#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 0.53 -0.16 -5.12 0.00 -1.26 -5.04 121.76 110.72 2fvt s ALA 2 Ca 0.00 -0.79 0.18 0.00 0.00 0.00 0.00 51.96 51.35 2fvt s ALA 2 Cb 0.00 0.07 -0.26 0.00 0.00 0.00 0.00 23.12 22.93 2fvt s ALA 2 CO 0.00 -0.07 0.16 1.04 0.00 0.00 0.00 175.76 176.89 2fvt n GLN 3 N 1.34 0.74 -3.28 0.00 1.13 -1.26 -4.84 117.38 111.21 2fvt n GLN 3 Ca -0.22 -0.05 -0.07 0.00 -1.94 0.00 0.00 57.00 54.72 2fvt n GLN 3 Cb 0.55 -1.51 -0.04 0.00 0.11 0.00 0.00 30.24 29.35 2fvt n GLN 3 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2fvt s ARG 4 N -2.70 0.63 -0.30 -1.09 1.70 -1.26 -5.11 118.95 110.83 2fvt s ARG 4 Ca -0.09 -0.30 -0.01 0.00 -0.47 0.00 0.00 55.73 54.86 2fvt s ARG 4 Cb 0.08 -0.27 0.19 0.00 -0.57 0.00 0.00 34.95 34.37 2fvt s ARG 4 CO 0.83 -1.14 0.62 0.45 -1.08 0.00 0.00 175.30 174.98 2fvt s SER 5 N 1.96 -1.37 -0.31 -2.89 0.15 -1.26 -5.12 113.70 104.86 2fvt s SER 5 Ca 0.14 0.78 -0.02 0.00 0.70 0.00 0.00 55.95 57.54 2fvt s SER 5 Cb -0.10 2.12 0.11 0.00 -1.71 0.00 0.00 66.02 66.43 2fvt s SER 5 CO -0.13 -0.26 0.15 -0.70 1.20 0.00 0.00 173.24 173.51 2fvt s GLU 6 N 2.86 0.35 -0.28 5.44 2.12 -1.26 -4.97 118.70 122.97 2fvt s GLU 6 Ca 0.19 -0.83 -0.01 0.00 0.36 0.00 0.00 54.97 54.67 2fvt s GLU 6 Cb -0.14 -1.27 0.00 0.00 0.26 0.00 0.00 34.13 32.98 2fvt s GLU 6 CO -0.21 -1.08 0.05 -0.89 -0.54 0.00 0.00 175.26 172.59 2fvt n ILE 7 N 4.82-10.60 -0.10 -3.70 2.08 -1.26 -4.91 119.36 105.70 2fvt n ILE 7 Ca 0.00 1.52 0.01 0.00 0.56 0.00 0.00 62.75 64.84 2fvt n ILE 7 Cb 0.40 -6.57 0.31 0.00 -0.75 0.00 0.00 39.64 33.03 2fvt n ILE 7 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 2fvt h PRO 8 N 2.54 0.75 -1.84 0.38 0.13 -2.02 -3.44 132.00 128.49 2fvt h PRO 8 Ca 0.00 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 2fvt h PRO 8 Cb 0.09 -0.15 -0.21 0.00 0.13 0.00 0.00 31.00 30.86 2fvt h PRO 8 CO 0.09 0.55 0.31 -3.38 -0.23 0.00 0.00 178.00 175.35 2fvt s HIS 9 N -5.50 -0.56 -0.28 1.56 -3.43 -1.26 -5.12 115.29 100.69 2fvt s HIS 9 Ca -0.09 1.01 -0.29 0.00 -0.80 0.00 0.00 55.06 54.88 2fvt s HIS 9 Cb 0.17 0.41 -0.01 0.00 -1.43 0.00 0.00 32.58 31.73 2fvt s HIS 9 CO 0.76 -0.50 1.39 -0.06 -2.00 0.00 0.00 174.74 174.34 2fvt s PHE 10 N -1.03 2.51 -0.97 0.38 0.08 -1.26 -4.95 117.98 112.74 2fvt s PHE 10 Ca -0.07 0.77 -0.19 0.00 0.12 0.00 0.00 56.93 57.56 2fvt s PHE 10 Cb -0.01 -3.93 0.12 0.00 -0.57 0.00 0.00 43.02 38.63 2fvt s PHE 10 CO 0.06 -2.08 1.21 -1.25 -0.10 0.00 0.00 175.22 173.07 2fvt s PRO 11 N 4.31 3.63 -0.08 0.24 0.04 -1.25 -2.87 135.00 139.02 2fvt s PRO 11 Ca 0.61 -1.69 -0.06 0.00 0.04 0.00 0.00 61.00 59.90 2fvt s PRO 11 Cb -0.19 -5.02 0.02 0.00 0.04 0.00 0.00 34.50 29.35 2fvt s PRO 11 CO 0.25 -1.86 0.12 -2.13 0.04 0.00 0.00 177.00 173.42 2fvt n ARG 12 N 6.97 -4.07 -2.96 4.56 0.63 0.76 -4.91 116.66 117.63 2fvt n ARG 12 Ca 0.27 3.09 -0.43 0.00 -0.92 0.00 0.00 57.85 59.86 2fvt n ARG 12 Cb 0.49 -4.23 -0.05 0.00 0.45 0.00 0.00 32.46 29.12 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 -0.53 4.55 -0.15 5.15 2.01 -1.26 -4.89 115.64 120.52 2fvt s THR 13 Ca -0.14 -0.27 -0.17 0.00 0.31 0.00 0.00 61.69 61.42 2fvt s THR 13 Cb 0.01 -4.51 -0.24 0.00 0.01 0.00 0.00 72.50 67.77 2fvt s THR 13 CO 0.37 -1.13 0.41 0.00 -0.69 0.00 0.00 174.62 173.57 2fvt h ALA 14 N 9.29 0.25 -2.07 7.40 0.00 -1.96 -3.43 119.26 128.73 2fvt h ALA 14 Ca -0.28 -1.16 -0.71 0.00 0.00 0.00 0.00 54.91 52.76 2fvt h ALA 14 Cb 1.08 0.59 -0.20 0.00 0.00 0.00 0.00 17.79 19.26 2fvt h ALA 14 CO 1.08 0.83 -0.04 0.00 0.00 0.00 0.00 179.25 181.12 2fvt s ALA 15 N -2.44 3.47 -0.10 0.00 0.00 -1.26 -4.45 121.76 116.98 2fvt s ALA 15 Ca -0.24 -2.11 -0.07 0.00 0.00 0.00 0.00 51.96 49.55 2fvt s ALA 15 Cb 0.05 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 2fvt s ALA 15 CO 0.70 -2.08 0.15 0.42 0.00 0.00 0.00 175.76 174.96 2fvt s ILE 16 N 2.30 5.48 0.00 0.00 1.01 -1.26 -4.93 121.20 123.80 2fvt s ILE 16 Ca 0.10 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.92 2fvt s ILE 16 Cb -0.24 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 38.80 2fvt s ILE 16 CO 0.08 0.57 0.00 0.47 0.00 0.00 0.00 174.94 176.06 2fvt n ASP 17 N 1.82 0.00 -4.55 3.58 8.00 -1.26 -5.04 116.55 119.09 2fvt n ASP 17 Ca -0.18 -0.75 -0.39 0.00 0.71 0.00 0.00 54.79 54.18 2fvt n ASP 17 Cb 0.55 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.68 2fvt n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fvt n ALA 18 N -3.00 -0.43 -2.34 2.24 0.00 -1.26 -4.77 120.51 110.96 2fvt n ALA 18 Ca 0.00 