#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wix s SER 2 N 0.00 -0.22 -0.19 1.61 0.01 -1.26 -5.09 113.70 108.56 1wix s SER 2 Ca 0.00 -0.62 -0.13 0.00 1.31 0.00 0.00 55.95 56.51 1wix s SER 2 Cb 0.00 0.62 -0.08 0.00 0.21 0.00 0.00 66.02 66.78 1wix s SER 2 CO 0.00 -1.16 -0.29 -1.54 0.41 0.00 0.00 173.24 170.66 1wix n SER 3 N -0.39 1.69 0.00 2.44 3.41 -1.26 -5.07 113.62 114.45 1wix n SER 3 Ca -0.06 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1wix n SER 3 Cb 0.61 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1wix n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wix n GLY 4 N 1.66 -0.29 0.14 5.00 0.00 -1.26 -5.04 105.19 105.40 1wix n GLY 4 Ca -0.31 0.62 -0.27 0.00 0.00 0.00 0.00 46.02 46.05 1wix n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wix n SER 5 N 0.00 1.96 -0.01 1.61 3.41 -1.26 -4.62 113.62 114.72 1wix n SER 5 Ca 0.00 0.22 -0.11 0.00 -0.26 0.00 0.00 58.87 58.72 1wix n SER 5 Cb 0.00 -0.72 -0.14 0.00 -0.26 0.00 0.00 64.21 63.09 1wix n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1wix h SER 6 N -0.74 0.08 -1.98 4.04 0.87 -2.06 -3.48 113.55 110.28 1wix h SER 6 Ca -0.67 -0.16 -0.58 0.00 -1.23 0.00 0.00 61.79 59.15 1wix h SER 6 Cb 1.69 -0.03 0.19 0.00 -0.44 0.00 0.00 62.40 63.81 1wix h SER 6 CO -0.34 1.14 -1.28 0.61 -0.53 0.00 0.00 176.83 176.43 1wix n GLY 7 N 1.60 -3.47 3.98 5.77 0.00 -1.26 -4.96 105.19 106.85 1wix n GLY 7 Ca -0.17 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 1wix n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wix s LEU 8 N 5.54 3.61 -0.02 0.99 2.34 -1.26 -4.93 118.68 124.94 1wix s LEU 8 Ca 0.53 -0.12 -0.26 0.00 0.06 0.00 0.00 54.13 54.35 1wix s LEU 8 Cb -0.43 -2.83 -0.20 0.00 -0.56 0.00 0.00 46.19 42.17 1wix s LEU 8 CO 0.69 -0.80 1.24 1.55 -1.06 0.00 0.00 176.35 177.97 1wix h PRO 9 N 0.48 -0.04 -1.62 1.48 0.13 -1.94 0.62 132.00 131.11 1wix h PRO 9 Ca -0.43 0.00 0.47 0.00 -0.87 0.00 0.00 66.00 65.18 1wix h PRO 9 Cb 1.27 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.34 1wix h PRO 9 CO 0.51 0.43 1.16 1.25 -0.23 0.00 0.00 178.00 181.12 1wix h LEU 10 N -0.53 0.02 0.00 1.56 5.85 -1.95 0.23 115.31 120.50 1wix h LEU 10 Ca -0.00 0.01 -0.30 0.00 0.84 0.00 0.00 57.88 58.42 1wix h LEU 10 Cb 0.49 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 1wix h LEU 10 CO 0.01 -0.01 -2.14 0.00 -0.34 0.00 0.00 178.44 175.95 1wix n ASP 12 N -2.95 0.00 -0.03 0.00 2.03 0.22 -2.36 116.55 113.45 1wix n ASP 12 Ca -0.33 0.39 -0.08 0.00 0.52 0.00 0.00 54.79 55.28 1wix n ASP 12 Cb 0.92 -0.42 -0.03 0.00 -0.72 0.00 0.00 41.12 40.88 1wix n ASP 12 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1wix n SER 13 N -1.42 1.10 -0.20 1.67 2.88 0.59 -4.61 113.62 113.63 1wix n SER 13 Ca 0.02 0.17 -0.03 0.00 -1.33 0.00 0.00 58.87 57.70 1wix n SER 13 Cb 0.06 -0.41 0.03 0.00 -0.75 0.00 0.00 64.21 63.14 1wix n SER 13 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1wix h LEU 14 N -0.40 -0.88 -0.99 2.46 3.38 -1.57 0.20 115.31 117.49 1wix h LEU 14 Ca -0.15 0.21 0.31 0.00 0.09 0.00 0.00 57.88 58.33 1wix h LEU 14 Cb 0.85 0.48 -0.15 0.00 0.09 0.00 0.00 40.66 41.94 1wix h LEU 14 CO -0.09 -0.27 0.55 0.40 0.09 0.00 0.00 178.44 179.12 1wix h ILE 15 N -0.10 0.33 -0.23 1.22 2.04 -1.76 1.01 117.51 120.02 1wix h ILE 15 Ca 0.26 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.94 1wix h ILE 15 Cb 0.52 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1wix h ILE 15 CO -0.65 0.06 -0.14 0.40 0.00 0.00 0.00 178.15 177.83 1wix h ILE 16 N 0.35 1.21 -0.06 -0.67 2.04 -0.87 -2.22 117.51 117.29 1wix h ILE 16 Ca 0.71 -0.94 -0.19 0.00 1.00 0.00 0.00 64.86 65.45 1wix h ILE 16 Cb 1.58 1.19 0.01 0.00 -0.74 0.00 0.00 36.82 38.86 1wix h ILE 16 CO -0.60 0.30 -0.69 -0.25 0.00 0.00 0.00 178.15 176.92 1wix h TRP 17 N 0.35 0.81 0.00 1.37 7.01 0.12 -3.10 115.95 122.51 1wix h TRP 17 Ca 0.07 -0.40 0.00 0.00 2.11 0.00 0.00 58.89 60.67 1wix h TRP 17 Cb 0.45 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.40 1wix h TRP 17 CO 0.01 1.21 0.00 1.25 -2.79 0.00 0.00 178.44 178.12 1wix h LEU 18 N 0.18 0.00 -1.66 0.65 5.85 -0.88 -2.29 115.31 117.16 1wix h LEU 18 Ca -0.07 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 1wix h LEU 18 Cb 1.35 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 1wix h LEU 18 CO 0.14 0.00 -0.13 1.56 -0.34 0.00 0.00 178.44 179.67 1wix h GLN 19 N 0.00 0.00 -0.05 1.25 4.20 -1.32 -2.57 115.11 116.62 1wix h GLN 19 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1wix h GLN 19 Cb 0.28 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 1wix h GLN 19 CO 0.00 0.13 0.07 1.79 -0.67 0.00 0.00 178.83 180.15 1wix h THR 20 N 0.00 0.39 -3.17 -0.54 1.35 -1.56 -3.37 112.91 106.01 1wix h THR 20 Ca -0.00 0.00 -0.68 0.00 -0.55 0.00 0.00 66.41 65.18 1wix h THR 20 Cb 0.48 0.94 -0.17 0.00 -1.73 0.00 0.00 68.15 67.66 1wix h THR 20 CO 0.02 0.00 0.14 -0.36 -0.25 0.00 0.00 175.52 175.06 1wix s PHE 21 N -4.52 3.00 -0.08 4.73 0.40 -0.97 -4.91 117.98 115.63 1wix s PHE 21 Ca -0.05 -0.55 0.01 0.00 -0.60 0.00 0.00 56.93 55.74 1wix s PHE 21 Cb 0.14 -3.70 0.10 0.00 0.51 0.00 0.00 43.02 40.07 1wix s PHE 21 CO 0.51 -1.14 1.25 0.36 0.70 0.00 0.00 175.22 176.90 1wix n LYS 22 N 6.41 1.21 -0.76 0.44 2.85 -1.26 -4.85 118.16 122.20 1wix n LYS 22 Ca -0.06 -0.48 -0.27 0.00 -1.05 0.00 0.00 58.31 56.45 1wix n LYS 22 Cb 0.45 -1.19 0.10 0.00 -0.65 0.00 0.00 35.03 33.74 1wix n LYS 22 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1wix n THR 23 N 0.34 0.00 0.04 0.58 -2.24 -1.26 -4.71 114.28 107.03 1wix n THR 23 Ca 0.10 -0.10 0.22 0.00 -2.27 0.00 0.00 64.05 62.00 1wix n THR 23 Cb 0.67 -0.29 0.72 0.00 -2.10 0.00 0.00 70.33 69.32 1wix n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wix h ALA 24 N -1.85 2.27 -3.06 6.98 0.00 -1.96 -3.36 119.26 118.26 1wix h ALA 24 Ca -0.35 -0.02 -0.66 0.00 0.00 0.00 0.00 54.91 53.89 1wix h ALA 24 Cb 1.06 0.04 -0.27 0.00 0.00 0.00 0.00 17.79 18.62 1wix h ALA 24 CO 0.22 -0.80 -0.72 0.45 0.00 0.00 0.00 179.25 178.40 1wix s SER 25 N -5.15 4.32 1.22 0.00 0.15 -1.26 -5.09 113.70 107.89 1wix s SER 25 Ca -0.04 -0.36 -0.20 0.00 0.70 0.00 0.00 55.95 56.05 1wix s SER 25 Cb 0.16 -1.73 0.30 0.00 -1.71 0.00 0.00 66.02 63.04 1wix s SER 25 CO 0.56 0.02 1.11 -2.16 1.20 0.00 0.00 173.24 173.98 1wix s PRO 26 N 1.23 -1.40 -0.25 5.44 0.04 -1.26 -4.61 135.00 134.19 1wix s PRO 26 Ca 0.03 -0.13 -0.02 0.00 0.04 0.00 0.00 61.00 60.91 1wix s PRO 26 Cb -0.14 -1.58 0.12 0.00 0.04 0.00 0.00 34.50 32.93 1wix s PRO 26 CO -0.02 -3.82 0.28 0.00 0.04 0.00 0.00 177.00 173.48 1wix n GLN 28 N 5.32 0.00 -3.98 0.00 1.13 -1.26 -4.77 117.38 113.81 1wix n GLN 28 Ca -0.04 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.78 1wix n GLN 28 Cb 0.48 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.80 1wix n GLN 28 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1wix s ASP 29 N -1.83 6.17 0.54 1.08 2.15 -1.26 -4.99 116.67 118.52 1wix s ASP 29 Ca 0.00 0.07 0.24 0.00 0.43 0.00 0.00 52.55 53.29 1wix s ASP 29 Cb 0.00 -1.80 1.41 0.00 -0.30 0.00 0.00 42.92 42.23 1wix s ASP 29 CO 0.00 0.01 2.04 -0.37 -0.17 0.00 0.00 175.17 176.68 1wix h VAL 30 N 1.52 0.75 0.00 1.11 -1.51 -1.98 0.37 116.25 116.51 1wix h VAL 30 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 1wix h VAL 30 Cb 1.21 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 1wix h VAL 30 CO 0.65 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 177.28 1wix n LYS 31 N -4.31 0.02 -0.04 5.19 5.02 -1.26 -0.65 118.16 122.13 1wix n LYS 31 Ca 0.06 0.24 -0.03 0.00 -2.02 0.00 0.00 58.31 56.55 1wix n LYS 31 Cb 0.45 -1.53 -0.14 0.00 -0.02 0.00 0.00 35.03 33.79 1wix n LYS 31 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1wix n GLN 32 N -1.57 0.66 0.01 1.97 6.02 0.13 -4.30 117.38 120.30 1wix n GLN 32 Ca 0.04 0.06 0.05 0.00 -0.01 0.00 0.00 57.00 57.13 1wix n GLN 32 Cb 0.20 -1.64 -0.10 0.00 1.02 0.00 0.00 30.24 29.72 1wix n GLN 32 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wix n LEU 33 N -2.74 0.45 0.29 1.08 7.99 -1.01 -4.17 117.00 118.88 1wix n LEU 33 Ca -0.19 0.19 0.10 0.00 -0.01 0.00 0.00 56.01 56.09 1wix n LEU 33 Cb 0.95 0.09 0.44 0.00 -0.11 0.00 0.00 43.42 44.79 1wix n LEU 33 CO 0.44 0.08 1.08 0.71 -1.51 0.00 0.00 177.39 178.19 1wix h THR 34 N 0.00 0.02 0.33 -5.08 1.35 -1.07 0.45 112.91 108.90 1wix h THR 34 Ca -0.13 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.71 1wix h THR 34 Cb 1.37 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 1wix h THR 34 CO 0.02 0.00 -0.16 0.78 -0.25 0.00 0.00 175.52 175.91 1wix h ASN 35 N 0.00 -0.37 0.00 5.36 4.21 -1.83 -3.44 115.58 119.51 1wix h ASN 35 Ca 0.04 -0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.37 1wix h ASN 35 Cb 1.38 0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.67 1wix h ASN 35 CO -0.00 0.06 0.00 0.61 -1.29 0.00 0.00 177.43 176.81 1wix n GLY 36 N 0.01 0.99 0.08 2.83 0.00 0.15 -3.67 105.19 105.58 1wix n GLY 36 Ca -0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 46.02 45.70 1wix n GLY 36 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wix h VAL 37 N 0.00 0.00 -0.45 1.61 2.07 -1.83 0.17 116.25 117.82 1wix h VAL 37 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1wix h VAL 37 Cb 0.00 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.69 1wix h VAL 37 CO 0.00 0.00 -0.49 0.74 0.02 0.00 0.00 177.57 177.84 1wix h THR 38 N -0.01 0.00 -0.55 2.57 2.02 -1.87 -0.41 112.91 114.66 1wix h THR 38 Ca 0.03 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.27 1wix h THR 38 Cb 0.08 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.39 1wix h THR 38 CO -0.17 0.00 -0.54 0.24 0.37 0.00 0.00 175.52 175.42 1wix h MET 39 N -0.28 -0.28 -0.34 6.66 2.86 -1.69 -0.17 114.93 121.70 1wix h MET 39 Ca 0.08 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.80 1wix h MET 39 Cb 0.49 0.06 -0.08 0.00 0.06 0.00 0.00 31.60 32.13 1wix h MET 39 CO -0.58 -0.19 -0.44 0.00 1.06 0.00 0.00 176.91 176.76 1wix h ALA 40 N 0.18 -0.51 -0.97 6.32 0.00 0.12 0.19 119.26 124.60 1wix h ALA 40 Ca 0.11 0.04 0.23 0.00 0.00 0.00 0.00 54.91 55.28 1wix h ALA 40 Cb 0.56 0.89 -0.08 0.00 0.00 0.00 0.00 17.79 19.16 1wix h ALA 40 CO -0.68 -0.90 0.63 1.96 0.00 0.00 0.00 179.25 180.26 1wix h GLN 41 N -0.38 0.43 -0.21 0.00 4.20 -0.09 0.23 115.11 119.30 1wix h GLN 41 Ca 0.12 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.65 1wix h GLN 41 Cb 0.60 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1wix h GLN 41 CO -0.53 0.29 -0.48 0.28 -0.67 0.00 0.00 178.83 177.71 1wix h VAL 42 N 0.45 1.31 -0.85 -0.54 2.07 0.11 -3.10 116.25 115.69 1wix h VAL 42 Ca 0.53 -1.