#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 1.98 -0.27 1.24 0.08 -1.26 -4.40 117.98 115.34 3f3y s PHE 5 Ca 0.00 -0.63 -0.17 0.00 0.12 0.00 0.00 56.93 56.25 3f3y s PHE 5 Cb 0.00 -1.07 -0.03 0.00 -0.57 0.00 0.00 43.02 41.35 3f3y s PHE 5 CO 0.00 0.36 0.48 -1.17 -0.10 0.00 0.00 175.22 174.79 3f3y s LEU 6 N -3.44 4.08 -0.21 -0.37 0.20 -0.63 -4.90 118.68 113.41 3f3y s LEU 6 Ca 0.29 0.40 -0.12 0.00 0.69 0.00 0.00 54.13 55.39 3f3y s LEU 6 Cb 0.02 -2.60 -0.05 0.00 -0.43 0.00 0.00 46.19 43.13 3f3y s LEU 6 CO 0.12 -0.29 0.22 0.26 -0.29 0.00 0.00 176.35 176.37 3f3y s TRP 7 N 2.27 3.38 -0.13 5.38 0.52 -1.26 -0.57 118.94 128.53 3f3y s TRP 7 Ca 0.19 0.39 -0.06 0.00 0.02 0.00 0.00 56.10 56.65 3f3y s TRP 7 Cb -0.16 -2.30 0.05 0.00 -1.15 0.00 0.00 33.47 29.91 3f3y s TRP 7 CO 0.10 0.14 0.29 0.12 0.02 0.00 0.00 176.95 177.62 3f3y s PHE 8 N 0.82 -0.42 -1.24 -1.98 5.36 -0.70 -4.90 117.98 114.92 3f3y s PHE 8 Ca 0.11 0.95 -0.01 0.00 -0.96 0.00 0.00 56.93 57.02 3f3y s PHE 8 Cb -0.13 0.09 0.00 0.00 -0.34 0.00 0.00 43.02 42.65 3f3y s PHE 8 CO 0.03 -0.28 0.01 0.39 -1.46 0.00 0.00 175.22 173.92 3f3y n GLU 9 N 4.42 -0.94 -0.98 10.12 -0.58 -1.26 -1.39 120.64 130.03 3f3y n GLU 9 Ca -0.22 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 3f3y n GLU 9 Cb 0.53 -2.86 0.00 0.00 -0.57 0.00 0.00 31.44 28.54 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 -2.27 0.39 3.27 0.62 0.00 -1.26 -5.01 105.19 100.93 3f3y n GLY 10 Ca -0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.87 2.18 0.18 -0.61 -1.09 -0.49 -4.91 121.20 114.58 3f3y s ILE 11 Ca 0.00 -1.01 -0.30 0.00 -2.23 0.00 0.00 60.65 57.11 3f3y s ILE 11 Cb 0.00 -1.81 -0.08 0.00 -1.58 0.00 0.00 42.46 38.99 3f3y s ILE 11 CO 0.00 0.56 1.08 0.00 -1.23 0.00 0.00 174.94 175.35 3f3y s ALA 12 N 0.01 3.36 0.22 9.38 0.00 -1.26 -1.72 121.76 131.74 3f3y s ALA 12 Ca -0.08 0.78 0.08 0.00 0.00 0.00 0.00 51.96 52.74 3f3y s ALA 12 Cb -0.15 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 3f3y s ALA 12 CO 0.05 -0.17 -0.14 -0.06 0.00 0.00 0.00 175.76 175.45 3f3y s PHE 13 N -0.31 1.77 0.61 0.00 0.40 0.27 -0.91 117.98 119.81 3f3y s PHE 13 Ca 0.48 -0.57 -0.19 0.00 -0.60 0.00 0.00 56.93 56.05 3f3y s PHE 13 Cb -0.29 -0.84 -0.02 0.00 0.51 0.00 0.00 43.02 42.38 3f3y s PHE 13 CO 0.35 0.37 1.29 -2.14 0.70 0.00 0.00 175.22 175.78 3f3y s PRO 14 N -3.65 2.77 0.19 0.24 0.02 -1.26 -1.60 135.00 131.72 3f3y s PRO 14 Ca 0.24 2.04 0.23 0.00 0.02 0.00 0.00 61.00 63.53 3f3y s PRO 14 Cb -0.00 -1.95 0.91 0.00 0.02 0.00 0.00 34.50 33.47 3f3y s PRO 14 CO 0.08 -1.42 1.69 0.25 -0.33 0.00 0.00 177.00 177.27 3f3y n THR 15 N -1.65 0.78 -4.76 0.99 -2.24 -1.26 -4.38 114.28 101.76 3f3y n THR 15 Ca 0.14 0.14 -0.32 0.00 -2.27 0.00 0.00 64.05 61.74 3f3y n THR 15 Cb 0.48 -1.01 -0.12 0.00 -2.10 0.00 0.00 70.33 67.57 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 -3.21 2.43 0.00 -0.78 -1.94 -1.26 -4.73 119.30 109.80 3f3y s MET 16 Ca 0.06 -0.76 0.00 0.00 -1.71 0.00 0.00 55.69 53.29 3f3y s MET 16 Cb 0.10 -2.37 0.00 0.00 2.01 0.00 0.00 34.83 34.58 3f3y s MET 16 CO 0.41 0.60 0.00 0.41 -0.01 0.00 0.00 175.02 176.43 3f3y n GLY 17 N 2.01 0.81 3.05 -0.03 0.00 -1.26 -5.02 105.19 104.74 3f3y n GLY 17 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.16 0.72 -0.08 1.61 0.40 -1.26 -1.72 117.98 114.49 3f3y s PHE 18 Ca 0.00 -0.35 -0.07 0.00 -0.60 0.00 0.00 56.93 55.91 3f3y s PHE 18 Cb 0.00 -0.43 0.02 0.00 0.51 0.00 0.00 43.02 43.12 3f3y s PHE 18 CO 0.00 -0.04 0.22 1.03 0.70 0.00 0.00 175.22 177.13 3f3y s ARG 19 N -1.07 0.24 0.14 0.44 0.52 -1.26 -5.00 118.95 112.96 3f3y s ARG 19 Ca -0.04 0.33 -0.20 0.00 -0.52 0.00 0.00 55.73 55.30 3f3y s ARG 19 Cb -0.07 0.08 0.02 0.00 0.52 0.00 0.00 34.95 35.50 3f3y s ARG 19 CO 0.00 -0.05 1.67 0.77 0.02 0.00 0.00 175.30 177.72 3f3y h SER 20 N 6.03 -0.40 -0.75 0.23 0.02 -1.99 0.14 113.55 116.83 3f3y h SER 20 Ca -0.28 0.10 0.05 0.00 -0.84 0.00 0.00 61.79 60.81 3f3y h SER 20 Cb 1.19 0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.90 3f3y h SER 20 CO 0.37 -0.15 0.49 -0.33 -1.14 0.00 0.00 176.83 176.07 3f3y h GLU 21 N -0.09 0.83 -0.42 3.45 3.07 -2.00 -0.00 114.58 119.43 3f3y h GLU 21 Ca 0.13 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.86 3f3y h GLU 21 Cb 0.28 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 3f3y h GLU 21 CO -0.30 0.55 -0.06 1.15 -1.40 0.00 0.00 179.01 178.95 3f3y h THR 22 N 0.86 1.27 -0.26 1.13 2.02 -1.78 -2.52 112.91 113.63 3f3y h THR 22 Ca 0.31 -1.14 0.01 0.00 0.77 0.00 0.00 66.41 66.36 3f3y h THR 22 Cb 0.14 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 3f3y h THR 22 CO -0.10 0.39 0.17 -0.07 0.37 0.00 0.00 175.52 176.28 3f3y h LEU 23 N 0.61 0.28 0.13 2.58 3.38 0.80 0.25 115.31 123.33 3f3y h LEU 23 Ca 0.11 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3f3y h LEU 23 Cb 0.58 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3f3y h LEU 23 CO 0.03 0.20 -0.06 -0.09 0.09 0.00 0.00 178.44 178.62 3f3y h ARG 24 N 0.33 -0.16 -0.48 1.13 9.65 -1.13 -2.79 114.38 120.94 3f3y h ARG 24 Ca 0.10 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 3f3y h ARG 24 Cb -0.00 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 3f3y h ARG 24 CO -0.02 0.27 0.30 0.87 2.80 0.00 0.00 179.97 184.19 3f3y h LYS 25 N -0.67 0.64 -0.48 0.20 1.57 -0.96 -0.44 116.57 116.42 3f3y h LYS 25 Ca -0.02 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.80 3f3y h LYS 25 Cb 0.51 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.61 3f3y h LYS 25 CO 0.03 0.44 0.10 0.28 -0.57 0.00 0.00 179.45 179.72 3f3y h VAL 26 N 0.65 0.74 0.21 0.50 2.07 -0.53 0.43 116.25 120.31 3f3y h VAL 26 Ca 0.17 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 3f3y h VAL 26 Cb -0.05 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 3f3y h VAL 26 CO -0.04 0.04 -0.10 -0.09 0.02 0.00 0.00 177.57 177.41 3f3y h ARG 27 N 0.24 -0.27 0.00 1.57 9.65 -0.81 -3.25 114.38 121.52 3f3y h ARG 27 Ca 0.24 0.02 -0.13 0.00 -1.10 0.00 0.00 59.98 59.00 3f3y h ARG 27 Cb 0.32 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.93 3f3y h ARG 27 CO -0.31 -0.03 -1.75 -0.25 2.80 0.00 0.00 179.97 180.43 3f3y n ASP 28 N -5.12 1.94 -0.11 -3.80 8.00 -0.86 0.57 116.55 117.17 3f3y n ASP 28 Ca -0.09 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.26 3f3y n ASP 28 Cb 0.20 1.13 -0.12 0.00 -0.02 0.00 0.00 41.12 42.31 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 -2.26 0.70 -1.66 -1.24 1.02 0.13 -4.83 120.64 112.50 3f3y n GLU 29 Ca -0.13 0.09 -0.47 0.00 -0.02 0.00 0.00 57.16 56.63 3f3y n GLU 29 Cb 0.68 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.57 3f3y n GLU 29 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3f3y n PHE 30 N -3.05 2.21 -3.33 -0.32 7.35 0.11 -4.95 117.46 115.48 3f3y n PHE 30 Ca -0.39 0.27 -0.40 0.00 -0.76 0.00 0.00 57.45 56.17 3f3y n PHE 30 Cb 1.01 -2.54 -0.09 0.00 0.35 0.00 0.00 39.48 38.21 3f3y n PHE 30 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3f3y s VAL 31 N 1.35 5.13 -0.19 -2.13 1.01 -1.26 -4.48 120.40 119.83 3f3y s VAL 31 Ca 0.81 0.60 -0.20 0.00 0.00 0.00 0.00 61.98 63.20 3f3y s VAL 31 Cb -0.71 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 3f3y s VAL 31 CO 0.41 0.08 0.58 -0.63 0.00 0.00 0.00 175.10 175.55 3f3y s ILE 32 N 2.17 5.06 0.27 2.22 -1.09 -1.26 -5.06 121.20 123.51 3f3y s ILE 32 Ca 0.17 1.10 -0.09 0.00 -2.23 0.00 0.00 60.65 59.59 3f3y s ILE 32 Cb -0.16 -3.90 -0.07 0.00 -1.58 0.00 0.00 42.46 36.75 3f3y s ILE 32 CO 0.10 0.15 0.59 -0.13 -1.23 0.00 0.00 174.94 174.42 3f3y s ARG 33 N 1.72 3.79 0.58 2.79 0.52 -1.26 -4.89 118.95 122.20 3f3y s ARG 33 Ca 0.27 0.29 0.31 0.00 -0.52 0.00 0.00 55.73 56.08 3f3y s ARG 33 Cb -0.16 -2.60 1.80 0.00 0.52 0.00 0.00 34.95 34.52 3f3y s ARG 33 CO 0.10 0.25 2.23 -0.44 0.02 0.00 0.00 175.30 177.46 3f3y h ASP 34 N 2.24 0.00 -0.02 0.23 3.32 -1.97 -2.33 116.42 117.89 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 0.68 0.03 0.00 -0.62 -1.72 0.00 0.00 179.24 177.60 3f3y n GLU 35 N -3.73 1.18 -2.45 3.56 4.71 -1.26 -3.34 120.64 119.32 3f3y n GLU 35 Ca -0.03 -0.27 -0.37 0.00 -0.01 0.00 0.00 57.16 56.48 3f3y n GLU 35 Cb 0.12 -1.44 -0.03 0.00 -1.01 0.00 0.00 31.44 29.07 3f3y n GLU 35 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3f3y s ASP 36 N -1.87 6.69 -0.16 1.62 -0.00 -0.88 -4.09 116.67 117.99 3f3y s ASP 36 Ca 0.40 2.16 0.00 0.00 -0.00 0.00 0.00 52.55 55.12 3f3y s ASP 36 Cb 0.19 -2.60 0.00 0.00 -0.00 0.00 0.00 42.92 40.52 3f3y s ASP 36 CO 0.32 -0.54 -0.16 -0.69 -0.00 0.00 0.00 175.17 174.10 3f3y s VAL 37 N -1.54 2.59 -0.11 -1.27 1.01 -0.21 -2.44 120.40 118.43 3f3y s VAL 37 Ca 0.57 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.77 3f3y s VAL 37 Cb -0.26 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.05 3f3y s VAL 37 CO 0.32 0.52 -0.16 -0.63 0.00 0.00 0.00 175.10 175.15 3f3y s ILE 38 N 0.85 1.57 -0.25 2.22 1.01 0.01 -2.17 121.20 124.45 3f3y s ILE 38 Ca -0.05 -0.69 -0.21 0.00 0.00 0.00 0.00 60.65 59.71 3f3y s ILE 38 Cb -0.15 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 3f3y s ILE 38 CO -0.01 0.46 0.66 -0.63 0.00 0.00 0.00 174.94 175.42 3f3y s ILE 39 N 0.96 4.96 -0.30 2.92 1.01 -0.55 -0.21 121.20 129.99 3f3y s ILE 39 Ca -0.07 1.21 -0.04 0.00 0.00 0.00 0.00 60.65 61.75 3f3y s ILE 39 Cb -0.15 -3.96 0.04 0.00 0.01 0.00 0.00 42.46 38.39 3f3y s ILE 39 CO -0.02 0.02 0.03 -0.76 0.00 0.00 0.00 174.94 174.22 3f3y s LEU 40 N 2.50 3.88 0.07 2.97 1.43 0.12 -1.33 118.68 128.34 3f3y s LEU 40 Ca 0.28 -1.06 0.03 0.00 -1.03 0.00 0.00 54.13 52.35 3f3y s LEU 40 Cb -0.15 