#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 4.24 -0.45 1.61 0.01 -1.26 -5.03 113.70 112.83 1wix s SER 2 Ca 0.00 -0.21 -0.40 0.00 1.31 0.00 0.00 55.95 56.66 1wix s SER 2 Cb 0.00 -0.91 -0.17 0.00 0.21 0.00 0.00 66.02 65.15 1wix s SER 2 CO 0.00 0.31 1.82 -1.54 0.41 0.00 0.00 173.24 174.24 1wix n SER 3 N 1.91 0.75 -0.66 2.44 3.41 -1.26 -4.83 113.62 115.37 1wix n SER 3 Ca -0.16 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1wix n SER 3 Cb 0.52 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 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 6.13 2.87 3.33 5.00 0.00 -1.26 -5.19 105.19 116.07 1wix n GLY 4 Ca 0.45 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 1wix n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wix s SER 5 N -0.08 -0.29 -0.25 1.61 0.01 -1.26 -5.13 113.70 108.31 1wix s SER 5 Ca 0.00 -0.24 -0.25 0.00 1.31 0.00 0.00 55.95 56.77 1wix s SER 5 Cb 0.00 0.49 0.07 0.00 0.21 0.00 0.00 66.02 66.79 1wix s SER 5 CO 0.00 -0.85 0.70 -0.44 0.41 0.00 0.00 173.24 173.06 1wix s SER 6 N -2.73 -0.73 0.39 2.44 0.01 -1.26 -5.14 113.70 106.68 1wix s SER 6 Ca 0.02 1.36 0.00 0.00 1.31 0.00 0.00 55.95 58.64 1wix s SER 6 Cb 0.01 1.37 0.00 0.00 0.21 0.00 0.00 66.02 67.61 1wix s SER 6 CO -0.11 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1wix n GLY 7 N 2.57 -1.67 3.55 3.44 0.00 -1.26 -4.18 105.19 107.64 1wix n GLY 7 Ca -0.14 -1.26 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 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 0.00 1.26 -0.02 0.99 2.34 -1.26 -4.66 118.68 117.33 1wix s LEU 8 Ca 0.00 1.57 -0.25 0.00 0.06 0.00 0.00 54.13 55.51 1wix s LEU 8 Cb 0.00 -3.60 -0.20 0.00 -0.56 0.00 0.00 46.19 41.83 1wix s LEU 8 CO 0.00 -3.86 1.23 1.55 -1.06 0.00 0.00 176.35 174.21 1wix h PRO 9 N -2.39 -0.05 -1.56 1.48 0.13 -1.94 0.60 132.00 128.27 1wix h PRO 9 Ca -0.58 0.00 0.45 0.00 -0.87 0.00 0.00 66.00 65.01 1wix h PRO 9 Cb 1.32 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.40 1wix h PRO 9 CO 0.50 0.42 1.18 1.25 -0.23 0.00 0.00 178.00 181.12 1wix h LEU 10 N -0.54 0.00 0.00 1.56 5.85 -1.95 0.40 115.31 120.64 1wix h LEU 10 Ca -0.01 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.44 1wix h LEU 10 Cb 0.49 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 1wix h LEU 10 CO 0.01 0.00 -2.04 0.00 -0.34 0.00 0.00 178.44 176.07 1wix n ASP 12 N -2.87 0.19 -0.06 0.00 2.03 0.21 -2.58 116.55 113.47 1wix n ASP 12 Ca -0.30 0.56 -0.13 0.00 0.52 0.00 0.00 54.79 55.45 1wix n ASP 12 Cb 0.89 -0.60 -0.04 0.00 -0.72 0.00 0.00 41.12 40.65 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 -1.73 1.09 -0.23 1.67 2.88 0.12 -4.62 113.62 112.80 1wix n SER 13 Ca 0.02 0.13 0.02 0.00 -1.33 0.00 0.00 58.87 57.70 1wix n SER 13 Cb 0.11 -0.34 0.11 0.00 -0.75 0.00 0.00 64.21 63.34 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 -0.39 -0.43 -0.76 2.46 3.38 -1.55 0.29 115.31 118.31 1wix h LEU 14 Ca -0.30 0.19 0.18 0.00 0.09 0.00 0.00 57.88 58.03 1wix h LEU 14 Cb 1.28 0.35 -0.13 0.00 0.09 0.00 0.00 40.66 42.25 1wix h LEU 14 CO -0.17 -0.18 0.04 0.40 0.09 0.00 0.00 178.44 178.62 1wix h ILE 15 N 0.07 0.36 -0.63 1.22 2.04 -1.77 0.63 117.51 119.41 1wix h ILE 15 Ca 0.35 -0.04 0.16 0.00 1.00 0.00 0.00 64.86 66.33 1wix h ILE 15 Cb 0.58 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1wix h ILE 15 CO -0.63 0.02 0.44 0.40 0.00 0.00 0.00 178.15 178.38 1wix h ILE 16 N 0.13 0.75 0.04 -0.67 2.04 -1.19 0.63 117.51 119.24 1wix h ILE 16 Ca 0.42 -0.05 -0.24 0.00 1.00 0.00 0.00 64.86 65.99 1wix h ILE 16 Cb 0.76 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1wix h ILE 16 CO -0.65 0.03 -1.03 -0.25 0.00 0.00 0.00 178.15 176.25 1wix h TRP 17 N 0.16 0.56 0.00 1.37 7.01 0.31 -3.16 115.95 122.19 1wix h TRP 17 Ca 0.31 -0.33 0.00 0.00 2.11 0.00 0.00 58.89 60.97 1wix h TRP 17 Cb 0.99 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 28.00 1wix h TRP 17 CO -0.00 1.18 0.00 1.25 -2.79 0.00 0.00 178.44 178.08 1wix h LEU 18 N 0.17 0.00 -1.85 0.65 5.85 -0.07 -3.06 115.31 117.01 1wix h LEU 18 Ca -0.10 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1wix h LEU 18 Cb 1.70 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.72 1wix h LEU 18 CO 0.17 0.00 -0.13 1.56 -0.34 0.00 0.00 178.44 179.70 1wix h GLN 19 N 0.00 0.00 -0.28 1.25 4.20 -1.01 -2.39 115.11 116.88 1wix h GLN 19 Ca 0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1wix h GLN 19 Cb 0.65 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1wix h GLN 19 CO 0.00 0.13 0.20 1.79 -0.67 0.00 0.00 178.83 180.28 1wix h THR 20 N 0.00 0.91 -2.89 -0.54 1.35 -1.69 -3.37 112.91 106.69 1wix h THR 20 Ca -0.00 -0.04 -0.62 0.00 -0.55 0.00 0.00 66.41 65.20 1wix h THR 20 Cb 0.35 0.80 -0.14 0.00 -1.73 0.00 0.00 68.15 67.43 1wix h THR 20 CO 0.02 0.02 0.52 -0.36 -0.25 0.00 0.00 175.52 175.47 1wix s PHE 21 N -5.13 2.74 -0.09 4.73 0.40 -0.90 -4.89 117.98 114.83 1wix s PHE 21 Ca -0.06 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 55.93 1wix s PHE 21 Cb 0.18 -4.16 0.12 0.00 0.51 0.00 0.00 43.02 39.67 1wix s PHE 21 CO 0.70 -1.50 1.27 0.36 0.70 0.00 0.00 175.22 176.75 1wix n LYS 22 N 7.53 1.24 -0.91 0.44 2.85 -1.26 -4.94 118.16 123.12 1wix n LYS 22 Ca -0.02 -0.57 -0.35 0.00 -1.05 0.00 0.00 58.31 56.32 1wix n LYS 22 Cb 0.46 -1.22 0.08 0.00 -0.65 0.00 0.00 35.03 33.70 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 0.29 