#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 1.45 -0.16 -5.12 0.00 -1.26 -5.02 121.76 111.66 2fvt s ALA 2 Ca 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 51.96 51.35 2fvt s ALA 2 Cb 0.00 -0.83 0.05 0.00 0.00 0.00 0.00 23.12 22.34 2fvt s ALA 2 CO 0.00 -0.22 2.27 0.94 0.00 0.00 0.00 175.76 178.75 2fvt n GLN 3 N 4.51 1.54 -4.04 0.00 7.27 -1.26 -4.75 117.38 120.65 2fvt n GLN 3 Ca -0.17 -0.91 -0.14 0.00 0.07 0.00 0.00 57.00 55.86 2fvt n GLN 3 Cb 0.51 -1.45 -0.14 0.00 2.41 0.00 0.00 30.24 31.57 2fvt n GLN 3 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2fvt s ARG 4 N -0.71 0.28 0.00 3.69 0.52 -1.26 -5.05 118.95 116.42 2fvt s ARG 4 Ca 0.25 -0.20 0.09 0.00 -0.52 0.00 0.00 55.73 55.34 2fvt s ARG 4 Cb 0.16 -0.22 0.15 0.00 0.52 0.00 0.00 34.95 35.55 2fvt s ARG 4 CO -0.02 0.06 1.00 0.45 0.02 0.00 0.00 175.30 176.81 2fvt n SER 5 N 2.77 -0.12 -0.51 0.23 2.88 -1.26 -4.89 113.62 112.72 2fvt n SER 5 Ca -0.14 -1.88 0.14 0.00 -1.33 0.00 0.00 58.87 55.65 2fvt n SER 5 Cb 0.58 0.02 0.48 0.00 -0.75 0.00 0.00 64.21 64.54 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 0.17 1.69 -2.40 -1.46 4.71 -1.26 -4.79 120.64 117.30 2fvt n GLU 6 Ca -0.11 -1.03 -0.43 0.00 -0.01 0.00 0.00 57.16 55.58 2fvt n GLU 6 Cb 0.83 -1.48 -0.02 0.00 -1.01 0.00 0.00 31.44 29.76 2fvt n GLU 6 CO 0.00 0.00 0.00 -1.50 0.09 0.00 0.00 177.13 175.72 2fvt s ILE 7 N -2.02 3.97 0.36 -3.67 2.07 -1.26 -5.01 121.20 115.65 2fvt s ILE 7 Ca 0.37 1.00 0.00 0.00 -1.41 0.00 0.00 60.65 60.60 2fvt s ILE 7 Cb 0.21 -4.28 0.07 0.00 0.13 0.00 0.00 42.46 38.59 2fvt s ILE 7 CO 0.34 -0.79 0.50 -0.81 -1.91 0.00 0.00 174.94 172.27 2fvt n PRO 8 N 8.00 0.30 -4.12 3.50 -0.04 -1.26 -5.13 135.00 136.24 2fvt n PRO 8 Ca 0.16 -1.40 -0.15 0.00 -0.04 0.00 0.00 63.50 62.07 2fvt n PRO 8 Cb 0.48 -0.32 -0.11 0.00 -0.04 0.00 0.00 33.50 33.51 2fvt n PRO 8 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2fvt s HIS 9 N -1.40 0.91 -0.50 0.54 3.76 -1.26 -5.12 115.29 112.23 2fvt s HIS 9 Ca 0.33 -0.52 -0.15 0.00 -0.15 0.00 0.00 55.06 54.58 2fvt s HIS 9 Cb -0.02 -0.52 0.11 0.00 1.11 0.00 0.00 32.58 33.25 2fvt s HIS 9 CO 0.22 -0.03 0.44 -0.06 -0.85 0.00 0.00 174.74 174.46 2fvt s PHE 10 N -1.54 3.27 -0.37 1.40 0.08 -1.26 -5.04 117.98 114.51 2fvt s PHE 10 Ca -0.05 -1.25 -0.20 0.00 0.12 0.00 0.00 56.93 55.55 2fvt s PHE 10 Cb -0.09 -3.52 0.01 0.00 -0.57 0.00 0.00 43.02 38.85 2fvt s PHE 10 CO 0.01 -0.94 0.62 -1.25 -0.10 0.00 0.00 175.22 173.57 2fvt s PRO 11 N 1.58 3.58 -1.60 0.24 0.05 -1.26 -1.26 135.00 136.33 2fvt s PRO 11 Ca 0.04 -0.07 0.00 0.00 0.05 0.00 0.00 61.00 61.02 2fvt s PRO 11 Cb -0.27 -3.84 0.00 0.00 0.05 0.00 0.00 34.50 30.44 2fvt s PRO 11 CO 0.04 -0.79 0.00 -2.13 0.05 0.00 0.00 177.00 174.17 2fvt n ARG 12 N 6.07 -1.48 -2.99 4.56 0.63 0.09 -4.85 116.66 118.69 2fvt n ARG 12 Ca -0.02 0.91 -0.43 0.00 -0.92 0.00 0.00 57.85 57.39 2fvt n ARG 12 Cb 0.48 -5.44 -0.05 0.00 0.45 0.00 0.00 32.46 27.91 2fvt n ARG 12 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2fvt s THR 13 N -2.92 4.60 -0.26 5.15 2.01 -1.26 -4.86 115.64 118.09 2fvt s THR 13 Ca 0.00 -0.32 0.12 0.00 0.31 0.00 0.00 61.69 61.80 2fvt s THR 13 Cb 0.00 -4.49 0.59 0.00 0.01 0.00 0.00 72.50 68.61 2fvt s THR 13 CO 0.00 -1.10 1.56 0.00 -0.69 0.00 0.00 174.62 174.39 2fvt n ALA 14 N 6.93 3.93 -3.20 7.40 0.00 -1.26 -4.84 120.51 129.46 2fvt n ALA 14 Ca -0.04 -2.60 -0.43 0.00 0.00 0.00 0.00 53.44 50.37 2fvt n ALA 14 Cb 0.45 -0.89 -0.08 0.00 0.00 0.00 0.00 19.45 18.93 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 -3.02 3.46 -0.37 0.00 0.00 -1.26 -4.92 121.76 115.65 2fvt s ALA 15 Ca 0.47 -2.27 -0.13 0.00 0.00 0.00 0.00 51.96 50.02 2fvt s ALA 15 Cb 0.39 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.59 2fvt s ALA 15 CO 0.07 -1.78 0.25 0.42 0.00 0.00 0.00 175.76 174.72 2fvt s ILE 16 N 1.51 5.13 -1.21 0.00 1.01 -1.26 -4.49 121.20 121.89 2fvt s ILE 16 Ca 0.04 -0.47 0.25 0.00 0.00 0.00 0.00 60.65 60.47 2fvt s ILE 16 Cb -0.25 -3.73 0.04 0.00 0.01 0.00 0.00 42.46 38.52 2fvt s ILE 16 CO 0.03 -0.13 1.38 -0.90 0.00 0.00 0.00 174.94 175.32 2fvt n ASP 17 N 5.10 0.73 -3.66 3.58 5.75 -1.21 -4.81 116.55 122.03 2fvt n ASP 17 Ca -0.12 -0.53 -0.08 0.00 -0.01 0.00 0.00 54.79 54.06 2fvt n ASP 17 Cb 0.48 0.32 -0.09 0.00 -1.03 0.00 0.00 41.12 40.81 2fvt n ASP 17 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2fvt s ALA 18 N -2.87 -1.39 -0.01 2.12 0.00 -0.49 -5.03 121.76 114.09 2fvt s ALA 18 Ca 0.14 1.80 0.01 0.00 0.00 0.00 0.00 51.96 53.91 2fvt s ALA 18 Cb 