#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wyh h LEU -8 N 0.00 0.00 -2.41 0.99 5.85 -2.01 -3.05 115.31 114.68 2wyh h LEU -8 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2wyh h LEU -8 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 2wyh h LEU -8 CO 0.00 0.35 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.09 2wyh h GLU -7 N 0.00 0.00 -0.08 1.25 3.07 -2.01 -1.75 114.58 115.06 2wyh h GLU -7 Ca -0.00 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.63 2wyh h GLU -7 Cb 1.03 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.94 2wyh h GLU -7 CO 0.05 0.03 -0.85 -0.39 -1.40 0.00 0.00 179.01 176.44 2wyh h VAL -6 N 0.00 1.31 0.00 3.13 -1.51 -1.97 -2.86 116.25 114.35 2wyh h VAL -6 Ca -0.00 -2.14 0.00 0.00 -1.23 0.00 0.00 66.70 63.33 2wyh h VAL -6 Cb 0.13 2.16 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 2wyh h VAL -6 CO 0.00 0.66 -0.80 0.00 -1.23 0.00 0.00 177.57 176.21 2wyh n LEU -5 N -3.87 0.67 -3.43 4.19 -0.00 -1.14 -4.54 117.00 108.88 2wyh n LEU -5 Ca -0.08 -0.14 -0.26 0.00 -0.00 0.00 0.00 56.01 55.53 2wyh n LEU -5 Cb 0.78 -0.13 -0.09 0.00 -0.00 0.00 0.00 43.42 43.98 2wyh n LEU -5 CO 0.52 0.13 -0.21 0.49 -0.00 0.00 0.00 177.39 178.33 2wyh n PHE -4 N -1.64 0.62 -2.36 1.47 3.72 -0.67 -5.12 117.46 113.48 2wyh n PHE -4 Ca 0.04 -3.68 -0.41 0.00 -0.05 0.00 0.00 57.45 53.35 2wyh n PHE -4 Cb 0.36 -0.19 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 2wyh n PHE -4 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2wyh s GLN -3 N -0.94 4.48 0.45 -1.08 1.11 -1.08 -4.50 119.66 118.10 2wyh s GLN -3 Ca 0.33 1.88 0.07 0.00 0.01 0.00 0.00 55.36 57.65 2wyh s GLN -3 Cb 0.08 -3.24 0.07 0.00 -1.01 0.00 0.00 33.01 28.91 2wyh s GLN -3 CO -0.14 -0.11 0.57 0.41 0.01 0.00 0.00 175.29 176.03 2wyh n GLY -2 N 2.28 2.12 3.78 3.09 0.00 -1.26 -5.08 105.19 110.12 2wyh n GLY -2 Ca 0.05 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 2wyh n GLY -2 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wyh n PRO -1 N -1.91 2.71 -2.12 1.61 -0.04 -1.26 -4.96 135.00 129.03 2wyh n PRO -1 Ca 0.10 0.95 -0.42 0.00 -0.04 0.00 0.00 63.50 64.09 2wyh n PRO -1 Cb 0.48 -2.69 -0.03 0.00 -0.04 0.00 0.00 33.50 31.22 2wyh n PRO -1 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wyh s ALA 0 N -1.06 3.62 0.03 0.55 0.00 -1.26 -5.01 121.76 118.63 2wyh s ALA 0 Ca 0.54 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.57 2wyh s ALA 0 Cb -0.47 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.01 2wyh s ALA 0 CO 0.63 -0.84 0.11 -1.64 0.00 0.00 0.00 175.76 174.03 2wyh s MET 1 N 1.91 3.13 0.59 0.00 -1.94 -1.26 -5.11 119.30 116.62 2wyh s MET 1 Ca 0.67 -0.51 -0.13 0.00 -1.71 0.00 0.00 55.69 54.01 2wyh s MET 1 Cb -0.36 -2.89 -0.05 0.00 2.01 0.00 0.00 34.83 33.55 2wyh s MET 1 CO 0.29 0.62 1.02 0.00 -0.01 0.00 0.00 175.02 176.95 2wyh s ALA 2 N -1.31 3.04 0.18 3.03 0.00 -1.26 -5.10 121.76 120.34 2wyh s ALA 2 Ca 0.27 0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.33 2wyh s ALA 2 Cb -0.12 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 2wyh s ALA 2 CO 0.19 -0.59 -0.12 0.95 0.00 0.00 0.00 175.76 176.20 2wyh s THR 3 N -2.95 1.46 0.11 0.00 -4.23 -1.26 -4.97 115.64 103.80 2wyh s THR 3 Ca 0.57 -2.14 0.02 0.00 -1.18 0.00 0.00 61.69 58.96 2wyh s THR 3 Cb -0.11 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 2wyh s THR 3 CO 0.46 -0.63 0.19 -0.54 -0.54 0.00 0.00 174.62 173.55 2wyh s LYS 4 N -3.70 3.23 -0.22 3.99 -0.14 -0.67 -4.92 119.74 117.30 2wyh s LYS 4 Ca 0.21 -0.62 -0.03 0.00 -1.36 0.00 0.00 55.97 54.18 2wyh s LYS 4 Cb 0.01 -2.88 0.00 0.00 -1.68 0.00 0.00 37.83 33.28 2wyh s LYS 4 CO 0.04 0.55 -0.08 0.21 -0.76 0.00 0.00 175.35 175.32 2wyh s LYS 5 N -2.80 3.21 -0.47 1.68 2.20 0.01 -0.45 119.74 123.12 2wyh s LYS 5 Ca 0.33 -0.72 -0.13 0.00 -0.36 0.00 0.00 55.97 55.08 2wyh s LYS 5 Cb -0.12 -2.91 0.09 0.00 -1.51 0.00 0.00 37.83 33.38 2wyh s LYS 5 CO 0.26 -0.23 0.38 0.08 -0.36 0.00 0.00 175.35 175.48 2wyh s VAL 6 N 1.42 4.87 -0.46 4.02 1.01 0.67 -0.05 120.40 131.88 2wyh s VAL 6 Ca 0.05 -1.33 -0.25 0.00 0.00 0.00 0.00 61.98 60.45 2wyh s VAL 6 Cb -0.14 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.26 2wyh s VAL 6 CO -0.06 -0.65 0.93 -1.00 0.00 0.00 0.00 175.10 174.32 2wyh s HIS 7 N 1.55 2.93 -0.37 5.22 3.76 0.54 -1.20 115.29 127.72 2wyh s HIS 7 Ca 0.04 0.41 -0.17 0.00 -0.15 0.00 0.00 55.06 55.18 2wyh s HIS 7 Cb -0.25 -3.96 0.00 0.00 1.11 0.00 0.00 32.58 29.48 2wyh s HIS 7 CO 0.04 -1.09 0.46 0.42 -0.85 0.00 0.00 174.74 173.72 2wyh s ILE 8 N 3.75 5.06 -0.34 0.60 -1.09 -0.09 -0.75 121.20 128.34 2wyh s ILE 8 Ca 0.37 0.08 -0.07 0.00 -2.23 0.00 0.00 60.65 58.81 2wyh s ILE 8 Cb -0.10 -3.96 0.04 0.00 -1.58 0.00 0.00 42.46 36.86 2wyh s ILE 8 CO 0.26 -0.26 0.11 -0.63 -1.23 0.00 0.00 174.94 173.19 2wyh s ILE 9 N 2.26 3.86 0.16 2.92 1.01 -0.38 -0.29 121.20 130.73 2wyh s ILE 9 Ca 0.15 -1.07 -0.30 0.00 0.00 0.00 0.00 60.65 59.44 2wyh s ILE 9 Cb -0.16 -3.16 -0.07 0.00 0.01 0.00 0.00 42.46 39.08 2wyh s ILE 9 CO 0.13 -0.16 1.04 -0.44 0.00 0.00 0.00 174.94 175.52 2wyh s SER 10 N 1.42 7.37 0.31 3.58 0.01 -1.26 -0.40 113.70 124.74 2wyh s SER 10 Ca -0.01 1.98 -0.19 0.00 1.31 0.00 0.00 55.95 59.04 2wyh s SER 10 Cb -0.19 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.47 2wyh s SER 10 CO 0.03 -0.14 0.72 -1.38 0.41 0.00 0.00 173.24 172.88 2wyh s HIS 11 N -0.22 -0.06 -0.03 2.43 -0.00 -0.55 -0.21 115.29 116.65 2wyh s HIS 11 Ca 0.48 -0.45 0.00 0.00 -0.00 0.00 0.00 55.06 55.10 2wyh s HIS 11 Cb -0.27 0.70 0.03 0.00 -0.00 0.00 0.00 32.58 33.04 2wyh s HIS 11 CO 0.33 -1.31 0.00 0.45 -0.00 0.00 0.00 174.74 174.22 2wyh s SER 12 N -2.97 0.33 -0.58 7.38 0.15 -1.25 -4.10 113.70 112.66 2wyh s SER 12 Ca 0.13 -0.01 -0.24 0.00 0.70 0.00 0.00 55.95 56.53 2wyh s SER 12 Cb -0.05 -0.18 0.05 0.00 -1.71 0.00 0.00 66.02 64.13 2wyh s SER 12 CO 0.08 -0.10 0.95 -2.28 1.20 0.00 0.00 173.24 173.10 2wyh s HIS 13 N 0.95 2.75 -0.92 3.44 2.46 -0.58 -4.22 115.29 119.17 2wyh s HIS 13 Ca -0.09 -0.14 -0.05 0.00 0.47 0.00 0.00 55.06 55.25 2wyh s HIS 13 Cb -0.13 -4.13 0.23 0.00 -0.13 0.00 0.00 32.58 28.42 2wyh s HIS 13 CO -0.02 -1.43 0.83 -0.46 -2.47 0.00 0.00 174.74 171.19 2wyh s TRP 14 N 4.01 3.93 -0.05 3.88 -0.11 -1.26 -0.51 118.94 128.84 2wyh s TRP 14 Ca 0.28 -2.81 -0.34 0.00 1.22 0.00 0.00 56.10 54.46 2wyh s TRP 14 Cb -0.13 -3.46 -0.12 0.00 -1.50 0.00 0.00 33.47 28.26 2wyh s TRP 14 CO 0.17 -0.83 1.83 -0.25 -4.62 0.00 0.00 176.95 173.25 2wyh n ASP 15 N 2.71 3.38 -0.24 5.86 8.00 -1.26 -4.84 116.55 130.17 2wyh n ASP 15 Ca 0.20 0.99 0.00 0.00 0.71 0.00 0.00 54.79 56.69 2wyh n ASP 15 Cb 0.39 -1.38 0.22 0.00 -0.02 0.00 0.00 41.12 40.33 2wyh n ASP 15 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2wyh h ARG 16 N 8.64 1.04 -2.29 -1.24 2.43 -1.98 -3.43 114.38 117.55 2wyh h ARG 16 Ca -0.48 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 58.55 2wyh h ARG 16 Cb 1.27 -0.23 -0.22 0.00 -0.42 0.00 0.00 29.97 30.37 2wyh h ARG 16 CO 0.94 0.69 -0.02 -1.83 -1.51 0.00 0.00 179.97 178.24 2wyh s GLU 17 N -5.88 0.70 0.00 0.20 -1.05 -1.26 -4.63 118.70 106.78 2wyh s GLU 17 Ca -0.11 0.84 0.00 0.00 -0.15 0.00 0.00 54.97 55.54 2wyh s GLU 17 Cb 0.18 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 34.20 2wyh s GLU 17 CO 0.79 -0.08 0.00 1.87 0.95 0.00 0.00 175.26 178.78 2wyh n TRP 18 N 2.79 0.00 1.37 4.83 -0.00 -1.26 -4.56 117.44 120.61 2wyh n TRP 18 Ca -0.14 0.00 0.15 0.00 -0.00 0.00 0.00 57.50 57.51 2wyh n TRP 18 Cb 0.56 0.00 0.74 0.00 -0.00 0.00 0.00 31.31 32.61 2wyh n TRP 18 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 177.69 180.17 2wyh n TYR 19 N 0.00 0.00 -4.40 5.87 0.18 -1.26 -1.88 117.16 115.67 2wyh n TYR 19 Ca 0.00 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.58 2wyh n TYR 19 Cb 0.00 -0.31 -0.10 0.00 -0.38 0.00 0.00 39.34 38.55 2wyh n TYR 19 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 2wyh s MET 20 N -2.61 1.51 0.72 -3.48 -1.94 -1.26 -4.77 119.30 107.46 2wyh s MET 20 Ca 0.27 -1.78 -0.15 0.00 -1.71 0.00 0.00 55.69 52.32 2wyh s MET 20 Cb 0.20 -0.93 0.04 0.00 2.01 0.00 0.00 34.83 36.14 2wyh s MET 20 CO 0.46 -0.05 1.17 0.00 -0.01 0.00 0.00 175.02 176.59 2wyh s ALA 21 N -3.20 2.18 0.23 3.03 0.00 -1.26 -4.82 121.76 117.92 2wyh s ALA 21 Ca 0.30 0.76 -0.15 0.00 0.00 0.00 0.00 51.96 52.87 2wyh s ALA 21 Cb 0.05 -3.42 0.28 0.00 0.00 0.00 0.00 23.12 20.03 2wyh s ALA 21 CO 0.12 -1.76 1.57 -0.92 0.00 0.00 0.00 175.76 174.76 2wyh h TYR 22 N -0.32 -0.81 -0.14 0.00 3.20 -1.93 -1.80 116.97 115.17 2wyh h TYR 22 Ca -0.47 0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.48 2wyh h TYR 22 Cb 1.28 0.49 -0.01 0.00 1.54 0.00 0.00 36.73 40.03 2wyh h TYR 22 CO 0.50 -0.39 0.03 0.93 -1.64 0.00 0.00 178.16 177.58 2wyh h GLU 23 N -0.03 0.20 -0.61 1.82 4.39 -1.91 0.26 114.58 118.70 2wyh h GLU 23 Ca 0.36 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.95 2wyh h GLU 23 Cb 0.61 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 2wyh h GLU 23 CO -0.90 0.20 0.05 1.96 -1.16 0.00 0.00 179.01 179.15 2wyh h GLN 24 N 0.20 1.04 -0.25 2.33 4.20 -1.68 -1.08 115.11 119.87 2wyh h GLN 24 Ca 0.05 -0.31 -0.18 0.00 0.06 0.00 0.00 58.65 58.27 2wyh h GLN 24 Cb 0.10 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2wyh h GLN 24 CO -0.00 1.00 -0.55 0.45 -0.67 0.00 0.00 178.83 179.06 2wyh h HIS 25 N 0.94 1.04 -0.71 2.96 3.86 -1.17 -3.24 115.15 118.83 2wyh h HIS 25 Ca 0.18 -0.38 0.06 0.00 -1.16 0.00 0.00 60.37 59.06 2wyh h HIS 25 Cb 0.50 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 28.72 2wyh h HIS 25 CO 0.04 1.20 0.41 1.25 0.86 0.00 0.00 177.93 181.69 2wyh h HIS 26 N 0.58 0.76 -0.23 2.45 6.17 -0.35 0.08 115.15 124.61 2wyh h HIS 26 Ca 0.00 0.03 -0.07 0.00 0.71 0.00 0.00 60.37 61.04 2wyh h HIS 26 Cb 1.16 -0.24 -0.01 0.00 2.52 0.00 0.00 27.41 30.84 2wyh h HIS 26 CO 0.08 0.37 -0.17 0.52 0.71 0.00 0.00 177.93 179.44 2wyh h MET 27 N 0.76 0.39 0.00 5.26 2.86 -1.25 -1.70 114.93 121.24 2wyh h MET 27 Ca 0.32 -0.12 -0.12 0.00 -2.06 0.00 0.00 59.70 57.72 2wyh h MET 27 Cb 0.18 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 2wyh h MET 27 CO -0.18 0.55 -0.59 0.00 1.06 0.00 0.00 176.91 177.76 2wyh h ARG 28 N 0.36 0.00 -0.70 1.72 3.08 -1.36 -2.79 114.38 114.69 2wyh h ARG 28 Ca 0.07 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 2wyh h ARG 28 Cb 0.51 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 2wyh h ARG 28 CO 0.03 0.59 0.15 1.25 -1.07 0.00 0.00 179.97 180.92 2wyh h LEU 29 N 0.00 1.07 -0.48 3.04 5.85 -0.40 -1.20 115.31 123.20 2wyh h LEU 29 Ca -0.01 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.52 2wyh h LEU 29 Cb 1.24 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 2wyh h LEU 29 CO 0.08 1.03 0.23 0.40 -0.34 0.00 0.00 178.44 179.84 2wyh h ILE 30 N 1.06 0.95 -0.46 4.05 1.08 -1.13 -1.06 117.51 122.00 2wyh h ILE 30 Ca 0.22 -0.16 0.05 0.00 -0.39 0.00 0.00 64.86 64.58 2wyh h ILE 30 Cb 0.39 0.45 -0.05 0.00 -3.07 0.00 0.00 36.82 34.55 2wyh h ILE 30 CO 0.01 0.08 0.20 0.78 -0.69 0.00 0.00 178.15 178.53 2wyh h ASN 31 N 0.46 0.26 0.19 1.72 2.35 -1.23 0.04 115.58 119.37 2wyh h ASN 31 Ca 0.21 0.04 0.01 0.00 -0.55 0.00 0.00 56.30 56.00 2wyh h ASN 31 Cb 0.13 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 2wyh h ASN 31 CO -0.15 0.19 -0.20 0.25 -1.65 0.00 0.00 177.43 175.86 2wyh h LEU 32 N 0.40 -0.55 -0.72 1.61 5.85 -0.69 -0.67 115.31 120.54 2wyh h LEU 32 Ca 0.21 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.90 2wyh h LEU 32 Cb 0.16 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2wyh h LEU 32 CO -0.18 -0.30 0.09 0.40 -0.34 0.00 0.00 178.44 178.11 2wyh h ILE 33 N -0.44 1.26 -0.33 4.05 1.08 -1.09 -1.01 117.51 121.04 2wyh h ILE 33 Ca 0.00 -1.04 0.05 0.00 -0.39 0.00 0.00 64.86 63.49 2wyh h ILE 33 Cb 0.41 0.67 -0.05 0.00 -3.07 0.00 0.00 36.82 34.78 2wyh h ILE 33 CO -0.06 0.39 0.02 0.44 -0.69 0.00 0.00 178.15 178.25 2wyh h ASP 34 N 1.00 -0.09 -0.90 1.72 3.32 -0.82 0.03 116.42 120.69 2wyh h ASP 34 Ca 0.20 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 2wyh h ASP 34 Cb 0.45 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 2wyh h ASP 34 CO 0.01 -0.01 0.56 0.44 -1.72 0.00 0.00 179.24 178.53 2wyh h ASP 35 N 0.12 1.07 0.22 6.45 3.32 -0.83 -1.69 116.42 125.08 2wyh h ASP 35 Ca 0.16 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2wyh h ASP 35 Cb 0.20 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2wyh h ASP 35 CO -0.25 0.81 -0.11 -0.07 -1.72 0.00 0.00 179.24 177.90 2wyh h LEU 36 N 1.24 -0.25 -1.19 1.55 3.38 -0.46 0.27 115.31 119.84 2wyh h LEU 36 Ca 0.33 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.32 2wyh h LEU 36 Cb -0.08 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 2wyh h LEU 36 CO -0.06 -0.13 0.56 -0.07 0.09 0.00 0.00 178.44 178.83 2wyh h LEU 37 N -0.36 0.86 -0.32 1.67 3.38 -0.88 -1.04 115.31 118.62 2wyh h LEU 37 Ca -0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2wyh h LEU 37 Cb 0.28 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2wyh h LEU 37 CO 0.05 0.56 -0.03 -0.08 0.09 0.00 0.00 178.44 179.03 2wyh h GLU 38 N 0.98 0.59 -0.25 1.13 4.57 -1.12 -3.11 114.58 117.37 2wyh h GLU 38 Ca 0.37 -0.20 -0.08 0.00 -1.18 0.00 0.00 59.36 58.27 2wyh h GLU 38 Cb 0.19 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2wyh h GLU 38 CO -0.13 0.74 -0.19 -0.24 -1.18 0.00 0.00 179.01 178.00 2wyh h VAL 39 N 0.38 1.24 -0.04 0.32 3.04 -0.38 -2.06 116.25 118.76 2wyh h VAL 39 Ca 0.09 -1.13 -0.01 0.00 -1.01 0.00 0.00 66.70 64.64 2wyh h VAL 39 Cb 0.49 1.27 -0.00 0.00 -2.01 0.00 0.00 31.29 31.03 2wyh h VAL 39 CO 0.02 0.36 -0.03 -0.26 -1.01 0.00 0.00 177.57 176.65 2wyh h PHE 40 N 0.41 0.05 0.00 3.17 0.04 -1.19 0.34 116.94 119.76 2wyh h PHE 40 Ca 0.07 -0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.78 2wyh h PHE 40 Cb 0.57 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 2wyh h PHE 40 CO 0.02 0.09 -0.82 1.96 -0.60 0.00 0.00 178.31 178.95 2wyh h GLN 41 N 0.05 0.00 0.00 1.51 1.08 -1.32 -3.39 115.11 113.04 2wyh h GLN 41 Ca 0.01 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.13 2wyh h GLN 41 Cb 0.10 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 2wyh h GLN 41 CO 0.00 0.15 -1.76 0.25 -0.95 0.00 0.00 178.83 176.52 2wyh n THR 42 N -2.90 0.32 -3.89 -0.54 -2.24 -0.93 -4.89 114.28 99.21 2wyh n THR 42 Ca -0.01 -0.42 -0.30 0.00 -2.27 0.00 0.00 64.05 61.04 2wyh n THR 42 Cb 0.64 -0.11 -0.15 0.00 -2.10 0.00 0.00 70.33 68.61 2wyh n THR 42 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wyh s ASP 43 N -4.03 4.36 0.51 3.42 2.15 0.07 -4.98 116.67 118.18 2wyh s ASP 43 Ca -0.06 -1.84 0.34 0.00 0.43 0.00 0.00 52.55 51.43 2wyh s ASP 43 Cb 0.08 -1.26 1.64 0.00 -0.30 0.00 0.00 42.92 43.07 2wyh s ASP 43 CO 0.59 -0.38 2.03 1.55 -0.17 0.00 0.00 175.17 178.79 2wyh h PRO 44 N 7.85 0.00 -0.00 4.34 0.13 -1.85 -2.67 132.00 139.80 2wyh h PRO 44 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2wyh h PRO 44 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2wyh h PRO 44 CO 0.49 0.00 -0.49 -0.25 -0.23 0.00 0.00 178.00 177.51 2wyh n ASP 45 N -2.84 0.55 -4.59 1.44 8.00 -1.26 -4.78 116.55 113.06 2wyh n ASP 45 Ca -0.01 -0.31 -0.43 0.00 0.71 0.00 0.00 54.79 54.76 2wyh n ASP 45 Cb 0.18 0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 41.51 2wyh n ASP 45 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2wyh s PHE 46 N -2.97 2.27 -0.09 1.24 5.36 -1.01 -4.91 117.98 117.87 2wyh s PHE 46 Ca 0.12 0.63 -0.18 0.00 -0.96 0.00 0.00 56.93 56.54 2wyh s PHE 46 Cb 0.18 -4.30 -0.15 0.00 -0.34 0.00 0.00 43.02 38.41 2wyh s PHE 46 CO 0.69 -2.12 0.62 1.25 -1.46 0.00 0.00 175.22 174.21 2wyh h HIS 47 N 11.21 -0.08 -2.42 10.12 -0.00 -1.86 -3.48 115.15 128.64 2wyh h HIS 47 Ca -0.28 -0.00 0.17 0.00 -0.00 0.00 0.00 60.37 60.25 2wyh h HIS 47 Cb 1.11 0.03 -0.07 0.00 -0.00 0.00 0.00 27.41 28.47 2wyh h HIS 47 CO 0.98 0.44 0.46 -1.54 -0.00 0.00 0.00 177.93 178.27 2wyh s SER 48 N -5.75 -0.18 -0.03 3.26 1.04 -1.26 -4.27 113.70 106.51 2wyh s SER 48 Ca -0.12 -0.44 0.01 0.00 0.48 0.00 0.00 55.95 55.88 2wyh s SER 48 Cb -0.01 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.65 2wyh s SER 48 CO 0.43 -0.96 -0.01 0.12 0.98 0.00 0.00 173.24 173.80 2wyh s PHE 49 N -3.32 0.34 -0.41 5.02 5.36 0.30 -4.50 117.98 120.77 2wyh s PHE 49 Ca 0.12 -0.02 -0.22 0.00 -0.96 0.00 0.00 56.93 55.85 2wyh s PHE 49 Cb -0.02 -0.40 0.02 0.00 -0.34 0.00 0.00 43.02 42.28 2wyh s PHE 49 CO 0.03 -0.12 0.72 -1.58 -1.46 0.00 0.00 175.22 172.81 2wyh s HIS 50 N 0.89 3.07 -0.17 10.12 5.65 0.71 -0.85 115.29 134.71 2wyh s HIS 50 Ca -0.09 0.24 -0.05 0.00 0.25 0.00 0.00 55.06 55.41 2wyh s HIS 50 Cb -0.12 -3.42 -0.13 0.00 -1.18 0.00 0.00 32.58 27.72 2wyh s HIS 50 CO -0.01 -0.83 3.23 1.28 -0.65 0.00 0.00 174.74 177.76 2wyh n LEU 51 N 6.40 5.70 -2.09 8.88 4.77 -0.24 -3.75 117.00 136.68 2wyh n LEU 51 Ca 0.01 -3.46 -0.20 0.00 -0.03 0.00 0.00 56.01 52.33 2wyh n LEU 51 Cb 0.48 -1.33 -0.04 0.00 -2.33 0.00 0.00 43.42 40.20 2wyh n LEU 51 CO 0.54 1.67 -0.23 -0.67 -1.33 0.00 0.00 177.39 177.38 2wyh n ASP 52 N 1.84 -5.45 0.00 -1.43 2.03 -1.26 -2.78 116.55 109.50 2wyh n ASP 52 Ca 0.43 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.93 2wyh n ASP 52 Cb 0.77 -4.65 0.00 0.00 -0.72 0.00 0.00 41.12 36.51 2wyh n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wyh n GLY 53 N -0.75 0.19 2.91 0.27 0.00 -1.26 -4.89 105.19 101.66 2wyh n GLY 53 Ca -0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 2wyh n GLY 53 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wyh s GLN 54 N -1.25 1.57 0.39 1.61 -2.07 -1.12 -1.57 119.66 117.22 2wyh s GLN 54 Ca 0.00 -0.42 0.28 0.00 -1.82 0.00 0.00 55.36 53.40 2wyh s GLN 54 Cb 0.00 -1.85 0.97 0.00 -1.09 0.00 0.00 33.01 31.04 2wyh s GLN 54 CO 0.00 -0.34 1.80 1.79 -1.32 0.00 0.00 175.29 177.22 2wyh h THR 55 N 6.27 0.00 -0.54 3.63 1.35 -0.42 -3.16 112.91 120.04 2wyh h THR 55 Ca -0.28 -0.51 0.13 0.00 -0.55 0.00 0.00 66.41 65.19 2wyh h THR 55 Cb 1.12 1.44 -0.03 0.00 -1.73 0.00 0.00 68.15 68.95 2wyh h THR 55 CO 0.42 0.00 0.37 -0.29 -0.25 0.00 0.00 175.52 175.77 2wyh h ILE 56 N 0.00 0.81 -0.94 6.82 2.10 -1.56 -2.01 117.51 122.72 2wyh h ILE 56 Ca 0.00 -0.06 0.12 0.00 1.08 0.00 0.00 64.86 66.00 2wyh h ILE 56 Cb 0.60 0.62 -0.08 0.00 -1.09 0.00 0.00 36.82 36.86 2wyh h ILE 56 CO 0.00 0.03 0.57 0.40 -1.08 0.00 0.00 178.15 178.07 2wyh h ILE 57 N 0.17 0.88 -0.41 2.19 2.04 -1.82 -0.26 117.51 120.30 2wyh h ILE 57 Ca 0.26 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2wyh h ILE 57 Cb 0.78 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 2wyh h ILE 57 CO -0.04 0.16 0.22 -0.07 0.00 0.00 0.00 178.15 178.42 2wyh h LEU 58 N 0.88 0.51 -0.56 1.44 3.38 -1.61 -1.42 115.31 117.94 2wyh h LEU 58 Ca 0.48 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.34 2wyh h LEU 58 Cb 0.51 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2wyh h LEU 58 CO -0.28 0.46 0.30 0.44 0.09 0.00 0.00 178.44 179.44 2wyh h ASP 59 N 0.53 0.71 -0.75 -0.43 3.32 -1.40 -1.68 116.42 116.71 2wyh h ASP 59 Ca 0.14 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.10 2wyh h ASP 59 Cb 0.06 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 2wyh h ASP 59 CO -0.02 0.61 0.50 0.44 -1.72 0.00 0.00 179.24 179.04 2wyh h ASP 60 N 0.75 0.87 -0.00 6.45 3.32 -0.85 0.54 116.42 127.50 2wyh h ASP 60 Ca 0.20 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 2wyh h ASP 60 Cb 0.07 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 2wyh h ASP 60 CO -0.03 0.63 0.00 0.22 -1.72 0.00 0.00 179.24 178.34 2wyh h TYR 61 N 1.02 0.00 0.00 4.55 3.20 -1.08 -3.20 116.97 121.46 2wyh h TYR 61 Ca 0.28 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 2wyh h TYR 61 Cb -0.11 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.15 2wyh h TYR 61 CO -0.02 0.20 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.52 2wyh h LEU 62 N -0.20 0.00 -1.76 2.82 3.38 -1.00 -0.22 115.31 118.33 2wyh h LEU 62 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2wyh h LEU 62 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2wyh h LEU 62 CO -0.00 0.11 0.20 0.11 0.09 0.00 0.00 178.44 178.95 2wyh h LYS 63 N 0.00 0.31 0.08 1.13 1.57 -0.88 -1.33 116.57 117.45 2wyh h LYS 63 Ca -0.00 -0.02 -0.37 0.00 -1.87 0.00 0.00 60.65 58.39 2wyh h LYS 63 Cb 0.66 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 2wyh h LYS 63 CO 0.01 0.21 -2.08 0.28 -0.57 0.00 0.00 179.45 177.30 2wyh n VAL 64 N -4.49 1.69 -3.17 0.50 0.31 -0.52 -4.64 118.33 108.01 2wyh n VAL 64 Ca 0.02 -0.59 -0.27 0.00 -0.01 0.00 0.00 64.34 63.50 2wyh n VAL 64 Cb 0.13 -1.68 -0.06 0.00 -0.91 0.00 0.00 33.84 31.31 2wyh n VAL 64 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wyh n ARG 65 N -3.51 2.77 0.28 5.55 1.74 -0.21 -4.90 116.66 118.38 2wyh n ARG 65 Ca -0.36 -4.68 0.13 0.00 -0.77 0.00 0.00 57.85 52.17 2wyh n ARG 65 Cb 1.01 -2.20 0.81 0.00 -1.02 0.00 0.00 32.46 31.06 2wyh n ARG 65 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2wyh h PRO 66 N 3.55 0.00 0.00 5.56 0.13 -1.49 -0.38 132.00 139.36 2wyh h PRO 66 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2wyh h PRO 66 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 2wyh h PRO 66 CO 0.81 0.03 0.00 -0.85 -0.23 0.00 0.00 178.00 177.76 2wyh n GLU 67 N -3.96 0.14 -0.09 0.86 0.00 -1.26 -2.56 120.64 113.77 2wyh n GLU 67 Ca -0.03 0.53 0.11 0.00 0.00 0.00 0.00 57.16 57.77 2wyh n GLU 67 Cb 0.12 -1.87 0.35 0.00 0.00 0.00 0.00 31.44 30.05 2wyh n GLU 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2wyh n ARG 68 N -2.15 1.83 -0.17 3.44 5.12 -0.15 -4.47 116.66 120.11 2wyh n ARG 68 Ca 0.00 -1.24 -0.01 0.00 -1.93 0.00 0.00 57.85 54.66 2wyh n ARG 68 Cb 0.11 -1.41 0.07 0.00 -1.16 0.00 0.00 32.46 30.07 2wyh n ARG 68 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 2wyh h GLU 69 N 2.52 0.16 -0.82 5.56 4.81 -1.66 -0.16 114.58 124.99 2wyh h GLU 69 Ca 0.00 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.29 2wyh h GLU 69 Cb 0.55 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 2wyh h GLU 69 CO 0.00 0.11 0.49 -1.35 -0.73 0.00 0.00 179.01 177.53 2wyh h PRO 70 N 0.17 0.86 -0.49 0.92 0.11 -1.87 0.65 132.00 132.34 2wyh h PRO 70 Ca 0.27 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.23 2wyh h PRO 70 Cb 0.40 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 2wyh h PRO 70 CO -0.40 0.57 -0.07 0.93 -0.21 0.00 0.00 178.00 178.82 2wyh h GLU 71 N 0.88 0.92 -0.23 1.05 3.07 -1.60 -0.43 114.58 118.24 2wyh h GLU 71 Ca 0.37 -0.33 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 2wyh h GLU 71 Cb 0.23 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 2wyh h GLU 71 CO -0.19 0.98 0.14 0.82 -1.40 0.00 0.00 179.01 179.35 2wyh h ILE 72 N 0.77 1.09 -0.68 3.13 1.08 -0.77 -1.15 117.51 120.99 2wyh h ILE 72 Ca 0.13 -0.21 0.03 0.00 -0.39 0.00 0.00 64.86 64.42 2wyh h ILE 72 Cb 0.61 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 35.13 2wyh h ILE 72 CO 0.04 0.09 0.42 -0.09 -0.69 0.00 0.00 178.15 177.92 2wyh h ARG 73 N 0.29 0.81 -0.57 2.37 2.43 -0.64 -1.56 114.38 117.52 2wyh h ARG 73 Ca 0.08 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 2wyh h ARG 73 Cb 0.02 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 2wyh h ARG 73 CO -0.02 0.54 -0.06 0.37 -1.51 0.00 0.00 179.97 179.29 2wyh h GLN 74 N 0.84 1.04 -0.26 0.20 5.75 -0.89 -0.20 115.11 121.58 2wyh h GLN 74 Ca 0.27 -0.36 -0.06 0.00 -0.15 0.00 0.00 58.65 58.35 2wyh h GLN 74 Cb 0.01 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 2wyh h GLN 74 CO -0.10 1.05 -0.08 0.00 -2.65 0.00 0.00 178.83 177.04 2wyh h ALA 75 N 0.98 1.37 -0.05 3.38 0.00 -0.89 -0.45 119.26 123.60 2wyh h ALA 75 Ca 0.15 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2wyh h ALA 75 Cb 0.63 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2wyh h ALA 75 CO 0.04 0.43 -0.18 0.82 0.00 0.00 0.00 179.25 180.36 2wyh h ILE 76 N 0.40 1.45 -0.98 0.00 2.04 -0.98 -0.35 117.51 119.08 2wyh h ILE 76 Ca 0.08 -1.61 0.05 0.00 1.00 0.00 0.00 64.86 64.38 2wyh h ILE 76 Cb 0.40 2.37 -0.06 0.00 -0.74 0.00 0.00 36.82 38.79 2wyh h ILE 76 CO 0.02 0.45 0.64 0.00 0.00 0.00 0.00 178.15 179.26 2wyh h ALA 77 N 0.41 1.33 0.00 1.87 0.00 -0.87 -1.62 119.26 120.38 2wyh h ALA 77 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2wyh h ALA 77 Cb 0.82 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2wyh h ALA 77 CO 0.04 0.49 0.00 -1.13 0.00 0.00 0.00 179.25 178.65 2wyh n SER 78 N -4.48 0.21 0.00 0.00 3.41 -0.19 -4.92 113.62 107.65 2wyh n SER 78 Ca 0.14 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 2wyh n SER 78 Cb 0.13 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 2wyh n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wyh n GLY 79 N 1.04 0.74 0.12 5.00 0.00 -0.61 -4.95 105.19 106.54 2wyh n GLY 79 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 2wyh n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wyh h LYS 80 N 2.91 0.00 -4.94 1.61 1.57 -1.27 -3.40 116.57 113.04 2wyh h LYS 80 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 2wyh h LYS 80 Cb 0.00 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.06 2wyh h LYS 80 CO 0.00 0.67 -0.66 -0.51 -0.57 0.00 0.00 179.45 178.39 2wyh s LEU 81 N -6.87 3.32 -0.29 2.94 1.43 -0.78 -0.54 118.68 117.90 2wyh s LEU 81 Ca 0.01 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 2wyh s LEU 81 Cb 0.10 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 2wyh s LEU 81 CO 0.76 -0.06 0.18 -0.13 0.23 0.00 0.00 176.35 177.33 2wyh s ARG 82 N 1.55 3.79 0.17 1.70 1.81 -0.03 -4.49 118.95 123.46 2wyh s ARG 82 Ca 0.06 -0.42 0.11 0.00 -1.72 0.00 0.00 55.73 53.75 2wyh s ARG 82 Cb -0.15 -3.63 -0.04 0.00 -0.45 0.00 0.00 34.95 30.68 2wyh s ARG 82 CO 0.01 -0.24 -0.21 0.96 -0.68 0.00 0.00 175.30 175.14 2wyh s ILE 83 N 1.72 2.54 0.09 1.52 -4.36 -1.26 -1.07 121.20 120.38 2wyh s ILE 83 Ca 0.07 -1.87 0.00 0.00 -0.26 0.00 0.00 60.65 58.59 2wyh s ILE 83 Cb -0.16 -2.21 0.00 0.00 1.25 0.00 0.00 42.46 41.34 2wyh s ILE 83 CO 0.09 -0.06 0.00 0.61 0.24 0.00 0.00 174.94 175.83 2wyh n GLY 84 N 0.38 -0.99 0.15 6.27 0.00 -1.26 -2.10 105.19 107.64 2wyh n GLY 84 Ca -0.13 -0.82 0.02 0.00 0.00 0.00 0.00 46.02 45.08 2wyh n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wyh n PRO 85 N -2.25 0.14 -3.27 1.61 -0.04 -1.18 -4.06 135.00 125.95 2wyh n PRO 85 Ca 0.00 -0.89 -0.20 0.00 -0.04 0.00 0.00 63.50 62.37 2wyh n PRO 85 Cb 0.19 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 2wyh n PRO 85 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2wyh s PHE 86 N -0.43 3.14 -0.10 0.54 0.08 -0.61 -3.53 117.98 117.07 2wyh s PHE 86 Ca 0.05 -0.06 -0.26 0.00 0.12 0.00 0.00 56.93 56.77 2wyh s PHE 86 Cb 0.03 -2.13 -0.28 0.00 -0.57 0.00 0.00 43.02 40.07 2wyh s PHE 86 CO 0.04 -0.16 0.82 -0.92 -0.10 0.00 0.00 175.22 174.91 2wyh h TYR 87 N 0.69 0.19 -4.02 0.36 3.20 -1.73 0.16 116.97 115.83 2wyh h TYR 87 Ca -0.46 -0.14 -0.31 0.00 3.14 0.00 0.00 58.73 60.97 2wyh h TYR 87 Cb 1.26 -0.01 -0.15 0.00 1.54 0.00 0.00 36.73 39.37 2wyh h TYR 87 CO 0.43 1.10 -0.62 0.96 -1.64 0.00 0.00 178.16 178.39 2wyh s ILE 88 N -2.33 0.40 -0.49 1.81 -5.25 -1.26 -1.65 121.20 112.43 2wyh s ILE 88 Ca -0.17 -2.00 -0.13 0.00 -0.99 0.00 0.00 60.65 57.37 2wyh s ILE 88 Cb -0.02 -2.54 0.11 0.00 2.95 0.00 0.00 42.46 42.97 2wyh s ILE 88 CO 0.74 -0.06 0.40 -0.76 -1.79 0.00 0.00 174.94 173.47 2wyh s LEU 89 N -3.25 5.79 0.73 0.37 1.43 -1.26 -4.89 118.68 117.60 2wyh s LEU 89 Ca 0.37 -1.72 -0.11 0.00 -1.03 0.00 0.00 54.13 51.63 2wyh s LEU 89 Cb 0.07 -2.11 0.04 0.00 0.03 0.00 0.00 46.19 44.23 2wyh s LEU 89 CO 0.12 -0.73 1.10 0.00 0.23 0.00 0.00 176.35 177.07 2wyh s GLN 90 N 1.50 2.46 -0.07 1.70 0.00 -1.26 -1.10 119.66 122.89 2wyh s GLN 90 Ca 0.04 0.21 -0.25 0.00 -0.00 0.00 0.00 55.36 55.36 2wyh s GLN 90 Cb -0.27 -2.03 -0.03 0.00 0.00 0.00 0.00 33.01 30.68 2wyh s GLN 90 CO 0.02 -1.24 0.78 0.34 0.00 0.00 0.00 175.29 175.19 2wyh s ASP 91 N -4.45 7.06 0.04 12.60 2.15 -1.18 -4.30 116.67 128.60 2wyh s ASP 91 Ca 0.59 1.28 -0.27 0.00 0.43 0.00 0.00 52.55 54.59 2wyh s ASP 91 Cb -0.11 -2.45 -0.17 0.00 -0.30 0.00 0.00 42.92 39.89 2wyh s ASP 91 CO 0.49 -0.19 1.48 0.44 -0.17 0.00 0.00 175.17 177.22 2wyh h ASP 92 N 6.86 -0.35 1.09 -0.34 3.32 -1.93 -3.22 116.42 121.83 2wyh h ASP 92 Ca -0.39 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.49 2wyh h ASP 92 Cb 1.19 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 2wyh h ASP 92 CO 0.76 -0.12 -0.36 -0.26 -1.72 0.00 0.00 179.24 177.54 2wyh h PHE 93 N -0.59 0.00 -0.03 4.55 0.04 -1.93 -3.20 116.94 115.79 2wyh h PHE 93 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2wyh h PHE 93 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 2wyh h PHE 93 CO -0.01 0.36 -0.08 1.28 -0.60 0.00 0.00 178.31 179.26 2wyh n LEU 94 N -3.39 2.77 -4.76 1.54 4.77 -1.25 -4.69 117.00 111.99 2wyh n LEU 94 Ca 0.01 -0.94 -0.28 0.00 -0.03 0.00 0.00 56.01 54.77 2wyh n LEU 94 Cb 0.56 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.58 2wyh n LEU 94 CO 0.37 0.47 -0.26 0.42 -1.33 0.00 0.00 177.39 177.06 2wyh s THR 95 N -2.08 4.36 0.81 -5.08 -4.23 -1.21 -5.02 115.64 103.19 2wyh s THR 95 Ca 0.27 -0.99 -0.12 0.00 -1.18 0.00 0.00 61.69 59.66 2wyh s THR 95 Cb 0.20 -3.16 0.08 0.00 1.34 0.00 0.00 72.50 70.96 2wyh s THR 95 CO 0.35 0.01 1.17 -0.94 -0.54 0.00 0.00 174.62 174.66 2wyh s SER 96 N -2.73 3.75 0.19 3.99 1.04 -1.26 -4.82 113.70 113.86 2wyh s SER 96 Ca 0.29 2.21 -0.15 0.00 0.48 0.00 0.00 55.95 58.78 2wyh s SER 96 Cb -0.11 -2.57 0.16 0.00 0.10 0.00 0.00 66.02 63.60 2wyh s SER 96 CO 0.22 -2.55 1.65 0.28 0.98 0.00 0.00 173.24 173.81 2wyh h SER 97 N -1.03 -0.49 -0.68 7.02 0.02 -1.91 -1.89 113.55 114.59 2wyh h SER 97 Ca -0.45 0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.62 2wyh h SER 97 Cb 1.27 0.32 -0.03 0.00 0.14 0.00 0.00 62.40 64.10 2wyh h SER 97 CO 0.47 -0.17 0.30 -0.33 -1.14 0.00 0.00 176.83 175.96 2wyh h GLU 98 N -0.00 1.03 -0.67 3.45 4.39 -1.91 -2.73 114.58 118.13 2wyh h GLU 98 Ca 0.25 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.79 2wyh h GLU 98 Cb 0.38 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 2wyh h GLU 98 CO -0.53 0.82 0.45 0.77 -1.16 0.00 0.00 179.01 179.35 2wyh h SER 99 N 1.01 0.77 -0.33 1.42 0.02 -1.71 0.33 113.55 115.06 2wyh h SER 99 Ca 0.24 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 2wyh h SER 99 Cb 0.16 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 2wyh h SER 99 CO -0.02 0.56 0.15 0.78 -1.14 0.00 0.00 176.83 177.15 2wyh h ASN 100 N 0.91 0.47 0.12 3.07 2.35 -1.10 -0.95 115.58 120.45 2wyh h ASN 100 Ca 0.25 -0.04 -0.28 0.00 -0.55 0.00 0.00 56.30 55.68 2wyh h ASN 100 Cb -0.10 -0.12 0.03 0.00 0.05 0.00 0.00 38.32 38.18 2wyh h ASN 100 CO -0.05 0.43 -1.15 0.58 -1.65 0.00 0.00 177.43 175.59 2wyh h VAL 101 N 0.53 1.32 -0.03 2.81 2.07 -1.09 -3.34 116.25 118.51 2wyh h VAL 101 Ca 0.13 -2.43 -0.06 0.00 0.82 0.00 0.00 66.70 65.16 2wyh h VAL 101 Cb 0.10 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 2wyh h VAL 101 CO -0.01 0.73 -0.26 0.03 0.02 0.00 0.00 177.57 178.08 2wyh h ARG 102 N 0.17 0.05 -0.81 1.57 2.47 -0.05 -0.90 114.38 116.88 2wyh h ARG 102 Ca -0.18 -0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.61 2wyh h ARG 102 Cb 1.84 -0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 30.09 2wyh h ARG 102 CO 0.22 0.31 0.47 -0.97 0.56 0.00 0.00 179.97 180.56 2wyh h ASN 103 N 0.05 0.70 0.50 7.04 -1.24 -1.32 -0.65 115.58 120.67 2wyh h ASN 103 Ca 0.01 0.04 -0.22 0.00 0.71 0.00 0.00 56.30 56.83 2wyh h ASN 103 Cb 0.48 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.42 2wyh h ASN 103 CO 0.03 0.42 -0.96 0.24 -1.29 