0.04 -0.56 0.58 -2.24 -1.26 -4.70 114.28 106.42 1wix n THR 23 Ca 0.11 -0.35 0.45 0.00 -2.27 0.00 0.00 64.05 62.00 1wix n THR 23 Cb 0.70 -0.32 0.74 0.00 -2.10 0.00 0.00 70.33 69.35 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 -1.25 3.28 -2.74 6.98 0.00 -1.98 -3.37 119.26 120.17 1wix h ALA 24 Ca -0.44 0.03 -0.57 0.00 0.00 0.00 0.00 54.91 53.94 1wix h ALA 24 Cb 1.29 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 1wix h ALA 24 CO 0.29 -1.88 0.01 0.45 0.00 0.00 0.00 179.25 178.11 1wix s SER 25 N -4.21 6.97 1.21 0.00 0.15 -1.26 -5.07 113.70 111.49 1wix s SER 25 Ca -0.06 1.16 -0.17 0.00 0.70 0.00 0.00 55.95 57.57 1wix s SER 25 Cb 0.29 -2.38 0.26 0.00 -1.71 0.00 0.00 66.02 62.48 1wix s SER 25 CO 0.86 0.05 0.93 -0.81 1.20 0.00 0.00 173.24 175.46 1wix n PRO 26 N 2.98 -2.82 -3.15 5.44 -0.04 -1.26 -4.82 135.00 131.33 1wix n PRO 26 Ca -0.06 -1.48 0.04 0.00 -0.04 0.00 0.00 63.50 61.97 1wix n PRO 26 Cb 0.51 -1.39 -0.01 0.00 -0.04 0.00 0.00 33.50 32.58 1wix n PRO 26 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wix n GLN 28 N 5.41 0.00 -2.25 0.00 1.13 -1.26 -4.91 117.38 115.50 1wix n GLN 28 Ca -0.00 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.92 1wix n GLN 28 Cb 0.53 0.00 0.05 0.00 0.11 0.00 0.00 30.24 30.93 1wix n GLN 28 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1wix n ASP 29 N -2.03 1.32 0.14 1.08 2.03 -1.26 -5.03 116.55 112.80 1wix n ASP 29 Ca 0.00 -1.99 -0.24 0.00 0.52 0.00 0.00 54.79 53.08 1wix n ASP 29 Cb 0.00 -0.33 -0.16 0.00 -0.72 0.00 0.00 41.12 39.91 1wix n ASP 29 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1wix h VAL 30 N -0.08 1.29 0.00 5.18 -1.51 -1.98 -3.16 116.25 115.99 1wix h VAL 30 Ca -0.20 -2.68 0.00 0.00 -1.23 0.00 0.00 66.70 62.60 1wix h VAL 30 Cb 0.85 3.05 0.00 0.00 -2.13 0.00 0.00 31.29 33.06 1wix h VAL 30 CO 0.26 0.80 0.00 0.29 -1.23 0.00 0.00 177.57 177.69 1wix n LYS 31 N -3.75 0.15 0.01 5.19 5.02 -1.26 -0.43 118.16 123.08 1wix n LYS 31 Ca -0.17 0.45 -0.03 0.00 -2.02 0.00 0.00 58.31 56.54 1wix n LYS 31 Cb 1.08 -1.83 -0.10 0.00 -0.02 0.00 0.00 35.03 34.16 1wix n LYS 31 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1wix h GLN 32 N 0.00 0.00 0.00 1.97 4.20 -1.96 -3.37 115.11 115.95 1wix h GLN 32 Ca 0.00 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.47 1wix h GLN 32 Cb 0.26 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 1wix h GLN 32 CO 0.00 0.38 -1.84 1.28 -0.67 0.00 0.00 178.83 177.98 1wix n LEU 33 N -2.96 0.50 -0.69 1.46 4.77 -0.82 -4.24 117.00 115.02 1wix n LEU 33 Ca -0.12 0.23 0.52 0.00 -0.03 0.00 0.00 56.01 56.61 1wix n LEU 33 Cb 0.92 0.22 0.80 0.00 -2.33 0.00 0.00 43.42 43.03 1wix n LEU 33 CO 0.44 0.29 1.45 0.35 -1.33 0.00 0.00 177.39 178.59 1wix n THR 34 N -2.81 -0.02 -0.21 -5.08 -2.24 0.42 0.45 114.28 104.79 1wix n THR 34 Ca -0.18 1.51 0.02 0.00 -2.27 0.00 0.00 64.05 63.13 1wix n THR 34 Cb 0.95 -2.51 0.12 0.00 -2.10 0.00 0.00 70.33 66.79 1wix n THR 34 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1wix h ASN 35 N 0.00 -0.14 0.00 3.42 4.21 -1.81 -3.45 115.58 117.81 1wix h ASN 35 Ca 0.93 0.14 0.00 0.00 1.21 0.00 0.00 56.30 58.58 1wix h ASN 35 Cb 3.67 0.22 0.00 0.00 -1.12 0.00 0.00 38.32 41.10 1wix h ASN 35 CO -0.05 -0.07 0.00 0.61 -1.29 0.00 0.00 177.43 176.63 1wix n GLY 36 N -1.35 1.95 0.41 2.83 0.00 0.17 -3.78 105.19 105.42 1wix n GLY 36 Ca 0.10 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 0.04 0.07 1.61 2.07 -1.85 0.17 116.25 118.36 1wix h VAL 37 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1wix h VAL 37 Cb 0.00 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 29.76 1wix h VAL 37 CO 0.00 0.00 -0.48 0.74 0.02 0.00 0.00 177.57 177.85 1wix h THR 38 N -0.18 0.00 -0.95 2.57 2.02 -1.86 0.01 112.91 114.51 1wix h THR 38 Ca 0.17 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.58 1wix h THR 38 Cb 0.54 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.83 1wix h THR 38 CO -0.77 0.00 0.51 0.24 0.37 0.00 0.00 175.52 175.87 1wix h MET 39 N -0.65 0.51 0.93 6.66 2.86 -1.66 -0.33 114.93 123.25 1wix h MET 39 Ca 0.00 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 1wix h MET 39 Cb 0.66 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 32.22 1wix h MET 39 CO -0.28 0.34 -0.45 0.00 1.06 0.00 0.00 176.91 177.58 1wix h ALA 40 N 1.71 -1.28 -0.53 6.32 0.00 0.46 -0.08 119.26 125.85 1wix h ALA 40 Ca 0.60 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 55.39 1wix h ALA 40 Cb 1.11 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1wix h ALA 40 CO -0.48 -1.19 0.45 1.96 0.00 0.00 0.00 179.25 179.99 1wix h GLN 41 N -1.31 0.00 0.03 0.00 4.20 -0.27 0.55 115.11 118.30 1wix h GLN 41 Ca -0.13 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.31 1wix h GLN 41 Cb 0.96 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.76 1wix h GLN 41 CO 0.21 0.00 -1.08 0.28 -0.67 0.00 0.00 178.83 177.57 1wix h VAL 42 N 0.00 1.30 -0.44 -0.54 2.07 -0.71 -3.24 116.25 114.68 1wix h VAL 42 Ca 0.25 -2.33 -0.01 0.00 0.82 0.00 0.00 66.70 65.44 1wix h VAL 42 Cb 1.14 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 33.35 1wix h VAL 42 CO -0.00 0.71 0.25 -0.07 0.02 0.00 0.00 177.57 178.48 1wix h LEU 43 N 0.35 0.53 -1.71 2.57 3.38 0.10 -1.24 115.31 119.30 1wix h LEU 43 Ca -0.14 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1wix h LEU 43 Cb 1.73 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 