0.18 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 22.00 2fvt s ALA 18 CO 0.67 -0.58 -0.03 -0.47 0.00 0.00 0.00 175.76 175.35 2fvt s TYR 19 N 2.16 0.35 -5.00 0.00 5.04 -1.26 -1.30 117.35 117.34 2fvt s TYR 19 Ca -0.06 -0.06 0.00 0.00 -2.44 0.00 0.00 57.07 54.52 2fvt s TYR 19 Cb -0.10 -0.28 0.00 0.00 0.35 0.00 0.00 41.96 41.93 2fvt s TYR 19 CO -0.15 -0.04 0.00 0.41 -1.34 0.00 0.00 175.55 174.43 2fvt n GLY 20 N 3.32 -0.32 5.22 8.97 0.00 -1.24 -5.06 105.19 116.08 2fvt n GLY 20 Ca -0.17 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 0.00 0.00 -0.50 1.61 4.81 -1.26 -2.26 118.16 120.56 2fvt n LYS 21 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 2fvt n LYS 21 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 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 0.00 -0.10 3.72 3.14 0.00 -1.26 -4.55 105.19 106.14 2fvt n GLY 22 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2fvt n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fvt s GLY 23 N -0.19 -0.26 -0.26 -0.02 0.00 -0.96 -3.61 107.32 102.03 2fvt s GLY 23 Ca 0.00 0.19 -0.09 0.00 0.00 0.00 0.00 44.72 44.83 2fvt s GLY 23 CO 0.00 0.04 0.11 -1.36 0.00 0.00 0.00 173.10 171.89 2fvt s PHE 24 N -3.38 3.14 -0.30 1.90 0.40 0.78 -3.59 117.98 116.93 2fvt s PHE 24 Ca 0.11 -0.22 -0.06 0.00 -0.60 0.00 0.00 56.93 56.16 2fvt s PHE 24 Cb -0.02 -2.27 0.02 0.00 0.51 0.00 0.00 43.02 41.26 2fvt s PHE 24 CO 0.01 -0.26 0.06 -0.47 0.70 0.00 0.00 175.22 175.26 2fvt s TYR 25 N 1.59 3.17 -0.05 0.36 5.04 -0.42 -0.37 117.35 126.67 2fvt s TYR 25 Ca 0.06 -1.21 -0.02 0.00 -2.44 0.00 0.00 57.07 53.46 2fvt s TYR 25 Cb -0.15 -2.23 0.04 0.00 0.35 0.00 0.00 41.96 39.97 2fvt s TYR 25 CO 0.06 -0.65 0.11 -0.59 -1.34 0.00 0.00 175.55 173.14 2fvt s PHE 26 N 1.44 -0.09 -0.20 4.97 -0.71 -0.33 -1.40 117.98 121.66 2fvt s PHE 26 Ca 0.01 0.38 0.00 0.00 -1.04 0.00 0.00 56.93 56.28 2fvt s PHE 26 Cb -0.18 -0.18 0.00 0.00 -1.21 0.00 0.00 43.02 41.45 2fvt s PHE 26 CO 0.01 -0.16 0.00 0.00 -1.34 0.00 0.00 175.22 173.73 2fvt n ALA 27 N 4.44 -0.03 0.00 1.99 0.00 -1.26 -2.52 120.51 123.13 2fvt n ALA 27 Ca -0.22 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2fvt n ALA 27 Cb 0.51 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2fvt n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fvt n GLY 28 N 0.04 1.37 3.72 0.00 0.00 -1.26 -5.12 105.19 103.94 2fvt n GLY 28 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 2.90 -0.36 1.61 0.00 -1.05 -5.08 119.30 117.32 2fvt s MET 29 Ca 0.00 -0.55 0.01 0.00 0.00 0.00 0.00 55.69 55.15 2fvt s MET 29 Cb 0.00 -2.74 0.10 0.00 0.00 0.00 0.00 34.83 32.19 2fvt s MET 29 CO 0.00 0.64 0.11 0.45 0.00 0.00 0.00 175.02 176.22 2fvt s SER 30 N -1.55 4.96 -0.23 -1.18 0.15 -1.26 -1.18 113.70 113.41 2fvt s SER 30 Ca 0.20 -2.07 -0.06 0.00 0.70 0.00 0.00 55.95 54.72 2fvt s SER 30 Cb -0.12 -1.71 -0.02 0.00 -1.71 0.00 0.00 66.02 62.46 2fvt s SER 30 CO 0.11 -0.44 0.02 -2.28 1.20 0.00 0.00 173.24 171.85 2fvt s HIS 31 N 1.01 3.04 0.36 3.44 5.04 0.51 -4.87 115.29 123.81 2fvt s HIS 31 Ca 0.09 -0.58 -0.12 0.00 -1.54 0.00 0.00 55.06 52.92 2fvt s HIS 31 Cb -0.21 -2.16 -0.07 0.00 0.04 0.00 0.00 32.58 30.18 2fvt s HIS 31 CO -0.06 -0.38 0.74 -0.65 -2.34 0.00 0.00 174.74 172.05 2fvt s GLN 32 N 1.42 3.86 0.00 2.88 -0.21 -1.26 -0.15 119.66 126.20 2fvt s GLN 32 Ca 0.05 0.53 0.00 0.00 0.02 0.00 0.00 55.36 55.96 2fvt s GLN 32 Cb -0.15 -2.42 0.00 0.00 1.00 0.00 0.00 33.01 31.44 2fvt s GLN 32 CO 0.01 0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.65 2fvt n GLY 33 N -0.87 0.79 3.40 3.09 0.00 -1.24 -4.93 105.19 105.43 2fvt n GLY 33 Ca 0.03 -1.48 -0.26 0.00 0.00 0.00 0.00 46.02 44.31 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 -4.00 3.26 0.04 1.61 0.01 -1.25 -0.71 113.70 112.66 2fvt s SER 34 Ca 0.00 -0.86 0.01 0.00 1.31 0.00 0.00 55.95 56.41 2fvt s SER 34 Cb 0.00 -0.23 -0.03 0.00 0.21 0.00 0.00 66.02 65.97 2fvt s SER 34 CO 0.00 0.09 -0.05 -0.76 0.41 0.00 0.00 173.24 172.94 2fvt s LEU 35 N -2.63 2.30 -0.39 2.44 1.43 -0.44 -2.34 118.68 119.06 2fvt s LEU 35 Ca 0.19 -0.63 -0.05 0.00 -1.03 0.00 0.00 54.13 52.61 2fvt s LEU 35 Cb -0.08 0.03 0.08 0.00 0.03 0.00 0.00 46.19 46.25 2fvt s LEU 35 CO 0.09 -0.33 0.18 -0.76 0.23 0.00 0.00 176.35 175.76 2fvt s LEU 36 N -1.84 4.88 -0.68 1.79 1.43 0.12 -1.79 118.68 122.59 2fvt s LEU 36 Ca -0.09 -1.61 -0.21 0.00 -1.03 0.00 0.00 54.13 51.19 2fvt s LEU 36 Cb -0.06 -1.87 0.09 0.00 0.03 0.00 0.00 46.19 44.38 2fvt s LEU 36 CO -0.02 -0.47 0.91 -0.36 0.23 0.00 0.00 176.35 