#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wnx s ALA 4 N 0.00 3.52 0.38 6.98 0.00 -1.26 -5.06 121.76 126.33 1wnx s ALA 4 Ca 0.00 -0.26 0.04 0.00 0.00 0.00 0.00 51.96 51.74 1wnx s ALA 4 Cb 0.00 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 1wnx s ALA 4 CO 0.00 -0.46 0.15 0.95 0.00 0.00 0.00 175.76 176.40 1wnx s THR 5 N 1.69 0.50 -1.37 0.00 -4.23 -1.26 -4.82 115.64 106.15 1wnx s THR 5 Ca 0.28 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.70 1wnx s THR 5 Cb -0.16 -2.41 0.01 0.00 1.34 0.00 0.00 72.50 71.28 1wnx s THR 5 CO 0.11 0.00 0.41 0.00 -0.54 0.00 0.00 174.62 174.60 1wnx n ALA 6 N -0.82 -2.19 -1.76 3.99 0.00 -1.26 -4.84 120.51 113.63 1wnx n ALA 6 Ca -0.03 -0.35 -0.41 0.00 0.00 0.00 0.00 53.44 52.64 1wnx n ALA 6 Cb 0.65 -1.89 -0.01 0.00 0.00 0.00 0.00 19.45 18.20 1wnx n ALA 6 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wnx n GLY 7 N -2.11 1.21 0.35 0.00 0.00 -1.26 -4.89 105.19 98.49 1wnx n GLY 7 Ca -0.25 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1wnx n GLY 7 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wnx h LEU 8 N 3.67 0.90 -0.57 0.99 5.85 -1.83 -2.58 115.31 121.74 1wnx h LEU 8 Ca -0.49 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.18 1wnx h LEU 8 Cb 1.24 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1wnx h LEU 8 CO 0.70 0.65 0.24 0.00 -0.34 0.00 0.00 178.44 179.70 1wnx h ALA 9 N 1.51 0.73 -0.14 1.25 0.00 -1.86 0.23 119.26 120.98 1wnx h ALA 9 Ca 0.29 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 1wnx h ALA 9 Cb -0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1wnx h ALA 9 CO -0.06 0.33 -0.57 0.28 0.00 0.00 0.00 179.25 179.22 1wnx h VAL 10 N 0.77 1.34 -0.45 0.00 2.07 -1.89 -1.94 116.25 116.16 1wnx h VAL 10 Ca 0.19 -1.87 -0.14 0.00 0.82 0.00 0.00 66.70 65.70 1wnx h VAL 10 Cb 0.17 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1wnx h VAL 10 CO -0.02 0.57 -0.27 -0.08 0.02 0.00 0.00 177.57 177.79 1wnx h GLU 11 N 0.33 0.97 -0.35 1.57 4.81 -1.04 -0.34 114.58 120.54 1wnx h GLU 11 Ca 0.00 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1wnx h GLU 11 Cb 1.10 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1wnx h GLU 11 CO 0.10 1.12 0.22 -0.07 -0.73 0.00 0.00 179.01 179.65 1wnx h LEU 12 N 0.82 0.41 -0.17 1.64 3.38 -0.45 -0.10 115.31 120.84 1wnx h LEU 12 Ca 0.09 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1wnx h LEU 12 Cb 0.86 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1wnx h LEU 12 CO 0.08 0.32 0.09 0.50 0.09 0.00 0.00 178.44 179.52 1wnx h LYS 13 N 0.47 0.18 -0.49 1.13 3.64 -1.05 -2.43 116.57 118.03 1wnx h LYS 13 Ca 0.13 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 1wnx h LYS 13 Cb -0.03 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1wnx h LYS 13 CO -0.03 0.12 -0.18 1.96 -2.27 0.00 0.00 179.45 179.06 1wnx h GLN 14 N 0.19 0.97 0.00 1.90 4.20 -0.94 -2.10 115.11 119.32 1wnx h GLN 14 Ca 0.07 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 1wnx h GLN 14 Cb 0.00 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 1wnx h GLN 14 CO -0.04 1.06 -0.05 0.66 -0.67 0.00 0.00 178.83 179.79 1wnx h SER 15 N 0.84 0.00 -0.43 1.46 4.64 -0.88 -3.05 113.55 116.14 1wnx h SER 15 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1wnx h SER 15 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1wnx h SER 15 CO 0.06 0.05 0.00 0.35 -0.87 0.00 0.00 176.83 176.42 1wnx n THR 16 N -3.13 0.94 -0.15 2.95 -2.24 -0.93 -4.75 114.28 106.98 1wnx n THR 16 Ca 0.02 -0.97 -0.04 0.00 -2.27 0.00 0.00 64.05 60.79 1wnx n THR 16 Cb 0.45 0.54 0.05 0.00 -2.10 0.00 0.00 70.33 69.28 1wnx n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wnx h ALA 17 N 2.63 0.59 -0.12 6.98 0.00 -1.26 -0.25 119.26 127.82 1wnx h ALA 17 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1wnx h ALA 17 Cb 0.79 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1wnx h ALA 17 CO 0.00 -0.19 0.07 0.37 0.00 0.00 0.00 179.25 179.50 1wnx h GLN 18 N 0.38 0.17 -0.98 0.00 4.15 -1.85 -1.47 115.11 115.51 1wnx h GLN 18 Ca 0.22 -0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.74 1wnx h GLN 18 Cb 0.20 -0.03 -0.08 0.00 0.21 0.00 0.00 27.48 27.78 1wnx h GLN 18 CO -0.21 0.19 0.62 0.00 -1.93 0.00 0.00 178.83 177.50 1wnx h ALA 19 N 0.97 1.57 0.16 3.38 0.00 -1.82 -1.67 119.26 121.85 1wnx h ALA 19 Ca 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1wnx h ALA 19 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1wnx h ALA 19 CO -0.01 0.19 -0.08 1.25 0.00 0.00 0.00 179.25 180.60 1wnx h HIS 20 N 0.95 -0.20 -0.78 0.00 -0.00 -0.70 -1.61 115.15 112.81 1wnx h HIS 20 Ca 0.48 -0.00 0.16 0.00 -0.00 0.00 0.00 60.37 61.01 1wnx h HIS 20 Cb 0.51 0.06 -0.15 0.00 -0.00 0.00 0.00 27.41 27.84 1wnx h HIS 20 CO -0.00 0.11 -0.19 0.93 -0.00 0.00 0.00 177.93 178.78 1wnx h GLU 21 N -0.51 0.00 -0.55 5.26 4.39 -1.19 0.16 114.58 122.14 1wnx h GLU 21 Ca -0.02 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 1wnx h GLU 21 Cb 0.39 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1wnx h GLU 21 CO 0.04 0.00 0.04 -0.22 -1.16 0.00 0.00 179.01 177.71 1wnx h LYS 22 N 0.00 0.91 -0.05 2.33 3.64 -1.06 -2.08 116.57 120.26 1wnx h LYS 22 Ca 0.38 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1wnx h LYS 22 Cb 0.58 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1wnx h LYS 22 CO -0.80 0.87 0.02 0.00 -2.27 0.00 0.00 179.45 177.27 1wnx h ALA 23 N 1.20 0.06 -0.23 5.00 0.00 -0.43 -2.11 119.26 122.75 1wnx h ALA 23 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1wnx h ALA 23 Cb 0.44 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1wnx h ALA 23 CO 0.02 -0.46 0.01 1.49 0.00 0.00 0.00 179.25 180.31 1wnx h GLU 24 N 0.05 0.33 -0.38 0.00 4.81 -0.37 -2.56 114.58 116.46 1wnx h GLU 24 Ca 0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1wnx h GLU 24 Cb 0.01 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1wnx h GLU 24 CO -0.02 0.35 0.00 0.72 -0.73 0.00 0.00 179.01 179.33 1wnx n HIS 25 N -4.36 1.06 -1.69 0.92 8.25 -0.81 -4.57 115.22 114.01 1wnx n HIS 25 Ca 0.00 -0.73 -0.37 0.00 -0.26 0.00 0.00 57.72 56.36 1wnx n HIS 25 Cb 0.19 -0.26 0.06 0.00 1.12 0.00 0.00 29.99 31.10 1wnx n HIS 25 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1wnx n SER 26 N 0.13 1.68 -0.32 0.41 3.41 -0.80 -4.75 113.62 113.38 1wnx n SER 26 Ca 0.21 0.82 -0.04 0.00 -0.26 0.00 0.00 58.87 59.60 1wnx n SER 26 Cb 0.82 -1.51 0.09 0.00 -0.26 0.00 0.00 64.21 63.35 1wnx n SER 26 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1wnx h THR 27 N 0.52 1.26 -0.24 6.66 2.02 -1.91 0.23 112.91 121.45 1wnx h THR 27 Ca -0.50 -0.68 -0.06 0.00 0.77 0.00 0.00 66.41 65.94 1wnx h THR 27 Cb 1.35 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1wnx h THR 27 CO 0.52 0.30 -0.08 0.15 0.37 0.00 0.00 175.52 176.78 1wnx h PHE 28 N 1.24 0.55 -0.12 3.16 3.57 -1.91 -0.88 116.94 122.55 1wnx h PHE 28 Ca 0.31 -0.13 -0.17 0.00 3.53 0.00 0.00 57.97 61.51 1wnx h PHE 28 Cb 0.06 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1wnx h PHE 28 CO 0.01 0.73 -0.65 0.52 -2.23 0.00 0.00 178.31 176.69 1wnx h MET 29 N 0.21 0.45 -0.27 1.11 2.86 -1.79 -1.09 114.93 116.40 1wnx h MET 29 Ca 0.06 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1wnx h MET 29 Cb 0.57 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1wnx h MET 29 CO 0.03 0.95 0.16 1.03 1.06 0.00 0.00 176.91 180.14 1wnx h SER 30 N 0.33 0.33 -0.32 1.22 0.87 -0.48 -0.36 113.55 115.13 1wnx h SER 30 Ca -0.02 -0.07 -0.11 0.00 -1.23 0.00 0.00 61.79 60.37 1wnx h SER 30 Cb 1.21 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 1wnx h SER 30 CO 0.12 0.30 -0.20 0.44 -0.53 0.00 0.00 176.83 176.95 1wnx h ASP 31 N 0.33 0.81 0.20 6.23 3.32 -0.97 -2.12 116.42 124.22 1wnx h ASP 31 Ca 0.10 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1wnx h ASP 31 Cb 0.04 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.36 1wnx h ASP 31 CO -0.02 1.00 -0.09 0.25 -1.72 0.00 0.00 179.24 178.66 1wnx h LEU 32 N 0.70 -0.22 -1.62 1.55 5.85 -0.99 -0.15 115.31 120.43 1wnx h LEU 32 Ca 0.10 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 1wnx h LEU 32 Cb 0.72 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1wnx h LEU 32 CO 0.06 0.09 -0.20 -0.07 -0.34 0.00 0.00 178.44 177.98 1wnx h LEU 33 N -0.55 0.00 -0.56 2.25 3.38 -1.03 -2.69 115.31 116.11 1wnx h LEU 33 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1wnx h LEU 33 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1wnx h LEU 33 CO 0.04 0.20 -0.06 0.29 0.09 0.00 0.00 178.44 179.00 1wnx n LYS 34 N -3.73 1.21 -0.88 1.13 5.02 -0.80 -4.95 118.16 115.16 1wnx n LYS 34 Ca -0.02 -0.56 0.00 0.00 -2.02 0.00 0.00 58.31 55.72 1wnx n LYS 34 Cb 0.31 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1wnx n LYS 34 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wnx n GLY 35 N 1.19 0.46 0.03 0.72 0.00 -1.01 -4.96 105.19 101.62 1wnx n GLY 35 Ca 0.18 -0.87 0.14 0.00 0.00 0.00 0.00 46.02 45.47 1wnx n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wnx n ARG 36 N -2.88 0.35 0.00 1.61 1.74 -0.09 -4.84 116.66 112.55 1wnx n ARG 36 Ca 0.00 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 1wnx n ARG 36 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 1wnx n ARG 36 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wnx n LEU 37 N -1.26 0.00 -3.82 0.55 4.77 -1.24 -4.99 117.00 111.01 1wnx n LEU 37 Ca 0.12 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.10 1wnx n LEU 37 Cb 0.29 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.38 1wnx n LEU 37 CO 0.25 0.00 1.00 -0.83 -1.33 0.00 0.00 177.39 176.49 1wnx s GLY 38 N 0.00 -0.19 0.24 -0.72 0.00 -1.26 -5.02 107.32 100.37 1wnx s GLY 38 Ca 0.00 0.20 -0.06 0.00 0.00 0.00 0.00 44.72 44.86 1wnx s GLY 38 CO 0.00 2.70 1.67 -2.08 0.00 0.00 0.00 173.10 175.38 1wnx h VAL 39 N 2.00 0.46 -0.45 1.40 2.07 -1.96 -1.67 116.25 118.10 1wnx h VAL 39 Ca -0.26 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.25 1wnx h VAL 39 Cb 1.20 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1wnx h VAL 39 CO 0.31 0.04 0.16 0.00 0.02 0.00 0.00 177.57 178.10 1wnx h ALA 40 N 1.63 0.54 -0.29 1.67 0.00 -1.99 -0.23 119.26 120.61 1wnx h ALA 40 Ca 0.40 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.25 1wnx h ALA 40 Cb 0.70 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1wnx h ALA 40 CO -0.56 -0.22 -0.31 0.93 0.00 0.00 0.00 179.25 179.08 1wnx h GLU 41 N 0.34 0.61 -0.78 0.00 3.07 -1.73 -0.74 114.58 115.34 1wnx h GLU 41 Ca 0.21 -0.27 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1wnx h GLU 41 Cb 0.20 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.06 1wnx h GLU 41 CO -0.21 0.85 0.49 0.35 -1.40 0.00 0.00 179.01 179.09 1wnx h PHE 42 N 0.52 1.01 -0.37 4.33 3.57 -0.92 -1.83 116.94 123.25 1wnx h PHE 42 Ca 0.06 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.47 1wnx h PHE 42 Cb 0.80 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1wnx h PHE 42 CO 0.03 0.66 -0.17 1.15 -2.23 0.00 0.00 178.31 177.75 1wnx h THR 43 N 1.07 1.26 -0.59 4.41 2.02 -0.56 -1.59 112.91 118.94 1wnx h THR 43 Ca 0.28 -1.22 -0.08 0.00 0.77 0.00 0.00 66.41 66.16 1wnx h THR 43 Cb -0.08 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1wnx h THR 43 CO -0.06 0.41 0.05 0.03 0.37 0.00 0.00 175.52 176.33 1wnx h ARG 44 N 0.62 1.00 -0.52 6.66 2.47 -0.79 -1.14 114.38 122.67 1wnx h ARG 44 Ca 0.10 -0.29 0.07 0.00 -1.26 0.00 0.00 59.98 58.59 1wnx h ARG 44 Cb 0.64 -0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 28.80 1wnx h ARG 44 CO 0.04 0.96 0.21 1.25 0.56 0.00 0.00 179.97 183.00 1wnx h LEU 45 N 0.90 0.25 -0.99 3.04 5.85 -1.11 -1.78 115.31 121.47 1wnx h LEU 45 Ca 0.17 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 1wnx h LEU 45 Cb 0.48 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1wnx h LEU 45 CO 0.02 0.17 -0.27 1.56 -0.34 0.00 0.00 178.44 179.58 1wnx h GLN 46 N 0.41 0.41 -0.42 1.25 1.08 -0.94 -0.74 115.11 116.17 1wnx h GLN 46 Ca 0.25 -0.16 -0.03 0.00 -1.45 0.00 0.00 58.65 57.27 1wnx h GLN 46 Cb 0.24 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 1wnx h GLN 46 CO -0.23 0.65 0.16 0.93 -0.95 0.00 0.00 178.83 179.39 1wnx h GLU 47 N 0.37 0.64 -0.14 1.46 5.08 -0.87 0.77 114.58 121.88 1wnx h GLU 47 Ca 0.05 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1wnx h GLU 47 Cb 0.66 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1wnx h GLU 47 CO 0.05 0.60 0.03 1.96 -1.00 0.00 0.00 179.01 180.65 1wnx h GLN 48 N 0.54 0.23 -0.84 2.33 1.08 -1.06 -2.74 115.11 114.65 1wnx h GLN 48 Ca 0.14 -0.06 0.16 0.00 -1.45 0.00 0.00 58.65 57.44 1wnx h GLN 48 Cb 0.21 -0.03 -0.10 0.00 -0.05 0.00 0.00 27.48 27.51 1wnx h GLN 48 CO -0.01 0.39 0.41 0.00 -0.95 0.00 0.00 178.83 178.67 1wnx h ALA 49 N 0.83 1.27 -0.87 3.87 0.00 -1.03 -1.75 119.26 121.57 1wnx h ALA 49 Ca 0.04 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1wnx h ALA 49 Cb 0.27 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1wnx h ALA 49 CO 0.00 -0.15 0.57 2.35 0.00 0.00 0.00 179.25 182.02 1wnx h TRP 50 N 0.56 1.07 -0.15 0.00 7.01 -0.66 0.20 115.95 123.97 1wnx h TRP 50 Ca 0.47 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.47 1wnx h TRP 50 Cb 0.72 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 27.41 1wnx h TRP 50 CO -0.11 0.64 -0.00 -0.07 -2.79 0.00 0.00 178.44 176.10 1wnx h LEU 51 N 1.12 0.27 -0.26 0.65 3.38 -1.07 -1.61 115.31 117.78 1wnx h LEU 51 Ca 0.34 -0.32 -0.20 0.00 0.09 0.00 0.00 57.88 57.79 1wnx h LEU 51 Cb -0.03 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1wnx h LEU 51 CO -0.09 0.52 -0.89 2.19 0.09 0.00 0.00 178.44 180.26 1wnx h PHE 52 N 0.01 0.28 -0.78 1.13 -5.15 -1.02 -2.77 116.94 108.64 1wnx h PHE 52 Ca 0.04 -0.16 -0.03 0.00 -0.20 0.00 0.00 57.97 57.62 1wnx h PHE 52 Cb 0.38 -0.03 -0.04 0.00 0.22 0.00 0.00 35.95 36.49 1wnx h PHE 52 CO 0.04 0.98 0.37 1.88 -2.00 0.00 0.00 178.31 179.57 1wnx h TYR 53 N 0.10 1.14 -0.08 6.09 0.05 -0.65 0.34 116.97 123.96 1wnx h TYR 53 Ca -0.04 -0.06 0.03 0.00 0.05 0.00 0.00 58.73 58.70 1wnx h TYR 53 Cb 1.52 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 38.88 1wnx h TYR 53 CO 0.03 0.84 -0.09 1.15 -1.05 0.00 0.00 178.16 179.03 1wnx h THR 54 N 1.11 0.74 -0.31 -2.88 2.02 -1.26 0.90 112.91 113.22 1wnx h THR 54 Ca 0.27 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.43 1wnx h THR 54 Cb 0.14 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1wnx h THR 54 CO -0.03 0.00 0.13 0.00 0.37 0.00 0.00 175.52 175.99 1wnx h ALA 55 N 0.93 0.41 -0.60 6.16 0.00 -1.33 -2.36 119.26 122.46 1wnx h ALA 55 Ca 0.06 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.97 1wnx h ALA 55 Cb 0.22 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 1wnx h ALA 55 CO -0.16 -0.00 0.11 1.25 0.00 0.00 0.00 179.25 180.45 1wnx h LEU 56 N 0.36 -0.03 -0.57 0.00 5.85 -0.68 -1.79 115.31 118.44 1wnx h