#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 4.45 0.55 1.34 2.96 -1.26 -5.02 118.68 121.69 4ayk s LEU 2 Ca 0.00 2.50 -0.03 0.00 -0.22 0.00 0.00 54.13 56.38 4ayk s LEU 2 Cb 0.00 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 43.07 4ayk s LEU 2 CO 0.00 -0.46 0.81 0.42 -1.32 0.00 0.00 176.35 175.80 4ayk s THR 3 N -0.64 3.48 0.09 3.68 -4.23 -1.26 -5.03 115.64 111.73 4ayk s THR 3 Ca 0.51 -0.31 -0.30 0.00 -1.18 0.00 0.00 61.69 60.41 4ayk s THR 3 Cb -0.37 -3.34 -0.06 0.00 1.34 0.00 0.00 72.50 70.07 4ayk s THR 3 CO 0.45 -0.30 1.15 -0.70 -0.54 0.00 0.00 174.62 174.68 4ayk s GLU 4 N -4.82 4.49 0.62 3.99 2.12 -1.26 -4.79 118.70 119.04 4ayk s GLU 4 Ca 0.53 1.72 0.00 0.00 0.36 0.00 0.00 54.97 57.58 4ayk s GLU 4 Cb -0.10 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 30.95 4ayk s GLU 4 CO 0.41 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.40 4ayk n GLY 5 N 2.83 -2.10 3.82 -1.50 0.00 -1.26 -4.83 105.19 102.15 4ayk n GLY 5 Ca 0.07 -1.44 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 4ayk n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 4ayk s ASN 6 N -3.34 7.02 -0.05 1.61 0.01 -1.26 -4.98 114.94 113.96 4ayk s ASN 6 Ca 0.00 1.55 -0.30 0.00 -0.71 0.00 0.00 52.86 53.40 4ayk s ASN 6 Cb 0.00 -2.47 -0.07 0.00 0.41 0.00 0.00 41.25 39.12 4ayk s ASN 6 CO 0.00 -0.15 1.83 -2.16 -1.51 0.00 0.00 177.10 175.11 4ayk s PRO 7 N -2.56 4.04 0.05 -0.60 0.04 -1.26 -4.97 135.00 129.74 4ayk s PRO 7 Ca 0.52 2.29 -0.07 0.00 0.04 0.00 0.00 61.00 63.79 4ayk s PRO 7 Cb -0.13 -4.10 -0.01 0.00 0.04 0.00 0.00 34.50 30.30 4ayk s PRO 7 CO 0.19 -1.04 0.13 1.03 0.04 0.00 0.00 177.00 177.34 4ayk s ARG 8 N 4.47 0.69 -0.16 4.56 0.52 -1.26 -4.77 118.95 123.00 4ayk s ARG 8 Ca 0.82 -0.84 -0.25 0.00 -0.52 0.00 0.00 55.73 54.94 4ayk s ARG 8 Cb -0.36 0.27 -0.02 0.00 0.52 0.00 0.00 34.95 35.36 4ayk s ARG 8 CO 0.35 -0.19 0.81 -1.58 0.02 0.00 0.00 175.30 174.71 4ayk s TRP 9 N -3.12 3.43 -1.44 -0.53 0.52 -1.26 -4.91 118.94 111.63 4ayk s TRP 9 Ca -0.01 1.23 0.27 0.00 0.02 0.00 0.00 56.10 57.62 4ayk s TRP 9 Cb 0.02 -2.98 0.87 0.00 -1.15 0.00 0.00 33.47 30.22 4ayk s TRP 9 CO -0.07 -0.21 1.65 0.39 0.02 0.00 0.00 176.95 178.72 4ayk n GLU 10 N 5.11 0.48 -2.83 4.98 1.02 -1.26 -4.88 120.64 123.27 4ayk n GLU 10 Ca 0.04 -0.23 -0.33 0.00 -0.02 0.00 0.00 57.16 56.61 4ayk n GLU 10 Cb 0.49 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.35 4ayk n GLU 10 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 4ayk s GLN 11 N -2.68 4.17 0.00 3.49 -0.21 -1.26 -4.96 119.66 118.22 4ayk s GLN 11 Ca 0.21 1.04 0.24 0.00 0.02 0.00 0.00 55.36 56.87 4ayk s GLN 11 Cb 0.19 -2.21 0.31 0.00 1.00 0.00 0.00 33.01 32.30 4ayk s GLN 11 CO 0.56 -0.03 1.28 0.25 -2.12 0.00 0.00 175.29 175.23 4ayk n THR 12 N -0.69 0.00 -4.59 -0.19 -2.24 -1.26 -4.86 114.28 100.45 4ayk n THR 12 Ca 0.06 -0.14 -0.22 0.00 -2.27 0.00 0.00 64.05 61.49 4ayk n THR 12 Cb 0.54 0.77 -0.15 0.00 -2.10 0.00 0.00 70.33 69.39 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 -2.63 1.16 0.12 4.78 3.76 -1.26 -2.74 115.29 118.48 4ayk s HIS 13 Ca 0.18 -0.22 0.04 0.00 -0.15 0.00 0.00 55.06 54.91 4ayk s HIS 13 Cb 0.18 -0.75 -0.04 0.00 1.11 0.00 0.00 32.58 33.08 4ayk s HIS 13 CO 0.61 -0.02 -0.10 -0.51 -0.85 0.00 0.00 174.74 173.87 4ayk s LEU 14 N -0.28 2.47 0.12 0.89 1.43 -0.71 -4.98 118.68 117.62 4ayk s LEU 14 Ca 0.05 -0.93 0.07 0.00 -1.03 0.00 0.00 54.13 52.29 4ayk s LEU 14 Cb -0.05 -0.29 -0.04 0.00 0.03 0.00 0.00 46.19 45.84 4ayk s LEU 14 CO -0.00 -0.32 -0.16 0.42 0.23 0.00 0.00 176.35 176.52 4ayk s THR 15 N -2.99 1.46 0.06 5.49 -4.23 -1.26 -2.35 115.64 111.82 4ayk s THR 15 Ca 0.11 -1.69 -0.04 0.00 -1.18 0.00 0.00 61.69 58.89 4ayk s THR 15 Cb 0.01 -1.55 -0.02 0.00 1.34 0.00 0.00 72.50 72.28 4ayk s THR 15 CO -0.00 -0.32 0.06 -0.72 -0.54 0.00 0.00 174.62 173.10 4ayk s TYR 16 N -1.88 0.33 -0.10 3.99 1.13 -1.08 -1.51 117.35 118.21 4ayk s TYR 16 Ca 0.09 -0.77 -0.07 0.00 -1.41 0.00 0.00 57.07 54.90 4ayk s TYR 16 Cb -0.06 -0.23 0.04 0.00 -1.10 0.00 0.00 41.96 40.61 4ayk s TYR 16 CO 0.04 -0.42 0.26 0.50 -2.51 0.00 0.00 175.55 173.42 4ayk s ARG 17 N -3.50 0.26 -0.40 -3.49 3.52 -1.04 -2.25 118.95 112.04 4ayk s ARG 17 Ca 0.03 0.46 -0.23 0.00 -0.13 0.00 0.00 55.73 55.86 4ayk s ARG 17 Cb 0.04 0.00 0.02 0.00 -1.56 0.00 0.00 34.95 33.45 4ayk s ARG 17 CO -0.09 -0.10 0.79 0.42 -0.81 0.00 0.00 175.30 175.50 4ayk s ILE 18 N 0.75 4.69 0.21 4.11 1.01 -1.26 -2.04 121.20 128.67 4ayk s ILE 18 Ca -0.05 0.67 -0.07 0.00 0.00 0.00 0.00 60.65 61.20 4ayk s ILE 18 Cb -0.06 -4.26 0.15 0.00 0.01 0.00 0.00 42.46 38.29 4ayk s ILE 18 CO -0.05 -0.57 1.77 -0.08 0.00 0.00 0.00 174.94 176.01 4ayk h GLU 19 N 8.72 1.17 -2.42 2.79 4.81 -1.47 -3.45 114.58 124.72 4ayk h GLU 19 Ca -0.25 -0.23 -0.09 0.00 -0.13 0.00 0.00 59.36 58.67 4ayk h GLU 19 Cb 1.09 -0.18 -0.22 0.00 0.63 0.00 0.00 28.75 30.07 4ayk h GLU 19 CO 0.93 0.97 -0.06 -0.80 -0.73 0.00 0.00 179.01 179.33 4ayk s ASN 20 N -6.40 -0.54 -0.02 1.04 0.01 -1.26 -5.09 114.94 102.68 4ayk s ASN 20 Ca -0.12 0.94 -0.17 0.00 -0.71 0.00 0.00 52.86 52.80 4ayk s ASN 20 Cb 0.15 0.96 -0.05 0.00 0.41 0.00 0.00 41.25 42.72 4ayk s ASN 20 CO 0.84 -0.28 0.46 -0.31 -1.51 0.00 0.00 177.10 176.31 4ayk s TYR 21 N -0.09 3.68 0.25 2.20 2.02 -1.26 -4.60 117.35 119.56 4ayk s TYR 21 Ca -0.03 1.02 -0.30 0.00 -0.37 0.00 0.00 57.07 57.40 4ayk s TYR 21 Cb -0.03 -2.41 -0.09 0.00 -0.40 0.00 0.00 41.96 39.02 4ayk s TYR 21 CO 0.02 0.49 1.28 -0.08 -1.57 0.00 0.00 175.55 175.70 4ayk s THR 22 N -0.59 3.08 -1.06 -0.71 -1.32 -1.26 -4.87 115.64 108.90 4ayk s THR 22 Ca 0.25 0.97 0.10 0.00 -1.21 0.00 0.00 61.69 61.81 4ayk s THR 22 Cb -0.17 -3.62 0.10 0.00 -1.51 0.00 0.00 72.50 67.30 