#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 -0.09 -0.12 1.61 1.04 -1.26 -5.15 113.70 109.73 1wix s SER 2 Ca 0.00 -0.83 -0.14 0.00 0.48 0.00 0.00 55.95 55.46 1wix s SER 2 Cb 0.00 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.61 1wix s SER 2 CO 0.00 -1.05 0.33 -0.55 0.98 0.00 0.00 173.24 172.95 1wix s SER 3 N -2.98 6.54 0.00 7.02 0.15 -1.26 -5.04 113.70 118.13 1wix s SER 3 Ca 0.18 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.47 1wix s SER 3 Cb 0.00 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 1wix s SER 3 CO 0.04 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1wix n GLY 4 N 2.95 2.44 3.97 9.45 0.00 -1.26 -5.17 105.19 117.57 1wix n GLY 4 Ca -0.12 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 6.09 -0.29 1.61 0.01 -1.26 -5.12 113.70 114.74 1wix s SER 5 Ca 0.00 0.06 -0.16 0.00 1.31 0.00 0.00 55.95 57.16 1wix s SER 5 Cb 0.00 -1.58 0.16 0.00 0.21 0.00 0.00 66.02 64.81 1wix s SER 5 CO 0.00 -0.36 1.02 -0.55 0.41 0.00 0.00 173.24 173.76 1wix s SER 6 N -4.11 -0.44 0.00 2.44 0.15 -1.26 -5.16 113.70 105.32 1wix s SER 6 Ca 0.42 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.77 1wix s SER 6 Cb -0.09 1.17 0.00 0.00 -1.71 0.00 0.00 66.02 65.38 1wix s SER 6 CO 0.32 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.26 1wix n GLY 7 N 3.57 1.02 3.22 9.45 0.00 -1.26 -4.58 105.19 116.61 1wix n GLY 7 Ca -0.18 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 43.61 1wix n GLY 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1wix n LEU 8 N -0.39 -2.40 0.00 0.99 -0.00 -1.26 -4.40 117.00 109.54 1wix n LEU 8 Ca 0.00 -0.02 -0.13 0.00 -0.00 0.00 0.00 56.01 55.86 1wix n LEU 8 Cb 0.00 -0.88 -0.10 0.00 -0.00 0.00 0.00 43.42 42.44 1wix n LEU 8 CO 0.00 -3.22 0.61 1.55 -0.00 0.00 0.00 177.39 176.34 1wix h PRO 9 N -1.71 -0.04 -1.55 1.47 0.13 -1.95 0.73 132.00 129.09 1wix h PRO 9 Ca -0.49 0.00 0.45 0.00 -0.87 0.00 0.00 66.00 65.10 1wix h PRO 9 Cb 1.35 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.43 1wix h PRO 9 CO 0.33 0.43 1.17 1.25 -0.23 0.00 0.00 178.00 180.95 1wix h LEU 10 N -0.53 0.00 0.00 1.56 5.85 -1.94 0.19 115.31 120.44 1wix h LEU 10 Ca -0.00 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.45 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 -1.99 0.00 -0.34 0.00 0.00 178.44 176.12 1wix n ASP 12 N -2.84 0.05 -0.03 0.00 2.03 0.25 -2.48 116.55 113.53 1wix n ASP 12 Ca -0.28 0.52 -0.06 0.00 0.52 0.00 0.00 54.79 55.49 1wix n ASP 12 Cb 0.88 -0.53 -0.03 0.00 -0.72 0.00 0.00 41.12 40.73 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 -1.56 1.80 -0.33 1.67 2.88 0.45 -4.62 113.62 113.92 1wix n SER 13 Ca 0.01 0.03 0.15 0.00 -1.33 0.00 0.00 58.87 57.73 1wix n SER 13 Cb 0.06 -0.15 0.34 0.00 -0.75 0.00 0.00 64.21 63.71 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 -0.13 0.60 -0.45 2.46 3.38 -1.53 0.43 115.31 120.07 1wix h LEU 14 Ca -0.15 0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1wix h LEU 14 Cb 1.17 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1wix h LEU 14 CO -0.07 0.12 0.20 0.40 0.09 0.00 0.00 178.44 179.18 1wix h ILE 15 N 0.57 0.92 -0.44 1.22 2.04 -1.76 -0.84 117.51 119.22 1wix h ILE 15 Ca 0.60 -0.14 0.13 0.00 1.00 0.00 0.00 64.86 66.45 1wix h ILE 15 Cb 1.09 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1wix h ILE 15 CO -0.46 0.07 0.31 0.40 0.00 0.00 0.00 178.15 178.47 1wix h ILE 16 N 0.40 0.79 0.01 -0.67 2.04 -1.17 -0.81 117.51 118.10 1wix h ILE 16 Ca 0.20 -0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.98 1wix h ILE 16 Cb 0.15 0.77 0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1wix h ILE 16 CO -0.17 0.00 -0.33 -0.25 0.00 0.00 0.00 178.15 177.41 1wix h TRP 17 N 0.01 0.32 0.00 1.37 7.01 -1.00 -3.19 115.95 120.46 1wix h TRP 17 Ca 0.21 -0.18 0.00 0.00 2.11 0.00 0.00 58.89 61.03 1wix h TRP 17 Cb 0.82 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.85 1wix h TRP 17 CO -0.00 1.00 0.00 1.25 -2.79 0.00 0.00 178.44 177.90 1wix h LEU 18 N -0.45 0.00 -1.80 0.65 5.85 -0.48 -2.28 115.31 116.80 1wix h LEU 18 Ca -0.04 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1wix h LEU 18 Cb 1.09 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 1wix h LEU 18 CO 0.06 0.00 -0.11 1.56 -0.34 0.00 0.00 178.44 179.62 1wix h GLN 19 N 0.00 0.00 -0.36 1.25 4.20 -1.17 -1.95 115.11 117.09 1wix h GLN 19 Ca 0.00 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.81 1wix h GLN 19 Cb 0.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1wix h GLN 19 CO 0.00 0.11 0.36 1.79 -0.67 0.00 0.00 178.83 180.42 1wix h THR 20 N 0.00 0.46 -3.18 -0.54 1.35 -1.56 -3.35 112.91 106.09 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 0.19 0.72 -0.18 0.00 -1.73 0.00 0.00 68.15 67.15 1wix h THR 20 CO 0.01 0.00 0.10 -0.36 -0.25 0.00 0.00 175.52 175.02 1wix s PHE 21 N -4.68 3.02 -0.09 4.73 0.40 -0.73 -4.91 117.98 115.70 1wix s PHE 21 Ca -0.04 -0.58 0.00 0.00 -0.60 0.00 0.00 56.93 55.71 1wix s PHE 21 Cb 0.16 -3.67 0.12 0.00 0.51 0.00 0.00 43.02 40.14 1wix s PHE 21 CO 0.58 -1.11 1.35 0.36 0.70 0.00 0.00 175.22 177.10 1wix n LYS 22 N 6.31 1.25 -0.92 0.44 2.85 -1.26 -4.78 118.16 122.05 1wix n LYS 22 Ca -0.07 -0.57 -0.37 0.00 -1.05 0.00 0.00 58.31 56.26 1wix n LYS 22 Cb 0.45 -1.22 0.07 0.00 -0.65 0.00 0.00 35.03 33.67 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 