#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 1.32 -0.22 2.11 0.08 -1.26 -4.33 117.98 115.68 3f3y s PHE 5 Ca 0.00 -0.75 -0.25 0.00 0.12 0.00 0.00 56.93 56.05 3f3y s PHE 5 Cb 0.00 -0.67 -0.01 0.00 -0.57 0.00 0.00 43.02 41.77 3f3y s PHE 5 CO 0.00 0.10 0.83 -1.17 -0.10 0.00 0.00 175.22 174.88 3f3y s LEU 6 N -3.19 4.11 -0.23 -0.37 2.96 -0.19 -4.88 118.68 116.90 3f3y s LEU 6 Ca 0.18 1.08 -0.10 0.00 -0.22 0.00 0.00 54.13 55.06 3f3y s LEU 6 Cb 0.02 -3.20 -0.05 0.00 0.50 0.00 0.00 46.19 43.47 3f3y s LEU 6 CO 0.02 -0.47 0.15 0.26 -1.32 0.00 0.00 176.35 174.99 3f3y s TRP 7 N 2.58 3.34 -0.05 5.38 0.52 -1.26 0.07 118.94 129.52 3f3y s TRP 7 Ca 0.36 0.26 -0.02 0.00 0.02 0.00 0.00 56.10 56.72 3f3y s TRP 7 Cb -0.16 -2.24 0.04 0.00 -1.15 0.00 0.00 33.47 29.96 3f3y s TRP 7 CO 0.09 0.13 0.11 0.12 0.02 0.00 0.00 176.95 177.42 3f3y s PHE 8 N 0.86 -0.09 -1.57 -1.98 5.36 -0.69 -4.85 117.98 115.02 3f3y s PHE 8 Ca 0.08 0.38 -0.16 0.00 -0.96 0.00 0.00 56.93 56.26 3f3y s PHE 8 Cb -0.13 -0.19 0.14 0.00 -0.34 0.00 0.00 43.02 42.51 3f3y s PHE 8 CO 0.03 -0.16 0.70 0.39 -1.46 0.00 0.00 175.22 174.71 3f3y n GLU 9 N 4.45 -3.13 -1.04 10.12 -0.58 -1.26 -1.25 120.64 127.95 3f3y n GLU 9 Ca -0.22 0.37 -0.01 0.00 -0.42 0.00 0.00 57.16 56.88 3f3y n GLU 9 Cb 0.51 -5.09 -0.01 0.00 -0.57 0.00 0.00 31.44 26.28 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 -1.30 0.50 3.08 0.62 0.00 -1.26 -5.02 105.19 101.82 3f3y n GLY 10 Ca 0.06 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.96 1.31 0.20 -0.61 -1.09 -0.38 -4.94 121.20 113.73 3f3y s ILE 11 Ca 0.00 -0.61 -0.25 0.00 -2.23 0.00 0.00 60.65 57.55 3f3y s ILE 11 Cb 0.00 -1.16 -0.08 0.00 -1.58 0.00 0.00 42.46 39.64 3f3y s ILE 11 CO 0.00 0.39 0.81 0.00 -1.23 0.00 0.00 174.94 174.91 3f3y s ALA 12 N 0.37 3.41 0.11 9.38 0.00 -1.26 -1.70 121.76 132.07 3f3y s ALA 12 Ca -0.10 0.39 0.05 0.00 0.00 0.00 0.00 51.96 52.29 3f3y s ALA 12 Cb -0.14 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 3f3y s ALA 12 CO 0.04 0.28 -0.12 -0.06 0.00 0.00 0.00 175.76 175.89 3f3y s PHE 13 N -1.24 1.24 0.61 0.00 0.40 0.11 -0.05 117.98 119.05 3f3y s PHE 13 Ca 0.38 -0.62 -0.19 0.00 -0.60 0.00 0.00 56.93 55.91 3f3y s PHE 13 Cb -0.22 -0.66 -0.04 0.00 0.51 0.00 0.00 43.02 42.61 3f3y s PHE 13 CO 0.26 0.08 1.11 -2.30 0.70 0.00 0.00 175.22 175.07 3f3y n PRO 14 N 0.47 1.05 0.26 0.24 -0.02 -1.26 -1.02 135.00 134.72 3f3y n PRO 14 Ca -0.15 0.41 0.14 0.00 -2.02 0.00 0.00 63.50 61.87 3f3y n PRO 14 Cb 0.58 -2.32 0.71 0.00 -0.02 0.00 0.00 33.50 32.45 3f3y n PRO 14 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3f3y h THR 15 N 0.61 0.45 -3.62 3.45 2.02 -1.84 -3.38 112.91 110.59 3f3y h THR 15 Ca -0.49 -0.59 -0.68 0.00 0.77 0.00 0.00 66.41 65.41 3f3y h THR 15 Cb 1.35 1.41 -0.31 0.00 -1.74 0.00 0.00 68.15 68.86 3f3y h THR 15 CO 0.52 0.11 -0.86 -0.04 0.37 0.00 0.00 175.52 175.63 3f3y s MET 16 N -4.03 2.89 0.00 6.66 -1.94 -1.26 -4.73 119.30 116.89 3f3y s MET 16 Ca -0.02 -0.85 0.00 0.00 -1.71 0.00 0.00 55.69 53.11 3f3y s MET 16 Cb 0.12 -2.31 0.00 0.00 2.01 0.00 0.00 34.83 34.65 3f3y s MET 16 CO 0.57 0.28 0.00 0.41 -0.01 0.00 0.00 175.02 176.28 3f3y n GLY 17 N 3.25 0.46 3.09 -0.03 0.00 -1.26 -5.05 105.19 105.64 3f3y n GLY 17 Ca -0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 0.95 -0.04 1.61 0.40 -1.26 -1.04 117.98 116.60 3f3y s PHE 18 Ca 0.00 -0.37 -0.03 0.00 -0.60 0.00 0.00 56.93 55.93 3f3y s PHE 18 Cb 0.00 -0.56 0.01 0.00 0.51 0.00 0.00 43.02 42.98 3f3y s PHE 18 CO 0.00 -0.00 0.09 1.03 0.70 0.00 0.00 175.22 177.04 3f3y s ARG 19 N -1.17 0.10 0.20 0.44 0.52 -1.26 -4.99 118.95 112.77 3f3y s ARG 19 Ca -0.02 0.16 -0.12 0.00 -0.52 0.00 0.00 55.73 55.23 3f3y s ARG 19 Cb -0.08 0.01 0.23 0.00 0.52 0.00 0.00 34.95 35.63 3f3y s ARG 19 CO 0.01 -0.04 1.70 0.77 0.02 0.00 0.00 175.30 177.76 3f3y h SER 20 N 6.21 -0.07 -0.64 0.23 0.02 -1.99 -1.44 113.55 115.88 3f3y h SER 20 Ca -0.28 0.11 0.02 0.00 -0.84 0.00 0.00 61.79 60.80 3f3y h SER 20 Cb 1.19 0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.86 3f3y h SER 20 CO 0.45 -0.01 0.41 -0.33 -1.14 0.00 0.00 176.83 176.21 3f3y h GLU 21 N 0.21 0.79 -0.68 3.45 3.07 -2.00 -1.44 114.58 117.98 3f3y h GLU 21 Ca 0.28 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.04 3f3y h GLU 21 Cb 0.40 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 3f3y h GLU 21 CO -0.38 0.52 0.23 1.15 -1.40 0.00 0.00 179.01 179.13 3f3y h THR 22 N 0.82 1.25 -0.21 1.13 2.02 -1.80 -2.74 112.91 113.37 3f3y h THR 22 Ca 0.25 -0.83 -0.12 0.00 0.77 0.00 0.00 66.41 66.48 3f3y h THR 22 Cb -0.03 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3f3y h THR 22 CO -0.08 0.33 -0.38 -0.07 0.37 0.00 0.00 175.52 175.69 3f3y h LEU 23 N 1.00 0.49 -0.12 2.58 3.38 -0.73 0.17 115.31 122.08 3f3y h LEU 23 Ca 0.23 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3f3y h LEU 23 Cb 0.26 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3f3y h LEU 23 CO -0.01 0.83 0.07 -0.09 0.09 0.00 0.00 178.44 179.33 3f3y h ARG 24 N 0.39 0.16 -0.42 1.13 9.65 -1.17 -2.78 114.38 121.34 3f3y h ARG 24 Ca 0.04 -0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 58.84 3f3y h ARG 24 Cb 0.84 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.37 3f3y h ARG 24 CO 0.07 0.15 -0.02 0.87 2.80 0.00 0.00 179.97 183.84 3f3y h LYS 25 N 0.12 0.69 -0.32 0.20 1.57 -1.13 -0.18 116.57 117.53 3f3y h LYS 25 Ca 0.04 -0.18 0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3f3y h LYS 25 Cb 0.03 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.19 3f3y h LYS 25 CO -0.01 0.72 -0.15 0.28 -0.57 0.00 0.00 179.45 179.72 3f3y h VAL 26 N 0.65 0.54 -0.30 0.50 2.07 -0.63 0.69 116.25 119.76 3f3y h VAL 26 Ca 0.13 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 3f3y h VAL 26 Cb 0.43 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3f3y h VAL 26 CO 0.02 0.00 0.08 -0.09 0.02 0.00 0.00 177.57 177.60 3f3y h ARG 27 N -0.10 0.48 0.01 1.57 9.65 -1.20 -3.26 114.38 121.53 3f3y h ARG 27 Ca 0.16 -0.11 -0.37 0.00 -1.10 0.00 0.00 59.98 58.57 3f3y h ARG 27 Cb 0.35 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 28.80 3f3y h ARG 27 CO -0.39 0.54 -2.32 -0.25 2.80 0.00 0.00 179.97 180.36 3f3y n ASP 28 N -4.68 0.93 -0.00 -3.80 8.00 -0.10 -0.07 116.55 116.82 3f3y n ASP 28 Ca -0.02 0.01 -0.00 0.00 0.71 0.00 0.00 54.79 55.49 3f3y n ASP 28 Cb 0.18 0.27 -0.00 0.00 -0.02 0.00 0.00 41.12 41.54 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 -3.01 3.93 -1.81 -1.24 1.02 0.21 -4.89 120.64 114.85 3f3y n GLU 29 Ca -0.36 -0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.37 3f3y n GLU 29 Cb 1.08 -1.01 -0.02 0.00 -0.02 0.00 0.00 31.44 31.47 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 -2.01 2.79 -0.25 -0.32 5.36 0.39 -4.95 117.98 118.99 3f3y s PHE 30 Ca -0.00 0.82 -0.10 0.00 -0.96 0.00 0.00 56.93 56.68 3f3y s PHE 30 Cb 0.00 -4.03 -0.05 0.00 -0.34 0.00 0.00 43.02 38.60 3f3y s PHE 30 CO 0.02 -3.45 0.16 0.08 -1.46 0.00 0.00 175.22 170.56 3f3y s VAL 31 N 0.00 5.27 -0.11 3.12 1.01 -1.26 -4.44 120.40 123.98 3f3y s VAL 31 Ca 0.63 0.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.59 3f3y s VAL 31 Cb -0.47 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 3f3y s VAL 31 CO 0.47 0.32 0.42 -0.63 0.00 0.00 0.00 175.10 175.68 3f3y s ILE 32 N 1.27 5.20 0.14 2.22 -1.09 -1.26 -5.05 121.20 122.62 3f3y s ILE 32 Ca 0.07 0.83 -0.04 0.00 -2.23 0.00 0.00 60.65 59.28 3f3y s ILE 32 Cb -0.14 -3.75 -0.05 0.00 -1.58 0.00 0.00 42.46 36.93 3f3y s ILE 32 CO 0.06 0.38 0.36 -0.13 -1.23 0.00 0.00 174.94 174.38 3f3y s ARG 33 N 0.34 3.60 0.15 2.79 0.52 -1.26 -4.87 118.95 120.23 3f3y s ARG 33 Ca 0.23 -0.13 0.11 0.00 -0.52 0.00 0.00 55.73 55.43 3f3y s ARG 33 Cb -0.15 -2.87 0.60 0.00 0.52 0.00 0.00 34.95 33.05 3f3y s ARG 33 CO 0.09 0.48 1.35 -0.25 0.02 0.00 0.00 175.30 176.99 3f3y n ASP 34 N 0.09 0.28 -0.72 0.23 8.00 -1.26 -2.23 116.55 120.93 3f3y n ASP 34 Ca -0.03 0.62 0.13 0.00 0.71 0.00 0.00 54.79 56.23 3f3y n ASP 34 Cb 0.52 -0.66 0.31 0.00 -0.02 0.00 0.00 41.12 41.27 3f3y n ASP 34 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3f3y n GLU 35 N -1.87 2.00 -2.38 -1.24 4.71 -1.26 -3.82 120.64 116.78 3f3y n GLU 35 Ca -0.00 -1.46 -0.39 0.00 -0.01 0.00 0.00 57.16 55.30 3f3y n GLU 35 Cb 0.03 -1.47 -0.03 0.00 -1.01 0.00 0.00 31.44 28.96 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 -1.97 6.81 -0.18 1.62 -0.00 -0.95 -4.26 116.67 117.75 3f3y s ASP 36 Ca 0.33 2.30 0.01 0.00 -0.00 0.00 0.00 52.55 55.19 3f3y s ASP 36 Cb 0.20 -2.62 0.01 0.00 -0.00 0.00 0.00 42.92 40.52 3f3y s ASP 36 CO 0.32 -0.47 -0.19 -0.69 -0.00 0.00 0.00 175.17 174.14 3f3y s VAL 37 N -1.35 2.21 -0.07 -1.27 1.01 -0.70 -2.11 120.40 118.12 3f3y s VAL 37 Ca 0.53 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3f3y s VAL 37 Cb -0.30 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.15 3f3y s VAL 37 CO 0.39 0.53 -0.18 -0.63 0.00 0.00 0.00 175.10 175.21 3f3y s ILE 38 N 1.21 1.54 -0.25 2.22 1.01 -0.31 -1.93 121.20 124.69 3f3y s ILE 38 Ca 0.03 -0.73 -0.14 0.00 0.00 0.00 0.00 60.65 59.81 3f3y s ILE 38 Cb -0.14 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 3f3y s ILE 38 CO -0.10 0.44 0.31 -0.63 0.00 0.00 0.00 174.94 174.97 3f3y s ILE 39 N 0.39 5.23 -0.25 2.92 1.01 -0.29 0.12 121.20 130.33 3f3y s ILE 39 Ca -0.13 0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.94 3f3y s ILE 39 Cb -0.16 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 3f3y s ILE 39 CO 0.05 0.23 0.02 -0.76 0.00 0.00 0.00 174.94 174.48 3f3y s LEU 40 N 1.65 3.32 0.05 2.97 