4ayk s THR 22 CO 0.14 0.19 1.30 -0.81 -2.21 0.00 0.00 174.62 173.23 4ayk n PRO 23 N 1.83 0.02 -0.37 7.08 -0.04 -1.26 -2.72 135.00 139.55 4ayk n PRO 23 Ca 0.03 0.31 -0.02 0.00 -0.04 0.00 0.00 63.50 63.78 4ayk n PRO 23 Cb 0.43 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.49 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 1.14 -4.77 3.54 3.32 -1.97 -3.43 116.42 114.25 4ayk h ASP 24 Ca 0.00 -0.04 -0.27 0.00 0.02 0.00 0.00 57.03 56.74 4ayk h ASP 24 Cb 0.16 -0.29 -0.21 0.00 0.22 0.00 0.00 39.33 39.21 4ayk h ASP 24 CO 0.00 0.84 -0.73 -0.76 -1.72 0.00 0.00 179.24 176.87 4ayk s LEU 25 N -10.09 2.25 0.00 1.55 1.43 -1.10 -5.00 118.68 107.73 4ayk s LEU 25 Ca -0.13 -0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 52.25 4ayk s LEU 25 Cb 0.18 -0.15 0.29 0.00 0.03 0.00 0.00 46.19 46.53 4ayk s LEU 25 CO 0.82 -0.21 0.65 -0.81 0.23 0.00 0.00 176.35 177.03 4ayk n PRO 26 N 1.49 -3.52 -0.00 1.29 -0.04 -1.26 -4.60 135.00 128.36 4ayk n PRO 26 Ca -0.23 -1.09 -0.11 0.00 -0.04 0.00 0.00 63.50 62.04 4ayk n PRO 26 Cb 0.55 -1.56 -0.14 0.00 -0.04 0.00 0.00 33.50 32.31 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 0.05 -0.76 0.54 -0.00 -1.97 -3.18 114.38 109.07 4ayk h ARG 27 Ca -0.29 -0.09 0.04 0.00 -0.00 0.00 0.00 59.98 59.63 4ayk h ARG 27 Cb 0.99 0.03 -0.05 0.00 -0.00 0.00 0.00 29.97 30.95 4ayk h ARG 27 CO 0.18 0.70 0.48 0.00 -0.00 0.00 0.00 179.97 181.32 4ayk h ALA 28 N 0.85 1.00 -0.19 0.08 0.00 -1.99 0.44 119.26 119.45 4ayk h ALA 28 Ca -0.26 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.41 4ayk h ALA 28 Cb 1.99 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 19.54 4ayk h ALA 28 CO 0.09 0.26 -0.72 -0.44 0.00 0.00 0.00 179.25 178.44 4ayk h ASP 29 N 0.92 0.96 -0.18 0.00 3.32 -1.94 -2.64 116.42 116.88 4ayk h ASP 29 Ca 0.31 -0.61 -0.10 0.00 0.02 0.00 0.00 57.03 56.65 4ayk h ASP 29 Cb 0.04 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 4ayk h ASP 29 CO -0.12 1.41 -0.30 0.58 -1.72 0.00 0.00 179.24 179.09 4ayk h VAL 30 N 0.58 1.34 -0.56 -1.35 2.07 -1.43 -2.66 116.25 114.25 4ayk h VAL 30 Ca -0.04 -1.53 0.03 0.00 0.82 0.00 0.00 66.70 65.98 4ayk h VAL 30 Cb 1.35 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 32.99 4ayk h VAL 30 CO 0.15 0.46 0.34 -0.78 0.02 0.00 0.00 177.57 177.76 4ayk h ASP 31 N 0.16 0.54 -0.82 0.57 1.82 -0.20 -1.59 116.42 116.90 4ayk h ASP 31 Ca 0.01 0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.67 4ayk h ASP 31 Cb 0.88 -0.11 -0.04 0.00 0.68 0.00 0.00 39.33 40.74 4ayk h ASP 31 CO 0.07 0.38 0.54 -0.74 -1.61 0.00 0.00 179.24 177.87 4ayk h HIS 32 N 0.66 1.02 -0.99 0.28 2.76 -1.45 -0.42 115.15 117.00 4ayk h HIS 32 Ca 0.23 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.46 4ayk h HIS 32 Cb 0.03 -0.34 -0.06 0.00 1.55 0.00 0.00 27.41 28.59 4ayk h HIS 32 CO -0.06 0.62 0.65 0.00 -1.30 0.00 0.00 177.93 177.84 4ayk h ALA 33 N 1.31 1.32 -0.34 5.26 0.00 -0.94 -0.76 119.26 125.11 4ayk h ALA 33 Ca 0.31 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.01 4ayk h ALA 33 Cb -0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 4ayk h ALA 33 CO -0.08 0.52 -0.43 0.82 0.00 0.00 0.00 179.25 180.09 4ayk h ILE 34 N 1.24 1.28 -0.66 0.00 1.08 -0.61 -2.82 117.51 117.01 4ayk h ILE 34 Ca 0.40 -1.61 -0.08 0.00 -0.39 0.00 0.00 64.86 63.18 4ayk h ILE 34 Cb 0.02 1.46 -0.03 0.00 -3.07 0.00 0.00 36.82 35.21 4ayk h ILE 34 CO -0.13 0.53 0.10 -0.08 -0.69 0.00 0.00 178.15 177.88 4ayk h GLU 35 N 0.70 1.09 -0.80 2.37 4.81 -0.41 -2.77 114.58 119.57 4ayk h GLU 35 Ca 0.05 -0.29 -0.05 0.00 -0.13 0.00 0.00 59.36 58.94 4ayk h GLU 35 Cb 1.01 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.23 4ayk h GLU 35 CO 0.10 1.00 0.31 0.87 -0.73 0.00 0.00 179.01 180.56 4ayk h LYS 36 N 1.02 1.20 0.09 1.92 1.57 -1.08 -0.70 116.57 120.59 4ayk h LYS 36 Ca 0.20 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 4ayk h LYS 36 Cb 0.44 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.56 4ayk h LYS 36 CO 0.01 0.97 -0.04 0.00 -0.57 0.00 0.00 179.45 179.82 4ayk h ALA 37 N 1.17 -0.12 -0.60 3.86 0.00 -1.25 -0.12 119.26 122.20 4ayk h ALA 37 Ca 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.13 4ayk h ALA 37 Cb 0.23 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 4ayk h ALA 37 CO -0.02 -0.54 0.38 0.74 0.00 0.00 0.00 179.25 179.82 4ayk h PHE 38 N -0.17 0.77 -0.73 0.00 0.04 -1.33 -2.46 116.94 113.05 4ayk h PHE 38 Ca -0.01 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.78 4ayk h PHE 38 Cb 0.14 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.00 4ayk h PHE 38 CO -0.06 0.50 0.48 1.96 -0.60 0.00 0.00 178.31 180.59 4ayk h GLN 39 N 0.81 0.96 -0.98 1.51 1.08 -0.83 -0.05 115.11 117.61 4ayk h GLN 39 Ca 0.22 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.37 4ayk h GLN 39 Cb -0.07 -0.22 -0.05 0.00 -0.05 0.00 0.00 27.48 27.10 4ayk h GLN 39 CO -0.04 0.64 0.65 -0.07 -0.95 0.00 0.00 178.83 179.05 4ayk h LEU 40 N 0.99 1.12 -0.09 1.46 3.38 -0.56 0.31 115.31 121.92 4ayk h LEU 40 Ca 0.27 -0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.97 4ayk h LEU 40 Cb -0.11 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.37 4ayk h LEU 40 CO -0.06 0.81 -0.87 -0.50 0.09 0.00 0.00 178.44 177.92 4ayk h TRP 41 N 1.33 1.05 0.00 1.13 4.06 -1.14 -3.13 115.95 119.25 4ayk h TRP 41 Ca 0.36 -0.51 -0.06 0.00 2.06 0.00 0.00 58.89 60.75 4ayk h TRP 41 Cb -0.15 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 27.86 4ayk h TRP 41 CO -0.00 1.34 -0.27 1.03 -3.56 0.00 0.00 178.44 176.98 4ayk h SER 42 N 0.47 0.00 -0.89 -3.49 0.87 -0.63 -2.59 113.55 107.29 4ayk h SER 42 Ca -0.08 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.49 4ayk h SER 42 Cb 1.51 