1wix h LEU 43 CO 0.21 0.42 -0.17 -0.74 0.09 0.00 0.00 178.44 178.25 1wix h HIS 44 N 0.61 0.00 0.00 1.13 2.76 -1.48 -1.87 115.15 116.30 1wix h HIS 44 Ca 0.16 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.20 1wix h HIS 44 Cb 0.00 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 1wix h HIS 44 CO 0.00 0.17 -0.60 1.96 -1.30 0.00 0.00 177.93 178.16 1wix h GLN 45 N 0.00 0.00 -0.12 5.26 4.20 -1.30 -3.28 115.11 119.87 1wix h GLN 45 Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1wix h GLN 45 Cb 0.32 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 1wix h GLN 45 CO 0.02 0.60 -0.03 0.82 -0.67 0.00 0.00 178.83 179.57 1wix h ILE 46 N 0.00 1.30 -2.07 2.54 2.04 -1.15 -3.45 117.51 116.72 1wix h ILE 46 Ca -0.01 -0.99 0.05 0.00 1.00 0.00 0.00 64.86 64.91 1wix h ILE 46 Cb 1.27 1.70 -0.21 0.00 -0.74 0.00 0.00 36.82 38.85 1wix h ILE 46 CO 0.08 0.29 -0.14 -0.62 0.00 0.00 0.00 178.15 177.75 1wix s ASP 47 N -5.84 -1.00 0.27 1.72 2.15 -1.13 -4.79 116.67 108.05 1wix s ASP 47 Ca -0.14 1.49 0.25 0.00 0.43 0.00 0.00 52.55 54.58 1wix s ASP 47 Cb 0.05 2.05 0.72 0.00 -0.30 0.00 0.00 42.92 45.44 1wix s ASP 47 CO 0.72 -0.22 1.74 -0.37 -0.17 0.00 0.00 175.17 176.86 1wix h VAL 48 N 5.89 0.00 -0.09 1.11 -1.51 -1.74 -0.30 116.25 119.61 1wix h VAL 48 Ca -0.20 -0.59 -0.15 0.00 -1.23 0.00 0.00 66.70 64.53 1wix h VAL 48 Cb 1.12 1.57 -0.01 0.00 -2.13 0.00 0.00 31.29 31.84 1wix h VAL 48 CO 0.11 0.00 -0.62 0.00 -1.23 0.00 0.00 177.57 175.83 1wix h ALA 49 N 2.37 0.78 0.00 5.19 0.00 -1.95 -3.11 119.26 122.55 1wix h ALA 49 Ca 0.00 -0.55 -0.12 0.00 0.00 0.00 0.00 54.91 54.24 1wix h ALA 49 Cb 0.77 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1wix h ALA 49 CO 0.00 0.73 -1.90 1.87 0.00 0.00 0.00 179.25 179.95 1wix n TRP 50 N -3.88 0.00 -3.67 0.00 -0.00 -1.21 -4.76 117.44 103.93 1wix n TRP 50 Ca -0.03 0.00 -0.28 0.00 -0.00 0.00 0.00 57.50 57.20 1wix n TRP 50 Cb 0.63 -0.55 -0.11 0.00 -0.00 0.00 0.00 31.31 31.29 1wix n TRP 50 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 177.69 177.63 1wix s PHE 51 N -2.85 2.43 0.30 5.87 0.40 -0.13 -5.00 117.98 119.00 1wix s PHE 51 Ca -0.07 -2.88 0.01 0.00 -0.60 0.00 0.00 56.93 53.39 1wix s PHE 51 Cb 0.08 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.70 1wix s PHE 51 CO 0.68 -0.67 0.48 0.45 0.70 0.00 0.00 175.22 176.86 1wix s SER 52 N -0.77 6.32 0.55 1.36 0.15 -1.17 -4.24 113.70 115.90 1wix s SER 52 Ca 0.29 0.38 0.47 0.00 0.70 0.00 0.00 55.95 57.79 1wix s SER 52 Cb -0.01 -2.00 1.70 0.00 -1.71 0.00 0.00 66.02 64.00 1wix s SER 52 CO -0.18 -0.20 1.63 -0.33 1.20 0.00 0.00 173.24 175.35 1wix h GLU 53 N 1.09 0.00 -0.69 5.44 5.08 -1.97 0.81 114.58 124.34 1wix h GLU 53 Ca -0.50 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 57.90 1wix h GLU 53 Cb 1.21 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 1wix h GLU 53 CO 0.63 0.00 0.43 0.66 -1.00 0.00 0.00 179.01 179.72 1wix h SER 54 N 0.00 0.69 0.22 1.42 4.64 -1.98 0.15 113.55 118.70 1wix h SER 54 Ca 0.85 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 62.17 1wix h SER 54 Cb 3.42 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 65.37 1wix h SER 54 CO -0.01 0.47 -0.10 -0.25 -0.87 0.00 0.00 176.83 176.07 1wix h TRP 55 N 0.83 -0.27 -0.02 4.77 7.01 0.28 -3.16 115.95 125.38 1wix h TRP 55 Ca 0.28 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.28 1wix h TRP 55 Cb 0.05 0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 27.19 1wix h TRP 55 CO -0.05 0.10 0.18 1.25 -2.79 0.00 0.00 178.44 177.13 1wix h LEU 56 N -0.92 0.00 -0.12 0.65 5.85 -1.44 0.16 115.31 119.50 1wix h LEU 56 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1wix h LEU 56 Cb 0.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1wix h LEU 56 CO 0.05 0.00 0.00 -0.24 -0.34 0.00 0.00 178.44 177.91 1wix n SER 57 N -3.08 0.09 0.01 1.25 2.88 0.53 -1.39 113.62 113.91 1wix n SER 57 Ca -0.02 0.53 0.11 0.00 -1.33 0.00 0.00 58.87 58.16 1wix n SER 57 Cb 0.24 -0.54 0.11 0.00 -0.75 0.00 0.00 64.21 63.27 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 -1.60 0.06 -3.23 -1.46 5.12 0.56 -4.90 116.66 111.21 1wix n ARG 58 Ca 0.02 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.58 1wix n ARG 58 Cb 0.14 -1.52 -0.06 0.00 -1.16 0.00 0.00 32.46 29.86 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 -3.04 4.69 0.08 0.55 -1.09 -0.48 -4.89 121.20 117.02 1wix s ILE 59 Ca 0.09 1.17 0.10 0.00 -2.23 0.00 0.00 60.65 59.77 1wix s ILE 59 Cb 0.16 -3.86 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 1wix s ILE 59 CO 0.76 0.37 -0.26 -0.54 -1.23 0.00 0.00 174.94 174.05 1wix s LYS 60 N -1.58 1.57 0.00 2.79 1.02 -1.26 -5.02 119.74 117.26 1wix s LYS 60 Ca 0.36 -1.18 0.17 0.00 0.02 0.00 0.00 55.97 55.34 1wix s LYS 60 Cb -0.18 -1.86 -0.10 0.00 -0.52 0.00 0.00 37.83 35.18 1wix s LYS 60 CO 0.20 0.46 0.79 -3.47 -0.92 0.00 0.00 175.35 172.41 1wix n ASP 61 N 1.44 1.21 0.20 2.83 2.03 -1.26 -4.38 116.55 118.61 1wix n ASP 61 Ca -0.17 -1.10 0.12 0.00 0.52 0.00 0.00 54.79 54.16 1wix n ASP 61 Cb 0.53 0.75 0.66 0.00 -0.72 0.00 0.00 41.12 42.34 1wix n ASP 61 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1wix h ASP 62 N 0.89 0.00 -1.15 1.67 3.58 -1.95 -2.95 116.42 116.51 1wix h ASP 62 Ca 0.00 0.00 0.33 0.00 0.42 0.00 0.00 57.03 57.78 1wix h ASP 62 Cb 0.48 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.48 1wix h ASP 62 