#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fvt n ALA 2 N 0.00 -1.67 -2.61 -5.12 0.00 -1.26 -4.64 120.51 105.22 2fvt n ALA 2 Ca 0.00 0.20 -0.41 0.00 0.00 0.00 0.00 53.44 53.24 2fvt n ALA 2 Cb 0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 19.45 18.80 2fvt n ALA 2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2fvt s GLN 3 N -1.07 3.98 0.00 0.00 0.74 -1.26 -4.98 119.66 117.08 2fvt s GLN 3 Ca 0.00 0.31 0.00 0.00 0.05 0.00 0.00 55.36 55.72 2fvt s GLN 3 Cb 0.00 -3.69 0.00 0.00 1.10 0.00 0.00 33.01 30.42 2fvt s GLN 3 CO 0.00 -0.46 0.00 0.54 -0.55 0.00 0.00 175.29 174.82 2fvt n ARG 4 N 5.70 0.00 -3.19 1.67 1.74 -1.26 -4.79 116.66 116.52 2fvt n ARG 4 Ca -0.03 0.24 -0.44 0.00 -0.77 0.00 0.00 57.85 56.85 2fvt n ARG 4 Cb 0.49 -0.72 -0.06 0.00 -1.02 0.00 0.00 32.46 31.15 2fvt n ARG 4 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2fvt s SER 5 N -3.31 6.19 0.26 0.55 1.04 -1.26 -5.05 113.70 112.12 2fvt s SER 5 Ca 0.00 -1.28 -0.10 0.00 0.48 0.00 0.00 55.95 55.05 2fvt s SER 5 Cb 0.00 -2.27 -0.07 0.00 0.10 0.00 0.00 66.02 63.78 2fvt s SER 5 CO 0.00 -0.93 0.59 -1.83 0.98 0.00 0.00 173.24 172.05 2fvt s GLU 6 N 2.38 3.82 -0.60 4.02 -1.05 -1.26 -5.04 118.70 120.97 2fvt s GLU 6 Ca 0.11 0.34 -0.16 0.00 -0.15 0.00 0.00 54.97 55.10 2fvt s GLU 6 Cb -0.23 -2.59 0.14 0.00 -0.44 0.00 0.00 34.13 31.01 2fvt s GLU 6 CO 0.08 0.26 0.57 0.96 0.95 0.00 0.00 175.26 178.08 2fvt s ILE 7 N -1.90 5.24 -0.83 1.83 -4.36 -1.26 -4.94 121.20 114.98 2fvt s ILE 7 Ca 0.49 -1.63 0.15 0.00 -0.26 0.00 0.00 60.65 59.39 2fvt s ILE 7 Cb -0.11 -4.38 0.14 0.00 1.25 0.00 0.00 42.46 39.36 2fvt s ILE 7 CO 0.22 -0.93 1.47 -0.81 0.24 0.00 0.00 174.94 175.13 2fvt n PRO 8 N 5.13 0.05 -1.01 0.37 -0.04 -1.26 -4.98 135.00 133.27 2fvt n PRO 8 Ca -0.08 0.35 0.13 0.00 -0.04 0.00 0.00 63.50 63.85 2fvt n PRO 8 Cb 0.42 -1.61 -0.05 0.00 -0.04 0.00 0.00 33.50 32.22 2fvt n PRO 8 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2fvt n HIS 9 N -1.72 -2.60 -3.80 0.54 -0.00 -1.26 -4.67 115.22 101.71 2fvt n HIS 9 Ca 0.02 1.36 -0.29 0.00 0.46 0.00 0.00 57.72 59.28 2fvt n HIS 9 Cb 0.15 -2.37 -0.11 0.00 -0.12 0.00 0.00 29.99 27.55 2fvt n HIS 9 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2fvt n PHE 10 N -3.70 3.40 -3.98 1.57 7.35 -1.26 -5.08 117.46 115.77 2fvt n PHE 10 Ca -0.02 -4.27 -0.21 0.00 -0.76 0.00 0.00 57.45 52.18 2fvt n PHE 10 Cb 0.47 -0.66 -0.03 0.00 0.35 0.00 0.00 39.48 39.60 2fvt n PHE 10 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2fvt s PRO 11 N -1.65 3.03 -1.47 -7.13 0.04 -1.26 -1.27 135.00 125.29 2fvt s PRO 11 Ca 0.28 -1.02 -0.03 0.00 0.04 0.00 0.00 61.00 60.27 2fvt s PRO 11 Cb -0.01 -2.65 0.01 0.00 0.04 0.00 0.00 34.50 31.89 2fvt s PRO 11 CO -0.14 0.33 0.25 0.54 0.04 0.00 0.00 177.00 178.02 2fvt n ARG 12 N -1.31 -3.02 -3.00 4.56 5.12 -1.26 -4.91 116.66 112.85 2fvt n ARG 12 Ca -0.06 0.81 -0.43 0.00 -1.93 0.00 0.00 57.85 56.23 2fvt n ARG 12 Cb 0.58 -5.52 -0.05 0.00 -1.16 0.00 0.00 32.46 26.31 2fvt n ARG 12 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2fvt s THR 13 N -2.96 4.64 0.00 0.55 2.01 -1.26 -4.77 115.64 113.85 2fvt s THR 13 Ca 0.15 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.11 2fvt s THR 13 Cb -0.07 -4.40 0.00 0.00 0.01 0.00 0.00 72.50 68.04 2fvt s THR 13 CO 0.18 -0.93 0.60 0.00 -0.69 0.00 0.00 174.62 173.78 2fvt n ALA 14 N 6.80 1.49 -2.88 7.40 0.00 -1.26 -4.99 120.51 127.06 2fvt n ALA 14 Ca -0.02 -0.60 -0.44 0.00 0.00 0.00 0.00 53.44 52.39 2fvt n ALA 14 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.87 2fvt n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fvt s ALA 15 N -0.36 3.28 -0.25 0.00 0.00 -1.26 -4.83 121.76 118.34 2fvt s ALA 15 Ca 0.00 -1.85 -0.09 0.00 0.00 0.00 0.00 51.96 50.02 2fvt s ALA 15 Cb 0.00 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 2fvt s ALA 15 CO 0.00 -2.40 0.12 0.42 0.00 0.00 0.00 175.76 173.90 2fvt s ILE 16 N 3.27 4.83 -0.10 0.00 1.01 -1.26 -4.61 121.20 124.34 2fvt s ILE 16 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.82 2fvt s ILE 16 Cb -0.19 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 39.00 2fvt s ILE 16 CO 0.11 0.32 0.00 -0.78 0.00 0.00 0.00 174.94 174.59 2fvt h ASP 17 N 8.08 0.00 -3.92 3.58 1.82 -1.72 -3.48 116.42 120.77 2fvt h ASP 17 Ca -0.37 -0.02 -0.48 0.00 -0.39 0.00 0.00 57.03 55.77 2fvt h ASP 17 Cb 1.18 0.00 -0.19 0.00 0.68 0.00 0.00 39.33 41.00 2fvt h ASP 17 CO 0.58 0.53 -0.78 0.00 -1.61 0.00 0.00 179.24 177.96 2fvt s ALA 18 N -2.56 1.73 -0.16 -0.78 0.00 0.63 -5.01 121.76 