176.64 2fvt s PHE 37 N 1.29 2.84 0.31 0.29 0.40 0.11 -0.52 117.98 122.70 2fvt s PHE 37 Ca 0.03 -0.80 -0.04 0.00 -0.60 0.00 0.00 56.93 55.52 2fvt s PHE 37 Cb -0.22 -4.21 -0.05 0.00 0.51 0.00 0.00 43.02 39.05 2fvt s PHE 37 CO -0.01 -1.52 0.58 -0.51 0.70 0.00 0.00 175.22 174.46 2fvt s LEU 38 N 3.44 4.01 0.04 -0.37 1.43 -0.26 -0.94 118.68 126.04 2fvt s LEU 38 Ca 0.20 0.70 0.05 0.00 -1.03 0.00 0.00 54.13 54.06 2fvt s LEU 38 Cb -0.17 -3.53 0.26 0.00 0.03 0.00 0.00 46.19 42.77 2fvt s LEU 38 CO 0.06 -0.24 1.17 -2.65 0.23 0.00 0.00 176.35 174.92 2fvt n PRO 39 N -1.18 0.02 0.00 1.29 -0.02 -1.26 -2.60 135.00 131.26 2fvt n PRO 39 Ca -0.02 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2fvt n PRO 39 Cb 0.54 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 2fvt n PRO 39 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2fvt n ASP 40 N -1.61 4.91 -3.50 2.55 5.75 -1.26 -4.58 116.55 118.80 2fvt n ASP 40 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.69 2fvt n ASP 40 Cb 0.04 0.75 -0.02 0.00 -1.03 0.00 0.00 41.12 40.86 2fvt n ASP 40 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2fvt s ALA 41 N -1.97 -1.71 -0.19 2.12 0.00 -1.07 -0.73 121.76 118.21 2fvt s ALA 41 Ca 0.00 0.73 -0.07 0.00 0.00 0.00 0.00 51.96 52.62 2fvt s ALA 41 Cb 0.00 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 2fvt s ALA 41 CO 0.00 -0.75 0.05 0.08 0.00 0.00 0.00 175.76 175.14 2fvt s VAL 42 N -3.38 4.61 0.38 0.00 1.01 -0.39 -1.11 120.40 121.53 2fvt s VAL 42 Ca 0.04 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.97 2fvt s VAL 42 Cb -0.01 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 2fvt s VAL 42 CO -0.09 0.45 0.10 0.26 0.00 0.00 0.00 175.10 175.81 2fvt s TRP 43 N 0.53 1.84 0.29 5.22 0.52 0.32 -4.71 118.94 122.95 2fvt s TRP 43 Ca 0.02 -1.15 -0.03 0.00 0.02 0.00 0.00 56.10 54.96 2fvt s TRP 43 Cb -0.13 -1.21 -0.04 0.00 -1.15 0.00 0.00 33.47 30.94 2fvt s TRP 43 CO 0.01 -0.17 0.53 0.20 0.02 0.00 0.00 176.95 177.54 2fvt s GLY 44 N -3.56 1.70 -0.09 0.98 0.00 -1.26 0.14 107.32 105.23 2fvt s GLY 44 Ca 0.28 -0.70 -0.00 0.00 0.00 0.00 0.00 44.72 44.30 2fvt s GLY 44 CO 0.14 -0.61 -0.06 0.86 0.00 0.00 0.00 173.10 173.43 2fvt s TRP 45 N -2.12 1.25 -1.23 1.90 -0.00 -0.99 -4.49 118.94 113.26 2fvt s TRP 45 Ca 0.42 -0.55 -0.10 0.00 -0.00 0.00 0.00 56.10 55.87 2fvt s TRP 45 Cb -0.10 -1.07 0.19 0.00 -0.00 0.00 0.00 33.47 32.48 2fvt s TRP 45 CO 0.32 -0.41 1.66 -3.47 -0.00 0.00 0.00 176.95 175.04 2fvt n ASP 46 N 4.74 5.27 -3.76 5.86 2.03 -1.26 -3.79 116.55 125.63 2fvt n ASP 46 Ca -0.14 -3.09 -0.25 0.00 0.52 0.00 0.00 54.79 51.83 2fvt n ASP 46 Cb 0.50 -1.49 -0.17 0.00 -0.72 0.00 0.00 41.12 39.24 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 0.46 0.44 0.04 5.18 1.01 -1.26 -4.99 120.40 121.28 2fvt s VAL 47 Ca 0.40 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.26 2fvt s VAL 47 Cb 0.04 -0.74 -0.25 0.00 0.00 0.00 0.00 36.38 35.43 2fvt s VAL 47 CO 0.01 0.08 0.97 0.74 0.00 0.00 0.00 175.10 176.90 2fvt h THR 48 N 6.39 1.30 -3.42 3.92 2.02 -1.95 -3.34 112.91 117.83 2fvt h THR 48 Ca -0.19 -3.00 -0.36 0.00 0.77 0.00 0.00 66.41 63.63 2fvt h THR 48 Cb 1.12 2.73 -0.36 0.00 -1.74 0.00 0.00 68.15 69.91 2fvt h THR 48 CO 0.30 0.81 -0.75 -0.75 0.37 0.00 0.00 175.52 175.50 2fvt s LYS 49 N -2.65 0.20 -0.74 6.66 2.20 -1.26 -4.93 119.74 119.22 2fvt s LYS 49 Ca -0.04 0.17 -0.26 0.00 -0.36 0.00 0.00 55.97 55.48 2fvt s LYS 49 Cb 0.08 -0.53 -0.10 0.00 -1.51 0.00 0.00 37.83 35.77 2fvt s LYS 49 CO 0.84 -0.21 2.29 -1.25 -0.36 0.00 0.00 175.35 176.65 2fvt s PRO 50 N 1.45 1.94 0.00 4.03 0.04 -1.26 -3.11 135.00 138.10 2fvt s PRO 50 Ca -0.04 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.53 2fvt s PRO 50 Cb -0.13 -4.77 0.00 0.00 0.04 0.00 0.00 34.50 29.64 2fvt s PRO 50 CO -0.03 -3.91 0.00 -1.91 0.04 0.00 0.00 177.00 171.20 2fvt n GLU 51 N 8.89 0.00 -1.84 4.56 2.13 -1.26 -4.92 120.64 128.20 2fvt n GLU 51 Ca 0.42 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.88 2fvt n GLU 51 Cb 0.47 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.18 2fvt n GLU 51 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2fvt n GLN 52 N -1.97 2.98 -3.21 5.31 1.13 -1.18 -4.91 117.38 115.52 2fvt n GLN 52 Ca 0.00 -3.21 -0.40 0.00 -1.94 0.00 0.00 57.00 51.44 2fvt n GLN 52 Cb 0.00 -2.26 -0.07 0.00 0.11 0.00 0.00 30.24 28.01 2fvt n GLN 52 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2fvt s ILE 53 N -3.81 5.03 0.06 5.09 1.01 -1.26 -4.96 121.20 122.36 2fvt s ILE 53 Ca 0.53 0.74 0.01 0.00 