LEU 56 Ca 0.11 0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.83 1wnx h LEU 56 Cb 0.17 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1wnx h LEU 56 CO -0.01 -0.01 -0.53 -0.33 -0.34 0.00 0.00 178.44 177.22 1wnx h GLU 57 N 0.24 0.00 -0.86 1.25 5.08 -0.51 0.41 114.58 120.18 1wnx h GLU 57 Ca 0.31 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1wnx h GLU 57 Cb 0.47 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1wnx h GLU 57 CO -0.42 0.53 0.49 1.96 -1.00 0.00 0.00 179.01 180.57 1wnx h GLN 58 N 0.00 1.20 -0.25 2.33 4.20 -1.12 0.29 115.11 121.75 1wnx h GLN 58 Ca -0.01 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.50 1wnx h GLN 58 Cb 1.16 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 1wnx h GLN 58 CO 0.07 0.87 -0.12 0.00 -0.67 0.00 0.00 178.83 178.98 1wnx h ALA 59 N 1.26 0.35 -0.51 3.87 0.00 -0.45 -2.01 119.26 121.78 1wnx h ALA 59 Ca 0.31 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1wnx h ALA 59 Cb 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1wnx h ALA 59 CO -0.05 0.22 0.31 0.28 0.00 0.00 0.00 179.25 180.01 1wnx h VAL 60 N 0.25 1.07 -0.52 0.00 2.07 -0.78 -1.68 116.25 116.66 1wnx h VAL 60 Ca 0.06 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1wnx h VAL 60 Cb 0.63 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1wnx h VAL 60 CO 0.04 0.11 0.33 0.44 0.02 0.00 0.00 177.57 178.51 1wnx h ASP 61 N 0.63 0.60 -0.33 0.57 3.32 -0.82 0.25 116.42 120.64 1wnx h ASP 61 Ca 0.20 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.24 1wnx h ASP 61 Cb 0.00 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1wnx h ASP 61 CO -0.08 0.46 0.17 0.00 -1.72 0.00 0.00 179.24 178.07 1wnx h ALA 62 N 1.17 0.41 -0.34 3.45 0.00 -1.07 -1.44 119.26 121.45 1wnx h ALA 62 Ca 0.19 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1wnx h ALA 62 Cb -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1wnx h ALA 62 CO -0.04 -0.20 -0.25 0.28 0.00 0.00 0.00 179.25 179.04 1wnx h VAL 63 N 0.35 1.29 -0.50 0.00 2.07 -0.92 -0.71 116.25 117.84 1wnx h VAL 63 Ca 0.14 -1.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 1wnx h VAL 63 Cb 0.04 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1wnx h VAL 63 CO -0.09 0.46 0.20 -0.09 0.02 0.00 0.00 177.57 178.07 1wnx h ARG 64 N 0.53 0.74 -0.33 1.57 2.43 -0.92 -2.12 114.38 116.28 1wnx h ARG 64 Ca 0.06 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1wnx h ARG 64 Cb 0.81 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 1wnx h ARG 64 CO 0.07 0.66 0.17 0.00 -1.51 0.00 0.00 179.97 179.35 1wnx h ALA 65 N 1.05 1.67 0.00 2.80 0.00 -0.95 -0.90 119.26 122.93 1wnx h ALA 65 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wnx h ALA 65 Cb 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1wnx h ALA 65 CO -0.01 0.27 0.00 0.66 0.00 0.00 0.00 179.25 180.17 1wnx h SER 66 N 0.46 0.00 0.00 0.00 4.64 -0.45 -3.46 113.55 114.74 1wnx h SER 66 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1wnx h SER 66 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1wnx h SER 66 CO -0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.55 1wnx n GLY 67 N -0.41 0.79 3.73 -0.77 0.00 -0.34 -5.08 105.19 103.11 1wnx n GLY 67 Ca 0.01 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 1wnx n GLY 67 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wnx s PHE 68 N -2.00 3.34 -1.68 1.61 5.36 -1.07 -4.62 117.98 118.92 1wnx s PHE 68 Ca 0.00 0.26 -0.18 0.00 -0.96 0.00 0.00 56.93 56.05 1wnx s PHE 68 Cb 0.00 -1.95 0.15 0.00 -0.34 0.00 0.00 43.02 40.88 1wnx s PHE 68 CO 0.00 0.43 0.80 0.00 -1.46 0.00 0.00 175.22 175.00 1wnx n ALA 69 N 2.65 -1.24 -0.30 11.12 0.00 -1.26 -4.26 120.51 127.22 1wnx n ALA 69 Ca -0.18 0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.32 1wnx n ALA 69 Cb 0.53 -3.60 0.19 0.00 0.00 0.00 0.00 19.45 16.57 1wnx n ALA 69 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1wnx h GLU 70 N -1.53 0.75 0.00 0.00 5.08 -1.89 -2.10 114.58 114.88 1wnx h GLU 70 Ca -0.58 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 57.60 1wnx h GLU 70 Cb 1.38 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1wnx h GLU 70 CO 0.77 0.50 -0.64 0.66 -1.00 0.00 0.00 179.01 179.30 1wnx h SER 71 N 0.77 0.00 -0.24 1.42 4.64 -1.98 -2.78 113.55 115.38 1wnx h SER 71 Ca 0.42 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.61 1wnx h SER 71 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1wnx h SER 71 CO -0.28 0.64 -0.32 0.25 -0.87 0.00 0.00 176.83 176.25 1wnx h LEU 72 N 0.00 0.78 -5.72 5.97 5.85 -1.78 -3.36 115.31 117.05 1wnx h LEU 72 Ca -0.01 -0.32 -0.74 0.00 0.84 0.00 0.00 57.88 57.66 1wnx h LEU 72 Cb 1.18 -0.22 -0.11 0.00 0.37 0.00 0.00 40.66 41.89 1wnx h LEU 72 CO 0.08 1.04 2.53 0.18 -0.34 0.00 0.00 178.44 181.94 1wnx n LEU 73 N -4.07 7.87 -4.66 2.25 4.77 -0.91 -4.94 117.00 117.30 1wnx n LEU 73 Ca -0.01 -4.77 -0.43 0.00 -0.03 0.00 0.00 56.01 50.77 1wnx n LEU 73 Cb 0.49 -1.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.14 1wnx n LEU 73 CO 0.46 1.92 1.22 -0.62 -1.33 0.00 0.00 177.39 179.04 1wnx s ASP 74 N 0.72 6.81 0.60 -1.43 -1.08 -1.26 -4.90 116.67 116.14 1wnx s ASP 74 Ca 0.53 1.97 0.37 0.00 -0.52 0.00 0.00 52.55 54.91 1wnx s ASP 74 Cb 0.17 -2.54 1.90 0.00 -1.46 0.00 0.00 42.92 40.99 1wnx s ASP 74 CO -0.07 -0.84 2.20 1.55 0.52 0.00 0.00 175.17 178.53 1wnx h PRO 75 N 8.81 0.00 0.00 4.34 0.13 -1.93 -2.08 132.00 141.27 1wnx h PRO 75 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1wnx h PRO 75 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1wnx h PRO 75 CO 0.96 0.03 0.06 0.00 -0.23 0.00 0.00 178.00 178.81 1wnx h ALA 76 N 1.97 1.05 0.00 -0.56 0.00 -1.90 0.38 119.26 120.21 1wnx h ALA 76 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wnx h ALA 76 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1wnx h ALA 76 CO 0.00 -0.05 0.00 -0.07 0.00 0.00 0.00 179.25 179.13 1wnx h LEU 77 N 0.00 0.00 -9.34 0.00 3.38 -1.76 -3.43 115.31 104.16 1wnx h LEU 77 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 1wnx h LEU 77 Cb 0.11 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.95 1wnx h LEU 77 CO 0.00 0.00 0.22 0.59 0.09 0.00 0.00 178.44 179.34 1wnx n ASN 78 N -2.53 1.25 -0.00 -0.43 5.03 0.12 -4.91 115.26 113.79 1wnx n ASN 78 Ca 0.04 1.15 0.00 0.00 0.87 0.00 0.00 54.58 56.64 1wnx n ASN 78 Cb 0.40 -1.22 -0.00 0.00 -1.02 0.00 0.00 39.78 37.94 1wnx n ASN 78 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1wnx n ARG 79 N 1.58 1.86 -0.14 3.52 5.12 -1.26 -4.78 116.66 122.57 1wnx n ARG 79 Ca 0.14 -0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.97 1wnx n ARG 79 Cb 0.26 -0.88 -0.00 0.00 -1.16 0.00 0.00 32.46 30.67 1wnx n ARG 79 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wnx h ALA 80 N 0.06 0.54 -0.66 7.54 0.00 -1.91 0.00 119.26 124.84 1wnx h ALA 80 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1wnx h ALA 80 Cb 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1wnx h ALA 80 CO 0.00 0.12 0.08 0.93 0.00 0.00 0.00 179.25 180.38 1wnx h GLU 81 N 0.53 1.11 -0.35 0.00 4.39 -1.99 -1.78 114.58 116.48 1wnx h GLU 81 Ca 0.14 -0.31 -0.05 0.00 0.34 0.00 0.00 59.36 59.48 1wnx h GLU 81 Cb 0.16 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1wnx h GLU 81 CO -0.01 1.03 0.03 0.28 -1.16 0.00 0.00 179.01 179.18 1wnx h VAL 82 N 1.03 1.25 -0.43 3.13 2.07 -1.82 -2.22 116.25 119.25 1wnx h VAL 82 Ca 0.20 -0.90 0.06 0.00 0.82 0.00 