115.61 2fvt s ALA 18 Ca -0.01 -1.33 -0.02 0.00 0.00 0.00 0.00 51.96 50.60 2fvt s ALA 18 Cb 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 23.12 23.01 2fvt s ALA 18 CO 0.03 0.21 -0.01 -0.47 0.00 0.00 0.00 175.76 175.52 2fvt s TYR 19 N -1.83 1.24 0.00 0.00 5.04 -1.26 -2.54 117.35 118.00 2fvt s TYR 19 Ca 0.10 -0.82 0.00 0.00 -2.44 0.00 0.00 57.07 53.91 2fvt s TYR 19 Cb -0.07 -1.10 0.00 0.00 0.35 0.00 0.00 41.96 41.14 2fvt s TYR 19 CO 0.05 -0.56 0.00 0.41 -1.34 0.00 0.00 175.55 174.11 2fvt n GLY 20 N 5.00 1.35 3.76 8.97 0.00 -1.06 -5.07 105.19 118.13 2fvt n GLY 20 Ca -0.10 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 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 4.65 -1.74 1.61 1.02 -1.26 -2.62 119.74 121.41 2fvt s LYS 21 Ca 0.00 1.79 0.00 0.00 0.02 0.00 0.00 55.97 57.78 2fvt s LYS 21 Cb 0.00 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 2fvt s LYS 21 CO 0.00 0.22 0.00 0.41 -0.92 0.00 0.00 175.35 175.06 2fvt n GLY 22 N 1.24 1.60 7.00 -3.33 0.00 -1.26 -4.42 105.19 106.03 2fvt n GLY 22 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2fvt n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fvt n GLY 23 N -0.55 1.63 3.30 -0.02 0.00 -1.08 -2.07 105.19 106.40 2fvt n GLY 23 Ca -0.16 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 3.28 -0.26 1.61 0.08 0.07 -2.58 117.98 120.19 2fvt s PHE 24 Ca 0.00 -1.35 -0.09 0.00 0.12 0.00 0.00 56.93 55.61 2fvt s PHE 24 Cb 0.00 -2.54 -0.04 0.00 -0.57 0.00 0.00 43.02 39.87 2fvt s PHE 24 CO 0.00 -0.75 0.12 -0.47 -0.10 0.00 0.00 175.22 174.02 2fvt s TYR 25 N 1.44 3.15 0.34 0.36 5.04 -1.05 -0.78 117.35 125.86 2fvt s TYR 25 Ca 0.01 -0.16 0.05 0.00 -2.44 0.00 0.00 57.07 54.53 2fvt s TYR 25 Cb -0.20 -2.28 -0.03 0.00 0.35 0.00 0.00 41.96 39.79 2fvt s TYR 25 CO 0.04 -0.23 0.20 -0.59 -1.34 0.00 0.00 175.55 173.62 2fvt s PHE 26 N 1.57 1.69 -0.61 4.97 -0.71 -1.05 -0.26 117.98 123.58 2fvt s PHE 26 Ca 0.06 -1.47 -0.26 0.00 -1.04 0.00 0.00 56.93 54.23 2fvt s PHE 26 Cb -0.15 -0.87 -0.08 0.00 -1.21 0.00 0.00 43.02 40.70 2fvt s PHE 26 CO 0.06 -0.60 2.32 0.00 -1.34 0.00 0.00 175.22 175.66 2fvt s ALA 27 N -3.45 1.44 0.00 1.99 0.00 -1.26 -2.90 121.76 117.57 2fvt s ALA 27 Ca 0.34 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2fvt s ALA 27 Cb 0.03 -4.42 0.00 0.00 0.00 0.00 0.00 23.12 18.74 2fvt s ALA 27 CO 0.20 -4.82 0.00 0.41 0.00 0.00 0.00 175.76 171.55 2fvt n GLY 28 N 6.23 2.04 3.26 0.00 0.00 -1.26 -5.12 105.19 110.34 2fvt n GLY 28 Ca 0.38 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 2fvt n GLY 28 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2fvt s MET 29 N 0.00 0.96 -0.61 1.61 0.23 -1.14 -5.10 119.30 115.25 2fvt s MET 29 Ca 0.00 -1.00 -0.14 0.00 -1.03 0.00 0.00 55.69 53.52 2fvt s MET 29 Cb 0.00 0.37 0.15 0.00 -1.53 0.00 0.00 34.83 33.82 2fvt s MET 29 CO 0.00 -0.33 0.55 -1.12 -2.03 0.00 0.00 175.02 172.09 2fvt s SER 30 N -2.89 6.24 -0.42 -1.18 0.01 -1.26 -2.54 113.70 111.67 2fvt s SER 30 Ca 0.08 -2.10 -0.10 0.00 1.31 0.00 0.00 55.95 55.14 2fvt s SER 30 Cb 0.04 -2.17 0.07 0.00 0.21 0.00 0.00 66.02 64.17 2fvt s SER 30 CO -0.08 -0.74 0.27 -2.28 0.41 0.00 0.00 173.24 170.83 2fvt s HIS 31 N 1.10 3.31 0.51 2.43 5.04 0.04 -4.90 115.29 122.83 2fvt s HIS 31 Ca 0.08 -1.38 -0.08 0.00 -1.54 0.00 0.00 55.06 52.13 2fvt s HIS 31 Cb -0.24 -2.93 -0.04 0.00 0.04 0.00 0.00 32.58 29.41 2fvt s HIS 31 CO -0.01 -0.82 0.87 1.14 -2.34 0.00 0.00 174.74 173.58 2fvt s GLN 32 N 1.47 3.61 0.00 2.88 0.00 -0.88 -0.75 119.66 125.99 2fvt s GLN 32 Ca 0.03 0.44 0.00 0.00 -0.00 0.00 0.00 55.36 55.83 2fvt s GLN 32 Cb -0.23 -2.28 0.00 0.00 0.00 0.00 0.00 33.01 30.51 2fvt s GLN 32 CO 0.03 -0.30 0.00 0.41 0.00 0.00 0.00 175.29 175.44 2fvt n GLY 33 N -2.24 1.01 3.29 2.60 0.00 -1.26 -4.94 105.19 103.65 2fvt n GLY 33 Ca 0.03 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 2fvt n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fvt s SER 34 N -4.00 -0.19 -0.03 1.61 1.04 -1.25 0.11 113.70 110.99 2fvt s SER 34 Ca 0.00 -0.17 0.04 0.00 0.48 0.00 0.00 55.95 56.29 2fvt s SER 34 Cb 0.00 0.41 -0.00 0.00 0.10 0.00 0.00 66.02 66.52 2fvt s SER 34 CO 0.00 -0.69 -0.13 -0.76 0.98 0.00 0.00 173.24 172.64 2fvt s LEU 35 N -2.24 1.87 -0.39 2.42 1.43 0.22 -1.98 118.68 120.00 2fvt s LEU 35 Ca -0.03 -0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 52.72 2fvt s LEU 35 Cb 0.00 -0.78 0.07 0.00 0.03 0.00 0.00 46.19 45.52 2fvt s LEU 35 CO -0.05 0.12 0.20 -0.22 0.23 0.00 0.00 176.35 176.63 2fvt s LEU 36 N 0.07 4.91 -0.13 1.79 0.20 0.13 -1.27 