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 3f3y s LEU 40 CO 0.08 -0.24 -0.10 0.42 0.23 0.00 0.00 176.35 176.74 3f3y s THR 41 N 1.35 0.80 0.32 5.49 -4.23 -0.96 -1.69 115.64 116.73 3f3y s THR 41 Ca -0.02 -1.43 -0.27 0.00 -1.18 0.00 0.00 61.69 58.79 3f3y s THR 41 Cb -0.19 -1.09 -0.09 0.00 1.34 0.00 0.00 72.50 72.47 3f3y s THR 41 CO 0.00 -0.48 1.05 -0.47 -0.54 0.00 0.00 174.62 174.19 3f3y s TYR 42 N -2.02 3.51 0.42 3.99 5.04 -1.26 -3.81 117.35 123.23 3f3y s TYR 42 Ca -0.00 1.71 -0.26 0.00 -2.44 0.00 0.00 57.07 56.07 3f3y s TYR 42 Cb -0.06 -3.17 -0.09 0.00 0.35 0.00 0.00 41.96 38.99 3f3y s TYR 42 CO -0.00 -0.42 1.45 -2.14 -1.34 0.00 0.00 175.55 173.09 3f3y s PRO 43 N -1.85 3.86 -0.37 4.97 0.02 -1.26 -2.81 135.00 137.56 3f3y s PRO 43 Ca 0.49 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.98 3f3y s PRO 43 Cb -0.27 -2.78 0.00 0.00 0.02 0.00 0.00 34.50 31.47 3f3y s PRO 43 CO 0.34 -0.70 0.00 1.63 -0.33 0.00 0.00 177.00 177.94 3f3y n LYS 44 N 0.07 -0.30 -0.21 5.54 4.76 -1.26 -4.93 118.16 121.83 3f3y n LYS 44 Ca 0.03 0.37 0.11 0.00 -2.87 0.00 0.00 58.31 55.95 3f3y n LYS 44 Cb 0.41 -4.06 0.21 0.00 -1.84 0.00 0.00 35.03 29.75 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 1.30 3.40 0.00 4.39 7.64 -1.13 -4.53 113.62 124.69 3f3y n SER 45 Ca -0.04 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 57.88 3f3y n SER 45 Cb 0.37 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 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 1.36 1.98 0.53 0.23 0.00 -1.26 -4.56 105.19 103.47 3f3y n GLY 46 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 -0.73 2.61 2.02 -1.92 -2.41 112.91 112.48 3f3y h THR 47 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 3f3y h THR 47 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.38 3f3y h THR 47 CO 0.00 0.00 0.23 0.78 0.37 0.00 0.00 175.52 176.90 3f3y h ASN 48 N -1.29 1.06 -0.43 4.18 4.21 -1.98 -0.96 115.58 120.37 3f3y h ASN 48 Ca -0.12 -0.20 0.09 0.00 1.21 0.00 0.00 56.30 57.27 3f3y h ASN 48 Cb 1.01 -0.28 -0.09 0.00 -1.12 0.00 0.00 38.32 37.84 3f3y h ASN 48 CO 0.17 0.98 -0.20 -0.25 -1.29 0.00 0.00 177.43 176.85 3f3y h TRP 49 N 1.08 -0.49 -0.41 1.19 7.01 -1.96 0.19 115.95 122.56 3f3y h TRP 49 Ca 0.24 0.05 -0.11 0.00 2.11 0.00 0.00 58.89 61.18 3f3y h TRP 49 Cb 0.30 0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.62 3f3y h TRP 49 CO 0.02 -0.28 -0.18 1.25 -2.79 0.00 0.00 178.44 176.47 3f3y h LEU 50 N -0.11 0.78 -0.92 0.65 5.85 -0.96 -0.99 115.31 119.62 3f3y h LEU 50 Ca 0.21 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3f3y h LEU 50 Cb 0.43 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3f3y h LEU 50 CO -0.50 0.96 0.52 0.00 -0.34 0.00 0.00 178.44 179.07 3f3y h ALA 51 N 1.11 1.17 -0.15 1.25 0.00 -0.78 0.18 119.26 122.03 3f3y h ALA 51 Ca 0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3f3y h ALA 51 Cb 0.68 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3f3y h ALA 51 CO 0.05 0.67 -0.02 1.49 0.00 0.00 0.00 179.25 181.44 3f3y h GLU 52 N 1.28 0.29 -0.49 0.00 4.57 -0.23 -0.74 114.58 119.25 3f3y h GLU 52 Ca 0.32 -0.10 0.08 0.00 -1.18 0.00 0.00 59.36 58.49 3f3y h GLU 52 Cb 0.00 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.51 3f3y h GLU 52 CO -0.05 0.54 0.09 0.82 -1.18 0.00 0.00 179.01 179.23 3f3y h ILE 53 N 0.00 0.72 -0.30 2.32 2.04 -1.00 -1.49 117.51 119.80 3f3y h ILE 53 Ca 0.04 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3f3y h ILE 53 Cb 0.43 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3f3y h ILE 53 CO 0.01 0.04 0.15 -0.07 0.00 0.00 0.00 178.15 178.29 3f3y h LEU 54 N 0.22 0.38 -1.19 1.44 3.38 -0.43 0.17 115.31 119.29 3f3y h LEU 54 Ca 0.24 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.19 3f3y h LEU 54 Cb 0.33 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 3f3y h LEU 54 CO -0.32 0.38 0.58 0.00 0.09 0.00 0.00 178.44 179.16 3f3y h LEU 56 N 0.92 0.63 -0.85 0.00 3.38 -0.22 -1.91 115.31 117.27 3f3y h LEU 56 Ca 0.40 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3f3y h LEU 56 Cb 0.34 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3f3y h LEU 56 CO -0.17 1.15 0.07 0.24 0.09 0.00 0.00 178.44 179.82 3f3y h MET 57 N 0.37 0.93 -0.28 1.13 2.86 -0.55 0.17 114.93 119.55 3f3y h MET 57 Ca -0.03 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.32 3f3y h MET 57 Cb 1.30 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.83 3f3y h MET 57 CO 0.13 0.88 -0.05 1.25 1.06 0.00 0.00 176.91 180.18 3f3y h HIS 58 N 0.87 0.46 -0.61 -0.22 -0.00 -1.16 -2.54 115.15 111.96 3f3y h HIS 58 Ca 0.17 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.50 3f3y h HIS 58 Cb 0.42 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.70 3f3y h HIS 58 CO 0.03 0.49 0.00 -1.13 -0.00 0.00 0.00 177.93 177.32 3f3y n SER 59 N -4.27 4.39 -4.18 3.26 3.41 -0.74 -4.97 113.62 110.52 3f3y n SER 59 Ca 0.01 -2.36 -0.32 0.00 -0.26 0.00 0.00 58.87 55.93 3f3y n SER 59 Cb 0.26 -0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 63.64 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 1.04 -2.57 -0.02 4.33 4.01 -0.52 -2.52 118.16 121.91 3f3y n LYS 60 Ca 0.24 0.31 0.00 0.00 -0.51 0.00 0.00 58.31 58.35 3f3y n LYS 60 Cb 0.80 -4.60 0.00 0.00 -0.51 0.00 0.00 35.03 30.72 3f3y n LYS 60 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3f3y n GLY 61 N -1.78 0.36 3.62 0.72 0.00 0.47 -4.72 105.19 103.87 3f3y n GLY 61 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.36 6.72 0.00 1.61 -1.08 -1.05 -4.49 116.67 116.01 3f3y s ASP 62 Ca 0.00 0.98 0.20 0.00 -0.52 0.00 0.00 52.55 53.21 3f3y s ASP 62 Cb 0.00 -2.54 1.12 0.00 -1.46 0.00 0.00 42.92 40.04 3f3y s ASP 62 CO 0.00 -1.08 1.58 0.00 0.52 0.00 0.00 175.17 176.18 3f3y n ALA 63 N 7.53 2.18 -0.19 3.66 0.00 -1.26 -4.22 120.51 128.20 3f3y n ALA 63 Ca 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 53.44 53.44 3f3y n ALA 63 Cb 0.47 -1.32 0.05 0.00 0.00 0.00 0.00 19.45 18.65 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 0.00 -0.02 0.00 0.00 3.64 -1.97 -1.99 116.57 116.23 3f3y h LYS 64 Ca 0.00 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 3f3y h LYS 64 Cb 0.05 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3f3y h LYS 64 CO 0.00 -0.01 -1.13 -1.49 -2.27 0.00 0.00 179.45 174.55 3f3y h TRP 65 N -0.02 0.00 0.00 1.91 6.55 -1.98 -3.18 115.95 119.22 3f3y h TRP 65 Ca 0.28 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.12 3f3y h TRP 65 Cb 0.45 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.75 3f3y h TRP 65 CO -0.50 0.71 0.00 0.44 -1.05 0.00 0.00 178.44 178.04 3f3y n ILE 66 N -3.10 0.52 0.84 1.49 -5.35 -0.86 -1.84 119.36 111.05 3f3y n ILE 66 Ca -0.06 0.04 0.09 0.00 -0.27 0.00 0.00 62.75 62.56 3f3y n ILE 66 Cb 0.87 -0.75 0.02 0.00 -1.74 0.00 0.00 39.64 38.04 3f3y n ILE 66 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3f3y n GLN 67 N -1.77 1.58 -0.00 6.28 6.02 -0.80 -4.53 117.38 124.15 3f3y n GLN 67 Ca 0.05 -1.15 0.00 0.00 -0.01 0.00 0.00 57.00 55.89 3f3y n GLN 67 Cb 0.30 -1.37 -0.01 0.00 1.02 0.00 0.00 30.24 30.18 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 0.31 4.08 -4.08 1.08 3.41 -1.15 -4.78 113.62 112.49 3f3y n SER 68 Ca 0.09 -0.08 -0.30 0.00 -0.26 0.00 0.00 58.87 58.32 3f3y n SER 68 Cb 0.43 1.03 -0.17 0.00 -0.26 0.00 0.00 64.21 65.25 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 -1.91 1.68 0.49 -3.33 1.01 -0.77 -5.09 120.40 112.48 3f3y s VAL 69 Ca -0.00 -0.74 -0.24 0.00 0.00 0.00 0.00 61.98 61.00 3f3y s VAL 69 Cb 0.01 -1.53 -0.07 0.00 0.00 0.00 0.00 36.38 34.78 3f3y s VAL 69 CO 0.04 0.48 1.37 -0.81 0.00 0.00 0.00 175.10 176.17 3f3y n PRO 70 N 4.34 1.95 -0.36 2.72 -0.04 -1.26 -4.68 135.00 137.67 3f3y n PRO 70 Ca -0.19 0.70 0.11 0.00 -0.04 0.00 0.00 63.50 64.08 3f3y n PRO 70 Cb 0.51 -2.56 0.29 0.00 -0.04 0.00 0.00 33.50 31.70 3f3y n PRO 70 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3f3y h ILE 71 N 1.88 0.79 0.00 0.52 2.10 -1.28 -1.92 117.51 119.59 3f3y h ILE 71 Ca -0.50 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.15 3f3y h ILE 71 Cb 1.29 -0.14 0.00 0.00 -1.09 0.00 0.00 36.82 36.88 3f3y h ILE 71 CO 0.59 0.16 0.00 -2.67 -1.08 0.00 0.00 178.15 175.15 3f3y n TRP 72 N -4.71 0.00 -0.07 2.19 2.14 -1.26 -0.94 117.44 114.79 3f3y n TRP 72 Ca 0.22 0.00 -0.03 0.00 2.07 0.00 0.00 57.50 59.75 3f3y n TRP 72 Cb 0.49 -0.14 -0.16 0.00 -0.81 0.00 0.00 31.31 30.69 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 -1.14 0.76 0.04 -2.67 1.02 -0.74 -2.86 120.64 115.05 3f3y n GLU 73 Ca 0.15 -0.07 -0.17 0.00 -0.02 0.00 0.00 57.16 57.05 3f3y n GLU 73 Cb 0.13 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 29.98 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 0.60 -2.71 3.49 3.08 -1.13 -3.38 114.38 114.32 3f3y h ARG 74 Ca -0.36 -0.61 -0.60 0.00 0.07 0.00 0.00 59.98 58.47 3f3y h ARG 74 Cb 1.81 0.16 -0.40 0.00 0.08 0.00 0.00 29.97 31.63 3f3y h ARG 74 CO 0.02 1.22 -0.79 0.45 -1.07 0.00 0.00 179.97 179.80 3f3y s SER 75 N -7.18 3.00 0.77 7.04 0.15 -0.11 -4.56 113.70 112.81 3f3y s SER 75 Ca -0.08 -3.30 -0.11 0.00 0.70 0.00 0.00 55.95 53.16 3f3y s SER 75 Cb 0.08 -0.96 0.06 0.00 -1.71 0.00 0.00 66.02 63.49 3f3y s SER 75 CO 0.90 -0.15 1.10 -2.16 1.20 0.00 0.00 173.24 174.12 3f3y s PRO 76 N -0.46 2.19 -0.30 5.44 0.04 -1.14 -4.26 135.00 136.51 3f3y s PRO 76 Ca 0.28 1.24 -0.26 0.00 0.04 0.00 0.00 61.00 62.29 3f3y s PRO 76 Cb -0.03 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.63 3f3y s PRO 76 CO -0.16 -1.70 0.92 -1.58 0.04 0.00 0.00 177.00 174.52 3f3y s TRP 77 N -2.81 3.20 0.34 0.56 0.51 -1.26 -0.19 118.94 119.29 3f3y s TRP 