#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f3y s PHE 5 N 0.00 1.63 -0.21 2.11 0.08 -1.26 -4.38 117.98 115.94 3f3y s PHE 5 Ca 0.00 -0.84 -0.24 0.00 0.12 0.00 0.00 56.93 55.97 3f3y s PHE 5 Cb 0.00 -0.92 -0.01 0.00 -0.57 0.00 0.00 43.02 41.51 3f3y s PHE 5 CO 0.00 0.06 0.78 -1.17 -0.10 0.00 0.00 175.22 174.79 3f3y s LEU 6 N -3.32 4.12 -0.20 -0.37 2.96 -0.07 -4.91 118.68 116.89 3f3y s LEU 6 Ca 0.27 1.03 -0.08 0.00 -0.22 0.00 0.00 54.13 55.13 3f3y s LEU 6 Cb 0.05 -3.13 -0.04 0.00 0.50 0.00 0.00 46.19 43.56 3f3y s LEU 6 CO 0.09 -0.42 0.09 0.26 -1.32 0.00 0.00 176.35 175.04 3f3y s TRP 7 N 2.41 3.26 -0.12 5.38 0.52 -1.26 -0.16 118.94 128.97 3f3y s TRP 7 Ca 0.34 0.07 -0.05 0.00 0.02 0.00 0.00 56.10 56.48 3f3y s TRP 7 Cb -0.16 -2.15 0.05 0.00 -1.15 0.00 0.00 33.47 30.07 3f3y s TRP 7 CO 0.10 0.08 0.27 0.12 0.02 0.00 0.00 176.95 177.54 3f3y s PHE 8 N 0.68 -0.39 -1.73 -1.98 5.36 -0.96 -4.91 117.98 114.05 3f3y s PHE 8 Ca 0.05 0.89 -0.19 0.00 -0.96 0.00 0.00 56.93 56.72 3f3y s PHE 8 Cb -0.13 0.04 0.17 0.00 -0.34 0.00 0.00 43.02 42.76 3f3y s PHE 8 CO 0.01 -0.28 0.76 0.39 -1.46 0.00 0.00 175.22 174.64 3f3y n GLU 9 N 4.61 -2.81 -0.97 10.12 -0.58 -1.26 -1.43 120.64 128.32 3f3y n GLU 9 Ca -0.19 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 3f3y n GLU 9 Cb 0.52 -5.04 0.00 0.00 -0.57 0.00 0.00 31.44 26.35 3f3y n GLU 9 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3f3y n GLY 10 N -1.35 0.96 3.50 0.62 0.00 -1.26 -5.01 105.19 102.65 3f3y n GLY 10 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 3f3y n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f3y s ILE 11 N -3.83 3.43 0.16 -0.61 -1.09 -0.51 -4.94 121.20 113.82 3f3y s ILE 11 Ca 0.00 -0.56 -0.28 0.00 -2.23 0.00 0.00 60.65 57.57 3f3y s ILE 11 Cb 0.00 -2.41 -0.07 0.00 -1.58 0.00 0.00 42.46 38.40 3f3y s ILE 11 CO 0.00 0.57 0.88 0.00 -1.23 0.00 0.00 174.94 175.16 3f3y s ALA 12 N -0.42 3.34 0.10 9.38 0.00 -1.26 -2.26 121.76 130.63 3f3y s ALA 12 Ca 0.06 0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.57 3f3y s ALA 12 Cb -0.12 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 3f3y s ALA 12 CO 0.02 0.14 -0.13 -0.06 0.00 0.00 0.00 175.76 175.73 3f3y s PHE 13 N -0.69 1.25 0.70 0.00 0.40 0.77 0.02 117.98 120.44 3f3y s PHE 13 Ca 0.41 -0.54 -0.16 0.00 -0.60 0.00 0.00 56.93 56.04 3f3y s PHE 13 Cb -0.24 -0.68 -0.00 0.00 0.51 0.00 0.00 43.02 42.61 3f3y s PHE 13 CO 0.29 0.08 1.02 -2.30 0.70 0.00 0.00 175.22 175.00 3f3y n PRO 14 N 0.84 0.62 0.00 0.24 -0.02 -1.26 -0.89 135.00 134.53 3f3y n PRO 14 Ca -0.18 0.27 0.15 0.00 -2.02 0.00 0.00 63.50 61.71 3f3y n PRO 14 Cb 0.56 -2.26 0.74 0.00 -0.02 0.00 0.00 33.50 32.52 3f3y n PRO 14 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3f3y n THR 15 N -2.36 0.01 -5.17 3.45 -2.24 -1.26 -4.30 114.28 102.41 3f3y n THR 15 Ca 0.14 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.61 3f3y n THR 15 Cb 0.49 -0.51 -0.17 0.00 -2.10 0.00 0.00 70.33 68.05 3f3y n THR 15 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3f3y s MET 16 N -2.61 2.54 0.00 -0.78 -1.94 -1.26 -4.76 119.30 110.49 3f3y s MET 16 Ca 0.27 -0.84 0.00 0.00 -1.71 0.00 0.00 55.69 53.41 3f3y s MET 16 Cb 0.20 -2.08 0.00 0.00 2.01 0.00 0.00 34.83 34.96 3f3y s MET 16 CO 0.46 0.30 0.00 0.41 -0.01 0.00 0.00 175.02 176.18 3f3y n GLY 17 N 3.15 0.77 3.12 -0.03 0.00 -1.26 -5.03 105.19 105.92 3f3y n GLY 17 Ca -0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 3f3y n GLY 17 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f3y s PHE 18 N -3.06 1.24 0.01 1.61 0.40 -1.26 -1.60 117.98 115.31 3f3y s PHE 18 Ca 0.00 -0.28 0.01 0.00 -0.60 0.00 0.00 56.93 56.06 3f3y s PHE 18 Cb 0.00 -0.77 -0.01 0.00 0.51 0.00 0.00 43.02 42.75 3f3y s PHE 18 CO 0.00 0.01 -0.05 1.03 0.70 0.00 0.00 175.22 176.91 3f3y s ARG 19 N -0.68 0.35 0.24 0.44 0.52 -1.26 -4.97 118.95 113.60 3f3y s ARG 19 Ca 0.04 -0.29 -0.06 0.00 -0.52 0.00 0.00 55.73 54.90 3f3y s ARG 19 Cb -0.06 -0.27 0.27 0.00 0.52 0.00 0.00 34.95 35.41 3f3y s ARG 19 CO 0.00 0.07 1.91 0.77 0.02 0.00 0.00 175.30 178.07 3f3y h SER 20 N 5.65 1.06 -0.70 0.23 0.02 -1.99 -1.72 113.55 116.11 3f3y h SER 20 Ca -0.29 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 3f3y h SER 20 Cb 1.20 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.45 3f3y h SER 20 CO 0.48 0.75 0.38 -0.33 -1.14 0.00 0.00 176.83 176.97 3f3y h GLU 21 N 1.24 0.97 -0.62 3.45 3.07 -2.00 -1.48 114.58 119.21 3f3y h GLU 21 Ca 0.36 -0.11 -0.08 0.00 -0.50 0.00 0.00 59.36 59.03 3f3y h GLU 21 Cb -0.07 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.62 3f3y h GLU 21 CO -0.10 0.73 0.07 1.15 -1.40 0.00 0.00 179.01 179.45 3f3y h THR 22 N 0.96 1.26 -0.09 1.13 2.02 -1.86 -2.67 112.91 113.67 3f3y h THR 22 Ca 0.24 -1.07 -0.08 0.00 0.77 0.00 0.00 66.41 66.28 3f3y h THR 22 Cb 0.04 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3f3y h THR 22 CO -0.04 0.39 -0.33 -0.07 0.37 0.00 0.00 175.52 175.85 3f3y h LEU 23 N 0.96 0.17 -0.26 2.58 3.38 -0.99 0.20 115.31 121.35 3f3y h LEU 23 Ca 0.18 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3f3y h LEU 23 Cb 0.48 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3f3y h LEU 23 CO 0.02 0.50 0.01 -0.09 0.09 0.00 0.00 178.44 178.97 3f3y h ARG 24 N 0.15 0.45 -0.32 1.13 9.65 -1.22 -2.92 114.38 121.31 3f3y h ARG 24 Ca 0.02 -0.14 -0.04 0.00 -1.10 0.00 0.00 59.98 58.72 3f3y h ARG 24 Cb 0.66 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.18 3f3y h ARG 24 CO 0.05 0.61 0.05 0.87 2.80 0.00 0.00 179.97 184.34 3f3y h LYS 25 N 0.24 0.53 -0.99 0.20 1.57 -1.06 -1.09 116.57 115.98 3f3y h LYS 25 Ca 0.08 -0.15 0.18 0.00 -1.87 0.00 0.00 60.65 58.89 3f3y h LYS 25 Cb 0.40 -0.06 -0.18 0.00 0.08 0.00 0.00 32.23 32.47 3f3y h LYS 25 CO 0.01 0.63 -0.30 0.28 -0.57 0.00 0.00 179.45 179.50 3f3y h VAL 26 N 0.35 0.01 -0.10 0.50 2.07 -0.70 0.65 116.25 119.04 3f3y h VAL 26 Ca 0.10 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.38 3f3y h VAL 26 Cb 0.36 0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3f3y h VAL 26 CO 0.01 0.00 -0.87 -0.09 0.02 0.00 0.00 177.57 176.64 3f3y h ARG 27 N -0.00 0.74 0.00 1.57 9.65 -1.28 -3.27 114.38 121.79 3f3y h ARG 27 Ca 0.43 -0.66 -0.36 0.00 -1.10 0.00 0.00 59.98 58.28 3f3y h ARG 27 Cb 0.68 0.16 -0.07 0.00 -1.39 0.00 0.00 29.97 29.35 3f3y h ARG 27 CO -1.01 1.26 -2.36 -0.25 2.80 0.00 0.00 179.97 180.41 3f3y n ASP 28 N -3.90 0.58 -0.01 -3.80 8.00 -0.44 0.39 116.55 117.37 3f3y n ASP 28 Ca -0.08 -0.03 0.01 0.00 0.71 0.00 0.00 54.79 55.40 3f3y n ASP 28 Cb 0.79 0.68 -0.04 0.00 -0.02 0.00 0.00 41.12 42.53 3f3y n ASP 28 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3f3y n GLU 29 N -2.84 0.81 -2.24 -1.24 1.02 0.22 -4.87 120.64 111.50 3f3y n GLU 29 Ca -0.35 -0.04 -0.41 0.00 -0.02 0.00 0.00 57.16 56.34 3f3y n GLU 29 Cb 1.10 -1.11 -0.03 0.00 -0.02 0.00 0.00 31.44 31.38 3f3y n GLU 29 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3f3y s PHE 30 N -2.29 3.28 -0.26 -0.32 5.36 -0.49 -4.96 117.98 118.31 3f3y s PHE 30 Ca -0.02 1.25 -0.13 0.00 -0.96 0.00 0.00 56.93 57.06 3f3y s PHE 30 Cb 0.03 -3.58 -0.04 0.00 -0.34 0.00 0.00 43.02 39.08 3f3y s PHE 30 CO 0.20 -1.79 0.30 0.08 -1.46 0.00 0.00 175.22 172.55 3f3y s VAL 31 N 0.10 5.24 -0.16 3.12 1.01 -1.26 -4.29 120.40 124.16 3f3y s VAL 31 Ca 0.56 0.44 -0.14 0.00 0.00 0.00 0.00 61.98 62.84 3f3y s VAL 31 Cb -0.36 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 3f3y s VAL 31 CO 0.38 0.23 0.29 -0.63 0.00 0.00 0.00 175.10 175.36 3f3y s ILE 32 N 1.71 5.31 0.14 2.22 -1.09 -1.26 -5.02 121.20 123.21 3f3y s ILE 32 Ca 0.13 0.54 -0.02 0.00 -2.23 0.00 0.00 60.65 59.07 3f3y s ILE 32 Cb -0.15 -3.63 -0.05 0.00 -1.58 0.00 0.00 42.46 37.05 3f3y s ILE 32 CO 0.09 0.39 0.34 -0.13 -1.23 0.00 0.00 174.94 174.39 3f3y s ARG 33 N 0.48 3.53 0.47 2.79 0.52 -1.26 -4.88 118.95 120.61 3f3y s ARG 33 Ca 0.16 -0.28 0.32 0.00 -0.52 0.00 0.00 55.73 55.41 3f3y s ARG 33 Cb -0.13 -2.89 1.66 0.00 0.52 0.00 0.00 34.95 34.11 3f3y s ARG 33 CO 0.04 0.48 1.98 -0.44 0.02 0.00 0.00 175.30 177.37 3f3y h ASP 34 N 2.57 0.00 0.72 0.23 3.32 -1.96 -2.89 116.42 118.41 3f3y h ASP 34 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3f3y h ASP 34 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3f3y h ASP 34 CO 0.72 0.00 -1.00 -0.62 -1.72 0.00 0.00 179.24 176.62 3f3y n GLU 35 N -2.66 0.44 -1.64 3.56 4.71 -1.26 -3.66 120.64 120.13 3f3y n GLU 35 Ca -0.01 0.05 -0.43 0.00 -0.01 0.00 0.00 57.16 56.75 3f3y n GLU 35 Cb 0.10 -1.70 -0.01 0.00 -1.01 0.00 0.00 31.44 28.82 3f3y n GLU 35 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3f3y n ASP 36 N -2.30 1.95 -4.20 1.62 10.43 -1.09 -4.39 116.55 118.57 3f3y n ASP 36 Ca 0.01 1.19 -0.34 0.00 2.57 0.00 0.00 54.79 58.22 3f3y n ASP 36 Cb 0.49 -1.38 -0.15 0.00 1.84 0.00 0.00 41.12 41.92 3f3y n ASP 36 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3f3y s VAL 37 N -1.09 2.54 -0.12 2.53 1.01 -0.03 -2.09 120.40 123.16 3f3y s VAL 37 Ca 0.57 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.80 3f3y s VAL 37 Cb -0.63 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 33.65 3f3y s VAL 37 CO 0.61 0.50 -0.21 -0.63 0.00 0.00 0.00 175.10 175.37 3f3y s ILE 38 N 1.27 2.26 -0.22 2.22 1.01 -0.01 -1.83 121.20 125.90 3f3y s ILE 38 Ca 0.03 -0.93 -0.17 0.00 0.00 0.00 0.00 60.65 59.58 3f3y s ILE 38 Cb -0.14 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 3f3y s ILE 38 CO -0.08 0.55 0.47 -0.63 0.00 0.00 0.00 174.94 175.25 3f3y s ILE 39 N 0.53 5.13 -0.34 2.92 1.01 0.57 -0.32 121.20 130.70 3f3y s ILE 39 Ca -0.13 0.84 -0.06 0.00 0.00 0.00 0.00 60.65 61.30 3f3y s ILE 39 Cb -0.17 -3.80 0.04 0.00 0.01 0.00 0.00 42.46 38.55 3f3y s ILE 39 CO 0.05 0.17 0.09 -0.76 0.00 0.00 0.00 174.94 174.49 3f3y s LEU 40 N 1.75 4.28 0.06 2.97 1.43 -0.37 -0.07 118.68 128.74 3f3y s LEU 