#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4ayk h LEU 2 N 0.00 1.14 -8.35 7.52 5.85 -2.08 -3.44 115.31 115.95 4ayk h LEU 2 Ca 0.00 -0.07 -0.17 0.00 0.84 0.00 0.00 57.88 58.48 4ayk h LEU 2 Cb 0.00 -0.29 -0.15 0.00 0.37 0.00 0.00 40.66 40.59 4ayk h LEU 2 CO 0.00 0.87 -0.69 0.42 -0.34 0.00 0.00 178.44 178.70 4ayk s THR 3 N -5.96 0.47 0.94 1.05 -4.23 -1.26 -5.15 115.64 101.50 4ayk s THR 3 Ca -0.13 -1.88 -0.12 0.00 -1.18 0.00 0.00 61.69 58.38 4ayk s THR 3 Cb 0.17 -1.61 0.15 0.00 1.34 0.00 0.00 72.50 72.56 4ayk s THR 3 CO 0.82 -0.93 1.12 -0.70 -0.54 0.00 0.00 174.62 174.39 4ayk s GLU 4 N -3.88 0.92 0.00 3.99 2.12 -1.26 -4.80 118.70 115.80 4ayk s GLU 4 Ca 0.10 0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.82 4ayk s GLU 4 Cb 0.07 -1.80 0.00 0.00 0.26 0.00 0.00 34.13 32.65 4ayk s GLU 4 CO -0.07 -2.37 0.04 0.41 -0.54 0.00 0.00 175.26 172.73 4ayk n GLY 5 N -1.78 0.11 2.47 -1.50 0.00 -1.26 -3.16 105.19 100.08 4ayk n GLY 5 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 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 0.48 -1.28 -4.69 1.61 4.13 -1.26 -5.14 115.26 109.11 4ayk n ASN 6 Ca 0.00 -3.09 -0.31 0.00 1.68 0.00 0.00 54.58 52.87 4ayk n ASN 6 Cb 0.02 0.64 0.15 0.00 -1.54 0.00 0.00 39.78 39.06 4ayk n ASN 6 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 4ayk s PRO 7 N -0.40 1.19 0.01 3.52 0.02 -1.19 -5.06 135.00 133.09 4ayk s PRO 7 Ca 0.33 1.39 -0.08 0.00 0.02 0.00 0.00 61.00 62.66 4ayk s PRO 7 Cb 0.23 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.99 4ayk s PRO 7 CO -0.16 -2.46 0.16 1.03 -0.33 0.00 0.00 177.00 175.25 4ayk s ARG 8 N -4.71 0.57 -0.09 5.54 0.52 -1.26 -4.84 118.95 114.68 4ayk s ARG 8 Ca 0.65 -0.48 -0.26 0.00 -0.52 0.00 0.00 55.73 55.12 4ayk s ARG 8 Cb -0.21 0.23 -0.02 0.00 0.52 0.00 0.00 34.95 35.47 4ayk s ARG 8 CO 0.58 -0.15 0.83 -1.58 0.02 0.00 0.00 175.30 175.01 4ayk s TRP 9 N -1.81 3.53 -0.95 -0.53 0.52 -1.26 -4.92 118.94 113.52 4ayk s TRP 9 Ca -0.11 1.38 0.28 0.00 0.02 0.00 0.00 56.10 57.67 4ayk s TRP 9 Cb -0.05 -2.98 1.09 0.00 -1.15 0.00 0.00 33.47 30.37 4ayk s TRP 9 CO -0.00 -0.08 1.84 0.39 0.02 0.00 0.00 176.95 179.12 4ayk n GLU 10 N 4.44 0.04 -3.14 4.98 1.02 -1.26 -4.82 120.64 121.91 4ayk n GLU 10 Ca 0.03 0.03 -0.33 0.00 -0.02 0.00 0.00 57.16 56.88 4ayk n GLU 10 Cb 0.50 -1.55 -0.06 0.00 -0.02 0.00 0.00 31.44 30.31 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 -3.02 4.02 0.00 3.49 1.11 -1.26 -4.96 119.66 119.05 4ayk s GLN 11 Ca 0.13 0.69 0.25 0.00 0.01 0.00 0.00 55.36 56.44 4ayk s GLN 11 Cb 0.18 -2.47 0.46 0.00 -1.01 0.00 0.00 33.01 30.17 4ayk s GLN 11 CO 0.56 0.18 1.39 0.25 0.01 0.00 0.00 175.29 177.68 4ayk n THR 12 N -0.27 0.00 -4.60 -0.19 -2.24 -1.26 -4.86 114.28 100.86 4ayk n THR 12 Ca 0.03 -0.21 -0.22 0.00 -2.27 0.00 0.00 64.05 61.38 4ayk n THR 12 Cb 0.53 0.80 -0.15 0.00 -2.10 0.00 0.00 70.33 69.41 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 -2.41 1.31 0.11 4.78 3.76 -1.26 -2.62 115.29 118.96 4ayk s HIS 13 Ca 0.24 -0.28 0.05 0.00 -0.15 0.00 0.00 55.06 54.92 4ayk s HIS 13 Cb 0.19 -0.83 -0.04 0.00 1.11 0.00 0.00 32.58 33.02 4ayk s HIS 13 CO 0.51 -0.00 -0.13 -0.51 -0.85 0.00 0.00 174.74 173.75 4ayk s LEU 14 N -0.56 2.38 0.17 0.89 1.43 -0.36 -4.95 118.68 117.67 4ayk s LEU 14 Ca 0.05 -0.77 0.08 0.00 -1.03 0.00 0.00 54.13 52.46 4ayk s LEU 14 Cb -0.06 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.61 4ayk s LEU 14 CO -0.00 -0.15 -0.18 0.42 0.23 0.00 0.00 176.35 176.67 4ayk s THR 15 N -2.00 1.80 0.07 5.49 -4.23 -1.26 -2.11 115.64 113.40 4ayk s THR 15 Ca 0.06 -1.95 -0.06 0.00 -1.18 0.00 0.00 61.69 58.56 4ayk s THR 15 Cb -0.06 -1.86 -0.01 0.00 1.34 0.00 0.00 72.50 71.91 4ayk s THR 15 CO 0.02 -0.35 0.12 -0.72 -0.54 0.00 0.00 174.62 173.15 4ayk s TYR 16 N -2.16 0.27 -0.14 3.99 -0.85 -1.07 -1.22 117.35 116.18 4ayk s TYR 16 Ca 0.16 -0.74 -0.09 0.00 -0.52 0.00 0.00 57.07 55.88 4ayk s TYR 16 Cb -0.05 -0.17 0.05 0.00 0.38 0.00 0.00 41.96 42.17 4ayk s TYR 16 CO 0.07 -0.49 0.34 0.50 -1.52 0.00 0.00 175.55 174.45 4ayk s ARG 17 N -3.86 0.33 -0.25 -3.49 3.52 -0.97 -2.22 118.95 112.00 4ayk s ARG 17 Ca 0.05 0.61 -0.20 0.00 -0.13 0.00 0.00 55.73 56.06 4ayk s ARG 17 Cb 0.06 0.01 -0.02 0.00 -1.56 0.00 0.00 34.95 33.44 4ayk s ARG 17 CO -0.11 -0.12 0.62 0.42 -0.81 0.00 0.00 175.30 175.30 4ayk s ILE 18 N 0.97 4.99 0.18 4.11 1.01 -1.26 -1.86 121.20 129.35 4ayk s ILE 18 Ca -0.06 1.11 -0.09 0.00 0.00 0.00 0.00 60.65 61.61 4ayk s ILE 18 Cb -0.07 -3.92 0.08 0.00 0.01 0.00 0.00 42.46 38.55 4ayk s ILE 18 CO -0.07 0.03 1.66 -0.08 0.00 0.00 0.00 174.94 176.48 4ayk h GLU 19 N 7.90 1.09 -2.54 2.79 4.81 -1.66 -3.46 114.58 123.51 4ayk h GLU 19 Ca -0.27 -0.33 -0.04 0.00 -0.13 0.00 0.00 59.36 58.59 4ayk h GLU 19 Cb 1.12 -0.11 -0.15 0.00 0.63 0.00 0.00 28.75 30.24 4ayk h GLU 19 CO 0.77 1.04 0.20 0.54 -0.73 0.00 0.00 179.01 180.83 4ayk s ASN 20 N -6.54 -0.61 -0.14 1.04 4.22 -1.26 -5.11 114.94 106.54 4ayk s ASN 20 Ca -0.12 0.33 -0.08 0.00 -2.14 0.00 0.00 52.86 50.85 4ayk s ASN 20 Cb 0.14 0.57 -0.04 0.00 1.28 0.00 0.00 41.25 43.20 4ayk s ASN 20 CO 0.86 -0.80 0.15 -0.31 -2.04 0.00 0.00 177.10 174.95 4ayk s TYR 21 N -2.56 3.55 0.31 1.54 2.02 -1.26 -4.65 117.35 116.30 4ayk s TYR 21 Ca -0.05 0.49 -0.29 0.00 -0.37 0.00 0.00 57.07 56.85 4ayk s TYR 21 Cb -0.01 -2.03 -0.10 0.00 -0.40 0.00 0.00 41.96 39.43 4ayk s TYR 21 CO -0.02 0.59 1.30 -0.08 -1.57 0.00 0.00 175.55 175.77 4ayk s THR 22 N -0.59 2.82 -0.44 -0.71 -1.32 -1.26 -4.88 115.64 109.27 4ayk s THR 22 Ca 0.13 0.80 0.20 0.00 -1.21 0.00 0.00 61.69 61.61 4ayk s THR 22 Cb -0.12 -3.51 0.20 