77 Ca 0.62 1.03 0.04 0.00 -2.12 0.00 0.00 56.10 55.68 3f3y s TRP 77 Cb -0.18 -3.40 0.67 0.00 -0.81 0.00 0.00 33.47 29.75 3f3y s TRP 77 CO 0.54 -0.63 1.92 -0.24 -0.51 0.00 0.00 176.95 178.04 3f3y h VAL 78 N 5.63 1.00 0.00 4.03 3.04 -1.71 -2.23 116.25 126.01 3f3y h VAL 78 Ca -0.22 -0.29 -0.07 0.00 -1.01 0.00 0.00 66.70 65.11 3f3y h VAL 78 Cb 1.08 0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 30.42 3f3y h VAL 78 CO 0.95 0.16 -0.31 1.05 -1.01 0.00 0.00 177.57 178.40 3f3y h GLU 79 N 0.85 0.00 -7.29 4.17 9.09 -1.92 -2.90 114.58 116.57 3f3y h GLU 79 Ca 0.37 0.00 -0.51 0.00 0.05 0.00 0.00 59.36 59.27 3f3y h GLU 79 Cb 0.33 0.00 0.13 0.00 -1.65 0.00 0.00 28.75 27.56 3f3y h GLU 79 CO -0.14 0.31 0.33 -1.54 0.05 0.00 0.00 179.01 178.01 3f3y s SER 80 N -6.34 4.57 0.07 3.06 1.04 -0.84 -4.69 113.70 110.57 3f3y s SER 80 Ca 0.00 1.87 -0.18 0.00 0.48 0.00 0.00 55.95 58.12 3f3y s SER 80 Cb 0.11 -2.53 -0.11 0.00 0.10 0.00 0.00 66.02 63.59 3f3y s SER 80 CO 0.67 -1.99 1.41 -0.33 0.98 0.00 0.00 173.24 173.98 3f3y h GLU 81 N -0.93 0.48 -0.32 4.02 5.08 -1.62 0.18 114.58 121.46 3f3y h GLU 81 Ca -0.44 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 57.67 3f3y h GLU 81 Cb 1.24 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3f3y h GLU 81 CO 0.52 0.78 0.10 0.82 -1.00 0.00 0.00 179.01 180.22 3f3y h ILE 82 N 0.18 1.21 0.15 3.13 2.04 -1.89 -1.24 117.51 121.08 3f3y h ILE 82 Ca 0.04 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 3f3y h ILE 82 Cb 0.65 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3f3y h ILE 82 CO 0.04 0.23 -0.11 1.23 0.00 0.00 0.00 178.15 179.54 3f3y h GLY 83 N 0.36 -0.25 0.63 5.37 0.00 -1.65 0.53 103.07 108.06 3f3y h GLY 83 Ca 0.10 0.12 0.07 0.00 0.00 0.00 0.00 47.33 47.63 3f3y h GLY 83 CO -0.00 -0.11 0.48 -1.82 0.00 0.00 0.00 176.54 175.08 3f3y h TYR 84 N -0.26 0.87 0.32 5.60 3.20 -0.43 -1.23 116.97 125.05 3f3y h TYR 84 Ca -0.01 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 3f3y h TYR 84 Cb 0.23 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.23 3f3y h TYR 84 CO -0.10 0.40 -0.16 1.15 -1.64 0.00 0.00 178.16 177.82 3f3y h THR 85 N 0.84 0.63 -0.51 1.81 2.02 -1.01 -3.30 112.91 113.39 3f3y h THR 85 Ca 0.37 -0.64 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 3f3y h THR 85 Cb 0.25 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 3f3y h THR 85 CO -0.21 0.11 0.09 0.00 0.37 0.00 0.00 175.52 175.89 3f3y h ALA 86 N -0.34 1.20 -0.20 6.16 0.00 -0.68 -2.70 119.26 122.70 3f3y h ALA 86 Ca -0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3f3y h ALA 86 Cb 0.52 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3f3y h ALA 86 CO 0.07 0.54 -0.00 -0.07 0.00 0.00 0.00 179.25 179.79 3f3y h LEU 87 N 0.77 0.26 -1.60 0.00 3.38 -1.33 -1.84 115.31 114.94 3f3y h LEU 87 Ca 0.16 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3f3y h LEU 87 Cb 0.33 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3f3y h LEU 87 CO 0.00 0.31 -0.20 0.28 0.09 0.00 0.00 178.44 178.92 3f3y h SER 88 N 0.28 0.00 -0.21 -0.43 0.02 -1.56 -2.60 113.55 109.06 3f3y h SER 88 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3f3y h SER 88 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3f3y h SER 88 CO 0.00 0.20 0.00 -0.62 -1.14 0.00 0.00 176.83 175.28 3f3y n GLU 89 N -3.75 2.06 -3.97 3.45 -0.58 -0.71 -4.93 120.64 112.21 3f3y n GLU 89 Ca -0.02 -1.58 -0.35 0.00 -0.42 0.00 0.00 57.16 54.80 3f3y n GLU 89 Cb 0.31 -1.45 -0.09 0.00 -0.57 0.00 0.00 31.44 29.64 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 -1.74 4.92 0.55 2.62 2.01 -0.98 -5.08 115.64 117.94 3f3y s THR 90 Ca 0.34 0.01 -0.18 0.00 0.31 0.00 0.00 61.69 62.17 3f3y s THR 90 Cb 0.20 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.45 3f3y s THR 90 CO 0.29 0.48 1.08 -1.61 -0.69 0.00 0.00 174.62 174.17 3f3y s GLU 91 N 0.18 3.40 0.79 4.92 2.02 -1.26 -4.95 118.70 123.81 3f3y s GLU 91 Ca 0.05 1.41 -0.13 0.00 0.02 0.00 0.00 54.97 56.33 3f3y s GLU 91 Cb -0.12 -2.03 0.07 0.00 0.10 0.00 0.00 34.13 32.15 3f3y s GLU 91 CO 0.00 -0.77 1.15 -1.12 0.02 0.00 0.00 175.26 174.55 3f3y s SER 92 N -2.18 3.94 0.07 -0.19 0.01 -1.26 -4.24 113.70 109.85 3f3y s SER 92 Ca 0.68 2.16 -0.26 0.00 1.31 0.00 0.00 55.95 59.84 3f3y s SER 92 Cb -0.19 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.41 3f3y s SER 92 CO 0.29 -2.42 0.80 -2.16 0.41 0.00 0.00 173.24 170.16 3f3y s PRO 93 N -4.36 4.54 -0.06 12.44 0.05 -1.26 -5.14 135.00 141.21 3f3y s PRO 93 Ca 0.68 1.15 -0.17 0.00 0.05 0.00 0.00 61.00 62.72 3f3y s PRO 93 Cb -0.24 -3.35 -0.05 0.00 0.05 0.00 0.00 34.50 30.91 3f3y s PRO 93 CO 0.51 0.30 0.44 1.03 0.05 0.00 0.00 177.00 179.33 3f3y s ARG 94 N -0.17 4.15 -0.08 4.56 0.52 -1.26 -4.98 118.95 121.70 3f3y s ARG 94 Ca 0.40 0.43 -0.00 0.00 -0.52 0.00 0.00 55.73 56.04 3f3y s ARG 94 Cb -0.21 -3.33 -0.03 0.00 0.52 0.00 0.00 34.95 31.90 3f3y s ARG 94 CO 0.25 0.42 -0.06 -1.17 0.02 0.00 0.00 175.30 174.76 3f3y s LEU 95 N -0.22 3.23 0.32 2.53 2.96 -1.26 -1.04 118.68 125.20 3f3y s LEU 95 Ca 0.25 -0.01 -0.18 0.00 -0.22 0.00 0.00 54.13 53.96 3f3y s LEU 95 Cb -0.16 -1.72 0.03 0.00 0.50 0.00 0.00 46.19 44.85 3f3y s LEU 95 CO 0.12 0.34 0.73 0.72 -1.32 0.00 0.00 176.35 176.94 3f3y s PHE 96 N -0.68 -0.01 0.18 5.38 -0.12 -0.92 -4.34 117.98 117.47 3f3y s PHE 96 Ca 0.10 -0.53 0.08 0.00 -0.05 0.00 0.00 56.93 56.53 3f3y s PHE 96 Cb -0.11 0.72 -0.04 0.00 -0.63 0.00 0.00 43.02 42.96 3f3y s PHE 96 CO 0.02 -1.37 -0.16 -1.12 -0.05 0.00 0.00 175.22 172.54 3f3y s SER 97 N -2.99 2.57 -0.14 1.98 0.01 0.73 -1.49 113.70 114.37 3f3y s SER 97 Ca 0.14 -0.92 -0.20 0.00 1.31 0.00 0.00 55.95 56.28 3f3y s SER 97 Cb -0.05 -0.14 0.05 0.00 0.21 0.00 0.00 66.02 66.09 3f3y s SER 97 CO 0.09 -0.10 0.51 -0.55 0.41 0.00 0.00 173.24 173.61 3f3y s SER 98 N -2.90 -0.50 0.00 2.44 0.15 -0.44 -2.04 113.70 110.41 3f3y s SER 98 Ca 0.18 0.82 0.13 0.00 0.70 0.00 0.00 55.95 57.77 3f3y s SER 98 Cb -0.04 0.84 0.32 0.00 -1.71 0.00 0.00 66.02 65.43 3f3y s SER 98 CO 0.06 -0.31 1.23 1.41 1.20 0.00 0.00 173.24 176.84 3f3y n HIS 99 N 2.19 0.45 -1.68 3.44 8.25 -1.25 -2.26 115.22 124.35 3f3y n HIS 99 Ca -0.16 -0.40 -0.45 0.00 -0.26 0.00 0.00 57.72 56.45 3f3y n HIS 99 Cb 0.56 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 3f3y n HIS 99 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3f3y n LEU 100 N 0.73 3.22 -4.72 2.41 4.77 -1.26 -4.76 117.00 117.39 3f3y n LEU 100 Ca 0.13 1.11 -0.34 0.00 -0.03 0.00 0.00 56.01 56.87 3f3y n LEU 100 Cb 0.44 -1.44 0.10 0.00 -2.33 0.00 0.00 43.42 40.19 3f3y n LEU 100 CO 0.09 -0.30 0.78 -2.16 -1.33 0.00 0.00 177.39 174.47 3f3y s PRO 101 N 0.40 1.98 0.51 3.23 0.04 -1.26 -4.84 135.00 135.07 3f3y s PRO 101 Ca 0.74 1.73 0.32 0.00 0.04 0.00 0.00 61.00 63.84 3f3y s PRO 101 Cb -0.65 -1.82 1.45 0.00 0.04 0.00 0.00 34.50 33.52 3f3y s PRO 101 CO 0.42 -1.95 1.81 0.97 0.04 0.00 0.00 177.00 178.29 3f3y h ILE 102 N -0.52 0.45 0.00 0.56 2.10 -1.86 -0.25 117.51 117.99 3f3y h ILE 102 Ca -0.47 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.44 3f3y h ILE 102 Cb 1.29 0.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.38 3f3y h ILE 102 CO 0.49 0.02 0.00 0.00 -1.08 0.00 0.00 178.15 177.57 3f3y n GLN 103 N -4.29 0.22 0.00 2.19 0.00 -1.26 -2.92 117.38 111.32 3f3y n GLN 103 Ca 0.25 0.19 0.10 0.00 0.00 0.00 0.00 57.00 57.54 3f3y n GLN 103 Cb 1.14 -1.77 0.04 0.00 0.00 0.00 0.00 30.24 29.65 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 -2.16 2.27 -4.79 2.61 4.32 -0.11 -5.01 117.00 114.12 3f3y n LEU 104 Ca 0.06 -0.88 -0.37 0.00 -0.02 0.00 0.00 56.01 54.80 3f3y n LEU 104 Cb 0.41 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.15 3f3y n LEU 104 CO 0.29 0.40 0.56 0.12 -1.22 0.00 0.00 177.39 177.55 3f3y s PHE 105 N -1.95 3.68 -0.48 -1.77 5.36 -1.15 -4.11 117.98 117.57 3f3y s PHE 105 Ca 0.20 1.63 -0.43 0.00 -0.96 0.00 0.00 56.93 57.37 3f3y s PHE 105 Cb 0.16 -2.81 -0.18 0.00 -0.34 0.00 0.00 43.02 39.85 3f3y s PHE 105 CO 0.37 0.26 1.81 -2.30 -1.46 0.00 0.00 175.22 173.91 3f3y n PRO 106 N 0.64 0.00 0.08 10.12 -0.02 -1.22 -4.72 135.00 139.87 3f3y n PRO 106 Ca 0.00 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.66 3f3y n PRO 106 Cb 0.50 -1.43 0.71 0.00 -0.02 0.00 0.00 33.50 33.27 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 6.90 0.00 0.00 -0.52 -0.00 -0.11 -1.26 116.57 121.58 3f3y h LYS 107 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.41 3f3y h LYS 107 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.56 3f3y h LYS 107 CO 0.99 0.00 0.03 0.45 -0.00 0.00 0.00 179.45 180.92 3f3y n SER 108 N -4.26 0.51 0.08 7.07 2.88 -1.26 -1.87 113.62 116.76 3f3y n SER 108 Ca 0.06 0.73 -0.12 0.00 -1.33 0.00 0.00 58.87 58.22 3f3y n SER 108 Cb 0.49 -0.79 -0.04 0.00 -0.75 0.00 0.00 64.21 63.12 3f3y n SER 108 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 3f3y h PHE 109 N 0.00 0.46 0.00 0.66 3.57 -1.55 -3.35 116.94 116.74 3f3y h PHE 109 Ca 0.00 -0.26 -0.01 0.00 3.53 0.00 0.00 57.97 61.23 3f3y h PHE 109 Cb 0.06 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 3f3y h PHE 109 CO 0.00 1.09 -0.04 0.74 -2.23 0.00 0.00 178.31 177.87 3f3y h PHE 110 N 0.16 0.00 -0.55 0.41 0.04 -1.56 0.64 116.94 116.09 3f3y h PHE 110 Ca -0.07 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.60 3f3y h PHE 110 Cb 1.59 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.68 3f3y h PHE 110 CO 0.05 0.04 0.12 -1.13 -0.60 0.00 0.00 178.31 176.79 3f3y n SER 111 N -3.13 4.56 -4.56 2.17 3.41 -1.25 -4.98 113.62 109.84 3f3y n SER 111 Ca 0.01 -2.88 -0.26 0.00 -0.26 0.00 0.00 58.87 55.49 3f3y n SER 111 