40 Ca 0.21 -1.18 0.05 0.00 -1.03 0.00 0.00 54.13 52.18 3f3y s LEU 40 Cb -0.15 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 3f3y s LEU 40 CO 0.09 -0.32 -0.15 0.42 0.23 0.00 0.00 176.35 176.62 3f3y s THR 41 N 1.38 1.19 0.15 5.49 -4.23 -0.61 -1.59 115.64 117.41 3f3y s THR 41 Ca -0.02 -1.19 -0.30 0.00 -1.18 0.00 0.00 61.69 58.99 3f3y s THR 41 Cb -0.20 -1.11 -0.07 0.00 1.34 0.00 0.00 72.50 72.47 3f3y s THR 41 CO 0.02 -0.09 1.14 -0.47 -0.54 0.00 0.00 174.62 174.67 3f3y s TYR 42 N -1.06 3.53 0.23 3.99 5.04 -1.26 -3.91 117.35 123.90 3f3y s TYR 42 Ca 0.01 1.50 -0.31 0.00 -2.44 0.00 0.00 57.07 55.83 3f3y s TYR 42 Cb -0.09 -3.33 -0.14 0.00 0.35 0.00 0.00 41.96 38.75 3f3y s TYR 42 CO 0.02 -0.85 1.34 -2.30 -1.34 0.00 0.00 175.55 172.42 3f3y n PRO 43 N 2.78 1.83 -1.37 4.97 -0.02 -1.26 -2.26 135.00 139.67 3f3y n PRO 43 Ca 0.04 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3f3y n PRO 43 Cb 0.46 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3f3y n PRO 43 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3f3y n LYS 44 N 1.88 0.00 -0.23 -0.52 4.76 -1.26 -4.90 118.16 117.89 3f3y n LYS 44 Ca 0.12 0.23 0.11 0.00 -2.87 0.00 0.00 58.31 55.90 3f3y n LYS 44 Cb 0.30 -3.44 0.23 0.00 -1.84 0.00 0.00 35.03 30.28 3f3y n LYS 44 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3f3y n SER 45 N 1.83 3.52 0.00 4.39 7.64 -0.96 -4.59 113.62 125.45 3f3y n SER 45 Ca 0.00 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.90 3f3y n SER 45 Cb 0.23 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 3f3y n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3f3y n GLY 46 N 1.45 1.47 0.26 0.23 0.00 -1.26 -4.58 105.19 102.75 3f3y n GLY 46 Ca 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.16 3f3y n GLY 46 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3f3y h THR 47 N 0.00 0.40 -0.19 2.61 2.02 -1.91 -1.92 112.91 113.92 3f3y h THR 47 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 3f3y h THR 47 Cb 0.00 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3f3y h THR 47 CO 0.00 0.00 -0.03 0.78 0.37 0.00 0.00 175.52 176.64 3f3y h ASN 48 N -0.15 0.36 -0.98 4.18 4.21 -1.98 -0.84 115.58 120.38 3f3y h ASN 48 Ca 0.18 -0.35 0.14 0.00 1.21 0.00 0.00 56.30 57.49 3f3y h ASN 48 Cb 0.44 -0.10 -0.15 0.00 -1.12 0.00 0.00 38.32 37.39 3f3y h ASN 48 CO -0.47 0.63 -0.42 -0.25 -1.29 0.00 0.00 177.43 175.64 3f3y h TRP 49 N 0.09 -1.20 -0.17 1.19 7.01 -1.90 -1.73 115.95 119.24 3f3y h TRP 49 Ca 0.05 0.11 -0.15 0.00 2.11 0.00 0.00 58.89 61.01 3f3y h TRP 49 Cb 0.46 0.66 -0.01 0.00 -2.10 0.00 0.00 29.16 28.18 3f3y h TRP 49 CO 0.05 -0.40 -0.53 1.25 -2.79 0.00 0.00 178.44 176.02 3f3y h LEU 50 N -0.01 0.55 -1.13 0.65 5.85 -1.05 -1.54 115.31 118.63 3f3y h LEU 50 Ca 0.32 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3f3y h LEU 50 Cb 0.57 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 3f3y h LEU 50 CO -0.97 0.97 0.59 0.00 -0.34 0.00 0.00 178.44 178.69 3f3y h ALA 51 N 1.04 1.44 -0.05 1.25 0.00 -0.85 0.13 119.26 122.22 3f3y h ALA 51 Ca 0.01 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 3f3y h ALA 51 Cb 1.05 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.54 3f3y h ALA 51 CO 0.10 0.47 -0.76 1.49 0.00 0.00 0.00 179.25 180.54 3f3y h GLU 52 N 1.12 0.60 -0.75 0.00 4.57 -0.55 -0.43 114.58 119.14 3f3y h GLU 52 Ca 0.36 -0.58 0.09 0.00 -1.18 0.00 0.00 59.36 58.05 3f3y h GLU 52 Cb 0.04 0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 28.71 3f3y h GLU 52 CO -0.11 1.20 0.40 0.82 -1.18 0.00 0.00 179.01 180.14 3f3y h ILE 53 N 0.23 0.89 -0.05 2.32 2.04 -0.91 -1.86 117.51 120.16 3f3y h ILE 53 Ca -0.08 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 3f3y h ILE 53 Cb 1.43 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3f3y h ILE 53 CO 0.15 0.12 -0.02 -0.07 0.00 0.00 0.00 178.15 178.34 3f3y h LEU 54 N 0.68 0.11 -1.91 1.44 3.38 -0.40 0.12 115.31 118.73 3f3y h LEU 54 Ca 0.36 -0.40 0.21 0.00 0.09 0.00 0.00 57.88 58.14 3f3y h LEU 54 Cb 0.34 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3f3y h LEU 54 CO -0.25 0.49 0.54 0.00 0.09 0.00 0.00 178.44 179.31 3f3y h LEU 56 N 0.08 0.00 -0.74 0.00 3.38 -0.81 -3.00 115.31 114.21 3f3y h LEU 56 Ca 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.30 3f3y h LEU 56 Cb 1.35 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.07 3f3y h LEU 56 CO -0.03 0.96 0.32 0.24 0.09 0.00 0.00 178.44 180.02 3f3y h MET 57 N 0.00 1.08 -0.35 1.13 2.86 -0.40 0.62 114.93 119.87 3f3y h MET 57 Ca -0.21 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.21 3f3y h MET 57 Cb 1.92 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 33.37 3f3y h MET 57 CO 0.09 0.87 0.04 1.25 1.06 0.00 0.00 176.91 180.21 3f3y h HIS 58 N 1.05 0.54 -0.58 -0.22 -0.00 -1.52 -1.80 115.15 112.62 3f3y h HIS 58 Ca 0.25 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.58 3f3y h HIS 58 Cb 0.17 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.42 3f3y h HIS 58 CO 0.01 0.50 0.00 -1.13 -0.00 0.00 0.00 177.93 177.32 3f3y n SER 59 N -4.31 4.94 -2.37 3.26 3.41 -1.13 -4.95 113.62 112.45 3f3y n SER 59 Ca 0.02 -2.64 -0.16 0.00 -0.26 0.00 0.00 58.87 55.83 3f3y n SER 59 Cb 0.22 -0.60 -0.01 0.00 -0.26 0.00 0.00 64.21 63.56 3f3y n SER 59 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3f3y n LYS 60 N 0.79 -1.97 0.00 4.33 4.76 -0.57 -1.94 118.16 123.55 3f3y n LYS 60 Ca 0.26 0.78 0.00 0.00 -2.87 0.00 0.00 58.31 56.48 3f3y n LYS 60 Cb 0.97 -5.39 0.00 0.00 -1.84 0.00 0.00 35.03 28.77 3f3y n LYS 60 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3f3y n GLY 61 N -0.86 0.57 3.69 0.72 0.00 0.11 -4.58 105.19 104.83 3f3y n GLY 61 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 3f3y n GLY 61 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f3y s ASP 62 N -2.02 6.99 0.00 1.61 -1.08 -0.82 -4.53 116.67 116.82 3f3y s ASP 62 Ca 0.00 1.21 0.28 0.00 -0.52 0.00 0.00 52.55 53.52 3f3y s ASP 62 Cb 0.00 -2.45 1.02 0.00 -1.46 0.00 0.00 42.92 40.03 3f3y s ASP 62 CO 0.00 -0.31 1.73 0.00 0.52 0.00 0.00 175.17 177.11 3f3y n ALA 63 N 4.73 2.57 -0.32 3.66 0.00 -1.26 -4.43 120.51 125.47 3f3y n ALA 63 Ca 0.03 -0.45 0.04 0.00 0.00 0.00 0.00 53.44 53.06 3f3y n ALA 63 Cb 0.50 -1.15 0.12 0.00 0.00 0.00 0.00 19.45 18.91 3f3y n ALA 63 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3f3y h LYS 64 N 2.42 0.00 0.04 0.00 3.64 -1.98 -2.33 116.57 118.36 3f3y h LYS 64 Ca 0.00 -0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 3f3y h LYS 64 Cb 0.51 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 3f3y h LYS 64 CO 0.00 0.00 -1.54 -1.49 -2.27 0.00 0.00 179.45 174.15 3f3y h TRP 65 N 0.00 0.17 0.00 1.91 6.55 -1.97 -3.02 115.95 119.59 3f3y h TRP 65 Ca 0.43 -0.12 0.00 0.00 0.95 0.00 0.00 58.89 60.15 3f3y h TRP 65 Cb 0.66 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.96 3f3y h TRP 65 CO -0.70 1.17 0.00 -0.84 -1.05 0.00 0.00 178.44 177.02 3f3y h ILE 66 N 0.03 0.00 -0.01 1.49 3.07 -1.80 0.18 117.51 120.47 3f3y h ILE 66 Ca -0.23 -0.42 0.00 0.00 1.55 0.00 0.00 64.86 65.76 3f3y h ILE 66 Cb 1.97 1.37 0.00 0.00 -0.27 0.00 0.00 36.82 39.89 3f3y h ILE 66 CO 0.11 0.00 -0.51 0.00 -1.05 0.00 0.00 178.15 176.70 3f3y n GLN 67 N -2.95 0.81 0.00 0.16 6.02 -0.89 -4.38 117.38 116.15 3f3y n GLN 67 Ca 0.00 -0.61 0.00 0.00 -0.01 0.00 0.00 57.00 56.38 3f3y n GLN 67 Cb 0.27 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.04 3f3y n GLN 67 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3f3y n SER 68 N -0.56 2.70 -4.26 1.08 3.41 -1.10 -4.76 113.62 110.13 3f3y n SER 68 Ca 0.09 -0.22 -0.32 0.00 -0.26 0.00 0.00 58.87 58.15 3f3y n SER 68 Cb 0.40 0.98 -0.16 0.00 -0.26 0.00 0.00 64.21 65.17 3f3y n SER 68 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3f3y s VAL 69 N -1.52 2.36 0.28 -3.33 1.01 0.03 -5.08 120.40 114.15 3f3y s VAL 69 Ca 0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 3f3y s VAL 69 Cb 0.00 -1.94 -0.14 0.00 0.00 0.00 0.00 36.38 34.31 3f3y s VAL 69 CO 0.00 0.55 1.21 -2.65 0.00 0.00 0.00 175.10 174.20 3f3y n PRO 70 N 3.59 1.71 0.24 2.72 -0.02 -1.26 -4.71 135.00 137.27 3f3y n PRO 70 Ca -0.19 0.60 0.12 0.00 -2.02 0.00 0.00 63.50 62.02 3f3y n PRO 70 Cb 0.53 -2.12 0.74 0.00 -0.02 0.00 0.00 33.50 32.63 3f3y n PRO 70 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3f3y h ILE 71 N 2.49 0.79 -0.06 4.25 2.10 -1.60 -0.92 117.51 124.56 3f3y h ILE 71 Ca -0.43 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.51 3f3y h ILE 71 Cb 1.31 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 37.99 3f3y h ILE 71 CO 0.66 0.00 0.00 -2.67 -1.08 0.00 0.00 178.15 175.06 3f3y n TRP 72 N -4.26 0.07 -0.01 2.19 2.14 -1.26 -1.77 117.44 114.54 3f3y n TRP 72 Ca -0.01 -0.03 0.08 0.00 2.07 0.00 0.00 57.50 59.61 3f3y n TRP 72 Cb 0.17 0.00 -0.14 0.00 -0.81 0.00 0.00 31.31 30.53 3f3y n TRP 72 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 3f3y n GLU 73 N -0.28 0.55 0.05 -2.67 1.02 -0.37 -3.64 120.64 115.30 3f3y n GLU 73 Ca 0.18 -0.16 -0.15 0.00 -0.02 0.00 0.00 57.16 57.01 3f3y n GLU 73 Cb 0.22 -1.42 -0.14 0.00 -0.02 0.00 0.00 31.44 30.08 3f3y n GLU 73 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3f3y h ARG 74 N 0.00 0.19 -2.29 3.49 3.08 -1.32 -3.39 114.38 114.13 3f3y h ARG 74 Ca -0.01 -0.32 -0.58 0.00 0.07 0.00 0.00 59.98 59.14 3f3y h ARG 74 Cb 0.84 0.12 -0.39 0.00 0.08 0.00 0.00 29.97 30.62 3f3y h ARG 74 CO 0.00 1.01 -0.98 0.45 -1.07 0.00 0.00 179.97 179.39 3f3y n SER 75 N -3.38 0.16 -4.71 7.04 2.88 -0.73 -4.62 113.62 110.27 3f3y n SER 75 Ca -0.16 -2.58 -0.30 0.00 -1.33 0.00 0.00 58.87 54.50 3f3y n SER 75 Cb 1.03 -0.60 0.14 0.00 -0.75 0.00 0.00 64.21 64.03 3f3y n SER 75 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3f3y s PRO 76 N -0.57 1.31 -0.32 -1.46 0.04 -1.24 -3.98 135.00 128.79 3f3y s PRO 76 Ca 0.33 