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.43 4ayk h SER 42 CO 0.18 0.27 0.59 0.78 -0.53 0.00 0.00 176.83 178.12 4ayk h ASN 43 N 0.00 1.03 -0.35 6.23 2.35 -0.33 -2.86 115.58 121.65 4ayk h ASN 43 Ca -0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 4ayk h ASN 43 Cb 0.59 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.70 4ayk h ASN 43 CO 0.04 0.75 0.00 1.33 -1.65 0.00 0.00 177.43 177.89 4ayk n VAL 44 N -4.40 1.47 -3.93 2.81 0.24 -1.14 -4.98 118.33 108.40 4ayk n VAL 44 Ca 0.10 -1.29 -0.10 0.00 -2.04 0.00 0.00 64.34 61.01 4ayk n VAL 44 Cb 0.02 0.24 -0.11 0.00 -1.47 0.00 0.00 33.84 32.52 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 -1.63 0.09 -2.00 3.34 -4.23 -0.99 -3.76 115.64 106.45 4ayk s THR 45 Ca 0.32 -0.72 0.07 0.00 -1.18 0.00 0.00 61.69 60.19 4ayk s THR 45 Cb 0.21 -0.27 0.21 0.00 1.34 0.00 0.00 72.50 73.99 4ayk s THR 45 CO 0.15 -0.39 0.96 -0.81 -0.54 0.00 0.00 174.62 173.99 4ayk n PRO 46 N 1.79 0.60 -2.23 3.99 -0.04 -1.26 -4.57 135.00 133.28 4ayk n PRO 46 Ca -0.22 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.90 4ayk n PRO 46 Cb 0.56 -1.19 -0.00 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.38 3.67 0.06 1.53 1.43 -1.26 -4.97 118.68 117.76 4ayk s LEU 47 Ca 0.11 2.00 0.04 0.00 -1.03 0.00 0.00 54.13 55.25 4ayk s LEU 47 Cb 0.05 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.68 4ayk s LEU 47 CO 0.09 -1.13 -0.13 0.42 0.23 0.00 0.00 176.35 175.83 4ayk s THR 48 N -2.06 0.98 0.14 5.49 -4.23 -1.11 -4.59 115.64 110.26 4ayk s THR 48 Ca 0.68 -1.20 0.06 0.00 -1.18 0.00 0.00 61.69 60.06 4ayk s THR 48 Cb -0.19 -0.96 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 4ayk s THR 48 CO 0.29 -0.22 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.66 4ayk s PHE 49 N -1.21 1.43 -0.21 3.99 0.40 -1.26 -1.74 117.98 119.38 4ayk s PHE 49 Ca -0.03 -0.58 -0.11 0.00 -0.60 0.00 0.00 56.93 55.60 4ayk s PHE 49 Cb -0.10 -0.73 0.07 0.00 0.51 0.00 0.00 43.02 42.77 4ayk s PHE 49 CO 0.02 0.17 0.51 0.99 0.70 0.00 0.00 175.22 177.61 4ayk s THR 50 N -2.40 -0.10 0.23 0.64 2.01 -0.99 -4.97 115.64 110.05 4ayk s THR 50 Ca 0.12 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 4ayk s THR 50 Cb -0.03 -0.76 -0.09 0.00 0.01 0.00 0.00 72.50 71.63 4ayk s THR 50 CO 0.03 0.03 0.98 -0.75 -0.69 0.00 0.00 174.62 174.22 4ayk s LYS 51 N 1.63 4.78 -0.05 4.92 2.20 -1.26 -2.65 119.74 129.32 4ayk s LYS 51 Ca -0.09 1.57 0.06 0.00 -0.36 0.00 0.00 55.97 57.15 4ayk s LYS 51 Cb -0.08 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 32.96 4ayk s LYS 51 CO -0.15 0.40 -0.24 0.14 -0.36 0.00 0.00 175.35 175.14 4ayk s VAL 52 N -1.02 2.16 -2.34 4.02 -7.23 -0.95 -4.92 120.40 110.12 4ayk s VAL 52 Ca 0.43 -1.04 0.24 0.00 -1.81 0.00 0.00 61.98 59.80 4ayk s VAL 52 Cb -0.27 -1.78 0.14 0.00 0.56 0.00 0.00 36.38 35.03 4ayk s VAL 52 CO 0.34 0.57 1.26 -0.24 -0.31 0.00 0.00 175.10 176.73 4ayk n SER 53 N 2.77 2.15 -3.88 4.85 2.88 -1.26 -4.66 113.62 116.48 4ayk n SER 53 Ca -0.17 -1.58 -0.10 0.00 -1.33 0.00 0.00 58.87 55.69 4ayk n SER 53 Cb 0.52 0.24 -0.09 0.00 -0.75 0.00 0.00 64.21 64.13 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 -2.29 0.67 0.01 -1.46 2.02 -1.26 -5.12 118.70 111.27 4ayk s GLU 54 Ca 0.24 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.52 4ayk s GLU 54 Cb 0.19 0.27 0.00 0.00 0.10 0.00 0.00 34.13 34.69 4ayk s GLU 54 CO 0.46 -0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.97 4ayk n GLY 55 N 0.65 -1.72 3.86 -1.39 0.00 -1.26 -4.90 105.19 100.43 4ayk n GLY 55 Ca -0.19 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 4ayk n GLY 55 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 4ayk s GLN 56 N -1.68 3.68 0.14 1.61 -2.07 -1.26 -5.07 119.66 115.01 4ayk s GLN 56 Ca 0.00 0.80 0.09 0.00 -1.82 0.00 0.00 55.36 54.43 4ayk s GLN 56 Cb 0.00 -2.09 -0.04 0.00 -1.09 0.00 0.00 33.01 29.79 4ayk s GLN 56 CO 0.00 -0.50 -0.22 0.00 -1.32 0.00 0.00 175.29 173.25 4ayk s ALA 57 N -3.05 2.12 0.24 2.60 0.00 -1.26 -5.03 121.76 117.38 4ayk s ALA 57 Ca 0.56 -1.44 -0.07 0.00 0.00 0.00 0.00 51.96 51.01 4ayk s ALA 57 Cb -0.11 -0.27 0.23 0.00 0.00 0.00 0.00 23.12 22.97 4ayk s ALA 57 CO 0.49 0.38 1.92 -0.44 0.00 0.00 0.00 175.76 178.10 4ayk h ASP 58 N 3.64 1.09 -3.14 0.00 3.32 -1.76 -3.39 116.42 116.18 4ayk h ASP 58 Ca -0.46 -0.03 -0.67 0.00 0.02 0.00 0.00 57.03 55.89 4ayk h ASP 58 Cb 1.19 -0.27 -0.35 0.00 0.22 0.00 0.00 39.33 40.12 4ayk h ASP 58 CO 0.44 0.79 -0.85 -0.63 -1.72 0.00 0.00 179.24 177.27 4ayk s ILE 59 N -6.12 2.10 -0.21 0.35 1.01 -0.57 -4.80 121.20 112.96 4ayk s ILE 59 Ca -0.13 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 59.43 4ayk s ILE 59 Cb 0.17 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.68 4ayk s ILE 59 CO 0.81 0.48 0.12 -0.04 0.00 0.00 0.00 174.94 176.31 4ayk s MET 60 N 1.28 4.06 -0.14 2.79 -1.94 -1.26 -2.50 119.30 121.59 4ayk s MET 60 Ca 0.04 -0.28 -0.03 0.00 -1.71 0.00 0.00 55.69 53.71 4ayk s MET 60 Cb -0.14 -3.40 -0.03 0.00 2.01 0.00 0.00 34.83 33.27 4ayk s MET 60 CO -0.12 0.18 -0.05 0.42 -0.01 0.00 0.00 175.02 175.44 4ayk s ILE 61 N 0.68 3.76 0.09 2.53 1.01 -0.86 -1.34 121.20 127.07 4ayk s ILE 61 Ca 0.06 -0.41 -0.09 0.00 0.00 0.00 0.00 60.65 60.22 4ayk s ILE 61 Cb -0.12 -2.63 -0.00 0.00 0.01 0.00 0.00 42.46 39.72 4ayk s ILE 61 CO 0.01 0.51 0.19 -0.94 0.00 0.00 0.00 174.94 174.71 4ayk s SER 62 N 0.22 0.13 -0.06 3.58 1.04 -1.09 -1.02 113.70 116.49 4ayk s SER 62 Ca -0.03 -0.66 0.02 0.00 0.48 0.00 0.00 55.95 55.76 4ayk s SER 62 Cb -0.14 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.29 4ayk s SER 62 CO 0.03 -0.73 -0.10 -0.36 0.98 0.00 0.00 173.24 173.06 4ayk s PHE 63 N -3.86 2.83 0.20 5.02 0.08 -1.26 -2.46 117.98 118.52 4ayk s PHE 63 Ca 