0.00 0.00 177.43 175.88 2wyh h MET 104 N 0.83 0.29 -0.02 6.67 2.86 -1.34 -1.52 114.93 122.70 2wyh h MET 104 Ca 0.38 -0.34 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2wyh h MET 104 Cb 0.28 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 2wyh h MET 104 CO -0.22 1.06 0.00 1.25 1.06 0.00 0.00 176.91 180.07 2wyh h LEU 105 N 0.15 0.03 -0.50 1.22 5.85 -0.90 0.41 115.31 121.56 2wyh h LEU 105 Ca -0.07 -0.25 -0.09 0.00 0.84 0.00 0.00 57.88 58.31 2wyh h LEU 105 Cb 1.61 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.62 2wyh h LEU 105 CO 0.16 0.27 -0.05 0.40 -0.34 0.00 0.00 178.44 178.87 2wyh h ILE 106 N -0.21 1.27 -0.50 4.05 1.08 -1.19 -0.81 117.51 121.19 2wyh h ILE 106 Ca 0.01 -1.17 0.01 0.00 -0.39 0.00 0.00 64.86 63.32 2wyh h ILE 106 Cb 0.25 1.01 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 2wyh h ILE 106 CO 0.00 0.41 0.32 1.23 -0.69 0.00 0.00 178.15 179.42 2wyh h GLY 107 N 0.78 0.71 0.99 5.37 0.00 -1.23 0.26 103.07 109.95 2wyh h GLY 107 Ca 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 2wyh h GLY 107 CO 0.04 0.23 0.21 1.70 0.00 0.00 0.00 176.54 178.72 2wyh h LYS 108 N 0.65 0.84 -0.40 4.80 1.63 -0.82 -0.16 116.57 123.10 2wyh h LYS 108 Ca 0.19 -0.16 0.01 0.00 -0.85 0.00 0.00 60.65 59.85 2wyh h LYS 108 Cb -0.04 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.44 2wyh h LYS 108 CO -0.06 0.73 0.25 1.49 -3.45 0.00 0.00 179.45 178.41 2wyh h GLU 109 N 0.76 0.50 -0.45 1.90 4.81 -0.75 0.85 114.58 122.20 2wyh h GLU 109 Ca 0.18 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2wyh h GLU 109 Cb 0.21 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2wyh h GLU 109 CO -0.01 0.33 0.25 -0.44 -0.73 0.00 0.00 179.01 178.41 2wyh h ASP 110 N 0.51 0.55 -0.81 1.04 3.32 -0.79 -1.80 116.42 118.45 2wyh h ASP 110 Ca 0.15 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2wyh h ASP 110 Cb -0.03 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 2wyh h ASP 110 CO -0.05 0.47 0.51 0.00 -1.72 0.00 0.00 179.24 178.45 2wyh h ASP 112 N 1.11 0.60 -0.73 0.00 3.32 -0.66 0.30 116.42 120.35 2wyh h ASP 112 Ca 0.29 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 2wyh h ASP 112 Cb -0.08 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 2wyh h ASP 112 CO -0.06 0.53 0.45 -0.09 -1.72 0.00 0.00 179.24 178.35 2wyh h ARG 113 N 0.63 0.99 0.00 3.56 2.43 -0.96 -2.89 114.38 118.13 2wyh h ARG 113 Ca 0.17 -0.09 -0.13 0.00 -0.81 0.00 0.00 59.98 59.12 2wyh h ARG 113 Cb 0.07 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 2wyh h ARG 113 CO -0.02 0.69 -0.63 -1.49 -1.51 0.00 0.00 179.97 177.01 2wyh h TRP 114 N 1.00 0.00 0.00 2.20 4.06 -1.00 -3.48 115.95 118.73 2wyh h TRP 114 Ca 0.26 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.21 2wyh h TRP 114 Cb -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.12 2wyh h TRP 114 CO -0.01 0.63 0.00 0.41 -3.56 0.00 0.00 178.44 175.91 2wyh n GLY 115 N 1.14 0.85 3.45 1.49 0.00 1.00 -4.70 105.19 108.41 2wyh n GLY 115 Ca 0.01 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 2wyh n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wyh s ALA 116 N -2.00 -1.66 0.19 4.61 0.00 -0.88 -4.93 121.76 117.10 2wyh s ALA 116 Ca 0.00 0.68 -0.01 0.00 0.00 0.00 0.00 51.96 52.63 2wyh s ALA 116 Cb 0.00 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.82 2wyh s ALA 116 CO 0.00 -0.71 0.26 0.45 0.00 0.00 0.00 175.76 175.77 2wyh n SER 117 N -0.20 -0.74 -3.99 0.00 2.88 -1.26 -4.56 113.62 105.76 2wyh n SER 117 Ca -0.16 -2.05 -0.25 0.00 -1.33 0.00 0.00 58.87 55.08 2wyh n SER 117 Cb 0.64 1.38 -0.17 0.00 -0.75 0.00 0.00 64.21 65.31 2wyh n SER 117 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2wyh s VAL 118 N -2.65 1.11 -0.90 2.46 1.01 -0.89 -4.58 120.40 115.97 2wyh s VAL 118 Ca 0.16 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 2wyh s VAL 118 Cb -0.00 -1.05 -0.17 0.00 0.00 0.00 0.00 36.38 35.16 2wyh s VAL 118 CO 0.12 0.36 3.26 -0.81 0.00 0.00 0.00 175.10 178.03 2wyh n PRO 119 N 4.18 2.95 -3.55 2.72 -0.04 -1.26 -4.17 135.00 135.83 2wyh n PRO 119 Ca -0.20 -1.67 -0.12 0.00 -0.04 0.00 0.00 63.50 61.47 2wyh n PRO 119 Cb 0.51 -2.44 -0.11 0.00 -0.04 0.00 0.00 33.50 31.42 2wyh n PRO 119 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2wyh s LEU 120 N 0.07 -0.40 0.27 1.53 2.96 -1.26 -4.58 118.68 117.26 2wyh s LEU 120 Ca 0.69 0.40 -0.31 0.00 -0.22 0.00 0.00 54.13 54.69 2wyh s LEU 120 Cb 0.24 0.85 -0.12 0.00 0.50 0.00 0.00 46.19 47.67 2wyh s LEU 120 CO -0.03 -0.27 1.60 0.61 -1.32 0.00 0.00 176.35 176.93 2wyh n GLY 121 N 5.35 1.31 3.00 7.98 0.00 -0.39 -4.43 105.19 118.00 2wyh n GLY 121 Ca -0.06 0.50 -0.31 0.00 0.00 0.00 0.00 46.02 46.15 2wyh n GLY 121 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2wyh s TYR 122 N 0.22 2.93 -0.42 1.61 5.04 -1.26 -0.60 117.35 124.87 2wyh s TYR 122 Ca 0.67 -2.18 0.10 0.00 -2.44 0.00 0.00 57.07 53.22 2wyh s TYR 122 Cb -0.52 -1.94 0.38 0.00 0.35 0.00 0.00 41.96 40.23 2wyh s TYR 122 CO 0.45 -0.85 0.89 1.19 -1.34 0.00 0.00 175.55 175.90 2wyh n PHE 123 N 4.52 1.90 -0.00 4.97 3.72 0.85 -4.92 117.46 128.50 2wyh n PHE 123 Ca -0.10 -3.53 0.03 0.00 -0.05 0.00 0.00 57.45 53.79 2wyh n PHE 123 Cb 0.43 -0.38 0.38 0.00 -0.94 0.00 0.00 39.48 38.97 2wyh n PHE 123 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wyh h PRO 124 N 2.93 0.54 0.00 -1.08 0.13 -1.92 -3.22 132.00 129.38 2wyh h PRO 124 Ca 0.09 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2wyh h PRO 124 Cb 0.89 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2wyh h PRO 124 CO 0.64 0.42 0.00 -3.47 -0.23 0.00 0.00 178.00 175.36 2wyh n ASP 125 N -4.41 0.61 -4.62 1.44 2.03 -1.26 -2.13 116.55 108.21 2wyh n ASP 125 Ca 0.03 -0.95 -0.48 0.00 0.52 0.00 0.00 54.79 53.90 2wyh n ASP 125 Cb 0.11 0.05 -0.04 0.00 -0.72 0.00 0.00 41.12 40.52 2wyh n ASP 125 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2wyh n THR 126 N -0.05 0.52 -2.51 5.18 -1.04 -1.24 -4.85 114.28 110.28 2wyh n THR 126 Ca 0.00 -0.13 -0.43 0.00 -2.04 0.00 0.00 64.05 61.45 2wyh n THR 126 Cb 0.08 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 2wyh n THR 126 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2wyh n PHE 127 N 2.21 4.16 -0.00 -1.42 3.72 -1.26 -4.64 117.46 120.22 2wyh n PHE 127 Ca 0.15 -3.03 0.00 0.00 -0.05 0.00 0.00 57.45 54.52 2wyh n PHE 127 Cb 0.26 -2.29 0.00 0.00 -0.94 0.00 0.00 39.48 36.50 2wyh n PHE 127 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wyh n GLY 128 N 4.07 1.65 3.43 1.37 0.00 -1.26 -4.88 105.19 109.57 2wyh n GLY 128 Ca 0.43 -1.38 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 2wyh n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wyh s ASN 129 N -0.01 4.59 0.44 1.61 0.01 0.12 -4.58 114.94 117.11 2wyh s ASN 129 Ca 0.00 -0.22 -0.26 0.00 -0.71 0.00 0.00 52.86 51.67 2wyh s ASN 129 Cb 0.00 -1.76 -0.09 0.00 0.41 0.00 0.00 41.25 39.82 2wyh s ASN 129 CO 0.00 0.11 1.44 0.00 -1.51 0.00 0.00 177.10 177.15 2wyh s MET 130 N 0.69 3.74 0.54 -0.60 0.23 -1.26 -1.43 119.30 121.20 2wyh s MET 130 Ca -0.02 2.45 0.24 0.00 -1.03 0.00 0.00 55.69 57.33 2wyh s MET 130 Cb -0.15 -2.70 1.50 0.00 -1.53 0.00 0.00 34.83 31.95 2wyh s MET 130 CO 0.02 -0.79 2.16 0.78 -2.03 0.00 0.00 175.02 175.16 2wyh h GLY 131 N 2.41 0.00 -0.53 3.16 0.00 -1.90 -2.15 103.07 104.07 2wyh h GLY 131 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2wyh h GLY 131 CO 0.61 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 176.09 2wyh n GLN 132 N -4.04 1.50 -0.30 4.80 1.13 -1.26 -4.29 117.38 114.92 2wyh n GLN 132 Ca -0.03 -0.76 0.12 0.00 -1.94 0.00 0.00 57.00 54.40 2wyh n GLN 132 Cb 0.14 -1.29 0.28 0.00 0.11 0.00 0.00 30.24 29.48 2wyh n GLN 132 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2wyh h THR 133 N 1.40 0.47 -0.15 5.09 2.02 -1.76 -0.55 112.91 119.42 2wyh h THR 133 Ca 0.00 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 2wyh h THR 133 Cb 0.31 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 2wyh h THR 133 CO 0.00 0.07 0.09 -0.65 0.37 0.00 0.00 175.52 175.39 2wyh h PRO 134 N 0.36 0.21 -0.41 6.66 0.11 -1.86 0.02 132.00 137.09 2wyh h PRO 134 Ca 0.53 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.61 2wyh h PRO 134 Cb 1.00 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 2wyh h PRO 134 CO -0.54 0.22 0.24 0.37 -0.21 0.00 0.00 178.00 178.08 2wyh h GLN 135 N 0.15 0.57 -0.94 1.05 4.15 -1.71 -1.43 115.11 116.96 2wyh h GLN 135 Ca 0.05 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.42 2wyh h GLN 135 Cb 0.07 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.60 2wyh h GLN 135 CO -0.01 0.44 0.61 -0.07 -1.93 0.00 0.00 178.83 177.87 2wyh h LEU 136 N 0.54 1.08 0.17 -2.39 3.38 -0.96 -1.06 115.31 116.07 2wyh h LEU 136 Ca 0.15 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2wyh h LEU 136 Cb 0.02 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2wyh h LEU 136 CO -0.03 0.79 -0.08 0.24 0.09 0.00 0.00 178.44 179.45 2wyh h MET 137 N 1.27 -0.22 -0.84 1.13 2.86 -0.87 -2.85 114.93 115.41 2wyh h MET 137 Ca 0.34 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 58.04 2wyh h MET 137 Cb -0.14 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.52 2wyh h MET 137 CO -0.07 0.16 0.53 -0.07 1.06 0.00 0.00 176.91 178.52 2wyh h LEU 138 N -0.67 0.86 -0.79 1.22 3.38 -0.80 0.21 115.31 118.73 2wyh h LEU 138 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2wyh h LEU 138 Cb 0.48 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2wyh h LEU 138 CO 0.04 0.57 0.00 0.29 0.09 0.00 0.00 178.44 179.43 2wyh n LYS 139 N -4.59 1.51 -0.27 1.13 5.02 -0.42 -1.87 118.16 118.67 2wyh n LYS 139 Ca 0.11 -0.78 0.09 0.00 -2.02 0.00 0.00 58.31 55.71 2wyh n LYS 139 Cb 0.13 -1.30 0.20 0.00 -0.02 0.00 0.00 35.03 34.04 2wyh n LYS 139 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wyh n ALA 140 N 0.04 2.63 -1.56 7.82 0.00 -0.39 -0.30 120.51 128.75 2wyh n ALA 140 Ca 0.13 -2.37 -0.06 0.00 0.00 0.00 0.00 53.44 51.13 2wyh n ALA 140 Cb 0.23 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.12 2wyh n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wyh n GLY 141 N -0.87 0.55 3.34 0.00 0.00 -0.78 -4.97 105.19 102.45 2wyh n GLY 141 Ca 0.18 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 2wyh n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wyh s LEU 142 N -1.53 2.36 0.00 0.99 1.43 0.60 -4.99 118.68 117.53 2wyh s LEU 142 Ca 0.00 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 52.79 2wyh s LEU 142 Cb 0.00 -1.46 0.19 0.00 0.03 0.00 0.00 46.19 44.95 2wyh s LEU 142 CO 0.00 0.26 1.09 0.00 0.23 0.00 0.00 176.35 177.93 2wyh n GLN 143 N 2.88 2.24 -3.74 1.70 3.00 -1.26 -2.24 117.38 119.96 2wyh n GLN 143 Ca -0.17 -1.70 -0.13 0.00 -0.01 0.00 0.00 57.00 54.98 2wyh n GLN 143 Cb 0.52 -1.20 -0.08 0.00 0.00 0.00 0.00 30.24 29.48 2wyh n GLN 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2wyh s ALA 144 N -0.93 -0.84 -0.02 -1.58 0.00 -1.26 -1.54 121.76 115.59 2wyh s ALA 144 Ca 0.16 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.47 2wyh s ALA 144 Cb 0.09 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.31 2wyh s ALA 144 CO 0.12 -0.28 0.04 0.00 0.00 0.00 0.00 175.76 175.64 2wyh s ALA 145 N -1.42 -0.08 -0.11 0.00 0.00 -0.49 -1.27 121.76 118.38 2wyh s ALA 145 Ca -0.13 0.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.94 2wyh s ALA 145 Cb -0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 2wyh s ALA 145 CO 0.04 -0.03 0.05 0.00 0.00 0.00 0.00 175.76 175.81 2wyh s ALA 146 N 0.19 3.46 0.09 0.00 0.00 0.23 -0.56 121.76 125.17 2wyh s ALA 146 Ca -0.01 -0.75 -0.12 0.00 0.00 0.00 0.00 51.96 51.08 2wyh s ALA 146 Cb -0.02 -1.69 0.01 0.00 0.00 0.00 0.00 23.12 21.42 2wyh s ALA 146 CO -0.01 0.51 0.28 -0.59 0.00 0.00 0.00 175.76 175.96 2wyh s PHE 147 N -0.66 -0.01 -0.01 0.00 -0.12 -0.39 -0.11 117.98 116.68 2wyh s PHE 147 Ca 0.11 -0.33 0.07 0.00 -0.05 0.00 0.00 56.93 56.74 2wyh s PHE 147 Cb -0.12 0.08 -0.12 0.00 -0.63 0.00 0.00 43.02 42.23 2wyh s PHE 147 CO 0.02 -0.59 0.16 0.41 -0.05 0.00 0.00 175.22 175.17 2wyh n GLY 148 N -0.02 -0.34 3.39 1.99 0.00 -0.90 -1.09 105.19 108.22 2wyh n GLY 148 Ca -0.16 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 2wyh n GLY 148 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wyh s ARG 149 N -2.51 2.33 0.00 1.61 0.52 -1.26 -4.75 118.95 114.89 2wyh s ARG 149 Ca -0.03 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 54.37 2wyh s ARG 149 Cb 0.05 -2.22 0.00 0.00 0.52 0.00 0.00 34.95 33.30 2wyh s ARG 149 CO 0.31 0.58 0.00 0.41 0.02 0.00 0.00 175.30 176.62 2wyh n GLY 150 N 2.41 0.57 3.21 -3.53 0.00 -1.26 -4.88 105.19 101.72 2wyh n GLY 150 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2wyh n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wyh s ILE 151 N -2.00 1.89 -0.41 -0.61 -1.09 -1.26 -4.53 121.20 113.19 2wyh s ILE 151 Ca 0.00 -0.95 -0.13 0.00 -2.23 0.00 0.00 60.65 57.34 2wyh s ILE 151 Cb 0.00 -1.62 0.03 0.00 -1.58 0.00 0.00 42.46 39.29 2wyh s ILE 151 CO 0.00 0.53 0.28 -0.60 -1.23 0.00 0.00 174.94 173.91 2wyh s ARG 152 N 0.11 2.89 0.23 2.79 3.52 -0.44 -4.95 118.95 123.09 2wyh s ARG 152 Ca -0.10 -1.12 -0.30 0.00 -0.13 0.00 0.00 55.73 54.08 2wyh s ARG 152 Cb -0.15 -3.90 -0.09 0.00 -1.56 0.00 0.00 34.95 29.25 2wyh s ARG 152 CO 0.05 -0.79 0.97 -1.25 -0.81 0.00 0.00 175.30 173.47 2wyh s PRO 153 N 1.61 4.81 0.27 5.12 0.04 -1.26 -0.71 135.00 144.87 2wyh s PRO 153 Ca 0.04 1.53 0.10 0.00 0.04 0.00 0.00 61.00 62.70 2wyh s PRO 153 Cb -0.20 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 2wyh s PRO 153 CO 0.08 0.43 -0.03 0.95 0.04 0.00 0.00 177.00 178.47 2wyh s THR 154 N -1.00 3.35 0.00 1.26 -4.23 0.18 -4.89 115.64 110.31 2wyh s THR 154 Ca 0.42 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 2wyh s THR 154 Cb -0.26 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.79 2wyh s THR 154 CO 0.33 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 2wyh n GLY 155 N -0.87 -2.28 1.52 3.99 0.00 -1.26 -4.31 105.19 101.98 2wyh n GLY 155 Ca -0.06 -1.43 0.09 0.00 0.00 0.00 0.00 46.02 44.62 2wyh n GLY 155 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2wyh n PHE 156 N -1.68 1.38 0.07 1.61 -1.74 -1.26 -4.40 117.46 111.44 2wyh n PHE 156 Ca 0.00 -0.56 0.08 0.00 -0.56 0.00 0.00 57.45 56.41 2wyh n PHE 156 Cb 0.00 -0.21 -0.12 0.00 1.52 0.00 0.00 39.48 40.67 2wyh n PHE 156 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 2wyh n ASN 157 N 1.15 1.33 -4.47 5.98 5.03 -1.26 -5.01 115.26 118.01 2wyh n ASN 157 Ca 0.25 -0.09 -0.31 0.00 0.87 0.00 0.00 54.58 55.30 2wyh n ASN 157 Cb 0.83 1.64 -0.12 0.00 -1.02 0.00 0.00 39.78 41.10 2wyh n ASN 157 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 2wyh s ASN 158 N -3.66 3.85 0.10 6.41 0.01 -1.26 -5.09 114.94 115.29 2wyh s ASN 158 Ca -0.04 -0.43 -0.34 0.00 -0.71 0.00 0.00 52.86 51.33 2wyh s ASN 158 Cb 0.10 -0.62 -0.14 0.00 0.41 0.00 0.00 41.25 41.01 2wyh s ASN 158 CO 0.65 0.25 1.63 0.00 -1.51 0.00 0.00 177.10 178.12 2wyh n GLN 159 N 1.44 2.08 -2.20 -0.60 10.64 -1.26 -4.88 117.38 122.60 2wyh n GLN 159 Ca -0.16 0.75 -0.41 0.00 -1.83 0.00 0.00 57.00 55.36 2wyh n GLN 159 Cb 0.52 -2.53 -0.03 0.00 -0.86 0.00 0.00 30.24 27.34 2wyh n GLN 159 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 2wyh s VAL 160 N 1.61 3.02 -0.39 -0.39 -7.23 -1.26 -4.99 120.40 110.76 2wyh s VAL 160 Ca 0.82 0.94 -0.21 0.00 -1.81 0.00 0.00 61.98 61.72 2wyh s VAL 160 Cb -0.70 -3.60 0.01 0.00 0.56 0.00 0.00 36.38 32.65 2wyh s VAL 160 CO 0.42 0.19 0.66 -0.62 -0.31 0.00 0.00 175.10 175.44 2wyh s ASP 161 N -0.18 6.39 0.49 4.85 -1.08 -1.26 -4.95 116.67 120.93 2wyh s ASP 161 Ca 0.52 -0.04 0.32 0.00 -0.52 0.00 0.00 52.55 52.83 2wyh s ASP 161 Cb -0.37 -2.33 1.37 0.00 -1.46 0.00 0.00 42.92 40.13 2wyh s ASP 161 CO 0.45 -0.70 1.95 0.71 0.52 0.00 0.00 175.17 178.10 2wyh h THR 162 N 5.78 0.00 0.00 1.71 1.35 -2.02 -1.95 112.91 117.78 2wyh h THR 162 Ca -0.26 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 2wyh h THR 162 Cb 1.10 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 2wyh h THR 162 CO 0.87 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.60 2wyh n SER 163 N -2.87 0.62 -4.44 5.36 3.41 -1.26 -4.66 113.62 109.78 2wyh n SER 163 Ca 0.01 0.57 -0.43 0.00 -0.26 0.00 0.00 58.87 58.75 2wyh n SER 163 Cb 0.26 -0.73 -0.04 0.00 -0.26 0.00 0.00 64.21 63.44 2wyh n SER 163 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2wyh s GLU 164 N -3.11 3.15 0.50 4.33 2.02 -0.74 -4.88 118.70 119.97 2wyh s GLU 164 Ca 0.10 -0.99 0.29 0.00 0.02 0.00 0.00 54.97 54.39 2wyh s GLU 164 Cb 0.13 -4.30 1.11 0.00 0.10 0.00 0.00 34.13 31.17 2wyh s GLU 164 CO 0.55 -1.78 1.89 1.57 0.02 0.00 0.00 175.26 177.51 2wyh h LYS 165 N 9.45 0.00 -0.04 1.61 5.09 -1.86 -3.14 116.57 127.67 2wyh h LYS 165 Ca -0.24 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.49 2wyh h LYS 165 Cb 1.07 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.39 2wyh h LYS 165 CO 1.17 0.10 -0.11 0.66 -2.09 0.00 0.00 179.45 179.17 2wyh n TYR 166 N -3.22 0.14 -3.80 0.07 4.01 -1.26 -4.71 117.16 108.38 2wyh n TYR 166 Ca 0.01 -1.12 -0.28 0.00 -0.16 0.00 0.00 57.90 56.34 2wyh n TYR 166 Cb 0.37 -0.20 -0.04 0.00 -0.31 0.00 0.00 39.34 39.17 2wyh n TYR 166 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2wyh s SER 167 N -2.85 6.38 0.08 7.72 0.01 -1.19 -1.33 113.70 122.53 2wyh s SER 167 Ca 0.35 0.34 0.03 0.00 1.31 0.00 0.00 55.95 57.98 2wyh s SER 167 Cb 0.31 -1.99 -0.03 0.00 0.21 0.00 0.00 66.02 64.52 2wyh s SER 167 CO 0.01 0.04 -0.09 -0.55 0.41 0.00 0.00 173.24 173.06 2wyh s SER 168 N -2.93 1.29 -0.05 2.44 0.15 0.11 -4.87 113.70 109.84 2wyh s SER 168 Ca 0.37 -0.78 -0.25 0.00 0.70 0.00 0.00 55.95 55.99 2wyh s SER 168 Cb -0.12 0.03 -0.22 0.00 -1.71 0.00 0.00 66.02 64.00 2wyh s SER 168 CO 0.28 -0.27 1.08 -0.61 1.20 0.00 0.00 173.24 174.92 2wyh h GLN 169 N 3.69 0.10 -5.37 5.44 4.15 -1.86 0.50 115.11 121.76 2wyh h GLN 169 Ca -0.37 -0.08 -0.66 0.00 0.77 0.00 0.00 58.65 58.31 2wyh h GLN 169 Cb 1.19 0.02 -0.12 0.00 0.21 0.00 0.00 27.48 28.78 2wyh h GLN 169 CO 0.52 0.78 -0.50 -0.06 -1.93 0.00 0.00 178.83 177.63 2wyh s PHE 170 N -3.42 1.96 -2.10 3.99 0.08 -1.26 -3.42 117.98 113.81 2wyh s PHE 170 Ca -0.16 -0.89 0.31 0.00 0.12 0.00 0.00 56.93 56.31 2wyh s PHE 170 Cb 0.01 -1.68 1.71 0.00 -0.57 0.00 0.00 43.02 42.48 2wyh s PHE 170 CO 0.71 0.18 2.12 -1.13 -0.10 0.00 0.00 175.22 177.00 2wyh n SER 171 N -1.28 0.30 -4.25 1.36 3.41 0.69 -4.67 113.62 109.18 2wyh n SER 171 Ca -0.15 -1.11 -0.32 0.00 -0.26 0.00 0.00 58.87 57.03 2wyh n SER 171 Cb 0.67 -0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.45 2wyh n SER 171 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2wyh s GLU 172 N -2.00 3.08 0.15 4.33 8.01 -1.26 -0.36 118.70 130.66 2wyh s GLU 172 Ca 0.45 -0.85 0.03 0.00 0.01 0.00 0.00 54.97 54.61 2wyh s GLU 172 Cb 0.22 -2.35 -0.05 0.00 -4.31 0.00 0.00 34.13 27.64 2wyh s GLU 172 CO 0.36 0.20 -0.04 0.96 0.01 0.00 0.00 175.26 176.75 2wyh s ILE 173 N 0.31 0.82 -0.33 -1.63 -4.36 -0.18 -4.67 121.20 111.17 2wyh s ILE 173 Ca -0.17 -1.99 -0.18 0.00 -0.26 0.00 0.00 60.65 58.05 2wyh s ILE 173 Cb -0.17 -1.96 -0.01 0.00 1.25 0.00 0.00 42.46 41.57 2wyh s ILE 173 CO 0.08 -0.63 0.52 -0.55 0.24 0.00 0.00 174.94 174.60 2wyh s SER 174 N -3.15 6.35 -0.37 4.36 0.15 -0.17 -0.31 113.70 120.56 2wyh s SER 174 Ca 0.19 0.12 -0.13 0.00 0.70 0.00 0.00 55.95 56.83 2wyh s SER 174 Cb 0.05 -2.28 0.01 0.00 -1.71 0.00 0.00 66.02 62.09 2wyh s SER 174 CO 0.01 -0.44 0.25 0.86 1.20 0.00 0.00 173.24 175.12 2wyh s TRP 175 N 2.40 3.23 -0.18 3.44 -0.11 -0.23 -1.07 118.94 126.42 2wyh s TRP 175 Ca 0.20 -0.56 -0.06 0.00 1.22 0.00 0.00 56.10 56.90 2wyh s TRP 175 Cb -0.15 -2.51 -0.03 0.00 -1.50 0.00 0.00 33.47 29.28 2wyh s TRP 175 CO 0.12 -0.53 0.01 -1.14 -4.62 0.00 0.00 176.95 170.80 2wyh s GLN 176 N 1.66 3.75 0.63 5.86 0.74 0.18 -1.47 119.66 131.00 2wyh s GLN 176 Ca 0.05 -0.46 0.00 0.00 0.05 0.00 0.00 55.36 55.00 2wyh s GLN 176 Cb -0.18 -3.09 0.07 0.00 1.10 0.00 0.00 33.01 30.91 2wyh s GLN 176 CO 0.09 0.15 0.88 0.20 -0.55 0.00 0.00 175.29 176.05 2wyh s GLY 177 N 0.66 1.79 0.41 2.59 0.00 0.43 -0.75 107.32 112.46 2wyh s GLY 177 Ca 0.00 -1.49 0.29 0.00 0.00 0.00 0.00 44.72 43.52 2wyh s GLY 177 CO 0.02 -1.08 1.87 -0.56 0.00 0.00 0.00 173.10 173.35 2wyh h PRO 178 N -0.21 0.00 -0.17 2.90 0.13 -1.89 0.12 132.00 132.88 2wyh h PRO 178 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2wyh h PRO 178 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2wyh h PRO 178 CO 0.47 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.84 2wyh n ASP 179 N -2.55 2.77 0.00 1.44 5.75 -1.26 -4.52 116.55 118.18 2wyh n ASP 179 Ca -0.00 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 2wyh n ASP 179 Cb 0.14 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 2wyh n ASP 179 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2wyh n ASN 180 N 1.10 -1.96 -4.76 -1.12 2.85 0.03 -4.94 115.26 106.46 2wyh n ASN 180 Ca 0.17 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.23 2wyh n ASN 180 Cb 0.53 -0.33 -0.01 0.00 1.24 0.00 0.00 39.78 41.21 2wyh n ASN 180 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2wyh s SER 181 N -2.32 6.47 -0.03 1.20 0.01 -1.26 -4.75 113.70 113.02 2wyh s SER 181 Ca 0.00 2.91 0.07 0.00 1.31 0.00 0.00 55.95 60.23 2wyh s SER 181 Cb 0.00 -2.65 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 2wyh s SER 181 CO 0.00 -0.80 -0.23 -0.13 0.41 0.00 0.00 173.24 172.49 2wyh s ARG 182 N -1.36 1.96 0.21 12.44 0.52 -1.26 -0.43 118.95 131.04 2wyh s ARG 182 Ca 0.56 -0.81 0.04 0.00 -0.52 0.00 0.00 55.73 55.00 2wyh s ARG 182 Cb -0.45 -1.82 -0.05 0.00 0.52 0.00 0.00 34.95 33.14 2wyh s ARG 182 CO 0.54 0.44 -0.04 0.96 0.02 0.00 0.00 175.30 177.23 2wyh s ILE 183 N -0.41 1.17 -0.02 1.52 -4.36 -0.54 -4.96 121.20 113.60 2wyh s ILE 183 Ca 0.05 -2.06 -0.30 0.00 -0.26 0.00 0.00 60.65 58.08 2wyh s ILE 183 Cb -0.10 -2.21 -0.05 0.00 1.25 0.00 0.00 42.46 41.35 2wyh s ILE 183 CO 0.00 -0.45 1.37 -0.22 0.24 0.00 0.00 174.94 175.89 2wyh s LEU 184 N -3.28 4.30 -0.26 0.37 2.96 -0.59 -1.07 118.68 121.12 2wyh s LEU 184 Ca 0.25 2.05 -0.11 0.00 -0.22 0.00 0.00 54.13 56.10 2wyh s LEU 184 Cb 0.04 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.13 2wyh s LEU 184 CO 0.07 -0.71 0.17 -0.83 -1.32 0.00 0.00 176.35 173.73 2wyh s GLY 185 N 1.89 1.95 -0.41 7.98 0.00 0.57 -1.40 107.32 117.90 2wyh s GLY 185 Ca 0.62 -0.98 -0.11 0.00 0.00 0.00 0.00 44.72 44.25 2wyh s GLY 185 CO 0.25 0.50 0.27 1.08 0.00 0.00 0.00 173.10 175.20 2wyh s LEU 186 N 1.37 5.09 -0.14 0.66 1.02 0.27 -1.01 118.68 125.95 2wyh s LEU 186 Ca 0.07 -1.30 -0.18 0.00 0.02 0.00 0.00 54.13 52.74 2wyh s LEU 186 Cb -0.15 -2.03 -0.04 0.00 0.02 0.00 0.00 46.19 43.99 2wyh s LEU 186 CO 0.07 -0.51 0.48 -0.22 0.02 0.00 0.00 176.35 176.19 2wyh s LEU 187 N 1.51 4.24 -1.25 1.79 2.96 0.52 -1.26 118.68 127.19 2wyh s LEU 187 Ca 0.03 0.77 -0.18 0.00 -0.22 0.00 0.00 54.13 54.53 2wyh s LEU 187 Cb -0.22 -2.69 -0.00 0.00 0.50 0.00 0.00 46.19 43.78 2wyh s LEU 187 CO 0.04 -0.04 2.00 0.49 -1.32 0.00 0.00 176.35 177.52 2wyh n PHE 188 N 3.93 3.45 0.27 5.38 3.72 -0.25 -4.75 117.46 129.20 2wyh n PHE 188 Ca -0.07 -2.53 0.11 0.00 -0.05 0.00 0.00 57.45 54.91 2wyh n PHE 188 Cb 0.51 -2.43 0.75 0.00 -0.94 0.00 0.00 39.48 37.37 2wyh n PHE 188 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wyh h ALA 189 N 7.26 1.60 -0.22 4.37 0.00 -1.90 0.40 119.26 130.77 2wyh h ALA 189 Ca 0.46 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 2wyh h ALA 189 Cb 0.75 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2wyh h ALA 189 CO 1.70 0.07 -0.05 0.09 0.00 0.00 0.00 179.25 181.06 2wyh n ASN 190 N -4.03 3.04 -0.59 0.00 4.13 -1.26 -4.99 115.26 111.55 2wyh n ASN 190 Ca -0.03 -3.30 0.07 0.00 1.68 0.00 0.00 54.58 53.00 2wyh n ASN 190 Cb 0.14 -0.55 -0.04 0.00 -1.54 0.00 0.00 39.78 37.80 2wyh n ASN 190 CO 0.00 0.00 0.00 1.87 0.28 0.00 0.00 177.26 179.41 2wyh n TRP 191 N -0.92 -1.57 1.69 3.10 -0.00 0.13 -3.74 117.44 116.13 2wyh n TRP 191 Ca 0.24 0.86 0.00 0.00 -0.00 0.00 0.00 57.50 58.59 2wyh n TRP 191 Cb 0.87 -1.43 0.00 0.00 -0.00 0.00 0.00 31.31 30.75 2wyh n TRP 191 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 177.69 180.17 2wyh n TYR 192 N -3.04 0.00 0.03 5.87 0.18 -1.26 -2.94 117.16 116.00 2wyh n TYR 192 Ca -0.03 0.00 0.03 0.00 1.88 0.00 0.00 57.90 59.77 2wyh n TYR 192 Cb 0.28 -0.01 0.05 0.00 -0.38 0.00 0.00 39.34 39.28 2wyh n TYR 192 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 2wyh n SER 193 N -0.42 2.07 -0.01 9.48 3.41 -1.26 -4.37 113.62 122.52 2wyh n SER 193 Ca 0.00 -1.71 0.15 0.00 -0.26 0.00 0.00 58.87 57.05 2wyh n SER 193 Cb 0.04 -0.07 0.59 0.00 -0.26 0.00 0.00 64.21 64.51 2wyh n SER 193 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2wyh h ASN 194 N 0.99 0.18 -0.53 4.04 -1.07 -1.61 -1.42 115.58 116.16 2wyh h ASN 194 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.38 2wyh h ASN 194 Cb 0.46 -0.03 0.00 0.00 -2.07 0.00 0.00 38.32 36.68 2wyh h ASN 194 CO 0.00 0.10 0.00 0.61 0.07 0.00 0.00 177.43 178.21 2wyh n GLY 195 N -1.57 3.14 3.77 9.14 0.00 0.33 -4.82 105.19 115.18 2wyh n GLY 195 Ca 0.09 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 2wyh n GLY 195 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wyh s ASN 196 N -1.03 6.50 -1.08 1.61 2.47 -0.54 -3.98 114.94 118.89 2wyh s ASN 196 Ca 0.51 2.67 -0.19 0.00 0.42 0.00 0.00 52.86 56.27 2wyh s ASN 196 Cb 0.38 -2.64 -0.00 0.00 -1.45 0.00 0.00 41.25 37.54 2wyh s ASN 196 CO 0.17 -0.72 0.75 -0.62 -3.72 0.00 0.00 177.10 172.96 2wyh n GLU 197 N 0.39 -1.13 -2.20 0.43 1.02 -1.26 -4.89 120.64 113.00 2wyh n GLU 197 Ca 0.02 0.53 -0.42 0.00 -0.02 0.00 0.00 57.16 57.27 2wyh n GLU 197 Cb 0.43 -3.84 -0.03 0.00 -0.02 0.00 0.00 31.44 27.98 2wyh n GLU 197 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2wyh s ILE 198 N -3.38 3.57 0.70 -3.67 1.01 -1.26 -4.98 121.20 113.20 2wyh s ILE 198 Ca 0.39 1.03 -0.15 0.00 0.00 0.00 0.00 60.65 61.92 2wyh s ILE 198 Cb -0.15 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.68 2wyh s ILE 198 CO 0.87 0.03 1.19 -2.84 0.00 0.00 0.00 174.94 174.19 2wyh s PRO 199 N 1.96 2.34 -0.03 2.79 0.02 -1.26 -4.84 135.00 135.97 2wyh s PRO 199 Ca 0.64 1.70 0.07 0.00 0.02 0.00 0.00 61.00 63.43 2wyh s PRO 199 Cb -0.33 -1.86 0.15 0.00 0.02 0.00 0.00 34.50 32.48 2wyh s PRO 199 CO 0.28 -1.67 1.11 0.25 -0.33 0.00 0.00 177.00 176.65 2wyh n THR 200 N -2.54 1.24 -4.83 0.99 -2.24 -1.26 -4.58 114.28 101.06 2wyh n THR 200 Ca 0.13 -1.28 -0.25 0.00 -2.27 0.00 0.00 64.05 60.38 2wyh n THR 200 Cb 0.50 0.32 -0.16 0.00 -2.10 0.00 0.00 70.33 68.90 2wyh n THR 200 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wyh s THR 201 N -1.45 1.39 0.12 4.28 -4.23 -1.26 -4.92 115.64 109.57 2wyh s THR 201 Ca 0.13 -0.73 -0.25 0.00 -1.18 0.00 0.00 61.69 59.66 2wyh s THR 201 Cb 0.10 -1.17 -0.05 0.00 1.34 0.00 0.00 72.50 72.71 2wyh s THR 201 CO 0.05 0.40 1.64 -0.08 -0.54 0.00 0.00 174.62 176.08 2wyh h GLU 202 N 5.95 -0.37 -0.32 3.99 4.81 -1.98 0.11 114.58 126.78 2wyh h GLU 202 Ca -0.35 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 58.97 2wyh h GLU 202 Cb 1.16 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.56 2wyh h GLU 202 CO 0.48 -0.24 -0.09 0.00 -0.73 0.00 0.00 179.01 178.43 2wyh h ALA 203 N 0.46 0.20 -0.35 2.92 0.00 -2.00 0.25 119.26 120.75 2wyh h ALA 203 Ca 0.06 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 2wyh h ALA 203 Cb 0.46 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2wyh h ALA 203 CO -0.22 -0.47 -0.24 0.93 0.00 0.00 0.00 179.25 179.25 2wyh h GLU 204 N -0.01 0.69 -0.62 0.00 3.07 -1.94 -2.85 114.58 112.92 2wyh h GLU 204 Ca 0.15 -0.28 -0.07 0.00 -0.50 0.00 0.00 59.36 58.67 2wyh h GLU 204 Cb 0.25 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 2wyh h GLU 204 CO -0.34 0.87 0.11 0.00 -1.40 0.00 0.00 179.01 178.26 2wyh h ALA 205 N 1.13 1.04 0.24 3.43 0.00 -0.29 -1.26 119.26 123.54 2wyh h ALA 205 Ca 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2wyh h ALA 205 Cb 0.73 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2wyh h ALA 205 CO 0.06 0.62 -0.14 0.00 0.00 0.00 0.00 179.25 179.79 2wyh h ARG 206 N 0.94 -0.35 -0.60 0.00 3.08 -0.85 0.83 114.38 117.43 2wyh h ARG 206 Ca 0.19 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.35 2wyh h ARG 206 Cb 0.39 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.45 2wyh h ARG 206 CO 0.01 -0.23 0.26 -0.07 -1.07 0.00 0.00 179.97 178.87 2wyh h LEU 207 N -0.36 0.32 0.82 3.04 3.38 -1.39 -0.72 115.31 120.39 2wyh h LEU 207 Ca -0.02 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2wyh h LEU 207 Cb 0.30 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.07 2wyh h LEU 207 CO 0.03 0.20 -0.39 0.15 0.09 0.00 0.00 178.44 178.51 2wyh h PHE 208 N 0.48 -1.02 -0.22 1.13 3.57 -0.99 -3.04 116.94 116.85 2wyh h PHE 208 Ca 0.29 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.68 2wyh h PHE 208 Cb 0.31 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 2wyh h PHE 208 CO -0.14 -0.63 -0.23 -1.49 -2.23 0.00 0.00 178.31 173.59 2wyh h TRP 209 N -1.15 0.45 -0.89 0.41 4.06 -0.79 0.98 115.95 119.01 2wyh h TRP 209 Ca -0.11 -0.09 0.02 0.00 2.06 0.00 0.00 58.89 60.77 2wyh h TRP 209 Cb 0.84 -0.11 -0.05 0.00 -1.00 0.00 0.00 29.16 28.84 2wyh h TRP 209 CO 0.03 0.61 0.59 -0.44 -3.56 0.00 0.00 178.44 175.67 2wyh h ASP 210 N 0.37 1.01 0.07 -3.49 3.32 -1.20 1.00 116.42 117.50 2wyh h ASP 210 Ca 0.06 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 2wyh h ASP 210 Cb 0.61 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2wyh h ASP 210 CO 0.04 0.72 -0.04 0.50 -1.72 0.00 0.00 179.24 178.74 2wyh h LYS 211 N 1.18 -0.10 -0.62 3.56 3.64 -1.33 -3.22 116.57 119.70 2wyh h LYS 211 Ca 0.34 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.65 2wyh h LYS 211 Cb -0.09 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2wyh h LYS 211 CO -0.09 0.45 0.10 0.87 -2.27 0.00 0.00 179.45 178.51 2wyh h LYS 212 N -0.74 1.02 -0.26 1.90 6.56 -0.59 0.19 116.57 124.65 2wyh h LYS 212 Ca -0.01 -0.28 -0.02 0.00 -1.06 0.00 0.00 60.65 59.29 2wyh h LYS 212 Cb 0.59 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 32.12 2wyh h LYS 212 CO 0.02 0.96 0.10 -0.07 -2.06 0.00 0.00 179.45 178.39 2wyh h LEU 213 N 0.93 0.37 -0.76 2.94 3.38 -0.97 -1.06 115.31 120.15 2wyh h LEU 213 Ca 0.19 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2wyh h LEU 213 Cb 0.43 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 2wyh h LEU 213 CO 0.01 0.45 0.49 0.00 0.09 0.00 0.00 178.44 179.48 2wyh h ALA 214 N 0.93 1.00 -0.38 1.53 0.00 -1.51 0.58 119.26 121.41 2wyh h ALA 214 Ca 0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2wyh h ALA 214 Cb 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2wyh h ALA 214 CO -0.01 0.30 0.24 -0.44 0.00 0.00 0.00 179.25 179.34 2wyh h ASP 215 N 0.95 0.45 -0.13 0.00 3.32 -0.65 -1.48 116.42 118.88 2wyh h ASP 215 Ca 0.30 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.21 2wyh h ASP 215 Cb -0.00 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.44 2wyh h ASP 215 CO -0.11 0.36 -0.30 0.00 -1.72 0.00 0.00 179.24 177.47 2wyh h ALA 216 N 1.11 0.22 -0.03 3.45 0.00 -0.88 -3.13 119.26 120.00 2wyh h ALA 216 Ca 0.14 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2wyh h ALA 216 Cb -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2wyh h ALA 216 CO -0.03 0.24 -0.00 0.93 0.00 0.00 0.00 179.25 180.39 2wyh h GLU 217 N 0.04 0.04 -0.98 0.00 5.08 -0.84 -2.00 114.58 115.91 2wyh h GLU 217 Ca -0.00 -0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.53 2wyh h GLU 217 Cb 0.91 