 -0.93 0.12 0.00 0.42 0.00 0.00 57.03 56.20 2fvt h ASP 17 Cb 1.21 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 41.98 2fvt h ASP 17 CO 0.85 1.67 0.44 0.00 -2.88 0.00 0.00 179.24 179.32 2fvt s ALA 18 N -2.56 -1.41 -0.05 -0.78 0.00 0.04 -4.98 121.76 112.02 2fvt s ALA 18 Ca -0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 51.96 51.61 2fvt s ALA 18 Cb 0.04 0.71 0.03 0.00 0.00 0.00 0.00 23.12 23.89 2fvt s ALA 18 CO 0.90 -1.04 0.01 -0.47 0.00 0.00 0.00 175.76 175.16 2fvt s TYR 19 N -2.87 0.45 -0.02 0.00 5.04 -1.26 -0.14 117.35 118.55 2fvt s TYR 19 Ca 0.15 -0.03 0.01 0.00 -2.44 0.00 0.00 57.07 54.76 2fvt s TYR 19 Cb -0.03 -0.62 0.01 0.00 0.35 0.00 0.00 41.96 41.67 2fvt s TYR 19 CO 0.05 -0.23 -0.04 0.20 -1.34 0.00 0.00 175.55 174.19 2fvt s GLY 20 N 1.67 0.32 0.00 8.97 0.00 -0.62 -4.98 107.32 112.68 2fvt s GLY 20 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.59 2fvt s GLY 20 CO -0.03 0.10 0.00 0.28 0.00 0.00 0.00 173.10 173.45 2fvt n LYS 21 N 3.44 0.00 -2.42 2.90 5.02 -1.26 -1.67 118.16 124.17 2fvt n LYS 21 Ca -0.19 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.09 2fvt n LYS 21 Cb 0.55 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.62 2fvt n LYS 21 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2fvt n GLY 22 N 0.00 1.66 3.29 0.72 0.00 -1.26 -4.98 105.19 104.62 2fvt n GLY 22 Ca 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 2fvt n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fvt s GLY 23 N -2.25 -0.19 0.11 -0.02 0.00 -0.67 -3.34 107.32 100.97 2fvt s GLY 23 Ca 0.18 -0.09 -0.13 0.00 0.00 0.00 0.00 44.72 44.68 2fvt s GLY 23 CO -0.09 -0.33 0.50 -1.36 0.00 0.00 0.00 173.10 171.82 2fvt s PHE 24 N -3.47 3.62 -0.08 1.90 0.40 0.03 -1.59 117.98 118.80 2fvt s PHE 24 Ca 0.01 0.99 0.04 0.00 -0.60 0.00 0.00 56.93 57.38 2fvt s PHE 24 Cb 0.02 -2.31 -0.00 0.00 0.51 0.00 0.00 43.02 41.23 2fvt s PHE 24 CO -0.09 0.48 -0.23 -0.47 0.70 0.00 0.00 175.22 175.61 2fvt s TYR 25 N -1.40 2.34 0.36 0.36 5.04 0.80 -0.51 117.35 124.34 2fvt s TYR 25 Ca 0.35 -0.86 0.04 0.00 -2.44 0.00 0.00 57.07 54.16 2fvt s TYR 25 Cb -0.15 -1.57 -0.03 0.00 0.35 0.00 0.00 41.96 40.56 2fvt s TYR 25 CO 0.18 -0.33 0.17 -0.59 -1.34 0.00 0.00 175.55 173.65 2fvt s PHE 26 N 0.21 1.72 -0.55 4.97 -0.12 -1.21 -0.78 117.98 122.23 2fvt s PHE 26 Ca -0.13 -1.40 -0.26 0.00 -0.05 0.00 0.00 56.93 55.09 2fvt s PHE 26 Cb -0.16 -0.96 -0.08 0.00 -0.63 0.00 0.00 43.02 41.18 2fvt s PHE 26 CO 0.06 -0.50 2.43 0.00 -0.05 0.00 0.00 175.22 177.16 2fvt n ALA 27 N -0.74 0.71 0.00 1.99 0.00 -1.26 -3.26 120.51 117.95 2fvt n ALA 27 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.45 2fvt n ALA 27 Cb 0.64 -3.19 0.00 0.00 0.00 0.00 0.00 19.45 16.90 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 6.12 1.74 3.22 0.00 0.00 -1.26 -4.82 105.19 110.18 2fvt n GLY 28 Ca 0.39 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 0.83 0.13 1.61 -2.45 -1.20 -5.16 119.30 113.06 2fvt s MET 29 Ca 0.00 -0.83 -0.01 0.00 -1.25 0.00 0.00 55.69 53.60 2fvt s MET 29 Cb 0.00 0.34 -0.04 0.00 1.25 0.00 0.00 34.83 36.38 2fvt s MET 29 CO 0.00 -0.27 0.31 0.45 1.05 0.00 0.00 175.02 176.57 2fvt s SER 30 N -2.63 6.40 -0.07 1.11 0.15 -1.26 -3.28 113.70 114.12 2fvt s SER 30 Ca 0.02 0.38 -0.03 0.00 0.70 0.00 0.00 55.95 57.02 2fvt s SER 30 Cb 0.03 -2.00 0.04 0.00 -1.71 0.00 0.00 66.02 62.38 2fvt s SER 30 CO -0.09 0.06 0.16 -1.00 1.20 0.00 0.00 173.24 173.57 2fvt s HIS 31 N -1.68 -0.19 0.46 3.44 3.76 0.33 -4.99 115.29 116.43 2fvt s HIS 31 Ca 0.38 0.54 -0.02 0.00 -0.15 0.00 0.00 55.06 55.81 2fvt s HIS 31 Cb -0.12 -0.10 -0.01 0.00 1.11 0.00 0.00 32.58 33.45 2fvt s HIS 31 CO 0.27 -0.20 0.71 -0.65 -0.85 0.00 0.00 174.74 174.03 2fvt s GLN 32 N 1.41 3.19 0.00 1.40 -0.21 -1.26 -0.79 119.66 123.41 2fvt s GLN 32 Ca -0.07 -0.26 0.00 0.00 0.02 0.00 0.00 55.36 55.05 2fvt s GLN 32 Cb -0.12 -2.50 0.00 0.00 1.00 0.00 0.00 33.01 31.40 2fvt s GLN 32 CO -0.06 -0.26 0.00 0.41 -2.12 0.00 0.00 175.29 173.26 2fvt n GLY 33 N -2.14 0.98 