0.97 -0.21 0.00 0.04 0.00 0.00 61.00 62.13 3f3y s PRO 76 Cb 0.08 -1.80 -0.00 0.00 0.04 0.00 0.00 34.50 32.81 3f3y s PRO 76 CO -0.16 -2.24 0.68 -1.58 0.04 0.00 0.00 177.00 173.73 3f3y s TRP 77 N -2.87 3.20 0.24 0.56 0.51 -1.26 0.37 118.94 119.69 3f3y s TRP 77 Ca 0.64 0.60 -0.07 0.00 -2.12 0.00 0.00 56.10 55.15 3f3y s TRP 77 Cb -0.19 -3.09 0.24 0.00 -0.81 0.00 0.00 33.47 29.63 3f3y s TRP 77 CO 0.57 -0.53 1.92 -0.24 -0.51 0.00 0.00 176.95 178.15 3f3y h VAL 78 N 5.59 1.25 0.00 4.03 3.04 -1.74 -2.21 116.25 126.22 3f3y h VAL 78 Ca -0.26 -0.48 -0.02 0.00 -1.01 0.00 0.00 66.70 64.93 3f3y h VAL 78 Cb 1.11 -0.16 -0.00 0.00 -2.01 0.00 0.00 31.29 30.22 3f3y h VAL 78 CO 0.83 0.25 -0.11 1.05 -1.01 0.00 0.00 177.57 178.58 3f3y h GLU 79 N 1.32 0.00 -7.17 4.17 9.09 -1.92 -2.86 114.58 117.20 3f3y h GLU 79 Ca 0.35 0.00 -0.49 0.00 0.05 0.00 0.00 59.36 59.28 3f3y h GLU 79 Cb -0.13 0.00 0.05 0.00 -1.65 0.00 0.00 28.75 27.02 3f3y h GLU 79 CO -0.07 0.11 0.38 -1.54 0.05 0.00 0.00 179.01 177.93 3f3y s SER 80 N -5.98 5.97 0.18 3.06 1.04 -0.83 -4.68 113.70 112.46 3f3y s SER 80 Ca -0.02 1.81 -0.13 0.00 0.48 0.00 0.00 55.95 58.09 3f3y s SER 80 Cb 0.12 -2.54 0.15 0.00 0.10 0.00 0.00 66.02 63.86 3f3y s SER 80 CO 0.57 -1.04 1.76 -0.33 0.98 0.00 0.00 173.24 175.18 3f3y h GLU 81 N 0.68 0.38 -0.11 4.02 4.39 -1.59 0.29 114.58 122.64 3f3y h GLU 81 Ca -0.47 -0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.02 3f3y h GLU 81 Cb 1.22 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3f3y h GLU 81 CO 0.58 0.25 -0.69 0.82 -1.16 0.00 0.00 179.01 178.81 3f3y h ILE 82 N 0.39 1.35 -0.02 3.13 2.04 -1.88 -2.48 117.51 120.04 3f3y h ILE 82 Ca 0.23 -2.03 -0.25 0.00 1.00 0.00 0.00 64.86 63.81 3f3y h ILE 82 Cb 0.21 2.01 0.02 0.00 -0.74 0.00 0.00 36.82 38.32 3f3y h ILE 82 CO -0.21 0.62 -0.95 1.23 0.00 0.00 0.00 178.15 178.84 3f3y h GLY 83 N 1.14 0.76 0.66 5.37 0.00 -1.58 -0.22 103.07 109.21 3f3y h GLY 83 Ca -0.02 -1.29 0.08 0.00 0.00 0.00 0.00 47.33 46.09 3f3y h GLY 83 CO 0.12 1.15 0.58 -1.82 0.00 0.00 0.00 176.54 176.57 3f3y h TYR 84 N 0.36 1.07 0.22 5.60 3.20 -0.18 -1.63 116.97 125.60 3f3y h TYR 84 Ca -0.11 0.03 -0.32 0.00 3.14 0.00 0.00 58.73 61.47 3f3y h TYR 84 Cb 1.61 -0.34 0.04 0.00 1.54 0.00 0.00 36.73 39.57 3f3y h TYR 84 CO 0.11 0.52 -1.39 1.15 -1.64 0.00 0.00 178.16 176.90 3f3y h THR 85 N 1.02 1.30 -0.36 1.81 2.02 -1.35 -3.30 112.91 114.05 3f3y h THR 85 Ca 0.42 -2.63 -0.13 0.00 0.77 0.00 0.00 66.41 64.83 3f3y h THR 85 Cb 0.24 2.98 -0.01 0.00 -1.74 0.00 0.00 68.15 69.62 3f3y h THR 85 CO -0.20 0.79 -0.29 0.00 0.37 0.00 0.00 175.52 176.19 3f3y h ALA 86 N 0.17 0.80 -0.37 6.16 0.00 -0.87 -3.33 119.26 121.83 3f3y h ALA 86 Ca -0.24 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.21 3f3y h ALA 86 Cb 2.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 3f3y h ALA 86 CO 0.26 0.65 0.02 -0.07 0.00 0.00 0.00 179.25 180.10 3f3y h LEU 87 N 0.66 0.62 -2.60 0.00 3.38 -1.37 -2.16 115.31 113.83 3f3y h LEU 87 Ca 0.08 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3f3y h LEU 87 Cb 0.82 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3f3y h LEU 87 CO 0.07 0.76 -0.01 0.77 0.09 0.00 0.00 178.44 180.12 3f3y h SER 88 N 0.46 0.00 -0.10 -0.43 4.64 -1.67 -1.34 113.55 115.11 3f3y h SER 88 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3f3y h SER 88 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3f3y h SER 88 CO 0.02 0.01 0.00 -0.62 -0.87 0.00 0.00 176.83 175.37 3f3y n GLU 89 N -3.34 1.82 -3.86 4.77 -0.58 -0.83 -4.94 120.64 113.68 3f3y n GLU 89 Ca -0.03 -1.21 -0.35 0.00 -0.42 0.00 0.00 57.16 55.15 3f3y n GLU 89 Cb 0.11 -1.45 -0.08 0.00 -0.57 0.00 0.00 31.44 29.45 3f3y n GLU 89 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3f3y s THR 90 N -1.89 5.27 0.54 2.62 2.01 -0.51 -5.08 115.64 118.60 3f3y s THR 90 Ca 0.35 0.13 -0.18 0.00 0.31 0.00 0.00 61.69 62.30 3f3y s THR 90 Cb 0.20 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 69.29 3f3y s THR 90 CO 0.30 0.50 1.05 -1.61 -0.69 0.00 0.00 174.62 174.17 3f3y s GLU 91 N -0.09 3.58 0.66 4.92 2.02 -1.26 -4.95 118.70 123.58 3f3y s GLU 91 Ca 0.09 1.28 -0.15 0.00 0.02 0.00 0.00 54.97 56.21 3f3y s GLU 91 Cb -0.12 -2.07 0.00 0.00 0.10 0.00 0.00 34.13 32.05 3f3y s GLU 91 CO 0.00 -0.61 1.13 -1.12 0.02 0.00 0.00 175.26 174.68 3f3y s SER 92 N -2.38 4.99 -0.07 -0.19 0.01 -1.26 -4.16 113.70 110.64 3f3y s SER 92 Ca 0.65 2.07 -0.22 0.00 1.31 0.00 0.00 55.95 59.76 3f3y s SER 92 Cb -0.16 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 3f3y s SER 92 CO 0.28 -1.72 0.66 -2.16 0.41 0.00 0.00 173.24 170.71 3f3y s PRO 93 N -4.01 4.42 -0.06 12.44 0.04 -1.26 -5.15 135.00 141.43 3f3y s PRO 93 Ca 0.69 0.80 -0.18 0.00 0.04 0.00 0.00 61.00 62.34 3f3y s PRO 93 Cb -0.22 -3.44 -0.05 0.00 0.04 0.00 0.00 34.50 30.83 3f3y s PRO 93 CO 0.41 0.10 0.50 1.03 0.04 0.00 0.00 177.00 179.08 3f3y s ARG 94 N 0.72 4.25 -0.13 4.56 0.52 -1.26 -4.98 118.95 122.64 3f3y s ARG 94 Ca 0.35 0.54 -0.05 0.00 -0.52 0.00 0.00 55.73 56.05 3f3y s ARG 94 Cb -0.17 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 3f3y s ARG 94 CO 0.17 0.33 0.06 -1.17 0.02 0.00 0.00 175.30 174.71 3f3y s LEU 95 N 0.02 3.86 0.27 2.53 2.96 -1.26 -0.85 118.68 126.20 3f3y s LEU 95 Ca 0.27 0.21 -0.18 0.00 -0.22 0.00 0.00 54.13 54.21 3f3y s LEU 95 Cb -0.16 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.61 3f3y s LEU 95 CO 0.13 0.32 0.63 0.72 -1.32 0.00 0.00 176.35 176.83 3f3y s PHE 96 N -0.52 0.00 0.23 5.38 -0.12 -0.76 -4.24 117.98 117.96 3f3y s PHE 96 Ca 0.10 -0.42 0.11 0.00 -0.05 0.00 0.00 56.93 56.67 3f3y s PHE 96 Cb -0.12 0.52 -0.05 0.00 -0.63 0.00 0.00 43.02 42.74 3f3y s PHE 96 CO 0.02 -1.14 -0.17 -1.12 -0.05 0.00 0.00 175.22 172.76 3f3y s SER 97 N -2.95 3.78 -0.11 1.98 0.01 0.16 -0.32 113.70 116.26 3f3y s SER 97 Ca 0.15 -0.85 -0.21 0.00 1.31 0.00 0.00 55.95 56.35 3f3y s SER 97 Cb -0.04 -0.43 0.05 0.00 0.21 0.00 0.00 66.02 65.81 3f3y s SER 97 CO 0.07 0.07 0.51 -0.55 0.41 0.00 0.00 173.24 173.76 3f3y s SER 98 N -3.14 -0.48 0.00 2.44 0.15 0.90 -2.25 113.70 111.32 3f3y s SER 98 Ca 0.26 0.70 0.13 0.00 0.70 0.00 0.00 55.95 57.74 3f3y s SER 98 Cb -0.07 0.72 0.33 0.00 -1.71 0.00 0.00 66.02 65.29 3f3y s SER 98 CO 0.14 -0.38 1.25 1.41 1.20 0.00 0.00 173.24 176.86 3f3y n HIS 99 N 1.85 0.47 -1.78 3.44 8.25 -1.25 -1.57 115.22 124.62 3f3y n HIS 99 Ca -0.17 -0.43 -0.42 0.00 -0.26 0.00 0.00 57.72 56.44 3f3y n HIS 99 Cb 0.56 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.63 3f3y n HIS 99 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3f3y s LEU 100 N -1.01 4.35 0.74 2.41 1.43 -1.26 -4.78 118.68 120.56 3f3y s LEU 100 Ca 0.26 2.90 -0.14 0.00 -1.03 0.00 0.00 54.13 56.11 3f3y s LEU 100 Cb 0.14 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.78 3f3y s LEU 100 CO 0.18 -0.92 1.18 -2.16 0.23 0.00 0.00 176.35 174.86 3f3y s PRO 101 N 0.10 2.12 0.32 1.29 0.04 -1.26 -4.83 135.00 132.78 3f3y s PRO 101 Ca 0.67 1.66 0.07 0.00 0.04 0.00 0.00 61.00 63.43 3f3y s PRO 101 Cb -0.48 -1.84 0.75 0.00 0.04 0.00 0.00 34.50 32.97 3f3y s PRO 101 CO 0.42 -1.83 1.81 0.97 0.04 0.00 0.00 177.00 178.41 3f3y h ILE 102 N -0.45 0.76 0.00 0.56 2.10 -1.86 -0.11 117.51 118.51 3f3y h ILE 102 Ca -0.47 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 65.21 3f3y h ILE 102 Cb 1.28 -0.07 0.00 0.00 -1.09 0.00 0.00 36.82 36.94 3f3y h ILE 102 CO 0.50 0.14 0.00 0.00 -1.08 0.00 0.00 178.15 177.71 3f3y n GLN 103 N -4.68 0.15 0.00 2.19 0.00 -1.26 -1.93 117.38 111.85 3f3y n GLN 103 Ca 0.21 0.12 0.06 0.00 0.00 0.00 0.00 57.00 57.39 3f3y n GLN 103 Cb 0.53 -1.50 0.02 0.00 0.00 0.00 0.00 30.24 29.29 3f3y n GLN 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3f3y n LEU 104 N -1.39 1.64 -4.75 2.61 4.77 -0.07 -5.02 117.00 114.79 3f3y n LEU 104 Ca 0.07 -0.87 -0.40 0.00 -0.03 0.00 0.00 56.01 54.78 3f3y n LEU 104 Cb 0.20 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 3f3y n LEU 104 CO 0.18 0.31 0.63 0.12 -1.33 0.00 0.00 177.39 177.30 3f3y s PHE 105 N -1.27 3.97 -0.46 -1.77 5.36 -0.81 -4.24 117.98 118.76 3f3y s PHE 105 Ca 0.12 1.88 -0.42 0.00 -0.96 0.00 0.00 56.93 57.54 3f3y s PHE 105 Cb 0.10 -2.96 -0.18 0.00 -0.34 0.00 0.00 43.02 39.63 3f3y s PHE 105 CO 0.23 0.44 1.57 -2.30 -1.46 0.00 0.00 175.22 173.70 3f3y n PRO 106 N 1.61 0.00 -0.09 10.12 -0.02 -1.23 -4.75 135.00 140.64 3f3y n PRO 106 Ca -0.02 0.00 0.17 0.00 -2.02 0.00 0.00 63.50 61.63 3f3y n PRO 106 Cb 0.47 -1.37 0.58 0.00 -0.02 0.00 0.00 33.50 33.16 3f3y n PRO 106 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3f3y h LYS 107 N 5.39 0.25 -0.10 -0.52 -0.00 -0.30 -2.05 116.57 119.24 3f3y h LYS 107 Ca -0.33 -0.01 0.03 0.00 -0.00 0.00 0.00 60.65 60.33 3f3y h LYS 107 Cb 1.26 -0.06 -0.00 0.00 -0.00 0.00 0.00 32.23 33.44 3f3y h LYS 107 CO 0.92 0.16 0.48 1.03 -0.00 0.00 0.00 179.45 182.04 3f3y h SER 108 N 0.25 0.00 0.63 7.07 0.87 -1.77 -1.93 113.55 118.67 3f3y h SER 108 Ca 0.31 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.71 3f3y h SER 108 Cb 0.87 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.81 3f3y h SER 108 CO -0.07 0.00 -0.74 0.15 -0.53 0.00 0.00 176.83 175.64 3f3y h PHE 109 N 0.00 0.12 0.00 2.24 3.57 -1.68 -3.32 116.94 117.88 3f3y h PHE 109 Ca 0.05 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3f3y h PHE 109 Cb 1.00 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.73 3f3y h PHE 109 CO 0.00 0.80 0.00 1.19 -2.23 0.00 0.00 178.31 178.07 3f3y n PHE 110 N -3.71 0.71 0.11 0.41 3.01 -0.72 -1.47 117.46 115.79 3f3y n PHE 110 Ca -0.02 0.24 0.09 0.00 1.01 0.00 0.00 57.45 58.78 3f3y n PHE 110 Cb 0.71 -0.89 0.19 0.00 -0.01 0.00 0.00 39.48 39.48 3f3y n PHE 110 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3f3y n SER 111 N -2.11 3.16 -4.82 4.37 3.41 -1.25 -5.01 113.62 111.37 3f3y n SER 111 Ca 0.04 -1.91 -0.22 0.00 -0.26 0.00 0.00 58.87 56.52 3f3y n SER 111 Cb 0.31 -0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 63.98 3f3y n SER 111 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3f3y s SER 112 N -1.20 5.17 -0.04 4.04 1.04 -0.54 -5.04 113.70 117.14 3f3y s SER 112 Ca 0.32 -0.53 0.19 0.00 0.48 0.00 0.00 55.95 56.41 3f3y s SER 112 Cb 0.18 -0.97 0.61 0.00 0.10 0.00 0.00 66.02 65.94 3f3y s SER 112 CO 0.25 -0.30 1.51 0.29 0.98 0.00 0.00 173.24 175.97 3f3y n LYS 113 N -1.30 2.88 -1.56 4.02 5.02 -1.26 -5.00 118.16 120.97 3f3y n LYS 113 Ca -0.03 -2.45 -0.40 0.00 -2.02 0.00 0.00 58.31 53.41 3f3y n LYS 113 Cb 0.60 -1.63 0.03 0.00 -0.02 0.00 0.00 35.03 34.00 3f3y n LYS 113 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f3y n ALA 114 N 1.27 -0.37 -2.73 7.82 0.00 -1.24 -4.85 120.51 120.41 3f3y n ALA 114 Ca 0.23 0.11 -0.36 0.00 0.00 0.00 0.00 53.44 53.42 3f3y n ALA 114 Cb 0.65 -1.