Cb 0.39 -0.68 -0.10 0.00 -0.26 0.00 0.00 64.21 63.56 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 -0.68 3.80 0.00 4.04 1.04 0.21 -5.03 113.70 117.08 3f3y s SER 112 Ca 0.45 -1.16 0.22 0.00 0.48 0.00 0.00 55.95 55.93 3f3y s SER 112 Cb 0.35 -0.38 0.47 0.00 0.10 0.00 0.00 66.02 66.57 3f3y s SER 112 CO 0.12 -0.20 1.41 0.29 0.98 0.00 0.00 173.24 175.84 3f3y n LYS 113 N -0.81 2.54 -1.54 4.02 5.02 -1.26 -5.00 118.16 121.13 3f3y n LYS 113 Ca -0.05 -2.36 -0.44 0.00 -2.02 0.00 0.00 58.31 53.44 3f3y n LYS 113 Cb 0.63 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.13 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 1.44 -0.86 -2.69 7.82 0.00 -1.21 -4.89 120.51 120.12 3f3y n ALA 114 Ca 0.20 0.34 -0.36 0.00 0.00 0.00 0.00 53.44 53.62 3f3y n ALA 114 Cb 0.59 -1.91 -0.09 0.00 0.00 0.00 0.00 19.45 18.04 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 -1.51 4.13 -0.07 0.00 1.02 -1.02 -4.87 119.74 117.42 3f3y s LYS 115 Ca 0.61 -0.17 0.02 0.00 0.02 0.00 0.00 55.97 56.44 3f3y s LYS 115 Cb -0.71 -3.50 -0.03 0.00 -0.52 0.00 0.00 37.83 33.08 3f3y s LYS 115 CO 0.59 0.13 -0.10 0.14 -0.92 0.00 0.00 175.35 175.19 3f3y s VAL 116 N 0.84 3.42 -0.32 3.17 -7.23 -0.81 -0.81 120.40 118.67 3f3y s VAL 116 Ca 0.10 -0.58 -0.06 0.00 -1.81 0.00 0.00 61.98 59.63 3f3y s VAL 116 Cb -0.13 -2.38 0.03 0.00 0.56 0.00 0.00 36.38 34.46 3f3y s VAL 116 CO 0.03 0.59 0.08 -0.63 -0.31 0.00 0.00 175.10 174.86 3f3y s ILE 117 N -0.64 3.76 -0.32 -0.62 1.01 0.70 -1.02 121.20 124.08 3f3y s ILE 117 Ca 0.09 -0.98 -0.15 0.00 0.00 0.00 0.00 60.65 59.62 3f3y s ILE 117 Cb -0.11 -3.05 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 3f3y s ILE 117 CO 0.01 -0.06 0.37 -0.47 0.00 0.00 0.00 174.94 174.79 3f3y s TYR 118 N 1.43 3.22 -0.26 3.97 5.04 -0.20 0.15 117.35 130.69 3f3y s TYR 118 Ca -0.00 0.12 -0.08 0.00 -2.44 0.00 0.00 57.07 54.67 3f3y s TYR 118 Cb -0.18 -2.65 -0.03 0.00 0.35 0.00 0.00 41.96 39.45 3f3y s TYR 118 CO 0.02 -0.37 0.08 -1.17 -1.34 0.00 0.00 175.55 172.77 3f3y s LEU 119 N 2.05 3.51 0.37 6.97 2.96 -0.68 -0.78 118.68 133.08 3f3y s LEU 119 Ca 0.13 -0.23 0.07 0.00 -0.22 0.00 0.00 54.13 53.89 3f3y s LEU 119 Cb -0.16 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 3f3y s LEU 119 CO 0.11 -0.05 0.37 0.00 -1.32 0.00 0.00 176.35 175.47 3f3y s MET 120 N 1.62 2.72 0.09 1.98 0.23 -0.46 -4.46 119.30 121.02 3f3y s MET 120 Ca 0.06 -1.33 -0.16 0.00 -1.03 0.00 0.00 55.69 53.23 3f3y s MET 120 Cb -0.15 -2.52 0.03 0.00 -1.53 0.00 0.00 34.83 30.66 3f3y s MET 120 CO 0.04 -0.05 0.37 0.50 -2.03 0.00 0.00 175.02 173.86 3f3y s ARG 121 N -4.10 0.98 0.01 3.16 3.52 -1.26 0.29 118.95 121.55 3f3y s ARG 121 Ca 0.45 -0.62 -0.33 0.00 -0.13 0.00 0.00 55.73 55.10 3f3y s ARG 121 Cb -0.06 0.43 -0.12 0.00 -1.56 0.00 0.00 34.95 33.64 3f3y s ARG 121 CO 0.28 -0.36 1.81 -1.71 -0.81 0.00 0.00 175.30 174.51 3f3y n ASN 122 N 0.06 3.49 0.27 -2.12 2.85 -1.26 -4.84 115.26 113.71 3f3y n ASN 122 Ca -0.17 1.00 0.12 0.00 -0.11 0.00 0.00 54.58 55.41 3f3y n ASN 122 Cb 0.62 -1.42 0.75 0.00 1.24 0.00 0.00 39.78 40.97 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 8.43 0.00 -0.28 1.20 0.13 -1.99 0.68 132.00 140.17 3f3y h PRO 123 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 3f3y h PRO 123 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 3f3y h PRO 123 CO 0.93 0.07 0.09 0.00 -0.23 0.00 0.00 178.00 178.86 3f3y h ARG 124 N 0.00 0.43 -0.76 0.86 3.08 -1.98 0.98 114.38 116.98 3f3y h ARG 124 Ca -0.00 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 3f3y h ARG 124 Cb 0.16 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 3f3y h ARG 124 CO 0.01 0.48 0.36 -0.44 -1.07 0.00 0.00 179.97 179.31 3f3y h ASP 125 N 0.29 1.00 -0.31 7.04 3.32 -1.73 -1.54 116.42 124.49 3f3y h ASP 125 Ca 0.09 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 3f3y h ASP 125 Cb 0.23 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3f3y h ASP 125 CO -0.00 0.86 0.12 0.58 -1.72 0.00 0.00 179.24 179.07 3f3y h VAL 126 N 1.08 1.19 -0.39 -1.35 2.07 -0.77 0.15 116.25 118.22 3f3y h VAL 126 Ca 0.26 -0.58 0.08 0.00 0.82 0.00 0.00 66.70 67.28 3f3y h VAL 126 Cb 0.13 0.99 -0.09 0.00 -1.52 0.00 0.00 31.29 30.80 3f3y h VAL 126 CO -0.03 0.20 -0.24 0.25 0.02 0.00 0.00 177.57 177.76 3f3y h LEU 127 N 0.35 -0.82 -0.01 2.57 6.46 0.12 -0.82 115.31 123.17 3f3y h LEU 127 Ca 0.10 0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 58.03 3f3y h LEU 127 Cb 0.20 0.41 -0.00 0.00 -0.73 0.00 0.00 40.66 40.54 3f3y h LEU 127 CO -0.01 -0.27 -0.00 0.58 -0.62 0.00 0.00 178.44 178.12 3f3y h VAL 128 N -0.18 1.30 -0.66 1.05 2.07 -1.00 -1.35 116.25 117.48 3f3y h VAL 128 Ca 0.19 -0.88 0.14 0.00 0.82 0.00 0.00 66.70 66.97 3f3y h VAL 128 Cb 0.47 1.87 -0.12 0.00 -1.52 0.00 0.00 31.29 32.00 3f3y h VAL 128 CO -0.50 0.23 -0.08 -1.28 0.02 0.00 0.00 177.57 175.96 3f3y h SER 129 N -0.35 -0.46 -0.31 0.57 0.87 -0.51 -1.83 113.55 111.54 3f3y h SER 129 Ca 0.00 0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 3f3y h SER 129 Cb 0.38 0.35 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 3f3y h SER 129 CO 0.00 -0.18 0.09 1.23 -0.53 0.00 0.00 176.83 177.44 3f3y h GLY 130 N 0.05 0.53 0.29 5.77 0.00 -1.03 -2.00 103.07 106.68 3f3y h GLY 130 Ca 0.34 -0.32 0.05 0.00 0.00 0.00 0.00 47.33 47.39 3f3y h GLY 130 CO -0.63 0.30 -0.24 -1.82 0.00 0.00 0.00 176.54 174.16 3f3y h TYR 131 N 0.35 -0.64 -0.22 5.60 5.03 -0.42 -1.54 116.97 125.14 3f3y h TYR 131 Ca 0.10 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.37 3f3y h TYR 131 Cb 0.27 0.30 -0.01 0.00 1.55 0.00 0.00 36.73 38.84 3f3y h TYR 131 CO 0.01 -0.32 -0.18 0.74 -1.32 0.00 0.00 178.16 177.08 3f3y h PHE 132 N -0.30 0.41 -0.36 -3.82 -1.00 -1.45 -3.30 116.94 107.12 3f3y h PHE 132 Ca 0.10 -0.07 -0.10 0.00 2.81 0.00 0.00 57.97 60.71 3f3y h PHE 132 Cb 0.45 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 3f3y h PHE 132 CO -0.34 0.55 -0.19 0.35 -1.61 0.00 0.00 178.31 177.07 3f3y h PHE 133 N 0.35 0.75 0.00 -0.55 3.57 -0.51 -3.26 116.94 117.28 3f3y h PHE 133 Ca 0.06 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.41 3f3y h PHE 133 Cb 0.53 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.08 3f3y h PHE 133 CO 0.01 0.81 0.00 0.91 -2.23 0.00 0.00 178.31 177.82 3f3y n TRP 134 N -4.14 0.58 0.13 0.41 5.03 -0.89 -4.00 117.44 114.56 3f3y n TRP 134 Ca 0.00 0.20 -0.14 0.00 3.03 0.00 0.00 57.50 60.60 3f3y n TRP 134 Cb 0.40 -0.83 -0.08 0.00 -1.03 0.00 0.00 31.31 29.77 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 -0.28 0.00 -0.99 1.57 -1.76 -2.34 116.57 112.77 3f3y h LYS 135 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3f3y h LYS 135 Cb 0.45 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3f3y h LYS 135 CO 0.00 -0.06 0.00 0.09 -0.57 0.00 0.00 179.45 178.91 3f3y n ASN 136 N -5.14 0.45 -4.60 0.86 3.02 -1.26 -4.71 115.26 103.88 3f3y n ASN 136 Ca -0.09 0.60 -0.43 0.00 -0.03 0.00 0.00 54.58 54.63 3f3y n ASN 136 Cb 0.19 -0.70 -0.03 0.00 -0.61 0.00 0.00 39.78 38.64 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 -3.19 3.76 0.35 3.52 -1.94 -0.88 0.20 119.30 121.13 3f3y s MET 137 Ca 0.06 0.57 0.07 0.00 -1.71 0.00 0.00 55.69 54.69 3f3y s MET 137 Cb 0.10 -3.87 0.67 0.00 2.01 0.00 0.00 34.83 33.74 3f3y s MET 137 CO 0.37 -1.22 1.86 0.87 -0.01 0.00 0.00 175.02 176.90 3f3y h LYS 138 N 8.92 0.32 0.00 2.03 1.57 -1.10 -3.17 116.57 125.13 3f3y h LYS 138 Ca -0.23 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3f3y h LYS 138 Cb 1.07 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 3f3y h LYS 138 CO 1.08 0.47 -0.02 0.74 -0.57 0.00 0.00 179.45 181.15 3f3y h PHE 139 N 0.30 0.00 -3.97 -1.35 0.04 -1.88 -3.46 116.94 106.61 3f3y h PHE 139 Ca 0.06 0.00 -0.69 0.00 2.80 0.00 0.00 57.97 60.14 3f3y h PHE 139 Cb 0.45 0.00 -0.24 0.00 2.20 0.00 0.00 35.95 38.36 3f3y h PHE 139 CO 0.01 0.02 -0.77 0.42 -0.60 0.00 0.00 178.31 177.39 3f3y s ILE 140 N -4.21 3.05 -0.29 -0.55 1.01 -1.20 -4.41 121.20 114.60 3f3y s ILE 140 Ca -0.04 -0.72 -0.29 0.00 0.00 0.00 0.00 60.65 59.60 3f3y s ILE 140 Cb 0.13 -2.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 3f3y s ILE 140 CO 0.49 0.59 1.56 -1.59 0.00 0.00 0.00 174.94 175.99 3f3y s LYS 141 N -0.63 3.68 -0.11 2.79 0.00 -1.26 -5.00 119.74 119.20 3f3y s LYS 141 Ca 0.09 1.41 -0.07 0.00 0.00 0.00 0.00 55.97 57.40 3f3y s LYS 141 Cb -0.11 -4.04 -0.04 0.00 0.00 0.00 0.00 37.83 33.64 3f3y s LYS 141 CO 0.01 -1.43 0.15 0.15 0.00 0.00 0.00 175.35 174.22 3f3y s LYS 142 N 4.85 3.45 0.57 1.78 1.02 -1.26 -5.09 119.74 125.06 3f3y s LYS 142 Ca 0.69 -0.12 -0.16 0.00 0.02 0.00 0.00 55.97 56.40 3f3y s LYS 142 Cb -0.21 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 33.87 3f3y s LYS 142 CO 0.30 0.77 1.04 -1.25 -0.92 0.00 0.00 175.35 175.29 3f3y s PRO 143 N -1.06 3.49 0.50 -1.68 0.04 -1.26 -4.95 135.00 130.09 3f3y s PRO 143 Ca 0.16 1.13 0.19 0.00 0.04 0.00 0.00 61.00 62.52 3f3y s PRO 143 Cb -0.12 -2.06 1.26 0.00 0.04 0.00 0.00 34.50 33.61 3f3y s PRO 143 CO 0.05 -0.66 2.06 1.57 0.04 0.00 0.00 177.00 180.05 3f3y h LYS 144 N 0.57 0.10 -2.87 4.56 -0.00 -1.98 -3.47 116.57 113.48 3f3y h LYS 144 Ca -0.47 -0.01 0.03 0.00 -0.00 0.00 0.00 60.65 60.20 3f3y h LYS 144 Cb 1.21 -0.02 -0.11 0.00 -0.00 0.00 0.00 32.23 33.31 3f3y h LYS 144 CO 0.59 0.06 0.27 -1.54 -0.00 0.00 0.00 179.45 178.83 3f3y s SER 145 N -6.58 -0.45 0.17 7.07 1.04 -1.26 -5.03 113.70 108.66 3f3y s SER 145 Ca -0.06 -0.16 -0.23 0.00 0.48 0.00 0.00 55.95 55.98 3f3y s SER 145 Cb 0.18 0.59 0.07 0.00 0.10 0.00 0.00 66.02 66.97 3f3y s SER 145 CO 0.71 -1.01 1.59 -0.25 0.98 0.00 0.00 173.24 175.26 