CO 0.00 0.00 1.17 1.33 -2.88 0.00 0.00 179.24 178.86 1wix n VAL 63 N -2.38 0.00 -0.22 2.25 0.24 -1.26 -1.94 118.33 115.02 1wix n VAL 63 Ca -0.02 1.20 -0.01 0.00 -2.04 0.00 0.00 64.34 63.48 1wix n VAL 63 Cb 0.11 -2.12 0.01 0.00 -1.47 0.00 0.00 33.84 30.37 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 -1.69 -1.19 0.21 7.63 0.00 -1.12 0.58 105.19 109.62 1wix n GLY 64 Ca 0.26 0.63 0.08 0.00 0.00 0.00 0.00 46.02 46.98 1wix n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wix n ASP 65 N -4.80 1.24 -4.38 1.61 2.03 -0.82 -4.93 116.55 106.50 1wix n ASP 65 Ca 0.05 -1.12 -0.34 0.00 0.52 0.00 0.00 54.79 53.91 1wix n ASP 65 Cb 0.21 0.69 -0.14 0.00 -0.72 0.00 0.00 41.12 41.16 1wix n ASP 65 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1wix s ASN 66 N -2.11 4.24 -0.07 1.67 0.01 0.20 -4.99 114.94 113.90 1wix s ASN 66 Ca 0.10 -0.31 0.16 0.00 -0.71 0.00 0.00 52.86 52.10 1wix s ASN 66 Cb 0.12 -1.68 -0.22 0.00 0.41 0.00 0.00 41.25 39.88 1wix s ASN 66 CO 0.49 0.12 0.51 -2.67 -1.51 0.00 0.00 177.10 174.04 1wix n TRP 67 N 3.86 0.63 -0.01 2.20 4.27 -1.26 -4.15 117.44 122.98 1wix n TRP 67 Ca -0.18 0.22 -0.03 0.00 -3.89 0.00 0.00 57.50 53.62 1wix n TRP 67 Cb 0.52 -1.06 0.20 0.00 -1.36 0.00 0.00 31.31 29.61 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 0.54 -0.02 -2.67 2.47 -1.94 -2.62 114.38 110.15 1wix h ARG 68 Ca -0.32 -0.19 -0.05 0.00 -1.26 0.00 0.00 59.98 58.16 1wix h ARG 68 Cb 1.92 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 30.19 1wix h ARG 68 CO 0.05 0.71 -0.23 0.82 0.56 0.00 0.00 179.97 181.88 1wix h ILE 69 N 0.49 1.18 0.64 2.04 2.04 -1.94 -3.12 117.51 118.83 1wix h ILE 69 Ca 0.08 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 1wix h ILE 69 Cb 0.60 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 1wix h ILE 69 CO 0.04 0.24 -0.48 0.11 0.00 0.00 0.00 178.15 178.06 1wix h LYS 70 N 0.03 -1.05 -0.37 2.37 1.57 -1.63 -2.91 116.57 114.58 1wix h LYS 70 Ca 0.00 0.07 0.08 0.00 -1.87 0.00 0.00 60.65 58.93 1wix h LYS 70 Cb 0.42 0.24 -0.09 0.00 0.08 0.00 0.00 32.23 32.88 1wix h LYS 70 CO 0.03 -0.70 -0.30 0.00 -0.57 0.00 0.00 179.45 177.91 1wix h ALA 71 N -0.95 -0.14 -0.99 3.86 0.00 -1.62 0.09 119.26 119.50 1wix h ALA 71 Ca -0.08 0.10 0.35 0.00 0.00 0.00 0.00 54.91 55.29 1wix h ALA 71 Cb 0.90 0.65 -0.17 0.00 0.00 0.00 0.00 17.79 19.17 1wix h ALA 71 CO 0.02 -0.70 0.39 0.77 0.00 0.00 0.00 179.25 179.73 1wix h SER 72 N -0.24 0.12 0.28 0.00 0.02 -1.49 -0.65 113.55 111.59 1wix h SER 72 Ca 0.17 0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 61.36 1wix h SER 72 Cb 0.52 0.31 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1wix h SER 72 CO -0.51 -0.35 -0.14 0.78 -1.14 0.00 0.00 176.83 175.47 1wix h ASN 73 N 0.07 -0.32 -0.89 3.07 2.35 -0.84 -3.26 115.58 115.76 1wix h ASN 73 Ca 0.75 -0.01 0.31 0.00 -0.55 0.00 0.00 56.30 56.80 1wix h ASN 73 Cb 1.82 0.08 -0.16 0.00 0.05 0.00 0.00 38.32 40.11 1wix h ASN 73 CO -0.78 0.13 0.25 0.18 -1.65 0.00 0.00 177.43 175.57 1wix n LEU 74 N -5.03 0.11 0.32 1.61 4.77 -0.40 0.04 117.00 118.42 1wix n LEU 74 Ca -0.05 1.49 -0.18 0.00 -0.03 0.00 0.00 56.01 57.24 1wix n LEU 74 Cb 0.16 -0.63 -0.10 0.00 -2.33 0.00 0.00 43.42 40.52 1wix n LEU 74 CO 0.12 -1.59 0.55 0.11 -1.33 0.00 0.00 177.39 175.25 1wix h LYS 75 N 0.00 -0.98 -0.89 3.23 6.56 -1.26 0.70 116.57 123.93 1wix h LYS 75 Ca 0.65 0.07 0.10 0.00 -1.06 0.00 0.00 60.65 60.41 1wix h LYS 75 Cb 1.56 0.22 -0.08 0.00 -0.57 0.00 0.00 32.23 33.37 1wix h LYS 75 CO -0.76 -0.66 0.53 0.87 -2.06 0.00 0.00 179.45 177.38 1wix h LYS 76 N -1.02 0.84 -0.74 3.15 1.57 -0.43 0.16 116.57 120.10 1wix h LYS 76 Ca -0.07 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1wix h LYS 76 Cb 0.87 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 1wix h LYS 76 CO -0.02 0.56 0.45 0.28 -0.57 0.00 0.00 179.45 180.14 1wix h VAL 77 N 0.87 1.21 0.49 0.50 2.07 -0.73 0.39 116.25 121.05 1wix h VAL 77 Ca 0.43 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1wix h VAL 77 Cb 0.40 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1wix h VAL 77 CO -0.25 0.22 -0.23 0.25 0.02 0.00 0.00 177.57 177.57 1wix h LEU 78 N 1.01 -0.55 -1.32 2.57 6.46 0.25 -3.12 115.31 120.61 1wix h LEU 78 Ca 0.27 0.02 0.11 0.00 -0.12 0.00 0.00 57.88 58.16 1wix h LEU 78 Cb -0.03 0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 39.98 1wix h LEU 78 CO -0.05 -0.21 0.54 -0.74 -0.62 0.00 0.00 178.44 177.36 1wix h HIS 79 N -1.02 0.80 -0.09 1.25 2.76 -1.03 0.49 115.15 118.30 1wix h HIS 79 Ca -0.07 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.15 1wix h HIS 79 Cb 0.50 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 1wix h HIS 79 CO 0.02 0.35 0.11 0.78 -1.30 0.00 0.00 177.93 177.89 1wix h GLY 80 N 0.72 0.00 0.18 5.26 0.00 -0.23 -1.58 103.07 107.42 1wix h GLY 80 Ca 0.39 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.40 1wix h GLY 80 CO -0.16 0.00 -1.82 1.39 0.00 0.00 0.00 176.54 175.95 1wix n ILE 81 N -3.82 1.61 -0.06 2.60 5.41 0.07 -4.04 119.36 121.13 1wix n ILE 81 Ca -0.01 -0.33 -0.07 0.00 1.00 0.00 0.00 62.75 63.34 1wix n ILE 81 Cb 0.21 -1.86 -0.01 0.00 -0.71 0.00 0.00 39.64 37.27 1wix n ILE 81 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1wix h THR 82 N -0.58 0.60 -0.53 1.39 1.35 -1.03 -0.06 112.91 114.05 1wix h THR 82 Ca -0.45 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 65.54 1wix h THR 82 Cb 1.63 