#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfx s ARG 4 N 0.00 4.21 0.11 5.55 0.52 -1.26 -4.99 118.95 123.09 1wfx s ARG 4 Ca 0.00 0.43 -0.26 0.00 -0.52 0.00 0.00 55.73 55.38 1wfx s ARG 4 Cb 0.00 -3.55 -0.08 0.00 0.52 0.00 0.00 34.95 31.84 1wfx s ARG 4 CO 0.00 -0.12 1.66 1.25 0.02 0.00 0.00 175.30 178.11 1wfx h LEU 5 N 7.82 -0.57 0.30 2.53 5.85 -2.04 -1.60 115.31 127.60 1wfx h LEU 5 Ca -0.34 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 1wfx h LEU 5 Cb 1.16 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.41 1wfx h LEU 5 CO 0.74 -0.28 -0.18 -1.28 -0.34 0.00 0.00 178.44 177.11 1wfx h SER 6 N -0.37 -0.43 -0.84 1.25 0.87 -1.98 0.36 113.55 112.40 1wfx h SER 6 Ca 0.03 0.03 0.15 0.00 -1.23 0.00 0.00 61.79 60.77 1wfx h SER 6 Cb 0.40 0.13 -0.10 0.00 -0.44 0.00 0.00 62.40 62.40 1wfx h SER 6 CO -0.13 -0.28 0.42 0.50 -0.53 0.00 0.00 176.83 176.81 1wfx h LYS 7 N -0.45 0.58 -0.39 2.24 3.64 -1.98 0.40 116.57 120.61 1wfx h LYS 7 Ca -0.03 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.18 1wfx h LYS 7 Cb 0.37 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1wfx h LYS 7 CO 0.04 0.38 -0.29 1.15 -2.27 0.00 0.00 179.45 178.46 1wfx h THR 8 N 0.60 1.28 -0.18 1.00 2.02 -0.71 -2.88 112.91 114.03 1wfx h THR 8 Ca 0.46 -1.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.19 1wfx h THR 8 Cb 0.67 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 1wfx h THR 8 CO -0.37 0.48 0.09 0.25 0.37 0.00 0.00 175.52 176.34 1wfx h LEU 9 N 0.71 0.23 -1.94 2.58 5.85 0.17 -2.23 115.31 120.68 1wfx h LEU 9 Ca 0.08 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.76 1wfx h LEU 9 Cb 0.84 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1wfx h LEU 9 CO 0.07 0.27 0.18 0.00 -0.34 0.00 0.00 178.44 178.63 1wfx h ALA 10 N 0.97 2.14 -0.15 1.25 0.00 -0.99 0.11 119.26 122.60 1wfx h ALA 10 Ca 0.06 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1wfx h ALA 10 Cb 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1wfx h ALA 10 CO -0.01 -0.21 -0.59 0.78 0.00 0.00 0.00 179.25 179.23 1wfx h GLY 11 N 0.08 0.52 1.63 0.00 0.00 -1.21 -1.37 103.07 102.71 1wfx h GLY 11 Ca 0.12 -0.62 -0.14 0.00 0.00 0.00 0.00 47.33 46.69 1wfx h GLY 11 CO -0.01 0.56 -0.50 -2.22 0.00 0.00 0.00 176.54 174.37 1wfx h ILE 12 N 0.35 1.33 -0.00 2.60 2.04 -0.26 -0.20 117.51 123.37 1wfx h ILE 12 Ca -0.00 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 64.13 1wfx h ILE 12 Cb 1.12 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 1wfx h ILE 12 CO 0.10 0.53 -0.65 0.18 0.00 0.00 0.00 178.15 178.32 1wfx n LEU 13 N -3.97 1.07 -0.02 1.44 4.77 -0.50 -2.69 117.00 117.10 1wfx n LEU 13 Ca -0.02 -0.38 -0.01 0.00 -0.03 0.00 0.00 56.01 55.57 1wfx n LEU 13 Cb 0.56 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 1wfx n LEU 13 CO 0.45 0.23 -0.67 0.54 -1.33 0.00 0.00 177.39 176.61 1wfx n ARG 14 N -1.08 2.34 0.00 3.23 1.74 -0.52 -4.48 116.66 117.89 1wfx n ARG 14 Ca 0.07 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1wfx n ARG 14 Cb 0.36 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 1wfx n ARG 14 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1wfx n HIS 15 N -2.10 0.00 -3.12 -1.55 8.25 -0.25 -1.34 115.22 115.10 1wfx n HIS 15 Ca -0.08 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.18 1wfx n HIS 15 Cb 0.57 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.63 1wfx n HIS 15 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1wfx n HIS 16 N -1.33 -1.22 0.26 4.41 1.44 -0.25 -4.91 115.22 113.62 1wfx n HIS 16 Ca 0.00 -3.06 -0.11 0.00 -2.01 0.00 0.00 57.72 52.54 1wfx n HIS 16 Cb 0.17 0.22 -0.06 0.00 0.12 0.00 0.00 29.99 30.44 1wfx n HIS 16 CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 1wfx h PRO 17 N 4.36 -0.68 -0.89 -1.40 0.11 -1.74 -3.17 132.00 128.58 1wfx h PRO 17 Ca 0.07 0.05 0.21 0.00 0.11 0.00 0.00 66.00 66.43 1wfx h PRO 17 Cb 0.93 0.16 -0.06 0.00 0.11 0.00 0.00 31.00 32.13 1wfx h PRO 17 CO 0.39 -0.46 0.60 0.78 -0.21 0.00 0.00 178.00 179.10 1wfx h GLY 18 N -0.71 0.74 0.05 -0.55 0.00 -1.84 0.32 103.07 101.08 1wfx h GLY 18 Ca -0.07 -0.16 0.27 0.00 0.00 0.00 0.00 47.33 47.38 1wfx h GLY 18 CO 0.08 -0.01 0.69 -0.09 0.00 0.00 0.00 176.54 177.21 1wfx h ARG 19 N 0.34 0.10 -0.19 4.80 2.43 -1.88 0.63 114.38 120.61 1wfx h ARG 19 Ca 0.46 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 1wfx h ARG 19 Cb 1.23 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1wfx h ARG 19 CO -0.15 0.07 0.00 0.66 -1.51 0.00 0.00 179.97 179.03 1wfx n TYR 20 N -4.32 0.60 -2.48 2.20 4.02 0.97 -4.97 117.16 113.18 1wfx n TYR 20 Ca 0.21 -0.85 -0.17 0.00 -0.01 0.00 0.00 57.90 57.08 1wfx n TYR 20 Cb 0.98 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 40.07 1wfx n TYR 20 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1wfx n GLY 21 N -0.63 -0.32 3.53 2.72 0.00 0.22 -4.28 105.19 106.44 1wfx n GLY 21 Ca 0.18 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1wfx n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wfx s VAL 22 N -2.91 3.96 -0.15 1.61 1.01 -0.38 -4.90 120.40 118.64 1wfx s VAL 22 Ca 0.07 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 1wfx s VAL 22 Cb -0.03 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1wfx s VAL 22 CO 0.09 0.52 0.03 -0.60 0.00 0.00 0.00 175.10 175.13 1wfx s ARG 23 N 0.09 3.67 0.07 2.72 3.52 -1.26 -2.61 118.95 125.15 1wfx s ARG 23 Ca -0.00 -0.39 0.07 0.00 -0.13 0.00 0.00 55.73 55.28 1wfx s ARG 23 Cb -0.13 -3.05 -0.04 0.00 -1.56 0.00 0.00 34.95 30.17 1wfx s ARG 23 CO 0.03 0.38 -0.15 -0.51 -0.81 0.00 0.00 175.30 174.24 1wfx s LEU 24 N 0.04 2.79 0.92 -0.88 1.43 -1.26 -4.54 118.68 117.17 1wfx s LEU 24 Ca 0.04 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.60 1wfx s LEU 24 Cb -0.13 -1.63 0.20 0.00 0.03 0.00 0.00 46.19 44.66 1wfx s LEU 24 CO 0.01 0.22 1.25 0.42 0.23 0.00 0.00 176.35 178.49 1wfx s THR 25 N -1.05 2.01 0.34 5.49 -4.23 -0.99 -4.88 115.64 112.33 1wfx s THR 25 Ca 0.17 -0.17 0.16 0.00 -1.18 0.00 0.00 61.69 60.67 1wfx s THR 25 Cb -0.11 -2.84 0.13 0.00 1.34 0.00 0.00 72.50 71.02 1wfx s THR 25 CO 0.09 0.00 1.84 0.03 -0.54 0.00 0.00 174.62 176.04 1wfx h ARG 26 N -1.41 0.00 0.00 3.99 3.08 -1.93 -0.98 114.38 117.13 1wfx h ARG 26 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.63 1wfx h ARG 26 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1wfx h ARG 26 CO 0.35 0.34 0.00 0.39 -1.07 0.00 0.00 179.97 179.98 1wfx n GLU 27 N -3.93 0.72 -0.33 0.04 -0.58 -1.26 0.00 120.64 115.30 1wfx n GLU 27 Ca -0.02 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1wfx n GLU 27 Cb 0.40 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 1wfx n GLU 27 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wfx n GLY 28 N 0.94 1.37 3.74 0.62 0.00 -0.37 -4.63 105.19 106.85 1wfx n GLY 28 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1wfx n GLY 28 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wfx s TRP 29 N -2.98 2.31 0.06 1.61 0.52 -1.26 -4.51 118.94 114.68 1wfx s TRP 29 Ca 0.00 1.60 -0.12 0.00 0.02 0.00 0.00 56.10 57.61 1wfx s TRP 29 Cb 0.00 -3.25 0.01 0.00 -1.15 0.00 0.00 33.47 29.09 1wfx s TRP 29 CO 0.00 -2.13 0.26 0.00 0.02 0.00 0.00 176.95 175.10 1wfx s ALA 30 N -2.43 -0.51 -0.00 0.98 0.00 0.32 -2.35 121.76 117.76 1wfx s ALA 30 Ca 0.67 -0.23 -0.24 0.00 0.00 0.00 0.00 51.96 52.16 1wfx s ALA 30 Cb -0.22 0.39 -0.05 0.00 0.00 0.00 0.00 23.12 23.24 1wfx s ALA 30 CO 0.48 -0.45 0.71 1.03 0.00 0.00 0.00 175.76 177.54 1wfx s ARG 31 N -3.04 4.44 0.17 0.00 1.81 -1.26 -0.05 118.95 121.03 1wfx s ARG 31 Ca -0.02 0.94 -0.14 0.00 -1.72 0.00 0.00 55.73 54.80 1wfx s ARG 31 Cb 0.01 -3.39 0.10 0.00 -0.45 0.00 0.00 34.95 31.22 1wfx s ARG 31 CO -0.06 0.22 1.80 0.28 -0.68 0.00 0.00 175.30 176.86 1wfx h VAL 32 N 4.36 1.02 -0.45 3.52 2.07 -1.81 -1.10 116.25 123.87 1wfx h VAL 32 Ca -0.43 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 66.96 1wfx h VAL 32 Cb 1.20 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 1wfx h VAL 32 CO 0.72 0.10 0.14 0.77 0.02 0.00 0.00 177.57 179.32 1wfx h SER 33 N 0.56 0.12 -0.48 0.57 4.64 -1.93 0.26 113.55 117.29 1wfx h SER 33 Ca 0.20 0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.56 1wfx h SER 33 Cb 0.05 0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 1wfx h SER 33 CO -0.11 0.10 0.24 -0.08 -0.87 0.00 0.00 176.83 176.11 1wfx h GLU 34 N 0.30 0.73 -0.22 4.77 4.81 -1.86 0.16 114.58 123.27 1wfx h GLU 34 Ca 0.21 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.28 1wfx h GLU 34 Cb 0.23 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 1wfx h GLU 34 CO -0.24 0.58 -0.14 0.28 -0.73 0.00 0.00 179.01 178.77 1wfx h VAL 35 N 0.73 1.31 -0.01 0.32 2.07 0.15 -1.13 116.25 119.70 1wfx h VAL 35 Ca 0.18 -1.25 0.01 0.00 0.82 0.00 0.00 66.70 66.47 1wfx h VAL 35 Cb 0.10 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1wfx h VAL 35 CO -0.02 0.38 -0.06 0.58 0.02 0.00 0.00 177.57 178.47 1wfx h VAL 36 N 0.17 0.83 -0.23 2.57 2.07 0.20 0.53 116.25 122.40 1wfx h VAL 36 Ca 0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.58 1wfx h VAL 36 Cb 0.66 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1wfx h VAL 36 CO 0.04 0.00 0.11 -0.08 0.02 0.00 0.00 177.57 177.66 1wfx h GLU 37 N -0.11 0.23 -0.85 1.57 4.57 -0.73 -0.63 114.58 118.62 1wfx h GLU 37 Ca 0.03 -0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.33 1wfx h GLU 37 Cb 0.14 -0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 28.59 1wfx h GLU 37 CO -0.07 0.15 0.46 0.78 -1.18 0.00 0.00 179.01 179.15 1wfx h GLY 38 N 0.23 1.37 1.42 1.92 0.00 -0.72 0.18 103.07 107.48 1wfx h GLY 38 Ca 0.09 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 47.01 1wfx h GLY 38 CO -0.07 0.02 -0.35 1.41 0.00 0.00 0.00 176.54 177.55 1wfx h LEU 39 N 0.69 0.67 -0.14 3.11 3.38 -0.37 -2.46 115.31 120.20 1wfx h LEU 39 Ca 0.45 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1wfx h LEU 39 Cb 0.57 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1wfx h LEU 39 CO -0.32 0.96 0.03 0.03 0.09 0.00 0.00 178.44 179.23 1wfx h ARG 40 N 0.54 0.23 0.00 1.13 3.08 0.51 0.74 114.38 120.61 1wfx h ARG 40 Ca 0.06 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1wfx h ARG 40 Cb 0.85 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1wfx h ARG 40 CO 0.07 0.40 0.00 1.63 -1.07 0.00 0.00 179.97 181.00 1wfx n LYS 41 N -4.82 0.13 -0.58 0.04 5.02 0.43 0.62 118.16 119.00 1wfx n LYS 41 Ca -0.05 0.59 0.08 0.00 -2.02 0.00 0.00 58.31 56.91 1wfx n LYS 41 Cb 0.17 -1.90 0.32 0.00 -0.02 0.00 0.00 35.03 33.60 1wfx n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wfx n ALA 42 N -1.75 3.12 -0.53 7.82 0.00 -0.68 -4.90 120.51 123.60 1wfx n ALA 42 Ca -0.01 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 52.00 1wfx n ALA 42 Cb 0.06 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1wfx n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wfx n GLY 43 N 0.99 0.75 3.44 0.00 0.00 0.20 -4.99 105.19 105.59 1wfx n GLY 43 Ca 0.23 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.81 1wfx n GLY 43 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wfx s TRP 44 N -2.64 3.59 0.17 1.61 0.52 0.17 -4.85 118.94 117.51 1wfx s TRP 44 Ca 0.00 -2.15 -0.13 0.00 0.02 0.00 0.00 56.10 53.85 1wfx s TRP 44 Cb 0.00 -4.23 0.07 0.00 -1.15 0.00 0.00 33.47 28.16 1wfx s TRP 44 CO 0.00 -1.33 1.75 0.77 0.02 0.00 0.00 176.95 178.16 1wfx h SER 45 N 7.26 0.76 1.15 2.95 0.02 -1.83 -3.09 113.55 120.77 1wfx h SER 45 Ca 0.28 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1wfx h SER 45 Cb 0.89 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1wfx h SER 45 CO 1.18 0.69 0.00 4.11 -1.14 0.00 0.00 176.83 181.67 1wfx h TRP 46 N 0.79 0.00 -2.27 3.45 5.08 -1.98 -3.46 115.95 117.56 1wfx h TRP 46 Ca 0.20 0.00 -0.58 0.00 1.08 0.00 0.00 58.89 59.59 1wfx h TRP 46 Cb 0.13 0.00 0.05 0.00 -3.00 0.00 0.00 29.16 26.34 1wfx h TRP 46 CO -0.00 0.00 0.85 0.28 -1.28 0.00 0.00 178.44 178.29 1wfx n VAL 47 N -2.66 0.08 -4.14 0.12 0.31 -1.17 -4.99 118.33 105.89 1wfx n VAL 47 Ca 0.02 -0.01 -0.13 0.00 -0.01 