#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yav s ALA 14 N 0.00 2.26 0.14 0.62 0.00 -1.26 -4.93 121.76 118.59 1yav s ALA 14 Ca 0.00 -0.78 0.10 0.00 0.00 0.00 0.00 51.96 51.28 1yav s ALA 14 Cb 0.00 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 1yav s ALA 14 CO 0.00 -2.09 -0.21 0.95 0.00 0.00 0.00 175.76 174.41 1yav s THR 15 N -3.57 2.64 0.20 0.00 -4.23 -1.26 -1.48 115.64 107.94 1yav s THR 15 Ca 0.66 -1.66 -0.11 0.00 -1.18 0.00 0.00 61.69 59.40 1yav s THR 15 Cb -0.10 -2.22 0.13 0.00 1.34 0.00 0.00 72.50 71.65 1yav s THR 15 CO 0.51 0.05 1.74 0.58 -0.54 0.00 0.00 174.62 176.96 1yav h VAL 16 N 3.53 0.76 -0.95 2.29 2.07 -0.48 -3.17 116.25 120.29 1yav h VAL 16 Ca -0.49 -0.12 0.29 0.00 0.82 0.00 0.00 66.70 67.20 1yav h VAL 16 Cb 1.18 0.38 -0.16 0.00 -1.52 0.00 0.00 31.29 31.16 1yav h VAL 16 CO 0.45 0.06 0.25 1.23 0.02 0.00 0.00 177.57 179.58 1yav h GLY 17 N 0.35 1.56 2.00 2.17 0.00 -1.77 -1.42 103.07 105.96 1yav h GLY 17 Ca 0.28 -0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.49 1yav h GLY 17 CO -0.31 -0.52 -0.58 1.46 0.00 0.00 0.00 176.54 176.59 1yav h GLN 18 N 0.10 0.00 0.00 4.80 4.20 -1.83 -3.26 115.11 119.12 1yav h GLN 18 Ca 0.64 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.35 1yav h GLN 18 Cb 1.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.21 1yav h GLN 18 CO -0.77 0.58 -0.51 1.19 -0.67 0.00 0.00 178.83 178.64 1yav n PHE 19 N -3.37 0.11 -1.54 2.96 3.01 -0.59 -4.94 117.46 113.11 1yav n PHE 19 Ca 0.01 0.03 -0.31 0.00 1.01 0.00 0.00 57.45 58.19 1yav n PHE 19 Cb 0.71 -0.34 0.06 0.00 -0.01 0.00 0.00 39.48 39.90 1yav n PHE 19 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yav s MET 20 N -3.04 2.80 -0.24 -1.08 0.23 -0.90 -4.80 119.30 112.27 1yav s MET 20 Ca 0.10 0.95 -0.17 0.00 -1.03 0.00 0.00 55.69 55.53 1yav s MET 20 Cb 0.17 -1.98 -0.03 0.00 -1.53 0.00 0.00 34.83 31.46 1yav s MET 20 CO 0.70 -1.19 0.48 0.42 -2.03 0.00 0.00 175.02 173.40 1yav s ILE 21 N -3.04 5.10 0.57 3.16 1.01 -0.21 -4.93 121.20 122.87 1yav s ILE 21 Ca 0.59 0.84 -0.20 0.00 0.00 0.00 0.00 60.65 61.87 1yav s ILE 21 Cb -0.14 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 1yav s ILE 21 CO 0.55 0.13 1.10 -1.84 0.00 0.00 0.00 174.94 174.88 1yav n GLU 22 N 5.24 1.18 -0.20 2.79 0.00 -1.26 -2.13 120.64 126.26 1yav n GLU 22 Ca -0.05 0.44 0.17 0.00 0.00 0.00 0.00 57.16 57.73 1yav n GLU 22 Cb 0.50 -2.29 0.51 0.00 0.00 0.00 0.00 31.44 30.17 1yav n GLU 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1yav h ALA 23 N 0.87 2.18 -0.62 -1.84 0.00 -0.67 -1.79 119.26 117.39 1yav h ALA 23 Ca -0.49 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.49 1yav h ALA 23 Cb 1.34 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1yav h ALA 23 CO 0.53 -0.42 0.41 -0.44 0.00 0.00 0.00 179.25 179.34 1yav h ASP 24 N 0.40 0.53 -0.53 0.00 5.19 -1.89 -1.30 116.42 118.82 1yav h ASP 24 Ca 0.42 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.83 1yav h ASP 24 Cb 1.02 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.41 1yav h ASP 24 CO -0.14 0.35 0.00 0.29 -3.12 0.00 0.00 179.24 176.62 