0.38 0.00 -0.54 0.58 -2.24 -1.26 -4.64 114.28 106.57 1wix n THR 23 Ca 0.11 -0.15 0.45 0.00 -2.27 0.00 0.00 64.05 62.19 1wix n THR 23 Cb 0.68 -0.16 0.77 0.00 -2.10 0.00 0.00 70.33 69.52 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 -1.26 3.55 -3.10 6.98 0.00 -1.96 -3.33 119.26 120.14 1wix h ALA 24 Ca -0.43 -0.06 -0.67 0.00 0.00 0.00 0.00 54.91 53.75 1wix h ALA 24 Cb 1.37 0.12 -0.32 0.00 0.00 0.00 0.00 17.79 18.97 1wix h ALA 24 CO 0.26 -2.07 -0.81 -1.12 0.00 0.00 0.00 179.25 175.51 1wix s SER 25 N -4.24 3.58 1.09 0.00 0.01 -1.26 -5.11 113.70 107.76 1wix s SER 25 Ca -0.05 -0.53 -0.15 0.00 1.31 0.00 0.00 55.95 56.53 1wix s SER 25 Cb 0.24 -1.57 0.23 0.00 0.21 0.00 0.00 66.02 65.14 1wix s SER 25 CO 0.83 0.03 1.10 -2.16 0.41 0.00 0.00 173.24 173.44 1wix s PRO 26 N 1.15 -0.29 -0.36 12.44 0.04 -1.25 -4.62 135.00 142.11 1wix s PRO 26 Ca 0.01 0.27 -0.00 0.00 0.04 0.00 0.00 61.00 61.32 1wix s PRO 26 Cb -0.14 -1.67 0.12 0.00 0.04 0.00 0.00 34.50 32.85 1wix s PRO 26 CO -0.06 -3.16 0.18 0.00 0.04 0.00 0.00 177.00 174.00 1wix n GLN 28 N 4.28 0.00 -4.16 0.00 6.02 -1.26 -4.70 117.38 117.56 1wix n GLN 28 Ca 0.05 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.81 1wix n GLN 28 Cb 0.38 -0.17 -0.05 0.00 1.02 0.00 0.00 30.24 31.42 1wix n GLN 28 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1wix s ASP 29 N -2.28 5.24 0.40 1.08 2.15 -1.26 -4.99 116.67 117.01 1wix s ASP 29 Ca 0.00 -0.36 0.13 0.00 0.43 0.00 0.00 52.55 52.75 1wix s ASP 29 Cb 0.00 -1.25 0.96 0.00 -0.30 0.00 0.00 42.92 42.33 1wix s ASP 29 CO 0.00 -0.02 1.91 -0.37 -0.17 0.00 0.00 175.17 176.52 1wix h VAL 30 N 1.64 0.82 0.00 1.11 -1.51 -1.94 0.41 116.25 116.79 1wix h VAL 30 Ca -0.47 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1wix h VAL 30 Cb 1.24 0.25 0.00 0.00 -2.13 0.00 0.00 31.29 30.65 1wix h VAL 30 CO 0.61 0.10 0.00 0.29 -1.23 0.00 0.00 177.57 177.33 1wix n LYS 31 N -4.51 0.10 -0.01 5.19 5.02 -1.26 -1.10 118.16 121.60 1wix n LYS 31 Ca 0.15 0.44 0.03 0.00 -2.02 0.00 0.00 58.31 56.91 1wix n LYS 31 Cb 0.49 -1.74 -0.12 0.00 -0.02 0.00 0.00 35.03 33.63 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 -1.94 0.65 -0.01 1.97 6.02 0.14 -4.28 117.38 119.93 1wix n GLN 32 Ca 0.01 0.01 -0.08 0.00 -0.01 0.00 0.00 57.00 56.93 1wix n GLN 32 Cb 0.13 -1.64 -0.13 0.00 1.02 0.00 0.00 30.24 29.62 1wix n GLN 32 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1wix h LEU 33 N 0.00 0.00 -1.92 1.08 -0.00 -1.05 -3.36 115.31 110.07 1wix h LEU 33 Ca -0.18 0.00 0.55 0.00 -0.00 0.00 0.00 57.88 58.25 1wix h LEU 33 Cb 1.48 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 42.05 1wix h LEU 33 CO 0.02 0.97 1.34 0.71 -0.00 0.00 0.00 178.44 181.48 1wix h THR 34 N 0.00 0.02 -0.22 0.22 1.35 -1.30 0.27 112.91 113.26 1wix h THR 34 Ca -0.25 -0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.67 1wix h THR 34 Cb 1.96 0.02 -0.07 0.00 -1.73 0.00 0.00 68.15 68.33 1wix h THR 34 CO 0.08 0.00 -0.26 -0.55 -0.25 0.00 0.00 175.52 174.54 1wix h ASN 35 N 0.00 -0.84 0.00 5.36 -1.07 -1.83 -3.46 115.58 113.74 1wix h ASN 35 Ca 0.92 0.14 0.00 0.00 0.07 0.00 0.00 56.30 57.44 1wix h ASN 35 Cb 3.61 0.39 0.00 0.00 -2.07 0.00 0.00 38.32 40.25 1wix h ASN 35 CO -0.07 -0.30 0.00 0.61 0.07 0.00 0.00 177.43 177.74 1wix n GLY 36 N -1.39 1.54 0.18 9.14 0.00 0.96 -4.23 105.19 111.39 1wix n GLY 36 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 0.64 -0.28 1.61 2.07 -1.81 -0.55 116.25 117.92 1wix h VAL 37 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1wix h VAL 37 Cb 0.00 0.64 -0.08 0.00 -1.52 0.00 0.00 31.29 30.33 1wix h VAL 37 CO 0.00 0.00 -0.39 0.74 0.02 0.00 0.00 177.57 177.94 1wix h THR 38 N -0.17 0.17 0.43 2.57 2.02 -1.86 0.14 112.91 116.20 1wix h THR 38 Ca 0.08 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 1wix h THR 38 Cb 0.29 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1wix h THR 38 CO -0.21 0.00 -0.36 0.24 0.37 0.00 0.00 175.52 175.56 1wix h MET 39 N -0.37 -0.76 -0.60 6.66 2.86 -1.81 -2.21 114.93 118.70 1wix h MET 39 Ca 0.12 0.05 0.12 0.00 -2.06 0.00 0.00 59.70 57.93 1wix h MET 39 Cb 0.58 0.17 -0.12 0.00 0.06 0.00 0.00 31.60 32.30 1wix h MET 39 CO -0.48 -0.50 -0.21 0.00 1.06 0.00 0.00 176.91 176.78 1wix h ALA 40 N -0.36 0.28 -0.80 6.32 0.00 -0.66 0.33 119.26 124.36 1wix h ALA 40 Ca -0.04 0.22 0.13 0.00 0.00 0.00 0.00 54.91 55.22 1wix h ALA 40 Cb 0.68 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 1wix h ALA 40 CO -0.02 -0.50 0.53 1.96 0.00 0.00 0.00 179.25 181.22 1wix h GLN 41 N -0.06 0.56 -0.43 0.00 4.20 -0.49 -0.78 115.11 118.12 1wix h GLN 41 Ca 0.28 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.81 1wix h GLN 41 Cb 0.49 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1wix h GLN 41 CO -0.65 0.37 -0.30 0.28 -0.67 0.00 0.00 178.83 177.86 1wix h VAL 42 N 0.57 1.27 -0.73 -0.54 2.07 0.23 -3.11 116.25 116.02 1wix h VAL 42 Ca 0.39 -1.47 0.08 0.00 0.82 0.00 0.00 66.70 66.52 1wix h VAL 42 Cb 0.71 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 1wix h VAL 42 CO -0.15 0.50 0.40 -0.07 0.02 0.00 0.00 177.57 178.27 1wix h LEU 43 N 0.80 0.57 -1.89 2.57 -0.00 0.05 -0.05 115.31 117.36 1wix h LEU 43 Ca 0.08 0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 58.00 1wix h LEU 43 Cb 0.89 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 