0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.37 2fvt n ALA 18 Cb 0.00 -1.97 -0.10 0.00 0.00 0.00 0.00 19.45 17.37 2fvt n ALA 18 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2fvt s TYR 19 N -1.52 1.07 0.00 0.00 1.13 -1.26 -2.68 117.35 114.08 2fvt s TYR 19 Ca 0.69 -0.75 0.00 0.00 -1.41 0.00 0.00 57.07 55.60 2fvt s TYR 19 Cb -0.48 -0.58 0.00 0.00 -1.10 0.00 0.00 41.96 39.81 2fvt s TYR 19 CO 0.53 -0.02 0.00 0.41 -2.51 0.00 0.00 175.55 173.96 2fvt n GLY 20 N 0.20 1.80 3.58 5.49 0.00 0.91 -4.97 105.19 112.20 2fvt n GLY 20 Ca -0.13 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 2fvt n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fvt s LYS 21 N 0.00 3.27 0.00 1.61 -0.14 -1.26 -1.67 119.74 121.55 2fvt s LYS 21 Ca 0.00 0.77 0.00 0.00 -1.36 0.00 0.00 55.97 55.38 2fvt s LYS 21 Cb 0.00 -4.16 0.00 0.00 -1.68 0.00 0.00 37.83 31.99 2fvt s LYS 21 CO 0.00 -1.96 0.00 0.41 -0.76 0.00 0.00 175.35 173.04 2fvt n GLY 22 N 5.32 0.76 0.08 -3.33 0.00 -1.26 -4.86 105.19 101.90 2fvt n GLY 22 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.97 3.65 -0.02 0.00 -0.67 -3.90 105.19 103.22 2fvt n GLY 23 Ca 0.00 -1.30 -0.37 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 3.31 -0.29 1.61 0.40 -0.92 -0.06 117.98 122.02 2fvt s PHE 24 Ca 0.00 0.28 0.02 0.00 -0.60 0.00 0.00 56.93 56.63 2fvt s PHE 24 Cb 0.00 -2.33 0.09 0.00 0.51 0.00 0.00 43.02 41.29 2fvt s PHE 24 CO 0.00 0.02 0.02 -0.47 0.70 0.00 0.00 175.22 175.49 2fvt s TYR 25 N 1.20 2.75 0.31 0.36 6.14 -1.09 -1.46 117.35 125.56 2fvt s TYR 25 Ca 0.09 -2.23 0.03 0.00 0.64 0.00 0.00 57.07 55.60 2fvt s TYR 25 Cb -0.14 -2.13 -0.02 0.00 0.42 0.00 0.00 41.96 40.09 2fvt s TYR 25 CO 0.06 -0.87 0.31 -0.59 0.64 0.00 0.00 175.55 175.10 2fvt s PHE 26 N 1.26 1.43 -0.77 4.97 -0.12 -1.26 -3.98 117.98 119.51 2fvt s PHE 26 Ca 0.04 -1.49 -0.26 0.00 -0.05 0.00 0.00 56.93 55.18 2fvt s PHE 26 Cb -0.19 -0.49 0.01 0.00 -0.63 0.00 0.00 43.02 41.73 2fvt s PHE 26 CO -0.12 -0.91 1.54 0.00 -0.05 0.00 0.00 175.22 175.68 2fvt s ALA 27 N -3.47 2.46 0.00 1.99 0.00 -1.26 -3.83 121.76 117.65 2fvt s ALA 27 Ca 0.37 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2fvt s ALA 27 Cb 0.02 -4.35 0.00 0.00 0.00 0.00 0.00 23.12 18.79 2fvt s ALA 27 CO 0.23 -3.68 0.00 0.41 0.00 0.00 0.00 175.76 172.71 2fvt n GLY 28 N 5.89 -0.08 2.92 0.00 0.00 -1.26 -5.09 105.19 107.57 2fvt n GLY 28 Ca 0.17 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.23 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 0.09 -0.17 1.61 -1.94 -1.25 -5.14 119.30 112.50 2fvt s MET 29 Ca 0.00 -0.07 -0.02 0.00 -1.71 0.00 0.00 55.69 53.89 2fvt s MET 29 Cb 0.00 0.04 0.05 0.00 2.01 0.00 0.00 34.83 36.92 2fvt s MET 29 CO 0.00 -0.01 0.00 -1.12 -0.01 0.00 0.00 175.02 173.88 2fvt s SER 30 N -0.25 2.73 0.00 3.03 0.01 -1.26 -3.99 113.70 113.97 2fvt s SER 30 Ca -0.03 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.55 2fvt s SER 30 Cb -0.02 -0.69 0.00 0.00 0.21 0.00 0.00 66.02 65.52 2fvt s SER 30 CO -0.00 -0.25 0.00 1.57 0.41 0.00 0.00 173.24 174.97 2fvt n HIS 31 N 4.99 0.00 -0.68 2.43 -0.00 -0.53 -4.95 115.22 116.48 2fvt n HIS 31 Ca -0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.08 2fvt n HIS 31 Cb 0.48 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.35 2fvt n HIS 31 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2fvt n GLN 32 N -0.25 -1.78 -0.04 1.57 6.02 -1.25 -3.46 117.38 118.19 2fvt n GLN 32 Ca 0.00 1.38 0.12 0.00 -0.01 0.00 0.00 57.00 58.50 2fvt n GLN 32 Cb 0.00 -1.71 0.35 0.00 1.02 0.00 0.00 30.24 29.89 2fvt n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2fvt n GLY 33 N -1.91 0.53 3.43 1.08 0.00 -1.26 -2.17 105.19 104.89 2fvt n GLY 33 Ca 0.00 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.84 -0.51 0.00 1.61 0.01 -1.21 0.26 113.70 112.03 2fvt s SER 34 Ca 0.34 0.62 0.00 0.00 1.31 0.00 0.00 55.95 58.22 2fvt s SER 34 Cb 0.20 0.59 -0.00 0.00 0.21 0.00 0.00 66.02 67.02 2fvt s SER 34 CO 0.31 -0.49 -0.01 -0.76 0.41 0.00 0.00 173.24 172.70 2fvt s LEU 35 N -0.97 2.05 -0.43 2.44 1.43 -0.61 -2.23 118.68 120.37 2fvt s LEU 35 Ca -0.10 -0.11 -0.10 0.00 -1.03 0.00 0.00 54.13 52.79 2fvt s LEU 35 Cb -0.02 0.00 0.08 0.00 0.03 0.00 0.00 46.19 46.28 2fvt s LEU 35 CO 0.07 -0.06 0.28 -0.22 0.23 0.00 0.00 176.35 176.65 2fvt s LEU 36 N -0.31 5.22 -0.40 1.79 0.20 0.51 -2.06 118.68 123.63 2fvt s LEU 36 Ca -0.03 -1.46 -0.17 0.00 0.69 0.00 0.00 54.13 53.16 2fvt s LEU 36 Cb -0.02 -2.02 0.01 0.00 -0.43 0.00 0.00 46.19 43.73 2fvt s LEU 36 CO -0.00 -0.55 0.44 -0.36 -0.29 0.00 0.00 176.35 175.59 2fvt s PHE 37 N 1.47 3.17 0.50 5.38 0.08 0.38 -0.76 117.98 128.20 2fvt s PHE 37 Ca 0.03 -0.25 -0.03 0.00 0.12 0.00 0.00 56.93 56.80 2fvt s PHE 37 Cb -0.23 -2.88 -0.01 0.00 -0.57 0.00 0.00 43.02 39.33 2fvt s PHE 37 CO 0.03 -0.65 0.77 -0.51 -0.10 0.00 0.00 175.22 174.76 2fvt s LEU 38 N 2.17 3.51 0.00 -0.37 1.43 -0.23 -0.33 118.68 124.86 2fvt s LEU 38 Ca 0.13 0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 2fvt s LEU 38 Cb -0.17 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.63 2fvt s LEU 38 CO 0.14 -0.80 0.25 -0.81 0.23 0.00 0.00 176.35 175.36 2fvt n PRO 39 N -2.28 0.27 0.00 1.29 -0.04 -1.24 -3.65 135.00 129.36 2fvt n PRO 39 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2fvt n PRO 39 Cb 0.57 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.01 2fvt n PRO 39 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2fvt n ASP 40 N -0.34 0.00 -4.63 3.54 -0.08 -1.26 -4.82 116.55 108.96 2fvt n ASP 40 Ca 0.00 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.93 2fvt n ASP 40 Cb 0.01 0.03 -0.10 0.00 2.34 0.00 0.00 41.12 43.41 2fvt n ASP 40 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2fvt s ALA 41 N -1.08 3.24 -0.21 -1.67 0.00 -1.24 -0.17 121.76 120.63 2fvt s ALA 41 Ca 0.00 -0.80 -0.09 0.00 0.00 0.00 0.00 51.96 51.08 2fvt s ALA 41 Cb 0.00 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 2fvt s ALA 41 CO 0.00 0.42 0.10 0.08 0.00 0.00 0.00 175.76 176.37 2fvt s VAL 42 N -0.35 5.01 0.06 0.00 1.01 -1.14 -1.07 120.40 123.93 2fvt s VAL 42 Ca 0.07 0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.20 2fvt s VAL 42 Cb -0.12 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 2fvt s VAL 42 CO 0.02 0.41 -0.26 0.26 0.00 0.00 0.00 175.10 175.52 2fvt s TRP 43 N 0.72 2.32 0.00 5.22 0.52 0.06 -4.77 118.94 123.01 2fvt s TRP 43 Ca 0.05 -0.41 -0.26 0.00 0.02 0.00 0.00 56.10 55.51 2fvt s TRP 43 Cb -0.13 -1.37 -0.04 0.00 -1.15 0.00 0.00 33.47 30.78 2fvt s TRP 43 CO 0.02 0.16 0.81 0.20 0.02 0.00 0.00 176.95 178.16 2fvt s GLY 44 N -1.38 2.78 -0.30 0.98 0.00 -1.26 -0.37 107.32 107.78 2fvt s GLY 44 Ca 0.12 0.32 0.03 0.00 0.00 0.00 0.00 44.72 45.20 2fvt s GLY 44 CO 0.03 1.30 -0.02 0.86 0.00 0.00 0.00 173.10 175.27 2fvt s TRP 45 N 0.50 3.54 -1.16 1.90 -0.00 -0.95 -4.77 118.94 118.00 2fvt s TRP 45 Ca 0.42 -2.69 -0.21 0.00 -0.00 0.00 0.00 56.10 53.62 2fvt s TRP 45 Cb -0.20 -2.47 0.05 0.00 -0.00 0.00 0.00 33.47 30.85 2fvt s TRP 45 CO 0.23 -0.92 1.64 0.34 -0.00 0.00 0.00 176.95 178.24 2fvt s ASP 46 N 1.00 6.51 0.01 5.86 2.15 -1.26 -3.31 116.67 127.63 2fvt s ASP 46 Ca 0.02 -1.90 0.02 0.00 0.43 0.00 0.00 52.55 51.13 2fvt s ASP 46 Cb -0.19 -2.58 -0.01 0.00 -0.30 0.00 0.00 42.92 39.84 2fvt s ASP 46 CO -0.07 -1.50 -0.08 -0.69 -0.17 0.00 0.00 175.17 172.67 2fvt s VAL 47 N 5.21 0.60 0.00 1.11 1.01 -1.26 -5.02 120.40 122.05 2fvt s VAL 47 Ca 0.52 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2fvt s VAL 47 Cb 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.83 2fvt s VAL 47 CO 0.00 -0.03 0.10 0.41 0.00 0.00 0.00 175.10 175.59 2fvt n THR 48 N 2.35 0.00 -4.12 3.92 -1.04 -1.26 -3.73 114.28 110.41 2fvt n THR 48 Ca -0.17 -0.23 -0.16 0.00 -2.04 0.00 0.00 64.05 61.45 2fvt n THR 48 Cb 0.56 1.24 -0.15 0.00 -1.82 0.00 0.00 70.33 70.17 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 -0.25 0.45 0.62 -2.82 1.02 -1.26 -4.35 119.74 113.14 2fvt s LYS 49 Ca 0.00 -0.13 0.41 0.00 0.02 0.00 0.00 55.97 56.27 2fvt s LYS 49 Cb 0.00 -0.46 2.11 0.00 -0.52 0.00 0.00 37.83 38.95 2fvt s LYS 49 CO 0.00 0.05 2.24 -1.35 -0.92 0.00 0.00 175.35 175.37 2fvt h PRO 50 N 6.37 0.00 0.00 -1.68 0.11 -1.94 -0.70 132.00 134.16 2fvt h PRO 50 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2fvt h PRO 50 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2fvt h PRO 50 CO 0.50 0.00 0.00 -1.91 -0.21 0.00 0.00 178.00 176.38 2fvt n GLU 51 N -3.03 0.13 -0.51 1.05 2.13 -1.26 -3.29 120.64 115.85 2fvt n GLU 51 Ca -0.02 0.30 0.04 0.00 0.66 0.00 0.00 57.16 58.15 2fvt n GLU 51 Cb 0.13 -1.71 0.24 0.00 0.27 0.00 0.00 31.44 30.36 2fvt n GLU 51 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 2fvt n GLN 52 N -1.95 3.23 -3.44 5.31 7.27 -0.27 -4.80 117.38 122.73 2fvt n GLN 52 Ca 0.03 -1.84 -0.43 0.00 0.07 0.00 0.00 57.00 54.83 2fvt n GLN 52 Cb 0.25 -1.92 -0.08 0.00 2.41 0.00 0.00 30.24 30.90 2fvt n GLN 52 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2fvt s ILE 53 N -2.00 4.89 0.49 1.69 1.01 -1.21 -4.77 121.20 121.30 2fvt s ILE 53 Ca 0.32 -1.31 