0.00 0.00 64.34 64.21 1wfx n VAL 47 Cb 0.34 -1.62 -0.11 0.00 -0.91 0.00 0.00 33.84 31.54 1wfx n VAL 47 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1wfx s GLU 48 N 1.35 0.74 0.53 5.55 2.02 -1.26 -4.93 118.70 122.71 1wfx s GLU 48 Ca 0.80 -1.08 0.37 0.00 0.02 0.00 0.00 54.97 55.08 1wfx s GLU 48 Cb -0.67 -0.38 1.54 0.00 0.10 0.00 0.00 34.13 34.72 1wfx s GLU 48 CO 0.39 0.05 1.78 0.93 0.02 0.00 0.00 175.26 178.43 1wfx h GLU 49 N 3.71 0.03 -0.03 1.61 5.08 -1.94 0.65 114.58 123.69 1wfx h GLU 49 Ca -0.36 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.85 1wfx h GLU 49 Cb 1.19 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1wfx h GLU 49 CO 0.52 0.02 -0.63 0.11 -1.00 0.00 0.00 179.01 178.03 1wfx h TRP 50 N 0.03 0.17 -0.09 4.33 5.08 -1.99 -2.36 115.95 121.13 1wfx h TRP 50 Ca 0.61 -0.07 0.00 0.00 1.08 0.00 0.00 58.89 60.51 1wfx h TRP 50 Cb 2.36 -0.03 -0.00 0.00 -3.00 0.00 0.00 29.16 28.49 1wfx h TRP 50 CO -0.00 0.72 0.06 0.45 -1.28 0.00 0.00 178.44 178.39 1wfx h HIS 51 N 0.10 0.11 -0.94 0.12 3.86 -1.28 0.23 115.15 117.34 1wfx h HIS 51 Ca -0.01 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.33 1wfx h HIS 51 Cb 1.13 -0.04 -0.08 0.00 1.06 0.00 0.00 27.41 29.49 1wfx h HIS 51 CO 0.01 0.08 0.60 0.82 0.86 0.00 0.00 177.93 180.30 1wfx h ILE 52 N 0.11 0.89 -0.14 2.45 1.08 -1.50 0.73 117.51 121.13 1wfx h ILE 52 Ca 0.03 -0.29 -0.22 0.00 -0.39 0.00 0.00 64.86 63.99 1wfx h ILE 52 Cb -0.00 -0.04 0.01 0.00 -3.07 0.00 0.00 36.82 33.72 1wfx h ILE 52 CO -0.01 0.16 -0.75 0.58 -0.69 0.00 0.00 178.15 177.44 1wfx h VAL 53 N 0.86 1.29 -0.07 1.67 2.07 -0.95 -2.21 116.25 118.90 1wfx h VAL 53 Ca 0.46 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 66.03 1wfx h VAL 53 Cb 0.57 2.02 -0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1wfx h VAL 53 CO -0.23 0.62 0.04 1.23 0.02 0.00 0.00 177.57 179.25 1wfx h GLY 54 N 0.48 0.09 0.40 2.17 0.00 0.11 0.39 103.07 106.71 1wfx h GLY 54 Ca -0.05 -0.03 0.12 0.00 0.00 0.00 0.00 47.33 47.37 1wfx h GLY 54 CO 0.15 0.03 0.47 -2.08 0.00 0.00 0.00 176.54 175.11 1wfx h VAL 55 N 0.08 0.84 -0.08 4.60 2.07 0.42 0.55 116.25 124.72 1wfx h VAL 55 Ca 0.03 -0.25 -0.19 0.00 0.82 0.00 0.00 66.70 67.11 1wfx h VAL 55 Cb -0.00 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 29.82 1wfx h VAL 55 CO -0.01 0.13 -0.69 0.00 0.02 0.00 0.00 177.57 177.02 1wfx h ALA 56 N 1.50 0.19 0.00 1.67 0.00 -0.87 -2.66 119.26 119.09 1wfx h ALA 56 Ca 0.43 -0.58 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1wfx h ALA 56 Cb 0.49 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1wfx h ALA 56 CO -0.29 0.51 -0.32 -0.07 0.00 0.00 0.00 179.25 179.07 1wfx h LEU 57 N 0.24 0.00 -0.97 0.00 3.38 0.14 -3.28 115.31 114.82 1wfx h LEU 57 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1wfx h LEU 57 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1wfx h LEU 57 CO 0.14 0.32 -0.45 1.41 0.09 0.00 0.00 178.44 179.94 1wfx n HIS 58 N -3.26 0.00 -1.67 1.13 8.25 0.15 -4.96 115.22 114.86 1wfx n HIS 58 Ca 0.02 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.03 1wfx n HIS 58 Cb 0.59 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.67 1wfx n HIS 58 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1wfx n ASP 59 N -0.05 2.71 0.10 0.41 -0.08 -1.00 -4.89 116.55 113.75 1wfx n ASP 59 Ca 0.09 1.14 -0.23 0.00 -1.51 0.00 0.00 54.79 54.28 1wfx n ASP 59 Cb 0.44 -1.42 -0.13 0.00 2.34 0.00 0.00 41.12 42.35 1wfx n ASP 59 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1wfx h PRO 60 N 4.30 0.61 0.00 -0.67 0.11 -1.93 -3.25 132.00 131.17 1wfx h PRO 60 Ca -0.45 -0.84 0.00 0.00 0.11 0.00 0.00 66.00 64.82 1wfx h PRO 60 Cb 1.28 0.28 0.00 0.00 0.11 0.00 0.00 31.00 32.67 1wfx h PRO 60 CO 0.76 1.39 0.00 1.63 -0.21 0.00 0.00 178.00 181.57 1wfx n LYS 61 N -3.80 0.06 -2.77 1.05 5.02 -1.26 -4.84 118.16 111.63 1wfx n LYS 61 Ca -0.14 0.19 -0.11 0.00 -2.02 0.00 0.00 58.31 56.23 1wfx n LYS 61 Cb 0.99 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.53 1wfx n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wfx n GLY 62 N 0.19 0.16 0.24 0.72 0.00 -1.23 -4.59 105.19 100.68 1wfx n GLY 62 Ca 0.05 -0.31 0.07 0.00 0.00 0.00 0.00 46.02 45.83 1wfx n GLY 62 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wfx h ARG 63 N -0.90 0.01 -5.74 1.61 3.08 -1.88 -3.45 114.38 107.12 1wfx h ARG 63 Ca -0.26 -0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.19 1wfx h ARG 63 Cb 1.17 -0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.09 1wfx h ARG 63 CO 0.27 0.09 -0.65 0.71 -1.07 0.00 0.00 179.97 179.32 1wfx s TYR 64 N -4.89 2.35 0.05 3.04 1.51 -1.26 -1.22 117.35 116.92 1wfx s TYR 64 Ca -0.05 -0.61 0.03 0.00 -1.01 0.00 0.00 57.07 55.43 1wfx s TYR 64 Cb 0.16 -1.46 -0.03 0.00 -0.11 0.00 0.00 41.96 40.53 1wfx s TYR 64 CO 0.68 0.46 -0.09 -2.00 -1.11 0.00 0.00 175.55 173.49 1wfx s GLU 65 N -3.68 0.60 0.20 -0.62 2.12 -0.82 -4.87 118.70 111.63 1wfx s GLU 65 Ca 0.33 -0.81 0.08 0.00 0.36 0.00 0.00 54.97 54.93 1wfx s GLU 65 Cb 0.05 -0.41 -0.05 0.00 0.26 0.00 0.00 34.13 33.99 1wfx s GLU 65 CO 0.16 0.08 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.30 1wfx s LEU 66 N -1.64 2.55 -0.27 2.70 1.02 -1.26 -2.59 118.68 119.18 1wfx s LEU 66 Ca -0.08 -1.01 -0.26 0.00 0.02 0.00 0.00 54.13 52.80 1wfx s LEU 66 Cb -0.10 -0.68 0.16 0.00 0.02 0.00 0.00 46.19 45.59 1wfx s LEU 66 CO 0.01 -0.16 1.25 0.00 0.02 0.00 0.00 176.35 177.47 1wfx s ARG 67 N -3.58 0.26 0.00 1.70 1.70 -1.08 -4.97 118.95 112.99 1wfx s ARG 67 Ca 0.22 0.24 0.00 0.00 -0.47 0.00 0.00 55.73 55.72 1wfx s ARG 67 Cb -0.01 0.13 0.00 0.00 -0.57 0.00 0.00 34.95 34.50 1wfx s ARG 67 CO 0.07 -0.05 0.00 -1.71 -1.08 0.00 0.00 175.30 172.53 1wfx n ASN 68 N 1.55 0.00 -2.11 -2.89 5.15 -1.26 0.16 115.26 115.85 1wfx n ASN 68 Ca -0.10 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 53.72 1wfx n ASN 68 Cb 0.57 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.84 1wfx n ASN 68 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wfx n GLY 69 N -0.11 -0.22 3.14 8.20 0.00 -1.26 -5.02 105.19 109.92 1wfx n GLY 69 Ca 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 1wfx n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wfx s GLU 70 N -5.20 0.87 -0.03 1.61 2.02 0.42 -2.60 118.70 115.80 1wfx s GLU 70 Ca 0.16 -1.40 -0.22 0.00 0.02 0.00 0.00 54.97 53.53 1wfx s GLU 70 Cb -0.07 0.24 0.04 0.00 0.10 0.00 0.00 34.13 34.44 1wfx s GLU 70 CO 0.19 -0.23 0.47 -1.50 0.02 0.00 0.00 175.26 174.21 1wfx s ILE 71 N -4.03 0.03 0.14 -1.63 2.07 0.93 -2.63 121.20 116.09 1wfx s ILE 71 Ca 0.21 -0.27 -0.18 0.00 -1.41 0.00 0.00 60.65 58.99 1wfx s ILE 71 Cb 0.08 -0.80 0.05 0.00 0.13 0.00 0.00 42.46 41.92 1wfx s ILE 71 CO -0.00 -0.15 0.48 0.00 -1.91 0.00 0.00 174.94 173.36 1wfx s ARG 72 N -1.34 1.17 0.47 3.50 1.70 -1.07 -0.53 118.95 122.85 1wfx s ARG 72 Ca -0.12 -0.64 -0.15 0.00 -0.47 0.00 0.00 55.73 54.34 1wfx s ARG 72 Cb -0.03 0.51 -0.08 0.00 -0.57 0.00 0.00 34.95 34.79 1wfx s ARG 72 CO 0.06 -0.48 0.92 0.00 -1.08 0.00 0.00 175.30 174.72 1wfx s ALA 73 N -3.79 3.14 -0.24 7.88 0.00 -1.26 -1.94 121.76 125.55 1wfx s ALA 73 Ca 0.03 0.10 0.23 0.00 0.00 0.00 0.00 51.96 52.32 1wfx s ALA 73 Cb 0.01 -3.01 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 1wfx s ALA 73 CO -0.12 -0.12 1.02 0.54 0.00 0.00 0.00 175.76 177.08 1wfx n ARG 74 N -1.37 0.60 -1.42 0.00 5.12 -0.36 -4.85 116.66 114.38 1wfx n ARG 74 Ca 0.05 0.11 -0.01 0.00 -1.93 0.00 0.00 57.85 56.07 1wfx n ARG 74 Cb 0.54 -1.81 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 1wfx n ARG 74 CO 0.00 0.00 0.00 2.48 -1.93 0.00 0.00 177.63 178.18 1wfx n TYR 75 N -2.64 -1.01 -1.03 -1.55 0.18 -1.26 -4.88 117.16 104.96 1wfx n TYR 75 Ca -0.00 -0.19 -0.01 0.00 1.88 0.00 0.00 57.90 59.58 1wfx n TYR 75 Cb 0.55 0.09 -0.00 0.00 -0.38 0.00 0.00 39.34 39.60 1wfx n TYR 75 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1wfx n GLY 76 N -0.07 0.39 3.77 -7.48 0.00 -1.26 -4.96 105.19 95.59 1wfx n GLY 76 Ca -0.01 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1wfx n GLY 76 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wfx s HIS 77 N -1.68 2.78 0.00 1.61 3.76 -1.26 -4.87 115.29 115.63 1wfx s HIS 77 Ca 0.00 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 56.44 1wfx s HIS 77 Cb 0.00 -3.37 0.00 0.00 1.11 0.00 0.00 32.58 30.32 1wfx s HIS 77 CO 0.00 -1.59 0.69 -1.13 -0.85 0.00 0.00 174.74 171.85 1wfx n SER 78 N -0.79 1.37 -4.53 1.40 3.41 -0.45 -1.08 113.62 112.95 1wfx n SER 78 Ca 0.09 -1.37 -0.34 0.00 -0.26 0.00 0.00 58.87 56.99 1wfx n SER 78 Cb 0.49 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.32 1wfx n SER 78 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1wfx s ILE 79 N -0.37 3.65 0.08 -1.33 1.01 -1.21 -4.79 121.20 118.23 1wfx s ILE 79 Ca 0.00 -0.48 -0.32 0.00 0.00 0.00 0.00 60.65 59.85 1wfx s ILE 79 Cb 0.00 -2.52 -0.11 0.00 0.01 0.00 0.00 42.46 39.84 1wfx s ILE 79 CO 0.00 0.56 1.84 -2.65 0.00 0.00 0.00 174.94 174.69 1wfx n PRO 80 N 2.73 2.63 -3.45 2.79 -0.02 -1.26 -4.93 135.00 133.48 1wfx n PRO 80 Ca -0.18 0.96 -0.13 0.00 -2.02 0.00 0.00 63.50 62.13 1wfx n PRO 80 Cb 0.53 -2.84 -0.03 0.00 -0.02 0.00 0.00 33.50 31.14 1wfx n PRO 80 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1wfx s VAL 81 N 3.02 0.00 -0.23 -1.45 0.11 -1.26 -4.96 120.40 115.63 1wfx s VAL 81 Ca 0.85 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.91 1wfx s VAL 81 Cb -0.53 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.36 1wfx s VAL 81 CO 0.41 0.00 -0.14 0.21 -3.33 0.00 0.00 175.10 172.25 1wfx s ASN 82 N -2.30 3.89 -0.13 3.54 2.47 0.10 -5.01 114.94 117.50 1wfx s ASN 82 Ca -0.02 -1.03 0.02 0.00 0.42 0.00 0.00 52.86 52.26 1wfx s ASN 82 Cb -0.01 -1.54 0.01 0.00 -1.45 0.00 0.00 41.25 38.27 1wfx s ASN 82 CO -0.07 -0.10 -0.20 -0.69 -3.72 0.00 0.00 177.10 172.32 1wfx s VAL 83 N 1.21 1.86 0.50 -5.21 1.01 -1.26 -4.28 120.40 114.22 1wfx s VAL 83 Ca -0.02 -0.86 -0.21 0.00 0.00 0.00 0.00 61.98 60.89 1wfx s VAL 83 Cb -0.17 -1.65 -0.07 0.00 0.00 0.00 0.00 36.38 34.49 1wfx s VAL 83 CO -0.08 0.51 1.10 -1.61 0.00 0.00 0.00 175.10 175.02 1wfx s GLU 84 N 0.85 3.62 0.87 2.72 0.41 -1.26 -5.03 118.70 120.88 1wfx s GLU 84 Ca -0.07 1.56 -0.12 0.00 -0.41 0.00 0.00 54.97 55.93 1wfx s GLU 84 Cb -0.15 -2.15 0.11 0.00 -1.78 0.00 0.00 34.13 30.16 1wfx s GLU 84 CO -0.01 -0.62 1.13 -2.14 -0.49 0.00 0.00 175.26 173.13 1wfx s PRO 85 N -3.10 1.49 0.17 0.39 0.02 -1.26 -5.04 135.00 127.67 1wfx s PRO 85 Ca 0.68 0.39 0.03 0.00 0.02 0.00 0.00 61.00 62.13 1wfx s PRO 85 Cb -0.22 -1.87 -0.03 0.00 0.02 0.00 0.00 34.50 32.39 1wfx s PRO 85 CO 0.26 -1.98 0.28 -0.51 -0.33 0.00 0.00 177.00 174.73 1wfx s LEU 86 N -5.93 4.29 0.42 -5.54 1.43 0.36 -4.96 118.68 108.76 1wfx s LEU 86 Ca 0.63 0.13 -0.26 0.00 -1.03 0.00 0.00 54.13 53.60 1wfx s LEU 86 Cb -0.14 -2.86 -0.09 0.00 0.03 0.00 0.00 46.19 43.13 1wfx s LEU 86 CO 0.53 0.03 1.35 -2.84 0.23 0.00 0.00 176.35 175.66 1wfx s PRO 87 N -3.35 3.86 0.00 1.29 0.02 -1.26 -4.55 135.00 131.01 1wfx s PRO 87 Ca 0.34 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.62 1wfx s PRO 87 Cb -0.11 -2.72 0.00 0.00 0.02 0.00 0.00 34.50 31.69 1wfx s PRO 87 CO 0.28 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.75 1wfx n GLY 88 N 0.63 3.19 3.74 0.52 0.00 -1.26 -5.07 105.19 106.93 1wfx n GLY 88 Ca 0.04 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 1wfx n GLY 88 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wfx s GLU 89 N -3.52 2.55 0.71 1.61 2.12 -1.26 -4.84 118.70 116.07 1wfx s GLU 89 Ca 0.00 1.82 -0.11 0.00 0.36 0.00 0.00 54.97 57.04 1wfx s GLU 89 Cb 0.00 -1.88 0.02 0.00 0.26 0.00 0.00 34.13 32.53 1wfx s GLU 89 CO 0.00 -1.54 1.07 -2.14 -0.54 0.00 0.00 175.26 172.11 1wfx s PRO 90 N -3.61 2.82 0.76 4.30 0.02 -1.26 -5.04 135.00 132.99 1wfx s PRO 90 Ca 0.77 0.75 -0.11 0.00 0.02 0.00 0.00 61.00 62.42 1wfx s PRO 90 Cb -0.31 -1.99 0.05 0.00 0.02 0.00 0.00 34.50 32.26 1wfx s PRO 90 CO 0.40 -1.13 1.08 -2.14 -0.33 0.00 0.00 177.00 174.88 1wfx s PRO 91 N -5.15 2.41 0.42 5.54 0.02 -1.26 -4.93 