#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 2.90 -1.10 3.17 0.00 -1.26 -5.05 121.76 120.42 2fvt s ALA 2 Ca 0.00 -1.28 -0.22 0.00 0.00 0.00 0.00 51.96 50.46 2fvt s ALA 2 Cb 0.00 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.88 2fvt s ALA 2 CO 0.00 -0.33 1.67 -0.65 0.00 0.00 0.00 175.76 176.45 2fvt s GLN 3 N -3.73 3.40 -0.04 0.00 1.11 -1.26 -4.85 119.66 114.30 2fvt s GLN 3 Ca 0.24 -1.24 -0.29 0.00 0.01 0.00 0.00 55.36 54.09 2fvt s GLN 3 Cb 0.03 -5.35 0.10 0.00 -1.01 0.00 0.00 33.01 26.78 2fvt s GLN 3 CO 0.14 -2.63 0.84 0.50 0.01 0.00 0.00 175.29 174.16 2fvt s ARG 4 N 5.28 0.86 -1.28 2.91 3.52 -1.26 -5.06 118.95 123.92 2fvt s ARG 4 Ca 0.55 -0.09 -0.15 0.00 -0.13 0.00 0.00 55.73 55.90 2fvt s ARG 4 Cb -0.00 0.40 0.11 0.00 -1.56 0.00 0.00 34.95 33.90 2fvt s ARG 4 CO -0.01 -0.33 1.68 0.45 -0.81 0.00 0.00 175.30 176.29 2fvt n SER 5 N 0.23 4.96 0.00 -2.12 2.88 -1.26 -4.84 113.62 113.47 2fvt n SER 5 Ca -0.12 -2.95 0.00 0.00 -1.33 0.00 0.00 58.87 54.47 2fvt n SER 5 Cb 0.60 -1.66 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 2fvt n SER 5 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2fvt n GLU 6 N 6.84 0.00 -3.82 -1.46 1.02 -1.26 -4.77 120.64 117.19 2fvt n GLU 6 Ca 0.44 0.31 -0.30 0.00 -0.02 0.00 0.00 57.16 57.59 2fvt n GLU 6 Cb 0.43 -0.91 -0.14 0.00 -0.02 0.00 0.00 31.44 30.81 2fvt n GLU 6 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2fvt s ILE 7 N -0.94 1.64 -1.15 -3.67 -4.36 -1.26 -5.04 121.20 106.42 2fvt s ILE 7 Ca 0.00 -2.33 -0.21 0.00 -0.26 0.00 0.00 60.65 57.86 2fvt s ILE 7 Cb 0.00 -2.18 -0.06 0.00 1.25 0.00 0.00 42.46 41.47 2fvt s ILE 7 CO 0.00 -0.76 1.91 -2.65 0.24 0.00 0.00 174.94 173.68 2fvt n PRO 8 N 3.97 2.02 -4.38 0.37 -0.02 -1.26 -4.91 135.00 130.80 2fvt n PRO 8 Ca 0.04 -2.54 -0.24 0.00 -2.02 0.00 0.00 63.50 58.74 2fvt n PRO 8 Cb 0.38 -3.50 -0.09 0.00 -0.02 0.00 0.00 33.50 30.27 2fvt n PRO 8 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2fvt s HIS 9 N 7.88 2.48 -0.72 6.00 3.76 -1.26 -5.09 115.29 128.35 2fvt s HIS 9 Ca 0.62 -0.28 -0.16 0.00 -0.15 0.00 0.00 55.06 55.09 2fvt s HIS 9 Cb 0.04 -1.11 0.17 0.00 1.11 0.00 0.00 32.58 32.80 2fvt s HIS 9 CO 0.11 0.65 0.71 -0.06 -0.85 0.00 0.00 174.74 175.29 2fvt s PHE 10 N -2.31 3.46 -0.77 1.40 0.08 -1.26 -5.02 117.98 113.55 2fvt s PHE 10 Ca 0.29 -1.60 -0.26 0.00 0.12 0.00 0.00 56.93 55.48 2fvt s PHE 10 Cb -0.06 -3.87 0.02 0.00 -0.57 0.00 0.00 43.02 38.53 2fvt s PHE 10 CO 0.17 -1.08 1.48 -2.14 -0.10 0.00 0.00 175.22 173.55 2fvt s PRO 11 N 1.12 3.10 -1.34 0.24 0.02 -1.26 -2.98 135.00 133.90 2fvt s PRO 11 Ca 0.14 -0.22 -0.05 0.00 0.02 0.00 0.00 61.00 60.89 2fvt s PRO 11 Cb -0.18 -4.49 0.03 0.00 0.02 0.00 0.00 34.50 29.88 2fvt s PRO 11 CO -0.03 -2.37 0.36 0.54 -0.33 0.00 0.00 177.00 175.17 2fvt n ARG 12 N 9.22 -3.38 -3.15 5.54 1.74 -0.15 -4.91 116.66 121.57 2fvt n ARG 12 Ca 0.14 0.67 -0.41 0.00 -0.77 0.00 0.00 57.85 57.49 2fvt n ARG 12 Cb 0.50 -5.40 -0.07 0.00 -1.02 0.00 0.00 32.46 26.47 2fvt n ARG 12 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2fvt s THR 13 N -2.93 4.97 -0.33 0.55 -1.32 -1.26 -4.91 115.64 110.42 2fvt s THR 13 Ca 0.24 0.86 0.09 0.00 -1.21 0.00 0.00 61.69 61.67 2fvt s THR 13 Cb -0.12 -3.96 0.65 0.00 -1.51 0.00 0.00 72.50 67.57 2fvt s THR 13 CO 0.29 -0.08 1.71 0.00 -2.21 0.00 0.00 174.62 174.34 2fvt n ALA 14 N 5.78 4.57 -2.88 11.08 0.00 -1.26 -4.86 120.51 132.94 2fvt n ALA 14 Ca -0.02 -2.65 -0.44 0.00 0.00 0.00 0.00 53.44 50.34 2fvt n ALA 14 Cb 0.49 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 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 -3.10 3.28 -0.30 0.00 0.00 -1.26 -4.94 121.76 115.44 2fvt s ALA 15 Ca 0.52 -1.84 -0.05 0.00 0.00 0.00 0.00 51.96 50.59 2fvt s ALA 15 Cb 0.43 -3.61 0.03 0.00 0.00 0.00 0.00 23.12 19.97 2fvt s ALA 15 CO 0.09 -2.39 0.05 0.42 0.00 0.00 0.00 175.76 173.93 2fvt s ILE 16 N 3.27 3.51 -0.08 0.00 1.01 -1.26 -1.98 121.20 125.67 2fvt s ILE 16 Ca 0.18 -1.02 -0.23 0.00 0.00 0.00 0.00 60.65 59.58 2fvt s ILE 16 Cb -0.19 -2.90 -0.29 0.00 0.01 0.00 0.00 42.46 39.09 2fvt s ILE 16 CO 0.11 -0.01 0.80 -0.78 0.00 0.00 0.00 174.94 175.06 2fvt h ASP 17 N 8.14 0.33 -3.36 3.58 3.58 -1.25 -3.47 116.42 123.99 2fvt h ASP 17 Ca -0.27 -0.94 -0.25 0.00 0.42 0.00 0.00 57.03 55.99 2fvt h ASP 17 Cb 1.10 -0.11 -0.33 0.00 1.72 0.00 0.00 39.33 41.71 2fvt h ASP 17 CO 0.58 1.33 -0.61 0.00 -2.88 0.00 0.00 179.24 177.67 2fvt s ALA 18 N -2.38 -0.24 -0.19 -0.78 0.00 -0.76 -5.01 121.76 112.39 2fvt s ALA 18 Ca -0.16 0.66 -0.04 0.00 