3.35 3.09 0.00 -1.21 -4.92 105.19 104.33 2fvt n GLY 33 Ca 0.01 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 2fvt n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2fvt s SER 34 N -4.00 -0.43 -0.03 1.61 0.15 -1.26 -0.60 113.70 109.14 2fvt s SER 34 Ca 0.00 0.71 0.05 0.00 0.70 0.00 0.00 55.95 57.41 2fvt s SER 34 Cb 0.00 0.75 -0.01 0.00 -1.71 0.00 0.00 66.02 65.05 2fvt s SER 34 CO 0.00 -0.28 -0.17 -0.76 1.20 0.00 0.00 173.24 173.24 2fvt s LEU 35 N -0.29 1.97 -0.43 3.45 1.43 -0.65 -1.28 118.68 122.88 2fvt s LEU 35 Ca -0.04 -0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 52.60 2fvt s LEU 35 Cb -0.03 -0.90 0.05 0.00 0.03 0.00 0.00 46.19 45.34 2fvt s LEU 35 CO 0.03 0.18 0.32 -0.76 0.23 0.00 0.00 176.35 176.34 2fvt s LEU 36 N -0.19 5.26 -0.66 1.79 1.43 0.11 -1.96 118.68 124.46 2fvt s LEU 36 Ca 0.02 -1.16 -0.22 0.00 -1.03 0.00 0.00 54.13 51.74 2fvt s LEU 36 Cb -0.09 -2.13 0.08 0.00 0.03 0.00 0.00 46.19 44.08 2fvt s LEU 36 CO 0.01 -0.53 0.94 -0.36 0.23 0.00 0.00 176.35 176.63 2fvt s PHE 37 N 1.61 2.73 0.31 0.29 0.40 0.96 -0.46 117.98 123.82 2fvt s PHE 37 Ca 0.04 -0.64 0.04 0.00 -0.60 0.00 0.00 56.93 55.77 2fvt s PHE 37 Cb -0.22 -4.26 -0.02 0.00 0.51 0.00 0.00 43.02 39.03 2fvt s PHE 37 CO 0.07 -1.60 0.46 -0.51 0.70 0.00 0.00 175.22 174.35 2fvt s LEU 38 N 3.83 4.08 0.34 -0.37 1.43 -0.51 -1.27 118.68 126.23 2fvt s LEU 38 Ca 0.21 0.08 0.24 0.00 -1.03 0.00 0.00 54.13 53.63 2fvt s LEU 38 Cb -0.17 -2.94 1.25 0.00 0.03 0.00 0.00 46.19 44.36 2fvt s LEU 38 CO 0.09 -0.29 1.72 -0.65 0.23 0.00 0.00 176.35 177.44 2fvt h PRO 39 N 0.92 0.00 0.00 1.29 0.11 -1.92 -3.07 132.00 129.33 2fvt h PRO 39 Ca -0.49 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 2fvt h PRO 39 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2fvt h PRO 39 CO 0.58 0.00 -1.00 -0.25 -0.21 0.00 0.00 178.00 177.12 2fvt n ASP 40 N -2.32 1.89 -2.78 -2.05 8.00 -1.26 -5.10 116.55 112.93 2fvt n ASP 40 Ca -0.01 0.45 -0.10 0.00 0.71 0.00 0.00 54.79 55.84 2fvt n ASP 40 Cb 0.05 -0.81 0.02 0.00 -0.02 0.00 0.00 41.12 40.36 2fvt n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fvt n ALA 41 N -4.06 -1.45 -2.75 2.24 0.00 -1.16 -4.80 120.51 108.53 2fvt n ALA 41 Ca -0.17 -1.31 -0.35 0.00 0.00 0.00 0.00 53.44 51.61 2fvt n ALA 41 Cb 0.48 1.04 -0.08 0.00 0.00 0.00 0.00 19.45 20.89 2fvt n ALA 41 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2fvt s VAL 42 N -2.26 5.30 0.47 0.00 1.01 -1.26 -1.42 120.40 122.24 2fvt s VAL 42 Ca 0.18 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.33 2fvt s VAL 42 Cb -0.04 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 2fvt s VAL 42 CO 0.13 0.45 0.05 0.26 0.00 0.00 0.00 175.10 175.99 2fvt s TRP 43 N 0.34 1.86 -0.03 5.22 0.52 0.39 -4.85 118.94 122.39 2fvt s TRP 43 Ca 0.07 -1.06 -0.02 0.00 0.02 0.00 0.00 56.10 55.12 2fvt s TRP 43 Cb -0.11 -1.46 -0.04 0.00 -1.15 0.00 0.00 33.47 30.71 2fvt s TRP 43 CO -0.02 0.06 0.10 0.20 0.02 0.00 0.00 176.95 177.31 2fvt s GLY 44 N -3.78 2.04 -0.12 0.98 0.00 -1.26 0.06 107.32 105.24 2fvt s GLY 44 Ca 0.13 -0.82 -0.01 0.00 0.00 0.00 0.00 44.72 44.02 2fvt s GLY 44 CO 0.07 -0.67 -0.09 0.86 0.00 0.00 0.00 173.10 173.28 2fvt s TRP 45 N -1.16 2.89 -2.03 1.90 -0.00 -0.41 -4.73 118.94 115.40 2fvt s TRP 45 Ca 0.22 -0.36 0.18 0.00 -0.00 0.00 0.00 56.10 56.14 2fvt s TRP 45 Cb -0.12 -1.83 1.02 0.00 -0.00 0.00 0.00 33.47 32.54 2fvt s TRP 45 CO 0.12 -0.01 1.67 -3.47 -0.00 0.00 0.00 176.95 175.26 2fvt n ASP 46 N 3.15 0.21 -4.40 5.86 2.03 -1.26 -4.04 116.55 118.10 2fvt n ASP 46 Ca -0.18 -1.48 -0.45 0.00 0.52 0.00 0.00 54.79 53.21 2fvt n ASP 46 Cb 0.53 -0.01 -0.02 0.00 -0.72 0.00 0.00 41.12 40.89 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 -1.97 5.15 -1.26 5.18 1.01 -1.26 -4.83 120.40 122.41 2fvt s VAL 47 Ca 0.27 -2.09 0.29 0.00 0.00 0.00 0.00 61.98 60.45 2fvt s VAL 47 Cb 0.13 -4.66 0.32 0.00 0.00 0.00 0.00 36.38 32.17 2fvt s VAL 47 CO 0.21 -1.32 1.86 0.35 0.00 0.00 0.00 175.10 176.20 2fvt n THR 48 N 4.71 0.00 -4.16 3.92 -2.24 -1.26 -4.42 114.28 110.83 2fvt n THR 48 Ca 0.21 -0.02 -0.16 0.00 -2.27 0.00 0.00 64.05 61.81 2fvt n THR 48 Cb 0.47 -0.28 -0.15 0.00 -2.10 0.00 0.00 70.33 68.28 2fvt n THR 48 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2fvt s LYS 49 N -2.77 0.44 1.31 -0.78 1.02 -1.26 -4.64 119.74 113.06 2fvt s LYS 49 Ca 0.21 -0.18 -0.21 0.00 0.02 0.00 0.00 55.97 55.81 2fvt s LYS 49 Cb 0.19 -0.43 0.32 0.00 -0.52 0.00 0.00 37.83 37.40 2fvt s LYS 49 CO 0.53 0.10 1.02 -2.14 -0.92 0.00 0.00 175.35 173.94 2fvt s PRO 50 N -0.07 -2.04 0.00 -1.68 0.02 -1.26 -3.92 135.00 126.05 2fvt s PRO 50 Ca 0.01 0.07 0.00 0.00 0.02 0.00 0.00 61.00 61.10 2fvt s PRO 50 Cb -0.03 -1.49 0.00 0.00 0.02 0.00 0.00 34.50 33.00 2fvt s PRO 50 CO -0.00 -4.28 0.00 -1.91 -0.33 0.00 0.00 177.00 170.48 2fvt n GLU 51 N -5.19 0.00 -0.18 5.54 2.13 -1.26 -4.69 120.64 116.99 2fvt n GLU 51 Ca 0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.94 2fvt n GLU 51 Cb 0.59 -0.07 0.00 0.00 0.27 0.00 0.00 31.44 32.23 2fvt n GLU 51 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2fvt n GLN 52 N 0.00 0.94 -3.66 5.31 6.02 -1.25 -4.78 117.38 119.96 2fvt n GLN 52 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.61 2fvt n GLN 52 Cb 0.00 -1.03 -0.12 0.00 1.02 0.00 0.00 30.24 30.11 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 0.08 4.81 0.03 5.09 1.01 -1.26 -4.86 121.20 126.11 2fvt s ILE 53 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.56 2fvt s ILE 53 Cb 0.00 -3.32 -0.00 0.00 0.01 0.00 0.00 42.46 39.15 2fvt s ILE 53 CO 0.00 0.23 0.02 -0.67 0.00 0.00 0.00 174.94 174.52 2fvt n ASP 54 N 5.00 0.20 -0.34 3.58 -0.08 -1.26 -4.98 116.55 118.67 2fvt n ASP 54 Ca -0.15 -1.21 0.03 0.00 -1.51 0.00 0.00 54.79 51.96 2fvt n ASP 54 Cb 0.51 0.15 0.18 0.00 2.34 0.00 0.00 41.12 44.30 2fvt n ASP 54 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 2fvt h ARG 55 N 0.00 1.00 -0.57 -0.67 3.08 -1.97 0.09 114.38 115.34 2fvt h ARG 55 Ca -0.02 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 2fvt h ARG 55 Cb 0.12 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 2fvt h ARG 55 CO 0.04 0.66 0.16 1.88 -1.07 0.00 0.00 179.97 181.64 2fvt h TYR 56 N 1.03 0.88 -0.13 3.04 0.05 -1.98 0.31 116.97 120.17 2fvt h TYR 56 Ca 0.43 -0.07 -0.15 0.00 0.05 0.00 0.00 58.73 58.99 2fvt h TYR 56 Cb 0.28 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 2fvt h TYR 56 CO -0.02 0.72 -0.57 0.77 -1.05 0.00 0.00 178.16 178.02 2fvt h SER 57 N 0.83 0.46 -0.48 3.88 0.02 -1.55 -2.97 113.55 113.74 2fvt h SER 57 Ca 0.19 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2fvt h SER 57 Cb 0.26 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2fvt h SER 57 CO -0.01 0.93 0.00 0.18 -1.14 0.00 0.00 176.83 176.79 2fvt n LEU 58 N -3.93 3.78 -0.36 5.07 4.77 -0.11 -4.37 117.00 121.86 2fvt n LEU 58 Ca -0.03 -1.91 0.01 0.00 -0.03 0.00 0.00 56.01 54.05 2fvt n LEU 58 Cb 0.60 -0.51 0.15 0.00 -2.33 0.00 0.00 43.42 41.33 2fvt n LEU 58 CO 0.46 0.62 1.26 -0.61 -1.33 0.00 0.00 177.39 177.79 2fvt h GLN 59 N 3.05 1.16 0.00 3.23 4.15 -0.79 0.28 115.11 126.19 2fvt h GLN 59 Ca 0.00 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.30 2fvt h GLN 59 Cb 1.20 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 28.62 2fvt h GLN 59 CO 0.20 0.77 -0.25 -0.09 -1.93 0.00 0.00 178.83 177.53 2fvt h ARG 60 N 1.20 0.00 0.17 1.69 2.43 -1.83 -2.64 114.38 115.39 2fvt h ARG 60 Ca 0.40 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.35 2fvt h ARG 60 Cb 0.07 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2fvt h ARG 60 CO -0.14 0.25 -0.99 0.28 -1.51 0.00 0.00 179.97 177.85 2fvt h VAL 61 N 0.00 1.45 -0.60 0.20 2.07 -1.14 -3.27 116.25 114.95 2fvt h VAL 61 Ca -0.00 -2.56 0.06 0.00 0.82 0.00 0.00 66.70 65.01 2fvt h VAL 61 Cb 0.51 3.13 -0.04 0.00 -1.52 0.00 0.00 31.29 33.38 2fvt h VAL 61 CO 0.03 0.74 0.40 -0.26 0.02 0.00 0.00 177.57 178.50 2fvt h PHE 62 N -0.21 0.60 -0.60 1.57 0.04 -0.38 0.96 116.94 118.92 2fvt h PHE 62 Ca -0.17 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.57 