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.02 3f3y n ALA 114 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3f3y s LYS 115 N -2.13 4.00 -0.12 0.00 1.02 -0.89 -4.81 119.74 116.82 3f3y s LYS 115 Ca 0.67 -0.31 -0.01 0.00 0.02 0.00 0.00 55.97 56.35 3f3y s LYS 115 Cb -0.51 -3.45 -0.02 0.00 -0.52 0.00 0.00 37.83 33.32 3f3y s LYS 115 CO 0.54 0.07 -0.08 0.14 -0.92 0.00 0.00 175.35 175.10 3f3y s VAL 116 N 1.01 3.51 -0.35 3.17 -7.23 -0.58 -0.83 120.40 119.09 3f3y s VAL 116 Ca 0.06 -0.52 -0.08 0.00 -1.81 0.00 0.00 61.98 59.63 3f3y s VAL 116 Cb -0.14 -2.48 0.03 0.00 0.56 0.00 0.00 36.38 34.36 3f3y s VAL 116 CO 0.04 0.54 0.15 -0.63 -0.31 0.00 0.00 175.10 174.89 3f3y s ILE 117 N -0.04 4.14 -0.31 -0.62 1.01 0.57 -1.27 121.20 124.68 3f3y s ILE 117 Ca -0.01 -1.00 -0.21 0.00 0.00 0.00 0.00 60.65 59.43 3f3y s ILE 117 Cb -0.14 -3.32 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 3f3y s ILE 117 CO 0.03 -0.20 0.68 -0.47 0.00 0.00 0.00 174.94 174.98 3f3y s TYR 118 N 1.47 3.21 -0.24 3.97 5.04 0.14 -1.24 117.35 129.70 3f3y s TYR 118 Ca 0.00 0.64 -0.08 0.00 -2.44 0.00 0.00 57.07 55.20 3f3y s TYR 118 Cb -0.19 -3.06 -0.03 0.00 0.35 0.00 0.00 41.96 39.02 3f3y s TYR 118 CO 0.04 -0.51 0.08 -1.17 -1.34 0.00 0.00 175.55 172.66 3f3y s LEU 119 N 2.72 3.56 0.25 6.97 2.96 -0.62 -1.73 118.68 132.79 3f3y s LEU 119 Ca 0.27 -0.13 0.08 0.00 -0.22 0.00 0.00 54.13 54.13 3f3y s LEU 119 Cb -0.15 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 3f3y s LEU 119 CO 0.12 0.01 0.14 0.00 -1.32 0.00 0.00 176.35 175.30 3f3y s MET 120 N 1.37 2.77 0.03 1.98 0.23 -0.97 -4.38 119.30 120.34 3f3y s MET 120 Ca 0.05 -1.14 -0.14 0.00 -1.03 0.00 0.00 55.69 53.44 3f3y s MET 120 Cb -0.15 -2.47 0.02 0.00 -1.53 0.00 0.00 34.83 30.71 3f3y s MET 120 CO 0.04 0.39 0.30 0.50 -2.03 0.00 0.00 175.02 174.23 3f3y s ARG 121 N -3.78 0.78 -0.08 3.16 3.52 -1.26 -0.73 118.95 120.57 3f3y s ARG 121 Ca 0.32 -0.45 -0.34 0.00 -0.13 0.00 0.00 55.73 55.13 3f3y s ARG 121 Cb -0.08 0.34 -0.12 0.00 -1.56 0.00 0.00 34.95 33.54 3f3y s ARG 121 CO 0.24 -0.24 1.87 -1.71 -0.81 0.00 0.00 175.30 174.65 3f3y n ASN 122 N 0.71 3.46 0.16 -2.12 2.85 -1.26 -4.82 115.26 114.24 3f3y n ASN 122 Ca -0.19 0.97 0.12 0.00 -0.11 0.00 0.00 54.58 55.38 3f3y n ASN 122 Cb 0.59 -1.38 0.55 0.00 1.24 0.00 0.00 39.78 40.78 3f3y n ASN 122 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3f3y h PRO 123 N 9.13 0.00 -0.46 1.20 0.13 -1.99 0.04 132.00 140.05 3f3y h PRO 123 Ca -0.48 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 3f3y h PRO 123 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 3f3y h PRO 123 CO 0.95 0.00 -0.10 0.00 -0.23 0.00 0.00 178.00 178.61 3f3y h ARG 124 N 0.00 0.88 -0.42 0.86 3.08 -1.99 0.13 114.38 116.92 3f3y h ARG 124 Ca 0.00 -0.33 -0.11 0.00 0.07 0.00 0.00 59.98 59.61 3f3y h ARG 124 Cb 0.29 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3f3y h ARG 124 CO 0.00 0.97 -0.15 -0.44 -1.07 0.00 0.00 179.97 179.29 3f3y h ASP 125 N 0.72 0.86 -0.88 7.04 3.32 -1.41 -2.18 116.42 123.89 3f3y h ASP 125 Ca 0.12 -0.38 0.02 0.00 0.02 0.00 0.00 57.03 56.81 3f3y h ASP 125 Cb 0.65 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.91 3f3y h ASP 125 CO 0.04 1.05 0.58 0.58 -1.72 0.00 0.00 179.24 179.77 3f3y h VAL 126 N 0.67 1.19 0.16 -1.35 2.07 -1.15 -0.07 116.25 117.77 3f3y h VAL 126 Ca 0.10 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.24 3f3y h VAL 126 Cb 0.70 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3f3y h VAL 126 CO 0.05 0.21 -0.24 0.25 0.02 0.00 0.00 177.57 177.87 3f3y h LEU 127 N 1.15 -0.65 -0.50 2.57 6.46 -0.69 -0.03 115.31 123.62 3f3y h LEU 127 Ca 0.34 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 58.16 3f3y h LEU 127 Cb -0.07 0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 3f3y h LEU 127 CO -0.09 -0.33 0.30 0.58 -0.62 0.00 0.00 178.44 178.28 3f3y h VAL 128 N -0.46 1.16 -0.40 1.05 2.07 -1.26 -0.34 116.25 118.07 3f3y h VAL 128 Ca 0.02 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.19 3f3y h VAL 128 Cb 0.46 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3f3y h VAL 128 CO -0.10 0.16 0.26 -1.28 0.02 0.00 0.00 177.57 176.63 3f3y h SER 129 N 0.67 0.44 -0.45 0.57 0.87 -0.84 -2.53 113.55 112.29 3f3y h SER 129 Ca 0.18 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.67 3f3y h SER 129 Cb -0.00 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 3f3y h SER 129 CO -0.03 0.32 0.02 1.23 -0.53 0.00 0.00 176.83 177.84 3f3y h GLY 130 N 0.53 0.83 0.10 5.77 0.00 -0.85 -2.54 103.07 106.91 3f3y h GLY 130 Ca 0.15 -0.59 0.10 0.00 0.00 0.00 0.00 47.33 46.99 3f3y h GLY 130 CO -0.04 0.55 -0.03 -1.82 0.00 0.00 0.00 176.54 175.20 3f3y h TYR 131 N 0.62 -0.08 -0.02 5.60 5.03 -0.63 -1.94 116.97 125.56 3f3y h TYR 131 Ca 0.13 0.04 -0.20 0.00 2.58 0.00 0.00 58.73 61.28 3f3y h TYR 131 Cb 0.46 0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.85 3f3y h TYR 131 CO 0.03 -0.15 -0.84 0.74 -1.32 0.00 0.00 178.16 176.63 3f3y h PHE 132 N 0.09 0.42 -0.25 -3.82 -1.00 -1.53 -3.35 116.94 107.51 3f3y h PHE 132 Ca 0.26 -0.22 -0.03 0.00 2.81 0.00 0.00 57.97 60.80 3f3y h PHE 132 Cb 0.40 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 3f3y h PHE 132 CO -0.35 1.01 0.05 0.35 -1.61 0.00 0.00 178.31 177.77 3f3y h PHE 133 N 0.18 0.43 0.00 -0.55 3.57 -0.93 -3.21 116.94 116.42 3f3y h PHE 133 Ca -0.05 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.40 3f3y h PHE 133 Cb 1.45 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.07 3f3y h PHE 133 CO 0.04 0.50 0.00 0.91 -2.23 0.00 0.00 178.31 177.53 3f3y n TRP 134 N -4.71 0.49 -0.08 0.41 5.03 -0.80 -3.57 117.44 114.21 3f3y n TRP 134 Ca -0.03 0.23 -0.10 0.00 3.03 0.00 0.00 57.50 60.63 3f3y n TRP 134 Cb 0.19 -0.87 -0.03 0.00 -1.03 0.00 0.00 31.31 29.56 3f3y n TRP 134 CO 0.00 0.00 0.00 0.87 -0.03 0.00 0.00 177.69 178.53 3f3y h LYS 135 N 0.00 0.41 -0.01 -0.99 1.57 -1.75 -2.43 116.57 113.37 3f3y h LYS 135 Ca 0.00 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3f3y h LYS 135 Cb 0.11 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3f3y h LYS 135 CO 0.00 0.48 0.00 0.09 -0.57 0.00 0.00 179.45 179.45 3f3y n ASN 136 N -4.73 0.23 -4.60 0.86 3.02 -1.23 -4.79 115.26 104.00 3f3y n ASN 136 Ca -0.03 -1.25 -0.41 0.00 -0.03 0.00 0.00 54.58 52.86 3f3y n ASN 136 Cb 0.16 -0.01 -0.07 0.00 -0.61 0.00 0.00 39.78 39.25 3f3y n ASN 136 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3f3y s MET 137 N -1.99 3.94 0.57 3.52 -1.94 -0.92 0.11 119.30 122.59 3f3y s MET 137 Ca 0.38 0.33 0.35 0.00 -1.71 0.00 0.00 55.69 55.04 3f3y s MET 137 Cb 0.18 -3.71 1.62 0.00 2.01 0.00 0.00 34.83 34.93 3f3y s MET 137 CO 0.30 -0.54 2.09 0.87 -0.01 0.00 0.00 175.02 177.73 3f3y h LYS 138 N 8.14 0.00 -0.06 2.03 1.57 -1.58 -3.24 116.57 123.44 3f3y h LYS 138 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3f3y h LYS 138 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3f3y h LYS 138 CO 0.79 0.03 0.00 1.97 -0.57 0.00 0.00 179.45 181.67 3f3y n PHE 139 N -3.17 0.08 -4.22 -1.35 -1.74 -1.26 -4.97 117.46 100.83 3f3y n PHE 139 Ca -0.01 -0.54 -0.35 0.00 -0.56 0.00 0.00 57.45 56.00 3f3y n PHE 139 Cb 0.25 -0.06 -0.08 0.00 1.52 0.00 0.00 39.48 41.11 3f3y n PHE 139 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 3f3y s ILE 140 N -1.15 4.60 -0.15 1.97 1.09 -1.22 -4.32 121.20 122.01 3f3y s ILE 140 Ca 0.06 -0.24 -0.29 0.00 -1.10 0.00 0.00 60.65 59.08 3f3y s ILE 140 Cb 0.04 -3.00 -0.04 0.00 -1.06 0.00 0.00 42.46 38.41 3f3y s ILE 140 CO 0.03 0.53 1.64 -1.59 -0.10 0.00 0.00 174.94 175.44 3f3y s LYS 141 N -1.16 3.94 -0.05 2.79 0.00 -1.26 -4.96 119.74 119.03 3f3y s LYS 141 Ca 0.16 1.88 -0.16 0.00 0.00 0.00 0.00 55.97 57.86 3f3y s LYS 141 Cb -0.12 -4.02 -0.05 0.00 0.00 0.00 0.00 37.83 33.65 3f3y s LYS 141 CO 0.06 -1.12 0.42 0.15 0.00 0.00 0.00 175.35 174.86 3f3y s LYS 142 N 4.43 4.09 0.63 1.78 1.02 -1.26 -5.04 119.74 125.39 3f3y s LYS 142 Ca 0.73 0.39 -0.16 0.00 0.02 0.00 0.00 55.97 56.95 3f3y s LYS 142 Cb -0.28 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 33.70 3f3y s LYS 142 CO 0.29 0.47 1.12 -1.25 -0.92 0.00 0.00 175.35 175.06 3f3y s PRO 143 N -0.38 2.95 0.43 -1.68 0.04 -1.26 -4.93 135.00 130.17 3f3y s PRO 143 Ca 0.24 1.45 0.16 0.00 0.04 0.00 0.00 61.00 62.89 3f3y s PRO 143 Cb -0.16 -1.96 0.97 0.00 0.04 0.00 0.00 34.50 33.38 3f3y s PRO 143 CO 0.11 -1.14 1.94 1.57 0.04 0.00 0.00 177.00 179.52 3f3y h LYS 144 N 0.35 0.00 -2.46 4.56 -0.00 -1.98 -3.47 116.57 113.57 3f3y h LYS 144 Ca -0.48 0.00 0.12 0.00 -0.00 0.00 0.00 60.65 60.29 3f3y h LYS 144 Cb 1.25 0.00 -0.11 0.00 -0.00 0.00 0.00 32.23 33.37 3f3y h LYS 144 CO 0.55 0.25 0.43 -1.54 -0.00 0.00 0.00 179.45 179.14 3f3y s SER 145 N -6.80 -0.31 0.17 7.07 1.04 -1.26 -5.03 113.70 108.58 3f3y s SER 145 Ca -0.03 -0.21 -0.14 0.00 0.48 0.00 0.00 55.95 56.05 3f3y s SER 145 Cb 0.15 0.48 0.13 0.00 0.10 0.00 0.00 66.02 