41.48 1wix h LEU 43 CO 0.08 0.34 -0.02 -0.74 -0.00 0.00 0.00 178.44 178.10 1wix h HIS 44 N 0.70 0.04 -0.11 1.13 2.76 -1.43 -1.77 115.15 116.46 1wix h HIS 44 Ca 0.34 -0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 58.33 1wix h HIS 44 Cb 0.28 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.23 1wix h HIS 44 CO -0.08 0.06 -0.69 1.96 -1.30 0.00 0.00 177.93 177.88 1wix h GLN 45 N 0.04 0.49 -0.08 5.26 4.20 -1.00 -3.25 115.11 120.76 1wix h GLN 45 Ca 0.01 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.34 1wix h GLN 45 Cb 0.07 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1wix h GLN 45 CO 0.00 1.00 0.03 0.82 -0.67 0.00 0.00 178.83 180.02 1wix h ILE 46 N 0.35 1.15 -1.61 2.54 2.04 -0.69 -3.44 117.51 117.84 1wix h ILE 46 Ca -0.02 -0.46 0.11 0.00 1.00 0.00 0.00 64.86 65.48 1wix h ILE 46 Cb 1.26 1.31 -0.21 0.00 -0.74 0.00 0.00 36.82 38.44 1wix h ILE 46 CO 0.12 0.13 -0.04 -1.81 0.00 0.00 0.00 178.15 176.56 1wix s ASP 47 N -5.48 -1.00 0.45 1.72 1.01 -1.02 -4.83 116.67 107.52 1wix s ASP 47 Ca -0.14 1.28 0.25 0.00 0.71 0.00 0.00 52.55 54.66 1wix s ASP 47 Cb 0.06 2.10 0.73 0.00 1.01 0.00 0.00 42.92 46.82 1wix s ASP 47 CO 0.68 -0.19 1.75 -0.37 0.21 0.00 0.00 175.17 177.25 1wix h VAL 48 N 5.85 0.22 -0.95 -1.27 -1.51 -1.71 -1.47 116.25 115.42 1wix h VAL 48 Ca -0.18 -1.03 0.13 0.00 -1.23 0.00 0.00 66.70 64.39 1wix h VAL 48 Cb 1.11 1.86 -0.08 0.00 -2.13 0.00 0.00 31.29 32.05 1wix h VAL 48 CO 0.10 0.11 0.60 0.00 -1.23 0.00 0.00 177.57 177.15 1wix h ALA 49 N 1.89 1.66 0.00 5.19 0.00 -1.95 -2.37 119.26 123.69 1wix h ALA 49 Ca -0.00 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1wix h ALA 49 Cb 0.85 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1wix h ALA 49 CO 0.01 0.09 -1.72 1.87 0.00 0.00 0.00 179.25 179.51 1wix n TRP 50 N -4.59 0.00 -3.65 0.00 -0.00 -1.21 -4.77 117.44 103.22 1wix n TRP 50 Ca 0.18 0.00 -0.27 0.00 -0.00 0.00 0.00 57.50 57.41 1wix n TRP 50 Cb 0.40 -0.42 -0.11 0.00 -0.00 0.00 0.00 31.31 31.18 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 -2.15 2.11 -3.22 5.87 3.72 -0.56 -4.98 117.46 118.26 1wix n PHE 51 Ca -0.09 -4.00 -0.22 0.00 -0.05 0.00 0.00 57.45 53.09 1wix n PHE 51 Cb 0.55 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 1wix n PHE 51 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1wix s SER 52 N -1.28 5.97 0.54 4.37 1.04 -0.91 -4.11 113.70 119.30 1wix s SER 52 Ca 0.30 0.18 0.39 0.00 0.48 0.00 0.00 55.95 57.30 1wix s SER 52 Cb 0.03 -1.55 1.57 0.00 0.10 0.00 0.00 66.02 66.17 1wix s SER 52 CO -0.15 -0.54 1.74 -0.33 0.98 0.00 0.00 173.24 174.95 1wix h GLU 53 N 0.62 0.02 -0.97 4.02 5.08 -1.97 0.58 114.58 121.96 1wix h GLU 53 Ca -0.47 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 57.92 1wix h GLU 53 Cb 1.25 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.44 1wix h GLU 53 CO 0.57 0.02 0.64 0.77 -1.00 0.00 0.00 179.01 180.00 1wix h SER 54 N 0.02 1.08 0.02 1.42 0.02 -1.97 0.12 113.55 114.26 1wix h SER 54 Ca 0.67 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.60 1wix h SER 54 Cb 2.62 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 64.90 1wix h SER 54 CO -0.04 0.75 -0.01 -0.25 -1.14 0.00 0.00 176.83 176.14 1wix h TRP 55 N 1.26 -0.03 0.00 3.45 7.01 -0.22 -3.26 115.95 124.17 1wix h TRP 55 Ca 0.37 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.37 1wix h TRP 55 Cb -0.06 0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.01 1wix h TRP 55 CO -0.00 0.60 0.03 -0.11 -2.79 0.00 0.00 178.44 176.17 1wix n LEU 56 N -4.71 0.53 0.00 0.65 7.94 -0.87 -0.48 117.00 120.05 1wix n LEU 56 Ca -0.07 0.74 0.11 0.00 -1.11 0.00 0.00 56.01 55.68 1wix n LEU 56 Cb 0.31 -0.80 0.48 0.00 0.53 0.00 0.00 43.42 43.95 1wix n LEU 56 CO 0.24 -0.92 0.86 -0.24 -1.11 0.00 0.00 177.39 176.22 1wix n SER 57 N -2.22 0.01 0.02 1.96 2.88 0.40 -2.50 113.62 114.16 1wix n SER 57 Ca -0.01 0.50 0.12 0.00 -1.33 0.00 0.00 58.87 58.14 1wix n SER 57 Cb 0.06 -0.50 0.12 0.00 -0.75 0.00 0.00 64.21 63.14 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 -1.51 0.13 -3.11 -1.46 5.12 0.37 -4.90 116.66 111.30 1wix n ARG 58 Ca 0.05 0.01 -0.39 0.00 -1.93 0.00 0.00 57.85 55.60 1wix n ARG 58 Cb 0.27 -1.55 -0.06 0.00 -1.16 0.00 0.00 32.46 29.95 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 -3.08 4.54 0.26 0.55 -1.09 -1.04 -4.93 121.20 116.40 1wix s ILE 59 Ca 0.08 1.46 0.11 0.00 -2.23 0.00 0.00 60.65 60.07 1wix s ILE 59 Cb 0.16 -4.01 -0.05 0.00 -1.58 0.00 0.00 42.46 36.98 1wix s ILE 59 CO 0.76 0.50 -0.18 -0.54 -1.23 0.00 0.00 174.94 174.24 1wix s LYS 60 N -1.23 1.73 -0.01 2.79 1.02 -1.26 -5.04 119.74 117.75 1wix s LYS 60 Ca 0.34 -1.66 0.07 0.00 0.02 0.00 0.00 55.97 54.74 1wix s LYS 60 Cb -0.21 -1.84 -0.10 0.00 -0.52 0.00 0.00 37.83 35.16 1wix s LYS 60 CO 0.23 0.35 0.22 -3.47 -0.92 0.00 0.00 175.35 171.76 1wix n ASP 61 N -0.45 2.19 0.30 2.83 2.03 -1.26 -4.56 116.55 117.63 1wix n ASP 61 Ca -0.07 -0.25 0.09 0.00 0.52 0.00 0.00 54.79 55.08 1wix n ASP 61 Cb 0.59 1.21 0.46 0.00 -0.72 0.00 0.00 41.12 42.66 1wix n ASP 61 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1wix h ASP 62 N 0.00 0.00 -1.65 1.67 5.19 -1.96 -2.18 116.42 117.50 1wix h ASP 62 Ca 0.00 0.00 0.48 0.00 -0.62 0.00 0.00 57.03 56.89 1wix h ASP 62 Cb 0.28 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.72 1wix h ASP 62 CO 0.00 0.00 