3f3y h TRP 146 N 2.00 -1.00 -0.60 5.02 2.91 -1.99 -2.24 115.95 120.05 3f3y h TRP 146 Ca -0.29 0.07 -0.02 0.00 1.13 0.00 0.00 58.89 59.78 3f3y h TRP 146 Cb 1.28 0.51 -0.03 0.00 -0.51 0.00 0.00 29.16 30.41 3f3y h TRP 146 CO 0.29 -0.40 0.28 1.05 -1.03 0.00 0.00 178.44 178.63 3f3y h GLU 147 N -0.24 0.84 0.31 2.65 9.09 -1.98 0.15 114.58 125.40 3f3y h GLU 147 Ca 0.19 -0.11 -0.02 0.00 0.05 0.00 0.00 59.36 59.47 3f3y h GLU 147 Cb 0.55 -0.16 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 3f3y h GLU 147 CO -0.60 0.65 -0.15 1.49 0.05 0.00 0.00 179.01 180.45 3f3y h GLU 148 N 0.84 -0.40 -0.59 1.06 4.81 -1.92 -2.40 114.58 115.97 3f3y h GLU 148 Ca 0.21 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.56 3f3y h GLU 148 Cb 0.09 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.49 3f3y h GLU 148 CO -0.03 -0.20 0.21 -0.92 -0.73 0.00 0.00 179.01 177.34 3f3y h TYR 149 N -0.51 0.37 -0.88 0.92 3.20 -0.77 0.36 116.97 119.65 3f3y h TYR 149 Ca -0.04 0.03 0.18 0.00 3.14 0.00 0.00 58.73 62.04 3f3y h TYR 149 Cb 0.38 -0.07 -0.11 0.00 1.54 0.00 0.00 36.73 38.47 3f3y h TYR 149 CO -0.03 0.09 0.43 0.35 -1.64 0.00 0.00 178.16 177.36 3f3y h PHE 150 N 0.39 0.73 0.00 -3.82 3.57 -0.64 -0.53 116.94 116.64 3f3y h PHE 150 Ca 0.30 0.04 -0.24 0.00 3.53 0.00 0.00 57.97 61.59 3f3y h PHE 150 Cb 0.37 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 38.93 3f3y h PHE 150 CO -0.17 0.08 -0.98 0.93 -2.23 0.00 0.00 178.31 175.93 3f3y h GLU 151 N 0.53 0.50 -0.16 1.11 4.39 0.16 -2.24 114.58 118.87 3f3y h GLU 151 Ca 0.52 -0.55 0.03 0.00 0.34 0.00 0.00 59.36 59.71 3f3y h GLU 151 Cb 0.87 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.64 3f3y h GLU 151 CO -0.44 1.18 -0.06 -1.49 -1.16 0.00 0.00 179.01 177.04 3f3y h TRP 152 N 0.28 -0.13 -0.57 4.33 6.55 -0.62 -2.57 115.95 123.23 3f3y h TRP 152 Ca -0.10 0.02 0.06 0.00 0.95 0.00 0.00 58.89 59.81 3f3y h TRP 152 Cb 1.63 0.08 -0.05 0.00 -0.86 0.00 0.00 29.16 29.96 3f3y h TRP 152 CO 0.07 -0.09 0.28 0.35 -1.05 0.00 0.00 178.44 178.00 3f3y h PHE 153 N -0.03 0.52 0.00 0.49 3.57 -1.06 0.66 116.94 121.09 3f3y h PHE 153 Ca 0.08 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 3f3y h PHE 153 Cb 0.15 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3f3y h PHE 153 CO -0.20 0.24 -0.22 0.00 -2.23 0.00 0.00 178.31 175.90 3f3y n GLN 155 N -4.16 0.47 -0.42 0.00 6.02 -0.98 -4.98 117.38 113.32 3f3y n GLN 155 Ca -0.02 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 3f3y n GLN 155 Cb 0.28 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.01 3f3y n GLN 155 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3f3y n GLY 156 N 1.32 0.77 2.42 1.08 0.00 0.16 -4.83 105.19 106.11 3f3y n GLY 156 Ca -0.01 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.42 3.28 -4.30 2.61 -2.24 -0.79 -3.37 114.28 107.04 3f3y n THR 157 Ca 0.00 -2.78 -0.16 0.00 -2.27 0.00 0.00 64.05 58.84 3f3y n THR 157 Cb 0.00 -1.65 -0.10 0.00 -2.10 0.00 0.00 70.33 66.47 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 -1.77 0.64 -0.05 2.28 -7.23 -1.26 -4.86 120.40 108.14 3f3y s VAL 158 Ca 0.60 -2.00 -0.38 0.00 -1.81 0.00 0.00 61.98 58.39 3f3y s VAL 158 Cb 0.37 -2.46 -0.17 0.00 0.56 0.00 0.00 36.38 34.69 3f3y s VAL 158 CO -0.19 -0.17 1.46 0.18 -0.31 0.00 0.00 175.10 176.07 3f3y n LEU 159 N -0.39 1.78 -0.20 1.32 4.77 -1.26 -0.79 117.00 122.22 3f3y n LEU 159 Ca -0.02 1.11 -0.03 0.00 -0.03 0.00 0.00 56.01 57.04 3f3y n LEU 159 Cb 0.65 -1.15 -0.01 0.00 -2.33 0.00 0.00 43.42 40.58 3f3y n LEU 159 CO 0.36 -0.89 -0.03 -1.22 -1.33 0.00 0.00 177.39 174.28 3f3y n TYR 160 N 3.41 0.00 -4.06 -1.77 4.02 -0.09 -4.89 117.16 113.78 3f3y n TYR 160 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.10 3f3y n TYR 160 Cb 0.16 -0.84 0.00 0.00 -0.02 0.00 0.00 39.34 38.64 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 -2.41 -1.79 3.76 2.72 0.00 0.03 -4.83 105.19 102.67 3f3y n GLY 161 Ca -0.03 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.24 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 7.19 0.18 1.61 0.15 -1.22 -4.56 113.70 113.06 3f3y s SER 162 Ca 0.00 2.13 -0.11 0.00 0.70 0.00 0.00 55.95 58.67 3f3y s SER 162 Cb 0.00 -2.61 0.10 0.00 -1.71 0.00 0.00 66.02 61.80 3f3y s SER 162 CO 0.00 -0.19 1.77 -0.25 1.20 0.00 0.00 173.24 175.77 3f3y h TRP 163 N 3.47 0.94 -0.13 3.44 7.01 -1.88 -1.20 115.95 127.60 3f3y h TRP 163 Ca -0.47 -0.05 0.04 0.00 2.11 0.00 0.00 58.89 60.53 3f3y h TRP 163 Cb 1.21 -0.29 -0.05 0.00 -2.10 0.00 0.00 29.16 27.93 3f3y h TRP 163 CO 0.59 0.71 -0.17 0.74 -2.79 0.00 0.00 178.44 177.51 3f3y h PHE 164 N 0.90 -0.44 0.46 2.65 -1.00 -1.94 0.27 116.94 117.83 3f3y h PHE 164 Ca 0.22 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 61.02 3f3y h PHE 164 Cb 0.12 0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.88 3f3y h PHE 164 CO 0.00 -0.25 -0.47 -0.44 -1.61 0.00 0.00 178.31 175.55 3f3y h ASP 165 N -0.22 -1.27 -0.88 2.17 3.45 -1.94 -1.37 116.42 116.35 3f3y h ASP 165 Ca 0.10 0.10 0.17 0.00 0.43 0.00 0.00 57.03 57.83 3f3y h ASP 165 Cb 0.36 0.42 -0.16 0.00 -0.56 0.00 0.00 39.33 39.39 3f3y h ASP 165 CO -0.26 -0.62 -0.27 -0.74 -1.57 0.00 0.00 179.24 175.77 3f3y h HIS 166 N -0.94 -0.66 0.34 4.55 2.76 -0.97 0.21 115.15 120.44 3f3y h HIS 166 Ca -0.05 0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 3f3y h HIS 166 Cb 0.82 0.42 0.00 0.00 1.55 0.00 0.00 27.41 30.21 3f3y h HIS 166 CO -0.24 -0.39 -0.16 0.82 -1.30 0.00 0.00 177.93 176.66 3f3y h ILE 167 N -0.02 0.67 -0.73 6.26 1.08 -0.76 -2.78 117.51 121.23 3f3y h ILE 167 Ca 0.39 -0.43 0.16 0.00 -0.39 0.00 0.00 64.86 64.60 3f3y h ILE 167 Cb 0.63 0.89 -0.11 0.00 -3.07 0.00 0.00 36.82 35.16 3f3y h ILE 167 CO -0.91 0.08 0.13 0.45 -0.69 0.00 0.00 178.15 177.21 3f3y h HIS 168 N -0.70 0.18 -0.72 1.37 3.86 -0.49 -1.42 115.15 117.23 3f3y h HIS 168 Ca -0.05 0.05 0.16 0.00 -1.16 0.00 0.00 60.37 59.37 3f3y h HIS 168 Cb 0.48 0.03 -0.11 0.00 1.06 0.00 0.00 27.41 28.88 3f3y h HIS 168 CO 0.00 -0.13 0.16 0.78 0.86 0.00 0.00 177.93 179.61 3f3y h GLY 169 N 0.22 0.99 0.31 2.45 0.00 -0.34 -3.27 103.07 103.43 3f3y h GLY 169 Ca 0.41 -0.03 -0.11 0.00 0.00 0.00 0.00 47.33 47.60 3f3y h GLY 169 CO -0.54 -0.20 -1.85 0.79 0.00 0.00 0.00 176.54 174.74 3f3y n TRP 170 N -5.17 0.31 -0.14 5.60 7.02 -0.70 -4.51 117.44 119.85 3f3y n TRP 170 Ca 0.14 0.10 -0.04 0.00 -1.02 0.00 0.00 57.50 56.68 3f3y n TRP 170 Cb 0.45 -0.78 0.05 0.00 -2.42 0.00 0.00 31.31 28.61 3f3y n TRP 170 CO 0.00 0.00 0.00 0.52 -2.02 0.00 0.00 177.69 176.19 3f3y h MET 171 N 0.00 0.25 -1.77 -0.99 2.86 -1.34 -1.43 114.93 112.50 3f3y h MET 171 Ca -0.15 -0.01 0.53 0.00 -2.06 0.00 0.00 59.70 58.00 3f3y h MET 171 Cb 1.39 -0.06 -0.09 0.00 0.06 0.00 0.00 31.60 32.91 3f3y h MET 171 CO 0.02 0.16 1.26 -1.35 1.06 0.00 0.00 176.91 178.05 3f3y h PRO 172 N 0.25 0.01 0.00 -0.22 0.11 -1.79 0.60 132.00 130.96 3f3y h PRO 172 Ca 0.22 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3f3y h PRO 172 Cb 0.27 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.38 3f3y h PRO 172 CO -0.27 0.01 0.00 -1.33 -0.21 0.00 0.00 178.00 176.19 3f3y n MET 173 N -4.11 0.12 0.20 1.05 2.81 -0.54 -4.05 117.12 112.59 3f3y n MET 173 Ca 0.41 0.24 0.14 0.00 -1.81 0.00 0.00 57.70 56.68 3f3y n MET 173 Cb 1.83 -1.68 0.72 0.00 -0.71 0.00 0.00 33.22 33.38 3f3y n MET 173 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 3f3y h ARG 174 N 0.00 0.00 0.00 0.03 0.11 0.08 0.17 114.38 114.77 3f3y h ARG 174 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3f3y h ARG 174 Cb 0.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.53 3f3y h ARG 174 CO 0.00 0.00 -1.03 0.39 0.10 0.00 0.00 179.97 179.43 3f3y n GLU 175 N -2.43 0.08 -2.23 0.08 -0.58 -1.26 -4.82 120.64 109.48 3f3y n GLU 175 Ca -0.02 -0.02 -0.41 0.00 -0.42 0.00 0.00 57.16 56.30 3f3y n GLU 175 Cb 0.05 -1.51 -0.03 0.00 -0.57 0.00 0.00 31.44 29.38 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 -3.06 4.41 0.53 3.49 0.41 0.59 -4.91 118.70 120.16 3f3y s GLU 176 Ca 0.07 2.05 0.21 0.00 -0.41 0.00 0.00 54.97 56.89 3f3y s GLU 176 Cb 0.16 -3.17 1.36 0.00 -1.78 0.00 0.00 34.13 30.70 3f3y s GLU 176 CO 0.85 -0.19 2.08 1.57 -0.49 0.00 0.00 175.26 179.08 3f3y h LYS 177 N 4.88 0.00 -0.82 1.61 2.10 -1.92 -0.45 116.57 121.97 3f3y h LYS 177 Ca -0.46 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 57.93 3f3y h LYS 177 Cb 1.22 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 32.39 3f3y h LYS 177 CO 0.74 0.00 0.34 0.27 -2.00 0.00 0.00 179.45 178.80 3f3y n ASN 178 N -4.41 4.53 -4.07 7.07 6.94 -1.26 -4.83 115.26 119.24 3f3y n ASN 178 Ca 0.03 -3.23 -0.32 0.00 -0.02 0.00 0.00 54.58 51.04 3f3y n ASN 178 Cb 0.34 -0.76 -0.16 0.00 -2.36 0.00 0.00 39.78 36.85 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 -2.92 2.80 -0.27 -2.53 5.36 -0.18 -1.92 117.98 118.32 3f3y s PHE 179 Ca 0.53 -1.82 -0.10 0.00 -0.96 0.00 0.00 56.93 54.58 3f3y s PHE 179 Cb 0.43 -1.83 -0.04 0.00 -0.34 0.00 0.00 43.02 41.23 3f3y s PHE 179 CO 0.13 -0.81 0.16 -1.17 -1.46 0.00 0.00 175.22 172.07 3f3y s LEU 180 N 1.27 3.88 -0.33 6.12 2.96 -0.19 -4.74 118.68 127.65 3f3y s LEU 180 Ca -0.01 -0.05 -0.18 0.00 -0.22 0.00 0.00 54.13 53.66 3f3y s LEU 180 Cb -0.16 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.45 3f3y s LEU 180 CO -0.09 -0.04 0.54 -0.22 -1.32 0.00 0.00 176.35 175.21 3f3y s LEU 181 N 1.69 4.27 0.36 -0.68 2.96 -1.26 -1.03 118.68 124.99 3f3y s LEU 181 Ca 0.07 0.11 0.09 0.00 -0.22 0.00 0.00 54.13 54.18 3f3y s LEU 181 Cb -0.16 -2.64 -0.06 0.00 0.50 0.00 0.00 46.19 43.84 3f3y s LEU 181 CO 0.09 -0.46 0.02 -0.76 -1.32 0.00 0.00 176.35 