118.68 124.40 2fvt s LEU 36 Ca -0.03 -1.49 -0.15 0.00 0.69 0.00 0.00 54.13 53.15 2fvt s LEU 36 Cb -0.10 -1.92 -0.05 0.00 -0.43 0.00 0.00 46.19 43.69 2fvt s LEU 36 CO 0.01 -0.48 0.36 -0.36 -0.29 0.00 0.00 176.35 175.59 2fvt s PHE 37 N 1.37 3.51 0.29 5.38 0.08 0.14 -0.30 117.98 128.44 2fvt s PHE 37 Ca 0.02 0.73 0.11 0.00 0.12 0.00 0.00 56.93 57.91 2fvt s PHE 37 Cb -0.22 -2.39 -0.05 0.00 -0.57 0.00 0.00 43.02 39.79 2fvt s PHE 37 CO 0.01 0.28 -0.12 -0.51 -0.10 0.00 0.00 175.22 174.78 2fvt s LEU 38 N 0.29 2.80 0.53 -0.37 1.43 0.17 -0.65 118.68 122.89 2fvt s LEU 38 Ca 0.20 -0.95 0.36 0.00 -1.03 0.00 0.00 54.13 52.71 2fvt s LEU 38 Cb -0.14 -1.27 1.54 0.00 0.03 0.00 0.00 46.19 46.35 2fvt s LEU 38 CO 0.07 -0.03 1.79 -0.65 0.23 0.00 0.00 176.35 177.76 2fvt h PRO 39 N 2.10 0.02 0.00 1.29 0.11 -1.88 -2.19 132.00 131.45 2fvt h PRO 39 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2fvt h PRO 39 Cb 1.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2fvt h PRO 39 CO 0.62 0.02 -0.42 -0.40 -0.21 0.00 0.00 178.00 177.61 2fvt n ASP 40 N -4.20 0.32 -3.67 -2.05 5.68 -1.26 -4.45 116.55 106.92 2fvt n ASP 40 Ca 0.27 -2.12 -0.13 0.00 -0.50 0.00 0.00 54.79 52.31 2fvt n ASP 40 Cb 1.27 -0.22 -0.07 0.00 -1.14 0.00 0.00 41.12 40.96 2fvt n ASP 40 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2fvt s ALA 41 N -0.39 -1.04 -0.11 2.12 0.00 -0.83 -3.99 121.76 117.54 2fvt s ALA 41 Ca 0.04 0.40 -0.00 0.00 0.00 0.00 0.00 51.96 52.40 2fvt s ALA 41 Cb 0.04 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.45 2fvt s ALA 41 CO 0.00 -0.42 -0.08 0.08 0.00 0.00 0.00 175.76 175.34 2fvt s VAL 42 N -2.18 1.05 0.03 0.00 1.01 -0.40 0.46 120.40 120.38 2fvt s VAL 42 Ca -0.07 -0.32 0.09 0.00 0.00 0.00 0.00 61.98 61.68 2fvt s VAL 42 Cb -0.01 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 2fvt s VAL 42 CO -0.00 0.37 -0.26 0.26 0.00 0.00 0.00 175.10 175.46 2fvt s TRP 43 N 1.54 2.32 -0.23 5.22 0.52 0.58 -4.88 118.94 124.02 2fvt s TRP 43 Ca 0.02 -0.42 -0.29 0.00 0.02 0.00 0.00 56.10 55.43 2fvt s TRP 43 Cb -0.13 -1.41 -0.00 0.00 -1.15 0.00 0.00 33.47 30.78 2fvt s TRP 43 CO -0.06 0.10 1.22 0.20 0.02 0.00 0.00 176.95 178.43 2fvt s GLY 44 N -1.14 1.57 0.13 0.98 0.00 -1.26 0.22 107.32 107.81 2fvt s GLY 44 Ca 0.11 0.26 -0.21 0.00 0.00 0.00 0.00 44.72 44.89 2fvt s GLY 44 CO 0.02 2.46 0.66 0.86 0.00 0.00 0.00 173.10 177.09 2fvt s TRP 45 N 3.73 3.80 -1.91 1.90 -0.00 -0.84 -4.84 118.94 120.77 2fvt s TRP 45 Ca 0.53 1.39 0.13 0.00 -0.00 0.00 0.00 56.10 58.15 2fvt s TRP 45 Cb -0.18 -2.59 0.39 0.00 -0.00 0.00 0.00 33.47 31.09 2fvt s TRP 45 CO 0.16 0.51 1.32 -3.47 -0.00 0.00 0.00 176.95 175.47 2fvt n ASP 46 N 1.45 2.43 -4.59 5.86 2.03 -1.26 -4.10 116.55 118.37 2fvt n ASP 46 Ca -0.07 -2.03 -0.41 0.00 0.52 0.00 0.00 54.79 52.80 2fvt n ASP 46 Cb 0.50 -0.31 -0.07 0.00 -0.72 0.00 0.00 41.12 40.52 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 -1.45 4.98 -1.35 5.18 1.01 -1.26 -4.88 120.40 122.62 2fvt s VAL 47 Ca 0.29 0.69 0.13 0.00 0.00 0.00 0.00 61.98 63.10 2fvt s VAL 47 Cb 0.16 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.60 2fvt s VAL 47 CO 0.19 -0.13 0.80 0.41 0.00 0.00 0.00 175.10 176.37 2fvt n THR 48 N 5.38 0.00 -4.25 3.92 -1.04 -1.26 -3.90 114.28 113.13 2fvt n THR 48 Ca -0.03 -0.40 -0.27 0.00 -2.04 0.00 0.00 64.05 61.32 2fvt n THR 48 Cb 0.49 1.19 -0.17 0.00 -1.82 0.00 0.00 70.33 70.02 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 -1.53 1.78 0.30 -2.82 1.02 -1.26 -4.97 119.74 112.26 2fvt s LYS 49 Ca 0.12 -0.39 0.03 0.00 0.02 0.00 0.00 55.97 55.75 2fvt s LYS 49 Cb 0.11 -1.62 0.62 0.00 -0.52 0.00 0.00 37.83 36.41 2fvt s LYS 49 CO 0.29 -0.13 1.84 -1.35 -0.92 0.00 0.00 175.35 175.09 2fvt h PRO 50 N 7.61 0.90 -0.15 -1.68 0.11 -1.92 0.00 132.00 136.87 2fvt h PRO 50 Ca -0.31 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2fvt h PRO 50 Cb 1.16 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2fvt h PRO 50 CO 0.46 0.59 0.00 -1.91 -0.21 0.00 0.00 178.00 176.93 2fvt n GLU 51 N -4.62 1.36 0.00 1.05 4.07 -1.26 -3.18 120.64 118.06 2fvt n GLU 51 Ca 0.19 -0.56 0.12 0.00 -0.06 0.00 0.00 57.16 56.85 2fvt n GLU 51 Cb 0.39 -1.14 0.23 0.00 -0.06 0.00 0.00 31.44 30.86 2fvt n GLU 51 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 2fvt n GLN 52 N -0.06 0.13 -1.96 5.31 7.27 -0.01 -4.84 117.38 123.20 2fvt n GLN 52 Ca 0.06 -0.08 -0.41 0.00 0.07 0.00 0.00 57.00 56.64 2fvt n GLN 52 Cb 0.14 -1.50 -0.03 0.00 2.41 0.00 0.00 30.24 31.26 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 -2.93 3.38 