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.06 2wyh h GLU 217 CO 0.07 0.04 0.61 -0.09 -1.00 0.00 0.00 179.01 178.64 2wyh h ARG 218 N 0.04 0.74 -0.00 2.33 2.43 -1.21 -3.19 114.38 115.51 2wyh h ARG 218 Ca 0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2wyh h ARG 218 Cb 0.03 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2wyh h ARG 218 CO 0.00 0.49 -0.09 1.19 -1.51 0.00 0.00 179.97 180.05 2wyh n PHE 219 N -4.66 0.00 -2.29 2.20 3.72 -0.94 -4.10 117.46 111.40 2wyh n PHE 219 Ca 0.21 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.19 2wyh n PHE 219 Cb 0.52 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.03 2wyh n PHE 219 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wyh s ALA 220 N -0.86 3.50 -1.07 4.37 0.00 -0.80 -0.22 121.76 126.67 2wyh s ALA 220 Ca 0.03 1.00 0.28 0.00 0.00 0.00 0.00 51.96 53.27 2wyh s ALA 220 Cb 0.03 -3.48 0.98 0.00 0.00 0.00 0.00 23.12 20.64 2wyh s ALA 220 CO 0.10 -0.51 1.74 -1.13 0.00 0.00 0.00 175.76 175.95 2wyh n SER 221 N 3.59 0.23 -4.00 0.00 3.41 -1.26 -4.92 113.62 110.68 2wyh n SER 221 Ca 0.09 0.11 -0.21 0.00 -0.26 0.00 0.00 58.87 58.60 2wyh n SER 221 Cb 0.44 -0.18 -0.09 0.00 -0.26 0.00 0.00 64.21 64.12 2wyh n SER 221 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2wyh s THR 222 N -2.94 0.44 -1.38 6.66 -4.23 -1.26 -4.70 115.64 108.23 2wyh s THR 222 Ca 0.15 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.76 2wyh s THR 222 Cb 0.19 -2.48 0.18 0.00 1.34 0.00 0.00 72.50 71.73 2wyh s THR 222 CO 0.59 0.00 1.25 2.29 -0.54 0.00 0.00 174.62 178.21 2wyh n LYS 223 N -0.70 0.14 -3.16 3.99 2.85 -1.26 -4.69 118.16 115.32 2wyh n LYS 223 Ca -0.01 0.20 -0.43 0.00 -1.05 0.00 0.00 58.31 57.02 2wyh n LYS 223 Cb 0.65 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.46 2wyh n LYS 223 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 2wyh s HIS 224 N -2.62 3.08 -0.16 5.58 3.76 -1.26 -0.81 115.29 122.87 2wyh s HIS 224 Ca 0.10 -0.21 -0.14 0.00 -0.15 0.00 0.00 55.06 54.65 2wyh s HIS 224 Cb 0.07 -3.28 -0.05 0.00 1.11 0.00 0.00 32.58 30.44 2wyh s HIS 224 CO 0.17 -0.86 0.31 -0.51 -0.85 0.00 0.00 174.74 173.00 2wyh s LEU 225 N 2.65 4.24 -0.39 0.89 1.43 0.93 -4.91 118.68 123.52 2wyh s LEU 225 Ca 0.19 0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 53.66 2wyh s LEU 225 Cb -0.16 -2.41 0.01 0.00 0.03 0.00 0.00 46.19 43.66 2wyh s LEU 225 CO 0.17 0.08 0.41 -0.22 0.23 0.00 0.00 176.35 177.02 2wyh s LEU 226 N 0.51 4.68 -0.32 1.79 2.96 -1.26 -0.34 118.68 126.70 2wyh s LEU 226 Ca 0.18 -0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 53.56 2wyh s LEU 226 Cb -0.13 -2.38 0.04 0.00 0.50 0.00 0.00 46.19 44.22 2wyh s LEU 226 CO 0.05 -0.48 0.07 -0.04 -1.32 0.00 0.00 176.35 174.63 2wyh s MET 227 N 2.10 2.67 -0.58 1.98 -1.94 0.07 -4.92 119.30 118.68 2wyh s MET 227 Ca 0.12 -1.13 -0.22 0.00 -1.71 0.00 0.00 55.69 52.75 2wyh s MET 227 Cb -0.17 -3.37 0.06 0.00 2.01 0.00 0.00 34.83 33.36 2wyh s MET 227 CO 0.13 -0.61 0.86 -1.64 -0.01 0.00 0.00 175.02 173.75 2wyh s MET 228 N 1.39 3.18 -1.27 2.03 -1.94 -1.26 -1.25 119.30 120.18 2wyh s MET 228 Ca -0.02 -0.69 -0.14 0.00 -1.71 0.00 0.00 55.69 53.13 2wyh s MET 228 Cb -0.19 -4.14 0.13 0.00 2.01 0.00 0.00 34.83 32.64 2wyh s MET 228 CO 0.02 -1.55 1.67 -1.71 -0.01 0.00 0.00 175.02 173.44 2wyh n ASN 229 N 7.17 5.00 0.00 3.03 4.05 0.47 -0.52 115.26 134.46 2wyh n ASN 229 Ca -0.03 -2.98 0.00 0.00 0.45 0.00 0.00 54.58 52.02 2wyh n ASN 229 Cb 0.46 -1.61 0.00 0.00 1.23 0.00 0.00 39.78 39.86 2wyh n ASN 229 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2wyh n GLY 230 N 4.17 -1.58 0.80 8.20 0.00 -1.26 -1.48 105.19 114.06 2wyh n GLY 230 Ca 0.42 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2wyh n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wyh s ASP 232 N -1.55 6.48 -1.09 0.00 1.01 -1.26 -1.53 116.67 118.73 2wyh s ASP 232 Ca 0.06 2.63 -0.05 0.00 0.71 0.00 0.00 52.55 55.89 2wyh s ASP 232 Cb -0.00 -2.54 0.04 0.00 1.01 0.00 0.00 42.92 41.43 2wyh s ASP 232 CO 0.00 -1.02 0.27 1.41 0.21 0.00 0.00 175.17 176.04 2wyh n HIS 233 N 7.06 -1.67 -2.42 4.23 8.25 0.34 -4.89 115.22 126.12 2wyh n HIS 233 Ca 0.19 0.26 -0.42 0.00 -0.26 0.00 0.00 57.72 57.49 2wyh n HIS 233 Cb 0.41 -2.69 -0.03 0.00 1.12 0.00 0.00 29.99 28.80 2wyh n HIS 233 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2wyh s GLN 234 N -5.58 4.42 0.72 -0.41 2.00 -0.93 -5.02 119.66 114.86 2wyh s GLN 234 Ca 0.22 1.77 -0.15 0.00 -2.00 0.00 0.00 55.36 55.20 2wyh s GLN 234 Cb -0.12 -3.38 0.03 0.00 0.80 0.00 0.00 33.01 30.35 2wyh s GLN 234 CO 0.27 -0.29 1.18 -2.14 -0.50 0.00 0.00 175.29 173.81 2wyh s PRO 235 N 1.25 2.26 0.33 1.67 0.02 -1.26 -4.68 135.00 134.60 2wyh s PRO 235 Ca 0.59 1.64 -0.29 0.00 0.02 0.00 0.00 61.00 62.96 2wyh s PRO 235 Cb -0.29 -1.86 -0.11 0.00 0.02 0.00 0.00 34.50 32.26 2wyh s PRO 235 CO 0.28 -1.71 1.44 0.54 -0.33 0.00 0.00 177.00 177.21 2wyh s VAL 236 N -2.13 2.36 -0.67 3.83 0.11 -1.26 -4.92 120.40 117.72 2wyh s VAL 236 Ca 0.72 0.34 -0.27 0.00 -2.93 0.00 0.00 61.98 59.84 2wyh s VAL 236 Cb -0.26 -3.22 0.03 0.00 -1.53 0.00 0.00 36.38 31.40 2wyh s VAL 236 CO 0.45 0.07 1.20 -1.58 -3.33 0.00 0.00 175.10 171.92 2wyh s GLN 237 N -1.51 3.28 0.47 1.54 0.74 -1.26 -4.87 119.66 118.04 2wyh s GLN 237 Ca 0.54 -0.16 0.22 0.00 0.05 0.00 0.00 55.36 56.01 2wyh s GLN 237 Cb -0.44 -4.13 1.15 0.00 1.10 0.00 0.00 33.01 30.69 2wyh s GLN 237 CO 0.55 -1.94 1.97 -0.07 -0.55 0.00 0.00 175.29 175.25 2wyh h LEU 238 N 12.42 0.00 -3.65 3.68 3.38 -1.99 -2.70 115.31 126.45 2wyh h LEU 238 Ca -0.27 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.39 2wyh h LEU 238 Cb 1.06 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.62 2wyh h LEU 238 CO 1.23 0.20 0.26 -0.90 0.09 0.00 0.00 178.44 179.32 2wyh n ASP 239 N -3.80 3.32 0.09 -0.43 5.68 -1.26 -4.64 116.55 115.50 2wyh n ASP 239 Ca -0.02 -3.61 0.02 0.00 -0.50 0.00 0.00 54.79 50.69 2wyh n ASP 239 Cb 0.30 -0.73 0.38 0.00 -1.14 0.00 0.00 41.12 39.94 2wyh n ASP 239 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 2wyh h VAL 240 N 1.23 1.17 -0.15 2.12 3.04 -1.85 -2.41 116.25 119.40 2wyh h VAL 240 Ca 0.38 -0.69 0.01 0.00 -1.01 0.00 0.00 66.70 65.39 2wyh h VAL 240 Cb 2.21 1.07 -0.01 0.00 -2.01 0.00 0.00 31.29 32.56 2wyh h VAL 240 CO 0.71 0.22 0.08 0.74 -1.01 0.00 0.00 177.57 178.31 2wyh h THR 241 N 0.31 1.01 -0.66 3.17 2.02 -1.86 0.95 112.91 117.85 2wyh h THR 241 Ca 0.07 -0.06 0.06 0.00 0.77 0.00 0.00 66.41 67.25 2wyh h THR 241 Cb 0.31 0.82 -0.06 0.00 -1.74 0.00 0.00 68.15 67.48 2wyh h THR 241 CO 0.01 0.03 0.36 0.50 0.37 0.00 0.00 175.52 176.79 2wyh h LYS 242 N 0.17 0.64 -0.49 6.66 3.64 -1.86 -0.32 116.57 125.01 2wyh h LYS 242 Ca 0.06 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2wyh h LYS 242 Cb -0.00 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 2wyh h LYS 242 CO -0.03 0.42 0.28 0.00 -2.27 0.00 0.00 179.45 177.86 2wyh h ALA 243 N 1.35 0.63 -0.52 5.00 0.00 -0.94 -1.03 119.26 123.75 2wyh h ALA 243 Ca 0.30 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2wyh h ALA 243 Cb 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2wyh h ALA 243 CO -0.19 0.13 0.13 0.82 0.00 0.00 0.00 179.25 180.14 2wyh h ILE 244 N 0.65 1.24 -0.46 0.00 2.04 -0.54 -1.47 117.51 118.97 2wyh h ILE 244 Ca 0.17 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.21 2wyh h ILE 244 Cb 0.02 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 2wyh h ILE 244 CO -0.03 0.31 0.24 0.00 0.00 0.00 0.00 178.15 178.67 2wyh h ALA 245 N 1.00 0.58 -0.65 1.87 0.00 -0.86 -1.32 119.26 119.90 2wyh h ALA 245 Ca 0.16 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2wyh h ALA 245 Cb 0.34 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2wyh h ALA 245 CO 0.00 -0.10 0.33 1.25 0.00 0.00 0.00 179.25 180.73 2wyh h LEU 246 N 0.48 0.82 -0.47 0.00 5.85 -1.08 -2.32 115.31 118.59 2wyh h LEU 246 Ca 0.20 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2wyh h LEU 246 Cb 0.09 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2wyh h LEU 246 CO -0.13 0.70 0.27 0.00 -0.34 0.00 0.00 178.44 178.94 2wyh h ALA 247 N 1.16 0.60 -0.80 1.25 0.00 -0.85 -1.36 119.26 119.25 2wyh h ALA 247 Ca 0.22 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2wyh h ALA 247 Cb 0.08 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 2wyh h ALA 247 CO -0.03 0.10 0.52 -0.91 0.00 0.00 0.00 179.25 178.94 2wyh h ASN 248 N 0.62 0.83 -0.32 0.00 2.35 -1.04 -1.62 115.58 116.41 2wyh h ASN 248 Ca 0.17 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 2wyh h ASN 248 Cb 0.02 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 2wyh h ASN 248 CO -0.03 0.56 0.01 1.56 -1.65 0.00 0.00 177.43 177.88 2wyh h GLN 249 N 0.96 0.56 0.00 0.81 4.20 -0.94 -3.30 115.11 117.39 2wyh h GLN 249 Ca 0.32 -0.17 -0.10 0.00 0.06 0.00 0.00 58.65 58.76 2wyh h GLN 249 Cb 0.08 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2wyh h GLN 249 CO -0.10 0.69 -0.48 -0.07 -0.67 0.00 0.00 178.83 178.20 2wyh h LEU 250 N 0.36 0.00 -7.06 1.46 3.38 -0.82 -3.40 115.31 109.23 2wyh h LEU 250 Ca 0.09 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.44 2wyh h LEU 250 Cb 0.43 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.78 2wyh h LEU 250 CO 0.02 0.48 -0.71 -0.31 0.09 0.00 0.00 178.44 178.00 2wyh s TYR 251 N -3.50 2.38 0.56 1.13 2.02 -0.65 -4.98 117.35 114.31 2wyh s TYR 251 Ca 0.00 -2.69 0.24 0.00 -0.37 0.00 0.00 57.07 54.25 2wyh s TYR 251 Cb 0.11 -2.15 1.51 0.00 -0.40 0.00 0.00 41.96 41.04 2wyh s TYR 251 CO 0.72 -0.75 2.14 -1.35 -1.57 0.00 0.00 175.55 174.73 2wyh h PRO 252 N 6.49 0.00 -0.11 -1.71 0.11 -1.79 -2.39 132.00 132.60 2wyh h PRO 252 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wyh h PRO 252 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2wyh h PRO 252 CO 0.55 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.09 2wyh n ASP 253 N -4.17 1.24 -3.98 -2.05 8.00 -1.26 -4.83 116.55 109.50 2wyh n ASP 253 Ca 0.00 -1.62 -0.25 0.00 0.71 0.00 0.00 54.79 53.64 2wyh n ASP 253 Cb 0.23 -0.07 -0.17 0.00 -0.02 0.00 0.00 41.12 41.09 2wyh n ASP 253 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2wyh s TYR 254 N -1.86 1.39 -0.53 1.24 2.02 -0.90 -1.67 117.35 117.04 2wyh s TYR 254 Ca 0.32 -0.55 -0.18 0.00 -0.37 0.00 0.00 57.07 56.30 2wyh s TYR 254 Cb 0.17 -1.06 0.09 0.00 -0.40 0.00 0.00 41.96 40.75 2wyh s TYR 254 CO 0.26 -0.32 0.57 -2.00 -1.57 0.00 0.00 175.55 172.48 2wyh s GLU 255 N 0.93 3.04 -0.16 -0.62 2.12 0.41 -4.81 118.70 119.61 2wyh s GLU 255 Ca -0.10 -1.25 -0.23 0.00 0.36 0.00 0.00 54.97 53.75 2wyh s GLU 255 Cb -0.15 -4.18 -0.02 0.00 0.26 0.00 0.00 34.13 30.03 2wyh s GLU 255 CO 0.01 -1.27 0.73 -0.06 -0.54 0.00 0.00 175.26 174.12 2wyh s PHE 256 N 2.23 3.43 -0.02 5.30 0.08 -1.26 -0.24 117.98 127.50 2wyh s PHE 256 Ca 0.09 1.13 0.02 0.00 0.12 0.00 0.00 56.93 58.29 2wyh s PHE 256 Cb -0.24 -2.89 0.00 0.00 -0.57 0.00 0.00 43.02 39.33 2wyh s PHE 256 CO 0.08 -0.15 -0.08 0.14 -0.10 0.00 0.00 175.22 175.10 2wyh s VAL 257 N 1.80 0.73 -0.38 -0.44 -7.23 -0.34 -4.93 120.40 109.61 2wyh s VAL 257 Ca 0.34 -0.33 -0.29 0.00 -1.81 0.00 0.00 61.98 59.89 2wyh s VAL 257 Cb -0.16 -0.65 0.00 0.00 0.56 0.00 0.00 36.38 36.13 2wyh s VAL 257 CO 0.13 0.23 1.48 -2.28 -0.31 0.00 0.00 175.10 174.35 2wyh s HIS 258 N 0.18 2.30 0.00 2.82 2.46 -1.26 -0.92 115.29 120.87 2wyh s HIS 258 Ca -0.03 0.67 0.00 0.00 0.47 0.00 0.00 55.06 56.17 2wyh s HIS 258 Cb -0.08 -4.23 0.00 0.00 -0.13 0.00 0.00 32.58 28.14 2wyh s HIS 258 CO 0.00 -2.19 0.00 0.45 -2.47 0.00 0.00 174.74 170.54 2wyh n SER 259 N 8.97 1.76 -3.65 9.88 2.88 0.60 -4.74 113.62 129.31 2wyh n SER 259 Ca 0.18 -0.63 -0.10 0.00 -1.33 0.00 0.00 58.87 56.99 2wyh n SER 259 Cb 0.47 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.90 2wyh n SER 259 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wyh h PHE 261 N 2.19 0.59 -0.38 0.00 0.04 -1.98 -1.42 116.94 115.97 2wyh h PHE 261 Ca -0.31 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.42 2wyh h PHE 261 Cb 1.27 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 39.22 2wyh h PHE 261 CO 0.32 0.48 0.18 1.49 -0.60 0.00 0.00 178.31 180.18 2wyh h GLU 262 N 0.58 0.56 -0.50 1.51 4.81 -1.97 -0.60 114.58 118.97 2wyh h GLU 262 Ca 0.14 -0.09 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 2wyh h GLU 262 Cb 0.16 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2wyh h GLU 262 CO -0.01 0.50 -0.15 -0.44 -0.73 0.00 0.00 179.01 178.18 2wyh h ASP 263 N 0.48 0.99 -0.47 1.04 3.32 -1.91 -1.70 116.42 118.17 2wyh h ASP 263 Ca 0.13 -0.37 0.03 0.00 0.02 0.00 0.00 57.03 56.83 2wyh h ASP 263 Cb 0.13 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 2wyh h ASP 263 CO -0.02 1.14 0.27 0.22 -1.72 0.00 0.00 179.24 179.13 2wyh h TYR 264 N 0.83 0.50 -0.45 4.55 3.20 -1.03 -1.50 116.97 123.08 2wyh h TYR 264 Ca 0.12 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.91 2wyh h TYR 264 Cb 0.72 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 2wyh h TYR 264 CO 0.05 0.28 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.66 2wyh h LEU 265 N 0.54 0.82 -0.33 2.82 3.38 -0.97 -1.48 115.31 120.08 2wyh h LEU 265 Ca 0.19 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2wyh h LEU 265 Cb 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2wyh h LEU 265 CO -0.10 0.95 0.19 0.00 0.09 0.00 0.00 178.44 179.58 2wyh h ALA 266 N 1.12 0.41 -0.85 1.53 0.00 -1.04 -0.28 119.26 120.16 2wyh h ALA 266 Ca 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2wyh h ALA 266 Cb 0.62 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2wyh h ALA 266 CO 0.04 -0.16 0.44 -0.44 0.00 0.00 0.00 179.25 179.13 2wyh h ASP 267 N 0.40 1.09 -0.75 0.00 3.32 -1.10 -2.61 116.42 116.77 2wyh h ASP 267 Ca 0.13 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 2wyh h ASP 267 Cb -0.00 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 2wyh h ASP 267 CO -0.06 0.89 0.30 -0.07 -1.72 0.00 0.00 179.24 178.59 2wyh h LEU 268 N 1.20 1.03 -0.93 1.55 3.38 -1.05 -2.43 115.31 118.06 2wyh h LEU 268 Ca 0.30 -0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.21 2wyh h LEU 268 Cb 0.07 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.47 2wyh h LEU 268 CO -0.04 0.91 0.56 0.00 0.09 0.00 0.00 178.44 179.96 2wyh h ALA 269 N 1.15 1.38 -0.44 1.53 0.00 -0.68 0.34 119.26 122.55 2wyh h ALA 269 Ca 0.25 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.07 2wyh h ALA 269 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2wyh h ALA 269 CO -0.02 0.15 -0.23 -0.44 0.00 0.00 0.00 179.25 178.71 2wyh h ASP 270 N 0.88 0.91 0.00 0.00 3.32 -1.25 -3.39 116.42 116.90 2wyh h ASP 270 Ca 0.46 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2wyh h ASP 270 Cb 0.47 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2wyh h ASP 270 CO -0.27 1.10 -0.30 0.47 -1.72 0.00 0.00 179.24 178.52 2wyh n ASP 271 N -4.11 0.41 -4.75 6.45 8.00 -0.73 -5.03 116.55 116.80 2wyh n ASP 271 Ca 0.00 -0.60 -0.41 0.00 0.71 0.00 0.00 54.79 54.49 2wyh n ASP 271 Cb 0.45 1.01 -0.00 0.00 -0.02 0.00 0.00 41.12 42.56 2wyh n ASP 271 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wyh n LEU 272 N -1.15 4.44 -4.76 0.64 4.77 0.11 -4.84 117.00 116.20 2wyh n LEU 272 Ca 0.01 1.21 -0.35 0.00 -0.03 0.00 0.00 56.01 56.85 2wyh n LEU 272 Cb 0.09 -1.58 0.02 0.00 -2.33 0.00 0.00 43.42 39.61 2wyh n LEU 272 CO 0.11 -0.07 0.81 -2.16 -1.33 0.00 0.00 177.39 174.75 2wyh s PRO 273 N -2.07 3.19 0.42 3.23 0.04 -1.26 -4.91 135.00 133.64 2wyh s PRO 273 Ca 0.55 1.70 0.15 0.00 0.04 0.00 0.00 61.00 63.44 2wyh s PRO 273 Cb -0.50 -1.97 1.03 0.00 0.04 0.00 0.00 34.50 33.09 2wyh s PRO 273 CO 0.63 -1.00 1.93 1.05 0.04 0.00 0.00 177.00 179.64 2wyh h GLU 274 N 1.06 0.43 -4.83 4.56 9.09 -2.01 -3.40 114.58 119.48 2wyh h GLU 274 Ca -0.50 -0.03 -0.58 0.00 0.05 0.00 0.00 59.36 58.31 2wyh h GLU 274 Cb 1.28 -0.10 -0.33 0.00 -1.65 0.00 0.00 28.75 27.95 2wyh h GLU 274 CO 0.56 0.28 -0.84 -0.80 0.05 0.00 0.00 179.01 178.27 2wyh s ASN 275 N -5.99 2.28 0.30 3.06 0.01 -1.26 -5.14 114.94 108.19 2wyh s ASN 275 Ca -0.08 -0.40 0.11 0.00 -0.71 0.00 0.00 52.86 51.78 2wyh s ASN 275 Cb 0.21 -1.05 -0.05 0.00 0.41 0.00 0.00 41.25 40.77 2wyh s ASN 275 CO 0.77 0.07 -0.16 -0.76 -1.51 0.00 0.00 177.10 175.51 2wyh s LEU 276 N 0.59 2.67 0.13 0.60 1.43 -1.26 -5.11 118.68 117.73 2wyh s LEU 276 Ca -0.15 -1.05 -0.34 0.00 -1.03 0.00 0.00 54.13 51.56 2wyh s LEU 276 Cb -0.16 -1.12 -0.17 0.00 0.03 0.00 0.00 46.19 44.77 2wyh s LEU 276 CO 0.05 -0.03 1.10 -1.20 0.23 0.00 0.00 176.35 176.49 2wyh n SER 277 N -0.69 0.81 -4.78 2.29 7.64 -1.26 -4.52 113.62 113.11 2wyh n SER 277 Ca -0.05 1.14 -0.37 0.00 1.01 0.00 0.00 58.87 60.60 2wyh n SER 277 Cb 0.61 -1.12 -0.07 0.00 -1.01 0.00 0.00 64.21 62.62 2wyh n SER 277 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2wyh s THR 278 N -0.15 5.28 -0.13 0.44 2.01 -1.26 -0.99 115.64 120.84 2wyh s THR 278 Ca 0.77 0.54 -0.01 0.00 0.31 0.00 0.00 61.69 63.31 2wyh s THR 278 Cb -0.96 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 67.93 2wyh s THR 278 CO 0.53 0.48 -0.11 -0.69 -0.69 0.00 0.00 174.62 174.13 2wyh s VAL 279 N -0.16 3.22 -0.19 3.82 1.01 -0.23 -4.98 120.40 122.90 2wyh s VAL 279 Ca 0.18 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 2wyh s VAL 279 Cb -0.14 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 2wyh s VAL 279 CO 0.06 0.52 0.00 0.00 0.00 0.00 0.00 175.10 175.68 2wyh s GLN 280 N 0.28 3.68 3.00 2.72 0.00 -1.26 -0.65 119.66 127.43 2wyh s GLN 280 Ca -0.08 -0.49 0.00 0.00 -0.00 0.00 0.00 55.36 54.78 2wyh s GLN 280 Cb -0.15 -3.07 0.00 0.00 0.00 0.00 0.00 33.01 29.79 2wyh s GLN 280 CO 0.05 0.09 0.00 0.41 0.00 0.00 0.00 175.29 175.84 2wyh n GLY 281 N 4.01 -0.38 3.77 2.60 0.00 0.07 -4.90 105.19 110.36 2wyh n GLY 281 Ca -0.17 -1.09 -0.37 0.00 0.00 0.00 0.00 46.02 44.39 2wyh n GLY 281 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wyh s GLU 282 N 0.00 3.85 -0.35 1.61 -1.05 -1.26 -4.55 118.70 116.95 2wyh s GLU 282 Ca 0.00 1.69 0.02 0.00 -0.15 0.00 0.00 54.97 56.53 2wyh s GLU 282 Cb 0.00 -2.42 0.10 0.00 -0.44 0.00 0.00 34.13 31.37 2wyh s GLU 282 CO 0.00 -0.45 0.07 0.42 0.95 0.00 0.00 175.26 176.25 2wyh s ILE 283 N -1.60 2.50 -0.09 1.83 1.01 -0.52 -4.92 121.20 119.42 2wyh s ILE 283 Ca 0.62 -2.21 0.13 0.00 0.00 0.00 0.00 60.65 59.19 2wyh s ILE 283 Cb -0.26 -2.78 0.21 0.00 0.01 0.00 0.00 42.46 39.63 2wyh s ILE 283 CO 0.32 -0.57 1.11 0.35 0.00 0.00 0.00 174.94 176.15 2wyh n THR 284 N 4.34 1.29 -3.00 2.92 -2.24 -1.26 0.12 114.28 116.46 2wyh n THR 284 Ca 0.01 -1.60 -0.18 0.00 -2.27 0.00 0.00 64.05 60.01 2wyh n THR 284 Cb 0.42 0.01 0.04 0.00 -2.10 0.00 0.00 70.33 68.69 2wyh n THR 284 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2wyh n SER 285 N -0.95 -5.33 -0.18 3.42 7.64 -1.26 -4.90 113.62 112.05 2wyh n SER 285 Ca 0.11 -0.28 0.09 0.00 1.01 0.00 0.00 58.87 59.80 2wyh n SER 285 Cb 0.67 -4.11 0.39 0.00 -1.01 0.00 0.00 64.21 60.16 2wyh n SER 285 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2wyh h GLN 286 N -1.39 0.64 -1.97 1.43 7.50 -1.94 -3.08 115.11 116.30 2wyh h GLN 286 Ca -0.44 -0.04 -0.75 0.00 0.50 0.00 0.00 58.65 57.93 2wyh h GLN 286 Cb 1.30 -0.14 -0.29 0.00 0.05 0.00 0.00 27.48 28.39 2wyh h GLN 286 CO 0.46 0.42 0.80 0.39 -1.50 0.00 0.00 178.83 179.40 2wyh n GLU 287 N -4.49 3.12 -3.90 1.46 1.02 -1.26 -4.43 120.64 112.15 2wyh n GLU 287 Ca 0.12 -3.79 -0.19 0.00 -0.02 0.00 0.00 57.16 53.28 2wyh n GLU 287 Cb 0.33 -2.29 -0.06 0.00 -0.02 0.00 0.00 31.44 29.40 2wyh n GLU 287 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2wyh n THR 288 N -0.48 0.00 0.43 2.62 -2.24 -1.17 -4.95 114.28 108.49 2wyh n THR 288 Ca 0.51 -1.93 0.10 0.00 -2.27 0.00 0.00 64.05 60.46 2wyh n THR 288 Cb 0.29 0.77 0.44 0.00 -2.10 0.00 0.00 70.33 69.73 2wyh n THR 288 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2wyh n ASP 289 N -1.71 0.47 0.00 3.42 5.68 -1.23 -3.11 116.55 120.06 2wyh n ASP 289 Ca -0.02 0.62 0.00 0.00 -0.50 0.00 0.00 54.79 54.89 2wyh n ASP 289 Cb 0.49 -0.72 0.00 0.00 -1.14 0.00 0.00 41.12 39.76 2wyh n ASP 289 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wyh n GLY 290 N 0.00 0.75 0.10 6.12 0.00 -1.26 -0.16 105.19 110.75 2wyh n GLY 290 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 2wyh n GLY 290 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2wyh h TRP 291 N 0.00 0.00 -0.08 1.61 4.06 -1.95 -3.40 115.95 116.20 2wyh h TRP 291 Ca 0.00 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.85 2wyh h TRP 291 Cb 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.02 2wyh h TRP 291 CO 0.00 0.50 -0.68 0.66 -3.56 0.00 0.00 178.44 175.37 2wyh n TYR 292 N -2.90 0.27 0.20 0.49 4.01 -1.26 -4.65 117.16 113.33 2wyh n TYR 292 Ca -0.07 -1.34 0.09 0.00 -0.16 0.00 0.00 57.90 56.42 2wyh n TYR 292 Cb 0.80 -0.23 0.32 0.00 -0.31 0.00 0.00 39.34 39.91 2wyh n TYR 292 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 2wyh h THR 293 N 2.70 0.51 -1.11 -0.72 1.35 -1.93 -3.47 112.91 110.25 2wyh h THR 293 Ca -0.03 -1.35 -0.29 0.00 -0.55 0.00 0.00 66.41 64.19 2wyh h THR 293 Cb 1.27 1.95 -0.09 0.00 -1.73 0.00 0.00 68.15 69.56 2wyh h THR 293 CO 0.09 0.24 -0.30 0.18 -0.25 0.00 0.00 175.52 175.49 2wyh n LEU 294 N -3.28 -1.24 0.21 3.87 4.77 -1.26 -4.68 117.00 115.39 2wyh n LEU 294 Ca 0.01 0.24 0.06 0.00 -0.03 0.00 0.00 56.01 56.30 2wyh n LEU 294 Cb 0.52 -2.15 0.47 0.00 -2.33 0.00 0.00 43.42 39.93 2wyh n LEU 294 CO 0.35 -0.57 0.81 0.00 -1.33 0.00 0.00 177.39 176.64 2wyh h ALA 295 N 0.21 1.32 0.00 -1.18 0.00 -1.90 -2.46 119.26 115.25 2wyh h ALA 295 Ca -0.31 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2wyh h ALA 295 Cb 1.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2wyh h ALA 295 CO 0.42 0.35 0.00 0.09 0.00 0.00 0.00 179.25 180.11 2wyh n ASN 296 N -3.90 0.00 0.18 0.00 4.13 -1.16 -1.32 115.26 113.20 2wyh n ASN 296 Ca -0.02 0.17 0.16 0.00 1.68 0.00 0.00 54.58 56.57 2wyh n ASN 296 Cb 0.36 -0.29 0.78 0.00 -1.54 0.00 0.00 39.78 39.09 2wyh n ASN 296 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 2wyh h THR 297 N 0.00 0.60 -0.54 3.41 1.35 -1.36 -2.01 112.91 114.37 2wyh h THR 297 Ca 0.00 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.97 2wyh h THR 297 Cb 0.09 0.85 -0.03 0.00 -1.73 0.00 0.00 68.15 67.33 2wyh h THR 297 CO 0.00 0.00 0.37 0.00 -0.25 0.00 0.00 175.52 175.64 2wyh h ALA 298 N 1.81 2.19 -0.14 6.62 0.00 -1.45 -2.59 119.26 125.70 2wyh h ALA 298 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wyh h ALA 298 Cb 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2wyh h ALA 298 CO -0.00 -0.33 0.00 -1.13 0.00 0.00 0.00 179.25 177.79 2wyh n SER 299 N -4.45 2.41 -4.72 0.00 3.41 -0.78 -4.27 113.62 105.22 2wyh n SER 299 Ca 0.09 -1.69 -0.42 0.00 -0.26 0.00 0.00 58.87 56.59 2wyh n SER 299 Cb 0.44 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 2wyh n SER 299 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wyh s ALA 300 N -1.08 3.57 -0.95 7.33 0.00 -0.98 -3.93 121.76 125.72 2wyh s ALA 300 Ca 0.19 1.11 -0.11 0.00 0.00 0.00 0.00 51.96 53.15 2wyh s ALA 300 Cb 0.12 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.74 2wyh s ALA 300 CO 0.17 -0.59 0.64 0.54 0.00 0.00 0.00 175.76 176.53 2wyh n ARG 301 N 3.51 -1.14 -0.10 0.00 1.74 -1.26 -4.65 116.66 114.76 2wyh n ARG 301 Ca 0.10 0.59 0.11 0.00 -0.77 0.00 0.00 57.85 57.87 2wyh n ARG 301 Cb 0.43 -2.63 0.48 0.00 -1.02 0.00 0.00 32.46 29.71 2wyh n ARG 301 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2wyh h ILE 302 N -1.00 0.91 -1.04 0.55 2.04 -1.89 -1.29 117.51 115.78 2wyh h ILE 302 Ca -0.63 -0.16 0.27 0.00 1.00 0.00 0.00 64.86 65.34 2wyh h ILE 302 Cb 1.38 0.41 -0.10 0.00 -0.74 0.00 0.00 36.82 37.76 2wyh h ILE 302 CO 0.41 0.08 0.66 0.10 0.00 0.00 0.00 178.15 179.40 2wyh h TYR 303 N 0.46 0.74 -0.72 1.37 -0.00 -1.92 0.90 116.97 117.81 2wyh h TYR 303 Ca 0.29 0.03 -0.02 0.00 0.00 0.00 0.00 58.73 59.03 2wyh h TYR 303 Cb 0.51 -0.21 -0.03 0.00 0.00 0.00 0.00 36.73 37.00 2wyh h TYR 303 CO -0.00 0.06 0.38 -0.07 -0.00 0.00 0.00 178.16 178.53 2wyh h LEU 304 N 0.43 0.91 -0.52 0.10 3.38 -1.56 -1.55 115.31 116.50 2wyh h LEU 304 Ca 0.61 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 58.32 2wyh h LEU 304 Cb 1.46 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 2wyh h LEU 304 CO -0.34 0.76 -0.48 0.11 0.09 0.00 0.00 178.44 178.57 2wyh h LYS 305 N 1.00 0.65 -0.30 1.13 6.56 -0.96 0.02 116.57 124.67 2wyh h LYS 305 Ca 0.25 -0.37 -0.02 0.00 -1.06 0.00 0.00 60.65 59.45 2wyh h LYS 305 Cb 0.06 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.73 2wyh h LYS 305 CO -0.04 0.99 0.12 1.96 -2.06 0.00 0.00 179.45 180.41 2wyh h GLN 306 N 0.52 0.45 -0.42 3.15 4.20 -1.18 0.07 115.11 121.89 2wyh h GLN 306 Ca 0.03 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2wyh h GLN 306 Cb 1.03 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.71 2wyh h GLN 306 CO 0.10 0.47 0.28 0.00 -0.67 0.00 0.00 178.83 179.00 2wyh h ALA 307 N 0.96 0.53 -0.69 3.87 0.00 -1.15 -0.82 119.26 121.96 2wyh h ALA 307 Ca 0.10 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2wyh h ALA 307 Cb 0.19 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2wyh h ALA 307 CO -0.01 -0.02 0.43 -0.97 0.00 0.00 0.00 179.25 178.69 2wyh h ASN 308 N 0.57 0.72 -0.60 0.00 -1.24 -0.81 -1.27 115.58 112.94 2wyh h ASN 308 Ca 0.15 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.15 2wyh h ASN 308 Cb -0.06 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 38.80 2wyh h ASN 308 CO -0.04 0.50 0.32 0.74 -1.29 0.00 0.00 177.43 177.67 2wyh h THR 309 N 0.86 1.20 -0.18 -3.57 2.02 -0.67 -0.37 112.91 112.20 2wyh h THR 309 Ca 0.27 -0.53 0.01 0.00 0.77 0.00 0.00 66.41 66.93 2wyh h THR 309 Cb -0.01 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 2wyh h THR 309 CO -0.10 0.22 0.11 -0.09 0.37 0.00 0.00 175.52 176.03 2wyh h ARG 310 N 0.82 0.22 -0.45 6.66 2.43 -0.55 -0.61 114.38 122.90 2wyh h ARG 310 Ca 0.21 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.23 2wyh h ARG 310 Cb 0.07 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2wyh h ARG 310 CO -0.03 0.15 -0.24 0.28 -1.51 0.00 0.00 179.97 178.61 2wyh h VAL 311 N 0.23 1.27 -0.31 0.20 2.07 -1.11 -1.45 116.25 117.15 2wyh h VAL 311 Ca 0.07 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.19 2wyh h VAL 311 Cb -0.01 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 2wyh h VAL 311 CO -0.03 0.48 0.20 0.28 0.02 0.00 0.00 177.57 178.52 2wyh h SER 312 N 0.79 0.35 -0.68 0.57 0.02 -0.90 -0.15 113.55 113.55 2wyh h SER 312 Ca 0.10 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 2wyh h SER 312 Cb 0.82 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 2wyh h SER 312 CO 0.07 0.26 0.21 0.03 -1.14 0.00 0.00 176.83 176.25 2wyh h ARG 313 N 0.42 1.07 0.08 3.45 2.47 -1.09 -0.42 114.38 120.36 2wyh h ARG 313 Ca 0.12 -0.23 0.02 0.00 -1.26 0.00 0.00 59.98 58.62 2wyh h ARG 313 Cb -0.04 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.09 2wyh h ARG 313 CO -0.03 0.93 -0.22 0.37 0.56 0.00 0.00 179.97 181.58 2wyh h GLN 314 N 1.00 -0.38 -0.01 0.04 5.75 -0.78 -0.29 115.11 120.44 2wyh h GLN 314 Ca 0.22 0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.74 2wyh h GLN 314 Cb 0.31 0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.94 2wyh h GLN 314 CO -0.01 -0.25 -0.01 -0.07 -2.65 0.00 0.00 178.83 175.84 2wyh h LEU 315 N -0.39 0.02 -0.13 -2.39 3.38 -0.94 0.48 115.31 115.34 2wyh h LEU 315 Ca 0.04 -0.49 -0.17 0.00 0.09 0.00 0.00 57.88 57.35 2wyh h LEU 315 Cb 0.43 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.18 2wyh h LEU 315 CO -0.14 0.51 -0.57 -0.33 0.09 0.00 0.00 178.44 178.00 2wyh h GLU 316 N -0.46 0.62 -0.01 1.13 5.08 -1.09 -2.05 114.58 117.80 2wyh h GLU 316 Ca 0.00 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2wyh h GLU 316 Cb 0.50 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2wyh h GLU 316 CO 0.00 1.11 -0.05 0.09 -1.00 0.00 0.00 179.01 179.16 2wyh n ASN 317 N -4.15 1.45 0.04 1.42 4.13 -0.14 -4.31 115.26 113.71 2wyh n ASN 317 Ca -0.08 -1.23 0.00 0.00 1.68 0.00 0.00 54.58 54.96 2wyh n ASN 317 Cb 0.63 0.15 0.00 0.00 -1.54 0.00 0.00 39.78 39.03 2wyh n ASN 317 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2wyh n ILE 318 N 0.20 0.54 0.32 2.41 5.41 -1.08 -4.60 119.36 122.56 2wyh n ILE 318 Ca 0.04 0.18 -0.17 0.00 1.00 0.00 0.00 62.75 63.80 2wyh n ILE 318 Cb 0.18 -1.08 -0.09 0.00 -0.71 0.00 0.00 39.64 37.95 2wyh n ILE 318 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 2wyh h THR 319 N 0.00 0.39 0.12 1.39 2.02 -1.03 -2.17 112.91 113.63 2wyh h THR 319 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2wyh h THR 319 Cb 0.00 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 2wyh h THR 319 CO 0.00 0.00 -0.06 -0.33 0.37 0.00 0.00 175.52 175.50 2wyh h GLU 320 N -0.80 -0.15 -0.62 6.66 5.08 -1.58 -0.71 114.58 122.45 2wyh h GLU 320 Ca -0.07 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2wyh h GLU 320 Cb 0.63 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 2wyh h GLU 320 CO 0.11 -0.05 0.37 -1.35 -1.00 0.00 0.00 179.01 177.08 2wyh h PRO 321 N -0.22 0.68 -0.18 2.33 0.11 -1.50 0.63 132.00 133.86 2wyh h PRO 321 Ca -0.02 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 2wyh h PRO 321 Cb 0.17 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 2wyh h PRO 321 CO 0.03 0.45 0.09 -0.07 -0.21 0.00 0.00 178.00 178.29 2wyh h LEU 322 N 0.70 0.23 -0.94 2.35 3.38 -1.25 -1.91 115.31 117.87 2wyh h LEU 322 Ca 0.26 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 2wyh h LEU 322 Cb 0.08 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2wyh h LEU 322 CO -0.13 0.26 0.09 0.00 0.09 0.00 0.00 178.44 178.75 2wyh h ALA 323 N 0.98 1.13 -0.67 1.53 0.00 -0.93 0.12 119.26 121.42 2wyh h ALA 323 Ca 0.06 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.76 2wyh h ALA 323 Cb 0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2wyh h ALA 323 CO -0.01 0.57 0.42 0.00 0.00 0.00 0.00 179.25 180.24 2wyh h ALA 324 N 1.27 0.86 -0.19 0.00 0.00 -0.69 -1.87 119.26 118.64 2wyh h ALA 324 Ca 0.17 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 2wyh h ALA 324 Cb 0.36 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2wyh h ALA 324 CO 0.01 0.21 -0.68 0.52 0.00 0.00 0.00 179.25 179.30 2wyh h MET 325 N 0.84 0.77 0.00 0.00 2.07 -0.95 -3.22 114.93 114.44 2wyh h MET 325 Ca 0.26 -0.57 -0.01 0.00 -2.07 0.00 0.00 59.70 57.31 2wyh h MET 325 Cb -0.02 0.10 -0.00 0.00 -1.87 0.00 0.00 31.60 29.81 2wyh h MET 325 CO -0.09 1.19 -0.06 0.00 1.07 0.00 0.00 176.91 179.02 2wyh h ALA 326 N 0.67 1.40 -0.41 6.32 0.00 -0.41 -2.02 119.26 124.81 2wyh h ALA 326 Ca -0.02 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2wyh h ALA 326 Cb 1.29 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2wyh h ALA 326 CO 0.14 0.07 0.28 -0.92 0.00 0.00 0.00 179.25 178.82 2wyh h TYR 327 N 0.00 0.33 -0.04 0.00 3.20 -1.35 -1.09 116.97 118.01 2wyh h TYR 327 Ca -0.00 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.89 2wyh h TYR 327 Cb 0.16 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.32 2wyh h TYR 327 CO 0.00 0.18 0.03 1.49 -1.64 0.00 0.00 178.16 178.22 2wyh h GLU 328 N 0.33 0.00 0.08 1.82 4.81 -1.55 0.11 114.58 120.18 2wyh h GLU 328 Ca 0.18 -0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.10 2wyh h GLU 328 Cb 0.30 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2wyh h GLU 328 CO -0.04 0.00 -1.66 0.28 -0.73 0.00 0.00 179.01 176.86 2wyh h VAL 329 N 0.00 0.78 0.00 0.32 2.07 -1.42 -3.42 116.25 114.58 2wyh h VAL 329 Ca 0.02 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.25 2wyh h VAL 329 Cb 0.07 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 2wyh