0.00 -1.51 0.00 0.00 72.50 67.56 4ayk s THR 22 CO 0.03 0.18 1.60 -0.81 -2.21 0.00 0.00 174.62 173.41 4ayk n PRO 23 N 1.08 0.14 -0.37 7.08 -0.04 -1.26 -2.73 135.00 138.90 4ayk n PRO 23 Ca 0.01 0.52 -0.02 0.00 -0.04 0.00 0.00 63.50 63.96 4ayk n PRO 23 Cb 0.42 -1.85 0.10 0.00 -0.04 0.00 0.00 33.50 32.13 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 1.13 -4.66 3.54 3.32 -1.95 -3.43 116.42 114.37 4ayk h ASP 24 Ca 0.00 -0.04 -0.31 0.00 0.02 0.00 0.00 57.03 56.70 4ayk h ASP 24 Cb 0.16 -0.28 -0.22 0.00 0.22 0.00 0.00 39.33 39.21 4ayk h ASP 24 CO 0.00 0.83 -0.75 -0.76 -1.72 0.00 0.00 179.24 176.85 4ayk s LEU 25 N -10.09 2.25 0.00 1.55 1.43 -1.11 -5.02 118.68 107.69 4ayk s LEU 25 Ca -0.13 -0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 52.30 4ayk s LEU 25 Cb 0.18 -0.25 0.20 0.00 0.03 0.00 0.00 46.19 46.35 4ayk s LEU 25 CO 0.82 -0.16 0.61 -0.81 0.23 0.00 0.00 176.35 177.04 4ayk n PRO 26 N 1.52 -2.85 0.01 1.29 -0.04 -1.26 -4.51 135.00 129.15 4ayk n PRO 26 Ca -0.22 -0.99 -0.11 0.00 -0.04 0.00 0.00 63.50 62.14 4ayk n PRO 26 Cb 0.55 -1.05 -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 0.08 -0.59 0.54 0.11 -1.97 -3.14 114.38 109.41 4ayk h ARG 27 Ca -0.24 -0.13 0.05 0.00 0.10 0.00 0.00 59.98 59.75 4ayk h ARG 27 Cb 0.77 0.05 -0.05 0.00 1.11 0.00 0.00 29.97 31.85 4ayk h ARG 27 CO 0.15 0.78 0.32 0.00 0.10 0.00 0.00 179.97 181.32 4ayk h ALA 28 N 0.79 0.78 0.01 0.08 0.00 -1.99 0.51 119.26 119.44 4ayk h ALA 28 Ca -0.25 0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.41 4ayk h ALA 28 Cb 1.98 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 19.69 4ayk h ALA 28 CO 0.10 -0.02 -1.06 -0.44 0.00 0.00 0.00 179.25 177.84 4ayk h ASP 29 N 0.60 0.90 -0.02 0.00 3.32 -1.95 -3.08 116.42 116.19 4ayk h ASP 29 Ca 0.26 -0.73 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 4ayk h ASP 29 Cb 0.16 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 4ayk h ASP 29 CO -0.17 1.53 -0.02 0.58 -1.72 0.00 0.00 179.24 179.44 4ayk h VAL 30 N 0.38 1.41 -0.94 -1.35 2.07 -1.42 -2.69 116.25 113.71 4ayk h VAL 30 Ca -0.13 -1.24 0.03 0.00 0.82 0.00 0.00 66.70 66.17 4ayk h VAL 30 Cb 1.71 2.21 -0.05 0.00 -1.52 0.00 0.00 31.29 33.64 4ayk h VAL 30 CO 0.21 0.33 0.62 -2.24 0.02 0.00 0.00 177.57 176.50 4ayk h ASP 31 N -0.46 1.03 -0.68 0.57 2.03 -0.12 -1.24 116.42 117.56 4ayk h ASP 31 Ca 0.00 -0.01 0.01 0.00 -0.73 0.00 0.00 57.03 56.30 4ayk h ASP 31 Cb 0.55 -0.24 -0.03 0.00 -0.83 0.00 0.00 39.33 38.77 4ayk h ASP 31 CO 0.01 0.72 0.45 -0.74 -1.03 0.00 0.00 179.24 178.64 4ayk h HIS 32 N 1.20 0.85 -0.88 4.15 2.76 -1.53 0.60 115.15 122.30 4ayk h HIS 32 Ca 0.37 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.57 4ayk h HIS 32 Cb -0.02 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 28.61 4ayk h HIS 32 CO -0.00 0.53 0.59 0.00 -1.30 0.00 0.00 177.93 177.74 4ayk h ALA 33 N 1.25 1.12 -0.22 5.26 0.00 -0.92 1.28 119.26 127.04 4ayk h ALA 33 Ca 0.25 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 4ayk h ALA 33 Cb -0.09 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.34 4ayk h ALA 33 CO -0.06 0.52 -0.40 0.82 0.00 0.00 0.00 179.25 180.13 4ayk h ILE 34 N 1.19 1.32 -0.34 0.00 1.08 -0.33 -2.45 117.51 117.98 4ayk h ILE 34 Ca 0.32 -1.62 -0.16 0.00 -0.39 0.00 0.00 64.86 63.02 4ayk h ILE 34 Cb -0.13 1.81 -0.01 0.00 -3.07 0.00 0.00 36.82 35.42 4ayk h ILE 34 CO -0.07 0.51 -0.42 -0.08 -0.69 0.00 0.00 178.15 177.40 4ayk h GLU 35 N 0.36 0.86 -0.98 2.37 4.81 0.66 -2.86 114.58 119.79 4ayk h GLU 35 Ca 0.01 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 4ayk h GLU 35 Cb 1.00 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.35 4ayk h GLU 35 CO 0.09 1.11 0.63 -0.22 -0.73 0.00 0.00 179.01 179.89 4ayk h LYS 36 N 0.69 1.30 -0.42 1.92 3.64 0.17 -1.65 116.57 122.22 4ayk h LYS 36 Ca 0.05 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 4ayk h LYS 36 Cb 1.00 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 4ayk h LYS 36 CO 0.10 0.88 0.08 0.00 -2.27 0.00 0.00 179.45 178.23 4ayk h ALA 37 N 1.35 0.55 -0.99 5.00 0.00 -1.31 -2.33 119.26 121.53 4ayk h ALA 37 Ca 0.36 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.06 4ayk h ALA 37 Cb -0.12 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 4ayk h ALA 37 CO -0.07 0.26 0.65 0.74 0.00 0.00 0.00 179.25 180.83 4ayk h PHE 38 N 0.54 1.25 -0.70 0.00 0.04 -1.23 -2.13 116.94 114.72 4ayk h PHE 38 Ca 0.13 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.93 4ayk h PHE 38 Cb 0.36 -0.42 -0.03 0.00 2.20 0.00 0.00 35.95 38.05 4ayk h PHE 38 CO 0.02 0.79 0.47 1.96 -0.60 0.00 0.00 178.31 180.95 4ayk h GLN 39 N 1.35 0.93 -0.61 1.51 4.20 -0.95 0.19 115.11 121.73 4ayk h GLN 39 Ca 0.36 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.02 4ayk h GLN 39 Cb -0.15 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.39 4ayk h GLN 39 CO -0.08 0.62 0.40 -0.07 -0.67 0.00 0.00 178.83 179.03 4ayk h LEU 40 N 0.96 0.70 -0.23 1.46 3.38 -0.87 0.33 115.31 121.04 4ayk h LEU 40 Ca 0.26 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 4ayk h LEU 40 Cb -0.11 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.47 4ayk h LEU 40 CO -0.06 0.51 -0.42 -0.50 0.09 0.00 0.00 178.44 178.07 4ayk h TRP 41 N 0.82 0.86 -0.13 1.13 4.06 -1.06 -3.16 115.95 118.47 4ayk h TRP 41 Ca 0.22 -0.30 -0.09 0.00 2.06 0.00 0.00 58.89 60.77 4ayk h TRP 41 Cb -0.09 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 27.90 4ayk h TRP 41 CO -0.03 1.08 -0.33 1.03 -3.56 0.00 0.00 178.44 176.62 4ayk h SER 42 N 0.40 0.26 -0.54 -3.49 0.87 -0.34 -2.37 113.55 108.34 4ayk h SER 42 Ca 0.01 -0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.50 4ayk h SER 42 Cb 1.01 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.87 4ayk h SER 42 CO 0.09 0.59 0.36 0.78 -0.53 0.00 0.00 176.83 178.12 4ayk h ASN 43 N 0.23 0.56 -0.34 6.23 2.35 -0.30 -2.55 115.58 121.76 4ayk h ASN 43 Ca 0.03 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 4ayk h ASN 43 Cb 0.70 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.94 4ayk h ASN 43 CO 0.05 0.40 0.00 1.33 -1.65 0.00 0.00 177.43 177.56 4ayk n VAL 44 N -4.47 1.66 -3.86 2.81 0.24 -1.12 -4.96 118.33 108.64 4ayk n VAL 44 Ca 0.06 -1.41 -0.11 0.00 -2.04 0.00 0.00 64.34 60.83 4ayk n VAL 44 Cb 0.11 0.13 -0.11 0.00 -1.47 0.00 0.00 33.84 32.50 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 -1.90 0.06 -2.00 3.34 -4.23 -0.91 -4.07 115.64 105.93 4ayk s THR 45 Ca 0.34 -0.51 0.06 0.00 -1.18 0.00 0.00 61.69 60.41 4ayk s THR 45 Cb 0.24 -0.38 0.18 0.00 1.34 0.00 0.00 72.50 73.88 4ayk s THR 45 CO 0.13 -0.28 0.88 -0.81 -0.54 0.00 0.00 174.62 174.00 4ayk n PRO 46 N 1.85 0.54 -1.40 3.99 -0.04 -1.26 -4.60 135.00 134.09 4ayk n PRO 46 Ca -0.20 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.96 4ayk n PRO 46 Cb 0.56 -1.19 0.10 0.00 -0.04 0.00 0.00 33.50 32.94 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 -1.37 2.59 0.03 1.53 1.43 -1.26 -4.94 118.68 116.69 4ayk s LEU 47 Ca 0.10 1.46 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 4ayk s LEU 47 Cb 0.04 -4.05 -0.02 0.00 0.03 0.00 0.00 46.19 42.19 4ayk s LEU 47 CO 0.07 -2.15 -0.04 0.42 0.23 0.00 0.00 176.35 174.88 4ayk s THR 48 N -3.04 0.25 0.07 5.49 -4.23 -1.08 -4.73 115.64 108.37 4ayk s THR 48 Ca 0.61 -1.08 0.05 0.00 -1.18 0.00 0.00 61.69 60.10 4ayk s THR 48 Cb -0.16 -0.52 -0.03 0.00 1.34 0.00 0.00 72.50 73.13 4ayk s THR 48 CO 0.55 -0.53 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.60 4ayk s PHE 49 N -1.76 1.19 -0.22 3.99 0.08 -1.26 -1.23 117.98 118.77 4ayk s PHE 49 Ca -0.11 -0.46 -0.12 0.00 0.12 0.00 0.00 56.93 56.36 4ayk s PHE 49 Cb -0.08 -0.67 0.07 0.00 -0.57 0.00 0.00 43.02 41.77 4ayk s PHE 49 CO -0.02 0.05 0.53 0.99 -0.10 0.00 0.00 175.22 176.67 4ayk s THR 50 N -1.28 -0.03 0.30 0.64 2.01 -0.90 -4.96 115.64 111.42 4ayk s THR 50 Ca -0.02 0.06 -0.28 0.00 0.31 0.00 0.00 61.69 61.75 4ayk s THR 50 Cb -0.10 -0.77 -0.09 0.00 0.01 0.00 0.00 72.50 71.54 4ayk s THR 50 CO 0.02 0.02 1.00 -0.75 -0.69 0.00 0.00 174.62 174.22 4ayk s LYS 51 N 1.52 4.63 -0.05 4.92 2.20 -1.26 -2.60 119.74 129.10 4ayk s LYS 51 Ca -0.10 1.52 0.05 0.00 -0.36 0.00 0.00 55.97 57.09 4ayk s LYS 51 Cb -0.07 -3.02 -0.01 0.00 -1.51 0.00 0.00 37.83 33.23 4ayk s LYS 51 CO -0.16 0.28 -0.20 0.14 -0.36 0.00 0.00 175.35 175.05 4ayk s VAL 52 N -1.37 1.70 -1.93 4.02 -7.23 -0.94 -4.91 120.40 109.74 4ayk s VAL 52 Ca 0.47 -0.86 0.24 0.00 -1.81 0.00 0.00 61.98 60.01 4ayk s VAL 52 Cb -0.25 -1.45 0.07 0.00 0.56 0.00 0.00 36.38 35.31 4ayk s VAL 52 CO 0.31 0.48 1.22 -0.24 -0.31 0.00 0.00 175.10 176.57 4ayk n SER 53 N 3.11 1.71 -3.92 4.85 2.88 -1.26 -4.66 113.62 116.32 4ayk n SER 53 Ca -0.18 -1.32 -0.10 0.00 -1.33 0.00 0.00 58.87 55.94 4ayk n SER 53 Cb 0.53 0.39 -0.10 0.00 -0.75 0.00 0.00 64.21 64.28 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 -2.50 0.44 0.00 -1.46 2.02 -1.26 -5.11 118.70 110.83 4ayk s GLU 54 Ca 0.20 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.63 4ayk s GLU 54 Cb 0.18 0.17 0.00 0.00 0.10 0.00 0.00 34.13 34.59 4ayk s GLU 54 CO 0.57 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 176.16 4ayk n GLY 55 N 1.35 -1.70 3.80 -1.39 0.00 -1.26 -4.89 105.19 101.10 4ayk n GLY 55 Ca -0.22 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.05 4.40 0.21 1.61 -0.21 -1.26 -5.06 119.66 117.31 4ayk s GLN 56 Ca 0.00 1.17 0.07 0.00 0.02 0.00 0.00 55.36 56.62 4ayk s GLN 56 Cb 0.00 -2.60 -0.04 0.00 1.00 0.00 0.00 33.01 31.37 4ayk s GLN 56 CO 0.00 0.19 0.08 0.00 -2.12 0.00 0.00 175.29 173.44 4ayk s ALA 57 N -1.80 3.38 0.25 6.09 0.00 -1.26 -5.02 121.76 123.40 4ayk s ALA 57 Ca 0.53 -1.40 -0.06 0.00 0.00 0.00 0.00 51.96 51.03 4ayk s ALA 57 Cb -0.15 -1.12 0.26 0.00 0.00 0.00 0.00 23.12 22.12 4ayk s ALA 57 CO 0.20 0.39 1.93 -0.44 0.00 0.00 0.00 175.76 177.83 4ayk h ASP 58 N 2.17 1.16 -3.22 0.00 3.32 -1.64 -3.39 116.42 114.82 4ayk h ASP 58 Ca -0.47 -0.03 -0.67 0.00 0.02 0.00 0.00 57.03 55.88 4ayk h ASP 58 Cb 1.22 -0.29 -0.35 0.00 0.22 0.00 0.00 39.33 40.13 4ayk h ASP 58 CO 0.60 0.84 -0.85 -0.63 -1.72 0.00 0.00 179.24 177.48 4ayk s ILE 59 N -6.12 2.09 -0.20 0.35 1.01 -0.36 -4.78 121.20 113.19 4ayk s ILE 59 Ca -0.13 -1.07 -0.12 0.00 0.00 0.00 0.00 60.65 59.33 4ayk s ILE 59 Cb 0.18 -1.95 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 4ayk s ILE 59 CO 0.82 0.43 0.20 -0.04 0.00 0.00 0.00 174.94 176.35 4ayk s MET 60 N 1.26 4.17 -0.15 2.79 -1.94 -1.25 -2.30 119.30 121.87 4ayk s MET 60 Ca 0.02 -0.12 -0.03 0.00 -1.71 0.00 0.00 55.69 53.86 4ayk s MET 60 Cb -0.14 -3.47 -0.02 0.00 2.01 0.00 0.00 34.83 33.21 4ayk s MET 60 CO -0.11 0.18 -0.07 0.42 -0.01 0.00 0.00 175.02 175.43 4ayk s ILE 61 N 0.68 3.62 0.04 2.53 1.01 -0.78 0.40 121.20 128.71 4ayk s ILE 61 Ca 0.11 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 60.19 4ayk s ILE 61 Cb -0.13 -2.57 0.01 0.00 0.01 0.00 0.00 42.46 39.79 4ayk s ILE 61 CO 0.02 0.50 0.25 -0.94 0.00 0.00 0.00 174.94 174.78 4ayk s SER 62 N 0.36 -0.04 -0.10 3.58 1.04 -1.09 -1.48 113.70 115.96 4ayk s SER 62 Ca -0.06 -0.29 -0.04 0.00 0.48 0.00 0.00 55.95 56.04 4ayk s SER 62 Cb -0.15 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.26 4ayk s SER 62 CO 0.04 -0.60 0.05 -0.36 0.98 0.00 