0.02 0.00 0.00 0.00 0.00 60.65 59.68 2fvt s ILE 53 Cb 0.24 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 2fvt s ILE 53 CO 0.10 -0.64 0.03 -0.62 0.00 0.00 0.00 174.94 173.80 2fvt s ASP 54 N 2.70 3.88 0.51 3.58 -1.08 -1.26 -4.94 116.67 120.06 2fvt s ASP 54 Ca 0.04 -1.65 0.26 0.00 -0.52 0.00 0.00 52.55 50.67 2fvt s ASP 54 Cb -0.25 0.49 1.40 0.00 -1.46 0.00 0.00 42.92 43.10 2fvt s ASP 54 CO 0.04 -0.86 2.07 0.08 0.52 0.00 0.00 175.17 177.02 2fvt h ARG 55 N 1.44 0.00 -0.62 4.34 0.11 -1.96 -0.55 114.38 117.14 2fvt h ARG 55 Ca -0.42 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.58 2fvt h ARG 55 Cb 1.31 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.36 2fvt h ARG 55 CO 0.71 0.12 0.08 -0.92 0.10 0.00 0.00 179.97 180.07 2fvt h TYR 56 N 0.00 1.12 -0.13 4.08 3.20 -1.97 -2.16 116.97 121.11 2fvt h TYR 56 Ca -0.00 -0.16 -0.11 0.00 3.14 0.00 0.00 58.73 61.59 2fvt h TYR 56 Cb 0.32 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 2fvt h TYR 56 CO 0.00 0.96 -0.43 0.77 -1.64 0.00 0.00 178.16 177.82 2fvt h SER 57 N 0.96 0.31 -0.66 -2.11 0.02 -1.46 -2.73 113.55 107.88 2fvt h SER 57 Ca 0.19 -0.14 -0.28 0.00 -0.84 0.00 0.00 61.79 60.72 2fvt h SER 57 Cb 0.46 -0.09 -0.17 0.00 0.14 0.00 0.00 62.40 62.74 2fvt h SER 57 CO 0.02 0.71 0.36 0.18 -1.14 0.00 0.00 176.83 176.95 2fvt n LEU 58 N -4.01 5.46 -0.31 5.07 4.77 -0.42 -4.56 117.00 123.00 2fvt n LEU 58 Ca -0.02 -2.87 0.05 0.00 -0.03 0.00 0.00 56.01 53.15 2fvt n LEU 58 Cb 0.50 -0.72 0.20 0.00 -2.33 0.00 0.00 43.42 41.07 2fvt n LEU 58 CO 0.43 0.81 1.16 -0.61 -1.33 0.00 0.00 177.39 177.84 2fvt h GLN 59 N 1.38 0.78 -0.36 3.23 4.15 -1.07 0.67 115.11 123.89 2fvt h GLN 59 Ca 0.34 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.62 2fvt h GLN 59 Cb 2.19 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 29.68 2fvt h GLN 59 CO 0.70 0.52 -0.17 0.00 -1.93 0.00 0.00 178.83 177.94 2fvt h ARG 60 N 0.80 0.68 -0.33 1.69 2.47 -1.86 -2.65 114.38 115.18 2fvt h ARG 60 Ca 0.45 -0.24 -0.11 0.00 -1.26 0.00 0.00 59.98 58.82 2fvt h ARG 60 Cb 0.48 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 2fvt h ARG 60 CO -0.28 0.81 -0.22 0.28 0.56 0.00 0.00 179.97 181.12 2fvt h VAL 61 N 0.61 1.29 0.00 2.04 2.07 -1.28 -0.48 116.25 120.50 2fvt h VAL 61 Ca 0.10 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.26 2fvt h VAL 61 Cb 0.64 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2fvt h VAL 61 CO 0.04 0.44 -0.01 -0.26 0.02 0.00 0.00 177.57 177.81 2fvt h PHE 62 N 0.49 0.00 0.00 1.57 0.04 -1.11 -1.61 116.94 116.32 2fvt h PHE 62 Ca 0.07 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.74 2fvt h PHE 62 Cb 0.77 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.91 2fvt h PHE 62 CO 0.06 0.01 -0.52 0.22 -0.60 0.00 0.00 178.31 177.48 2fvt h ASP 63 N 0.00 0.00 -0.42 2.17 3.58 -1.14 -3.34 116.42 117.26 2fvt h ASP 63 Ca -0.00 -0.68 -0.15 0.00 0.42 0.00 0.00 57.03 56.62 2fvt h ASP 63 Cb 0.54 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.50 2fvt h ASP 63 CO 0.00 1.14 0.20 0.59 -2.88 0.00 0.00 179.24 178.29 2fvt n ASN 64 N -4.55 3.41 -0.26 2.28 5.03 -0.22 -4.55 115.26 116.40 2fvt n ASN 64 Ca -0.18 -2.68 0.09 0.00 0.87 0.00 0.00 54.58 52.68 2fvt n ASN 64 Cb 0.51 -0.64 0.34 0.00 -1.02 0.00 0.00 39.78 38.97 2fvt n ASN 64 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2fvt h ALA 65 N 2.14 1.72 -0.98 5.41 0.00 -1.42 -1.16 119.26 124.97 2fvt h ALA 65 Ca 0.19 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.15 2fvt h ALA 65 Cb 1.67 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 19.22 2fvt h ALA 65 CO 0.44 0.09 0.64 -0.97 0.00 0.00 0.00 179.25 179.45 2fvt h ASN 66 N 0.79 1.04 0.89 0.00 -0.73 -1.87 -1.78 115.58 113.93 2fvt h ASN 66 Ca 0.40 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.57 2fvt h ASN 66 Cb 0.48 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.85 2fvt h ASN 66 CO -0.17 0.68 -0.28 0.00 -0.37 0.00 0.00 177.43 177.30 2fvt n ALA 67 N -2.38 2.82 -2.82 1.57 0.00 -0.46 -4.67 120.51 114.57 2fvt n ALA 67 Ca 0.14 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 2fvt n ALA 67 Cb 0.15 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.19 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 -3.05 4.75 -0.18 0.00 1.01 -0.67 -4.38 121.20 118.69 2fvt s ILE 68 Ca 0.11 -0.93 -0.09 0.00 0.00 0.00 0.00 60.65 59.74 2fvt s ILE 68 Cb 0.16 -3.71 -0.22 0.00 0.01 0.00 0.00 42.46 38.70 2fvt s ILE 68 CO 0.63 -0.34 0.17 -0.67 0.00 0.00 0.00 174.94 174.73 2fvt n ASP 69 N 5.05 2.03 -4.18 3.58 