h VAL 329 CO -0.00 0.65 -1.69 0.35 0.02 0.00 0.00 177.57 176.90 2wyh n THR 330 N -3.90 0.00 -2.00 2.57 -2.24 -0.57 -4.98 114.28 103.17 2wyh n THR 330 Ca -0.31 -0.35 -0.18 0.00 -2.27 0.00 0.00 64.05 60.94 2wyh n THR 330 Cb 0.89 0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 69.38 2wyh n THR 330 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2wyh n SER 331 N -2.03 -5.10 -3.84 3.42 7.64 0.38 -4.98 113.62 109.11 2wyh n SER 331 Ca -0.02 0.24 -0.11 0.00 1.01 0.00 0.00 58.87 60.00 2wyh n SER 331 Cb 0.50 -4.40 -0.08 0.00 -1.01 0.00 0.00 64.21 59.22 2wyh n SER 331 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2wyh s THR 332 N -2.75 0.11 -0.06 0.44 -1.32 -1.26 -5.09 115.64 105.72 2wyh s THR 332 Ca 0.00 -0.87 -0.05 0.00 -1.21 0.00 0.00 61.69 59.56 2wyh s THR 332 Cb 0.00 -0.87 0.02 0.00 -1.51 0.00 0.00 72.50 70.13 2wyh s THR 332 CO 0.00 -0.48 0.15 -0.47 -2.21 0.00 0.00 174.62 171.61 2wyh s TYR 333 N -2.46 -0.16 -1.56 9.09 5.04 -1.26 -4.28 117.35 121.75 2wyh s TYR 333 Ca -0.06 0.40 -0.10 0.00 -2.44 0.00 0.00 57.07 54.87 2wyh s TYR 333 Cb -0.02 0.05 -0.04 0.00 0.35 0.00 0.00 41.96 42.30 2wyh s TYR 333 CO -0.03 -0.08 2.77 -0.35 -1.34 0.00 0.00 175.55 176.52 2wyh n PRO 334 N 3.07 3.66 -0.12 4.97 -0.04 -1.26 -4.72 135.00 140.57 2wyh n PRO 334 Ca -0.13 -2.42 -0.05 0.00 -0.04 0.00 0.00 63.50 60.86 2wyh n PRO 334 Cb 0.59 -2.86 0.03 0.00 -0.04 0.00 0.00 33.50 31.21 2wyh n PRO 334 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2wyh h HIS 335 N 5.13 0.22 -0.26 0.54 3.86 -1.98 0.28 115.15 122.94 2wyh h HIS 335 Ca 0.80 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.99 2wyh h HIS 335 Cb 0.35 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 2wyh h HIS 335 CO 1.78 0.07 -0.03 -0.44 0.86 0.00 0.00 177.93 180.18 2wyh h ASP 336 N 0.28 0.47 -0.62 2.45 3.32 -2.00 -0.34 116.42 119.98 2wyh h ASP 336 Ca 0.19 -0.34 -0.08 0.00 0.02 0.00 0.00 57.03 56.82 2wyh h ASP 336 Cb 0.19 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 2wyh h ASP 336 CO -0.21 0.69 0.07 1.56 -1.72 0.00 0.00 179.24 179.64 2wyh h GLN 337 N 0.23 1.07 -0.69 3.56 7.50 -1.90 -1.59 115.11 123.28 2wyh h GLN 337 Ca 0.07 -0.29 -0.04 0.00 0.50 0.00 0.00 58.65 58.88 2wyh h GLN 337 Cb 0.47 -0.12 -0.03 0.00 0.05 0.00 0.00 27.48 27.85 2wyh h GLN 337 CO 0.02 0.99 0.27 -0.07 -1.50 0.00 0.00 178.83 178.55 2wyh h LEU 338 N 0.99 0.95 -0.53 1.46 3.38 -0.80 -1.30 115.31 119.46 2wyh h LEU 338 Ca 0.19 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2wyh h LEU 338 Cb 0.47 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2wyh h LEU 338 CO 0.02 0.86 0.34 -0.09 0.09 0.00 0.00 178.44 179.66 2wyh h ARG 339 N 0.98 0.70 -0.48 1.13 2.43 -0.77 -0.50 114.38 117.87 2wyh h ARG 339 Ca 0.23 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 2wyh h ARG 339 Cb 0.21 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 2wyh h ARG 339 CO -0.02 0.48 0.29 -0.92 -1.51 0.00 0.00 179.97 178.28 2wyh h TYR 340 N 0.71 0.54 -0.47 2.20 3.20 -1.09 0.28 116.97 122.34 2wyh h TYR 340 Ca 0.19 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 2wyh h TYR 340 Cb -0.06 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 2wyh h TYR 340 CO -0.03 0.31 0.26 0.00 -1.64 0.00 0.00 178.16 177.06 2wyh h ALA 341 N 1.21 0.60 -0.36 1.82 0.00 -0.94 -0.72 119.26 120.88 2wyh h ALA 341 Ca 0.19 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2wyh h ALA 341 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2wyh h ALA 341 CO -0.08 0.12 -0.05 -1.49 0.00 0.00 0.00 179.25 177.75 2wyh h TRP 342 N 0.62 0.73 -0.74 0.00 4.06 -0.78 -0.49 115.95 119.36 2wyh h TRP 342 Ca 0.17 -0.15 -0.04 0.00 2.06 0.00 0.00 58.89 60.93 2wyh h TRP 342 Cb 0.04 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 27.99 2wyh h TRP 342 CO -0.02 0.79 0.31 0.87 -3.56 0.00 0.00 178.44 176.83 2wyh h LYS 343 N 0.46 1.10 -0.12 0.49 1.57 -0.83 0.69 116.57 119.92 2wyh h LYS 343 Ca 0.09 -0.19 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2wyh h LYS 343 Cb 0.54 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 2wyh h LYS 343 CO 0.03 0.89 -0.04 1.15 -0.57 0.00 0.00 179.45 180.91 2wyh h THR 344 N 1.06 0.85 -0.31 -0.16 2.02 -0.99 -2.07 112.91 113.31 2wyh h THR 344 Ca 0.25 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 2wyh h THR 344 Cb 0.20 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 2wyh h THR 344 CO -0.02 0.00 0.15 0.25 0.37 0.00 0.00 175.52 176.27 2wyh h LEU 345 N -0.02 0.41 -0.51 2.58 5.85 -0.78 -2.89 115.31 119.95 2wyh h LEU 345 Ca 0.06 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2wyh h LEU 345 Cb 0.11 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2wyh h LEU 345 CO -0.13 0.42 0.00 0.23 -0.34 0.00 0.00 178.44 178.62 2wyh n MET 346 N -4.77 0.14 0.23 1.25 2.81 0.21 -0.60 117.12 116.39 2wyh n MET 346 Ca -0.02 0.38 0.16 0.00 -1.81 0.00 0.00 57.70 56.41 2wyh n MET 346 Cb 0.11 -1.77 0.77 0.00 -0.71 0.00 0.00 33.22 31.62 2wyh n MET 346 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 2wyh h GLN 347 N 0.00 0.00 -0.02 0.03 4.20 -1.15 -0.88 115.11 117.29 2wyh h GLN 347 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wyh h GLN 347 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2wyh h GLN 347 CO 0.00 0.00 -0.06 0.09 -0.67 0.00 0.00 178.83 178.19 2wyh n ASN 348 N -2.64 1.95 0.01 1.46 3.02 0.23 -4.46 115.26 114.83 2wyh n ASN 348 Ca -0.01 -1.59 0.11 0.00 -0.03 0.00 0.00 54.58 53.07 2wyh n ASN 348 Cb 0.13 0.05 0.07 0.00 -0.61 0.00 0.00 39.78 39.42 2wyh n ASN 348 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2wyh n HIS 349 N 0.43 0.09 -1.65 3.10 8.25 -0.34 -2.49 115.22 122.61 2wyh n HIS 349 Ca 0.16 0.03 -0.44 0.00 -0.26 0.00 0.00 57.72 57.21 2wyh n HIS 349 Cb 0.44 -0.25 -0.01 0.00 1.12 0.00 0.00 29.99 31.29 2wyh n HIS 349 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2wyh n PRO 350 N -1.66 1.80 -0.27 -0.41 -0.02 -1.25 -3.09 135.00 130.09 2wyh n PRO 350 Ca 0.04 0.63 0.09 0.00 -2.02 0.00 0.00 63.50 62.24 2wyh n PRO 350 Cb 0.37 -2.13 0.23 0.00 -0.02 0.00 0.00 33.50 31.94 2wyh n PRO 350 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 2wyh h HIS 351 N 2.45 0.28 0.00 6.00 2.07 -1.30 0.15 115.15 124.80 2wyh h HIS 351 Ca -0.43 0.05 -0.01 0.00 -2.85 0.00 0.00 60.37 57.12 2wyh h HIS 351 Cb 1.31 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.29 2wyh h HIS 351 CO 0.50 -0.15 -0.06 -0.44 -3.07 0.00 0.00 177.93 174.71 2wyh h ASP 352 N 0.23 0.00 0.00 3.10 3.32 -1.87 -0.45 116.42 120.76 2wyh h ASP 352 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 2wyh h ASP 352 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 2wyh h ASP 352 CO -0.59 0.06 -0.00 0.28 -1.72 0.00 0.00 179.24 177.27 2wyh h SER 353 N 0.00 0.00 0.09 6.45 0.02 -0.96 -3.16 113.55 115.99 2wyh h SER 353 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2wyh h SER 353 Cb 0.48 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 2wyh h SER 353 CO 0.01 0.16 -0.10 -0.29 -1.14 0.00 0.00 176.83 175.46 2wyh h ILE 354 N -0.32 1.09 0.00 3.27 6.09 -1.14 -2.03 117.51 124.47 2wyh h ILE 354 Ca 0.00 -0.40 0.00 0.00 -1.37 0.00 0.00 64.86 63.09 2wyh h ILE 354 Cb 0.00 1.19 0.00 0.00 0.47 0.00 0.00 36.82 38.48 2wyh h ILE 354 CO 0.00 0.12 0.00 0.00 -3.07 0.00 0.00 178.15 175.20 2wyh n GLY 356 N -0.31 0.82 1.87 0.00 0.00 -0.76 -4.58 105.19 102.22 2wyh n GLY 356 Ca 0.01 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 2wyh n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wyh n SER 358 N -0.94 1.78 -4.92 0.00 7.64 -1.24 -4.87 113.62 111.07 2wyh n SER 358 Ca 0.48 -1.27 -0.27 0.00 1.01 0.00 0.00 58.87 58.82 2wyh n SER 358 Cb 0.96 0.02 0.07 0.00 -1.01 0.00 0.00 64.21 64.25 2wyh n SER 358 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2wyh s VAL 359 N -0.86 2.33 0.23 0.44 -7.23 -0.79 -4.78 120.40 109.74 2wyh s VAL 359 Ca 0.02 -0.17 -0.07 0.00 -1.81 0.00 0.00 61.98 59.95 2wyh s VAL 359 Cb -0.00 -3.04 0.19 0.00 0.56 0.00 0.00 36.38 34.08 2wyh s VAL 359 CO 0.01 -0.05 1.83 0.44 -0.31 0.00 0.00 175.10 177.03 2wyh h ASP 360 N -0.68 0.72 -0.81 4.85 3.32 -1.92 -2.43 116.42 119.46 2wyh h ASP 360 Ca -0.45 0.02 0.03 0.00 0.02 0.00 0.00 57.03 56.65 2wyh h ASP 360 Cb 1.31 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.70 2wyh h ASP 360 CO 0.62 0.46 0.53 0.77 -1.72 0.00 0.00 179.24 179.90 2wyh h SER 361 N 0.85 0.88 -0.26 6.45 4.64 -1.97 -2.11 113.55 122.04 2wyh h SER 361 Ca 0.35 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.64 2wyh h SER 361 Cb 0.19 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 2wyh h SER 361 CO -0.18 0.61 0.10 0.58 -0.87 0.00 0.00 176.83 177.07 2wyh h VAL 362 N 1.03 1.18 0.00 0.95 2.07 -1.76 -2.05 116.25 117.67 2wyh h VAL 362 Ca 0.32 -0.55 -0.13 0.00 0.82 0.00 0.00 66.70 67.16 2wyh h VAL 362 Cb -0.01 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2wyh h VAL 362 CO -0.09 0.18 -0.62 0.45 0.02 0.00 0.00 177.57 177.52 2wyh h HIS 363 N 0.26 0.00 -0.53 1.57 -0.00 -1.41 -1.50 115.15 113.54 2wyh h HIS 363 Ca 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.44 2wyh h HIS 363 Cb 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.58 2wyh h HIS 363 CO -0.01 0.62 0.28 0.00 -0.00 0.00 0.00 177.93 178.82 2wyh h ARG 364 N 0.00 0.75 -0.82 2.45 3.08 -1.34 -2.51 114.38 115.99 2wyh h ARG 364 Ca -0.01 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 2wyh h ARG 364 Cb 1.18 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 31.05 2wyh h ARG 364 CO 0.08 0.59 0.41 1.49 -1.07 0.00 0.00 179.97 181.48 2wyh h GLU 365 N 0.71 1.17 -0.89 0.04 4.81 -0.95 -2.77 114.58 116.70 2wyh h GLU 365 Ca 0.18 -0.16 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 2wyh h GLU 365 Cb 0.08 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.19 2wyh h GLU 365 CO -0.03 0.89 0.57 0.52 -0.73 0.00 0.00 179.01 180.24 2wyh h MET 366 N 1.16 1.07 -0.85 1.92 2.86 -1.12 -2.18 114.93 117.79 2wyh h MET 366 Ca 0.28 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.87 2wyh h MET 366 Cb 0.09 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 31.47 2wyh h MET 366 CO -0.04 0.71 0.56 0.52 1.06 0.00 0.00 176.91 179.72 2wyh h MET 367 N 1.10 1.10 -0.30 1.72 2.86 -1.16 -0.70 114.93 119.55 2wyh h MET 367 Ca 0.36 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.92 2wyh h MET 367 Cb 0.02 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 2wyh h MET 367 CO -0.12 0.73 0.16 1.15 1.06 0.00 0.00 176.91 179.88 2wyh h THR 368 N 1.13 1.14 -0.70 2.22 2.02 -1.35 -1.43 112.91 115.94 2wyh h THR 368 Ca 0.31 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 67.12 2wyh h THR 368 Cb -0.11 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 2wyh h THR 368 CO -0.07 0.15 0.45 0.03 0.37 0.00 0.00 175.52 176.45 2wyh h ARG 369 N 0.36 0.86 -0.33 6.66 3.08 -1.02 -0.46 114.38 123.54 2wyh h ARG 369 Ca 0.11 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.13 2wyh h ARG 369 Cb 0.09 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 2wyh h ARG 369 CO -0.01 0.57 0.16 0.74 -1.07 0.00 0.00 179.97 180.36 2wyh h PHE 370 N 0.89 0.30 -0.58 3.04 0.04 -0.97 -1.35 116.94 118.30 2wyh h PHE 370 Ca 0.28 0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.09 2wyh h PHE 370 Cb -0.02 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.00 2wyh h PHE 370 CO -0.04 0.16 0.34 0.93 -0.60 0.00 0.00 178.31 179.11 2wyh h GLU 371 N 0.34 0.65 -0.10 1.51 5.08 -0.77 -0.84 114.58 120.44 2wyh h GLU 371 Ca 0.14 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2wyh h GLU 371 Cb 0.05 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 2wyh h GLU 371 CO -0.09 0.43 0.05 0.87 -1.00 0.00 0.00 179.01 179.27 2wyh h LYS 372 N 0.66 0.14 -0.61 2.33 1.57 -0.81 -0.50 116.57 119.35 2wyh h LYS 372 Ca 0.24 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 2wyh h LYS 372 Cb 0.06 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2wyh h LYS 372 CO -0.12 0.16 0.28 0.00 -0.57 0.00 0.00 179.45 179.21 2wyh h ALA 373 N 0.96 0.78 -0.13 3.86 0.00 -1.14 -2.26 119.26 121.34 2wyh h ALA 373 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2wyh h ALA 373 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2wyh h ALA 373 CO -0.01 0.35 0.07 -0.92 0.00 0.00 0.00 179.25 178.75 2wyh h TYR 374 N 0.83 0.14 -0.51 0.00 3.20 -0.99 -1.41 116.97 118.23 2wyh h TYR 374 Ca 0.21 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 2wyh h TYR 374 Cb 0.13 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 2wyh h TYR 374 CO 0.00 0.09 0.06 0.93 -1.64 0.00 0.00 178.16 177.60 2wyh h GLU 375 N 0.16 0.82 0.20 1.82 4.39 -0.88 0.39 114.58 121.48 2wyh h GLU 375 Ca 0.05 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 2wyh h GLU 375 Cb -0.01 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 2wyh h GLU 375 CO -0.02 0.78 -0.10 0.28 -1.16 0.00 0.00 179.01 178.79 2wyh h VAL 376 N 0.77 0.81 -0.64 3.13 2.07 -1.25 -0.18 116.25 120.96 2wyh h VAL 376 Ca 0.16 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.70 2wyh h VAL 376 Cb 0.38 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 2wyh h VAL 376 CO 0.01 0.01 0.37 1.23 0.02 0.00 0.00 177.57 179.21 2wyh h GLY 377 N -0.29 0.93 0.94 2.17 0.00 -0.79 -2.05 103.07 103.99 2wyh h GLY 377 Ca -0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 2wyh h GLY 377 CO 0.05 0.19 0.11 0.84 0.00 0.00 0.00 176.54 177.72 2wyh h HIS 378 N 0.70 0.69 -0.35 5.60 6.17 -0.06 -1.07 115.15 126.82 2wyh h HIS 378 Ca 0.28 -0.08 0.06 0.00 0.71 0.00 0.00 60.37 61.34 2wyh h HIS 378 Cb 0.12 -0.20 -0.06 0.00 2.52 0.00 0.00 27.41 29.80 2wyh h HIS 378 CO -0.07 0.65 -0.01 -0.92 0.71 0.00 0.00 177.93 178.29 2wyh h TYR 379 N 0.53 -0.04 -0.32 5.26 3.20 -0.84 -2.03 116.97 122.74 2wyh h TYR 379 Ca 0.13 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 2wyh h TYR 379 Cb 0.30 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 2wyh h TYR 379 CO 0.02 -0.08 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.17 2wyh h LEU 380 N 0.09 0.62 -0.35 2.82 3.38 -1.11 -2.00 115.31 118.76 2wyh h LEU 380 Ca 0.17 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2wyh h LEU 380 Cb 0.24 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2wyh h LEU 380 CO -0.30 0.84 -0.16 0.00 0.09 0.00 0.00 178.44 178.91 2wyh h ALA 381 N 1.21 0.49 -0.37 1.53 0.00 -1.07 -0.57 119.26 120.48 2wyh h ALA 381 Ca 0.08 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2wyh h ALA 381 Cb 0.68 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2wyh h ALA 381 CO 0.05 0.40 0.23 0.87 0.00 0.00 0.00 179.25 180.80 2wyh h LYS 382 N 0.50 0.49 -0.37 0.00 1.57 -1.23 -0.59 116.57 116.95 2wyh h LYS 382 Ca 0.08 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2wyh h LYS 382 Cb 0.70 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 2wyh h LYS 382 CO 0.05 0.36 0.20 0.93 -0.57 0.00 0.00 179.45 180.42 2wyh h GLU 383 N 0.48 0.40 -0.43 3.15 4.39 -1.30 -2.08 114.58 119.19 2wyh h GLU 383 Ca 0.13 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 2wyh h GLU 383 Cb -0.01 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 2wyh h GLU 383 CO -0.03 0.26 0.17 0.00 -1.16 0.00 0.00 179.01 178.26 2wyh h ALA 384 N 1.18 0.56 -0.88 3.43 0.00 -0.82 -0.22 119.26 122.51 2wyh h ALA 384 Ca 0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wyh h ALA 384 Cb 0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2wyh h ALA 384 CO -0.09 0.17 0.54 0.00 0.00 0.00 0.00 179.25 179.87 2wyh h ALA 385 N 1.02 1.29 -0.33 0.00 0.00 -1.05 -1.75 119.26 118.45 2wyh h ALA 385 Ca 0.14 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 2wyh h ALA 385 Cb 0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2wyh h ALA 385 CO -0.01 0.62 -0.35 0.87 0.00 0.00 0.00 179.25 180.37 2wyh h LYS 386 N 1.21 0.75 -0.60 0.00 1.79 -1.03 -0.82 116.57 117.87 2wyh h LYS 386 Ca 0.32 -0.36 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 2wyh h LYS 386 Cb -0.07 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.55 2wyh h LYS 386 CO -0.06 0.98 0.26 1.96 -1.08 0.00 0.00 179.45 181.51 2wyh h GLN 387 N 0.63 0.88 0.09 3.15 4.20 -0.68 0.40 115.11 123.77 2wyh h GLN 387 Ca 0.06 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 2wyh h GLN 387 Cb 0.89 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.52 2wyh h GLN 387 CO 0.08 0.74 -0.04 0.82 -0.67 0.00 0.00 178.83 179.75 2wyh h ILE 388 N 0.82 1.05 -0.91 2.54 2.04 -1.22 -3.00 117.51 118.83 2wyh h ILE 388 Ca 0.20 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.55 2wyh h ILE 388 Cb 0.17 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 2wyh h ILE 388 CO -0.02 0.13 0.60 0.00 0.00 0.00 0.00 178.15 178.86 2wyh h ALA 389 N 0.51 1.18 0.00 1.87 0.00 -1.04 -1.97 119.26 119.80 2wyh h ALA 389 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2wyh h ALA 389 Cb 0.31 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wyh h ALA 389 CO 0.02 0.51 -0.06 -0.44 0.00 0.00 0.00 179.25 179.27 2wyh h ASP 390 N 1.19 0.00 0.16 0.00 3.32 -0.92 -2.18 116.42 118.00 2wyh h ASP 390 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 2wyh h ASP 390 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 2wyh h ASP 390 CO -0.09 0.06 -0.31 0.00 -1.72 0.00 0.00 179.24 177.18 2wyh n ALA 391 N -2.16 3.20 -2.07 3.45 0.00 -0.77 -4.90 120.51 117.27 2wyh n ALA 391 Ca -0.01 -0.47 -0.41 0.00 0.00 0.00 0.00 53.44 52.56 2wyh n ALA 391 Cb 0.26 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.61 2wyh n ALA 391 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wyh s ILE 392 N -2.49 4.34 -0.56 0.00 1.01 -0.82 -0.96 121.20 121.73 2wyh s ILE 392 Ca 0.23 2.05 -0.27 0.00 0.00 0.00 0.00 60.65 62.65 2wyh s ILE 392 Cb 0.19 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.35 2wyh s ILE 392 CO 0.53 0.40 1.57 -0.62 0.00 0.00 0.00 174.94 176.81 2wyh s ASP 393 N -0.49 5.88 -0.21 3.58 2.15 -0.11 -4.23 116.67 123.24 2wyh s ASP 393 Ca 0.44 0.37 0.15 0.00 0.43 0.00 0.00 52.55 53.94 2wyh s ASP 393 Cb -0.24 -2.54 0.69 0.00 -0.30 0.00 0.00 42.92 40.53 2wyh s ASP 393 CO 0.30 -1.89 1.60 0.35 -0.17 0.00 0.00 175.17 175.37 2wyh n THR 394 N 6.98 2.56 0.31 1.71 -2.24 -0.06 -4.41 114.28 119.14 2wyh n THR 394 Ca 0.15 -1.64 0.16 0.00 -2.27 0.00 0.00 64.05 60.45 2wyh n THR 394 Cb 0.50 -0.27 0.68 0.00 -2.10 0.00 0.00 70.33 69.14 2wyh n THR 394 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2wyh h ARG 395 N 2.97 0.00 0.00 -0.78 3.08 -1.89 -2.82 114.38 114.94 2wyh h ARG 395 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2wyh h ARG 395 Cb 1.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.80 2wyh h ARG 395 CO 0.38 0.00 0.00 -0.44 -1.07 0.00 0.00 179.97 178.84 2wyh h ASP 396 N 0.00 0.00 -3.11 7.04 3.32 -1.89 -3.43 116.42 118.35 2wyh h ASP 396 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 2wyh h ASP 396 Cb 0.40 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.89 2wyh h ASP 396 CO 0.00 0.00 -0.17 -0.36 -1.72 0.00 0.00 179.24 176.99 2wyh s PHE 397 N -3.42 3.69 0.66 4.55 0.08 -1.06 -4.83 117.98 117.64 2wyh s PHE 397 Ca 0.02 0.99 -0.16 0.00 0.12 0.00 0.00 56.93 57.90 2wyh s PHE 397 Cb 0.08 -2.37 0.00 0.00 -0.57 0.00 0.00 43.02 40.17 2wyh s PHE 397 CO 0.33 0.53 1.14 -1.25 -0.10 0.00 0.00 175.22 175.88 2wyh s PRO 398 N -0.69 2.68 0.59 0.24 0.04 -1.26 -4.92 135.00 131.68 2wyh s PRO 398 Ca 0.25 1.54 0.38 0.00 0.04 0.00 0.00 61.00 63.21 2wyh s PRO 398 Cb -0.17 -1.92 1.84 0.00 0.04 0.00 0.00 34.50 34.29 2wyh s PRO 398 CO 0.13 -1.37 2.15 0.52 0.04 0.00 0.00 177.00 178.47 2wyh h MET 399 N 0.11 0.00 -0.61 4.56 2.86 -1.97 -1.04 114.93 118.84 2wyh h MET 399 Ca -0.48 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 2wyh h MET 399 Cb 1.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.92 2wyh h MET 399 CO 0.53 0.00 0.00 -0.40 1.06 0.00 0.00 176.91 178.10 2wyh n ASP 400 N -3.05 2.63 -4.51 1.22 5.68 -1.26 -4.89 116.55 112.37 2wyh n ASP 400 Ca -0.01 -2.25 -0.24 0.00 -0.50 0.00 0.00 54.79 51.79 2wyh n ASP 400 Cb 0.19 -0.43 -0.10 0.00 -1.14 0.00 0.00 41.12 39.64 2wyh n ASP 400 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2wyh s SER 401 N -0.64 3.75 -0.38 -1.12 1.04 -0.40 -4.59 113.70 111.36 2wyh s SER 401 Ca 0.25 -1.01 -0.02 0.00 0.48 0.00 0.00 55.95 55.65 2wyh s SER 401 Cb 0.16 -0.38 0.10 0.00 0.10 0.00 0.00 66.02 66.00 2wyh s SER 401 CO 0.11 -0.02 0.15 -1.10 0.98 0.00 0.00 173.24 173.36 2wyh s GLN 402 N -3.55 1.98 0.52 4.02 -1.52 0.85 -4.92 119.66 117.03 2wyh s GLN 402 Ca 0.31 -1.75 -0.22 0.00 -1.95 0.00 0.00 55.36 51.75 2wyh s GLN 402 Cb -0.04 -3.47 -0.06 0.00 -0.22 0.00 0.00 33.01 29.23 2wyh s GLN 402 CO 0.16 -0.99 1.25 -2.14 -0.25 0.00 0.00 175.29 173.32 2wyh s PRO 403 N 1.12 3.34 -0.00 2.91 0.02 -1.23 -1.10 135.00 140.06 2wyh s PRO 403 Ca 0.07 1.97 -0.07 0.00 0.02 0.00 0.00 61.00 62.99 2wyh s PRO 403 Cb -0.22 -2.24 0.00 0.00 0.02 0.00 0.00 34.50 32.06 2wyh s PRO 403 CO -0.04 -0.95 0.14 -0.59 -0.33 0.00 0.00 177.00 175.22 2wyh s PHE 404 N -1.46 0.03 -0.10 6.54 -0.12 0.03 -2.49 117.98 120.40 2wyh s PHE 404 Ca 0.70 -0.09 -0.00 0.00 -0.05 0.00 0.00 56.93 57.48 2wyh s PHE 404 Cb -0.34 -0.04 -0.03 0.00 -0.63 0.00 0.00 43.02 41.99 2wyh s PHE 404 CO 0.39 -0.27 -0.08 0.08 -0.05 0.00 0.00 175.22 175.30 2wyh s VAL 405 N -1.25 3.59 -0.13 -2.49 1.01 0.28 -0.67 120.40 120.74 2wyh s VAL 405 Ca -0.13 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 2wyh s VAL 405 Cb -0.07 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 2wyh s VAL 405 CO 0.01 0.55 -0.07 -0.76 0.00 0.00 0.00 175.10 174.84 2wyh s LEU 406 N -0.24 3.09 -0.09 3.92 1.02 0.19 -2.05 118.68 124.52 2wyh s LEU 406 Ca 0.03 -0.16 0.03 0.00 0.02 0.00 0.00 54.13 54.05 2wyh s LEU 406 Cb -0.13 -1.71 -0.01 0.00 0.02 0.00 0.00 46.19 44.35 2wyh s LEU 406 CO 0.03 0.21 -0.18 -0.36 0.02 0.00 0.00 176.35 176.07 2wyh s PHE 407 N 0.08 2.65 -0.38 0.29 0.08 0.85 -1.18 117.98 120.37 2wyh s PHE 407 Ca -0.02 -0.64 -0.12 0.00 0.12 0.00 0.00 56.93 56.28 2wyh s PHE 407 Cb -0.14 -1.72 0.03 0.00 -0.57 0.00 0.00 43.02 40.62 2wyh s PHE 407 CO 0.03 -0.17 0.23 1.21 -0.10 0.00 0.00 175.22 176.42 2wyh s ASN 408 N 0.01 5.80 -0.05 1.36 2.47 -0.16 -1.29 114.94 123.07 2wyh s ASN 408 Ca -0.06 -1.02 0.18 0.00 0.42 0.00 0.00 52.86 52.37 2wyh s ASN 408 Cb -0.15 -2.04 0.60 0.00 -1.45 0.00 0.00 41.25 38.21 2wyh s ASN 408 CO 0.05 -0.41 1.50 0.35 -3.72 0.00 0.00 177.10 174.87 2wyh n THR 409 N 5.02 1.26 -3.01 -5.21 -2.24 -1.26 -1.82 114.28 107.03 2wyh n THR 409 Ca -0.12 -0.95 -0.18 0.00 -2.27 0.00 0.00 64.05 60.53 2wyh n THR 409 Cb 0.46 0.23 0.01 0.00 -2.10 0.00 0.00 70.33 68.94 2wyh n THR 409 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2wyh s SER 410 N -0.91 5.64 0.00 3.42 0.01 -1.26 -4.79 113.70 115.81 2wyh s SER 410 Ca 0.44 -0.30 0.28 0.00 1.31 0.00 0.00 55.95 57.68 2wyh s SER 410 Cb 0.26 -0.80 1.03 0.00 0.21 0.00 0.00 66.02 66.72 2wyh s SER 410 CO 0.25 -0.78 1.74 0.61 0.41 0.00 0.00 173.24 175.47 2wyh n GLY 411 N -1.91 -0.98 3.45 3.44 0.00 -1.26 -1.39 105.19 106.53 2wyh n GLY 411 Ca 0.07 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 2wyh n GLY 411 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wyh s HIS 412 N -2.61 1.91 0.32 1.61 3.76 -1.26 -4.78 115.29 114.23 2wyh s HIS 412 Ca 0.24 -1.01 -0.28 0.00 -0.15 0.00 0.00 55.06 53.85 2wyh s HIS 412 Cb 0.19 -1.24 -0.13 0.00 1.11 0.00 0.00 32.58 32.51 2wyh s HIS 412 CO 0.52 -0.06 1.16 0.45 -0.85 0.00 0.00 174.74 175.96 2wyh n SER 413 N -0.74 2.07 -4.04 1.40 2.88 -1.26 -3.74 113.62 110.18 2wyh n SER 413 Ca -0.03 1.19 -0.32 0.00 -1.33 0.00 0.00 58.87 58.39 2wyh n SER 413 Cb 0.66 -1.39 -0.15 0.00 -0.75 0.00 0.00 64.21 62.58 2wyh n SER 413 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2wyh s LYS 414 N -1.74 2.13 -0.28 -1.46 2.20 0.52 -4.90 119.74 116.21 2wyh s LYS 414 Ca 0.57 -1.27 -0.10 0.00 -0.36 0.00 0.00 55.97 54.81 2wyh s LYS 414 Cb -0.63 -2.82 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 2wyh s LYS 414 CO 0.61 -0.57 0.17 0.99 -0.36 0.00 0.00 175.35 176.19 2wyh s THR 415 N 1.16 5.05 0.24 3.43 2.01 -1.26 -1.06 115.64 125.20 2wyh s THR 415 Ca -0.08 0.02 -0.16 0.00 0.31 0.00 0.00 61.69 61.78 2wyh s THR 415 Cb -0.20 -3.43 0.01 0.00 0.01 0.00 0.00 72.50 68.90 2wyh s THR 415 CO -0.05 0.23 0.54 -0.94 -0.69 0.00 0.00 174.62 173.71 2wyh s SER 416 N 1.72 -0.17 -0.55 3.53 1.04 -0.64 -4.96 113.70 113.67 2wyh s SER 416 Ca 0.07 -0.72 -0.11 0.00 0.48 0.00 0.00 55.95 55.66 2wyh s SER 416 Cb -0.16 0.61 0.14 0.00 0.10 0.00 0.00 66.02 66.71 2wyh s SER 416 CO 0.09 -1.15 0.45 -0.69 0.98 0.00 0.00 173.24 172.92 2wyh s VAL 417 N -3.95 4.65 0.18 5.02 1.01 -1.26 -0.80 120.40 125.24 2wyh s VAL 417 Ca 0.16 -1.86 -0.31 0.00 0.00 0.00 0.00 61.98 59.97 2wyh s VAL 417 Cb -0.02 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 2wyh s VAL 417 CO 0.05 -0.84 1.41 0.00 0.00 0.00 0.00 175.10 175.71 2wyh s ALA 418 N 1.20 3.61 -0.44 5.51 0.00 -0.07 -4.75 121.76 126.81 2wyh s ALA 418 Ca 0.07 1.21 -0.14 0.00 0.00 0.00 0.00 51.96 53.09 2wyh s ALA 418 Cb -0.25 -3.54 0.06 0.00 0.00 0.00 0.00 23.12 19.39 2wyh s ALA 418 CO -0.01 -0.65 0.34 -1.21 0.00 0.00 0.00 175.76 174.24 2wyh s GLU 419 N 0.41 2.92 0.15 0.00 0.41 -1.26 -0.55 118.70 120.77 2wyh s GLU 419 Ca 0.62 -1.26 0.09 0.00 -0.41 0.00 0.00 54.97 54.00 2wyh s GLU 419 Cb -0.39 -4.03 -0.04 0.00 -1.78 0.00 0.00 34.13 27.89 2wyh s GLU 419 CO 0.36 -0.93 -0.12 -0.51 -0.49 0.00 0.00 175.26 173.57 2wyh s LEU 420 N 1.62 2.90 -0.27 1.80 1.43 0.76 -5.00 118.68 121.92 2wyh s LEU 420 Ca 0.04 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 52.57 2wyh s LEU 420 Cb -0.22 -1.64 0.09 0.00 0.03 0.00 0.00 46.19 44.44 2wyh s LEU 420 CO 0.07 0.14 0.08 -0.55 0.23 0.00 0.00 176.35 176.32 2wyh s SER 421 N -2.53 3.62 0.05 2.29 0.15 -1.26 -1.20 113.70 114.83 2wyh s SER 421 Ca 0.22 -1.33 0.01 0.00 0.70 0.00 0.00 55.95 55.55 2wyh s SER 421 Cb -0.10 -0.72 -0.04 0.00 -1.71 0.00 0.00 66.02 63.46 2wyh s SER 421 CO 0.13 -0.38 0.16 -0.76 1.20 0.00 0.00 173.24 173.59 2wyh s LEU 422 N 1.76 4.16 -0.37 3.45 1.43 0.63 -4.87 118.68 124.87 2wyh s LEU 422 Ca 0.06 0.19 -0.19 0.00 -1.03 0.00 0.00 54.13 53.15 2wyh s LEU 422 Cb -0.17 -2.74 0.00 0.00 0.03 0.00 0.00 46.19 43.32 2wyh s LEU 422 CO -0.21 0.19 0.58 -0.89 0.23 0.00 0.00 176.35 176.24 2wyh s THR 423 N -1.43 4.94 -0.10 5.49 2.01 -1.26 0.09 115.64 125.37 2wyh s THR 423 Ca 0.32 0.36 -0.26 0.00 0.31 0.00 0.00 61.69 62.42 2wyh s THR 423 Cb -0.13 -4.05 -0.27 0.00 0.01 0.00 0.00 72.50 68.06 2wyh s THR 423 CO 0.24 -0.33 0.85 -0.25 -0.69 0.00 0.00 174.62 174.45 2wyh h TRP 424 N 8.54 0.21 -3.28 4.92 -0.00 -0.97 -3.49 115.95 121.90 2wyh h TRP 424 Ca -0.27 -0.15 -0.12 0.00 -0.00 0.00 0.00 58.89 58.35 2wyh h TRP 424 Cb 1.11 -0.01 -0.19 0.00 -0.00 0.00 0.00 29.16 30.07 2wyh h TRP 424 CO 0.73 1.09 -0.35 0.21 -0.00 0.00 0.00 178.44 180.12 2wyh s LYS 425 N -2.44 0.64 -0.10 2.65 2.20 -1.23 -4.95 119.74 116.52 2wyh s LYS 425 Ca -0.17 -0.36 0.04 0.00 -0.36 0.00 0.00 55.97 55.12 2wyh s LYS 425 Cb -0.01 0.28 -0.00 0.00 -1.51 0.00 0.00 37.83 36.59 2wyh s LYS 425 CO 0.74 -0.18 -0.24 0.15 -0.36 0.00 0.00 175.35 175.46 2wyh s LYS 426 N -1.71 3.01 -0.46 4.03 1.02 -1.26 -1.06 119.74 123.32 2wyh s LYS 426 Ca -0.11 -0.88 -0.05 0.00 0.02 0.00 0.00 55.97 54.95 2wyh s LYS 426 Cb -0.05 -2.29 0.12 0.00 -0.52 0.00 0.00 37.83 35.10 2wyh s LYS 426 CO 0.01 0.19 0.28 0.71 -0.92 0.00 0.00 175.35 175.63 2wyh s TYR 427 N 0.31 3.53 0.43 3.18 2.02 0.36 -4.97 117.35 122.21 2wyh s TYR 427 Ca -0.18 -2.28 -0.24 0.00 -0.37 0.00 0.00 57.07 54.00 2wyh s TYR 427 Cb -0.18 -3.32 -0.08 0.00 -0.40 0.00 0.00 41.96 37.99 2wyh s TYR 427 CO 0.09 -0.97 1.17 -1.01 -1.57 0.00 0.00 175.55 173.26 2wyh s HIS 428 N 1.07 2.95 0.10 2.71 3.76 -1.26 -1.22 115.29 123.40 2wyh s HIS 428 Ca 0.09 1.54 -0.22 0.00 -0.15 0.00 0.00 55.06 56.32 2wyh s HIS 428 Cb -0.23 -3.39 -0.12 0.00 1.11 0.00 0.00 32.58 29.94 2wyh s HIS 428 CO -0.03 -1.44 1.73 0.74 -0.85 0.00 0.00 174.74 174.89 2wyh h PHE 429 N 2.29 0.09 0.00 1.40 -1.00 -1.87 -3.48 116.94 114.38 2wyh h PHE 429 Ca -0.49 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.29 2wyh h PHE 429 Cb 1.24 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.77 2wyh h PHE 429 CO 0.54 0.08 0.00 0.41 -1.61 0.00 0.00 178.31 177.73 2wyh n GLY 430 N -1.05 3.46 0.94 -1.45 0.00 -1.26 -2.16 105.19 103.67 2wyh n GLY 430 Ca -0.06 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 45.93 2wyh n GLY 430 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wyh n GLN 431 N 14.00 3.11 -2.89 1.61 3.00 -1.26 -5.00 117.38 129.95 2wyh n GLN 431 Ca 0.00 -2.62 -0.24 0.00 -0.01 0.00 0.00 57.00 54.13 2wyh n GLN 431 Cb 0.00 -1.70 0.01 0.00 0.00 0.00 0.00 30.24 28.56 2wyh n GLN 431 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2wyh s ARG 432 N -2.16 3.10 0.07 -1.09 0.52 -0.92 -5.06 118.95 113.42 2wyh s ARG 432 Ca 0.38 -0.36 -0.31 0.00 -0.52 0.00 0.00 55.73 54.93 2wyh s ARG 432 Cb 0.28 -2.51 -0.06 0.00 0.52 0.00 0.00 34.95 33.18 2wyh s ARG 432 CO 0.13 -0.31 1.31 -0.06 0.02 0.00 0.00 175.30 176.39 2wyh s PHE 433 N -2.62 3.27 0.31 -0.53 0.08 -1.26 -4.93 117.98 112.29 2wyh s PHE 433 Ca 0.49 1.08 0.06 0.00 0.12 0.00 0.00 56.93 58.69 2wyh s PHE 433 Cb -0.10 -3.56 0.83 0.00 -0.57 0.00 0.00 43.02 39.62 2wyh s PHE 433 CO 0.39 -1.90 1.67 -1.35 -0.10 0.00 0.00 175.22 173.93 2wyh h PRO 434 N 6.97 0.32 -0.92 0.24 0.11 -1.97 -0.70 132.00 136.04 2wyh h PRO 434 Ca -0.41 -0.02 0.21 0.00 0.11 0.00 0.00 66.00 65.89 2wyh h PRO 434 Cb 1.21 -0.07 -0.12 0.00 0.11 0.00 0.00 31.00 32.12 2wyh h PRO 434 CO 0.85 0.21 0.46 -0.22 -0.21 0.00 0.00 178.00 179.09 2wyh h LYS 435 N 0.33 0.48 -0.41 1.05 3.64 -1.98 0.50 116.57 120.17 2wyh h LYS 435 Ca 0.61 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.81 2wyh h LYS 435 Cb 1.25 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2wyh h LYS 435 CO -0.59 0.32 -0.33 0.93 -2.27 0.00 0.00 179.45 177.51 2wyh h GLU 436 N 0.50 0.95 -0.52 1.90 5.08 -1.52 -1.42 114.58 119.54 2wyh h GLU 436 Ca 0.57 -0.47 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 2wyh h GLU 436 Cb 1.