1.43 0.61 0.00 118.68 128.71 3f3y s LEU 40 Ca 0.13 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 3f3y s LEU 40 Cb -0.15 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 3f3y s LEU 40 CO 0.09 -0.08 -0.06 0.42 0.23 0.00 0.00 176.35 176.95 3f3y s THR 41 N 1.52 0.45 0.14 5.49 -4.23 -0.73 -1.61 115.64 116.66 3f3y s THR 41 Ca 0.05 -1.25 -0.30 0.00 -1.18 0.00 0.00 61.69 59.00 3f3y s THR 41 Cb -0.15 -0.80 -0.06 0.00 1.34 0.00 0.00 72.50 72.82 3f3y s THR 41 CO 0.00 -0.54 0.95 -0.47 -0.54 0.00 0.00 174.62 174.02 3f3y s TYR 42 N -2.00 3.85 0.16 3.99 5.04 -1.26 -3.87 117.35 123.25 3f3y s TYR 42 Ca -0.06 1.82 -0.34 0.00 -2.44 0.00 0.00 57.07 56.05 3f3y s TYR 42 Cb -0.06 -3.03 -0.14 0.00 0.35 0.00 0.00 41.96 39.08 3f3y s TYR 42 CO -0.02 0.26 1.51 -2.30 -1.34 0.00 0.00 175.55 173.67 3f3y n PRO 43 N 2.51 1.94 -0.50 4.97 -0.02 -1.26 -2.20 135.00 140.44 3f3y n PRO 43 Ca 0.01 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3f3y n PRO 43 Cb 0.49 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 3.07 0.00 -0.06 -0.52 4.76 -1.26 -4.91 118.16 119.24 3f3y n LYS 44 Ca 0.17 0.16 0.12 0.00 -2.87 0.00 0.00 58.31 55.88 3f3y n LYS 44 Cb 0.27 -1.82 0.39 0.00 -1.84 0.00 0.00 35.03 32.03 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 0.63 1.90 0.00 4.39 7.64 -0.93 -4.52 113.62 122.73 3f3y n SER 45 Ca 0.00 -1.69 0.00 0.00 1.01 0.00 0.00 58.87 58.19 3f3y n SER 45 Cb 0.00 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 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 1.20 1.16 0.10 0.23 0.00 -1.26 -4.42 105.19 102.20 3f3y n GLY 46 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 1.05 0.00 2.61 2.02 -1.91 -2.41 112.91 114.27 3f3y h THR 47 Ca 0.00 -0.66 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 3f3y h THR 47 Cb 0.00 1.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3f3y h THR 47 CO 0.00 0.16 -0.12 0.78 0.37 0.00 0.00 175.52 176.71 3f3y h ASN 48 N -0.46 0.00 0.02 4.18 4.21 -1.98 0.58 115.58 122.14 3f3y h ASN 48 Ca -0.02 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.46 3f3y h ASN 48 Cb 0.37 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.58 3f3y h ASN 48 CO 0.02 0.12 -0.14 -0.25 -1.29 0.00 0.00 177.43 175.89 3f3y h TRP 49 N 0.00 0.08 -0.54 1.19 7.01 -1.94 -1.84 115.95 119.92 3f3y h TRP 49 Ca -0.00 -0.06 0.11 0.00 2.11 0.00 0.00 58.89 61.04 3f3y h TRP 49 Cb 0.36 -0.00 -0.09 0.00 -2.10 0.00 0.00 29.16 27.33 3f3y h TRP 49 CO 0.00 1.05 -0.00 1.25 -2.79 0.00 0.00 178.44 177.95 3f3y h LEU 50 N -0.90 -0.23 -0.57 0.65 5.85 -1.36 -0.24 115.31 118.51 3f3y h LEU 50 Ca -0.02 0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.89 3f3y h LEU 50 Cb 1.10 0.23 -0.06 0.00 0.37 0.00 0.00 40.66 42.30 3f3y h LEU 50 CO 0.02 -0.08 0.25 0.00 -0.34 0.00 0.00 178.44 178.29 3f3y h ALA 51 N 1.48 0.73 -0.31 1.25 0.00 -0.87 -0.78 119.26 120.76 3f3y h ALA 51 Ca 0.27 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.07 3f3y h ALA 51 Cb 0.42 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3f3y h ALA 51 CO -0.45 -0.13 -0.47 1.49 0.00 0.00 0.00 179.25 179.69 3f3y h GLU 52 N 0.47 0.83 -0.45 0.00 4.57 -1.09 -1.55 114.58 117.36 3f3y h GLU 52 Ca 0.27 -0.48 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 3f3y h GLU 52 Cb 0.25 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 3f3y h GLU 52 CO -0.23 1.11 0.29 0.82 -1.18 0.00 0.00 179.01 179.83 3f3y h ILE 53 N 0.66 1.12 -0.17 2.32 2.04 -0.54 -1.55 117.51 121.39 3f3y h ILE 53 Ca 0.04 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 3f3y h ILE 53 Cb 1.05 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3f3y h ILE 53 CO 0.10 0.12 -0.02 -0.07 0.00 0.00 0.00 178.15 178.28 3f3y h LEU 54 N 0.61 0.32 -0.77 1.44 3.38 -0.87 0.28 115.31 119.70 3f3y h LEU 54 Ca 0.17 -0.34 0.18 0.00 0.09 0.00 0.00 57.88 57.97 3f3y h LEU 54 Cb -0.06 -0.09 -0.12 0.00 0.09 0.00 0.00 40.66 40.49 3f3y h LEU 54 CO -0.03 0.59 0.17 0.00 0.09 0.00 0.00 178.44 179.25 3f3y h LEU 56 N 0.24 0.19 -1.18 0.00 3.38 -0.20 -2.45 115.31 115.29 3f3y h LEU 56 Ca 0.44 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.25 3f3y h LEU 56 Cb 0.79 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3f3y h LEU 56 CO -0.56 0.63 -0.30 0.24 0.09 0.00 0.00 178.44 178.54 3f3y h MET 57 N 0.15 0.19 -0.21 1.13 2.86 0.33 -0.79 114.93 118.58 3f3y h MET 57 Ca 0.01 -0.07 -0.21 0.00 -2.06 0.00 0.00 59.70 57.38 3f3y h MET 57 Cb 0.87 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.53 3f3y h MET 57 CO 0.07 0.48 -0.68 1.25 1.06 0.00 0.00 176.91 179.09 3f3y h HIS 58 N 0.17 1.05 -0.46 -0.22 -0.00 -1.06 -2.94 115.15 111.68 3f3y h HIS 58 Ca 0.02 -0.43 0.00 0.00 -0.00 0.00 0.00 60.37 59.97 3f3y h HIS 58 Cb 0.62 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.85 3f3y h HIS 58 CO 0.01 1.25 0.00 -1.13 -0.00 0.00 0.00 177.93 178.06 3f3y n SER 59 N -3.96 3.11 -3.11 3.26 3.41 -0.95 -4.95 113.62 110.43 3f3y n SER 59 Ca -0.06 -2.19 -0.21 0.00 -0.26 0.00 0.00 58.87 56.16 3f3y n SER 59 Cb 0.69 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 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 -3.40 0.00 4.33 5.02 -0.77 -1.84 118.16 122.29 3f3y n LYS 60 Ca 0.17 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 3f3y n LYS 60 Cb 0.56 -5.28 0.00 0.00 -0.02 0.00 0.00 35.03 30.29 3f3y n LYS 60 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f3y n GLY 61 N -1.15 0.31 3.63 0.72 0.00 -0.37 -4.60 105.19 103.73 3f3y n GLY 61 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.05 6.86 0.00 1.61 -1.08 -0.77 -4.58 116.67 116.66 3f3y s ASP 62 Ca 0.00 0.98 0.22 0.00 -0.52 0.00 0.00 52.55 53.24 3f3y s ASP 62 Cb 0.00 -2.54 1.33 0.00 -1.46 0.00 0.00 42.92 40.25 3f3y s ASP 62 CO 0.00 -0.96 1.84 0.00 0.52 0.00 0.00 175.17 176.57 3f3y n ALA 63 N 7.10 2.60 -0.22 3.66 0.00 -1.26 -4.30 120.51 128.09 3f3y n ALA 63 Ca 0.12 -0.14 0.02 0.00 0.00 0.00 0.00 53.44 53.45 3f3y n ALA 63 Cb 0.47 -1.36 0.12 0.00 0.00 0.00 0.00 19.45 18.68 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 0.15 0.01 0.00 3.64 -1.97 -2.46 116.57 115.95 3f3y h LYS 64 Ca 0.00 -0.01 -0.26 0.00 -1.27 0.00 0.00 60.65 59.11 3f3y h LYS 64 Cb 0.00 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 3f3y h LYS 64 CO 0.00 0.10 -1.40 -1.49 -2.27 0.00 0.00 179.45 174.39 3f3y h TRP 65 N 0.15 0.05 0.00 1.91 6.55 -1.99 -3.07 115.95 119.56 3f3y h TRP 65 Ca 0.35 -0.04 0.00 0.00 0.95 0.00 0.00 58.89 60.16 3f3y h TRP 65 Cb 0.58 -0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.88 3f3y h TRP 65 CO -0.34 1.05 0.00 -0.84 -1.05 0.00 0.00 178.44 177.25 3f3y h ILE 66 N 0.01 0.00 -0.01 1.49 3.07 -1.80 -0.36 117.51 119.91 3f3y h ILE 66 Ca -0.17 -0.44 0.00 0.00 1.55 0.00 0.00 64.86 65.81 3f3y h ILE 66 Cb 1.91 1.42 0.00 0.00 -0.27 0.00 0.00 36.82 39.88 3f3y h ILE 66 CO 0.11 0.00 -0.63 0.00 -1.05 0.00 0.00 178.15 176.58 3f3y n GLN 67 N -3.04 0.60 -0.00 0.16 6.02 -0.94 -4.34 117.38 115.84 3f3y n GLN 67 Ca 0.00 -0.47 0.00 0.00 -0.01 0.00 0.00 57.00 56.53 3f3y n GLN 67 Cb 0.27 -1.49 -0.01 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 -0.79 2.32 -4.13 1.08 3.41 -1.08 -4.73 113.62 109.70 3f3y n SER 68 Ca 0.07 -0.27 -0.30 0.00 -0.26 0.00 0.00 58.87 58.11 3f3y n SER 68 Cb 0.39 1.02 -0.17 0.00 -0.26 0.00 0.00 64.21 65.19 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 -1.54 1.74 0.20 -3.33 1.01 -0.17 -5.08 120.40 113.23 3f3y s VAL 69 Ca 0.00 -0.81 -0.32 0.00 0.00 0.00 0.00 61.98 60.85 3f3y s VAL 69 Cb 0.01 -1.55 -0.15 0.00 0.00 0.00 0.00 36.38 34.68 3f3y s VAL 69 CO 0.03 0.49 1.17 -2.65 0.00 0.00 0.00 175.10 174.14 3f3y n PRO 70 N 3.92 1.29 0.22 2.72 -0.02 -1.26 -4.69 135.00 137.18 3f3y n PRO 70 Ca -0.20 0.46 0.06 0.00 -2.02 0.00 0.00 63.50 61.81 3f3y n PRO 70 Cb 0.52 -1.96 0.56 0.00 -0.02 0.00 0.00 33.50 32.60 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 2.61 1.06 0.00 4.25 2.10 -1.69 -0.71 117.51 125.13 3f3y h ILE 71 Ca -0.43 -0.27 0.00 0.00 1.08 0.00 0.00 64.86 65.24 3f3y h ILE 71 Cb 1.33 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 38.15 3f3y h ILE 71 CO 0.69 0.08 0.00 -2.67 -1.08 0.00 0.00 178.15 175.18 3f3y n TRP 72 N -4.45 0.02 -0.06 2.19 2.14 -1.26 -1.47 117.44 114.55 3f3y n TRP 72 Ca -0.02 0.01 -0.09 0.00 2.07 0.00 0.00 57.50 59.47 3f3y n TRP 72 Cb 0.15 -0.51 -0.15 0.00 -0.81 0.00 0.00 31.31 29.99 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 -1.52 0.66 0.18 -2.67 1.02 -0.31 -2.81 120.64 115.20 3f3y n GLU 73 Ca 0.06 0.12 0.06 0.00 -0.02 0.00 0.00 57.16 57.37 3f3y n GLU 73 Cb 0.29 -1.64 0.30 0.00 -0.02 0.00 0.00 31.44 30.38 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 0.00 -1.60 3.49 3.08 -1.32 -3.39 114.38 114.65 3f3y h ARG 74 Ca -0.43 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.24 3f3y h ARG 74 Cb 2.13 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 31.91 3f3y h ARG 74 CO 0.05 0.38 -0.76 0.45 -1.07 0.00 0.00 179.97 179.02 3f3y n SER 75 N -3.47 -1.81 -4.74 7.04 2.88 -0.54 -4.62 113.62 108.36 3f3y n SER 75 Ca 0.00 -2.69 -0.32 0.00 -1.33 0.00 0.00 58.87 54.53 3f3y n SER 75 Cb 0.54 0.55 0.10 0.00 -0.75 0.00 0.00 64.21 64.64 3f3y n SER 75 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3f3y s PRO 76 N 0.32 2.07 -0.33 -1.46 0.02 -1.12 -4.16 135.00 130.34 3f3y s PRO 76 Ca 0.32 1.44 -0.25 0.00 0.02 0.00 0.00 61.00 62.53 3f3y s PRO 76 Cb 0.05 -1.86 0.01 0.00 0.02 0.00 0.00 34.50 32.72 3f3y s PRO 76 CO -0.14 -1.82 0.85 -1.58 -0.33 0.00 0.00 177.00 173.98 3f3y s TRP 77 N -2.51 3.16 0.31 6.54 0.51 -1.26 0.01 118.94 125.69 3f3y s TRP 77 