0.00 66.70 66.87 1wnx h VAL 82 Cb 0.48 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1wnx h VAL 82 CO 0.02 0.30 0.14 -0.07 0.02 0.00 0.00 177.57 177.98 1wnx h LEU 83 N 0.43 0.13 -0.82 2.57 3.38 -0.88 -0.56 115.31 119.55 1wnx h LEU 83 Ca 0.10 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.20 1wnx h LEU 83 Cb 0.40 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 1wnx h LEU 83 CO 0.01 0.10 0.50 0.00 0.09 0.00 0.00 178.44 179.14 1wnx h ALA 84 N 1.29 1.14 -0.31 1.53 0.00 -1.05 0.19 119.26 122.05 1wnx h ALA 84 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1wnx h ALA 84 Cb 0.21 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1wnx h ALA 84 CO -0.22 0.21 -0.22 0.00 0.00 0.00 0.00 179.25 179.01 1wnx h ARG 85 N 0.90 0.59 -0.22 0.00 3.08 -0.94 0.12 114.38 117.91 1wnx h ARG 85 Ca 0.37 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1wnx h ARG 85 Cb 0.21 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1wnx h ARG 85 CO -0.19 0.77 0.10 -0.44 -1.07 0.00 0.00 179.97 179.14 1wnx h ASP 86 N 0.52 0.30 -0.30 7.04 3.45 -0.56 -2.56 116.42 124.31 1wnx h ASP 86 Ca 0.08 -0.15 -0.06 0.00 0.43 0.00 0.00 57.03 57.33 1wnx h ASP 86 Cb 0.67 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 39.34 1wnx h ASP 86 CO 0.05 0.37 -0.01 -0.07 -1.57 0.00 0.00 179.24 178.01 1wnx h LEU 87 N 0.22 0.62 -0.72 1.55 3.38 -0.14 -0.57 115.31 119.65 1wnx h LEU 87 Ca 0.08 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1wnx h LEU 87 Cb 0.15 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1wnx h LEU 87 CO -0.01 0.70 0.44 0.44 0.09 0.00 0.00 178.44 180.11 1wnx h ASP 88 N 0.62 0.71 -0.08 -0.43 3.32 -0.57 0.46 116.42 120.45 1wnx h ASP 88 Ca 0.12 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.03 1wnx h ASP 88 Cb 0.41 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.82 1wnx h ASP 88 CO 0.02 0.48 -0.55 0.11 -1.72 0.00 0.00 179.24 177.58 1wnx h LYS 89 N 0.85 0.52 -0.20 3.56 1.57 -0.96 0.12 116.57 122.03 1wnx h LYS 89 Ca 0.30 -0.45 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1wnx h LYS 89 Cb 0.06 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1wnx h LYS 89 CO -0.13 1.08 0.08 -0.07 -0.57 0.00 0.00 179.45 179.84 1wnx h LEU 90 N 0.11 0.28 -0.09 2.94 3.38 -0.99 -3.06 115.31 117.87 1wnx h LEU 90 Ca -0.04 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1wnx h LEU 90 Cb 1.20 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1wnx h LEU 90 CO 0.11 0.37 -0.44 0.78 0.09 0.00 0.00 178.44 179.35 1wnx h ASN 91 N 0.18 0.00 0.00 -0.43 2.35 -0.98 -3.48 115.58 113.22 1wnx h ASN 91 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1wnx h ASN 91 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1wnx h ASN 91 CO -0.01 0.44 0.00 0.61 -1.65 0.00 0.00 177.43 176.82 1wnx n GLY 92 N 1.12 0.82 3.63 2.83 0.00 0.38 -5.00 105.19 108.96 1wnx n GLY 92 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1wnx n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wnx s SER 93 N -2.90 0.46 0.00 1.61 1.04 -1.07 -4.97 113.70 107.88 1wnx s SER 93 Ca 0.00 -1.29 0.23 0.00 0.48 0.00 0.00 55.95 55.38 1wnx s SER 93 Cb 0.00 0.73 0.46 0.00 0.10 0.00 0.00 66.02 67.30 1wnx s SER 93 CO 0.00 -1.43 1.42 -1.54 0.98 0.00 0.00 173.24 172.67 1wnx n SER 94 N -1.29 3.16 -1.25 7.02 3.41 -1.26 -4.41 113.62 119.00 1wnx n SER 94 Ca -0.03 -1.95 0.11 0.00 -0.26 0.00 0.00 58.87 56.74 1wnx n SER 94 Cb 0.61 -0.21 0.30 0.00 -0.26 0.00 0.00 64.21 64.65 1wnx n SER 94 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wnx n GLU 95 N 1.31 2.57 0.30 4.33 -0.58 -1.26 -3.90 120.64 123.41 1wnx n GLU 95 Ca 0.18 -2.44 0.18 0.00 -0.42 0.00 0.00 57.16 54.66 1wnx n GLU 95 Cb 0.57 -1.53 0.95 0.00 -0.57 0.00 0.00 31.44 30.86 1wnx n GLU 95 CO 0.00 0.00 0.00 0.11 -0.48 0.00 0.00 177.13 176.76 1wnx h TRP 96 N 4.03 0.00 -0.49 -0.32 5.08 -1.96 -3.24 115.95 119.05 1wnx h TRP 96 Ca 0.00 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.91 1wnx h TRP 96 Cb 0.92 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.06 1wnx h TRP 96 CO 0.44 0.03 0.08 0.00 -1.28 0.00 0.00 178.44 177.71 1wnx h ARG 97 N 0.00 0.77 -0.02 0.12 3.08 -1.95 -2.37 114.38 114.02 1wnx h ARG 97 Ca -0.00 -0.17 -0.21 0.00 0.07 0.00 0.00 59.98 59.67 1wnx h ARG 97 Cb 0.16 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1wnx h ARG 97 CO 0.00 0.73 -0.89 0.66 -1.07 0.00 0.00 179.97 179.41 1wnx h SER 98 N 0.74 0.48 -0.14 7.04 4.64 -1.88 -3.34 113.55 121.09 1wnx h SER 98 Ca 0.16 -0.37 -0.23 0.00 -0.47 0.00 0.00 61.79 60.88 1wnx h SER 98 Cb 0.34 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1wnx h SER 98 CO 0.01 1.16 -0.79 -0.09 -0.87 0.00 0.00 176.83 176.25 1wnx h ARG 99 N 0.22 0.79 -6.90 4.77 2.43 -1.59 -3.47 114.38 110.63 1wnx h ARG 99 Ca -0.06 -0.66 -0.53 0.00 -0.81 0.00 0.00 59.98 57.92 1wnx h ARG 99 Cb 1.51 0.14 0.08 0.00 -0.42 0.00 0.00 29.97 31.28 1wnx h ARG 99 CO 0.15 1.26 0.71 0.96 -1.51 0.00 0.00 179.97 181.54 1wnx s ILE 100 N -3.74 2.40 -0.19 1.20 -4.36 -0.93 -4.99 121.20 110.60 1wnx s ILE 100 Ca -0.10 0.40 -0.02 0.00 -0.26 0.00 0.00 60.65 60.67 1wnx s ILE 100 Cb 0.09 -3.25 -0.00 0.00 1.25 0.00 0.00 42.46 40.54 1wnx s ILE 100 CO 0.91 0.09 -0.10 -0.89 0.24 0.00 0.00 174.94 175.19 1wnx s THR 101 N -1.06 3.02 0.16 8.37 2.01 -1.26 -5.06 115.64 121.81 1wnx s THR 101 Ca 0.51 -0.63 -0.32 0.00 0.31 0.00 0.00 61.69 61.57 1wnx s THR 101 Cb -0.43 -2.33 -0.10 0.00 0.01 0.00 0.00 72.50 69.65 1wnx s THR 101 CO 0.57 0.48 1.59 0.00 -0.69 0.00 0.00 174.62 176.56 1wnx s ALA 102 N 1.12 3.79 0.92 7.40 0.00 -1.26 -4.99 121.76 128.74 1wnx s ALA 102 Ca 0.01 1.38 -0.12 0.00 0.00 0.00 0.00 51.96 53.23 1wnx s ALA 102 Cb -0.14 -3.63 0.14 0.00 0.00 0.00 0.00 23.12 19.49 1wnx s ALA 102 CO -0.03 -0.81 1.10 -1.54 0.00 0.00 0.00 175.76 174.48 1wnx s SER 103 N 1.23 3.29 0.25 0.00 1.04 -1.26 -4.69 113.70 113.55 1wnx s SER 103 Ca 0.71 1.30 -0.04 0.00 0.48 0.00 0.00 55.95 58.40 1wnx s SER 103 Cb -0.44 -1.97 0.39 0.00 0.10 0.00 0.00 66.02 64.10 1wnx s SER 103 CO 0.31 -2.73 1.82 -0.65 0.98 0.00 0.00 173.24 172.98 1wnx h PRO 104 N -1.61 0.83 -0.36 4.02 0.11 -1.96 0.42 132.00 133.44 1wnx h PRO 104 Ca -0.51 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.44 1wnx h PRO 104 Cb 1.30 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1wnx h PRO 104 CO 0.57 0.55 -0.22 0.00 -0.21 0.00 0.00 178.00 178.69 1wnx h ALA 105 N 1.45 0.95 -0.21 -0.75 0.00 -1.92 -2.42 119.26 116.36 1wnx h ALA 105 Ca 0.40 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1wnx h ALA 105 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1wnx h ALA 105 CO -0.23 0.61 -0.40 0.28 0.00 0.00 0.00 179.25 179.52 1wnx h VAL 106 N 0.61 1.30 -0.90 0.00 2.07 -1.49 -1.19 116.25 116.66 1wnx h VAL 106 Ca 0.09 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 1wnx h VAL 106 Cb 0.70 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 1wnx h VAL 106 CO 0.05 0.48 0.53 0.40 0.02 0.00 0.00 177.57 179.06 1wnx h ILE 107 N 0.41 1.25 -0.09 4.57 2.04 -0.76 0.65 117.51 125.56 1wnx h ILE 107 Ca 0.04 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 1wnx h ILE 107 Cb 0.87 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1wnx h ILE 107 CO 0.07 0.27 -0.03 -0.78 0.00 0.00 0.00 178.15 177.68 1wnx h ASP 108 N 1.24 0.18 0.28 1.72 3.58 -1.04 -0.30 116.42 122.08 1wnx h ASP 108 Ca 0.32 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1wnx h ASP 108 Cb -0.04 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 1wnx h ASP 108 CO -0.06 0.52 -0.30 0.22 -2.88 0.00 0.00 179.24 176.74 1wnx h TYR 109 N -0.15 -0.79 -0.62 0.28 3.20 -1.05 -1.22 116.97 116.61 1wnx h TYR 109 Ca 0.02 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.01 1wnx h TYR 109 Cb 0.44 0.31 -0.08 0.00 1.54 0.00 0.00 36.73 38.94 1wnx h TYR 109 CO 0.05 -0.42 0.18 0.28 -1.64 0.00 0.00 178.16 176.61 1wnx h VAL 110 N -0.61 0.68 -0.93 1.81 2.07 -0.87 -0.46 116.25 117.94 1wnx h VAL 110 Ca -0.01 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1wnx h VAL 110 Cb 0.57 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1wnx h VAL 110 CO -0.07 0.06 0.61 0.78 0.02 0.00 0.00 177.57 178.96 1wnx h ASN 111 N 0.33 0.97 -0.17 0.57 2.35 -0.75 0.18 115.58 119.06 1wnx h ASN 111 Ca 0.33 -0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.86 1wnx h ASN 111 Cb 0.46 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 38.63 1wnx h ASN 111 CO -0.37 0.64 -0.73 -0.09 -1.65 0.00 0.00 177.43 175.24 1wnx h ARG 112 N 1.11 0.79 -0.48 0.81 9.65 -0.38 -1.29 114.38 124.59 1wnx h ARG 112 Ca 0.38 -0.63 -0.03 0.00 -1.10 0.00 0.00 59.98 58.61 1wnx h ARG 112 Cb 0.11 0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 1wnx h ARG 112 CO -0.13 1.24 0.18 -0.07 2.80 0.00 0.00 179.97 183.98 1wnx h LEU 113 N 0.53 0.63 -0.82 3.80 3.38 -0.36 -1.26 115.31 121.21 1wnx h LEU 113 Ca -0.04 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 1wnx h LEU 113 Cb 1.35 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1wnx h LEU 113 CO 0.15 0.58 -0.39 -0.33 0.09 0.00 0.00 178.44 178.54 1wnx h GLU 114 N 0.69 0.41 -0.38 1.13 5.08 -0.48 -1.19 114.58 119.84 1wnx h GLU 114 Ca 0.16 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1wnx h GLU 114 Cb 0.16 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1wnx h GLU 114 CO -0.01 0.74 -0.15 1.49 -1.00 0.00 0.00 179.01 180.07 1wnx h GLU 115 N 0.34 0.77 -0.50 2.33 4.81 -0.71 -0.24 114.58 121.37 1wnx h GLU 115 Ca 0.03 -0.32 0.04 0.00 -0.13 0.00 0.00 59.36 58.98 1wnx h GLU 115 Cb 0.84 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.15 1wnx h GLU 115 CO 0.07 0.94 0.26 0.82 -0.73 0.00 0.00 179.01 180.37 1wnx h ILE 116 N 0.56 0.98 0.03 2.32 2.04 -1.17 0.74 117.51 123.01 1wnx h ILE 116 Ca 0.09 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.79 1wnx h ILE 116 Cb 0.69 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1wnx h ILE 116 CO 0.05 0.09 -0.12 -0.09 0.00 0.00 0.00 178.15 178.09 1wnx h ARG 117 N 0.52 -0.20 0.00 2.37 2.43 -1.08 0.64 114.38 119.05 1wnx h ARG 117 Ca 0.22 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.30 1wnx h ARG 117 Cb 0.11 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1wnx h ARG 117 CO -0.14 -0.14 -0.48 -0.44 -1.51 0.00 0.00 179.97 177.26 1wnx h ASP 118 N -0.21 0.00 0.16 -3.80 3.32 -0.72 -2.21 116.42 112.96 1wnx h ASP 118 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1wnx h ASP 118 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1wnx h ASP 118 CO -0.10 0.48 -0.31 0.59 -1.72 0.00 0.00 179.24 178.18 1wnx n ASN 119 N -3.44 1.30 -3.95 6.45 3.02 0.23 -4.95 115.26 113.92 1wnx n ASN 119 Ca 0.00 -1.07 -0.34 0.00 -0.03 0.00 0.00 54.58 53.15 1wnx n ASN 119 Cb 0.62 0.23 -0.00 0.00 -0.61 0.00 0.00 39.78 40.02 1wnx n ASN 119 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1wnx n VAL 120 N -0.47 -3.55 -2.82 2.41 0.31 0.08 -4.86 118.33 109.43 1wnx n VAL 120 Ca 0.11 -0.67 -0.43 0.00 -0.01 0.00 0.00 64.34 63.34 1wnx n VAL 120 Cb 0.38 -2.85 -0.02 0.00 -0.91 0.00 0.00 33.84 30.44 1wnx n VAL 120 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wnx s ASP 121 N -3.89 6.69 0.12 4.52 -1.08 -0.38 -4.92 116.67 117.73 1wnx s ASP 121 Ca 0.27 -2.10 -0.28 0.00 -0.52 0.00 0.00 52.55 49.92 1wnx s ASP 121 Cb -0.12 -2.45 -0.07 0.00 -1.46 0.00 0.00 42.92 38.82 1wnx s ASP 121 CO 0.92 -1.12 1.61 1.23 0.52 0.00 0.00 175.17 178.33 1wnx h GLY 122 N 11.00 -0.62 0.39 2.66 0.00 -1.89 -0.92 103.07 113.69 1wnx h GLY 122 Ca 0.22 0.41 0.11 0.00 0.00 0.00 0.00 47.33 48.07 1wnx h GLY 122 CO 1.23 -0.24 0.40 -2.55 0.00 0.00 0.00 176.54 175.37 1wnx h PRO 123 N -0.53 0.62 -0.32 4.80 0.11 -1.91 -0.01 132.00 134.76 1wnx h PRO 123 Ca 0.05 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.03 1wnx h PRO 123 Cb 0.59 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 1wnx h PRO 123 CO -0.25 0.41 -0.19 0.00 -0.21 0.00 0.00 178.00 177.76 1wnx h ALA 124 N 1.48 1.07 -0.28 -0.75 0.00 -1.81 -2.41 119.26 116.56 1wnx h ALA 124 Ca 0.39 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1wnx h ALA 124 Cb 0.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1wnx h ALA 124 CO -0.30 0.57 -0.02 1.25 0.00 0.00 0.00 179.25 180.75 1wnx h LEU 125 N 0.53 0.50 -0.69 0.00 7.12 -0.25 -2.68 115.31 119.84 1wnx h LEU 125 Ca 0.09 -0.33 0.09 0.00 0.13 0.00 0.00 57.88 57.86 1wnx h LEU 125 Cb 0.62 -0.13 -0.07 0.00 -0.53 0.00 0.00 40.66 40.55 1wnx h LEU 125 CO 0.04 0.70 0.34 0.58 -0.13 0.00 0.00 178.44 179.97 1wnx h VAL 126 N 0.28 0.85 -0.44 1.05 2.07 -0.80 0.15 116.25 119.42 1wnx h VAL 126 Ca 0.08 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.46 1wnx h VAL 126 Cb 0.46 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 1wnx h VAL 126 CO 0.02 0.11 0.12 0.00 0.02 0.00 0.00 177.57 177.83 1wnx h ALA 127 N 1.42 0.50 -0.40 1.67 0.00 -1.18 -0.62 119.26 120.65 1wnx h ALA 127 Ca 0.34 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 1wnx h ALA 127 Cb 0.35 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1wnx h ALA 127 CO -0.26 -0.28 0.03 0.45 0.00 0.00 0.00 179.25 179.19 1wnx h HIS 128 N 0.27 0.64 -0.05 0.00 -0.00 -1.01 -2.35 115.15 112.65 1wnx h HIS 128 Ca 0.21 -0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.51 1wnx h HIS 128 Cb 0.24 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 27.46 1wnx h HIS 128 CO -0.18 0.60 -0.00 1.25 -0.00 0.00 0.00 177.93 179.60 1wnx h HIS 129 N 0.59 0.09 -0.27 2.45 6.17 -0.28 -1.90 115.15 122.01 1wnx h HIS 129 Ca 0.13 -0.02 0.06 0.00 0.71 0.00 0.00 60.37 61.25 1wnx h HIS 129 Cb 0.33 -0.02 -0.05 0.00 2.52 0.00 0.00 27.41 30.18 1wnx h HIS 129 CO 0.01 0.37 -0.09 -0.92 0.71 0.00 0.00 177.93 178.01 1wnx h TYR 130 N -0.21 -0.20 -0.54 5.26 3.20 -1.04 0.15 116.97 123.58 1wnx h TYR 130 Ca 0.01 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 1wnx h TYR 130 Cb 0.33 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1wnx h TYR 130 CO 0.03 -0.14 0.12 0.28 -1.64 0.00 0.00 178.16 176.81 1wnx h VAL 131 N -0.03 1.25 0.02 1.81 2.07 -1.37 -1.89 116.25 118.10 1wnx h VAL 131 Ca 0.13 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1wnx h VAL 131 Cb 0.24 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1wnx h VAL 131 CO -0.30 0.33 -0.01 0.03 0.02 0.00 0.00 177.57 177.64 1wnx h ARG 132 N 0.77 -0.02 0.04 1.57 2.47 -1.21 -3.31 114.38 114.69 1wnx h ARG 132 Ca 0.17 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.68 1wnx h ARG 132 Cb 0.36 0.01 0.02 0.00 -1.65 0.00 0.00 29.97 28.70 1wnx h ARG 132 CO 0.00 0.26 -0.84 1.88 0.56 0.00 0.00 179.97 181.84 1wnx h TYR 133 N -1.00 0.76 -0.13 3.04 0.05 -0.77 -1.99 116.97 116.92 1wnx h TYR 133 Ca -0.00 -0.45 -0.09 0.00 0.05 0.00 0.00 58.73 58.24 1wnx h TYR 133 Cb 0.30 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 1wnx h TYR 133 CO 0.08 1.28 -0.31 1.25 -1.05 0.00 0.00 178.16 179.41 1wnx h LEU 134 N 0.03 0.26 -0.36 3.88 5.85 -1.43 -0.84 115.31 122.70 1wnx h LEU 134 Ca -0.12 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.52 1wnx h LEU 134 Cb 1.55 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 1wnx h LEU 134 CO 0.16 0.57 0.24 1.23 -0.34 0.00 0.00 178.44 180.30 1wnx h GLY 135 N 1.07 0.51 1.34 3.75 0.00 -1.59 -1.87 103.07 106.28 1wnx h GLY 135 Ca 0.03 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.06 1wnx h GLY 135 CO 0.05 0.18 -0.21 0.83 0.00 0.00 0.00 176.54 177.38 1wnx h GLU 136 N 0.48 0.77 -0.64 4.80 4.39 -0.81 0.78 114.58 124.35 1wnx h GLU 136 Ca 0.14 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 59.51 1wnx h GLU 136 Cb -0.04 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 1wnx h GLU 136 CO -0.04 0.91 0.29 -0.07 -1.16 0.00 0.00 179.01 178.95 1wnx h LEU 137 N 0.67 0.82 0.22 1.33 3.38 -1.14 -1.38 115.31 119.21 1wnx h LEU 137 Ca 0.09 -0.09 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1wnx h LEU 137 Cb 0.72 -0.21 0.03 0.00 0.09 0.00 0.00 40.66 41.29 1wnx h LEU 137 CO 0.06 0.71 -1.49 0.28 0.09 0.00 0.00 178.44 178.09 1wnx h SER 138 N 0.90 0.72 0.00 -0.43 0.02 -0.81 -3.42 113.55 110.54 1wnx h SER 138 Ca 0.22 -0.82 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 1wnx h SER 138 Cb 0.12 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1wnx h SER 138 CO -0.03 1.65 0.00 0.61 -1.14 0.00 0.00 176.83 177.92 1wnx n GLY 139 N 1.70 0.88 0.32 -3.77 0.00 0.22 -4.82 105.19 99.73 1wnx n GLY 139 Ca -0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 1wnx n GLY 139 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wnx h GLY 140 N 0.00 1.21 0.94 -0.02 0.00 -1.36 -2.45 103.07 101.38 1wnx h GLY 140 Ca 0.00 -0.73 0.12 0.00 0.00 0.00 0.00 47.33 46.72 1wnx h GLY 140 CO 0.00 0.68 0.42 0.06 0.00 0.00 0.00 176.54 177.70 1wnx h GLN 141 N 1.07 0.32 -0.28 4.80 -0.00 -1.78 -1.45 115.11 117.80 1wnx h GLN 141 Ca 0.23 -0.02 -0.17 0.00 -0.00 0.00 0.00 58.65 58.69 1wnx h GLN 141 Cb 0.33 -0.07 0.00 0.00 -0.00 0.00 0.00 27.48 27.74 1wnx h GLN 141 CO -0.00 0.21 -0.49 0.28 -0.00 0.00 0.00 178.83 178.83 1wnx h VAL 142 N 0.33 1.29 -0.56 1.86 2.07 -1.80 -2.15 116.25 117.30 1wnx h VAL 142 Ca 0.29 -1.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.08 1wnx h VAL 142 Cb 0.70 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 1wnx h VAL 142 CO -0.07 0.54 0.16 0.40 0.02 0.00 0.00 177.57 178.62 1wnx h ILE 143 N 0.59 1.24 -0.30 4.57 2.04 -1.35 -1.73 117.51 122.57 1wnx h ILE 143 Ca 0.02 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 1wnx h ILE 143 Cb 1.10 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1wnx h ILE 143 CO 0.11 0.31 0.13 0.00 0.00 0.00 0.00 178.15 178.70 1wnx h ALA 144 N 1.03 0.39 -0.88 1.87 0.00 -1.25 -0.82 119.26 119.60 1wnx h ALA 144 Ca 0.18 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1wnx h ALA 144 Cb 0.31 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1wnx h ALA 144 CO -0.00 -0.02 0.55 -0.09 0.00 0.00 0.00 179.25 179.69 1wnx h ARG 145 N 0.34 0.97 -0.09 0.00 9.65 -1.22 -1.55 114.38 122.49 1wnx h ARG 145 Ca 0.10 -0.06 -0.10 0.00 -1.10 0.00 0.00 59.98 58.82 1wnx h ARG 145 Cb 0.17 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.51 1wnx h ARG 145 CO -0.01 0.64 -0.41 0.52 2.80 0.00 0.00 179.97 183.52 1wnx h MET 146 N 1.00 0.19 -0.54 0.20 2.86 -0.52 -1.42 114.93 116.70 1wnx h MET 146 Ca 0.38 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.88 1wnx h MET 146 Cb 0.16 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1wnx h MET 146 CO -0.17 0.57 0.11 0.52 1.06 0.00 0.00 176.91 179.00 1wnx h MET 147 N 0.16 0.84 -0.14 1.72 2.86 -0.19 0.93 114.93 121.11 1wnx h MET 147 Ca 0.01 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 1wnx h MET 147 Cb 0.79 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.33 1wnx h MET 147 CO 0.06 0.77 -0.01 1.96 1.06 0.00 0.00 176.91 180.75 1wnx h GLN 148 N 0.81 0.26 -0.32 1.72 4.20 -1.26 -2.37 115.11 118.15 1wnx h GLN 148 Ca 0.17 -0.09 -0.10 0.00 0.06 0.00 0.00 58.65 58.69 1wnx h GLN 148 Cb 0.33 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1wnx h GLN 148 CO 0.00 0.51 -0.20 -0.09 -0.67 0.00 0.00 178.83 178.38 1wnx h ARG 149 N -0.03 0.70 0.14 1.46 2.43 -1.06 -1.61 114.38 116.42 1wnx h ARG 149 Ca 0.04 -0.33 -0.35 0.00 -0.81 0.00 0.00 59.98 58.53 1wnx h ARG 149 Cb 0.41 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1wnx h ARG 149 CO 0.01 0.93 -1.88 0.45 -1.51 0.00 0.00 179.97 177.98 1wnx h HIS 150 N 0.46 0.54 -0.01 2.20 3.86 -0.96 -3.42 115.15 117.83 1wnx h HIS 150 Ca 0.06 -0.40 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 1wnx h HIS 150 Cb 0.75 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.20 1wnx h HIS 150 CO 0.06 1.69 -0.13 0.66 0.86 0.00 0.00 177.93 181.07 1wnx n TYR 151 N -3.50 0.00 -1.53 2.45 0.53 -0.93 -5.01 117.16 109.17 1wnx n TYR 151 Ca -0.28 0.00 -0.14 0.00 -1.02 0.00 0.00 57.90 56.46 1wnx n TYR 151 Cb 1.06 0.00 -0.05 0.00 -1.03 0.00 0.00 39.34 39.32 1wnx n TYR 151 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1wnx n GLY 152 N 0.74 1.23 3.73 2.72 0.00 -0.60 -4.80 105.19 108.21 1wnx n GLY 152 Ca 0.04 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1wnx n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wnx s VAL 153 N -2.55 2.26 0.30 1.61 1.01 -1.03 -4.92 120.40 117.08 1wnx s VAL 153 Ca 0.00 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 1wnx s VAL 153 Cb 0.00 -3.13 -0.11 0.00 0.00 0.00 0.00 36.38 33.14 1wnx s VAL 153 CO 0.00 0.02 1.60 -0.62 0.00 0.00 0.00 175.10 176.10 1wnx s ASP 154 N 0.90 6.36 0.59 3.32 2.15 -1.26 -4.47 116.67 124.26 1wnx s ASP 154 Ca 0.69 2.96 0.29 0.00 0.43 0.00 0.00 52.55 56.91 1wnx s ASP 154 Cb -0.47 -2.64 1.67 0.00 -0.30 0.00 0.00 42.92 41.18 1wnx s ASP 154 CO 0.37 -0.92 2.12 1.55 -0.17 0.00 0.00 175.17 178.12 1wnx h PRO 155 N 4.81 0.00 0.00 4.34 0.13 -1.98 -0.71 132.00 138.58 1wnx h PRO 155 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wnx h PRO 155 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wnx h PRO 155 CO 0.79 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.49 1wnx h GLU 156 N 0.00 0.00 -0.62 0.86 5.08 -2.02 -2.14 114.58 115.73 1wnx h GLU 156 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1wnx h GLU 156 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1wnx h GLU 156 CO -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1wnx n ALA 157 N -1.98 3.67 -1.60 3.43 0.00 -0.27 -4.11 120.51 119.64 1wnx n ALA 157 Ca 0.01 -1.72 0.06 0.00 0.00 0.00 0.00 53.44 51.79 1wnx n ALA 157 Cb 0.29 -1.10 0.17 0.00 0.00 0.00 0.00 19.45 18.81 1wnx n ALA 157 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wnx n LEU 158 N 0.66 2.40 0.03 0.00 4.77 -0.80 -4.78 117.00 119.27 1wnx n LEU 158 Ca 0.25 -3.49 0.12 0.00 -0.03 0.00 0.00 56.01 52.87 1wnx n LEU 158 Cb 1.08 -0.44 0.57 0.00 -2.33 0.00 0.00 43.42 42.30 1wnx n LEU 158 CO 0.29 1.16 1.16 1.23 -1.33 0.00 0.00 177.39 179.90 1wnx h GLY 159 N 0.79 0.29 0.16 -0.72 0.00 -1.71 -0.79 103.07 101.08 1wnx h GLY 159 Ca -0.02 -0.09 0.23 0.00 0.00 0.00 0.00 47.33 47.45 1wnx h GLY 159 CO 0.01 0.06 0.63 -2.75 0.00 0.00 0.00 176.54 174.49 1wnx h PHE 160 N 0.22 0.46 -0.21 5.60 3.57 -1.86 -1.61 116.94 123.11 1wnx h PHE 160 Ca 0.19 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1wnx h PHE 160 Cb 0.46 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1wnx h PHE 160 CO -0.00 0.10 0.00 