1yav n LYS 25 N -4.48 3.08 -4.76 3.56 5.02 -0.67 -4.86 118.16 115.05 1yav n LYS 25 Ca 0.09 -2.25 -0.33 0.00 -2.02 0.00 0.00 58.31 53.80 1yav n LYS 25 Cb 0.24 -1.73 -0.16 0.00 -0.02 0.00 0.00 35.03 33.36 1yav n LYS 25 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yav s VAL 26 N -1.72 2.52 0.51 -0.18 1.01 -0.49 -4.98 120.40 117.06 1yav s VAL 26 Ca 0.40 -0.84 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 1yav s VAL 26 Cb 0.25 -2.03 -0.07 0.00 0.00 0.00 0.00 36.38 34.53 1yav s VAL 26 CO 0.20 0.53 1.09 0.00 0.00 0.00 0.00 175.10 176.93 1yav s ALA 27 N 0.61 2.81 0.21 5.51 0.00 -1.26 -4.95 121.76 124.69 1yav s ALA 27 Ca -0.10 0.74 -0.20 0.00 0.00 0.00 0.00 51.96 52.39 1yav s ALA 27 Cb -0.16 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 19.68 1yav s ALA 27 CO 0.03 -0.54 0.61 -3.38 0.00 0.00 0.00 175.76 172.48 1yav s HIS 28 N -1.84 -0.26 0.38 0.00 -3.43 -1.26 -4.22 115.29 104.66 1yav s HIS 28 Ca 0.69 -0.08 0.03 0.00 -0.80 0.00 0.00 55.06 54.90 1yav s HIS 28 Cb -0.21 0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 31.45 1yav s HIS 28 CO 0.24 -1.01 0.10 0.14 -2.00 0.00 0.00 174.74 172.22 1yav s VAL 29 N -3.86 0.81 0.22 -5.38 -7.23 -0.87 -5.01 120.40 99.09 1yav s VAL 29 Ca 0.08 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.32 1yav s VAL 29 Cb -0.03 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 1yav s VAL 29 CO -0.02 0.00 0.13 -1.10 -0.31 0.00 0.00 175.10 173.80 1yav s GLN 30 N -3.80 2.77 0.53 4.82 -0.21 -1.26 -0.79 119.66 121.72 1yav s GLN 30 Ca 0.28 -1.06 0.19 0.00 0.02 0.00 0.00 55.36 54.79 1yav s GLN 30 Cb 0.05 -2.50 1.36 0.00 1.00 0.00 0.00 33.01 32.91 1yav s GLN 30 CO 0.14 0.42 2.13 -0.39 -2.12 0.00 0.00 175.29 175.48 1yav h VAL 31 N 1.81 0.89 -0.00 1.09 -1.51 -1.44 -1.99 116.25 115.09 1yav h VAL 31 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1yav h VAL 31 Cb 1.23 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 1yav h VAL 31 CO 0.61 0.00 -0.24 0.61 -1.23 0.00 0.00 177.57 177.32 1yav n GLY 32 N -1.53 -0.93 3.78 5.19 0.00 -1.26 -1.76 105.19 108.67 1yav n GLY 32 Ca -0.01 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 1yav n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yav s ASN 33 N -2.64 4.83 0.49 1.61 0.02 -0.75 -4.78 114.94 113.73 1yav s ASN 33 Ca 0.22 1.85 -0.01 0.00 -1.02 0.00 0.00 52.86 53.90 1yav s ASN 33 Cb 0.19 -2.53 0.00 0.00 0.02 0.00 0.00 41.25 38.94 1yav s ASN 33 CO 0.54 -1.81 0.73 0.54 0.02 0.00 0.00 177.10 177.12 1yav s ASN 34 N -3.18 5.73 0.48 -1.22 2.20 -1.26 -0.38 114.94 117.30 1yav s ASN 34 Ca 0.63 0.35 0.15 0.00 -0.94 0.00 0.00 52.86 53.05 1yav s ASN 34 Cb -0.18 -1.51 1.12 0.00 -2.00 0.00 0.00 41.25 38.68 1yav s ASN 34 CO 0.51 -0.82 2.06 -0.07 -2.94 0.00 0.00 177.10 175.84 1yav h LEU 35 N 0.24 0.00 -0.31 3.54 3.38 0.08 -2.27 115.31 119.98 1yav h LEU 35 Ca -0.46 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 1yav h LEU 35 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1yav h LEU 35 CO 0.58 0.11 0.09 -0.08 0.09 0.00 0.00 178.44 179.22 1yav h GLU 36 N 0.00 0.48 -0.43 1.13 4.81 -1.82 0.15 