Ca 0.67 0.82 -0.00 0.00 -2.12 0.00 0.00 56.10 55.46 3f3y s TRP 77 Cb -0.22 -3.38 0.48 0.00 -0.81 0.00 0.00 33.47 29.54 3f3y s TRP 77 CO 0.51 -0.66 1.91 -0.24 -0.51 0.00 0.00 176.95 177.95 3f3y h VAL 78 N 5.68 1.20 0.00 4.03 3.04 -1.74 -1.83 116.25 126.63 3f3y h VAL 78 Ca -0.24 -0.57 -0.01 0.00 -1.01 0.00 0.00 66.70 64.87 3f3y h VAL 78 Cb 1.09 0.41 -0.00 0.00 -2.01 0.00 0.00 31.29 30.78 3f3y h VAL 78 CO 0.92 0.24 -0.06 1.05 -1.01 0.00 0.00 177.57 178.71 3f3y h GLU 79 N 0.87 0.00 -7.20 4.17 9.09 -1.92 -3.12 114.58 116.47 3f3y h GLU 79 Ca 0.22 0.00 -0.49 0.00 0.05 0.00 0.00 59.36 59.13 3f3y h GLU 79 Cb 0.10 0.00 0.07 0.00 -1.65 0.00 0.00 28.75 27.26 3f3y h GLU 79 CO -0.03 0.06 0.38 -1.54 0.05 0.00 0.00 179.01 177.93 3f3y s SER 80 N -5.89 5.74 0.15 3.06 1.04 -0.69 -4.72 113.70 112.39 3f3y s SER 80 Ca 0.02 1.83 -0.17 0.00 0.48 0.00 0.00 55.95 58.10 3f3y s SER 80 Cb 0.09 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.68 3f3y s SER 80 CO 0.58 -1.20 1.79 -0.33 0.98 0.00 0.00 173.24 175.06 3f3y h GLU 81 N 0.41 0.38 -0.63 4.02 5.08 -1.39 0.16 114.58 122.61 3f3y h GLU 81 Ca -0.47 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 57.79 3f3y h GLU 81 Cb 1.22 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 3f3y h GLU 81 CO 0.57 0.25 0.09 0.82 -1.00 0.00 0.00 179.01 179.74 3f3y h ILE 82 N 0.39 1.26 -0.35 3.13 2.04 -1.90 -2.78 117.51 119.31 3f3y h ILE 82 Ca 0.13 -1.04 -0.05 0.00 1.00 0.00 0.00 64.86 64.90 3f3y h ILE 82 Cb 0.01 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3f3y h ILE 82 CO -0.06 0.39 0.02 1.23 0.00 0.00 0.00 178.15 179.73 3f3y h GLY 83 N 0.97 0.65 0.75 5.37 0.00 -1.60 -0.63 103.07 108.58 3f3y h GLY 83 Ca 0.19 -0.46 0.05 0.00 0.00 0.00 0.00 47.33 47.10 3f3y h GLY 83 CO 0.02 0.43 0.34 -1.82 0.00 0.00 0.00 176.54 175.50 3f3y h TYR 84 N 0.43 0.62 -0.01 5.60 3.20 -0.55 -1.65 116.97 124.60 3f3y h TYR 84 Ca 0.10 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 3f3y h TYR 84 Cb 0.41 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.50 3f3y h TYR 84 CO 0.03 0.32 -0.14 1.15 -1.64 0.00 0.00 178.16 177.88 3f3y h THR 85 N 0.64 1.54 -0.61 1.81 2.02 -1.41 -3.25 112.91 113.66 3f3y h THR 85 Ca 0.26 -1.79 0.03 0.00 0.77 0.00 0.00 66.41 65.68 3f3y h THR 85 Cb 0.12 2.68 -0.03 0.00 -1.74 0.00 0.00 68.15 69.18 3f3y h THR 85 CO -0.15 0.48 0.40 0.00 0.37 0.00 0.00 175.52 176.62 3f3y h ALA 86 N 0.29 1.66 -0.27 6.16 0.00 -0.98 -3.18 119.26 122.94 3f3y h ALA 86 Ca -0.01 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 3f3y h ALA 86 Cb 0.86 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3f3y h ALA 86 CO 0.03 0.28 -0.52 -0.07 0.00 0.00 0.00 179.25 178.96 3f3y h LEU 87 N 0.73 0.85 -0.90 0.00 3.38 -1.34 -2.79 115.31 115.24 3f3y h LEU 87 Ca 0.24 -0.44 0.19 0.00 0.09 0.00 0.00 57.88 57.96 3f3y h LEU 87 Cb 0.06 -0.24 -0.11 0.00 0.09 0.00 0.00 40.66 40.46 3f3y h LEU 87 CO -0.06 1.21 0.45 0.28 0.09 0.00 0.00 178.44 180.40 3f3y h SER 88 N 0.60 0.48 1.05 -0.43 0.02 -1.58 -2.48 113.55 111.20 3f3y h SER 88 Ca 0.02 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3f3y h SER 88 Cb 1.11 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.71 3f3y h SER 88 CO 0.11 0.12 -0.12 -0.62 -1.14 0.00 0.00 176.83 175.18 3f3y n GLU 89 N -4.94 0.10 -2.98 3.45 -0.58 -1.11 -4.91 120.64 109.67 3f3y n GLU 89 Ca 0.21 0.07 -0.40 0.00 -0.42 0.00 0.00 57.16 56.61 3f3y n GLU 89 Cb 0.57 -1.60 -0.05 0.00 -0.57 0.00 0.00 31.44 29.79 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 -3.04 4.58 0.60 2.62 2.01 -0.94 -5.06 115.64 116.42 3f3y s THR 90 Ca 0.12 1.67 -0.15 0.00 0.31 0.00 0.00 61.69 63.63 3f3y s THR 90 Cb 0.17 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 3f3y s THR 90 CO 0.59 0.43 1.05 -1.61 -0.69 0.00 0.00 174.62 174.39 3f3y s GLU 91 N -0.49 3.30 0.77 4.92 2.02 -1.26 -4.96 118.70 122.99 3f3y s GLU 91 Ca 0.38 1.15 -0.12 0.00 0.02 0.00 0.00 54.97 56.40 3f3y s GLU 91 Cb -0.22 -2.03 0.06 0.00 0.10 0.00 0.00 34.13 32.04 3f3y s GLU 91 CO 0.24 -0.82 1.12 -1.12 0.02 0.00 0.00 175.26 174.70 3f3y s SER 92 N -2.95 4.35 0.01 -0.19 0.01 -1.26 -4.12 113.70 109.55 3f3y s SER 92 Ca 0.62 1.97 -0.30 0.00 1.31 0.00 0.00 55.95 59.56 3f3y s SER 92 Cb -0.15 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 3f3y s SER 92 CO 0.39 -2.14 1.13 -2.16 0.41 0.00 0.00 173.24 170.87 3f3y s PRO 93 N -4.58 4.45 -0.01 12.44 0.04 -1.26 -5.14 135.00 140.94 3f3y s PRO 93 Ca 0.65 1.63 -0.21 0.00 0.04 0.00 0.00 61.00 63.10 3f3y s PRO 93 Cb -0.20 -3.44 -0.05 0.00 0.04 0.00 0.00 34.50 30.85 3f3y s PRO 93 CO 0.52 -0.25 0.62 1.03 0.04 0.00 0.00 177.00 178.97 3f3y s ARG 94 N 1.36 4.36 -0.11 4.56 0.52 -1.26 -5.01 118.95 123.37 3f3y s ARG 94 Ca 0.56 0.78 -0.01 0.00 -0.52 0.00 0.00 55.73 56.54 3f3y s ARG 94 Cb -0.25 -3.36 -0.03 0.00 0.52 0.00 0.00 34.95 31.83 3f3y s ARG 94 CO 0.27 0.32 -0.07 -1.17 0.02 0.00 0.00 175.30 174.66 3f3y s LEU 95 N -0.03 3.13 0.24 2.53 2.96 -1.26 -1.71 118.68 124.53 3f3y s LEU 95 Ca 0.33 -0.10 -0.19 0.00 -0.22 0.00 0.00 54.13 53.94 3f3y s LEU 95 Cb -0.18 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 44.82 3f3y s LEU 95 CO 0.18 0.27 0.63 0.72 -1.32 0.00 0.00 176.35 176.83 3f3y s PHE 96 N -0.26 -0.13 0.11 5.38 -0.12 -0.82 -4.27 117.98 117.88 3f3y s PHE 96 Ca 0.04 -0.26 0.08 0.00 -0.05 0.00 0.00 56.93 56.73 3f3y s PHE 96 Cb -0.13 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 3f3y s PHE 96 CO 0.03 -1.09 -0.13 -1.12 -0.05 0.00 0.00 175.22 172.86 3f3y s SER 97 N -2.91 4.21 -0.07 1.98 0.01 0.10 -1.14 113.70 115.89 3f3y s SER 97 Ca 0.11 -0.45 -0.08 0.00 1.31 0.00 0.00 55.95 56.84 3f3y s SER 97 Cb -0.04 -0.73 0.02 0.00 0.21 0.00 0.00 66.02 65.48 3f3y s SER 97 CO 0.03 0.18 0.22 -0.55 0.41 0.00 0.00 173.24 173.53 3f3y s SER 98 N -2.19 -0.20 -0.06 2.44 0.15 0.10 -2.19 113.70 111.75 3f3y s SER 98 Ca 0.20 0.35 0.16 0.00 0.70 0.00 0.00 55.95 57.36 3f3y s SER 98 Cb -0.11 0.42 0.51 0.00 -1.71 0.00 0.00 66.02 65.14 3f3y s SER 98 CO 0.12 -0.14 1.43 1.41 1.20 0.00 0.00 173.24 177.27 3f3y n HIS 99 N 2.65 0.91 -2.34 3.44 8.25 -1.25 -1.77 115.22 125.12 3f3y n HIS 99 Ca -0.15 -0.59 -0.41 0.00 -0.26 0.00 0.00 57.72 56.31 3f3y n HIS 99 Cb 0.58 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.52 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 -1.54 4.45 0.71 2.41 1.43 -1.26 -4.79 118.68 120.08 3f3y s LEU 100 Ca 0.38 2.29 -0.13 0.00 -1.03 0.00 0.00 54.13 55.64 3f3y s LEU 100 Cb 0.24 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.87 3f3y s LEU 100 CO 0.20 -0.40 1.11 -2.16 0.23 0.00 0.00 176.35 175.33 3f3y s PRO 101 N -0.37 2.54 0.25 1.29 0.04 -1.26 -4.83 135.00 132.66 3f3y s PRO 101 Ca 0.53 1.33 -0.03 0.00 0.04 0.00 0.00 61.00 62.86 3f3y s PRO 101 Cb -0.34 -1.92 0.45 0.00 0.04 0.00 0.00 34.50 32.73 3f3y s PRO 101 CO 0.38 -1.45 1.77 0.97 0.04 0.00 0.00 177.00 178.71 3f3y h ILE 102 N -0.44 0.77 0.00 0.56 2.10 -1.87 0.20 117.51 118.83 3f3y h ILE 102 Ca -0.46 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.28 3f3y h ILE 102 Cb 1.24 0.11 0.00 0.00 -1.09 0.00 0.00 36.82 37.08 3f3y h ILE 102 CO 0.53 0.11 0.00 0.00 -1.08 0.00 0.00 178.15 177.71 3f3y n GLN 103 N -4.87 0.16 0.00 2.19 0.00 -1.26 -1.44 117.38 112.16 3f3y n GLN 103 Ca 0.15 0.17 0.07 0.00 0.00 0.00 0.00 57.00 57.39 3f3y n GLN 103 Cb 0.37 -1.50 0.03 0.00 0.00 0.00 0.00 30.24 29.14 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 -1.33 1.85 -4.80 2.61 4.77 0.68 -5.02 117.00 115.76 3f3y n LEU 104 Ca 0.06 -0.90 -0.36 0.00 -0.03 0.00 0.00 56.01 54.77 3f3y n LEU 104 Cb 0.13 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 3f3y n LEU 104 CO 0.12 0.35 0.55 0.12 -1.33 0.00 0.00 177.39 177.19 3f3y s PHE 105 N -1.35 3.66 -0.41 -1.77 5.36 -0.52 -4.13 117.98 118.82 3f3y s PHE 105 Ca 0.14 1.61 -0.37 0.00 -0.96 0.00 0.00 56.93 57.35 3f3y s PHE 105 Cb 0.11 -2.79 -0.16 0.00 -0.34 0.00 0.00 43.02 39.84 3f3y s PHE 105 CO 0.24 0.25 1.59 -2.30 -1.46 0.00 0.00 175.22 173.54 3f3y n PRO 106 N 0.59 0.00 -0.15 10.12 -0.02 -1.23 -4.71 135.00 139.61 3f3y n PRO 106 Ca 0.00 0.00 0.17 0.00 -2.02 0.00 0.00 63.50 61.66 3f3y n PRO 106 Cb 0.51 -1.22 0.55 0.00 -0.02 0.00 0.00 33.50 33.31 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 6.19 0.32 -0.16 -0.52 -0.00 -0.71 -1.22 116.57 120.48 3f3y h LYS 107 Ca -0.18 -0.02 0.05 0.00 -0.00 0.00 0.00 60.65 60.50 3f3y h LYS 107 Cb 1.14 -0.07 -0.01 0.00 -0.00 0.00 0.00 32.23 33.29 3f3y h LYS 107 CO 0.86 0.21 0.19 1.03 -0.00 0.00 0.00 179.45 181.74 3f3y h SER 108 N 0.33 0.00 -0.22 7.07 0.87 -1.78 -1.45 113.55 118.38 3f3y h SER 108 Ca 0.37 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.89 3f3y h SER 108 Cb 0.96 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 3f3y h SER 108 CO -0.10 0.00 0.02 0.15 -0.53 0.00 0.00 176.83 176.37 3f3y h PHE 109 N 0.00 0.49 0.00 2.24 3.57 -1.54 -3.23 116.94 118.46 3f3y h PHE 109 Ca 0.07 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3f3y h PHE 109 Cb 0.45 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.05 3f3y h PHE 109 CO 0.00 0.47 0.00 1.19 -2.23 0.00 0.00 178.31 177.74 3f3y n PHE 110 N -4.31 0.57 -0.34 0.41 3.01 -0.55 -1.12 117.46 115.13 3f3y n PHE 110 Ca 0.01 0.20 0.08 0.00 1.01 0.00 0.00 57.45 58.75 3f3y n PHE 110 Cb 0.22 -0.82 0.23 0.00 -0.01 0.00 0.00 39.48 39.10 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 -1.99 3.49 -4.86 4.37 3.41 -1.22 -5.03 113.62 111.79 3f3y n SER 111 Ca 0.04 -2.12 -0.21 0.00 -0.26 0.00 0.00 58.87 56.32 3f3y n SER 111 Cb 0.30 -0.37 -0.04 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.06 