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 1wix h VAL 42 Cb 1.27 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 1wix h VAL 42 CO -0.24 0.53 0.45 -0.07 0.02 0.00 0.00 177.57 178.26 1wix h LEU 43 N 0.43 1.08 -2.11 2.57 3.38 0.13 -1.73 115.31 119.06 1wix h LEU 43 Ca 0.02 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 57.96 1wix h LEU 43 Cb 1.00 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1wix h LEU 43 CO 0.09 0.88 0.23 -0.74 0.09 0.00 0.00 178.44 178.99 1wix h HIS 44 N 1.20 0.00 0.01 1.13 2.76 -1.35 0.34 115.15 119.24 1wix h HIS 44 Ca 0.30 0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 58.24 1wix h HIS 44 Cb 0.06 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 1wix h HIS 44 CO 0.01 0.00 -1.11 1.96 -1.30 0.00 0.00 177.93 177.50 1wix h GLN 45 N 0.00 0.03 -0.55 5.26 4.20 -1.40 -3.20 115.11 119.45 1wix h GLN 45 Ca 0.12 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 1wix h GLN 45 Cb 0.58 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1wix h GLN 45 CO -0.00 0.97 0.14 0.82 -0.67 0.00 0.00 178.83 180.09 1wix h ILE 46 N 0.01 1.24 -0.73 2.54 2.04 -0.69 -3.43 117.51 118.49 1wix h ILE 46 Ca -0.05 -0.86 0.13 0.00 1.00 0.00 0.00 64.86 65.07 1wix h ILE 46 Cb 1.82 0.75 -0.21 0.00 -0.74 0.00 0.00 36.82 38.45 1wix h ILE 46 CO 0.13 0.32 -0.16 -0.62 0.00 0.00 0.00 178.15 177.82 1wix s ASP 47 N -6.20 -1.08 0.47 1.72 2.15 -1.01 -4.65 116.67 108.07 1wix s ASP 47 Ca -0.13 0.46 0.32 0.00 0.43 0.00 0.00 52.55 53.63 1wix s ASP 47 Cb 0.12 1.82 1.38 0.00 -0.30 0.00 0.00 42.92 45.94 1wix s ASP 47 CO 0.80 -0.20 1.94 -0.37 -0.17 0.00 0.00 175.17 177.17 1wix h VAL 48 N 5.63 0.00 -0.28 1.11 -1.51 -1.72 0.17 116.25 119.65 1wix h VAL 48 Ca -0.14 -0.35 -0.08 0.00 -1.23 0.00 0.00 66.70 64.90 1wix h VAL 48 Cb 1.17 1.26 -0.02 0.00 -2.13 0.00 0.00 31.29 31.57 1wix h VAL 48 CO 0.10 0.00 -0.16 0.00 -1.23 0.00 0.00 177.57 176.28 1wix h ALA 49 N 2.07 1.21 0.00 5.19 0.00 -1.95 -2.91 119.26 122.87 1wix h ALA 49 Ca 0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1wix h ALA 49 Cb 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1wix h ALA 49 CO 0.00 0.51 -1.75 1.87 0.00 0.00 0.00 179.25 179.88 1wix n TRP 50 N -4.18 0.00 -3.60 0.00 -0.00 -1.03 -4.76 117.44 103.87 1wix n TRP 50 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.50 57.23 1wix n TRP 50 Cb 0.34 -0.46 -0.10 0.00 -0.00 0.00 0.00 31.31 31.09 1wix n TRP 50 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 1wix n PHE 51 N -2.20 2.16 -3.21 5.87 3.01 0.57 -4.98 117.46 118.67 1wix n PHE 51 Ca -0.11 -4.00 -0.28 0.00 1.01 0.00 0.00 57.45 54.08 1wix n PHE 51 Cb 0.61 -0.41 -0.02 0.00 -0.01 0.00 0.00 39.48 39.65 1wix n PHE 51 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1wix s SER 52 N -1.42 6.41 0.49 4.37 1.04 -1.10 -4.18 113.70 119.32 1wix s SER 52 Ca 0.32 0.74 0.41 0.00 0.48 0.00 0.00 55.95 57.90 1wix s SER 52 Cb 0.05 -2.16 1.61 0.00 0.10 0.00 0.00 66.02 65.62 1wix s SER 52 CO -0.13 -0.28 1.57 -0.62 0.98 0.00 0.00 173.24 174.76 1wix n GLU 53 N -1.27 -0.02 -0.12 4.02 -0.58 -1.26 0.10 120.64 121.50 1wix n GLU 53 Ca -0.01 1.18 -0.05 0.00 -0.42 0.00 0.00 57.16 57.85 1wix n GLU 53 Cb 0.54 -2.50 0.03 0.00 -0.57 0.00 0.00 31.44 28.95 1wix n GLU 53 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1wix h SER 54 N 0.00 0.15 0.41 1.62 0.87 -1.98 0.15 113.55 114.78 1wix h SER 54 Ca 0.91 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 61.50 1wix h SER 54 Cb 3.28 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 65.28 1wix h SER 54 CO -0.26 0.12 -0.20 -0.25 -0.53 0.00 0.00 176.83 175.71 1wix h TRP 55 N 0.30 -0.51 -0.06 2.24 7.01 0.30 -2.84 115.95 122.40 1wix h TRP 55 Ca 0.19 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.19 1wix h TRP 55 Cb 0.17 0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 27.40 1wix h TRP 55 CO -0.15 -0.19 0.19 1.25 -2.79 0.00 0.00 178.44 176.75 1wix h LEU 56 N -0.86 0.00 -0.05 0.65 5.85 -1.38 0.17 115.31 119.68 1wix h LEU 56 Ca -0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1wix h LEU 56 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1wix h LEU 56 CO 0.09 0.00 0.00 -0.24 -0.34 0.00 0.00 178.44 177.95 1wix n SER 57 N -3.21 0.04 0.01 1.25 2.88 0.52 -1.30 113.62 113.81 1wix n SER 57 Ca -0.01 0.51 0.11 0.00 -1.33 0.00 0.00 58.87 58.15 1wix n SER 57 Cb 0.27 -0.52 0.14 0.00 -0.75 0.00 0.00 64.21 63.35 1wix n SER 57 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wix n ARG 58 N -1.54 0.05 -3.21 -1.46 5.12 0.59 -4.90 116.66 111.30 1wix n ARG 58 Ca 0.02 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.59 1wix n ARG 58 Cb 0.12 -1.52 -0.06 0.00 -1.16 0.00 0.00 32.46 29.85 1wix n ARG 58 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1wix s ILE 59 N -3.03 4.69 0.27 0.55 -1.09 -0.42 -4.96 121.20 117.21 1wix s ILE 59 Ca 0.09 1.12 0.11 0.00 -2.23 0.00 0.00 60.65 59.74 1wix s ILE 59 Cb 0.17 -3.82 -0.05 0.00 -1.58 0.00 0.00 42.46 37.17 1wix s ILE 59 CO 0.75 0.26 -0.19 -0.54 -1.23 0.00 0.00 174.94 173.99 1wix s LYS 60 N -1.87 1.63 -0.00 2.79 1.02 -1.26 -5.04 119.74 117.00 1wix s LYS 60 Ca 0.40 -1.75 0.05 0.00 0.02 0.00 0.00 55.97 54.69 1wix s LYS 60 Cb -0.16 -1.67 -0.07 0.00 -0.52 0.00 0.00 37.83 35.41 1wix s LYS 60 CO 0.20 0.30 0.19 -3.47 -0.92 0.00 0.00 175.35 171.65 1wix n ASP 61 N -0.59 1.45 0.27 2.83 -0.08 -1.26 -4.58 116.55 114.59 1wix n ASP 61 Ca -0.05 -0.41 0.09 0.00 -1.51 0.00 0.00 54.79 52.91 1wix n ASP 61 Cb 0.60 1.08 0.50 0.00 2.34 0.00 0.00 41.12 45.65 1wix n ASP 61 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1wix h ASP 62 N 0.00 0.00 -1.41 1.67 3.58 -1.96 -2.46 116.42 115.83 1wix h ASP 62 Ca 0.00 0.00 0.41 0.00 0.42 0.00 0.00 57.03 57.86 1wix h ASP 62 Cb 0.17 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.16 1wix h ASP 62 CO 0.00 0.00 1.20 1.33 -2.88 0.00 0.00 179.24 178.89 1wix n VAL 63 N -2.50 0.00 -0.21 2.25 0.24 -1.26 -1.84 118.33 115.00 1wix n VAL 63 Ca -0.01 1.25 -0.01 0.00 -2.04 0.00 0.00 64.34 63.52 1wix n VAL 63 Cb 0.48 -2.14 0.01 0.00 -1.47 0.00 0.00 33.84 30.72 1wix n VAL 63 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wix n GLY 64 N -1.74 -1.17 0.48 7.63 0.00 -0.93 0.11 105.19 109.57 1wix n GLY 64 Ca 0.32 0.62 0.08 0.00 0.00 0.00 0.00 46.02 47.04 1wix n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wix n ASP 65 N -4.80 1.91 -4.24 1.61 8.00 -0.77 -4.91 116.55 113.35 1wix n ASP 65 Ca 0.05 -1.45 -0.33 0.00 0.71 0.00 0.00 54.79 53.76 1wix n ASP 65 Cb 0.21 0.32 -0.15 0.00 -0.02 0.00 0.00 41.12 41.47 1wix n ASP 65 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1wix s ASN 66 N -1.77 3.62 0.04 -2.24 0.01 0.31 -4.99 114.94 109.92 1wix s ASN 66 Ca 0.16 -0.50 0.16 0.00 -0.71 0.00 0.00 52.86 51.96 1wix s ASN 66 Cb 0.14 -1.57 -0.16 0.00 0.41 0.00 0.00 41.25 40.07 1wix s ASN 66 CO 0.35 0.05 0.79 -2.67 -1.51 0.00 0.00 177.10 174.11 1wix n TRP 67 N 4.28 1.00 -0.12 2.20 4.27 -1.26 -4.09 117.44 123.72 1wix n TRP 67 Ca -0.19 0.34 -0.12 0.00 -3.89 0.00 0.00 57.50 53.64 1wix n TRP 67 Cb 0.51 -1.12 0.01 0.00 -1.36 0.00 0.00 31.31 29.35 1wix n TRP 67 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1wix h ARG 68 N 0.00 0.92 -0.11 -2.67 3.08 -1.94 -2.90 114.38 110.77 1wix h ARG 68 Ca -0.19 -0.44 0.03 0.00 0.07 0.00 0.00 59.98 59.45 1wix h ARG 68 Cb 1.69 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.73 1wix h ARG 68 CO 0.05 1.10 0.08 0.82 -1.07 0.00 0.00 179.97 180.95 1wix h ILE 69 N 0.77 0.93 0.54 2.04 2.04 -1.94 -2.94 117.51 118.94 1wix h ILE 69 Ca 0.08 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 1wix h ILE 69 Cb 0.90 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1wix h ILE 69 CO 0.08 0.00 -0.34 0.11 0.00 0.00 0.00 178.15 178.01 1wix h LYS 70 N 0.00 -0.79 -0.71 2.37 1.57 -1.67 -3.09 116.57 114.25 1wix h LYS 70 Ca 0.05 0.05 0.10 0.00 -1.87 0.00 0.00 60.65 58.98 1wix h LYS 70 Cb 0.21 0.18 -0.12 0.00 0.08 0.00 0.00 32.23 32.58 1wix h LYS 70 CO -0.00 -0.53 -0.46 0.00 -0.57 0.00 0.00 179.45 177.89 1wix h ALA 71 N -1.41 -0.32 -0.92 3.86 0.00 -1.61 0.31 119.26 119.17 1wix h ALA 71 Ca -0.07 0.13 0.37 0.00 0.00 0.00 0.00 54.91 55.34 1wix h ALA 71 Cb 0.66 1.05 -0.17 0.00 0.00 0.00 0.00 17.79 19.33 1wix h ALA 71 CO 0.07 -0.83 0.44 0.43 0.00 0.00 0.00 179.25 179.36 1wix n SER 72 N -5.39 0.27 0.06 0.00 7.64 -1.19 -0.68 113.62 114.34 1wix n SER 72 Ca 0.03 1.53 -0.06 0.00 1.01 0.00 0.00 58.87 61.38 1wix n SER 72 Cb 0.34 -0.73 -0.03 0.00 -1.01 0.00 0.00 64.21 62.78 1wix n SER 72 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1wix h ASN 73 N 0.00 -0.22 -1.66 6.43 2.35 -0.35 -3.23 115.58 118.90 1wix h ASN 73 Ca 0.76 -0.09 0.52 0.00 -0.55 0.00 0.00 56.30 56.94 1wix h ASN 73 Cb 1.96 0.06 -0.11 0.00 0.05 0.00 0.00 38.32 40.28 1wix h ASN 73 CO -0.73 0.28 1.13 -0.07 -1.65 0.00 0.00 177.43 176.40 1wix h LEU 74 N -1.04 0.11 0.43 1.61 3.38 0.08 0.42 115.31 120.31 1wix h LEU 74 Ca -0.03 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1wix h LEU 74 Cb 0.30 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1wix h LEU 74 CO 0.04 -0.14 -0.21 0.11 0.09 0.00 0.00 178.44 178.33 1wix h LYS 75 N 0.00 -0.56 -0.49 1.13 1.57 -1.21 -2.31 116.57 114.71 1wix h LYS 75 Ca 0.91 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.78 1wix h LYS 75 Cb 3.27 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 35.66 1wix h LYS 75 CO -0.26 -0.25 0.21 0.87 -0.57 0.00 0.00 179.45 179.45 1wix h LYS 76 N -0.91 0.41 0.18 3.15 1.57 -0.24 -0.46 116.57 120.27 1wix h LYS 76 Ca -0.06 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1wix h LYS 76 Cb 0.57 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1wix h LYS 76 CO 0.10 0.27 -0.29 0.28 -0.57 0.00 0.00 179.45 179.24 1wix h VAL 77 N 0.42 0.00 -0.32 0.50 2.07 -1.21 0.13 116.25 117.84 1wix h VAL 77 Ca 0.22 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.81 1wix h VAL 77 Cb 0.18 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.87 1wix h VAL 77 CO -0.19 0.00 -0.17 0.25 0.02 0.00 0.00 177.57 177.48 1wix h LEU 78 N -0.49 -0.57 -1.82 2.57 5.85 -1.31 0.82 115.31 120.35 1wix h LEU 78 Ca -0.02 0.13 0.16 0.00 0.84 0.00 0.00 57.88 58.99 1wix h LEU 78 Cb 0.46 0.31 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 1wix h LEU 78 CO -0.10 -0.21 0.46 -0.74 -0.34 0.00 0.00 178.44 177.52 1wix h HIS 79 N -0.13 0.21 -0.16 1.25 2.76 -0.88 0.77 115.15 118.97 1wix h HIS 79 Ca 0.16 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.31 1wix h HIS 79 Cb 0.38 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 1wix h HIS 79 CO -0.37 0.08 -0.05 0.78 -1.30 0.00 0.00 177.93 177.06 1wix h GLY 80 N 0.18 0.26 0.00 5.26 0.00 0.18 -2.02 103.07 106.93 1wix h GLY 80 Ca 0.32 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 1wix h GLY 80 CO -0.05 0.13 -0.39 -2.22 0.00 0.00 0.00 176.54 174.01 1wix h ILE 81 N 0.24 0.91 -0.17 2.60 5.03 -0.75 -3.11 117.51 122.26 1wix h ILE 81 Ca 0.05 -1.81 0.04 0.00 -0.12 0.00 0.00 64.86 63.03 1wix h ILE 81 Cb 0.26 1.84 -0.07 0.00 -3.03 0.00 0.00 36.82 35.82 1wix h ILE 81 CO 0.01 0.31 -0.48 0.71 -0.68 0.00 0.00 178.15 178.02 1wix h THR 82 N -1.00 0.08 -0.42 -0.27 1.35 -1.37 0.80 112.91 112.08 1wix h THR 82 Ca -0.09 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.82 1wix h THR 82 Cb 0.78 0.08 -0.02 0.00 -1.73 0.00 0.00 68.15 67.25 1wix h THR 82 CO -0.05 0.00 0.28 0.77 -0.25 0.00 0.00 175.52 176.27 1wix h SER 83 N -0.51 0.33 