2.03 0.64 -4.37 116.55 121.32 2fvt n ASP 69 Ca -0.11 0.21 -0.32 0.00 0.52 0.00 0.00 54.79 55.09 2fvt n ASP 69 Cb 0.45 -0.81 -0.17 0.00 -0.72 0.00 0.00 41.12 39.88 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 2.03 -0.37 5.18 2.01 -0.62 -0.45 115.64 120.92 2fvt s THR 70 Ca -0.27 -0.98 -0.04 0.00 0.31 0.00 0.00 61.69 60.71 2fvt s THR 70 Cb 0.08 -1.78 0.08 0.00 0.01 0.00 0.00 72.50 70.88 2fvt s THR 70 CO 0.68 0.55 0.14 -0.22 -0.69 0.00 0.00 174.62 175.07 2fvt s LEU 71 N 0.66 4.72 -0.28 4.42 2.96 0.10 -1.23 118.68 130.03 2fvt s LEU 71 Ca -0.11 -1.59 -0.16 0.00 -0.22 0.00 0.00 54.13 52.05 2fvt s LEU 71 Cb -0.16 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 2fvt s LEU 71 CO 0.02 -0.43 0.41 -0.63 -1.32 0.00 0.00 176.35 174.39 2fvt s ILE 72 N 1.26 5.14 -0.24 6.68 1.01 -0.13 -0.18 121.20 134.74 2fvt s ILE 72 Ca 0.02 0.58 -0.04 0.00 0.00 0.00 0.00 60.65 61.21 2fvt s ILE 72 Cb -0.21 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.51 2fvt s ILE 72 CO -0.01 0.11 -0.02 -0.69 0.00 0.00 0.00 174.94 174.33 2fvt s VAL 73 N 2.13 3.40 -0.47 2.92 1.01 0.14 -0.42 120.40 129.12 2fvt s VAL 73 Ca 0.16 -0.65 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 2fvt s VAL 73 Cb -0.16 -2.64 0.04 0.00 0.00 0.00 0.00 36.38 33.63 2fvt s VAL 73 CO 0.10 0.30 0.59 -0.83 0.00 0.00 0.00 175.10 175.26 2fvt s GLY 74 N 1.45 1.78 -0.21 4.51 0.00 0.38 -1.07 107.32 114.17 2fvt s GLY 74 Ca 0.04 -1.52 0.02 0.00 0.00 0.00 0.00 44.72 43.25 2fvt s GLY 74 CO -0.02 1.43 1.43 -1.30 0.00 0.00 0.00 173.10 174.63 2fvt n THR 75 N 5.65 2.02 0.00 0.90 -2.24 -0.96 -0.26 114.28 119.39 2fvt n THR 75 Ca -0.05 -0.88 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 2fvt n THR 75 Cb 0.47 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 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 -0.23 2.25 1.89 3.38 0.00 -1.08 -4.13 105.19 107.27 2fvt n GLY 76 Ca 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 3.00 -2.10 4.61 0.00 -1.26 -3.70 120.51 121.05 2fvt n ALA 77 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2fvt n ALA 77 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -4.24 7.47 -0.10 0.00 2.15 -1.26 -4.64 116.67 116.05 2fvt s ASP 78 Ca 0.00 1.74 -0.30 0.00 0.43 0.00 0.00 52.55 54.43 2fvt s ASP 78 Cb 0.00 -2.56 -0.03 0.00 -0.30 0.00 0.00 42.92 40.04 2fvt s ASP 78 CO 0.00 0.06 1.28 -0.69 -0.17 0.00 0.00 175.17 175.65 2fvt s VAL 79 N -0.53 4.17 -0.20 1.11 1.01 -1.26 -4.69 120.40 120.01 2fvt s VAL 79 Ca 0.42 1.46 -0.12 0.00 0.00 0.00 0.00 61.98 63.74 2fvt s VAL 79 Cb -0.23 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 2fvt s VAL 79 CO 0.28 -0.07 0.20 0.86 0.00 0.00 0.00 175.10 176.38 2fvt s TRP 80 N 2.93 3.40 -0.32 5.22 -0.00 -1.26 -5.06 118.94 123.85 2fvt s TRP 80 Ca 0.57 0.40 -0.19 0.00 -0.00 0.00 0.00 56.10 56.87 2fvt s TRP 80 Cb -0.25 -2.26 -0.01 0.00 -0.00 0.00 0.00 33.47 30.96 2fvt s TRP 80 CO 0.19 0.20 0.59 0.42 -0.00 0.00 0.00 176.95 178.36 2fvt s ILE 81 N 0.62 4.97 0.76 5.86 1.01 -1.26 -4.97 121.20 128.19 2fvt s ILE 81 Ca 0.11 0.71 -0.14 0.00 0.00 0.00 0.00 60.65 61.33 2fvt s ILE 81 Cb -0.12 -3.98 0.06 0.00 0.01 0.00 0.00 42.46 38.43 2fvt s ILE 81 CO 0.02 -0.15 1.18 0.00 0.00 0.00 0.00 174.94 175.99 2fvt s ALA 82 N 2.54 2.03 0.33 9.38 0.00 -1.26 -4.93 121.76 129.85 2fvt s ALA 82 Ca 0.23 0.77 -0.26 0.00 0.00 0.00 0.00 51.96 52.69 2fvt s ALA 82 Cb -0.15 -3.44 -0.13 0.00 0.00 0.00 0.00 23.12 19.39 2fvt s ALA 82 CO 0.12 -2.00 0.89 -2.30 0.00 0.00 0.00 175.76 172.47 2fvt n PRO 83 N -3.04 1.10 -0.15 0.00 -0.02 -1.26 -4.65 135.00 126.98 2fvt n PRO 83 Ca 0.13 0.39 -0.03 0.00 -2.02 0.00 0.00 63.50 61.96 2fvt n PRO 83 Cb 0.51 -1.75 0.03 0.00 -0.02 0.00 0.00 33.50 32.27 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 1.60 -0.02 0.00 -0.52 3.08 -1.99 0.33 114.38 116.86 2fvt h ARG 84 Ca -0.40 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.63 2fvt h ARG 84 Cb 1.36 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.41 2fvt h ARG 84 CO 0.58 -0.01 -0.12 1.96 -1.07 0.00 0.00 179.97 181.31 2fvt h GLN 85 N -0.02 0.00 -0.02 0.04 1.08 -1.98 -1.06 115.11 113.15 2fvt h GLN 85 Ca 0.23 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 57.17 2fvt h GLN 85 Cb 0.37 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.82 2fvt h GLN 85 CO -0.51 0.12 -1.01 1.25 -0.95 0.00 0.00 178.83 177.73 2fvt h LEU 86 N 0.00 0.91 -0.23 1.46 5.85 -1.50 0.31 115.31 122.11 2fvt h LEU 86 Ca -0.00 -0.71 0.01 0.00 0.84 0.00 0.00 57.88 58.01 2fvt h LEU 86 Cb 0.97 