5.09 -0.12 4.04 1.04 -0.28 -5.02 113.70 117.40 3f3y s SER 112 Ca 0.35 -0.67 0.19 0.00 0.48 0.00 0.00 55.95 56.29 3f3y s SER 112 Cb 0.20 -0.71 0.74 0.00 0.10 0.00 0.00 66.02 66.34 3f3y s SER 112 CO 0.21 -0.53 1.65 0.29 0.98 0.00 0.00 173.24 175.84 3f3y n LYS 113 N -1.46 3.79 -1.66 4.02 5.02 -1.26 -5.00 118.16 121.60 3f3y n LYS 113 Ca 0.01 -2.91 -0.42 0.00 -2.02 0.00 0.00 58.31 52.97 3f3y n LYS 113 Cb 0.61 -1.91 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 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 1.17 0.79 -2.63 7.82 0.00 -1.25 -4.86 120.51 121.55 3f3y n ALA 114 Ca 0.26 0.30 -0.38 0.00 0.00 0.00 0.00 53.44 53.62 3f3y n ALA 114 Cb 0.91 -2.18 -0.10 0.00 0.00 0.00 0.00 19.45 18.08 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 -1.98 4.04 -0.11 0.00 1.02 -0.90 -4.82 119.74 117.00 3f3y s LYS 115 Ca 0.60 -0.15 -0.02 0.00 0.02 0.00 0.00 55.97 56.42 3f3y s LYS 115 Cb -0.56 -3.60 -0.03 0.00 -0.52 0.00 0.00 37.83 33.12 3f3y s LYS 115 CO 0.59 -0.09 -0.03 0.14 -0.92 0.00 0.00 175.35 175.04 3f3y s VAL 116 N 1.50 4.05 -0.33 3.17 -7.23 -0.51 -1.16 120.40 119.89 3f3y s VAL 116 Ca 0.11 -0.33 -0.07 0.00 -1.81 0.00 0.00 61.98 59.88 3f3y s VAL 116 Cb -0.15 -2.72 0.03 0.00 0.56 0.00 0.00 36.38 34.11 3f3y s VAL 116 CO 0.08 0.57 0.11 -0.63 -0.31 0.00 0.00 175.10 174.91 3f3y s ILE 117 N -0.45 3.89 -0.26 -0.62 1.01 0.12 -1.09 121.20 123.80 3f3y s ILE 117 Ca 0.08 -1.00 -0.19 0.00 0.00 0.00 0.00 60.65 59.54 3f3y s ILE 117 Cb -0.12 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 3f3y s ILE 117 CO 0.02 -0.12 0.55 -0.47 0.00 0.00 0.00 174.94 174.92 3f3y s TYR 118 N 1.44 3.28 -0.20 3.97 5.04 0.81 -0.29 117.35 131.40 3f3y s TYR 118 Ca -0.00 0.69 -0.04 0.00 -2.44 0.00 0.00 57.07 55.28 3f3y s TYR 118 Cb -0.19 -2.75 -0.02 0.00 0.35 0.00 0.00 41.96 39.35 3f3y s TYR 118 CO 0.03 -0.28 -0.02 -1.17 -1.34 0.00 0.00 175.55 172.77 3f3y s LEU 119 N 2.32 3.12 -0.01 6.97 2.96 -0.63 -0.49 118.68 132.92 3f3y s LEU 119 Ca 0.23 -0.27 0.03 0.00 -0.22 0.00 0.00 54.13 53.90 3f3y s LEU 119 Cb -0.16 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 3f3y s LEU 119 CO 0.09 0.04 -0.06 -0.32 -1.32 0.00 0.00 176.35 174.78 3f3y s MET 120 N 1.11 2.61 0.01 1.98 -2.45 0.36 -4.43 119.30 118.48 3f3y s MET 120 Ca 0.02 -0.68 -0.03 0.00 -1.25 0.00 0.00 55.69 53.74 3f3y s MET 120 Cb -0.14 -2.53 -0.01 0.00 1.25 0.00 0.00 34.83 33.39 3f3y s MET 120 CO 0.01 0.61 0.05 0.50 1.05 0.00 0.00 175.02 177.24 3f3y s ARG 121 N -1.33 0.38 -0.42 4.11 3.52 -1.26 -0.78 118.95 123.18 3f3y s ARG 121 Ca 0.16 -0.49 -0.42 0.00 -0.13 0.00 0.00 55.73 54.85 3f3y s ARG 121 Cb -0.11 0.15 -0.17 0.00 -1.56 0.00 0.00 34.95 33.26 3f3y s ARG 121 CO 0.07 -0.08 1.91 -1.71 -0.81 0.00 0.00 175.30 174.68 3f3y n ASN 122 N 1.57 1.50 0.28 -2.12 5.15 -1.26 -4.82 115.26 115.56 3f3y n ASN 122 Ca -0.23 0.86 0.18 0.00 -0.60 0.00 0.00 54.58 54.79 3f3y n ASN 122 Cb 0.55 -1.01 0.85 0.00 -0.53 0.00 0.00 39.78 39.64 3f3y n ASN 122 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3f3y h PRO 123 N 8.12 0.00 -0.67 1.20 0.13 -1.99 -0.75 132.00 138.04 3f3y h PRO 123 Ca -0.30 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.78 3f3y h PRO 123 Cb 1.37 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.47 3f3y h PRO 123 CO 1.02 0.00 0.26 0.00 -0.23 0.00 0.00 178.00 179.05 3f3y h ARG 124 N 0.00 1.01 -0.19 0.86 3.08 -1.99 0.39 114.38 117.54 3f3y h ARG 124 Ca 0.00 -0.19 -0.19 0.00 0.07 0.00 0.00 59.98 59.67 3f3y h ARG 124 Cb 0.29 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3f3y h ARG 124 CO 0.00 0.85 -0.63 -0.44 -1.07 0.00 0.00 179.97 178.68 3f3y h ASP 125 N 0.96 0.78 -0.60 7.04 3.32 -1.55 -2.55 116.42 123.82 3f3y h ASP 125 Ca 0.22 -0.46 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 3f3y h ASP 125 Cb 0.22 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3f3y h ASP 125 CO -0.02 1.22 0.37 0.58 -1.72 0.00 0.00 179.24 179.68 3f3y h VAL 126 N 0.50 1.17 0.16 -1.35 2.07 -1.12 -1.59 116.25 116.10 3f3y h VAL 126 Ca -0.01 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.16 3f3y h VAL 126 Cb 1.22 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3f3y h VAL 126 CO 0.13 0.17 -0.32 0.25 0.02 0.00 0.00 177.57 177.82 3f3y h LEU 127 N 0.82 -0.90 -0.46 2.57 6.46 -0.13 -1.49 115.31 122.17 3f3y h LEU 127 Ca 0.22 0.10 0.05 0.00 -0.12 0.00 0.00 57.88 58.12 3f3y h LEU 127 Cb -0.04 0.33 -0.04 0.00 -0.73 0.00 0.00 40.66 40.18 3f3y h LEU 127 CO -0.04 -0.41 0.21 0.58 -0.62 0.00 0.00 178.44 178.15 3f3y h VAL 128 N -0.56 0.92 -0.60 1.05 2.07 -1.44 -0.32 116.25 117.37 3f3y h VAL 128 Ca 0.02 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3f3y h VAL 128 Cb 0.57 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3f3y h VAL 128 CO -0.16 0.08 0.33 -1.28 0.02 0.00 0.00 177.57 176.56 3f3y h SER 129 N 0.41 0.74 -0.44 0.57 0.87 -1.13 -2.30 113.55 112.27 3f3y h SER 129 Ca 0.21 -0.09 -0.09 0.00 -1.23 0.00 0.00 61.79 60.59 3f3y h SER 129 Cb 0.15 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 3f3y h SER 129 CO -0.17 0.62 -0.07 1.23 -0.53 0.00 0.00 176.83 177.91 3f3y h GLY 130 N 0.81 0.89 0.12 5.77 0.00 -1.14 -1.97 103.07 107.56 3f3y h GLY 130 Ca 0.21 -0.71 0.08 0.00 0.00 0.00 0.00 47.33 46.90 3f3y h GLY 130 CO -0.03 0.65 -0.18 -1.82 0.00 0.00 0.00 176.54 175.16 3f3y h TYR 131 N 0.66 -0.45 -0.29 5.60 5.03 -0.50 -1.24 116.97 125.78 3f3y h TYR 131 Ca 0.12 0.04 -0.17 0.00 2.58 0.00 0.00 58.73 61.30 3f3y h TYR 131 Cb 0.59 0.25 -0.00 0.00 1.55 0.00 0.00 36.73 39.12 3f3y h TYR 131 CO 0.05 -0.26 -0.49 0.74 -1.32 0.00 0.00 178.16 176.88 3f3y h PHE 132 N -0.13 0.99 -0.39 -3.82 -1.00 -1.51 -3.34 116.94 107.75 3f3y h PHE 132 Ca 0.17 -0.33 0.01 0.00 2.81 0.00 0.00 57.97 60.64 3f3y h PHE 132 Cb 0.40 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.73 3f3y h PHE 132 CO -0.39 1.13 0.24 0.35 -1.61 0.00 0.00 178.31 178.02 3f3y h PHE 133 N 0.64 0.44 0.00 -0.55 3.57 -0.92 -3.15 116.94 116.97 3f3y h PHE 133 Ca 0.03 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3f3y h PHE 133 Cb 1.07 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.66 3f3y h PHE 133 CO 0.06 0.26 0.00 -1.49 -2.23 0.00 0.00 178.31 174.91 3f3y h TRP 134 N 0.48 0.00 -0.71 0.41 -0.00 -1.36 -3.24 115.95 111.53 3f3y h TRP 134 Ca 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.03 3f3y h TRP 134 Cb -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.12 3f3y h TRP 134 CO -0.07 0.00 0.39 0.87 -0.00 0.00 0.00 178.44 179.63 3f3y h LYS 135 N 0.00 1.00 -0.00 0.49 1.57 -1.71 -2.19 116.57 115.72 3f3y h LYS 135 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3f3y h LYS 135 Cb 0.30 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3f3y h LYS 135 CO 0.00 0.74 -0.02 0.09 -0.57 0.00 0.00 179.45 179.69 3f3y n ASN 136 N -4.48 0.12 -4.66 0.86 4.13 -1.22 -4.84 115.26 105.16 3f3y n ASN 136 Ca 0.06 -0.45 -0.39 0.00 1.68 0.00 0.00 54.58 55.48 3f3y n ASN 136 Cb 0.09 -0.17 -0.07 0.00 -1.54 0.00 0.00 39.78 38.09 3f3y n ASN 136 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 3f3y s MET 137 N -2.41 4.19 0.48 3.52 -1.94 -0.83 0.12 119.30 122.44 3f3y s MET 137 Ca 0.33 0.37 0.30 0.00 -1.71 0.00 0.00 55.69 54.99 3f3y s MET 137 Cb 0.21 -3.56 1.14 0.00 2.01 0.00 0.00 34.83 34.63 3f3y s MET 137 CO 0.44 -0.13 1.88 0.87 -0.01 0.00 0.00 175.02 178.08 3f3y h LYS 138 N 7.44 0.00 -0.09 2.03 1.57 -1.36 -3.27 116.57 122.89 3f3y h LYS 138 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3f3y h LYS 138 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3f3y h LYS 138 CO 0.73 0.00 0.00 1.97 -0.57 0.00 0.00 179.45 181.58 3f3y n PHE 139 N -2.94 0.11 -3.62 -1.35 -1.74 -1.26 -4.95 117.46 101.71 3f3y n PHE 139 Ca 0.01 -0.18 -0.36 0.00 -0.56 0.00 0.00 57.45 56.36 3f3y n PHE 139 Cb 0.33 -0.01 -0.07 0.00 1.52 0.00 0.00 39.48 41.25 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 -0.74 5.33 -0.11 1.97 1.09 -1.23 -4.31 121.20 123.19 3f3y s ILE 140 Ca 0.11 0.44 -0.32 0.00 -1.10 0.00 0.00 60.65 59.78 3f3y s ILE 140 Cb 0.07 -3.57 -0.09 0.00 -1.06 0.00 0.00 42.46 37.80 3f3y s ILE 140 CO 0.09 0.44 2.02 2.29 -0.10 0.00 0.00 174.94 179.68 3f3y n LYS 141 N 3.27 2.20 -3.59 2.79 0.00 -1.26 -4.99 118.16 116.58 3f3y n LYS 141 Ca -0.14 0.76 -0.36 0.00 -0.00 0.00 0.00 58.31 58.56 3f3y n LYS 141 Cb 0.52 -2.86 -0.06 0.00 -0.00 0.00 0.00 35.03 32.64 3f3y n LYS 141 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3f3y s LYS 142 N 4.94 3.79 0.57 -1.58 1.02 -1.26 -5.03 119.74 122.18 3f3y s LYS 142 Ca 0.95 0.24 -0.17 0.00 0.02 0.00 0.00 55.97 57.01 3f3y s LYS 142 Cb -0.56 -3.13 -0.05 0.00 -0.52 0.00 0.00 37.83 33.57 3f3y s LYS 142 CO 0.45 0.65 1.06 -1.25 -0.92 0.00 0.00 175.35 175.34 3f3y s PRO 143 N -1.41 3.41 0.41 -1.68 0.04 -1.26 -4.97 135.00 129.55 3f3y s PRO 143 Ca 0.26 1.26 0.16 0.00 0.04 0.00 0.00 61.00 62.72 3f3y s PRO 143 Cb -0.15 -2.04 0.90 0.00 0.04 0.00 0.00 34.50 33.25 3f3y s PRO 143 CO 0.14 -0.74 1.89 1.57 0.04 0.00 0.00 177.00 179.91 3f3y h LYS 144 N 0.71 0.00 -2.72 4.56 -0.00 -1.98 -3.47 116.57 113.65 3f3y h LYS 144 Ca -0.48 0.00 0.08 0.00 -0.00 0.00 0.00 60.65 60.26 3f3y h LYS 144 Cb 1.22 0.00 -0.09 0.00 -0.00 0.00 0.00 32.23 33.36 3f3y h LYS 144 CO 0.58 0.29 0.33 -1.54 -0.00 0.00 0.00 179.45 179.11 3f3y s SER 145 N -6.77 -0.33 0.17 7.07 1.04 -1.26 -5.00 113.70 108.62 3f3y s SER 145 Ca -0.03 -0.32 -0.18 0.00 0.48 0.00 0.00 55.95 55.90 3f3y s SER 145 Cb 0.14 0.59 0.10 0.00 0.10 0.00 0.00 66.02 66.95 3f3y s SER 145 CO 0.69 -1.04 1.66 -0.25 0.98 0.00 0.00 173.24 175.28 