#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4ayk s LEU 2 N 0.00 4.05 -0.15 1.34 1.43 -1.26 -5.07 118.68 119.02 4ayk s LEU 2 Ca 0.00 0.22 -0.15 0.00 -1.03 0.00 0.00 54.13 53.17 4ayk s LEU 2 Cb 0.00 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 4ayk s LEU 2 CO 0.00 0.25 0.36 0.42 0.23 0.00 0.00 176.35 177.61 4ayk s THR 3 N -0.08 5.26 0.07 5.49 -4.23 -1.26 -5.05 115.64 115.84 4ayk s THR 3 Ca 0.08 0.68 -0.30 0.00 -1.18 0.00 0.00 61.69 60.97 4ayk s THR 3 Cb -0.12 -3.70 -0.05 0.00 1.34 0.00 0.00 72.50 69.97 4ayk s THR 3 CO 0.01 0.36 1.10 -0.70 -0.54 0.00 0.00 174.62 174.84 4ayk s GLU 4 N 0.58 4.52 0.00 3.99 2.12 -1.26 -3.24 118.70 125.41 4ayk s GLU 4 Ca 0.20 1.63 0.00 0.00 0.36 0.00 0.00 54.97 57.16 4ayk s GLU 4 Cb -0.14 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 30.88 4ayk s GLU 4 CO 0.06 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 4ayk n GLY 5 N 2.84 2.92 2.55 -1.50 0.00 -1.26 -4.87 105.19 105.87 4ayk n GLY 5 Ca 0.06 -0.84 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 4ayk n GLY 5 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 4ayk n ASN 6 N 0.14 -1.84 -4.59 1.61 3.02 -1.25 -5.10 115.26 107.26 4ayk n ASN 6 Ca 0.00 -2.96 -0.42 0.00 -0.03 0.00 0.00 54.58 51.18 4ayk n ASN 6 Cb 0.00 0.84 -0.03 0.00 -0.61 0.00 0.00 39.78 39.97 4ayk n ASN 6 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 4ayk n PRO 7 N 1.93 1.74 -2.28 3.52 -0.02 -1.20 -4.92 135.00 133.77 4ayk n PRO 7 Ca 0.16 0.41 -0.25 0.00 -2.02 0.00 0.00 63.50 61.80 4ayk n PRO 7 Cb 0.57 -3.27 0.06 0.00 -0.02 0.00 0.00 33.50 30.84 4ayk n PRO 7 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 4ayk s ARG 8 N 6.80 2.35 -0.11 -0.52 0.52 -1.26 -4.76 118.95 121.97 4ayk s ARG 8 Ca 1.01 -0.28 -0.28 0.00 -0.52 0.00 0.00 55.73 55.66 4ayk s ARG 8 Cb -0.31 -2.22 -0.02 0.00 0.52 0.00 0.00 34.95 32.92 4ayk s ARG 8 CO 0.33 -1.09 0.93 -1.58 0.02 0.00 0.00 175.30 173.91 4ayk s TRP 9 N -3.15 3.51 -0.61 -0.53 0.52 -1.26 -4.91 118.94 112.52 4ayk s TRP 9 Ca 0.59 1.49 0.25 0.00 0.02 0.00 0.00 56.10 58.45 4ayk s TRP 9 Cb -0.11 -3.10 0.59 0.00 -1.15 0.00 0.00 33.47 29.71 4ayk s TRP 9 CO 0.44 -0.17 1.67 0.93 0.02 0.00 0.00 176.95 179.84 4ayk h GLU 10 N 7.09 0.00 -6.84 4.98 5.08 -1.98 -3.45 114.58 119.47 4ayk h GLU 10 Ca -0.33 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.56 4ayk h GLU 10 Cb 1.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 4ayk h GLU 10 CO 0.83 0.00 0.24 -0.65 -1.00 0.00 0.00 179.01 178.43 4ayk s GLN 11 N -3.15 4.27 0.00 2.33 -0.21 -1.26 -4.95 119.66 116.70 4ayk s GLN 11 Ca 0.09 1.02 0.24 0.00 0.02 0.00 0.00 55.36 56.73 4ayk s GLN 11 Cb 0.10 -2.54 0.30 0.00 1.00 0.00 0.00 33.01 31.87 4ayk s GLN 11 CO 0.63 0.18 1.28 0.25 -2.12 0.00 0.00 175.29 175.51 4ayk n THR 12 N 0.01 0.00 -4.98 -0.19 -2.24 -1.26 -4.83 114.28 100.79 4ayk n THR 12 Ca 0.03 -0.21 -0.29 0.00 -2.27 0.00 0.00 64.05 61.31 4ayk n THR 12 Cb 0.52 0.91 -0.17 0.00 -2.10 0.00 0.00 70.33 69.50 4ayk n THR 12 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 4ayk s HIS 13 N -2.49 2.13 0.14 4.78 3.76 -1.26 -2.98 115.29 119.37 4ayk s HIS 13 Ca 0.21 -0.85 0.11 0.00 -0.15 0.00 0.00 55.06 54.38 4ayk s HIS 13 Cb 0.19 -1.46 -0.04 0.00 1.11 0.00 0.00 32.58 32.37 4ayk s HIS 13 CO 0.55 -0.36 -0.25 -0.51 -0.85 0.00 0.00 174.74 173.31 4ayk s LEU 14 N 0.46 2.38 0.16 0.89 1.43 -0.31 -4.97 118.68 118.72 4ayk s LEU 14 Ca -0.17 -0.74 0.08 0.00 -1.03 0.00 0.00 54.13 52.27 4ayk s LEU 14 Cb -0.17 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 4ayk s LEU 14 CO 0.07 0.17 -0.18 0.42 0.23 0.00 0.00 176.35 177.06 4ayk s THR 15 N -1.15 1.75 0.06 5.49 -4.23 -1.26 -2.15 115.64 114.15 4ayk s THR 15 Ca 0.15 -1.88 -0.04 0.00 -1.18 0.00 0.00 61.69 58.75 4ayk s THR 15 Cb -0.10 -1.79 -0.03 0.00 1.34 0.00 0.00 72.50 71.93 4ayk s THR 15 CO 0.07 -0.32 0.05 -0.72 -0.54 0.00 0.00 174.62 173.16 4ayk s TYR 16 N -2.03 0.38 -0.14 3.99 -0.85 -1.10 -1.49 117.35 116.12 4ayk s TYR 16 Ca 0.14 -0.87 -0.07 0.00 -0.52 0.00 0.00 57.07 55.75 4ayk s TYR 16 Cb -0.06 -0.27 0.05 0.00 0.38 0.00 0.00 41.96 42.07 4ayk s TYR 16 CO 0.06 -0.43 0.33 0.50 -1.52 0.00 0.00 175.55 174.49 4ayk s ARG 17 N -3.80 0.30 -0.13 -3.49 3.52 -1.04 -2.46 118.95 111.85 4ayk s ARG 17 Ca 0.05 0.65 -0.23 0.00 -0.13 0.00 0.00 55.73 56.08 4ayk s ARG 17 Cb 0.06 -0.07 -0.03 0.00 -1.56 0.00 0.00 34.95 33.36 4ayk s ARG 17 CO -0.10 -0.16 0.68 0.42 -0.81 0.00 0.00 175.30 175.34 4ayk s ILE 18 N 1.30 5.02 0.16 4.11 1.01 -1.26 -2.57 121.20 128.97 4ayk s ILE 18 Ca -0.09 1.36 -0.10 0.00 0.00 0.00 0.00 60.65 61.82 4ayk s ILE 18 Cb -0.09 -4.01 0.01 0.00 0.01 0.00 0.00 42.46 38.38 4ayk s ILE 18 CO -0.10 0.18 1.56 -0.33 0.00 0.00 0.00 174.94 176.25 4ayk h GLU 19 N 7.06 1.02 -2.31 2.79 5.08 -1.68 -3.47 114.58 123.06 4ayk h GLU 19 Ca -0.36 -0.42 0.01 0.00 -1.00 0.00 0.00 59.36 57.59 4ayk h GLU 19 Cb 1.17 -0.04 -0.17 0.00 0.50 0.00 0.00 28.75 30.21 4ayk h GLU 19 CO 0.77 1.10 0.32 0.54 -1.00 0.00 0.00 179.01 180.74 4ayk s ASN 20 N -6.70 -0.52 -0.15 1.42 4.22 -1.26 -5.11 114.94 106.84 4ayk s ASN 20 Ca -0.11 0.29 -0.08 0.00 -2.14 0.00 0.00 52.86 50.82 4ayk s ASN 20 Cb 0.12 0.49 -0.04 0.00 1.28 0.00 0.00 41.25 43.10 4ayk s ASN 20 CO 0.87 -0.69 0.12 -0.31 -2.04 0.00 0.00 177.10 175.06 4ayk s TYR 21 N -2.41 3.50 0.34 1.54 2.02 -1.26 -4.74 117.35 116.34 4ayk s TYR 21 Ca -0.02 0.42 -0.27 0.00 -0.37 0.00 0.00 57.07 56.82 4ayk s TYR 21 Cb -0.01 -2.01 -0.09 0.00 -0.40 0.00 0.00 41.96 39.45 4ayk s TYR 21 CO -0.03 0.55 1.19 -0.08 -1.57 0.00 0.00 175.55 175.62 4ayk s THR 22 N -0.51 3.11 -0.61 -0.71 -1.32 -1.26 -4.88 115.64 109.47 4ayk s THR 22 Ca 0.12 1.04 0.14 0.00 -1.21 0.00 0.00 61.69 61.79 4ayk s THR 22 Cb -0.12 -3.63 0.14 0.00 -1.51 0.00 0.00 72.50 67.38 4ayk s THR 22 CO 0.02 0.19 1.45 -0.81 -2.21 