0.00 173.24 173.35 4ayk s PHE 63 N -2.62 3.29 0.16 5.02 0.08 -1.26 -2.63 117.98 120.02 4ayk s PHE 63 Ca -0.05 0.28 0.05 0.00 0.12 0.00 0.00 56.93 57.33 4ayk s PHE 63 Cb -0.01 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.54 4ayk s PHE 63 CO -0.04 0.52 -0.11 0.14 -0.10 0.00 0.00 175.22 175.63 4ayk s VAL 64 N -0.82 1.28 0.01 -0.44 -7.23 -1.12 -4.95 120.40 107.13 4ayk s VAL 64 Ca 0.13 -2.09 0.05 0.00 -1.81 0.00 0.00 61.98 58.25 4ayk s VAL 64 Cb -0.12 -1.89 -0.02 0.00 0.56 0.00 0.00 36.38 34.91 4ayk s VAL 64 CO 0.03 -0.71 -0.14 -0.13 -0.31 0.00 0.00 175.10 173.83 4ayk s ARG 65 N -3.73 1.07 1.68 4.82 0.52 -1.26 -2.10 118.95 119.95 4ayk s ARG 65 Ca 0.18 -0.62 0.00 0.00 -0.52 0.00 0.00 55.73 54.77 4ayk s ARG 65 Cb 0.02 -1.06 0.00 0.00 0.52 0.00 0.00 34.95 34.43 4ayk s ARG 65 CO 0.02 0.28 0.00 0.41 0.02 0.00 0.00 175.30 176.03 4ayk n GLY 66 N 2.37 1.65 3.70 -3.53 0.00 -1.26 -4.25 105.19 103.87 4ayk n GLY 66 Ca -0.16 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 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 7.26 -0.48 1.61 -1.08 -1.26 -4.06 116.67 114.65 4ayk s ASP 67 Ca 0.00 1.69 0.08 0.00 -0.52 0.00 0.00 52.55 53.80 4ayk s ASP 67 Cb 0.00 -2.57 0.37 0.00 -1.46 0.00 0.00 42.92 39.26 4ayk s ASP 67 CO 0.00 -0.38 0.94 0.00 0.52 0.00 0.00 175.17 176.25 4ayk n HIS 68 N 4.38 2.85 -3.63 -5.34 1.44 -1.26 -4.91 115.22 108.74 4ayk n HIS 68 Ca 0.08 -3.66 -0.21 0.00 -2.01 0.00 0.00 57.72 51.92 4ayk n HIS 68 Cb 0.49 -0.38 0.05 0.00 0.12 0.00 0.00 29.99 30.28 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 -0.17 -5.84 -4.14 -1.40 5.12 -1.26 -5.00 116.66 103.96 4ayk n ARG 69 Ca 0.29 0.71 -0.09 0.00 -1.93 0.00 0.00 57.85 56.83 4ayk n ARG 69 Cb 0.55 -5.51 -0.10 0.00 -1.16 0.00 0.00 32.46 26.24 4ayk n ARG 69 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 4ayk s ASP 70 N -4.13 0.58 0.00 0.55 1.01 -1.26 -5.03 116.67 108.38 4ayk s ASP 70 Ca 0.14 -1.11 0.14 0.00 0.71 0.00 0.00 52.55 52.42 4ayk s ASP 70 Cb -0.07 0.22 0.42 0.00 1.01 0.00 0.00 42.92 44.50 4ayk s ASP 70 CO 0.78 -0.64 1.33 0.59 0.21 0.00 0.00 175.17 177.45 4ayk n ASN 71 N -0.04 1.93 -3.32 0.27 5.03 -1.26 -4.43 115.26 113.44 4ayk n ASN 71 Ca -0.09 -1.94 -0.25 0.00 0.87 0.00 0.00 54.58 53.17 4ayk n ASN 71 Cb 0.62 -0.22 -0.08 0.00 -1.02 0.00 0.00 39.78 39.08 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 0.54 0.66 -4.77 6.41 7.64 -1.26 -5.12 113.62 117.71 4ayk n SER 72 Ca 0.13 -2.74 -0.33 0.00 1.01 0.00 0.00 58.87 56.95 4ayk n SER 72 Cb 0.32 -0.63 0.05 0.00 -1.01 0.00 0.00 64.21 62.94 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 -1.04 2.74 0.45 1.43 0.04 -1.26 -5.00 135.00 132.36 4ayk s PRO 73 Ca 0.34 1.34 -0.20 0.00 0.04 0.00 0.00 61.00 62.52 4ayk s PRO 73 Cb 0.12 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.61 4ayk s PRO 73 CO -0.13 -1.29 0.97 -0.06 0.04 0.00 0.00 177.00 176.54 4ayk s PHE 74 N -2.44 3.25 -0.65 0.56 0.08 -1.26 -5.01 117.98 112.51 4ayk s PHE 74 Ca 0.66 1.59 0.06 0.00 0.12 0.00 0.00 56.93 59.36 4ayk s PHE 74 Cb -0.20 -2.89 0.21 0.00 -0.57 0.00 0.00 43.02 39.57 4ayk s PHE 74 CO 0.44 -0.29 0.61 -3.47 -0.10 0.00 0.00 175.22 172.41 4ayk n ASP 75 N -0.79 3.07 -1.00 1.36 -0.08 -1.26 -4.84 116.55 113.01 4ayk n ASP 75 Ca 0.07 -3.26 0.02 0.00 -1.51 0.00 0.00 54.79 50.12 4ayk n ASP 75 Cb 0.54 -0.70 -0.01 0.00 2.34 0.00 0.00 41.12 43.29 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 1.46 -1.11 0.00 0.27 0.00 -1.26 -2.78 105.19 101.78 4ayk n GLY 76 Ca 0.25 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.17 0.00 -1.88 1.61 -0.02 -1.26 -4.58 135.00 126.71 4ayk n PRO 77 Ca 0.00 0.29 -0.19 0.00 -2.02 0.00 0.00 63.50 61.59 4ayk n PRO 77 Cb 0.08 -1.66 0.11 0.00 -0.02 0.00 0.00 33.50 32.01 4ayk n PRO 77 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 4ayk n GLY 78 N -1.27 0.04 6.17 -1.23 0.00 -1.12 -4.96 105.19 102.82 4ayk n GLY 78 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.96 -1.96 3.79 -0.02 0.00 -1.26 -4.23 105.19 100.56 4ayk n GLY 79 Ca 0.12 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 4ayk n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4ayk s ASN 80 N -3.86 6.06 0.05 1.61 4.22 -1.26 -4.95 114.94 116.82 4ayk s ASN 80 Ca 0.00 1.94 0.24 0.00 -2.14 0.00 0.00 52.86 52.90 4ayk s ASN 80 Cb 0.00 -2.56 0.31 0.00 1.28 0.00 0.00 41.25 40.29 4ayk s ASN 80 CO 0.00 -0.97 1.27 0.18 -2.04 0.00 0.00 177.10 175.53 4ayk n LEU 81 N -1.34 0.61 -3.59 3.54 4.77 -1.26 -4.93 117.00 114.79 4ayk n LEU 81 Ca 0.10 0.04 -0.06 0.00 -0.03 0.00 0.00 56.01 56.05 4ayk n LEU 81 Cb 0.52 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 4ayk n LEU 81 CO 0.42 0.06 0.75 0.00 -1.33 0.00 0.00 177.39 177.29 4ayk s ALA 82 N -3.10 -1.83 0.37 -1.18 0.00 -1.26 -2.20 121.76 112.57 4ayk s ALA 82 Ca 0.08 0.81 -0.15 0.00 0.00 0.00 0.00 51.96 52.70 4ayk s ALA 82 Cb 0.15 0.42 0.06 0.00 0.00 0.00 0.00 23.12 23.75 4ayk s ALA 82 CO 0.74 -0.80 0.78 -2.39 0.00 0.00 0.00 175.76 174.09 4ayk n HIS 83 N -0.31 -2.28 -3.76 0.00 1.44 -0.93 -5.00 115.22 104.38 4ayk n HIS 83 Ca -0.07 -1.78 -0.05 0.00 -2.01 0.00 0.00 57.72 53.81 4ayk n HIS 83 Cb 0.61 0.89 -0.02 0.00 0.12 0.00 0.00 29.99 31.59 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 -2.04 -1.52 0.22 1.59 0.00 -1.26 -1.08 121.76 117.66 4ayk s ALA 84 Ca 0.16 0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.18 4ayk s ALA 84 Cb -0.05 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 4ayk s ALA 84 CO 0.11 -1.01 0.38 -0.06 0.00 0.00 0.00 175.76 175.18 4ayk s PHE 85 N -3.50 3.48 0.64 0.00 0.08 -1.02 -5.00 117.98 112.66 4ayk s PHE 