0.00 0.00 0.00 51.96 52.42 2fvt s ALA 18 Cb 0.01 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 2fvt s ALA 18 CO 0.78 -0.24 -0.04 1.52 0.00 0.00 0.00 175.76 177.77 2fvt s TYR 19 N 1.41 2.96 0.00 0.00 1.13 -1.26 0.11 117.35 121.71 2fvt s TYR 19 Ca -0.07 -0.69 0.00 0.00 -1.41 0.00 0.00 57.07 54.91 2fvt s TYR 19 Cb -0.12 -2.04 0.00 0.00 -1.10 0.00 0.00 41.96 38.70 2fvt s TYR 19 CO -0.06 -0.35 0.00 0.41 -2.51 0.00 0.00 175.55 173.04 2fvt n GLY 20 N 4.29 0.33 1.74 5.49 0.00 0.02 -5.03 105.19 112.04 2fvt n GLY 20 Ca -0.18 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.40 2fvt n GLY 20 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2fvt n LYS 21 N 0.93 -3.17 -1.02 1.61 4.81 -1.26 -4.62 118.16 115.44 2fvt n LYS 21 Ca 0.00 2.49 -0.01 0.00 -0.87 0.00 0.00 58.31 59.92 2fvt n LYS 21 Cb 0.00 -2.95 -0.00 0.00 0.02 0.00 0.00 35.03 32.10 2fvt n LYS 21 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2fvt n GLY 22 N 1.11 0.43 5.75 3.14 0.00 -1.26 -4.64 105.19 109.72 2fvt n GLY 22 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.09 1.70 2.86 -0.02 0.00 -1.26 -4.03 105.19 102.34 2fvt n GLY 23 Ca -0.01 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 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 1.18 -0.51 1.61 0.08 -0.91 -0.79 117.98 118.63 2fvt s PHE 24 Ca 0.00 -0.53 -0.15 0.00 0.12 0.00 0.00 56.93 56.37 2fvt s PHE 24 Cb 0.00 -1.07 0.11 0.00 -0.57 0.00 0.00 43.02 41.49 2fvt s PHE 24 CO 0.00 -0.44 0.45 -0.47 -0.10 0.00 0.00 175.22 174.66 2fvt s TYR 25 N 1.81 3.27 0.54 0.36 6.14 0.12 -0.49 117.35 129.10 2fvt s TYR 25 Ca 0.05 -1.27 0.08 0.00 0.64 0.00 0.00 57.07 56.57 2fvt s TYR 25 Cb -0.12 -3.60 0.06 0.00 0.42 0.00 0.00 41.96 38.71 2fvt s TYR 25 CO -0.07 -0.96 0.66 -0.59 0.64 0.00 0.00 175.55 175.22 2fvt s PHE 26 N 1.58 1.67 -0.72 4.97 -0.12 -1.20 -0.75 117.98 123.42 2fvt s PHE 26 Ca 0.03 -0.71 -0.26 0.00 -0.05 0.00 0.00 56.93 55.95 2fvt s PHE 26 Cb -0.28 -2.16 -0.10 0.00 -0.63 0.00 0.00 43.02 39.85 2fvt s PHE 26 CO 0.03 -0.87 2.32 0.00 -0.05 0.00 0.00 175.22 176.66 2fvt s ALA 27 N -2.65 1.13 0.00 1.99 0.00 -0.84 -3.47 121.76 117.92 2fvt s ALA 27 Ca 0.54 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.82 2fvt s ALA 27 Cb -0.05 -4.50 0.00 0.00 0.00 0.00 0.00 23.12 18.57 2fvt s ALA 27 CO 0.34 -5.31 0.00 0.41 0.00 0.00 0.00 175.76 171.20 2fvt n GLY 28 N 6.55 0.52 3.42 0.00 0.00 -1.26 -5.08 105.19 109.34 2fvt n GLY 28 Ca 0.42 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 46.31 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 1.33 -0.20 1.61 0.23 -1.23 -5.14 119.30 115.91 2fvt s MET 29 Ca 0.00 -1.28 -0.22 0.00 -1.03 0.00 0.00 55.69 53.16 2fvt s MET 29 Cb 0.00 0.40 -0.02 0.00 -1.53 0.00 0.00 34.83 33.68 2fvt s MET 29 CO 0.00 -0.51 0.69 -1.12 -2.03 0.00 0.00 175.02 172.04 2fvt s SER 30 N -3.02 6.75 -0.28 -1.18 0.01 -1.26 -3.22 113.70 111.50 2fvt s SER 30 Ca 0.23 0.92 0.01 0.00 1.31 0.00 0.00 55.95 58.42 2fvt s SER 30 Cb 0.02 -2.38 0.08 0.00 0.21 0.00 0.00 66.02 63.95 2fvt s SER 30 CO 0.06 -0.32 -0.01 -2.28 0.41 0.00 0.00 173.24 171.10 2fvt s HIS 31 N 2.04 2.68 0.36 2.43 5.04 0.36 -4.90 115.29 123.30 2fvt s HIS 31 Ca 0.31 -2.10 -0.15 0.00 -1.54 0.00 0.00 55.06 51.57 2fvt s HIS 31 Cb -0.16 -1.96 -0.09 0.00 0.04 0.00 0.00 32.58 30.41 2fvt s HIS 31 CO 0.11 -0.84 0.78 1.14 -2.34 0.00 0.00 174.74 173.59 2fvt s GLN 32 N 1.29 4.00 0.00 2.88 -2.07 -1.26 -2.15 119.66 122.36 2fvt s GLN 32 Ca 0.01 0.72 0.00 0.00 -1.82 0.00 0.00 55.36 54.27 2fvt s GLN 32 Cb -0.19 -2.37 0.00 0.00 -1.09 0.00 0.00 33.01 29.36 2fvt s GLN 32 CO -0.10 0.08 0.00 0.41 -1.32 0.00 0.00 175.29 174.36 2fvt n GLY 33 N -0.59 1.42 3.36 2.60 0.00 -1.26 -4.96 105.19 105.75 2fvt n GLY 33 Ca 0.04 -0.84 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.45 -0.03 1.61 0.15 -1.25 -1.11 113.70 108.63 2fvt s SER 34 Ca 0.00 0.73 0.03 0.00 0.70 0.00 0.00 55.95 57.41 2fvt s SER 34 Cb 0.00 0.77 -0.00 0.00 -1.71 0.00 0.00 66.02 65.07 2fvt s SER 34 CO 0.00 -0.29 -0.12 -0.76 1.20 0.00 0.00 173.24 173.28 2fvt s LEU 35 N -0.30 1.87 -0.41 3.45 1.43 -0.26 -1.45 118.68 123.01 2fvt s LEU 35 Ca -0.05 -0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 52.78 2fvt s LEU 35 Cb -0.03 -0.67 0.10 0.00 0.03 0.00 0.00 46.19 45.62 2fvt s LEU 35 CO 0.03 0.11 0.21 -0.22 0.23 0.00 0.00 176.35 176.70 2fvt s LEU 36 N 0.04 5.17 -0.53 1.79 0.20 0.11 -0.49 118.68 124.97 2fvt s LEU 36 Ca -0.01 -1.87 -0.26 0.00 0.69 0.00 0.00 54.13 52.67 2fvt s LEU 36 Cb -0.08 -1.86 0.03 0.00 -0.43 0.00 