1.29 1.33 -3.12 0.00 0.00 179.24 178.74 1wix n VAL 63 N -2.59 0.00 -0.23 -1.35 0.24 -1.26 -1.67 118.33 111.47 1wix n VAL 63 Ca -0.01 1.34 0.01 0.00 -2.04 0.00 0.00 64.34 63.64 1wix n VAL 63 Cb 0.58 -2.26 0.05 0.00 -1.47 0.00 0.00 33.84 30.73 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 -1.81 -1.15 0.50 7.63 0.00 -0.82 0.14 105.19 109.67 1wix n GLY 64 Ca 0.37 0.66 0.08 0.00 0.00 0.00 0.00 46.02 47.14 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 -4.91 1.97 -4.27 1.61 8.00 -0.67 -4.92 116.55 113.35 1wix n ASP 65 Ca 0.07 -1.48 -0.32 0.00 0.71 0.00 0.00 54.79 53.76 1wix n ASP 65 Cb 0.26 0.30 -0.16 0.00 -0.02 0.00 0.00 41.12 41.50 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 -1.79 3.45 0.02 -2.24 0.01 0.37 -5.00 114.94 109.77 1wix s ASN 66 Ca 0.16 -0.48 0.18 0.00 -0.71 0.00 0.00 52.86 52.02 1wix s ASN 66 Cb 0.14 -1.49 -0.17 0.00 0.41 0.00 0.00 41.25 40.14 1wix s ASN 66 CO 0.35 0.15 0.69 -2.67 -1.51 0.00 0.00 177.10 174.10 1wix n TRP 67 N 3.61 0.70 -0.07 2.20 4.27 -1.26 -4.16 117.44 122.73 1wix n TRP 67 Ca -0.19 0.23 -0.14 0.00 -3.89 0.00 0.00 57.50 53.51 1wix n TRP 67 Cb 0.53 -0.98 -0.03 0.00 -1.36 0.00 0.00 31.31 29.47 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 0.85 0.00 -2.67 3.08 -1.94 -2.98 114.38 110.72 1wix h ARG 68 Ca -0.18 -0.53 -0.01 0.00 0.07 0.00 0.00 59.98 59.33 1wix h ARG 68 Cb 1.53 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.64 1wix h ARG 68 CO 0.03 1.17 -0.07 0.82 -1.07 0.00 0.00 179.97 180.85 1wix h ILE 69 N 0.66 0.67 0.87 2.04 2.04 -1.93 -3.01 117.51 118.84 1wix h ILE 69 Ca 0.02 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 1wix h ILE 69 Cb 1.13 1.16 0.01 0.00 -0.74 0.00 0.00 36.82 38.39 1wix h ILE 69 CO 0.12 0.06 -0.42 0.11 0.00 0.00 0.00 178.15 178.03 1wix h LYS 70 N 0.00 -1.12 -0.43 2.37 1.57 -1.68 -2.96 116.57 114.32 1wix h LYS 70 Ca -0.00 0.08 0.09 0.00 -1.87 0.00 0.00 60.65 58.94 1wix h LYS 70 Cb 0.16 0.26 -0.09 0.00 0.08 0.00 0.00 32.23 32.63 1wix h LYS 70 CO 0.01 -0.75 -0.24 0.00 -0.57 0.00 0.00 179.45 177.90 1wix h ALA 71 N -1.41 0.04 -0.97 3.86 0.00 -1.61 0.23 119.26 119.41 1wix h ALA 71 Ca -0.12 0.14 0.31 0.00 0.00 0.00 0.00 54.91 55.24 1wix h ALA 71 Cb 0.89 0.55 -0.16 0.00 0.00 0.00 0.00 17.79 19.08 1wix h ALA 71 CO 0.20 -0.60 0.38 1.03 0.00 0.00 0.00 179.25 180.26 1wix h SER 72 N -0.15 0.17 0.23 0.00 0.87 -1.52 -0.13 113.55 113.01 1wix h SER 72 Ca 0.20 0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.97 1wix h SER 72 Cb 0.47 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1wix h SER 72 CO -0.52 -0.25 -0.11 0.78 -0.53 0.00 0.00 176.83 176.20 1wix h ASN 73 N 0.17 -0.27 -1.39 6.23 2.35 -0.85 -3.25 115.58 118.57 1wix h ASN 73 Ca 0.69 0.01 0.47 0.00 -0.55 0.00 0.00 56.30 56.92 1wix h ASN 73 Cb 1.58 0.07 -0.13 0.00 0.05 0.00 0.00 38.32 39.89 1wix h ASN 73 CO -0.71 0.19 0.90 0.18 -1.65 0.00 0.00 177.43 176.33 1wix n LEU 74 N -4.94 0.20 0.38 1.61 4.77 -0.29 0.10 117.00 118.83 1wix n LEU 74 Ca -0.04 1.35 -0.17 0.00 -0.03 0.00 0.00 56.01 57.11 1wix n LEU 74 Cb 0.12 -0.66 -0.09 0.00 -2.33 0.00 0.00 43.42 40.47 1wix n LEU 74 CO 0.09 -1.46 0.54 0.11 -1.33 0.00 0.00 177.39 175.35 1wix h LYS 75 N 0.00 -0.93 -0.76 3.23 1.57 -1.12 -1.99 116.57 116.56 1wix h LYS 75 Ca 0.87 0.06 0.09 0.00 -1.87 0.00 0.00 60.65 59.80 1wix h LYS 75 Cb 2.84 0.21 -0.07 0.00 0.08 0.00 0.00 32.23 35.29 1wix h LYS 75 CO -0.44 -0.60 0.42 0.87 -0.57 0.00 0.00 179.45 179.14 1wix h LYS 76 N -1.09 0.70 -0.33 3.15 1.57 -0.37 0.94 116.57 121.14 1wix h LYS 76 Ca -0.10 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1wix h LYS 76 Cb 0.77 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 1wix h LYS 76 CO 0.16 0.47 0.02 0.28 -0.57 0.00 0.00 179.45 179.81 1wix h VAL 77 N 0.72 0.78 0.27 0.50 2.07 -1.16 0.23 116.25 119.67 1wix h VAL 77 Ca 0.37 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.83 1wix h VAL 77 Cb 0.32 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1wix h VAL 77 CO -0.24 0.02 -0.13 0.25 0.02 0.00 0.00 177.57 177.49 1wix h LEU 78 N 0.12 -0.31 -1.59 2.57 5.85 -0.68 -3.04 115.31 118.25 1wix h LEU 78 Ca 0.16 -0.21 0.20 0.00 0.84 0.00 0.00 57.88 58.87 1wix h LEU 78 Cb 0.21 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 1wix h LEU 78 CO -0.25 0.09 0.58 -0.74 -0.34 0.00 0.00 178.44 177.78 1wix h HIS 79 N -0.76 0.46 -0.05 1.25 2.76 -0.70 0.23 115.15 118.34 1wix h HIS 79 Ca -0.04 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.08 1wix h HIS 79 Cb 0.50 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 1wix h HIS 79 CO 0.04 0.13 -0.28 0.78 -1.30 0.00 0.00 177.93 177.29 1wix h GLY 80 N 0.35 0.09 0.00 5.26 0.00 -0.46 -2.91 103.07 105.41 1wix h GLY 80 Ca 0.44 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 1wix h GLY 80 CO -0.15 0.06 -0.29 -2.22 0.00 0.00 0.00 176.54 173.95 1wix h ILE 81 N 0.08 0.14 -0.97 2.60 2.04 -0.51 -3.28 117.51 117.61 1wix h ILE 81 Ca 0.01 -1.13 0.11 0.00 1.00 0.00 0.00 64.86 64.85 1wix h ILE 81 Cb 0.54 0.29 -0.13 0.00 -0.74 0.00 0.00 36.82 36.79 1wix h ILE 81 CO 0.04 0.05 -0.51 0.35 0.00 0.00 0.00 178.15 178.07 1wix n THR 82 N -4.68 -0.61 -0.11 -0.27 -2.24 -0.32 0.17 114.28 106.22 1wix n THR 82 Ca -0.05 2.33 0.17 0.00 -2.27 0.00 0.00 64.05 64.22 1wix n THR 82 Cb 0.18 -2.94 0.56 0.00 -2.10 0.00 0.00 70.33 66.03 1wix n THR 82 