114.58 118.90 1yav h GLU 36 Ca -0.00 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1yav h GLU 36 Cb 0.19 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1yav h GLU 36 CO 0.01 0.54 0.14 1.25 -0.73 0.00 0.00 179.01 180.22 1yav h HIS 37 N 0.33 0.69 -0.69 0.92 2.76 -1.84 -0.49 115.15 116.83 1yav h HIS 37 Ca 0.10 -0.07 0.05 0.00 -2.20 0.00 0.00 60.37 58.26 1yav h HIS 37 Cb 0.27 -0.20 -0.05 0.00 1.55 0.00 0.00 27.41 28.97 1yav h HIS 37 CO 0.01 0.62 0.40 0.00 -1.30 0.00 0.00 177.93 177.66 1yav h ALA 38 N 0.99 0.93 -0.31 5.26 0.00 -1.18 -0.98 119.26 123.97 1yav h ALA 38 Ca 0.14 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1yav h ALA 38 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1yav h ALA 38 CO -0.01 0.10 -0.25 1.25 0.00 0.00 0.00 179.25 180.35 1yav h LEU 39 N 0.74 0.62 -0.53 0.00 5.85 -0.40 -1.75 115.31 119.85 1yav h LEU 39 Ca 0.30 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 1yav h LEU 39 Cb 0.16 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1yav h LEU 39 CO -0.17 0.85 0.14 0.25 -0.34 0.00 0.00 178.44 179.18 1yav h LEU 40 N 0.54 0.78 -0.23 2.25 5.85 -0.24 -1.43 115.31 122.84 1yav h LEU 40 Ca 0.08 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1yav h LEU 40 Cb 0.71 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1yav h LEU 40 CO 0.05 0.80 0.05 0.58 -0.34 0.00 0.00 178.44 179.58 1yav h VAL 41 N 0.73 1.22 -0.45 1.05 2.07 -1.02 -1.49 116.25 118.36 1yav h VAL 41 Ca 0.17 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 67.01 1yav h VAL 41 Cb 0.31 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1yav h VAL 41 CO -0.00 0.22 0.25 -0.07 0.02 0.00 0.00 177.57 177.99 1yav h LEU 42 N 0.18 0.39 -0.40 2.57 3.38 -1.23 -1.02 115.31 119.19 1yav h LEU 42 Ca 0.07 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1yav h LEU 42 Cb 0.29 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1yav h LEU 42 CO 0.00 0.28 0.03 0.71 0.09 0.00 0.00 178.44 179.54 1yav h THR 43 N 0.50 1.25 0.00 0.22 1.35 -1.20 -1.02 112.91 114.01 1yav h THR 43 Ca 0.18 -0.96 -0.10 0.00 -0.55 0.00 0.00 66.41 64.99 1yav h THR 43 Cb 0.05 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.54 1yav h THR 43 CO -0.10 0.33 -0.48 0.11 -0.25 0.00 0.00 175.52 175.12 1yav h LYS 44 N 0.53 0.00 0.00 4.72 1.79 -1.14 -3.16 116.57 119.31 1yav h LYS 44 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1yav h LYS 44 Cb 0.44 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1yav h LYS 44 CO 0.02 0.48 -0.95 0.25 -1.08 0.00 0.00 179.45 178.17 1yav n THR 45 N -3.40 0.38 -0.51 -0.16 -2.24 -0.40 -4.95 114.28 103.00 1yav n THR 45 Ca 0.01 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1yav n THR 45 Cb 0.63 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1yav n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yav n GLY 46 N 1.29 1.21 3.77 3.38 0.00 -0.43 -5.02 105.19 109.39 1yav n GLY 46 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1yav n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yav s TYR 47 N -3.22 2.70 -0.54 1.61 1.51 -0.96 -4.93 117.35 113.52 1yav s TYR 