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2fvt h LEU 86 CO 0.02 1.52 0.14 -0.09 -0.34 0.00 0.00 178.44 179.68 2fvt h ARG 87 N 0.41 0.28 -0.74 1.25 2.43 -0.23 -1.91 114.38 115.87 2fvt h ARG 87 Ca -0.12 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.00 2fvt h ARG 87 Cb 1.66 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 31.12 2fvt h ARG 87 CO 0.20 0.19 0.36 1.49 -1.51 0.00 0.00 179.97 180.69 2fvt h GLU 88 N 0.29 1.07 -0.24 0.20 4.81 -1.19 -2.44 114.58 117.08 2fvt h GLU 88 Ca 0.09 -0.16 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 2fvt h GLU 88 Cb -0.02 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.13 2fvt h GLU 88 CO -0.03 0.84 0.01 0.00 -0.73 0.00 0.00 179.01 179.10 2fvt h ALA 89 N 1.18 0.22 0.35 2.92 0.00 -0.60 0.96 119.26 124.29 2fvt h ALA 89 Ca 0.25 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2fvt h ALA 89 Cb 0.12 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2fvt h ALA 89 CO -0.03 -0.41 -0.18 -0.07 0.00 0.00 0.00 179.25 178.56 2fvt h LEU 90 N 0.09 -0.42 -1.75 0.00 3.38 -1.18 -2.70 115.31 112.73 2fvt h LEU 90 Ca 0.11 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2fvt h LEU 90 Cb 0.14 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2fvt h LEU 90 CO -0.18 -0.29 -0.17 0.03 0.09 0.00 0.00 178.44 177.92 2fvt h ARG 91 N -0.48 0.00 0.00 1.13 3.08 -1.22 -0.59 114.38 116.30 2fvt h ARG 91 Ca -0.05 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 2fvt h ARG 91 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2fvt h ARG 91 CO 0.07 0.17 -0.23 0.78 -1.07 0.00 0.00 179.97 179.69 2fvt h GLY 92 N 0.83 0.00 -2.59 0.04 0.00 -0.49 -1.36 103.07 99.50 2fvt h GLY 92 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2fvt h GLY 92 CO 0.02 0.00 0.00 -0.62 0.00 0.00 0.00 176.54 175.94 2fvt n VAL 93 N -4.17 1.59 0.00 4.60 0.31 -0.32 -4.88 118.33 115.46 2fvt n VAL 93 Ca -0.02 -0.93 0.00 0.00 -0.01 0.00 0.00 64.34 63.38 2fvt n VAL 93 Cb 0.29 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 2fvt n VAL 93 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2fvt n ASN 94 N 0.69 0.00 -4.58 4.52 5.15 -0.51 -4.88 115.26 115.64 2fvt n ASN 94 Ca 0.20 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.77 2fvt n ASN 94 Cb 0.78 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 40.01 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 -2.30 3.42 -0.36 3.44 1.01 -0.68 -4.77 120.40 120.17 2fvt s VAL 95 Ca 0.00 0.37 -0.29 0.00 0.00 0.00 0.00 61.98 62.06 2fvt s VAL 95 Cb 0.00 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.64 2fvt s VAL 95 CO 0.00 -0.60 1.28 -0.69 0.00 0.00 0.00 175.10 175.09 2fvt s VAL 96 N 7.94 4.13 -0.31 2.92 1.01 0.40 -2.68 120.40 133.82 2fvt s VAL 96 Ca 0.75 1.24 -0.29 0.00 0.00 0.00 0.00 61.98 63.68 2fvt s VAL 96 Cb -0.18 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 31.95 2fvt s VAL 96 CO 0.28 -0.63 1.07 -0.22 0.00 0.00 0.00 175.10 175.60 2fvt s LEU 97 N 4.57 3.95 -0.25 3.92 2.96 -1.26 0.00 118.68 132.57 2fvt s LEU 97 Ca 0.55 1.09 0.01 0.00 -0.22 0.00 0.00 54.13 55.56 2fvt s LEU 97 Cb -0.14 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.06 2fvt s LEU 97 CO 0.26 -0.86 -0.10 -0.62 -1.32 0.00 0.00 176.35 173.71 2fvt s ASP 98 N 1.60 4.27 -0.30 3.68 2.15 0.74 -4.97 116.67 123.85 2fvt s ASP 98 Ca 0.45 -1.19 -0.14 0.00 0.43 0.00 0.00 52.55 52.10 2fvt s ASP 98 Cb -0.12 -1.57 -0.03 0.00 -0.30 0.00 0.00 42.92 40.89 2fvt s ASP 98 CO 0.14 -0.16 0.31 0.42 -0.17 0.00 0.00 175.17 175.72 2fvt s THR 99 N 1.18 5.21 0.11 1.71 -4.23 -1.26 0.27 115.64 118.64 2fvt s THR 99 Ca -0.05 0.25 -0.03 0.00 -1.18 0.00 0.00 61.69 60.68 2fvt s THR 99 Cb -0.18 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 69.93 2fvt s THR 99 CO -0.06 0.09 0.07 -0.32 -0.54 0.00 0.00 174.62 173.86 2fvt s MET 100 N 1.95 0.86 0.36 3.99 0.00 -0.23 -4.97 119.30 121.26 2fvt s MET 100 Ca 0.11 -1.31 -0.28 0.00 0.00 0.00 0.00 55.69 54.21 2fvt s MET 100 Cb -0.16 0.26 -0.10 0.00 0.00 0.00 0.00 34.83 34.83 2fvt s MET 100 CO 0.11 -0.24 1.34 -0.65 0.00 0.00 0.00 175.02 175.58 2fvt s GLN 101 N -3.99 4.21 0.20 4.11 1.11 -1.26 -2.26 119.66 121.78 2fvt s GLN 101 Ca 0.17 2.27 -0.10 0.00 0.01 0.00 0.00 55.36 57.71 2fvt s GLN 101 Cb 0.07 -2.97 0.24 0.00 -1.01 0.00 0.00 33.01 29.34 2fvt s GLN 101 CO -0.03 -0.33 1.76 1.15 0.01 0.00 0.00 175.29 177.86 2fvt h THR 102 N 2.88 0.84 0.07 -0.19 2.02 -1.83 -0.76 112.91 115.95 2fvt h THR 102 Ca -0.49 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.52 2fvt h THR 102 Cb 1.23 