135.00 132.04 1wfx s PRO 91 Ca 0.58 0.81 0.08 0.00 0.02 0.00 0.00 61.00 62.50 1wfx s PRO 91 Cb -0.13 -1.94 0.90 0.00 0.02 0.00 0.00 34.50 33.35 1wfx s PRO 91 CO 0.54 -1.43 2.06 -1.35 -0.33 0.00 0.00 177.00 176.48 1wfx h PRO 92 N -0.96 0.45 -5.48 5.54 0.11 -1.96 -3.43 132.00 126.27 1wfx h PRO 92 Ca -0.46 -0.03 -0.56 0.00 0.11 0.00 0.00 66.00 65.06 1wfx h PRO 92 Cb 1.24 -0.10 -0.31 0.00 0.11 0.00 0.00 31.00 31.95 1wfx h PRO 92 CO 0.57 0.32 -0.84 0.42 -0.21 0.00 0.00 178.00 178.26 1wfx s ILE 93 N -5.37 1.45 0.03 4.15 -1.09 -1.26 -0.62 121.20 118.49 1wfx s ILE 93 Ca -0.08 -0.75 0.04 0.00 -2.23 0.00 0.00 60.65 57.64 1wfx s ILE 93 Cb 0.17 -1.23 -0.02 0.00 -1.58 0.00 0.00 42.46 39.80 1wfx s ILE 93 CO 0.72 0.41 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.97 1wfx s LEU 94 N -0.14 2.16 0.29 2.97 1.43 -0.58 -4.88 118.68 119.92 1wfx s LEU 94 Ca 0.00 -0.42 0.06 0.00 -1.03 0.00 0.00 54.13 52.75 1wfx s LEU 94 Cb -0.10 -0.51 -0.02 0.00 0.03 0.00 0.00 46.19 45.59 1wfx s LEU 94 CO 0.01 0.01 0.39 -0.31 0.23 0.00 0.00 176.35 176.68 1wfx s TYR 95 N -0.81 3.25 -0.22 0.29 1.51 0.18 0.72 117.35 122.27 1wfx s TYR 95 Ca 0.00 -0.13 -0.09 0.00 -1.01 0.00 0.00 57.07 55.84 1wfx s TYR 95 Cb -0.07 -1.75 0.09 0.00 -0.11 0.00 0.00 41.96 40.11 1wfx s TYR 95 CO 0.01 0.24 0.48 -1.58 -1.11 0.00 0.00 175.55 173.59 1wfx s HIS 96 N -2.10 -0.87 0.42 2.71 2.46 -0.65 0.20 115.29 117.47 1wfx s HIS 96 Ca 0.39 1.66 -0.00 0.00 0.47 0.00 0.00 55.06 57.58 1wfx s HIS 96 Cb -0.09 0.41 -0.02 0.00 -0.13 0.00 0.00 32.58 32.75 1wfx s HIS 96 CO 0.29 -0.48 0.65 0.20 -2.47 0.00 0.00 174.74 172.93 1wfx s GLY 97 N 2.27 1.48 0.00 1.59 0.00 -1.25 -0.19 107.32 111.22 1wfx s GLY 97 Ca -0.05 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.73 1wfx s GLY 97 CO -0.14 -0.81 0.00 -0.37 0.00 0.00 0.00 173.10 171.78 1wfx n THR 98 N -2.01 0.00 -3.93 0.90 5.66 -0.75 -4.60 114.28 109.55 1wfx n THR 98 Ca -0.01 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.67 1wfx n THR 98 Cb 0.57 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.30 1wfx n THR 98 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1wfx s THR 99 N -2.21 5.31 0.40 1.09 -4.23 -1.26 -0.89 115.64 113.86 1wfx s THR 99 Ca 0.00 -0.33 0.09 0.00 -1.18 0.00 0.00 61.69 60.27 1wfx s THR 99 Cb 0.00 -3.54 0.29 0.00 1.34 0.00 0.00 72.50 70.60 1wfx s THR 99 CO 0.00 0.22 2.00 -0.33 -0.54 0.00 0.00 174.62 175.97 1wfx h GLU 100 N 3.43 0.55 0.00 3.99 5.08 -1.51 0.90 114.58 127.01 1wfx h GLU 100 Ca -0.47 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1wfx h GLU 100 Cb 1.17 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 1wfx h GLU 100 CO 0.72 0.36 -0.01 0.93 -1.00 0.00 0.00 179.01 180.01 1wfx h GLU 101 N 0.56 0.00 0.00 2.33 3.07 -1.89 -1.11 114.58 117.54 1wfx h GLU 101 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1wfx h GLU 101 Cb 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1wfx h GLU 101 CO -0.07 0.01 -0.31 0.00 -1.40 0.00 0.00 179.01 177.24 1wfx h ALA 102 N 1.99 0.83 -0.56 3.43 0.00 -1.21 -3.37 119.26 120.37 1wfx h ALA 102 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1wfx h ALA 102 Cb 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1wfx h ALA 102 CO 0.00 0.00 0.31 -0.07 0.00 0.00 0.00 179.25 179.49 1wfx h LEU 103 N 0.00 0.46 -0.36 0.00 3.38 -1.16 -1.39 115.31 116.23 1wfx h LEU 103 Ca 0.00 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1wfx h LEU 103 Cb 0.92 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.52 1wfx h LEU 103 CO 0.00 0.31 -0.23 -0.65 0.09 0.00 0.00 178.44 177.96 1wfx h PRO 104 N 0.59 -0.17 0.28 1.13 0.11 -1.74 -2.54 132.00 129.67 1wfx h PRO 104 Ca 0.24 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.35 1wfx h PRO 104 Cb 0.12 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1wfx h PRO 104 CO -0.15 -0.11 -0.14 1.25 -0.21 0.00 0.00 178.00 178.64 1wfx h LEU 105 N -0.18 -0.32 -3.30 2.35 5.85 -1.80 -3.22 115.31 114.69 1wfx h LEU 105 Ca 0.18 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1wfx h LEU 105 Cb 0.46 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1wfx h LEU 105 CO -0.47 -0.08 0.00 -0.38 -0.34 0.00 0.00 178.44 177.17 1wfx n ILE 106 N -5.17 0.00 0.00 4.05 5.41 -0.54 -0.24 119.36 122.87 1wfx n ILE 106 Ca -0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.65 1wfx n ILE 106 Cb 0.23 -0.45 0.00 0.00 -0.71 0.00 0.00 39.64 38.71 1wfx n ILE 106 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1wfx n GLU 108 N 1.18 0.00 0.05 0.38 -0.58 -1.22 0.33 120.64 120.78 1wfx n GLU 108 Ca 0.00 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.59 1wfx n GLU 108 Cb 0.00 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 30.73 1wfx n GLU 108 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wfx h ARG 109 N 0.00 0.19 0.00 3.49 3.08 -0.93 -3.45 114.38 116.76 1wfx h ARG 109 Ca 0.00 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1wfx h ARG 109 Cb 0.00 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1wfx h ARG 109 CO 0.00 1.02 0.00 0.41 -1.07 0.00 0.00 179.97 180.33 1wfx n GLY 110 N 1.65 -1.42 3.96 0.04 0.00 0.15 -4.34 105.19 105.23 1wfx n GLY 110 Ca -0.16 -2.08 -0.22 0.00 0.00 0.00 0.00 46.02 43.55 1wfx n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wfx s ILE 111 N 0.00 3.55 -0.16 -0.61 1.01 0.33 -4.33 121.20 121.00 1wfx s ILE 111 Ca 0.00 -0.53 -0.20 0.00 0.00 0.00 0.00 60.65 59.91 1wfx s ILE 111 Cb 0.00 -3.32 -0.18 0.00 0.01 0.00 0.00 42.46 38.97 1wfx s ILE 111 CO 0.00 -0.23 0.37 -0.09 0.00 0.00 0.00 174.94 174.99 1wfx h ARG 113 N 0.27 0.00 0.00 2.79 2.43 -1.90 -2.64 114.38 115.33 1wfx h ARG 113 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1wfx h ARG 113 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1wfx h ARG 113 CO 0.56 0.76 0.00 0.41 -1.51 0.00 0.00 179.97 180.19 1wfx n GLY 114 N 1.57 -0.76 0.08 2.80 0.00 -1.26 -3.96 105.19 103.67 1wfx n GLY 114 Ca -0.16 -1.20 -0.05 0.00 0.00 0.00 0.00 46.02 44.60 1wfx n GLY 114 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1wfx