0.00 0.00 0.00 60.65 61.93 2fvt s ILE 53 Cb 0.38 -3.90 -0.00 0.00 0.01 0.00 0.00 42.46 38.95 2fvt s ILE 53 CO -0.31 -0.04 0.03 -0.90 0.00 0.00 0.00 174.94 173.73 2fvt n ASP 54 N 5.67 0.56 0.22 3.58 5.75 -1.26 -5.01 116.55 126.05 2fvt n ASP 54 Ca -0.04 -1.36 0.10 0.00 -0.01 0.00 0.00 54.79 53.48 2fvt n ASP 54 Cb 0.49 0.21 0.43 0.00 -1.03 0.00 0.00 41.12 41.22 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 0.00 0.03 0.11 2.43 -1.96 0.50 114.38 115.49 2fvt h ARG 55 Ca -0.05 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.91 2fvt h ARG 55 Cb 0.20 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 2fvt h ARG 55 CO 0.07 0.22 -1.00 -0.92 -1.51 0.00 0.00 179.97 176.83 2fvt h TYR 56 N 0.00 0.18 0.00 2.20 3.20 -1.98 -1.81 116.97 118.76 2fvt h TYR 56 Ca -0.00 -0.12 -0.19 0.00 3.14 0.00 0.00 58.73 61.55 2fvt h TYR 56 Cb 0.79 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.02 2fvt h TYR 56 CO 0.00 1.03 -1.10 0.66 -1.64 0.00 0.00 178.16 177.11 2fvt h SER 57 N 0.04 0.00 -0.42 -2.11 4.64 -1.86 -3.19 113.55 110.66 2fvt h SER 57 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2fvt h SER 57 Cb 1.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.80 2fvt h SER 57 CO 0.14 0.80 0.00 0.18 -0.87 0.00 0.00 176.83 177.09 2fvt n LEU 58 N -3.17 2.28 0.07 5.97 4.77 0.14 -4.33 117.00 122.73 2fvt n LEU 58 Ca -0.05 -1.13 0.03 0.00 -0.03 0.00 0.00 56.01 54.84 2fvt n LEU 58 Cb 0.89 -0.28 0.42 0.00 -2.33 0.00 0.00 43.42 42.13 2fvt n LEU 58 CO 0.44 0.56 1.02 -0.61 -1.33 0.00 0.00 177.39 177.48 2fvt h GLN 59 N 2.52 0.36 -0.13 3.23 5.75 -1.31 0.99 115.11 126.53 2fvt h GLN 59 Ca 0.00 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 2fvt h GLN 59 Cb 0.58 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 2fvt h GLN 59 CO 0.00 0.35 0.05 0.00 -2.65 0.00 0.00 178.83 176.58 2fvt h ARG 60 N 0.36 0.17 0.04 1.69 3.08 -1.83 -2.67 114.38 115.22 2fvt h ARG 60 Ca 0.09 -0.01 -0.26 0.00 0.07 0.00 0.00 59.98 59.86 2fvt h ARG 60 Cb 0.16 -0.04 0.02 0.00 0.08 0.00 0.00 29.97 30.19 2fvt h ARG 60 CO -0.00 0.14 -1.04 0.28 -1.07 0.00 0.00 179.97 178.28 2fvt h VAL 61 N 0.17 1.30 -0.20 2.04 2.07 -1.13 -2.68 116.25 117.83 2fvt h VAL 61 Ca 0.05 -2.29 -0.03 0.00 0.82 0.00 0.00 66.70 65.25 2fvt h VAL 61 Cb 0.03 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 2fvt h VAL 61 CO -0.01 0.70 -0.02 -0.26 0.02 0.00 0.00 177.57 178.00 2fvt h PHE 62 N 0.28 0.30 0.00 1.57 0.04 -1.13 -0.61 116.94 117.39 2fvt h PHE 62 Ca -0.14 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.61 2fvt h PHE 62 Cb 1.71 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.77 2fvt h PHE 62 CO 0.12 0.33 -0.00 0.22 -0.60 0.00 0.00 178.31 178.37 2fvt h ASP 63 N 0.29 -0.00 -0.19 2.17 1.82 -1.54 -3.30 116.42 115.66 2fvt h ASP 63 Ca 0.07 -0.84 -0.01 0.00 -0.39 0.00 0.00 57.03 55.85 2fvt h ASP 63 Cb 0.23 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.24 2fvt h ASP 63 CO 0.01 0.84 0.02 -3.20 -1.61 0.00 0.00 179.24 175.30 2fvt n ASN 64 N -4.68 2.57 0.00 2.28 2.85 -1.01 -4.11 115.26 113.15 2fvt n ASN 64 Ca -0.09 -2.31 0.04 0.00 -0.11 0.00 0.00 54.58 52.10 2fvt n ASN 64 Cb 0.41 -0.56 0.17 0.00 1.24 0.00 0.00 39.78 41.03 2fvt n ASN 64 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2fvt n ALA 65 N 0.18 1.36 0.21 5.20 0.00 -0.25 -0.41 120.51 126.80 2fvt n ALA 65 Ca 0.10 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.61 2fvt n ALA 65 Cb 0.58 -1.13 0.30 0.00 0.00 0.00 0.00 19.45 19.20 2fvt n ALA 65 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2fvt h ASN 66 N 0.00 0.00 0.00 0.00 7.08 -1.87 -3.32 115.58 117.48 2fvt h ASN 66 Ca 0.00 0.00 -0.12 0.00 -3.08 0.00 0.00 56.30 53.10 2fvt h ASN 66 Cb 0.13 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.35 2fvt h ASN 66 CO 0.00 0.20 -1.50 0.00 -2.08 0.00 0.00 177.43 174.05 2fvt n ALA 67 N -2.17 1.90 -2.87 4.14 0.00 -0.00 -4.83 120.51 116.68 2fvt n ALA 67 Ca 0.02 -0.45 -0.43 0.00 0.00 0.00 0.00 53.44 52.57 2fvt n ALA 67 Cb 0.52 0.