0.65 5.36 4.64 -1.56 0.28 113.55 122.73 1wix h SER 83 Ca 0.07 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.32 1wix h SER 83 Cb 0.65 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1wix h SER 83 CO -0.44 0.22 -0.28 0.22 -0.87 0.00 0.00 176.83 175.68 1wix h TYR 84 N 0.37 0.00 0.00 4.77 3.20 -0.89 0.54 116.97 124.97 1wix h TYR 84 Ca 0.18 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.95 1wix h TYR 84 Cb 0.25 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1wix h TYR 84 CO -0.00 0.28 -0.85 1.88 -1.64 0.00 0.00 178.16 177.84 1wix h TYR 85 N 0.00 0.00 0.00 -3.82 0.05 0.11 -1.91 116.97 111.40 1wix h TYR 85 Ca -0.00 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.48 1wix h TYR 85 Cb 0.68 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.37 1wix h TYR 85 CO 0.00 0.41 -2.00 0.72 -1.05 0.00 0.00 178.16 176.24 1wix n HIS 86 N -3.02 0.50 0.00 4.88 8.25 -0.74 0.21 115.22 125.30 1wix n HIS 86 Ca -0.02 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1wix n HIS 86 Cb 0.73 -1.06 0.00 0.00 1.12 0.00 0.00 29.99 30.78 1wix n HIS 86 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1wix n GLU 87 N -2.86 0.00 0.01 -0.41 -0.58 0.19 -3.62 120.64 113.37 1wix n GLU 87 Ca -0.23 0.11 -0.01 0.00 -0.42 0.00 0.00 57.16 56.61 1wix n GLU 87 Cb 1.06 -0.61 -0.01 0.00 -0.57 0.00 0.00 31.44 31.31 1wix n GLU 87 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1wix h PHE 88 N 0.00 -0.11 0.30 -0.32 3.04 -1.51 -3.32 116.94 115.02 1wix h PHE 88 Ca 0.00 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1wix h PHE 88 Cb 0.00 0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.56 1wix h PHE 88 CO 0.00 -0.04 -0.15 -0.07 -2.02 0.00 0.00 178.31 176.03 1wix h LEU 89 N -0.05 -0.34 0.00 0.59 3.38 -1.53 -3.49 115.31 113.87 1wix h LEU 89 Ca -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1wix h LEU 89 Cb 0.05 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1wix h LEU 89 CO -0.02 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1wix n GLY 90 N 0.62 1.83 2.79 0.83 0.00 0.16 -4.96 105.19 106.46 1wix n GLY 90 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 1wix n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wix n GLN 91 N 0.00 -1.09 -3.35 1.61 10.64 0.57 -4.60 117.38 121.16 1wix n GLN 91 Ca 0.00 -1.48 -0.15 0.00 -1.83 0.00 0.00 57.00 53.54 1wix n GLN 91 Cb 0.00 -1.02 -0.04 0.00 -0.86 0.00 0.00 30.24 28.33 1wix n GLN 91 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1wix n GLN 92 N -3.14 1.01 -4.46 2.61 10.64 -1.18 -1.97 117.38 120.89 1wix n GLN 92 Ca 0.12 -1.90 -0.21 0.00 -1.83 0.00 0.00 57.00 53.17 1wix n GLN 92 Cb 0.42 0.80 -0.16 0.00 -0.86 0.00 0.00 30.24 30.44 1wix n GLN 92 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1wix s ILE 93 N -2.19 0.89 0.38 -0.39 1.01 -1.26 -4.37 121.20 115.27 1wix s ILE 93 Ca 0.06 -0.41 -0.23 0.00 0.00 0.00 0.00 60.65 60.08 1wix s ILE 93 Cb 0.00 -0.79 -0.10 0.00 0.01 0.00 0.00 42.46 41.57 1wix s ILE 93 CO 0.04 0.28 0.93 -0.44 0.00 0.00 0.00 174.94 175.76 1wix s SER 94 N 0.25 7.09 0.42 3.58 0.01 -1.25 -4.90 113.70 118.91 1wix s SER 94 Ca -0.05 1.73 0.17 0.00 1.31 0.00 0.00 55.95 59.11 1wix s SER 94 Cb -0.10 -2.55 0.91 0.00 0.21 0.00 0.00 66.02 64.50 1wix s SER 94 CO 0.01 -0.23 1.44 -0.33 0.41 0.00 0.00 173.24 174.54 1wix h GLU 95 N 2.46 0.00 -0.05 12.44 5.08 -1.97 0.37 114.58 132.91 1wix h GLU 95 Ca -0.48 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.77 1wix h GLU 95 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1wix h GLU 95 CO 0.63 0.00 -0.45 0.93 -1.00 0.00 0.00 179.01 179.12 1wix h GLU 96 N 0.00 0.12 0.00 2.33 4.39 -2.00 -3.09 114.58 116.33 1wix h GLU 96 Ca 0.00 -0.06 -0.21 0.00 0.34 0.00 0.00 59.36 59.42 1wix h GLU 96 Cb 0.66 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.27 1wix h GLU 96 CO 0.00 0.55 -1.66 1.28 -1.16 0.00 0.00 179.01 178.03 1wix n LEU 97 N -3.99 0.69 -4.52 1.33 4.77 0.13 -4.87 117.00 110.53 1wix n LEU 97 Ca -0.02 0.31 -0.46 0.00 -0.03 0.00 0.00 56.01 55.82 1wix n LEU 97 Cb 0.49 0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.68 1wix n LEU 97 CO 0.41 0.24 1.85 -0.38 -1.33 0.00 0.00 177.39 178.19 1wix n ILE 98 N -2.86 0.23 -1.79 -0.08 2.08 -1.04 -4.76 119.36 111.14 1wix n ILE 98 Ca -0.14 -0.39 -0.33 0.00 0.56 0.00 0.00 62.75 62.45 1wix n ILE 98 Cb 0.92 -2.13 0.04 0.00 -0.75 0.00 0.00 39.64 37.72 1wix n ILE 98 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1wix s PRO 99 N 6.51 2.84 -0.67 0.38 0.04 -1.26 -4.99 135.00 137.85 1wix s PRO 99 Ca 1.05 1.40 -0.13 0.00 0.04 0.00 0.00 61.00 63.36 1wix s PRO 99 Cb -0.58 -1.95 0.17 0.00 0.04 0.00 0.00 34.50 32.18 1wix s PRO 99 CO 0.41 -1.22 0.60 -0.51 0.04 0.00 0.00 177.00 176.32 1wix s ASP 100 N -2.54 6.33 0.18 6.66 1.11 -1.26 -4.91 116.67 122.24 1wix s ASP 100 Ca 0.67 -2.29 -0.10 0.00 0.18 0.00 0.00 52.55 51.01 1wix s ASP 100 Cb -0.21 -2.16 0.08 0.00 1.07 0.00 0.00 42.92 41.70 1wix s ASP 100 CO 0.41 -0.68 1.69 -0.07 1.18 0.00 0.00 175.17 177.70 1wix h LEU 101 N 8.20 0.95 -1.41 1.23 3.38 -1.94 -1.51 115.31 124.21 1wix h LEU 101 Ca -0.09 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.72 1wix h LEU 101 Cb 1.06 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 1wix h LEU 101 CO 0.87 0.94 0.47 0.78 0.09 0.00 0.00 178.44 181.59 1wix h ASN 102 N 0.92 0.62 0.79 -0.43 2.35 -1.98 0.51 115.58 118.36 1wix h ASN 102 Ca 0.19 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1wix h ASN 102 Cb 0.37 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1wix