h ARG 115 N 0.00 0.00 -7.10 1.61 0.11 -1.98 -3.45 114.38 103.57 1wfx h ARG 115 Ca 0.00 0.00 -0.52 0.00 0.10 0.00 0.00 59.98 59.56 1wfx h ARG 115 Cb 0.00 0.00 0.11 0.00 1.11 0.00 0.00 29.97 31.19 1wfx h ARG 115 CO 0.00 0.81 0.46 1.03 0.10 0.00 0.00 179.97 182.37 1wfx s ARG 116 N -2.75 3.01 0.08 0.08 0.52 -1.25 -4.61 118.95 114.03 1wfx s ARG 116 Ca 0.01 1.77 -0.28 0.00 -0.52 0.00 0.00 55.73 56.71 1wfx s ARG 116 Cb 0.09 -1.94 -0.16 0.00 0.52 0.00 0.00 34.95 33.46 1wfx s ARG 116 CO 0.81 -1.16 1.68 -0.07 0.02 0.00 0.00 175.30 176.57 1wfx h LEU 117 N 0.87 -0.43 -9.83 2.53 3.38 -1.40 -3.45 115.31 106.99 1wfx h LEU 117 Ca -0.50 0.02 -0.58 0.00 0.09 0.00 0.00 57.88 56.91 1wfx h LEU 117 Cb 1.29 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 42.07 1wfx h LEU 117 CO 0.55 -0.29 -0.53 -0.54 0.09 0.00 0.00 178.44 177.73 1wfx s LYS 118 N -6.12 2.18 -0.11 1.13 1.02 -1.26 -4.90 119.74 111.68 1wfx s LYS 118 Ca -0.15 -1.86 -0.22 0.00 0.02 0.00 0.00 55.97 53.76 1wfx s LYS 118 Cb 0.05 -1.94 -0.03 0.00 -0.52 0.00 0.00 37.83 35.39 1wfx s LYS 118 CO 0.64 -0.07 0.64 0.08 -0.92 0.00 0.00 175.35 175.72 1wfx s VAL 119 N -2.60 5.06 -0.07 3.17 1.01 0.26 -4.92 120.40 122.31 1wfx s VAL 119 Ca 0.39 1.29 -0.10 0.00 0.00 0.00 0.00 61.98 63.56 1wfx s VAL 119 Cb 0.04 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 1wfx s VAL 119 CO 0.22 0.23 0.24 -1.00 0.00 0.00 0.00 175.10 174.78 1wfx s HIS 120 N 1.07 3.65 -0.02 5.22 0.09 -1.26 -1.55 115.29 122.48 1wfx s HIS 120 Ca 0.33 0.71 0.03 0.00 -0.00 0.00 0.00 55.06 56.13 1wfx s HIS 120 Cb -0.17 -2.08 -0.00 0.00 -0.00 0.00 0.00 32.58 30.33 1wfx s HIS 120 CO 0.14 0.70 -0.12 -0.51 -0.00 0.00 0.00 174.74 174.95 1wfx s LEU 121 N -1.03 1.90 0.08 0.89 1.43 0.49 -4.83 118.68 117.62 1wfx s LEU 121 Ca 0.18 -0.24 0.08 0.00 -1.03 0.00 0.00 54.13 53.12 1wfx s LEU 121 Cb -0.14 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 1wfx s LEU 121 CO 0.08 0.12 -0.16 0.28 0.23 0.00 0.00 176.35 176.90 1wfx s THR 122 N -0.02 2.98 -0.87 5.49 -1.32 0.13 -1.00 115.64 121.03 1wfx s THR 122 Ca -0.00 -1.32 0.25 0.00 -1.21 0.00 0.00 61.69 59.42 1wfx s THR 122 Cb -0.08 -2.34 0.07 0.00 -1.51 0.00 0.00 72.50 68.64 1wfx s THR 122 CO 0.00 0.19 1.48 -1.54 -2.21 0.00 0.00 174.62 172.55 1wfx n SER 123 N 1.05 0.50 -4.53 8.08 3.41 -0.56 0.49 113.62 122.05 1wfx n SER 123 Ca -0.15 0.03 -0.41 0.00 -0.26 0.00 0.00 58.87 58.08 1wfx n SER 123 Cb 0.52 0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 64.43 1wfx n SER 123 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wfx s SER 124 N -3.47 6.15 0.19 4.04 0.15 -1.26 -4.87 113.70 114.62 1wfx s SER 124 Ca 0.10 -0.33 -0.12 0.00 0.70 0.00 0.00 55.95 56.30 1wfx s SER 124 Cb 0.16 -2.18 0.16 0.00 -1.71 0.00 0.00 66.02 62.44 1wfx s SER 124 CO 0.68 -0.34 1.79 0.25 1.20 0.00 0.00 173.24 176.82 1wfx h LEU 125 N 8.71 0.40 -0.90 3.45 6.46 -1.98 -1.94 115.31 129.51 1wfx h LEU 125 Ca -0.30 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.55 1wfx h LEU 125 Cb 1.14 -0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.96 1wfx h LEU 125 CO 0.69 0.28 0.57 -0.08 -0.62 0.00 0.00 178.44 179.27 1wfx h GLU 126 N 0.54 1.01 -0.17 1.25 4.81 -1.99 -2.35 114.58 117.67 1wfx h GLU 126 Ca 0.24 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1wfx h GLU 126 Cb 0.14 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1wfx h GLU 126 CO -0.16 0.67 0.08 -0.44 -0.73 0.00 0.00 179.01 178.43 1wfx h ASP 127 N 1.04 0.22 -0.85 1.04 3.45 -1.79 -2.46 116.42 117.07 1wfx h ASP 127 Ca 0.39 -0.12 0.16 0.00 0.43 0.00 0.00 57.03 57.89 1wfx h ASP 127 Cb 0.15 -0.06 -0.06 0.00 -0.56 0.00 0.00 39.33 38.80 1wfx h ASP 127 CO -0.17 0.28 0.56 0.00 -1.57 0.00 0.00 179.24 178.34 1wfx h ALA 128 N 0.95 2.02 0.14 3.45 0.00 -0.91 0.99 119.26 125.91 1wfx h ALA 128 Ca 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1wfx h ALA 128 Cb 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1wfx h ALA 128 CO -0.01 -0.26 -0.07 0.28 0.00 0.00 0.00 179.25 179.19 1wfx h VAL 129 N 0.53 1.01 -0.18 0.00 2.07 -1.06 -0.85 116.25 117.77 1wfx h VAL 129 Ca 0.43 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1wfx h VAL 129 Cb 0.88 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1wfx h VAL 129 CO -0.17 0.21 0.08 0.28 0.02 0.00 0.00 177.57 177.98 1wfx h SER 130 N -0.65 0.21 0.06 0.57 0.02 -1.00 0.10 113.55 112.86 1wfx h SER 130 Ca -0.02 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1wfx h SER 130 Cb 0.49 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1wfx h SER 130 CO 0.03 0.20 -0.03 0.74 -1.14 0.00 0.00 176.83 176.63 1wfx h THR 131 N 0.25 1.19 -0.79 -2.27 2.02 -0.74 -2.66 112.91 109.92 1wfx h THR 131 Ca 0.06 -0.89 0.04 0.00 0.77 0.00 0.00 66.41 66.40 1wfx h THR 131 Cb 0.04 1.77 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 1wfx h THR 131 CO -0.01 0.22 0.49 1.23 0.37 0.00 0.00 175.52 177.82 1wfx h GLY 132 N -0.48 1.15 2.00 2.16 0.00 -0.52 -0.52 103.07 106.86 1wfx h GLY 132 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1wfx h GLY 132 CO 0.01 0.28 0.00 -2.13 0.00 0.00 0.00 176.54 174.71 1wfx n ARG 133 N -4.63 0.09 0.11 4.80 0.63 0.30 -2.20 116.66 115.75 1wfx n ARG 133 Ca 0.10 0.57 -0.02 0.00 -0.92 0.00 0.00 57.85 57.57 1wfx n ARG 133 Cb 0.12 -1.78 0.03 0.00 0.45 0.00 0.00 32.46 31.29 1wfx n ARG 133 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wfx h ARG 134 N 0.00 0.00 -4.38 -0.14 2.47 -0.73 -3.43 114.38 108.18 1wfx h ARG 134 Ca 0.00 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.16 1wfx h ARG 134 Cb 0.02 0.00 -0.37 0.00 -1.65 0.00 0.00 29.97 27.97 1wfx h ARG 134 CO 0.00 0.75 -0.81 -3.38 0.56 0.00 0.00 179.97 177.09 1wfx s HIS 135 N -3.09 1.80 0.47 3.04 -3.43 -0.93 -5.05 115.29 108.10 1wfx s HIS 135 Ca 0.01 -1.01 0.00 0.00 -0.80 0.00 0.00 55.06 53.26 1wfx s HIS 135 Cb 0.10 -1.39 0.00 0.00 -1.43 0.00 0.00 32.58 29.86 1wfx s HIS 135 CO 0.78 -0.60 0.00 0.41 -2.00 0.00 0.00 174.74 173.33 1wfx n GLY 136 N 4.86 -2.79 3.72 -1.38 0.00 -1.26 -4.65 105.19 103.69 1wfx n GLY 136 Ca -0.14 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 1wfx n GLY 136 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wfx s ASN 137 N -6.95 4.04 -0.14 1.61 0.01 -1.26 -4.56 114.94 107.68 1wfx s ASN 137 Ca 0.00 -1.57 -0.01 0.00 -0.71 0.00 0.00 52.86 50.57 1wfx s ASN 137 Cb 0.00 0.26 -0.01 0.00 0.41 0.00 0.00 41.25 41.91 1wfx s ASN 137 CO 0.00 -0.74 0.13 0.18 -1.51 0.00 0.00 177.10 175.16 1wfx n LEU 138 N -1.18 -2.51 -4.75 0.60 4.77 -1.26 -4.57 117.00 108.11 1wfx n LEU 138 Ca -0.15 -0.10 -0.40 0.00 -0.03 0.00 0.00 56.01 55.34 1wfx n LEU 138 Cb 0.67 -0.88 0.03 0.00 -2.33 0.00 0.00 43.42 40.91 1wfx n LEU 138 CO 0.41 0.01 1.02 0.52 -1.33 0.00 0.00 177.39 178.03 1wfx n VAL 139 N -1.74 3.16 -3.75 4.08 0.31 -1.26 -1.51 118.33 117.63 1wfx n VAL 139 Ca -0.01 -0.50 -0.27 0.00 -0.01 0.00 0.00 64.34 63.55 1wfx n VAL 139 Cb 0.52 -1.75 -0.17 0.00 -0.91 0.00 0.00 33.84 31.53 1wfx n VAL 139 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wfx s ALA 140 N -1.23 0.95 -0.14 3.52 0.00 -0.07 -1.90 121.76 122.90 1wfx s ALA 140 Ca 0.65 -0.58 -0.14 0.00 0.00 0.00 0.00 51.96 51.89 1wfx s ALA 140 Cb -0.44 -1.09 -0.05 0.00 0.00 0.00 0.00 23.12 21.55 1wfx s ALA 140 CO 0.54 -1.01 0.31 0.08 0.00 0.00 0.00 175.76 175.68 1wfx s VAL 141 N 1.88 5.28 -0.08 0.00 1.01 -0.98 -1.80 120.40 125.70 1wfx s VAL 141 Ca 0.00 0.59 -0.01 0.00 0.00 0.00 0.00 61.98 62.57 1wfx s VAL 141 Cb -0.16 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1wfx s VAL 141 CO -0.07 0.42 -0.03 -0.76 0.00 0.00 0.00 175.10 174.66 1wfx s LEU 142 N 0.21 3.41 -0.24 3.92 1.02 0.73 -1.20 118.68 126.54 1wfx s LEU 142 Ca 0.18 0.07 -0.15 0.00 0.02 0.00 0.00 54.13 54.25 1wfx s LEU 142 Cb -0.13 -1.77 -0.04 0.00 0.02 0.00 0.00 46.19 44.27 1wfx s LEU 142 CO 0.05 0.37 0.37 -0.76 0.02 0.00 0.00 176.35 176.41 1wfx s LEU 143 N -0.82 4.09 -0.23 1.79 1.02 0.19 -1.64 118.68 123.08 1wfx s LEU 143 Ca 0.13 0.38 -0.08 0.00 0.02 0.00 0.00 54.13 54.57 1wfx s LEU 143 Cb -0.11 -2.45 -0.04 0.00 0.02 0.00 0.00 46.19 43.61 1wfx s LEU 143 CO 0.02 -0.13 0.09 -0.69 0.02 0.00 0.00 176.35 175.67 1wfx s VAL 144 N 1.69 4.76 -0.53 -1.59 1.01 0.22 -0.60 120.40 125.35 1wfx s VAL 144 Ca 0.16 -0.03 -0.28 0.00 0.00 0.00 0.00 61.98 61.83 1wfx s VAL 144 Cb -0.15 -3.20 0.03 0.00 0.00 0.00 0.00 36.38 33.06 1wfx s VAL 144 CO 0.09 0.37 1.16 -0.62 0.00 0.00 0.00 175.10 176.09 1wfx s ASP 145 N 1.10 6.52 0.09 3.32 -1.08 0.71 -1.52 116.67 125.80 1wfx s ASP 145 Ca 0.05 0.24 -0.23 0.00 -0.52 0.00 0.00 52.55 52.10 1wfx s ASP 145 Cb -0.14 -2.55 -0.14 0.00 -1.46 0.00 0.00 42.92 38.63 1wfx s ASP 145 CO 0.04 -1.37 1.72 0.58 0.52 0.00 0.00 175.17 176.66 1wfx h VAL 146 N 6.19 1.02 -0.58 1.11 2.07 -1.13 -2.84 116.25 122.09 1wfx h VAL 146 Ca -0.24 -0.06 0.11 0.00 0.82 0.00 0.00 66.70 67.33 1wfx h VAL 146 Cb 1.06 1.03 -0.09 0.00 -1.52 0.00 0.00 31.29 31.77 1wfx h VAL 146 CO 1.16 0.02 0.05 -0.33 0.02 0.00 0.00 177.57 178.48 1wfx h GLU 147 N 0.00 0.16 -0.89 1.57 3.07 -1.89 0.39 114.58 116.99 1wfx h GLU 147 Ca 0.01 -0.01 0.19 0.00 -0.50 0.00 0.00 59.36 59.05 1wfx h GLU 147 Cb 0.02 -0.04 -0.11 0.00 -0.84 0.00 0.00 28.75 27.78 1wfx h GLU 147 CO -0.00 0.11 0.44 0.00 -1.40 0.00 0.00 179.01 178.16 1wfx h LEU 149 N 0.52 -0.13 -1.27 0.00 3.38 -0.07 -1.89 115.31 115.84 1wfx h LEU 149 Ca 0.53 -0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.51 1wfx h LEU 149 Cb 0.91 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.64 1wfx h LEU 149 CO -0.45 0.02 0.55 0.03 0.09 0.00 0.00 178.44 178.68 1wfx h ARG 150 N -0.28 0.76 -0.12 1.13 3.08 0.41 0.09 114.38 119.45 1wfx h ARG 150 Ca -0.02 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.85 1wfx h ARG 150 Cb 0.23 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1wfx h ARG 150 CO 0.03 0.50 -0.53 0.00 -1.07 0.00 0.00 179.97 178.90 1wfx h ARG 151 N 0.78 0.33 0.00 0.04 3.08 -0.89 -0.03 114.38 117.69 1wfx h ARG 151 Ca 0.40 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1wfx h ARG 151 Cb 0.49 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1wfx h ARG 151 CO -0.17 0.78 0.00 0.54 -1.07 0.00 0.00 179.97 180.05 1wfx n ARG 152 N -3.94 0.37 -0.13 0.04 5.12 -0.05 -4.81 116.66 113.26 1wfx n ARG 152 Ca -0.02 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 1wfx n ARG 152 Cb 0.57 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.37 1wfx n ARG 152 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wfx n GLY 153 N -0.05 2.24 3.67 -0.13 0.00 -0.02 -5.00 105.19 105.90 1wfx n GLY 153 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1wfx n GLY 153 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wfx s LEU 154 N 0.00 4.30 0.32 0.99 1.43 -0.81 -4.93 118.68 119.97 1wfx s LEU 154 Ca 0.00 2.11 -0.27 0.00 -1.03 0.00 0.00 54.13 54.94 1wfx s LEU 154 Cb 0.00 -3.55 -0.10 0.00 0.03 0.00 0.00 46.19 42.58 1wfx s LEU 154 CO 0.00 -0.82 0.97 -1.59 0.23 0.00 0.00 176.35 175.14 1wfx s LYS 155 N 3.26 4.57 -0.28 1.70 -2.85 -1.26 -3.78 119.74 121.09 1wfx s LYS 155 Ca 0.66 1.41 0.01 0.00 -1.00 0.00 0.00 55.97 57.06 1wfx s LYS 155 Cb -0.31 -2.87 0.06 0.00 -2.06 0.00 0.00 37.83 32.65 1wfx s LYS 155 CO 0.26 0.25 -0.06 0.08 0.10 0.00 0.00 175.35 175.98 1wfx s VAL 156 N -1.52 2.52 0.00 1.79 1.01 -1.26 -4.45 120.40 118.49 1wfx s VAL 156 Ca 0.49 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1wfx s VAL 156 Cb -0.21 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1wfx s VAL 156 CO 0.27 -0.08 0.05 -1.61 0.00 0.00 0.00 175.10 173.73 1wfx s GLU 157 N 1.16 2.96 0.39 2.72 2.02 -0.82 -4.89 118.70 122.24 1wfx s GLU 157 Ca -0.07 -0.54 0.03 0.00 0.02 0.00 0.00 54.97 54.41 1wfx s GLU 157 Cb -0.20 -2.79 -0.01 0.00 0.10 0.00 0.00 34.13 31.24 1wfx s GLU 157 CO -0.03 0.63 0.58 0.50 0.02 0.00 0.00 175.26 176.96 1wfx s ARG 158 N -1.73 3.13 1.11 1.61 3.52 -1.26 -1.25 118.95 124.07 1wfx s ARG 158 Ca 0.22 -0.67 -0.15 0.00 -0.13 0.00 0.00 55.73 55.00 1wfx s ARG 158 Cb -0.12 -2.67 0.16 0.00 -1.56 0.00 0.00 34.95 30.76 1wfx s ARG 