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.26 4.67 -0.12 0.00 1.01 0.46 -4.75 121.20 120.20 2fvt s ILE 68 Ca -0.04 -1.71 -0.07 0.00 0.00 0.00 0.00 60.65 58.83 2fvt s ILE 68 Cb 0.03 -4.86 -0.05 0.00 0.01 0.00 0.00 42.46 37.59 2fvt s ILE 68 CO 0.32 -1.61 0.09 -0.78 0.00 0.00 0.00 174.94 172.96 2fvt h ASP 69 N 8.56 0.00 -3.55 3.58 3.58 -1.77 -3.43 116.42 123.39 2fvt h ASP 69 Ca 0.21 -0.17 -0.63 0.00 0.42 0.00 0.00 57.03 56.85 2fvt h ASP 69 Cb 0.99 0.00 -0.19 0.00 1.72 0.00 0.00 39.33 41.84 2fvt h ASP 69 CO 1.19 0.68 -0.58 -0.89 -2.88 0.00 0.00 179.24 176.76 2fvt s THR 70 N -1.84 4.66 -0.14 2.25 2.01 -1.00 -1.32 115.64 120.26 2fvt s THR 70 Ca -0.07 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 61.86 2fvt s THR 70 Cb 0.00 -3.15 -0.01 0.00 0.01 0.00 0.00 72.50 69.35 2fvt s THR 70 CO 0.18 0.37 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.11 2fvt s LEU 71 N 1.15 2.57 -0.17 4.42 2.96 0.32 -1.08 118.68 128.85 2fvt s LEU 71 Ca 0.05 -0.40 -0.00 0.00 -0.22 0.00 0.00 54.13 53.55 2fvt s LEU 71 Cb -0.14 -1.58 -0.00 0.00 0.50 0.00 0.00 46.19 44.97 2fvt s LEU 71 CO 0.04 0.13 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.43 2fvt s ILE 72 N 0.55 2.76 -0.19 6.68 1.01 -0.29 -2.01 121.20 129.71 2fvt s ILE 72 Ca -0.09 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 2fvt s ILE 72 Cb -0.16 -2.18 0.01 0.00 0.01 0.00 0.00 42.46 40.14 2fvt s ILE 72 CO 0.04 0.50 -0.14 -0.69 0.00 0.00 0.00 174.94 174.65 2fvt s VAL 73 N 0.94 2.58 -0.44 2.92 1.01 -1.01 -0.43 120.40 125.97 2fvt s VAL 73 Ca -0.03 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 2fvt s VAL 73 Cb -0.15 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.14 2fvt s VAL 73 CO -0.02 0.50 0.50 -0.83 0.00 0.00 0.00 175.10 175.25 2fvt s GLY 74 N 1.28 1.85 -0.18 4.51 0.00 -0.42 -1.43 107.32 112.93 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 -0.08 1.27 1.38 -1.30 0.00 0.00 0.00 173.10 174.37 2fvt n THR 75 N 5.53 1.90 -1.08 0.90 -2.24 0.56 -0.55 114.28 119.31 2fvt n THR 75 Ca -0.06 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 2fvt n THR 75 Cb 0.47 -0.78 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 -0.18 0.49 0.06 3.38 0.00 -1.24 -3.71 105.19 103.98 2fvt n GLY 76 Ca 0.25 -0.97 0.11 0.00 0.00 0.00 0.00 46.02 45.41 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 7.29 2.89 -2.72 4.61 0.00 -1.26 -0.95 120.51 130.37 2fvt n ALA 77 Ca 0.00 -0.38 -0.21 0.00 0.00 0.00 0.00 53.44 52.85 2fvt n ALA 77 Cb 0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 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 -4.66 6.16 -0.37 0.00 2.15 -1.24 -4.92 116.67 113.79 2fvt s ASP 78 Ca -0.02 0.01 -0.07 0.00 0.43 0.00 0.00 52.55 52.91 2fvt s ASP 78 Cb 0.12 -1.62 0.05 0.00 -0.30 0.00 0.00 42.92 41.18 2fvt s ASP 78 CO 0.84 -0.26 0.15 -0.69 -0.17 0.00 0.00 175.17 175.04 2fvt s VAL 79 N -2.11 3.88 -0.34 1.11 1.01 -1.26 -4.51 120.40 118.19 2fvt s VAL 79 Ca 0.39 -1.26 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 2fvt s VAL 79 Cb -0.09 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 33.02 2fvt s VAL 79 CO 0.31 -0.30 0.17 0.86 0.00 0.00 0.00 175.10 176.13 2fvt s TRP 80 N 1.39 3.21 0.01 5.22 -0.00 -1.26 -5.08 118.94 122.43 2fvt s TRP 80 Ca 0.00 -0.82 -0.22 0.00 -0.00 0.00 0.00 56.10 55.05 2fvt s TRP 80 Cb -0.21 -2.38 -0.05 0.00 -0.00 0.00 0.00 33.47 30.83 2fvt s TRP 80 CO 0.02 -0.57 0.67 -1.50 -0.00 0.00 0.00 176.95 175.58 2fvt s ILE 81 N 1.57 4.84 0.00 5.86 1.10 -1.26 -4.66 121.20 128.65 2fvt s ILE 81 Ca 0.03 1.41 -0.30 0.00 -0.51 0.00 0.00 60.65 61.28 2fvt s ILE 81 Cb -0.18 -4.01 -0.06 0.00 0.15 0.00 0.00 42.46 38.36 2fvt s ILE 81 CO 0.06 0.39 1.53 0.00 -2.11 0.00 0.00 174.94 174.81 2fvt s ALA 82 N -0.11 3.63 0.82 1.50 0.00 -1.26 -4.98 121.76 121.36 2fvt s ALA 82 Ca 0.34 0.98 -0.13 0.00 0.00 0.00 0.00 51.96 53.15 2fvt s ALA 82 Cb -0.19 -3.66 0.07 0.00 0.00 0.00 0.00 23.12 19.34 2fvt s ALA 82 CO 0.20 -1.09 1.05 -2.30 0.00 0.00 0.00 175.76 173.62 2fvt n PRO 83 N 5.86 0.10 -0.12 0.00 -0.02 -1.26 -4.74 135.00 134.83 2fvt n PRO 83 Ca 0.15 0.11 -0.09 0.00 -2.02 0.00 0.00 63.50 61.64 2fvt n PRO 83 Cb 0.42 -2.31 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 2fvt n PRO 83 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2fvt h ARG 84 N -0.98 0.53 -0.87 -0.52 2.43 -1.98 0.34 114.38 113.32 2fvt h ARG 84 Ca -0.46 -0.09 0.07 0.00 -0.81 0.00 0.00 59.98 58.70 2fvt h ARG 84 Cb 1.30 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.69 2fvt h ARG 84 CO 0.44 0.49 0.54 1.96 -1.51 0.00 0.00 179.97 181.89 2fvt h GLN 85 N 0.45 0.94 -0.27 0.20 1.08 -1.99 0.36 115.11 115.87 2fvt h GLN 85 Ca 0.12 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.21 2fvt h GLN 85 Cb 0.15 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 2fvt h GLN 85 CO -0.01 0.62 -0.06 1.25 -0.95 0.00 0.00 178.83 179.68 2fvt h LEU 86 N 0.97 0.52 -0.90 1.46 5.85 -1.84 -2.69 115.31 118.67 2fvt h LEU 86 Ca 0.39 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2fvt h LEU 86 Cb 0.21 