3f3y h TRP 146 N 2.00 -0.31 -0.44 5.02 2.91 -1.99 -1.89 115.95 121.25 3f3y h TRP 146 Ca -0.24 0.04 0.06 0.00 1.13 0.00 0.00 58.89 59.87 3f3y h TRP 146 Cb 1.26 0.20 -0.05 0.00 -0.51 0.00 0.00 29.16 30.06 3f3y h TRP 146 CO 0.34 -0.21 0.15 0.93 -1.03 0.00 0.00 178.44 178.62 3f3y h GLU 147 N -0.05 0.31 -0.13 2.65 3.07 -1.99 0.01 114.58 118.45 3f3y h GLU 147 Ca 0.20 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.04 3f3y h GLU 147 Cb 0.35 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 3f3y h GLU 147 CO -0.44 0.20 0.08 1.49 -1.40 0.00 0.00 179.01 178.94 3f3y h GLU 148 N 0.32 0.18 -0.80 2.33 4.81 -1.85 -2.33 114.58 117.23 3f3y h GLU 148 Ca 0.20 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3f3y h GLU 148 Cb 0.20 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 3f3y h GLU 148 CO -0.21 0.16 0.53 -0.92 -0.73 0.00 0.00 179.01 177.83 3f3y h TYR 149 N 0.15 1.00 -0.74 0.92 3.20 -1.15 -0.68 116.97 119.67 3f3y h TYR 149 Ca 0.05 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.06 3f3y h TYR 149 Cb 0.02 -0.34 -0.08 0.00 1.54 0.00 0.00 36.73 37.87 3f3y h TYR 149 CO -0.06 0.62 0.34 0.35 -1.64 0.00 0.00 178.16 177.78 3f3y h PHE 150 N 1.07 0.60 -0.25 -3.82 3.57 -0.89 -1.30 116.94 115.92 3f3y h PHE 150 Ca 0.30 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.77 3f3y h PHE 150 Cb -0.11 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 3f3y h PHE 150 CO -0.02 0.16 -0.07 1.49 -2.23 0.00 0.00 178.31 177.64 3f3y h GLU 151 N 0.54 0.49 -0.57 1.11 4.57 -0.68 -2.59 114.58 117.46 3f3y h GLU 151 Ca 0.39 -0.19 0.10 0.00 -1.18 0.00 0.00 59.36 58.47 3f3y h GLU 151 Cb 0.50 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.99 3f3y h GLU 151 CO -0.33 0.72 0.16 -1.49 -1.18 0.00 0.00 179.01 176.89 3f3y h TRP 152 N 0.23 0.26 -0.24 0.92 6.55 -0.98 -2.41 115.95 120.28 3f3y h TRP 152 Ca 0.06 0.03 -0.10 0.00 0.95 0.00 0.00 58.89 59.84 3f3y h TRP 152 Cb 0.55 -0.03 -0.01 0.00 -0.86 0.00 0.00 29.16 28.80 3f3y h TRP 152 CO 0.05 0.03 -0.26 0.35 -1.05 0.00 0.00 178.44 177.56 3f3y h PHE 153 N 0.31 0.52 -0.02 0.49 3.57 -1.15 -0.33 116.94 120.32 3f3y h PHE 153 Ca 0.29 -0.11 -0.17 0.00 3.53 0.00 0.00 57.97 61.51 3f3y h PHE 153 Cb 0.39 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 3f3y h PHE 153 CO -0.21 0.68 -0.75 0.00 -2.23 0.00 0.00 178.31 175.80 3f3y h GLN 155 N 0.08 0.00 0.00 0.00 -0.00 -1.15 -3.48 115.11 110.57 3f3y h GLN 155 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 3f3y h GLN 155 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.80 3f3y h GLN 155 CO 0.11 0.04 0.00 0.41 -0.00 0.00 0.00 178.83 179.39 3f3y n GLY 156 N 1.16 0.76 2.70 0.06 0.00 -0.28 -4.88 105.19 104.71 3f3y n GLY 156 Ca 0.01 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.44 3.82 -4.43 2.61 -2.24 -0.34 -3.45 114.28 107.81 3f3y n THR 157 Ca 0.00 -3.96 -0.21 0.00 -2.27 0.00 0.00 64.05 57.61 3f3y n THR 157 Cb 0.00 -1.46 -0.10 0.00 -2.10 0.00 0.00 70.33 66.67 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 -3.69 1.68 -0.20 2.28 -7.23 -1.26 -4.87 120.40 107.11 3f3y s VAL 158 Ca 0.54 -2.14 -0.42 0.00 -1.81 0.00 0.00 61.98 58.15 3f3y s VAL 158 Cb 0.38 -2.44 -0.19 0.00 0.56 0.00 0.00 36.38 34.69 3f3y s VAL 158 CO -0.30 -0.31 1.35 0.18 -0.31 0.00 0.00 175.10 175.71 3f3y n LEU 159 N -0.58 0.82 0.00 1.32 4.77 -1.26 -0.51 117.00 121.56 3f3y n LEU 159 Ca -0.05 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.08 3f3y n LEU 159 Cb 0.63 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 3f3y n LEU 159 CO 0.40 -1.30 0.00 -1.22 -1.33 0.00 0.00 177.39 173.94 3f3y n TYR 160 N 2.86 0.00 -4.08 -1.77 4.02 0.92 -4.91 117.16 114.21 3f3y n TYR 160 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.13 3f3y n TYR 160 Cb 0.04 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.12 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 -2.27 -0.95 3.75 2.72 0.00 0.34 -4.85 105.19 103.93 3f3y n GLY 161 Ca 0.00 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 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 7.26 0.24 1.61 0.15 -1.22 -4.53 113.70 113.21 3f3y s SER 162 Ca 0.00 2.20 -0.04 0.00 0.70 0.00 0.00 55.95 58.81 3f3y s SER 162 Cb 0.00 -2.62 0.28 0.00 -1.71 0.00 0.00 66.02 61.97 3f3y s SER 162 CO 0.00 -0.18 1.76 -0.25 1.20 0.00 0.00 173.24 175.77 3f3y h TRP 163 N 4.39 0.97 -0.29 3.44 7.01 -1.89 -1.42 115.95 128.16 3f3y h TRP 163 Ca -0.46 -0.12 -0.05 0.00 2.11 0.00 0.00 58.89 60.38 3f3y h TRP 163 Cb 1.21 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.99 3f3y h TRP 163 CO 0.60 0.83 -0.02 0.74 -2.79 0.00 0.00 178.44 177.81 3f3y h PHE 164 N 0.88 0.58 0.20 2.65 -1.00 -1.94 -1.24 116.94 117.08 3f3y h PHE 164 Ca 0.18 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 60.85 3f3y h PHE 164 Cb 0.38 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.79 3f3y h PHE 164 CO 0.02 0.68 -0.09 -0.44 -1.61 0.00 0.00 178.31 176.87 3f3y h ASP 165 N 0.31 -0.22 -0.75 2.17 3.45 -1.94 -1.74 116.42 117.69 3f3y h ASP 165 Ca 0.08 -0.13 0.14 0.00 0.43 0.00 0.00 57.03 57.55 3f3y h ASP 165 Cb 0.46 0.06 -0.14 0.00 -0.56 0.00 0.00 39.33 39.15 3f3y h ASP 165 CO 0.02 0.00 -0.24 -0.74 -1.57 0.00 0.00 179.24 176.71 3f3y h HIS 166 N -0.45 -0.59 -0.03 4.55 2.76 -1.18 -1.24 115.15 118.98 3f3y h HIS 166 Ca -0.03 0.07 -0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3f3y h HIS 166 Cb 0.34 0.37 -0.00 0.00 1.55 0.00 0.00 27.41 29.67 3f3y h HIS 166 CO -0.01 -0.35 0.01 0.82 -1.30 0.00 0.00 177.93 177.10 3f3y h ILE 167 N -0.04 1.15 -0.89 6.26 1.08 -1.13 -2.92 117.51 121.01 3f3y h ILE 167 Ca 0.34 -0.44 0.13 0.00 -0.39 0.00 0.00 64.86 64.49 3f3y h ILE 167 Cb 0.57 1.40 -0.09 0.00 -3.07 0.00 0.00 36.82 35.63 3f3y h ILE 167 CO -0.79 0.12 0.51 0.45 -0.69 0.00 0.00 178.15 177.75 3f3y h HIS 168 N -0.13 0.92 -0.83 1.37 3.86 -0.68 -1.92 115.15 117.74 3f3y h HIS 168 Ca 0.01 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 3f3y h HIS 168 Cb 0.18 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.34 3f3y h HIS 168 CO -0.01 0.31 0.37 0.78 0.86 0.00 0.00 177.93 180.23 3f3y h GLY 169 N 0.78 1.30 0.53 2.45 0.00 -1.11 -3.29 103.07 103.73 3f3y h GLY 169 Ca 0.46 -0.67 -0.19 0.00 0.00 0.00 0.00 47.33 46.93 3f3y h GLY 169 CO -0.30 0.63 -1.79 0.79 0.00 0.00 0.00 176.54 175.87 3f3y n TRP 170 N -4.29 0.53 -0.30 5.60 7.02 -1.00 -4.38 117.44 120.62 3f3y n TRP 170 Ca 0.08 0.18 0.08 0.00 -1.02 0.00 0.00 57.50 56.82 3f3y n TRP 170 Cb 0.16 -0.95 0.30 0.00 -2.42 0.00 0.00 31.31 28.39 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 0.85 -0.03 -0.99 2.86 -1.43 -2.07 114.93 114.12 3f3y h MET 171 Ca -0.24 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.36 3f3y h MET 171 Cb 1.66 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 33.12 3f3y h MET 171 CO 0.03 0.56 0.29 -1.35 1.06 0.00 0.00 176.91 177.50 3f3y h PRO 172 N 0.88 0.00 0.00 -0.22 0.11 -1.76 0.13 132.00 131.14 3f3y h PRO 172 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 3f3y h PRO 172 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3f3y h PRO 172 CO -0.21 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 176.25 3f3y n MET 173 N -2.99 0.21 0.00 1.05 2.81 -0.78 -4.13 117.12 113.30 3f3y n MET 173 Ca -0.02 0.22 0.01 0.00 -1.81 0.00 0.00 57.70 56.11 3f3y n MET 173 Cb 0.34 -1.76 0.06 0.00 -0.71 0.00 0.00 33.22 31.16 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 -2.13 0.00 0.00 0.03 1.85 0.03 -0.33 116.66 116.12 3f3y n ARG 174 Ca 0.05 0.43 0.10 0.00 -1.00 0.00 0.00 57.85 57.44 3f3y n ARG 174 Cb 0.38 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.22 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 -1.48 0.14 -2.69 2.89 -0.58 -1.26 -4.93 120.64 112.73 3f3y n GLU 175 Ca 0.01 -0.11 -0.39 0.00 -0.42 0.00 0.00 57.16 56.25 3f3y n GLU 175 Cb 0.03 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.35 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 -2.94 4.66 0.40 3.49 0.41 0.55 -4.97 118.70 120.31 3f3y s GLU 176 Ca 0.10 1.49 0.07 0.00 -0.41 0.00 0.00 54.97 56.22 3f3y s GLU 176 Cb 0.16 -3.03 0.84 0.00 -1.78 0.00 0.00 34.13 30.32 3f3y s GLU 176 CO 0.82 0.32 2.04 -0.22 -0.49 0.00 0.00 175.26 177.73 3f3y h LYS 177 N 3.60 0.58 -0.84 1.61 1.63 -1.92 -2.12 116.57 119.11 3f3y h LYS 177 Ca -0.46 -0.03 -0.17 0.00 -0.85 0.00 0.00 60.65 59.13 3f3y h LYS 177 Cb 1.20 -0.13 -0.10 0.00 -0.60 0.00 0.00 32.23 32.60 3f3y h LYS 177 CO 0.66 0.38 0.22 0.27 -3.45 0.00 0.00 179.45 177.53 3f3y n ASN 178 N -4.47 4.00 -4.05 4.20 6.94 -1.26 -4.85 115.26 115.77 3f3y n ASN 178 Ca 0.05 -2.89 -0.30 0.00 -0.02 0.00 0.00 54.58 51.42 3f3y n ASN 178 Cb 0.09 -0.68 -0.17 0.00 -2.36 0.00 0.00 39.78 36.66 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 -2.30 2.17 -0.19 -2.53 5.36 -0.80 -1.43 117.98 118.26 3f3y s PHE 179 Ca 0.40 -1.15 -0.02 0.00 -0.96 0.00 0.00 56.93 55.20 3f3y s PHE 179 Cb 0.32 -1.57 -0.01 0.00 -0.34 0.00 0.00 43.02 41.42 3f3y s PHE 179 CO 0.10 -0.60 -0.09 -1.17 -1.46 0.00 0.00 175.22 172.00 3f3y s LEU 180 N 1.24 2.73 -0.27 6.12 2.96 -0.25 -4.81 118.68 126.41 3f3y s LEU 180 Ca -0.00 -0.42 -0.12 0.00 -0.22 0.00 0.00 54.13 53.37 3f3y s LEU 180 Cb -0.14 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 3f3y s LEU 180 CO -0.07 0.02 0.25 -0.22 -1.32 0.00 0.00 176.35 175.02 3f3y s LEU 181 N 1.20 4.03 0.28 -0.68 2.96 -1.26 -0.13 118.68 125.07 3f3y s LEU 181 Ca 0.02 0.11 0.08 0.00 -0.22 0.00 0.00 54.13 54.12 3f3y s LEU 181 Cb -0.14 -2.23 -0.06 0.00 0.50 0.00 0.00 46.19 44.26 3f3y s LEU 181 CO -0.03 -0.09 