85 Ca 0.11 0.20 -0.18 0.00 0.12 0.00 0.00 56.93 57.18 4ayk s PHE 85 Cb -0.03 -1.75 -0.02 0.00 -0.57 0.00 0.00 43.02 40.66 4ayk s PHE 85 CO 0.03 0.39 1.24 1.04 -0.10 0.00 0.00 175.22 177.81 4ayk n GLN 86 N -0.96 1.06 -1.64 0.44 1.13 -1.26 -2.82 117.38 113.33 4ayk n GLN 86 Ca -0.06 0.42 -0.37 0.00 -1.94 0.00 0.00 57.00 55.04 4ayk n GLN 86 Cb 0.55 -2.47 -0.03 0.00 0.11 0.00 0.00 30.24 28.40 4ayk n GLN 86 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 4ayk s PRO 87 N -3.28 2.30 0.35 -1.09 0.04 -1.26 -0.66 135.00 131.40 4ayk s PRO 87 Ca 0.82 1.37 -0.16 0.00 0.04 0.00 0.00 61.00 63.08 4ayk s PRO 87 Cb -0.38 -4.53 0.04 0.00 0.04 0.00 0.00 34.50 29.66 4ayk s PRO 87 CO 0.41 -3.05 0.72 0.20 0.04 0.00 0.00 177.00 175.32 4ayk s GLY 88 N 11.11 0.36 1.28 0.56 0.00 -1.25 -4.81 107.32 114.57 4ayk s GLY 88 Ca 0.94 -0.71 -0.21 0.00 0.00 0.00 0.00 44.72 44.73 4ayk s GLY 88 CO 0.26 -0.33 1.09 2.56 0.00 0.00 0.00 173.10 176.68 4ayk s PRO 89 N -2.91 -1.84 7.54 2.90 0.04 -1.26 -3.37 135.00 136.10 4ayk s PRO 89 Ca 0.16 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.02 4ayk s PRO 89 Cb -0.05 -1.53 0.00 0.00 0.04 0.00 0.00 34.50 32.96 4ayk s PRO 89 CO 0.11 -4.10 0.00 0.41 0.04 0.00 0.00 177.00 173.46 4ayk n GLY 90 N -0.61 3.01 0.00 0.56 0.00 -1.26 -1.19 105.19 105.71 4ayk n GLY 90 Ca 0.15 -0.22 0.14 0.00 0.00 0.00 0.00 46.02 46.09 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 0.09 -1.73 -0.61 3.06 -1.26 -4.82 119.36 114.09 4ayk n ILE 91 Ca 0.00 0.02 -0.42 0.00 -2.50 0.00 0.00 62.75 59.85 4ayk n ILE 91 Cb 0.00 -0.55 -0.01 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 1.23 1.05 2.28 4.50 0.00 -0.33 -1.24 105.19 112.68 4ayk n GLY 92 Ca 0.10 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 1.42 2.63 3.69 -0.02 0.00 0.17 -3.88 105.19 109.19 4ayk n GLY 93 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 6.73 0.22 1.61 1.11 -0.37 -3.93 116.67 120.04 4ayk s ASP 94 Ca 0.00 2.28 -0.09 0.00 0.18 0.00 0.00 52.55 54.91 4ayk s ASP 94 Cb 0.00 -2.56 -0.07 0.00 1.07 0.00 0.00 42.92 41.36 4ayk s ASP 94 CO 0.00 -0.81 0.54 0.00 1.18 0.00 0.00 175.17 176.08 4ayk s ALA 95 N 2.65 3.58 -0.04 5.23 0.00 0.16 -2.44 121.76 130.91 4ayk s ALA 95 Ca 0.69 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.38 4ayk s ALA 95 Cb -0.35 -2.42 0.01 0.00 0.00 0.00 0.00 23.12 20.37 4ayk s ALA 95 CO 0.29 0.52 -0.07 -1.01 0.00 0.00 0.00 175.76 175.49 4ayk s HIS 96 N -1.80 0.90 -0.07 0.00 3.76 -0.24 -2.69 115.29 115.16 4ayk s HIS 96 Ca 0.47 -0.26 0.05 0.00 -0.15 0.00 0.00 55.06 55.17 4ayk s HIS 96 Cb -0.11 -0.70 -0.01 0.00 1.11 0.00 0.00 32.58 32.86 4ayk s HIS 96 CO 0.21 -0.16 -0.21 -0.06 -0.85 0.00 0.00 174.74 173.68 4ayk s PHE 97 N 0.56 2.56 -0.03 1.40 0.40 -1.08 -2.18 117.98 119.61 4ayk s PHE 97 Ca -0.09 -0.59 -0.30 0.00 -0.60 0.00 0.00 56.93 55.35 4ayk s PHE 97 Cb -0.12 -1.65 -0.06 0.00 0.51 0.00 0.00 43.02 41.71 4ayk s PHE 97 CO 0.01 -0.13 1.59 0.34 0.70 0.00 0.00 175.22 177.73 4ayk s ASP 98 N -0.20 6.70 0.00 1.36 -1.08 -0.93 -2.80 116.67 119.73 4ayk s ASP 98 Ca -0.02 2.23 0.24 0.00 -0.52 0.00 0.00 52.55 54.49 4ayk s ASP 98 Cb -0.13 -2.54 0.28 0.00 -1.46 0.00 0.00 42.92 39.06 4ayk s ASP 98 CO 0.03 -0.87 1.31 1.21 0.52 0.00 0.00 175.17 177.37 4ayk n GLU 99 N 6.52 2.26 0.20 4.34 2.13 -0.89 -4.16 120.64 131.04 4ayk n GLU 99 Ca 0.16 -1.83 0.14 0.00 0.66 0.00 0.00 57.16 56.29 4ayk n GLU 99 Cb 0.43 -1.46 0.46 0.00 0.27 0.00 0.00 31.44 31.14 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 4.47 0.00 -2.37 4.31 3.32 -1.89 -3.44 116.42 120.82 4ayk h ASP 100 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 4ayk h ASP 100 Cb 0.95 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.47 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 -3.38 3.27 -0.27 3.56 2.02 -1.26 -5.00 118.70 117.64 4ayk s GLU 101 Ca 0.05 -0.78 -0.25 0.00 0.02 0.00 0.00 54.97 54.01 4ayk s GLU 101 Cb 0.09 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.50 4ayk s GLU 101 CO 0.55 0.46 0.87 0.50 0.02 0.00 0.00 175.26 177.66 4ayk s ARG 102 N -3.62 4.11 0.23 1.61 3.52 -1.26 -5.03 118.95 118.51 4ayk s ARG 102 Ca 0.34 0.89 -0.15 0.00 -0.13 0.00 0.00 55.73 56.68 4ayk s ARG 102 Cb -0.10 -3.68 -0.08 0.00 -1.56 0.00 0.00 34.95 29.54 4ayk s ARG 102 CO 0.27 -0.62 0.64 -1.58 -0.81 0.00 0.00 175.30 173.20 4ayk s TRP 103 N 3.01 3.52 0.14 5.12 0.52 -1.26 -4.63 118.94 125.36 4ayk s TRP 103 Ca 0.36 1.13 0.06 0.00 0.02 0.00 0.00 56.10 57.67 4ayk s TRP 103 Cb -0.15 -2.44 -0.04 0.00 -1.15 0.00 0.00 33.47 29.69 4ayk s TRP 103 CO 0.10 0.29 -0.13 0.95 0.02 0.00 0.00 176.95 178.18 4ayk s THR 104 N -1.68 1.36 -0.34 2.01 -4.23 -0.99 -4.81 115.64 106.94 4ayk s THR 104 Ca 0.45 -1.91 0.07 0.00 -1.18 0.00 0.00 61.69 59.12 4ayk s THR 104 Cb -0.13 -1.72 0.52 0.00 1.34 0.00 0.00 72.50 72.51 4ayk s THR 104 CO 0.20 -0.55 1.55 0.59 -0.54 0.00 0.00 174.62 175.87 4ayk n ASN 105 N 0.15 3.18 -0.42 3.99 5.03 -1.26 -1.83 115.26 124.10 4ayk n ASN 105 Ca -0.13 -3.77 0.00 0.00 0.87 0.00 0.00 54.58 51.55 4ayk n ASN 105 Cb 0.59 -0.67 0.00 0.00 -1.02 0.00 0.00 39.78 38.68 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 -1.09 0.00 -1.15 6.41 0.23 -1.26 -5.01 115.26 113.40 4ayk n ASN 106 Ca 0.40 -0.42 -0.02 0.00 -0.53 0.00 0.00 54.58 54.01 4ayk n ASN 106 Cb 1.10 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.81 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 0.27 -0.36 -2.53 3.72 -1.26 -4.63 117.46 112.68 4ayk n PHE 107 Ca 0.00 -0.67 0.00 0.00 -0.05 0.00 0.00 57.45 56.73 4ayk n PHE 107 Cb 0.00 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.20 