0.05 -0.10 0.01 0.00 0.12 0.00 0.00 56.93 57.01 4ayk s PHE 63 Cb 0.05 -1.69 -0.05 0.00 -0.57 0.00 0.00 43.02 40.77 4ayk s PHE 63 CO -0.11 0.23 0.06 0.14 -0.10 0.00 0.00 175.22 175.44 4ayk s VAL 64 N -0.69 0.45 0.01 -0.44 -7.23 -1.08 -4.93 120.40 106.49 4ayk s VAL 64 Ca 0.10 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 4ayk s VAL 64 Cb -0.11 -2.34 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 4ayk s VAL 64 CO 0.01 -0.24 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.41 4ayk s ARG 65 N -4.01 0.21 1.40 4.82 0.52 -1.26 -2.23 118.95 118.39 4ayk s ARG 65 Ca 0.31 -0.32 0.00 0.00 -0.52 0.00 0.00 55.73 55.20 4ayk s ARG 65 Cb 0.07 -0.02 0.00 0.00 0.52 0.00 0.00 34.95 35.52 4ayk s ARG 65 CO 0.08 -0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.81 4ayk n GLY 66 N 2.35 0.95 3.71 -3.53 0.00 -1.26 -4.32 105.19 103.09 4ayk n GLY 66 Ca -0.18 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 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 6.94 -0.47 1.61 -1.08 -1.26 -4.10 116.67 114.32 4ayk s ASP 67 Ca 0.00 2.13 0.09 0.00 -0.52 0.00 0.00 52.55 54.25 4ayk s ASP 67 Cb 0.00 -2.58 0.34 0.00 -1.46 0.00 0.00 42.92 39.23 4ayk s ASP 67 CO 0.00 -0.59 0.83 0.00 0.52 0.00 0.00 175.17 175.93 4ayk n HIS 68 N 4.27 1.95 -3.64 -5.34 1.44 -1.26 -4.93 115.22 107.72 4ayk n HIS 68 Ca 0.11 -3.90 -0.24 0.00 -2.01 0.00 0.00 57.72 51.68 4ayk n HIS 68 Cb 0.44 -0.45 0.04 0.00 0.12 0.00 0.00 29.99 30.14 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 0.06 -3.26 -4.14 -1.40 1.74 -1.26 -4.99 116.66 103.40 4ayk n ARG 69 Ca 0.28 0.60 -0.11 0.00 -0.77 0.00 0.00 57.85 57.84 4ayk n ARG 69 Cb 0.54 -4.92 -0.09 0.00 -1.02 0.00 0.00 32.46 26.96 4ayk n ARG 69 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 4ayk s ASP 70 N -3.93 0.11 0.00 0.55 -4.77 -1.26 -5.03 116.67 102.33 4ayk s ASP 70 Ca 0.22 -1.26 0.19 0.00 -3.30 0.00 0.00 52.55 48.40 4ayk s ASP 70 Cb -0.06 0.42 0.53 0.00 -1.09 0.00 0.00 42.92 42.71 4ayk s ASP 70 CO 0.82 -0.90 1.44 0.59 0.70 0.00 0.00 175.17 177.82 4ayk n ASN 71 N -0.28 3.10 -3.25 2.11 3.02 -1.26 -4.50 115.26 114.21 4ayk n ASN 71 Ca 0.00 -1.98 -0.25 0.00 -0.03 0.00 0.00 54.58 52.33 4ayk n ASN 71 Cb 0.65 -0.36 -0.07 0.00 -0.61 0.00 0.00 39.78 39.39 4ayk n ASN 71 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 4ayk n SER 72 N 1.20 0.62 -4.77 6.41 7.64 -1.26 -5.12 113.62 118.34 4ayk n SER 72 Ca 0.19 -2.77 -0.38 0.00 1.01 0.00 0.00 58.87 56.93 4ayk n SER 72 Cb 0.50 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 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 -1.25 3.67 0.38 1.43 0.05 -1.26 -4.99 135.00 133.03 4ayk s PRO 73 Ca 0.35 1.93 -0.25 0.00 0.05 0.00 0.00 61.00 63.09 4ayk s PRO 73 Cb 0.15 -2.44 -0.09 0.00 0.05 0.00 0.00 34.50 32.17 4ayk s PRO 73 CO -0.11 -0.67 1.07 -0.06 0.05 0.00 0.00 177.00 177.28 4ayk s PHE 74 N -1.44 3.32 -0.91 0.56 0.40 -1.26 -4.98 117.98 113.67 4ayk s PHE 74 Ca 0.64 1.65 -0.01 0.00 -0.60 0.00 0.00 56.93 58.61 4ayk s PHE 74 Cb -0.33 -3.17 0.27 0.00 0.51 0.00 0.00 43.02 40.30 4ayk s PHE 74 CO 0.40 -0.65 1.09 -3.47 0.70 0.00 0.00 175.22 173.29 4ayk n ASP 75 N 0.18 5.11 -0.13 1.36 -0.08 -1.26 -4.74 116.55 116.98 4ayk n ASP 75 Ca 0.04 -3.35 0.00 0.00 -1.51 0.00 0.00 54.79 49.97 4ayk n ASP 75 Cb 0.48 -1.05 0.00 0.00 2.34 0.00 0.00 41.12 42.90 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 1.44 -1.59 0.00 0.27 0.00 -1.26 -3.71 105.19 100.34 4ayk n GLY 76 Ca 0.26 -1.30 0.05 0.00 0.00 0.00 0.00 46.02 45.03 4ayk n GLY 76 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 4ayk n PRO 77 N -0.27 0.01 -2.82 1.61 -0.02 -1.26 -4.73 135.00 127.52 4ayk n PRO 77 Ca 0.00 0.33 -0.19 0.00 -2.02 0.00 0.00 63.50 61.62 4ayk n PRO 77 Cb 0.00 -1.51 0.03 0.00 -0.02 0.00 0.00 33.50 31.99 4ayk n PRO 77 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 4ayk s GLY 78 N -3.02 1.88 0.00 -1.23 0.00 -1.24 -4.97 107.32 98.75 4ayk s GLY 78 Ca 0.05 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.26 4ayk s GLY 78 CO 0.18 -1.27 0.00 0.61 0.00 0.00 0.00 173.10 172.63 4ayk n GLY 79 N -2.11 -0.29 3.77 0.20 0.00 -1.26 -4.15 105.19 101.35 4ayk n GLY 79 Ca 0.08 -1.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 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 6.95 0.10 1.61 0.01 -1.26 -4.94 114.94 113.42 4ayk s ASN 80 Ca 0.00 2.23 0.23 0.00 -0.71 0.00 0.00 52.86 54.61 4ayk s ASN 80 Cb 0.00 -2.61 0.10 0.00 0.41 0.00 0.00 41.25 39.15 4ayk s ASN 80 CO 0.00 -0.36 1.08 0.18 -1.51 0.00 0.00 177.10 176.49 4ayk n LEU 81 N 0.58 0.66 -3.71 0.60 4.77 -1.26 -4.95 117.00 113.69 4ayk n LEU 81 Ca 0.02 0.13 -0.00 0.00 -0.03 0.00 0.00 56.01 56.13 4ayk n LEU 81 Cb 0.46 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.44 4ayk n LEU 81 CO 0.51 -0.04 0.95 0.00 -1.33 0.00 0.00 177.39 177.48 4ayk s ALA 82 N -3.25 -2.05 -0.30 -1.18 0.00 -1.26 -1.78 121.76 111.95 4ayk s ALA 82 Ca 0.03 0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.27 4ayk s ALA 82 Cb 0.13 0.51 0.14 0.00 0.00 0.00 0.00 23.12 23.90 4ayk s ALA 82 CO 0.78 -1.06 0.76 -3.38 0.00 0.00 0.00 175.76 172.87 4ayk s HIS 83 N -2.61 -1.10 0.59 0.00 -3.43 -1.09 -5.01 115.29 102.64 4ayk s HIS 83 Ca 0.15 1.94 -0.08 0.00 -0.80 0.00 0.00 55.06 56.27 4ayk s HIS 83 Cb 0.02 0.66 -0.02 0.00 -1.43 0.00 0.00 32.58 31.82 4ayk s HIS 83 CO -0.01 -0.55 0.94 0.00 -2.00 0.00 0.00 174.74 173.13 4ayk s ALA 84 N 2.62 3.19 0.03 -1.38 0.00 -1.26 -3.03 121.76 121.93 4ayk s ALA 84 Ca -0.05 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.53 4ayk s ALA 84 Cb -0.09 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 4ayk s ALA 84 CO -0.18 -0.71 0.01 -0.06 0.00 0.00 0.00 175.76 174.82 4ayk s PHE 