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.06 3f3y s LEU 182 N 1.81 2.54 0.10 -0.68 1.43 0.36 -4.97 118.68 119.26 3f3y s LEU 182 Ca 0.10 -1.15 0.10 0.00 -1.03 0.00 0.00 54.13 52.15 3f3y s LEU 182 Cb -0.16 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.29 3f3y s LEU 182 CO 0.10 -0.26 -0.26 -0.94 0.23 0.00 0.00 176.35 175.22 3f3y s SER 183 N -3.45 3.17 0.43 2.29 1.04 -1.26 -0.49 113.70 115.43 3f3y s SER 183 Ca 0.29 -0.70 0.18 0.00 0.48 0.00 0.00 55.95 56.20 3f3y s SER 183 Cb 0.02 -0.23 1.11 0.00 0.10 0.00 0.00 66.02 67.02 3f3y s SER 183 CO 0.12 0.19 1.87 0.22 0.98 0.00 0.00 173.24 176.61 3f3y h TYR 184 N 4.15 0.49 -0.34 5.02 3.20 -1.16 -1.88 116.97 126.45 3f3y h TYR 184 Ca -0.49 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.36 3f3y h TYR 184 Cb 1.16 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 3f3y h TYR 184 CO 0.57 0.14 0.06 0.93 -1.64 0.00 0.00 178.16 178.22 3f3y h GLU 185 N 0.38 0.56 -0.13 1.82 3.07 -1.94 0.93 114.58 119.26 3f3y h GLU 185 Ca 0.45 -0.14 -0.20 0.00 -0.50 0.00 0.00 59.36 58.96 3f3y h GLU 185 Cb 1.14 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 3f3y h GLU 185 CO -0.15 0.63 -0.74 1.05 -1.40 0.00 0.00 179.01 178.39 3f3y h GLU 186 N 0.40 0.62 -0.73 2.33 4.11 -1.89 0.54 114.58 119.96 3f3y h GLU 186 Ca 0.10 -0.50 0.03 0.00 0.07 0.00 0.00 59.36 59.07 3f3y h GLU 186 Cb 0.33 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 3f3y h GLU 186 CO 0.00 1.12 0.48 1.25 0.07 0.00 0.00 179.01 181.93 3f3y h LEU 187 N 0.43 0.77 0.13 3.06 5.85 -1.18 0.30 115.31 124.67 3f3y h LEU 187 Ca -0.04 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.47 3f3y h LEU 187 Cb 1.34 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 42.20 3f3y h LEU 187 CO 0.14 0.54 -0.96 0.50 -0.34 0.00 0.00 178.44 178.32 3f3y h LYS 188 N 0.90 0.28 -0.19 1.25 1.63 -0.61 -2.78 116.57 117.05 3f3y h LYS 188 Ca 0.29 -0.47 -0.02 0.00 -0.85 0.00 0.00 60.65 59.59 3f3y h LYS 188 Cb 0.03 0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 3f3y h LYS 188 CO -0.08 1.23 0.04 0.37 -3.45 0.00 0.00 179.45 177.56 3f3y h GLN 189 N -0.38 0.31 -2.65 1.90 5.75 -0.72 -3.37 115.11 115.95 3f3y h GLN 189 Ca -0.18 -0.08 -0.60 0.00 -0.15 0.00 0.00 58.65 57.64 3f3y h GLN 189 Cb 1.66 -0.04 -0.39 0.00 1.07 0.00 0.00 27.48 29.77 3f3y h GLN 189 CO 0.12 0.45 -0.83 0.34 -2.65 0.00 0.00 178.83 176.26 3f3y s ASP 190 N -5.72 2.73 0.09 -0.69 -1.08 0.08 -5.01 116.67 107.07 3f3y s ASP 190 Ca -0.14 -3.17 -0.25 0.00 -0.52 0.00 0.00 52.55 48.47 3f3y s ASP 190 Cb 0.07 -0.84 -0.15 0.00 -1.46 0.00 0.00 42.92 40.54 3f3y s ASP 190 CO 0.72 -0.17 1.72 0.74 0.52 0.00 0.00 175.17 178.70 3f3y h THR 191 N 4.67 0.87 -0.03 1.71 2.02 -1.65 -0.91 112.91 119.59 3f3y h THR 191 Ca 0.19 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.40 3f3y h THR 191 Cb 0.87 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 68.10 3f3y h THR 191 CO 0.47 0.00 -0.29 1.23 0.37 0.00 0.00 175.52 177.30 3f3y h GLY 192 N -0.16 -0.44 1.18 2.16 0.00 -1.94 -0.42 103.07 103.45 3f3y h GLY 192 Ca -0.01 0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.71 3f3y h GLY 192 CO 0.01 -0.22 0.46 0.07 0.00 0.00 0.00 176.54 176.86 3f3y h ARG 193 N -0.42 0.81 -0.34 4.80 0.11 -1.96 -1.24 114.38 116.14 3f3y h ARG 193 Ca 0.07 -0.05 -0.06 0.00 0.10 0.00 0.00 59.98 60.05 3f3y h ARG 193 Cb 0.52 -0.18 -0.01 0.00 1.11 0.00 0.00 29.97 31.41 3f3y h ARG 193 CO -0.27 0.54 -0.00 1.15 0.10 0.00 0.00 179.97 181.48 3f3y h THR 194 N 0.84 1.26 -0.84 0.08 2.02 -0.69 -1.78 112.91 113.80 3f3y h THR 194 Ca 0.28 -0.97 0.06 0.00 0.77 0.00 0.00 66.41 66.55 3f3y h THR 194 Cb 0.09 1.21 -0.06 0.00 -1.74 0.00 0.00 68.15 67.65 3f3y h THR 194 CO -0.08 0.32 0.52 0.40 0.37 0.00 0.00 175.52 177.05 3f3y h ILE 195 N 0.41 1.04 -0.40 3.11 2.04 -0.66 -0.76 117.51 122.31 3f3y h ILE 195 Ca 0.10 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 3f3y h ILE 195 Cb 0.46 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3f3y h ILE 195 CO 0.02 0.17 0.06 -0.33 0.00 0.00 0.00 178.15 178.07 3f3y h GLU 196 N 0.95 0.60 -0.56 2.37 5.08 -1.05 -0.53 114.58 121.45 3f3y h GLU 196 Ca 0.36 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.53 3f3y h GLU 196 Cb 0.16 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3f3y h GLU 196 CO -0.17 0.58 0.07 -0.22 -1.00 0.00 0.00 179.01 178.28 3f3y h LYS 197 N 0.58 0.94 -0.51 2.33 3.64 -0.34 -2.25 116.57 120.96 3f3y h LYS 197 Ca 0.13 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 3f3y h LYS 197 Cb 0.28 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3f3y h LYS 197 CO 0.00 0.91 0.28 0.82 -2.27 0.00 0.00 179.45 179.19 3f3y h ILE 198 N 0.83 1.18 -0.07 2.00 2.04 -0.67 -2.22 117.51 120.59 3f3y h ILE 198 Ca 0.17 -0.45 0.03 0.00 1.00 0.00 0.00 64.86 65.61 3f3y h ILE 198 Cb 0.44 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3f3y h ILE 198 CO 0.01 0.19 -0.17 0.00 0.00 0.00 0.00 178.15 178.19 3f3y h GLN 200 N -0.24 0.47 -0.32 0.00 4.20 -1.38 0.93 115.11 118.77 3f3y h GLN 200 Ca 0.08 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 3f3y h GLN 200 Cb 0.35 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 3f3y h GLN 200 CO -0.21 0.31 -0.09 0.35 -0.67 0.00 0.00 178.83 178.52 3f3y h PHE 201 N 0.48 0.71 -0.01 2.96 3.57 -0.62 -3.23 116.94 120.81 3f3y h PHE 201 Ca 0.13 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.47 3f3y h PHE 201 Cb -0.06 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.51 3f3y h PHE 201 CO 0.00 0.81 -0.13 1.28 -2.23 0.00 0.00 178.31 178.05 3f3y n LEU 202 N -4.44 0.88 0.00 0.59 4.77 0.56 -4.91 117.00 114.46 3f3y n LEU 202 Ca -0.03 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3f3y n LEU 202 Cb 0.34 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3f3y n LEU 202 CO 0.41 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 3f3y n GLY 203 N 1.25 0.47 3.65 -0.72 0.00 0.13 -5.06 105.19 104.92 3f3y n GLY 203 Ca 0.15 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.81 2.31 0.14 1.61 -0.14 -0.07 -5.01 119.74 115.76 3f3y s LYS 204 Ca 0.00 -1.43 0.09 0.00 -1.36 0.00 0.00 55.97 53.27 3f3y s LYS 204 Cb 0.00 -2.16 -0.04 0.00 -1.68 0.00 0.00 37.83 33.95 3f3y s LYS 204 CO 0.00 0.34 -0.21 0.95 -0.76 0.00 0.00 175.35 175.67 3f3y s THR 205 N -2.33 1.88 0.03 2.17 -4.23 -1.26 -4.21 115.64 107.68 3f3y s THR 205 Ca 0.32 -1.74 0.05 0.00 -1.18 0.00 0.00 61.69 59.13 3f3y s THR 205 Cb -0.06 -1.76 -0.02 0.00 1.34 0.00 0.00 72.50 72.00 3f3y s THR 205 CO 0.20 -0.13 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.24 3f3y s LEU 206 N -2.26 2.14 0.43 4.79 1.43 -1.26 -5.13 118.68 118.82 3f3y s LEU 206 Ca 0.12 -0.41 -0.21 0.00 -1.03 0.00 0.00 54.13 52.60 3f3y s LEU 206 Cb -0.08 -0.66 -0.11 0.00 0.03 0.00 0.00 46.19 45.37 3f3y s LEU 206 CO 0.06 0.08 0.96 -1.83 0.23 0.00 0.00 176.35 175.84 3f3y s GLU 207 N -0.94 4.22 0.31 1.70 4.04 -1.26 -4.89 118.70 121.87 3f3y s GLU 207 Ca 0.03 1.14 0.05 0.00 0.04 0.00 0.00 54.97 56.24 3f3y s GLU 207 Cb -0.07 -2.20 0.82 0.00 0.02 0.00 0.00 34.13 32.70 3f3y s GLU 207 CO 0.01 -0.04 1.63 -1.35 -1.84 0.00 0.00 175.26 173.67 3f3y h PRO 208 N 1.93 0.18 -0.27 -4.83 0.11 -2.01 0.22 132.00 127.33 3f3y h PRO 208 Ca -0.49 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3f3y h PRO 208 Cb 1.18 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3f3y h PRO 208 CO 0.61 0.12 0.02 0.93 -0.21 0.00 0.00 178.00 179.47 3f3y h GLU 209 N 0.18 0.39 -0.07 1.05 3.07 -1.99 -1.49 114.58 115.72 3f3y h GLU 209 Ca 0.61 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 59.28 3f3y h GLU 209 Cb 1.30 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 29.15 3f3y h GLU 209 CO -0.69 0.41 -0.46 0.93 -1.40 0.00 0.00 179.01 177.80 3f3y h GLU 210 N 0.39 0.44 -0.23 2.33 5.08 -0.84 -2.65 114.58 119.10 3f3y h GLU 210 Ca 0.09 -0.37 0.04 0.00 -1.00 0.00 0.00 59.36 58.12 3f3y h GLU 210 Cb 0.23 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 3f3y h GLU 210 CO 0.00 1.01 -0.02 1.25 -1.00 0.00 0.00 179.01 180.25 3f3y h LEU 211 N -0.02 -0.14 -1.53 1.33 5.85 -1.13 -1.71 115.31 117.97 3f3y h LEU 211 Ca -0.04 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.82 3f3y h LEU 211 Cb 1.12 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 3f3y h LEU 211 CO 0.09 -0.04 0.43 0.78 -0.34 0.00 0.00 178.44 179.36 3f3y h ASN 212 N 0.04 0.48 0.47 1.25 2.35 -1.26 0.74 115.58 119.65 3f3y h ASN 212 Ca 0.11 0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 55.69 3f3y h ASN 212 Cb 0.15 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3f3y h ASN 212 CO -0.20 0.30 -0.77 -0.07 -1.65 0.00 0.00 177.43 175.03 3f3y h LEU 213 N 0.54 0.29 -0.09 1.61 3.38 -1.05 0.43 115.31 120.42 3f3y h LEU 213 Ca 0.29 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3f3y h LEU 213 Cb 0.42 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3f3y h LEU 213 CO -0.09 0.96 -0.07 0.40 0.09 0.00 0.00 178.44 179.73 3f3y h ILE 214 N 0.15 1.34 -0.43 1.22 2.04 -0.18 -0.15 117.51 121.50 3f3y h ILE 214 Ca -0.03 -1.16 0.08 0.00 1.00 0.00 0.00 64.86 64.75 3f3y h ILE 214 Cb 1.36 1.92 -0.07 0.00 -0.74 0.00 0.00 36.82 39.28 3f3y h ILE 214 CO 0.12 0.33 -0.03 -0.07 0.00 0.00 0.00 178.15 178.49 3f3y h LEU 215 N -0.19 -0.25 -0.28 1.44 3.38 -0.93 0.93 115.31 119.42 3f3y h LEU 215 Ca 0.02 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.12 3f3y h LEU 215 Cb 0.55 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 3f3y h LEU 215 CO 0.02 -0.08 0.12 0.50 0.09 0.00 0.00 178.44 179.08 3f3y h LYS 216 N 0.07 0.25 0.00 1.13 3.64 -0.83 -3.25 116.57 117.59 3f3y