0.60 -0.03 0.00 -1.73 0.00 0.00 68.15 68.63 1wix h THR 82 CO -0.15 0.00 0.37 0.28 -0.25 0.00 0.00 175.52 175.78 1wix h SER 83 N -0.09 0.09 0.94 5.36 0.02 -1.51 0.47 113.55 118.83 1wix h SER 83 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1wix h SER 83 Cb 0.30 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1wix h SER 83 CO -0.32 0.05 0.00 0.00 -1.14 0.00 0.00 176.83 175.42 1wix n TYR 84 N -4.41 0.88 -0.07 3.45 9.36 -0.06 0.53 117.16 126.85 1wix n TYR 84 Ca 0.09 0.32 -0.10 0.00 3.32 0.00 0.00 57.90 61.54 1wix n TYR 84 Cb 0.53 -1.02 -0.15 0.00 -0.63 0.00 0.00 39.34 38.07 1wix n TYR 84 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1wix n TYR 85 N -2.28 0.45 -0.03 2.98 4.01 0.16 -1.98 117.16 120.46 1wix n TYR 85 Ca 0.03 0.16 -0.06 0.00 -0.16 0.00 0.00 57.90 57.87 1wix n TYR 85 Cb 0.28 -1.08 -0.13 0.00 -0.31 0.00 0.00 39.34 38.10 1wix n TYR 85 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1wix n HIS 86 N -2.91 0.64 -0.00 -0.72 8.25 -0.69 0.26 115.22 120.05 1wix n HIS 86 Ca -0.27 0.23 -0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1wix n HIS 86 Cb 1.11 -1.07 -0.00 0.00 1.12 0.00 0.00 29.99 31.14 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 -2.88 0.01 0.01 -0.41 1.02 0.19 -3.66 120.64 114.91 1wix n GLU 87 Ca -0.19 0.13 -0.01 0.00 -0.02 0.00 0.00 57.16 57.07 1wix n GLU 87 Cb 1.01 -0.64 -0.00 0.00 -0.02 0.00 0.00 31.44 31.79 1wix n GLU 87 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1wix h PHE 88 N -0.01 -0.05 0.42 -0.32 3.57 -1.58 -3.33 116.94 115.64 1wix h PHE 88 Ca 0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1wix h PHE 88 Cb 0.01 0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1wix h PHE 88 CO -0.00 -0.02 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.78 1wix h LEU 89 N -0.03 -0.48 0.00 0.59 3.38 -1.53 -3.49 115.31 113.75 1wix h LEU 89 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wix h LEU 89 Cb 0.03 0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1wix h LEU 89 CO -0.01 -0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.08 1wix n GLY 90 N 0.31 1.41 3.95 0.83 0.00 0.26 -4.96 105.19 106.99 1wix n GLY 90 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 1wix n GLY 90 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wix s GLN 91 N 0.00 2.08 0.21 1.61 -2.07 0.72 -4.66 119.66 117.56 1wix s GLN 91 Ca 0.00 -0.47 0.02 0.00 -1.82 0.00 0.00 55.36 53.09 1wix s GLN 91 Cb 0.00 -2.22 0.02 0.00 -1.09 0.00 0.00 33.01 29.72 1wix s GLN 91 CO 0.00 -1.26 0.16 0.00 -1.32 0.00 0.00 175.29 172.87 1wix n GLN 92 N -2.87 1.17 -4.71 9.60 10.64 -1.25 -1.71 117.38 128.26 1wix n GLN 92 Ca 0.09 -1.32 -0.24 0.00 -1.83 0.00 0.00 57.00 53.70 1wix n GLN 92 Cb 0.60 0.14 -0.16 0.00 -0.86 0.00 0.00 30.24 29.97 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 -1.04 1.23 0.29 -0.39 1.01 -1.26 -4.50 121.20 116.55 1wix s ILE 93 Ca 0.12 -0.63 -0.18 0.00 0.00 0.00 0.00 60.65 59.96 1wix s ILE 93 Cb -0.01 -1.04 -0.09 0.00 0.01 0.00 0.00 42.46 41.33 1wix s ILE 93 CO 0.08 0.35 0.76 -0.44 0.00 0.00 0.00 174.94 175.69 1wix s SER 94 N -0.13 6.93 0.39 3.58 0.01 -1.16 -4.92 113.70 118.41 1wix s SER 94 Ca 0.01 1.40 0.17 0.00 1.31 0.00 0.00 55.95 58.84 1wix s SER 94 Cb -0.08 -2.42 0.92 0.00 0.21 0.00 0.00 66.02 64.64 1wix s SER 94 CO 0.01 -0.12 1.44 -0.33 0.41 0.00 0.00 173.24 174.64 1wix h GLU 95 N 2.71 0.00 0.00 12.44 5.08 -1.95 0.37 114.58 133.23 1wix h GLU 95 Ca -0.48 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.78 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 0.65 0.00 -0.46 0.93 -1.00 0.00 0.00 179.01 179.13 1wix h GLU 96 N 0.00 0.00 0.01 2.33 4.39 -1.96 -3.16 114.58 116.19 1wix h GLU 96 Ca 0.00 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.37 1wix h GLU 96 Cb 0.59 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.18 1wix h GLU 96 CO 0.00 0.46 -1.98 1.28 -1.16 0.00 0.00 179.01 177.61 1wix n LEU 97 N -3.83 0.93 -4.45 1.33 4.77 0.13 -4.89 117.00 110.99 1wix n LEU 97 Ca -0.01 0.24 -0.46 0.00 -0.03 0.00 0.00 56.01 55.75 1wix n LEU 97 Cb 0.51 0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.55 1wix n LEU 97 CO 0.39 0.50 2.02 -0.38 -1.33 0.00 0.00 177.39 178.59 1wix n ILE 98 N -3.02 0.02 -2.11 -0.08 2.08 -1.03 -4.59 119.36 110.62 1wix n ILE 98 Ca -0.25 -0.18 -0.43 0.00 0.56 0.00 0.00 62.75 62.46 1wix n ILE 98 Cb 1.08 -1.08 -0.03 0.00 -0.75 0.00 0.00 39.64 38.86 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 7.76 3.70 -0.84 0.38 0.04 -1.26 -4.92 135.00 139.86 1wix s PRO 99 Ca 1.22 1.57 -0.25 0.00 0.04 0.00 0.00 61.00 63.58 1wix s PRO 99 Cb -1.06 -4.06 -0.06 0.00 0.04 0.00 0.00 34.50 29.36 1wix s PRO 99 CO 0.49 -1.41 2.03 -0.51 0.04 0.00 0.00 177.00 177.63 1wix s ASP 100 N 4.55 4.91 0.14 6.66 1.11 -1.26 -4.79 116.67 127.99 1wix s ASP 100 Ca 0.72 -0.40 -0.16 0.00 0.18 0.00 0.00 52.55 52.90 1wix s ASP 100 Cb -0.24 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.20 1wix s ASP 100 CO 0.30 -2.91 1.70 -0.07 1.18 0.00 0.00 175.17 175.37 1wix h LEU 101 N 18.60 0.56 -1.22 1.23 3.38 -1.94 -1.97 115.31 133.96 1wix h LEU 101 Ca 0.03 -0.15 0.22 0.00 0.09 0.00 0.00 57.88 58.07 1wix h LEU 101 Cb 1.03 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.54 1wix h LEU 101 CO 1.17 0.56 0.62 0.78 0.09 0.00 0.00 178.44 181.67 1wix h ASN 102 N 0.53 0.60 0.78 -0.43 2.35 -1.99 0.95 115.58 118.38 1wix h