0.00 46.19 43.85 2fvt s LEU 36 CO 0.01 -0.54 1.05 -0.36 -0.29 0.00 0.00 176.35 176.22 2fvt s PHE 37 N 1.22 2.75 0.17 5.38 0.40 0.76 -1.08 117.98 127.58 2fvt s PHE 37 Ca 0.06 0.31 0.04 0.00 -0.60 0.00 0.00 56.93 56.74 2fvt s PHE 37 Cb -0.23 -4.26 -0.04 0.00 0.51 0.00 0.00 43.02 39.01 2fvt s PHE 37 CO -0.03 -1.38 0.20 -0.51 0.70 0.00 0.00 175.22 174.21 2fvt s LEU 38 N 4.33 4.03 0.62 -0.37 1.43 -0.80 -1.17 118.68 126.74 2fvt s LEU 38 Ca 0.38 -0.01 0.31 0.00 -1.03 0.00 0.00 54.13 53.78 2fvt s LEU 38 Cb -0.10 -2.61 1.76 0.00 0.03 0.00 0.00 46.19 45.27 2fvt s LEU 38 CO 0.24 0.05 2.10 -0.65 0.23 0.00 0.00 176.35 178.32 2fvt h PRO 39 N 2.21 0.00 0.00 1.29 0.11 -1.90 -2.94 132.00 130.77 2fvt h PRO 39 Ca -0.48 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 2fvt h PRO 39 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2fvt h PRO 39 CO 0.65 0.00 -1.01 -0.25 -0.21 0.00 0.00 178.00 177.18 2fvt n ASP 40 N -3.52 1.84 -3.73 -2.05 8.00 -1.26 -4.45 116.55 111.39 2fvt n ASP 40 Ca 0.01 0.50 -0.10 0.00 0.71 0.00 0.00 54.79 55.91 2fvt n ASP 40 Cb 0.32 -0.92 -0.06 0.00 -0.02 0.00 0.00 41.12 40.44 2fvt n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fvt s ALA 41 N -2.51 -0.65 -0.38 2.24 0.00 -1.11 -0.98 121.76 118.36 2fvt s ALA 41 Ca -0.24 -0.22 -0.21 0.00 0.00 0.00 0.00 51.96 51.29 2fvt s ALA 41 Cb 0.05 0.55 0.01 0.00 0.00 0.00 0.00 23.12 23.73 2fvt s ALA 41 CO 0.44 -0.56 0.66 0.08 0.00 0.00 0.00 175.76 176.38 2fvt s VAL 42 N -3.59 4.85 0.26 0.00 1.01 -1.16 -1.90 120.40 119.88 2fvt s VAL 42 Ca 0.02 0.52 0.07 0.00 0.00 0.00 0.00 61.98 62.60 2fvt s VAL 42 Cb 0.02 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2fvt s VAL 42 CO -0.10 -0.39 0.20 0.26 0.00 0.00 0.00 175.10 175.06 2fvt s TRP 43 N 2.79 3.07 -0.05 5.22 0.52 -0.24 -4.71 118.94 125.54 2fvt s TRP 43 Ca 0.25 -0.14 -0.21 0.00 0.02 0.00 0.00 56.10 56.02 2fvt s TRP 43 Cb -0.14 -1.43 -0.04 0.00 -1.15 0.00 0.00 33.47 30.70 2fvt s TRP 43 CO 0.16 0.49 0.61 0.20 0.02 0.00 0.00 176.95 178.44 2fvt s GLY 44 N -3.85 2.57 -0.16 0.98 0.00 -1.26 0.06 107.32 105.65 2fvt s GLY 44 Ca 0.34 0.03 -0.07 0.00 0.00 0.00 0.00 44.72 45.01 2fvt s GLY 44 CO 0.25 0.92 0.07 0.86 0.00 0.00 0.00 173.10 175.20 2fvt s TRP 45 N 0.34 3.31 -1.22 1.90 -0.00 -0.53 -4.77 118.94 117.97 2fvt s TRP 45 Ca 0.32 0.18 -0.05 0.00 -0.00 0.00 0.00 56.10 56.55 2fvt s TRP 45 Cb -0.17 -2.03 0.20 0.00 -0.00 0.00 0.00 33.47 31.46 2fvt s TRP 45 CO 0.16 0.29 2.06 -3.47 -0.00 0.00 0.00 176.95 175.98 2fvt n ASP 46 N 3.16 7.14 -3.89 5.86 2.03 -1.26 -3.94 116.55 125.64 2fvt n ASP 46 Ca -0.17 -3.30 -0.15 0.00 0.52 0.00 0.00 54.79 51.69 2fvt n ASP 46 Cb 0.53 -1.33 -0.15 0.00 -0.72 0.00 0.00 41.12 39.45 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 -1.79 0.22 -0.16 5.18 1.01 -1.26 -5.06 120.40 118.54 2fvt s VAL 47 Ca 0.45 -0.07 -0.10 0.00 0.00 0.00 0.00 61.98 62.27 2fvt s VAL 47 Cb 0.15 -0.22 -0.23 0.00 0.00 0.00 0.00 36.38 36.08 2fvt s VAL 47 CO -0.06 0.09 0.25 0.41 0.00 0.00 0.00 175.10 175.79 2fvt n THR 48 N 3.33 1.69 -4.09 3.92 -1.04 -1.26 -4.27 114.28 112.57 2fvt n THR 48 Ca -0.17 -0.49 -0.07 0.00 -2.04 0.00 0.00 64.05 61.27 2fvt n THR 48 Cb 0.56 -1.78 -0.10 0.00 -1.82 0.00 0.00 70.33 67.19 2fvt n THR 48 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2fvt s LYS 49 N -2.51 0.60 0.56 -2.82 -2.85 -1.26 -4.62 119.74 106.85 2fvt s LYS 49 Ca -0.26 -1.18 0.25 0.00 -1.00 0.00 0.00 55.97 53.78 2fvt s LYS 49 Cb 0.07 0.19 1.57 0.00 -2.06 0.00 0.00 37.83 37.60 2fvt s LYS 49 CO 0.70 -0.10 2.15 -1.35 0.10 0.00 0.00 175.35 176.85 2fvt h PRO 50 N 3.24 0.00 0.00 1.78 0.11 -1.94 -0.34 132.00 134.85 2fvt h PRO 50 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2fvt h PRO 50 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2fvt h PRO 50 CO 0.64 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.82 2fvt n GLU 51 N -4.09 0.48 -0.29 1.05 1.02 -1.26 -2.54 120.64 115.02 2fvt n GLU 51 Ca -0.00 0.04 0.11 0.00 -0.02 0.00 0.00 57.16 57.28 2fvt n GLU 51 Cb 0.22 -1.50 0.28 0.00 -0.02 0.00 0.00 31.44 30.41 2fvt n GLU 51 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2fvt n GLN 52 N -1.21 2.48 -2.51 3.49 7.27 -0.14 -4.90 117.38 121.86 2fvt n GLN 52 Ca 0.14 -2.28 -0.43 0.00 0.07 0.00 0.00 57.00 54.50 2fvt n GLN 52 Cb 0.17 -1.51 -0.02 0.00 2.41 0.00 0.00 30.24 31.29 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 -1.25 4.34 0.26 1.69 1.01 -1.05 -4.83 121.20 121.37 2fvt s ILE 53 Ca 0.42 1.56 -0.03 0.00 0.00 0.00 0.00 60.65 62.60 2fvt s ILE 53 Cb 