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 0.43 0.40 0.34 -1.08 5.12 -1.26 -4.96 116.66 115.66 4ayk n ARG 108 Ca 0.05 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.80 4ayk n ARG 108 Cb 0.60 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.81 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 -0.85 -4.91 5.56 5.08 -1.95 -3.40 114.58 114.10 4ayk h GLU 109 Ca 0.00 0.06 -0.65 0.00 -1.00 0.00 0.00 59.36 57.77 4ayk h GLU 109 Cb 0.00 0.19 -0.22 0.00 0.50 0.00 0.00 28.75 29.23 4ayk h GLU 109 CO 0.00 -0.57 -0.59 0.71 -1.00 0.00 0.00 179.01 177.56 4ayk s TYR 110 N -6.04 3.13 -0.39 4.33 2.02 -1.26 -5.06 117.35 114.09 4ayk s TYR 110 Ca -0.18 -0.35 -0.17 0.00 -0.37 0.00 0.00 57.07 56.00 4ayk s TYR 110 Cb 0.04 -2.29 0.01 0.00 -0.40 0.00 0.00 41.96 39.32 4ayk s TYR 110 CO 0.62 -0.34 0.43 -0.80 -1.57 0.00 0.00 175.55 173.89 4ayk s ASN 111 N 1.64 6.21 0.16 2.29 0.01 -1.26 -2.36 114.94 121.63 4ayk s ASN 111 Ca 0.06 -0.45 -0.12 0.00 -0.71 0.00 0.00 52.86 51.64 4ayk s ASN 111 Cb -0.16 -2.22 0.05 0.00 0.41 0.00 0.00 41.25 39.33 4ayk s ASN 111 CO 0.05 -0.50 1.66 0.25 -1.51 0.00 0.00 177.10 177.05 4ayk h LEU 112 N 8.99 0.84 -1.01 0.60 5.85 -1.69 -2.85 115.31 126.05 4ayk h LEU 112 Ca -0.28 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.21 4ayk h LEU 112 Cb 1.12 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 4ayk h LEU 112 CO 0.76 0.87 0.66 -0.74 -0.34 0.00 0.00 178.44 179.66 4ayk h HIS 113 N 0.78 1.27 -0.51 1.25 2.76 -1.90 -0.64 115.15 118.16 4ayk h HIS 113 Ca 0.17 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.39 4ayk h HIS 113 Cb 0.36 -0.43 -0.03 0.00 1.55 0.00 0.00 27.41 28.86 4ayk h HIS 113 CO 0.03 0.80 0.31 -0.09 -1.30 0.00 0.00 177.93 177.68 4ayk h ARG 114 N 1.37 0.60 -0.35 5.26 9.65 -1.91 -1.53 114.38 127.47 4ayk h ARG 114 Ca 0.37 -0.04 -0.16 0.00 -1.10 0.00 0.00 59.98 59.05 4ayk h ARG 114 Cb -0.15 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.28 4ayk h ARG 114 CO -0.08 0.40 -0.42 0.28 2.80 0.00 0.00 179.97 182.95 4ayk h VAL 115 N 0.62 1.28 -0.71 0.20 2.07 -1.30 -2.91 116.25 115.50 4ayk h VAL 115 Ca 0.20 -1.60 0.04 0.00 0.82 0.00 0.00 66.70 66.17 4ayk h VAL 115 Cb -0.00 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 4ayk h VAL 115 CO -0.08 0.53 0.43 0.00 0.02 0.00 0.00 177.57 178.46 4ayk h ALA 116 N 0.80 0.94 -0.80 1.67 0.00 -0.66 0.23 119.26 121.44 4ayk h ALA 116 Ca 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 4ayk h ALA 116 Cb 1.01 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 4ayk h ALA 116 CO 0.10 0.16 0.33 0.00 0.00 0.00 0.00 179.25 179.84 4ayk h ALA 117 N 1.33 1.04 -0.07 0.00 0.00 -1.22 -0.79 119.26 119.55 4ayk h ALA 117 Ca 0.30 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 4ayk h ALA 117 Cb 0.10 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 4ayk h ALA 117 CO -0.14 0.66 -0.07 1.25 0.00 0.00 0.00 179.25 180.94 4ayk h HIS 118 N 1.16 0.20 -0.99 0.00 6.17 -1.13 -1.79 115.15 118.77 4ayk h HIS 118 Ca 0.27 -0.06 0.02 0.00 0.71 0.00 0.00 60.37 61.31 4ayk h HIS 118 Cb 0.20 -0.04 -0.05 0.00 2.52 0.00 0.00 27.41 30.04 4ayk h HIS 118 CO 0.02 0.62 0.65 0.93 0.71 0.00 0.00 177.93 180.86 4ayk h GLU 119 N -0.28 1.27 -0.12 5.26 4.39 -0.46 0.11 114.58 124.75 4ayk h GLU 119 Ca 0.01 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 4ayk h GLU 119 Cb 0.59 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 4ayk h GLU 119 CO 0.02 0.84 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.48 4ayk h LEU 120 N 1.30 0.18 -1.05 1.33 3.38 -1.10 -1.71 115.31 117.65 4ayk h LEU 120 Ca 0.38 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.32 4ayk h LEU 120 Cb -0.09 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 4ayk h LEU 120 CO -0.10 0.36 0.65 1.23 0.09 0.00 0.00 178.44 180.66 4ayk h GLY 121 N 0.74 1.37 1.59 0.83 0.00 0.13 -0.74 103.07 107.00 4ayk h GLY 121 Ca 0.04 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 4ayk h GLY 121 CO 0.02 0.50 -0.20 0.45 0.00 0.00 0.00 176.54 177.31 4ayk h HIS 122 N 1.32 0.53 0.00 5.60 3.86 -0.85 -0.98 115.15 124.62 4ayk h HIS 122 Ca 0.36 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.44 4ayk h HIS 122 Cb -0.15 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.18 4ayk h HIS 122 CO -0.00 0.65 -0.16 0.66 0.86 0.00 0.00 177.93 179.95 4ayk h SER 123 N 0.44 0.00 0.29 2.45 4.64 -0.83 -1.81 113.55 118.73 4ayk h SER 123 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 4ayk h SER 123 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 4ayk h SER 123 CO 0.04 0.16 -0.20 0.18 -0.87 0.00 0.00 176.83 176.14 4ayk n LEU 124 N -3.37 0.80 0.00 5.97 4.77 -0.64 -4.79 117.00 119.73 4ayk n LEU 124 Ca -0.00 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 4ayk n LEU 124 Cb 0.36 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 4ayk n LEU 124 CO 0.31 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 4ayk n GLY 125 N 1.32 0.65 3.72 -0.72 0.00 -0.68 -4.99 105.19 104.49 4ayk n GLY 125 Ca 0.13 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 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 4.38 0.68 0.99 1.43 -0.45 -5.01 118.68 120.70 4ayk s LEU 126 Ca 0.00 1.52 -0.04 0.00 -1.03 0.00 0.00 54.13 54.58 4ayk s LEU 126 Cb 0.00 -3.40 0.07 0.00 0.03 0.00 0.00 46.19 42.89 4ayk s LEU 126 CO 0.00 -0.16 0.96 -0.44 0.23 0.00 0.00 176.35 176.93 4ayk s SER 127 N 0.70 4.79 0.77 2.29 0.01 -1.26 -4.36 113.70 116.64 4ayk s SER 127 Ca 0.46 0.19 -0.11 0.00 1.31 0.00 0.00 55.95 57.79 4ayk s SER 127 Cb -0.20 -0.83 0.06 0.00 0.21 0.00 0.00 66.02 65.25 4ayk s SER 