47 Ca 0.00 1.53 0.16 0.00 -1.01 0.00 0.00 57.07 57.75 1yav s TYR 47 Cb 0.00 -3.37 -0.19 0.00 -0.11 0.00 0.00 41.96 38.29 1yav s TYR 47 CO 0.00 -1.68 0.58 0.25 -1.11 0.00 0.00 175.55 173.59 1yav n THR 48 N -1.00 0.00 -3.70 -0.71 -2.24 -1.26 -4.50 114.28 100.88 1yav n THR 48 Ca 0.10 -0.20 -0.14 0.00 -2.27 0.00 0.00 64.05 61.55 1yav n THR 48 Cb 0.49 0.76 -0.09 0.00 -2.10 0.00 0.00 70.33 69.39 1yav n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yav s ALA 49 N -2.66 -1.24 0.02 6.98 0.00 -1.26 -2.15 121.76 121.45 1yav s ALA 49 Ca 0.03 1.33 0.01 0.00 0.00 0.00 0.00 51.96 53.32 1yav s ALA 49 Cb 0.11 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 1yav s ALA 49 CO 0.65 -0.25 -0.04 0.96 0.00 0.00 0.00 175.76 177.09 1yav s ILE 50 N 0.05 0.24 0.50 0.00 -4.36 -0.53 -4.98 121.20 112.12 1yav s ILE 50 Ca -0.02 -0.76 -0.23 0.00 -0.26 0.00 0.00 60.65 59.38 1yav s ILE 50 Cb -0.03 -0.33 -0.07 0.00 1.25 0.00 0.00 42.46 43.28 1yav s ILE 50 CO 0.02 -0.34 1.34 -2.65 0.24 0.00 0.00 174.94 173.55 1yav n PRO 51 N 1.90 1.84 -4.09 0.37 -0.02 -1.26 -2.48 135.00 131.26 1yav n PRO 51 Ca -0.21 0.67 -0.33 0.00 -2.02 0.00 0.00 63.50 61.60 1yav n PRO 51 Cb 0.56 -2.53 -0.16 0.00 -0.02 0.00 0.00 33.50 31.35 1yav n PRO 51 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1yav s VAL 52 N -1.26 2.25 0.37 -1.45 1.01 0.12 -2.05 120.40 119.38 1yav s VAL 52 Ca 0.67 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.83 1yav s VAL 52 Cb -0.44 -1.97 -0.06 0.00 0.00 0.00 0.00 36.38 33.90 1yav s VAL 52 CO 0.53 0.50 0.00 -0.76 0.00 0.00 0.00 175.10 175.37 1yav s LEU 53 N 1.31 2.91 0.50 3.92 1.43 0.03 -0.77 118.68 128.01 1yav s LEU 53 Ca 0.05 -1.14 0.08 0.00 -1.03 0.00 0.00 54.13 52.09 1yav s LEU 53 Cb -0.13 -1.17 0.04 0.00 0.03 0.00 0.00 46.19 44.96 1yav s LEU 53 CO -0.11 -0.31 0.60 1.51 0.23 0.00 0.00 176.35 178.27 1yav s ASP 54 N -3.71 5.16 0.45 2.29 1.47 -0.94 -1.10 116.67 120.29 1yav s ASP 54 Ca 0.35 -0.78 0.25 0.00 1.18 0.00 0.00 52.55 53.55 1yav s ASP 54 Cb 0.03 -0.08 1.37 0.00 -0.34 0.00 0.00 42.92 43.90 1yav s ASP 54 CO 0.19 -1.04 1.74 -0.65 0.68 0.00 0.00 175.17 176.10 1yav h PRO 55 N 0.53 0.00 -0.56 2.11 0.11 -1.99 -0.25 132.00 131.95 1yav h PRO 55 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1yav h PRO 55 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1yav h PRO 55 CO 0.47 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.69 1yav n SER 56 N -2.47 3.04 -1.08 -2.05 7.64 -1.26 -4.91 113.62 112.53 1yav n SER 56 Ca -0.02 -2.07 -0.14 0.00 1.01 0.00 0.00 58.87 57.66 1yav n SER 56 Cb 0.18 -0.39 -0.06 0.00 -1.01 0.00 0.00 64.21 62.94 1yav n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yav n TYR 57 N 1.02 -0.03 -3.21 1.43 9.36 -0.11 -4.96 117.16 120.65 1yav n TYR 57 Ca 0.18 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 61.02 1yav n TYR 57 Cb 0.50 -2.48 -0.06 0.00 -0.63 0.00 0.00 39.34 36.67 1yav n TYR 57 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1yav s ARG 58 N -3.24 4.24 -0.29 2.98 0.52 -1.26 -1.32 118.95 120.58 1yav s ARG 58 Ca 0.00 0.79 -0.29 0.00 -0.52 0.00 0.00 