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1wix h SER 83 N 0.00 0.27 0.64 3.42 0.02 -1.71 0.47 113.55 116.66 1wix h SER 83 Ca 0.21 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1wix h SER 83 Cb 0.45 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1wix h SER 83 CO -0.93 0.14 0.00 0.00 -1.14 0.00 0.00 176.83 174.90 1wix n TYR 84 N -4.45 0.84 -0.07 3.45 9.36 0.45 0.10 117.16 126.85 1wix n TYR 84 Ca 0.13 0.34 -0.10 0.00 3.32 0.00 0.00 57.90 61.59 1wix n TYR 84 Cb 0.54 -1.05 -0.15 0.00 -0.63 0.00 0.00 39.34 38.04 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 0.40 0.03 2.98 4.01 0.16 -2.69 117.16 119.77 1wix n TYR 85 Ca 0.02 0.14 0.08 0.00 -0.16 0.00 0.00 57.90 57.97 1wix n TYR 85 Cb 0.21 -1.07 -0.09 0.00 -0.31 0.00 0.00 39.34 38.07 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 -2.90 0.52 -0.00 -0.72 8.25 -0.76 0.13 115.22 119.75 1wix n HIS 86 Ca -0.27 0.16 -0.00 0.00 -0.26 0.00 0.00 57.72 57.34 1wix n HIS 86 Cb 1.11 -0.81 -0.00 0.00 1.12 0.00 0.00 29.99 31.41 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 -2.56 0.02 0.00 -0.41 1.02 0.28 -3.68 120.64 115.32 1wix n GLU 87 Ca -0.06 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1wix n GLU 87 Cb 0.65 -0.66 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1wix n GLU 87 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1wix n PHE 88 N -2.47 0.00 -0.08 -0.32 7.35 -1.19 -3.84 117.46 116.91 1wix n PHE 88 Ca -0.00 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.55 1wix n PHE 88 Cb 0.02 -0.47 -0.05 0.00 0.35 0.00 0.00 39.48 39.33 1wix n PHE 88 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1wix h LEU 89 N 0.00 0.66 0.00 -2.13 3.38 -1.63 -3.48 115.31 112.11 1wix h LEU 89 Ca 0.00 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1wix h LEU 89 Cb 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1wix h LEU 89 CO 0.00 1.00 0.00 0.61 0.09 0.00 0.00 178.44 180.14 1wix n GLY 90 N 0.17 2.41 1.76 0.83 0.00 0.32 -4.94 105.19 105.75 1wix n GLY 90 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.08 -2.80 -4.16 1.61 10.64 0.35 -4.33 117.38 118.62 1wix n GLN 91 Ca 0.00 -0.85 -0.24 0.00 -1.83 0.00 0.00 57.00 54.08 1wix n GLN 91 Cb 0.00 -0.93 -0.06 0.00 -0.86 0.00 0.00 30.24 28.39 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 -3.62 0.72 -5.20 2.61 10.64 -1.21 -1.82 117.38 119.50 1wix n GLN 92 Ca 0.08 -3.07 -0.31 0.00 -1.83 0.00 0.00 57.00 51.87 1wix n GLN 92 Cb 0.31 1.40 -0.17 0.00 -0.86 0.00 0.00 30.24 30.92 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 -2.79 2.00 0.39 -0.39 1.01 -1.26 -4.09 121.20 116.07 1wix s ILE 93 Ca 0.13 -1.01 -0.24 0.00 0.00 0.00 0.00 60.65 59.53 1wix s ILE 93 Cb 0.01 -1.72 -0.10 0.00 0.01 0.00 0.00 42.46 40.66 1wix s ILE 93 CO 0.09 0.55 1.00 -0.55 0.00 0.00 0.00 174.94 176.03 1wix s SER 94 N 0.15 6.92 0.41 3.58 0.15 -1.26 -4.87 113.70 118.78 1wix s SER 94 Ca -0.12 1.90 0.16 0.00 0.70 0.00 0.00 55.95 58.58 1wix s SER 94 Cb -0.16 -2.57 0.87 0.00 -1.71 0.00 0.00 66.02 62.45 1wix s SER 94 CO 0.07 -0.37 1.41 -0.33 1.20 0.00 0.00 173.24 175.21 1wix h GLU 95 N 2.46 0.00 -0.08 5.44 5.08 -1.96 0.45 114.58 125.98 1wix h GLU 95 Ca -0.48 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.74 1wix h GLU 95 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1wix h GLU 95 CO 0.62 0.00 -0.56 0.93 -1.00 0.00 0.00 179.01 179.00 1wix h GLU 96 N 0.00 0.24 0.00 2.33 4.39 -2.00 -3.18 114.58 116.36 1wix h GLU 96 Ca 0.00 -0.15 -0.22 0.00 0.34 0.00 0.00 59.36 59.33 1wix h GLU 96 Cb 0.70 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.33 1wix h GLU 96 CO 0.00 0.74 -1.69 1.28 -1.16 0.00 0.00 179.01 178.18 1wix n LEU 97 N -3.91 0.66 -4.47 1.33 4.77 0.15 -4.88 117.00 110.66 1wix n LEU 97 Ca -0.02 0.30 -0.47 0.00 -0.03 0.00 0.00 56.01 55.79 1wix n LEU 97 Cb 0.59 0.16 -0.07 0.00 -2.33 0.00 0.00 43.42 41.77 1wix n LEU 97 CO 0.44 0.25 1.90 -0.38 -1.33 0.00 0.00 177.39 178.27 1wix n ILE 98 N -2.86 0.12 -2.18 -0.08 2.08 -0.88 -4.58 119.36 110.97 1wix n ILE 98 Ca -0.15 -0.32 -0.42 0.00 0.56 0.00 0.00 62.75 62.42 1wix n ILE 98 Cb 0.92 -1.71 -0.03 0.00 -0.75 0.00 0.00 39.64 38.08 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 6.95 4.29 -1.09 0.38 0.04 -1.26 -4.95 135.00 139.37 1wix s PRO 99 Ca 1.11 2.03 -0.21 0.00 0.04 0.00 0.00 61.00 63.97 1wix s PRO 99 Cb -0.78 -3.47 0.07 0.00 0.04 0.00 0.00 34.50 30.36 1wix s PRO 99 CO 0.45 -0.54 1.48 -0.51 0.04 0.00 0.00 177.00 177.91 1wix s ASP 100 N 1.68 6.64 0.19 6.66 1.01 -1.26 -4.84 116.67 126.75 1wix s ASP 100 Ca 0.65 -1.87 -0.12 0.00 0.71 0.00 0.00 52.55 51.92 1wix s ASP 100 Cb -0.34 -2.54 0.20 0.00 1.01 0.00 0.00 42.92 41.25 1wix s ASP 100 CO 0.28 -1.32 1.75 -0.07 0.21 0.00 0.00 175.17 176.02 1wix h LEU 101 N 12.23 0.20 -1.64 1.23 3.38 -1.95 0.04 115.31 128.80 1wix h LEU 101 Ca 0.26 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.42 1wix h LEU 101 Cb 0.97 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 1wix h LEU 101 CO 1.38 0.14 0.44 0.78 0.09 0.00 0.00 178.44 181.27 1wix h ASN 102 N 0.38 0.36 0.73 -0.43 2.35 -1.99 0.44 115.58 117.42 1wix h ASN 102 Ca 0.26 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1wix h ASN 102 Cb 0.28 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1wix h ASN 102 CO -0.26 0.20 -0.37 1.67 -1.65 0.00 0.00 177.43 