ASN 102 Ca 0.14 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1wix h ASN 102 Cb 0.16 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1wix h ASN 102 CO -0.01 0.19 -0.27 0.00 -1.65 0.00 0.00 177.43 175.69 1wix n GLN 103 N -4.67 0.03 -0.02 0.81 3.00 -0.99 -1.90 117.38 113.63 1wix n GLN 103 Ca 0.23 0.01 0.01 0.00 -0.01 0.00 0.00 57.00 57.25 1wix n GLN 103 Cb 0.69 -1.52 -0.14 0.00 0.00 0.00 0.00 30.24 29.27 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 -1.57 0.79 -0.07 5.09 5.41 0.27 0.15 119.36 129.43 1wix n ILE 104 Ca 0.06 -0.67 -0.12 0.00 1.00 0.00 0.00 62.75 63.02 1wix n ILE 104 Cb 0.35 -0.35 -0.14 0.00 -0.71 0.00 0.00 39.64 38.78 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 -2.60 1.53 -0.07 1.39 -1.04 0.20 -2.62 114.28 111.07 1wix n THR 105 Ca -0.15 -0.77 -0.14 0.00 -2.04 0.00 0.00 64.05 60.95 1wix n THR 105 Cb 0.83 -0.96 -0.14 0.00 -1.82 0.00 0.00 70.33 68.24 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 -3.02 0.68 -0.08 -2.82 1.02 -0.80 -4.67 120.64 110.95 1wix n GLU 106 Ca -0.30 0.16 -0.14 0.00 -0.02 0.00 0.00 57.16 56.86 1wix n GLU 106 Cb 1.08 -1.62 -0.07 0.00 -0.02 0.00 0.00 31.44 30.81 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 -3.25 -0.13 -1.66 0.00 0.00 0.39 -4.91 120.51 110.94 1wix n ALA 108 Ca -0.31 0.07 -0.41 0.00 0.00 0.00 0.00 53.44 52.79 1wix n ALA 108 Cb 0.79 -0.97 0.01 0.00 0.00 0.00 0.00 19.45 19.28 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 0.95 2.02 -0.03 0.00 2.03 -0.96 -4.60 116.55 115.97 1wix n ASP 109 Ca -0.07 1.09 -0.13 0.00 0.52 0.00 0.00 54.79 56.21 1wix n ASP 109 Cb 0.38 -1.43 -0.09 0.00 -0.72 0.00 0.00 41.12 39.25 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 1.90 0.12 -0.86 -0.67 0.13 -1.93 -1.04 132.00 129.65 1wix h PRO 110 Ca -0.46 -0.06 0.20 0.00 -0.87 0.00 0.00 66.00 64.81 1wix h PRO 110 Cb 1.31 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.32 1wix h PRO 110 CO 0.59 0.57 0.34 -0.24 -0.23 0.00 0.00 178.00 179.03 1wix h VAL 111 N -0.32 0.49 0.01 1.56 3.04 -1.96 -1.00 116.25 118.07 1wix h VAL 111 Ca 0.01 -0.13 -0.00 0.00 -1.01 0.00 0.00 66.70 65.57 1wix h VAL 111 Cb 0.55 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 29.91 1wix h VAL 111 CO 0.01 0.07 -0.01 -0.33 -1.01 0.00 0.00 177.57 176.31 1wix h GLU 112 N 0.38 -0.02 -0.96 4.17 4.39 -1.93 -3.27 114.58 117.35 1wix h GLU 112 Ca 0.52 0.00 0.30 0.00 0.34 0.00 0.00 59.36 60.52 1wix h GLU 112 Cb 0.96 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.45 1wix h GLU 112 CO -0.52 0.77 0.33 1.25 -1.16 0.00 0.00 179.01 179.68 1wix h LEU 113 N -0.85 0.09 -1.14 1.33 7.12 -0.49 0.84 115.31 122.21 1wix h LEU 113 Ca -0.00 0.23 -0.05 0.00 0.13 0.00 0.00 57.88 58.19 1wix h LEU 113 Cb 0.79 0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 41.18 1wix h LEU 113 CO 0.00 -0.25 0.08 1.23 -0.13 0.00 0.00 178.44 179.37 1wix h GLY 114 N 0.15 0.74 -0.35 3.75 0.00 -1.29 -2.91 103.07 103.16 1wix h GLY 114 Ca 0.67 -0.42 0.20 0.00 0.00 0.00 0.00 47.33 47.78 1wix h GLY 114 CO -0.72 0.40 0.16 3.21 0.00 0.00 0.00 176.54 179.58 1wix h ARG 115 N 0.67 0.19 -0.07 4.80 2.47 0.67 0.28 114.38 123.38 1wix h ARG 115 Ca 0.15 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.84 1wix h ARG 115 Cb 0.29 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1wix h ARG 115 CO 0.00 0.12 -0.01 1.25 0.56 0.00 0.00 179.97 181.89 1wix h LEU 116 N 0.19 0.14 -2.12 3.04 5.85 -1.53 -2.75 115.31 118.14 1wix h LEU 116 Ca 0.49 -0.35 0.08 0.00 0.84 0.00 0.00 57.88 58.93 1wix h LEU 116 Cb 0.92 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1wix h LEU 116 CO -0.63 0.46 0.30 -0.07 -0.34 0.00 0.00 178.44 178.16 1wix h LEU 117 N -0.19 0.00 -0.05 2.25 3.38 -1.05 -0.65 115.31 119.01 1wix h LEU 117 Ca 0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1wix h LEU 117 Cb 0.39 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.15 1wix h LEU 117 CO 0.01 0.00 -0.52 -0.61 0.09 0.00 0.00 178.44 177.41 1wix h GLN 118 N 0.00 0.43 -0.85 1.13 4.15 -0.74 -2.93 115.11 116.30 1wix h GLN 118 Ca 0.13 -0.40 -0.03 0.00 0.77 0.00 0.00 58.65 59.12 1wix h GLN 118 Cb 0.74 0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.49 1wix h GLN 118 CO -0.00 1.05 0.43 -0.07 -1.93 0.00 0.00 178.83 178.31 1wix h LEU 119 N -0.04 1.09 -0.26 -2.39 -0.00 -0.93 -1.10 115.31 111.67 1wix h LEU 119 Ca -0.05 -0.12 -0.00 0.00 -0.00 0.00 0.00 57.88 57.70 1wix h LEU 119 Cb 1.20 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 41.56 1wix h LEU 119 CO 0.10 0.90 0.15 0.40 -0.00 0.00 0.00 178.44 180.00 1wix h ILE 120 N 1.20 1.10 0.00 1.22 2.04 -1.45 -2.33 117.51 119.29 1wix h ILE 120 Ca 0.29 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 1wix h ILE 120 Cb 0.08 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1wix h ILE 120 CO -0.04 0.10 -0.28 0.25 0.00 0.00 0.00 178.15 178.18 1wix h LEU 121 N 0.32 0.00 -1.70 1.44 5.85 -1.31 -2.69 115.31 117.22 1wix h LEU 121 Ca 0.09 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1wix h LEU 121 Cb 0.