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2fvt h THR 102 CO 0.64 0.09 -0.09 1.23 0.37 0.00 0.00 175.52 177.76 2fvt h GLY 103 N 0.47 -0.88 0.58 2.16 0.00 -1.92 0.10 103.07 103.59 2fvt h GLY 103 Ca 0.29 0.39 0.14 0.00 0.00 0.00 0.00 47.33 48.15 2fvt h GLY 103 CO -0.25 -0.31 0.55 -0.56 0.00 0.00 0.00 176.54 175.96 2fvt h PRO 104 N -0.17 0.58 -0.95 4.80 0.13 -1.96 -1.20 132.00 133.24 2fvt h PRO 104 Ca -0.01 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2fvt h PRO 104 Cb 0.15 -0.13 -0.05 0.00 0.13 0.00 0.00 31.00 31.10 2fvt h PRO 104 CO -0.02 0.38 0.58 0.00 -0.23 0.00 0.00 178.00 178.71 2fvt h ALA 105 N 1.61 1.24 -0.48 -0.56 0.00 -0.80 0.13 119.26 120.39 2fvt h ALA 105 Ca 0.42 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.26 2fvt h ALA 105 Cb 0.76 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2fvt h ALA 105 CO -0.17 0.66 0.27 0.82 0.00 0.00 0.00 179.25 180.83 2fvt h ILE 106 N 1.30 1.02 -0.49 0.00 2.04 0.45 0.38 117.51 122.22 2fvt h ILE 106 Ca 0.34 -0.19 -0.12 0.00 1.00 0.00 0.00 64.86 65.90 2fvt h ILE 106 Cb -0.07 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 2fvt h ILE 106 CO -0.07 0.10 -0.15 0.03 0.00 0.00 0.00 178.15 178.06 2fvt h ARG 107 N 0.54 0.96 -0.43 2.37 3.08 -1.08 0.15 114.38 119.98 2fvt h ARG 107 Ca 0.20 -0.39 0.03 0.00 0.07 0.00 0.00 59.98 59.90 2fvt h ARG 107 Cb 0.05 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 2fvt h ARG 107 CO -0.11 1.05 0.22 1.15 -1.07 0.00 0.00 179.97 181.21 2fvt h THR 108 N 0.82 0.98 -0.29 2.04 2.02 -0.45 -1.26 112.91 116.77 2fvt h THR 108 Ca 0.12 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 2fvt h THR 108 Cb 0.72 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2fvt h THR 108 CO 0.06 0.08 0.14 0.22 0.37 0.00 0.00 175.52 176.39 2fvt h TYR 109 N 0.44 0.41 -0.64 3.16 3.20 -0.70 -0.72 116.97 122.11 2fvt h TYR 109 Ca 0.18 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.14 2fvt h TYR 109 Cb 0.08 -0.13 -0.08 0.00 1.54 0.00 0.00 36.73 38.15 2fvt h TYR 109 CO -0.10 0.36 0.23 -0.97 -1.64 0.00 0.00 178.16 176.04 2fvt h ASN 110 N 0.33 0.21 -0.04 -2.11 -0.73 -0.27 0.23 115.58 113.20 2fvt h ASN 110 Ca 0.10 0.09 -0.02 0.00 1.87 0.00 0.00 56.30 58.34 2fvt h ASN 110 Cb 0.10 0.08 -0.00 0.00 0.27 0.00 0.00 38.32 38.77 2fvt h ASN 110 CO -0.01 0.11 -0.06 0.40 -0.37 0.00 0.00 177.43 177.50 2fvt h ILE 111 N 0.40 1.42 -0.41 2.57 2.04 -1.10 -3.27 117.51 119.17 2fvt h ILE 111 Ca 0.33 -1.34 -0.08 0.00 1.00 0.00 0.00 64.86 64.77 2fvt h ILE 111 Cb 0.44 2.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 2fvt h ILE 111 CO -0.34 0.36 -0.08 -0.03 0.00 0.00 0.00 178.15 178.06 2fvt h MET 112 N -0.40 0.70 0.00 2.37 4.05 -0.70 -1.73 114.93 119.22 2fvt h MET 112 Ca 0.00 -0.21 -0.04 0.00 -0.28 0.00 0.00 59.70 59.17 2fvt h MET 112 Cb 0.62 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 2fvt h MET 112 CO 0.01 0.77 -0.17 0.97 0.23 0.00 0.00 176.91 178.73 2fvt h ILE 113 N 0.65 0.59 0.00 1.77 6.09 -0.65 0.18 117.51 126.13 2fvt h ILE 113 Ca 0.12 -0.79 0.00 0.00 -1.37 0.00 0.00 64.86 62.82 2fvt h ILE 113 Cb 0.52 1.52 0.00 0.00 0.47 0.00 0.00 36.82 39.33 2fvt h ILE 113 CO 0.03 0.17 -1.35 0.61 -3.07 0.00 0.00 178.15 174.54 2fvt n GLY 114 N -0.36 -1.15 0.04 8.18 0.00 -0.98 -4.10 105.19 106.82 2fvt n GLY 114 Ca -0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 46.02 45.55 2fvt n GLY 114 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2fvt h GLU 115 N 0.00 0.00 0.00 1.61 4.81 -0.69 -3.46 114.58 116.85 2fvt h GLU 115 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2fvt h GLU 115 Cb 0.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.22 2fvt h GLU 115 CO 0.00 0.00 -0.59 -2.13 -0.73 0.00 0.00 179.01 175.56 2fvt n ARG 116 N -3.73 2.45 0.00 1.92 0.63 -0.41 -5.09 116.66 112.43 2fvt n ARG 116 Ca -0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 2fvt n ARG 116 Cb 0.14 -0.79 0.00 0.00 0.45 0.00 0.00 32.46 32.25 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 -0.98 0.00 -1.63 -0.14 1.74 0.49 -4.91 116.66 111.23 2fvt n ARG 117 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 2fvt n ARG 117 Cb 0.06 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.44 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 9.67 -1.22 -4.82 5.56 5.12 -1.26 -4.80 116.66 124.91 2fvt n ARG 118 Ca 0.00 1.06 -0.25 0.00 -1.93 0.00 0.00 57.85 56.73 2fvt n ARG 118 Cb 0.00 -5.32 -0.15 0.00 -1.16 0.00 0.00 32.46 25.83 2fvt n ARG 118 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2fvt s VAL 119 