0.00 0.00 174.62 173.25 4ayk n PRO 23 N 0.62 0.09 -0.37 7.08 -0.04 -1.26 -2.63 135.00 138.48 4ayk n PRO 23 Ca 0.01 0.50 -0.02 0.00 -0.04 0.00 0.00 63.50 63.95 4ayk n PRO 23 Cb 0.45 -1.74 0.11 0.00 -0.04 0.00 0.00 33.50 32.28 4ayk n PRO 23 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 4ayk h ASP 24 N 0.00 1.15 -4.85 3.54 3.32 -1.97 -3.43 116.42 114.18 4ayk h ASP 24 Ca 0.00 -0.04 -0.21 0.00 0.02 0.00 0.00 57.03 56.80 4ayk h ASP 24 Cb 0.10 -0.29 -0.21 0.00 0.22 0.00 0.00 39.33 39.15 4ayk h ASP 24 CO 0.00 0.84 -0.71 -0.76 -1.72 0.00 0.00 179.24 176.89 4ayk s LEU 25 N -10.09 2.24 0.00 1.55 1.43 -1.08 -5.06 118.68 107.67 4ayk s LEU 25 Ca -0.13 -0.50 -0.13 0.00 -1.03 0.00 0.00 54.13 52.34 4ayk s LEU 25 Cb 0.18 -0.01 0.20 0.00 0.03 0.00 0.00 46.19 46.59 4ayk s LEU 25 CO 0.82 -0.25 0.60 -0.81 0.23 0.00 0.00 176.35 176.94 4ayk n PRO 26 N 1.61 -2.92 0.03 1.29 -0.04 -1.26 -4.53 135.00 129.18 4ayk n PRO 26 Ca -0.23 -0.98 -0.13 0.00 -0.04 0.00 0.00 63.50 62.12 4ayk n PRO 26 Cb 0.55 -1.06 -0.14 0.00 -0.04 0.00 0.00 33.50 32.82 4ayk n PRO 26 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 4ayk h ARG 27 N 0.00 0.13 -0.32 0.54 0.11 -1.97 -3.10 114.38 109.76 4ayk h ARG 27 Ca -0.24 -0.22 0.05 0.00 0.10 0.00 0.00 59.98 59.67 4ayk h ARG 27 Cb 0.78 0.08 -0.05 0.00 1.11 0.00 0.00 29.97 31.89 4ayk h ARG 27 CO 0.15 0.91 0.04 0.00 0.10 0.00 0.00 179.97 181.18 4ayk h ALA 28 N 0.71 0.32 -0.31 0.08 0.00 -1.98 1.79 119.26 119.87 4ayk h ALA 28 Ca -0.22 0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 4ayk h ALA 28 Cb 1.97 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.87 4ayk h ALA 28 CO 0.13 -0.37 -0.51 -0.44 0.00 0.00 0.00 179.25 178.05 4ayk h ASP 29 N 0.15 0.99 -0.22 0.00 3.32 -1.95 -2.22 116.42 116.49 4ayk h ASP 29 Ca 0.15 -0.52 -0.14 0.00 0.02 0.00 0.00 57.03 56.55 4ayk h ASP 29 Cb 0.19 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.45 4ayk h ASP 29 CO -0.22 1.32 -0.39 0.58 -1.72 0.00 0.00 179.24 178.81 4ayk h VAL 30 N 0.70 1.32 -0.57 -1.35 2.07 -1.35 -2.56 116.25 114.51 4ayk h VAL 30 Ca 0.02 -1.60 0.01 0.00 0.82 0.00 0.00 66.70 65.95 4ayk h VAL 30 Cb 1.12 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 4ayk h VAL 30 CO 0.12 0.50 0.37 -0.78 0.02 0.00 0.00 177.57 177.80 4ayk h ASP 31 N 0.36 0.62 -0.36 0.57 1.82 0.27 -1.22 116.42 118.48 4ayk h ASP 31 Ca 0.01 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 4ayk h ASP 31 Cb 0.99 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.83 4ayk h ASP 31 CO 0.09 0.45 0.23 -0.74 -1.61 0.00 0.00 179.24 177.66 4ayk h HIS 32 N 0.74 0.46 -0.45 0.28 2.76 -1.36 0.75 115.15 118.32 4ayk h HIS 32 Ca 0.21 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.40 4ayk h HIS 32 Cb -0.06 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.73 4ayk h HIS 32 CO -0.04 0.30 0.30 0.00 -1.30 0.00 0.00 177.93 177.18 4ayk h ALA 33 N 1.12 0.57 -0.20 5.26 0.00 -1.04 0.80 119.26 125.77 4ayk h ALA 33 Ca 0.13 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 4ayk h ALA 33 Cb -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.57 4ayk h ALA 33 CO -0.03 0.02 -0.59 0.82 0.00 0.00 0.00 179.25 179.47 4ayk h ILE 34 N 0.61 1.30 -0.34 0.00 1.08 -0.89 -2.53 117.51 116.73 4ayk h ILE 34 Ca 0.17 -1.80 -0.15 0.00 -0.39 0.00 0.00 64.86 62.68 4ayk h ILE 34 Cb -0.06 1.87 -0.00 0.00 -3.07 0.00 0.00 36.82 35.55 4ayk h ILE 34 CO -0.04 0.57 -0.38 -0.08 -0.69 0.00 0.00 178.15 177.53 4ayk h GLU 35 N 0.49 0.86 -0.54 2.37 4.81 0.78 -2.79 114.58 120.55 4ayk h GLU 35 Ca -0.02 -0.47 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 4ayk h GLU 35 Cb 1.21 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 4ayk h GLU 35 CO 0.13 1.11 0.28 -0.22 -0.73 0.00 0.00 179.01 179.57 4ayk h LYS 36 N 0.65 0.74 -0.41 1.92 3.64 0.59 -2.46 116.57 121.25 4ayk h LYS 36 Ca 0.05 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 4ayk h LYS 36 Cb 0.97 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 4ayk h LYS 36 CO 0.09 0.56 0.13 0.00 -2.27 0.00 0.00 179.45 177.97 4ayk h ALA 37 N 1.56 0.53 -0.94 5.00 0.00 -1.23 -2.60 119.26 121.59 4ayk h ALA 37 Ca 0.19 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.94 4ayk h ALA 37 Cb 0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 4ayk h ALA 37 CO -0.03 0.17 0.61 0.74 0.00 0.00 0.00 179.25 180.74 4ayk h PHE 38 N 0.51 1.19 -0.95 0.00 0.04 -1.19 -2.19 116.94 114.35 4ayk h PHE 38 Ca 0.13 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.92 4ayk h PHE 38 Cb 0.25 -0.40 -0.05 0.00 2.20 0.00 0.00 35.95 37.95 4ayk h PHE 38 CO 0.01 0.76 0.58 1.96 -0.60 0.00 0.00 178.31 181.02 4ayk h GLN 39 N 1.27 1.28 -0.40 1.51 7.50 -1.23 0.21 115.11 125.25 4ayk h GLN 39 Ca 0.34 -0.11 0.01 0.00 0.50 0.00 0.00 58.65 59.39 4ayk h GLN 39 Cb -0.13 -0.27 -0.02 0.00 0.05 0.00 0.00 27.48 27.11 4ayk h GLN 39 CO -0.07 0.88 0.25 -0.07 -1.50 0.00 0.00 178.83 178.33 4ayk h LEU 40 N 1.30 0.43 -0.28 1.46 3.38 -1.02 0.54 115.31 121.11 4ayk h LEU 40 Ca 0.34 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.12 4ayk h LEU 40 Cb -0.08 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.57 4ayk h LEU 40 CO -0.07 0.31 -0.54 -0.50 0.09 0.00 0.00 178.44 177.74 4ayk h TRP 41 N 0.52 1.09 -0.51 1.13 4.06 -1.25 -3.22 115.95 117.76 4ayk h TRP 41 Ca 0.15 -0.39 -0.11 0.00 2.06 0.00 0.00 58.89 60.60 4ayk h TRP 41 Cb -0.04 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 27.90 4ayk h TRP 41 CO -0.06 1.22 -0.12 1.03 -3.56 0.00 0.00 178.44 176.95 4ayk h SER 42 N 0.64 0.96 -0.36 -3.49 0.87 -0.21 -2.68 113.55 109.29 4ayk h SER 42 Ca 0.01 -0.32 0.11 0.00 -1.23 0.00 0.00 61.79 60.36 4ayk h SER 42 Cb 1.15 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 4ayk h SER 42 CO 0.12 1.09 0.26 0.78 -0.53 0.00 0.00 176.83 178.55 4ayk h ASN 43 N 0.86 0.00 -0.38 6.23 2.35 0.06 -1.55 115.58 123.14 4ayk h ASN 43 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 4ayk h ASN 43 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 4ayk h ASN 43 CO 0.05 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 177.16 4ayk n VAL 44 N -4.41 1.24 -3.87 2.81 0.24 -1.14 -4.98 118.33 108.22 4ayk n VAL 44 Ca 0.06 -1.14 -0.11 0.00 -2.04 0.00 0.00 64.34 61.10 4ayk n VAL 44 Cb 0.45 0.37 -0.10 0.00 -1.47 0.00 0.00 33.84 33.08 4ayk n VAL 44 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 4ayk s THR 45 N -1.32 0.08 -2.00 3.34 -4.23 -0.58 -4.35 115.64 106.58 4ayk s THR 45 Ca 0.30 -0.70 0.15 0.00 -1.18 0.00 0.00 61.69 60.25 4ayk s THR 45 Cb 0.18 -0.44 0.41 0.00 1.34 0.00 0.00 72.50 73.98 4ayk s THR 45 CO 0.17 -0.38 1.30 -0.81 -0.54 0.00 0.00 174.62 174.36 4ayk n PRO 46 N 1.43 0.58 -2.31 3.99 -0.04 -1.26 -4.63 135.00 132.75 4ayk n PRO 46 Ca -0.23 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.87 4ayk n PRO 46 Cb 0.56 -1.39 -0.01 0.00 -0.04 0.00 0.00 33.50 32.62 4ayk n PRO 46 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 4ayk s LEU 47 N -1.78 3.92 0.10 1.53 1.43 -1.26 -4.96 118.68 117.66 4ayk s LEU 47 Ca 0.22 2.20 0.08 0.00 -1.03 0.00 0.00 54.13 55.60 4ayk s LEU 47 Cb 0.10 -4.38 -0.03 0.00 0.03 0.00 0.00 46.19 41.91 4ayk s LEU 47 CO 0.17 -0.96 -0.20 0.42 0.23 0.00 0.00 176.35 176.00 4ayk s THR 48 N -1.67 1.66 0.12 5.49 -4.23 -1.16 -4.64 115.64 111.22 4ayk s THR 48 Ca 0.66 -1.51 0.08 0.00 -1.18 0.00 0.00 61.69 59.74 4ayk s THR 48 Cb -0.25 -1.51 -0.04 0.00 1.34 0.00 0.00 72.50 72.04 4ayk s THR 48 CO 0.30 -0.06 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.77 4ayk s PHE 49 N -1.16 1.69 -0.19 3.99 0.08 -1.26 -1.16 117.98 119.97 4ayk s PHE 49 Ca 0.06 -0.46 -0.11 0.00 0.12 0.00 0.00 56.93 56.54 4ayk s PHE 49 Cb -0.10 -0.89 0.06 0.00 -0.57 0.00 0.00 43.02 41.52 4ayk s PHE 49 CO 0.04 0.22 0.47 0.99 -0.10 0.00 0.00 175.22 176.84 4ayk s THR 50 N -1.59 -0.03 0.35 0.64 2.01 -0.91 -4.97 115.64 111.14 4ayk s THR 50 Ca 0.09 0.08 -0.26 0.00 0.31 0.00 0.00 61.69 61.90 4ayk s THR 50 Cb -0.08 -0.69 -0.09 0.00 0.01 0.00 0.00 72.50 71.65 4ayk s THR 50 CO 0.05 0.03 1.01 -0.75 -0.69 0.00 0.00 174.62 174.27 4ayk s LYS 51 N 1.46 4.42 -0.04 4.92 2.20 -1.26 -2.70 119.74 128.75 4ayk s LYS 51 Ca -0.10 1.49 0.04 0.00 -0.36 0.00 0.00 55.97 57.04 4ayk s LYS 51 Cb -0.08 -2.77 -0.00 0.00 -1.51 0.00 0.00 37.83 33.47 4ayk s LYS 51 CO -0.14 0.10 -0.15 0.14 -0.36 0.00 0.00 175.35 174.94 4ayk s VAL 52 N -1.55 1.26 -1.10 4.02 -7.23 -1.03 -4.92 120.40 109.86 4ayk s VAL 52 Ca 0.52 -0.62 0.23 0.00 -1.81 0.00 0.00 61.98 60.30 4ayk s VAL 52 Cb -0.22 -1.09 -0.10 0.00 0.56 0.00 0.00 36.38 35.53 4ayk s VAL 52 CO 0.28 0.37 1.15 -0.24 -0.31 0.00 0.00 175.10 176.36 4ayk n SER 53 N 3.19 0.86 -3.94 4.85 2.88 -1.26 -4.66 113.62 115.53 4ayk n SER 53 Ca -0.18 -0.72 -0.09 0.00 -1.33 0.00 0.00 58.87 56.55 4ayk n SER 53 Cb 0.53 0.62 -0.09 0.00 -0.75 0.00 0.00 64.21 64.53 4ayk n SER 53 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 4ayk s GLU 54 N -2.95 0.70 0.00 -1.46 2.02 -1.26 -5.12 118.70 110.64 4ayk s GLU 54 Ca 0.11 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 54.14 4ayk s GLU 54 Cb 0.17 0.27 0.00 0.00 0.10 0.00 0.00 34.13 34.67 4ayk s GLU 54 CO 0.77 -0.19 0.00 0.41 0.02 0.00 0.00 175.26 176.27 4ayk n GLY 55 N 0.25 -1.23 3.87 -1.39 0.00 -1.26 -4.94 105.19 100.49 4ayk n GLY 55 Ca -0.16 -1.61 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 4ayk n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 4ayk s GLN 56 N -1.71 3.46 0.06 1.61 -0.21 -1.26 -5.06 119.66 116.55 4ayk s GLN 56 Ca 0.00 0.69 0.04 0.00 0.02 0.00 0.00 55.36 56.11 4ayk s GLN 56 Cb 0.00 -2.07 -0.03 0.00 1.00 0.00 0.00 33.01 31.91 4ayk s GLN 56 CO 0.00 -0.66 -0.11 0.00 -2.12 0.00 0.00 175.29 172.40 4ayk s ALA 57 N -3.21 0.91 0.24 6.09 0.00 -1.26 -4.99 121.76 119.53 4ayk s ALA 57 Ca 0.56 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 51.55 4ayk s ALA 57 Cb -0.11 -0.04 0.23 0.00 0.00 0.00 0.00 23.12 23.21 4ayk s ALA 57 CO 0.54 0.08 1.92 -0.44 0.00 0.00 0.00 175.76 177.86 4ayk h ASP 58 N 4.39 1.09 -3.08 0.00 3.32 -1.66 -3.40 116.42 117.08 4ayk h ASP 58 Ca -0.39 -0.03 -0.67 0.00 0.02 0.00 0.00 57.03 55.97 4ayk h ASP 58 Cb 1.20 -0.27 -0.35 0.00 0.22 0.00 0.00 39.33 40.13 4ayk h ASP 58 CO 0.40 0.79 -0.85 -0.63 -1.72 0.00 0.00 179.24 177.23 4ayk s ILE 59 N -6.12 2.12 -0.18 0.35 1.01 -0.56 -4.78 121.20 113.05 4ayk s ILE 59 Ca -0.13 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 59.51 4ayk s ILE 59 Cb 0.17 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 4ayk s ILE 59 CO 0.81 0.53 0.09 -0.04 0.00 0.00 0.00 174.94 176.33 4ayk s MET 60 N 1.30 3.94 -0.13 2.79 -1.94 -1.26 -2.50 119.30 121.50 4ayk s MET 60 Ca 0.05 -0.28 -0.01 0.00 -1.71 0.00 0.00 55.69 53.74 4ayk s MET 60 Cb -0.13 -3.26 -0.02 0.00 2.01 0.00 0.00 34.83 33.43 4ayk s MET 60 CO -0.12 0.36 -0.09 0.42 -0.01 0.00 0.00 175.02 175.58 4ayk s ILE 61 N 0.14 3.47 0.08 2.53 1.01 -1.06 -1.07 121.20 126.30 4ayk s ILE 61 Ca 0.07 -0.52 -0.07 0.00 0.00 0.00 0.00 60.65 60.12 4ayk s ILE 61 Cb -0.12 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.87 4ayk s ILE 61 CO -0.00 0.52 0.15 -0.94 0.00 0.00 0.00 174.94 174.67 4ayk s SER 62 N 0.15 0.19 -0.06 3.58 1.04 -1.07 -1.54 113.70 115.99 4ayk s SER 62 Ca -0.04 -0.73 0.04 0.00 0.48 0.00 0.00 55.95 55.70 4ayk s SER 62 Cb -0.14 0.31 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 4ayk s SER 62 CO 0.04 -0.71 -0.19 -0.36 0.98 0.00 0.00 173.24 173.00 4ayk s PHE 63 N -3.88 2.58 0.14 5.02 0.40 -1.26 -2.16 117.98 118.83 4ayk s PHE 63 Ca 0.06 -0.48 0.04 0.00 -0.60 0.00 0.00 56.93 55.95 4ayk s PHE 63 Cb 0.05 -1.64 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 4ayk s PHE 63 CO -0.11 -0.05 -0.10 0.14 0.70 0.00 0.00 175.22 175.81 4ayk s VAL 64 N -0.33 1.10 -0.03 -0.44 -7.23 -1.08 -4.94 120.40 107.44 4ayk s VAL 64 Ca 0.02 -2.04 0.05 0.00 -1.81 0.00 0.00 61.98 58.19 4ayk s VAL 64 Cb -0.13 -1.82 -0.01 0.00 0.56 0.00 0.00 36.38 34.98 4ayk s VAL 64 CO 0.02 -0.77 -0.17 -0.13 -0.31 0.00 0.00 175.10 173.75 4ayk s ARG 65 N -3.76 1.57 1.18 4.82 0.52 -1.26 -2.35 118.95 119.68 4ayk s ARG 65 Ca 0.16 -0.59 0.00 0.00 -0.52 0.00 0.00 55.73 54.78 4ayk s ARG 65 Cb 0.03 -1.43 0.00 0.00 0.52 0.00 0.00 34.95 34.07 4ayk s ARG 65 CO -0.00 0.28 0.00 0.41 0.02 0.00 0.00 175.30 176.01 4ayk n GLY 66 N 2.97 0.95 3.72 -3.53 0.00 -1.26 -4.35 105.19 103.68 4ayk n GLY 66 Ca -0.17 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 4ayk n GLY 66 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 4ayk s ASP 67 N -4.00 6.70 -0.35 1.61 -1.08 -1.26 -3.99 116.67 114.30 4ayk s ASP 67 Ca 0.00 2.49 0.13 0.00 -0.52 0.00 0.00 52.55 54.65 4ayk s ASP 67 Cb 0.00 -2.59 0.45 0.00 -1.46 0.00 0.00 42.92 39.32 4ayk s ASP 67 CO 0.00 -0.74 1.05 0.00 0.52 0.00 0.00 175.17 176.00 4ayk n HIS 68 N 3.87 2.12 -3.42 -5.34 1.44 -1.26 -4.95 115.22 107.68 4ayk n HIS 68 Ca 0.12 -2.75 -0.17 0.00 -2.01 0.00 0.00 57.72 52.91 4ayk n HIS 68 Cb 0.40 -0.25 0.08 0.00 0.12 0.00 0.00 29.99 30.34 4ayk n HIS 68 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 4ayk n ARG 69 N -0.35 -5.71 -4.22 -1.40 1.74 -1.26 -5.02 116.66 100.44 4ayk n ARG 69 Ca 0.23 0.84 -0.13 0.00 -0.77 0.00 0.00 57.85 58.02 4ayk n ARG 69 Cb 0.78 -5.81 -0.10 0.00 -1.02 0.00 0.00 32.46 26.31 4ayk n ARG 69 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 4ayk s ASP 70 N -4.18 0.65 0.00 0.55 1.11 -1.26 -5.02 116.67 108.51 4ayk s ASP 70 Ca 0.08 -1.30 0.14 0.00 0.18 0.00 0.00 52.55 51.66 4ayk s ASP 70 Cb -0.01 0.26 0.43 0.00 1.07 0.00 0.00 42.92 44.66 4ayk s ASP 70 CO 0.74 -0.73 1.34 0.59 1.18 0.00 0.00 175.17 178.29 4ayk n ASN 71 N -0.27 2.07 -3.27 0.27 5.03 -1.26 -4.35 115.26 113.49 4ayk n ASN 71 Ca -0.02 -1.94 -0.25 0.00 0.87 0.00 0.00 54.58 53.24 4ayk n ASN 71 Cb 0.65 -0.24 -0.08 0.00 -1.02 0.00 0.00 39.78 39.10 4ayk n ASN 71 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 4ayk n SER 72 N 0.62 0.58 -4.77 6.41 7.64 -1.26 -5.12 113.62 117.72 4ayk n SER 72 Ca 0.14 -2.75 -0.37 0.00 1.01 0.00 0.00 58.87 56.91 4ayk n SER 72 Cb 0.34 -0.63 -0.01 0.00 -1.01 0.00 0.00 64.21 62.89 4ayk n SER 72 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 4ayk s PRO 73 N -1.15 3.80 0.44 1.43 0.04 -1.26 -4.97 135.00 133.33 4ayk s PRO 73 Ca 0.35 1.73 -0.22 0.00 0.04 0.00 0.00 61.00 62.90 4ayk s PRO 73 Cb 0.14 -2.40 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 4ayk s PRO 73 CO -0.11 -0.51 1.01 -0.06 0.04 0.00 0.00 177.00 177.37 4ayk s PHE 74 N -1.58 3.19 -0.95 0.56 0.40 -1.26 -4.96 117.98 113.39 4ayk s PHE 74 Ca 0.63 1.62 -0.01 0.00 -0.60 0.00 0.00 56.93 58.57 4ayk s PHE 74 Cb -0.27 -3.01 0.29 0.00 0.51 0.00 0.00 43.02 40.53 4ayk s PHE 74 CO 0.33 -0.52 1.23 -3.47 0.70 0.00 0.00 175.22 173.49 4ayk n ASP 75 N -0.57 5.55 0.00 1.36 -0.08 -1.24 -4.65 116.55 116.93 4ayk n ASP 75 Ca 0.07 -3.40 0.00 0.00 -1.51 0.00 0.00 54.79 49.95 4ayk n ASP 75 Cb 0.52 -1.09 0.00 0.00 2.34 0.00 0.00 41.12 42.89 4ayk n ASP 75 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 4ayk n GLY 76 N 1.25 0.80 0.32 0.27 0.00 -1.26 -1.43 105.19 105.14 4ayk n GLY 76 Ca 0.27 -0.79 0.16 0.00 0.00 0.00 0.00 46.02 45.65 4ayk n GLY 76 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 4ayk h PRO 77 N 0.00 0.00 0.00 1.61 0.11 -1.96 -3.41 132.00 128.34 4ayk h PRO 77 Ca 0.00 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.75 4ayk h PRO 77 Cb 0.00 0.00 0.07 0.00 0.11 0.00 0.00 31.00 31.18 4ayk h PRO 77 CO 0.00 0.00 0.09 0.41 -0.21 0.00 0.00 178.00 178.29 4ayk n GLY 78 N -1.21 0.64 4.70 -0.55 0.00 -0.51 -4.98 105.19 103.28 4ayk n GLY 78 Ca -0.02 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.99 4ayk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4ayk n GLY 79 N -0.92 -1.86 3.79 -0.02 0.00 -1.26 -3.61 105.19 101.31 4ayk n GLY 79 Ca 0.13 -1.61 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 4ayk n GLY 79 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 4ayk s ASN 80 N -4.00 5.77 0.11 1.61 0.02 -1.26 -4.95 114.94 112.24 4ayk s ASN 80 Ca 0.00 2.00 0.23 0.00 -1.02 0.00 0.00 52.86 54.07 4ayk s ASN 80 Cb 0.00 -2.56 -0.01 0.00 0.02 0.00 0.00 41.25 38.70 4ayk s ASN 80 CO 0.00 -1.18 0.97 0.18 0.02 0.00 0.00 177.10 177.09 4ayk n LEU 81 N -1.60 0.63 -3.62 0.60 4.77 -1.26 -4.83 117.00 111.68 4ayk n LEU 81 Ca 0.10 0.17 -0.04 0.00 -0.03 0.00 0.00 56.01 56.21 4ayk n LEU 81 Cb 0.52 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 4ayk n LEU 81 CO 0.44 -0.08 0.85 0.00 -1.33 0.00 0.00 177.39 177.27 4ayk s ALA 82 N -3.33 -1.92 0.31 -1.18 0.00 -1.26 -2.16 121.76 112.22 4ayk s ALA 82 Ca 0.00 0.79 -0.16 0.00 0.00 0.00 0.00 51.96 52.59 4ayk s ALA 82 Cb 0.12 0.36 0.06 0.00 0.00 0.00 0.00 23.12 23.66 4ayk s ALA 82 CO 0.81 -0.86 0.82 -2.39 0.00 0.00 0.00 175.76 174.14 4ayk n HIS 83 N -0.34 -1.97 -3.68 0.00 1.44 -1.08 -5.02 115.22 104.57 4ayk n HIS 83 Ca -0.06 -1.57 -0.07 0.00 -2.01 0.00 0.00 57.72 54.01 4ayk n HIS 83 Cb 0.61 0.78 -0.02 0.00 0.12 0.00 0.00 29.99 31.48 4ayk n HIS 83 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 4ayk s ALA 84 N -2.00 -1.54 0.31 1.59 0.00 -1.26 -0.87 121.76 117.99 4ayk s ALA 84 Ca 0.17 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.35 4ayk s ALA 84 Cb -0.04 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 4ayk s ALA 84 CO 0.09 -0.93 0.50 -0.06 0.00 0.00 0.00 175.76 175.36 4ayk s PHE 85 N -3.54 3.49 0.66 0.00 0.40 -1.08 -5.00 117.98 112.91 4ayk s PHE 85 Ca 0.09 0.26 -0.17 0.00 -0.60 0.00 0.00 56.93 56.51 4ayk s PHE 