0.66 -2.23 0.00 0.00 178.31 176.84 1wnx n TYR 161 N -4.48 0.26 -4.98 0.41 4.02 -0.30 -4.83 117.16 107.25 1wnx n TYR 161 Ca 0.21 -0.13 -0.28 0.00 -0.01 0.00 0.00 57.90 57.69 1wnx n TYR 161 Cb 0.80 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.96 1wnx n TYR 161 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1wnx s HIS 162 N -1.74 1.92 -0.54 -0.72 3.76 -0.61 -4.43 115.29 112.94 1wnx s HIS 162 Ca 0.34 -0.51 -0.05 0.00 -0.15 0.00 0.00 55.06 54.69 1wnx s HIS 162 Cb 0.19 -1.27 0.14 0.00 1.11 0.00 0.00 32.58 32.75 1wnx s HIS 162 CO 0.28 -0.15 0.36 -0.06 -0.85 0.00 0.00 174.74 174.33 1wnx s PHE 163 N -0.14 3.49 -0.24 1.40 0.40 -1.26 -4.94 117.98 116.69 1wnx s PHE 163 Ca -0.01 -2.44 0.28 0.00 -0.60 0.00 0.00 56.93 54.17 1wnx s PHE 163 Cb -0.11 -3.29 0.92 0.00 0.51 0.00 0.00 43.02 41.05 1wnx s PHE 163 CO 0.02 -0.92 1.80 0.93 0.70 0.00 0.00 175.22 177.75 1wnx h GLU 164 N 7.65 0.00 -0.36 0.44 5.08 -1.93 -3.27 114.58 122.20 1wnx h GLU 164 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1wnx h GLU 164 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1wnx h GLU 164 CO 0.74 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.16 1wnx n GLY 165 N 0.52 0.78 3.36 -3.84 0.00 -1.26 -4.96 105.19 99.79 1wnx n GLY 165 Ca 0.02 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.43 1wnx n GLY 165 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wnx s ILE 166 N -1.52 1.48 1.27 -0.61 -4.36 -1.23 -4.90 121.20 111.32 1wnx s ILE 166 Ca 0.27 -2.12 -0.21 0.00 -0.26 0.00 0.00 60.65 58.33 1wnx s ILE 166 Cb 0.14 -2.23 0.32 0.00 1.25 0.00 0.00 42.46 41.94 1wnx s ILE 166 CO 0.19 -0.45 1.09 0.00 0.24 0.00 0.00 174.94 176.01 1wnx s ALA 167 N -3.13 0.38 -0.29 2.27 0.00 -1.26 -4.89 121.76 114.83 1wnx s ALA 167 Ca 0.26 -1.05 -0.44 0.00 0.00 0.00 0.00 51.96 50.72 1wnx s ALA 167 Cb 0.03 -2.84 -0.20 0.00 0.00 0.00 0.00 23.12 20.11 1wnx s ALA 167 CO 0.08 -3.87 1.39 1.17 0.00 0.00 0.00 175.76 174.53 1wnx n LYS 168 N -5.00 0.04 -0.12 0.00 4.81 -1.26 -4.71 118.16 111.92 1wnx n LYS 168 Ca 0.15 0.02 -0.08 0.00 -0.87 0.00 0.00 58.31 57.52 1wnx n LYS 168 Cb 0.60 -1.52 -0.03 0.00 0.02 0.00 0.00 35.03 34.10 1wnx n LYS 168 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1wnx h LEU 169 N 4.25 -1.24 -0.59 3.14 5.85 -1.99 -0.36 115.31 124.37 1wnx h LEU 169 Ca -0.47 0.20 0.11 0.00 0.84 0.00 0.00 57.88 58.57 1wnx h LEU 169 Cb 1.39 0.56 -0.09 0.00 0.37 0.00 0.00 40.66 42.90 1wnx h LEU 169 CO 0.85 -0.34 0.11 0.50 -0.34 0.00 0.00 178.44 179.21 1wnx h LYS 170 N -0.28 0.23 -0.68 1.25 3.64 -1.96 0.71 116.57 119.48 1wnx h LYS 170 Ca 0.16 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1wnx h LYS 170 Cb 0.56 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1wnx h LYS 170 CO -0.56 0.16 0.18 0.28 -2.27 0.00 0.00 179.45 177.24 1wnx h VAL 171 N 0.24 1.25 -0.51 2.00 2.07 -1.77 -2.58 116.25 116.95 1wnx h VAL 171 Ca 0.31 -0.90 -0.09 0.00 0.82 0.00 0.00 66.70 66.84 1wnx h VAL 171 Cb 0.46 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1wnx h VAL 171 CO -0.41 0.35 -0.02 0.22 0.02 0.00 0.00 177.57 177.74 1wnx h TYR 172 N 1.01 1.00 -0.53 1.57 3.20 0.07 -1.17 116.97 122.13 1wnx h TYR 172 Ca 0.22 -0.18 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 1wnx h TYR 172 Cb 0.32 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1wnx h TYR 172 CO 0.02 0.93 -0.10 0.87 -1.64 0.00 0.00 178.16 178.24 1wnx h LYS 173 N 0.78 1.00 -0.55 1.82 1.57 -0.85 0.30 116.57 120.64 1wnx h LYS 173 Ca 0.14 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1wnx h LYS 173 Cb 0.54 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1wnx h LYS 173 CO 0.03 1.04 0.33 -0.44 -0.57 0.00 0.00 179.45 179.84 1wnx h ASP 174 N 0.89 0.66 -0.28 0.86 3.32 -1.26 -1.87 116.42 118.74 1wnx h ASP 174 Ca 0.14 -0.06 -0.16 0.00 0.02 0.00 0.00 57.03 56.97 1wnx h ASP 174 Cb 0.66 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 1wnx h ASP 174 CO 0.05 0.53 -0.46 -0.33 -1.72 0.00 0.00 179.24 177.30 1wnx h GLU 175 N 0.74 0.81 -0.38 3.56 5.08 -0.90 -2.41 114.58 121.09 1wnx h GLU 175 Ca 0.20 -0.49 0.08 0.00 -1.00 0.00 0.00 59.36 58.14 1wnx h GLU 175 Cb -0.01 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 1wnx h GLU 175 CO -0.04 1.13 -0.19 -0.92 -1.00 0.00 0.00 179.01 177.99 1wnx h TYR 176 N 0.57 -0.48 -0.75 4.33 5.03 -0.35 -0.78 116.97 124.54 1wnx h TYR 176 Ca 0.02 0.04 0.02 0.00 2.58 0.00 0.00 58.73 61.39 1wnx h TYR 176 Cb 1.06 0.27 -0.04 0.00 1.55 0.00 0.00 36.73 39.57 1wnx h TYR 176 CO 0.08 -0.27 0.49 0.00 -1.32 0.00 0.00 178.16 177.14 1wnx h ARG 177 N -0.13 0.95 -0.18 1.82 3.08 -1.28 -1.49 114.38 117.16 1wnx h ARG 177 Ca 0.19 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 1wnx h ARG 177 Cb 0.42 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1wnx h ARG 177 CO -0.46 0.63 -0.32 0.93 -1.07 0.00 0.00 179.97 179.68 1wnx h GLU 178 N 0.98 0.36 -0.58 0.04 4.39 -1.03 -0.69 114.58 118.06 1wnx h GLU 178 Ca 0.28 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.73 1wnx h GLU 178 Cb -0.06 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1wnx h GLU 178 CO -0.07 0.64 -0.04 0.87 -1.16 0.00 0.00 179.01 179.26 1wnx h LYS 179 N 0.31 1.03 -0.19 2.33 1.57 -0.18 -0.65 116.57 120.80 1wnx h LYS 179 Ca 0.04 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1wnx h LYS 179 Cb 0.72 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1wnx h LYS 179 CO 0.06 1.03 0.11 -0.07 -0.57 0.00 0.00 179.45 180.01 1wnx h LEU 180 N 0.94 0.19 -1.35 2.94 3.38 -1.06 -1.40 115.31 118.94 1wnx h LEU 180 Ca 0.16 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1wnx h LEU 180 Cb 0.59 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1wnx h LEU 180 CO 0.04 0.14 0.26 0.78 0.09 0.00 0.00 178.44 179.75 1wnx h ASN 181 N 0.24 0.63 -0.15 -0.43 2.35 -0.85 -2.54 115.58 114.83 1wnx h ASN 181 Ca 0.07 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1wnx h ASN 181 Cb -0.02 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.19 1wnx h ASN 181 CO -0.03 0.52 0.00 0.59 -1.65 0.00 0.00 177.43 176.87 1wnx n ASN 182 N -4.39 2.33 -4.71 5.81 5.03 -0.28 -4.68 115.26 114.37 1wnx n ASN 182 Ca 0.04 -1.79 -0.42 0.00 0.87 0.00 0.00 54.58 53.28 1wnx n ASN 182 Cb 0.11 -0.09 -0.03 0.00 -1.02 0.00 0.00 39.78 38.75 1wnx n ASN 182 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1wnx s LEU 183 N -1.74 4.37 -0.42 3.41 1.43 -0.55 -4.94 118.68 120.24 1wnx s LEU 183 Ca 0.34 2.58 -0.23 0.00 -1.03 0.00 0.00 54.13 55.78 1wnx s LEU 183 Cb 0.20 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.85 1wnx s LEU 183 CO 0.30 -0.83 0.80 -0.70 0.23 0.00 0.00 176.35 176.15 1wnx s GLU 184 N 1.46 3.55 -0.04 1.70 2.56 -1.26 -5.00 118.70 121.67 1wnx s GLU 184 Ca 0.71 0.07 0.02 0.00 0.00 0.00 0.00 54.97 55.77 1wnx s GLU 184 Cb -0.43 -3.89 0.01 0.00 2.00 0.00 0.00 34.13 31.82 1wnx s GLU 184 CO 0.31 -1.03 -0.09 -0.51 -0.56 0.00 0.00 175.26 173.39 1wnx s LEU 185 N 3.27 1.66 0.98 2.70 1.43 -1.26 -5.09 118.68 122.37 1wnx s LEU 185 Ca 0.31 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 1wnx s LEU 185 Cb -0.12 -0.59 0.18 0.00 0.03 0.00 0.00 46.19 45.68 1wnx s LEU 185 CO 0.21 0.04 1.08 -1.54 0.23 0.00 0.00 176.35 176.36 1wnx n SER 186 N 3.55 -0.25 -0.34 2.29 3.41 -1.26 -4.78 113.62 116.24 1wnx n SER 186 Ca -0.21 0.28 0.06 0.00 -0.26 0.00 0.00 58.87 58.74 1wnx n SER 186 Cb 0.53 -1.42 0.21 0.00 -0.26 0.00 0.00 64.21 63.28 1wnx n SER 186 