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 2wyh h GLU 436 CO -0.48 1.13 -0.05 0.28 -1.00 0.00 0.00 179.01 178.89 2wyh h VAL 437 N 0.78 1.27 -0.36 3.13 2.07 -1.04 -2.25 116.25 119.85 2wyh h VAL 437 Ca 0.07 -1.17 0.04 0.00 0.82 0.00 0.00 66.70 66.46 2wyh h VAL 437 Cb 0.92 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 2wyh h VAL 437 CO 0.09 0.41 0.13 0.22 0.02 0.00 0.00 177.57 178.44 2wyh h TYR 438 N 0.83 0.23 -0.91 1.57 3.20 0.03 -2.44 116.97 119.48 2wyh h TYR 438 Ca 0.14 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.06 2wyh h TYR 438 Cb 0.59 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.76 2wyh h TYR 438 CO 0.04 0.10 0.59 1.96 -1.64 0.00 0.00 178.16 179.21 2wyh h GLN 439 N 0.28 1.12 -0.71 1.82 4.20 -1.08 -1.45 115.11 119.29 2wyh h GLN 439 Ca 0.16 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.81 2wyh h GLN 439 Cb 0.13 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 27.63 2wyh h GLN 439 CO -0.16 0.74 0.47 1.49 -0.67 0.00 0.00 178.83 180.70 2wyh h GLU 440 N 1.15 0.94 -0.52 1.46 4.81 -1.11 -0.93 114.58 120.39 2wyh h GLU 440 Ca 0.36 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.46 2wyh h GLU 440 Cb -0.02 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.13 2wyh h GLU 440 CO -0.11 0.63 0.04 0.00 -0.73 0.00 0.00 179.01 178.84 2wyh h ALA 441 N 1.26 0.69 -0.35 2.92 0.00 -0.95 -1.77 119.26 121.06 2wyh h ALA 441 Ca 0.26 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2wyh h ALA 441 Cb -0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 2wyh h ALA 441 CO -0.06 0.46 0.12 1.96 0.00 0.00 0.00 179.25 181.74 2wyh h GLN 442 N 0.76 0.26 -0.39 0.00 4.20 -1.00 -1.96 115.11 116.99 2wyh h GLN 442 Ca 0.15 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 2wyh h GLN 442 Cb 0.46 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2wyh h GLN 442 CO 0.02 0.17 0.04 0.93 -0.67 0.00 0.00 178.83 179.32 2wyh h GLU 443 N 0.27 0.60 -0.00 1.46 5.08 -0.99 0.16 114.58 121.16 2wyh h GLU 443 Ca 0.16 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2wyh h GLU 443 Cb 0.13 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2wyh h GLU 443 CO -0.16 0.59 0.00 -0.92 -1.00 0.00 0.00 179.01 177.51 2wyh h TYR 444 N 0.57 0.00 -0.64 4.33 3.20 -0.85 -1.64 116.97 121.94 2wyh h TYR 444 Ca 0.13 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 2wyh h TYR 444 Cb 0.30 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 2wyh h TYR 444 CO 0.01 0.00 0.18 -0.07 -1.64 0.00 0.00 178.16 176.65 2wyh h LEU 445 N -0.00 0.92 -1.07 2.82 3.38 -0.95 -2.68 115.31 117.72 2wyh h LEU 445 Ca 0.00 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2wyh h LEU 445 Cb 0.00 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2wyh h LEU 445 CO -0.00 0.87 0.31 0.00 0.09 0.00 0.00 178.44 179.71 2wyh h ALA 446 N 1.25 1.28 -0.01 1.53 0.00 -0.83 -2.83 119.26 119.65 2wyh h ALA 446 Ca 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2wyh h ALA 446 Cb 0.30 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2wyh h ALA 446 CO -0.00 0.55 -0.06 2.89 0.00 0.00 0.00 179.25 182.63 2wyh n ARG 447 N -4.33 1.23 -2.21 0.00 0.00 -0.63 -4.90 116.66 105.81 2wyh n ARG 447 Ca 0.06 -0.57 -0.42 0.00 -0.00 0.00 0.00 57.85 56.92 2wyh n ARG 447 Cb 0.14 -1.49 -0.03 0.00 -0.00 0.00 0.00 32.46 31.09 2wyh n ARG 447 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2wyh s LEU 448 N -2.17 4.32 -0.04 2.89 0.20 -1.04 -4.89 118.68 117.96 2wyh s LEU 448 Ca 0.36 2.13 0.07 0.00 0.69 0.00 0.00 54.13 57.38 2wyh s LEU 448 Cb 0.21 -3.56 -0.10 0.00 -0.43 0.00 0.00 46.19 42.31 2wyh s LEU 448 CO 0.40 -0.72 0.09 -1.54 -0.29 0.00 0.00 176.35 174.29 2wyh n SER 449 N 5.28 3.29 -4.90 3.68 3.41 -1.26 -5.05 113.62 118.07 2wyh n SER 449 Ca 0.13 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.46 2wyh n SER 449 Cb 0.43 0.98 0.04 0.00 -0.26 0.00 0.00 64.21 65.41 2wyh n SER 449 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2wyh s GLN 450 N -2.33 2.77 0.07 4.33 -0.21 -1.26 -5.08 119.66 117.95 2wyh s GLN 450 Ca -0.03 0.16 0.03 0.00 0.02 0.00 0.00 55.36 55.54 2wyh s GLN 450 Cb 0.03 -2.14 -0.04 0.00 1.00 0.00 0.00 33.01 31.86 2wyh s GLN 450 CO 0.30 -0.94 0.05 -1.12 -2.12 0.00 0.00 175.29 171.46 2wyh s SER 451 N -4.36 5.37 0.28 5.90 0.01 -0.39 -4.87 113.70 115.63 2wyh s SER 451 Ca 0.57 -0.04 -0.29 0.00 1.31 0.00 0.00 55.95 57.49 2wyh s SER 451 Cb -0.11 -1.40 -0.09 0.00 0.21 0.00 0.00 66.02 64.63 2wyh s SER 451 CO 0.48 0.19 1.02 -0.36 0.41 0.00 0.00 173.24 174.98 2wyh s PHE 452 N -1.32 3.73 0.05 2.43 0.08 -1.26 -0.53 117.98 121.15 2wyh s PHE 452 Ca 0.27 1.79 0.00 0.00 0.12 0.00 0.00 56.93 59.11 2wyh s PHE 452 Cb -0.12 -3.12 -0.03 0.00 -0.57 0.00 0.00 43.02 39.18 2wyh s PHE 452 CO 0.19 -0.09 -0.04 -0.65 -0.10 0.00 0.00 175.22 174.53 2wyh s GLN 453 N -1.47 0.56 -0.15 0.44 -0.21 -0.15 -4.88 119.66 113.80 2wyh s GLN 453 Ca 0.45 -1.03 -0.03 0.00 0.02 0.00 0.00 55.36 54.77 2wyh s GLN 453 Cb -0.28 0.06 -0.02 0.00 1.00 0.00 0.00 33.01 33.76 2wyh s GLN 453 CO 0.35 -0.06 -0.06 0.42 -2.12 0.00 0.00 175.29 173.82 2wyh s ILE 454 N -2.95 3.66 0.22 1.08 -1.09 -1.26 -1.15 121.20 119.72 2wyh s ILE 454 Ca -0.00 -0.44 0.09 0.00 -2.23 0.00 0.00 60.65 58.07 2wyh s ILE 454 Cb 0.01 -2.59 -0.05 0.00 -1.58 0.00 0.00 42.46 38.25 2wyh s ILE 454 CO -0.06 0.50 -0.17 0.27 -1.23 0.00 0.00 174.94 174.26 2wyh s ILE 455 N 0.38 1.98 0.00 2.92 -4.36 -0.08 -0.76 121.20 121.29 2wyh s ILE 455 Ca -0.06 -2.22 0.00 0.00 -0.26 0.00 0.00 60.65 58.11 2wyh s ILE 455 Cb -0.15 -2.09 0.00 0.00 1.25 0.00 0.00 42.46 41.47 2wyh s ILE 455 CO 0.04 -0.49 0.00 -0.90 0.24 0.00 0.00 174.94 173.83 2wyh n ASP 456 N -0.34 0.19 0.24 4.36 5.68 -0.78 -0.91 116.55 124.99 2wyh n ASP 456 Ca -0.08 -0.85 0.11 0.00 -0.50 0.00 0.00 54.79 53.48 2wyh n ASP 456 Cb 0.60 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.19 2wyh n ASP 456 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2wyh h THR 457 N 0.08 0.60 -0.06 2.12 1.35 -1.90 -1.28 112.91 113.82 2wyh h THR 457 Ca 0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 2wyh h THR 457 Cb 0.00 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 2wyh h THR 457 CO 0.00 0.17 0.00 -1.54 -0.25 0.00 0.00 175.52 173.90 2wyh n SER 458 N -3.57 1.22 0.00 5.36 3.41 -1.26 -4.74 113.62 114.03 2wyh n SER 458 Ca -0.01 -1.49 0.00 0.00 -0.26 0.00 0.00 58.87 57.11 2wyh n SER 458 Cb 0.32 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2wyh n SER 458 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wyh n GLY 459 N 1.10 0.90 3.71 5.00 0.00 -0.48 -5.01 105.19 110.40 2wyh n GLY 459 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2wyh n GLY 459 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wyh s GLN 460 N -0.20 4.33 0.33 1.61 0.74 -1.26 -4.71 119.66 120.50 2wyh s GLN 460 Ca 0.00 1.98 -0.28 0.00 0.05 0.00 0.00 55.36 57.11 2wyh s GLN 460 Cb 0.00 -3.36 -0.09 0.00 1.10 0.00 0.00 33.01 30.65 2wyh s GLN 460 CO 0.00 -0.44 1.17 0.08 -0.55 0.00 0.00 175.29 175.54 2wyh s VAL 461 N 1.48 3.22 -0.54 1.34 1.01 -1.26 -1.87 120.40 123.78 2wyh s VAL 461 Ca 0.63 1.17 -0.18 0.00 0.00 0.00 0.00 61.98 63.60 2wyh s VAL 461 Cb -0.34 -3.72 0.09 0.00 0.00 0.00 0.00 36.38 32.41 2wyh s VAL 461 CO 0.29 0.23 0.61 -0.13 0.00 0.00 0.00 175.10 176.11 2wyh s ARG 462 N -1.78 3.05 0.46 2.72 0.52 0.06 -4.95 118.95 119.04 2wyh s ARG 462 Ca 0.49 -1.26 0.25 0.00 -0.52 0.00 0.00 55.73 54.70 2wyh s ARG 462 Cb -0.33 -4.21 1.06 0.00 0.52 0.00 0.00 34.95 31.99 2wyh s ARG 462 CO 0.43 -1.36 1.89 -1.00 0.02 0.00 0.00 175.30 175.28 2wyh h PRO 463 N 9.03 0.00 0.00 3.54 0.13 -1.95 -2.90 132.00 139.85 2wyh h PRO 463 Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 2wyh h PRO 463 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 2wyh h PRO 463 CO 1.03 0.19 -0.06 0.93 -0.23 0.00 0.00 178.00 179.86 2wyh h GLU 464 N 0.00 0.00 -6.96 0.86 3.07 -1.96 -3.45 114.58 106.14 2wyh h GLU 464 Ca -0.00 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.32 2wyh h GLU 464 Cb 0.65 0.00 0.10 0.00 -0.84 0.00 0.00 28.75 28.66 2wyh h GLU 464 CO 0.02 0.06 0.69 0.00 -1.40 0.00 0.00 179.01 178.39 2wyh s ALA 465 N -3.96 3.34 -0.22 3.43 0.00 -1.10 -4.66 121.76 118.60 2wyh s ALA 465 Ca -0.02 1.42 0.01 0.00 0.00 0.00 0.00 51.96 53.38 2wyh s ALA 465 Cb 0.11 -3.56 0.05 0.00 0.00 0.00 0.00 23.12 19.72 2wyh s ALA 465 CO 0.53 -1.03 -0.08 -2.00 0.00 0.00 0.00 175.76 173.18 2wyh s GLU 466 N -2.27 1.87 -0.27 0.00 2.12 -0.33 -4.99 118.70 114.82 2wyh s GLU 466 Ca 0.57 -0.99 -0.29 0.00 0.36 0.00 0.00 54.97 54.63 2wyh s GLU 466 Cb -0.43 -2.57 -0.01 0.00 0.26 0.00 0.00 34.13 31.39 2wyh s GLU 466 CO 0.56 -0.53 1.43 0.42 -0.54 0.00 0.00 175.26 176.60 2wyh s ILE 467 N 1.35 3.96 -0.01 -3.70 -1.09 -1.26 -1.38 121.20 119.07 2wyh s ILE 467 Ca -0.05 1.08 0.06 0.00 -2.23 0.00 0.00 60.65 59.51 2wyh s ILE 467 Cb -0.18 -3.99 -0.24 0.00 -1.58 0.00 0.00 42.46 36.47 2wyh s ILE 467 CO -0.07 -0.42 0.78 -0.07 -1.23 0.00 0.00 174.94 173.94 2wyh h LEU 468 N 11.25 0.14 0.00 2.97 3.38 -1.01 -3.49 115.31 128.55 2wyh h LEU 468 Ca -0.29 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.44 2wyh h LEU 468 Cb 1.12 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2wyh h LEU 468 CO 1.02 1.21 0.00 0.61 0.09 0.00 0.00 178.44 181.37 2wyh n GLY 469 N 1.60 0.33 3.32 0.83 0.00 -1.05 -5.00 105.19 105.21 2wyh n GLY 469 Ca -0.16 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.70 2wyh n GLY 469 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wyh s THR 470 N -2.00 1.76 0.28 2.61 -4.23 -1.26 -0.89 115.64 111.91 2wyh s THR 470 Ca 0.00 -1.83 -0.17 0.00 -1.18 0.00 0.00 61.69 58.51 2wyh s THR 470 Cb 0.00 -1.76 0.02 0.00 1.34 0.00 0.00 72.50 72.09 2wyh s THR 470 CO 0.00 -0.27 0.64 -0.94 -0.54 0.00 0.00 174.62 173.51 2wyh s SER 471 N -2.50 -0.13 -0.13 3.99 1.04 -0.61 -4.99 113.70 110.36 2wyh s SER 471 Ca 0.13 -0.80 -0.01 0.00 0.48 0.00 0.00 55.95 55.75 2wyh s SER 471 Cb -0.06 0.70 -0.02 0.00 0.10 0.00 0.00 66.02 66.74 2wyh s SER 471 CO 0.06 -1.32 -0.12 -0.63 0.98 0.00 0.00 173.24 172.21 2wyh s ILE 472 N -3.74 3.15 -0.02 -1.02 1.01 -1.26 -0.84 121.20 118.49 2wyh s ILE 472 Ca 0.16 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.19 2wyh s ILE 472 Cb -0.04 -2.33 0.02 0.00 0.01 0.00 0.00 42.46 40.12 2wyh s ILE 472 CO 0.09 0.52 0.01 0.00 0.00 0.00 0.00 174.94 175.56 2wyh s ALA 473 N 0.38 0.12 0.31 9.38 0.00 -0.52 -4.96 121.76 126.47 2wyh s ALA 473 Ca -0.10 0.17 -0.29 0.00 0.00 0.00 0.00 51.96 51.74 2wyh s ALA 473 Cb -0.16 -0.19 -0.13 0.00 0.00 0.00 0.00 23.12 22.65 2wyh s ALA 473 CO 0.05 -0.06 1.33 0.34 0.00 0.00 0.00 175.76 177.42 2wyh n PHE 474 N 3.80 2.25 -3.91 0.00 7.35 -1.26 -0.68 117.46 125.00 2wyh n PHE 474 Ca -0.23 0.51 -0.10 0.00 -0.76 0.00 0.00 57.45 56.87 2wyh n PHE 474 Cb 0.53 -2.43 -0.01 0.00 0.35 0.00 0.00 39.48 37.92 2wyh n PHE 474 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2wyh s ASP 475 N -0.11 0.19 -0.02 -2.13 -1.08 0.03 -4.86 116.67 108.69 2wyh s ASP 475 Ca 0.59 -1.13 -0.27 0.00 -0.52 0.00 0.00 52.55 51.23 2wyh s ASP 475 Cb -0.59 0.75 0.06 0.00 -1.46 0.00 0.00 42.92 41.68 2wyh s ASP 475 CO 0.58 -1.47 0.60 -0.72 0.52 0.00 0.00 175.17 174.68 2wyh s TYR 476 N -2.95 -0.55 0.07 -5.34 -0.85 -1.26 -0.83 117.35 105.65 2wyh s TYR 476 Ca 0.19 0.86 0.07 0.00 -0.52 0.00 0.00 57.07 57.67 2wyh s TYR 476 Cb -0.03 0.37 -0.04 0.00 0.38 0.00 0.00 41.96 42.64 2wyh s TYR 476 CO 0.13 -0.60 -0.13 -0.51 -1.52 0.00 0.00 175.55 172.92 2wyh s ASP 477 N -1.44 4.20 -0.63 -0.18 1.01 -0.49 -4.95 116.67 114.19 2wyh s ASP 477 Ca -0.10 -0.38 0.04 0.00 0.71 0.00 0.00 52.55 52.83 2wyh s ASP 477 Cb -0.01 -0.77 0.15 0.00 1.01 0.00 0.00 42.92 43.30 2wyh s ASP 477 CO 0.06 0.22 0.40 -0.76 0.21 0.00 0.00 175.17 175.30 2wyh s LEU 478 N -1.85 4.64 0.76 1.23 1.43 -1.26 -0.72 118.68 122.91 2wyh s LEU 478 Ca 0.18 -3.51 -0.15 0.00 -1.03 0.00 0.00 54.13 49.62 2wyh s LEU 478 Cb -0.11 -1.65 0.06 0.00 0.03 0.00 0.00 46.19 44.52 2wyh s LEU 478 CO 0.10 -0.15 1.21 -2.65 0.23 0.00 0.00 176.35 175.09 2wyh n PRO 479 N 2.44 0.44 0.20 1.29 -0.02 -1.26 -4.93 135.00 133.16 2wyh n PRO 479 Ca 0.14 0.22 0.04 0.00 -2.02 0.00 0.00 63.50 61.87 2wyh n PRO 479 Cb 0.34 -2.45 0.41 0.00 -0.02 0.00 0.00 33.50 31.78 2wyh n PRO 479 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2wyh h LYS 480 N -0.51 0.00 0.00 -0.52 1.79 -1.99 -3.35 116.57 112.00 2wyh h LYS 480 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 2wyh h LYS 480 Cb 1.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 2wyh h LYS 480 CO 0.48 0.31 -0.01 0.54 -1.08 0.00 0.00 179.45 179.69 2wyh n ARG 481 N -4.14 2.14 -3.15 3.15 5.12 -1.26 -5.07 116.66 113.45 2wyh n ARG 481 Ca -0.02 -1.32 -0.08 0.00 -1.93 0.00 0.00 57.85 54.50 2wyh n ARG 481 Cb 0.36 -0.90 0.01 0.00 -1.16 0.00 0.00 32.46 30.76 2wyh n ARG 481 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2wyh n SER 482 N -0.43 -1.45 -4.78 0.55 3.41 -1.26 -5.17 113.62 104.49 2wyh n SER 482 Ca 0.01 -2.26 -0.32 0.00 -0.26 0.00 0.00 58.87 56.04 2wyh n SER 482 Cb 0.34 2.49 0.06 0.00 -0.26 0.00 0.00 64.21 66.84 2wyh n SER 482 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2wyh s PHE 483 N -3.80 2.76 0.50 7.33 5.36 -1.26 -4.28 117.98 124.59 2wyh s PHE 483 Ca 0.15 1.52 -0.21 0.00 -0.96 0.00 0.00 56.93 57.43 2wyh s PHE 483 Cb -0.03 -3.05 -0.09 0.00 -0.34 0.00 0.00 43.02 39.51 2wyh s PHE 483 CO 0.11 -1.54 0.77 2.89 -1.46 0.00 0.00 175.22 175.99 2wyh n ARG 484 N -2.84 0.86 -3.85 10.12 1.85 -1.26 -4.50 116.66 117.04 2wyh n ARG 484 Ca 0.09 0.32 -0.30 0.00 -1.00 0.00 0.00 57.85 56.96 2wyh n ARG 484 Cb 0.53 -1.86 -0.14 0.00 -1.05 0.00 0.00 32.46 29.93 2wyh n ARG 484 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2wyh s GLU 485 N -2.09 1.24 0.36 2.89 2.02 0.10 -4.98 118.70 118.24 2wyh s GLU 485 Ca 0.67 -1.73 -0.25 0.00 0.02 0.00 0.00 54.97 53.69 2wyh s GLU 485 Cb -0.51 -2.62 -0.10 0.00 0.10 0.00 0.00 34.13 31.00 2wyh s GLU 485 CO 0.54 -1.02 0.95 -1.25 0.02 0.00 0.00 175.26 174.50 2wyh s PRO 486 N 0.88 4.46 0.20 0.39 0.04 -1.26 -1.39 135.00 138.32 2wyh s PRO 486 Ca 0.13 1.28 -0.20 0.00 0.04 0.00 0.00 61.00 62.25 2wyh s PRO 486 Cb -0.20 -2.61 0.04 0.00 0.04 0.00 0.00 34.50 31.77 2wyh s PRO 486 CO -0.11 0.17 0.60 1.52 0.04 0.00 0.00 177.00 179.21 2wyh s TYR 487 N -1.78 -0.28 -0.25 0.56 -0.85 -0.01 -2.54 117.35 112.21 2wyh s TYR 487 Ca 0.54 -0.05 -0.12 0.00 -0.52 0.00 0.00 57.07 56.93 2wyh s TYR 487 Cb -0.16 0.52 -0.05 0.00 0.38 0.00 0.00 41.96 42.66 2wyh s TYR 487 CO 0.21 -0.97 0.22 -0.06 -1.52 0.00 0.00 175.55 173.43 2wyh s PHE 488 N -3.84 3.29 -0.14 -3.49 0.08 -0.36 -0.79 117.98 112.74 2wyh s PHE 488 Ca 0.07 0.27 -0.08 0.00 0.12 0.00 0.00 56.93 57.31 2wyh s PHE 488 Cb -0.02 -2.36 -0.04 0.00 -0.57 0.00 0.00 43.02 40.03 2wyh s PHE 488 CO -0.04 -0.02 0.15 0.00 -0.10 0.00 0.00 175.22 175.20 2wyh s ALA 489 N 1.35 3.82 -0.33 5.36 0.00 0.14 -0.48 121.76 131.62 2wyh s ALA 489 Ca 0.10 -0.64 -0.29 0.00 0.00 0.00 0.00 51.96 51.13 2wyh s ALA 489 Cb -0.14 -2.04 0.02 0.00 0.00 0.00 0.00 23.12 20.95 2wyh s ALA 489 CO 0.07 0.49 1.12 0.42 0.00 0.00 0.00 175.76 177.85 2wyh s ILE 490 N -0.64 4.42 -0.12 0.00 -1.09 -0.22 -1.43 121.20 122.12 2wyh s ILE 490 Ca 0.13 1.62 -0.03 0.00 -2.23 0.00 0.00 60.65 60.14 2wyh s ILE 490 Cb -0.12 -4.40 -0.03 0.00 -1.58 0.00 0.00 42.46 36.33 2wyh s ILE 490 CO 0.03 -0.53 -0.00 -0.54 -1.23 0.00 0.00 174.94 172.66 2wyh s LYS 491 N 3.81 3.37 -0.23 2.79 -0.14 -0.02 -0.23 119.74 129.08 2wyh s LYS 491 Ca 0.47 -0.44 -0.03 0.00 -1.36 0.00 0.00 55.97 54.61 2wyh s LYS 491 Cb -0.12 -2.89 0.00 0.00 -1.68 0.00 0.00 37.83 33.14 2wyh s LYS 491 CO 0.18 0.48 -0.04 0.08 -0.76 0.00 0.00 175.35 175.29 2wyh s VAL 492 N -0.27 3.25 -0.18 3.17 1.01 0.11 -1.57 120.40 125.92 2wyh s VAL 492 Ca 0.06 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 2wyh s VAL 492 Cb -0.12 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 2wyh s VAL 492 CO 0.02 0.33 0.28 -0.60 0.00 0.00 0.00 175.10 175.13 2wyh s ARG 493 N 1.43 4.23 0.16 2.72 6.06 -0.07 -0.27 118.95 133.20 2wyh s ARG 493 Ca 0.04 0.05 -0.19 0.00 -2.50 0.00 0.00 55.73 53.13 2wyh s ARG 493 Cb -0.15 -3.45 0.04 0.00 0.06 0.00 0.00 34.95 31.45 2wyh s ARG 493 CO -0.03 0.19 0.50 -0.48 -2.50 0.00 0.00 175.30 172.97 2wyh s LEU 494 N 0.64 0.01 -0.07 -0.88 2.34 -0.34 -0.30 118.68 120.09 2wyh s LEU 494 Ca 0.15 -0.28 0.01 0.00 0.06 0.00 0.00 54.13 54.08 2wyh s LEU 494 Cb -0.13 2.16 -0.03 0.00 -0.56 0.00 0.00 46.19 47.63 2wyh s LEU 494 CO 0.04 -0.95 -0.08 -0.13 -1.06 0.00 0.00 176.35 174.16 2wyh s ARG 495 N -3.81 2.77 -0.29 1.48 0.52 -0.48 -0.17 118.95 118.97 2wyh s ARG 495 Ca 0.04 -0.58 -0.01 0.00 -0.52 0.00 0.00 55.73 54.67 2wyh s ARG 495 Cb 0.00 -2.57 0.09 0.00 0.52 0.00 0.00 34.95 32.99 2wyh s ARG 495 CO -0.09 0.62 0.08 -1.17 0.02 0.00 0.00 175.30 174.75 2wyh s LEU 496 N -0.70 2.24 0.20 2.53 2.96 0.28 -1.19 118.68 125.00 2wyh s LEU 496 Ca 0.11 -1.52 -0.31 0.00 -0.22 0.00 0.00 54.13 52.18 2wyh s LEU 496 Cb -0.11 -0.89 -0.11 0.00 0.50 0.00 0.00 46.19 45.58 2wyh s LEU 496 CO 0.01 -0.39 1.58 -2.84 -1.32 0.00 0.00 176.35 173.40 2wyh s PRO 497 N 1.60 4.19 -0.16 0.98 0.02 -1.26 -0.90 135.00 139.47 2wyh s PRO 497 Ca 0.07 2.43 -0.22 0.00 0.02 0.00 0.00 61.00 63.30 2wyh s PRO 497 Cb -0.17 -3.11 0.06 0.00 0.02 0.00 0.00 34.50 31.29 2wyh s PRO 497 CO -0.21 -0.61 0.58 -1.50 -0.33 0.00 0.00 177.00 174.93 2wyh s ILE 498 N 0.84 0.01 -0.16 2.83 2.07 0.02 -4.93 121.20 121.88 2wyh s ILE 498 Ca 0.69 -0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.87 2wyh s ILE 498 Cb -0.45 -0.84 -0.00 0.00 0.13 0.00 0.00 42.46 41.30 2wyh s ILE 498 CO 0.35 -0.03 -0.15 -0.89 -1.91 0.00 0.00 174.94 172.31 2wyh s THR 499 N -0.21 2.64 -0.09 4.00 2.01 -1.26 -1.62 115.64 121.11 2wyh s THR 499 Ca -0.04 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.22 2wyh s THR 499 Cb -0.03 -2.12 0.00 0.00 0.01 0.00 0.00 72.50 70.36 2wyh s THR 499 CO 0.03 0.51 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.49 2wyh s LEU 500 N 0.87 2.02 1.00 4.42 1.43 -0.23 -4.97 118.68 123.23 2wyh s LEU 500 Ca -0.04 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.43 2wyh s LEU 500 Cb -0.15 -1.32 0.19 0.00 0.03 0.00 0.00 46.19 44.94 2wyh s LEU 500 CO -0.01 0.15 1.10 -2.84 0.23 0.00 0.00 176.35 174.97 2wyh s PRO 501 N 0.36 0.33 0.26 1.29 0.02 -1.26 -0.36 135.00 135.64 2wyh s PRO 501 Ca -0.18 1.22 -0.30 0.00 0.02 0.00 0.00 61.00 61.77 2wyh s PRO 501 Cb -0.17 -1.67 -0.14 0.00 0.02 0.00 0.00 34.50 32.53 2wyh s PRO 501 CO 0.08 -3.00 1.11 0.00 -0.33 0.00 0.00 177.00 174.87 2wyh n ALA 502 N -4.45 -0.10 -3.97 -1.55 0.00 -1.25 -3.35 120.51 105.84 2wyh n ALA 502 Ca 0.08 0.41 -0.39 0.00 0.00 0.00 0.00 53.44 53.54 2wyh n ALA 502 Cb 0.53 -2.07 0.01 0.00 0.00 0.00 0.00 19.45 17.93 2wyh n ALA 502 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2wyh n MET 503 N 1.13 -0.83 -4.18 0.00 0.00 -0.49 -4.45 117.12 108.30 2wyh n MET 503 Ca 0.11 0.21 -0.11 0.00 -0.00 0.00 0.00 57.70 57.92 2wyh n MET 503 Cb 0.30 -3.25 -0.10 0.00 0.00 0.00 0.00 33.22 30.17 2wyh n MET 503 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2wyh s SER 504 N -3.65 1.06 0.16 6.12 0.01 -0.75 -0.81 113.70 115.84 2wyh s SER 504 Ca 0.41 -1.05 0.06 0.00 1.31 0.00 0.00 55.95 56.68 2wyh s SER 504 Cb -0.20 0.12 -0.04 0.00 0.21 0.00 0.00 66.02 66.11 2wyh s SER 504 CO 0.94 -0.51 -0.12 -1.66 0.41 0.00 0.00 173.24 172.29 2wyh s TRP 505 N -3.68 1.44 -0.05 2.43 -2.14 -0.49 -0.99 118.94 115.46 2wyh s TRP 505 Ca 0.14 -0.66 -0.03 0.00 2.66 0.00 0.00 56.10 58.21 2wyh s TRP 505 Cb 0.06 -0.71 0.02 0.00 -3.10 0.00 0.00 33.47 29.74 2wyh s TRP 505 CO -0.03 0.19 0.12 0.21 -2.66 0.00 0.00 176.95 174.78 2wyh s LYS 506 N -3.52 0.11 -0.18 3.25 2.20 -0.32 -2.00 119.74 119.27 2wyh s LYS 506 Ca 0.17 0.26 -0.09 0.00 -0.36 0.00 0.00 55.97 55.95 2wyh s LYS 506 Cb 0.00 -0.06 -0.05 0.00 -1.51 0.00 0.00 37.83 36.21 2wyh s LYS 506 CO 0.03 -0.09 0.11 0.99 -0.36 0.00 0.00 175.35 176.03 2wyh s THR 507 N 0.62 5.20 0.34 3.43 2.01 0.08 -0.64 115.64 126.68 2wyh s THR 507 Ca -0.05 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.08 2wyh s THR 507 Cb -0.06 -3.35 -0.01 0.00 0.01 0.00 0.00 72.50 69.09 2wyh s THR 507 CO -0.03 0.47 0.06 0.18 -0.69 0.00 0.00 174.62 174.62 2wyh n LEU 508 N 3.30 0.00 -3.80 4.42 4.77 0.16 -4.48 117.00 121.37 2wyh n LEU 508 Ca -0.17 -2.35 -0.13 0.00 -0.03 0.00 0.00 56.01 53.34 2wyh n LEU 508 Cb 0.52 0.55 -0.09 0.00 -2.33 0.00 0.00 43.42 42.08 2wyh n LEU 508 CO 0.36 -0.35 -0.05 0.00 -1.33 0.00 0.00 177.39 176.01 2wyh s ALA 509 N -2.75 -0.62 -0.05 -1.18 0.00 -0.09 -0.79 121.76 116.28 2wyh s ALA 509 Ca 0.09 0.22 -0.18 0.00 0.00 0.00 0.00 51.96 52.08 2wyh s ALA 509 Cb 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 2wyh s ALA 509 CO 0.06 -0.23 0.50 -1.17 0.00 0.00 0.00 175.76 174.92 2wyh s LEU 510 N -1.19 4.37 0.30 0.00 2.96 -0.26 -0.90 118.68 123.96 2wyh s LEU 510 Ca -0.13 0.96 -0.01 0.00 -0.22 0.00 0.00 54.13 54.73 2wyh s LEU 510 Cb -0.06 -2.75 -0.01 0.00 0.50 0.00 0.00 46.19 43.87 2wyh s LEU 510 CO 0.03 0.10 0.37 -1.59 -1.32 0.00 0.00 176.35 173.94 2wyh s LYS 511 N -0.01 1.69 -0.04 1.98 -2.85 -0.30 -0.11 119.74 120.11 2wyh s LYS 511 Ca 0.27 -1.73 -0.03 0.00 -1.00 0.00 0.00 55.97 53.48 2wyh s LYS 511 Cb -0.16 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 35.95 2wyh s LYS 511 CO 0.13 -0.66 0.13 -0.51 0.10 0.00 0.00 175.35 174.54 2wyh s LEU 512 N -3.22 4.19 0.00 2.77 1.43 -1.26 -0.98 118.68 121.61 2wyh s LEU 512 Ca 0.33 0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 53.68 2wyh s LEU 512 Cb 0.02 -2.32 0.03 0.00 0.03 0.00 0.00 46.19 43.94 2wyh s LEU 512 CO 0.19 0.31 0.58 0.61 0.23 0.00 0.00 176.35 178.27 2wyh n GLY 513 N 1.37 1.71 2.14 -3.19 0.00 0.31 -4.92 105.19 102.61 2wyh n GLY 513 Ca -0.14 -1.47 -0.25 0.00 0.00 0.00 0.00 46.02 44.16 2wyh n GLY 513 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wyh n ASN 514 N -1.59 4.98 0.02 1.61 5.03 -1.26 -1.27 115.26 122.79 2wyh n ASN 514 Ca -0.03 -3.50 0.00 0.00 0.87 0.00 0.00 54.58 51.92 2wyh n ASN 514 Cb 0.57 -0.87 0.00 0.00 -1.02 0.00 0.00 39.78 38.46 2wyh n ASN 514 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50 2wyh n THR 521 N -0.85 0.00 -2.60 3.41 5.66 -1.26 -4.95 114.28 113.69 2wyh n THR 521 Ca 0.54 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 61.11 2wyh n THR 521 Cb 1.23 -0.03 -0.02 0.00 -1.55 0.00 0.00 70.33 69.95 2wyh n THR 521 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2wyh s VAL 522 N -1.13 4.59 0.65 1.08 1.01 -1.26 -4.87 120.40 120.46 2wyh s VAL 522 Ca 0.00 1.89 -0.14 0.00 0.00 0.00 0.00 61.98 63.73 2wyh s VAL 522 Cb 0.00 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 2wyh s VAL 522 CO 0.00 -0.07 1.07 -0.44 0.00 0.00 0.00 175.10 175.66 2wyh s SER 523 N 1.31 5.45 0.44 3.32 0.01 -1.26 -4.20 113.70 118.77 2wyh s SER 523 Ca 0.49 1.79 0.22 0.00 1.31 0.00 0.00 55.95 59.76 2wyh s SER 523 Cb -0.19 -2.52 0.99 0.00 0.21 0.00 0.00 66.02 64.50 2wyh s SER 523 CO 0.15 -1.39 1.88 -0.07 0.41 0.00 0.00 173.24 174.21 2wyh h LEU 524 N -0.09 0.00 -8.93 2.44 3.38 -1.35 -3.43 115.31 107.34 2wyh h LEU 524 Ca -0.46 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.88 2wyh h LEU 524 Cb 1.22 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.77 2wyh h LEU 524 CO 0.56 0.26 -0.64 -0.47 0.09 0.00 0.00 178.44 178.24 2wyh s TYR 525 N -3.89 3.08 -0.34 1.13 5.04 -1.26 -0.92 117.35 120.19 2wyh s TYR 525 Ca -0.01 -0.19 -0.07 0.00 -2.44 0.00 0.00 57.07 54.36 2wyh s TYR 525 Cb 0.12 -1.97 0.04 0.00 0.35 0.00 0.00 41.96 40.50 2wyh s TYR 525 CO 0.65 0.04 0.11 0.34 -1.34 0.00 0.00 175.55 175.35 2wyh s ASP 526 N 0.27 5.35 0.24 4.32 -1.08 -0.01 -4.99 116.67 120.77 2wyh s ASP 526 Ca -0.02 -1.11 0.06 0.00 -0.52 0.00 0.00 52.55 50.97 2wyh s ASP 526 Cb -0.14 -1.88 0.27 0.00 -1.46 0.00 0.00 42.92 39.71 2wyh s ASP 526 CO 0.02 -0.33 1.57 -0.78 0.52 0.00 0.00 175.17 176.18 2wyh h ASP 527 N 8.24 0.19 0.18 -0.34 3.58 -1.96 0.71 116.42 127.01 2wyh h ASP 527 Ca -0.24 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.09 2wyh h ASP 527 Cb 1.09 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.08 2wyh h ASP 527 CO 0.61 0.76 -0.04 0.77 -2.88 0.00 0.00 179.24 178.46 2wyh h SER 528 N 0.12 0.00 0.00 2.28 4.64 -1.98 -3.02 113.55 115.60 2wyh h SER 528 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2wyh h SER 528 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2wyh h SER 528 CO 0.09 0.04 -0.65 -3.20 -0.87 0.00 0.00 176.83 172.23 2wyh n ASN 529 N -3.54 1.75 -3.98 4.97 5.15 -1.09 -5.02 115.26 113.50 2wyh n ASN 529 Ca -0.02 -0.36 -0.27 0.00 -0.60 0.00 0.00 54.58 53.33 2wyh n ASN 529 Cb 0.14 1.10 -0.03 0.00 -0.53 0.00 0.00 39.78 40.46 2wyh n ASN 529 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wyh n GLN 530 N -1.35 -2.86 -4.16 1.20 6.02 0.17 -4.79 117.38 111.61 2wyh n GLN 530 Ca 0.00 0.37 -0.26 0.00 -0.01 0.00 0.00 57.00 57.09 2wyh n GLN 530 Cb 0.10 -4.36 -0.17 0.00 1.02 0.00 0.00 30.24 26.83 2wyh n GLN 530 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wyh s LEU 532 N 1.32 4.21 -0.07 0.00 1.43 0.49 -0.83 118.68 125.23 2wyh s LEU 532 Ca -0.02 0.64 -0.03 0.00 -1.03 0.00 0.00 54.13 53.70 2wyh s LEU 532 Cb -0.14 -2.58 0.04 0.00 0.03 0.00 0.00 46.19 43.54 2wyh s LEU 532 CO -0.04 -0.03 0.14 -0.70 0.23 0.00 0.00 176.35 175.94 2wyh s GLU 533 N 0.96 0.05 0.00 1.70 2.12 -0.10 0.20 118.70 123.63 2wyh s GLU 533 Ca 0.22 0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.97 2wyh s GLU 533 Cb -0.15 -0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.01 2wyh s GLU 533 CO 0.08 -0.22 0.00 0.27 -0.54 0.00 0.00 175.26 174.85 2wyh n ASN 534 N 4.66 1.71 0.25 -1.70 0.23 -0.78 -4.71 115.26 114.91 2wyh n ASN 534 Ca -0.18 -0.19 0.16 0.00 -0.53 0.00 0.00 54.58 53.85 2wyh n ASN 534 Cb 0.51 0.00 0.60 0.00 -2.08 0.00 0.00 39.78 38.81 2wyh n ASN 534 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2wyh h GLY 535 N 0.00 0.00 0.05 4.83 0.00 -1.94 -3.31 103.07 102.70 2wyh h GLY 535 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.92 2wyh h GLY 535 CO 0.00 0.00 -2.39 0.69 0.00 0.00 0.00 176.54 174.84 2wyh n PHE 536 N -2.94 0.17 -4.28 5.60 3.72 -1.26 -4.71 117.46 113.75 2wyh n PHE 536 Ca 0.01 0.05 -0.18 0.00 -0.05 0.00 0.00 57.45 57.29 2wyh n PHE 536 Cb 0.32 -1.02 -0.14 0.00 -0.94 0.00 0.00 39.48 37.70 2wyh n PHE 536 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2wyh s LEU 537 N -7.03 2.10 -0.23 4.37 1.43 -1.25 -1.29 118.68 116.78 2wyh s LEU 537 Ca -0.35 -0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 52.39 2wyh s LEU 537 Cb 0.11 -0.42 -0.02 0.00 0.03 0.00 0.00 46.19 45.88 2wyh s LEU 537 CO 0.57 0.03 0.02 -0.75 0.23 0.00 0.00 176.35 176.45 2wyh s LYS 538 N -0.68 3.60 -0.31 1.70 2.20 -0.41 -1.86 119.74 123.97 2wyh s LYS 538 Ca 0.00 -0.52 0.03 0.00 -0.36 0.00 0.00 55.97 55.13 2wyh s LYS 538 Cb -0.06 -3.18 0.09 0.00 -1.51 0.00 0.00 37.83 33.17 2wyh s LYS 538 CO 0.00 -0.11 0.00 0.08 -0.36 0.00 0.00 175.35 174.96 2wyh s VAL 539 N 1.35 2.29 -0.22 4.02 1.01 0.13 -0.41 120.40 128.57 2wyh s VAL 539 Ca 0.05 -2.09 -0.19 0.00 0.00 0.00 0.00 61.98 59.75 2wyh s VAL 539 Cb -0.15 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 2wyh s VAL 539 CO 0.02 -0.40 0.56 -0.32 0.00 0.00 0.00 175.10 174.95 2wyh s MET 540 N 0.98 4.16 -0.41 2.72 1.75 0.00 -0.38 119.30 128.12 2wyh s MET 540 Ca 0.04 0.47 -0.28 0.00 -1.25 0.00 0.00 55.69 54.67 2wyh s MET 540 Cb -0.19 -3.59 0.02 0.00 2.84 0.00 0.00 34.83 33.90 2wyh s MET 540 CO -0.07 -0.25 1.05 0.42 -0.65 0.00 0.00 175.02 175.52 2wyh s ILE 541 N 1.95 4.40 0.92 10.11 1.01 -0.13 -1.06 121.20 138.40 2wyh s ILE 541 Ca 0.25 1.27 -0.11 0.00 0.00 0.00 0.00 60.65 62.06 2wyh s ILE 541 Cb -0.16 -4.48 0.15 0.00 0.01 0.00 0.00 42.46 37.98 2wyh s ILE 541 CO 0.10 -0.76 1.09 -1.10 0.00 0.00 0.00 174.94 174.27 2wyh s GLN 542 N 3.95 1.01 0.54 2.79 -0.21 0.06 -4.88 119.66 122.92 2wyh s GLN 542 Ca 0.44 1.01 0.20 0.00 0.02 0.00 0.00 55.36 57.02 2wyh s GLN 542 Cb -0.10 -1.77 1.41 0.00 1.00 0.00 0.00 33.01 33.55 2wyh s GLN 542 CO 0.24 -2.47 2.16 1.79 -2.12 0.00 0.00 175.29 174.90 2wyh h THR 543 N -1.72 0.87 -0.11 -0.19 1.35 -1.96 -1.54 112.91 109.60 2wyh h THR 543 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 2wyh h THR 543 Cb 1.28 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 2wyh h THR 543 CO 0.51 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.88 2wyh n ASP 544 N -4.36 1.80 0.00 5.36 5.75 -1.26 -4.94 116.55 118.90 2wyh n ASP 544 Ca -0.02 -1.66 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 2wyh n ASP 544 Cb 0.12 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 2wyh n ASP 544 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wyh n GLY 545 N 1.19 1.42 3.78 6.12 0.00 -0.58 -4.44 105.19 112.67 2wyh n GLY 545 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2wyh n GLY 545 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wyh s ARG 546 N -0.52 1.33 -0.03 1.61 0.52 -1.26 -4.73 118.95 115.87 2wyh s ARG 546 Ca 0.00 0.40 0.05 0.00 -0.52 0.00 0.00 55.73 55.67 2wyh s ARG 546 Cb 0.00 -1.85 -0.03 0.00 0.52 0.00 0.00 34.95 33.59 2wyh s ARG 546 CO 0.00 -2.09 -0.18 -0.51 0.02 0.00 0.00 175.30 172.54 2wyh s LEU 547 N -6.00 2.52 -0.29 2.53 1.43 0.42 -0.76 118.68 118.53 2wyh s LEU 547 Ca 0.63 -0.31 -0.07 0.00 -1.03 0.00 0.00 54.13 53.36 2wyh s LEU 547 Cb -0.15 -1.49 0.00 0.00 0.03 0.00 0.00 46.19 44.58 2wyh s LEU 547 CO 0.54 0.33 0.08 -0.89 0.23 0.00 0.00 176.35 176.63 2wyh s THR 548 N -0.72 4.04 -0.16 5.49 2.01 -0.22 -0.78 115.64 125.29 2wyh s THR 548 Ca 0.11 -0.58 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 2wyh s THR 548 Cb -0.10 -3.04 -0.01 0.00 0.01 0.00 0.00 72.50 69.36 2wyh s THR 548 CO 0.01 0.13 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.33 2wyh s ILE 549 N 1.53 3.08 -0.22 1.82 1.01 0.46 -0.82 121.20 128.05 2wyh s ILE 549 Ca 0.03 -0.63 -0.06 0.00 0.00 0.00 0.00 60.65 59.99 2wyh s ILE 549 Cb -0.17 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 2wyh s ILE 549 CO 0.03 0.49 0.04 -0.89 0.00 0.00 0.00 174.94 174.61 2wyh s THR 550 N 0.81 4.21 -0.40 2.92 2.01 0.45 -0.73 115.64 124.90 2wyh s THR 550 Ca -0.04 -0.22 -0.29 0.00 0.31 0.00 0.00 61.69 61.46 2wyh s THR 550 Cb -0.15 -2.94 0.01 0.00 0.01 0.00 0.00 72.50 69.44 2wyh s THR 550 CO 0.01 0.39 1.33 -0.62 -0.69 0.00 0.00 174.62 175.04 2wyh s ASP 551 N 1.26 6.47 0.51 3.53 -1.08 -0.28 -1.29 116.67 125.79 2wyh s ASP 551 Ca 0.04 0.84 0.29 0.00 -0.52 0.00 0.00 52.55 53.21 2wyh s ASP 551 Cb -0.15 -2.54 1.19 0.00 -1.46 0.00 0.00 42.92 39.96 2wyh s ASP 551 CO 0.02 -1.32 1.92 0.11 0.52 0.00 0.00 175.17 176.43 2wyh h LYS 552 N 10.08 0.00 0.00 4.34 1.57 -1.49 0.35 116.57 131.43 2wyh h LYS 552 Ca -0.26 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2wyh h LYS 552 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2wyh h LYS 552 CO 1.08 0.10 -0.00 0.37 -0.57 0.00 0.00 179.45 180.43 2wyh h GLN 553 N 0.00 -0.00 0.00 3.15 5.75 -1.84 -3.39 115.11 118.77 2wyh h GLN 553 Ca -0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 2wyh h GLN 553 Cb 0.60 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.15 2wyh h GLN 553 CO 0.01 0.89 -1.27 -1.13 -2.65 0.00 0.00 178.83 174.68 2wyh n SER 554 N -4.65 0.64 0.00 -0.69 3.41 -1.20 -4.98 113.62 106.15 2wyh n SER 554 Ca -0.09 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 2wyh n SER 554 Cb 0.43 0.83 0.00 0.00 -0.26 0.00 0.00 64.21 65.21 2wyh n SER 554 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wyh n GLY 555 N 1.21 1.53 3.77 5.00 0.00 0.12 -5.03 105.19 111.79 2wyh n GLY 555 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2wyh n GLY 555 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wyh s LEU 556 N 0.00 4.21 -0.11 0.99 1.02 -1.24 -4.75 118.68 118.81 2wyh s LEU 556 Ca 0.00 2.53 0.04 0.00 0.02 0.00 0.00 54.13 56.71 2wyh s LEU 556 Cb 0.00 -3.94 -0.00 0.00 0.02 0.00 0.00 46.19 42.27 2wyh s LEU 556 CO 0.00 -0.77 -0.23 -0.63 0.02 0.00 0.00 176.35 174.74 2wyh s ILE 557 N -1.31 2.15 -0.29 -0.59 1.01 -1.26 -1.13 121.20 119.77 2wyh s ILE 557 Ca 0.57 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 60.23 2wyh s ILE 557 Cb -0.35 -1.83 0.06 0.00 0.01 0.00 0.00 42.46 40.35 2wyh s ILE 557 CO 0.45 0.56 -0.03 -0.31 0.00 0.00 0.00 174.94 175.61 2wyh s TYR 558 N 0.39 3.32 0.45 3.97 2.02 0.09 -4.98 117.35 122.60 2wyh s TYR 558 Ca -0.17 -2.14 -0.03 0.00 -0.37 0.00 0.00 57.07 54.36 2wyh s TYR 558 Cb -0.18 -2.16 -0.03 0.00 -0.40 0.00 0.00 41.96 39.20 2wyh s TYR 558 CO 0.08 -0.85 0.72 -0.65 -1.57 0.00 0.00 175.55 173.27 2wyh s GLN 559 N 1.17 3.42 -1.46 -0.62 -0.21 -1.26 -0.40 119.66 120.29 2wyh s GLN 559 Ca -0.05 -0.04 -0.06 0.00 0.02 0.00 0.00 55.36 55.23 2wyh s GLN 559 Cb -0.20 -2.47 0.03 0.00 1.00 0.00 0.00 33.01 31.37 2wyh s GLN 559 CO -0.03 -0.16 0.56 -0.25 -2.12 0.00 0.00 175.29 173.29 2wyh n ASP 560 N -2.14 -5.29 -4.86 5.90 8.00 -0.93 -4.84 116.55 112.39 2wyh n ASP 560 Ca -0.01 -0.31 -0.31 0.00 0.71 0.00 0.00 54.79 54.87 2wyh n ASP 560 Cb 0.56 -4.30 -0.01 0.00 -0.02 0.00 0.00 41.12 37.35 2wyh n ASP 560 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wyh s LEU 561 N -6.61 3.38 -0.61 0.64 1.43 0.04 -4.46 118.68 112.49 