85 Cb -0.03 -1.82 -0.02 0.00 0.51 0.00 0.00 43.02 41.67 4ayk s PHE 85 CO -0.01 0.21 1.08 1.04 0.70 0.00 0.00 175.22 178.24 4ayk n GLN 86 N -1.64 0.84 -1.68 0.44 6.02 -1.26 -3.63 117.38 116.48 4ayk n GLN 86 Ca -0.06 0.34 -0.40 0.00 -0.01 0.00 0.00 57.00 56.87 4ayk n GLN 86 Cb 0.56 -2.32 -0.03 0.00 1.02 0.00 0.00 30.24 29.48 4ayk n GLN 86 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 4ayk s PRO 87 N -3.17 2.66 0.32 -1.09 0.04 -1.26 -2.54 135.00 129.96 4ayk s PRO 87 Ca 0.78 1.56 -0.19 0.00 0.04 0.00 0.00 61.00 63.19 4ayk s PRO 87 Cb -0.38 -4.44 0.04 0.00 0.04 0.00 0.00 34.50 29.76 4ayk s PRO 87 CO 0.45 -2.64 0.79 0.20 0.04 0.00 0.00 177.00 175.84 4ayk s GLY 88 N 9.68 0.13 1.03 0.56 0.00 -1.26 -4.66 107.32 112.79 4ayk s GLY 88 Ca 0.94 -0.49 -0.14 0.00 0.00 0.00 0.00 44.72 45.03 4ayk s GLY 88 CO 0.30 -0.04 1.11 2.56 0.00 0.00 0.00 173.10 177.02 4ayk s PRO 89 N -3.03 0.18 7.33 2.90 0.04 -1.26 -3.38 135.00 137.78 4ayk s PRO 89 Ca 0.14 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.51 4ayk s PRO 89 Cb -0.05 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.76 4ayk s PRO 89 CO 0.09 -2.86 0.00 0.41 0.04 0.00 0.00 177.00 174.68 4ayk n GLY 90 N -1.30 2.40 0.08 0.56 0.00 -1.26 -2.04 105.19 103.63 4ayk n GLY 90 Ca 0.07 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.88 4ayk n GLY 90 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 4ayk n ILE 91 N 0.00 0.69 -1.74 -0.61 3.06 -1.26 -4.77 119.36 114.73 4ayk n ILE 91 Ca 0.00 0.07 -0.40 0.00 -2.50 0.00 0.00 62.75 59.92 4ayk n ILE 91 Cb 0.00 -0.90 0.03 0.00 0.54 0.00 0.00 39.64 39.31 4ayk n ILE 91 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 4ayk n GLY 92 N 0.53 0.83 2.87 4.50 0.00 -0.86 -1.47 105.19 111.58 4ayk n GLY 92 Ca 0.04 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.19 4ayk n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4ayk n GLY 93 N 0.69 3.11 3.69 -0.02 0.00 -1.05 -4.32 105.19 107.29 4ayk n GLY 93 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 4ayk n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 4ayk s ASP 94 N -0.93 6.70 -0.18 1.61 1.11 -0.54 -3.99 116.67 120.45 4ayk s ASP 94 Ca 0.00 2.37 -0.07 0.00 0.18 0.00 0.00 52.55 55.02 4ayk s ASP 94 Cb 0.00 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.38 4ayk s ASP 94 CO 0.00 -0.81 0.06 0.00 1.18 0.00 0.00 175.17 175.61 4ayk s ALA 95 N 2.26 3.41 -0.06 5.23 0.00 -0.23 -2.63 121.76 129.73 4ayk s ALA 95 Ca 0.69 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.87 4ayk s ALA 95 Cb -0.37 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 4ayk s ALA 95 CO 0.30 0.18 0.11 -1.01 0.00 0.00 0.00 175.76 175.34 4ayk s HIS 96 N 0.37 3.43 -0.04 0.00 3.76 -0.05 -2.61 115.29 120.14 4ayk s HIS 96 Ca 0.03 0.35 0.07 0.00 -0.15 0.00 0.00 55.06 55.36 4ayk s HIS 96 Cb -0.12 -1.84 -0.01 0.00 1.11 0.00 0.00 32.58 31.72 4ayk s HIS 96 CO 0.00 0.62 -0.25 -0.06 -0.85 0.00 0.00 174.74 174.20 4ayk s PHE 97 N -1.10 2.38 -0.07 1.40 0.40 -0.92 -2.65 117.98 117.42 4ayk s PHE 97 Ca 0.19 -0.62 -0.30 0.00 -0.60 0.00 0.00 56.93 55.60 4ayk s PHE 97 Cb -0.12 -1.55 -0.04 0.00 0.51 0.00 0.00 43.02 41.82 4ayk s PHE 97 CO 0.09 -0.16 1.48 0.34 0.70 0.00 0.00 175.22 177.68 4ayk s ASP 98 N -0.31 6.79 0.00 1.36 -1.08 -0.92 -2.64 116.67 119.87 4ayk s ASP 98 Ca 0.01 2.05 0.24 0.00 -0.52 0.00 0.00 52.55 54.32 4ayk s ASP 98 Cb -0.12 -2.54 0.18 0.00 -1.46 0.00 0.00 42.92 38.97 4ayk s ASP 98 CO 0.02 -0.83 1.21 1.21 0.52 0.00 0.00 175.17 177.30 4ayk n GLU 99 N 6.59 1.19 0.14 4.34 4.07 -0.99 -4.03 120.64 131.95 4ayk n GLU 99 Ca 0.15 -0.94 0.13 0.00 -0.06 0.00 0.00 57.16 56.44 4ayk n GLU 99 Cb 0.44 -1.48 0.42 0.00 -0.06 0.00 0.00 31.44 30.75 4ayk n GLU 99 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 4ayk h ASP 100 N 2.29 0.00 -2.99 4.31 3.32 -1.90 -3.44 116.42 118.01 4ayk h ASP 100 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 4ayk h ASP 100 Cb 0.71 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.27 4ayk h ASP 100 CO 0.00 0.00 -0.16 -1.61 -1.72 0.00 0.00 179.24 175.75 4ayk s GLU 101 N -3.22 3.53 -0.35 3.56 0.41 -1.26 -4.87 118.70 116.51 4ayk s GLU 101 Ca 0.08 -0.19 -0.23 0.00 -0.41 0.00 0.00 54.97 54.22 4ayk s GLU 101 Cb 0.10 -2.64 0.01 0.00 -1.78 0.00 0.00 34.13 29.82 4ayk s GLU 101 CO 0.55 0.15 0.76 0.50 -0.49 0.00 0.00 175.26 176.72 4ayk s ARG 102 N -4.10 3.79 0.06 1.61 3.52 -1.26 -5.03 118.95 117.54 4ayk s ARG 102 Ca 0.42 0.32 -0.19 0.00 -0.13 0.00 0.00 55.73 56.15 4ayk s ARG 102 Cb -0.10 -3.79 -0.07 0.00 -1.56 0.00 0.00 34.95 29.43 4ayk s ARG 102 CO 0.35 -0.79 0.55 -1.58 -0.81 0.00 0.00 175.30 173.03 4ayk s TRP 103 N 2.99 3.80 0.28 5.12 0.52 -1.26 -4.44 118.94 125.95 4ayk s TRP 103 Ca 0.30 1.25 0.05 0.00 0.02 0.00 0.00 56.10 57.72 4ayk s TRP 103 Cb -0.14 -2.48 -0.06 0.00 -1.15 0.00 0.00 33.47 29.64 4ayk s TRP 103 CO 0.15 0.59 -0.01 0.95 0.02 0.00 0.00 176.95 178.65 4ayk s THR 104 N -1.08 1.37 -0.36 2.01 -4.23 -0.93 -4.89 115.64 107.54 4ayk s THR 104 Ca 0.28 -2.06 0.06 0.00 -1.18 0.00 0.00 61.69 58.80 4ayk s THR 104 Cb -0.19 -2.54 0.50 0.00 1.34 0.00 0.00 72.50 71.61 4ayk s THR 104 CO 0.18 -0.21 1.53 0.59 -0.54 0.00 0.00 174.62 176.18 4ayk n ASN 105 N -0.59 3.74 -0.60 3.99 5.03 -1.26 -3.13 115.26 122.44 4ayk n ASN 105 Ca -0.04 -3.78 0.00 0.00 0.87 0.00 0.00 54.58 51.63 4ayk n ASN 105 Cb 0.65 -0.65 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 4ayk n ASN 105 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 4ayk n ASN 106 N -1.02 0.00 -1.38 6.41 0.23 -1.26 -5.01 115.26 113.22 4ayk n ASN 106 Ca 0.42 -0.60 -0.06 0.00 -0.53 0.00 0.00 54.58 53.81 4ayk n ASN 106 Cb 1.02 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.76 4ayk n ASN 106 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 4ayk n PHE 107 N 0.00 0.76 -0.13 -2.53 3.72 -1.26 -4.57 117.46 113.44 4ayk n PHE 107 Ca 0.00 -0.96 0.00 0.00 -0.05 0.00 0.00 57.45 56.44 4ayk n PHE 107 Cb 0.00 -0.48 0.00 0.00 -0.94 0.00 0.00 39.48 38.06 4ayk n PHE 107 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 4ayk n ARG 108 N 0.26 0.77 0.00 -1.08 1.74 -1.26 -4.92 116.66 112.17 4ayk n ARG 108 Ca 0.15 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.08 4ayk n ARG 108 Cb 0.74 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 32.09 4ayk n ARG 108 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 4ayk h GLU 109 N 0.00 -0.55 -5.49 5.56 5.08 -1.94 -3.41 114.58 113.82 4ayk h GLU 109 Ca 0.00 0.04 -0.66 0.00 -1.00 0.00 0.00 59.36 57.74 4ayk h GLU 109 Cb 0.00 0.13 -0.32 0.00 0.50 0.00 0.00 28.75 29.05 4ayk h GLU 109 CO 0.00 -0.37 -0.87 0.71 -1.00 0.00 0.00 179.01 177.48 4ayk s TYR 110 N -5.76 2.34 -0.21 4.33 2.02 -1.26 -5.05 117.35 113.76 4ayk s TYR 110 Ca -0.16 -0.85 -0.06 0.00 -0.37 0.00 0.00 57.07 55.64 4ayk s TYR 110 Cb 0.08 -1.57 -0.03 0.00 -0.40 0.00 0.00 41.96 40.04 4ayk s TYR 110 CO 0.62 -0.32 0.03 0.54 -1.57 0.00 0.00 175.55 174.85 4ayk s ASN 111 N 0.17 5.04 0.14 2.29 2.20 -1.26 -2.18 114.94 121.34 4ayk s ASN 111 Ca -0.12 -0.16 -0.11 0.00 -0.94 0.00 0.00 52.86 51.54 4ayk s ASN 111 Cb -0.16 -1.87 -0.04 0.00 -2.00 0.00 0.00 41.25 37.18 4ayk s ASN 111 CO 0.06 0.06 1.47 0.25 -2.94 0.00 0.00 177.10 176.00 4ayk h LEU 112 N 7.56 0.99 -0.51 3.54 5.85 -1.89 -3.23 115.31 127.63 4ayk h LEU 112 Ca -0.36 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 57.92 4ayk h LEU 112 Cb 1.18 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 4ayk h LEU 112 CO 0.61 1.26 0.30 -0.74 -0.34 0.00 0.00 178.44 179.54 4ayk h HIS 113 N 0.75 0.55 -0.57 1.25 2.76 -1.90 0.77 115.15 118.77 4ayk h HIS 113 Ca 0.05 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 4ayk h HIS 113 Cb 1.01 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.76 4ayk h HIS 113 CO 0.06 0.31 0.37 0.00 -1.30 0.00 0.00 177.93 177.37 4ayk h ARG 114 N 0.59 0.76 -0.31 5.26 3.08 -1.95 -0.53 114.38 121.27 4ayk h ARG 114 Ca 0.21 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 60.05 4ayk h ARG 114 Cb 0.04 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 4ayk h ARG 114 CO -0.10 0.51 -0.41 0.28 -1.07 0.00 0.00 179.97 179.17 4ayk h VAL 115 N 0.77 1.29 -0.79 2.04 2.07 -1.50 -2.33 116.25 117.80 4ayk h VAL 115 Ca 0.21 -1.60 0.01 0.00 0.82 0.00 0.00 66.70 66.14 4ayk h VAL 115 Cb -0.07 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 4ayk h VAL 115 CO -0.04 0.52 0.52 0.00 0.02 0.00 0.00 177.57 178.59 4ayk h ALA 116 N 0.70 1.01 -0.59 1.67 0.00 -0.57 0.76 119.26 122.24 4ayk h ALA 116 Ca 0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 4ayk h ALA 116 Cb 1.01 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 4ayk h ALA 116 CO 0.10 0.41 0.20 0.00 0.00 0.00 0.00 179.25 179.96 4ayk h ALA 117 N 1.29 1.25 -0.31 0.00 0.00 -1.01 -2.40 119.26 118.08 4ayk h ALA 117 Ca 0.29 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 4ayk h ALA 117 Cb -0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 4ayk h ALA 117 CO -0.07 0.54 -0.35 1.25 0.00 0.00 0.00 179.25 180.62 4ayk h HIS 118 N 0.85 0.95 -0.82 0.00 6.17 -0.68 -2.70 115.15 118.93 4ayk h HIS 118 Ca 0.20 -0.30 0.04 0.00 0.71 0.00 0.00 60.37 61.02 4ayk h HIS 118 Cb 0.22 -0.20 -0.05 0.00 2.52 0.00 0.00 27.41 29.90 4ayk h HIS 118 CO 0.01 1.08 0.52 0.93 0.71 0.00 0.00 177.93 181.18 4ayk h GLU 119 N 0.56 0.96 -0.91 5.26 4.39 -0.54 -0.90 114.58 123.40 4ayk h GLU 119 Ca 0.04 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 4ayk h GLU 119 Cb 0.94 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 29.32 4ayk h GLU 119 CO 0.09 0.64 0.51 -0.07 -1.16 0.00 0.00 179.01 179.01 4ayk h LEU 120 N 0.99 1.13 -1.00 1.33 3.38 -1.35 -1.60 115.31 118.18 4ayk h LEU 120 Ca 0.34 -0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.30 4ayk h LEU 120 Cb 0.05 -0.29 -0.07 0.00 0.09 0.00 0.00 40.66 40.44 4ayk h LEU 120 CO -0.13 0.89 0.64 1.23 0.09 0.00 0.00 178.44 181.17 4ayk h GLY 121 N 1.27 1.57 1.55 0.83 0.00 -0.84 0.11 103.07 107.56 4ayk h GLY 121 Ca 0.32 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 4ayk h GLY 121 CO -0.05 0.27 -0.15 0.45 0.00 0.00 0.00 176.54 177.06 4ayk h HIS 122 N 1.11 0.58 0.00 5.60 3.86 -0.81 -0.86 115.15 124.63 4ayk h HIS 122 Ca 0.46 -0.10 -0.09 0.00 -1.16 0.00 0.00 60.37 59.48 4ayk h HIS 122 Cb 0.29 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 4ayk h HIS 122 CO -0.00 0.66 -0.41 1.03 0.86 0.00 0.00 177.93 180.07 4ayk h SER 123 N 0.49 0.00 0.46 2.45 0.87 -0.26 -1.51 113.55 116.04 4ayk h SER 123 Ca 0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 4ayk h SER 123 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 4ayk h SER 123 CO 0.04 0.41 -0.04 0.18 -0.53 0.00 0.00 176.83 176.89 4ayk n LEU 124 N -3.91 0.16 0.00 2.23 4.77 -0.28 -4.85 117.00 115.11 4ayk n LEU 124 Ca -0.01 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 4ayk n LEU 124 Cb 0.46 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 4ayk n LEU 124 CO 0.39 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 4ayk n GLY 125 N 1.26 0.59 3.71 -0.72 0.00 -0.57 -5.03 105.19 104.43 4ayk n GLY 125 Ca 0.15 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 4ayk n GLY 125 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 4ayk s LEU 126 N 0.00 4.36 0.63 0.99 1.43 -0.39 -5.00 118.68 120.70 4ayk s LEU 126 Ca 0.00 1.57 -0.05 0.00 -1.03 0.00 0.00 54.13 54.62 4ayk s LEU 126 Cb 0.00 -3.48 0.03 0.00 0.03 0.00 0.00 46.19 42.77 4ayk s LEU 126 CO 0.00 -0.23 0.92 -0.44 0.23 0.00 0.00 176.35 176.84 4ayk s SER 127 N 0.95 5.25 0.86 2.29 0.01 -1.26 -4.42 113.70 117.37 4ayk s SER 127 Ca 0.49 0.51 -0.10 0.00 1.31 0.00 0.00 55.95 58.16 4ayk