2fvt h PHE 62 Cb 1.78 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 39.70 2fvt h PHE 62 CO 0.18 0.33 0.20 0.22 -0.60 0.00 0.00 178.31 178.64 2fvt h ASP 63 N 0.60 0.87 -0.59 2.17 3.58 -1.55 -2.88 116.42 118.62 2fvt h ASP 63 Ca 0.26 -0.20 -0.13 0.00 0.42 0.00 0.00 57.03 57.38 2fvt h ASP 63 Cb 0.24 -0.23 -0.08 0.00 1.72 0.00 0.00 39.33 40.99 2fvt h ASP 63 CO -0.07 0.83 0.14 -3.20 -2.88 0.00 0.00 179.24 174.06 2fvt n ASN 64 N -4.41 4.70 0.21 2.28 5.15 -0.69 -4.55 115.26 117.95 2fvt n ASN 64 Ca 0.03 -3.17 0.15 0.00 -0.60 0.00 0.00 54.58 51.00 2fvt n ASN 64 Cb 0.20 -0.69 0.68 0.00 -0.53 0.00 0.00 39.78 39.44 2fvt n ASN 64 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2fvt h ALA 65 N 2.68 1.00 -0.01 5.20 0.00 -0.61 -0.97 119.26 126.55 2fvt h ALA 65 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2fvt h ALA 65 Cb 2.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2fvt h ALA 65 CO 0.57 0.00 -0.04 0.09 0.00 0.00 0.00 179.25 179.86 2fvt n ASN 66 N -2.64 0.80 -0.02 0.00 3.02 -1.26 -3.27 115.26 111.89 2fvt n ASN 66 Ca 0.00 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 2fvt n ASN 66 Cb 0.20 -0.01 -0.00 0.00 -0.61 0.00 0.00 39.78 39.36 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 -0.48 2.30 -3.34 5.41 0.00 -0.40 -4.95 120.51 119.04 2fvt n ALA 67 Ca 0.19 -0.25 -0.38 0.00 0.00 0.00 0.00 53.44 53.00 2fvt n ALA 67 Cb 0.27 -0.03 -0.12 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.62 3.76 -0.02 0.00 1.01 -1.05 -4.96 121.20 119.33 2fvt s ILE 68 Ca 0.01 -1.33 -0.00 0.00 0.00 0.00 0.00 60.65 59.33 2fvt s ILE 68 Cb 0.01 -3.23 -0.00 0.00 0.01 0.00 0.00 42.46 39.25 2fvt s ILE 68 CO 0.03 -0.31 0.02 -0.78 0.00 0.00 0.00 174.94 173.89 2fvt h ASP 69 N 8.23 -0.00 -3.09 3.58 1.82 -1.84 -3.34 116.42 121.77 2fvt h ASP 69 Ca -0.22 0.00 -0.68 0.00 -0.39 0.00 0.00 57.03 55.75 2fvt h ASP 69 Cb 1.08 0.00 -0.12 0.00 0.68 0.00 0.00 39.33 40.96 2fvt h ASP 69 CO 0.64 0.10 -0.57 -0.89 -1.61 0.00 0.00 179.24 176.91 2fvt s THR 70 N -1.16 4.73 -0.28 2.25 2.01 -0.21 -0.60 115.64 122.38 2fvt s THR 70 Ca -0.00 -0.09 0.01 0.00 0.31 0.00 0.00 61.69 61.92 2fvt s THR 70 Cb 0.00 -3.02 0.08 0.00 0.01 0.00 0.00 72.50 69.57 2fvt s THR 70 CO 0.00 0.61 0.00 -0.22 -0.69 0.00 0.00 174.62 174.32 2fvt s LEU 71 N -0.91 3.05 -0.31 4.42 2.96 0.69 -0.52 118.68 128.06 2fvt s LEU 71 Ca 0.14 -1.52 -0.19 0.00 -0.22 0.00 0.00 54.13 52.34 2fvt s LEU 71 Cb -0.12 -1.22 -0.01 0.00 0.50 0.00 0.00 46.19 45.34 2fvt s LEU 71 CO 0.03 -0.31 0.55 -0.63 -1.32 0.00 0.00 176.35 174.67 2fvt s ILE 72 N 1.32 5.01 -0.24 6.68 1.01 0.11 0.28 121.20 135.37 2fvt s ILE 72 Ca 0.02 0.67 -0.07 0.00 0.00 0.00 0.00 60.65 61.26 2fvt s ILE 72 Cb -0.19 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 2fvt s ILE 72 CO -0.11 -0.10 0.06 -0.69 0.00 0.00 0.00 174.94 174.10 2fvt s VAL 73 N 2.44 4.28 -0.44 2.92 1.01 0.59 -0.61 120.40 130.58 2fvt s VAL 73 Ca 0.21 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.84 2fvt s VAL 73 Cb -0.15 -2.99 0.03 0.00 0.00 0.00 0.00 36.38 33.27 2fvt s VAL 73 CO 0.12 0.36 0.45 -0.83 0.00 0.00 0.00 175.10 175.20 2fvt s GLY 74 N 1.47 1.90 -0.03 4.51 0.00 0.94 -0.58 107.32 115.53 2fvt s GLY 74 Ca 0.06 -1.64 0.06 0.00 0.00 0.00 0.00 44.72 43.19 2fvt s GLY 74 CO 0.03 1.18 1.06 -1.30 0.00 0.00 0.00 173.10 174.07 2fvt n THR 75 N 5.42 0.57 0.00 0.90 -2.24 -0.81 -1.38 114.28 116.73 2fvt n THR 75 Ca -0.08 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 2fvt n THR 75 Cb 0.47 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 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 0.58 1.52 0.05 3.38 0.00 -1.25 -4.23 105.19 105.25 2fvt n GLY 76 Ca 0.08 -0.43 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 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 5.95 0.33 -2.20 4.61 0.00 -1.26 -3.13 120.51 124.81 2fvt n ALA 77 Ca 0.00 -0.35 -0.27 0.00 0.00 0.00 0.00 53.44 52.83 2fvt n ALA 77 Cb 0.00 0.01 0.01 0.00 0.00 0.00 0.00 19.45 19.47 2fvt n ALA 