2wyh s LEU 561 Ca 0.33 1.46 -0.00 0.00 -1.03 0.00 0.00 54.13 54.88 2wyh s LEU 561 Cb -0.16 -4.46 0.00 0.00 0.03 0.00 0.00 46.19 41.60 2wyh s LEU 561 CO 0.41 -0.76 0.51 -0.11 0.23 0.00 0.00 176.35 176.63 2wyh n LEU 562 N -2.32 -3.00 -4.74 1.79 7.94 -0.62 -0.44 117.00 115.61 2wyh n LEU 562 Ca 0.06 -0.31 -0.38 0.00 -1.11 0.00 0.00 56.01 54.27 2wyh n LEU 562 Cb 0.54 -1.82 -0.06 0.00 0.53 0.00 0.00 43.42 42.61 2wyh n LEU 562 CO 0.54 0.21 0.22 -0.60 -1.11 0.00 0.00 177.39 176.64 2wyh s ARG 563 N -4.78 4.32 -0.24 1.96 3.52 -0.90 -4.67 118.95 118.17 2wyh s ARG 563 Ca 0.03 0.56 -0.11 0.00 -0.13 0.00 0.00 55.73 56.08 2wyh s ARG 563 Cb -0.01 -3.41 -0.05 0.00 -1.56 0.00 0.00 34.95 29.92 2wyh s ARG 563 CO 0.37 0.21 0.16 -0.06 -0.81 0.00 0.00 175.30 175.17 2wyh s PHE 564 N 0.40 3.33 -0.14 5.12 0.08 -1.26 -0.30 117.98 125.21 2wyh s PHE 564 Ca 0.28 0.24 0.01 0.00 0.12 0.00 0.00 56.93 57.59 2wyh s PHE 564 Cb -0.16 -2.26 0.02 0.00 -0.57 0.00 0.00 43.02 40.04 2wyh s PHE 564 CO 0.13 0.09 -0.16 -2.00 -0.10 0.00 0.00 175.22 173.18 2wyh s GLU 565 N 0.99 2.37 -0.18 0.44 2.12 -0.16 -1.40 118.70 122.89 2wyh s GLU 565 Ca 0.08 -0.60 -0.03 0.00 0.36 0.00 0.00 54.97 54.78 2wyh s GLU 565 Cb -0.13 -2.09 -0.02 0.00 0.26 0.00 0.00 34.13 32.15 2wyh s GLU 565 CO 0.04 -0.16 -0.05 0.34 -0.54 0.00 0.00 175.26 174.89 2wyh s ASP 566 N 1.25 4.46 0.25 -1.70 2.15 0.33 -0.78 116.67 122.63 2wyh s ASP 566 Ca -0.00 -0.28 0.08 0.00 0.43 0.00 0.00 52.55 52.78 2wyh s ASP 566 Cb -0.14 -1.74 -0.05 0.00 -0.30 0.00 0.00 42.92 40.69 2wyh s ASP 566 CO -0.07 0.08 -0.11 0.00 -0.17 0.00 0.00 175.17 174.91 2wyh s GLY 568 N -3.41 1.84 -0.16 0.00 0.00 -1.26 -0.40 107.32 103.93 2wyh s GLY 568 Ca 0.27 0.11 -0.04 0.00 0.00 0.00 0.00 44.72 45.06 2wyh s GLY 568 CO 0.11 0.40 0.18 -0.35 0.00 0.00 0.00 173.10 173.44 2wyh s ASP 569 N -3.55 1.38 -0.29 1.64 -1.08 -0.81 -4.11 116.67 109.85 2wyh s ASP 569 Ca 0.58 -0.13 0.09 0.00 -0.52 0.00 0.00 52.55 52.58 2wyh s ASP 569 Cb -0.13 0.22 0.51 0.00 -1.46 0.00 0.00 42.92 42.07 2wyh s ASP 569 CO 0.46 -0.31 1.47 2.30 0.52 0.00 0.00 175.17 179.62 2wyh n ILE 570 N 5.31 2.56 -0.01 4.11 -5.35 0.92 -4.22 119.36 122.69 2wyh n ILE 570 Ca -0.06 -2.69 0.00 0.00 -0.27 0.00 0.00 62.75 59.74 2wyh n ILE 570 Cb 0.50 -0.32 0.00 0.00 -1.74 0.00 0.00 39.64 38.07 2wyh n ILE 570 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wyh n GLY 571 N -1.09 2.00 0.00 3.28 0.00 -1.26 -4.84 105.19 103.28 2wyh n GLY 571 Ca 0.33 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.61 2wyh n GLY 571 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wyh n ASN 572 N 0.00 0.00 0.27 1.61 0.23 -0.46 -4.61 115.26 112.29 2wyh n ASN 572 Ca 0.00 -0.68 0.16 0.00 -0.53 0.00 0.00 54.58 53.53 2wyh n ASN 572 Cb 0.00 0.00 0.63 0.00 -2.08 0.00 0.00 39.78 38.33 2wyh n ASN 572 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2wyh h GLU 573 N 0.00 0.00 0.05 -3.83 5.08 -1.19 -3.15 114.58 111.54 2wyh h GLU 573 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 2wyh h GLU 573 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2wyh h GLU 573 CO 0.00 0.03 -1.98 0.66 -1.00 0.00 0.00 179.01 176.72 2wyh n TYR 574 N -3.13 0.88 -3.95 4.33 4.01 -1.25 -3.77 117.16 114.27 2wyh n TYR 574 Ca 0.01 0.25 -0.18 0.00 -0.16 0.00 0.00 57.90 57.81 2wyh n TYR 574 Cb 0.33 -1.14 -0.16 0.00 -0.31 0.00 0.00 39.34 38.06 2wyh n TYR 574 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2wyh s ILE 575 N -2.56 0.25 -0.01 -0.72 1.01 -1.19 -2.97 121.20 115.01 2wyh s ILE 575 Ca -0.15 0.06 -0.19 0.00 0.00 0.00 0.00 60.65 60.37 2wyh s ILE 575 Cb 0.07 -0.35 -0.05 0.00 0.01 0.00 0.00 42.46 42.14 2wyh s ILE 575 CO 0.78 0.17 0.53 -0.55 0.00 0.00 0.00 174.94 175.87 2wyh s SER 576 N 1.13 6.90 -0.12 3.58 0.15 -1.26 -1.36 113.70 122.72 2wyh s SER 576 Ca -0.08 1.07 -0.02 0.00 0.70 0.00 0.00 55.95 57.62 2wyh s SER 576 Cb -0.14 -2.33 0.04 0.00 -1.71 0.00 0.00 66.02 61.89 2wyh s SER 576 CO -0.02 0.16 0.02 -0.60 1.20 0.00 0.00 173.24 174.00 2wyh s ARG 577 N -0.37 0.57 0.08 5.44 6.06 -1.26 -4.92 118.95 124.55 2wyh s ARG 577 Ca 0.28 -0.08 -0.30 0.00 -2.50 0.00 0.00 55.73 53.13 2wyh s ARG 577 Cb -0.18 -1.41 -0.05 0.00 0.06 0.00 0.00 34.95 33.37 2wyh s ARG 577 CO 0.15 -0.44 1.04 -0.65 -2.50 0.00 0.00 175.30 172.90 2wyh s GLN 578 N 1.95 4.59 0.83 5.12 1.11 -1.26 -0.06 119.66 131.95 2wyh s GLN 578 Ca 0.03 1.55 -0.13 0.00 0.01 0.00 0.00 55.36 56.82 2wyh s GLN 578 Cb -0.14 -3.38 0.07 0.00 -1.01 0.00 0.00 33.01 28.55 2wyh s GLN 578 CO -0.06 0.02 0.99 -2.30 0.01 0.00 0.00 175.29 173.94 2wyh n PRO 579 N 3.26 0.03 -1.64 2.91 -0.02 -1.26 -4.89 135.00 133.39 2wyh n PRO 579 Ca 0.05 0.08 -0.52 0.00 -2.02 0.00 0.00 63.50 61.09 2wyh n PRO 579 Cb 0.49 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.65 2wyh n PRO 579 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wyh n ASN 580 N -2.73 2.23 -1.10 2.55 3.02 -1.26 -1.91 115.26 116.06 2wyh n ASN 580 Ca 0.12 1.09 -0.14 0.00 -0.03 0.00 0.00 54.58 55.62 2wyh n ASN 580 Cb 0.51 -1.24 -0.05 0.00 -0.61 0.00 0.00 39.78 38.39 2wyh n ASN 580 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2wyh n HIS 581 N 3.66 -0.06 -1.72 3.10 8.25 -1.26 -4.96 115.22 122.23 2wyh n HIS 581 Ca 0.20 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.24 2wyh n HIS 581 Cb 0.20 -2.51 -0.03 0.00 1.12 0.00 0.00 29.99 28.77 2wyh n HIS 581 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2wyh n ASP 582 N -0.26 3.90 -4.34 0.41 2.03 -0.80 -5.00 116.55 112.48 2wyh n ASP 582 Ca -0.14 1.07 -0.33 0.00 0.52 0.00 0.00 54.79 55.91 2wyh n ASP 582 Cb 0.47 -1.56 -0.15 0.00 -0.72 0.00 0.00 41.12 39.16 2wyh n ASP 582 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2wyh s GLN 583 N 0.98 3.34 0.61 -0.67 -1.52 -1.26 -5.03 119.66 116.11 2wyh s GLN 583 Ca 0.74 -0.71 -0.18 0.00 -1.95 0.00 0.00 55.36 53.27 2wyh s GLN 583 Cb -0.52 -2.61 -0.03 0.00 -0.22 0.00 0.00 33.01 29.63 2wyh s GLN 583 CO 0.34 0.18 1.19 -1.25 -0.25 0.00 0.00 175.29 175.50 2wyh s PRO 584 N 0.43 2.90 -0.16 2.91 0.04 -1.26 -4.91 135.00 134.95 2wyh s PRO 584 Ca -0.11 1.75 -0.07 0.00 0.04 0.00 0.00 61.00 62.62 2wyh s PRO 584 Cb -0.16 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2wyh s PRO 584 CO 0.05 -1.24 0.06 -0.06 0.04 0.00 0.00 177.00 175.85 2wyh s PHE 585 N -1.73 3.29 -0.14 0.56 0.08 0.06 -4.95 117.98 115.15 2wyh s PHE 585 Ca 0.76 0.16 -0.02 0.00 0.12 0.00 0.00 56.93 57.95 2wyh s PHE 585 Cb -0.29 -2.02 -0.02 0.00 -0.57 0.00 0.00 43.02 40.13 2wyh s PHE 585 CO 0.35 0.29 -0.09 0.71 -0.10 0.00 0.00 175.22 176.37 2wyh s TYR 586 N -0.01 2.89 0.39 0.36 2.02 -1.26 -0.51 117.35 121.22 2wyh s TYR 586 Ca 0.06 -0.51 0.09 0.00 -0.37 0.00 0.00 57.07 56.34 2wyh s TYR 586 Cb -0.12 -1.89 0.79 0.00 -0.40 0.00 0.00 41.96 40.34 2wyh s TYR 586 CO 0.01 -0.14 1.94 0.00 -1.57 0.00 0.00 175.55 175.79 2wyh h ALA 587 N 6.69 1.54 0.00 3.71 0.00 -1.64 -2.10 119.26 127.46 2wyh h ALA 587 Ca -0.28 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2wyh h ALA 587 Cb 1.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2wyh h ALA 587 CO 0.58 0.33 0.00 -0.40 0.00 0.00 0.00 179.25 179.77 2wyh n ASP 588 N -4.32 0.45 -0.81 0.00 5.75 -1.26 -1.41 116.55 114.95 2wyh n ASP 588 Ca 0.00 0.66 0.13 0.00 -0.01 0.00 0.00 54.79 55.57 2wyh n ASP 588 Cb 0.22 -0.74 0.25 0.00 -1.03 0.00 0.00 41.12 39.83 2wyh n ASP 588 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wyh n GLN 589 N -2.06 2.12 0.00 0.11 6.02 -0.79 -4.83 117.38 117.96 2wyh n GLN 589 Ca 0.01 -1.63 0.00 0.00 -0.01 0.00 0.00 57.00 55.37 2wyh n GLN 589 Cb 0.12 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.91 2wyh n GLN 589 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wyh n GLY 590 N 1.30 1.39 3.63 1.08 0.00 -0.50 -5.05 105.19 107.04 2wyh n GLY 590 Ca 0.16 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.07 2wyh n GLY 590 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wyh s THR 591 N 1.56 5.06 -0.16 2.61 2.01 0.45 -4.89 115.64 122.28 2wyh s THR 591 Ca 0.00 0.96 -0.04 0.00 0.31 0.00 0.00 61.69 62.91 2wyh s THR 591 Cb 0.00 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 2wyh s THR 591 CO 0.00 0.09 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.38 2wyh s ILE 592 N 2.19 4.14 0.04 1.82 -1.09 -1.26 -1.04 121.20 126.01 2wyh s ILE 592 Ca 0.23 -0.27 0.01 0.00 -2.23 0.00 0.00 60.65 58.39 2wyh s ILE 592 Cb -0.16 -2.82 -0.03 0.00 -1.58 0.00 0.00 42.46 37.87 2wyh s ILE 592 CO 0.09 0.50 -0.05 -1.59 -1.23 0.00 0.00 174.94 172.66 2wyh s LYS 593 N 0.25 0.52 -0.04 2.79 -2.85 0.84 -5.00 119.74 116.24 2wyh s LYS 593 Ca -0.01 -0.89 0.06 0.00 -1.00 0.00 0.00 55.97 54.13 2wyh s LYS 593 Cb -0.13 -0.04 -0.01 0.00 -2.06 0.00 0.00 37.83 35.58 2wyh s LYS 593 CO 0.02 -0.03 -0.21 -1.17 0.10 0.00 0.00 175.35 174.06 2wyh s LEU 594 N -2.02 2.01 -0.05 2.77 2.96 -1.26 -0.34 118.68 122.74 2wyh s LEU 594 Ca -0.05 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 2wyh s LEU 594 Cb -0.04 -1.17 0.02 0.00 0.50 0.00 0.00 46.19 45.50 2wyh s LEU 594 CO -0.03 0.22 -0.04 0.20 -1.32 0.00 0.00 176.35 175.38 2wyh s ASN 595 N -0.17 1.06 -0.28 3.68 0.02 -0.12 -5.00 114.94 114.13 2wyh s ASN 595 Ca -0.01 -0.12 -0.24 0.00 -1.02 0.00 0.00 52.86 51.47 2wyh s ASN 595 Cb -0.12 -0.45 -0.00 0.00 0.02 0.00 0.00 41.25 40.70 2wyh s ASN 595 CO 0.02 -0.08 0.81 -0.63 0.02 0.00 0.00 177.10 177.24 2wyh s ILE 596 N 1.11 4.81 -0.19 0.60 1.01 -1.26 -0.05 121.20 127.23 2wyh s ILE 596 Ca -0.08 1.35 -0.18 0.00 0.00 0.00 0.00 60.65 61.74 2wyh s ILE 596 Cb -0.14 -4.13 -0.21 0.00 0.01 0.00 0.00 42.46 37.99 2wyh s ILE 596 CO -0.01 -0.18 0.24 0.40 0.00 0.00 0.00 174.94 175.40 2wyh h ILE 597 N 5.53 0.84 -3.28 2.92 1.08 -1.07 -3.49 117.51 120.04 2wyh h ILE 597 Ca -0.24 -2.21 -0.07 0.00 -0.39 0.00 0.00 64.86 61.95 2wyh h ILE 597 Cb 1.09 2.27 -0.15 0.00 -3.07 0.00 0.00 36.82 36.97 2wyh h ILE 597 CO 0.88 0.44 -0.14 -0.94 -0.69 0.00 0.00 178.15 177.69 2wyh s SER 598 N -6.91 -0.20 -0.30 1.72 1.04 -1.00 -4.95 113.70 103.11 2wyh s SER 598 Ca -0.27 -0.21 0.05 0.00 0.48 0.00 0.00 55.95 56.00 2wyh s SER 598 Cb 0.06 0.42 0.20 0.00 0.10 0.00 0.00 66.02 66.80 2wyh s SER 598 CO 0.63 -0.73 0.61 0.21 0.98 0.00 0.00 173.24 174.95 2wyh s ASN 599 N -2.38 -1.58 0.22 7.02 2.47 -1.25 -0.75 114.94 118.68 2wyh s ASN 599 Ca -0.01 0.10 0.02 0.00 0.42 0.00 0.00 52.86 53.39 2wyh s ASN 599 Cb 0.01 2.00 -0.01 0.00 -1.45 0.00 0.00 41.25 41.79 2wyh s ASN 599 CO -0.07 -0.28 0.07 0.35 -3.72 0.00 0.00 177.10 173.46 2wyh n THR 600 N 5.32 0.00 0.23 -5.21 -2.24 0.49 -4.86 114.28 108.01 2wyh n THR 600 Ca 0.06 -1.25 0.11 0.00 -2.27 0.00 0.00 64.05 60.70 2wyh n THR 600 Cb 0.54 0.44 0.50 0.00 -2.10 0.00 0.00 70.33 69.71 2wyh n THR 600 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wyh h ALA 601 N 1.34 1.02 0.07 6.98 0.00 -1.90 -0.47 119.26 126.31 2wyh h ALA 601 Ca -0.17 -0.16 -0.36 0.00 0.00 0.00 0.00 54.91 54.21 2wyh h ALA 601 Cb 0.64 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2wyh h ALA 601 CO 0.27 0.23 -2.13 1.04 0.00 0.00 0.00 179.25 178.66 2wyh n GLN 602 N -3.34 0.71 -3.78 0.00 1.13 -1.26 -4.54 117.38 106.29 2wyh n GLN 602 Ca 0.00 0.22 -0.13 0.00 -1.94 0.00 0.00 57.00 55.15 2wyh n GLN 602 Cb 0.40 -1.65 -0.11 0.00 0.11 0.00 0.00 30.24 28.99 2wyh n GLN 602 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2wyh s VAL 603 N -2.55 0.01 -0.04 5.09 0.11 -1.25 -0.86 120.40 120.91 2wyh s VAL 603 Ca -0.23 -0.07 0.03 0.00 -2.93 0.00 0.00 61.98 58.78 2wyh s VAL 603 Cb 0.07 -0.40 0.00 0.00 -1.53 0.00 0.00 36.38 34.52 2wyh s VAL 603 CO 0.73 -0.04 -0.12 0.00 -3.33 0.00 0.00 175.10 172.34 2wyh s ALA 604 N -0.05 1.12 -0.19 1.54 0.00 -0.64 -0.38 121.76 123.17 2wyh s ALA 604 Ca -0.02 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.50 2wyh s ALA 604 Cb -0.02 -0.41 0.04 0.00 0.00 0.00 0.00 23.12 22.72 2wyh s ALA 604 CO 0.01 0.18 -0.13 -1.21 0.00 0.00 0.00 175.76 174.61 2wyh s GLU 605 N 0.20 2.27 -0.07 0.00 2.02 0.07 -1.55 118.70 121.65 2wyh s GLU 605 Ca -0.05 -0.81 0.03 0.00 0.02 0.00 0.00 54.97 54.17 2wyh s GLU 605 Cb -0.10 -2.40 -0.02 0.00 0.10 0.00 0.00 34.13 31.71 2wyh s GLU 605 CO 0.01 -0.35 -0.16 -0.51 0.02 0.00 0.00 175.26 174.27 2wyh s LEU 606 N 1.38 2.58 -0.23 1.80 2.01 -0.25 -0.37 118.68 125.60 2wyh s LEU 606 Ca 0.01 -0.30 -0.08 0.00 0.01 0.00 0.00 54.13 53.77 2wyh s LEU 606 Cb -0.15 -1.53 -0.03 0.00 0.01 0.00 0.00 46.19 44.49 2wyh s LEU 606 CO -0.09 0.28 0.08 -1.61 1.01 0.00 0.00 176.35 176.02 2wyh s GLU 607 N -0.34 3.78 -0.24 1.70 2.02 0.93 0.30 118.70 126.84 2wyh s GLU 607 Ca 0.03 -0.42 -0.11 0.00 0.02 0.00 0.00 54.97 54.48 2wyh s GLU 607 Cb -0.13 -3.32 -0.05 0.00 0.10 0.00 0.00 34.13 30.73 2wyh s GLU 607 CO 0.02 -0.05 0.19 0.42 0.02 0.00 0.00 175.26 175.87 2wyh s ILE 608 N 1.25 5.33 -0.13 -1.63 1.01 -0.08 -0.95 121.20 126.02 2wyh s ILE 608 Ca 0.05 0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.96 2wyh s ILE 608 Cb -0.14 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.80 2wyh s ILE 608 CO 0.04 0.32 -0.21 -1.58 0.00 0.00 0.00 174.94 173.51 2wyh s GLN 609 N 1.22 3.10 -0.04 2.79 0.74 0.54 -0.67 119.66 127.34 2wyh s GLN 609 Ca 0.09 -0.83 0.05 0.00 0.05 0.00 0.00 55.36 54.72 2wyh s GLN 609 Cb -0.14 -2.43 -0.01 0.00 1.10 0.00 0.00 33.01 31.53 2wyh s GLN 609 CO 0.06 0.09 -0.21 -0.65 -0.55 0.00 0.00 175.29 174.03 2wyh s GLN 610 N 0.58 2.04 -0.18 1.67 1.11 -0.27 -0.11 119.66 124.49 2wyh s GLN 610 Ca -0.12 -0.75 0.00 0.00 0.01 0.00 0.00 55.36 54.50 2wyh s GLN 610 Cb -0.17 -1.79 0.01 0.00 -1.01 0.00 0.00 33.01 30.05 2wyh s GLN 610 CO 0.04 0.34 -0.16 0.99 0.01 0.00 0.00 175.29 176.51 2wyh s THR 611 N -0.16 2.46 -0.00 -0.19 2.01 -0.21 -0.50 115.64 119.05 2wyh s THR 611 Ca -0.01 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.15 2wyh s THR 611 Cb -0.11 -2.05 -0.00 0.00 0.01 0.00 0.00 72.50 70.34 2wyh s THR 611 CO 0.02 0.51 0.04 0.72 -0.69 0.00 0.00 174.62 175.22 2wyh s PHE 612 N 1.17 0.07 -0.13 4.92 -0.00 -0.73 -0.41 117.98 122.87 2wyh s PHE 612 Ca 0.02 -0.14 -0.25 0.00 -0.00 0.00 0.00 56.93 56.55 2wyh s PHE 612 Cb -0.14 -0.07 -0.02 0.00 -0.00 0.00 0.00 43.02 42.79 2wyh s PHE 612 CO -0.07 -0.13 0.81 0.00 -0.00 0.00 0.00 175.22 175.83 2wyh s ALA 613 N -0.74 3.45 0.15 1.99 0.00 -1.26 -0.24 121.76 125.11 2wyh s ALA 613 Ca -0.08 0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.05 2wyh s ALA 613 Cb -0.05 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 2wyh s ALA 613 CO -0.00 -0.50 -0.16 0.96 0.00 0.00 0.00 175.76 176.06 2wyh s ILE 614 N 1.76 1.61 0.26 0.00 -4.36 -0.28 -4.89 121.20 115.29 2wyh s ILE 614 Ca 0.39 -1.85 -0.30 0.00 -0.26 0.00 0.00 60.65 58.63 2wyh s ILE 614 Cb -0.17 -1.73 -0.14 0.00 1.25 0.00 0.00 42.46 41.67 2wyh s ILE 614 CO 0.15 -0.37 1.17 -2.65 0.24 0.00 0.00 174.94 173.48 2wyh n PRO 615 N 0.35 1.55 0.23 0.37 -0.02 -1.26 -0.95 135.00 135.28 2wyh n PRO 615 Ca -0.14 0.55 0.11 0.00 -2.02 0.00 0.00 63.50 62.00 2wyh n PRO 615 Cb 0.57 -2.04 0.48 0.00 -0.02 0.00 0.00 33.50 32.49 2wyh n PRO 615 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 2wyh h ILE 616 N 2.46 0.45 -2.46 4.25 3.07 -1.43 -3.44 117.51 120.41 2wyh h ILE 616 Ca -0.42 -1.03 0.07 0.00 1.55 0.00 0.00 64.86 65.03 2wyh h ILE 616 Cb 1.32 1.74 -0.01 0.00 -0.27 0.00 0.00 36.82 39.60 2wyh h ILE 616 CO 0.66 0.18 0.36 -1.54 -1.05 0.00 0.00 178.15 176.76 2wyh n SER 617 N -3.33 -1.44 -4.89 2.16 3.41 -1.26 -1.05 113.62 107.21 2wyh n SER 617 Ca 0.00 -1.85 -0.29 0.00 -0.26 0.00 0.00 58.87 56.46 2wyh n SER 617 Cb 0.42 2.37 0.06 0.00 -0.26 0.00 0.00 64.21 66.79 2wyh n SER 617 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wyh s ALA 618 N -1.78 2.86 1.17 7.33 0.00 -1.26 -0.60 121.76 129.48 2wyh s ALA 618 Ca 0.15 -0.47 -0.20 0.00 0.00 0.00 0.00 51.96 51.44 2wyh s ALA 618 Cb -0.03 -2.97 0.28 0.00 0.00 0.00 0.00 23.12 20.41 2wyh s ALA 618 CO 0.06 -1.28 1.19 -0.40 0.00 0.00 0.00 175.76 175.32 2wyh n ASP 619 N -3.07 -1.40 0.24 0.00 5.68 0.94 -4.19 116.55 114.75 2wyh n ASP 619 Ca 0.07 -1.28 0.11 0.00 -0.50 0.00 0.00 54.79 53.19 2wyh n ASP 619 Cb 0.58 -1.02 0.57 0.00 -1.14 0.00 0.00 41.12 40.11 2wyh n ASP 619 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2wyh h LYS 620 N 0.00 0.00 0.00 0.11 5.09 -1.95 -3.03 116.57 116.79 2wyh h LYS 620 Ca -0.42 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.26 2wyh h LYS 620 Cb 1.25 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.57 2wyh h LYS 620 CO 0.28 0.19 -0.25 1.25 -2.09 0.00 0.00 179.45 178.83 2wyh h LEU 621 N 0.00 0.00 -0.62 7.07 5.85 -1.93 -3.18 115.31 122.49 2wyh h LEU 621 Ca -0.00 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.77 2wyh h LEU 621 Cb 0.58 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 2wyh h LEU 621 CO 0.02 0.25 0.35 0.25 -0.34 0.00 0.00 178.44 178.97 2wyh h LEU 622 N 0.00 0.52 -0.40 2.25 5.85 -1.88 -2.12 115.31 119.53 2wyh h LEU 622 Ca -0.00 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.81 2wyh h LEU 622 Cb 0.44 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 2wyh h LEU 622 CO 0.03 0.35 0.02 -0.61 -0.34 0.00 0.00 178.44 177.89 2wyh h GLN 623 N 0.66 0.13 -0.68 1.25 5.75 -1.77 0.29 115.11 120.73 2wyh h GLN 623 Ca 0.27 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.74 2wyh h GLN 623 Cb 0.14 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 2wyh h GLN 623 CO -0.16 0.08 0.32 0.00 -2.65 0.00 0.00 178.83 176.42 2wyh h ALA 624 N 1.34 1.29 -0.23 3.38 0.00 -1.62 -0.05 119.26 123.37 2wyh h ALA 624 Ca 0.20 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 2wyh h ALA 624 Cb 0.27 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2wyh h ALA 624 CO -0.31 0.55 -0.49 0.93 0.00 0.00 0.00 179.25 179.93 2wyh h GLU 625 N 0.96 0.62 -0.14 0.00 5.08 -0.69 -1.66 114.58 118.75 2wyh h GLU 625 Ca 0.24 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2wyh h GLU 625 Cb 0.10 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2wyh h GLU 625 CO -0.03 0.97 -0.02 0.52 -1.00 0.00 0.00 179.01 179.45 2wyh h MET 626 N 0.49 0.27 -0.13 2.33 2.86 -0.70 -1.37 114.93 118.68 2wyh h MET 626 Ca 0.02 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2wyh h MET 626 Cb 1.03 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 2wyh h MET 626 CO 0.10 0.54 0.08 0.93 1.06 0.00 0.00 176.91 179.62 2wyh h GLU 627 N -0.03 0.17 -0.28 1.72 5.08 -0.88 -1.34 114.58 119.03 2wyh h GLU 627 Ca 0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2wyh h GLU 627 Cb 0.43 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2wyh h GLU 627 CO 0.01 0.11 0.00 0.00 -1.00 0.00 0.00 179.01 178.13 2wyh n ALA 628 N -2.52 2.47 -3.72 3.43 0.00 -0.64 -4.91 120.51 114.63 2wyh n ALA 628 Ca -0.01 -0.72 -0.23 0.00 0.00 0.00 0.00 53.44 52.48 2wyh n ALA 628 Cb 0.08 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.57 2wyh n ALA 628 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wyh n VAL 629 N 0.80 -3.92 -2.46 0.00 0.31 -0.50 -4.94 118.33 107.61 2wyh n VAL 629 Ca 0.17 -0.34 -0.42 0.00 -0.01 0.00 0.00 64.34 63.74 2wyh n VAL 629 Cb 0.43 -3.69 -0.03 0.00 -0.91 0.00 0.00 33.84 29.64 2wyh n VAL 629 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2wyh s ILE 630 N -3.52 4.15 0.41 2.52 -1.09 -0.54 -5.00 121.20 118.13 2wyh s ILE 630 Ca 0.21 1.55 -0.26 0.00 -2.23 0.00 0.00 60.65 59.91 2wyh s ILE 630 Cb -0.10 -3.99 -0.10 0.00 -1.58 0.00 0.00 42.46 36.69 2wyh s ILE 630 CO 0.80 0.12 1.27 -0.67 -1.23 0.00 0.00 174.94 175.23 2wyh n ASP 631 N 3.92 2.55 -0.07 3.58 2.03 -1.26 -4.84 116.55 122.45 2wyh n ASP 631 Ca 0.08 1.12 0.14 0.00 0.52 0.00 0.00 54.79 56.66 2wyh n ASP 631 Cb 0.47 -1.49 0.54 0.00 -0.72 0.00 0.00 41.12 39.92 2wyh n ASP 631 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 2wyh h ILE 632 N 2.15 0.85 0.00 5.18 -0.00 -1.94 -0.85 117.51 122.90 2wyh h ILE 632 Ca -0.47 -0.11 0.00 0.00 -0.00 0.00 0.00 64.86 64.28 2wyh h ILE 632 Cb 1.29 0.50 0.00 0.00 -0.00 0.00 0.00 36.82 38.62 2wyh h ILE 632 CO 0.60 0.06 0.00 0.71 -0.00 0.00 0.00 178.15 179.52 2wyh h THR 633 N 0.31 0.00 -0.02 0.16 1.35 -1.97 -3.08 112.91 109.66 2wyh h THR 633 Ca 0.28 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2wyh h THR 633 Cb 0.68 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 2wyh h THR 633 CO -0.07 0.00 -0.24 -0.62 -0.25 0.00 0.00 175.52 174.34 2wyh n GLU 634 N -2.52 1.63 -2.27 4.72 -0.58 -0.33 -5.00 120.64 116.29 2wyh n GLU 634 Ca 0.02 -1.27 -0.41 0.00 -0.42 0.00 0.00 57.16 55.08 2wyh n GLU 634 Cb 0.30 -1.39 -0.03 0.00 -0.57 0.00 0.00 31.44 29.75 2wyh n GLU 634 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2wyh s ARG 635 N -2.01 4.42 0.00 3.49 0.52 -1.17 -4.94 118.95 119.26 2wyh s ARG 635 Ca 0.20 2.00 0.17 0.00 -0.52 0.00 0.00 55.73 57.57 2wyh s ARG 635 Cb 0.16 -3.21 -0.01 0.00 0.52 0.00 0.00 34.95 32.42 2wyh s ARG 635 CO 0.40 -0.20 0.87 1.04 0.02 0.00 0.00 175.30 177.43 2wyh n GLN 636 N 2.57 1.64 -1.69 3.54 1.13 -1.26 -4.73 117.38 118.58 2wyh n GLN 636 Ca 0.05 -0.81 -0.41 0.00 -1.94 0.00 0.00 57.00 53.89 2wyh n GLN 636 Cb 0.43 -1.29 0.01 0.00 0.11 0.00 0.00 30.24 29.51 2wyh n GLN 636 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wyh n ALA 637 N -0.13 1.21 -4.50 -1.58 0.00 -1.26 -4.88 120.51 109.37 2wyh n ALA 637 Ca 0.07 0.27 -0.23 0.00 0.00 0.00 0.00 53.44 53.54 2wyh n ALA 637 Cb 0.35 -2.25 -0.05 0.00 0.00 0.00 0.00 19.45 17.49 2wyh n ALA 637 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wyh n ARG 638 N 0.07 1.03 -1.90 0.00 1.74 -1.26 -4.50 116.66 111.83 2wyh n ARG 638 Ca 0.07 -2.70 -0.31 0.00 -0.77 0.00 0.00 57.85 54.14 2wyh n ARG 638 Cb 0.39 0.83 0.01 0.00 -1.02 0.00 0.00 32.46 32.68 2wyh n ARG 638 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wyh s ARG 639 N -3.32 3.43 0.61 5.56 0.52 -1.26 -0.04 118.95 124.45 2wyh s ARG 639 Ca 0.02 0.91 -0.17 0.00 -0.52 0.00 0.00 55.73 55.98 2wyh s ARG 639 Cb 0.00 -2.06 -0.02 0.00 0.52 0.00 0.00 34.95 33.39 2wyh s ARG 639 CO 0.02 -0.71 1.15 -1.54 0.02 0.00 0.00 175.30 174.24 2wyh s SER 640 N -3.66 5.23 0.16 0.23 1.04 0.23 -4.25 113.70 112.68 2wyh s SER 640 Ca 0.58 2.19 -0.13 0.00 0.48 0.00 0.00 55.95 59.07 2wyh s SER 640 Cb -0.12 -2.58 0.04 0.00 0.10 0.00 0.00 66.02 63.46 2wyh s SER 640 CO 0.48 -1.55 1.67 1.56 0.98 0.00 0.00 173.24 176.38 2wyh h GLN 641 N 0.58 0.84 -6.70 4.02 1.08 -1.94 -3.43 115.11 109.57 2wyh h GLN 641 Ca -0.49 -0.19 -0.52 0.00 -1.45 0.00 0.00 58.65 56.00 2wyh h GLN 641 Cb 1.27 -0.12 0.03 0.00 -0.05 0.00 0.00 27.48 28.62 2wyh h GLN 641 CO 0.55 0.79 0.64 -2.00 -0.95 0.00 0.00 178.83 177.85 2wyh s GLU 642 N -5.35 4.40 0.26 1.46 2.12 -1.26 -4.93 118.70 115.40 2wyh s GLU 642 Ca -0.13 2.04 0.11 0.00 0.36 0.00 0.00 54.97 57.35 2wyh s GLU 642 Cb 0.12 -3.19 -0.05 0.00 0.26 0.00 0.00 34.13 31.27 2wyh s GLU 642 CO 0.80 -0.22 -0.18 0.15 -0.54 0.00 0.00 175.26 175.27 2wyh s LYS 643 N -0.31 1.59 0.04 4.30 1.02 -1.26 -1.16 119.74 123.97 2wyh s LYS 643 Ca 0.55 -1.73 -0.01 0.00 0.02 0.00 0.00 55.97 54.80 2wyh s LYS 643 Cb -0.36 -1.59 -0.03 0.00 -0.52 0.00 0.00 37.83 35.32 2wyh s LYS 643 CO 0.39 0.28 -0.02 0.00 -0.92 0.00 0.00 175.35 175.08 2wyh s ALA 644 N -2.64 0.39 -0.02 5.17 0.00 -0.13 -4.79 121.76 119.74 2wyh s ALA 644 Ca 0.28 -1.04 -0.30 0.00 0.00 0.00 0.00 51.96 50.90 2wyh s ALA 644 Cb -0.04 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 2wyh s ALA 644 CO 0.13 -0.32 1.42 -1.21 0.00 0.00 0.00 175.76 175.78 2wyh s GLU 645 N -3.33 4.26 -0.21 0.00 0.41 -1.26 -1.12 118.70 117.44 2wyh s GLU 645 Ca 0.01 1.97 -0.06 0.00 -0.41 0.00 0.00 54.97 56.49 2wyh s GLU 645 Cb 0.04 -3.65 -0.02 0.00 -1.78 0.00 0.00 34.13 28.72 2wyh s GLU 645 CO -0.08 -0.63 0.01 -1.17 -0.49 0.00 0.00 175.26 172.91 2wyh s LEU 646 N 2.73 3.28 -0.26 1.80 2.96 0.67 -4.93 118.68 124.92 2wyh s LEU 646 Ca 0.64 -0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 54.25 2wyh s LEU 646 Cb -0.31 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 2wyh s LEU 646 CO 0.26 0.03 0.13 -0.89 -1.32 0.00 0.00 176.35 174.56 2wyh s THR 647 N 1.19 4.79 -0.14 3.68 2.01 -1.26 -1.77 115.64 124.14 2wyh s THR 647 Ca 0.03 -0.01 -0.05 0.00 0.31 0.00 0.00 61.69 61.98 2wyh s THR 647 Cb -0.14 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 2wyh s THR 647 CO 0.02 0.29 0.03 -0.76 -0.69 0.00 0.00 174.62 173.51 2wyh s LEU 648 N 1.68 3.68 -0.13 4.42 1.43 0.35 -4.46 118.68 125.65 2wyh s LEU 648 Ca 0.07 0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 2wyh s LEU 648 Cb -0.16 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.19 2wyh s LEU 648 CO 0.07 0.27 -0.18 -0.89 0.23 0.00 0.00 176.35 175.85 2wyh s THR 649 N -0.21 1.76 -0.21 5.49 2.01 -0.37 -1.11 115.64 123.00 2wyh s THR 649 Ca 0.06 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.29 2wyh s THR 649 Cb -0.12 -1.59 0.03 0.00 0.01 0.00 0.00 72.50 70.83 2wyh s THR 649 CO 0.02 0.49 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.40 2wyh s THR 650 N 1.05 2.29 -0.27 -0.82 2.01 0.15 -0.29 115.64 119.75 2wyh s THR 650 Ca -0.04 -1.11 -0.22 0.00 0.31 0.00 0.00 61.69 60.64 2wyh s THR 650 Cb -0.15 -2.10 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 2wyh s THR 650 CO -0.04 0.33 0.69 -0.22 -0.69 0.00 0.00 174.62 174.69 2wyh s LEU 651 N 1.26 4.08 -0.25 4.42 0.20 -0.04 -0.90 118.68 127.45 2wyh s LEU 651 Ca 0.01 0.70 -0.12 0.00 0.69 0.00 0.00 54.13 55.41 2wyh s LEU 651 Cb -0.15 -2.94 -0.05 0.00 -0.43 0.00 0.00 46.19 42.62 2wyh s LEU 651 CO -0.09 -0.46 0.22 -0.63 -0.29 0.00 0.00 176.35 175.10 2wyh s ILE 652 N 2.65 5.31 -0.24 6.68 1.01 0.15 -1.31 121.20 135.45 2wyh s ILE 652 Ca 0.28 0.27 -0.02 0.00 0.00 0.00 0.00 60.65 61.18 2wyh s ILE 652 Cb -0.15 -3.55 0.01 0.00 0.01 0.00 0.00 42.46 38.78 2wyh s ILE 652 CO 0.10 0.29 -0.06 -0.60 0.00 0.00 0.00 174.94 174.67 2wyh s ARG 653 N 1.39 3.05 -0.13 2.79 3.52 0.60 -1.09 118.95 129.09 2wyh s ARG 653 Ca 0.09 -0.83 -0.04 0.00 -0.13 0.00 0.00 55.73 54.82 2wyh s ARG 653 Cb -0.15 -2.98 -0.03 0.00 -1.56 0.00 0.00 34.95 30.23 2wyh s ARG 653 CO 0.07 -0.31 0.01 1.41 -0.81 0.00 0.00 175.30 175.67 2wyh s MET 654 N 1.39 3.40 0.03 5.12 -2.45 -0.59 -1.74 119.30 124.45 2wyh s MET 654 Ca 0.03 -0.41 0.05 0.00 -1.25 0.00 0.00 55.69 54.10 2wyh s MET 654 Cb -0.15 -2.93 -0.03 0.00 1.25 0.00 0.00 34.83 32.96 2wyh s MET 654 CO -0.04 0.49 -0.10 -1.21 1.05 0.00 0.00 175.02 175.21 2wyh s GLU 655 N -0.29 2.39 0.15 4.11 2.02 -1.26 -1.62 118.70 124.20 2wyh s GLU 655 Ca 0.07 -0.82 -0.29 0.00 0.02 0.00 0.00 54.97 53.94 2wyh s GLU 655 Cb -0.12 -2.40 -0.03 0.00 0.10 0.00 0.00 34.13 31.67 2wyh s GLU 655 CO 0.02 0.57 1.56 -0.22 0.02 0.00 0.00 175.26 177.21 2wyh h LYS 656 N 4.40 -0.27 -0.86 1.61 3.64 -1.24 -2.68 116.57 121.18 2wyh h LYS 656 Ca -0.48 0.02 -0.59 0.00 -1.27 0.00 0.00 60.65 58.33 2wyh h LYS 656 Cb 1.16 0.06 -0.33 0.00 -0.41 0.00 0.00 32.23 32.72 2wyh h LYS 656 CO 0.52 -0.18 0.18 -1.71 -2.27 0.00 0.00 179.45 175.99 2wyh n ASN 657 N -5.38 6.11 -4.02 4.20 5.15 -1.26 -4.36 115.26 115.71 2wyh n ASN 657 Ca -0.00 -3.77 -0.30 0.00 -0.60 0.00 0.00 54.58 49.91 2wyh n ASN 657 Cb 0.34 -0.71 -0.16 0.00 -0.53 0.00 0.00 39.78 38.71 2wyh n ASN 657 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2wyh s ASN 658 N -2.51 2.69 0.02 1.20 3.84 -1.01 -4.99 114.94 114.19 2wyh s ASN 658 Ca 0.58 -0.49 0.25 0.00 0.21 0.00 0.00 52.86 53.40 2wyh s ASN 658 Cb 0.46 -1.18 1.03 0.00 -0.55 0.00 0.00 41.25 41.01 2wyh s ASN 658 CO 0.01 -0.06 1.78 -0.81 -2.79 0.00 0.00 177.10 175.24 2wyh n PRO 659 N 4.77 0.02 -3.49 0.43 -0.04 -1.26 -4.60 135.00 130.83 2wyh n PRO 659 Ca -0.17 0.10 -0.38 0.00 -0.04 0.00 0.00 63.50 63.01 2wyh n PRO 659 Cb 0.50 -1.53 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 2wyh n PRO 659 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2wyh s ARG 660 N -3.02 4.02 -0.18 0.54 3.52 -1.26 -4.51 118.95 118.06 2wyh s ARG 660 Ca 0.11 -0.10 -0.19 0.00 -0.13 0.00 0.00 55.73 55.42 2wyh s ARG 660 Cb 0.16 -3.63 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 2wyh s ARG 660 CO 0.46 -0.17 0.54 -1.17 -0.81 0.00 0.00 175.30 174.15 2wyh s LEU 661 N 1.74 4.17 -0.14 -0.88 2.96 0.07 -4.70 118.68 121.90 2wyh s LEU 661 Ca 0.12 0.75 -0.08 0.00 -0.22 0.00 0.00 54.13 54.70 2wyh s LEU 661 Cb -0.15 -2.76 -0.04 0.00 0.50 0.00 0.00 46.19 43.74 2wyh s LEU 661 CO 0.09 -0.17 0.12 -1.10 -1.32 0.00 0.00 176.35 173.98 2wyh s GLN 662 N 1.51 3.65 -0.02 1.98 -0.21 -0.71 -1.34 119.66 124.51 2wyh s GLN 662 Ca 0.26 -0.19 0.07 0.00 0.02 0.00 0.00 55.36 55.52 2wyh s GLN 662 Cb -0.16 -3.23 -0.02 0.00 1.00 0.00 0.00 33.01 30.61 2wyh s GLN 662 CO 0.10 0.61 -0.22 -0.06 -2.12 0.00 0.00 175.29 173.61 2wyh s PHE 663 N -0.56 1.99 -0.14 0.91 0.08 0.17 -0.29 117.98 120.14 2wyh s PHE 663 Ca 0.12 -0.41 -0.02 0.00 0.12 0.00 0.00 56.93 56.74 2wyh s PHE 663 Cb -0.12 -1.29 0.05 0.00 -0.57 0.00 0.00 43.02 41.09 2wyh s PHE 663 CO 0.02 -0.06 0.03 0.99 -0.10 0.00 0.00 175.22 176.10 2wyh s THR 664 N -0.45 0.40 -0.21 0.64 2.01 -0.43 -1.87 115.64 115.73 2wyh s THR 664 Ca 0.07 -0.22 -0.08 0.00 0.31 0.00 0.00 61.69 61.76 2wyh s THR 664 Cb -0.09 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 2wyh s THR 664 CO -0.00 -0.01 0.09 -0.89 -0.69 0.00 0.00 174.62 173.12 2wyh s THR 665 N 1.94 4.91 0.12 -0.82 2.01 0.29 -0.86 115.64 123.22 2wyh s THR 665 Ca 0.02 0.02 0.07 0.00 0.31 0.00 0.00 61.69 62.11 2wyh s THR 665 Cb -0.15 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 2wyh s THR 665 CO -0.07 0.41 -0.17 0.00 -0.69 0.00 0.00 174.62 174.10 2wyh s ARG 666 N 0.72 1.09 0.01 4.92 1.70 0.60 -0.58 118.95 127.40 2wyh s ARG 666 Ca 0.05 -1.21 -0.29 0.00 -0.47 0.00 0.00 55.73 53.81 2wyh s ARG 666 Cb -0.13 -1.16 0.10 0.00 -0.57 0.00 0.00 34.95 33.19 2wyh s ARG 666 CO 0.02 0.25 1.15 -0.59 -1.08 0.00 0.00 175.30 175.04 2wyh s PHE 667 N -1.64 -0.11 -0.35 5.89 -0.12 -1.06 -1.23 117.98 119.37 2wyh s PHE 667 Ca 0.08 -0.05 -0.01 0.00 -0.05 0.00 0.00 56.93 56.89 2wyh s PHE 667 Cb -0.08 0.57 0.08 0.00 -0.63 0.00 0.00 43.02 42.96 2wyh s PHE 667 CO 0.04 -0.45 0.08 0.34 -0.05 0.00 0.00 175.22 175.18 2wyh s ASP 668 N -2.82 5.00 -0.19 1.98 -1.08 -1.26 -0.76 116.67 117.53 2wyh s ASP 668 Ca 0.12 -1.68 -0.29 0.00 -0.52 0.00 0.00 52.55 50.18 2wyh s ASP 668 Cb 0.02 -1.74 -0.02 0.00 -1.46 0.00 0.00 42.92 39.72 2wyh s ASP 668 CO -0.03 -0.38 1.36 0.21 0.52 0.00 0.00 175.17 176.85 2wyh s ASN 669 N 1.42 6.78 -0.12 -0.34 2.47 0.25 -4.85 114.94 120.54 2wyh s ASN 669 Ca 0.02 1.62 0.18 0.00 0.42 0.00 0.00 52.86 55.10 2wyh s ASN 669 Cb -0.21 -2.54 0.43 0.00 -1.45 0.00 0.00 41.25 37.48 2wyh s ASN 669 CO -0.03 -0.92 1.19 0.00 -3.72 0.00 0.00 177.10 173.62 2wyh n GLN 670 N 6.97 0.99 -4.17 0.43 1.13 -1.26 -0.74 117.38 120.73 2wyh n GLN 670 Ca 0.15 -2.79 -0.17 0.00 -1.94 0.00 0.00 57.00 52.25 2wyh n GLN 670 Cb 0.45 -0.95 -0.12 0.00 0.11 0.00 0.00 30.24 29.73 2wyh n GLN 670 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 2wyh s MET 671 N -1.88 0.74 0.26 -1.09 -1.94 -1.26 -4.98 119.30 109.14 2wyh s MET 671 Ca 0.36 -0.83 0.10 0.00 -1.71 0.00 0.00 55.69 53.61 2wyh s MET 671 Cb 0.38 -0.68 -0.04 0.00 2.01 0.00 0.00 34.83 36.49 2wyh s MET 671 CO -0.11 0.15 -0.03 0.95 -0.01 0.00 0.00 175.02 175.98 2wyh s THR 672 N -1.18 3.37 -1.14 2.05 -4.23 -0.22 -4.77 115.64 109.52 2wyh s THR 672 Ca -0.03 -1.91 -0.14 0.00 -1.18 0.00 0.00 61.69 58.42 2wyh s THR 672 Cb -0.09 -2.79 -0.02 0.00 1.34 0.00 0.00 72.50 70.94 2wyh s THR 672 CO 0.01 -0.35 0.81 0.59 -0.54 0.00 0.00 174.62 175.15 2wyh n ASN 673 N -0.78 -5.16 -4.04 3.99 4.13 -1.01 -4.02 115.26 108.37 2wyh n ASN 673 Ca -0.07 -0.91 -0.10 0.00 1.68 0.00 0.00 54.58 55.18 2wyh n ASN 673 Cb 0.59 -3.95 -0.06 0.00 -1.54 0.00 0.00 39.78 34.82 2wyh n ASN 673 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 