0.23 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 2fvt s ILE 53 CO 0.30 -0.37 0.31 -0.62 0.00 0.00 0.00 174.94 174.56 2fvt s ASP 54 N 2.09 0.47 0.35 3.58 2.15 -1.26 -5.02 116.67 119.02 2fvt s ASP 54 Ca 0.51 -1.35 0.07 0.00 0.43 0.00 0.00 52.55 52.21 2fvt s ASP 54 Cb -0.16 0.52 0.75 0.00 -0.30 0.00 0.00 42.92 43.73 2fvt s ASP 54 CO 0.17 -1.05 1.91 0.03 -0.17 0.00 0.00 175.17 176.06 2fvt h ARG 55 N 2.35 0.74 -0.07 4.34 3.08 -1.94 0.22 114.38 123.10 2fvt h ARG 55 Ca -0.30 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.55 2fvt h ARG 55 Cb 1.25 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 2fvt h ARG 55 CO 0.43 0.49 -0.62 1.88 -1.07 0.00 0.00 179.97 181.08 2fvt h TYR 56 N 0.76 0.34 0.00 3.04 0.05 -1.96 -1.92 116.97 117.28 2fvt h TYR 56 Ca 0.39 -0.13 -0.09 0.00 0.05 0.00 0.00 58.73 58.95 2fvt h TYR 56 Cb 0.49 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 2fvt h TYR 56 CO -0.00 0.81 -0.85 0.66 -1.05 0.00 0.00 178.16 177.73 2fvt h SER 57 N 0.20 0.00 -0.40 3.88 4.64 -1.66 -3.21 113.55 117.00 2fvt h SER 57 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2fvt h SER 57 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2fvt h SER 57 CO 0.10 0.34 0.00 0.18 -0.87 0.00 0.00 176.83 176.58 2fvt n LEU 58 N -2.97 2.81 -0.28 5.97 4.77 0.71 -4.38 117.00 123.63 2fvt n LEU 58 Ca -0.02 -1.42 0.07 0.00 -0.03 0.00 0.00 56.01 54.61 2fvt n LEU 58 Cb 0.70 -0.40 0.29 0.00 -2.33 0.00 0.00 43.42 41.68 2fvt n LEU 58 CO 0.40 0.54 1.24 -0.61 -1.33 0.00 0.00 177.39 177.63 2fvt h GLN 59 N 2.45 0.88 -0.02 3.23 4.15 -1.35 0.22 115.11 124.66 2fvt h GLN 59 Ca 0.00 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.30 2fvt h GLN 59 Cb 0.85 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 2fvt h GLN 59 CO 0.10 0.58 -0.32 0.00 -1.93 0.00 0.00 178.83 177.26 2fvt h ARG 60 N 0.91 0.04 -0.14 1.69 3.08 -1.86 -0.64 114.38 117.45 2fvt h ARG 60 Ca 0.40 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 60.32 2fvt h ARG 60 Cb 0.36 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2fvt h ARG 60 CO -0.17 0.36 -0.39 0.28 -1.07 0.00 0.00 179.97 178.98 2fvt h VAL 61 N 0.04 1.36 -0.06 2.04 2.07 -0.93 0.10 116.25 120.87 2fvt h VAL 61 Ca 0.00 -1.68 -0.13 0.00 0.82 0.00 0.00 66.70 65.72 2fvt h VAL 61 Cb 0.58 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 2fvt h VAL 61 CO 0.04 0.51 -0.53 -0.26 0.02 0.00 0.00 177.57 177.35 2fvt h PHE 62 N 0.13 0.20 0.05 1.57 0.04 -1.08 -2.28 116.94 115.57 2fvt h PHE 62 Ca -0.01 -0.07 -0.10 0.00 2.80 0.00 0.00 57.97 60.59 2fvt h PHE 62 Cb 1.01 -0.04 0.01 0.00 2.20 0.00 0.00 35.95 39.13 2fvt h PHE 62 CO 0.10 0.66 -0.42 0.22 -0.60 0.00 0.00 178.31 178.28 2fvt h ASP 63 N 0.13 0.29 -0.64 2.17 3.58 -1.08 -3.30 116.42 117.58 2fvt h ASP 63 Ca 0.00 -0.88 -0.26 0.00 0.42 0.00 0.00 57.03 56.31 2fvt h ASP 63 Cb 0.98 -0.09 -0.15 0.00 1.72 0.00 0.00 39.33 41.79 2fvt h ASP 63 CO 0.08 1.14 0.33 -3.20 -2.88 0.00 0.00 179.24 174.71 2fvt n ASN 64 N -4.37 3.88 0.31 2.28 5.15 0.36 -4.51 115.26 118.35 2fvt n ASN 64 Ca -0.11 -3.03 0.19 0.00 -0.60 0.00 0.00 54.58 51.03 2fvt n ASN 64 Cb 0.62 -0.71 0.99 0.00 -0.53 0.00 0.00 39.78 40.15 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 1.99 1.12 0.00 5.20 0.00 -1.49 -2.24 119.26 123.85 2fvt h ALA 65 Ca 0.32 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 2fvt h ALA 65 Cb 2.13 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.91 2fvt h ALA 65 CO 0.67 0.03 -0.34 -0.91 0.00 0.00 0.00 179.25 178.70 2fvt h ASN 66 N 0.00 0.00 0.19 0.00 2.35 -1.87 -2.86 115.58 113.38 2fvt h ASN 66 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2fvt h ASN 66 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2fvt h ASN 66 CO 0.00 0.34 -0.50 0.00 -1.65 0.00 0.00 177.43 175.63 2fvt n ALA 67 N -2.31 3.60 -4.08 -0.83 0.00 -0.84 -4.81 120.51 111.24 2fvt n ALA 67 Ca -0.01 -0.49 -0.32 0.00 0.00 0.00 0.00 53.44 52.63 2fvt n ALA 67 Cb 0.47 -0.98 -0.16 0.00 0.00 0.00 0.00 19.45 18.78 2fvt n ALA 67 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2fvt s ILE 68 N -2.69 2.03 -0.21 0.00 -4.36 -1.08 -4.41 121.20 110.48 2fvt s ILE 68 Ca 0.17 -1.24 -0.20 0.00 -0.26 0.00 0.00 60.65 59.12 2fvt s ILE 68 Cb 0.18 -2.01 -0.17 0.00 1.25 0.00 0.00 42.46 41.71 2fvt s ILE 68 CO 0.63 0.24 0.12 -0.67 0.24 0.00 0.00 174.94 175.50 2fvt n ASP 69 N 4.55 1.87 -4.33 4.36 2.03 0.13 -4.60 116.55 120.56 2fvt n ASP 69 Ca -0.17 0.42 -0.33 0.00 0.52 0.00 0.00 54.79 55.23 2fvt n ASP 69 Cb 0.46 -0.94 -0.15 0.00 -0.72 0.00 0.00 41.12 