0.00 1.69 1.01 -1.19 -4.72 121.20 118.44 2fvt s ILE 53 Ca 0.13 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.11 2fvt s ILE 53 Cb 0.18 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.97 2fvt s ILE 53 CO 0.69 -0.54 0.00 -0.90 0.00 0.00 0.00 174.94 174.19 2fvt n ASP 54 N 11.65 0.96 -0.24 3.58 5.75 -1.26 -4.98 116.55 132.01 2fvt n ASP 54 Ca 0.23 -0.88 -0.04 0.00 -0.01 0.00 0.00 54.79 54.10 2fvt n ASP 54 Cb 0.49 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.65 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 0.82 0.03 0.11 9.65 -1.96 -1.23 114.38 121.80 2fvt h ARG 55 Ca 0.00 -0.05 -0.23 0.00 -1.10 0.00 0.00 59.98 58.60 2fvt h ARG 55 Cb 0.00 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.37 2fvt h ARG 55 CO 0.00 0.55 -1.09 -0.92 2.80 0.00 0.00 179.97 181.31 2fvt h TYR 56 N 0.85 0.10 -0.64 2.20 3.20 -1.96 -3.11 116.97 117.61 2fvt h TYR 56 Ca 0.27 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 2fvt h TYR 56 Cb 0.01 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 2fvt h TYR 56 CO -0.04 1.06 0.36 1.03 -1.64 0.00 0.00 178.16 178.93 2fvt h SER 57 N 0.02 0.78 -0.53 -2.11 0.87 -1.76 -1.65 113.55 109.17 2fvt h SER 57 Ca -0.05 -0.05 -0.17 0.00 -1.23 0.00 0.00 61.79 60.29 2fvt h SER 57 Cb 1.82 -0.20 -0.10 0.00 -0.44 0.00 0.00 62.40 63.49 2fvt h SER 57 CO 0.14 0.62 0.22 0.18 -0.53 0.00 0.00 176.83 177.46 2fvt n LEU 58 N -4.39 4.87 -0.25 2.23 4.77 -0.50 -4.45 117.00 119.28 2fvt n LEU 58 Ca 0.06 -2.53 0.04 0.00 -0.03 0.00 0.00 56.01 53.56 2fvt n LEU 58 Cb 0.09 -0.68 0.18 0.00 -2.33 0.00 0.00 43.42 40.68 2fvt n LEU 58 CO 0.37 0.68 1.02 -0.61 -1.33 0.00 0.00 177.39 177.53 2fvt h GLN 59 N 1.74 0.46 0.00 3.23 4.15 -1.25 0.14 115.11 123.57 2fvt h GLN 59 Ca 0.21 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 2fvt h GLN 59 Cb 1.88 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 29.46 2fvt h GLN 59 CO 0.54 0.30 -0.09 0.00 -1.93 0.00 0.00 178.83 177.65 2fvt h ARG 60 N 0.47 0.00 0.07 1.69 3.08 -1.83 -0.14 114.38 117.72 2fvt h ARG 60 Ca 0.40 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.34 2fvt h ARG 60 Cb 0.58 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.64 2fvt h ARG 60 CO -0.38 0.09 -0.52 0.28 -1.07 0.00 0.00 179.97 178.37 2fvt h VAL 61 N 0.00 1.58 -0.24 2.04 2.07 -1.17 -2.97 116.25 117.57 2fvt h VAL 61 Ca -0.00 -2.43 -0.08 0.00 0.82 0.00 0.00 66.70 65.01 2fvt h VAL 61 Cb 0.72 3.22 -0.01 0.00 -1.52 0.00 0.00 31.29 33.70 2fvt h VAL 61 CO 0.01 0.65 -0.20 -0.26 0.02 0.00 0.00 177.57 177.79 2fvt h PHE 62 N -0.67 0.47 0.28 1.57 0.04 -0.80 -0.58 116.94 117.24 2fvt h PHE 62 Ca -0.10 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.59 2fvt h PHE 62 Cb 1.36 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 39.37 2fvt h PHE 62 CO 0.22 0.60 -0.27 0.22 -0.60 0.00 0.00 178.31 178.49 2fvt h ASP 63 N 0.39 -0.71 -0.62 2.17 1.82 -1.10 -3.14 116.42 115.23 2fvt h ASP 63 Ca 0.06 0.06 -0.33 0.00 -0.39 0.00 0.00 57.03 56.44 2fvt h ASP 63 Cb 0.57 0.24 -0.19 0.00 0.68 0.00 0.00 39.33 40.63 2fvt h ASP 63 CO 0.04 -0.39 0.21 0.59 -1.61 0.00 0.00 179.24 178.08 2fvt n ASN 64 N -5.39 3.04 0.18 2.28 3.02 -1.12 -4.64 115.26 112.63 2fvt n ASN 64 Ca -0.09 -3.73 0.10 0.00 -0.03 0.00 0.00 54.58 50.83 2fvt n ASN 64 Cb 0.30 -0.72 0.62 0.00 -0.61 0.00 0.00 39.78 39.36 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 1.02 2.05 0.00 5.41 0.00 -1.05 -0.24 119.26 126.45 2fvt h ALA 65 Ca 0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 2fvt h ALA 65 Cb 2.14 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.91 2fvt h ALA 65 CO 0.69 -0.08 -0.05 -2.95 0.00 0.00 0.00 179.25 176.87 2fvt h ASN 66 N 0.08 0.00 -0.03 0.00 7.08 -1.85 -1.01 115.58 119.86 2fvt h ASN 66 Ca 0.07 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.29 2fvt h ASN 66 Cb 0.17 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.41 2fvt h ASN 66 CO -0.01 0.05 -0.02 0.00 -2.08 0.00 0.00 177.43 175.37 2fvt n ALA 67 N -2.23 2.51 -2.74 4.14 0.00 -0.11 -4.92 120.51 117.17 2fvt n ALA 67 Ca -0.02 -0.65 -0.34 0.00 0.00 0.00 0.00 53.44 52.43 2fvt n ALA 67 Cb 0.16 -0.87 -0.11 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.02 3.96 0.05 0.00 1.01 -0.38 -4.68 121.20 119.14 2fvt s ILE 68 Ca 0.29 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.55 2fvt s ILE 68 Cb 0.20 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 2fvt s ILE 68 CO 0.31 0.56 -0.05 -0.67 0.00 0.00 0.00 174.94 175.10 2fvt n ASP 69 N 2.65 1.05 -4.56 3.58 -0.08 -0.54 -4.66 116.55 113.99 2fvt n