66.87 3f3y s SER 145 CO 0.69 -0.84 1.75 -0.25 0.98 0.00 0.00 173.24 175.57 3f3y h TRP 146 N 2.00 0.26 -0.68 5.02 2.91 -2.00 -2.38 115.95 121.08 3f3y h TRP 146 Ca -0.24 0.02 0.05 0.00 1.13 0.00 0.00 58.89 59.85 3f3y h TRP 146 Cb 1.25 -0.05 -0.05 0.00 -0.51 0.00 0.00 29.16 29.79 3f3y h TRP 146 CO 0.32 0.09 0.40 0.93 -1.03 0.00 0.00 178.44 179.14 3f3y h GLU 147 N 0.31 0.73 0.31 2.65 3.07 -1.99 -0.45 114.58 119.21 3f3y h GLU 147 Ca 0.21 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.01 3f3y h GLU 147 Cb 0.21 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 3f3y h GLU 147 CO -0.22 0.48 -0.15 1.49 -1.40 0.00 0.00 179.01 179.21 3f3y h GLU 148 N 0.75 -0.40 -0.72 2.33 4.81 -1.90 -2.73 114.58 116.72 3f3y h GLU 148 Ca 0.29 0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.71 3f3y h GLU 148 Cb 0.13 0.09 -0.11 0.00 0.63 0.00 0.00 28.75 29.49 3f3y h GLU 148 CO -0.15 -0.14 0.12 -0.92 -0.73 0.00 0.00 179.01 177.18 3f3y h TYR 149 N -0.63 0.16 -0.77 0.92 3.20 -1.35 0.16 116.97 118.66 3f3y h TYR 149 Ca -0.04 0.05 0.13 0.00 3.14 0.00 0.00 58.73 62.01 3f3y h TYR 149 Cb 0.45 0.04 -0.09 0.00 1.54 0.00 0.00 36.73 38.67 3f3y h TYR 149 CO -0.00 -0.13 0.35 0.35 -1.64 0.00 0.00 178.16 177.09 3f3y h PHE 150 N 0.21 0.61 -0.11 -3.82 3.57 -1.04 0.32 116.94 116.68 3f3y h PHE 150 Ca 0.40 0.03 -0.23 0.00 3.53 0.00 0.00 57.97 61.70 3f3y h PHE 150 Cb 0.68 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 39.28 3f3y h PHE 150 CO -0.31 0.13 -0.85 1.49 -2.23 0.00 0.00 178.31 176.54 3f3y h GLU 151 N 0.52 0.74 -0.30 1.11 4.57 -0.66 -2.27 114.58 118.29 3f3y h GLU 151 Ca 0.42 -0.66 0.06 0.00 -1.18 0.00 0.00 59.36 58.00 3f3y h GLU 151 Cb 0.59 0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 29.27 3f3y h GLU 151 CO -0.37 1.26 -0.08 -1.49 -1.18 0.00 0.00 179.01 177.15 3f3y h TRP 152 N 0.48 -0.18 -0.85 0.92 6.55 -0.41 -2.11 115.95 120.35 3f3y h TRP 152 Ca -0.07 0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.78 3f3y h TRP 152 Cb 1.49 0.13 -0.04 0.00 -0.86 0.00 0.00 29.16 29.87 3f3y h TRP 152 CO 0.09 -0.14 0.46 0.35 -1.05 0.00 0.00 178.44 178.15 3f3y h PHE 153 N -0.01 1.17 0.00 0.49 3.57 -0.87 -0.53 116.94 120.76 3f3y h PHE 153 Ca 0.14 -0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 3f3y h PHE 153 Cb 0.23 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 3f3y h PHE 153 CO -0.29 0.81 -0.51 0.00 -2.23 0.00 0.00 178.31 176.09 3f3y h GLN 155 N 0.00 0.00 0.00 0.00 -0.00 -0.91 -3.48 115.11 110.72 3f3y h GLN 155 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 3f3y h GLN 155 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.48 3f3y h GLN 155 CO 0.07 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.31 3f3y n GLY 156 N 1.33 0.74 2.54 0.06 0.00 -0.26 -4.89 105.19 104.71 3f3y n GLY 156 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3f3y n GLY 156 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3f3y n THR 157 N -2.38 5.47 -4.21 2.61 -2.24 -0.88 -3.49 114.28 109.16 3f3y n THR 157 Ca 0.00 -4.84 -0.12 0.00 -2.27 0.00 0.00 64.05 56.81 3f3y n THR 157 Cb 0.00 -1.88 -0.10 0.00 -2.10 0.00 0.00 70.33 66.25 3f3y n THR 157 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3f3y s VAL 158 N -2.29 0.90 -0.24 2.28 -7.23 -1.26 -4.83 120.40 107.72 3f3y s VAL 158 Ca 0.49 -1.99 -0.32 0.00 -1.81 0.00 0.00 61.98 58.34 3f3y s VAL 158 Cb 0.20 -1.80 -0.14 0.00 0.56 0.00 0.00 36.38 35.19 3f3y s VAL 158 CO -0.11 -0.78 1.03 0.18 -0.31 0.00 0.00 175.10 175.10 3f3y n LEU 159 N -0.13 0.59 0.00 1.32 4.77 -1.26 -0.49 117.00 121.80 3f3y n LEU 159 Ca -0.11 0.85 0.00 0.00 -0.03 0.00 0.00 56.01 56.72 3f3y n LEU 159 Cb 0.61 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3f3y n LEU 159 CO 0.31 -0.85 0.00 -1.22 -1.33 0.00 0.00 177.39 174.30 3f3y n TYR 160 N 2.31 0.00 -3.81 -1.77 4.02 0.10 -4.91 117.16 113.10 3f3y n TYR 160 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.09 3f3y n TYR 160 Cb -0.01 -0.40 0.00 0.00 -0.02 0.00 0.00 39.34 38.91 3f3y n TYR 160 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3f3y n GLY 161 N -2.13 -1.29 3.81 2.72 0.00 0.36 -4.84 105.19 103.82 3f3y n GLY 161 Ca 0.00 -1.30 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 3f3y n GLY 161 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3f3y s SER 162 N -4.00 7.08 0.13 1.61 0.15 -1.23 -4.52 113.70 112.92 3f3y s SER 162 Ca 0.00 1.57 -0.07 0.00 0.70 0.00 0.00 55.95 58.15 3f3y s SER 162 Cb 0.00 -2.48 -0.09 0.00 -1.71 0.00 0.00 66.02 61.74 3f3y s SER 162 CO 0.00 -0.10 1.33 -0.25 1.20 0.00 0.00 173.24 175.41 3f3y h TRP 163 N 2.90 0.80 -0.44 3.44 7.01 -1.90 -1.16 115.95 126.60 3f3y h TRP 163 Ca -0.48 -0.39 -0.02 0.00 2.11 0.00 0.00 58.89 60.12 3f3y h TRP 163 Cb 1.19 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 28.12 3f3y h TRP 163 CO 0.62 1.19 0.21 0.74 -2.79 0.00 0.00 178.44 178.41 3f3y h PHE 164 N 0.37 0.65 0.14 2.65 -1.00 -1.95 -1.86 116.94 115.94 3f3y h PHE 164 Ca -0.06 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.67 3f3y h PHE 164 Cb 1.46 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 40.82 3f3y h PHE 164 CO 0.07 0.53 -0.07 -0.44 -1.61 0.00 0.00 178.31 176.79 3f3y h ASP 165 N 0.57 -0.16 -0.82 2.17 3.45 -1.93 -1.16 116.42 118.54 3f3y h ASP 165 Ca 0.15 -0.19 0.20 0.00 0.43 0.00 0.00 57.03 57.63 3f3y h ASP 165 Cb 0.14 0.04 -0.13 0.00 -0.56 0.00 0.00 39.33 38.81 3f3y h ASP 165 CO -0.02 0.10 0.16 -0.74 -1.57 0.00 0.00 179.24 177.17 3f3y h HIS 166 N -0.43 0.22 -0.00 4.55 2.76 -1.09 -2.27 115.15 118.89 3f3y h HIS 166 Ca -0.02 0.05 -0.09 0.00 -2.20 0.00 0.00 60.37 58.11 3f3y h HIS 166 Cb 0.34 0.03 0.01 0.00 1.55 0.00 0.00 27.41 29.34 3f3y h HIS 166 CO 0.00 -0.20 -0.36 0.82 -1.30 0.00 0.00 177.93 176.90 3f3y h ILE 167 N 0.19 1.51 -0.93 6.26 1.08 -1.16 -2.81 117.51 121.65 3f3y h ILE 167 Ca 0.49 -1.98 0.20 0.00 -0.39 0.00 0.00 64.86 63.18 3f3y h ILE 167 Cb 0.92 2.70 -0.11 0.00 -3.07 0.00 0.00 36.82 37.27 3f3y h ILE 167 CO -0.64 0.55 0.49 0.45 -0.69 0.00 0.00 178.15 178.32 3f3y h HIS 168 N -0.37 0.84 0.00 1.37 3.86 -0.90 -1.31 115.15 118.64 3f3y h HIS 168 Ca -0.04 0.04 -0.19 0.00 -1.16 0.00 0.00 60.37 59.02 3f3y h HIS 168 Cb 1.10 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 29.31 3f3y h HIS 168 CO 0.17 0.09 -1.11 0.78 0.86 0.00 0.00 177.93 178.72 3f3y h GLY 169 N 0.57 0.00 1.25 2.45 0.00 -1.39 -3.28 103.07 102.67 3f3y h GLY 169 Ca 0.56 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.71 3f3y h GLY 169 CO -0.45 0.00 -1.25 1.49 0.00 0.00 0.00 176.54 176.33 3f3y h TRP 170 N 0.00 0.00 -0.81 5.60 4.06 -1.38 -3.41 115.95 120.01 3f3y h TRP 170 Ca -0.10 0.00 0.07 0.00 2.06 0.00 0.00 58.89 60.92 3f3y h TRP 170 Cb 1.67 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.78 3f3y h TRP 170 CO 0.00 0.65 0.53 0.52 -3.56 0.00 0.00 178.44 176.58 3f3y h MET 171 N 0.00 0.84 -0.69 0.49 2.86 -1.30 -1.94 114.93 115.20 3f3y h MET 171 Ca -0.14 -0.05 0.20 0.00 -2.06 0.00 0.00 59.70 57.65 3f3y h MET 171 Cb 1.62 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 33.06 3f3y h MET 171 CO 0.06 0.56 0.68 -1.35 1.06 0.00 0.00 176.91 177.92 3f3y h PRO 172 N 0.87 0.00 0.00 -0.22 0.11 -1.79 -0.83 132.00 130.13 3f3y h PRO 172 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3f3y h PRO 172 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 3f3y h PRO 172 CO -0.13 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 176.33 3f3y n MET 173 N -3.72 0.11 0.11 1.05 2.81 -0.73 -3.83 117.12 112.92 3f3y n MET 173 Ca 0.14 0.26 0.09 0.00 -1.81 0.00 0.00 57.70 56.38 3f3y n MET 173 Cb 0.93 -1.68 0.42 0.00 -0.71 0.00 0.00 33.22 32.18 3f3y n MET 173 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 3f3y n ARG 174 N -1.89 0.11 0.00 0.03 1.85 -0.32 -0.54 116.66 115.90 3f3y n ARG 174 Ca 0.04 0.50 0.12 0.00 -1.00 0.00 0.00 57.85 57.52 3f3y n ARG 174 Cb 0.27 -1.80 0.22 0.00 -1.05 0.00 0.00 32.46 30.10 3f3y n ARG 174 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3f3y n GLU 175 N -2.03 1.85 -3.12 2.89 -0.58 -1.25 -4.93 120.64 113.46 3f3y n GLU 175 Ca 0.00 -1.40 -0.36 0.00 -0.42 0.00 0.00 57.16 54.98 3f3y n GLU 175 Cb 0.10 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 29.44 3f3y n GLU 175 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3f3y s GLU 176 N -2.12 4.25 0.45 3.49 0.41 0.30 -4.99 118.70 120.50 3f3y s GLU 176 Ca 0.29 0.85 0.14 0.00 -0.41 0.00 0.00 54.97 55.84 3f3y s GLU 176 Cb 0.20 -2.94 1.01 0.00 -1.78 0.00 0.00 34.13 30.61 3f3y s GLU 176 CO 0.37 0.43 2.00 -0.22 -0.49 0.00 0.00 175.26 177.36 3f3y h LYS 177 N 3.59 0.04 -0.74 1.61 3.64 -1.92 -2.74 116.57 120.05 3f3y h LYS 177 Ca -0.48 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 58.70 3f3y h LYS 177 Cb 1.20 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.89 3f3y h LYS 177 CO 0.65 0.19 0.24 0.27 -2.27 0.00 0.00 179.45 178.53 3f3y n ASN 178 N -4.35 5.01 -4.12 4.20 6.94 -1.26 -4.85 115.26 116.83 3f3y n ASN 178 Ca -0.02 -3.18 -0.32 0.00 -0.02 0.00 0.00 54.58 51.03 3f3y n ASN 178 Cb 0.22 -0.74 -0.16 0.00 -2.36 0.00 0.00 39.78 36.73 3f3y n ASN 178 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 3f3y s PHE 179 N -2.96 2.57 -0.20 -2.53 5.36 -1.04 -1.53 117.98 117.66 3f3y s PHE 179 Ca 0.55 -1.39 -0.04 0.00 -0.96 0.00 0.00 56.93 55.10 3f3y s PHE 179 Cb 0.44 -1.78 -0.02 0.00 -0.34 0.00 0.00 43.02 41.32 3f3y s PHE 179 CO 0.14 -0.67 -0.03 -1.17 -1.46 0.00 0.00 175.22 172.03 3f3y s LEU 180 N 1.07 3.09 -0.32 6.12 2.96 -0.39 -4.80 118.68 126.41 3f3y s LEU 180 Ca -0.02 -0.27 -0.15 0.00 -0.22 0.00 0.00 54.13 53.48 3f3y s LEU 180 Cb -0.14 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 3f3y s LEU 180 CO -0.07 0.06 0.35 -0.22 -1.32 0.00 0.00 176.35 175.15 3f3y s LEU 181 N 1.04 4.29 0.37 -0.68 2.96 -1.26 -0.69 118.68 124.70 3f3y s LEU 181 Ca 0.01 -0.07 0.09 0.00 -0.22 0.00 0.00 54.13 53.94 3f3y s LEU 181 Cb -0.15 -2.34 -0.07 0.00 0.50 0.00 0.00 46.19 44.13 3f3y s LEU 181 CO 0.01 -0.27 -0.05 -0.76 -1.32 0.00 0.00 176.35 173.96 3f3y s LEU 182 N 2.01 2.80 0.04 -0.68 1.43 -0.71 -5.01 118.68 118.57 3f3y s LEU 182 Ca 0.12 -1.24 0.06 0.00 -1.03 0.00 0.00 54.13 52.05 3f3y s LEU 182 Cb -0.16 -1.00 -0.02 0.00 0.03 0.00 0.00 46.19 45.04 3f3y s LEU 182 CO 0.11 -0.29 -0.18 -0.94 0.23 0.00 0.00 176.35 175.28 3f3y s SER 183 N -3.65 2.15 0.44 2.29 1.04 -1.26 -2.28 113.70 112.43 3f3y s SER 183 Ca 0.34 -0.48 0.15 0.00 0.48 0.00 0.00 55.95 56.43 3f3y s SER 183 Cb 0.05 -0.17 1.07 0.00 0.10 0.00 0.00 66.02 67.06 3f3y s SER 183 CO 0.17 0.12 1.99 0.22 0.98 0.00 0.00 173.24 176.72 3f3y h TYR 184 N 4.95 0.39 -0.14 5.02 3.20 -1.18 -1.77 116.97 127.43 3f3y h TYR 184 Ca -0.40 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.47 3f3y h TYR 184 Cb 1.17 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 3f3y h TYR 184 CO 0.51 0.18 0.07 0.93 -1.64 0.00 0.00 178.16 178.21 3f3y h GLU 185 N 0.36 0.20 -0.07 1.82 3.07 -1.95 -1.01 114.58 117.01 3f3y h GLU 185 Ca 0.27 -0.03 -0.16 0.00 -0.50 0.00 0.00 59.36 58.94 3f3y h GLU 185 Cb 0.57 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 3f3y h GLU 185 CO -0.07 0.24 -0.66 1.05 -1.40 0.00 0.00 179.01 178.18 3f3y h GLU 186 N 0.12 0.28 -0.71 2.33 4.11 -1.88 0.81 114.58 119.64 3f3y h GLU 186 Ca 0.05 -0.21 -0.03 0.00 0.07 0.00 0.00 59.36 59.25 3f3y h GLU 186 Cb 0.10 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3f3y h GLU 186 CO -0.01 0.84 0.34 1.25 0.07 0.00 0.00 179.01 181.50 3f3y h LEU 187 N 0.20 0.91 0.14 3.06 5.85 -1.25 -0.57 115.31 123.66 3f3y h LEU 187 Ca -0.01 -0.10 -0.19 0.00 0.84 0.00 0.00 57.88 58.41 3f3y h LEU 187 Cb 1.19 -0.23 0.02 0.00 0.37 0.00 0.00 40.66 42.01 3f3y h LEU 187 CO 0.10 0.77 -0.84 0.50 -0.34 0.00 0.00 178.44 178.64 3f3y h LYS 188 N 1.01 0.32 0.20 1.25 1.63 -0.33 -2.59 116.57 118.05 3f3y h LYS 188 Ca 0.25 -0.53 -0.01 0.00 -0.85 0.00 0.00 60.65 59.50 3f3y h LYS 188 Cb 0.10 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 3f3y h LYS 188 CO -0.03 1.25 -0.10 0.37 -3.45 0.00 0.00 179.45 177.49 3f3y h GLN 189 N -0.33 -0.26 -2.74 1.90 5.75 -0.78 -3.37 115.11 115.27 3f3y h GLN 189 Ca -0.15 0.02 -0.60 0.00 -0.15 0.00 0.00 58.65 57.77 3f3y h GLN 189 Cb 1.66 0.06 -0.40 0.00 1.07 0.00 0.00 27.48 29.87 3f3y h GLN 189 CO 0.16 -0.14 -0.80 0.34 -2.65 0.00 0.00 178.83 175.74 3f3y s ASP 190 N -4.99 3.02 0.16 -0.69 -1.08 -0.23 -5.01 116.67 107.85 3f3y s ASP 190 Ca -0.14 -2.90 -0.14 0.00 -0.52 0.00 0.00 52.55 48.84 3f3y s ASP 190 Cb 0.05 -0.84 0.04 0.00 -1.46 0.00 0.00 42.92 40.71 3f3y s ASP 190 CO 0.64 -0.21 1.76 0.74 0.52 0.00 0.00 175.17 178.62 3f3y h THR 191 N 4.87 1.18 0.32 1.71 2.02 -1.64 -1.32 112.91 120.05 3f3y h THR 191 Ca 0.12 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 3f3y h THR 191 Cb 0.90 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 3f3y h THR 191 CO 0.45 0.19 -0.15 1.23 0.37 0.00 0.00 175.52 177.61 3f3y h GLY 192 N 0.66 -0.44 0.17 2.16 0.00 -1.94 0.62 103.07 104.29 3f3y h GLY 192 Ca 0.17 0.16 0.19 0.00 0.00 0.00 0.00 47.33 47.86 3f3y h GLY 192 CO -0.03 -0.16 0.61 0.07 0.00 0.00 0.00 176.54 177.04 3f3y h ARG 193 N -0.49 0.66 -0.08 4.80 -0.00 -1.95 -0.16 114.38 117.16 3f3y h ARG 193 Ca -0.04 -0.04 -0.06 0.00 -0.00 0.00 0.00 59.98 59.84 3f3y h ARG 193 Cb 0.37 -0.15 0.00 0.00 -0.00 0.00 0.00 29.97 30.19 3f3y h ARG 193 CO 0.07 0.43 -0.19 1.15 -0.00 0.00 0.00 179.97 181.44 3f3y h THR 194 N 0.68 1.42 -0.78 0.08 2.02 -0.81 -1.27 112.91 114.23 3f3y h THR 194 Ca 0.55 -1.52 0.11 0.00 0.77 0.00 0.00 66.41 66.32 3f3y h THR 194 Cb 0.98 2.22 -0.08 0.00 -1.74 0.00 0.00 68.15 69.53 3f3y h THR 194 CO -0.33 0.43 0.40 0.40 0.37 0.00 0.00 175.52 176.80 3f3y h ILE 195 N -0.23 0.82 -0.44 3.11 2.04 -0.50 0.02 117.51 122.33 3f3y h ILE 195 Ca -0.00 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.67 3f3y h ILE 195 Cb 0.79 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 3f3y h ILE 195 CO 0.04 0.12 0.22 -0.33 0.00 0.00 0.00 178.15 178.20 3f3y h GLU 196 N 0.65 0.43 -0.91 2.37 5.08 -0.83 -0.19 114.58 121.18 3f3y h GLU 196 Ca 0.40 -0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.88 3f3y h GLU 196 Cb 0.47 -0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.53 3f3y h GLU 196 CO -0.30 0.29 0.52 -0.22 -1.00 0.00 0.00 179.01 178.29 3f3y h LYS 197 N 0.44 0.73 -0.22 2.33 3.64 0.03 -1.89 116.57 121.63 3f3y h LYS 197 Ca 0.19 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.45 3f3y h LYS 197 Cb 0.09 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3f3y h LYS 197 CO -0.13 0.48 -0.16 0.82 -2.27 0.00 0.00 179.45 178.19 3f3y h ILE 198 N 0.75 1.32 -0.27 2.00 2.04 0.15 -2.71 117.51 120.79 3f3y h ILE 198 Ca 0.49 -1.29 0.07 0.00 1.00 0.00 0.00 64.86 65.12 3f3y h ILE 198 Cb 0.64 1.68 -0.08 0.00 -0.74 0.00 0.00 36.82 38.33 3f3y h ILE 198 CO -0.33 0.40 -0.27 0.00 0.00 0.00 0.00 178.15 177.94 3f3y h GLN 200 N -0.27 1.10 -0.45 0.00 4.20 -1.35 0.56 115.11 118.89 3f3y h GLN 200 Ca 0.14 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.66 3f3y h GLN 200 Cb 0.49 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3f3y h GLN 200 CO -0.42 0.73 -0.21 0.35 -0.67 0.00 0.00 178.83 178.60 3f3y h PHE 201 N 1.13 1.09 -0.00 2.96 3.57 -1.14 -2.97 116.94 121.57 3f3y h PHE 201 Ca 0.35 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3f3y h PHE 201 Cb -0.01 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.48 3f3y h PHE 201 CO -0.00 1.08 -0.16 1.28 -2.23 0.00 0.00 178.31 178.27 3f3y n LEU 202 N -4.15 0.25 -0.51 0.59 4.77 -0.33 -4.93 117.00 112.68 3f3y n LEU 202 Ca -0.01 0.23 -0.03 0.00 -0.03 0.00 0.00 56.01 56.17 3f3y n LEU 202 Cb 0.45 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3f3y n LEU 202 CO 0.46 0.06 -0.02 0.61 -1.33 0.00 0.00 177.39 177.17 3f3y n GLY 203 N 1.43 0.38 3.61 -0.72 0.00 0.18 -5.05 105.19 105.02 3f3y n GLY 203 Ca 0.09 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 3f3y n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f3y s LYS 204 N -4.44 2.17 0.14 1.61 -0.14 0.01 -5.01 119.74 114.08 3f3y s LYS 204 Ca 0.02 -1.38 0.09 0.00 -1.36 0.00 0.00 55.97 53.34 3f3y s LYS 204 Cb -0.01 -2.14 -0.04 0.00 -1.68 0.00 0.00 37.83 33.96 3f3y s LYS 204 CO 0.03 0.39 -0.21 0.95 -0.76 0.00 0.00 175.35 175.75 3f3y s THR 205 N -2.12 1.89 0.05 2.17 -4.23 -1.26 -4.19 115.64 107.96 3f3y s THR 205 Ca 0.29 -1.75 0.05 0.00 -1.18 0.00 0.00 61.69 59.11 3f3y s THR 205 Cb -0.07 -1.77 -0.02 0.00 1.34 0.00 0.00 72.50 71.97 3f3y s THR 205 CO 0.18 -0.13 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.22 3f3y s LEU 206 N -2.25 2.19 0.34 4.79 1.43 -1.26 -5.12 118.68 118.80 3f3y s LEU 206 Ca 0.12 -0.50 -0.20 0.00 -1.03 0.00 0.00 54.13 52.52 3f3y s LEU 206 Cb -0.08 -0.63 -0.10 0.00 0.03 0.00 0.00 46.19 45.41 3f3y s LEU 206 CO 0.06 0.03 0.85 -1.83 0.23 0.00 0.00 176.35 175.68 3f3y s GLU 207 N -1.27 4.25 0.28 1.70 4.04 -1.26 -4.88 118.70 121.56 3f3y s GLU 207 Ca 0.02 1.00 -0.02 0.00 0.04 0.00 0.00 54.97 56.00 3f3y s GLU 207 Cb -0.08 -2.52 0.60 0.00 0.02 0.00 0.00 34.13 32.14 3f3y s GLU 207 CO 0.02 0.17 1.48 -2.30 -1.84 0.00 0.00 175.26 172.79 3f3y n PRO 208 N -0.03 -0.08 -0.14 -4.83 -0.02 -1.26 -0.24 135.00 128.40 3f3y n PRO 208 Ca 0.03 1.44 0.01 0.00 -2.02 0.00 0.00 63.50 62.97 3f3y n PRO 208 Cb 0.52 -2.23 0.30 0.00 -0.02 0.00 0.00 33.50 32.07 3f3y n PRO 208 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3f3y h GLU 209 N 0.00 0.83 -0.18 -0.52 3.07 -1.99 -1.40 114.58 114.39 3f3y h GLU 209 Ca 0.52 -0.06 -0.11 0.00 -0.50 0.00 0.00 59.36 59.21 3f3y h GLU 209 Cb 0.97 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 3f3y h GLU 209 CO -0.93 0.56 -0.34 0.93 -1.40 0.00 0.00 179.01 177.84 3f3y h GLU 210 N 0.86 0.54 -0.55 2.33 5.08 -0.86 -2.61 114.58 119.37 3f3y h GLU 210 Ca 0.23 -0.35 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3f3y h GLU 210 Cb -0.08 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3f3y h GLU 210 CO -0.05 0.96 0.34 1.25 -1.00 0.00 0.00 179.01 180.51 3f3y h LEU 211 N 0.19 0.58 -1.45 1.33 5.85 -1.16 -1.97 115.31 118.67 3f3y h LEU 211 Ca 0.01 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3f3y h LEU 211 Cb 0.93 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 3f3y h LEU 211 CO 0.08 0.41 0.42 0.78 -0.34 0.00 0.00 178.44 179.78 3f3y h ASN 212 N 0.69 0.61 1.36 1.25 2.35 -1.12 -0.31 115.58 120.41 3f3y h ASN 212 Ca 0.21 -0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.84 3f3y h ASN 212 Cb -0.03 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 3f3y h ASN 212 CO -0.07 0.41 -0.54 0.25 -1.65 0.00 0.00 177.43 175.83 3f3y h LEU 213 N 0.71 0.00 0.01 1.61 5.85 -1.05 -1.11 115.31 121.32 3f3y h LEU 213 Ca 0.26 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.78 3f3y h LEU 213 Cb 0.14 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.19 3f3y h LEU 213 CO -0.07 0.54 -0.80 0.40 -0.34 0.00 0.00 178.44 178.17 3f3y h ILE 214 N 0.00 1.37 -0.41 4.05 2.04 -0.51 -1.09 117.51 122.96 3f3y h ILE 214 Ca -0.01 -2.17 0.07 0.00 1.00 0.00 0.00 64.86 63.76 3f3y h ILE 214 Cb 1.37 2.54 -0.06 0.00 -0.74 0.00 0.00 36.82 39.92 3f3y h ILE 214 CO 0.07 0.65 0.02 -0.07 0.00 0.00 0.00 178.15 178.81 3f3y h LEU 215 N 0.09 -0.14 -0.26 1.44 3.38 -1.03 -1.58 115.31 117.22 3f3y h LEU 215 Ca -0.10 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3f3y h LEU 215 Cb 1.49 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 3f3y h LEU 215 CO 0.16 -0.03 0.12 0.50 0.09 0.00 0.00 178.44 179.27 3f3y h LYS 216 N 0.13 0.37 -0.00 1.13 3.64 -1.16 -3.24 116.57 117.44 3f3y h LYS 216 Ca 0.20 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3f3y h LYS 216 Cb 0.28 