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1wix h LEU 121 CO -0.02 0.28 0.12 1.23 -0.34 0.00 0.00 178.44 179.71 1wix h GLY 122 N 1.08 0.33 1.34 3.75 0.00 -0.63 -1.02 103.07 107.92 1wix h GLY 122 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1wix h GLY 122 CO 0.04 0.13 -0.45 0.00 0.00 0.00 0.00 176.54 176.26 1wix n ALA 124 N -1.73 2.95 0.14 0.00 0.00 -0.41 -3.66 120.51 117.80 1wix n ALA 124 Ca 0.04 -0.37 0.02 0.00 0.00 0.00 0.00 53.44 53.13 1wix n ALA 124 Cb 0.41 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.65 0.00 -1.83 0.00 0.24 -1.03 -4.14 118.33 110.92 1wix n VAL 125 Ca 0.13 -0.48 0.05 0.00 -2.04 0.00 0.00 64.34 62.00 1wix n VAL 125 Cb 0.33 1.04 0.16 0.00 -1.47 0.00 0.00 33.84 33.90 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 -0.26 1.65 -4.25 -1.34 3.02 -1.21 -4.94 115.26 107.93 1wix n ASN 126 Ca 0.01 -3.45 -0.28 0.00 -0.03 0.00 0.00 54.58 50.83 1wix n ASN 126 Cb 0.07 -0.47 -0.06 0.00 -0.61 0.00 0.00 39.78 38.71 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 0.31 0.00 0.00 4.11 -1.92 -3.03 114.58 114.05 1wix h GLU 128 Ca -0.36 -0.19 0.00 0.00 0.07 0.00 0.00 59.36 58.88 1wix h GLU 128 Cb 1.14 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1wix h GLU 128 CO 0.59 0.78 0.00 1.63 0.07 0.00 0.00 179.01 182.08 1wix n LYS 129 N -4.54 0.46 -0.24 1.06 5.02 -1.26 -4.16 118.16 114.50 1wix n LYS 129 Ca -0.07 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.26 1wix n LYS 129 Cb 0.40 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 34.00 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 -1.26 -0.06 -0.14 1.97 2.85 -1.15 0.18 118.16 120.54 1wix n LYS 130 Ca 0.15 1.04 -0.04 0.00 -1.05 0.00 0.00 58.31 58.41 1wix n LYS 130 Cb 0.23 -1.55 0.03 0.00 -0.65 0.00 0.00 35.03 33.09 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 -0.00 -0.40 -1.58 1.08 -1.82 0.39 115.11 112.79 1wix h GLN 131 Ca 0.32 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.63 1wix h GLN 131 Cb 0.48 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 1wix h GLN 131 CO -0.68 -0.00 0.56 1.49 -0.95 0.00 0.00 178.83 179.24 1wix h GLU 132 N -0.00 0.00 0.02 1.46 4.57 0.15 -1.17 114.58 119.62 1wix h GLU 132 Ca 0.22 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 58.05 1wix h GLU 132 Cb 0.34 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.88 1wix h GLU 132 CO -0.47 0.00 -1.92 0.72 -1.18 0.00 0.00 179.01 176.15 1wix n HIS 133 N -3.42 0.65 -0.39 0.92 8.25 0.11 -4.28 115.22 117.06 1wix n HIS 133 Ca 0.07 0.23 0.36 0.00 -0.26 0.00 0.00 57.72 58.12 1wix n HIS 133 Cb 0.72 -1.07 0.63 0.00 1.12 0.00 0.00 29.99 31.38 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 -0.67 0.00 -0.53 1.59 5.03 0.60 1.79 117.51 125.32 1wix h ILE 134 Ca -0.50 -0.00 -0.08 0.00 -0.12 0.00 0.00 64.86 64.16 1wix h ILE 134 Cb 1.61 -0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 35.38 1wix h ILE 134 CO -0.20 0.00 -0.01 0.07 -0.68 0.00 0.00 178.15 177.33 1wix h LYS 135 N 0.00 0.90 -0.72 2.37 2.10 -1.69 -2.69 116.57 116.84 1wix h LYS 135 Ca 0.87 -0.26 0.08 0.00 -2.00 0.00 0.00 60.65 59.33 1wix h LYS 135 Cb 2.51 -0.09 -0.05 0.00 -0.90 0.00 0.00 32.23 33.71 1wix h LYS 135 CO -0.64 0.90 0.47 -0.97 -2.00 0.00 0.00 179.45 177.21 1wix h ASN 136 N 0.83 0.60 -0.43 7.07 -1.24 0.26 -1.37 115.58 121.31 1wix h ASN 136 Ca 0.15 0.01 -0.14 0.00 0.71 0.00 0.00 56.30 57.04 1wix h ASN 136 Cb 0.51 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.43 1wix h ASN 136 CO 0.03 0.37 -0.27 0.40 -1.29 0.00 0.00 177.43 176.67 1wix h ILE 137 N 0.68 1.27 -0.58 2.57 5.03 -1.28 -3.01 117.51 122.19 1wix h ILE 137 Ca 0.32 -1.43 -0.03 0.00 -0.12 0.00 0.00 64.86 63.60 1wix h ILE 137 Cb 0.37 1.21 -0.03 0.00 -3.03 0.00 0.00 36.82 35.34 1wix h ILE 137 CO -0.11 0.49 0.24 0.24 -0.68 0.00 0.00 178.15 178.33 1wix h MET 138 N 0.81 0.84 0.00 2.37 2.86 -1.16 -0.92 114.93 119.73 1wix h MET 138 Ca 0.09 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1wix h MET 138 Cb 0.84 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1wix h MET 138 CO 0.07 0.68 0.00 -2.37 1.06 0.00 0.00 176.91 176.35 1wix n THR 139 N -4.33 0.12 -2.33 2.22 5.66 -0.87 -4.76 114.28 109.98 1wix n THR 139 Ca 0.05 0.03 -0.25 0.00 -3.05 0.00 0.00 64.05 60.83 1wix n THR 139 Cb 0.16 -0.75 0.07 0.00 -1.55 0.00 0.00 70.33 68.25 1wix n THR 139 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1wix s LEU 140 N -2.13 2.94 0.80 1.09 1.43 -0.35 -5.06 118.68 117.40 1wix s LEU 140 Ca 0.24 0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 53.50 1wix s LEU 140 Cb 0.12 -2.95 0.08 0.00 0.03 0.00 0.00 46.19 43.47 1wix s LEU 140 CO 0.22 -1.53 1.14 -0.70 0.23 0.00 0.00 176.35 175.71 1wix s GLU 141 N -5.13 1.83 0.13 1.70 2.12 -1.26 -4.73 118.70 113.36 1wix s GLU 141 Ca 0.60 1.47 -0.21 0.00 0.36 0.00 0.00 54.97 57.19 1wix s GLU 141 Cb -0.10 -1.83 -0.03 0.00 0.26 0.00 0.00 34.13 32.44 1wix s GLU 141 CO 0.43 -2.01 1.68 1.49 -0.54 0.00 0.00 175.26 176.32 1wix h GLU 142 N -1.07 -0.12 0.63 4.30 4.81 -1.96 0.28 114.58 121.45 1wix h GLU 142 Ca -0.45 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 1wix h GLU 142 Cb 1.26 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 1wix h GLU 142 CO 0.48 -0.08 -0.43 1.03 -0.73 0.00 0.00 179.01 179.27 1wix h SER 143 N -0.12 -1.12 -0.69 1.04 0.87 -2.01 -2.33 113.55 109.19 1wix h SER 143 Ca 0.09 0.07 0.13 0.00 -1.23 0.00 0.00 61.79 60.85 1wix h SER 143 Cb 0.26 0.34 -0.09 0.00 -0.44 0.00 0.00 62.40 62.46 1wix h SER 143 CO -0.22 -0.64 0.23 1.62 -0.53 0.00 0.00 176.83 177.29 1wix h VAL 144 N -1.01 0.66 -0.96 2.23 3.04 -1.90 -0.21 116.25 118.09 1wix h VAL 144 Ca -0.08 -0.13 0.18 0.00 -1.01 0.00 0.00 66.70 65.66 1wix h VAL 144 Cb 0.82 0.25 -0.11 0.00 -2.01 0.00 0.00 31.29 