h ASN 102 CO 0.00 0.39 -0.34 0.00 -1.65 0.00 0.00 177.43 175.83 1wix n GLN 103 N -4.48 0.08 -0.04 0.81 3.00 -1.01 -2.26 117.38 113.47 1wix n GLN 103 Ca 0.11 0.03 -0.04 0.00 -0.01 0.00 0.00 57.00 57.09 1wix n GLN 103 Cb 0.26 -1.56 -0.14 0.00 0.00 0.00 0.00 30.24 28.80 1wix n GLN 103 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1wix n ILE 104 N -1.68 1.15 -0.00 5.09 5.41 0.27 -0.66 119.36 128.93 1wix n ILE 104 Ca 0.05 -0.75 -0.04 0.00 1.00 0.00 0.00 62.75 63.02 1wix n ILE 104 Cb 0.36 -0.54 -0.11 0.00 -0.71 0.00 0.00 39.64 38.64 1wix n ILE 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1wix n THR 105 N -2.75 1.31 -0.07 1.39 -1.04 0.15 -2.12 114.28 111.15 1wix n THR 105 Ca -0.20 -0.74 -0.18 0.00 -2.04 0.00 0.00 64.05 60.89 1wix n THR 105 Cb 0.97 -0.78 -0.13 0.00 -1.82 0.00 0.00 70.33 68.57 1wix n THR 105 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1wix n GLU 106 N -2.90 0.69 -0.10 -2.82 1.02 -0.96 -4.71 120.64 110.86 1wix n GLU 106 Ca -0.15 0.18 -0.19 0.00 -0.02 0.00 0.00 57.16 56.99 1wix n GLU 106 Cb 0.94 -1.60 -0.08 0.00 -0.02 0.00 0.00 31.44 30.68 1wix n GLU 106 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wix n ALA 108 N -3.59 -0.15 -1.62 0.00 0.00 0.16 -4.95 120.51 110.36 1wix n ALA 108 Ca -0.38 0.08 -0.40 0.00 0.00 0.00 0.00 53.44 52.74 1wix n ALA 108 Cb 0.81 -1.02 0.02 0.00 0.00 0.00 0.00 19.45 19.26 1wix n ALA 108 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1wix n ASP 109 N 0.82 1.27 0.23 0.00 2.03 -1.23 -4.71 116.55 114.96 1wix n ASP 109 Ca -0.07 0.99 0.10 0.00 0.52 0.00 0.00 54.79 56.32 1wix n ASP 109 Cb 0.39 -1.37 0.50 0.00 -0.72 0.00 0.00 41.12 39.92 1wix n ASP 109 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1wix h PRO 110 N 1.37 0.00 0.05 -0.67 0.13 -1.96 -1.96 132.00 128.96 1wix h PRO 110 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1wix h PRO 110 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1wix h PRO 110 CO 0.56 0.23 -0.02 -0.24 -0.23 0.00 0.00 178.00 178.29 1wix h VAL 111 N 0.00 1.30 -0.25 1.56 3.04 -1.96 -3.04 116.25 116.89 1wix h VAL 111 Ca -0.00 -1.39 -0.04 0.00 -1.01 0.00 0.00 66.70 64.25 1wix h VAL 111 Cb 0.67 2.19 -0.01 0.00 -2.01 0.00 0.00 31.29 32.12 1wix h VAL 111 CO 0.03 0.34 -0.01 -0.33 -1.01 0.00 0.00 177.57 176.59 1wix h GLU 112 N -0.71 0.45 -0.71 4.17 3.07 -1.93 -3.09 114.58 115.82 1wix h GLU 112 Ca -0.01 -0.15 0.16 0.00 -0.50 0.00 0.00 59.36 58.86 1wix h GLU 112 Cb 0.61 -0.04 -0.11 0.00 -0.84 0.00 0.00 28.75 28.36 1wix h GLU 112 CO 0.01 0.63 0.09 1.25 -1.40 0.00 0.00 179.01 179.59 1wix h LEU 113 N 0.23 -0.15 -1.47 1.33 7.12 -1.46 0.19 115.31 121.10 1wix h LEU 113 Ca 0.07 0.16 0.09 0.00 0.13 0.00 0.00 57.88 58.33 1wix h LEU 113 Cb 0.43 0.25 -0.05 0.00 -0.53 0.00 0.00 40.66 40.76 1wix h LEU 113 CO 0.01 -0.09 0.47 1.23 -0.13 0.00 0.00 178.44 179.93 1wix h GLY 114 N 0.19 0.85 0.24 3.75 0.00 -1.45 -2.01 103.07 104.64 1wix h GLY 114 Ca 0.39 -0.25 0.11 0.00 0.00 0.00 0.00 47.33 47.58 1wix h GLY 114 CO -0.55 0.15 0.19 3.21 0.00 0.00 0.00 176.54 179.54 1wix h ARG 115 N 0.61 0.33 0.17 4.80 2.47 -0.62 -1.70 114.38 120.44 1wix h ARG 115 Ca 0.32 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 59.01 1wix h ARG 115 Cb 0.45 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1wix h ARG 115 CO -0.11 0.22 -0.08 1.25 0.56 0.00 0.00 179.97 181.81 1wix h LEU 116 N 0.34 -0.19 -1.61 3.04 5.85 -1.36 -2.66 115.31 118.71 1wix h LEU 116 Ca 0.33 -0.11 0.27 0.00 0.84 0.00 0.00 57.88 59.21 1wix h LEU 116 Cb 0.47 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.48 1wix h LEU 116 CO -0.37 -0.01 0.69 -0.07 -0.34 0.00 0.00 178.44 178.34 1wix h LEU 117 N -0.37 0.28 -0.10 2.25 3.38 -1.29 0.27 115.31 119.74 1wix h LEU 117 Ca -0.02 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1wix h LEU 117 Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1wix h LEU 117 CO 0.04 0.07 0.06 -0.61 0.09 0.00 0.00 178.44 178.09 1wix h GLN 118 N 0.26 0.13 -0.89 1.13 4.15 -0.96 0.23 115.11 119.15 1wix h GLN 118 Ca 0.54 -0.01 0.15 0.00 0.77 0.00 0.00 58.65 60.10 1wix h GLN 118 Cb 1.63 -0.03 -0.09 0.00 0.21 0.00 0.00 27.48 29.20 1wix h GLN 118 CO -0.17 0.11 0.49 -0.07 -1.93 0.00 0.00 178.83 177.26 1wix h LEU 119 N 0.11 0.63 -0.10 -2.39 -0.00 -0.90 0.14 115.31 112.80 1wix h LEU 119 Ca 0.04 0.08 -0.24 0.00 -0.00 0.00 0.00 57.88 57.76 1wix h LEU 119 Cb 0.01 -0.02 0.01 0.00 -0.00 0.00 0.00 40.66 40.66 1wix h LEU 119 CO -0.01 0.27 -0.96 0.40 -0.00 0.00 0.00 178.44 178.14 1wix h ILE 120 N 0.70 1.32 0.00 1.22 2.04 -1.33 -3.11 117.51 118.35 1wix h ILE 120 Ca 0.48 -2.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.06 1wix h ILE 120 Cb 0.65 2.33 -0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1wix h ILE 120 CO -0.35 0.70 -0.02 0.25 0.00 0.00 0.00 178.15 178.73 1wix h LEU 121 N 0.35 0.00 0.06 1.44 7.12 0.68 -3.03 115.31 121.93 1wix h LEU 121 Ca -0.10 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.91 1wix h LEU 121 Cb 1.60 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.73 1wix h LEU 121 CO 0.18 0.02 -0.03 1.23 -0.13 0.00 0.00 178.44 179.72 1wix h GLY 122 N 1.28 -0.08 1.80 3.75 0.00 -0.71 -3.25 103.07 105.85 1wix h GLY 122 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1wix h GLY 122 CO 0.00 -0.03 0.10 0.00 0.00 0.00 0.00 176.54 176.61 1wix n ALA 124 N -2.01 2.18 0.11 0.00 0.00 -1.15 -3.01 120.51 116.63 1wix n ALA 124 Ca -0.03 -0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.34 