39.77 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 -2.38 2.97 -0.27 5.18 2.01 -0.97 -0.77 115.64 121.42 2fvt s THR 70 Ca -0.29 -0.67 -0.03 0.00 0.31 0.00 0.00 61.69 61.01 2fvt s THR 70 Cb 0.07 -2.27 0.02 0.00 0.01 0.00 0.00 72.50 70.33 2fvt s THR 70 CO 0.56 0.51 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.76 2fvt s LEU 71 N 0.67 3.47 -0.20 4.42 1.98 0.11 -1.88 118.68 127.25 2fvt s LEU 71 Ca -0.06 -0.88 -0.08 0.00 -2.89 0.00 0.00 54.13 50.22 2fvt s LEU 71 Cb -0.15 -1.73 -0.04 0.00 0.66 0.00 0.00 46.19 44.92 2fvt s LEU 71 CO 0.02 -0.16 0.08 -0.63 -1.89 0.00 0.00 176.35 173.77 2fvt s ILE 72 N 1.36 4.93 -0.19 6.68 1.01 0.10 -0.33 121.20 134.76 2fvt s ILE 72 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 60.65 60.64 2fvt s ILE 72 Cb -0.17 -3.24 -0.01 0.00 0.01 0.00 0.00 42.46 39.05 2fvt s ILE 72 CO -0.02 0.44 -0.06 -0.69 0.00 0.00 0.00 174.94 174.61 2fvt s VAL 73 N 0.51 3.42 -0.73 2.92 1.01 0.03 -0.22 120.40 127.34 2fvt s VAL 73 Ca 0.04 -0.50 -0.18 0.00 0.00 0.00 0.00 61.98 61.35 2fvt s VAL 73 Cb -0.12 -2.52 0.13 0.00 0.00 0.00 0.00 36.38 33.87 2fvt s VAL 73 CO 0.00 0.46 0.85 -0.83 0.00 0.00 0.00 175.10 175.58 2fvt s GLY 74 N 1.00 1.97 -0.37 4.51 0.00 0.54 -1.01 107.32 113.95 2fvt s GLY 74 Ca 0.00 -2.57 -0.06 0.00 0.00 0.00 0.00 44.72 42.09 2fvt s GLY 74 CO 0.00 1.66 3.27 -1.30 0.00 0.00 0.00 173.10 176.74 2fvt n THR 75 N 5.24 3.35 0.00 0.90 -2.24 -0.77 -2.35 114.28 118.42 2fvt n THR 75 Ca 0.04 -2.15 0.00 0.00 -2.27 0.00 0.00 64.05 59.68 2fvt n THR 75 Cb 0.45 -1.98 0.00 0.00 -2.10 0.00 0.00 70.33 66.71 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 2.18 1.01 0.92 3.38 0.00 -1.25 -3.41 105.19 108.02 2fvt n GLY 76 Ca 0.50 -0.58 0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 10.16 2.94 -2.87 4.61 0.00 -1.26 -0.50 120.51 133.59 2fvt n ALA 77 Ca 0.00 -2.13 -0.10 0.00 0.00 0.00 0.00 53.44 51.21 2fvt n ALA 77 Cb 0.00 -0.71 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 2fvt n ALA 77 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2fvt s ASP 78 N -1.74 -0.07 -0.69 0.00 2.15 -1.22 -4.98 116.67 110.12 2fvt s ASP 78 Ca 0.41 -0.60 -0.18 0.00 0.43 0.00 0.00 52.55 52.60 2fvt s ASP 78 Cb 0.32 0.45 0.13 0.00 -0.30 0.00 0.00 42.92 43.52 2fvt s ASP 78 CO 0.10 -0.88 0.80 -0.69 -0.17 0.00 0.00 175.17 174.33 2fvt s VAL 79 N -3.88 4.92 -0.20 1.11 1.01 -1.26 -4.37 120.40 117.73 2fvt s VAL 79 Ca 0.09 -1.33 -0.29 0.00 0.00 0.00 0.00 61.98 60.46 2fvt s VAL 79 Cb 0.02 -4.55 0.00 0.00 0.00 0.00 0.00 36.38 31.86 2fvt s VAL 79 CO -0.06 -1.19 1.02 0.86 0.00 0.00 0.00 175.10 175.73 2fvt s TRP 80 N 2.31 3.38 -0.20 5.22 -0.00 -1.26 -5.01 118.94 123.38 2fvt s TRP 80 Ca 0.17 1.48 -0.22 0.00 -0.00 0.00 0.00 56.10 57.53 2fvt s TRP 80 Cb -0.18 -3.24 -0.02 0.00 -0.00 0.00 0.00 33.47 30.03 2fvt s TRP 80 CO 0.01 -0.41 0.71 -1.50 -0.00 0.00 0.00 176.95 175.76 2fvt s ILE 81 N 2.87 4.96 0.31 5.86 1.10 -1.26 -4.91 121.20 130.13 2fvt s ILE 81 Ca 0.45 1.34 -0.29 0.00 -0.51 0.00 0.00 60.65 61.64 2fvt s ILE 81 Cb -0.16 -4.01 -0.10 0.00 0.15 0.00 0.00 42.46 38.34 2fvt s ILE 81 CO 0.09 0.06 1.16 0.00 -2.11 0.00 0.00 174.94 174.13 2fvt s ALA 82 N 2.16 3.39 0.52 1.50 0.00 -1.26 -4.99 121.76 123.07 2fvt s ALA 82 Ca 0.32 0.99 -0.22 0.00 0.00 0.00 0.00 51.96 53.05 2fvt s ALA 82 Cb -0.16 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.53 2fvt s ALA 82 CO 0.10 -0.33 1.17 -2.30 0.00 0.00 0.00 175.76 174.41 2fvt n PRO 83 N 0.90 1.45 -0.23 0.00 -0.02 -1.26 -4.73 135.00 131.11 2fvt n PRO 83 Ca 0.00 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2fvt n PRO 83 Cb 0.44 -2.34 0.22 0.00 -0.02 0.00 0.00 33.50 31.81 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 1.29 1.03 -0.92 -0.52 2.47 -1.98 0.27 114.38 116.02 2fvt h ARG 84 Ca -0.49 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.16 2fvt h ARG 84 Cb 1.33 -0.23 -0.04 0.00 -1.65 0.00 0.00 29.97 29.37 2fvt h ARG 84 CO 0.56 0.69 0.56 1.96 0.56 0.00 0.00 179.97 184.30 2fvt h GLN 85 N 1.06 1.24 -0.05 0.04 7.50 -1.98 0.15 115.11 123.07 2fvt h GLN 85 Ca 0.28 -0.10 -0.23 0.00 0.50 0.00 0.00 58.65 59.10 2fvt h GLN 85 Cb -0.10 -0.26 0.01 0.00 0.05 0.00 0.00 27.48 27.17 2fvt h GLN 85 CO -0.06 0.85 -0.89 1.25 -1.50 0.00 0.00 178.83 178.49 2fvt h LEU 86 N 1.26 0.69 -0.06 1.46 5.85 -1.65 -1.55 115.31 121.30 2fvt h LEU 86 Ca 0.33 -0.51 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 2fvt h LEU 86 Cb -0.07 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.75 2fvt h LEU 86 CO -0.06 1.30 -0.02 -0.09 -0.34 0.00 0.00 178.44 179.23 2fvt h ARG 87 N 0.34 0.12 0.00 1.25 2.43 -0.55 -2.58 114.38 115.39 2fvt h ARG 87 Ca -0.08 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2fvt h ARG 87 Cb 1.52 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.06 2fvt h ARG 87 CO 0.16 0.48 0.00 0.93 -1.51 0.00 0.00 179.97 180.03 2fvt h GLU 88 N -0.23 0.00 -0.31 0.20 3.07 -0.80 -1.94 114.58 114.57 2fvt h GLU 88 Ca 0.01 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.83 2fvt h GLU 88 Cb 0.43 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 2fvt h GLU 88 CO 0.01 0.00 0.04 0.00 -1.40 0.00 0.00 179.01 177.66 2fvt h ALA 89 N 2.06 0.42 -0.38 3.43 0.00 -1.01 0.10 119.26 123.87 2fvt h ALA 89 Ca 0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 2fvt h ALA 89 Cb 0.56 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2fvt h ALA 89 CO 0.00 0.13 -0.15 -0.07 0.00 0.00 0.00 179.25 179.16 2fvt h LEU 90 N 0.35 0.69 -1.56 0.00 3.38 -1.12 -2.14 115.31 114.91 2fvt h LEU 90 Ca 0.09 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2fvt h LEU 90 Cb 0.37 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2fvt h LEU 90 CO 0.01 0.86 -0.01 -0.09 0.09 0.00 0.00 178.44 179.30 2fvt h ARG 91 N 0.63 0.00 -0.58 1.13 9.65 -1.13 -2.23 114.38 121.85 2fvt h ARG 91 Ca 0.10 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 59.01 2fvt h ARG 91 Cb 0.61 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.16 2fvt h ARG 91 CO 0.04 0.01 0.38 0.78 2.80 0.00 0.00 179.97 183.98 2fvt h GLY 92 N 1.89 0.79 0.00 2.80 0.00 -0.09 -3.37 103.07 105.09 2fvt h GLY 92 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2fvt h GLY 92 CO 0.00 0.26 0.00 3.33 0.00 0.00 0.00 176.54 180.13 2fvt n VAL 93 N -4.46 0.00 -2.00 4.60 0.24 -1.14 -5.00 118.33 110.58 2fvt n VAL 93 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 2fvt n VAL 93 Cb 0.10 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.11 2fvt n VAL 93 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2fvt n ASN 94 N -0.49 0.00 -4.54 -1.34 6.94 -1.23 -5.11 115.26 109.49 2fvt n ASN 94 Ca 0.00 -1.00 -0.41 0.00 -0.02 0.00 0.00 54.58 53.15 2fvt n ASN 94 Cb 0.00 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.34 2fvt n ASN 94 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2fvt s VAL 95 N 0.00 5.07 -0.46 3.53 1.01 -0.85 -4.66 120.40 124.03 2fvt s VAL 95 Ca 0.00 0.13 -0.23 0.00 0.00 0.00 0.00 61.98 61.88 2fvt s VAL 95 Cb 0.00 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.47 2fvt s VAL 95 CO 0.00 -0.23 0.81 -0.69 0.00 0.00 0.00 175.10 174.99 2fvt s VAL 96 N 2.26 4.61 -0.09 2.92 1.01 0.05 -3.15 120.40 128.01 2fvt s VAL 96 Ca 0.16 0.45 -0.23 0.00 0.00 0.00 0.00 61.98 62.35 2fvt s VAL 96 Cb -0.16 -4.35 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 2fvt s VAL 96 CO 0.13 -0.76 0.69 -0.22 0.00 0.00 0.00 175.10 174.94 2fvt s LEU 97 N 3.38 4.28 -0.11 3.92 2.96 -1.26 0.04 118.68 131.90 2fvt s LEU 97 Ca 0.31 1.13 -0.00 0.00 -0.22 0.00 0.00 54.13 55.34 2fvt s LEU 97 Cb -0.12 -3.05 0.02 0.00 0.50 0.00 0.00 46.19 43.54 2fvt s LEU 97 CO 0.23 -0.15 -0.09 -0.62 -1.32 0.00 0.00 176.35 174.40 2fvt s ASP 98 N 0.86 2.20 -0.17 3.68 2.15 0.55 -4.94 116.67 121.00 2fvt s ASP 98 Ca 0.36 -0.32 -0.06 0.00 0.43 0.00 0.00 52.55 52.96 2fvt s ASP 98 Cb -0.17 -0.87 -0.04 0.00 -0.30 0.00 0.00 42.92 41.54 2fvt s ASP 98 CO 0.16 -0.10 0.03 -0.89 -0.17 0.00 0.00 175.17 174.21 2fvt s THR 99 N 1.60 4.53 0.15 1.71 2.01 -1.26 -0.79 115.64 123.58 2fvt s THR 99 Ca 0.03 -0.13 -0.12 0.00 0.31 0.00 0.00 61.69 61.79 2fvt s THR 99 Cb -0.13 -3.02 0.01 0.00 0.01 0.00 0.00 72.50 69.37 2fvt s THR 99 CO -0.08 0.48 0.33 -0.32 -0.69 0.00 0.00 174.62 174.35 2fvt s MET 100 N 0.28 1.12 0.64 4.92 1.75 -0.18 -4.94 119.30 122.89 2fvt s MET 100 Ca 0.02 -0.99 -0.17 0.00 -1.25 0.00 0.00 55.69 53.30 2fvt s MET 100 Cb -0.13 0.41 -0.01 0.00 2.84 0.00 0.00 34.83 37.95 2fvt s MET 100 CO 0.01 -0.42 1.17 -0.65 -0.65 0.00 0.00 175.02 174.48 2fvt s GLN 101 N -3.90 2.75 0.19 4.11 -0.21 -1.26 -1.84 119.66 119.49 2fvt s GLN 101 Ca 0.11 1.67 -0.14 0.00 0.02 0.00 0.00 55.36 57.01 2fvt s GLN 101 Cb 0.03 -1.92 0.19 0.00 1.00 0.00 0.00 33.01 32.31 2fvt s GLN 101 CO -0.05 -1.35 1.65 1.79 -2.12 0.00 0.00 175.29 175.22 2fvt h THR 102 N 0.38 0.50 0.05 -0.19 1.35 -1.05 0.14 112.91 114.08 2fvt h THR 102 Ca -0.49 -0.01 -0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2fvt h THR 102 Cb 1.28 0.46 -0.00 0.00 -1.73 0.00 0.00 68.15 68.16 2fvt h THR 102 CO 0.54 0.01 -0.06 1.23 -0.25 0.00 0.00 