2wyh s HIS 674 N -3.47 0.54 -0.04 3.10 -3.43 -0.77 -1.92 115.29 109.29 2wyh s HIS 674 Ca 0.41 -0.87 0.01 0.00 -0.80 0.00 0.00 55.06 53.81 2wyh s HIS 674 Cb -0.12 0.03 0.02 0.00 -1.43 0.00 0.00 32.58 31.08 2wyh s HIS 674 CO 0.82 -0.92 -0.03 0.50 -2.00 0.00 0.00 174.74 173.12 2wyh s ARG 675 N -4.04 0.59 -0.16 -0.38 3.52 0.46 -0.16 118.95 118.78 2wyh s ARG 675 Ca 0.26 -0.03 -0.03 0.00 -0.13 0.00 0.00 55.73 55.80 2wyh s ARG 675 Cb 0.01 -0.67 -0.02 0.00 -1.56 0.00 0.00 34.95 32.71 2wyh s ARG 675 CO 0.10 -0.10 -0.06 -1.17 -0.81 0.00 0.00 175.30 173.26 2wyh s LEU 676 N 0.94 3.05 0.16 -0.88 2.96 0.34 -1.18 118.68 124.07 2wyh s LEU 676 Ca -0.11 -0.23 0.08 0.00 -0.22 0.00 0.00 54.13 53.65 2wyh s LEU 676 Cb -0.14 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 2wyh s LEU 676 CO -0.01 0.13 -0.16 -0.13 -1.32 0.00 0.00 176.35 174.86 2wyh s ARG 677 N 0.61 1.20 -0.10 1.98 0.52 0.04 -0.50 118.95 122.69 2wyh s ARG 677 Ca -0.04 -1.37 0.00 0.00 -0.52 0.00 0.00 55.73 53.80 2wyh s ARG 677 Cb -0.15 -1.17 -0.02 0.00 0.52 0.00 0.00 34.95 34.13 2wyh s ARG 677 CO 0.03 0.23 -0.09 0.54 0.02 0.00 0.00 175.30 176.02 2wyh s VAL 678 N -2.18 3.44 -0.05 3.52 0.11 -0.31 -0.98 120.40 123.95 2wyh s VAL 678 Ca 0.14 -0.55 0.05 0.00 -2.93 0.00 0.00 61.98 58.69 2wyh s VAL 678 Cb -0.05 -2.43 -0.02 0.00 -1.53 0.00 0.00 36.38 32.35 2wyh s VAL 678 CO 0.05 0.55 -0.19 -0.76 -3.33 0.00 0.00 175.10 171.43 2wyh s LEU 679 N -0.21 2.46 -0.48 2.54 1.43 0.59 -0.58 118.68 124.43 2wyh s LEU 679 Ca 0.02 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 2wyh s LEU 679 Cb -0.13 -1.48 0.14 0.00 0.03 0.00 0.00 46.19 44.75 2wyh s LEU 679 CO 0.03 0.31 0.27 -0.36 0.23 0.00 0.00 176.35 176.83 2wyh s PHE 680 N -0.54 2.39 -0.07 0.29 0.08 0.62 -1.60 117.98 119.15 2wyh s PHE 680 Ca 0.07 -2.69 -0.30 0.00 0.12 0.00 0.00 56.93 54.13 2wyh s PHE 680 Cb -0.11 -2.17 -0.04 0.00 -0.57 0.00 0.00 43.02 40.13 2wyh s PHE 680 CO 0.01 -0.76 1.40 -1.25 -0.10 0.00 0.00 175.22 174.52 2wyh s PRO 681 N 0.04 4.25 -0.18 0.24 0.04 -1.26 -1.23 135.00 136.89 2wyh s PRO 681 Ca 0.18 1.89 0.16 0.00 0.04 0.00 0.00 61.00 63.27 2wyh s PRO 681 Cb -0.22 -3.73 -0.22 0.00 0.04 0.00 0.00 34.50 30.36 2wyh s PRO 681 CO -0.02 -0.67 0.05 0.25 0.04 0.00 0.00 177.00 176.66 2wyh n THR 682 N 5.09 1.24 -1.80 1.26 -2.24 -0.88 -4.83 114.28 112.11 2wyh n THR 682 Ca 0.14 -0.76 -0.15 0.00 -2.27 0.00 0.00 64.05 61.01 2wyh n THR 682 Cb 0.44 -0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 68.08 2wyh n THR 682 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2wyh n HIS 683 N -2.68 -0.63 -2.33 4.78 8.25 0.06 -4.95 115.22 117.71 2wyh n HIS 683 Ca -0.30 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.77 2wyh n HIS 683 Cb 1.08 -2.96 -0.03 0.00 1.12 0.00 0.00 29.99 29.20 2wyh n HIS 683 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2wyh s LEU 684 N -4.67 4.31 -0.86 2.41 1.43 -1.26 -4.96 118.68 115.08 2wyh s LEU 684 Ca 0.00 2.35 -0.18 0.00 -1.03 0.00 0.00 54.13 55.27 2wyh s LEU 684 Cb 0.00 -3.89 0.14 0.00 0.03 0.00 0.00 46.19 42.47 2wyh s LEU 684 CO 0.00 -0.51 1.02 -0.54 0.23 0.00 0.00 176.35 176.55 2wyh s LYS 685 N -2.04 3.51 -0.19 1.70 1.02 -1.26 -4.78 119.74 117.70 2wyh s LYS 685 Ca 0.53 -1.76 -0.28 0.00 0.02 0.00 0.00 55.97 54.48 2wyh s LYS 685 Cb -0.31 -4.72 0.08 0.00 -0.52 0.00 0.00 37.83 32.36 2wyh s LYS 685 CO 0.40 -1.68 0.77 -0.08 -0.92 0.00 0.00 175.35 173.85 2wyh s THR 686 N 2.38 0.00 -2.71 2.17 -1.32 -1.26 -4.70 115.64 110.20 2wyh s THR 686 Ca 0.27 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.01 2wyh s THR 686 Cb -0.08 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.20 2wyh s THR 686 CO -0.06 0.00 1.42 0.47 -2.21 0.00 0.00 174.62 174.24 2wyh n ASP 687 N 1.83 2.35 -4.34 8.08 8.00 -1.26 -4.95 116.55 126.27 2wyh n ASP 687 Ca -0.15 -1.75 -0.18 0.00 0.71 0.00 0.00 54.79 53.42 2wyh n ASP 687 Cb 0.56 0.04 -0.10 0.00 -0.02 0.00 0.00 41.12 41.60 2wyh n ASP 687 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2wyh s HIS 688 N -2.06 1.60 0.20 1.24 -3.43 -1.26 -0.96 115.29 110.63 2wyh s HIS 688 Ca 0.30 -0.95 -0.03 0.00 -0.80 0.00 0.00 55.06 53.58 2wyh s HIS 688 Cb 0.20 -0.95 -0.03 0.00 -1.43 0.00 0.00 32.58 30.37 2wyh s HIS 688 CO 0.34 -0.07 0.19 -3.38 -2.00 0.00 0.00 174.74 169.83 2wyh s HIS 689 N -3.44 0.97 -0.09 0.38 -3.43 -0.17 -4.68 115.29 104.82 2wyh s HIS 689 Ca 0.30 -1.23 0.03 0.00 -0.80 0.00 0.00 55.06 53.36 2wyh s HIS 689 Cb 0.06 -0.40 0.01 0.00 -1.43 0.00 0.00 32.58 30.82 2wyh s HIS 689 CO 0.10 -0.70 -0.17 -0.51 -2.00 0.00 0.00 174.74 171.46 2wyh s LEU 690 N -3.12 1.84 0.05 5.38 1.43 0.24 -1.33 118.68 123.16 2wyh s LEU 690 Ca 0.34 -0.44 0.09 0.00 -1.03 0.00 0.00 54.13 53.09 2wyh s LEU 690 Cb 0.06 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 2wyh s LEU 690 CO 0.10 0.07 -0.26 0.00 0.23 0.00 0.00 176.35 176.50 2wyh s ALA 691 N 0.67 2.18 -0.24 4.21 0.00 -0.44 -0.05 121.76 128.10 2wyh s ALA 691 Ca -0.13 -1.24 -0.29 0.00 0.00 0.00 0.00 51.96 50.30 2wyh s ALA 691 Cb -0.16 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 2wyh s ALA 691 CO 0.03 0.51 1.52 0.34 0.00 0.00 0.00 175.76 178.17 2wyh s ASP 692 N -1.24 6.47 0.02 0.00 2.15 -0.21 -1.30 116.67 122.56 2wyh s ASP 692 Ca 0.11 1.52 0.00 0.00 0.43 0.00 0.00 52.55 54.61 2wyh s ASP 692 Cb -0.10 -2.53 -0.00 0.00 -0.30 0.00 0.00 42.92 39.99 2wyh s ASP 692 CO 0.02 -1.19 0.00 -0.24 -0.17 0.00 0.00 175.17 173.59 2wyh n SER 693 N 8.16 1.44 -4.58 -0.34 2.88 0.58 0.05 113.62 121.82 2wyh n SER 693 Ca 0.18 -1.09 -0.41 0.00 -1.33 0.00 0.00 58.87 56.22 2wyh n SER 693 Cb 0.46 0.03 -0.03 0.00 -0.75 0.00 0.00 64.21 63.92 2wyh n SER 693 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2wyh s ILE 694 N -1.36 3.46 -1.23 2.46 -1.09 -1.26 -2.60 121.20 119.57 2wyh s ILE 694 Ca 0.00 0.40 -0.08 0.00 -2.23 0.00 0.00 60.65 58.74 2wyh s ILE 694 Cb 0.00 -3.81 0.06 0.00 -1.58 0.00 0.00 42.46 37.14 2wyh s ILE 694 CO 0.00 -0.64 0.43 0.49 -1.23 0.00 0.00 174.94 173.98 2wyh n PHE 695 N 11.30 -1.75 -3.59 3.97 3.72 -1.26 -4.52 117.46 125.34 2wyh n PHE 695 Ca 0.22 0.41 -0.14 0.00 -0.05 0.00 0.00 57.45 57.89 2wyh n PHE 695 Cb 0.49 -2.87 -0.06 0.00 -0.94 0.00 0.00 39.48 36.10 2wyh n PHE 695 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 2wyh s GLU 696 N -5.89 0.81 -0.79 -1.08 -1.05 -1.07 -4.87 118.70 104.77 2wyh s GLU 696 Ca 0.35 0.60 -0.20 0.00 -0.15 0.00 0.00 54.97 55.56 2wyh s GLU 696 Cb -0.19 0.39 0.10 0.00 -0.44 0.00 0.00 34.13 34.00 2wyh s GLU 696 CO 0.43 -0.17 1.02 0.99 0.95 0.00 0.00 175.26 178.48 2wyh s THR 697 N -0.31 4.58 0.16 1.83 2.01 -1.26 -0.31 115.64 122.34 2wyh s THR 697 Ca -0.03 -1.04 -0.26 0.00 0.31 0.00 0.00 61.69 60.67 2wyh s THR 697 Cb -0.03 -4.71 -0.08 0.00 0.01 0.00 0.00 72.50 67.69 2wyh s THR 697 CO 0.02 -1.45 0.81 0.54 -0.69 0.00 0.00 174.62 173.85 2wyh s VAL 698 N 3.22 4.37 -0.08 3.82 0.11 -0.42 -4.39 120.40 127.03 2wyh s VAL 698 Ca 0.26 1.77 -0.18 0.00 -2.93 0.00 0.00 61.98 60.90 2wyh s VAL 698 Cb -0.12 -4.17 -0.05 0.00 -1.53 0.00 0.00 36.38 30.52 2wyh s VAL 698 CO -0.00 0.50 0.47 -0.75 -3.33 0.00 0.00 175.10 171.98 2wyh s LYS 699 N -1.00 4.26 0.05 1.54 2.20 -1.26 -1.32 119.74 124.20 2wyh s LYS 699 Ca 0.37 0.46 0.03 0.00 -0.36 0.00 0.00 55.97 56.47 2wyh s LYS 699 Cb -0.23 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.68 2wyh s LYS 699 CO 0.27 0.29 -0.09 1.03 -0.36 0.00 0.00 175.35 176.49 2wyh s ARG 700 N 0.19 0.57 0.58 4.03 0.52 -0.44 -4.99 118.95 119.41 2wyh s ARG 700 Ca 0.26 -0.79 -0.18 0.00 -0.52 0.00 0.00 55.73 54.50 2wyh s ARG 700 Cb -0.16 -0.36 -0.04 0.00 0.52 0.00 0.00 34.95 34.92 2wyh s ARG 700 CO 0.11 0.07 1.12 -1.25 0.02 0.00 0.00 175.30 175.37 2wyh s PRO 701 N -1.64 3.17 0.39 3.54 0.04 -1.26 -1.00 135.00 138.25 2wyh s PRO 701 Ca -0.09 1.52 0.23 0.00 0.04 0.00 0.00 61.00 62.70 2wyh s PRO 701 Cb -0.10 -1.99 0.27 0.00 0.04 0.00 0.00 34.50 32.73 2wyh s PRO 701 CO 0.01 -0.98 1.50 -0.91 0.04 0.00 0.00 177.00 176.65 2wyh h ASN 702 N 0.78 0.00 -3.67 6.66 2.35 -1.36 -3.44 115.58 116.90 2wyh h ASN 702 Ca -0.49 -0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 54.58 2wyh h ASN 702 Cb 1.25 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 39.42 2wyh h ASN 702 CO 0.56 0.00 -0.70 -1.00 -1.65 0.00 0.00 177.43 174.64 2wyh s HIS 703 N -3.24 2.91 1.18 1.19 3.76 -1.26 -4.30 115.29 115.53 2wyh s HIS 703 Ca 0.06 -0.05 -0.19 0.00 -0.15 0.00 0.00 55.06 54.73 2wyh s HIS 703 Cb 0.06 -1.72 0.28 0.00 1.11 0.00 0.00 32.58 32.30 2wyh s HIS 703 CO 0.69 0.27 1.12 -1.25 -0.85 0.00 0.00 174.74 174.72 2wyh s PRO 704 N -0.67 -1.02 -0.67 8.40 0.04 -1.26 -4.94 135.00 134.88 2wyh s PRO 704 Ca 0.10 -0.04 -0.26 0.00 0.04 0.00 0.00 61.00 60.84 2wyh s PRO 704 Cb -0.11 -1.62 0.04 0.00 0.04 0.00 0.00 34.50 32.85 2wyh s PRO 704 CO 0.02 -3.58 1.16 0.34 0.04 0.00 0.00 177.00 174.97 2wyh s ASP 705 N -3.91 6.25 0.34 6.66 -1.08 -1.26 -4.89 116.67 118.77 2wyh s ASP 705 Ca 0.71 -0.43 0.25 0.00 -0.52 0.00 0.00 52.55 52.56 2wyh s ASP 705 Cb -0.10 -2.52 1.21 0.00 -1.46 0.00 0.00 42.92 40.05 2wyh s ASP 705 CO 0.56 -1.61 1.75 0.00 0.52 0.00 0.00 175.17 176.39 2wyh h ALA 706 N 9.75 1.00 -0.48 3.66 0.00 -1.92 0.27 119.26 131.55 2wyh h ALA 706 Ca -0.27 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2wyh h ALA 706 Cb 1.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2wyh h ALA 706 CO 1.22 0.00 0.13 1.15 0.00 0.00 0.00 179.25 181.75 2wyh h THR 707 N 0.00 1.20 0.00 0.00 2.02 -1.99 -3.38 112.91 110.77 2wyh h THR 707 Ca 0.00 -0.69 -0.08 0.00 0.77 0.00 0.00 66.41 66.41 2wyh h THR 707 Cb 0.17 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2wyh h THR 707 CO 0.00 0.26 -1.30 0.49 0.37 0.00 0.00 175.52 175.34 2wyh n PHE 708 N -4.31 0.00 -2.51 3.16 3.72 -0.45 -5.06 117.46 112.00 2wyh n PHE 708 Ca 0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.02 2wyh n PHE 708 Cb 0.20 -0.21 -0.03 0.00 -0.94 0.00 0.00 39.48 38.50 2wyh n PHE 708 CO 0.00 0.00 0.00 -0.46 -0.05 0.00 0.00 176.76 176.25 2wyh s TRP 709 N -2.10 3.53 -0.04 1.38 -0.11 0.83 -3.56 118.94 118.87 2wyh s TRP 709 Ca -0.04 1.47 0.03 0.00 1.22 0.00 0.00 56.10 58.77 2wyh s TRP 709 Cb 0.02 -3.31 -0.04 0.00 -1.50 0.00 0.00 33.47 28.63 2wyh s TRP 709 CO 0.15 -0.81 0.00 1.63 -4.62 0.00 0.00 176.95 173.31 2wyh n LYS 710 N 3.54 2.66 -1.67 5.86 4.76 0.78 -4.81 118.16 129.28 2wyh n LYS 710 Ca 0.07 0.00 -0.48 0.00 -2.87 0.00 0.00 58.31 55.03 2wyh n LYS 710 Cb 0.47 -1.09 -0.05 0.00 -1.84 0.00 0.00 35.03 32.52 2wyh n LYS 710 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2wyh n ASN 711 N -2.25 3.00 0.31 4.39 2.85 -0.33 -4.85 115.26 118.38 2wyh n ASN 711 Ca -0.06 1.05 0.18 0.00 -0.11 0.00 0.00 54.58 55.63 2wyh n ASN 711 Cb 0.61 -1.36 1.01 0.00 1.24 0.00 0.00 39.78 41.28 2wyh n ASN 711 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2wyh h PRO 712 N 7.09 0.00 -6.19 1.20 0.13 -1.95 -3.43 132.00 128.85 2wyh h PRO 712 Ca -0.47 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.16 2wyh h PRO 712 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 2wyh h PRO 712 CO 0.90 0.02 -0.51 -1.12 -0.23 0.00 0.00 178.00 177.06 2wyh s SER 713 N -5.71 5.70 -0.44 1.44 0.01 -1.26 -5.07 113.70 108.36 2wyh s SER 713 Ca -0.04 -0.16 0.09 0.00 1.31 0.00 0.00 55.95 57.14 2wyh s SER 713 Cb 0.14 -1.51 0.29 0.00 0.21 0.00 0.00 66.02 65.15 2wyh s SER 713 CO 0.49 -0.03 0.67 -3.20 0.41 0.00 0.00 173.24 171.59 2wyh n ASN 714 N -1.09 1.42 -4.77 2.44 5.15 -1.26 -5.02 115.26 112.12 2wyh n ASN 714 Ca -0.08 -3.02 -0.41 0.00 -0.60 0.00 0.00 54.58 50.47 2wyh n ASN 714 Cb 0.57 -0.63 -0.01 0.00 -0.53 0.00 0.00 39.78 39.18 2wyh n ASN 714 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2wyh s PRO 715 N -2.05 4.24 0.21 1.20 0.04 -1.26 -4.62 135.00 132.75 2wyh s PRO 715 Ca 0.39 2.38 0.05 0.00 0.04 0.00 0.00 61.00 63.86 2wyh s PRO 715 Cb 0.24 -3.03 -0.05 0.00 0.04 0.00 0.00 34.50 31.70 2wyh s PRO 715 CO -0.09 -0.37 -0.07 -0.65 0.04 0.00 0.00 177.00 175.86 2wyh s GLN 716 N -1.74 1.28 0.10 4.56 -1.52 -0.01 -4.90 119.66 117.44 2wyh s GLN 716 Ca 0.52 -1.60 -0.08 0.00 -1.95 0.00 0.00 55.36 52.25 2wyh s GLN 716 Cb -0.43 -0.81 -0.06 0.00 -0.22 0.00 0.00 33.01 31.49 2wyh s GLN 716 CO 0.56 0.04 0.39 -1.01 -0.25 0.00 0.00 175.29 175.02 2wyh s HIS 717 N -3.23 3.54 0.01 0.91 3.76 -1.26 -1.93 115.29 117.09 2wyh s HIS 717 Ca 0.24 0.71 -0.08 0.00 -0.15 0.00 0.00 55.06 55.78 2wyh s HIS 717 Cb 0.03 -2.11 0.00 0.00 1.11 0.00 0.00 32.58 31.61 2wyh s HIS 717 CO 0.06 0.48 0.15 1.14 -0.85 0.00 0.00 174.74 175.72 2wyh s GLN 718 N -2.18 0.54 0.00 1.40 -2.07 -0.19 -4.84 119.66 112.31 2wyh s GLN 718 Ca 0.36 -0.48 0.00 0.00 -1.82 0.00 0.00 55.36 53.42 2wyh s GLN 718 Cb -0.13 0.22 0.00 0.00 -1.09 0.00 0.00 33.01 32.01 2wyh s GLN 718 CO 0.20 -0.14 0.00 -1.91 -1.32 0.00 0.00 175.29 172.12 2wyh n GLU 719 N 1.21 0.00 0.08 9.60 2.13 0.11 -4.50 120.64 129.27 2wyh n GLU 719 Ca -0.22 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.72 2wyh n GLU 719 Cb 0.56 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.30 2wyh n GLU 719 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2wyh s PHE 721 N -3.32 -0.21 0.01 0.00 -0.12 -1.26 -1.15 117.98 111.93 2wyh s PHE 721 Ca 0.01 -0.11 -0.04 0.00 -0.05 0.00 0.00 56.93 56.74 2wyh s PHE 721 Cb 0.11 0.64 -0.01 0.00 -0.63 0.00 0.00 43.02 43.13 2wyh s PHE 721 CO 0.79 -0.90 0.06 0.54 -0.05 0.00 0.00 175.22 175.66 2wyh s VAL 722 N -3.47 0.10 -0.09 -2.49 0.11 -0.63 -1.04 120.40 112.89 2wyh s VAL 722 Ca 0.10 -0.85 -0.12 0.00 -2.93 0.00 0.00 61.98 58.18 2wyh s VAL 722 Cb -0.02 -0.44 0.03 0.00 -1.53 0.00 0.00 36.38 34.42 2wyh s VAL 722 CO 0.01 -0.47 0.32 -0.55 -3.33 0.00 0.00 175.10 171.08 2wyh s SER 723 N -1.53 -0.29 -0.07 3.54 0.15 0.93 -1.29 113.70 115.14 2wyh s SER 723 Ca -0.14 0.47 0.03 0.00 0.70 0.00 0.00 55.95 57.02 2wyh s SER 723 Cb -0.08 0.56 -0.02 0.00 -1.71 0.00 0.00 66.02 64.77 2wyh s SER 723 CO -0.00 -0.22 -0.17 -0.76 1.20 0.00 0.00 173.24 173.29 2wyh s LEU 724 N -0.30 2.57 -0.15 3.45 1.43 -0.61 -0.59 118.68 124.48 2wyh s LEU 724 Ca -0.04 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 52.69 2wyh s LEU 724 Cb -0.03 -1.52 0.06 0.00 0.03 0.00 0.00 46.19 44.73 2wyh s LEU 724 CO 0.02 0.28 0.33 0.12 0.23 0.00 0.00 176.35 177.32 2wyh s PHE 725 N -0.35 -0.51 -2.50 0.29 5.36 -1.26 -0.94 117.98 118.06 2wyh s PHE 725 Ca 0.03 1.10 0.25 0.00 -0.96 0.00 0.00 56.93 57.35 2wyh s PHE 725 Cb -0.12 0.14 0.80 0.00 -0.34 0.00 0.00 43.02 43.49 2wyh s PHE 725 CO 0.02 -0.34 1.60 -0.40 -1.46 0.00 0.00 175.22 174.64 2wyh n ASP 726 N 4.69 1.89 0.00 6.13 5.68 -0.17 -4.90 116.55 129.88 2wyh n ASP 726 Ca -0.18 -1.66 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 2wyh n ASP 726 Cb 0.52 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 2wyh n ASP 726 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wyh n GLY 727 N 1.21 2.11 0.14 6.12 0.00 -1.26 -4.82 105.19 108.69 2wyh n GLY 727 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2wyh n GLY 727 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2wyh n GLU 728 N -0.40 0.00 -4.15 1.61 0.00 -1.26 -4.75 120.64 111.69 2wyh n GLU 728 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 57.02 2wyh n GLU 728 Cb 0.00 -0.80 -0.11 0.00 0.00 0.00 0.00 31.44 30.53 2wyh n GLU 728 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 2wyh s ASN 729 N -3.86 1.31 0.00 -1.84 0.01 -1.26 -2.11 114.94 107.19 2wyh s ASN 729 Ca 0.00 -0.74 -0.00 0.00 -0.71 0.00 0.00 52.86 51.41 2wyh s ASN 729 Cb 0.00 0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.67 2wyh s ASN 729 CO 0.00 -0.24 0.01 0.61 -1.51 0.00 0.00 177.10 175.97 2wyh n GLY 730 N 0.83 1.47 2.91 0.66 0.00 -0.25 -1.00 105.19 109.81 2wyh n GLY 730 Ca -0.18 -0.95 -0.15 0.00 0.00 0.00 0.00 46.02 44.74 2wyh n GLY 730 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wyh s VAL 731 N -2.67 0.29 -0.14 1.61 1.01 -0.12 -0.90 120.40 119.48 2wyh s VAL 731 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2wyh s VAL 731 Cb -0.00 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 36.12 2wyh s VAL 731 CO 0.00 0.10 -0.19 -0.89 0.00 0.00 0.00 175.10 174.12 2wyh s THR 732 N 0.16 1.89 -0.27 3.92 2.01 -0.20 -1.58 115.64 121.57 2wyh s THR 732 Ca -0.01 -0.87 -0.08 0.00 0.31 0.00 0.00 61.69 61.04 2wyh s THR 732 Cb -0.04 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.75 2wyh s THR 732 CO -0.00 0.52 0.09 -0.63 -0.69 0.00 0.00 174.62 173.90 2wyh s ILE 733 N 1.02 4.35 0.45 1.82 -1.09 -0.41 -1.34 121.20 126.00 2wyh s ILE 733 Ca -0.03 -0.27 -0.01 0.00 -2.23 0.00 0.00 60.65 58.10 2wyh s ILE 733 Cb -0.15 -3.10 -0.01 0.00 -1.58 0.00 0.00 42.46 37.62 2wyh s ILE 733 CO -0.05 0.25 0.69 -0.83 -1.23 0.00 0.00 174.94 173.77 2wyh s GLY 734 N 1.61 1.51 0.17 6.18 0.00 -0.85 -1.61 107.32 114.32 2wyh s GLY 734 Ca 0.06 -0.88 -0.08 0.00 0.00 0.00 0.00 44.72 43.81 2wyh s GLY 734 CO 0.04 -0.72 0.28 0.54 0.00 0.00 0.00 173.10 173.23 2wyh s ASN 735 N -4.17 0.05 -0.36 1.64 4.22 -0.30 -1.48 114.94 114.54 2wyh s ASN 735 Ca 0.47 -0.90 0.02 0.00 -2.14 0.00 0.00 52.86 50.31 2wyh s ASN 735 Cb -0.10 0.43 0.11 0.00 1.28 0.00 0.00 41.25 42.97 2wyh s ASN 735 CO 0.40 -0.89 0.11 -0.47 -2.04 0.00 0.00 177.10 174.21 2wyh s TYR 736 N -3.98 2.81 -1.30 1.54 5.04 -0.44 -4.79 117.35 116.23 2wyh s TYR 736 Ca 0.18 -2.54 0.00 0.00 -2.44 0.00 0.00 57.07 52.27 2wyh s TYR 736 Cb 0.03 -2.39 0.00 0.00 0.35 0.00 0.00 41.96 39.95 2wyh s TYR 736 CO 0.01 -0.88 0.00 0.41 -1.34 0.00 0.00 175.55 173.75 2wyh n GLY 737 N 4.22 0.86 3.15 8.97 0.00 -1.26 -4.61 105.19 116.52 2wyh n GLY 737 Ca 0.03 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 2wyh n GLY 737 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wyh s LEU 738 N -3.26 5.63 0.00 0.99 1.43 -1.26 -3.90 118.68 118.30 2wyh s LEU 738 Ca 0.00 -3.21 0.27 0.00 -1.03 0.00 0.00 54.13 50.16 2wyh s LEU 738 Cb 0.00 -1.94 0.84 0.00 0.03 0.00 0.00 46.19 45.12 2wyh s LEU 738 CO 0.00 -0.32 1.62 0.59 0.23 0.00 0.00 176.35 178.47 2wyh n ASN 739 N 3.06 1.56 -4.39 2.29 5.03 -1.26 -4.77 115.26 116.78 2wyh n ASN 739 Ca 0.15 -1.40 -0.33 0.00 0.87 0.00 0.00 54.58 53.87 2wyh n ASN 739 Cb 0.39 0.05 -0.14 0.00 -1.02 0.00 0.00 39.78 39.06 2wyh n ASN 739 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2wyh s GLU 740 N -2.15 3.43 0.23 3.52 2.12 -1.26 -1.03 118.70 123.57 2wyh s GLU 740 Ca 0.33 -0.65 0.02 0.00 0.36 0.00 0.00 54.97 55.02 2wyh s GLU 740 Cb 0.20 -2.70 -0.05 0.00 0.26 0.00 0.00 34.13 31.85 2wyh s GLU 740 CO 0.39 0.20 0.04 1.52 -0.54 0.00 0.00 175.26 176.87 2wyh s TYR 741 N 0.40 1.47 -0.02 5.30 -0.85 -0.81 -2.03 117.35 120.81 2wyh s TYR 741 Ca -0.09 -1.05 -0.04 0.00 -0.52 0.00 0.00 57.07 55.37 2wyh s TYR 741 Cb -0.16 -0.86 0.00 0.00 0.38 0.00 0.00 41.96 41.33 2wyh s TYR 741 CO 0.05 -0.20 0.09 -2.00 -1.52 0.00 0.00 175.55 171.97 2wyh s GLU 742 N -3.94 0.22 -0.20 -3.49 2.12 -0.20 -0.83 118.70 112.38 2wyh s GLU 742 Ca 0.31 -0.09 -0.13 0.00 0.36 0.00 0.00 54.97 55.42 2wyh s GLU 742 Cb 0.07 0.10 -0.05 0.00 0.26 0.00 0.00 34.13 34.51 2wyh s GLU 742 CO 0.10 -0.04 0.28 0.42 -0.54 0.00 0.00 175.26 175.47 2wyh s ILE 743 N -0.48 5.29 -0.55 -3.70 -1.09 -1.26 -0.96 121.20 118.46 2wyh s ILE 743 Ca -0.06 0.48 -0.17 0.00 -2.23 0.00 0.00 60.65 58.67 2wyh s ILE 743 Cb -0.04 -3.62 0.11 0.00 -1.58 0.00 0.00 42.46 37.34 2wyh s ILE 743 CO 0.00 0.34 0.58 -0.76 -1.23 0.00 0.00 174.94 173.87 2wyh s LEU 744 N 0.87 5.71 0.53 2.97 1.43 0.03 -4.93 118.68 125.29 2wyh s LEU 744 Ca 0.14 -1.53 0.28 0.00 -1.03 0.00 0.00 54.13 51.99 2wyh s LEU 744 Cb -0.13 -2.26 1.47 0.00 0.03 0.00 0.00 46.19 45.29 2wyh s LEU 744 CO 0.05 -0.94 2.08 1.55 0.23 0.00 0.00 176.35 179.31 2wyh h PRO 745 N 9.00 0.00 0.00 1.29 0.13 -1.87 -0.06 132.00 140.50 2wyh h PRO 745 Ca -0.29 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.76 2wyh h PRO 745 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2wyh h PRO 745 CO 1.04 0.11 -0.38 -0.44 -0.23 0.00 0.00 178.00 178.10 2wyh h ASP 746 N 0.00 0.00 0.00 1.44 3.32 -1.93 -3.20 116.42 116.05 2wyh h ASP 746 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wyh h ASP 746 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2wyh h ASP 746 CO 0.01 0.38 0.00 0.35 -1.72 0.00 0.00 179.24 178.26 2wyh n THR 747 N -4.02 0.31 -4.05 0.35 -2.24 -1.12 -5.02 114.28 98.49 2wyh n THR 747 Ca -0.02 -0.57 -0.44 0.00 -2.27 0.00 0.00 64.05 60.75 2wyh n THR 747 Cb 0.42 0.95 0.01 0.00 -2.10 0.00 0.00 70.33 69.61 2wyh n THR 747 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wyh n ASN 748 N -0.15 -3.84 -4.72 3.42 3.02 -0.11 -0.76 115.26 112.11 2wyh n ASN 748 Ca 0.00 -1.27 -0.39 0.00 -0.03 0.00 0.00 54.58 52.89 2wyh n ASN 748 Cb 0.13 -1.86 -0.05 0.00 -0.61 0.00 0.00 39.78 37.39 2wyh n ASN 748 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2wyh s THR 749 N -3.59 5.07 -0.30 3.41 2.01 -0.72 -2.08 115.64 119.44 2wyh s THR 749 Ca 0.45 1.27 -0.20 0.00 0.31 0.00 0.00 61.69 63.51 2wyh s THR 749 Cb -0.24 -3.96 -0.01 0.00 0.01 0.00 0.00 72.50 68.30 2wyh s THR 749 CO 0.96 0.30 0.64 -0.63 -0.69 0.00 0.00 174.62 175.20 2wyh s ILE 750 N 0.60 4.93 -0.23 1.82 1.01 -0.37 -0.79 121.20 128.18 2wyh s ILE 750 Ca 0.33 0.88 -0.05 0.00 0.00 0.00 0.00 60.65 61.81 2wyh s ILE 750 Cb -0.17 -4.00 -0.01 0.00 0.01 0.00 0.00 42.46 38.28 2wyh s ILE 750 CO 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 174.94 174.96 2wyh s ALA 751 N 2.62 2.93 -0.17 9.38 0.00 -0.13 -0.28 121.76 136.11 2wyh s ALA 751 Ca 0.26 -1.17 -0.06 0.00 0.00 0.00 0.00 51.96 50.99 2wyh s ALA 751 Cb -0.15 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 2wyh s ALA 751 CO 0.12 -0.47 0.03 0.42 0.00 0.00 0.00 175.76 175.86 2wyh s ILE 752 N 1.52 4.53 -0.21 0.00 -1.09 0.25 -1.04 121.20 125.18 2wyh s ILE 752 Ca 0.06 -0.13 -0.26 0.00 -2.23 0.00 0.00 60.65 58.09 2wyh s ILE 752 Cb -0.15 -3.02 -0.01 0.00 -1.58 0.00 0.00 42.46 37.70 2wyh s ILE 752 CO -0.01 0.48 0.88 -0.89 -1.23 0.00 0.00 174.94 174.17 2wyh s THR 753 N 0.31 4.82 -0.13 2.92 2.01 -0.86 -1.16 115.64 123.55 2wyh s THR 753 Ca 0.01 1.70 0.18 0.00 0.31 0.00 0.00 61.69 63.90 2wyh s THR 753 Cb -0.13 -4.17 -0.23 0.00 0.01 0.00 0.00 72.50 67.98 2wyh s THR 753 CO 0.01 -0.05 0.44 0.18 -0.69 0.00 0.00 174.62 174.51 2wyh n LEU 754 N 5.73 0.31 -3.64 4.42 4.77 0.34 -4.78 117.00 124.16 2wyh n LEU 754 Ca 0.06 0.14 -0.08 0.00 -0.03 0.00 0.00 56.01 56.10 2wyh n LEU 754 Cb 0.48 0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.72 2wyh n LEU 754 CO 0.49 0.25 0.43 -0.22 -1.33 0.00 0.00 177.39 177.01 2wyh s LEU 755 N -5.36 -0.82 -0.08 2.23 2.96 -0.96 -4.96 118.68 111.70 2wyh s LEU 755 Ca -0.07 1.38 -0.01 0.00 -0.22 0.00 0.00 54.13 55.21 2wyh s LEU 755 Cb 0.09 2.30 0.03 0.00 0.50 0.00 0.00 46.19 49.11 2wyh s LEU 755 CO 0.84 -0.22 -0.02 -0.60 -1.32 0.00 0.00 176.35 175.03 2wyh s ARG 756 N 1.22 0.84 -0.23 1.98 3.52 -1.25 -0.50 118.95 124.52 2wyh s ARG 756 Ca -0.07 0.01 -0.02 0.00 -0.13 0.00 0.00 55.73 55.53 2wyh s ARG 756 Cb -0.05 -1.12 0.01 0.00 -1.56 0.00 0.00 34.95 32.24 2wyh s ARG 756 CO -0.14 -0.29 -0.08 -1.12 -0.81 0.00 0.00 175.30 172.87 2wyh s SER 757 N 1.88 4.09 0.23 -2.12 0.01 0.77 -4.38 113.70 114.19 2wyh s SER 757 Ca 0.05 -0.69 0.01 0.00 1.31 0.00 0.00 55.95 56.63 2wyh s SER 757 Cb -0.12 -1.65 -0.05 0.00 0.21 0.00 0.00 66.02 64.41 2wyh s SER 757 CO -0.06 -0.07 0.08 0.68 0.41 0.00 0.00 173.24 174.28 2wyh s VAL 758 N 1.36 0.51 -0.06 3.43 -7.23 -1.09 -1.85 120.40 115.46 2wyh s VAL 758 Ca 0.03 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.21 2wyh s VAL 758 Cb -0.15 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.28 2wyh s VAL 758 CO -0.06 -0.09 0.95 0.61 -0.31 0.00 0.00 175.10 176.20 2wyh n GLY 759 N -0.40 2.36 3.21 2.32 0.00 -1.26 -2.08 105.19 109.34 2wyh n GLY 759 Ca -0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 2wyh n GLY 759 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wyh s GLU 760 N -0.87 0.83 -0.00 1.61 -1.05 -1.26 -0.61 118.70 117.35 2wyh s GLU 760 Ca 0.01 -0.89 -0.25 0.00 -0.15 0.00 0.00 54.97 53.70 2wyh s GLU 760 Cb 0.01 0.34 -0.17 0.00 -0.44 0.00 0.00 34.13 33.87 2wyh s GLU 760 CO 0.01 -0.26 1.21 1.98 0.95 0.00 0.00 175.26 179.15 2wyh h MET 761 N 2.84 -0.28 0.00 -4.83 1.85 -1.39 -2.92 114.93 110.20 2wyh h MET 761 Ca -0.34 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.77 2wyh h MET 761 Cb 1.20 0.06 0.00 0.00 0.43 0.00 0.00 31.60 33.29 2wyh h MET 761 CO 0.54 0.07 0.00 0.41 -0.40 0.00 0.00 176.91 177.54 2wyh n GLY 762 N -0.12 -0.48 7.00 1.39 0.00 -1.26 -2.01 105.19 109.71 2wyh n GLY 762 Ca -0.09 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.87 2wyh n GLY 762 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wyh n ASP 763 N 0.00 0.00 -0.00 1.61 2.03 -1.26 -3.82 116.55 115.11 2wyh n ASP 763 Ca 0.00 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.46 2wyh n ASP 763 Cb 0.00 0.00 0.76 0.00 -0.72 0.00 0.00 41.12 41.16 2wyh n ASP 763 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 2wyh n TRP 764 N 13.48 0.00 -3.12 -0.67 4.27 -1.26 -4.90 117.44 125.25 2wyh n TRP 764 Ca 0.00 0.00 -0.00 0.00 -3.89 0.00 0.00 57.50 53.61 2wyh n TRP 764 Cb 0.00 -0.29 0.00 0.00 -1.36 0.00 0.00 31.31 29.66 2wyh n TRP 764 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2wyh n GLY 765 N 1.29 2.19 3.47 -1.67 0.00 -1.25 -5.12 105.19 104.11 2wyh n GLY 765 Ca 0.14 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 2wyh n GLY 765 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2wyh s TYR 766 N -8.18 3.16 -0.43 1.61 5.04 -1.26 -4.47 117.35 112.83 2wyh s TYR 766 Ca 0.00 -0.45 0.03 0.00 -2.44 0.00 0.00 57.07 54.21 2wyh s TYR 766 Cb -0.00 -3.00 0.12 0.00 0.35 0.00 0.00 41.96 39.43 2wyh s TYR 766 CO 0.00 -0.75 0.18 -0.06 -1.34 0.00 0.00 175.55 173.58 2wyh s PHE 767 N 2.15 2.72 0.32 4.97 0.08 -1.26 -5.05 117.98 121.91 2wyh s PHE 767 Ca 0.12 -2.70 -0.29 0.00 0.12 0.00 0.00 56.93 54.18 2wyh s PHE 767 Cb -0.18 -2.40 -0.11 0.00 -0.57 0.00 0.00 43.02 39.77 2wyh s PHE 767 CO 0.13 -0.82 1.44 -1.25 -0.10 0.00 0.00 175.22 174.62 2wyh s PRO 768 N 0.44 4.22 -0.45 0.24 0.04 -1.26 -1.04 135.00 137.19 2wyh s PRO 768 Ca 0.15 2.41 0.05 0.00 0.04 0.00 0.00 61.00 63.65 2wyh s PRO 768 Cb -0.23 -3.04 0.18 0.00 0.04 0.00 0.00 34.50 31.46 2wyh s PRO 768 CO -0.05 -0.43 0.40 0.25 0.04 0.00 0.00 177.00 177.21 2wyh n THR 769 N 1.25 -0.65 0.19 1.26 -2.24 0.22 -4.74 114.28 109.56 2wyh n THR 769 Ca 0.03 -3.76 0.05 0.00 -2.27 0.00 0.00 64.05 58.11 2wyh n THR 769 Cb 0.40 -1.78 0.52 0.00 -2.10 0.00 0.00 70.33 67.36 2wyh n THR 769 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2wyh h PRO 770 N 5.32 0.10 0.00 -0.78 0.13 -1.88 -1.65 132.00 133.24 2wyh h PRO 770 Ca 0.22 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 2wyh h PRO 770 Cb 0.88 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2wyh h PRO 770 CO 0.44 0.18 0.00 0.39 -0.23 0.00 0.00 178.00 178.78 2wyh n GLU 771 N -4.40 0.16 0.00 0.86 1.02 -1.26 -1.58 120.64 115.43 2wyh n GLU 771 Ca -0.02 0.34 0.07 0.00 -0.02 0.00 0.00 57.16 57.54 2wyh n GLU 771 Cb 0.18 -1.77 0.36 0.00 -0.02 0.00 0.00 31.44 30.19 2wyh n GLU 771 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wyh n ALA 772 N -1.71 1.79 0.51 0.62 0.00 -0.62 -1.81 120.51 119.29 2wyh n ALA 772 Ca 0.03 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.53 2wyh n ALA 772 Cb 0.25 -1.25 0.46 0.00 0.00 0.00 0.00 19.45 18.91 2wyh n ALA 772 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wyh n GLN 773 N -1.36 0.19 -3.73 0.00 1.13 -0.62 -2.68 117.38 110.31 2wyh n GLN 773 Ca 0.06 0.32 -0.23 0.00 -1.94 0.00 0.00 57.00 55.22 2wyh n GLN 773 Cb 0.14 -1.81 0.03 0.00 0.11 0.00 0.00 30.24 28.71 2wyh n GLN 773 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wyh s LEU 775 N -6.78 3.52 0.00 0.00 1.43 -1.26 -4.72 118.68 110.87 2wyh s LEU 775 Ca 0.11 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.19 2wyh s LEU 775 Cb -0.06 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.61 2wyh s LEU 775 CO 0.81 -1.37 0.00 0.61 0.23 0.00 0.00 176.35 176.64 2wyh n GLY 776 N -0.51 -1.12 3.75 -3.19 0.00 0.08 -4.90 105.19 99.30 2wyh n GLY 776 Ca 0.10 -2.13 -0.40 0.00 0.00 0.00 0.00 46.02 43.59 2wyh n GLY 776 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wyh s LYS 777 N 0.00 4.80 0.07 1.61 1.02 -1.26 -0.59 119.74 125.39 2wyh s LYS 777 Ca 0.00 1.56 0.05 0.00 0.02 0.00 0.00 55.97 57.60 2wyh s LYS 777 Cb 0.00 -3.24 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 2wyh s LYS 777 CO 0.00 0.44 -0.14 -1.01 -0.92 0.00 0.00 175.35 173.72 2wyh s HIS 778 N -1.19 1.20 -0.16 3.18 3.76 0.06 -4.93 115.29 117.21 2wyh s HIS 778 Ca 0.42 -0.47 -0.04 0.00 -0.15 0.00 0.00 55.06 54.82 2wyh s HIS 778 Cb -0.27 -0.68 0.07 0.00 1.11 0.00 0.00 32.58 32.81 2wyh s HIS 778 CO 0.34 0.05 0.13 0.45 -0.85 0.00 0.00 174.74 174.87 2wyh s SER 779 N -1.77 1.87 -0.11 1.40 0.15 -1.26 -2.55 113.70 111.44 2wyh s SER 779 Ca -0.02 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2wyh s SER 779 Cb -0.10 -0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.17 2wyh s SER 779 CO 0.02 -0.33 -0.12 -0.76 1.20 0.00 0.00 173.24 173.26 2wyh s LEU 780 N 2.21 2.82 -0.04 3.45 2.01 0.25 -4.93 118.68 124.44 2wyh s LEU 780 Ca 0.04 -0.25 0.05 0.00 0.01 0.00 0.00 54.13 53.98 2wyh s LEU 780 Cb -0.15 -1.63 -0.02 0.00 0.01 0.00 0.00 46.19 44.40 2wyh s LEU 780 CO -0.09 0.22 -0.20 -0.44 1.01 0.00 0.00 176.35 176.85 2wyh s SER 781 N 0.02 3.54 0.21 2.29 0.01 -1.26 -0.55 113.70 117.96 2wyh s SER 781 Ca -0.03 -0.35 -0.23 0.00 1.31 0.00 0.00 55.95 56.65 2wyh s SER 781 Cb -0.14 -0.69 0.05 0.00 0.21 0.00 0.00 66.02 65.45 2wyh s SER 781 CO 0.04 0.31 0.90 -0.72 0.41 0.00 0.00 173.24 174.18 2wyh s TYR 782 N -0.56 -0.09 0.09 2.43 -0.85 -0.78 -1.33 117.35 116.26 2wyh s TYR 782 Ca 0.08 -0.30 -0.11 0.00 -0.52 0.00 0.00 57.07 56.22 2wyh s TYR 782 Cb -0.11 0.68 0.01 0.00 0.38 0.00 0.00 41.96 42.92 2wyh s TYR 782 CO 0.01 -1.01 0.24 -1.54 -1.52 0.00 0.00 175.55 171.73 2wyh s SER 783 N -3.01 0.02 -0.05 -0.18 1.04 -0.55 -0.65 113.70 110.32 2wyh s SER 783 Ca 0.14 -0.53 0.05 0.00 0.48 0.00 0.00 55.95 56.08 2wyh s SER 783 Cb -0.03 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 2wyh s SER 783 CO 0.05 -0.74 -0.21 0.12 0.98 0.00 0.00 173.24 173.44 2wyh s PHE 784 N -3.69 2.07 -0.01 5.02 5.36 -0.45 -2.02 117.98 124.26 2wyh s PHE 784 Ca 0.03 -0.64 0.00 0.00 -0.96 0.00 0.00 56.93 55.37 2wyh s PHE 784 Cb 0.03 -1.38 0.02 0.00 -0.34 0.00 0.00 43.02 41.36 2wyh s PHE 784 CO -0.10 -0.21 0.01 -2.00 -1.46 0.00 0.00 175.22 171.46 2wyh s GLU 785 N 0.01 0.03 -0.18 10.12 2.12 -0.45 -0.75 118.70 129.60 2wyh s GLU 785 Ca -0.06 0.10 -0.17 0.00 0.36 0.00 0.00 54.97 55.20 2wyh s GLU 785 Cb -0.13 -0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.01 2wyh s GLU 785 CO 0.03 -0.10 0.47 0.45 -0.54 0.00 0.00 175.26 175.57 2wyh s SER 786 N 0.69 6.55 0.22 -1.70 0.15 -1.26 -1.03 113.70 117.32 2wyh s SER 786 Ca -0.06 0.66 0.11 0.00 0.70 0.00 0.00 55.95 57.36 2wyh s SER 786 Cb -0.09 -2.27 -0.05 0.00 -1.71 0.00 0.00 66.02 61.91 2wyh s SER 786 CO -0.02 -0.09 -0.18 0.27 1.20 0.00 0.00 173.24 174.42 2wyh s ILE 787 N 1.24 2.63 0.51 6.45 -4.36 -0.07 -4.99 121.20 122.61 2wyh s ILE 787 Ca 0.23 -2.06 0.02 0.00 -0.26 0.00 0.00 60.65 58.58 2wyh s ILE 787 Cb -0.15 -2.32 -0.01 0.00 1.25 0.00 0.00 42.46 41.23 2wyh s ILE 787 CO 0.09 -0.21 0.04 0.42 0.24 0.00 0.00 174.94 175.51 2wyh s THR 788 N -1.96 1.26 0.28 8.37 -4.23 -1.26 -1.09 115.64 117.01 2wyh s THR 788 Ca 0.25 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 58.82 2wyh s THR 788 Cb -0.07 -2.22 0.27 0.00 1.34 0.00 0.00 72.50 71.82 2wyh s THR 788 CO 0.13 0.00 1.78 0.50 -0.54 0.00 0.00 174.62 176.49 2wyh h LYS 789 N 1.33 0.70 0.00 3.99 1.63 -1.72 -0.58 116.57 121.92 2wyh h LYS 789 Ca -0.43 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.31 2wyh h LYS 789 Cb 1.31 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 32.78 2wyh h LYS 789 CO 0.73 0.46 -0.05 1.96 -3.45 0.00 0.00 179.45 179.11 2wyh h GLN 790 N 0.72 0.00 -0.00 1.90 7.50 -1.96 -3.27 115.11 119.99 2wyh h GLN 790 Ca 0.51 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.66 2wyh h GLN 790 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.24 2wyh h GLN 790 CO -0.36 0.05 -0.00 0.25 -1.50 0.00 0.00 178.83 177.27 2wyh n THR 791 N -3.16 0.00 -0.03 -0.54 -2.24 -0.87 -4.81 114.28 102.63 2wyh n THR 791 Ca 0.01 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.19 2wyh n THR 791 Cb 0.34 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.53 2wyh n THR 791 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2wyh h GLN 792 N 0.04 -0.34 -0.15 -0.78 4.15 -1.18 -0.66 115.11 116.18 2wyh h GLN 792 Ca 0.00 0.02 -0.16 0.00 0.77 0.00 0.00 58.65 59.29 2wyh h GLN 792 Cb 0.01 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 2wyh h GLN 792 CO 0.00 -0.23 -0.57 0.74 -1.93 0.00 0.00 178.83 176.85 2wyh h PHE 793 N -0.35 0.60 -0.13 3.99 0.04 -1.87 -2.57 116.94 116.65 2wyh h PHE 793 Ca 0.12 -0.22 -0.06 0.00 2.80 0.00 0.00 57.97 60.61 2wyh h PHE 793 Cb 0.54 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 2wyh h PHE 793 CO -0.44 0.93 -0.18 0.00 -0.60 0.00 0.00 178.31 178.01 2wyh h ALA 794 N 1.02 1.45 0.00 2.45 0.00 -1.71 -0.94 119.26 121.54 2wyh h ALA 794 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2wyh h ALA 794 Cb 1.