30.25 1wix h VAL 144 CO 0.06 0.07 0.56 1.56 -1.01 0.00 0.00 177.57 178.80 1wix h GLN 145 N 0.37 0.68 0.68 4.17 4.20 -0.23 0.28 115.11 125.26 1wix h GLN 145 Ca 0.37 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 59.01 1wix h GLN 145 Cb 0.55 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 28.18 1wix h GLN 145 CO -0.40 0.45 -0.33 1.25 -0.67 0.00 0.00 178.83 179.13 1wix h HIS 146 N 0.70 -0.85 -0.69 2.96 -0.00 -0.48 0.12 115.15 116.91 1wix h HIS 146 Ca 0.56 -0.02 0.08 0.00 -0.00 0.00 0.00 60.37 60.99 1wix h HIS 146 Cb 0.87 0.28 -0.07 0.00 -0.00 0.00 0.00 27.41 28.49 1wix h HIS 146 CO -0.03 -0.53 0.35 0.28 -0.00 0.00 0.00 177.93 177.99 1wix h VAL 147 N -0.94 0.87 -0.96 5.26 2.07 -1.27 0.28 116.25 121.56 1wix h VAL 147 Ca -0.09 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.25 1wix h VAL 147 Cb 0.70 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 1wix h VAL 147 CO 0.15 0.11 0.63 0.58 0.02 0.00 0.00 177.57 179.06 1wix h VAL 148 N 0.61 1.17 -0.09 2.57 2.07 -0.41 -1.04 116.25 121.12 1wix h VAL 148 Ca 0.33 -0.42 -0.20 0.00 0.82 0.00 0.00 66.70 67.24 1wix h VAL 148 Cb 0.32 -0.16 0.01 0.00 -1.52 0.00 0.00 31.29 29.95 1wix h VAL 148 CO -0.25 0.22 -0.72 0.24 0.02 0.00 0.00 177.57 177.08 1wix h MET 149 N 1.22 0.64 -0.86 1.57 2.86 0.12 -3.26 114.93 117.22 1wix h MET 149 Ca 0.38 -0.57 0.05 0.00 -2.06 0.00 0.00 59.70 57.50 1wix h MET 149 Cb -0.00 0.13 -0.06 0.00 0.06 0.00 0.00 31.60 31.73 1wix h MET 149 CO -0.12 1.19 0.54 1.15 1.06 0.00 0.00 176.91 180.73 1wix h THR 150 N 0.30 1.09 -0.79 2.22 2.02 -0.10 -2.40 112.91 115.24 1wix h THR 150 Ca -0.06 -0.35 0.19 0.00 0.77 0.00 0.00 66.41 66.95 1wix h THR 150 Cb 1.37 -0.02 -0.14 0.00 -1.74 0.00 0.00 68.15 67.62 1wix h THR 150 CO 0.15 0.19 0.06 0.00 0.37 0.00 0.00 175.52 176.28 1wix h ALA 151 N 1.38 0.91 -0.00 6.16 0.00 -1.24 -0.14 119.26 126.33 1wix h ALA 151 Ca 0.36 0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.53 1wix h ALA 151 Cb 0.09 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1wix h ALA 151 CO -0.15 -0.43 -0.14 0.82 0.00 0.00 0.00 179.25 179.35 1wix h ILE 152 N 0.13 0.65 -0.64 0.00 5.03 -1.56 0.20 117.51 121.32 1wix h ILE 152 Ca 0.45 0.00 0.11 0.00 -0.12 0.00 0.00 64.86 65.30 1wix h ILE 152 Cb 0.82 0.65 -0.08 0.00 -3.03 0.00 0.00 36.82 35.18 1wix h ILE 152 CO -0.67 0.00 0.22 1.56 -0.68 0.00 0.00 178.15 178.58 1wix h GLN 153 N -0.24 0.37 -0.66 2.37 1.08 -1.07 -1.01 115.11 115.95 1wix h GLN 153 Ca 0.05 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.17 1wix h GLN 153 Cb 0.30 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 1wix h GLN 153 CO -0.14 0.25 0.20 1.49 -0.95 0.00 0.00 178.83 179.67 1wix h GLU 154 N 0.39 1.04 -0.89 1.46 4.81 -0.81 -1.46 114.58 119.12 1wix h GLU 154 Ca 0.33 -0.23 0.06 0.00 -0.13 0.00 0.00 59.36 59.40 1wix h GLU 154 Cb 0.45 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.62 1wix h GLU 154 CO -0.35 0.91 0.56 -0.07 -0.73 0.00 0.00 179.01 179.32 1wix h LEU 155 N 0.97 0.88 -0.49 1.64 3.38 0.30 0.16 115.31 122.14 1wix h LEU 155 Ca 0.21 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1wix h LEU 155 Cb 0.31 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1wix h LEU 155 CO -0.00 0.56 -0.17 0.24 0.09 0.00 0.00 178.44 179.16 1wix h MET 156 N 1.01 0.00 -0.00 1.13 2.86 -1.05 -2.95 114.93 115.93 1wix h MET 156 Ca 0.39 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 1wix h MET 156 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1wix h MET 156 CO -0.17 0.17 -0.38 0.43 1.06 0.00 0.00 176.91 178.01 1wix n SER 157 N -3.19 0.63 -0.74 1.22 7.64 -0.25 -3.61 113.62 115.32 1wix n SER 157 Ca 0.02 -0.43 0.09 0.00 1.01 0.00 0.00 58.87 59.56 1wix n SER 157 Cb 0.52 0.17 0.10 0.00 -1.01 0.00 0.00 64.21 63.98 1wix n SER 157 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wix n LYS 158 N -1.22 1.63 -0.21 1.43 4.76 0.41 -4.58 118.16 120.39 1wix n LYS 158 Ca 0.08 -1.66 0.01 0.00 -2.87 0.00 0.00 58.31 53.87 1wix n LYS 158 Cb 0.34 -1.35 0.10 0.00 -1.84 0.00 0.00 35.03 32.28 1wix n LYS 158 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1wix h SER 159 N 3.35 -0.29 -3.35 4.39 4.64 -1.60 -3.06 113.55 117.63 1wix h SER 159 Ca 0.00 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1wix h SER 159 Cb 0.74 0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1wix h SER 159 CO 0.00 -0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.45 1wix n GLY 160 N -1.37 4.38 3.64 -0.77 0.00 -1.26 -3.89 105.19 105.93 1wix n GLY 160 Ca 0.09 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.30 3.97 0.20 1.61 0.04 -1.26 -4.95 135.00 131.31 1wix s PRO 161 Ca 0.00 1.81 -0.32 0.00 0.04 0.00 0.00 61.00 62.53 1wix s PRO 161 Cb 0.00 -3.98 -0.15 0.00 0.04 0.00 0.00 34.50 30.41 1wix s PRO 161 CO 0.00 -1.08 1.32 0.45 0.04 0.00 0.00 177.00 177.73 1wix n SER 162 N 7.80 2.15 -3.79 6.66 2.88 -1.26 -4.96 113.62 123.10 1wix n SER 162 Ca 0.18 1.14 -0.30 0.00 -1.33 0.00 0.00 58.87 58.56 1wix n SER 162 Cb 0.44 -1.33 -0.13 0.00 -0.75 0.00 0.00 64.21 62.44 1wix n SER 162 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wix s SER 163 N 0.23 3.87 0.00 -3.46 0.01 -1.26 -5.33 113.70 107.76 1wix s SER 163 Ca 0.72 -2.73 0.00 0.00 1.31 0.00 0.00 55.95 55.25 1wix s SER 163 Cb -0.75 -1.22 0.00 0.00 0.21 0.00 0.00 66.02 64.26 1wix s SER 163 CO 0.50 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.50