127 CO 0.25 -1.56 1.10 -1.00 0.41 0.00 0.00 173.24 172.44 4ayk s HIS 128 N -3.12 2.47 0.19 2.43 0.09 -1.26 -4.99 115.29 111.09 4ayk s HIS 128 Ca 0.61 1.58 0.09 0.00 -0.00 0.00 0.00 55.06 57.34 4ayk s HIS 128 Cb -0.09 -3.11 -0.04 0.00 -0.00 0.00 0.00 32.58 29.33 4ayk s HIS 128 CO 0.43 -1.91 -0.17 0.45 -0.00 0.00 0.00 174.74 173.54 4ayk s SER 129 N -3.17 2.73 0.00 1.40 0.15 -1.22 -5.03 113.70 108.57 4ayk s SER 129 Ca 0.63 -0.94 0.24 0.00 0.70 0.00 0.00 55.95 56.58 4ayk s SER 129 Cb -0.18 -0.16 0.37 0.00 -1.71 0.00 0.00 66.02 64.33 4ayk s SER 129 CO 0.54 -0.08 1.37 0.35 1.20 0.00 0.00 173.24 176.63 4ayk n THR 130 N -0.04 0.38 -2.77 6.45 -2.24 -1.26 -4.55 114.28 110.26 4ayk n THR 130 Ca -0.10 -0.69 -0.42 0.00 -2.27 0.00 0.00 64.05 60.57 4ayk n THR 130 Cb 0.59 1.11 -0.03 0.00 -2.10 0.00 0.00 70.33 69.89 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 -1.62 7.21 0.25 3.42 -1.08 -1.26 -4.93 116.67 118.65 4ayk s ASP 131 Ca 0.36 1.47 -0.06 0.00 -0.52 0.00 0.00 52.55 53.81 4ayk s ASP 131 Cb 0.22 -2.53 0.26 0.00 -1.46 0.00 0.00 42.92 39.42 4ayk s ASP 131 CO 0.31 -0.35 1.93 0.40 0.52 0.00 0.00 175.17 177.98 4ayk h ILE 132 N 4.99 1.26 0.00 4.11 2.04 -2.00 -1.16 117.51 126.76 4ayk h ILE 132 Ca -0.35 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.05 4ayk h ILE 132 Cb 1.17 -0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 4ayk h ILE 132 CO 0.81 0.25 0.00 0.61 0.00 0.00 0.00 178.15 179.82 4ayk n GLY 133 N -1.38 -0.67 3.77 5.37 0.00 -1.26 -4.75 105.19 106.27 4ayk n GLY 133 Ca 0.12 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.11 3.38 0.30 4.61 0.00 -0.44 -4.55 121.76 122.95 4ayk s ALA 134 Ca 0.27 0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.71 4ayk s ALA 134 Cb 0.13 -3.05 0.47 0.00 0.00 0.00 0.00 23.12 20.67 4ayk s ALA 134 CO 0.24 0.26 1.76 -0.07 0.00 0.00 0.00 175.76 177.95 4ayk h LEU 135 N 4.04 0.47 -5.74 0.00 3.38 -1.87 -3.31 115.31 112.29 4ayk h LEU 135 Ca -0.46 -0.14 -0.59 0.00 0.09 0.00 0.00 57.88 56.77 4ayk h LEU 135 Cb 1.20 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.84 4ayk h LEU 135 CO 0.66 0.68 2.94 0.23 0.09 0.00 0.00 178.44 183.05 4ayk n MET 136 N -4.16 2.49 -2.38 1.13 2.81 -1.26 -4.89 117.12 110.85 4ayk n MET 136 Ca 0.00 -2.00 -0.41 0.00 -1.81 0.00 0.00 57.70 53.48 4ayk n MET 136 Cb 0.37 -2.85 -0.04 0.00 -0.71 0.00 0.00 33.22 29.99 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 3.48 3.44 -2.00 2.03 5.04 -1.25 -3.41 117.35 124.68 4ayk s TYR 137 Ca 0.53 1.53 0.01 0.00 -2.44 0.00 0.00 57.07 56.70 4ayk s TYR 137 Cb 0.14 -3.41 0.08 0.00 0.35 0.00 0.00 41.96 39.12 4ayk s TYR 137 CO -0.01 -1.04 0.32 -0.35 -1.34 0.00 0.00 175.55 173.13 4ayk n PRO 138 N 1.80 0.14 -3.85 4.97 -0.04 -1.26 -4.68 135.00 132.08 4ayk n PRO 138 Ca 0.02 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.39 4ayk n PRO 138 Cb 0.44 -1.15 -0.00 0.00 -0.04 0.00 0.00 33.50 32.76 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 -1.90 -0.07 -0.23 3.54 1.04 -1.26 -5.13 113.70 109.70 4ayk s SER 139 Ca 0.02 -0.93 -0.22 0.00 0.48 0.00 0.00 55.95 55.30 4ayk s SER 139 Cb 0.01 0.78 -0.02 0.00 0.10 0.00 0.00 66.02 66.89 4ayk s SER 139 CO 0.02 -1.50 0.72 -0.47 0.98 0.00 0.00 173.24 172.98 4ayk s TYR 140 N -3.10 3.33 0.10 5.02 6.14 -1.26 -5.03 117.35 122.55 4ayk s TYR 140 Ca 0.15 1.00 -0.11 0.00 0.64 0.00 0.00 57.07 58.74 4ayk s TYR 140 Cb -0.05 -2.92 0.01 0.00 0.42 0.00 0.00 41.96 39.42 4ayk s TYR 140 CO 0.10 -0.30 0.26 0.95 0.64 0.00 0.00 175.55 177.20 4ayk s THR 141 N 2.42 0.12 -0.23 4.34 -4.23 -1.26 -5.14 115.64 111.66 4ayk s THR 141 Ca 0.31 -0.98 -0.11 0.00 -1.18 0.00 0.00 61.69 59.73 4ayk s THR 141 Cb -0.16 -1.28 -0.05 0.00 1.34 0.00 0.00 72.50 72.35 4ayk s THR 141 CO 0.09 -0.54 0.17 0.72 -0.54 0.00 0.00 174.62 174.52 4ayk s PHE 142 N -3.84 3.34 -0.32 3.99 -0.71 -1.26 -4.95 117.98 114.22 4ayk s PHE 142 Ca 0.04 0.27 0.16 0.00 -1.04 0.00 0.00 56.93 56.36 4ayk s PHE 142 Cb 0.04 -2.26 0.53 0.00 -1.21 0.00 0.00 43.02 40.12 4ayk s PHE 142 CO -0.11 0.12 1.43 -1.13 -1.34 0.00 0.00 175.22 174.19 4ayk n SER 143 N 4.10 3.93 0.00 1.98 3.41 -1.26 -5.06 113.62 120.72 4ayk n SER 143 Ca -0.15 -2.85 0.00 0.00 -0.26 0.00 0.00 58.87 55.62 4ayk n SER 143 Cb 0.52 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 4ayk n SER 143 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 4ayk n GLY 144 N -0.22 1.92 3.75 5.00 0.00 -1.26 -4.82 105.19 109.56 4ayk n GLY 144 Ca 0.21 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 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 7.62 -0.29 1.61 1.01 -1.26 -5.01 116.67 116.35 4ayk s ASP 145 Ca 0.00 1.94 -0.22 0.00 0.71 0.00 0.00 52.55 54.98 4ayk s ASP 145 Cb 0.00 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 4ayk s ASP 145 CO 0.00 0.14 0.70 -0.69 0.21 0.00 0.00 175.17 175.53 4ayk s VAL 146 N -1.22 4.88 0.09 -1.27 1.01 -1.26 -5.02 120.40 117.61 4ayk s VAL 146 Ca 0.42 1.07 -0.11 0.00 0.00 0.00 0.00 61.98 63.35 4ayk s VAL 146 Cb -0.25 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.08 4ayk s VAL 146 CO 0.31 -0.15 0.25 -1.10 0.00 0.00 0.00 175.10 174.41 4ayk s GLN 147 N 2.74 0.88 0.26 2.72 -1.52 -1.26 -5.14 119.66 118.35 4ayk s GLN 147 Ca 0.29 -0.82 -0.30 0.00 -1.95 0.00 0.00 55.36 52.58 4ayk s GLN 147 Cb -0.15 0.37 -0.09 0.00 -0.22 0.00 0.00 33.01 32.92 4ayk s GLN 147 CO 0.11 -0.30 1.05 -0.51 -0.25 0.00 0.00 175.29 175.40 4ayk s LEU 148 N -2.69 4.58 0.45 2.90 1.43 -1.26 -4.81 118.68 119.28 4ayk s LEU 148 Ca 0.03 2.17 0.01 0.00 -1.03 0.00 0.00 54.13 55.30 4ayk s LEU 148 Cb 0.03 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.63 4ayk s LEU 148 CO -0.10 -0.05 0.67 0.00 0.23 0.00 0.00 176.35 177.10 4ayk s ALA 149 N -1.13 3.79 0.24 4.21 0.00 -1.26 -4.90 121.76 122.71 4ayk s ALA 149 Ca 0.44 -1.