85 N -3.05 3.07 0.54 0.00 0.08 -0.95 -4.97 117.98 112.70 4ayk s PHE 85 Ca 0.53 0.06 -0.22 0.00 0.12 0.00 0.00 56.93 57.42 4ayk s PHE 85 Cb -0.11 -1.63 -0.05 0.00 -0.57 0.00 0.00 43.02 40.66 4ayk s PHE 85 CO 0.49 0.47 1.37 1.04 -0.10 0.00 0.00 175.22 178.49 4ayk n GLN 86 N 1.08 1.73 -1.68 0.44 6.02 -1.26 -3.39 117.38 120.32 4ayk n GLN 86 Ca -0.13 0.63 -0.45 0.00 -0.01 0.00 0.00 57.00 57.04 4ayk n GLN 86 Cb 0.52 -2.58 -0.04 0.00 1.02 0.00 0.00 30.24 29.16 4ayk n GLN 86 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 4ayk n PRO 87 N -0.97 2.36 0.00 -1.09 -0.01 -1.26 -1.88 135.00 132.15 4ayk n PRO 87 Ca 0.10 0.86 0.00 0.00 -0.01 0.00 0.00 63.50 64.45 4ayk n PRO 87 Cb 0.44 -2.69 0.00 0.00 -0.01 0.00 0.00 33.50 31.25 4ayk n PRO 87 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 4ayk n GLY 88 N 3.95 -0.24 2.62 -1.23 0.00 -1.24 -4.75 105.19 104.30 4ayk n GLY 88 Ca 0.19 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 4ayk n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 4ayk n PRO 89 N -0.09 -3.12 0.00 1.61 -0.04 -1.26 -3.09 135.00 129.01 4ayk n PRO 89 Ca 0.00 -1.28 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 4ayk n PRO 89 Cb 0.00 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 4ayk n PRO 89 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 4ayk n GLY 90 N -3.50 3.55 0.00 0.55 0.00 -1.26 -0.06 105.19 104.47 4ayk n GLY 90 Ca 0.11 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.22 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 0.05 -1.73 -0.61 3.06 -1.26 -4.82 119.36 114.04 4ayk n ILE 91 Ca 0.00 0.01 -0.42 0.00 -2.50 0.00 0.00 62.75 59.84 4ayk n ILE 91 Cb 0.00 -0.54 -0.02 0.00 0.54 0.00 0.00 39.64 39.62 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 1.07 1.47 1.51 4.50 0.00 0.91 -1.23 105.19 113.42 4ayk n GLY 92 Ca 0.16 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.72 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 3.12 3.11 3.76 -0.02 0.00 -0.79 -3.69 105.19 110.68 4ayk n GLY 93 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.16 4.32 -0.07 1.61 1.11 -0.36 -4.04 116.67 118.08 4ayk s ASP 94 Ca 0.00 1.86 -0.01 0.00 0.18 0.00 0.00 52.55 54.59 4ayk s ASP 94 Cb 0.00 -2.52 0.03 0.00 1.07 0.00 0.00 42.92 41.49 4ayk s ASP 94 CO 0.00 -2.16 -0.01 0.00 1.18 0.00 0.00 175.17 174.18 4ayk s ALA 95 N -2.88 0.72 -0.14 5.23 0.00 -0.45 -2.24 121.76 122.01 4ayk s ALA 95 Ca 0.62 -0.13 -0.09 0.00 0.00 0.00 0.00 51.96 52.36 4ayk s ALA 95 Cb -0.18 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 4ayk s ALA 95 CO 0.56 -0.35 0.17 -1.01 0.00 0.00 0.00 175.76 175.13 4ayk s HIS 96 N 1.71 3.54 -0.11 0.00 3.76 -1.17 -2.67 115.29 120.35 4ayk s HIS 96 Ca 0.01 0.51 0.02 0.00 -0.15 0.00 0.00 55.06 55.46 4ayk s HIS 96 Cb -0.13 -2.07 -0.01 0.00 1.11 0.00 0.00 32.58 31.48 4ayk s HIS 96 CO -0.04 0.56 -0.17 -0.06 -0.85 0.00 0.00 174.74 174.17 4ayk s PHE 97 N -0.50 2.70 -0.04 1.40 0.40 -1.03 -2.66 117.98 118.25 4ayk s PHE 97 Ca 0.14 -0.71 -0.30 0.00 -0.60 0.00 0.00 56.93 55.46 4ayk s PHE 97 Cb -0.12 -1.77 -0.05 0.00 0.51 0.00 0.00 43.02 41.59 4ayk s PHE 97 CO 0.03 -0.23 1.55 0.34 0.70 0.00 0.00 175.22 177.61 4ayk s ASP 98 N 0.20 6.73 0.00 1.36 -1.08 -0.73 -2.62 116.67 120.53 4ayk s ASP 98 Ca -0.10 2.18 0.24 0.00 -0.52 0.00 0.00 52.55 54.34 4ayk s ASP 98 Cb -0.16 -2.54 0.17 0.00 -1.46 0.00 0.00 42.92 38.93 4ayk s ASP 98 CO 0.06 -0.86 1.24 1.21 0.52 0.00 0.00 175.17 177.34 4ayk n GLU 99 N 6.47 2.20 0.15 4.34 2.13 -0.95 -4.23 120.64 130.76 4ayk n GLU 99 Ca 0.16 -1.83 0.13 0.00 0.66 0.00 0.00 57.16 56.27 4ayk n GLU 99 Cb 0.43 -1.46 0.48 0.00 0.27 0.00 0.00 31.44 31.16 4ayk n GLU 99 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 4ayk h ASP 100 N 4.46 0.00 -2.20 4.31 3.32 -1.89 -3.44 116.42 120.99 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 0.97 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.49 4ayk h ASP 100 CO 0.00 0.00 -0.48 -1.61 -1.72 0.00 0.00 179.24 175.43 4ayk s GLU 101 N -3.31 3.15 -0.22 3.56 2.02 -1.26 -4.94 118.70 117.71 4ayk s GLU 101 Ca 0.05 -0.92 -0.21 0.00 0.02 0.00 0.00 54.97 53.91 4ayk s GLU 101 Cb 0.10 -2.71 -0.02 0.00 0.10 0.00 0.00 34.13 31.60 4ayk s GLU 101 CO 0.48 0.41 0.63 0.50 0.02 0.00 0.00 175.26 177.30 4ayk s ARG 102 N -3.90 4.18 0.29 1.61 3.52 -1.26 -5.05 118.95 118.34 4ayk s ARG 102 Ca 0.33 0.60 -0.10 0.00 -0.13 0.00 0.00 55.73 56.43 4ayk s ARG 102 Cb -0.08 -3.60 -0.07 0.00 -1.56 0.00 0.00 34.95 29.63 4ayk s ARG 102 CO 0.27 -0.30 0.63 -1.58 -0.81 0.00 0.00 175.30 173.50 4ayk s TRP 103 N 2.13 3.43 0.22 5.12 0.52 -1.26 -4.70 118.94 124.39 4ayk s TRP 103 Ca 0.28 0.93 0.08 0.00 0.02 0.00 0.00 56.10 57.41 4ayk s TRP 103 Cb -0.16 -2.32 -0.05 0.00 -1.15 0.00 0.00 33.47 29.79 4ayk s TRP 103 CO 0.10 0.15 -0.14 0.95 0.02 0.00 0.00 176.95 178.02 4ayk s THR 104 N -2.00 1.79 -0.33 2.01 -4.23 -1.26 -4.89 115.64 106.73 4ayk s THR 104 Ca 0.49 -2.22 0.08 0.00 -1.18 0.00 0.00 61.69 58.85 4ayk s THR 104 Cb -0.11 -2.09 0.56 0.00 1.34 0.00 0.00 72.50 72.20 4ayk s THR 104 CO 0.24 -0.56 1.60 0.59 -0.54 0.00 0.00 174.62 175.94 4ayk n ASN 105 N -0.41 2.94 -0.50 3.99 3.02 -1.26 -3.91 115.26 119.12 4ayk n ASN 105 Ca -0.08 -3.69 0.00 0.00 -0.03 0.00 0.00 54.58 50.78 4ayk n ASN 105 Cb 0.61 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 4ayk n ASN 105 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 4ayk n ASN 106 N -1.08 0.00 -1.10 6.41 2.04 -1.26 -5.00 115.26 115.27 4ayk n ASN 106 Ca 0.40 -0.50 -0.01 0.00 -0.44 0.00 0.00 54.58 54.03 4ayk n ASN 106 Cb 1.21 0.00 0.01 0.00 -2.53 0.00 0.00 39.78 38.47 4ayk n ASN 106 CO 0.00 0.00 0.00 2.22 -0.44 0.00 0.00 177.26 179.04 4ayk n PHE 107 N 0.00 0.16 -1.18 -2.53 -1.74 -1.26 -4.78 117.46 106.14 4ayk n PHE 107 Ca 0.00 -0.61 -0.15 0.00 -0.56 0.00 0.00 57.45 56.12 4ayk n PHE 107 Cb 0.00 -0.31 0.12 0.00 1.52 0.00 0.00 39.48 40.81 4ayk n PHE 107 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 4ayk n ARG 108 N 0.49 -1.29 -0.07 3.97 5.12 -1.26 -4.93 116.66 118.69 4ayk n ARG 108 Ca 0.03 -1.00 -0.14 0.00 -1.93 0.00 0.00 57.85 54.81 4ayk n ARG 108 Cb 0.56 -0.77 -0.10 0.00 -1.16 0.00 0.00 32.46 30.99 4ayk n ARG 108 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 4ayk h GLU 109 N 0.00 -0.48 -6.93 5.56 3.07 -1.98 -3.41 114.58 110.42 4ayk h GLU 109 Ca -0.22 0.03 -0.48 0.00 -0.50 0.00 0.00 59.36 58.19 4ayk h GLU 109 Cb 0.63 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 4ayk h GLU 109 CO 0.15 -0.32 0.21 0.71 -1.40 0.00 0.00 179.01 178.36 4ayk s TYR 110 N -5.69 3.41 -0.35 4.33 2.02 -1.26 -4.83 117.35 114.97 4ayk s TYR 110 Ca -0.15 1.29 0.00 0.00 -0.37 0.00 0.00 57.07 57.84 4ayk s TYR 110 Cb 0.08 -2.62 0.14 0.00 -0.40 0.00 0.00 41.96 39.16 4ayk s TYR 110 CO 0.62 -0.11 0.23 -0.80 -1.57 0.00 0.00 175.55 173.91 4ayk s ASN 111 N -2.72 2.77 0.15 2.29 0.01 -1.26 -4.18 114.94 112.01 4ayk s ASN 111 Ca 0.56 -2.10 -0.17 0.00 -0.71 0.00 0.00 52.86 50.44 4ayk s ASN 111 Cb -0.10 -0.28 -0.00 0.00 0.41 0.00 0.00 41.25 41.27 4ayk s ASN 111 CO 0.24 -0.31 1.81 0.25 -1.51 0.00 0.00 177.10 177.58 4ayk h LEU 112 N 7.05 0.41 -0.43 0.60 5.85 -1.93 -1.62 115.31 125.25 4ayk h LEU 112 Ca 0.05 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.77 4ayk h LEU 112 Cb 0.98 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 4ayk h LEU 112 CO 0.26 0.30 0.28 -0.74 -0.34 0.00 0.00 178.44 178.20 4ayk h HIS 113 N 0.49 0.54 -0.98 1.25 2.76 -1.90 0.22 115.15 117.52 4ayk h HIS 113 Ca 0.13 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.34 4ayk h HIS 113 Cb -0.06 -0.18 -0.05 0.00 1.55 0.00 0.00 27.41 28.67 4ayk h HIS 113 CO -0.05 0.34 0.65 -0.09 -1.30 0.00 0.00 177.93 177.48 4ayk h ARG 114 N 0.58 1.25 -0.37 5.26 2.43 -1.90 -1.21 114.38 120.42 4ayk h ARG 114 Ca 0.16 -0.08 -0.17 0.00 -0.81 0.00 0.00 59.98 59.08 4ayk h ARG 114 Cb -0.06 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 29.20 4ayk h ARG 114 CO -0.03 0.83 -0.41 0.28 -1.51 0.00 0.00 179.97 179.12 4ayk h VAL 115 N 1.29 1.27 -0.96 0.20 2.07 -0.65 -2.52 116.25 116.95 4ayk h VAL 115 Ca 0.37 -1.59 0.03 0.00 0.82 0.00 0.00 66.70 66.34 4ayk h VAL 115 Cb -0.08 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 4ayk h VAL 115 CO -0.10 0.53 0.62 0.00 0.02 0.00 0.00 177.57 178.65 4ayk h ALA 116 N 0.76 1.26 -0.71 1.67 0.00 0.20 0.36 119.26 122.80 4ayk h ALA 116 Ca 0.05 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 4ayk h ALA 116 Cb 1.01 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 4ayk h ALA 116 CO 0.10 0.52 0.23 0.00 0.00 0.00 0.00 179.25 180.10 4ayk h ALA 117 N 1.39 0.93 0.02 0.00 0.00 -1.11 -0.66 119.26 119.83 4ayk h ALA 117 Ca 0.38 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 4ayk h ALA 117 Cb -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.50 4ayk h ALA 117 CO -0.12 0.61 -0.01 1.25 0.00 0.00 0.00 179.25 180.98 4ayk h HIS 118 N 1.05 -0.02 -0.84 0.00 6.17 -0.81 -2.08 115.15 118.61 4ayk h HIS 118 Ca 0.23 -0.00 0.05 0.00 0.71 0.00 0.00 60.37 61.36 4ayk h HIS 118 Cb 0.29 0.01 -0.06 0.00 2.52 0.00 0.00 27.41 30.17 4ayk h HIS 118 CO 0.02 0.41 0.52 0.93 0.71 0.00 0.00 177.93 180.52 4ayk h GLU 119 N -0.46 0.93 -0.65 5.26 5.08 -0.21 -1.11 114.58 123.42 4ayk h GLU 119 Ca -0.00 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 4ayk h GLU 119 Cb 0.44 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 4ayk h GLU 119 CO 0.00 0.62 0.25 -0.07 -1.00 0.00 0.00 179.01 178.82 4ayk h LEU 120 N 0.96 0.88 -0.70 1.33 3.38 -1.06 -2.26 115.31 117.84 4ayk h LEU 120 Ca 0.36 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.26 4ayk h LEU 120 Cb 0.13 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 4ayk h LEU 120 CO -0.16 0.79 0.40 1.23 0.09 0.00 0.00 178.44 180.79 4ayk h GLY 121 N 1.03 1.04 1.32 0.83 0.00 -0.48 0.10 103.07 106.91 4ayk h GLY 121 Ca 0.22 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 4ayk h GLY 121 CO -0.02 0.18 0.05 0.45 0.00 0.00 0.00 176.54 177.20 4ayk h HIS 122 N 0.74 0.88 0.00 5.60 3.86 -1.09 0.13 115.15 125.27 4ayk h HIS 122 Ca 0.31 -0.11 -0.03 0.00 -1.16 0.00 0.00 60.37 59.38 4ayk h HIS 122 Cb 0.18 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 4ayk h HIS 122 CO -0.07 0.79 -0.13 0.66 0.86 0.00 0.00 177.93 180.03 4ayk h SER 123 N 0.79 0.00 0.13 2.45 4.64 -0.62 -1.12 113.55 119.83 4ayk h SER 123 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 4ayk h SER 123 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 4ayk h SER 123 CO 0.01 0.13 -0.05 0.18 -0.87 0.00 0.00 176.83 176.23 4ayk n LEU 124 N -3.32 0.72 0.00 5.97 4.77 0.21 -4.61 117.00 120.74 4ayk n LEU 124 Ca -0.00 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 4ayk n LEU 124 Cb 0.36 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 4ayk n LEU 124 CO 0.31 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 4ayk n GLY 125 N 1.17 0.54 3.73 -0.72 0.00 -0.42 -4.97 105.19 104.52 4ayk n GLY 125 Ca 0.18 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 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 4.40 0.55 0.99 1.43 -0.09 -5.00 118.68 120.96 4ayk s LEU 126 Ca 0.00 1.49 -0.05 0.00 -1.03 0.00 0.00 54.13 54.54 4ayk s LEU 126 Cb 0.00 -3.34 -0.00 0.00 0.03 0.00 0.00 46.19 42.88 4ayk s LEU 126 CO 0.00 -0.10 0.84 -0.44 0.23 0.00 0.00 176.35 176.88 4ayk s SER 127 N 0.46 5.76 0.78 2.29 0.01 -1.26 -4.36 113.70 117.38 4ayk s SER 127 Ca 0.43 0.69 -0.12 0.00 1.31 0.00 