h LYS 216 Ca 0.21 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3f3y h LYS 216 Cb 0.32 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3f3y h LYS 216 CO -0.39 0.16 -0.49 0.09 -2.27 0.00 0.00 179.45 176.56 3f3y n ASN 217 N -5.00 0.50 -1.36 4.20 3.02 -0.08 -3.32 115.26 113.22 3f3y n ASN 217 Ca -0.01 -0.09 0.10 0.00 -0.03 0.00 0.00 54.58 54.55 3f3y n ASN 217 Cb 0.08 0.16 0.32 0.00 -0.61 0.00 0.00 39.78 39.73 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 -1.65 4.15 -4.74 6.41 3.41 0.28 -4.52 113.62 116.95 3f3y n SER 218 Ca 0.05 -2.18 -0.34 0.00 -0.26 0.00 0.00 58.87 56.15 3f3y n SER 218 Cb 0.36 -0.50 0.07 0.00 -0.26 0.00 0.00 64.21 63.89 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 -0.99 4.59 0.24 4.04 1.04 -1.21 -4.81 113.70 116.60 3f3y s SER 219 Ca 0.47 2.18 -0.05 0.00 0.48 0.00 0.00 55.95 59.03 3f3y s SER 219 Cb 0.27 -2.57 0.39 0.00 0.10 0.00 0.00 66.02 64.21 3f3y s SER 219 CO 0.28 -1.99 1.76 0.15 0.98 0.00 0.00 173.24 174.43 3f3y h PHE 220 N -0.18 0.62 -0.18 5.02 3.57 -1.94 -1.40 116.94 122.45 3f3y h PHE 220 Ca -0.47 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.01 3f3y h PHE 220 Cb 1.27 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.84 3f3y h PHE 220 CO 0.51 0.18 -0.07 0.37 -2.23 0.00 0.00 178.31 177.06 3f3y h GLN 221 N 0.56 0.36 -0.31 1.11 5.75 -1.96 0.14 115.11 120.77 3f3y h GLN 221 Ca 0.38 -0.15 0.06 0.00 -0.15 0.00 0.00 58.65 58.79 3f3y h GLN 221 Cb 0.48 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.95 3f3y h GLN 221 CO -0.32 0.66 -0.09 0.77 -2.65 0.00 0.00 178.83 177.20 3f3y h SER 222 N 0.05 -0.31 -0.66 -0.69 0.02 -1.79 0.18 113.55 110.36 3f3y h SER 222 Ca 0.04 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3f3y h SER 222 Cb 0.54 0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.26 3f3y h SER 222 CO 0.02 -0.11 0.31 0.24 -1.14 0.00 0.00 176.83 176.15 3f3y h MET 223 N -0.01 0.95 -0.73 3.45 2.86 -1.15 -0.42 114.93 119.87 3f3y h MET 223 Ca 0.15 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3f3y h MET 223 Cb 0.24 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 3f3y h MET 223 CO -0.32 0.76 0.47 -0.22 1.06 0.00 0.00 176.91 178.65 3f3y h LYS 224 N 0.91 0.96 0.00 1.72 3.64 -0.31 -2.20 116.57 121.29 3f3y h LYS 224 Ca 0.22 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3f3y h LYS 224 Cb 0.13 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3f3y h LYS 224 CO -0.03 0.65 0.00 0.93 -2.27 0.00 0.00 179.45 178.73 3f3y h GLU 225 N 0.99 0.00 -6.38 1.90 4.39 -0.05 -3.45 114.58 111.98 3f3y h GLU 225 Ca 0.26 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.39 3f3y h GLU 225 Cb -0.09 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.47 3f3y h GLU 225 CO -0.06 0.00 0.76 1.21 -1.16 0.00 0.00 179.01 179.77 3f3y s ASN 226 N -6.02 6.66 0.51 1.42 3.84 -0.22 -4.92 114.94 116.21 3f3y s ASN 226 Ca 0.07 0.52 0.25 0.00 0.21 0.00 0.00 52.86 53.90 3f3y s ASN 226 Cb 0.06 -2.51 1.35 0.00 -0.55 0.00 0.00 41.25 39.60 3f3y s ASN 226 CO 0.65 -1.05 1.94 0.11 -2.79 0.00 0.00 177.10 175.96 3f3y h LYS 227 N 8.83 0.09 0.00 0.43 1.57 -1.87 -1.28 116.57 124.34 3f3y h LYS 227 Ca -0.23 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.40 3f3y h LYS 227 Cb 1.07 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 3f3y h LYS 227 CO 1.06 0.06 -0.69 0.52 -0.57 0.00 0.00 179.45 179.83 3f3y h MET 228 N 0.09 0.00 0.00 3.15 2.86 -1.85 -3.36 114.93 115.82 3f3y h MET 228 Ca 0.34 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.98 3f3y h MET 228 Cb 1.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.88 3f3y h MET 228 CO -0.04 0.69 -1.04 0.43 1.06 0.00 0.00 176.91 178.01 3f3y n SER 229 N -3.53 0.83 -0.68 1.22 7.64 -0.51 -1.78 113.62 116.82 3f3y n SER 229 Ca -0.00 -0.75 0.06 0.00 1.01 0.00 0.00 58.87 59.19 3f3y n SER 229 Cb 0.72 1.16 0.15 0.00 -1.01 0.00 0.00 64.21 65.23 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 -1.56 2.87 0.00 6.43 0.23 -1.05 -4.95 115.26 117.22 3f3y n ASN 230 Ca 0.02 -1.92 0.00 0.00 -0.53 0.00 0.00 54.58 52.15 3f3y n ASN 230 Cb 0.32 -0.22 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 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 0.64 0.00 0.30 -2.53 4.02 -1.26 -4.36 117.16 113.97 3f3y n TYR 231 Ca 0.12 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 58.19 3f3y n TYR 231 Cb 0.42 -0.03 0.79 0.00 -0.02 0.00 0.00 39.34 40.50 3f3y n TYR 231 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3f3y h SER 232 N 0.00 0.00 1.33 7.72 4.64 -1.92 -2.25 113.55 123.07 3f3y h SER 232 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3f3y h SER 232 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3f3y h SER 232 CO 0.00 0.00 -0.45 -0.07 -0.87 0.00 0.00 176.83 175.44 3f3y h LEU 233 N 0.00 0.00 -9.10 5.97 3.38 -1.90 -3.47 115.31 110.18 3f3y h LEU 233 Ca 0.00 -0.06 -0.76 0.00 0.09 0.00 0.00 57.88 57.16 3f3y h LEU 233 Cb 0.37 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.17 3f3y h LEU 233 CO 0.00 0.03 0.30 0.18 0.09 0.00 0.00 178.44 179.04 3f3y n LEU 234 N -2.58 0.81 -4.61 1.67 4.77 -0.85 -4.87 117.00 111.34 3f3y n LEU 234 Ca 0.03 1.14 -0.41 0.00 -0.03 0.00 0.00 56.01 56.74 3f3y n LEU 234 Cb 0.50 -1.02 0.01 0.00 -2.33 0.00 0.00 43.42 40.57 3f3y n LEU 234 CO 0.36 -1.43 0.58 -0.24 -1.33 0.00 0.00 177.39 175.33 3f3y n SER 235 N 2.32 1.25 0.00 -1.43 2.88 -1.26 -4.87 113.62 112.51 3f3y n SER 235 Ca 0.21 1.04 0.09 0.00 -1.33 0.00 0.00 58.87 58.88 3f3y n SER 235 Cb 0.11 -1.35 0.53 0.00 -0.75 0.00 0.00 64.21 62.75 3f3y n SER 235 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 3f3y n VAL 236 N -0.47 0.16 1.48 2.46 3.14 -1.26 -1.31 118.33 122.54 3f3y n VAL 236 Ca 0.09 0.04 0.02 0.00 -2.96 0.00 0.00 64.34 61.54 3f3y n VAL 236 Cb 0.39 -0.74 0.06 0.00 -1.06 0.00 0.00 33.84 32.49 3f3y n VAL 236 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 3f3y n ASP 237 N -1.10 0.84 0.00 6.55 5.68 -1.26 -3.90 116.55 123.36 3f3y n ASP 237 Ca 0.12 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.40 3f3y n ASP 237 Cb 0.09 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 3f3y n ASP 237 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 3f3y n TYR 238 N -0.07 0.00 -4.00 2.11 4.02 -0.42 -4.98 117.16 113.82 3f3y n TYR 238 Ca 0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.83 3f3y n TYR 238 Cb 0.14 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.34 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 -1.72 0.23 0.52 -0.72 -7.23 -1.21 -0.98 120.40 109.30 3f3y s VAL 239 Ca 0.00 -0.75 -0.08 0.00 -1.81 0.00 0.00 61.98 59.34 3f3y s VAL 239 Cb 0.00 -0.32 -0.04 0.00 0.56 0.00 0.00 36.38 36.58 3f3y s VAL 239 CO 0.00 -0.33 0.88 0.54 -0.31 0.00 0.00 175.10 175.88 3f3y s VAL 240 N -1.08 4.80 0.00 1.32 0.11 0.32 -4.69 120.40 121.19 3f3y s VAL 240 Ca -0.10 0.54 0.00 0.00 -2.93 0.00 0.00 61.98 59.49 3f3y s VAL 240 Cb -0.08 -3.84 0.00 0.00 -1.53 0.00 0.00 36.38 30.93 3f3y s VAL 240 CO -0.00 -0.91 0.00 0.47 -3.33 0.00 0.00 175.10 171.33 3f3y n ASP 241 N -2.29 0.00 -3.66 3.54 8.00 -1.26 -4.77 116.55 116.12 3f3y n ASP 241 Ca 0.03 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.30 3f3y n ASP 241 Cb 0.55 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.58 3f3y n ASP 241 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3f3y n LYS 242 N 14.00 0.68 0.00 -1.24 4.76 -1.26 -5.05 118.16 130.05 3f3y n LYS 242 Ca 0.00 -3.00 0.00 0.00 -2.87 0.00 0.00 58.31 52.44 3f3y n LYS 242 Cb 0.00 1.49 0.00 0.00 -1.84 0.00 0.00 35.03 34.68 3f3y n LYS 242 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3f3y n ALA 243 N -1.38 0.00 -3.33 7.82 0.00 -1.26 -4.93 120.51 117.43 3f3y n ALA 243 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 3f3y n ALA 243 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 3f3y n ALA 243 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3f3y n GLN 244 N 14.00 3.52 -0.08 0.00 1.13 -1.26 -4.96 117.38 129.72 3f3y n GLN 244 Ca 0.00 -4.50 -0.14 0.00 -1.94 0.00 0.00 57.00 50.42 3f3y n GLN 244 Cb 0.00 -2.49 -0.05 0.00 0.11 0.00 0.00 30.24 27.81 3f3y n GLN 244 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3f3y h LEU 245 N 6.05 0.82 -7.85 1.08 5.85 -1.92 -3.36 115.31 115.98 3f3y h LEU 245 Ca 0.18 -0.51 -0.74 0.00 0.84 0.00 0.00 57.88 57.65 3f3y h LEU 245 Cb 0.78 -0.23 -0.21 0.00 0.37 0.00 0.00 40.66 41.37 3f3y h LEU 245 CO 1.05 1.17 0.70 -0.76 -0.34 0.00 0.00 178.44 180.26 3f3y s LEU 246 N -8.83 5.63 0.00 2.25 1.43 -1.26 -4.87 118.68 113.03 3f3y s LEU 246 Ca -0.12 -2.53 0.00 0.00 -1.03 0.00 0.00 54.13 50.45 3f3y s LEU 246 Cb 0.09 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.98 3f3y s LEU 246 CO 0.85 -0.80 0.00 -1.14 0.23 0.00 0.00 176.35 175.49 3f3y n ARG 247 N 5.35 0.00 0.00 1.70 0.63 -1.26 -4.97 116.66 118.10 3f3y n ARG 247 Ca 0.24 0.15 0.00 0.00 -0.92 0.00 0.00 57.85 57.31 3f3y n ARG 247 Cb 0.47 -0.58 0.00 0.00 0.45 0.00 0.00 32.46 32.80 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 -2.06 0.00 -1.56 -0.14 4.81 -1.26 -5.05 118.16 112.90 3f3y n LYS 248 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3f3y n LYS 248 Cb 0.00 -0.65 0.00 0.00 0.02 0.00 0.00 35.03 34.40 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 2.61 0.42 3.33 3.14 0.00 -1.26 -5.04 105.19 108.39 3f3y n GLY 249 Ca 0.00 -0.93 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 1.22 0.32 1.61 -7.23 -1.26 -5.06 120.40 108.00 3f3y s VAL 250 Ca 0.00 -2.07 -0.06 0.00 -1.81 0.00 0.00 61.98 58.04 3f3y s VAL 250 Cb 0.00 -2.24 