177.03 1wix n GLN 103 N -4.47 0.06 -0.02 0.81 7.27 -0.21 -2.11 117.38 118.70 1wix n GLN 103 Ca 0.12 0.02 0.02 0.00 0.07 0.00 0.00 57.00 57.23 1wix n GLN 103 Cb 0.45 -1.54 -0.14 0.00 2.41 0.00 0.00 30.24 31.42 1wix n GLN 103 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1wix n ILE 104 N -1.63 0.72 -0.06 1.69 5.41 0.10 0.78 119.36 126.37 1wix n ILE 104 Ca 0.06 -0.66 -0.11 0.00 1.00 0.00 0.00 62.75 63.04 1wix n ILE 104 Cb 0.36 -0.31 -0.15 0.00 -0.71 0.00 0.00 39.64 38.83 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 -2.57 1.51 -0.07 1.39 -1.04 0.11 -2.46 114.28 111.16 1wix n THR 105 Ca -0.14 -0.80 -0.15 0.00 -2.04 0.00 0.00 64.05 60.92 1wix n THR 105 Cb 0.81 -0.85 -0.14 0.00 -1.82 0.00 0.00 70.33 68.33 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 -2.96 0.68 -0.07 -2.82 1.02 -0.90 -4.67 120.64 110.93 1wix n GLU 106 Ca -0.28 0.17 -0.11 0.00 -0.02 0.00 0.00 57.16 56.92 1wix n GLU 106 Cb 1.10 -1.62 -0.07 0.00 -0.02 0.00 0.00 31.44 30.83 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 -2.98 -0.32 -1.67 0.00 0.00 0.23 -4.92 120.51 110.86 1wix n ALA 108 Ca -0.26 0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 1wix n ALA 108 Cb 0.77 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.33 2.21 0.09 0.00 2.03 -1.11 -4.78 116.55 114.66 1wix n ASP 109 Ca -0.14 1.13 -0.03 0.00 0.52 0.00 0.00 54.79 56.27 1wix n ASP 109 Cb 0.55 -1.44 0.20 0.00 -0.72 0.00 0.00 41.12 39.70 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 2.11 0.25 -0.29 -0.67 0.13 -1.94 -1.63 132.00 129.96 1wix h PRO 110 Ca -0.46 -0.13 -0.05 0.00 -0.87 0.00 0.00 66.00 64.49 1wix h PRO 110 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 1wix h PRO 110 CO 0.60 0.66 -0.05 0.28 -0.23 0.00 0.00 178.00 179.26 1wix h VAL 111 N 0.20 1.20 0.00 1.56 2.07 -1.96 -2.14 116.25 117.18 1wix h VAL 111 Ca 0.01 -0.81 -0.08 0.00 0.82 0.00 0.00 66.70 66.64 1wix h VAL 111 Cb 0.89 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1wix h VAL 111 CO 0.07 0.27 -0.45 -0.33 0.02 0.00 0.00 177.57 177.15 1wix h GLU 112 N 0.44 0.00 -0.89 1.57 4.39 -1.91 -3.33 114.58 114.85 1wix h GLU 112 Ca 0.09 0.00 0.21 0.00 0.34 0.00 0.00 59.36 60.00 1wix h GLU 112 Cb 0.36 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.89 1wix h GLU 112 CO 0.02 0.95 0.42 1.25 -1.16 0.00 0.00 179.01 180.48 1wix h LEU 113 N -1.00 0.40 -1.56 1.33 7.12 -1.30 0.26 115.31 120.57 1wix h LEU 113 Ca -0.12 0.14 0.03 0.00 0.13 0.00 0.00 57.88 58.05 1wix h LEU 113 Cb 1.06 0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 41.26 1wix h LEU 113 CO -0.07 0.06 0.33 1.23 -0.13 0.00 0.00 178.44 179.86 1wix h GLY 114 N 0.47 0.65 0.98 3.75 0.00 -1.52 -2.59 103.07 104.80 1wix h GLY 114 Ca 0.54 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1wix h GLY 114 CO -0.49 0.20 0.01 3.21 0.00 0.00 0.00 176.54 179.48 1wix h ARG 115 N 0.58 0.02 -0.80 4.80 3.08 -0.58 -2.02 114.38 119.45 1wix h ARG 115 Ca 0.20 -0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.37 1wix h ARG 115 Cb 0.08 -0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.04 1wix h ARG 115 CO -0.05 0.04 0.41 1.25 -1.07 0.00 0.00 179.97 180.55 1wix h LEU 116 N -0.00 0.51 -1.21 3.04 5.85 -1.35 0.23 115.31 122.38 1wix h LEU 116 Ca 0.01 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 1wix h LEU 116 Cb 0.02 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1wix h LEU 116 CO -0.00 0.25 0.02 -0.07 -0.34 0.00 0.00 178.44 178.30 1wix h LEU 117 N 0.63 0.53 -0.26 2.25 3.38 -1.35 -2.86 115.31 117.63 1wix h LEU 117 Ca 0.42 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.31 1wix h LEU 117 Cb 0.53 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1wix h LEU 117 CO -0.32 0.58 0.14 -0.61 0.09 0.00 0.00 178.44 178.32 1wix h GLN 118 N 0.54 0.29 -0.78 1.13 4.15 -0.22 -1.37 115.11 118.84 1wix h GLN 118 Ca 0.12 -0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.63 1wix h GLN 118 Cb 0.31 -0.07 -0.08 0.00 0.21 0.00 0.00 27.48 27.86 1wix h GLN 118 CO 0.01 0.19 0.41 -0.07 -1.93 0.00 0.00 178.83 177.44 1wix h LEU 119 N 0.30 0.54 -0.59 -2.39 4.07 -1.24 0.26 115.31 116.27 1wix h LEU 119 Ca 0.10 0.07 -0.08 0.00 0.08 0.00 0.00 57.88 58.05 1wix h LEU 119 Cb 0.01 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 1wix h LEU 119 CO -0.06 0.28 0.04 0.40 -1.08 0.00 0.00 178.44 178.03 1wix h ILE 120 N 0.66 1.26 -0.17 1.22 2.04 -1.40 -2.40 117.51 118.73 1wix h ILE 120 Ca 0.40 -1.07 -0.11 0.00 1.00 0.00 0.00 64.86 65.07 1wix h ILE 120 Cb 0.45 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1wix h ILE 120 CO -0.29 0.39 -0.38 0.25 0.00 0.00 0.00 178.15 178.12 1wix h LEU 121 N 0.90 0.38 -0.47 1.44 5.85 -0.13 -2.62 115.31 120.66 1wix h LEU 121 Ca 0.17 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1wix h LEU 121 Cb 0.49 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1wix h LEU 121 CO 0.02 0.73 -0.05 1.23 -0.34 0.00 0.00 178.44 180.03 1wix h GLY 122 N 1.14 0.93 2.00 3.75 0.00 -0.29 -2.78 103.07 107.82 1wix h GLY 122 Ca 0.03 -0.72 -0.05 0.00 0.00 0.00 0.00 47.33 46.59 1wix h GLY 122 CO 0.06 0.66 -0.24 0.00 0.00 0.00 0.00 176.54 177.03 1wix n ALA 124 N -2.25 2.63 -0.05 0.00 0.00 -1.00 -3.14 120.51 116.71 1wix n ALA 124 Ca -0.00 -0.21 0.03 0.00 0.00 0.00 0.00 53.44 53.26 1wix n ALA 124 Cb 0.42 -1.42 0.07 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.08 