77 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2fvt s ASP 78 N -5.04 5.96 -0.26 0.00 -4.77 -1.26 -4.96 116.67 106.33 2fvt s ASP 78 Ca -0.11 0.78 -0.12 0.00 -3.30 0.00 0.00 52.55 49.81 2fvt s ASP 78 Cb 0.01 -1.97 -0.05 0.00 -1.09 0.00 0.00 42.92 39.83 2fvt s ASP 78 CO 0.16 -0.78 0.21 0.54 0.70 0.00 0.00 175.17 176.00 2fvt s VAL 79 N -2.82 5.30 -0.23 2.11 0.11 -1.26 -4.64 120.40 118.97 2fvt s VAL 79 Ca 0.50 0.24 -0.16 0.00 -2.93 0.00 0.00 61.98 59.64 2fvt s VAL 79 Cb -0.10 -3.55 -0.04 0.00 -1.53 0.00 0.00 36.38 31.16 2fvt s VAL 79 CO 0.44 0.26 0.40 0.86 -3.33 0.00 0.00 175.10 173.73 2fvt s TRP 80 N 1.59 3.31 -0.53 1.54 -0.00 -1.26 -5.04 118.94 118.56 2fvt s TRP 80 Ca 0.09 0.53 -0.23 0.00 -0.00 0.00 0.00 56.10 56.49 2fvt s TRP 80 Cb -0.15 -2.56 0.04 0.00 -0.00 0.00 0.00 33.47 30.80 2fvt s TRP 80 CO 0.09 -0.12 0.88 0.42 -0.00 0.00 0.00 176.95 178.22 2fvt s ILE 81 N 1.69 4.49 0.09 5.86 1.01 -1.26 -4.94 121.20 128.15 2fvt s ILE 81 Ca 0.17 0.22 -0.33 0.00 0.00 0.00 0.00 60.65 60.72 2fvt s ILE 81 Cb -0.15 -4.47 -0.12 0.00 0.01 0.00 0.00 42.46 37.73 2fvt s ILE 81 CO 0.09 -1.00 1.75 0.00 0.00 0.00 0.00 174.94 175.77 2fvt n ALA 82 N 7.17 1.64 -1.68 9.38 0.00 -1.26 -4.92 120.51 130.85 2fvt n ALA 82 Ca 0.01 0.36 -0.39 0.00 0.00 0.00 0.00 53.44 53.42 2fvt n ALA 82 Cb 0.47 -2.48 0.04 0.00 0.00 0.00 0.00 19.45 17.48 2fvt n ALA 82 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2fvt n PRO 83 N 4.99 1.37 -0.24 0.00 -0.02 -1.26 -4.76 135.00 135.08 2fvt n PRO 83 Ca 0.19 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2fvt n PRO 83 Cb 0.32 -2.37 0.12 0.00 -0.02 0.00 0.00 33.50 31.56 2fvt n PRO 83 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fvt h ARG 84 N 1.12 0.62 -0.02 -0.52 3.08 -1.98 0.60 114.38 117.28 2fvt h ARG 84 Ca -0.49 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 59.54 2fvt h ARG 84 Cb 1.33 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 2fvt h ARG 84 CO 0.55 0.41 -0.10 0.37 -1.07 0.00 0.00 179.97 180.13 2fvt h GLN 85 N 0.64 -0.16 -0.64 0.04 4.15 -1.99 0.29 115.11 117.43 2fvt h GLN 85 Ca 0.33 0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.68 2fvt h GLN 85 Cb 0.29 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 2fvt h GLN 85 CO -0.23 -0.11 0.07 1.25 -1.93 0.00 0.00 178.83 177.88 2fvt h LEU 86 N -0.17 1.05 -0.61 -2.39 5.85 -1.82 -1.76 115.31 115.46 2fvt h LEU 86 Ca 0.05 -0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.41 2fvt h LEU 86 Cb 0.23 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2fvt h LEU 86 CO -0.12 1.06 0.05 -0.09 -0.34 0.00 0.00 178.44 179.00 2fvt h ARG 87 N 1.00 1.04 -0.47 1.25 2.43 -0.47 -2.13 114.38 117.03 2fvt h ARG 87 Ca 0.19 -0.31 -0.05 0.00 -0.81 0.00 0.00 59.98 59.00 2fvt h ARG 87 Cb 0.48 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2fvt h ARG 87 CO 0.02 1.00 0.08 1.49 -1.51 0.00 0.00 179.97 181.05 2fvt h GLU 88 N 0.94 0.77 -0.59 0.20 4.81 -0.27 -1.87 114.58 118.57 2fvt h GLU 88 Ca 0.18 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2fvt h GLU 88 Cb 0.49 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 2fvt h GLU 88 CO 0.02 0.78 0.37 0.00 -0.73 0.00 0.00 179.01 179.45 2fvt h ALA 89 N 0.96 1.53 -0.06 2.92 0.00 -1.10 0.13 119.26 123.64 2fvt h ALA 89 Ca 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2fvt h ALA 89 Cb 0.37 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2fvt h ALA 89 CO 0.01 0.42 -0.04 -0.07 0.00 0.00 0.00 179.25 179.57 2fvt h LEU 90 N 0.81 0.14 -1.11 0.00 3.38 -1.11 -3.06 115.31 114.36 2fvt h LEU 90 Ca 0.21 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2fvt h LEU 90 Cb -0.05 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2fvt h LEU 90 CO -0.04 0.55 0.00 0.03 0.09 0.00 0.00 178.44 179.07 2fvt h ARG 91 N -0.27 0.00 0.00 1.13 3.08 -1.01 -0.87 114.38 116.45 2fvt h ARG 91 Ca 0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 2fvt h ARG 91 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 2fvt h ARG 91 CO 0.01 0.00 -0.13 0.78 -1.07 0.00 0.00 179.97 179.56 2fvt h GLY 92 N 2.30 0.00 0.00 0.04 0.00 -0.65 -3.26 103.07 101.50 2fvt h GLY 92 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2fvt h GLY 92 CO 0.00 0.00 -1.11 -0.62 0.00 0.00 0.00 176.54 174.81 2fvt n VAL 93 N -3.83 1.48 0.00 4.60 0.31 -0.60 -5.02 118.33 115.26 2fvt n VAL 93 Ca -0.02 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2fvt n VAL 93 Cb 0.23 -2.23 0.00 0.00 -0.91 0.00 0.00 33.84 30.93 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 -4.48 0.00 -4.61 4.52 4.05 -0.45 -4.97 115.26 109.32 2fvt n ASN 94 Ca -0.21 0.00 -0.43 0.00 0.45 0.00 0.00 54.58 54.39 2fvt n ASN 94 Cb 0.51 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.50 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 0.00 3.24 -0.70 3.44 1.01 -0.49 -4.77 120.40 122.14 2fvt s VAL 95 Ca 0.00 0.26 -0.18 0.00 0.00 0.00 0.00 61.98 62.05 2fvt s VAL 95 Cb 0.00 -3.30 0.12 0.00 0.00 0.00 0.00 36.38 33.21 2fvt s VAL 95 CO 0.00 -0.16 0.82 -0.69 0.00 0.00 0.00 175.10 175.06 2fvt s VAL 96 N 7.04 4.88 0.01 2.92 1.01 0.23 -2.72 120.40 133.76 2fvt s VAL 96 Ca 0.89 -1.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 2fvt s VAL 96 Cb -0.30 -4.56 -0.03 0.00 0.00 0.00 0.00 36.38 31.49 2fvt s VAL 96 CO 0.35 -1.22 0.97 -0.22 0.00 0.00 0.00 175.10 174.98 2fvt s LEU 97 N 2.43 4.38 -0.09 3.92 0.20 -1.26 -0.22 118.68 128.04 2fvt s LEU 97 Ca 0.17 1.66 0.02 0.00 0.69 0.00 0.00 54.13 56.67 2fvt s LEU 97 Cb -0.18 -3.55 0.01 0.00 -0.43 0.00 0.00 46.19 42.04 2fvt s LEU 97 CO 0.01 -0.23 -0.14 -0.62 -0.29 0.00 0.00 176.35 175.09 2fvt s ASP 98 N 0.88 2.13 -0.23 3.68 2.15 0.14 -4.92 116.67 120.50 2fvt s ASP 98 Ca 0.51 -0.36 -0.13 0.00 0.43 0.00 0.00 52.55 53.00 2fvt s ASP 98 Cb -0.21 -0.96 -0.04 0.00 -0.30 0.00 0.00 42.92 41.41 2fvt s ASP 98 CO 0.28 0.02 0.28 -0.89 -0.17 0.00 0.00 175.17 174.69 2fvt s THR 99 N 0.85 5.27 0.18 1.71 2.01 -1.26 -0.30 115.64 124.10 2fvt s THR 99 Ca -0.10 0.44 -0.00 0.00 0.31 0.00 0.00 61.69 62.33 2fvt s THR 99 Cb -0.15 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 2fvt s THR 99 CO 0.01 0.28 0.09 -0.04 -0.69 0.00 0.00 174.62 174.27 2fvt s MET 100 N 1.29 1.11 0.48 4.92 -1.94 0.26 -4.95 119.30 120.48 2fvt s MET 100 Ca 0.13 -1.57 -0.09 0.00 -1.71 0.00 0.00 55.69 52.45 2fvt s MET 100 Cb -0.14 0.15 -0.05 0.00 2.01 0.00 0.00 34.83 36.79 2fvt s MET 100 CO 0.07 -0.31 0.84 -0.65 -0.01 0.00 0.00 175.02 174.96 2fvt s GLN 101 N -4.08 3.67 0.24 2.03 1.11 -1.26 -1.93 119.66 119.44 2fvt s GLN 101 Ca 0.32 0.45 -0.05 0.00 0.01 0.00 0.00 55.36 56.09 2fvt s GLN 101 Cb 0.07 -2.31 0.43 0.00 -1.01 0.00 0.00 33.01 30.20 2fvt s GLN 101 CO 0.08 -0.22 1.71 1.15 0.01 0.00 0.00 175.29 178.02 2fvt h THR 102 N 0.48 0.60 0.24 -0.19 2.02 -1.85 0.44 112.91 114.66 2fvt h THR 102 Ca -0.46 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 2fvt h THR 102 Cb 1.19 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 2fvt h THR 102 CO 0.62 0.06 -0.12 1.23 0.37 0.00 0.00 175.52 177.69 2fvt h GLY 103 N 0.35 -0.34 1.55 2.16 0.00 -1.94 -1.59 103.07 103.26 2fvt h GLY 103 Ca 0.40 0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.91 2fvt h GLY 103 CO -0.44 -0.13 0.17 -2.55 0.00 0.00 0.00 176.54 173.60 2fvt h PRO 104 N -0.32 0.00 0.03 4.80 0.11 -1.94 -1.79 132.00 132.89 2fvt h PRO 104 Ca -0.03 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 2fvt h PRO 104 Cb 0.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.36 2fvt h PRO 104 CO 0.05 0.00 -0.01 0.00 -0.21 0.00 0.00 178.00 177.83 2fvt h ALA 105 N 1.84 -0.04 -0.63 -0.75 0.00 -0.81 -1.13 119.26 117.74 2fvt h ALA 105 Ca 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2fvt h ALA 105 Cb 0.43 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2fvt h ALA 105 CO -0.00 -0.38 0.30 0.82 0.00 0.00 0.00 179.25 179.99 2fvt h ILE 106 N -0.33 1.20 0.86 0.00 2.04 -0.58 0.15 117.51 120.85 2fvt h ILE 106 Ca -0.00 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 2fvt h ILE 106 Cb 0.30 0.40 