ASP 69 Ca -0.18 0.14 -0.35 0.00 -1.51 0.00 0.00 54.79 52.89 2fvt n ASP 69 Cb 0.53 -0.35 -0.11 0.00 2.34 0.00 0.00 41.12 43.53 2fvt n ASP 69 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2fvt s THR 70 N -1.96 4.55 -0.35 5.18 2.01 -0.34 -0.47 115.64 124.27 2fvt s THR 70 Ca -0.04 -0.11 -0.04 0.00 0.31 0.00 0.00 61.69 61.81 2fvt s THR 70 Cb 0.01 -3.07 0.06 0.00 0.01 0.00 0.00 72.50 69.51 2fvt s THR 70 CO 0.06 0.42 0.10 -0.22 -0.69 0.00 0.00 174.62 174.29 2fvt s LEU 71 N 0.77 4.43 -0.38 4.42 2.96 0.72 -0.56 118.68 131.04 2fvt s LEU 71 Ca 0.03 -1.44 -0.18 0.00 -0.22 0.00 0.00 54.13 52.32 2fvt s LEU 71 Cb -0.14 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.76 2fvt s LEU 71 CO 0.02 -0.37 0.51 -0.63 -1.32 0.00 0.00 176.35 174.56 2fvt s ILE 72 N 1.28 5.01 -0.28 6.68 1.01 0.53 -1.60 121.20 133.83 2fvt s ILE 72 Ca -0.00 0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.73 2fvt s ILE 72 Cb -0.21 -4.01 -0.00 0.00 0.01 0.00 0.00 42.46 38.25 2fvt s ILE 72 CO -0.01 -0.31 0.07 -0.69 0.00 0.00 0.00 174.94 174.01 2fvt s VAL 73 N 2.39 4.05 -0.43 2.92 1.01 -0.56 -0.15 120.40 129.63 2fvt s VAL 73 Ca 0.18 -0.53 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 2fvt s VAL 73 Cb -0.16 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.23 2fvt s VAL 73 CO 0.14 0.17 0.51 -0.83 0.00 0.00 0.00 175.10 175.09 2fvt s GLY 74 N 1.54 1.83 -0.03 4.51 0.00 0.36 -0.77 107.32 114.76 2fvt s GLY 74 Ca 0.04 -1.44 0.09 0.00 0.00 0.00 0.00 44.72 43.41 2fvt s GLY 74 CO 0.03 1.30 1.18 -1.30 0.00 0.00 0.00 173.10 174.30 2fvt n THR 75 N 5.58 0.68 -1.04 0.90 -2.24 0.31 -0.71 114.28 117.75 2fvt n THR 75 Ca -0.05 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 2fvt n THR 75 Cb 0.47 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 0.79 0.89 0.10 3.38 0.00 -1.20 -4.40 105.19 104.74 2fvt n GLY 76 Ca 0.11 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.57 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 0.06 -2.43 4.61 0.00 -1.90 -2.38 119.26 117.22 2fvt h ALA 77 Ca 0.00 -0.42 -0.52 0.00 0.00 0.00 0.00 54.91 53.97 2fvt h ALA 77 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2fvt h ALA 77 CO 0.00 0.05 -0.35 0.16 0.00 0.00 0.00 179.25 179.11 2fvt s ASP 78 N -6.22 6.36 -0.43 0.00 -4.77 -1.26 -4.91 116.67 105.43 2fvt s ASP 78 Ca -0.16 0.32 -0.24 0.00 -3.30 0.00 0.00 52.55 49.18 2fvt s ASP 78 Cb 0.02 -1.97 0.02 0.00 -1.09 0.00 0.00 42.92 39.89 2fvt s ASP 78 CO 0.74 -0.07 0.81 -0.69 0.70 0.00 0.00 175.17 176.66 2fvt s VAL 79 N -1.93 4.63 -0.20 2.11 1.01 -1.26 -4.62 120.40 120.14 2fvt s VAL 79 Ca 0.37 0.60 -0.21 0.00 0.00 0.00 0.00 61.98 62.74 2fvt s VAL 79 Cb -0.10 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 2fvt s VAL 79 CO 0.30 -0.67 0.65 0.86 0.00 0.00 0.00 175.10 176.23 2fvt s TRP 80 N 3.34 3.37 -0.33 5.22 -0.00 -1.26 -5.04 118.94 124.24 2fvt s TRP 80 Ca 0.32 0.95 -0.18 0.00 -0.00 0.00 0.00 56.10 57.18 2fvt s TRP 80 Cb -0.12 -2.82 -0.01 0.00 -0.00 0.00 0.00 33.47 30.52 2fvt s TRP 80 CO 0.22 -0.19 0.52 -1.50 -0.00 0.00 0.00 176.95 176.00 2fvt s ILE 81 N 1.97 5.02 0.27 5.86 2.07 -1.26 -4.78 121.20 130.35 2fvt s ILE 81 Ca 0.29 0.47 -0.31 0.00 -1.41 0.00 0.00 60.65 59.70 2fvt s ILE 81 Cb -0.16 -3.94 -0.12 0.00 0.13 0.00 0.00 42.46 38.38 2fvt s ILE 81 CO 0.10 -0.15 1.63 0.00 -1.91 0.00 0.00 174.94 174.61 2fvt n ALA 82 N 5.72 2.63 -1.62 1.50 0.00 -1.26 -4.91 120.51 122.57 2fvt n ALA 82 Ca -0.04 0.38 -0.46 0.00 0.00 0.00 0.00 53.44 53.32 2fvt n ALA 82 Cb 0.49 -2.48 -0.03 0.00 0.00 0.00 0.00 19.45 17.43 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 2.66 1.53 -0.13 0.00 -0.02 -1.26 -4.69 135.00 133.10 2fvt n PRO 83 Ca 0.11 0.54 0.04 0.00 -2.02 0.00 0.00 63.50 62.17 2fvt n PRO 83 Cb 0.36 -2.05 0.35 0.00 -0.02 0.00 0.00 33.50 32.13 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 3.15 0.74 -0.88 -0.52 2.43 -1.98 0.24 114.38 117.56 2fvt h ARG 84 Ca -0.43 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.69 2fvt h ARG 84 Cb 1.32 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.66 2fvt h ARG 84 CO 0.68 0.49 0.52 1.96 -1.51 0.00 0.00 179.97 182.11 2fvt h GLN 85 N 0.77 1.21 -0.18 0.20 4.20 -1.99 0.21 115.11 119.52 2fvt h GLN 85 Ca 0.25 -0.12 -0.16 0.00 0.06 0.00 0.00 58.65 58.68 2fvt h GLN 85 Cb 0.04 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.57 2fvt h GLN 85 CO -0.06 0.86 -0.51 1.25 -0.67 0.00 0.00 178.83 179.69 2fvt h LEU 86 N 1.22 0.76 -0.04 1.46 5.85 -1.39 -2.30 115.31 120.87 2fvt h LEU 86 Ca 0.32 -0.58 0.02 0.00 0.84 0.00 0.00 