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1wnx h ASP 187 N -2.07 0.85 -0.55 4.04 3.32 -2.01 -1.23 116.42 118.77 1wnx h ASP 187 Ca -0.47 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 56.57 1wnx h ASP 187 Cb 1.29 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 1wnx h ASP 187 CO 0.42 0.47 0.13 -0.08 -1.72 0.00 0.00 179.24 178.46 1wnx h GLU 188 N 0.94 0.89 -0.31 3.56 4.57 -1.99 -0.29 114.58 121.94 1wnx h GLU 188 Ca 0.46 -0.22 -0.06 0.00 -1.18 0.00 0.00 59.36 58.36 1wnx h GLU 188 Cb 0.43 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1wnx h GLU 188 CO -0.26 0.84 -0.05 1.96 -1.18 0.00 0.00 179.01 180.32 1wnx h GLN 189 N 0.78 0.58 -0.47 1.92 4.20 -1.81 -2.24 115.11 118.08 1wnx h GLN 189 Ca 0.17 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1wnx h GLN 189 Cb 0.35 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1wnx h GLN 189 CO 0.00 0.76 0.28 -0.09 -0.67 0.00 0.00 178.83 179.11 1wnx h ARG 190 N 0.36 0.64 -0.83 1.46 2.43 -1.06 -1.15 114.38 116.23 1wnx h ARG 190 Ca 0.08 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1wnx h ARG 190 Cb 0.53 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 1wnx h ARG 190 CO 0.03 0.47 0.36 0.93 -1.51 0.00 0.00 179.97 180.25 1wnx h GLU 191 N 0.62 1.22 -0.57 0.20 5.08 -1.01 -0.65 114.58 119.46 1wnx h GLU 191 Ca 0.17 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1wnx h GLU 191 Cb 0.00 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1wnx h GLU 191 CO -0.03 0.96 0.21 1.25 -1.00 0.00 0.00 179.01 180.40 1wnx h HIS 192 N 1.20 0.89 -0.26 4.33 2.76 -1.18 -0.68 115.15 122.21 1wnx h HIS 192 Ca 0.28 -0.08 -0.03 0.00 -2.20 0.00 0.00 60.37 58.35 1wnx h HIS 192 Cb 0.17 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 1wnx h HIS 192 CO 0.02 0.73 0.05 1.25 -1.30 0.00 0.00 177.93 178.68 1wnx h LEU 193 N 0.80 0.41 -0.97 0.26 6.46 -0.94 -1.16 115.31 120.16 1wnx h LEU 193 Ca 0.19 -0.25 -0.06 0.00 -0.12 0.00 0.00 57.88 57.64 1wnx h LEU 193 Cb 0.23 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.03 1wnx h LEU 193 CO -0.01 0.55 0.09 -0.07 -0.62 0.00 0.00 178.44 178.37 1wnx h LEU 194 N 0.24 0.79 -0.53 2.25 3.38 -0.95 -0.80 115.31 119.68 1wnx h LEU 194 Ca 0.08 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1wnx h LEU 194 Cb 0.31 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1wnx h LEU 194 CO 0.00 0.80 -0.01 0.50 0.09 0.00 0.00 178.44 179.82 1wnx h LYS 195 N 0.80 0.95 -0.33 1.13 3.64 -1.03 -2.75 116.57 118.97 1wnx h LYS 195 Ca 0.17 -0.31 -0.05 0.00 -1.27 0.00 0.00 60.65 59.19 1wnx h LYS 195 Cb 0.35 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1wnx h LYS 195 CO 0.01 0.96 -0.02 1.49 -2.27 0.00 0.00 179.45 179.62 1wnx h GLU 196 N 0.82 0.52 -0.23 1.90 4.57 -0.57 -1.83 114.58 119.75 1wnx h GLU 196 Ca 0.15 -0.12 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1wnx h GLU 196 Cb 0.54 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 1wnx h GLU 196 CO 0.03 0.56 0.03 0.00 -1.18 0.00 0.00 179.01 178.45 1wnx h ALA 197 N 1.49 0.31 -0.37 2.92 0.00 -0.88 0.20 119.26 122.94 1wnx h ALA 197 Ca 0.10 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.91 1wnx h ALA 197 Cb 0.35 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1wnx h ALA 197 CO 0.01 -0.00 -0.20 1.15 0.00 0.00 0.00 179.25 180.21 1wnx h THR 198 N 0.19 0.42 -0.61 0.00 2.02 -1.29 -2.46 112.91 111.18 1wnx h THR 198 Ca 0.07 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.27 1wnx h THR 198 Cb 0.33 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1wnx h THR 198 CO 0.01 0.00 0.41 0.44 0.37 0.00 0.00 175.52 176.74 1wnx h ASP 199 N -0.14 0.66 -0.40 4.18 3.32 -0.57 -1.73 116.42 121.73 1wnx h ASP 199 Ca 0.18 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 1wnx h ASP 199 Cb 0.43 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1wnx h ASP 199 CO -0.46 0.46 0.10 0.00 -1.72 0.00 0.00 179.24 177.62 1wnx h ALA 200 N 1.63 0.53 -0.86 3.45 0.00 -0.23 -1.34 119.26 122.44 1wnx h ALA 200 Ca 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1wnx h ALA 200 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1wnx h ALA 200 CO -0.06 0.21 0.44 0.74 0.00 0.00 0.00 179.25 180.58 1wnx h PHE 201 N 0.50 1.22 -0.85 0.00 -1.00 -0.97 -2.37 116.94 113.47 1wnx h PHE 201 Ca 0.12 -0.05 0.05 0.00 2.81 0.00 0.00 57.97 60.91 1wnx h PHE 201 Cb 0.31 -0.38 -0.06 0.00 3.61 0.00 0.00 35.95 39.44 1wnx h PHE 201 CO 0.02 0.87 0.53 0.28 -1.61 0.00 0.00 178.31 178.39 1wnx h VAL 202 N 1.22 1.08 -0.88 -0.55 2.07 -1.04 0.12 116.25 118.27 1wnx h VAL 202 Ca 0.30 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1wnx h VAL 202 Cb 0.08 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 29.80 1wnx h VAL 202 CO -0.04 0.18 0.50 -0.26 0.02 0.00 0.00 177.57 177.97 1wnx h PHE 203 N 1.00 1.18 -0.55 1.57 0.05 -0.88 -0.44 116.94 118.86 1wnx h PHE 203 Ca 0.36 -0.02 -0.11 0.00 3.82 0.00 0.00 57.97 62.02 1wnx h PHE 203 Cb 0.10 -0.38 -0.02 0.00 2.00 0.00 0.00 35.95 37.65 1wnx h PHE 203 CO -0.03 0.81 -0.07 -0.91 -0.18 0.00 0.00 178.31 177.93 1wnx h ASN 204 N 1.22 1.02 -0.62 2.17 2.35 -0.83 -1.03 115.58 119.86 1wnx h ASN 204 Ca 0.31 -0.33 0.08 0.00 -0.55 0.00 0.00 56.30 55.81 1wnx h ASN 204 Cb -0.00 -0.28 -0.07 0.00 0.05 0.00 0.00 38.32 38.02 1wnx h ASN 204 CO -0.05 1.11 0.27 0.45 -1.65 0.00 0.00 177.43 177.56 1wnx h HIS 205 N 0.91 0.48 0.00 1.19 3.86 0.01 -1.60 115.15 119.99 1wnx h HIS 205 Ca 0.15 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.26 1wnx h HIS 205 Cb 0.63 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 1wnx h HIS 205 CO 0.04 0.16 -0.58 1.96 0.86 0.00 0.00 177.93 180.37 1wnx h GLN 206 N 0.48 0.00 -0.37 2.45 1.08 -0.73 -0.93 115.11 117.09 1wnx h GLN 206 Ca 0.30 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.44 1wnx h GLN 206 Cb 0.33 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1wnx h GLN 206 CO -0.27 0.58 -0.01 0.28 -0.95 0.00 0.00 178.83 178.46 1wnx h VAL 207 N 0.00 1.26 -0.40 -0.54 2.07 -0.81 -1.37 116.25 116.45 1wnx h VAL 207 Ca -0.01 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.41 1wnx h VAL 207 Cb 1.06 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1wnx h VAL 207 CO 0.08 0.34 -0.09 -0.26 0.02 0.00 0.00 177.57 177.66 1wnx h PHE 208 N 0.48 0.75 -0.66 1.57 0.04 -1.06 -1.37 116.94 116.69 1wnx h PHE 208 Ca 0.10 -0.12 -0.04 0.00 2.80 0.00 0.00 57.97 60.71 1wnx h PHE 208 Cb 0.49 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.41 1wnx h PHE 208 CO 0.04 0.76 0.27 0.00 -0.60 0.00 0.00 178.31 178.77 1wnx h ALA 209 N 1.27 0.86 -0.23 2.45 0.00 -0.98 0.11 119.26 122.74 1wnx h ALA 209 Ca 0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wnx h ALA 209 Cb 0.53 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1wnx h ALA 209 CO 0.03 0.48 0.13 -0.44 0.00 0.00 0.00 179.25 179.45 1wnx h ASP 210 N 0.94 0.28 -0.62 0.00 3.32 -0.87 -2.80 116.42 116.67 1wnx h ASP 210 Ca 0.22 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.20 1wnx h ASP 210 Cb 0.20 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1wnx h ASP 210 CO -0.02 0.28 0.41 -0.07 -1.72 0.00 0.00 179.24 178.12 1wnx h LEU 211 N 0.27 0.71 0.00 1.55 3.38 -1.08 -3.52 115.31 116.62 1wnx h LEU 211 Ca 0.08 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1wnx h LEU 211 Cb 0.05 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1wnx h LEU 211 CO -0.01 0.51 0.00 0.61 0.09 0.00 0.00 178.44 179.64