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 2fvt h LEU 86 CO -0.19 0.76 0.50 -0.09 -0.34 0.00 0.00 178.44 179.08 2fvt h ARG 87 N 0.27 1.25 -0.45 1.25 2.43 0.12 0.17 114.38 119.41 2fvt h ARG 87 Ca 0.07 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2fvt h ARG 87 Cb 0.53 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 2fvt h ARG 87 CO 0.03 0.91 0.28 0.93 -1.51 0.00 0.00 179.97 180.61 2fvt h GLU 88 N 1.25 0.56 -0.47 0.20 4.39 -0.28 0.12 114.58 120.34 2fvt h GLU 88 Ca 0.32 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.96 2fvt h GLU 88 Cb 0.02 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 2fvt h GLU 88 CO -0.05 0.37 0.20 0.00 -1.16 0.00 0.00 179.01 178.37 2fvt h ALA 89 N 1.19 0.61 -0.27 3.43 0.00 -1.07 -1.92 119.26 121.22 2fvt h ALA 89 Ca 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2fvt h ALA 89 Cb -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2fvt h ALA 89 CO -0.06 0.20 0.13 -0.07 0.00 0.00 0.00 179.25 179.46 2fvt h LEU 90 N 0.62 0.35 -1.78 0.00 3.38 -0.62 -2.50 115.31 114.75 2fvt h LEU 90 Ca 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2fvt h LEU 90 Cb 0.17 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2fvt h LEU 90 CO -0.02 0.37 -0.05 -0.09 0.09 0.00 0.00 178.44 178.74 2fvt h ARG 91 N 0.31 0.00 0.00 1.13 2.43 -0.66 0.10 114.38 117.68 2fvt h ARG 91 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2fvt h ARG 91 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2fvt h ARG 91 CO -0.01 0.05 0.00 0.78 -1.51 0.00 0.00 179.97 179.28 2fvt h GLY 92 N 1.45 0.00 -1.63 2.80 0.00 -0.88 -2.38 103.07 102.43 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 0.01 0.00 0.00 -0.62 0.00 0.00 0.00 176.54 175.93 2fvt n VAL 93 N -2.97 2.00 0.00 4.60 0.31 -0.07 -4.94 118.33 117.26 2fvt n VAL 93 Ca 0.01 -1.65 0.00 0.00 -0.01 0.00 0.00 64.34 62.69 2fvt n VAL 93 Cb 0.29 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 33.15 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 -0.20 0.00 -4.60 4.52 5.15 -0.90 -4.91 115.26 114.32 2fvt n ASN 94 Ca 0.19 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.75 2fvt n ASN 94 Cb 0.80 -0.16 -0.03 0.00 -0.53 0.00 0.00 39.78 39.87 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 -2.50 3.32 -0.82 3.44 1.01 -0.65 -4.87 120.40 119.34 2fvt s VAL 95 Ca 0.00 0.33 -0.19 0.00 0.00 0.00 0.00 61.98 62.12 2fvt s VAL 95 Cb 0.00 -3.41 0.12 0.00 0.00 0.00 0.00 36.38 33.09 2fvt s VAL 95 CO 0.00 -0.25 1.01 -0.69 0.00 0.00 0.00 175.10 175.17 2fvt s VAL 96 N 7.13 4.72 -0.21 2.92 1.01 -0.43 -3.60 120.40 131.92 2fvt s VAL 96 Ca 0.86 -1.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 2fvt s VAL 96 Cb -0.27 -4.70 -0.04 0.00 0.00 0.00 0.00 36.38 31.37 2fvt s VAL 96 CO 0.34 -1.41 0.10 -0.22 0.00 0.00 0.00 175.10 173.91 2fvt s LEU 97 N 2.80 3.88 -0.04 3.92 2.96 -1.26 -0.52 118.68 130.41 2fvt s LEU 97 Ca 0.27 0.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.27 2fvt s LEU 97 Cb -0.10 -2.01 -0.00 0.00 0.50 0.00 0.00 46.19 44.57 2fvt s LEU 97 CO -0.03 0.10 -0.16 -1.81 -1.32 0.00 0.00 176.35 173.13 2fvt s ASP 98 N 0.81 2.02 -0.04 3.68 1.01 -0.85 -5.00 116.67 118.29 2fvt s ASP 98 Ca 0.05 -0.33 0.01 0.00 0.71 0.00 0.00 52.55 52.99 2fvt s ASP 98 Cb -0.13 -0.58 -0.03 0.00 1.01 0.00 0.00 42.92 43.19 2fvt s ASP 98 CO 0.02 0.14 -0.03 0.42 0.21 0.00 0.00 175.17 175.93 2fvt s THR 99 N 0.09 3.97 0.15 -1.27 -4.23 -1.26 -2.41 115.64 110.68 2fvt s THR 99 Ca -0.04 -0.51 -0.07 0.00 -1.18 0.00 0.00 61.69 59.88 2fvt s THR 99 Cb -0.11 -2.69 0.03 0.00 1.34 0.00 0.00 72.50 71.06 2fvt s THR 99 CO 0.02 0.50 0.38 1.15 -0.54 0.00 0.00 174.62 176.13 2fvt n MET 100 N 1.86 0.45 -1.95 3.99 0.00 -0.52 -4.90 117.12 116.06 2fvt n MET 100 Ca -0.17 -0.90 -0.35 0.00 0.00 0.00 0.00 57.70 56.28 2fvt n MET 100 Cb 0.53 1.14 0.04 0.00 0.00 0.00 0.00 33.22 34.93 2fvt n MET 100 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2fvt s GLN 101 N -2.03 2.91 0.46 3.17 -0.21 -1.26 -0.32 119.66 122.37 2fvt s GLN 101 Ca 0.08 1.72 0.15 0.00 0.02 0.00 0.00 55.36 57.33 2fvt s GLN 101 Cb -0.02 -1.93 1.04 0.00 1.00 0.00 0.00 33.01 33.10 2fvt s GLN 101 CO 0.05 -1.23 2.01 1.15 -2.12 0.00 0.00 175.29 175.14 2fvt h THR 102 N 0.67 1.10 0.21 -0.19 2.02 -1.29 -2.25 112.91 113.18 2fvt h THR 102 Ca -0.49 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.11 2fvt h THR 102 Cb 1.28 1.31 -0.00 0.00 -1.74 0.00 0.00 68.15 69.00 2fvt h THR 102 CO 0.55 0.16 -0.15 1.23 0.37 0.00 0.00 175.52 177.68 2fvt h GLY 103 N 0.51 -0.66 1.70 2.16 0.00 -1.92 0.37 103.07 105.23 2fvt h GLY 103 Ca -0.00 0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.65 2fvt h GLY 103 CO 0.02 -0.23 0.11 -0.56 0.00 0.00 0.00 176.54 175.88 2fvt h PRO 104 N -0.34 0.00 -0.04 4.80 0.13 -1.96 -2.58 132.00 132.01 2fvt h PRO 104 Ca -0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2fvt h PRO 104 Cb 0.