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3f3y h LYS 216 CO -0.32 0.38 -0.22 0.09 -2.27 0.00 0.00 179.45 177.10 3f3y n ASN 217 N -4.81 0.38 -0.95 4.20 3.02 -0.42 -3.20 115.26 113.48 3f3y n ASN 217 Ca -0.03 -0.16 0.08 0.00 -0.03 0.00 0.00 54.58 54.44 3f3y n ASN 217 Cb 0.11 -0.07 0.23 0.00 -0.61 0.00 0.00 39.78 39.43 3f3y n ASN 217 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3f3y n SER 218 N -1.29 3.53 -4.70 6.41 3.41 -0.61 -4.55 113.62 115.83 3f3y n SER 218 Ca 0.09 -2.22 -0.32 0.00 -0.26 0.00 0.00 58.87 56.16 3f3y n SER 218 Cb 0.32 -0.38 0.14 0.00 -0.26 0.00 0.00 64.21 64.03 3f3y n SER 218 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3f3y s SER 219 N -1.12 3.44 0.25 4.04 1.04 -1.20 -4.79 113.70 115.37 3f3y s SER 219 Ca 0.35 2.23 -0.03 0.00 0.48 0.00 0.00 55.95 58.97 3f3y s SER 219 Cb 0.21 -2.57 0.43 0.00 0.10 0.00 0.00 66.02 64.19 3f3y s SER 219 CO 0.19 -2.76 1.79 0.15 0.98 0.00 0.00 173.24 173.60 3f3y h PHE 220 N -1.30 0.82 -0.14 5.02 3.57 -1.94 -1.45 116.94 121.53 3f3y h PHE 220 Ca -0.45 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 60.93 3f3y h PHE 220 Cb 1.28 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 39.78 3f3y h PHE 220 CO 0.50 0.29 -0.52 0.37 -2.23 0.00 0.00 178.31 176.72 3f3y h GLN 221 N 0.73 0.60 -0.20 1.11 5.75 -1.95 0.12 115.11 121.28 3f3y h GLN 221 Ca 0.41 -0.46 0.04 0.00 -0.15 0.00 0.00 58.65 58.50 3f3y h GLN 221 Cb 0.45 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.04 3f3y h GLN 221 CO -0.28 1.08 -0.06 0.77 -2.65 0.00 0.00 178.83 177.69 3f3y h SER 222 N 0.25 -0.21 -0.58 -0.69 0.02 -1.79 0.86 113.55 111.42 3f3y h SER 222 Ca -0.02 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3f3y h SER 222 Cb 1.15 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.80 3f3y h SER 222 CO 0.11 -0.08 0.23 0.24 -1.14 0.00 0.00 176.83 176.20 3f3y h MET 223 N -0.01 0.87 -0.99 3.45 2.86 -1.16 0.55 114.93 120.49 3f3y h MET 223 Ca 0.10 -0.16 0.06 0.00 -2.06 0.00 0.00 59.70 57.64 3f3y h MET 223 Cb 0.16 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.61 3f3y h MET 223 CO -0.21 0.75 0.64 -0.22 1.06 0.00 0.00 176.91 178.92 3f3y h LYS 224 N 0.80 1.14 0.00 1.72 3.64 -0.42 -2.40 116.57 121.04 3f3y h LYS 224 Ca 0.19 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3f3y h LYS 224 Cb 0.20 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3f3y h LYS 224 CO -0.02 0.76 -0.15 0.39 -2.27 0.00 0.00 179.45 178.16 3f3y n GLU 225 N -4.50 0.14 -2.97 1.90 -0.58 0.27 -4.78 120.64 110.11 3f3y n GLU 225 Ca 0.15 0.09 -0.43 0.00 -0.42 0.00 0.00 57.16 56.55 3f3y n GLU 225 Cb 0.16 -1.64 -0.05 0.00 -0.57 0.00 0.00 31.44 29.34 3f3y n GLU 225 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3f3y s ASN 226 N -3.73 6.42 0.47 1.62 2.47 0.10 -4.94 114.94 117.35 3f3y s ASN 226 Ca 0.11 -0.06 0.22 0.00 0.42 0.00 0.00 52.86 53.55 3f3y s ASN 226 Cb 0.16 -2.38 1.23 0.00 -1.45 0.00 0.00 41.25 38.80 3f3y s ASN 226 CO 0.60 -0.89 1.92 0.11 -3.72 0.00 0.00 177.10 175.13 3f3y h LYS 227 N 8.91 0.22 0.00 0.43 1.57 -1.86 -0.18 116.57 125.66 3f3y h LYS 227 Ca -0.25 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.41 3f3y h LYS 227 Cb 1.09 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 3f3y h LYS 227 CO 0.95 0.15 -0.52 0.52 -0.57 0.00 0.00 179.45 179.97 3f3y h MET 228 N 0.23 0.00 0.00 3.15 2.86 -1.86 -3.33 114.93 115.98 3f3y h MET 228 Ca 0.37 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 3f3y h MET 228 Cb 1.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.78 3f3y h MET 228 CO -0.08 0.52 -1.22 0.43 1.06 0.00 0.00 176.91 177.62 3f3y n SER 229 N -3.54 0.89 -0.89 1.22 7.64 -0.17 -1.50 113.62 117.28 3f3y n SER 229 Ca -0.00 -0.51 0.12 0.00 1.01 0.00 0.00 58.87 59.48 3f3y n SER 229 Cb 0.61 1.34 0.25 0.00 -1.01 0.00 0.00 64.21 65.41 3f3y n SER 229 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3f3y n ASN 230 N -1.70 2.71 0.00 6.43 0.23 -0.65 -4.92 115.26 117.36 3f3y n ASN 230 Ca 0.00 -1.87 0.00 0.00 -0.53 0.00 0.00 54.58 52.18 3f3y n ASN 230 Cb 0.34 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 3f3y n ASN 230 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3f3y n TYR 231 N 1.04 0.00 0.26 -2.53 4.02 -1.26 -4.21 117.16 114.48 3f3y n TYR 231 Ca 0.17 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 58.13 3f3y n TYR 231 Cb 0.52 -0.41 0.34 0.00 -0.02 0.00 0.00 39.34 39.77 3f3y n TYR 231 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3f3y n SER 232 N -0.14 0.30 -0.38 7.72 3.41 -1.26 -2.32 113.62 120.95 3f3y n SER 232 Ca 0.00 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.34 3f3y n SER 232 Cb 0.07 -0.66 0.26 0.00 -0.26 0.00 0.00 64.21 63.62 3f3y n SER 232 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3f3y n LEU 233 N -1.86 1.47 -4.68 1.04 4.77 -1.26 -4.94 117.00 111.54 3f3y n LEU 233 Ca 0.01 -0.47 -0.40 0.00 -0.03 0.00 0.00 56.01 55.12 3f3y n LEU 233 Cb 0.11 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3f3y n LEU 233 CO 0.10 0.27 0.79 0.18 -1.33 0.00 0.00 177.39 177.41 3f3y n LEU 234 N -0.29 4.18 -4.77 2.23 4.77 -0.98 -4.95 117.00 117.19 3f3y n LEU 234 Ca 0.12 0.99 -0.35 0.00 -0.03 0.00 0.00 56.01 56.74 3f3y n LEU 234 Cb 0.40 -1.48 0.01 0.00 -2.33 0.00 0.00 43.42 40.02 3f3y n LEU 234 CO 0.25 -1.02 0.81 -0.55 -1.33 0.00 0.00 177.39 175.55 3f3y s SER 235 N -0.83 5.53 0.00 -1.43 0.15 -1.26 -4.91 113.70 110.95 3f3y s SER 235 Ca 0.68 2.26 0.05 0.00 0.70 0.00 0.00 55.95 59.64 3f3y s SER 235 Cb -0.47 -2.59 0.23 0.00 -1.71 0.00 0.00 66.02 61.48 3f3y s SER 235 CO 0.53 -1.35 1.17 0.55 1.20 0.00 0.00 173.24 175.33 3f3y n VAL 236 N -1.40 1.63 0.31 4.45 3.14 -1.26 -1.52 118.33 123.68 3f3y n VAL 236 Ca 0.12 0.41 0.15 0.00 -2.96 0.00 0.00 64.34 62.06 3f3y n VAL 236 Cb 0.50 -1.32 0.58 0.00 -1.06 0.00 0.00 33.84 32.55 3f3y n VAL 236 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 3f3y h ASP 237 N 0.00 0.00 0.00 6.55 5.19 -2.02 -3.29 116.42 122.85 3f3y h ASP 237 Ca 0.00 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.21 3f3y h ASP 237 Cb 0.09 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.56 3f3y h ASP 237 CO 0.00 0.00 -1.85 -1.22 -3.12 0.00 0.00 179.24 173.05 3f3y n TYR 238 N -2.86 0.00 -3.87 4.55 4.02 -0.58 -4.90 117.16 113.51 3f3y n TYR 238 Ca 0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.79 3f3y n TYR 238 Cb 0.31 -0.59 -0.10 0.00 -0.02 0.00 0.00 39.34 38.94 3f3y n TYR 238 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3f3y s VAL 239 N -2.40 0.07 0.01 -0.72 0.11 -1.15 -1.52 120.40 114.80 3f3y s VAL 239 Ca -0.06 -0.60 -0.01 0.00 -2.93 0.00 0.00 61.98 58.38 3f3y s VAL 239 Cb 0.05 -0.39 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 3f3y s VAL 239 CO 0.54 -0.33 0.14 0.54 -3.33 0.00 0.00 175.10 172.65 3f3y s VAL 240 N -1.16 5.06 0.00 2.04 0.11 0.29 -4.54 120.40 122.20 3f3y s VAL 240 Ca -0.12 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 3f3y s VAL 240 Cb -0.07 -3.37 0.00 0.00 -1.53 0.00 0.00 36.38 31.42 3f3y s VAL 240 CO 0.01 0.29 0.00 -0.90 -3.33 0.00 0.00 175.10 171.17 3f3y n ASP 241 N 0.90 0.00 -4.20 3.54 3.85 -1.26 -4.71 116.55 114.67 3f3y n ASP 241 Ca -0.11 0.00 -0.15 0.00 -0.71 0.00 0.00 54.79 53.82 3f3y n ASP 241 Cb 0.52 0.00 -0.10 0.00 -1.35 0.00 0.00 41.12 40.19 3f3y n ASP 241 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 3f3y s LYS 242 N 0.00 1.35 0.00 0.11 2.47 -1.26 -5.04 119.74 117.37 3f3y s LYS 242 Ca 0.00 -1.73 0.00 0.00 -1.56 0.00 0.00 55.97 52.68 3f3y s LYS 242 Cb 0.00 0.00 0.00 0.00 -1.46 0.00 0.00 37.83 36.37 3f3y s LYS 242 CO 0.00 -0.37 0.00 0.00 0.16 0.00 0.00 175.35 175.14 3f3y n ALA 243 N -0.40 0.00 -3.54 3.13 0.00 -1.26 -4.92 120.51 113.53 3f3y n ALA 243 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.05 3f3y n ALA 243 Cb 0.66 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.06 3f3y n ALA 243 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3f3y s GLN 244 N 0.00 3.44 -0.01 0.00 -1.52 -1.26 -4.92 119.66 115.38 3f3y s GLN 244 Ca 0.00 -3.04 -0.24 0.00 -1.95 0.00 0.00 55.36 50.13 3f3y s GLN 244 Cb 0.00 -4.13 -0.19 0.00 -0.22 0.00 0.00 33.01 28.46 3f3y s GLN 244 CO 0.00 -1.25 1.20 1.25 -0.25 0.00 0.00 175.29 176.25 3f3y h LEU 245 N 6.57 0.19 -7.77 2.90 5.85 -1.92 -3.37 115.31 117.76 3f3y h LEU 245 Ca 0.13 -0.59 -0.73 0.00 0.84 0.00 0.00 57.88 57.53 3f3y h LEU 245 Cb 0.88 -0.06 -0.19 0.00 0.37 0.00 0.00 40.66 41.67 3f3y h LEU 245 CO 0.86 0.75 1.13 -0.76 -0.34 0.00 0.00 178.44 180.08 3f3y s LEU 246 N -8.94 5.19 -0.03 2.25 1.43 -1.26 -4.83 118.68 112.50 3f3y s LEU 246 Ca -0.15 -2.81 -0.01 0.00 -1.03 0.00 0.00 54.13 50.12 3f3y s LEU 246 Cb 0.02 -2.38 -0.00 0.00 0.03 0.00 0.00 46.19 43.86 3f3y s LEU 246 CO 0.72 -0.78 -0.03 -0.09 0.23 0.00 0.00 176.35 176.40 3f3y h ARG 247 N 7.53 0.00 0.00 1.70 2.43 -2.01 -3.48 114.38 120.55 3f3y h ARG 247 Ca 0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3f3y h ARG 247 Cb 0.91 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 3f3y h ARG 247 CO 1.18 0.00 -0.45 1.17 -1.51 0.00 0.00 179.97 180.36 3f3y n LYS 248 N -2.71 0.19 -2.21 0.20 4.81 -1.26 -5.06 118.16 112.11 3f3y n LYS 248 Ca -0.01 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.39 3f3y n LYS 248 Cb 0.04 -0.72 0.00 0.00 0.02 0.00 0.00 35.03 34.37 3f3y n LYS 248 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3f3y n GLY 249 N 2.31 0.30 3.32 3.14 0.00 -1.26 -5.04 105.19 107.96 3f3y n GLY 249 Ca 0.00 -0.67 -0.17 0.00 0.00 0.00 0.00 46.02 45.18 3f3y n GLY 249 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f3y s VAL 250 N -2.39 1.12 0.42 1.61 -7.23 -1.26 -5.05 120.40 107.62 3f3y s VAL 250 Ca 0.02 -2.05 -0.20 0.00 -1.81 0.00 0.00 61.98 57.94 3f3y s VAL 250 Cb -0.01 -2.22 -0.11 0.00 0.56 0.00 0.00 36.38 34.61 3f3y s VAL 250 CO 0.03 -0.44 0.92 -0.44 -0.31 0.00 0.00 175.10 174.86 3f3y s SER 251 N -3.28 6.90 0.00 4.85 0.01 -1.26 -4.54 113.70 116.39 3f3y s SER 251 Ca 0.25 1.62 0.00 0.00 1.31 0.00 0.00 55.95 59.13 3f3y s SER 251 Cb 0.05 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.76 3f3y s SER 251 CO 0.07 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.98 3f3y n GLY 252 N -0.63 0.76 0.26 3.44 0.00 -1.26 -4.93 105.19 102.82 3f3y n GLY 252 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 3f3y n GLY 252 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3f3y h ASP 253 N 0.00 0.00 -0.82 1.61 -0.00 -1.96 -2.80 116.42 112.44 3f3y h ASP 253 Ca 0.00 0.00 0.24 0.00 -0.00 0.00 0.00 57.03 57.27 3f3y h ASP 253 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 39.30 3f3y h ASP 253 CO 0.00 0.12 0.66 4.11 -0.00 0.00 0.00 179.24 184.13 3f3y h TRP 254 N 0.00 0.00 0.00 0.28 5.08 -1.91 -0.12 115.95 119.28 3f3y h TRP 254 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3f3y h TRP 254 Cb 0.43 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.59 3f3y h TRP 254 CO 0.00 0.00 0.00 0.87 -1.28 0.00 0.00 178.44 178.03 3f3y h LYS 255 N 0.00 0.00 -0.01 0.12 1.57 -1.84 -0.57 116.57 115.84 3f3y h LYS 255 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3f3y h LYS 255 Cb 1.