57.88 58.47 2fvt h LEU 86 Cb -0.03 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 2fvt h LEU 86 CO -0.06 1.21 -0.09 -0.09 -0.34 0.00 0.00 178.44 179.08 2fvt h ARG 87 N 0.34 -0.13 -0.02 1.25 2.43 -0.10 -1.27 114.38 116.89 2fvt h ARG 87 Ca -0.01 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 2fvt h ARG 87 Cb 1.13 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 2fvt h ARG 87 CO 0.11 -0.08 -0.32 0.93 -1.51 0.00 0.00 179.97 179.09 2fvt h GLU 88 N -0.13 0.03 -0.23 0.20 4.39 -0.66 0.23 114.58 118.41 2fvt h GLU 88 Ca 0.05 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 2fvt h GLU 88 Cb 0.19 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2fvt h GLU 88 CO -0.11 0.35 0.05 0.00 -1.16 0.00 0.00 179.01 178.14 2fvt h ALA 89 N 1.65 0.31 -0.28 3.43 0.00 -0.92 -0.98 119.26 122.47 2fvt h ALA 89 Ca 0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 2fvt h ALA 89 Cb 0.59 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2fvt h ALA 89 CO 0.04 -0.03 -0.38 -0.07 0.00 0.00 0.00 179.25 178.82 2fvt h LEU 90 N 0.19 0.82 -1.83 0.00 3.38 -0.84 -3.00 115.31 114.02 2fvt h LEU 90 Ca 0.07 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 2fvt h LEU 90 Cb 0.30 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2fvt h LEU 90 CO 0.00 1.16 -0.13 -0.09 0.09 0.00 0.00 178.44 179.47 2fvt h ARG 91 N 0.50 0.00 -0.00 1.13 2.43 -0.47 -0.07 114.38 117.89 2fvt h ARG 91 Ca 0.03 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.04 2fvt h ARG 91 Cb 0.97 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 2fvt h ARG 91 CO 0.09 0.13 -0.76 0.78 -1.51 0.00 0.00 179.97 178.70 2fvt h GLY 92 N 0.53 0.06 -3.59 2.80 0.00 -1.07 -3.19 103.07 98.61 2fvt h GLY 92 Ca -0.00 -0.09 -0.40 0.00 0.00 0.00 0.00 47.33 46.83 2fvt h GLY 92 CO 0.02 0.08 0.51 3.33 0.00 0.00 0.00 176.54 180.48 2fvt n VAL 93 N -3.66 2.76 -0.94 4.60 0.24 -0.58 -4.86 118.33 115.89 2fvt n VAL 93 Ca -0.01 -1.53 0.00 0.00 -2.04 0.00 0.00 64.34 60.76 2fvt n VAL 93 Cb 0.73 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 2fvt n VAL 93 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2fvt n ASN 94 N -0.78 -0.23 -4.53 -1.34 5.15 -1.16 -4.84 115.26 107.54 2fvt n ASN 94 Ca 0.47 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 54.02 2fvt n ASN 94 Cb 1.43 -0.35 -0.05 0.00 -0.53 0.00 0.00 39.78 40.29 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 -3.51 4.51 -0.87 3.44 1.01 -0.14 -4.59 120.40 120.25 2fvt s VAL 95 Ca 0.00 0.32 -0.25 0.00 0.00 0.00 0.00 61.98 62.05 2fvt s VAL 95 Cb 0.00 -4.45 0.02 0.00 0.00 0.00 0.00 36.38 31.95 2fvt s VAL 95 CO 0.00 -0.95 1.56 -0.69 0.00 0.00 0.00 175.10 175.02 2fvt s VAL 96 N 3.64 3.70 -0.23 2.92 1.01 0.38 -3.05 120.40 128.77 2fvt s VAL 96 Ca 0.30 -0.25 -0.26 0.00 0.00 0.00 0.00 61.98 61.77 2fvt s VAL 96 Cb -0.13 -4.67 -0.00 0.00 0.00 0.00 0.00 36.38 31.58 2fvt s VAL 96 CO 0.20 -1.59 0.91 -0.22 0.00 0.00 0.00 175.10 174.40 2fvt s LEU 97 N 6.72 4.10 -0.09 3.92 2.96 -1.26 -0.20 118.68 134.82 2fvt s LEU 97 Ca 0.51 1.17 0.01 0.00 -0.22 0.00 0.00 54.13 55.60 2fvt s LEU 97 Cb -0.05 -3.32 0.02 0.00 0.50 0.00 0.00 46.19 43.34 2fvt s LEU 97 CO 0.02 -0.56 -0.09 -0.62 -1.32 0.00 0.00 176.35 173.78 2fvt s ASP 98 N 1.27 1.87 -0.21 3.68 -1.08 -0.63 -4.99 116.67 116.59 2fvt s ASP 98 Ca 0.39 -0.28 -0.08 0.00 -0.52 0.00 0.00 52.55 52.06 2fvt s ASP 98 Cb -0.15 -0.79 -0.04 0.00 -1.46 0.00 0.00 42.92 40.48 2fvt s ASP 98 CO 0.07 -0.05 0.08 0.42 0.52 0.00 0.00 175.17 176.21 2fvt s THR 99 N 1.20 4.73 0.31 1.71 -4.23 -1.26 -1.50 115.64 116.60 2fvt s THR 99 Ca -0.05 -0.04 -0.04 0.00 -1.18 0.00 0.00 61.69 60.37 2fvt s THR 99 Cb -0.14 -3.17 -0.00 0.00 1.34 0.00 0.00 72.50 70.53 2fvt s THR 99 CO -0.02 0.40 0.44 0.00 -0.54 0.00 0.00 174.62 174.90 2fvt s MET 100 N 0.88 1.77 0.73 3.99 0.23 0.05 -4.97 119.30 121.98 2fvt s MET 100 Ca 0.04 -1.65 -0.11 0.00 -1.03 0.00 0.00 55.69 52.95 2fvt s MET 100 Cb -0.14 0.43 0.03 0.00 -1.53 0.00 0.00 34.83 33.63 2fvt s MET 100 CO 0.03 -0.72 1.07 -0.65 -2.03 0.00 0.00 175.02 172.72 2fvt s GLN 101 N -3.35 2.62 0.42 3.16 -0.21 -1.26 -0.53 119.66 120.50 2fvt s GLN 101 Ca 0.30 1.06 0.11 0.00 0.02 0.00 0.00 55.36 56.85 2fvt s GLN 101 Cb 0.00 -1.95 0.90 0.00 1.00 0.00 0.00 33.01 32.97 2fvt s GLN 101 CO 0.17 -1.35 1.98 1.79 -2.12 0.00 0.00 175.29 175.76 2fvt h THR 102 N -0.89 1.14 0.20 -0.19 1.35 -1.70 -1.78 112.91 111.03 2fvt h THR 102 Ca -0.44 -0.58 -0.01 0.00 -0.55 0.00 0.00 66.41 64.83 2fvt h THR 102 Cb 1.22 1.14 -0.00 0.00 -1.73 0.00 0.00 68.15 68.77 2fvt h THR 102 CO 0.54 0.18 -0.15 1.23 -0.25 0.00 0.00 175.52 177.07 2fvt h GLY 103 N 0.58 -0.73 1.61 5.82 0.00 -1.92 -0.35 103.07 108.08 2fvt h GLY 103 Ca 0.04 0.31 0.05 0.00 0.00 0.00 0.00 47.33 47.74 2fvt h GLY 103 CO 0.01 -0.25 0.14 -2.55 0.00 0.00 0.00 176.54 173.90 2fvt h PRO 104 N -0.33 0.00 -0.13 4.80 0.11 -1.95 -2.50 132.00 132.00 2fvt h PRO 104 Ca -0.03 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 2fvt h PRO 104 Cb 0.