0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2fvt h ILE 106 CO 0.01 0.24 -0.41 -0.09 0.00 0.00 0.00 178.15 177.89 2fvt h ARG 107 N 0.88 -1.11 -0.72 2.37 2.43 -1.24 -1.38 114.38 115.62 2fvt h ARG 107 Ca 0.22 0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2fvt h ARG 107 Cb 0.09 0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 2fvt h ARG 107 CO -0.03 -0.74 0.43 1.15 -1.51 0.00 0.00 179.97 179.27 2fvt h THR 108 N -1.15 1.20 0.22 0.20 2.02 -1.02 -2.67 112.91 111.70 2fvt h THR 108 Ca -0.12 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 66.63 2fvt h THR 108 Cb 0.88 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 2fvt h THR 108 CO 0.19 0.21 -0.32 0.22 0.37 0.00 0.00 175.52 176.19 2fvt h TYR 109 N 0.98 -0.86 -0.93 3.16 3.20 -0.54 -0.99 116.97 120.99 2fvt h TYR 109 Ca 0.26 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.24 2fvt h TYR 109 Cb -0.04 0.35 -0.07 0.00 1.54 0.00 0.00 36.73 38.51 2fvt h TYR 109 CO 0.00 -0.44 0.60 -0.91 -1.64 0.00 0.00 178.16 175.77 2fvt h ASN 110 N -0.60 0.86 0.10 -2.11 2.35 -0.93 0.16 115.58 115.39 2fvt h ASN 110 Ca 0.01 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2fvt h ASN 110 Cb 0.59 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.81 2fvt h ASN 110 CO -0.12 0.50 -0.05 0.40 -1.65 0.00 0.00 177.43 176.51 2fvt h ILE 111 N 0.94 1.05 -0.04 2.81 2.04 -1.14 -2.22 117.51 120.96 2fvt h ILE 111 Ca 0.43 -0.55 -0.15 0.00 1.00 0.00 0.00 64.86 65.60 2fvt h ILE 111 Cb 0.39 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2fvt h ILE 111 CO -0.19 0.13 -0.64 0.24 0.00 0.00 0.00 178.15 177.69 2fvt h MET 112 N -0.38 0.16 0.00 2.37 2.86 -0.63 -2.62 114.93 116.68 2fvt h MET 112 Ca -0.01 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 2fvt h MET 112 Cb 0.32 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2fvt h MET 112 CO 0.02 0.75 -0.23 0.82 1.06 0.00 0.00 176.91 179.33 2fvt h ILE 113 N 0.11 0.54 0.00 -1.22 1.08 -0.74 -2.71 117.51 114.58 2fvt h ILE 113 Ca -0.01 -1.15 0.00 0.00 -0.39 0.00 0.00 64.86 63.31 2fvt h ILE 113 Cb 1.15 1.79 0.00 0.00 -3.07 0.00 0.00 36.82 36.70 2fvt h ILE 113 CO 0.09 0.22 0.00 0.61 -0.69 0.00 0.00 178.15 178.39 2fvt n GLY 114 N 0.22 -0.87 0.00 5.37 0.00 -0.84 -4.46 105.19 104.61 2fvt n GLY 114 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2fvt n GLY 114 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2fvt n GLU 115 N -1.45 0.00 -0.06 1.61 1.02 -1.13 -5.02 120.64 115.60 2fvt n GLU 115 Ca 0.04 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.15 2fvt n GLU 115 Cb 0.13 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.41 2fvt n GLU 115 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2fvt n ARG 116 N 0.00 0.98 -2.78 3.49 3.00 -1.22 -5.05 116.66 115.08 2fvt n ARG 116 Ca 0.00 -0.06 -0.05 0.00 -0.00 0.00 0.00 57.85 57.74 2fvt n ARG 116 Cb 0.00 -1.44 0.01 0.00 0.00 0.00 0.00 32.46 31.02 2fvt n ARG 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2fvt n ARG 117 N -2.47 -1.81 -0.61 -0.14 1.74 -1.03 -4.96 116.66 107.38 2fvt n ARG 117 Ca -0.20 1.77 0.02 0.00 -0.77 0.00 0.00 57.85 58.67 2fvt n ARG 117 Cb 0.87 -5.29 0.23 0.00 -1.02 0.00 0.00 32.46 27.24 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 -0.80 2.38 -4.07 5.56 1.74 -1.26 -4.95 116.66 115.26 2fvt n ARG 118 Ca 0.07 -2.98 -0.17 0.00 -0.77 0.00 0.00 57.85 54.00 2fvt n ARG 118 Cb 0.44 -1.83 -0.15 0.00 -1.02 0.00 0.00 32.46 29.90 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 -3.03 0.33 -0.05 1.55 0.11 -1.26 -1.04 120.40 117.02 2fvt s VAL 119 Ca 0.43 -0.09 -0.02 0.00 -2.93 0.00 0.00 61.98 59.37 2fvt s VAL 119 Cb 0.37 -0.34 -0.04 0.00 -1.53 0.00 0.00 36.38 34.85 2fvt s VAL 119 CO 0.05 0.14 0.07 0.00 -3.33 0.00 0.00 175.10 172.03 2fvt s ALA 120 N 0.42 3.57 -0.16 1.54 0.00 0.32 -4.71 121.76 122.73 2fvt s ALA 120 Ca -0.04 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.11 2fvt s ALA 120 Cb -0.08 -1.64 -0.00 0.00 0.00 0.00 0.00 23.12 21.40 2fvt s ALA 120 CO -0.01 0.65 -0.14 0.00 0.00 0.00 