1wix n ALA 124 Cb 0.16 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.20 1wix n ALA 124 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1wix n VAL 125 N -1.49 0.00 -2.09 0.00 0.24 1.00 -4.16 118.33 111.83 1wix n VAL 125 Ca 0.07 -0.49 -0.06 0.00 -2.04 0.00 0.00 64.34 61.82 1wix n VAL 125 Cb 0.29 1.04 0.09 0.00 -1.47 0.00 0.00 33.84 33.80 1wix n VAL 125 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1wix n ASN 126 N -0.09 2.72 -4.01 -1.34 3.02 -0.95 -4.95 115.26 109.66 1wix n ASN 126 Ca 0.01 -3.24 -0.26 0.00 -0.03 0.00 0.00 54.58 51.05 1wix n ASN 126 Cb 0.06 -0.42 -0.07 0.00 -0.61 0.00 0.00 39.78 38.74 1wix n ASN 126 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wix h GLU 128 N 0.00 0.50 -0.00 0.00 4.11 -1.90 -3.02 114.58 114.26 1wix h GLU 128 Ca -0.33 -0.31 0.00 0.00 0.07 0.00 0.00 59.36 58.79 1wix h GLU 128 Cb 1.20 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1wix h GLU 128 CO 0.54 0.91 -0.06 1.63 0.07 0.00 0.00 179.01 182.10 1wix n LYS 129 N -4.37 0.70 -0.22 1.06 5.02 -1.26 -4.28 118.16 114.80 1wix n LYS 129 Ca -0.06 -0.17 0.02 0.00 -2.02 0.00 0.00 58.31 56.07 1wix n LYS 129 Cb 0.47 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 34.04 1wix n LYS 129 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1wix n LYS 130 N -1.00 -0.10 -0.22 1.97 2.85 -1.14 0.24 118.16 120.76 1wix n LYS 130 Ca 0.16 0.93 0.03 0.00 -1.05 0.00 0.00 58.31 58.38 1wix n LYS 130 Cb 0.25 -1.39 0.14 0.00 -0.65 0.00 0.00 35.03 33.38 1wix n LYS 130 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1wix h GLN 131 N 0.00 0.22 -0.85 -1.58 1.08 -1.81 0.38 115.11 112.55 1wix h GLN 131 Ca 0.25 -0.01 0.25 0.00 -1.45 0.00 0.00 58.65 57.68 1wix h GLN 131 Cb 0.40 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.75 1wix h GLN 131 CO -0.61 0.15 0.66 1.49 -0.95 0.00 0.00 178.83 179.57 1wix h GLU 132 N 0.23 0.00 0.07 1.46 4.81 0.28 -1.07 114.58 120.35 1wix h GLU 132 Ca 0.36 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.26 1wix h GLU 132 Cb 0.58 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 1wix h GLU 132 CO -0.48 0.00 -1.83 0.72 -0.73 0.00 0.00 179.01 176.69 1wix n HIS 133 N -4.09 1.02 -0.34 0.92 8.25 0.11 -4.22 115.22 116.86 1wix n HIS 133 Ca 0.18 0.29 0.27 0.00 -0.26 0.00 0.00 57.72 58.19 1wix n HIS 133 Cb 0.96 -1.12 0.52 0.00 1.12 0.00 0.00 29.99 31.47 1wix n HIS 133 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1wix h ILE 134 N -0.35 0.24 -0.22 1.59 5.03 0.47 1.35 117.51 125.61 1wix h ILE 134 Ca -0.43 -0.08 -0.06 0.00 -0.12 0.00 0.00 64.86 64.17 1wix h ILE 134 Cb 1.76 -0.03 -0.01 0.00 -3.03 0.00 0.00 36.82 35.51 1wix h ILE 134 CO -0.05 0.04 -0.13 0.07 -0.68 0.00 0.00 178.15 177.40 1wix h LYS 135 N 0.24 0.36 -0.23 2.37 2.10 -1.62 -2.90 116.57 116.89 1wix h LYS 135 Ca 0.76 -0.09 -0.04 0.00 -2.00 0.00 0.00 60.65 59.28 1wix h LYS 135 Cb 1.87 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 33.15 1wix h LYS 135 CO -0.60 0.49 -0.01 -0.91 -2.00 0.00 0.00 179.45 176.42 1wix h ASN 136 N 0.34 0.40 -0.92 7.07 4.21 0.16 -2.93 115.58 123.91 1wix h ASN 136 Ca 0.07 -0.32 0.15 0.00 1.21 0.00 0.00 56.30 57.40 1wix h ASN 136 Cb 0.43 -0.11 -0.07 0.00 -1.12 0.00 0.00 38.32 37.45 1wix h ASN 136 CO 0.02 0.62 0.59 0.40 -1.29 0.00 0.00 177.43 177.78 1wix h ILE 137 N 0.17 0.83 -0.65 2.81 5.03 -1.24 -0.54 117.51 123.91 1wix h ILE 137 Ca 0.06 -0.25 -0.06 0.00 -0.12 0.00 0.00 64.86 64.49 1wix h ILE 137 Cb 0.42 0.04 -0.03 0.00 -3.03 0.00 0.00 36.82 34.22 1wix h ILE 137 CO 0.01 0.13 0.18 0.24 -0.68 0.00 0.00 178.15 178.04 1wix h MET 138 N 0.73 1.03 0.00 2.37 2.86 -1.41 -2.24 114.93 118.28 1wix h MET 138 Ca 0.47 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 1wix h MET 138 Cb 0.72 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 1wix h MET 138 CO -0.23 0.91 -0.04 1.79 1.06 0.00 0.00 176.91 180.41 1wix h THR 139 N 0.96 0.26 -4.04 2.22 1.35 -0.94 -3.44 112.91 109.28 1wix h THR 139 Ca 0.21 -0.28 -0.49 0.00 -0.55 0.00 0.00 66.41 65.29 1wix h THR 139 Cb 0.33 1.22 0.17 0.00 -1.73 0.00 0.00 68.15 68.13 1wix h THR 139 CO -0.00 0.04 0.22 -0.76 -0.25 0.00 0.00 175.52 174.76 1wix s LEU 140 N -6.74 2.34 0.42 3.87 1.43 -0.84 -4.94 118.68 114.22 1wix s LEU 140 Ca -0.03 1.76 -0.26 0.00 -1.03 0.00 0.00 54.13 54.57 1wix s LEU 140 Cb 0.13 -4.13 -0.09 0.00 0.03 0.00 0.00 46.19 42.12 1wix s LEU 140 CO 0.51 -2.92 1.45 -0.70 0.23 0.00 0.00 176.35 174.92 1wix s GLU 141 N -4.77 3.83 0.04 1.70 2.56 -1.26 -4.60 118.70 116.20 1wix s GLU 141 Ca 0.65 2.48 -0.07 0.00 0.00 0.00 0.00 54.97 58.02 1wix s GLU 141 Cb -0.20 -2.77 -0.02 0.00 2.00 0.00 0.00 34.13 33.15 1wix s GLU 141 CO 0.58 -0.72 0.96 -1.91 -0.56 0.00 0.00 175.26 173.61 1wix n GLU 142 N 0.03 -0.10 -0.32 4.30 2.13 -1.26 0.78 120.64 126.21 1wix n GLU 142 Ca 0.04 0.95 0.18 0.00 0.66 0.00 0.00 57.16 58.99 1wix n GLU 142 Cb 0.41 -1.42 0.36 0.00 0.27 0.00 0.00 31.44 31.06 1wix n GLU 142 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1wix h SER 143 N 0.00 0.03 0.31 4.31 0.87 -2.01 0.98 113.55 118.03 1wix h SER 143 Ca 0.04 0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 1wix h SER 143 Cb 0.09 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1wix h SER 143 CO -0.21 -0.24 -0.15 0.58 -0.53 0.00 0.00 176.83 176.28 1wix h VAL 144 N 0.15 0.72 -1.02 2.23 2.07 0.03 -2.76 116.25 117.67 1wix h VAL 144 Ca 0.64 -0.18 0.34 0.00 0.82 0.00 0.00 66.70 68.31 1wix h VAL 144 Cb 1.40 0.82 -0.15 0.00 -1.52 0.00 0.00 31.29 31.84 1wix h VAL 144 CO -0.72 0.04 