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 3f3y s VAL 250 CO 0.00 -0.42 0.61 -0.94 -0.31 0.00 0.00 175.10 174.04 3f3y s SER 251 N -3.30 6.45 0.00 4.85 1.04 -1.26 -4.58 113.70 116.90 3f3y s SER 251 Ca 0.26 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.49 3f3y s SER 251 Cb 0.04 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.98 3f3y s SER 251 CO 0.07 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.65 3f3y n GLY 252 N -1.10 0.65 0.23 7.32 0.00 -1.26 -4.95 105.19 106.08 3f3y n GLY 252 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.84 1.61 -0.00 -1.97 -2.93 116.42 112.30 3f3y h ASP 253 Ca 0.00 0.00 0.23 0.00 -0.00 0.00 0.00 57.03 57.26 3f3y h ASP 253 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 39.29 3f3y h ASP 253 CO 0.00 0.19 0.59 4.11 -0.00 0.00 0.00 179.24 184.13 3f3y h TRP 254 N 0.00 0.17 0.00 0.28 5.08 -1.91 0.19 115.95 119.77 3f3y h TRP 254 Ca -0.00 0.01 -0.00 0.00 1.08 0.00 0.00 58.89 59.97 3f3y h TRP 254 Cb 0.75 -0.05 -0.00 0.00 -3.00 0.00 0.00 29.16 26.86 3f3y h TRP 254 CO 0.00 0.04 -0.00 0.87 -1.28 0.00 0.00 178.44 178.07 3f3y h LYS 255 N 0.13 0.00 -0.00 0.12 1.57 -1.86 -0.83 116.57 115.70 3f3y h LYS 255 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 3f3y h LYS 255 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.74 3f3y h LYS 255 CO -0.06 0.00 -0.12 0.09 -0.57 0.00 0.00 179.45 178.80 3f3y n ASN 256 N -3.47 0.23 0.00 0.86 3.02 0.68 -4.32 115.26 112.26 3f3y n ASN 256 Ca -0.03 -0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 3f3y n ASN 256 Cb 0.08 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 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 -1.28 0.00 -1.97 3.10 8.25 -0.55 -5.02 115.22 117.74 3f3y n HIS 257 Ca 0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 3f3y n HIS 257 Cb 0.30 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.38 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 -1.76 3.08 0.78 4.41 0.40 -0.43 -5.03 117.98 119.44 3f3y s PHE 258 Ca 0.00 0.69 -0.11 0.00 -0.60 0.00 0.00 56.93 56.91 3f3y s PHE 258 Cb 0.00 -3.89 0.06 0.00 0.51 0.00 0.00 43.02 39.70 3f3y s PHE 258 CO 0.00 -3.25 1.08 0.95 0.70 0.00 0.00 175.22 174.70 3f3y s THR 259 N 1.08 3.33 0.26 0.64 -4.23 -1.26 -4.85 115.64 110.62 3f3y s THR 259 Ca 0.69 0.43 -0.04 0.00 -1.18 0.00 0.00 61.69 61.59 3f3y s THR 259 Cb -0.43 -3.03 0.27 0.00 1.34 0.00 0.00 72.50 70.64 3f3y s THR 259 CO 0.32 -0.57 1.90 0.58 -0.54 0.00 0.00 174.62 176.31 3f3y h VAL 260 N -1.10 1.15 -0.80 2.29 2.07 -1.97 -1.41 116.25 116.48 3f3y h VAL 260 Ca -0.45 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 66.69 3f3y h VAL 260 Cb 1.24 -0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 3f3y h VAL 260 CO 0.55 0.23 0.50 0.00 0.02 0.00 0.00 177.57 178.87 3f3y h ALA 261 N 1.42 1.08 -0.13 1.67 0.00 -1.99 -1.27 119.26 120.05 3f3y h ALA 261 Ca 0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3f3y h ALA 261 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3f3y h ALA 261 CO -0.14 0.27 0.03 1.96 0.00 0.00 0.00 179.25 181.36 3f3y h GLN 262 N 0.94 0.20 -0.83 0.00 4.20 -1.75 -2.00 115.11 115.87 3f3y h GLN 262 Ca 0.34 -0.05 0.17 0.00 0.06 0.00 0.00 58.65 59.16 3f3y h GLN 262 Cb 0.10 -0.03 -0.10 0.00 0.30 0.00 0.00 27.48 27.75 3f3y h GLN 262 CO -0.15 0.38 0.38 0.00 -0.67 0.00 0.00 178.83 178.78 3f3y h ALA 263 N 0.81 1.26 -0.38 3.87 0.00 -1.10 0.17 119.26 123.88 3f3y h ALA 263 Ca 0.04 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3f3y h ALA 263 Cb 0.27 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3f3y h ALA 263 CO 0.00 -0.19 -0.22 0.93 0.00 0.00 0.00 179.25 179.76 3f3y h GLU 264 N 0.51 0.83 -0.30 0.00 5.08 -1.11 0.09 114.58 119.68 3f3y h GLU 264 Ca 0.48 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3f3y h GLU 264 Cb 0.76 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 3f3y h GLU 264 CO -0.42 1.02 0.10 -0.44 -1.00 0.00 0.00 179.01 178.27 3f3y h ASP 265 N 0.63 0.43 -0.52 1.42 3.32 -0.70 -2.41 116.42 118.60 3f3y h ASP 265 Ca 0.08 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 3f3y h ASP 265 Cb 0.79 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 3f3y h ASP 265 CO 0.06 0.51 0.28 0.15 -1.72 0.00 0.00 179.24 178.52 3f3y h PHE 266 N 0.33 0.71 0.01 4.55 3.04 -0.63 -1.62 116.94 123.34 3f3y h PHE 266 Ca 0.10 -0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.06 3f3y h PHE 266 Cb 0.22 -0.23 -0.05 0.00 2.56 0.00 0.00 35.95 38.46 3f3y h PHE 266 CO 0.00 0.53 -0.27 -0.44 -2.02 0.00 0.00 178.31 176.11 3f3y h ASP 267 N 0.69 -0.80 -0.62 0.41 3.32 -0.90 0.27 116.42 118.78 3f3y h ASP 267 Ca 0.18 0.11 0.12 0.00 0.02 0.00 0.00 57.03 57.46 3f3y h ASP 267 Cb 0.06 0.33 -0.12 0.00 0.22 0.00 0.00 39.33 39.82 3f3y h ASP 267 CO -0.03 -0.34 -0.20 0.50 -1.72 0.00 0.00 179.24 177.45 3f3y h LYS 268 N -0.42 -0.04 -0.29 3.56 3.64 -1.37 0.10 116.57 121.74 3f3y h LYS 268 Ca 0.06 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 3f3y h LYS 268 Cb 0.50 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3f3y h LYS 268 CO -0.23 -0.03 -0.03 1.25 -2.27 0.00 0.00 179.45 178.15 3f3y h LEU 269 N -0.04 0.53 -1.09 5.20 5.85 -0.67 -0.82 115.31 124.27 3f3y h LEU 269 Ca 0.29 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 3f3y h LEU 269 Cb 0.49 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3f3y h LEU 269 CO -0.66 0.74 0.11 0.15 -0.34 0.00 0.00 178.44 178.44 3f3y h PHE 270 N 0.32 0.78 -0.44 1.25 3.57 -0.12 -0.55 116.94 121.75 3f3y h PHE 270 Ca 0.08 -0.07 -0.14 0.00 3.53 0.00 0.00 57.97 61.37 3f3y h PHE 270 Cb 0.48 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 3f3y h PHE 270 CO 0.04 0.66 -0.27 1.96 -2.23 0.00 0.00 178.31 178.48 3f3y h GLN 271 N 0.73 0.94 -0.08 1.11 1.08 -0.58 -1.17 115.11 117.14 3f3y h GLN 271 Ca 0.16 -0.43 -0.11 0.00 -1.45 0.00 0.00 58.65 56.82 3f3y h GLN 271 Cb 0.28 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 3f3y h GLN 271 CO -0.00 1.09 -0.46 1.49 -0.95 0.00 0.00 178.83 180.00 3f3y h GLU 272 N 0.80 0.20 0.02 1.46 4.22 -0.62 -3.24 114.58 117.41 3f3y h GLU 272 Ca 0.09 -0.10 -0.28 0.00 0.08 0.00 0.00 59.36 59.15 3f3y h GLU 272 Cb 0.85 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 3f3y h GLU 272 CO 0.07 0.62 -1.59 0.87 -2.18 0.00 0.00 179.01 176.80 3f3y h LYS 273 N 0.16 0.04 -0.49 1.92 1.57 -0.97 -3.38 116.57 115.42 3f3y h LYS 273 Ca 0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3f3y h LYS 273 Cb 0.87 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3f3y h LYS 273 CO 0.07 0.67 0.00 -1.33 -0.57 0.00 0.00 179.45 178.29 3f3y n MET 274 N -3.16 3.72 0.03 3.15 2.81 -0.46 -4.55 117.12 118.67 3f3y n MET 274 Ca -0.15 -2.85 -0.04 0.00 -1.81 0.00 0.00 57.70 52.84 3f3y n MET 274 Cb 1.03 -1.90 0.18 0.00 -0.71 0.00 0.00 33.22 31.82 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 3.22 1.02 -0.00 3.04 0.00 -1.74 -2.43 119.26 122.38 3f3y h ALA 275 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3f3y h ALA 275 Cb 1.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3f3y h ALA 275 CO 0.27 0.60 0.00 -0.40 0.00 0.00 0.00 179.25 179.71 3f3y n ASP 276 N -4.06 0.06 -4.46 0.00 3.85 -1.26 -4.78 116.55 105.89 3f3y n ASP 276 Ca -0.01 -1.18 -0.31 0.00 -0.71 0.00 0.00 54.79 52.57 3f3y n ASP 276 Cb 0.46 -0.00 -0.13 0.00 -1.35 0.00 0.00 41.12 40.11 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 -1.83 2.63 0.23 -2.12 1.43 -0.91 -5.10 118.68 113.00 3f3y s LEU 277 Ca 0.40 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.80 3f3y s LEU 277 Cb 0.18 -1.53 -0.10 0.00 0.03 0.00 0.00 46.19 44.77 3f3y s LEU 277 CO 0.31 0.27 1.46 -2.16 0.23 0.00 0.00 176.35 176.46 3f3y s PRO 278 N -1.35 4.26 0.44 1.29 0.04 -1.26 -4.90 135.00 133.52 3f3y s PRO 278 Ca 0.14 2.30 0.19 0.00 0.04 0.00 0.00 61.00 63.68 3f3y s PRO 278 Cb -0.11 -3.12 1.01 0.00 0.04 0.00 0.00 34.50 32.32 3f3y s PRO 278 CO 0.05 -0.46 1.92 0.07 0.04 0.00 0.00 177.00 178.62 3f3y h ARG 279 N 5.44 0.00 0.00 4.56 -0.00 -1.94 -2.09 114.38 120.35 3f3y h ARG 279 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.53 3f3y h ARG 279 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.18 3f3y h ARG 279 CO 0.81 0.26 0.04 -0.85 -0.00 0.00 0.00 179.97 180.22 3f3y n GLU 280 N -3.84 0.05 0.22 0.08 0.00 -1.26 -1.68 120.64 114.21 3f3y n GLU 280 Ca -0.02 0.53 0.12 0.00 0.00 0.00 0.00 57.16 57.80 3f3y n GLU 280 Cb 0.35 -1.72 0.21 0.00 0.00 0.00 0.00 31.44 30.28 3f3y n GLU 280 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 3f3y h LEU 281 N 0.00 0.00 -7.76 -1.84 5.85 -1.76 -3.41 115.31 106.40 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 0.08 0.00 -0.38 0.00 0.37 0.00 0.00 40.66 40.73 3f3y h LEU 281 CO 0.00 0.01 -0.66 -0.36 -0.34 0.00 0.00 178.44 177.10 3f3y s PHE 282 N -3.24 3.68 -0.34 1.25 0.08 -0.68 -5.02 117.98 113.71 3f3y s PHE 282 Ca 0.06 -2.74 -0.05 0.00 0.12 0.00 0.00 56.93 54.32 3f3y s PHE 282 Cb 0.05 -2.99 -0.17 0.00 -0.57 0.00 0.00 43.02 39.35 3f3y s PHE 282 CO 0.66 -0.95 2.74 -0.35 -0.10 0.00 0.00 175.22 177.22 3f3y n PRO 283 N 4.39 1.85 -3.70 0.24 -0.04 -1.26 -4.61 135.00 131.87 3f3y n PRO 283 Ca 0.01 -1.03 -0.14 0.00 -0.04 0.00 0.00 63.50 62.30 3f3y n PRO 283 Cb 0.42 -2.08 -0.08 0.00 -0.04 0.00 0.00 33.50 31.73 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 1.88 -0.27 0.00 0.54 -2.14 -1.26 -4.98 118.94 112.71 3f3y s TRP 284 Ca 0.51 0.37 0.00 0.00 2.66 0.00 0.00 56.10 59.64 3f3y s TRP 284 Cb 0.21 0.17 0.00 0.00 -3.10 0.00 0.00 33.47 30.75 3f3y s TRP 284 CO -0.01 -0.47 0.00 -0.85 -2.66 0.00 0.00 176.95 172.96