173.91 3f3y s LEU 182 N 2.44 2.94 0.14 -0.68 1.43 0.04 -5.00 118.68 119.99 3f3y s LEU 182 Ca 0.20 -1.10 0.07 0.00 -1.03 0.00 0.00 54.13 52.27 3f3y s LEU 182 Cb -0.15 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 3f3y s LEU 182 CO 0.13 -0.31 -0.15 -0.94 0.23 0.00 0.00 176.35 175.31 3f3y s SER 183 N -3.72 2.21 0.31 2.29 1.04 -1.26 -1.35 113.70 113.21 3f3y s SER 183 Ca 0.35 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.92 3f3y s SER 183 Cb 0.03 -0.09 0.51 0.00 0.10 0.00 0.00 66.02 66.57 3f3y s SER 183 CO 0.19 -0.14 1.92 0.22 0.98 0.00 0.00 173.24 176.41 3f3y h TYR 184 N 3.28 0.83 -0.33 5.02 3.20 -0.41 -2.62 116.97 125.95 3f3y h TYR 184 Ca -0.40 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.40 3f3y h TYR 184 Cb 1.20 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 3f3y h TYR 184 CO 0.67 0.61 0.02 0.93 -1.64 0.00 0.00 178.16 178.75 3f3y h GLU 185 N 0.84 0.57 -0.07 1.82 3.07 -1.95 0.63 114.58 119.49 3f3y h GLU 185 Ca 0.21 -0.17 -0.11 0.00 -0.50 0.00 0.00 59.36 58.79 3f3y h GLU 185 Cb 0.09 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 3f3y h GLU 185 CO -0.03 0.68 -0.47 1.05 -1.40 0.00 0.00 179.01 178.84 3f3y h GLU 186 N 0.39 0.17 -0.59 2.33 4.11 -1.95 0.22 114.58 119.25 3f3y h GLU 186 Ca 0.10 -0.09 -0.08 0.00 0.07 0.00 0.00 59.36 59.36 3f3y h GLU 186 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3f3y h GLU 186 CO 0.01 0.61 0.05 1.25 0.07 0.00 0.00 179.01 181.00 3f3y h LEU 187 N 0.14 0.95 0.01 3.06 5.85 -1.11 -1.12 115.31 123.09 3f3y h LEU 187 Ca 0.01 -0.24 -0.11 0.00 0.84 0.00 0.00 57.88 58.38 3f3y h LEU 187 Cb 0.89 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.67 3f3y h LEU 187 CO 0.07 0.98 -0.43 0.50 -0.34 0.00 0.00 178.44 179.22 3f3y h LYS 188 N 0.92 0.28 0.00 1.25 1.63 -0.38 -2.72 116.57 117.54 3f3y h LYS 188 Ca 0.18 -0.31 -0.18 0.00 -0.85 0.00 0.00 60.65 59.49 3f3y h LYS 188 Cb 0.47 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.17 3f3y h LYS 188 CO 0.02 1.02 -0.87 0.37 -3.45 0.00 0.00 179.45 176.54 3f3y h GLN 189 N -0.34 0.02 -2.39 1.90 4.15 -0.96 -3.38 115.11 114.11 3f3y h GLN 189 Ca -0.06 -0.02 -0.59 0.00 0.77 0.00 0.00 58.65 58.75 3f3y h GLN 189 Cb 1.18 0.01 -0.38 0.00 0.21 0.00 0.00 27.48 28.49 3f3y h GLN 189 CO 0.08 0.87 -0.96 0.34 -1.93 0.00 0.00 178.83 177.23 3f3y s ASP 190 N -6.78 1.58 0.15 -0.69 -1.08 -0.43 -5.01 116.67 104.42 3f3y s ASP 190 Ca -0.00 -2.97 -0.13 0.00 -0.52 0.00 0.00 52.55 48.92 3f3y s ASP 190 Cb 0.11 -0.43 0.03 0.00 -1.46 0.00 0.00 42.92 41.16 3f3y s ASP 190 CO 0.80 -0.19 1.65 0.74 0.52 0.00 0.00 175.17 178.70 3f3y h THR 191 N 4.67 1.24 -0.01 1.71 2.02 -1.65 -0.92 112.91 119.98 3f3y h THR 191 Ca 0.25 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 3f3y h THR 191 Cb 0.92 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 68.18 3f3y h THR 191 CO 0.36 0.31 0.00 1.23 0.37 0.00 0.00 175.52 177.79 3f3y h GLY 192 N 0.68 0.01 0.61 2.16 0.00 -1.94 -0.93 103.07 103.66 3f3y h GLY 192 Ca 0.15 -0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.51 3f3y h GLY 192 CO 0.00 0.01 -0.12 0.07 0.00 0.00 0.00 176.54 176.50 3f3y h ARG 193 N -0.10 -0.17 -1.00 4.80 0.11 -1.94 -0.86 114.38 115.22 3f3y h ARG 193 Ca 0.00 0.01 0.13 0.00 0.10 0.00 0.00 59.98 60.22 3f3y h ARG 193 Cb 0.11 0.04 -0.09 0.00 1.11 0.00 0.00 29.97 31.15 3f3y h ARG 193 CO -0.00 -0.11 0.63 1.15 0.10 0.00 0.00 179.97 181.73 3f3y h THR 194 N -0.18 0.89 -0.25 0.08 2.02 -1.09 0.90 112.91 115.29 3f3y h THR 194 Ca 0.07 -0.33 -0.13 0.00 0.77 0.00 0.00 66.41 66.79 3f3y h THR 194 Cb 0.27 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 3f3y h THR 194 CO -0.17 0.17 -0.39 0.40 0.37 0.00 0.00 175.52 175.90 3f3y h ILE 195 N 0.95 1.30 -0.69 3.11 2.04 -0.78 -1.56 117.51 121.89 3f3y h ILE 195 Ca 0.50 -1.55 -0.05 0.00 1.00 0.00 0.00 64.86 64.76 3f3y h ILE 195 Cb 0.54 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 3f3y h ILE 195 CO -0.27 0.49 0.22 -0.33 0.00 0.00 0.00 178.15 178.25 3f3y h GLU 196 N 0.47 1.06 -0.43 2.37 5.08 0.13 -1.13 114.58 122.12 3f3y h GLU 196 Ca 0.04 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3f3y h GLU 196 Cb 0.89 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 3f3y h GLU 196 CO 0.08 0.90 0.25 -0.22 -1.00 0.00 0.00 179.01 179.02 3f3y h LYS 197 N 1.02 0.60 -0.49 2.33 3.64 -0.42 -1.14 116.57 122.11 3f3y h LYS 197 Ca 0.22 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3f3y h LYS 197 Cb 0.29 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3f3y h LYS 197 CO -0.01 0.46 0.07 0.82 -2.27 0.00 0.00 179.45 178.52 3f3y h ILE 198 N 0.57 1.25 -0.10 2.00 2.04 -1.18 0.11 117.51 122.20 3f3y h ILE 198 Ca 0.15 -0.93 0.04 0.00 1.00 0.00 0.00 64.86 65.12 3f3y h ILE 198 Cb 0.02 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 3f3y h ILE 198 CO -0.03 0.33 -0.20 0.00 0.00 0.00 0.00 178.15 178.26 3f3y h GLN 200 N -0.26 -0.54 -1.00 0.00 4.20 -0.98 0.19 115.11 116.71 3f3y h GLN 200 Ca 0.09 0.04 0.25 0.00 0.06 0.00 0.00 58.65 59.09 3f3y h GLN 200 Cb 0.39 0.12 -0.13 0.00 0.30 0.00 0.00 27.48 28.17 3f3y h GLN 200 CO -0.26 -0.36 0.59 0.35 -0.67 0.00 0.00 178.83 178.49 3f3y h PHE 201 N -0.56 1.01 -0.02 2.96 3.57 -0.49 -0.67 116.94 122.75 3f3y h PHE 201 Ca 0.04 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3f3y h PHE 201 Cb 0.61 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.06 3f3y h PHE 201 CO -0.34 0.05 -0.21 1.28 -2.23 0.00 0.00 178.31 176.86 3f3y n LEU 202 N -4.90 1.73 -1.61 0.59 4.77 0.20 -4.93 117.00 112.85 3f3y n LEU 202 Ca 0.27 -0.57 -0.09 0.00 -0.03 0.00 0.00 56.01 55.60 3f3y n LEU 202 Cb 0.76 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.84 3f3y n LEU 202 CO 0.16 0.31 0.08 0.61 -1.33 0.00 0.00 177.39 177.21 3f3y n GLY 203 N 1.32 0.37 3.33 -0.72 0.00 -0.01 -5.04 105.19 104.45 3f3y n GLY 203 Ca 0.13 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 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 -5.42 1.71 -0.03 1.61 1.02 0.48 -5.03 119.74 114.08 3f3y s LYS 204 Ca 0.21 -1.10 0.03 0.00 0.02 0.00 0.00 55.97 55.12 3f3y s LYS 204 Cb -0.09 -1.90 -0.03 0.00 -0.52 0.00 0.00 37.83 35.29 3f3y s LYS 204 CO 0.25 0.49 -0.09 0.99 -0.92 0.00 0.00 175.35 176.07 3f3y s THR 205 N -0.82 3.48 -0.06 2.17 2.01 -1.26 -4.21 115.64 116.95 3f3y s THR 205 Ca 0.11 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.45 3f3y s THR 205 Cb -0.10 -2.45 0.01 0.00 0.01 0.00 0.00 72.50 69.97 3f3y s THR 205 CO 0.02 0.50 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.55 3f3y s LEU 206 N -1.06 1.78 0.57 4.42 1.43 -1.26 -5.11 118.68 119.45 3f3y s LEU 206 Ca 0.14 -0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 52.70 3f3y s LEU 206 Cb -0.11 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 3f3y s LEU 206 CO 0.04 0.09 1.29 -1.83 0.23 0.00 0.00 176.35 176.16 3f3y s GLU 207 N 0.40 3.05 0.55 1.70 4.04 -1.26 -4.82 118.70 122.36 3f3y s GLU 207 Ca -0.11 2.06 0.26 0.00 0.04 0.00 0.00 54.97 57.22 3f3y s GLU 207 Cb -0.14 -2.12 1.44 0.00 0.02 0.00 0.00 34.13 33.34 3f3y s GLU 207 CO 0.04 -1.21 2.01 -1.00 -1.84 0.00 0.00 175.26 173.26 3f3y h PRO 208 N 1.21 0.00 -0.78 -4.83 0.13 -2.00 0.17 132.00 125.89 3f3y h PRO 208 Ca -0.51 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 3f3y h PRO 208 Cb 1.30 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 3f3y h PRO 208 CO 0.56 0.00 0.45 0.93 -0.23 0.00 0.00 178.00 179.71 3f3y h GLU 209 N 0.00 1.07 -0.22 0.86 3.07 -2.00 -2.46 114.58 114.89 3f3y h GLU 209 Ca 0.21 -0.11 -0.12 0.00 -0.50 0.00 0.00 59.36 58.84 3f3y h GLU 209 Cb 0.89 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 28.58 3f3y h GLU 209 CO -0.00 0.77 -0.31 0.93 -1.40 0.00 0.00 179.01 179.00 3f3y h GLU 210 N 1.09 0.61 -0.46 2.33 5.08 -0.97 -2.99 114.58 119.27 3f3y h GLU 210 Ca 0.28 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3f3y h GLU 210 Cb -0.01 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3f3y h GLU 210 CO -0.05 0.96 0.26 1.25 -1.00 0.00 0.00 179.01 180.43 3f3y h LEU 211 N 0.30 0.56 -0.87 1.33 5.85 -1.40 -2.27 115.31 118.81 3f3y h LEU 211 Ca 0.02 -0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.76 3f3y h LEU 211 Cb 0.89 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 3f3y h LEU 211 CO 0.07 0.47 0.52 0.78 -0.34 0.00 0.00 178.44 179.94 3f3y h ASN 212 N 0.60 0.76 0.44 1.25 2.35 -1.44 0.12 115.58 119.67 3f3y h ASN 212 Ca 0.16 0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.87 3f3y h ASN 212 Cb 0.03 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3f3y h ASN 212 CO -0.03 0.44 -0.40 -0.07 -1.65 0.00 0.00 177.43 175.73 3f3y h LEU 213 N 0.88 0.00 -0.10 1.61 3.38 -1.34 -1.01 115.31 118.73 3f3y h LEU 213 Ca 0.41 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.17 3f3y h LEU 213 Cb 0.34 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.10 3f3y h LEU 213 CO -0.23 0.40 -0.78 0.40 0.09 0.00 0.00 178.44 178.32 3f3y h ILE 214 N 0.00 1.30 -0.63 1.22 2.04 -0.60 -1.98 117.51 118.87 3f3y h ILE 214 Ca -0.00 -2.02 -0.07 0.00 1.00 0.00 0.00 64.86 63.77 3f3y h ILE 214 Cb 0.73 2.