0.58 1.56 0.02 0.00 0.00 177.57 179.05 1wix h GLN 145 N -0.51 0.27 0.21 1.57 4.20 0.17 0.19 115.11 121.21 1wix h GLN 145 Ca -0.04 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1wix h GLN 145 Cb 0.38 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1wix h GLN 145 CO 0.07 0.18 -0.10 1.25 -0.67 0.00 0.00 178.83 179.56 1wix h HIS 146 N 0.28 -0.26 -0.28 2.96 2.76 -1.17 0.13 115.15 119.57 1wix h HIS 146 Ca 0.75 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.98 1wix h HIS 146 Cb 1.78 0.09 -0.07 0.00 1.55 0.00 0.00 27.41 30.76 1wix h HIS 146 CO -0.01 -0.16 -0.19 0.28 -1.30 0.00 0.00 177.93 176.54 1wix h VAL 147 N -0.29 0.46 -0.62 5.26 2.07 -1.23 0.71 116.25 122.62 1wix h VAL 147 Ca -0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.60 1wix h VAL 147 Cb 0.22 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1wix h VAL 147 CO 0.05 0.00 0.42 0.58 0.02 0.00 0.00 177.57 178.64 1wix h VAL 148 N -0.17 0.87 0.00 2.57 2.07 -0.71 -0.34 116.25 120.53 1wix h VAL 148 Ca 0.15 -0.13 -0.23 0.00 0.82 0.00 0.00 66.70 67.31 1wix h VAL 148 Cb 0.40 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1wix h VAL 148 CO -0.38 0.07 -1.16 0.24 0.02 0.00 0.00 177.57 176.36 1wix h MET 149 N 0.38 0.00 0.04 1.57 2.07 0.13 -3.35 114.93 115.77 1wix h MET 149 Ca 0.29 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.92 1wix h MET 149 Cb 0.63 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.36 1wix h MET 149 CO -0.08 0.89 -0.02 1.15 1.07 0.00 0.00 176.91 179.92 1wix h THR 150 N 0.00 1.11 -0.92 2.22 2.02 0.20 -3.05 112.91 114.50 1wix h THR 150 Ca -0.07 -0.51 0.25 0.00 0.77 0.00 0.00 66.41 66.85 1wix h THR 150 Cb 1.82 1.45 -0.16 0.00 -1.74 0.00 0.00 68.15 69.52 1wix h THR 150 CO 0.12 0.13 0.07 0.00 0.37 0.00 0.00 175.52 176.21 1wix h ALA 151 N 0.66 1.13 -0.03 6.16 0.00 -1.46 0.16 119.26 125.89 1wix h ALA 151 Ca -0.01 0.30 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1wix h ALA 151 Cb 0.26 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1wix h ALA 151 CO 0.01 -0.53 -0.24 0.82 0.00 0.00 0.00 179.25 179.31 1wix h ILE 152 N 0.07 0.44 -0.61 0.00 5.03 -1.69 0.19 117.51 120.94 1wix h ILE 152 Ca 0.56 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 65.32 1wix h ILE 152 Cb 1.12 0.44 -0.04 0.00 -3.03 0.00 0.00 36.82 35.32 1wix h ILE 152 CO -0.81 0.00 0.38 1.56 -0.68 0.00 0.00 178.15 178.59 1wix h GLN 153 N -0.36 0.72 0.00 2.37 1.08 -0.78 -0.40 115.11 117.74 1wix h GLN 153 Ca 0.07 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1wix h GLN 153 Cb 0.46 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1wix h GLN 153 CO -0.23 0.48 0.00 1.49 -0.95 0.00 0.00 178.83 179.61 1wix h GLU 154 N 0.74 0.00 0.20 1.46 4.81 -0.53 -1.21 114.58 120.05 1wix h GLU 154 Ca 0.25 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.15 1wix h GLU 154 Cb 0.02 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.42 1wix h GLU 154 CO -0.10 0.00 -1.52 -0.07 -0.73 0.00 0.00 179.01 176.59 1wix h LEU 155 N 0.00 0.65 -0.30 1.64 3.38 0.97 -3.26 115.31 118.39 1wix h LEU 155 Ca 0.00 -0.78 -0.20 0.00 0.09 0.00 0.00 57.88 56.99 1wix h LEU 155 Cb 0.35 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1wix h LEU 155 CO 0.00 1.63 -0.86 0.24 0.09 0.00 0.00 178.44 179.54 1wix h MET 156 N 0.11 0.23 0.00 1.13 2.86 -0.92 -1.70 114.93 116.65 1wix h MET 156 Ca -0.26 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.11 1wix h MET 156 Cb 2.10 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 33.82 1wix h MET 156 CO 0.22 0.96 -0.14 0.77 1.06 0.00 0.00 176.91 179.78 1wix h SER 157 N 0.13 0.00 -0.25 1.22 0.02 -1.34 -1.97 113.55 111.36 1wix h SER 157 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1wix h SER 157 Cb 1.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.02 1wix h SER 157 CO 0.13 0.14 0.00 0.29 -1.14 0.00 0.00 176.83 176.25 1wix n LYS 158 N -3.87 2.05 -0.06 3.45 5.02 -1.18 -4.57 118.16 118.98 1wix n LYS 158 Ca -0.02 -1.79 -0.14 0.00 -2.02 0.00 0.00 58.31 54.34 1wix n LYS 158 Cb 0.23 -1.28 -0.13 0.00 -0.02 0.00 0.00 35.03 33.84 1wix n LYS 158 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1wix h SER 159 N 2.38 -0.00 -2.99 4.39 4.64 -0.49 -3.32 113.55 118.15 1wix h SER 159 Ca 0.00 -0.95 0.00 0.00 -0.47 0.00 0.00 61.79 60.37 1wix h SER 159 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1wix h SER 159 CO 0.00 0.95 0.00 0.61 -0.87 0.00 0.00 176.83 177.52 1wix n GLY 160 N 1.49 -1.83 3.73 -0.77 0.00 -1.23 -3.12 105.19 103.46 1wix n GLY 160 Ca -0.10 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1wix n GLY 160 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wix s PRO 161 N -0.47 4.37 -0.07 1.61 0.04 -1.26 -4.70 135.00 134.53 1wix s PRO 161 Ca 0.00 2.04 -0.05 0.00 0.04 0.00 0.00 61.00 63.03 1wix s PRO 161 Cb 0.00 -3.22 0.03 0.00 0.04 0.00 0.00 34.50 31.35 1wix s PRO 161 CO 0.00 -0.31 0.17 -1.12 0.04 0.00 0.00 177.00 175.78 1wix s SER 162 N 0.62 -0.16 -0.12 6.66 0.01 -1.26 -5.15 113.70 114.29 1wix s SER 162 Ca 0.59 0.34 -0.03 0.00 1.31 0.00 0.00 55.95 58.16 1wix s SER 162 Cb -0.36 0.30 -0.03 0.00 0.21 0.00 0.00 66.02 66.13 1wix s SER 162 CO 0.35 -0.10 -0.01 -0.44 0.41 0.00 0.00 173.24 173.45 1wix s SER 163 N 0.54 5.06 0.00 2.44 0.01 -1.26 -5.02 113.70 115.46 1wix s SER 163 Ca -0.04 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.24 1wix s SER 163 Cb -0.05 -1.61 0.00 0.00 0.21 0.00 0.00 66.02 64.56 1wix s SER 163 CO -0.03 0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.51