55.73 55.71 1yav s ARG 58 Cb 0.00 -3.15 0.01 0.00 0.52 0.00 0.00 34.95 32.33 1yav s ARG 58 CO 0.00 0.57 1.13 -1.17 0.02 0.00 0.00 175.30 175.85 1yav s LEU 59 N -1.36 3.97 -0.04 2.53 2.96 0.74 -2.22 118.68 125.26 1yav s LEU 59 Ca 0.33 1.19 0.16 0.00 -0.22 0.00 0.00 54.13 55.59 1yav s LEU 59 Cb -0.19 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.71 1yav s LEU 59 CO 0.20 -0.88 0.31 1.41 -1.32 0.00 0.00 176.35 176.08 1yav n HIS 60 N 6.90 0.00 -3.84 5.38 8.25 0.06 -5.00 115.22 126.97 1yav n HIS 60 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1yav n HIS 60 Cb 0.47 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1yav n HIS 60 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1yav n GLY 61 N 1.65 -0.98 3.20 -1.41 0.00 -1.13 -4.57 105.19 101.95 1yav n GLY 61 Ca -0.06 -1.10 -0.18 0.00 0.00 0.00 0.00 46.02 44.67 1yav n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yav s LEU 62 N 0.00 2.33 0.00 0.99 1.43 -0.27 0.13 118.68 123.30 1yav s LEU 62 Ca 0.00 -0.70 -0.00 0.00 -1.03 0.00 0.00 54.13 52.40 1yav s LEU 62 Cb 0.00 -0.51 -0.00 0.00 0.03 0.00 0.00 46.19 45.70 1yav s LEU 62 CO 0.00 -0.12 -0.00 -0.51 0.23 0.00 0.00 176.35 175.95 1yav s ILE 63 N -1.69 0.02 0.24 -0.59 2.07 -1.03 0.33 121.20 120.55 1yav s ILE 63 Ca 0.03 -0.13 0.06 0.00 -1.41 0.00 0.00 60.65 59.19 1yav s ILE 63 Cb -0.08 -0.05 -0.05 0.00 0.13 0.00 0.00 42.46 42.41 1yav s ILE 63 CO 0.02 -0.07 -0.06 -0.83 -1.91 0.00 0.00 174.94 172.09 1yav s GLY 64 N -0.21 1.63 0.20 1.50 0.00 -1.26 -1.46 107.32 107.71 1yav s GLY 64 Ca -0.02 -1.80 -0.11 0.00 0.00 0.00 0.00 44.72 42.79 1yav s GLY 64 CO -0.00 -1.76 1.77 -0.84 0.00 0.00 0.00 173.10 172.28 1yav h THR 65 N 2.41 0.89 -0.67 0.90 2.02 -1.77 -1.03 112.91 115.67 1yav h THR 65 Ca -0.39 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 66.56 1yav h THR 65 Cb 1.23 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 1yav h THR 65 CO 0.65 0.09 0.17 -1.13 0.37 0.00 0.00 175.52 175.68 1yav h ASN 66 N 0.50 0.99 -0.48 4.18 -0.73 -1.97 -0.10 115.58 117.96 1yav h ASN 66 Ca 0.27 -0.20 0.02 0.00 1.87 0.00 0.00 56.30 58.27 1yav h ASN 66 Cb 0.23 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 38.53 1yav h ASN 66 CO -0.21 0.94 0.28 0.24 -0.37 0.00 0.00 177.43 178.31 1yav h MET 67 N 1.00 0.54 -0.42 6.67 2.86 -1.77 -0.13 114.93 123.68 1yav h MET 67 Ca 0.21 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1yav h MET 67 Cb 0.34 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1yav h MET 67 CO -0.00 0.36 0.17 0.82 1.06 0.00 0.00 176.91 179.32 1yav h ILE 68 N 0.56 1.20 -0.57 -1.22 2.04 -0.65 -1.44 117.51 117.43 1yav h ILE 68 Ca 0.19 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.46 1yav h ILE 68 Cb 0.02 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1yav h ILE 68 CO -0.09 0.23 0.35 0.24 0.00 0.00 0.00 178.15 178.87 1yav h MET 69 N 0.54 0.66 -0.25 2.37 2.86 -0.54 -2.39 114.93 118.17 1yav h MET 69 Ca 0.14 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.65 1yav h MET 69 Cb 0.19 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1yav h MET 69 CO -0.01 0.44 -0.22 -0.91 1.06 0.00 0.00 176.91 177.26 1yav h ASN 70 N 0.68 0.46 0.34 1.22 2.35 -0.85 -1.21 115.58 118.58 1yav h ASN 70 Ca 0.23 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1yav h ASN 70 Cb 0.03 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 1yav h ASN 70 CO -0.10 0.69 -0.13 0.77 -1.65 0.00 0.00 177.43 177.01 1yav h SER 71 N 0.41 0.00 -0.12 5.81 4.64 -0.74 -2.61 113.55 120.94 1yav h SER 71 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1yav h SER 71 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1yav h SER 71 CO 0.04 0.13 0.00 2.30 -0.87 0.00 0.00 176.83 178.43 1yav n ILE 72 N -3.72 0.34 -2.47 0.95 -5.35 -1.07 -4.96 119.36 103.08 1yav n ILE 72 Ca -0.02 -0.67 -0.43 0.00 -0.27 0.00 0.00 62.75 61.36 1yav n ILE 72 Cb 0.24 0.97 -0.02 0.00 -1.74 0.00 0.00 39.64 39.09 1yav n ILE 72 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1yav s PHE 73 N -0.92 2.70 0.62 4.28 5.36 -0.48 -1.04 117.98 128.51 1yav s PHE 73 Ca 0.16 0.84 -0.01 0.00 -0.96 0.00 0.00 56.93 56.95 1yav s PHE 73 Cb 0.10 -4.08 0.06 0.00 -0.34 0.00 0.00 43.02 38.76 1yav s PHE 73 CO 0.14 -1.57 0.87 0.20 -1.46 0.00 0.00 175.22 173.41 1yav s GLY 74 N 2.85 1.78 0.29 13.12 0.00 0.30 -4.94 107.32 120.73 1yav s GLY 74 Ca 0.54 -1.29 0.19 0.00 0.00 0.00 0.00 44.72 44.16 1yav s GLY 74 CO 0.26 -0.93 1.58 1.47 0.00 0.00 0.00 173.10 175.48 1yav n LEU 75 N -2.58 0.50 0.00 0.66 -0.00 -1.26 -3.21 117.00 111.11 1yav n LEU 75 Ca 0.09 0.73 0.00 0.00 -0.00 0.00 0.00 56.01 56.83 1yav n LEU 75 Cb 0.60 -0.78 0.00 0.00 -0.00 0.00 0.00 43.42 43.24 1yav n LEU 75 CO 0.46 -0.90 -0.09 -0.62 -0.00 0.00 0.00 177.39 176.25 1yav n GLU 76 N -2.18 3.51 -3.69 1.47 1.02 -1.26 -5.14 120.64 114.38 1yav n GLU 76 Ca -0.01 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.03 1yav n GLU 76 Cb 0.05 -0.47 -0.04 0.00 -0.02 0.00 0.00 31.44 30.96 1yav n GLU 76 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1yav s ARG 77 N -0.46 1.25 -0.45 3.49 1.70 -1.20 -5.12 118.95 118.17 1yav s ARG 77 Ca 0.00 -0.80 -0.20 0.00 -0.47 0.00 0.00 55.73 54.26 1yav s ARG 77 Cb 0.00 0.50 0.03 0.00 -0.57 0.00 0.00 34.95 34.91 1yav s ARG 77 CO 0.00 -0.52 0.61 0.42 -1.08 0.00 0.00 175.30 174.74 1yav s ILE 78 N -3.85 4.86 -1.29 4.99 -1.09 -1.26 0.11 121.20 123.67 1yav s ILE 78 Ca 0.07 -0.03 -0.14 0.00 -2.23 0.00 0.00 60.65 58.32 1yav s ILE 78 Cb 0.00 -4.20 0.12 0.00 -1.58 0.00 0.00 42.46 36.81 1yav s ILE 78 CO -0.06 -0.61 1.75 -0.62 -1.23 0.00 0.00 174.94 174.17 1yav n GLU 79 N 6.17 3.30 -0.31 2.79 -0.58 -0.20 -4.78 120.64 127.04 1yav n GLU 79 Ca -0.03 -3.42 -0.01 0.00 -0.42 0.00 0.00 57.16 53.28 1yav n GLU 79 Cb 0.47 -3.17 0.17 0.00 -0.57 0.00 0.00 31.44 28.34 1yav n GLU 79 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 1yav h PHE 80 N 6.72 1.13 0.00 -0.32 0.04 -1.94 -2.72 116.94 119.84 1yav h PHE 80 Ca 0.41 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.21 1yav h PHE 80 Cb 0.77 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 38.54 1yav h PHE 80 CO 1.28 0.71 0.00 0.39 -0.60 0.00 0.00 178.31 180.09 1yav n GLU 81 N -4.40 0.02 0.00 1.51 -0.58 -1.26 -1.17 120.64 114.76 1yav n GLU 81 Ca 0.10 0.36 0.09 0.00 -0.42 0.00 0.00 57.16 57.29 1yav n GLU 81 Cb 0.02 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.46 1yav n GLU 81 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1yav n LYS 82 N -1.39 1.42 -0.11 3.49 2.85 -1.03 -4.63 118.16 118.77 1yav n LYS 82 Ca 0.01 -1.46 -0.05 0.00 -1.05 0.00 0.00 58.31 55.76 1yav n LYS 82 Cb 0.02 -1.33 0.02 0.00 -0.65 0.00 0.00 35.03 33.10 1yav n LYS 82 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1yav h LEU 83 N 3.23 -0.18 -0.23 -5.58 3.38 -1.28 -1.19 115.31 113.47 1yav h LEU 83 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1yav h LEU 83 Cb 0.70 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1yav h LEU 83 CO 0.00 -0.05 0.00 -0.90 0.09 0.00 0.00 178.44 177.58 1yav n ASP 84 N -5.20 0.16 -0.12 -0.43 5.68 -1.26 -2.30 116.55 113.08 1yav n ASP 84 Ca 0.02 -1.41 0.06 0.00 -0.50 0.00 0.00 54.79 52.96 1yav n ASP 84 Cb 0.20 -0.08 -0.04 0.00 -1.14 0.00 0.00 41.12 40.06 1yav n ASP 84 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1yav n GLN 85 N -0.35 2.68 -5.00 0.11 6.02 -0.45 -4.86 117.38 115.53 1yav n GLN 85 Ca 0.00 -0.28 -0.32 0.00 -0.01 0.00 0.00 57.00 56.38 1yav n GLN 85 Cb 0.04 -1.09 -0.14 0.00 1.02 0.00 0.00 30.24 30.07 1yav n GLN 85 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1yav s ILE 86 N -1.85 2.74 0.37 5.09 1.01 -0.97 -5.03 121.20 122.55 1yav s ILE 86 Ca 0.07 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.85 1yav s ILE 86 Cb 0.09 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 1yav s ILE 86 CO 0.40 0.58 0.63 0.42 0.00 0.00 0.00 174.94 176.97 1yav s THR 87 N -0.45 5.00 0.31 2.92 -4.23 -1.26 0.13 115.64 118.05 1yav s THR 87 Ca 0.05 -0.02 0.01 0.00 -1.18 0.00 0.00 61.69 60.55 1yav s THR 87 Cb -0.12 -3.81 0.28 0.00 1.34 0.00 0.00 72.50 70.19 1yav s THR 87 CO 0.02 -0.55 1.94 0.58 -0.54 0.00 0.00 174.62 176.06 1yav h VAL 88 N 0.85 1.10 -0.82 2.29 2.07 -0.75 -2.52 116.25 118.47 1yav h VAL 88 Ca -0.48 -0.34 0.16 0.00 0.82 0.00 0.00 66.70 66.85 1yav h VAL 88 Cb 1.20 0.01 -0.10 0.00 -1.52 0.00 0.00 31.29 30.88 1yav h VAL 88 CO 0.63 0.18 0.37 -0.33 0.02 0.00 0.00 177.57 178.45 1yav h GLU 89 N 1.01 0.50 0.00 1.57 5.08 -1.60 0.94 114.58 122.06 1yav h GLU 89 Ca 0.35 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1yav h GLU 89 Cb 0.11 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1yav h GLU 89 CO -0.11 0.33 0.00 0.93 -1.00 0.00 0.00 179.01 179.15 1yav h GLU 90 N 0.51 0.00 0.00 2.33 5.08 -1.76 -3.34 114.58 117.40 1yav h GLU 90 Ca 0.46 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.72 1yav h GLU 90 Cb 0.71 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1yav h GLU 90 CO -0.41 0.00 -1.36 0.28 -1.00 0.00 0.00 179.01 176.52 1yav n VAL 91 N -2.69 0.36 -1.23 3.13 0.31 -0.70 -5.07 118.33 112.45 1yav n VAL 91 Ca 0.01 -0.17 -0.36 0.00 -0.01 0.00 0.00 64.34 63.81 1yav n VAL 91 Cb 0.28 -0.79 0.06 0.00 -0.91 0.00 0.00 33.84 32.48 1yav n VAL 91 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1yav n MET 92 N -2.47 0.23 -3.13 5.55 