0.87 -2.17 0.00 0.24 -0.88 -4.11 118.33 111.19 1wix n VAL 125 Ca 0.16 -0.93 0.04 0.00 -2.04 0.00 0.00 64.34 61.57 1wix n VAL 125 Cb 0.24 0.58 0.07 0.00 -1.47 0.00 0.00 33.84 33.26 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 0.06 1.17 -3.21 -1.34 3.02 -1.17 -5.00 115.26 108.80 1wix n ASN 126 Ca 0.06 -2.56 -0.16 0.00 -0.03 0.00 0.00 54.58 51.89 1wix n ASN 126 Cb 0.31 -0.36 -0.04 0.00 -0.61 0.00 0.00 39.78 39.09 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 -0.07 0.00 0.00 4.11 -1.94 -3.15 114.58 113.54 1wix h GLU 128 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.23 1wix h GLU 128 Cb 0.66 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1wix h GLU 128 CO 0.34 0.50 0.00 1.63 0.07 0.00 0.00 179.01 181.55 1wix n LYS 129 N -4.83 0.33 -0.24 1.06 5.02 -1.26 -4.03 118.16 114.21 1wix n LYS 129 Ca -0.09 0.05 0.11 0.00 -2.02 0.00 0.00 58.31 56.36 1wix n LYS 129 Cb 0.30 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 34.01 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 -1.30 -0.06 -0.21 1.97 2.85 -1.19 0.22 118.16 120.45 1wix n LYS 130 Ca 0.11 1.05 0.01 0.00 -1.05 0.00 0.00 58.31 58.44 1wix n LYS 130 Cb 0.20 -1.67 0.12 0.00 -0.65 0.00 0.00 35.03 33.03 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 0.33 -0.49 -1.58 4.20 -1.82 0.24 115.11 115.98 1wix h GLN 131 Ca 0.43 -0.02 0.14 0.00 0.06 0.00 0.00 58.65 59.26 1wix h GLN 131 Cb 0.88 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.57 1wix h GLN 131 CO -0.66 0.22 0.54 1.49 -0.67 0.00 0.00 178.83 179.75 1wix h GLU 132 N 0.34 0.00 0.03 1.46 4.57 0.25 -1.53 114.58 119.69 1wix h GLU 132 Ca 0.32 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 58.16 1wix h GLU 132 Cb 0.45 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.00 1wix h GLU 132 CO -0.37 0.00 -1.91 0.72 -1.18 0.00 0.00 179.01 176.27 1wix n HIS 133 N -3.65 0.68 -0.35 0.92 8.25 0.62 -4.22 115.22 117.46 1wix n HIS 133 Ca 0.09 0.23 0.31 0.00 -0.26 0.00 0.00 57.72 58.10 1wix n HIS 133 Cb 0.74 -1.08 0.57 0.00 1.12 0.00 0.00 29.99 31.34 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 -0.63 0.11 -0.41 1.59 5.03 0.11 1.51 117.51 124.82 1wix h ILE 134 Ca -0.49 -0.04 -0.08 0.00 -0.12 0.00 0.00 64.86 64.13 1wix h ILE 134 Cb 1.63 -0.01 -0.02 0.00 -3.03 0.00 0.00 36.82 35.39 1wix h ILE 134 CO -0.18 0.02 -0.09 0.07 -0.68 0.00 0.00 178.15 177.29 1wix h LYS 135 N 0.11 0.72 0.00 2.37 2.10 -1.66 -2.24 116.57 117.97 1wix h LYS 135 Ca 0.81 -0.22 -0.00 0.00 -2.00 0.00 0.00 60.65 59.24 1wix h LYS 135 Cb 2.18 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 33.44 1wix h LYS 135 CO -0.65 0.79 -0.00 -0.91 -2.00 0.00 0.00 179.45 176.68 1wix h ASN 136 N 0.66 0.00 0.00 7.07 4.21 0.20 -2.53 115.58 125.19 1wix h ASN 136 Ca 0.12 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.63 1wix h ASN 136 Cb 0.54 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.74 1wix h ASN 136 CO 0.03 0.00 -0.00 0.40 -1.29 0.00 0.00 177.43 176.57 1wix h ILE 137 N 0.00 1.72 -0.06 2.81 5.03 -1.20 -3.23 117.51 122.57 1wix h ILE 137 Ca -0.00 -2.29 0.02 0.00 -0.12 0.00 0.00 64.86 62.47 1wix h ILE 137 Cb 0.04 3.25 -0.00 0.00 -3.03 0.00 0.00 36.82 37.07 1wix h ILE 137 CO 0.00 0.58 0.17 0.24 -0.68 0.00 0.00 178.15 178.47 1wix h MET 138 N -1.00 0.00 0.00 2.37 2.86 -1.38 0.12 114.93 117.90 1wix h MET 138 Ca -0.00 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.45 1wix h MET 138 Cb 0.96 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.59 1wix h MET 138 CO -0.00 0.00 -0.89 1.79 1.06 0.00 0.00 176.91 178.87 1wix h THR 139 N 0.00 1.58 -2.88 2.22 1.35 -1.54 -3.46 112.91 110.18 1wix h THR 139 Ca 0.03 -3.11 -0.36 0.00 -0.55 0.00 0.00 66.41 62.42 1wix h THR 139 Cb 0.37 2.70 0.21 0.00 -1.73 0.00 0.00 68.15 69.71 1wix h THR 139 CO -0.00 0.87 -0.17 0.18 -0.25 0.00 0.00 175.52 176.15 1wix n LEU 140 N -3.40 0.00 -4.74 3.87 4.77 0.43 -4.93 117.00 113.00 1wix n LEU 140 Ca 0.00 -0.86 -0.41 0.00 -0.03 0.00 0.00 56.01 54.71 1wix n LEU 140 Cb 0.87 -0.97 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 1wix n LEU 140 CO 0.46 -2.81 0.78 -0.70 -1.33 0.00 0.00 177.39 173.78 1wix s GLU 141 N -5.03 4.61 0.06 3.23 2.56 -1.26 -4.75 118.70 118.12 1wix s GLU 141 Ca 0.65 1.70 -0.11 0.00 0.00 0.00 0.00 54.97 57.21 1wix s GLU 141 Cb -0.11 -3.28 -0.02 0.00 2.00 0.00 0.00 34.13 32.71 1wix s GLU 141 CO 0.55 0.11 0.87 -1.91 -0.56 0.00 0.00 175.26 174.32 1wix n GLU 142 N 2.27 -0.15 -0.32 4.30 2.13 -1.26 0.19 120.64 127.80 1wix n GLU 142 Ca 0.02 0.86 0.17 0.00 0.66 0.00 0.00 57.16 58.87 1wix n GLU 142 Cb 0.46 -1.27 0.37 0.00 0.27 0.00 0.00 31.44 31.27 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 0.46 0.26 4.31 0.87 -2.01 -0.91 113.55 116.52 1wix h SER 143 Ca 0.06 0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1wix h SER 143 Cb 0.14 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1wix h SER 143 CO -0.33 -0.01 -0.13 0.58 -0.53 0.00 0.00 176.83 176.41 1wix h VAL 144 N 0.42 0.78 -1.19 2.23 2.07 0.18 -3.03 116.25 117.71 1wix h VAL 144 Ca 0.63 -0.61 0.37 0.00 0.82 0.00 0.00 66.70 67.92 1wix h VAL 144 Cb 1.26 1.11 -0.12 0.00 -1.52 0.00 0.00 31.29 32.02 1wix h VAL 144 CO -0.54 0.12 0.76 1.56 0.02 0.00 0.00 177.57 179.49 1wix h GLN 145 N -0.68 0.19 0.40 1.57 4.20 0.91 -0.28 115.11 121.42 1wix h GLN 