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 2fvt h PRO 104 CO 0.01 0.00 0.06 0.00 -0.21 0.00 0.00 178.00 177.85 2fvt h ALA 105 N 1.89 0.17 -0.74 -0.75 0.00 -1.04 0.19 119.26 118.99 2fvt h ALA 105 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2fvt h ALA 105 Cb 0.37 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2fvt h ALA 105 CO -0.00 -0.25 0.47 0.82 0.00 0.00 0.00 179.25 180.29 2fvt h ILE 106 N 0.06 1.20 0.38 0.00 2.04 -0.63 0.12 117.51 120.68 2fvt h ILE 106 Ca 0.04 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 2fvt h ILE 106 Cb 0.16 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 2fvt h ILE 106 CO -0.00 0.20 -0.32 0.03 0.00 0.00 0.00 178.15 178.05 2fvt h ARG 107 N 1.00 -0.68 -0.60 2.37 2.47 -1.25 -1.82 114.38 115.88 2fvt h ARG 107 Ca 0.27 0.05 -0.06 0.00 -1.26 0.00 0.00 59.98 58.98 2fvt h ARG 107 Cb -0.08 0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 2fvt h ARG 107 CO -0.05 -0.45 0.15 1.15 0.56 0.00 0.00 179.97 181.32 2fvt h THR 108 N -0.70 1.25 -0.20 2.04 2.02 -0.72 -2.62 112.91 113.97 2fvt h THR 108 Ca -0.03 -0.90 -0.00 0.00 0.77 0.00 0.00 66.41 66.24 2fvt h THR 108 Cb 0.62 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2fvt h THR 108 CO -0.03 0.34 0.12 0.22 0.37 0.00 0.00 175.52 176.54 2fvt h TYR 109 N 0.88 0.27 -0.73 3.16 3.20 -0.70 0.29 116.97 123.35 2fvt h TYR 109 Ca 0.19 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2fvt h TYR 109 Cb 0.35 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 2fvt h TYR 109 CO 0.03 0.22 0.46 -0.97 -1.64 0.00 0.00 178.16 176.26 2fvt h ASN 110 N 0.24 0.85 -0.07 -2.11 -0.73 -1.22 -1.06 115.58 111.47 2fvt h ASN 110 Ca 0.07 -0.03 -0.15 0.00 1.87 0.00 0.00 56.30 58.06 2fvt h ASN 110 Cb 0.03 -0.21 0.01 0.00 0.27 0.00 0.00 38.32 38.42 2fvt h ASN 110 CO -0.01 0.63 -0.56 0.40 -0.37 0.00 0.00 177.43 177.52 2fvt h ILE 111 N 0.99 1.38 -0.61 2.57 2.04 -1.09 -3.09 117.51 119.70 2fvt h ILE 111 Ca 0.26 -1.92 -0.01 0.00 1.00 0.00 0.00 64.86 64.20 2fvt h ILE 111 Cb -0.08 2.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 2fvt h ILE 111 CO -0.05 0.57 0.34 0.24 0.00 0.00 0.00 178.15 179.25 2fvt h MET 112 N 0.08 0.85 0.00 2.37 2.86 0.03 0.13 114.93 121.24 2fvt h MET 112 Ca -0.05 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.44 2fvt h MET 112 Cb 1.22 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 2fvt h MET 112 CO 0.11 0.64 -0.27 0.97 1.06 0.00 0.00 176.91 179.43 2fvt h ILE 113 N 0.83 0.80 0.00 -1.22 6.09 -1.31 -2.36 117.51 120.34 2fvt h ILE 113 Ca 0.22 -1.10 -0.04 0.00 -1.37 0.00 0.00 64.86 62.57 2fvt h ILE 113 Cb 0.04 1.67 -0.01 0.00 0.47 0.00 0.00 36.82 38.99 2fvt h ILE 113 CO -0.04 0.26 -0.69 1.23 -3.07 0.00 0.00 178.15 175.85 2fvt h GLY 114 N 1.51 0.00 0.79 8.18 0.00 -1.27 -3.22 103.07 109.05 2fvt h GLY 114 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2fvt h GLY 114 CO 0.03 0.00 -0.12 -2.21 0.00 0.00 0.00 176.54 174.25 2fvt n GLU 115 N -2.92 0.75 -2.85 4.80 2.13 0.37 -4.96 120.64 117.96 2fvt n GLU 115 Ca -0.00 -0.28 -0.04 0.00 0.66 0.00 0.00 57.16 57.50 2fvt n GLU 115 Cb 0.62 -1.49 0.02 0.00 0.27 0.00 0.00 31.44 30.85 2fvt n GLU 115 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2fvt n ARG 116 N -0.88 -1.37 -4.47 5.31 0.00 -1.02 -5.06 116.66 109.17 2fvt n ARG 116 Ca 0.15 1.12 -0.23 0.00 -0.00 0.00 0.00 57.85 58.89 2fvt n ARG 116 Cb 0.28 -5.07 -0.10 0.00 0.00 0.00 0.00 32.46 27.57 2fvt n ARG 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2fvt s ARG 117 N -3.40 1.71 -1.08 -0.14 0.52 -1.19 -5.07 118.95 110.29 2fvt s ARG 117 Ca 0.13 -1.96 -0.19 0.00 -0.52 0.00 0.00 55.73 53.19 2fvt s ARG 117 Cb -0.02 -0.91 0.10 0.00 0.52 0.00 0.00 34.95 34.65 2fvt s ARG 117 CO 0.62 -0.21 1.41 1.03 0.02 0.00 0.00 175.30 178.17 2fvt s ARG 118 N -3.87 3.76 -0.04 3.54 0.52 -1.26 -4.86 118.95 116.75 2fvt s ARG 118 Ca 0.35 -1.75 0.07 0.00 -0.52 0.00 0.00 55.73 53.88 2fvt s ARG 118 Cb 0.08 -5.21 -0.01 0.00 0.52 0.00 0.00 34.95 30.33 2fvt s ARG 118 CO 0.15 -2.01 -0.25 0.54 0.02 0.00 0.00 175.30 173.75 2fvt s VAL 119 N 3.53 2.05 0.01 3.52 0.11 -1.26 -1.20 120.40 127.16 2fvt s VAL 119 Ca 0.43 -1.08 0.08 0.00 -2.93 0.00 0.00 61.98 58.47 2fvt s VAL 119 Cb -0.01 -1.72 -0.02 0.00 -1.53 0.00 0.00 36.38 33.09 2fvt s VAL 119 CO -0.04 0.57 -0.23 0.00 -3.33 0.00 0.00 175.10 172.06 2fvt s ALA 120 N -0.33 1.98 -0.15 1.54 0.00 0.28 -3.22 121.76 121.85 2fvt s ALA 120 Ca 0.01 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.89 2fvt s ALA 120 Cb -0.12 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.57 2fvt s ALA 120 CO 0.02 0.47 -0.11 0.00 0.00 0.00 0.00 175.76 176.14 2fvt s ALA 121 N -0.67 1.76 -0.61 0.00 0.00 0.18 -0.34 121.76 122.07 2fvt s ALA 121 Ca 0.09 -0.89 -0.12 0.00 0.00 0.00 0.00 51.96 51.04 2fvt s ALA 121 Cb -0.09 -1.08 0.16 0.00 0.00 0.00 0.00 23.12 22.10 2fvt s ALA 121 CO 0.01 -0.51 0.52 0.00 0.00 0.00 0.00 175.76 175.77 2fvt s ALA 122 N 1.52 3.68 -0.30 0.00 0.00 0.79 0.24 121.76 127.69 2fvt s ALA 122 Ca 0.03 -2.85 -0.10 0.00 0.00 0.00 0.00 51.96 49.04 2fvt s ALA 122 Cb -0.14 -3.12 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 2fvt s ALA 122 CO -0.10 -2.07 0.16 -0.51 0.00 0.00 0.00 175.76 173.24 2fvt s LEU 123 N 0.91 4.06 -0.21 0.00 1.43 -0.39 -0.49 118.68 123.99 2fvt s LEU 123 Ca 0.10 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 52.69 2fvt s LEU 123 Cb -0.22 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 43.94 2fvt s LEU 123 CO -0.02 -0.16 0.11 -0.63 0.23 0.00 0.00 176.35 175.87 2fvt s ILE 124 N 1.64 5.08 0.76 -0.59 1.01 0.11 -0.61 121.20 128.60 2fvt s ILE 124 Ca 0.05 0.08 -0.11 0.00 0.00 0.00 0.00 60.65 60.67 2fvt s ILE 124 Cb -0.17 -3.33 0.05 0.00 0.01 0.00 0.00 42.46 39.03 2fvt s ILE 124 CO 0.07 0.42 1.08 0.00 0.00 0.00 0.00 174.94 176.51 2fvt s ALA 125 N 0.62 2.39 0.15 9.38 0.00 0.12 -3.21 121.76 131.20 2fvt s ALA 125 Ca 0.06 -0.10 -0.31 0.00 0.00 0.00 0.00 51.96 51.61 2fvt s ALA 125 Cb -0.12 -3.13 -0.10 0.00 0.00 0.00 0.00 23.12 19.77 2fvt s ALA 125 CO 0.01 -1.56 1.55 0.14 0.00 0.00 0.00 175.76 175.90 2fvt s VAL 126 N -3.11 2.77 -0.68 0.00 -7.23 -1.26 -4.77 120.40 106.11 2fvt s VAL 126 Ca 0.60 0.52 -0.26 0.00 -1.81 0.00 0.00 61.98 61.03 2fvt s VAL 126 Cb -0.14 -3.33 -0.05 0.00 0.56 0.00 0.00 36.38 33.41 2fvt s VAL 126 CO 0.55 0.03 2.09 -2.84 -0.31 0.00 0.00 175.10 174.62 2fvt s PRO 127 N 1.32 2.34 0.74 4.82 0.02 -1.26 -4.92 135.00 138.06 2fvt s PRO 127 Ca 0.70 0.56 -0.12 0.00 0.02 0.00 0.00 61.00 62.16 2fvt s PRO 127 Cb -0.42 -4.65 0.04 0.00 0.02 0.00 0.00 34.50 29.48 2fvt s PRO 127 CO 0.31 -3.26 1.12 -0.51 -0.33 0.00 0.00 177.00 174.33 2fvt s LEU 128 N 10.86 2.76 0.00 -5.54 1.43 -1.26 -5.04 118.68 121.89 2fvt s LEU 128 Ca 0.78 1.02 0.00 0.00 -1.03 0.00 0.00 54.13 54.90 2fvt s LEU 128 Cb -0.12 -3.71 0.00 0.00 0.03 0.00 0.00 46.19 42.38 2fvt s LEU 128 CO 0.15 -1.54 0.51 -0.62 0.23 0.00 0.00 176.35 175.08 2fvt n GLU 129 N -3.12 0.00 -3.23 1.70 1.02 -1.26 -5.07 120.64 110.68 2fvt n GLU 129 Ca 0.07 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 2fvt n GLU 129 Cb 0.58 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 2fvt n GLU 129 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2fvt n HIS 130 N -1.17 0.00 -1.86 -0.32 1.44 -1.26 -5.08 115.22 106.97 2fvt n HIS 130 Ca 0.00 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.28 2fvt n HIS 130 Cb 0.00 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 2fvt n HIS 130 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2fvt s HIS 131 N -2.99 1.58 0.34 -1.40 3.76 -1.26 -4.83 115.29 110.49 2fvt s HIS 131 Ca 0.00 0.64 0.23 0.00 -0.15 0.00 0.00 55.06 55.78 2fvt s HIS 131 Cb 0.00 -4.04 1.14 0.00 1.11 0.00 0.00 32.58 30.79 2fvt s HIS 131 CO 0.00 -3.26 1.95 1.25 -0.85 0.00 0.00 174.74 173.83 2fvt h HIS 132 N 13.87 0.00 -0.89 1.40 2.76 -2.04 -3.32 115.15 126.92 2fvt h HIS 132 Ca -0.35 0.00 -0.60 0.00 -2.20 0.00 0.00 60.37 57.22 2fvt h HIS 132 Cb 1.19 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 30.07 2fvt h HIS 132 CO 0.96 0.21 1.78 -1.58 -1.30 0.00 0.00 177.93 178.00 2fvt s HIS 133 N -4.07 2.56 -0.30 5.26 2.46 -1.26 -4.78 115.29 115.16 2fvt s HIS 133 Ca -0.02 -1.04 -0.04 0.00 0.47 0.00 0.00 55.06 54.43 2fvt s HIS 133 Cb 0.13 -4.62 0.19 0.00 -0.13 0.00 0.00 32.58 28.14 2fvt s HIS 133 CO 0.63 -1.79 0.83 -1.58 -2.47 0.00 0.00 174.74 170.37 2fvt s HIS 134 N 5.48 -1.11 -2.51 3.88 5.04 -1.25 -5.23 115.29 119.58 2fvt s HIS 134 Ca 0.54 0.75 0.20 0.00 -1.54 0.00 0.00 55.06 55.01 2fvt s HIS 134 Cb 0.02 0.23 0.16 0.00 0.04 0.00 0.00 32.58 33.02 2fvt s HIS 134 CO 0.02 -0.64 1.14 -2.39 -2.34 0.00 0.00 174.74 170.53