N -2.67 1.36 -0.04 1.55 0.11 -1.26 -0.26 120.40 119.19 2fvt s VAL 119 Ca 0.00 -0.75 0.06 0.00 -2.93 0.00 0.00 61.98 58.37 2fvt s VAL 119 Cb 0.00 -1.14 -0.01 0.00 -1.53 0.00 0.00 36.38 33.70 2fvt s VAL 119 CO 0.00 0.38 -0.23 0.00 -3.33 0.00 0.00 175.10 171.92 2fvt s ALA 120 N -0.42 1.96 -0.31 1.54 0.00 -0.37 -3.63 121.76 120.54 2fvt s ALA 120 Ca 0.07 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 2fvt s ALA 120 Cb -0.07 -0.56 0.04 0.00 0.00 0.00 0.00 23.12 22.53 2fvt s ALA 120 CO -0.01 0.42 0.02 0.00 0.00 0.00 0.00 175.76 176.20 2fvt s ALA 121 N -0.31 2.87 -0.71 0.00 0.00 0.55 -0.95 121.76 123.20 2fvt s ALA 121 Ca 0.02 -1.73 -0.16 0.00 0.00 0.00 0.00 51.96 50.09 2fvt s ALA 121 Cb -0.11 -2.01 0.16 0.00 0.00 0.00 0.00 23.12 21.16 2fvt s ALA 121 CO 0.01 -1.25 0.73 0.00 0.00 0.00 0.00 175.76 175.25 2fvt s ALA 122 N 1.30 3.71 -0.25 0.00 0.00 0.44 -0.47 121.76 126.50 2fvt s ALA 122 Ca -0.04 -2.77 -0.08 0.00 0.00 0.00 0.00 51.96 49.07 2fvt s ALA 122 Cb -0.19 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 2fvt s ALA 122 CO -0.00 -2.33 0.09 -0.51 0.00 0.00 0.00 175.76 173.01 2fvt s LEU 123 N 1.50 3.58 -0.03 0.00 1.43 -0.87 -0.47 118.68 123.82 2fvt s LEU 123 Ca 0.14 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 2fvt s LEU 123 Cb -0.18 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 2fvt s LEU 123 CO -0.02 -0.02 -0.04 -0.63 0.23 0.00 0.00 176.35 175.87 2fvt s ILE 124 N 1.53 3.92 0.71 -0.59 1.01 0.64 -1.57 121.20 126.85 2fvt s ILE 124 Ca 0.06 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2fvt s ILE 124 Cb -0.15 -2.69 0.12 0.00 0.01 0.00 0.00 42.46 39.76 2fvt s ILE 124 CO 0.05 0.46 0.98 0.00 0.00 0.00 0.00 174.94 176.43 2fvt s ALA 125 N -0.97 3.78 0.31 9.38 0.00 0.14 -2.63 121.76 131.77 2fvt s ALA 125 Ca 0.16 -1.76 -0.29 0.00 0.00 0.00 0.00 51.96 50.07 2fvt s ALA 125 Cb -0.11 -1.96 -0.10 0.00 0.00 0.00 0.00 23.12 20.95 2fvt s ALA 125 CO 0.06 -1.41 1.14 0.14 0.00 0.00 0.00 175.76 175.69 2fvt s VAL 126 N -3.10 3.33 -0.94 0.00 -7.23 -1.26 -4.53 120.40 106.66 2fvt s VAL 126 Ca 0.66 1.30 -0.25 0.00 -1.81 0.00 0.00 61.98 61.88 2fvt s VAL 126 Cb -0.05 -3.81 -0.12 0.00 0.56 0.00 0.00 36.38 32.95 2fvt s VAL 126 CO 0.44 0.28 2.15 -2.84 -0.31 0.00 0.00 175.10 174.82 2fvt s PRO 127 N -1.65 1.91 0.07 4.82 0.02 -1.26 -4.75 135.00 134.16 2fvt s PRO 127 Ca 0.47 -0.18 -0.16 0.00 0.02 0.00 0.00 61.00 61.16 2fvt s PRO 127 Cb -0.33 -4.97 -0.18 0.00 0.02 0.00 0.00 34.50 29.04 2fvt s PRO 127 CO 0.42 -4.31 1.25 1.25 -0.33 0.00 0.00 177.00 175.28 2fvt h LEU 128 N 20.50 0.77 0.00 -5.54 5.85 -1.90 -3.46 115.31 131.53 2fvt h LEU 128 Ca 0.06 -0.65 -0.46 0.00 0.84 0.00 0.00 57.88 57.67 2fvt h LEU 128 Cb 0.99 -0.23 0.05 0.00 0.37 0.00 0.00 40.66 41.84 2fvt h LEU 128 CO 1.10 1.30 0.01 -0.62 -0.34 0.00 0.00 178.44 179.88 2fvt n GLU 129 N -4.09 0.33 -3.65 1.25 1.02 -1.26 -5.11 120.64 109.14 2fvt n GLU 129 Ca -0.08 -2.88 -0.28 0.00 -0.02 0.00 0.00 57.16 53.91 2fvt n GLU 129 Cb 0.68 -0.40 -0.16 0.00 -0.02 0.00 0.00 31.44 31.54 2fvt n GLU 129 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2fvt s HIS 130 N -2.69 0.69 -0.33 -0.32 -3.43 -1.26 -5.10 115.29 102.85 2fvt s HIS 130 Ca 0.61 -0.82 0.01 0.00 -0.80 0.00 0.00 55.06 54.06 2fvt s HIS 130 Cb -0.04 -0.99 0.10 0.00 -1.43 0.00 0.00 32.58 30.22 2fvt s HIS 130 CO 0.40 -0.67 0.10 -1.01 -2.00 0.00 0.00 174.74 171.56 2fvt s HIS 131 N 1.97 2.34 -1.43 0.38 3.76 -1.26 -5.01 115.29 116.04 2fvt s HIS 131 Ca 0.04 -2.19 -0.14 0.00 -0.15 0.00 0.00 55.06 52.62 2fvt s HIS 131 Cb -0.17 -2.10 0.05 0.00 1.11 0.00 0.00 32.58 31.48 2fvt s HIS 131 CO -0.18 -0.89 2.17 0.72 -0.85 0.00 0.00 174.74 175.71 2fvt n HIS 132 N 4.53 3.55 -0.00 1.40 8.25 -1.26 -4.63 115.22 127.06 2fvt n HIS 132 Ca 0.01 -2.96 -0.17 0.00 -0.26 0.00 0.00 57.72 54.34 2fvt n HIS 132 Cb 0.41 -2.51 -0.12 0.00 1.12 0.00 0.00 29.99 28.90 2fvt n HIS 132 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2fvt h HIS 133 N 6.07 0.46 0.00 4.41 6.17 -2.06 -3.43 115.15 126.76 2fvt h HIS 133 Ca 0.55 -0.27 0.00 0.00 0.71 0.00 0.00 60.37 61.36 2fvt h HIS 133 Cb 0.65 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 30.54 2fvt h HIS 133 CO 1.44 1.11 0.00 1.58 0.71 0.00 0.00 177.93 182.77 2fvt n HIS 134 N -4.31 0.00 -1.46 5.26 -0.00 -1.26 -5.36 115.22 108.09 2fvt n HIS 134 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.61 2fvt n HIS 134 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.63 2fvt n HIS 134 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92