0.00 55.95 58.26 4ayk s SER 127 Cb -0.20 -1.78 0.07 0.00 0.21 0.00 0.00 66.02 64.31 4ayk s SER 127 CO 0.24 -0.91 1.13 -1.00 0.41 0.00 0.00 173.24 173.11 4ayk s HIS 128 N -2.88 2.22 0.27 2.43 0.09 -1.26 -5.02 115.29 111.14 4ayk s HIS 128 Ca 0.52 1.63 0.04 0.00 -0.00 0.00 0.00 55.06 57.24 4ayk s HIS 128 Cb -0.10 -3.23 -0.06 0.00 -0.00 0.00 0.00 32.58 29.19 4ayk s HIS 128 CO 0.44 -2.21 0.02 0.45 -0.00 0.00 0.00 174.74 173.44 4ayk s SER 129 N -2.78 1.97 -0.01 1.40 0.15 -1.21 -5.04 113.70 108.17 4ayk s SER 129 Ca 0.66 -1.29 0.15 0.00 0.70 0.00 0.00 55.95 56.18 4ayk s SER 129 Cb -0.22 -0.01 0.46 0.00 -1.71 0.00 0.00 66.02 64.54 4ayk s SER 129 CO 0.52 -0.56 1.38 0.35 1.20 0.00 0.00 173.24 176.13 4ayk n THR 130 N -0.52 1.09 -2.74 6.45 -2.24 -1.26 -4.46 114.28 110.61 4ayk n THR 130 Ca -0.04 -1.04 -0.43 0.00 -2.27 0.00 0.00 64.05 60.28 4ayk n THR 130 Cb 0.65 0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 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 -1.03 7.01 0.54 3.42 -1.08 -1.26 -4.91 116.67 119.36 4ayk s ASP 131 Ca 0.34 1.27 0.21 0.00 -0.52 0.00 0.00 52.55 53.85 4ayk s ASP 131 Cb 0.19 -2.51 1.42 0.00 -1.46 0.00 0.00 42.92 40.56 4ayk s ASP 131 CO 0.22 -0.61 2.14 -0.29 0.52 0.00 0.00 175.17 177.15 4ayk h ILE 132 N 5.44 0.83 -0.00 4.11 2.10 -1.99 -0.23 117.51 127.76 4ayk h ILE 132 Ca -0.21 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.73 4ayk h ILE 132 Cb 1.07 0.94 0.00 0.00 -1.09 0.00 0.00 36.82 37.75 4ayk h ILE 132 CO 0.94 0.00 -0.05 0.61 -1.08 0.00 0.00 178.15 178.57 4ayk n GLY 133 N -1.51 -1.27 3.73 8.18 0.00 -1.26 -4.80 105.19 108.27 4ayk n GLY 133 Ca -0.01 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.69 3.33 0.46 4.61 0.00 -0.10 -4.51 121.76 122.85 4ayk s ALA 134 Ca 0.24 0.31 0.29 0.00 0.00 0.00 0.00 51.96 52.79 4ayk s ALA 134 Cb 0.20 -3.05 1.56 0.00 0.00 0.00 0.00 23.12 21.83 4ayk s ALA 134 CO 0.50 -0.01 2.12 -0.07 0.00 0.00 0.00 175.76 178.30 4ayk h LEU 135 N 6.00 0.00 -4.95 0.00 3.38 -1.86 -3.23 115.31 114.65 4ayk h LEU 135 Ca -0.43 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.16 4ayk h LEU 135 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 4ayk h LEU 135 CO 0.72 0.09 2.08 0.23 0.09 0.00 0.00 178.44 181.65 4ayk n MET 136 N -3.66 2.33 -2.26 1.13 2.81 -1.26 -4.89 117.12 111.33 4ayk n MET 136 Ca -0.02 -1.43 -0.41 0.00 -1.81 0.00 0.00 57.70 54.03 4ayk n MET 136 Cb 0.20 -2.36 -0.03 0.00 -0.71 0.00 0.00 33.22 30.32 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 2.48 3.28 -2.00 2.03 5.04 -1.22 -3.33 117.35 123.62 4ayk s TYR 137 Ca 0.51 1.41 0.01 0.00 -2.44 0.00 0.00 57.07 56.56 4ayk s TYR 137 Cb 0.16 -3.54 0.09 0.00 0.35 0.00 0.00 41.96 39.02 4ayk s TYR 137 CO -0.03 -1.51 0.34 -0.35 -1.34 0.00 0.00 175.55 172.65 4ayk n PRO 138 N 1.74 0.17 -3.82 4.97 -0.04 -1.26 -4.70 135.00 132.04 4ayk n PRO 138 Ca 0.02 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.42 4ayk n PRO 138 Cb 0.43 -1.14 -0.02 0.00 -0.04 0.00 0.00 33.50 32.73 4ayk n PRO 138 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 4ayk s SER 139 N -1.88 -0.25 -0.01 3.54 1.04 -1.26 -5.14 113.70 109.74 4ayk s SER 139 Ca 0.02 -0.54 -0.23 0.00 0.48 0.00 0.00 55.95 55.69 4ayk s SER 139 Cb 0.01 0.67 -0.05 0.00 0.10 0.00 0.00 66.02 66.75 4ayk s SER 139 CO 0.02 -1.23 0.67 -0.47 0.98 0.00 0.00 173.24 173.21 4ayk s TYR 140 N -3.75 3.66 -0.03 5.02 6.14 -1.26 -5.06 117.35 122.06 4ayk s TYR 140 Ca 0.11 1.28 -0.08 0.00 0.64 0.00 0.00 57.07 59.02 4ayk s TYR 140 Cb -0.05 -2.73 0.01 0.00 0.42 0.00 0.00 41.96 39.62 4ayk s TYR 140 CO 0.05 0.24 0.19 0.95 0.64 0.00 0.00 175.55 177.62 4ayk s THR 141 N 0.18 0.04 0.38 4.34 -4.23 -1.26 -5.03 115.64 110.07 4ayk s THR 141 Ca 0.35 -0.37 0.18 0.00 -1.18 0.00 0.00 61.69 60.67 4ayk s THR 141 Cb -0.19 -0.40 0.18 0.00 1.34 0.00 0.00 72.50 73.43 4ayk s THR 141 CO 0.19 -0.20 1.93 2.19 -0.54 0.00 0.00 174.62 178.18 4ayk h PHE 142 N 4.87 0.00 -3.84 3.99 -5.15 -1.97 -3.42 116.94 111.41 4ayk h PHE 142 Ca -0.28 0.00 -0.49 0.00 -0.20 0.00 0.00 57.97 57.00 4ayk h PHE 142 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.36 4ayk h PHE 142 CO 0.50 0.25 0.40 -1.12 -2.00 0.00 0.00 178.31 176.35 4ayk s SER 143 N -6.68 7.27 0.00 -0.68 0.01 -1.26 -4.94 113.70 107.42 4ayk s SER 143 Ca -0.03 2.06 0.00 0.00 1.31 0.00 0.00 55.95 59.29 4ayk s SER 143 Cb 0.14 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.77 4ayk s SER 143 CO 0.67 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.81 4ayk n GLY 144 N 0.96 3.38 3.88 3.44 0.00 -1.26 -5.14 105.19 110.45 4ayk n GLY 144 Ca 0.01 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 4ayk n GLY 144 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 4ayk s ASP 145 N 0.00 6.46 -1.16 1.61 -1.08 -1.26 -4.97 116.67 116.26 4ayk s ASP 145 Ca 0.00 1.17 -0.18 0.00 -0.52 0.00 0.00 52.55 53.03 4ayk s ASP 145 Cb 0.00 -2.34 0.11 0.00 -1.46 0.00 0.00 42.92 39.22 4ayk s ASP 145 CO 0.00 -0.50 1.50 -0.69 0.52 0.00 0.00 175.17 176.00 4ayk s VAL 146 N -2.55 4.46 -0.04 1.11 1.01 -1.26 -4.92 120.40 118.21 4ayk s VAL 146 Ca 0.52 -1.88 -0.13 0.00 0.00 0.00 0.00 61.98 60.49 4ayk s VAL 146 Cb -0.10 -5.02 0.02 0.00 0.00 0.00 0.00 36.38 31.28 4ayk s VAL 146 CO 0.36 -1.81 0.30 -1.10 0.00 0.00 0.00 175.10 172.85 4ayk s GLN 147 N 3.32 0.57 0.11 2.72 -0.21 -1.26 -5.13 119.66 119.77 4ayk s GLN 147 Ca 0.46 -0.04 -0.30 0.00 0.02 0.00 0.00 55.36 55.50 4ayk s GLN 147 Cb -0.00 0.26 -0.06 0.00 1.00 0.00 0.00 33.01 34.21 4ayk s GLN 147 CO -0.00 -0.14 1.01 -0.51 -2.12 0.00 0.00 175.29 173.53 4ayk s LEU 148 N -0.92 4.47 0.53 2.90 1.43 -1.26 -4.69 118.68 121.13 4ayk s LEU 148 Ca -0.10 1.86 -0.01 0.00 -1.03 0.00 0.00 54.13 54.85 4ayk s