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 3f3y h ILE 214 CO 0.05 0.63 0.11 -0.07 0.00 0.00 0.00 178.15 178.87 3f3y h LEU 215 N 0.38 0.99 -0.05 1.44 3.38 -0.67 0.55 115.31 121.33 3f3y h LEU 215 Ca -0.07 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 3f3y h LEU 215 Cb 1.42 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 3f3y h LEU 215 CO 0.16 1.00 0.02 0.50 0.09 0.00 0.00 178.44 180.20 3f3y h LYS 216 N 0.95 0.07 0.00 1.13 3.64 -1.19 -3.24 116.57 117.93 3f3y h LYS 216 Ca 0.19 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3f3y h LYS 216 Cb 0.42 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3f3y h LYS 216 CO 0.01 0.24 -0.40 -0.91 -2.27 0.00 0.00 179.45 176.12 3f3y h ASN 217 N -0.11 0.00 0.12 4.20 2.35 -1.33 -3.14 115.58 117.67 3f3y h ASN 217 Ca 0.02 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3f3y h ASN 217 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3f3y h ASN 217 CO -0.00 0.00 -0.03 -1.54 -1.65 0.00 0.00 177.43 174.22 3f3y n SER 218 N -2.88 0.48 -4.75 5.81 3.41 0.18 -4.44 113.62 111.43 3f3y n SER 218 Ca 0.03 -0.97 -0.32 0.00 -0.26 0.00 0.00 58.87 57.34 3f3y n SER 218 Cb 0.53 -0.03 0.08 0.00 -0.26 0.00 0.00 64.21 64.53 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 -2.15 4.55 0.21 4.04 1.04 -1.19 -4.76 113.70 115.45 3f3y s SER 219 Ca 0.40 2.03 -0.09 0.00 0.48 0.00 0.00 55.95 58.77 3f3y s SER 219 Cb 0.21 -2.55 0.29 0.00 0.10 0.00 0.00 66.02 64.07 3f3y s SER 219 CO 0.39 -2.01 1.76 0.15 0.98 0.00 0.00 173.24 174.52 3f3y h PHE 220 N -0.56 0.51 0.19 5.02 3.57 -1.93 0.23 116.94 123.97 3f3y h PHE 220 Ca -0.46 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.06 3f3y h PHE 220 Cb 1.25 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.86 3f3y h PHE 220 CO 0.54 0.17 -0.09 0.37 -2.23 0.00 0.00 178.31 177.07 3f3y h GLN 221 N 0.51 -0.25 -0.31 1.11 5.75 -1.94 0.18 115.11 120.16 3f3y h GLN 221 Ca 0.32 0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.86 3f3y h GLN 221 Cb 0.35 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.93 3f3y h GLN 221 CO -0.28 -0.05 0.14 0.77 -2.65 0.00 0.00 178.83 176.76 3f3y h SER 222 N -0.41 0.19 -0.62 -0.69 0.02 -1.70 0.10 113.55 110.44 3f3y h SER 222 Ca -0.03 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 60.98 3f3y h SER 222 Cb 0.32 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 3f3y h SER 222 CO 0.04 0.15 0.37 0.24 -1.14 0.00 0.00 176.83 176.49 3f3y h MET 223 N 0.29 0.69 -0.75 3.45 2.86 -0.94 0.15 114.93 120.69 3f3y h MET 223 Ca 0.13 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 3f3y h MET 223 Cb 0.07 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.53 3f3y h MET 223 CO -0.11 0.46 0.40 -0.22 1.06 0.00 0.00 176.91 178.51 3f3y h LYS 224 N 0.71 1.04 0.00 1.72 3.64 0.25 -2.04 116.57 121.89 3f3y h LYS 224 Ca 0.26 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3f3y h LYS 224 Cb 0.07 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3f3y h LYS 224 CO -0.13 0.77 -0.21 0.93 -2.27 0.00 0.00 179.45 178.54 3f3y h GLU 225 N 1.05 0.00 -6.38 1.90 4.39 -0.32 -3.44 114.58 111.77 3f3y h GLU 225 Ca 0.26 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.42 3f3y h GLU 225 Cb 0.04 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.62 3f3y h GLU 225 CO -0.04 0.00 1.09 1.21 -1.16 0.00 0.00 179.01 180.10 3f3y s ASN 226 N -4.77 6.12 0.56 1.42 3.84 0.49 -4.91 114.94 117.70 3f3y s ASN 226 Ca 0.08 -0.03 0.29 0.00 0.21 0.00 0.00 52.86 53.42 3f3y s ASN 226 Cb 0.11 -2.55 1.46 0.00 -0.55 0.00 0.00 41.25 39.72 3f3y s ASN 226 CO 0.65 -1.78 1.91 0.07 -2.79 0.00 0.00 177.10 175.16 3f3y h LYS 227 N 10.74 0.00 0.00 0.43 2.10 -1.85 0.42 116.57 128.41 3f3y h LYS 227 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 3f3y h LYS 227 Cb 1.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 3f3y h LYS 227 CO 1.22 0.00 0.00 0.52 -2.00 0.00 0.00 179.45 179.19 3f3y h MET 228 N 0.00 0.00 0.00 0.07 2.86 -1.86 -3.36 114.93 112.63 3f3y h MET 228 Ca 0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 3f3y h MET 228 Cb 1.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.06 3f3y h MET 228 CO -0.00 0.00 0.00 0.43 1.06 0.00 0.00 176.91 178.40 3f3y n SER 229 N -2.67 0.13 -0.86 1.22 7.64 0.14 -0.75 113.62 118.47 3f3y n SER 229 Ca 0.03 -0.56 0.09 0.00 1.01 0.00 0.00 58.87 59.44 3f3y n SER 229 Cb 0.35 0.86 0.14 0.00 -1.01 0.00 0.00 64.21 64.56 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 -0.86 2.89 0.00 6.43 0.23 -0.59 -4.87 115.26 118.49 3f3y n ASN 230 Ca 0.00 -1.85 0.00 0.00 -0.53 0.00 0.00 54.58 52.20 3f3y n ASN 230 Cb 0.00 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 37.57 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 1.10 0.00 0.27 -2.53 4.02 -1.26 -4.24 117.16 114.52 3f3y n TYR 231 Ca 0.14 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 58.10 3f3y n TYR 231 Cb 0.49 -0.40 0.34 0.00 -0.02 0.00 0.00 39.34 39.76 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 -0.12 0.30 -0.41 7.72 3.41 -1.26 -2.11 113.62 121.16 3f3y n SER 232 Ca 0.00 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.35 3f3y n SER 232 Cb 0.06 -0.66 0.44 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.87 1.38 -4.73 1.04 4.77 -1.26 -4.87 117.00 111.47 3f3y n LEU 233 Ca 0.01 -0.43 -0.42 0.00 -0.03 0.00 0.00 56.01 55.14 3f3y n LEU 233 Cb 0.11 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 3f3y n LEU 233 CO 0.11 0.24 1.07 -0.76 -1.33 0.00 0.00 177.39 176.72 3f3y s LEU 234 N -2.21 4.39 0.83 2.23 1.02 -0.90 -5.02 118.68 119.01 3f3y s LEU 234 Ca 0.32 2.46 -0.11 0.00 0.02 0.00 0.00 54.13 56.81 3f3y s LEU 234 Cb 0.20 -3.60 0.09 0.00 0.02 0.00 0.00 46.19 42.90 3f3y s LEU 234 CO 0.41 -0.65 1.09 -0.94 0.02 0.00 0.00 176.35 176.29 3f3y s SER 235 N 0.71 4.12 0.54 2.29 1.04 -1.26 -4.87 113.70 116.28 3f3y s SER 235 Ca 0.62 1.51 0.36 0.00 0.48 0.00 0.00 55.95 58.92 3f3y s SER 235 Cb -0.39 -2.22 1.93 0.00 0.10 0.00 0.00 66.02 65.44 3f3y s SER 235 CO 0.36 -2.23 2.11 1.62 0.98 0.00 0.00 173.24 176.07 3f3y h VAL 236 N -1.27 0.00 -0.64 5.02 3.04 -1.95 -2.09 116.25 118.37 3f3y h VAL 236 Ca -0.47 -0.05 0.14 0.00 -1.01 0.00 0.00 66.70 65.31 3f3y h VAL 236 Cb 1.26 0.89 -0.04 0.00 -2.01 0.00 0.00 31.29 31.40 3f3y h VAL 236 CO 0.56 0.00 0.44 0.44 -1.01 0.00 0.00 177.57 177.99 3f3y h ASP 237 N 0.00 0.24 0.00 3.17 5.19 -2.03 -3.27 116.42 119.73 3f3y h ASP 237 Ca 0.00 0.01 -0.25 0.00 -0.62 0.00 0.00 57.03 56.17 3f3y h ASP 237 Cb 0.06 -0.04 -0.05 0.00 0.18 0.00 0.00 39.33 39.48 3f3y h ASP 237 CO 0.00 0.13 -1.95 -1.22 -3.12 0.00 0.00 179.24 173.08 3f3y n TYR 238 N -4.44 0.00 -4.26 4.55 4.02 -0.80 -4.84 117.16 111.39 3f3y n TYR 238 Ca 0.12 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.83 3f3y n TYR 238 Cb 0.52 -0.66 -0.11 0.00 -0.02 0.00 0.00 39.34 39.07 3f3y n TYR 238 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3f3y s VAL 239 N -2.33 1.37 -0.06 -0.72 -7.23 -1.11 -0.54 120.40 109.78 3f3y s VAL 239 Ca -0.14 -1.82 -0.04 0.00 -1.81 0.00 0.00 61.98 58.16 3f3y s VAL 239 Cb 0.05 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 3f3y s VAL 239 CO 0.48 -0.48 0.14 0.54 -0.31 0.00 0.00 175.10 175.47 3f3y s VAL 240 N -2.39 5.27 0.00 1.32 0.11 0.55 -4.53 120.40 120.73 3f3y s VAL 240 Ca 0.12 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 3f3y s VAL 240 Cb -0.03 -3.37 0.00 0.00 -1.53 0.00 0.00 36.38 31.45 3f3y s VAL 240 CO 0.03 0.47 0.00 0.47 -3.33 0.00 0.00 175.10 172.74 3f3y n ASP 241 N 1.49 0.00 -4.39 3.54 8.00 -1.26 -4.64 116.55 119.28 3f3y n ASP 241 Ca -0.15 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.07 3f3y n ASP 241 Cb 0.54 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.55 3f3y n ASP 241 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3f3y s LYS 242 N 0.00 1.97 0.77 -1.24 -0.14 -1.26 -5.00 119.74 114.84 3f3y s LYS 242 Ca 0.00 -2.20 0.00 0.00 -1.36 0.00 0.00 55.97 52.41 3f3y s LYS 242 Cb 0.00 -0.99 0.00 0.00 -1.68 0.00 0.00 37.83 35.16 3f3y s LYS 242 CO 0.00 -0.37 0.00 0.00 -0.76 0.00 0.00 175.35 174.22 3f3y n ALA 243 N -0.99 0.00 -3.73 5.17 0.00 -1.26 -4.92 120.51 114.78 3f3y n ALA 243 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.00 3f3y n ALA 243 Cb 0.66 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.02 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 2.70 0.06 0.00 -1.52 -1.26 -4.86 119.66 114.77 3f3y s GLN 244 Ca 0.00 -2.82 -0.17 0.00 -1.95 0.00 0.00 55.36 50.42 3f3y s GLN 244 Cb 0.00 -3.73 -0.16 0.00 -0.22 0.00 0.00 33.01 28.90 3f3y s GLN 244 CO 0.00 -1.20 1.27 1.25 -0.25 0.00 0.00 175.29 176.36 3f3y h LEU 245 N 6.55 0.65 -7.76 2.90 5.85 -1.94 -3.38 115.31 118.19 3f3y h LEU 245 Ca 0.04 -0.61 -0.77 0.00 0.84 0.00 0.00 57.88 57.39 3f3y h LEU 245 Cb 0.89 -0.19 -0.24 0.00 0.37 0.00 0.00 40.66 41.49 3f3y h LEU 245 CO 0.75 1.15 0.52 -0.76 -0.34 0.00 0.00 178.44 179.75 3f3y s LEU 246 N -8.66 6.09 -0.08 2.25 1.43 -1.26 -4.85 118.68 113.60 3f3y s LEU 246 Ca -0.13 -2.90 -0.06 0.00 -1.03 0.00 0.00 54.13 50.01 3f3y s LEU 246 Cb 0.06 -2.27 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 3f3y s LEU 246 CO 0.83 -0.60 -0.11 -1.14 0.23 0.00 0.00 176.35 175.56 3f3y n ARG 247 N 4.27 0.24 0.00 1.70 0.63 -1.26 -4.97 116.66 117.27 3f3y n ARG 247 Ca 0.22 0.32 0.00 0.00 -0.92 0.00 0.00 57.85 57.47 3f3y n ARG 247 Cb 0.44 -1.17 0.00 0.00 0.45 0.00 0.00 32.46 32.19 3f3y n ARG 247 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3f3y n LYS 248 N -3.46 0.00 -1.14 -0.14 4.81 -1.26 -5.06 118.16 111.91 3f3y n LYS 248 Ca -0.04 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.35 3f3y n LYS 248 Cb 0.16 -0.59 -0.02 0.00 0.02 0.00 0.00 35.03 34.60 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 2.25 0.72 3.68 3.14 0.00 -1.26 -5.02 105.19 108.71 3f3y n GLY 249 Ca 0.00 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.17 2.88 0.46 1.61 -7.23 -1.26 -5.06 120.40 109.63 3f3y s VAL 250 Ca 0.00 -1.83 0.02 0.00 -1.81 0.00 0.00 61.98 58.36 3f3y s VAL 250 Cb 0.00 -2.89 0.01 0.00 0.56 0.00 0.00 36.38 34.06 3f3y s VAL 250 CO 0.00 -0.20 0.66 -0.94 -0.31 0.00 0.00 175.10 174.31 3f3y s SER 251 N -3.78 5.69 0.00 4.85 1.04 -1.26 -4.62 113.70 115.62 3f3y s SER 251 Ca 0.36 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.88 3f3y s SER 251 Cb -0.02 -1.25 0.00 0.00 0.10 0.00 0.00 66.02 64.86 3f3y s SER 251 CO 0.21 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.25 3f3y n GLY 252 N -2.07 0.91 0.20 7.32 0.00 -1.26 -4.93 105.19 105.36 3f3y n GLY 252 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.19 1.61 -0.00 -1.97 -2.83 116.42 112.04 3f3y h ASP 253 Ca 0.00 0.00 0.35 0.00 -0.00 0.00 0.00 57.03 57.38 3f3y h ASP 253 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 39.33 39.22 3f3y h ASP 253 CO 0.00 0.34 0.77 4.11 -0.00 0.00 0.00 179.24 184.47 3f3y h TRP 254 N 0.00 0.55 0.00 0.28 5.08 -1.91 0.28 115.95 120.23 3f3y h TRP 254 Ca -0.00 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 59.97 3f3y h TRP 254 Cb 0.69 -0.15 -0.00 0.00 -3.00 0.00 0.00 29.16 26.70 3f3y h TRP 254 CO 0.00 -0.07 -0.10 0.87 -1.28 0.00 0.00 178.44 177.86 3f3y h LYS 255 N 0.22 0.00 0.00 0.12 1.57 -1.84 0.12 116.57 116.76 3f3y h LYS 255 Ca 0.70 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.48 3f3y h LYS 255 Cb 2.