0.00 175.76 176.26 2fvt s ALA 121 N -1.08 2.51 -0.53 0.00 0.00 -0.39 -0.71 121.76 121.56 2fvt s ALA 121 Ca 0.19 -1.08 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 2fvt s ALA 121 Cb -0.12 -1.27 0.14 0.00 0.00 0.00 0.00 23.12 21.87 2fvt s ALA 121 CO 0.09 -0.11 0.38 0.00 0.00 0.00 0.00 175.76 176.12 2fvt s ALA 122 N 0.93 3.46 -0.34 0.00 0.00 0.22 -0.03 121.76 126.00 2fvt s ALA 122 Ca -0.03 -2.77 -0.12 0.00 0.00 0.00 0.00 51.96 49.04 2fvt s ALA 122 Cb -0.15 -2.78 -0.01 0.00 0.00 0.00 0.00 23.12 20.19 2fvt s ALA 122 CO -0.02 -1.97 0.21 -0.51 0.00 0.00 0.00 175.76 173.48 2fvt s LEU 123 N 0.89 4.46 -0.01 0.00 1.43 -0.83 -0.04 118.68 124.58 2fvt s LEU 123 Ca 0.10 -0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 52.61 2fvt s LEU 123 Cb -0.23 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 2fvt s LEU 123 CO -0.03 -0.26 0.18 -0.63 0.23 0.00 0.00 176.35 175.85 2fvt s ILE 124 N 1.66 5.43 0.84 -0.59 1.01 -0.48 -1.63 121.20 127.44 2fvt s ILE 124 Ca 0.05 -0.17 -0.12 0.00 0.00 0.00 0.00 60.65 60.41 2fvt s ILE 124 Cb -0.18 -3.54 0.10 0.00 0.01 0.00 0.00 42.46 38.85 2fvt s ILE 124 CO 0.09 0.32 1.10 0.00 0.00 0.00 0.00 174.94 176.44 2fvt s ALA 125 N -1.33 1.97 0.22 9.38 0.00 0.23 -3.79 121.76 128.44 2fvt s ALA 125 Ca 0.28 -0.18 -0.19 0.00 0.00 0.00 0.00 51.96 51.86 2fvt s ALA 125 Cb -0.13 -3.13 -0.08 0.00 0.00 0.00 0.00 23.12 19.78 2fvt s ALA 125 CO 0.19 -1.99 0.71 0.14 0.00 0.00 0.00 175.76 174.82 2fvt s VAL 126 N -3.09 4.58 -0.31 0.00 -7.23 -1.26 -4.57 120.40 108.52 2fvt s VAL 126 Ca 0.62 1.26 -0.28 0.00 -1.81 0.00 0.00 61.98 61.77 2fvt s VAL 126 Cb -0.16 -3.85 -0.03 0.00 0.56 0.00 0.00 36.38 32.90 2fvt s VAL 126 CO 0.55 0.21 2.00 -2.84 -0.31 0.00 0.00 175.10 174.71 2fvt s PRO 127 N -1.98 3.13 -0.10 4.82 0.02 -1.26 -4.95 135.00 134.67 2fvt s PRO 127 Ca 0.43 1.61 -0.24 0.00 0.02 0.00 0.00 61.00 62.82 2fvt s PRO 127 Cb -0.17 -4.30 -0.03 0.00 0.02 0.00 0.00 34.50 30.03 2fvt s PRO 127 CO 0.21 -2.10 0.74 -0.51 -0.33 0.00 0.00 177.00 175.01 2fvt s LEU 128 N 7.91 4.26 0.45 -5.54 1.43 -1.26 -5.06 118.68 120.88 2fvt s LEU 128 Ca 0.88 1.17 0.04 0.00 -1.03 0.00 0.00 54.13 55.19 2fvt s LEU 128 Cb -0.25 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 2fvt s LEU 128 CO 0.33 -0.21 0.01 -1.61 0.23 0.00 0.00 176.35 175.10 2fvt s GLU 129 N 1.28 2.06 -0.21 1.70 2.02 -1.26 -5.14 118.70 119.16 2fvt s GLU 129 Ca 0.37 -2.25 -0.04 0.00 0.02 0.00 0.00 54.97 53.07 2fvt s GLU 129 Cb -0.17 -1.49 0.07 0.00 0.10 0.00 0.00 34.13 32.63 2fvt s GLU 129 CO 0.16 -0.23 0.09 -3.38 0.02 0.00 0.00 175.26 171.93 2fvt s HIS 130 N -2.85 0.36 -0.45 1.61 -3.43 -1.26 -5.04 115.29 104.23 2fvt s HIS 130 Ca 0.20 -0.55 0.02 0.00 -0.80 0.00 0.00 55.06 53.93 2fvt s HIS 130 Cb 0.05 -0.81 0.20 0.00 -1.43 0.00 0.00 32.58 30.59 2fvt s HIS 130 CO 0.10 -0.61 0.87 -3.38 -2.00 0.00 0.00 174.74 169.72 2fvt s HIS 131 N 2.08 -1.13 -0.44 0.38 -3.43 -1.26 -5.04 115.29 106.45 2fvt s HIS 131 Ca 0.04 -0.38 0.10 0.00 -0.80 0.00 0.00 55.06 54.01 2fvt s HIS 131 Cb -0.16 0.22 0.38 0.00 -1.43 0.00 0.00 32.58 31.59 2fvt s HIS 131 CO -0.16 -0.89 0.90 0.72 -2.00 0.00 0.00 174.74 173.31 2fvt n HIS 132 N 2.84 2.07 -1.55 0.38 8.25 -1.26 -5.07 115.22 120.88 2fvt n HIS 132 Ca 0.15 -3.56 0.00 0.00 -0.26 0.00 0.00 57.72 54.05 2fvt n HIS 132 Cb 0.59 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.33 2fvt n HIS 132 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2fvt n HIS 133 N -0.07 0.00 0.00 4.41 8.25 -1.26 -5.05 115.22 121.50 2fvt n HIS 133 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 2fvt n HIS 133 Cb 0.61 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.72 2fvt n HIS 133 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2fvt n HIS 134 N 0.00 0.00 -0.80 4.41 -0.00 -1.26 -5.33 115.22 112.24 2fvt n HIS 134 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2fvt n HIS 134 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2fvt n HIS 134 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92