175.52 176.98 2fvt h GLY 103 N 0.03 -0.90 1.56 5.82 0.00 -1.92 0.48 103.07 108.14 2fvt h GLY 103 Ca 0.26 0.40 0.06 0.00 0.00 0.00 0.00 47.33 48.05 2fvt h GLY 103 CO -0.52 -0.33 0.16 -2.55 0.00 0.00 0.00 176.54 173.30 2fvt h PRO 104 N -0.11 0.03 -0.06 4.80 0.11 -1.92 -1.94 132.00 132.92 2fvt h PRO 104 Ca -0.01 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2fvt h PRO 104 Cb 0.10 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 2fvt h PRO 104 CO -0.02 0.02 0.01 0.00 -0.21 0.00 0.00 178.00 177.80 2fvt h ALA 105 N 1.88 0.08 -0.70 -0.75 0.00 -0.45 0.55 119.26 119.87 2fvt h ALA 105 Ca 0.11 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2fvt h ALA 105 Cb 0.39 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2fvt h ALA 105 CO -0.00 -0.28 0.44 0.82 0.00 0.00 0.00 179.25 180.23 2fvt h ILE 106 N -0.16 1.10 0.20 0.00 2.04 -0.40 0.11 117.51 120.40 2fvt h ILE 106 Ca 0.02 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 2fvt h ILE 106 Cb 0.29 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 2fvt h ILE 106 CO 0.00 0.16 -0.16 -0.09 0.00 0.00 0.00 178.15 178.06 2fvt h ARG 107 N 0.86 -0.36 -0.73 2.37 2.43 -1.23 0.14 114.38 117.85 2fvt h ARG 107 Ca 0.28 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.49 2fvt h ARG 107 Cb 0.02 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 2fvt h ARG 107 CO -0.11 -0.24 0.48 1.15 -1.51 0.00 0.00 179.97 179.74 2fvt h THR 108 N -0.37 1.16 -0.08 0.20 2.02 -0.45 -0.92 112.91 114.47 2fvt h THR 108 Ca -0.01 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 2fvt h THR 108 Cb 0.34 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2fvt h THR 108 CO -0.02 0.18 0.03 0.22 0.37 0.00 0.00 175.52 176.29 2fvt h TYR 109 N 0.96 0.14 -0.22 3.16 3.20 -0.58 0.23 116.97 123.86 2fvt h TYR 109 Ca 0.28 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.09 2fvt h TYR 109 Cb -0.07 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 2fvt h TYR 109 CO -0.03 0.29 -0.07 -0.97 -1.64 0.00 0.00 178.16 175.74 2fvt h ASN 110 N -0.05 0.32 0.07 -2.11 -1.24 -0.40 0.18 115.58 112.34 2fvt h ASN 110 Ca 0.03 -0.06 -0.18 0.00 0.71 0.00 0.00 56.30 56.80 2fvt h ASN 110 Cb 0.22 -0.08 0.02 0.00 0.73 0.00 0.00 38.32 39.20 2fvt h ASN 110 CO -0.00 0.43 -0.74 0.40 -1.29 0.00 0.00 177.43 176.24 2fvt h ILE 111 N 0.32 1.46 -0.49 2.57 2.04 -1.08 -3.32 117.51 119.02 2fvt h ILE 111 Ca 0.07 -2.32 -0.06 0.00 1.00 0.00 0.00 64.86 63.56 2fvt h ILE 111 Cb 0.34 2.89 -0.02 0.00 -0.74 0.00 0.00 36.82 39.28 2fvt h ILE 111 CO 0.02 0.67 0.06 -0.03 0.00 0.00 0.00 178.15 178.86 2fvt h MET 112 N -0.21 0.77 0.00 2.37 4.05 0.01 -1.24 114.93 120.69 2fvt h MET 112 Ca -0.11 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.13 2fvt h MET 112 Cb 1.50 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 32.19 2fvt h MET 112 CO 0.14 0.74 0.00 0.97 0.23 0.00 0.00 176.91 178.99 2fvt h ILE 113 N 0.74 0.00 -0.01 1.77 6.09 -0.79 0.44 117.51 125.74 2fvt h ILE 113 Ca 0.15 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 63.43 2fvt h ILE 113 Cb 0.36 0.94 0.00 0.00 0.47 0.00 0.00 36.82 38.59 2fvt h ILE 113 CO 0.01 0.00 -0.54 0.61 -3.07 0.00 0.00 178.15 175.16 2fvt n GLY 114 N -0.19 -0.13 0.04 8.18 0.00 -0.51 -4.08 105.19 108.50 2fvt n GLY 114 Ca 0.01 -0.63 -0.04 0.00 0.00 0.00 0.00 46.02 45.36 2fvt n GLY 114 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2fvt n GLU 115 N -0.25 2.59 -3.12 1.61 4.07 -0.36 -4.94 120.64 120.24 2fvt n GLU 115 Ca 0.09 -0.01 0.01 0.00 -0.06 0.00 0.00 57.16 57.19 2fvt n GLU 115 Cb 0.45 -1.22 -0.01 0.00 -0.06 0.00 0.00 31.44 30.60 2fvt n GLU 115 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 2fvt s ARG 116 N -2.21 0.67 -0.74 5.31 3.52 0.14 -5.06 118.95 120.58 2fvt s ARG 116 Ca -0.04 -0.19 -0.26 0.00 -0.13 0.00 0.00 55.73 55.11 2fvt s ARG 116 Cb 0.03 0.09 -0.22 0.00 -1.56 0.00 0.00 34.95 33.28 2fvt s ARG 116 CO 0.35 -0.99 1.88 0.54 -0.81 0.00 0.00 175.30 176.28 2fvt n ARG 117 N 4.31 0.78 -1.08 5.12 1.74 -1.26 -3.87 116.66 122.40 2fvt n ARG 117 Ca 0.10 -1.74 -0.05 0.00 -0.77 0.00 0.00 57.85 55.39 2fvt n ARG 117 Cb 0.58 -3.26 -0.06 0.00 -1.02 0.00 0.00 32.46 28.71 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 7.86 0.00 -4.45 5.56 1.74 -1.26 -5.04 116.66 121.07 2fvt n ARG 118 Ca 0.46 -1.16 -0.23 0.00 -0.77 0.00 0.00 57.85 56.15 2fvt n ARG 118 Cb 0.44 0.42 -0.13 0.00 -1.02 0.00 0.00 32.46 32.16 2fvt n ARG 118 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2fvt s VAL 119 N 0.00 1.49 0.06 1.55 0.11 -1.25 0.18 