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2wyh h ALA 794 CO 0.10 0.39 -0.17 0.66 0.00 0.00 0.00 179.25 180.23 2wyh h SER 795 N 0.20 0.00 0.02 0.00 4.64 -0.71 -0.10 113.55 117.60 2wyh h SER 795 Ca 0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2wyh h SER 795 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2wyh h SER 795 CO 0.03 0.17 -0.01 1.88 -0.87 0.00 0.00 176.83 178.03 2wyh h TYR 796 N 0.00 -0.02 0.00 4.77 0.05 -1.00 -2.57 116.97 118.20 2wyh h TYR 796 Ca -0.00 -0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 2wyh h TYR 796 Cb 0.35 0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 2wyh h TYR 796 CO 0.00 0.70 -0.30 0.11 -1.05 0.00 0.00 178.16 177.62 2wyh h TRP 797 N -0.80 0.00 -0.65 4.88 5.08 -1.38 -2.25 115.95 120.83 2wyh h TRP 797 Ca -0.00 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.94 2wyh h TRP 797 Cb 0.73 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.86 2wyh h TRP 797 CO 0.18 0.30 0.31 0.00 -1.28 0.00 0.00 178.44 177.95 2wyh h ARG 798 N 0.00 0.94 -0.50 0.12 3.08 -1.07 0.32 114.38 117.27 2wyh h ARG 798 Ca -0.00 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 2wyh h ARG 798 Cb 0.58 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 2wyh h ARG 798 CO 0.04 0.75 0.11 0.00 -1.07 0.00 0.00 179.97 179.80 2wyh h ALA 799 N 1.14 1.26 0.10 0.04 0.00 -1.04 0.25 119.26 121.02 2wyh h ALA 799 Ca 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2wyh h ALA 799 Cb 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2wyh h ALA 799 CO -0.03 0.52 -0.05 1.96 0.00 0.00 0.00 179.25 181.65 2wyh h GLN 800 N 0.74 -0.14 0.00 0.00 4.20 -1.14 -3.36 115.11 115.41 2wyh h GLN 800 Ca 0.16 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 2wyh h GLN 800 Cb 0.29 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2wyh h GLN 800 CO -0.00 0.37 -0.19 0.93 -0.67 0.00 0.00 178.83 179.26 2wyh h GLU 801 N -0.85 0.00 0.00 1.46 5.08 -0.37 -2.91 114.58 116.98 2wyh h GLU 801 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2wyh h GLU 801 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2wyh h GLU 801 CO 0.02 0.19 0.00 0.41 -1.00 0.00 0.00 179.01 178.64 2wyh n GLY 802 N 0.99 -0.78 0.00 -3.84 0.00 0.89 -1.14 105.19 101.31 2wyh n GLY 802 Ca 0.03 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.15 2wyh n GLY 802 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wyh n GLN 803 N -1.46 0.33 -4.08 1.61 6.02 -1.10 -4.77 117.38 113.94 2wyh n GLN 803 Ca 0.03 0.02 -0.32 0.00 -0.01 0.00 0.00 57.00 56.72 2wyh n GLN 803 Cb 0.10 -1.50 -0.16 0.00 1.02 0.00 0.00 30.24 29.71 2wyh n GLN 803 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2wyh s VAL 804 N -2.64 1.98 0.68 5.09 1.01 -0.29 -5.04 120.40 121.18 2wyh s VAL 804 Ca 0.24 -1.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 2wyh s VAL 804 Cb 0.19 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.66 2wyh s VAL 804 CO 0.44 0.33 1.06 -2.16 0.00 0.00 0.00 175.10 174.78 2wyh s PRO 805 N 1.28 2.97 0.27 2.72 0.04 -1.26 -5.00 135.00 136.02 2wyh s PRO 805 Ca 0.01 1.01 -0.30 0.00 0.04 0.00 0.00 61.00 61.76 2wyh s PRO 805 Cb -0.15 -1.99 -0.13 0.00 0.04 0.00 0.00 34.50 32.26 2wyh s PRO 805 CO -0.10 -1.07 1.30 0.28 0.04 0.00 0.00 177.00 177.45 2wyh n VAL 806 N -2.94 1.36 -3.94 -0.36 0.31 -1.26 -4.83 118.33 106.66 2wyh n VAL 806 Ca 0.08 -0.34 -0.36 0.00 -0.01 0.00 0.00 64.34 63.71 2wyh n VAL 806 Cb 0.53 -1.37 -0.06 0.00 -0.91 0.00 0.00 33.84 32.03 2wyh n VAL 806 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2wyh s ILE 807 N -0.47 5.35 0.10 2.52 -1.09 -0.41 -4.93 121.20 122.27 2wyh s ILE 807 Ca 0.64 0.11 0.05 0.00 -2.23 0.00 0.00 60.65 59.22 2wyh s ILE 807 Cb -0.66 -3.34 -0.03 0.00 -1.58 0.00 0.00 42.46 36.85 2wyh s ILE 807 CO 0.55 0.59 -0.12 0.42 -1.23 0.00 0.00 174.94 175.14 2wyh s THR 808 N -1.04 1.11 0.02 2.92 -4.23 -1.26 -0.11 115.64 113.05 2wyh s THR 808 Ca 0.16 -1.56 -0.15 0.00 -1.18 0.00 0.00 61.69 58.96 2wyh s THR 808 Cb -0.12 -1.32 0.02 0.00 1.34 0.00 0.00 72.50 72.43 2wyh s THR 808 CO 0.05 -0.42 0.33 0.28 -0.54 0.00 0.00 174.62 174.33 2wyh s THR 809 N -2.00 0.07 0.08 3.99 -1.32 -0.87 -5.00 115.64 110.59 2wyh s THR 809 Ca 0.04 -0.57 0.02 0.00 -1.21 0.00 0.00 61.69 59.97 2wyh s THR 809 Cb -0.06 -0.85 -0.04 0.00 -1.51 0.00 0.00 72.50 70.04 2wyh s THR 809 CO 0.02 -0.31 0.15 -1.10 -2.21 0.00 0.00 174.62 171.17 2wyh s GLN 810 N -2.16 3.15 0.11 7.08 -0.21 -1.26 -0.55 119.66 125.82 2wyh s GLN 810 Ca -0.08 -0.59 -0.12 0.00 0.02 0.00 0.00 55.36 54.59 2wyh s GLN 810 Cb -0.02 -2.87 0.01 0.00 1.00 0.00 0.00 33.01 31.13 2wyh s GLN 810 CO -0.01 0.58 0.29 -0.08 -2.12 0.00 0.00 175.29 173.95 2wyh s THR 811 N -1.48 0.11 0.46 -0.19 -1.32 -1.04 -4.96 115.64 107.21 2wyh s THR 811 Ca 0.32 -0.92 -0.03 0.00 -1.21 0.00 0.00 61.69 59.85 2wyh s THR 811 Cb -0.12 -1.30 0.10 0.00 -1.51 0.00 0.00 72.50 69.67 2wyh s THR 811 CO 0.25 -0.48 0.63 0.59 -2.21 0.00 0.00 174.62 173.40 2wyh n ASN 812 N -0.15 0.52 -4.68 8.08 3.02 -1.26 -3.53 115.26 117.26 2wyh n ASN 812 Ca -0.15 -1.51 -0.42 0.00 -0.03 0.00 0.00 54.58 52.47 2wyh n ASN 812 Cb 0.63 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 39.34 2wyh n ASN 812 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2wyh s GLN 813 N -4.16 4.39 0.03 3.52 1.11 -1.26 -4.79 119.66 118.50 2wyh s GLN 813 Ca 0.39 1.28 -0.27 0.00 0.01 0.00 0.00 55.36 56.77 2wyh s GLN 813 Cb -0.02 -3.55 0.08 0.00 -1.01 0.00 0.00 33.01 28.52 2wyh s GLN 813 CO 0.26 -0.31 0.72 -3.38 0.01 0.00 0.00 175.29 172.59 2wyh s HIS 814 N 2.03 -0.52 0.90 0.91 -3.43 -1.26 -4.96 115.29 108.95 2wyh s HIS 814 Ca 0.45 0.58 -0.11 0.00 -0.80 0.00 0.00 55.06 55.19 2wyh s HIS 814 Cb -0.18 0.50 0.14 0.00 -1.43 0.00 0.00 32.58 31.61 2wyh s HIS 814 CO 0.16 -0.67 1.14 0.39 -2.00 0.00 0.00 174.74 173.76 2wyh n GLU 815 N 0.15 -0.35 -3.58 -0.38 1.02 -1.26 -0.89 120.64 115.35 2wyh n GLU 815 Ca -0.15 -0.03 -0.07 0.00 -0.02 0.00 0.00 57.16 56.88 2wyh n GLU 815 Cb 0.61 -2.38 -0.02 0.00 -0.02 0.00 0.00 31.44 29.64 2wyh n GLU 815 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2wyh s GLY 816 N -2.53 -0.40 0.07 0.62 0.00 -1.26 -4.51 107.32 99.31 2wyh s GLY 816 Ca 0.68 0.65 0.24 0.00 0.00 0.00 0.00 44.72 46.28 2wyh s GLY 816 CO 0.57 0.20 1.20 -1.30 0.00 0.00 0.00 173.10 173.78 2wyh n THR 817 N -0.33 0.21 -3.93 0.90 -2.24 -0.13 -4.24 114.28 104.52 2wyh n THR 817 Ca -0.09 -0.21 -0.33 0.00 -2.27 0.00 0.00 64.05 61.15 2wyh n THR 817 Cb 0.62 0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.89 2wyh n THR 817 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2wyh s LEU 818 N -3.88 4.31 0.57 3.22 1.43 -0.41 -4.95 118.68 118.97 2wyh s LEU 818 Ca 0.06 0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 53.29 2wyh s LEU 818 Cb 0.14 -2.66 -0.05 0.00 0.03 0.00 0.00 46.19 43.66 2wyh s LEU 818 CO 0.75 0.24 1.08 0.00 0.23 0.00 0.00 176.35 178.65 2wyh s ALA 819 N -1.35 2.72 -0.13 4.21 0.00 -1.26 -0.93 121.76 125.01 2wyh s ALA 819 Ca 0.29 0.55 0.30 0.00 0.00 0.00 0.00 51.96 53.10 2wyh s ALA 819 Cb -0.13 -3.28 1.15 0.00 0.00 0.00 0.00 23.12 20.87 2wyh s ALA 819 CO 0.20 -0.76 1.87 0.00 0.00 0.00 0.00 175.76 177.08 2wyh h ALA 820 N 0.79 1.00 -3.48 0.00 0.00 -1.96 -3.42 119.26 112.20 2wyh h ALA 820 Ca -0.48 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.11 2wyh h ALA 820 Cb 1.23 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 18.67 2wyh h ALA 820 CO 0.57 0.00 -0.73 -2.00 0.00 0.00 0.00 179.25 177.09 2wyh s GLU 821 N -3.51 -0.01 -0.25 0.00 2.12 -1.26 -0.74 118.70 115.04 2wyh s GLU 821 Ca 0.03 0.21 -0.23 0.00 0.36 0.00 0.00 54.97 55.35 2wyh s GLU 821 Cb 0.09 -0.32 0.07 0.00 0.26 0.00 0.00 34.13 34.22 2wyh s GLU 821 CO 0.52 -0.20 0.67 -0.47 -0.54 0.00 0.00 175.26 175.24 2wyh s TYR 822 N 1.28 -0.76 -0.21 5.30 5.04 -0.85 -5.01 117.35 122.14 2wyh s TYR 822 Ca -0.06 1.83 -0.05 0.00 -2.44 0.00 0.00 57.07 56.34 2wyh s TYR 822 Cb -0.13 0.28 -0.02 0.00 0.35 0.00 0.00 41.96 42.44 2wyh s TYR 822 CO -0.03 -0.37 0.00 -1.12 -1.34 0.00 0.00 175.55 172.69 2wyh s SER 823 N 0.47 4.79 0.30 4.32 0.01 -1.26 -1.40 113.70 120.92 2wyh s SER 823 Ca -0.01 -0.23 0.17 0.00 1.31 0.00 0.00 55.95 57.20 2wyh s SER 823 Cb -0.05 -1.82 0.11 0.00 0.21 0.00 0.00 66.02 64.47 2wyh s SER 823 CO -0.01 0.04 1.42 0.22 0.41 0.00 0.00 173.24 175.32 2wyh h TYR 824 N 7.68 0.00 -3.92 2.43 5.03 -1.19 -3.46 116.97 123.54 2wyh h TYR 824 Ca -0.37 0.00 -0.23 0.00 2.58 0.00 0.00 58.73 60.71 2wyh h TYR 824 Cb 1.18 0.00 -0.17 0.00 1.55 0.00 0.00 36.73 39.28 2wyh h TYR 824 CO 0.60 0.36 -0.71 -0.48 -1.32 0.00 0.00 178.16 176.61 2wyh s LEU 825 N -6.29 2.40 0.00 2.82 0.05 -1.26 -3.96 118.68 112.44 2wyh s LEU 825 Ca 0.04 -0.81 0.05 0.00 0.05 0.00 0.00 54.13 53.46 2wyh s LEU 825 Cb 0.07 -0.07 -0.02 0.00 -2.05 0.00 0.00 46.19 44.12 2wyh s LEU 825 CO 0.73 -0.38 0.19 0.35 -0.55 0.00 0.00 176.35 176.69 2wyh n THR 826 N 0.61 0.00 -2.67 5.48 -2.24 0.84 -4.83 114.28 111.47 2wyh n THR 826 Ca -0.17 -2.28 -0.06 0.00 -2.27 0.00 0.00 64.05 59.28 2wyh n THR 826 Cb 0.58 0.94 0.02 0.00 -2.10 0.00 0.00 70.33 69.77 2wyh n THR 826 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wyh n GLY 827 N -0.64 0.43 3.80 3.38 0.00 -1.26 -1.19 105.19 109.71 2wyh n GLY 827 Ca -0.01 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 2wyh n GLY 827 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wyh s THR 828 N -3.09 3.81 -0.02 2.61 -4.23 -1.26 -2.43 115.64 111.03 2wyh s THR 828 Ca 0.11 1.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.63 2wyh s THR 828 Cb -0.05 -3.43 0.01 0.00 1.34 0.00 0.00 72.50 70.38 2wyh s THR 828 CO 0.20 -0.37 -0.03 0.21 -0.54 0.00 0.00 174.62 174.09 2wyh s ASN 829 N -2.35 0.59 0.47 3.99 3.84 -1.26 -4.95 114.94 115.27 2wyh s ASN 829 Ca 0.66 -0.08 0.17 0.00 0.21 0.00 0.00 52.86 53.82 2wyh s ASN 829 Cb -0.16 -0.19 1.16 0.00 -0.55 0.00 0.00 41.25 41.52 2wyh s ASN 829 CO 0.28 -0.01 2.01 0.44 -2.79 0.00 0.00 177.10 177.03 2wyh h ASP 830 N 6.60 0.21 0.28 -4.21 3.32 -1.97 -1.85 116.42 118.78 2wyh h ASP 830 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 2wyh h ASP 830 Cb 1.17 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2wyh h ASP 830 CO 0.49 0.13 -0.12 1.67 -1.72 0.00 0.00 179.24 179.69 2wyh n GLN 831 N -4.46 0.84 -3.90 3.56 7.27 -1.26 -4.42 117.38 115.01 2wyh n GLN 831 Ca 0.08 -0.34 -0.35 0.00 0.07 0.00 0.00 57.00 56.45 2wyh n GLN 831 Cb 0.38 -1.49 -0.14 0.00 2.41 0.00 0.00 30.24 31.40 2wyh n GLN 831 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2wyh s VAL 832 N -2.40 3.26 0.13 1.69 1.01 -0.70 -0.48 120.40 122.92 2wyh s VAL 832 Ca 0.30 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.31 2wyh s VAL 832 Cb 0.20 -2.60 -0.07 0.00 0.00 0.00 0.00 36.38 33.91 2wyh s VAL 832 CO 0.46 0.26 0.65 0.00 0.00 0.00 0.00 175.10 176.47 2wyh s ALA 833 N 1.42 3.52 -0.23 5.51 0.00 -0.00 -4.61 121.76 127.35 2wyh s ALA 833 Ca 0.03 0.13 -0.11 0.00 0.00 0.00 0.00 51.96 52.01 2wyh s ALA 833 Cb -0.16 -2.74 -0.05 0.00 0.00 0.00 0.00 23.12 20.17 2wyh s ALA 833 CO -0.03 0.36 0.16 -1.17 0.00 0.00 0.00 175.76 175.09 2wyh s LEU 834 N -1.38 4.13 -0.02 0.00 2.96 -1.26 -1.30 118.68 121.80 2wyh s LEU 834 Ca 0.34 0.13 0.05 0.00 -0.22 0.00 0.00 54.13 54.44 2wyh s LEU 834 Cb -0.19 -2.12 -0.07 0.00 0.50 0.00 0.00 46.19 44.31 2wyh s LEU 834 CO 0.21 0.07 0.07 0.35 -1.32 0.00 0.00 176.35 175.73 2wyh n THR 835 N 4.21 0.14 -4.36 3.68 -2.24 0.44 -4.71 114.28 111.44 2wyh n THR 835 Ca -0.15 -0.15 -0.19 0.00 -2.27 0.00 0.00 64.05 61.29 2wyh n THR 835 Cb 0.52 -0.15 -0.14 0.00 -2.10 0.00 0.00 70.33 68.45 2wyh n THR 835 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wyh s ALA 836 N -2.25 0.81 -0.34 6.98 0.00 -1.10 -4.85 121.76 121.01 2wyh s ALA 836 Ca -0.02 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.49 2wyh s ALA 836 Cb 0.02 -0.18 0.15 0.00 0.00 0.00 0.00 23.12 23.12 2wyh s ALA 836 CO 0.20 0.18 0.39 0.12 0.00 0.00 0.00 175.76 176.65 2wyh s PHE 837 N -0.37 -0.58 0.00 0.00 5.36 -1.25 -1.84 117.98 119.29 2wyh s PHE 837 Ca 0.02 -0.38 0.00 0.00 -0.96 0.00 0.00 56.93 55.62 2wyh s PHE 837 Cb -0.05 -0.31 0.00 0.00 -0.34 0.00 0.00 43.02 42.32 2wyh s PHE 837 CO -0.00 -0.98 0.00 0.36 -1.46 0.00 0.00 175.22 173.14 2wyh n LYS 838 N 4.70 0.00 -4.41 10.12 2.85 -0.35 -2.22 118.16 128.85 2wyh n LYS 838 Ca 0.06 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.09 2wyh n LYS 838 Cb 0.47 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.74 2wyh n LYS 838 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2wyh s ARG 839 N -1.84 1.50 -0.05 -1.58 1.81 -1.26 -0.41 118.95 117.11 2wyh s ARG 839 Ca 0.00 -1.61 -0.15 0.00 -1.72 0.00 0.00 55.73 52.25 2wyh s ARG 839 Cb 0.00 -1.59 -0.05 0.00 -0.45 0.00 0.00 34.95 32.86 2wyh s ARG 839 CO 0.00 0.31 0.40 0.50 -0.68 0.00 0.00 175.30 175.83 2wyh s ARG 840 N -3.20 4.05 0.13 3.54 3.52 0.30 -4.81 118.95 122.49 2wyh s ARG 840 Ca 0.24 0.36 -0.18 0.00 -0.13 0.00 0.00 55.73 56.01 2wyh s ARG 840 Cb -0.05 -3.30 -0.03 0.00 -1.56 0.00 0.00 34.95 30.01 2wyh s ARG 840 CO 0.11 0.50 1.77 1.25 -0.81 0.00 0.00 175.30 178.12 2wyh h LEU 841 N 5.47 0.23 -0.44 -0.88 5.85 -1.97 0.87 115.31 124.43 2wyh h LEU 841 Ca -0.48 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.32 2wyh h LEU 841 Cb 1.20 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.13 2wyh h LEU 841 CO 0.67 0.17 0.06 0.00 -0.34 0.00 0.00 178.44 179.00 2wyh h ALA 842 N 1.12 0.46 0.00 1.25 0.00 -1.98 -3.37 119.26 116.74 2wyh h ALA 842 Ca 0.10 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2wyh h ALA 842 Cb 0.01 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2wyh h ALA 842 CO -0.06 -0.34 0.00 -0.40 0.00 0.00 0.00 179.25 178.46 2wyh n ASP 843 N -5.13 0.00 -2.13 0.00 5.75 -1.21 -5.02 116.55 108.81 2wyh n ASP 843 Ca 0.04 -1.00 -0.19 0.00 -0.01 0.00 0.00 54.79 53.63 2wyh n ASP 843 Cb 0.21 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.27 2wyh n ASP 843 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2wyh n ASN 844 N 0.00 -5.40 -4.75 -1.12 3.02 0.30 -4.97 115.26 102.33 2wyh n ASN 844 Ca 0.00 0.17 -0.37 0.00 -0.03 0.00 0.00 54.58 54.36 2wyh n ASN 844 Cb 0.45 -4.60 0.04 0.00 -0.61 0.00 0.00 39.78 35.06 2wyh n ASN 844 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wyh s ALA 845 N -2.86 2.57 -0.21 5.41 0.00 -1.26 -4.62 121.76 120.79 2wyh s ALA 845 Ca 0.00 1.11 -0.26 0.00 0.00 0.00 0.00 51.96 52.81 2wyh s ALA 845 Cb 0.00 -3.49 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 2wyh s ALA 845 CO 0.00 -1.28 0.90 -1.17 0.00 0.00 0.00 175.76 174.21 2wyh s LEU 846 N -3.99 4.12 -0.19 0.00 0.20 -0.33 -0.54 118.68 117.94 2wyh s LEU 846 Ca 0.77 1.19 -0.12 0.00 0.69 0.00 0.00 54.13 56.66 2wyh s LEU 846 Cb -0.34 -3.32 -0.05 0.00 -0.43 0.00 0.00 46.19 42.06 2wyh s LEU 846 CO 0.37 -0.52 0.22 -0.63 -0.29 0.00 0.00 176.35 175.50 2wyh s ILE 847 N 2.70 5.35 0.10 6.68 -1.09 0.45 0.04 121.20 135.42 2wyh s ILE 847 Ca 0.39 0.36 0.08 0.00 -2.23 0.00 0.00 60.65 59.25 2wyh s ILE 847 Cb -0.16 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.13 2wyh s ILE 847 CO 0.09 0.39 -0.15 0.42 -1.23 0.00 0.00 174.94 174.46 2wyh s THR 848 N 0.62 3.07 -0.04 2.92 -4.23 -0.15 -1.21 115.64 116.61 2wyh s THR 848 Ca 0.12 -1.37 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 2wyh s THR 848 Cb -0.12 -2.41 0.02 0.00 1.34 0.00 0.00 72.50 71.33 2wyh s THR 848 CO 0.02 0.13 -0.05 -0.60 -0.54 0.00 0.00 174.62 173.58 2wyh s ARG 849 N -2.10 0.85 0.11 3.99 3.52 -0.77 -1.00 118.95 123.56 2wyh s ARG 849 Ca 0.19 -0.13 0.05 0.00 -0.13 0.00 0.00 55.73 55.71 2wyh s ARG 849 Cb -0.11 -0.84 -0.04 0.00 -1.56 0.00 0.00 34.95 32.41 2wyh s ARG 849 CO 0.11 -0.06 -0.12 -1.12 -0.81 0.00 0.00 175.30 173.30 2wyh s SER 850 N 0.82 1.73 0.06 -2.12 0.01 -0.46 -0.42 113.70 113.32 2wyh s SER 850 Ca -0.11 -0.81 -0.05 0.00 1.31 0.00 0.00 55.95 56.29 2wyh s SER 850 Cb -0.14 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.04 2wyh s SER 850 CO 0.00 -0.20 0.08 -0.72 0.41 0.00 0.00 173.24 172.81 2wyh s TYR 851 N -2.28 0.29 -0.27 2.43 -0.85 -0.42 -0.13 117.35 116.12 2wyh s TYR 851 Ca 0.07 -0.70 -0.29 0.00 -0.52 0.00 0.00 57.07 55.63 2wyh s TYR 851 Cb -0.04 -0.20 0.01 0.00 0.38 0.00 0.00 41.96 42.11 2wyh s TYR 851 CO 0.02 -0.42 1.17 1.21 -1.52 0.00 0.00 175.55 176.01 2wyh s ASN 852 N -2.56 6.89 0.00 -0.18 3.84 -0.62 -0.82 114.94 121.49 2wyh s ASN 852 Ca 0.01 1.28 0.11 0.00 0.21 0.00 0.00 52.86 54.47 2wyh s ASN 852 Cb 0.03 -2.54 0.68 0.00 -0.55 0.00 0.00 41.25 38.88 2wyh s ASN 852 CO -0.08 -0.88 1.12 0.18 -2.79 0.00 0.00 177.10 174.65 2wyh n LEU 853 N 6.94 0.00 -4.27 3.21 4.77 0.37 -4.37 117.00 123.65 2wyh n LEU 853 Ca 0.13 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.80 2wyh n LEU 853 Cb 0.46 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.39 2wyh n LEU 853 CO 0.58 0.00 -0.56 -0.55 -1.33 0.00 0.00 177.39 175.53 2wyh s SER 854 N -1.99 3.02 0.00 -1.43 0.15 -1.26 -4.27 113.70 107.91 2wyh s SER 854 Ca 0.17 -0.50 0.28 0.00 0.70 0.00 0.00 55.95 56.60 2wyh s SER 854 Cb 0.08 -0.74 1.01 0.00 -1.71 0.00 0.00 66.02 64.66 2wyh s SER 854 CO 0.13 0.25 1.73 0.59 1.20 0.00 0.00 173.24 177.14 2wyh n ASN 855 N 2.86 0.63 -0.04 5.45 3.02 -1.26 -1.46 115.26 124.46 2wyh n ASN 855 Ca -0.17 -0.59 -0.02 0.00 -0.03 0.00 0.00 54.58 53.77 2wyh n ASN 855 Cb 0.52 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.59 2wyh n ASN 855 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2wyh n ASP 856 N -0.93 2.01 -3.96 6.41 8.00 -1.26 -4.65 116.55 122.17 2wyh n ASP 856 Ca 0.12 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.50 2wyh n ASP 856 Cb 0.31 1.08 -0.13 0.00 -0.02 0.00 0.00 41.12 42.36 2wyh n ASP 856 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2wyh s LYS 857 N -2.51 0.29 1.06 -1.24 1.02 -1.26 -5.00 119.74 112.09 2wyh s LYS 857 Ca -0.06 -0.33 -0.15 0.00 0.02 0.00 0.00 55.97 55.45 2wyh s LYS 857 Cb 0.05 -0.16 0.22 0.00 -0.52 0.00 0.00 37.83 37.42 2wyh s LYS 857 CO 0.51 0.03 1.12 0.95 -0.92 0.00 0.00 175.35 177.04 2wyh s THR 858 N -0.61 1.87 0.19 2.17 -4.23 -1.26 -4.38 115.64 109.38 2wyh s THR 858 Ca -0.05 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.26 2wyh s THR 858 Cb -0.05 -2.56 0.05 0.00 1.34 0.00 0.00 72.50 71.28 2wyh s THR 858 CO -0.00 0.00 0.59 0.00 -0.54 0.00 0.00 174.62 174.67 2wyh s ASP 860 N -2.82 5.87 -0.28 0.00 2.15 -1.26 -0.30 116.67 120.04 2wyh s ASP 860 Ca 0.05 2.69 0.03 0.00 0.43 0.00 0.00 52.55 55.74 2wyh s ASP 860 Cb -0.02 -2.63 0.07 0.00 -0.30 0.00 0.00 42.92 40.03 2wyh s ASP 860 CO -0.07 -1.15 -0.07 0.12 -0.17 0.00 0.00 175.17 173.83 2wyh s PHE 861 N -1.31 3.35 -1.09 -5.34 5.36 0.41 -4.58 117.98 114.78 2wyh s PHE 861 Ca 0.63 -2.38 0.12 0.00 -0.96 0.00 0.00 56.93 54.34 2wyh s PHE 861 Cb -0.38 -2.11 0.00 0.00 -0.34 0.00 0.00 43.02 40.18 2wyh s PHE 861 CO 0.48 -0.88 0.70 0.43 -1.46 0.00 0.00 175.22 174.49 2wyh n SER 862 N 4.43 1.36 -4.63 6.13 7.64 -1.26 -4.50 113.62 122.79 2wyh n SER 862 Ca -0.11 -1.18 -0.55 0.00 1.01 0.00 0.00 58.87 58.04 2wyh n SER 862 Cb 0.42 0.44 -0.07 0.00 -1.01 0.00 0.00 64.21 64.00 2wyh n SER 862 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2wyh n LEU 863 N -0.17 1.77 -3.85 -3.43 7.94 -1.02 -4.39 117.00 113.85 2wyh n LEU 863 Ca 0.05 1.11 -0.14 0.00 -1.11 0.00 0.00 56.01 55.92 2wyh n LEU 863 Cb 0.25 -1.15 -0.15 0.00 0.53 0.00 0.00 43.42 42.90 2wyh n LEU 863 CO 0.14 -0.89 -0.37 -0.55 -1.11 0.00 0.00 177.39 174.61 2wyh s SER 864 N 1.50 0.15 -0.32 1.96 0.15 -0.34 -4.97 113.70 111.83 2wyh s SER 864 Ca 0.90 -0.01 -0.07 0.00 0.70 0.00 0.00 55.95 57.47 2wyh s SER 864 Cb -1.02 -0.05 0.02 0.00 -1.71 0.00 0.00 66.02 63.26 2wyh s SER 864 CO 0.54 -0.03 0.10 -0.76 1.20 0.00 0.00 173.24 174.29 2wyh s LEU 865 N 0.35 4.13 0.33 3.45 1.02 -1.26 -0.11 118.68 126.59 2wyh s LEU 865 Ca -0.03 -0.93 -0.29 0.00 0.02 0.00 0.00 54.13 52.90 2wyh s LEU 865 Cb -0.05 -1.89 -0.12 0.00 0.02 0.00 0.00 46.19 44.16 2wyh s LEU 865 CO -0.01 -0.27 1.44 -2.65 0.02 0.00 0.00 176.35 174.89 2wyh n PRO 866 N 4.85 2.45 -1.00 1.29 -0.02 -1.25 -1.66 135.00 139.66 2wyh n PRO 866 Ca -0.13 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2wyh n PRO 866 Cb 0.46 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2wyh n PRO 866 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wyh n ASN 867 N 1.09 -0.80 -4.33 2.55 3.02 -1.26 -5.02 115.26 110.51 2wyh n ASN 867 Ca 0.05 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.38 2wyh n ASN 867 Cb 0.37 -0.14 -0.11 0.00 -0.61 0.00 0.00 39.78 39.28 2wyh n ASN 867 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2wyh s TYR 868 N -3.46 1.82 0.09 3.10 2.02 -0.67 -0.32 117.35 119.94 2wyh s TYR 868 Ca 0.00 -0.47 0.09 0.00 -0.37 0.00 0.00 57.07 56.33 2wyh s TYR 868 Cb 0.00 -0.91 -0.04 0.00 -0.40 0.00 0.00 41.96 40.61 2wyh s TYR 868 CO 0.00 0.33 -0.22 -0.80 -1.57 0.00 0.00 175.55 173.29 2wyh s ASN 869 N -2.63 3.59 0.04 2.29 0.01 0.02 -4.74 114.94 113.53 2wyh s ASN 869 Ca 0.15 -0.58 0.04 0.00 -0.71 0.00 0.00 52.86 51.76 2wyh s ASN 869 Cb -0.06 -0.43 -0.04 0.00 0.41 0.00 0.00 41.25 41.13 2wyh s ASN 869 CO 0.06 0.21 -0.04 0.00 -1.51 0.00 0.00 177.10 175.83 2wyh s ALA 870 N -1.01 3.13 0.11 0.60 0.00 -1.26 -1.18 121.76 122.15 2wyh s ALA 870 Ca 0.15 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 51.08 2wyh s ALA 870 Cb -0.10 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 2wyh s ALA 870 CO 0.06 0.65 -0.11 -1.59 0.00 0.00 0.00 175.76 174.77 2wyh s LYS 871 N -1.82 0.91 0.23 0.00 -2.85 -0.11 -4.89 119.74 111.22 2wyh s LYS 871 Ca 0.21 -1.19 -0.30 0.00 -1.00 0.00 0.00 55.97 53.69 2wyh s LYS 871 Cb -0.11 -0.67 -0.09 0.00 -2.06 0.00 0.00 37.83 34.90 2wyh s LYS 871 CO 0.12 0.11 1.09 0.08 0.10 0.00 0.00 175.35 176.85 2wyh s VAL 872 N -2.35 3.68 0.31 1.79 1.01 -1.26 -0.37 120.40 123.22 2wyh s VAL 872 Ca 0.07 1.58 0.05 0.00 0.00 0.00 0.00 61.98 63.68 2wyh s VAL 872 Cb -0.03 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 2wyh s VAL 872 CO 0.01 0.33 0.02 0.42 0.00 0.00 0.00 175.10 175.88 2wyh s THR 873 N -0.76 1.35 0.29 3.92 -4.23 -0.48 -0.68 115.64 115.05 2wyh s THR 873 Ca 0.46 -2.03 -0.04 0.00 -1.18 0.00 0.00 61.69 58.91 2wyh s THR 873 Cb -0.30 -2.69 0.06 0.00 1.34 0.00 0.00 72.50 70.91 2wyh s THR 873 CO 0.38 -0.10 0.40 -0.46 -0.54 0.00 0.00 174.62 174.30 2wyh n ASN 874 N -0.66 0.17 0.23 3.99 6.94 -0.38 -4.37 115.26 121.18 2wyh n ASN 874 Ca -0.03 -1.23 0.08 0.00 -0.02 0.00 0.00 54.58 53.38 2wyh n ASN 874 Cb 0.66 -0.29 0.57 0.00 -2.36 0.00 0.00 39.78 38.35 2wyh n ASN 874 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2wyh h LEU 875 N 0.00 0.00 -0.69 -4.53 3.38 -1.01 -1.33 115.31 111.12 2wyh h LEU 875 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2wyh h LEU 875 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2wyh h LEU 875 CO 0.11 0.20 0.00 0.18 0.09 0.00 0.00 178.44 179.01 2wyh n LEU 876 N -3.93 1.02 -0.66 1.67 4.77 -1.25 -4.90 117.00 113.72 2wyh n LEU 876 Ca -0.02 -0.49 -0.09 0.00 -0.03 0.00 0.00 56.01 55.39 2wyh n LEU 876 Cb 0.28 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 2wyh n LEU 876 CO 0.34 0.24 -0.08 -0.62 -1.33 0.00 0.00 177.39 175.94 2wyh n GLU 877 N 0.01 -0.60 -3.04 3.23 1.02 -0.50 -5.01 120.64 115.75 2wyh n GLU 877 Ca 0.09 0.80 -0.40 0.00 -0.02 0.00 0.00 57.16 57.63 2wyh n GLU 877 Cb 0.18 -4.66 -0.05 0.00 -0.02 0.00 0.00 31.44 26.88 2wyh n GLU 877 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2wyh s LYS 878 N -2.72 4.27 0.20 3.49 2.20 -1.26 -4.82 119.74 121.10 2wyh s LYS 878 Ca 0.00 0.76 -0.32 0.00 -0.36 0.00 0.00 55.97 56.05 2wyh s LYS 878 Cb 0.00 -3.56 -0.15 0.00 -1.51 0.00 0.00 37.83 32.62 2wyh s LYS 878 CO 0.00 -0.22 1.27 -0.25 -0.36 0.00 0.00 175.35 175.79 2wyh n ASP 879 N 4.93 1.95 -4.92 1.43 8.00 -1.26 -1.25 116.55 125.42 2wyh n ASP 879 Ca 0.00 1.14 -0.24 0.00 0.71 0.00 0.00 54.79 56.40 2wyh n ASP 879 Cb 0.50 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.29 2wyh n ASP 879 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2wyh s SER 880 N 0.13 4.78 0.00 -2.24 1.04 0.14 -4.82 113.70 112.73 2wyh s SER 880 Ca 0.71 -1.09 0.23 0.00 0.48 0.00 0.00 55.95 56.28 2wyh s SER 880 Cb -0.76 0.22 0.31 0.00 0.10 0.00 0.00 66.02 65.88 2wyh s SER 880 CO 0.51 -1.07 1.32 0.29 0.98 0.00 0.00 173.24 175.27 2wyh n LYS 881 N -1.81 2.37 -2.24 4.02 5.02 -1.26 -4.68 118.16 119.58 2wyh n LYS 881 Ca 0.02 -2.10 -0.40 0.00 -2.02 0.00 0.00 58.31 53.81 2wyh n LYS 881 Cb 0.63 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 34.14 2wyh n LYS 881 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2wyh s GLN 882 N -1.69 4.40 0.50 1.97 0.74 -1.26 -5.01 119.66 119.31 2wyh s GLN 882 Ca 0.33 2.05 -0.18 0.00 0.05 0.00 0.00 55.36 57.61 2wyh s GLN 882 Cb 0.21 -3.06 -0.08 0.00 1.10 0.00 0.00 33.01 31.18 2wyh s GLN 882 CO 0.30 -0.09 1.00 -1.54 -0.55 0.00 0.00 175.29 174.41 2wyh s SER 883 N -0.68 6.53 -0.00 6.67 1.04 -1.26 -4.17 113.70 121.83 2wyh s SER 883 Ca 0.49 1.69 -0.30 0.00 0.48 0.00 0.00 55.95 58.30 2wyh s SER 883 Cb -0.36 -2.53 -0.06 0.00 0.10 0.00 0.00 66.02 63.16 2wyh s SER 883 CO 0.48 -0.65 1.59 -0.89 0.98 0.00 0.00 173.24 174.75 2wyh s THR 884 N -2.41 3.43 0.65 2.02 2.01 -1.26 -4.90 115.64 115.18 2wyh s THR 884 Ca 0.61 0.73 -0.14 0.00 0.31 0.00 0.00 61.69 63.20 2wyh s THR 884 Cb -0.11 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 2wyh s THR 884 CO 0.26 -0.03 1.07 -2.16 -0.69 0.00 0.00 174.62 173.07 2wyh s PRO 885 N 3.18 3.04 0.00 4.92 0.04 -1.26 -4.95 135.00 139.97 2wyh s PRO 885 Ca 0.71 1.17 0.21 0.00 0.04 0.00 0.00 61.00 63.13 2wyh s PRO 885 Cb -0.35 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.15 2wyh s PRO 885 CO 0.30 -1.03 1.01 -1.13 0.04 0.00 0.00 177.00 176.19 2wyh n SER 886 N -2.51 1.79 -4.10 6.66 3.41 -1.26 -4.83 113.62 112.78 2wyh n SER 886 Ca 0.09 -1.40 -0.11 0.00 -0.26 0.00 0.00 58.87 57.19 2wyh n SER 886 Cb 0.53 0.57 -0.11 0.00 -0.26 0.00 0.00 64.21 64.94 2wyh n SER 886 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2wyh s GLN 887 N -2.47 0.63 -0.20 4.33 -0.21 -1.26 -0.44 119.66 120.04 2wyh s GLN 887 Ca 0.16 -1.00 -0.09 0.00 0.02 0.00 0.00 55.36 54.45 2wyh s GLN 887 Cb 0.17 -0.17 -0.05 0.00 1.00 0.00 0.00 33.01 33.96 2wyh s GLN 887 CO 0.59 -0.00 0.10 -0.51 -2.12 0.00 0.00 175.29 173.36 2wyh s LEU 888 N -2.24 4.03 0.97 2.90 1.43 0.59 -4.71 118.68 121.65 2wyh s LEU 888 Ca -0.01 0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 2wyh s LEU 888 Cb -0.03 -2.04 0.17 0.00 0.03 0.00 0.00 46.19 44.33 2wyh s LEU 888 CO -0.03 0.17 1.10 -0.83 0.23 0.00 0.00 176.35 176.99 2wyh s GLY 889 N 0.42 1.64 0.09 -3.19 0.00 -1.26 -2.28 107.32 102.74 2wyh s GLY 889 Ca 0.06 0.30 -0.36 0.00 0.00 0.00 0.00 44.72 44.72 2wyh s GLY 889 CO -0.01 0.80 1.34 0.28 0.00 0.00 0.00 173.10 175.51 2wyh n LYS 890 N -4.32 1.19 -1.72 2.90 5.02 -1.26 -1.75 118.16 118.23 2wyh n LYS 890 Ca 0.09 0.43 -0.14 0.00 -2.02 0.00 0.00 58.31 56.66 2wyh n LYS 890 Cb 0.53 -2.07 -0.04 0.00 -0.02 0.00 0.00 35.03 33.43 2wyh n LYS 890 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wyh n ALA 891 N 2.49 -0.37 -2.15 7.82 0.00 -0.53 -4.04 120.51 123.72 2wyh n ALA 891 Ca 0.18 0.19 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 2wyh n ALA 891 Cb 0.20 -1.52 -0.04 0.00 0.00 0.00 0.00 19.45 18.09 2wyh n ALA 891 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2wyh s GLU 892 N -3.75 4.53 -0.26 0.00 2.12 -0.71 -4.59 118.70 116.04 2wyh s GLU 892 Ca 0.00 1.76 -0.10 0.00 0.36 0.00 0.00 54.97 56.99 2wyh s GLU 892 Cb 0.00 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 2wyh s GLU 892 CO 0.00 -0.04 0.14 0.42 -0.54 0.00 0.00 175.26 175.25 2wyh s ILE 893 N 0.11 4.98 -0.17 -3.70 1.01 -1.26 -1.59 121.20 120.57 2wyh s ILE 893 Ca 0.52 0.05 0.01 0.00 0.00 0.00 0.00 60.65 61.24 2wyh s ILE 893 Cb -0.30 -3.35 0.02 0.00 0.01 0.00 0.00 42.46 38.84 2wyh s ILE 893 CO 0.34 0.29 -0.19 -0.22 0.00 0.00 0.00 174.94 175.17 2wyh s LEU 894 N 1.60 2.04 -0.15 2.97 2.96 0.81 -4.99 118.68 123.93 2wyh s LEU 894 Ca 0.07 -0.62 -0.02 0.00 -0.22 0.00 0.00 54.13 53.34 2wyh s LEU 894 Cb -0.15 -1.42 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 2wyh s LEU 894 CO 0.08 -0.01 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.13 2wyh s THR 895 N 1.33 3.47 0.03 3.68 2.01 -1.26 -1.36 115.64 123.55 2wyh s THR 895 Ca 0.05 -0.50 0.06 0.00 0.31 0.00 0.00 61.69 61.61 2wyh s THR 895 Cb -0.13 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.86 2wyh s THR 895 CO -0.13 0.50 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.37 2wyh s LEU 896 N 0.45 2.14 -0.19 4.42 1.43 -0.17 -1.39 118.68 125.38 2wyh s LEU 896 Ca -0.06 -0.46 -0.06 0.00 -1.03 0.00 0.00 54.13 52.52 2wyh s LEU 896 Cb -0.15 -0.83 -0.03 0.00 0.03 0.00 0.00 46.19 45.20 2wyh s LEU 896 CO 0.04 0.13 0.04 0.00 0.23 0.00 0.00 176.35 176.78 2wyh s ALA 897 N -0.73 3.25 -0.12 4.21 0.00 0.50 -0.98 121.76 127.90 2wyh s ALA 897 Ca 0.05 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 2wyh s ALA 897 Cb -0.08 -1.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 2wyh s ALA 897 CO 0.01 0.07 -0.09 -1.58 0.00 0.00 0.00 175.76 174.18 2wyh s TRP 898 N 0.58 2.90 0.02 0.00 0.52 0.11 -0.94 118.94 122.14 2wyh s TRP 898 Ca 0.02 -0.32 0.04 0.00 0.02 0.00 0.00 56.10 55.86 2wyh s TRP 898 Cb -0.13 -1.83 -0.02 0.00 -1.15 0.00 0.00 33.47 30.34 2wyh s TRP 898 CO 0.02 0.02 -0.12 0.15 0.02 0.00 0.00 176.95 177.03 2wyh s LYS 899 N -0.04 0.89 0.51 4.98 1.02 -0.32 -1.19 119.74 125.59 2wyh s LYS 899 Ca -0.01 -0.63 -0.22 0.00 0.02 0.00 0.00 55.97 55.13 2wyh s LYS 899 Cb -0.14 -0.87 -0.07 0.00 -0.52 0.00 0.00 37.83 36.24 2wyh s LYS 899 CO 0.03 0.22 1.26 1.63 -0.92 0.00 0.00 175.35 177.57 2wyh n LYS 900 N 2.19 1.64 0.00 1.68 5.02 -1.26 -0.80 118.16 126.63 2wyh n LYS 900 Ca -0.17 0.60 0.14 0.00 -2.02 0.00 0.00 58.31 56.86 2wyh n LYS 900 Cb 0.55 -2.44 0.54 0.00 -0.02 0.00 0.00 35.03 33.66 2wyh n LYS 900 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88