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.02 3f3y h LYS 255 CO -0.00 0.00 -0.05 0.09 -0.57 0.00 0.00 179.45 178.92 3f3y n ASN 256 N -2.86 1.00 0.00 0.86 3.02 -0.06 -4.36 115.26 112.86 3f3y n ASN 256 Ca 0.01 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 3f3y n ASN 256 Cb 0.26 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 3f3y n ASN 256 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3f3y n HIS 257 N -0.32 0.00 -2.20 3.10 8.25 -0.87 -5.05 115.22 118.12 3f3y n HIS 257 Ca 0.19 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.26 3f3y n HIS 257 Cb 0.29 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.39 3f3y n HIS 257 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3f3y s PHE 258 N -1.54 2.94 0.62 4.41 0.40 -0.28 -5.05 117.98 119.49 3f3y s PHE 258 Ca 0.00 1.51 -0.05 0.00 -0.60 0.00 0.00 56.93 57.79 3f3y s PHE 258 Cb 0.00 -3.48 0.03 0.00 0.51 0.00 0.00 43.02 40.08 3f3y s PHE 258 CO 0.00 -1.61 0.91 0.95 0.70 0.00 0.00 175.22 176.17 3f3y s THR 259 N -1.38 3.08 0.41 0.64 -4.23 -1.26 -4.87 115.64 108.03 3f3y s THR 259 Ca 0.58 -0.20 0.08 0.00 -1.18 0.00 0.00 61.69 60.98 3f3y s THR 259 Cb -0.33 -3.25 0.24 0.00 1.34 0.00 0.00 72.50 70.51 3f3y s THR 259 CO 0.41 -0.24 2.03 0.58 -0.54 0.00 0.00 174.62 176.86 3f3y h VAL 260 N -0.26 1.11 -0.09 2.29 2.07 -1.98 0.13 116.25 119.52 3f3y h VAL 260 Ca -0.45 -0.30 -0.13 0.00 0.82 0.00 0.00 66.70 66.64 3f3y h VAL 260 Cb 1.28 0.69 0.01 0.00 -1.52 0.00 0.00 31.29 31.75 3f3y h VAL 260 CO 0.59 0.12 -0.47 0.00 0.02 0.00 0.00 177.57 177.84 3f3y h ALA 261 N 1.74 0.18 -0.54 1.67 0.00 -1.99 0.00 119.26 120.32 3f3y h ALA 261 Ca 0.12 -0.50 0.06 0.00 0.00 0.00 0.00 54.91 54.59 3f3y h ALA 261 Cb 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3f3y h ALA 261 CO -0.02 0.34 0.25 1.96 0.00 0.00 0.00 179.25 181.78 3f3y h GLN 262 N 0.04 0.46 -0.77 0.00 4.20 -1.84 -2.38 115.11 114.82 3f3y h GLN 262 Ca -0.03 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3f3y h GLN 262 Cb 1.12 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.76 3f3y h GLN 262 CO 0.10 0.30 0.39 0.00 -0.67 0.00 0.00 178.83 178.95 3f3y h ALA 263 N 1.32 0.99 -0.63 3.87 0.00 -0.55 -1.13 119.26 123.12 3f3y h ALA 263 Ca 0.25 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3f3y h ALA 263 Cb 0.20 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3f3y h ALA 263 CO -0.20 0.53 0.09 0.93 0.00 0.00 0.00 179.25 180.61 3f3y h GLU 264 N 1.08 1.04 -0.58 0.00 5.08 -0.86 -1.88 114.58 118.45 3f3y h GLU 264 Ca 0.27 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 3f3y h GLU 264 Cb 0.09 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3f3y h GLU 264 CO -0.04 0.96 0.08 -0.44 -1.00 0.00 0.00 179.01 178.57 3f3y h ASP 265 N 0.97 0.94 -0.46 1.42 3.32 -1.04 -2.68 116.42 118.89 3f3y h ASP 265 Ca 0.19 -0.27 -0.14 0.00 0.02 0.00 0.00 57.03 56.84 3f3y h ASP 265 Cb 0.43 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3f3y h ASP 265 CO 0.01 0.97 -0.25 0.15 -1.72 0.00 0.00 179.24 178.40 3f3y h PHE 266 N 0.87 1.14 -0.08 4.55 3.04 -1.12 -0.69 116.94 124.65 3f3y h PHE 266 Ca 0.17 -0.29 0.02 0.00 3.98 0.00 0.00 57.97 61.86 3f3y h PHE 266 Cb 0.44 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.67 3f3y h PHE 266 CO 0.03 1.12 -0.05 -0.44 -2.02 0.00 0.00 178.31 176.95 3f3y h ASP 267 N 0.84 -0.15 -0.95 0.41 3.32 -1.30 1.02 116.42 119.61 3f3y h ASP 267 Ca 0.10 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.21 3f3y h ASP 267 Cb 0.83 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.42 3f3y h ASP 267 CO 0.07 -0.07 0.62 0.50 -1.72 0.00 0.00 179.24 178.65 3f3y h LYS 268 N -0.04 1.19 -0.10 3.56 3.64 -1.43 0.18 116.57 123.57 3f3y h LYS 268 Ca 0.05 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3f3y h LYS 268 Cb 0.12 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3f3y h LYS 268 CO -0.11 0.79 -0.05 1.25 -2.27 0.00 0.00 179.45 179.05 3f3y h LEU 269 N 1.23 0.21 -1.15 5.20 5.85 -0.09 -1.81 115.31 124.75 3f3y h LEU 269 Ca 0.37 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3f3y h LEU 269 Cb -0.05 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 3f3y h LEU 269 CO -0.10 0.59 0.51 0.15 -0.34 0.00 0.00 178.44 179.25 3f3y h PHE 270 N -0.16 1.05 -0.00 1.25 3.57 0.12 -1.51 116.94 121.26 3f3y h PHE 270 Ca 0.02 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.41 3f3y h PHE 270 Cb 0.51 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3f3y h PHE 270 CO 0.07 0.68 -0.59 1.96 -2.23 0.00 0.00 178.31 178.20 3f3y h GLN 271 N 1.11 0.00 0.01 1.11 1.08 -0.53 -1.80 115.11 116.10 3f3y h GLN 271 Ca 0.30 -0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.25 3f3y h GLN 271 Cb -0.09 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.36 3f3y h GLN 271 CO -0.06 0.59 -1.01 1.49 -0.95 0.00 0.00 178.83 178.88 3f3y h GLU 272 N 0.00 0.53 0.00 1.46 4.22 -0.94 -3.20 114.58 116.65 3f3y h GLU 272 Ca -0.01 -0.59 -0.09 0.00 0.08 0.00 0.00 59.36 58.75 3f3y h GLU 272 Cb 1.04 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3f3y h GLU 272 CO 0.08 1.21 -0.71 0.87 -2.18 0.00 0.00 179.01 178.28 3f3y h LYS 273 N 0.29 0.00 -0.26 1.92 1.57 -1.11 -3.34 116.57 115.64 3f3y h LYS 273 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3f3y h LYS 273 Cb 1.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.97 3f3y h LYS 273 CO 0.19 0.33 0.00 -1.33 -0.57 0.00 0.00 179.45 178.06 3f3y n MET 274 N -3.07 2.84 -0.19 3.15 2.81 -0.69 -4.54 117.12 117.42 3f3y n MET 274 Ca -0.01 -2.16 0.11 0.00 -1.81 0.00 0.00 57.70 53.83 3f3y n MET 274 Cb 0.71 -1.36 0.42 0.00 -0.71 0.00 0.00 33.22 32.28 3f3y n MET 274 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3f3y h ALA 275 N 1.60 1.89 -0.00 3.04 0.00 -1.68 -2.17 119.26 121.93 3f3y h ALA 275 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3f3y h ALA 275 Cb 0.86 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3f3y h ALA 275 CO 0.05 -0.06 -0.04 -0.40 0.00 0.00 0.00 179.25 178.80 3f3y n ASP 276 N -4.50 0.17 -4.67 0.00 3.85 -1.26 -4.80 116.55 105.33 3f3y n ASP 276 Ca 0.13 -0.38 -0.27 0.00 -0.71 0.00 0.00 54.79 53.56 3f3y n ASP 276 Cb 0.39 -0.18 -0.08 0.00 -1.35 0.00 0.00 41.12 39.90 3f3y n ASP 276 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3f3y s LEU 277 N -2.48 3.37 0.07 -2.12 1.43 -0.82 -5.09 118.68 113.04 3f3y s LEU 277 Ca 0.30 -0.33 -0.31 0.00 -1.03 0.00 0.00 54.13 52.77 3f3y s LEU 277 Cb 0.20 -2.04 -0.07 0.00 0.03 0.00 0.00 46.19 44.31 3f3y s LEU 277 CO 0.46 0.11 1.43 -2.84 0.23 0.00 0.00 176.35 175.74 3f3y s PRO 278 N -2.80 4.29 0.50 1.29 0.02 -1.26 -4.91 135.00 132.12 3f3y s PRO 278 Ca 0.27 2.08 0.21 0.00 0.02 0.00 0.00 61.00 63.58 3f3y s PRO 278 Cb -0.10 -3.41 1.27 0.00 0.02 0.00 0.00 34.50 32.29 3f3y s PRO 278 CO 0.19 -0.53 1.99 0.07 -0.33 0.00 0.00 177.00 178.39 3f3y h ARG 279 N 7.37 0.13 0.00 5.54 -0.00 -1.94 -1.67 114.38 123.80 3f3y h ARG 279 Ca -0.41 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.57 3f3y h ARG 279 Cb 1.20 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 31.14 3f3y h ARG 279 CO 0.89 0.08 0.00 1.05 -0.00 0.00 0.00 179.97 181.99 3f3y h GLU 280 N 0.13 0.00 0.00 0.08 -0.00 -1.98 -2.22 114.58 110.58 3f3y h GLU 280 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.62 3f3y h GLU 280 Cb 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.59 3f3y h GLU 280 CO -0.03 0.00 0.00 1.25 -0.00 0.00 0.00 179.01 180.23 3f3y h LEU 281 N 0.00 0.00 -7.69 3.06 5.85 -1.69 -3.40 115.31 111.43 3f3y h LEU 281 Ca 0.00 0.00 -0.67 0.00 0.84 0.00 0.00 57.88 58.05 3f3y h LEU 281 Cb 0.29 0.00 -0.39 0.00 0.37 0.00 0.00 40.66 40.93 3f3y h LEU 281 CO 0.00 0.00 -0.68 -0.36 -0.34 0.00 0.00 178.44 177.06 3f3y s PHE 282 N -3.88 3.70 0.14 1.25 0.08 -0.84 -5.03 117.98 113.41 3f3y s PHE 282 Ca -0.02 -2.91 -0.31 0.00 0.12 0.00 0.00 56.93 53.81 3f3y s PHE 282 Cb 0.11 -2.98 -0.07 0.00 -0.57 0.00 0.00 43.02 39.51 3f3y s PHE 282 CO 0.42 -0.94 1.55 -1.35 -0.10 0.00 0.00 175.22 174.80 3f3y h PRO 283 N 7.62 -0.29 -6.53 0.24 0.11 -1.86 -3.40 132.00 127.90 3f3y h PRO 283 Ca -0.06 0.02 -0.48 0.00 0.11 0.00 0.00 66.00 65.60 3f3y h PRO 283 Cb 1.02 0.07 0.24 0.00 0.11 0.00 0.00 31.00 32.43 3f3y h PRO 283 CO 0.56 -0.19 -1.37 -2.67 -0.21 0.00 0.00 178.00 174.12 3f3y n TRP 284 N -5.36 -1.57 -0.99 0.65 2.14 -1.26 -5.14 117.44 105.90 3f3y n TRP 284 Ca -0.01 0.24 0.00 0.00 2.07 0.00 0.00 57.50 59.80 3f3y n TRP 284 Cb 0.33 -1.55 0.00 0.00 -0.81 0.00 0.00 31.31 29.28 3f3y n TRP 284 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15