s SER 127 Cb -0.20 -1.36 0.11 0.00 0.21 0.00 0.00 66.02 64.78 4ayk s SER 127 CO 0.26 -1.28 1.13 -1.00 0.41 0.00 0.00 173.24 172.76 4ayk s HIS 128 N -3.05 1.98 0.28 2.43 0.09 -1.26 -5.02 115.29 110.74 4ayk s HIS 128 Ca 0.57 1.70 0.05 0.00 -0.00 0.00 0.00 55.06 57.38 4ayk s HIS 128 Cb -0.11 -3.24 -0.06 0.00 -0.00 0.00 0.00 32.58 29.17 4ayk s HIS 128 CO 0.44 -2.44 -0.00 0.45 -0.00 0.00 0.00 174.74 173.19 4ayk s SER 129 N -2.90 2.37 0.00 1.40 0.15 -1.15 -5.05 113.70 108.52 4ayk s SER 129 Ca 0.65 -1.26 0.14 0.00 0.70 0.00 0.00 55.95 56.18 4ayk s SER 129 Cb -0.21 -0.09 0.38 0.00 -1.71 0.00 0.00 66.02 64.39 4ayk s SER 129 CO 0.57 -0.48 1.30 0.35 1.20 0.00 0.00 173.24 176.18 4ayk n THR 130 N -0.57 0.91 -2.79 6.45 -2.24 -1.26 -4.36 114.28 110.41 4ayk n THR 130 Ca -0.04 -0.95 -0.41 0.00 -2.27 0.00 0.00 64.05 60.37 4ayk n THR 130 Cb 0.65 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 69.42 4ayk n THR 130 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 4ayk s ASP 131 N -1.02 7.25 0.26 3.42 -1.08 -1.26 -4.93 116.67 119.31 4ayk s ASP 131 Ca 0.29 1.52 -0.05 0.00 -0.52 0.00 0.00 52.55 53.79 4ayk s ASP 131 Cb 0.16 -2.53 0.31 0.00 -1.46 0.00 0.00 42.92 39.40 4ayk s ASP 131 CO 0.21 -0.25 1.94 0.40 0.52 0.00 0.00 175.17 177.98 4ayk h ILE 132 N 4.84 1.25 0.00 4.11 2.04 -2.00 -1.06 117.51 126.68 4ayk h ILE 132 Ca -0.39 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.01 4ayk h ILE 132 Cb 1.20 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 4ayk h ILE 132 CO 0.77 0.24 0.00 0.61 0.00 0.00 0.00 178.15 179.76 4ayk n GLY 133 N -1.37 -0.90 3.76 5.37 0.00 -1.26 -4.78 105.19 106.01 4ayk n GLY 133 Ca 0.11 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 4ayk n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4ayk s ALA 134 N -2.32 3.41 0.28 4.61 0.00 -0.40 -4.49 121.76 122.84 4ayk s ALA 134 Ca 0.27 0.32 0.17 0.00 0.00 0.00 0.00 51.96 52.73 4ayk s ALA 134 Cb 0.16 -2.98 0.78 0.00 0.00 0.00 0.00 23.12 21.08 4ayk s ALA 134 CO 0.31 0.18 1.80 -0.07 0.00 0.00 0.00 175.76 177.98 4ayk h LEU 135 N 5.01 0.00 -5.04 0.00 3.38 -1.86 -3.29 115.31 113.51 4ayk h LEU 135 Ca -0.45 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.01 4ayk h LEU 135 Cb 1.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.97 4ayk h LEU 135 CO 0.68 0.36 2.91 0.23 0.09 0.00 0.00 178.44 182.71 4ayk n MET 136 N -3.76 2.90 -2.32 1.13 2.81 -1.26 -4.91 117.12 111.71 4ayk n MET 136 Ca -0.01 -1.77 -0.42 0.00 -1.81 0.00 0.00 57.70 53.69 4ayk n MET 136 Cb 0.44 -2.57 -0.03 0.00 -0.71 0.00 0.00 33.22 30.36 4ayk n MET 136 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 4ayk s TYR 137 N 2.47 3.36 0.02 2.03 6.14 -1.24 -2.93 117.35 127.20 4ayk s TYR 137 Ca 0.58 1.24 -0.06 0.00 0.64 0.00 0.00 57.07 59.47 4ayk s TYR 137 Cb 0.17 -3.51 -0.02 0.00 0.42 0.00 0.00 41.96 39.01 4ayk s TYR 137 CO -0.04 -1.62 1.10 -1.35 0.64 0.00 0.00 175.55 174.28 4ayk h PRO 138 N 6.13 -0.08 -7.38 4.97 0.11 -1.91 -3.42 132.00 130.42 4ayk h PRO 138 Ca -0.43 0.01 -0.46 0.00 0.11 0.00 0.00 66.00 65.23 4ayk h PRO 138 Cb 1.21 0.02 0.11 0.00 0.11 0.00 0.00 31.00 32.45 4ayk h PRO 138 CO 0.80 -0.05 0.24 -1.54 -0.21 0.00 0.00 178.00 177.24 4ayk s SER 139 N -3.11 4.13 -0.11 -2.05 1.04 -1.26 -5.03 113.70 107.32 4ayk s SER 139 Ca -0.03 0.08 -0.27 0.00 0.48 0.00 0.00 55.95 56.22 4ayk s SER 139 Cb 0.01 -0.46 -0.02 0.00 0.10 0.00 0.00 66.02 65.66 4ayk s SER 139 CO 0.11 -2.03 0.89 -0.47 0.98 0.00 0.00 173.24 172.72 4ayk s TYR 140 N -3.39 3.51 0.03 5.02 5.04 -1.26 -5.03 117.35 121.27 4ayk s TYR 140 Ca 0.67 1.43 -0.12 0.00 -2.44 0.00 0.00 57.07 56.60 4ayk s TYR 140 Cb -0.07 -3.06 0.01 0.00 0.35 0.00 0.00 41.96 39.20 4ayk s TYR 140 CO 0.47 -0.15 0.26 0.95 -1.34 0.00 0.00 175.55 175.74 4ayk s THR 141 N 1.73 0.09 -0.24 4.34 -4.23 -1.26 -5.12 115.64 110.94 4ayk s THR 141 Ca 0.43 -0.71 -0.27 0.00 -1.18 0.00 0.00 61.69 59.97 4ayk s THR 141 Cb -0.18 -0.84 0.00 0.00 1.34 0.00 0.00 72.50 72.82 4ayk s THR 141 CO 0.17 -0.39 0.93 0.12 -0.54 0.00 0.00 174.62 174.91 4ayk s PHE 142 N -2.27 3.32 0.00 3.99 5.36 -1.26 -4.95 117.98 122.17 4ayk s PHE 142 Ca -0.07 1.29 0.00 0.00 -0.96 0.00 0.00 56.93 57.19 4ayk s PHE 142 Cb -0.02 -3.16 0.00 0.00 -0.34 0.00 0.00 43.02 39.50 4ayk s PHE 142 CO -0.02 -0.44 0.00 0.45 -1.46 0.00 0.00 175.22 173.75 4ayk n SER 143 N 6.17 0.00 0.00 6.13 2.88 -1.26 -5.11 113.62 122.43 4ayk n SER 143 Ca 0.09 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 4ayk n SER 143 Cb 0.47 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 4ayk n SER 143 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 4ayk n GLY 144 N 1.98 -0.41 3.76 0.46 0.00 -1.26 -5.10 105.19 104.62 4ayk n GLY 144 Ca 0.00 0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 4ayk n GLY 144 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 4ayk s ASP 145 N -4.00 7.53 -0.56 1.61 1.01 -1.26 -4.99 116.67 116.01 4ayk s ASP 145 Ca 0.00 1.90 -0.24 0.00 0.71 0.00 0.00 52.55 54.92 4ayk s ASP 145 Cb 0.00 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.38 4ayk s ASP 145 CO 0.00 0.07 0.94 -0.69 0.21 0.00 0.00 175.17 175.70 4ayk s VAL 146 N -1.35 4.39 0.01 -1.27 1.01 -1.26 -4.99 120.40 116.94 4ayk s VAL 146 Ca 0.45 0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.61 4ayk s VAL 146 Cb -0.23 -4.55 -0.01 0.00 0.00 0.00 0.00 36.38 31.60 4ayk s VAL 146 CO 0.29 -1.13 0.09 -1.10 0.00 0.00 0.00 175.10 173.25 4ayk s GLN 147 N 3.95 0.46 0.34 2.72 -1.52 -1.26 -5.14 119.66 119.21 4ayk s GLN 147 Ca 0.30 -0.49 -0.26 0.00 -1.95 0.00 0.00 55.36 52.95 4ayk s GLN 147 Cb -0.13 0.18 -0.09 0.00 -0.22 0.00 0.00 33.01 32.75 4ayk s GLN 147 CO 0.19 -0.10 1.03 -0.51 -0.25 0.00 0.00 175.29 175.65 4ayk s LEU 148 N -1.49 4.32 0.40 2.90 1.43 -1.26 -4.79 118.68 120.19 4ayk s LEU 148 Ca -0.14 2.05 -0.08 0.00 -1.03 0.00 0.00 54.13 54.93 4ayk s LEU 148 Cb -0.07 -3.97 -0.05 0.00 0.03 0.00 0.00 46.19 42.12 4ayk s LEU 148 CO 0.00 -0.27 0.73 0.00 0.23 0.00 0.00 176.35 177.04 4ayk s ALA 149 N -1.49 3.42 0.25 4.21 0.00 -1.26 -4.93 121.76 121.96 4ayk s ALA 149 Ca 0.52 -0.38 -0.06 0.00 0.00 0.00 0.00 51.96 52.04 4ayk s ALA 149 Cb -0.24 -2.58 0.27 0.00 0.00 0.00 0.00 23.12 20.57 4ayk s ALA 149 CO 0.31 -0.06 1.92 0.37 0.00 0.00 0.00 175.76 178.29 4ayk h GLN 150 N 1.02 1.30 -0.98 0.00 4.15 -1.95 -1.13 115.11 117.52 4ayk h GLN 150 Ca -0.47 -0.08 0.03 0.00 0.77 0.00 0.00 58.65 58.90 4ayk h GLN 150 Cb 1.19 -0.29 -0.06 0.00 0.21 0.00 0.00 27.48 28.53 4ayk h GLN 150 CO 0.63 0.86 0.64 0.22 -1.93 0.00 0.00 178.83 179.26 4ayk h ASP 151 N 1.34 1.07 -0.20 -0.69 1.82 -1.99 0.17 116.42 117.95 4ayk h ASP 151 Ca 0.37 -0.01 -0.21 0.00 -0.39 0.00 0.00 57.03 56.79 4ayk h ASP 151 Cb -0.13 -0.25 0.01 0.00 0.68 0.00 0.00 39.33 39.64 4ayk h ASP 151 CO -0.09 0.73 -0.69 0.44 -1.61 0.00 0.00 179.24 178.02 4ayk h ASP 152 N 1.24 0.95 -0.15 2.28 3.32 -1.74 -2.32 116.42 120.01 4ayk h ASP 152 Ca 0.39 -0.60 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 4ayk h ASP 152 Cb -0.01 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 4ayk h ASP 152 CO -0.12 1.39 0.05 0.40 -1.72 0.00 0.00 179.24 179.24 4ayk h ILE 153 N 0.57 1.16 -0.87 0.35 2.04 -0.71 -1.96 117.51 118.09 4ayk h ILE 153 Ca -0.03 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 4ayk h ILE 153 Cb 1.32 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 38.58 4ayk h ILE 153 CO 0.15 0.15 0.46 0.44 0.00 0.00 0.00 178.15 179.35 4ayk h ASP 154 N 0.07 1.10 0.23 1.72 3.32 -0.71 -1.44 116.42 120.71 4ayk h ASP 154 Ca 0.05 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 4ayk h ASP 154 Cb 0.19 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.46 4ayk h ASP 154 CO -0.00 0.89 -0.11 1.23 -1.72 0.00 0.00 179.24 179.53 4ayk h GLY 155 N 1.22 -0.32 1.18 2.75 0.00 -1.22 0.27 103.07 106.95 4ayk h GLY 155 Ca 0.30 0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.69 4ayk h GLY 155 CO -0.05 -0.12 0.16 1.19 0.00 0.00 0.00 176.54 177.72 4ayk h ILE 156 N -0.54 1.25 -0.73 2.60 6.09 -1.33 -1.56 117.51 123.29 4ayk h ILE 156 Ca -0.03 -0.92 -0.07 0.00 -1.37 0.00 0.00 64.86 62.47 4ayk h ILE 156 Cb 0.40 0.59 -0.03 0.00 0.47 0.00 0.00 36.82 38.25 4ayk h ILE 156 CO 0.05 0.35 0.19 1.56 -3.07 0.00 0.00 178.15 177.23 4ayk h GLN 157 N 0.97 1.15 -0.80 2.19 4.20 -1.21 -2.24 115.11 119.37 4ayk h GLN 157 Ca 0.21 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 4ayk h GLN 157 Cb 0.35 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 4ayk h GLN 157 CO 0.00 1.00 0.42 0.00 -0.67 0.00 0.00 178.83 179.58 4ayk h ALA 158 N 1.10 1.03 0.01 3.87 0.00 -0.37 2.06 119.26 126.96 4ayk h ALA 158 Ca 0.23 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 4ayk h ALA 158 Cb 0.36 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.83 4ayk h ALA 158 CO -0.00 0.56 -0.00 0.82 0.00 0.00 0.00 179.25 180.63 4ayk h ILE 159 N 1.12 1.01 0.00 0.00 2.04 -0.81 -3.39 117.51 117.48 4ayk h ILE 159 Ca 0.28 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 66.09 4ayk h ILE 159 Cb 0.06 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 4ayk h ILE 159 CO -0.04 0.01 -0.21 -1.22 0.00 0.00 0.00 178.15 176.69 4ayk n TYR 160 N -5.09 0.00 -3.66 1.37 4.01 -0.89 -5.12 117.16 107.79 4ayk n TYR 160 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 4ayk n TYR 160 Cb 0.04 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 4ayk n TYR 160 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 4ayk n GLY 161 N 1.56 -1.17 3.86 2.72 0.00 0.70 -5.04 105.19 107.82 4ayk n GLY 161 Ca -0.03 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.39 4ayk n GLY 161 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4ayk s ARG 162 N -2.00 3.89 -1.14 1.61 0.52 -1.26 -4.46 118.95 116.10 4ayk s ARG 162 Ca 0.00 0.56 -0.21 0.00 -0.52 0.00 0.00 55.73 55.56 4ayk s ARG 162 Cb 0.00 -2.42 -0.06 0.00 0.52 0.00 0.00 34.95 33.00 4ayk s ARG 162 CO 0.00 0.07 1.92 0.43 0.02 0.00 0.00 175.30 177.73 4ayk n SER 163 N -0.82 3.43 -4.39 0.23 7.64 -1.26 -4.71 113.62 113.75 4ayk n SER 163 Ca 0.03 -2.76 -0.45 0.00 1.01 0.00 0.00 58.87 56.70 4ayk n SER 163 Cb 0.54 -1.59 -0.02 0.00 -1.01 0.00 0.00 64.21 62.13 4ayk n SER 163 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 4ayk s GLN 164 N 5.33 3.69 -0.46 1.43 -0.21 -1.26 -4.87 119.66 123.31 4ayk s GLN 164 Ca 0.61 -2.27 0.06 0.00 0.02 0.00 0.00 55.36 53.78 4ayk s GLN 164 Cb 0.05 -4.67 0.18 0.00 1.00 0.00 0.00 33.01 29.57 4ayk s GLN 164 CO 0.10 -1.50 0.60 -0.80 -2.12 0.00 0.00 175.29 171.56 4ayk s ASN 165 N 2.70 -0.64 -0.30 5.90 0.01 -1.26 -5.03 114.94 116.32 4ayk s ASN 165 Ca 0.26 -1.77 -0.07 0.00 -0.71 0.00 0.00 52.86 50.58 4ayk s ASN 165 Cb -0.07 1.34 -0.23 0.00 0.41 0.00 0.00 41.25 42.70 4ayk s ASN 165 CO -0.08 -0.12 3.42 -0.81 -1.51 0.00 0.00 177.10 178.00 4ayk n PRO 166 N 3.37 2.26 -3.21 -0.60 -0.04 -1.26 -4.90 135.00 130.61 4ayk n PRO 166 Ca 0.18 -1.19 -0.39 0.00 -0.04 0.00 0.00 63.50 62.06 4ayk n PRO 166 Cb 0.53 -2.14 -0.06 0.00 -0.04 0.00 0.00 33.50 31.80 4ayk n PRO 166 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 4ayk s VAL 167 N 1.28 4.77 -0.61 0.52 1.01 -1.26 -5.03 120.40 121.08 4ayk s VAL 167 Ca 0.66 1.29 0.05 0.00 0.00 0.00 0.00 61.98 63.98 4ayk s VAL 167 Cb 0.29 -3.94 0.18 0.00 0.00 0.00 0.00 36.38 32.90 4ayk s VAL 167 CO -0.01 0.49 0.47 0.00 0.00 0.00 0.00 175.10 176.05 4ayk n GLN 168 N 2.15 1.39 0.00 2.72 1.13 -1.26 -5.29 117.38 118.22 4ayk n GLN 168 Ca -0.08 -4.10 0.00 0.00 -1.94 0.00 0.00 57.00 50.88 4ayk n GLN 168 Cb 0.51 -2.09 0.00 0.00 0.11 0.00 0.00 30.24 28.77 4ayk n GLN 168 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32