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.41 2fvt h PRO 104 CO 0.02 0.00 0.01 0.00 -0.23 0.00 0.00 178.00 177.80 2fvt h ALA 105 N 1.90 0.06 -0.64 -0.56 0.00 -1.10 -0.80 119.26 118.12 2fvt h ALA 105 Ca 0.06 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2fvt h ALA 105 Cb 0.29 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2fvt h ALA 105 CO -0.00 -0.35 0.39 0.82 0.00 0.00 0.00 179.25 180.12 2fvt h ILE 106 N -0.12 1.08 0.20 0.00 2.04 -0.54 0.75 117.51 120.92 2fvt h ILE 106 Ca 0.01 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2fvt h ILE 106 Cb 0.19 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 2fvt h ILE 106 CO -0.00 0.14 -0.20 0.03 0.00 0.00 0.00 178.15 178.12 2fvt h ARG 107 N 0.77 -0.41 -0.50 2.37 3.08 -1.33 0.19 114.38 118.54 2fvt h ARG 107 Ca 0.26 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.30 2fvt h ARG 107 Cb 0.02 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2fvt h ARG 107 CO -0.10 -0.28 0.19 1.15 -1.07 0.00 0.00 179.97 179.86 2fvt h THR 108 N -0.43 1.22 -0.18 2.04 2.02 -0.89 -2.72 112.91 113.97 2fvt h THR 108 Ca 0.00 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 2fvt h THR 108 Cb 0.41 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 2fvt h THR 108 CO -0.05 0.26 0.07 0.22 0.37 0.00 0.00 175.52 176.38 2fvt h TYR 109 N 0.68 0.27 -0.42 3.16 3.20 -0.71 -0.90 116.97 122.25 2fvt h TYR 109 Ca 0.17 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.09 2fvt h TYR 109 Cb 0.22 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.35 2fvt h TYR 109 CO 0.01 0.34 0.04 -0.97 -1.64 0.00 0.00 178.16 175.94 2fvt h ASN 110 N 0.12 -0.10 -0.08 -2.11 -0.73 -0.49 0.47 115.58 112.67 2fvt h ASN 110 Ca 0.06 0.09 -0.03 0.00 1.87 0.00 0.00 56.30 58.28 2fvt h ASN 110 Cb 0.19 0.14 -0.00 0.00 0.27 0.00 0.00 38.32 38.92 2fvt h ASN 110 CO -0.00 -0.01 -0.08 0.40 -0.37 0.00 0.00 177.43 177.36 2fvt h ILE 111 N 0.15 1.36 -0.53 2.57 2.04 -1.45 -2.92 117.51 118.73 2fvt h ILE 111 Ca 0.21 -1.22 -0.05 0.00 1.00 0.00 0.00 64.86 64.80 2fvt h ILE 111 Cb 0.29 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 2fvt h ILE 111 CO -0.32 0.34 0.14 -0.03 0.00 0.00 0.00 178.15 178.28 2fvt h MET 112 N -0.21 0.85 0.00 2.37 4.05 -0.72 -1.01 114.93 120.25 2fvt h MET 112 Ca 0.01 -0.20 -0.07 0.00 -0.28 0.00 0.00 59.70 59.16 2fvt h MET 112 Cb 0.59 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 2fvt h MET 112 CO 0.02 0.80 -0.35 0.97 0.23 0.00 0.00 176.91 178.58 2fvt h ILE 113 N 0.75 1.11 0.08 1.77 6.09 -0.14 0.39 117.51 127.56 2fvt h ILE 113 Ca 0.17 -1.27 -0.21 0.00 -1.37 0.00 0.00 64.86 62.18 2fvt h ILE 113 Cb 0.33 1.71 0.02 0.00 0.47 0.00 0.00 36.82 39.35 2fvt h ILE 113 CO 0.00 0.35 -0.87 1.23 -3.07 0.00 0.00 178.15 175.79 2fvt h GLY 114 N 1.29 0.50 0.28 8.18 0.00 -1.27 -3.10 103.07 108.96 2fvt h GLY 114 Ca -0.00 -1.04 -0.01 0.00 0.00 0.00 0.00 47.33 46.28 2fvt h GLY 114 CO 0.05 0.91 -0.13 -2.09 0.00 0.00 0.00 176.54 175.28 2fvt h GLU 115 N -0.06 -0.36 0.00 4.80 4.81 -1.00 -3.42 114.58 119.35 2fvt h GLU 115 Ca -0.13 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2fvt h GLU 115 Cb 1.60 0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.06 2fvt h GLU 115 CO 0.17 -0.24 -0.66 0.54 -0.73 0.00 0.00 179.01 178.09 2fvt n ARG 116 N -4.95 2.16 -3.66 1.92 1.74 -0.15 -5.01 116.66 108.71 2fvt n ARG 116 Ca -0.05 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.77 2fvt n ARG 116 Cb 0.15 -0.82 -0.02 0.00 -1.02 0.00 0.00 32.46 30.74 2fvt n ARG 116 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2fvt n ARG 117 N -1.26 -2.70 -0.75 5.56 1.85 0.12 -4.80 116.66 114.68 2fvt n ARG 117 Ca 0.00 0.31 -0.03 0.00 -1.00 0.00 0.00 57.85 57.13 2fvt n ARG 117 Cb 0.00 -4.97 0.23 0.00 -1.05 0.00 0.00 32.46 26.67 2fvt n ARG 117 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2fvt n ARG 118 N -3.74 3.13 -4.12 2.89 3.00 -1.26 -4.80 116.66 111.76 2fvt n ARG 118 Ca 0.03 -2.27 -0.15 0.00 -0.00 0.00 0.00 57.85 55.46 2fvt n ARG 118 Cb 0.51 -1.99 -0.12 0.00 0.00 0.00 0.00 32.46 30.86 2fvt n ARG 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2fvt s VAL 119 N -2.34 0.78 0.01 5.15 0.11 -1.26 -2.38 120.40 120.48 2fvt s VAL 119 Ca 0.41 -1.14 0.07 0.00 -2.93 0.00 0.00 61.98 58.38 2fvt s VAL 119 Cb 0.32 -0.80 -0.02 0.00 -1.53 0.00 0.00 36.38 34.35 2fvt s VAL 119 CO 0.10 -0.29 -0.21 0.00 -3.33 0.00 0.00 175.10 171.37 2fvt s ALA 120 N -1.29 1.75 -0.19 1.54 0.00 -0.24 -4.23 121.76 119.10 2fvt s ALA 120 Ca -0.06 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 2fvt s ALA 120 Cb -0.10 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.63 2fvt s ALA 120 CO 0.01 0.41 -0.14 0.00 0.00 0.00 0.00 175.76 176.04 2fvt s ALA 121 N -0.62 2.50 -0.56 0.00 0.00 -0.11 -1.14 121.76 121.83 2fvt s ALA 121 Ca 0.08 -1.20 -0.10 0.00 0.00 0.00 0.00 51.96 50.74 2fvt s ALA 121 Cb -0.08 -1.37 0.14 0.00 0.00 0.00 0.00 23.12 21.81 2fvt s ALA 121 CO 0.00 -0.37 0.45 0.00 0.00 0.00 0.00 175.76 175.84 2fvt s ALA 122 N 1.35 3.57 -0.18 0.00 0.00 0.43 0.06 121.76 126.99 2fvt s ALA 122 Ca 0.05 -2.76 -0.06 0.00 0.00 0.00 0.00 51.96 49.19 2fvt s ALA 122 Cb -0.13 -2.99 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 2fvt s ALA 122 CO -0.09 -2.01 0.03 -0.51 0.00 0.00 0.00 175.76 173.18 2fvt s LEU 123 N 1.03 3.58 -0.03 0.00 1.43 -0.74 -1.30 118.68 122.65 2fvt s LEU 123 Ca 0.09 -0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.14 2fvt s LEU 123 Cb -0.23 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 2fvt s LEU 123 CO -0.02 0.14 0.11 -0.63 0.23 0.00 0.00 176.35 176.19 2fvt s ILE 124 N 0.54 5.00 0.66 -0.59 1.01 0.29 -1.32 121.20 126.78 2fvt s ILE 124 Ca 0.01 -0.23 -0.13 0.00 0.00 0.00 0.00 60.65 60.29 2fvt s ILE 124 Cb -0.13 -3.27 -0.00 0.00 0.01 0.00 0.00 42.46 39.06 2fvt s ILE 124 CO 0.02 0.41 1.08 0.00 0.00 0.00 0.00 174.94 176.44 2fvt s ALA 125 N -1.18 2.58 0.23 9.38 0.00 0.11 -3.70 121.76 129.18 2fvt s ALA 125 Ca 0.22 0.33 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 2fvt s ALA 125 Cb -0.12 -3.24 -0.09 0.00 0.00 0.00 0.00 23.12 19.67 2fvt s ALA 125 CO 0.13 -1.18 1.13 0.14 0.00 0.00 0.00 175.76 175.98 2fvt s VAL 126 N -2.65 3.58 0.27 0.00 -7.23 -1.26 -4.53 120.40 108.58 2fvt s VAL 126 Ca 0.63 1.46 -0.30 0.00 -1.81 0.00 0.00 61.98 61.95 2fvt s VAL 126 Cb -0.17 -3.93 -0.11 0.00 0.56 0.00 0.00 36.38 32.73 2fvt s VAL 126 CO 0.46 0.29 1.57 -2.84 -0.31 0.00 0.00 175.10 174.27 2fvt s PRO 127 N -0.87 4.16 -0.17 4.82 0.02 -1.26 -4.43 135.00 137.27 2fvt s PRO 127 Ca 0.48 2.51 -0.17 0.00 0.02 0.00 0.00 61.00 63.83 2fvt s PRO 127 Cb -0.32 -3.05 -0.14 0.00 0.02 0.00 0.00 34.50 31.01 2fvt s PRO 127 CO 0.39 -0.59 0.17 -0.07 -0.33 0.00 0.00 177.00 176.56 2fvt h LEU 128 N 5.16 0.00 -8.14 -5.54 4.07 -1.94 -3.43 115.31 105.48 2fvt h LEU 128 Ca -0.46 -0.39 -0.59 0.00 0.08 0.00 0.00 57.88 56.52 2fvt h LEU 128 Cb 1.22 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.86 2fvt h LEU 128 CO 0.81 1.12 1.44 -0.70 -1.08 0.00 0.00 178.44 180.03 2fvt s GLU 129 N -2.23 3.53 -1.06 1.13 2.12 -1.26 -4.91 118.70 116.01 2fvt s GLU 129 Ca -0.21 -1.00 -0.22 0.00 0.36 0.00 0.00 54.97 53.90 2fvt s GLU 129 Cb 0.03 -5.21 0.04 0.00 0.26 0.00 0.00 34.13 29.25 2fvt s GLU 129 CO 0.45 -2.22 1.58 -3.38 -0.54 0.00 0.00 175.26 171.15 2fvt s HIS 130 N 5.14 2.48 -0.02 5.30 -3.43 -1.26 -4.86 115.29 118.63 2fvt s HIS 130 Ca 0.45 -0.78 0.00 0.00 -0.80 0.00 0.00 55.06 53.93 2fvt s HIS 130 Cb -0.01 -4.62 0.02 0.00 -1.43 0.00 0.00 32.58 26.55 2fvt s HIS 130 CO -0.07 -1.87 1.65 1.58 -2.00 0.00 0.00 174.74 174.03 2fvt n HIS 131 N 9.54 0.13 0.00 0.38 -0.00 -1.26 -4.76 115.22 119.25 2fvt n HIS 131 Ca 0.37 -0.89 0.00 0.00 0.46 0.00 0.00 57.72 57.66 2fvt n HIS 131 Cb 0.49 -0.44 0.00 0.00 -0.12 0.00 0.00 29.99 29.92 2fvt n HIS 131 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2fvt n HIS 132 N 1.05 0.00 -2.67 1.57 -0.00 -1.26 -4.93 115.22 108.98 2fvt n HIS 132 Ca 0.03 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.40 2fvt n HIS 132 Cb 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.46 2fvt n HIS 132 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2fvt s HIS 133 N 0.00 3.29 0.26 1.57 5.04 -1.26 -5.04 115.29 119.14 2fvt s HIS 133 Ca 0.00 1.64 -0.10 0.00 -1.54 0.00 0.00 55.06 55.07 2fvt s HIS 133 Cb 0.00 -2.99 -0.07 0.00 0.04 0.00 0.00 32.58 29.55 2fvt s HIS 133 CO 0.00 -0.37 0.58 -1.58 -2.34 0.00 0.00 174.74 171.03 2fvt s HIS 134 N -1.88 3.43 -2.51 3.88 2.46 -1.26 -5.05 115.29 114.36 2fvt s HIS 134 Ca 0.60 0.89 0.28 0.00 0.47 0.00 0.00 55.06 57.30 2fvt s HIS 134 Cb -0.16 -2.28 1.03 0.00 -0.13 0.00 0.00 32.58 31.04 2fvt s HIS 134 CO 0.21 0.22 1.73 1.58 -2.47 0.00 0.00 174.74 176.01