120.40 122.54 2fvt s VAL 119 Ca 0.05 -1.23 0.03 0.00 -2.93 0.00 0.00 61.98 57.90 2fvt s VAL 119 Cb 0.06 -1.33 -0.03 0.00 -1.53 0.00 0.00 36.38 33.56 2fvt s VAL 119 CO -0.03 0.06 -0.09 0.00 -3.33 0.00 0.00 175.10 171.71 2fvt s ALA 120 N -0.93 0.80 -0.11 1.54 0.00 -0.79 -4.15 121.76 118.13 2fvt s ALA 120 Ca 0.05 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.06 2fvt s ALA 120 Cb -0.09 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.09 2fvt s ALA 120 CO 0.02 -0.03 -0.11 0.00 0.00 0.00 0.00 175.76 175.65 2fvt s ALA 121 N -1.86 1.44 -0.45 0.00 0.00 -0.32 -0.72 121.76 119.85 2fvt s ALA 121 Ca -0.03 -0.60 -0.15 0.00 0.00 0.00 0.00 51.96 51.18 2fvt s ALA 121 Cb -0.07 -0.85 0.05 0.00 0.00 0.00 0.00 23.12 22.25 2fvt s ALA 121 CO -0.00 -0.26 0.36 0.00 0.00 0.00 0.00 175.76 175.86 2fvt s ALA 122 N 1.37 3.53 -0.24 0.00 0.00 0.69 -0.17 121.76 126.93 2fvt s ALA 122 Ca -0.01 -1.95 -0.11 0.00 0.00 0.00 0.00 51.96 49.90 2fvt s ALA 122 Cb -0.14 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 2fvt s ALA 122 CO -0.05 -1.62 0.16 -0.51 0.00 0.00 0.00 175.76 173.74 2fvt s LEU 123 N 1.66 4.10 -0.07 0.00 1.43 0.36 -0.34 118.68 125.82 2fvt s LEU 123 Ca 0.04 0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 53.24 2fvt s LEU 123 Cb -0.22 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.86 2fvt s LEU 123 CO 0.08 0.05 -0.04 -0.63 0.23 0.00 0.00 176.35 176.05 2fvt s ILE 124 N 1.14 3.98 0.12 -0.59 1.01 -0.99 -1.11 121.20 124.76 2fvt s ILE 124 Ca 0.07 -0.40 -0.35 0.00 0.00 0.00 0.00 60.65 59.97 2fvt s ILE 124 Cb -0.14 -2.66 -0.15 0.00 0.01 0.00 0.00 42.46 39.53 2fvt s ILE 124 CO 0.05 0.58 1.53 0.00 0.00 0.00 0.00 174.94 177.10 2fvt n ALA 125 N 2.11 0.64 -2.59 9.38 0.00 -0.26 -3.93 120.51 125.85 2fvt n ALA 125 Ca -0.18 0.46 -0.43 0.00 0.00 0.00 0.00 53.44 53.29 2fvt n ALA 125 Cb 0.53 -2.28 -0.02 0.00 0.00 0.00 0.00 19.45 17.68 2fvt n ALA 125 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2fvt s VAL 126 N 1.03 4.49 0.19 0.00 1.01 -1.26 -4.70 120.40 121.16 2fvt s VAL 126 Ca 0.82 1.76 -0.32 0.00 0.00 0.00 0.00 61.98 64.24 2fvt s VAL 126 Cb -0.77 -4.29 -0.12 0.00 0.00 0.00 0.00 36.38 31.20 2fvt s VAL 126 CO 0.42 -0.33 1.74 -2.84 0.00 0.00 0.00 175.10 174.09 2fvt s PRO 127 N 3.54 4.13 -0.17 2.72 0.02 -1.26 -4.88 135.00 139.10 2fvt s PRO 127 Ca 0.47 2.60 0.05 0.00 0.02 0.00 0.00 61.00 64.15 2fvt s PRO 127 Cb -0.15 -3.19 0.40 0.00 0.02 0.00 0.00 34.50 31.58 2fvt s PRO 127 CO 0.13 -0.77 1.29 1.28 -0.33 0.00 0.00 177.00 178.59 2fvt n LEU 128 N 4.37 4.08 -0.60 -5.54 4.32 -1.26 -4.52 117.00 117.85 2fvt n LEU 128 Ca 0.16 -2.10 0.00 0.00 -0.02 0.00 0.00 56.01 54.05 2fvt n LEU 128 Cb 0.36 -0.63 0.00 0.00 -1.62 0.00 0.00 43.42 41.53 2fvt n LEU 128 CO 0.64 0.58 0.21 -0.62 -1.22 0.00 0.00 177.39 176.99 2fvt n GLU 129 N 0.05 0.72 0.00 3.23 -0.58 -1.26 -3.43 120.64 119.37 2fvt n GLU 129 Ca 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 2fvt n GLU 129 Cb 0.90 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 30.45 2fvt n GLU 129 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2fvt n HIS 130 N 0.24 0.00 -1.79 -0.32 8.25 -1.26 -4.17 115.22 116.16 2fvt n HIS 130 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2fvt n HIS 130 Cb 0.21 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.32 2fvt n HIS 130 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2fvt n HIS 131 N -2.05 3.41 0.00 4.41 -0.00 -1.22 -3.28 115.22 116.49 2fvt n HIS 131 Ca 0.00 -2.96 0.00 0.00 -0.00 0.00 0.00 57.72 54.76 2fvt n HIS 131 Cb 0.00 -2.47 0.00 0.00 -0.00 0.00 0.00 29.99 27.52 2fvt n HIS 131 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2fvt n HIS 132 N 5.68 0.00 0.08 1.57 -0.00 -1.23 -5.01 115.22 116.31 2fvt n HIS 132 Ca 0.52 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 58.11 2fvt n HIS 132 Cb 0.38 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.28 2fvt n HIS 132 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2fvt h HIS 133 N 0.00 -0.21 -2.99 1.57 2.76 -1.71 -3.41 115.15 111.16 2fvt h HIS 133 Ca 0.00 -0.00 -0.57 0.00 -2.20 0.00 0.00 60.37 57.60 2fvt h HIS 133 Cb 0.00 0.07 -0.04 0.00 1.55 0.00 0.00 27.41 28.99 2fvt h HIS 133 CO 0.00 0.15 0.82 -1.58 -1.30 0.00 0.00 177.93 176.03 2fvt s HIS 134 N -4.55 3.04 0.00 5.26 2.46 -1.25 -5.09 115.29 115.15 2fvt s HIS 134 Ca -0.15 1.16 0.00 0.00 0.47 0.00 0.00 55.06 56.54 2fvt s HIS 134 Cb 0.02 -3.43 0.00 0.00 -0.13 0.00 0.00 32.58 29.04 2fvt s HIS 134 CO 0.59 -1.35 0.40 1.58 -2.47 0.00 0.00 174.74 173.49