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.23 4ayk s ALA 149 Cb -0.30 -2.11 0.24 0.00 0.00 0.00 0.00 23.12 20.94 4ayk s ALA 149 CO 0.38 -0.39 1.92 0.37 0.00 0.00 0.00 175.76 178.04 4ayk h GLN 150 N 0.40 1.26 -1.00 0.00 4.15 -1.96 0.43 115.11 118.39 4ayk h GLN 150 Ca -0.46 -0.08 0.05 0.00 0.77 0.00 0.00 58.65 58.94 4ayk h GLN 150 Cb 1.26 -0.28 -0.06 0.00 0.21 0.00 0.00 27.48 28.60 4ayk h GLN 150 CO 0.57 0.84 0.65 0.22 -1.93 0.00 0.00 178.83 179.17 4ayk h ASP 151 N 1.30 1.07 -0.06 -0.69 1.82 -1.96 0.13 116.42 118.03 4ayk h ASP 151 Ca 0.35 -0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.76 4ayk h ASP 151 Cb -0.15 -0.23 0.02 0.00 0.68 0.00 0.00 39.33 39.64 4ayk h ASP 151 CO -0.08 0.71 -0.85 0.44 -1.61 0.00 0.00 179.24 177.85 4ayk h ASP 152 N 1.22 0.85 0.00 2.28 3.32 -1.70 -1.75 116.42 120.65 4ayk h ASP 152 Ca 0.42 -0.70 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 4ayk h ASP 152 Cb 0.08 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.37 4ayk h ASP 152 CO -0.15 1.43 -0.00 0.40 -1.72 0.00 0.00 179.24 179.20 4ayk h ILE 153 N 0.35 1.12 -0.84 0.35 2.04 -0.40 -1.08 117.51 119.06 4ayk h ILE 153 Ca -0.09 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 4ayk h ILE 153 Cb 1.51 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 38.91 4ayk h ILE 153 CO 0.17 0.09 0.39 0.44 0.00 0.00 0.00 178.15 179.24 4ayk h ASP 154 N -0.15 1.12 0.43 1.72 3.32 -0.84 -0.57 116.42 121.45 4ayk h ASP 154 Ca -0.00 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 4ayk h ASP 154 Cb 0.15 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.42 4ayk h ASP 154 CO 0.00 0.95 -0.20 1.23 -1.72 0.00 0.00 179.24 179.50 4ayk h GLY 155 N 1.21 -0.60 1.10 2.75 0.00 -1.09 0.28 103.07 106.72 4ayk h GLY 155 Ca 0.29 0.22 -0.12 0.00 0.00 0.00 0.00 47.33 47.72 4ayk h GLY 155 CO -0.03 -0.22 -0.12 1.19 0.00 0.00 0.00 176.54 177.36 4ayk h ILE 156 N -0.78 1.27 -0.44 2.60 6.09 -1.19 -2.56 117.51 122.49 4ayk h ILE 156 Ca -0.06 -1.29 -0.14 0.00 -1.37 0.00 0.00 64.86 62.00 4ayk h ILE 156 Cb 0.54 0.98 -0.01 0.00 0.47 0.00 0.00 36.82 38.79 4ayk h ILE 156 CO 0.10 0.46 -0.29 1.56 -3.07 0.00 0.00 178.15 176.90 4ayk h GLN 157 N 0.92 0.97 -0.53 2.19 4.20 -1.11 -2.62 115.11 119.14 4ayk h GLN 157 Ca 0.14 -0.46 0.01 0.00 0.06 0.00 0.00 58.65 58.40 4ayk h GLN 157 Cb 0.70 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.44 4ayk h GLN 157 CO 0.05 1.13 0.35 0.00 -0.67 0.00 0.00 178.83 179.69 4ayk h ALA 158 N 0.83 0.68 -0.06 3.87 0.00 -0.33 2.29 119.26 126.54 4ayk h ALA 158 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 4ayk h ALA 158 Cb 0.88 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 4ayk h ALA 158 CO 0.08 0.12 0.04 0.82 0.00 0.00 0.00 179.25 180.30 4ayk h ILE 159 N 0.72 1.02 0.00 0.00 2.04 -1.38 -3.38 117.51 116.53 4ayk h ILE 159 Ca 0.20 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.01 4ayk h ILE 159 Cb -0.08 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 4ayk h ILE 159 CO -0.04 0.02 -0.18 -1.22 0.00 0.00 0.00 178.15 176.72 4ayk n TYR 160 N -5.04 0.07 0.00 1.37 4.01 -0.99 -5.13 117.16 111.44 4ayk n TYR 160 Ca -0.06 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 4ayk n TYR 160 Cb 0.03 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 38.87 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 1.57 -0.83 3.86 2.72 0.00 0.77 -5.04 105.19 108.23 4ayk n GLY 161 Ca -0.03 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.06 1.61 0.52 -1.26 -4.40 118.95 116.25 4ayk s ARG 162 Ca 0.00 0.40 -0.23 0.00 -0.52 0.00 0.00 55.73 55.38 4ayk s ARG 162 Cb 0.00 -2.70 -0.04 0.00 0.52 0.00 0.00 34.95 32.73 4ayk s ARG 162 CO 0.00 0.34 1.88 -1.12 0.02 0.00 0.00 175.30 176.41 4ayk s SER 163 N -2.16 5.38 -0.04 0.23 0.01 -1.26 -4.76 113.70 111.10 4ayk s SER 163 Ca 0.46 -1.29 0.00 0.00 1.31 0.00 0.00 55.95 56.42 4ayk s SER 163 Cb -0.12 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.57 4ayk s SER 163 CO 0.20 -2.62 1.45 0.00 0.41 0.00 0.00 173.24 172.68 4ayk n GLN 164 N 8.59 1.10 -2.95 12.44 6.02 -1.26 -4.23 117.38 137.09 4ayk n GLN 164 Ca 0.42 -0.21 -0.14 0.00 -0.01 0.00 0.00 57.00 57.05 4ayk n GLN 164 Cb 0.47 -1.08 -0.01 0.00 1.02 0.00 0.00 30.24 30.64 4ayk n GLN 164 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 4ayk n ASN 165 N 0.78 -1.77 -1.93 1.08 3.02 -1.26 -5.01 115.26 110.17 4ayk n ASN 165 Ca 0.04 -2.98 -0.11 0.00 -0.03 0.00 0.00 54.58 51.51 4ayk n ASN 165 Cb 0.55 0.82 -0.10 0.00 -0.61 0.00 0.00 39.78 40.43 4ayk n ASN 165 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 4ayk n PRO 166 N 1.85 1.79 -3.11 3.52 -0.04 -1.26 -4.92 135.00 132.82 4ayk n PRO 166 Ca 0.16 -0.94 -0.38 0.00 -0.04 0.00 0.00 63.50 62.30 4ayk n PRO 166 Cb 0.58 -1.75 -0.06 0.00 -0.04 0.00 0.00 33.50 32.23 4ayk n PRO 166 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 4ayk s VAL 167 N 0.19 4.55 0.50 0.52 -7.23 -1.26 -5.05 120.40 112.62 4ayk s VAL 167 Ca 0.47 1.41 -0.20 0.00 -1.81 0.00 0.00 61.98 61.85 4ayk s VAL 167 Cb 0.24 -3.97 -0.07 0.00 0.56 0.00 0.00 36.38 33.14 4ayk s VAL 167 CO -0.03 0.43 1.09 -1.10 -0.31 0.00 0.00 175.10 175.18 4ayk s GLN 168 N -1.41 3.64 0.00 4.82 -0.21 -1.26 -5.23 119.66 120.01 4ayk s GLN 168 Ca 0.36 1.50 0.00 0.00 0.02 0.00 0.00 55.36 57.24 4ayk s GLN 168 Cb -0.20 -2.11 0.00 0.00 1.00 0.00 0.00 33.01 31.70 4ayk s GLN 168 CO 0.22 -0.59 0.19 -2.30 -2.12 0.00 0.00 175.29 170.70