158 CO 0.13 -0.10 0.46 -1.13 -0.81 0.00 0.00 175.30 173.85 1wfx n SER 160 N -1.88 -1.97 -0.34 -2.12 3.41 -0.94 0.14 113.62 109.92 1wfx n SER 160 Ca -0.00 -0.04 0.32 0.00 -0.26 0.00 0.00 58.87 58.88 1wfx n SER 160 Cb 0.58 -1.12 0.59 0.00 -0.26 0.00 0.00 64.21 63.99 1wfx n SER 160 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1wfx h LYS 161 N -2.20 0.04 0.00 4.33 3.64 -1.90 -2.47 116.57 118.01 1wfx h LYS 161 Ca -0.54 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1wfx h LYS 161 Cb 1.34 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1wfx h LYS 161 CO 0.41 0.03 0.00 0.25 -2.27 0.00 0.00 179.45 177.87 1wfx n THR 162 N -5.18 0.00 -4.12 1.00 -2.24 -1.26 -4.97 114.28 97.50 1wfx n THR 162 Ca 0.37 -0.50 -0.35 0.00 -2.27 0.00 0.00 64.05 61.31 1wfx n THR 162 Cb 1.28 1.00 -0.12 0.00 -2.10 0.00 0.00 70.33 70.39 1wfx n THR 162 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1wfx s VAL 163 N -0.52 4.08 0.24 2.28 1.01 -0.93 -1.50 120.40 125.06 1wfx s VAL 163 Ca 0.00 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 61.77 1wfx s VAL 163 Cb 0.00 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 1wfx s VAL 163 CO 0.00 0.44 -0.08 -0.31 0.00 0.00 0.00 175.10 175.15 1wfx s TYR 164 N 0.80 1.80 0.07 5.22 1.51 -0.17 -2.22 117.35 124.36 1wfx s TYR 164 Ca 0.01 -0.69 0.01 0.00 -1.01 0.00 0.00 57.07 55.38 1wfx s TYR 164 Cb -0.14 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 1wfx s TYR 164 CO 0.02 0.26 -0.05 0.95 -1.11 0.00 0.00 175.55 175.62 1wfx s THR 165 N -3.06 0.45 0.06 -0.71 -4.23 -0.38 -0.38 115.64 107.39 1wfx s THR 165 Ca 0.27 -1.74 -0.20 0.00 -1.18 0.00 0.00 61.69 58.83 1wfx s THR 165 Cb 0.02 -1.43 0.04 0.00 1.34 0.00 0.00 72.50 72.48 1wfx s THR 165 CO 0.09 -0.86 0.47 0.68 -0.54 0.00 0.00 174.62 174.46 1wfx s VAL 166 N -3.41 0.04 0.15 2.29 -7.23 -0.59 -1.94 120.40 109.72 1wfx s VAL 166 Ca 0.06 -0.36 -0.16 0.00 -1.81 0.00 0.00 61.98 59.71 1wfx s VAL 166 Cb 0.04 -1.00 0.02 0.00 0.56 0.00 0.00 36.38 36.01 1wfx s VAL 166 CO -0.06 -0.20 1.75 0.44 -0.31 0.00 0.00 175.10 176.72 1wfx h ASP 167 N 2.77 0.11 -4.98 4.85 3.32 -1.86 0.76 116.42 121.39 1wfx h ASP 167 Ca -0.32 0.04 0.02 0.00 0.02 0.00 0.00 57.03 56.80 1wfx h ASP 167 Cb 1.22 0.04 -0.11 0.00 0.22 0.00 0.00 39.33 40.70 1wfx h ASP 167 CO 0.43 0.10 0.26 -1.66 -1.72 0.00 0.00 179.24 176.64 1wfx s TRP 168 N -6.16 -0.42 -0.28 4.55 1.48 -1.26 -4.06 118.94 112.79 1wfx s TRP 168 Ca -0.13 0.16 -0.04 0.00 -1.06 0.00 0.00 56.10 55.03 1wfx s TRP 168 Cb 0.12 0.60 0.02 0.00 -1.16 0.00 0.00 33.47 33.05 1wfx s TRP 168 CO 0.71 -0.91 0.01 0.08 -4.06 0.00 0.00 176.95 172.78 1wfx s VAL 169 N -3.70 3.37 0.39 -0.66 1.01 -1.00 -4.97 120.40 114.84 1wfx s VAL 169 Ca 0.04 -0.93 -0.27 0.00 0.00 0.00 0.00 61.98 60.82 1wfx s VAL 169 Cb -0.02 -2.76 -0.09 0.00 0.00 0.00 0.00 36.38 33.51 1wfx s VAL 169 CO -0.07 0.10 1.30 -2.84 0.00 0.00 0.00 175.10 173.58 1wfx s PRO 170 N 1.39 4.07 0.38 2.72 0.02 -1.26 -0.51 135.00 141.81 1wfx s PRO 170 Ca 0.00 2.15 0.17 0.00 0.02 0.00 0.00 61.00 63.35 1wfx s PRO 170 Cb -0.17 -2.83 1.06 0.00 0.02 0.00 0.00 34.50 32.58 1wfx s PRO 170 CO -0.01 -0.40 1.75 -1.35 -0.33 0.00 0.00 177.00 176.66 1wfx h PRO 171 N 2.85 0.41 0.00 5.54 0.11 -1.83 0.29 132.00 139.38 1wfx h PRO 171 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1wfx h PRO 171 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1wfx h PRO 171 CO 0.63 0.27 0.00 0.39 -0.21 0.00 0.00 178.00 179.09 1wfx n GLU 172 N -4.70 0.16 -0.14 1.05 4.71 -1.26 -2.49 120.64 117.97 1wfx n GLU 172 Ca 0.26 0.14 0.11 0.00 -0.01 0.00 0.00 57.16 57.67 1wfx n GLU 172 Cb 0.87 -1.50 0.18 0.00 -1.01 0.00 0.00 31.44 29.98 1wfx n GLU 172 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wfx s ILE 174 N -1.55 4.79 -0.41 0.00 1.01 -1.04 -0.21 121.20 123.80 1wfx s ILE 174 Ca 0.34 0.78 0.23 0.00 0.00 0.00 0.00 60.65 62.01 1wfx s ILE 174 Cb 0.21 -4.16 -0.08 0.00 0.01 0.00 0.00 42.46 38.44 1wfx s ILE 174 CO 0.30 -0.38 1.00 0.00 0.00 0.00 0.00 174.94 175.85 1wfx n ALA 175 N 6.27 2.95 -3.63 9.38 0.00 0.23 -4.94 120.51 130.77 1wfx n ALA 175 Ca 0.01 -0.34 -0.10 0.00 0.00 0.00 0.00 53.44 53.02 1wfx n ALA 175 Cb 0.48 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 1wfx n ALA 175 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1wfx s GLU 176 N -3.29 0.57 -0.13 0.00 2.12 -1.19 -4.96 118.70 111.82 1wfx s GLU 176 Ca 0.01 0.61 0.02 0.00 0.36 0.00 0.00 54.97 55.97 1wfx s GLU 176 Cb 0.12 0.28 0.01 0.00 0.26 0.00 0.00 34.13 34.80 1wfx s GLU 176 CO 0.80 -0.08 -0.18 0.08 -0.54 0.00 0.00 175.26 175.34 1wfx s VAL 177 N 0.11 1.74 -0.24 3.70 1.01 -1.26 0.53 120.40 125.99 1wfx s VAL 177 Ca 0.02 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1wfx s VAL 177 Cb -0.05 -1.57 0.05 0.00 0.00 0.00 0.00 36.38 34.82 1wfx s VAL 177 CO -0.04 0.49 -0.13 -0.13 0.00 0.00 0.00 175.10 175.29 1wfx s ARG 178 N 0.97 2.39 -0.20 2.72 0.52 -0.34 -5.01 118.95 120.00 1wfx s ARG 178 Ca -0.05 -1.23 -0.26 0.00 -0.52 0.00 0.00 55.73 53.67 1wfx s ARG 178 Cb -0.15 -2.81 -0.01 0.00 0.52 0.00 0.00 34.95 32.50 1wfx s ARG 178 CO -0.03 -0.49 0.86 1.03 0.02 0.00 0.00 175.30 176.69 1wfx s ARG 179 N 1.15 4.26 0.54 3.54 0.52 -1.26 -2.32 118.95 125.38 1wfx s ARG 179 Ca -0.06 1.05 0.36 0.00 -0.52 0.00 0.00 55.73 56.57 1wfx s ARG 179 Cb -0.18 -3.60 1.78 0.00 0.52 0.00 0.00 34.95 33.46 1wfx s ARG 179 CO -0.07 -0.42 2.09 1.05 0.02 0.00 0.00 175.30 177.97 1wfx h GLU 180 N 7.44 0.00 0.00 3.54 4.11 -1.70 -1.70 114.58 126.27 1wfx h GLU 180 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.17 1wfx h GLU 180 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1wfx h GLU 180 CO 0.87 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.82 1wfx n SER 181 N -2.89 0.83 -0.82 3.06 3.41 -1.26 -5.02 113.62 110.93 1wfx n SER 181 Ca -0.01 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 1wfx n SER 181 Cb 0.16 -0.81 0.22 0.00 -0.26 0.00 0.00 64.21 63.52 1wfx n SER 181 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06