LEU 148 Cb -0.05 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.60 4ayk s LEU 148 CO 0.03 -0.16 0.77 0.00 0.23 0.00 0.00 176.35 177.22 4ayk s ALA 149 N 0.18 3.65 0.24 4.21 0.00 -1.26 -4.87 121.76 123.91 4ayk s ALA 149 Ca 0.49 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.35 4ayk s ALA 149 Cb -0.25 -2.26 0.23 0.00 0.00 0.00 0.00 23.12 20.85 4ayk s ALA 149 CO 0.31 -0.63 1.89 0.37 0.00 0.00 0.00 175.76 177.70 4ayk h GLN 150 N 0.12 1.30 -0.96 0.00 4.15 -1.96 0.18 115.11 117.94 4ayk h GLN 150 Ca -0.45 -0.11 0.02 0.00 0.77 0.00 0.00 58.65 58.87 4ayk h GLN 150 Cb 1.27 -0.27 -0.05 0.00 0.21 0.00 0.00 27.48 28.64 4ayk h GLN 150 CO 0.57 0.90 0.63 0.22 -1.93 0.00 0.00 178.83 179.22 4ayk h ASP 151 N 1.32 1.09 -0.08 -0.69 1.82 -1.97 0.28 116.42 118.18 4ayk h ASP 151 Ca 0.34 -0.02 -0.19 0.00 -0.39 0.00 0.00 57.03 56.77 4ayk h ASP 151 Cb -0.07 -0.27 0.01 0.00 0.68 0.00 0.00 39.33 39.69 4ayk h ASP 151 CO -0.07 0.78 -0.68 0.44 -1.61 0.00 0.00 179.24 178.11 4ayk h ASP 152 N 1.28 0.73 -0.07 2.28 3.32 -1.71 -2.22 116.42 120.04 4ayk h ASP 152 Ca 0.36 -0.68 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 4ayk h ASP 152 Cb -0.12 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.21 4ayk h ASP 152 CO -0.09 1.30 0.03 0.40 -1.72 0.00 0.00 179.24 179.16 4ayk h ILE 153 N 0.23 1.12 -0.96 0.35 2.04 -0.26 -2.52 117.51 117.51 4ayk h ILE 153 Ca -0.06 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.44 4ayk h ILE 153 Cb 1.33 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 38.61 4ayk h ILE 153 CO 0.14 0.11 0.62 0.44 0.00 0.00 0.00 178.15 179.46 4ayk h ASP 154 N -0.02 1.12 0.58 1.72 3.32 -0.52 -0.59 116.42 122.03 4ayk h ASP 154 Ca 0.02 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 4ayk h ASP 154 Cb 0.14 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.42 4ayk h ASP 154 CO -0.00 0.83 -0.28 1.23 -1.72 0.00 0.00 179.24 179.29 4ayk h GLY 155 N 1.31 -0.82 1.16 2.75 0.00 -1.14 0.49 103.07 106.82 4ayk h GLY 155 Ca 0.35 0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.89 4ayk h GLY 155 CO -0.07 -0.30 0.01 1.19 0.00 0.00 0.00 176.54 177.37 4ayk h ILE 156 N -0.79 1.26 -0.53 2.60 6.09 -1.39 -2.49 117.51 122.27 4ayk h ILE 156 Ca -0.08 -1.12 -0.11 0.00 -1.37 0.00 0.00 64.86 62.18 4ayk h ILE 156 Cb 0.60 0.80 -0.02 0.00 0.47 0.00 0.00 36.82 38.68 4ayk h ILE 156 CO 0.13 0.40 -0.10 1.56 -3.07 0.00 0.00 178.15 177.07 4ayk h GLN 157 N 0.93 0.99 -0.83 2.19 4.20 -0.97 -2.59 115.11 119.03 4ayk h GLN 157 Ca 0.17 -0.36 0.01 0.00 0.06 0.00 0.00 58.65 58.53 4ayk h GLN 157 Cb 0.53 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 4ayk h GLN 157 CO 0.03 1.03 0.54 0.00 -0.67 0.00 0.00 178.83 179.76 4ayk h ALA 158 N 0.99 1.05 -0.17 3.87 0.00 0.24 2.41 119.26 127.65 4ayk h ALA 158 Ca 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 4ayk h ALA 158 Cb 0.66 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 4ayk h ALA 158 CO 0.05 0.46 0.07 0.82 0.00 0.00 0.00 179.25 180.65 4ayk h ILE 159 N 1.12 1.15 0.00 0.00 2.04 -1.22 -3.39 117.51 117.22 4ayk h ILE 159 Ca 0.30 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.71 4ayk h ILE 159 Cb -0.12 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 4ayk h ILE 159 CO -0.06 0.14 -0.82 -1.22 0.00 0.00 0.00 178.15 176.19 4ayk n TYR 160 N -4.86 0.00 0.00 1.37 4.02 -1.00 -5.13 117.16 111.56 4ayk n TYR 160 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 4ayk n TYR 160 Cb 0.12 -0.41 0.00 0.00 -0.02 0.00 0.00 39.34 39.03 4ayk n TYR 160 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 4ayk n GLY 161 N 1.59 -0.85 3.86 2.72 0.00 0.81 -5.04 105.19 108.27 4ayk n GLY 161 Ca -0.11 -1.31 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 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 3.84 -0.98 1.61 0.52 -1.26 -4.32 118.95 116.37 4ayk s ARG 162 Ca 0.00 0.29 -0.24 0.00 -0.52 0.00 0.00 55.73 55.27 4ayk s ARG 162 Cb 0.00 -2.97 -0.02 0.00 0.52 0.00 0.00 34.95 32.48 4ayk s ARG 162 CO 0.00 0.53 1.80 -1.12 0.02 0.00 0.00 175.30 176.52 4ayk s SER 163 N -1.75 5.58 -0.56 0.23 0.01 -1.25 -4.91 113.70 111.05 4ayk s SER 163 Ca 0.35 -1.05 -0.20 0.00 1.31 0.00 0.00 55.95 56.35 4ayk s SER 163 Cb -0.14 -2.57 0.07 0.00 0.21 0.00 0.00 66.02 63.59 4ayk s SER 163 CO 0.18 -2.36 0.75 -1.10 0.41 0.00 0.00 173.24 171.12 4ayk s GLN 164 N 6.28 3.13 0.06 12.44 -0.21 -1.26 -5.01 119.66 135.09 4ayk s GLN 164 Ca 0.63 -0.91 -0.16 0.00 0.02 0.00 0.00 55.36 54.93 4ayk s GLN 164 Cb -0.04 -4.16 0.03 0.00 1.00 0.00 0.00 33.01 29.84 4ayk s GLN 164 CO -0.02 -1.46 0.38 -0.80 -2.12 0.00 0.00 175.29 171.28 4ayk s ASN 165 N 3.16 -0.23 -1.32 5.90 0.01 -1.26 -5.06 114.94 116.13 4ayk s ASN 165 Ca 0.17 -0.12 -0.16 0.00 -0.71 0.00 0.00 52.86 52.04 4ayk s ASN 165 Cb -0.19 0.42 0.01 0.00 0.41 0.00 0.00 41.25 41.90 4ayk s ASN 165 CO 0.11 -0.69 2.09 -0.81 -1.51 0.00 0.00 177.10 176.29 4ayk n PRO 166 N 0.36 2.67 -3.03 -0.60 -0.04 -1.26 -4.94 135.00 128.16 4ayk n PRO 166 Ca -0.18 -2.60 -0.40 0.00 -0.04 0.00 0.00 63.50 60.28 4ayk n PRO 166 Cb 0.61 -3.29 -0.05 0.00 -0.04 0.00 0.00 33.50 30.73 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 3.90 4.81 0.50 0.52 1.01 -1.26 -5.04 120.40 124.84 4ayk s VAL 167 Ca 0.50 1.53 -0.21 0.00 0.00 0.00 0.00 61.98 63.80 4ayk s VAL 167 Cb 0.12 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.36 4ayk s VAL 167 CO -0.02 0.36 1.15 -1.10 0.00 0.00 0.00 175.10 175.48 4ayk s GLN 168 N 0.06 3.58 0.00 2.72 -1.52 -1.26 -5.28 119.66 117.95 4ayk s GLN 168 Ca 0.37 1.70 0.00 0.00 -1.95 0.00 0.00 55.36 55.48 4ayk s GLN 168 Cb -0.20 -2.22 0.00 0.00 -0.22 0.00 0.00 33.01 30.37 4ayk s GLN 168 CO 0.21 -0.68 0.38 -0.35 -0.25 0.00 0.00 175.29 174.60