145 Ca -0.04 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1wix h GLN 145 Cb 0.47 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1wix h GLN 145 CO 0.06 0.13 -0.23 1.25 -0.67 0.00 0.00 178.83 179.36 1wix h HIS 146 N 0.20 -0.62 -0.41 2.96 -0.00 -1.29 0.38 115.15 116.37 1wix h HIS 146 Ca 0.75 -0.01 0.07 0.00 -0.00 0.00 0.00 60.37 61.18 1wix h HIS 146 Cb 2.16 0.22 -0.06 0.00 -0.00 0.00 0.00 27.41 29.72 1wix h HIS 146 CO -0.01 -0.35 0.06 0.28 -0.00 0.00 0.00 177.93 177.92 1wix h VAL 147 N -0.59 0.76 -0.55 5.26 2.07 -1.25 0.47 116.25 122.42 1wix h VAL 147 Ca -0.05 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.42 1wix h VAL 147 Cb 0.47 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1wix h VAL 147 CO 0.06 0.03 0.37 0.58 0.02 0.00 0.00 177.57 178.63 1wix h VAL 148 N 0.19 1.10 0.07 2.57 2.07 -1.07 -1.78 116.25 119.40 1wix h VAL 148 Ca 0.20 -0.24 -0.24 0.00 0.82 0.00 0.00 66.70 67.24 1wix h VAL 148 Cb 0.26 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1wix h VAL 148 CO -0.28 0.13 -1.09 0.24 0.02 0.00 0.00 177.57 176.59 1wix h MET 149 N 0.69 0.27 -0.17 1.57 2.86 0.11 -3.32 114.93 116.94 1wix h MET 149 Ca 0.21 -0.38 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1wix h MET 149 Cb 0.00 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1wix h MET 149 CO -0.05 1.13 0.09 1.15 1.06 0.00 0.00 176.91 180.28 1wix h THR 150 N 0.11 1.11 -0.81 2.22 2.02 0.62 -3.05 112.91 115.14 1wix h THR 150 Ca -0.10 -0.32 0.14 0.00 0.77 0.00 0.00 66.41 66.90 1wix h THR 150 Cb 1.78 1.02 -0.14 0.00 -1.74 0.00 0.00 68.15 69.06 1wix h THR 150 CO 0.18 0.11 -0.34 0.00 0.37 0.00 0.00 175.52 175.84 1wix h ALA 151 N 0.97 0.15 -0.40 6.16 0.00 -1.45 0.65 119.26 125.35 1wix h ALA 151 Ca 0.06 0.24 0.08 0.00 0.00 0.00 0.00 54.91 55.29 1wix h ALA 151 Cb 0.09 0.86 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 1wix h ALA 151 CO -0.01 -0.60 -0.27 0.82 0.00 0.00 0.00 179.25 179.18 1wix h ILE 152 N -0.07 0.30 -0.78 0.00 5.03 -1.67 0.15 117.51 120.48 1wix h ILE 152 Ca 0.31 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 65.13 1wix h ILE 152 Cb 0.58 0.30 -0.07 0.00 -3.03 0.00 0.00 36.82 34.61 1wix h ILE 152 CO -0.85 0.00 0.44 1.56 -0.68 0.00 0.00 178.15 178.62 1wix h GLN 153 N -0.21 0.75 0.00 2.37 1.08 -0.94 0.12 115.11 118.28 1wix h GLN 153 Ca 0.18 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.29 1wix h GLN 153 Cb 0.50 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 1wix h GLN 153 CO -0.52 0.49 -0.21 1.49 -0.95 0.00 0.00 178.83 179.13 1wix h GLU 154 N 0.77 0.00 0.00 1.46 4.81 0.30 -1.75 114.58 120.17 1wix h GLU 154 Ca 0.36 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.49 1wix h GLU 154 Cb 0.29 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1wix h GLU 154 CO -0.22 0.21 -0.49 -0.07 -0.73 0.00 0.00 179.01 177.71 1wix h LEU 155 N 0.00 0.00 0.00 1.64 3.38 0.12 -1.57 115.31 118.88 1wix h LEU 155 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1wix h LEU 155 Cb 0.49 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1wix h LEU 155 CO 0.03 0.49 -1.39 0.24 0.09 0.00 0.00 178.44 177.90 1wix h MET 156 N 0.00 0.00 0.03 1.13 2.86 -0.85 -3.05 114.93 115.05 1wix h MET 156 Ca -0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 1wix h MET 156 Cb 1.06 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.73 1wix h MET 156 CO 0.06 0.62 -0.46 0.77 1.06 0.00 0.00 176.91 178.97 1wix h SER 157 N 0.00 0.36 -0.27 1.22 0.02 -1.28 -3.30 113.55 110.30 1wix h SER 157 Ca -0.17 -0.82 -0.09 0.00 -0.84 0.00 0.00 61.79 59.87 1wix h SER 157 Cb 1.85 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 64.26 1wix h SER 157 CO 0.09 1.14 -0.12 0.11 -1.14 0.00 0.00 176.83 176.91 1wix h LYS 158 N -0.37 0.68 -6.27 3.45 1.79 -1.44 -3.45 116.57 110.95 1wix h LYS 158 Ca -0.06 -0.22 -0.57 0.00 -2.18 0.00 0.00 60.65 57.61 1wix h LYS 158 Cb 1.23 -0.06 0.19 0.00 -1.58 0.00 0.00 32.23 32.01 1wix h LYS 158 CO 0.09 0.78 -0.97 0.45 -1.08 0.00 0.00 179.45 178.72 1wix n SER 159 N -4.17 -3.07 -3.83 0.86 2.88 -1.15 -4.43 113.62 100.70 1wix n SER 159 Ca 0.01 0.54 -0.12 0.00 -1.33 0.00 0.00 58.87 57.97 1wix n SER 159 Cb 0.35 -0.99 -0.13 0.00 -0.75 0.00 0.00 64.21 62.69 1wix n SER 159 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wix s GLY 160 N -1.19 -0.07 1.00 0.46 0.00 -1.26 -4.97 107.32 101.30 1wix s GLY 160 Ca 0.57 0.28 -0.12 0.00 0.00 0.00 0.00 44.72 45.45 1wix s GLY 160 CO 0.66 0.27 1.09 2.56 0.00 0.00 0.00 173.10 177.68 1wix s PRO 161 N 0.11 0.43 -0.14 2.90 0.04 -1.26 -3.28 135.00 133.81 1wix s PRO 161 Ca -0.01 0.52 -0.15 0.00 0.04 0.00 0.00 61.00 61.40 1wix s PRO 161 Cb -0.01 -1.74 -0.05 0.00 0.04 0.00 0.00 34.50 32.74 1wix s PRO 161 CO -0.00 -2.73 -0.29 0.45 0.04 0.00 0.00 177.00 174.46 1wix n SER 162 N -4.18 1.77 -3.64 6.66 2.88 -1.26 -4.94 113.62 110.91 1wix n SER 162 Ca 0.05 0.29 -0.11 0.00 -1.33 0.00 0.00 58.87 57.78 1wix n SER 162 Cb 0.57 -0.67 -0.07 0.00 -0.75 0.00 0.00 64.21 63.28 1wix n SER 162 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wix s SER 163 N -5.88 -0.82 0.00 -3.46 1.04 -1.26 -5.24 113.70 98.08 1wix s SER 163 Ca -0.24 1.44 0.00 0.00 0.48 0.00 0.00 55.95 57.63 1wix s SER 163 Cb 0.03 1.39 0.00 0.00 0.10 0.00 0.00 66.02 67.54 1wix s SER 163 CO 0.36 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.95