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.39 3f3y h LYS 255 CO -0.33 0.10 0.00 0.09 -0.57 0.00 0.00 179.45 178.74 3f3y n ASN 256 N -3.39 0.00 0.06 0.86 3.02 0.98 -4.42 115.26 112.37 3f3y n ASN 256 Ca -0.01 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 3f3y n ASN 256 Cb 0.28 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 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 -1.15 -0.69 -1.63 3.10 8.25 -0.13 -5.05 115.22 117.92 3f3y n HIS 257 Ca 0.16 0.12 -0.41 0.00 -0.26 0.00 0.00 57.72 57.33 3f3y n HIS 257 Cb 0.15 0.20 0.02 0.00 1.12 0.00 0.00 29.99 31.48 3f3y n HIS 257 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3f3y n PHE 258 N -3.31 1.37 -2.12 4.41 3.01 0.24 -5.01 117.46 116.06 3f3y n PHE 258 Ca 0.00 0.53 -0.28 0.00 1.01 0.00 0.00 57.45 58.72 3f3y n PHE 258 Cb 0.09 -2.26 0.14 0.00 -0.01 0.00 0.00 39.48 37.44 3f3y n PHE 258 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3f3y s THR 259 N -1.28 2.08 0.28 4.37 -4.23 -1.26 -4.87 115.64 110.74 3f3y s THR 259 Ca 0.64 -0.18 0.05 0.00 -1.18 0.00 0.00 61.69 61.02 3f3y s THR 259 Cb -0.53 -2.90 0.04 0.00 1.34 0.00 0.00 72.50 70.44 3f3y s THR 259 CO 0.56 0.00 1.69 0.58 -0.54 0.00 0.00 174.62 176.91 3f3y h VAL 260 N -1.14 1.30 -0.21 2.29 2.07 -1.98 0.78 116.25 119.37 3f3y h VAL 260 Ca -0.43 -1.47 -0.04 0.00 0.82 0.00 0.00 66.70 65.58 3f3y h VAL 260 Cb 1.27 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 3f3y h VAL 260 CO 0.46 0.45 -0.01 0.00 0.02 0.00 0.00 177.57 178.49 3f3y h ALA 261 N 1.33 0.28 -0.96 1.67 0.00 -1.99 -1.00 119.26 118.59 3f3y h ALA 261 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3f3y h ALA 261 Cb 0.80 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 3f3y h ALA 261 CO 0.06 0.01 0.60 1.96 0.00 0.00 0.00 179.25 181.89 3f3y h GLN 262 N 0.12 1.29 -0.25 0.00 4.20 -1.88 -1.75 115.11 116.85 3f3y h GLN 262 Ca 0.06 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 3f3y h GLN 262 Cb 0.42 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3f3y h GLN 262 CO 0.01 0.88 0.15 0.00 -0.67 0.00 0.00 178.83 179.21 3f3y h ALA 263 N 1.35 0.31 -0.17 3.87 0.00 -0.62 -1.45 119.26 122.54 3f3y h ALA 263 Ca 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3f3y h ALA 263 Cb -0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3f3y h ALA 263 CO -0.07 -0.19 0.11 0.93 0.00 0.00 0.00 179.25 180.03 3f3y h GLU 264 N 0.32 0.22 -0.60 0.00 5.08 -0.86 -0.36 114.58 118.37 3f3y h GLU 264 Ca 0.09 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 3f3y h GLU 264 Cb -0.00 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 3f3y h GLU 264 CO -0.02 0.14 0.33 -0.44 -1.00 0.00 0.00 179.01 178.03 3f3y h ASP 265 N 0.23 0.50 -0.48 1.42 3.32 -1.30 -1.09 116.42 119.02 3f3y h ASP 265 Ca 0.06 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3f3y h ASP 265 Cb -0.02 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3f3y h ASP 265 CO -0.02 0.34 0.23 0.15 -1.72 0.00 0.00 179.24 178.21 3f3y h PHE 266 N 0.63 0.70 0.03 4.55 3.04 -0.81 -1.42 116.94 123.68 3f3y h PHE 266 Ca 0.26 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.18 3f3y h PHE 266 Cb 0.13 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.42 3f3y h PHE 266 CO -0.08 0.56 -0.04 -0.44 -2.02 0.00 0.00 178.31 176.29 3f3y h ASP 267 N 0.64 -0.11 -0.58 0.41 5.19 -0.70 0.94 116.42 122.20 3f3y h ASP 267 Ca 0.16 0.01 0.09 0.00 -0.62 0.00 0.00 57.03 56.68 3f3y h ASP 267 Cb 0.13 0.04 -0.11 0.00 0.18 0.00 0.00 39.33 39.57 3f3y h ASP 267 CO -0.02 -0.06 -0.39 0.50 -3.12 0.00 0.00 179.24 176.15 3f3y h LYS 268 N -0.09 -0.20 -0.18 3.56 1.63 -1.06 0.13 116.57 120.36 3f3y h LYS 268 Ca 0.01 0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.75 3f3y h LYS 268 Cb 0.09 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.76 3f3y h LYS 268 CO -0.02 -0.13 -0.17 1.25 -3.45 0.00 0.00 179.45 176.93 3f3y h LEU 269 N -0.20 0.47 -1.11 5.20 5.85 -0.77 0.10 115.31 124.85 3f3y h LEU 269 Ca 0.20 -0.47 0.13 0.00 0.84 0.00 0.00 57.88 58.58 3f3y h LEU 269 Cb 0.56 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.38 3f3y h LEU 269 CO -0.68 0.84 0.61 0.15 -0.34 0.00 0.00 178.44 179.02 3f3y h PHE 270 N 0.10 1.02 -0.22 1.25 3.57 0.11 -0.81 116.94 121.97 3f3y h PHE 270 Ca 0.03 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.36 3f3y h PHE 270 Cb 0.70 -0.32 0.01 0.00 2.79 0.00 0.00 35.95 39.13 3f3y h PHE 270 CO 0.08 0.39 -0.64 1.96 -2.23 0.00 0.00 178.31 177.86 3f3y h GLN 271 N 0.87 0.82 -0.32 1.11 7.50 -0.31 -1.56 115.11 123.21 3f3y h GLN 271 Ca 0.48 -0.59 -0.13 0.00 0.50 0.00 0.00 58.65 58.91 3f3y h GLN 271 Cb 0.59 0.10 -0.01 0.00 0.05 0.00 0.00 27.48 28.21 3f3y h GLN 271 CO -0.25 1.21 -0.34 1.49 -1.50 0.00 0.00 178.83 179.44 3f3y h GLU 272 N 0.57 0.71 0.00 1.46 4.81 -0.63 -2.94 114.58 118.56 3f3y h GLU 272 Ca -0.02 -0.34 -0.18 0.00 -0.13 0.00 0.00 59.36 58.69 3f3y h GLU 272 Cb 1.26 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 3f3y h GLU 272 CO 0.14 0.95 -1.22 0.87 -0.73 0.00 0.00 179.01 179.02 3f3y h LYS 273 N 0.60 0.00 -0.37 1.92 1.57 -1.14 -3.36 116.57 115.78 3f3y h LYS 273 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3f3y h LYS 273 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 3f3y h LYS 273 CO 0.07 0.47 0.00 -1.33 -0.57 0.00 0.00 179.45 178.09 3f3y n MET 274 N -3.05 2.35 -0.21 3.15 2.81 -0.59 -4.62 117.12 116.96 3f3y n MET 274 Ca -0.07 -2.15 -0.01 0.00 -1.81 0.00 0.00 57.70 53.66 3f3y n MET 274 Cb 0.87 -1.44 0.10 0.00 -0.71 0.00 0.00 33.22 32.04 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 3.79 0.80 0.00 3.04 0.00 -1.67 -1.82 119.26 123.40 3f3y h ALA 275 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3f3y h ALA 275 Cb 0.88 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3f3y h ALA 275 CO 0.00 -0.11 0.00 -0.40 0.00 0.00 0.00 179.25 178.74 3f3y n ASP 276 N -4.92 0.00 -4.37 0.00 3.85 -1.26 -4.65 116.55 105.20 3f3y n ASP 276 Ca 0.08 -0.75 -0.26 0.00 -0.71 0.00 0.00 54.79 53.15 3f3y n ASP 276 Cb 0.23 0.00 -0.12 0.00 -1.35 0.00 0.00 41.12 39.88 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 -1.55 2.37 0.20 -2.12 1.43 -0.68 -5.13 118.68 113.20 3f3y s LEU 277 Ca 0.14 -0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 52.15 3f3y s LEU 277 Cb 0.06 -1.06 -0.08 0.00 0.03 0.00 0.00 46.19 45.14 3f3y s LEU 277 CO 0.10 0.10 1.17 -2.16 0.23 0.00 0.00 176.35 175.79 3f3y s PRO 278 N -2.32 4.53 0.50 1.29 0.04 -1.26 -4.93 135.00 132.84 3f3y s PRO 278 Ca 0.14 1.84 0.16 0.00 0.04 0.00 0.00 61.00 63.18 3f3y s PRO 278 Cb -0.09 -3.24 1.19 0.00 0.04 0.00 0.00 34.50 32.40 3f3y s PRO 278 CO 0.07 -0.02 2.10 -0.09 0.04 0.00 0.00 177.00 179.10 3f3y h ARG 279 N 5.03 0.00 0.00 4.56 9.65 -1.92 -2.15 114.38 129.56 3f3y h ARG 279 Ca -0.45 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 3f3y h ARG 279 Cb 1.21 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 3f3y h ARG 279 CO 0.73 0.06 0.00 0.39 2.80 0.00 0.00 179.97 183.95 3f3y n GLU 280 N -4.47 0.01 0.19 0.20 4.71 -1.26 -1.58 120.64 118.44 3f3y n GLU 280 Ca -0.03 0.41 0.05 0.00 -0.01 0.00 0.00 57.16 57.59 3f3y n GLU 280 Cb 0.14 -1.50 0.33 0.00 -1.01 0.00 0.00 31.44 29.40 3f3y n GLU 280 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 3f3y h LEU 281 N 0.00 0.00 -7.43 -4.62 4.07 -1.78 -3.42 115.31 102.12 3f3y h LEU 281 Ca 0.00 0.00 -0.64 0.00 0.08 0.00 0.00 57.88 57.32 3f3y h LEU 281 Cb 0.05 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 41.39 3f3y h LEU 281 CO 0.00 0.38 -0.68 -0.36 -1.08 0.00 0.00 178.44 176.70 3f3y s PHE 282 N -3.60 3.18 -0.75 1.13 0.08 -0.61 -5.04 117.98 112.38 3f3y s PHE 282 Ca 0.00 -2.97 -0.21 0.00 0.12 0.00 0.00 56.93 53.88 3f3y s PHE 282 Cb 0.11 -2.70 -0.16 0.00 -0.57 0.00 0.00 43.02 39.70 3f3y s PHE 282 CO 0.69 -0.82 1.92 -0.35 -0.10 0.00 0.00 175.22 176.56 3f3y n PRO 283 N 3.63 1.48 -3.54 0.24 -0.04 -1.26 -4.75 135.00 130.77 3f3y n PRO 283 Ca 0.05 -1.77 -0.16 0.00 -0.04 0.00 0.00 63.50 61.58 3f3y n PRO 283 Cb 0.36 -2.85 -0.06 0.00 -0.04 0.00 0.00 33.50 30.91 3f3y n PRO 283 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3f3y s TRP 284 N 4.94 -0.59 0.00 0.54 -2.14 -1.26 -5.01 118.94 115.42 3f3y s TRP 284 Ca 0.56 1.03 0.00 0.00 2.66 0.00 0.00 56.10 60.35 3f3y s TRP 284 Cb 0.14 0.42 0.00 0.00 -3.10 0.00 0.00 33.47 30.93 3f3y s TRP 284 CO 0.11 -0.54 0.36 0.39 -2.66 0.00 0.00 176.95 174.62