0.00 0.24 -4.95 117.12 112.59 1yav n MET 92 Ca -0.10 0.11 -0.40 0.00 0.00 0.00 0.00 57.70 57.31 1yav n MET 92 Cb 0.64 -1.69 -0.06 0.00 0.00 0.00 0.00 33.22 32.12 1yav n MET 92 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 1yav s LEU 93 N 0.85 4.21 -0.02 3.17 2.96 0.15 -4.92 118.68 125.08 1yav s LEU 93 Ca 0.63 0.93 0.17 0.00 -0.22 0.00 0.00 54.13 55.63 1yav s LEU 93 Cb -0.35 -2.91 -0.25 0.00 0.50 0.00 0.00 46.19 43.17 1yav s LEU 93 CO 0.61 -0.19 0.39 1.07 -1.32 0.00 0.00 176.35 176.91 1yav n THR 94 N 4.28 0.00 -3.24 3.68 5.66 -1.26 -1.11 114.28 122.29 1yav n THR 94 Ca -0.02 -0.36 -0.45 0.00 -3.05 0.00 0.00 64.05 60.16 1yav n THR 94 Cb 0.50 0.19 -0.01 0.00 -1.55 0.00 0.00 70.33 69.47 1yav n THR 94 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1yav s ASP 95 N -3.82 7.08 0.26 1.09 -1.08 -1.26 -4.77 116.67 114.17 1yav s ASP 95 Ca -0.05 -3.13 0.10 0.00 -0.52 0.00 0.00 52.55 48.95 1yav s ASP 95 Cb 0.11 -2.26 -0.04 0.00 -1.46 0.00 0.00 42.92 39.27 1yav s ASP 95 CO 0.70 -0.50 -0.07 0.27 0.52 0.00 0.00 175.17 176.08 1yav s ILE 96 N -0.10 3.14 0.39 4.11 -4.36 -1.26 -5.09 121.20 118.03 1yav s ILE 96 Ca 0.29 -2.04 -0.26 0.00 -0.26 0.00 0.00 60.65 58.38 1yav s ILE 96 Cb -0.08 -2.66 -0.09 0.00 1.25 0.00 0.00 42.46 40.88 1yav s ILE 96 CO -0.07 -0.36 1.24 -2.84 0.24 0.00 0.00 174.94 173.15 1yav s PRO 97 N -3.55 4.06 -0.01 0.37 0.02 -1.26 -5.03 135.00 129.60 1yav s PRO 97 Ca 0.30 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.34 1yav s PRO 97 Cb -0.06 -2.77 0.01 0.00 0.02 0.00 0.00 34.50 31.70 1yav s PRO 97 CO 0.18 -0.37 0.00 1.03 -0.33 0.00 0.00 177.00 177.52 1yav s ARG 98 N -2.19 0.08 0.10 5.54 0.52 -1.26 -4.14 118.95 117.61 1yav s ARG 98 Ca 0.56 0.05 0.08 0.00 -0.52 0.00 0.00 55.73 55.90 1yav s ARG 98 Cb -0.35 -0.20 -0.04 0.00 0.52 0.00 0.00 34.95 34.88 1yav s ARG 98 CO 0.45 -0.06 -0.17 -0.51 0.02 0.00 0.00 175.30 175.03 1yav s LEU 99 N 0.48 2.73 0.10 2.53 1.43 -0.24 -5.02 118.68 120.70 1yav s LEU 99 Ca -0.04 -0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 52.45 1yav s LEU 99 Cb -0.06 -1.58 -0.06 0.00 0.03 0.00 0.00 46.19 44.52 1yav s LEU 99 CO -0.01 0.19 0.42 -2.28 0.23 0.00 0.00 176.35 174.90 1yav s HIS 100 N -1.11 3.57 -1.85 0.29 5.65 -1.26 -1.20 115.29 119.37 1yav s HIS 100 Ca 0.18 0.80 0.00 0.00 0.25 0.00 0.00 55.06 56.29 1yav s HIS 100 Cb -0.11 -2.17 0.00 0.00 -1.18 0.00 0.00 32.58 29.12 1yav s HIS 100 CO 0.10 0.49 0.37 1.51 -0.65 0.00 0.00 174.74 176.56 1yav n ILE 101 N 0.78 0.00 -0.74 0.89 3.06 -1.06 -1.24 119.36 121.05 1yav n ILE 101 Ca -0.07 0.00 0.01 0.00 -2.50 0.00 0.00 62.75 60.19 1yav n ILE 101 Cb 0.52 -0.90 0.01 0.00 0.54 0.00 0.00 39.64 39.81 1yav n ILE 101 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1yav n ASN 102 N -0.87 0.86 -4.87 9.51 3.02 -1.26 -3.22 115.26 118.43 1yav n ASN 102 Ca 0.00 -1.58 -0.30 0.00 -0.03 0.00 0.00 54.58 52.67 1yav n ASN 102 Cb 0.00 -0.05 0.04 0.00 -0.61 0.00 0.00 39.78 39.17 1yav n ASN 102 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1yav s ASP 103 N -0.63 5.48 0.53 6.41 1.01 -0.37 -4.82 116.67 124.27 1yav s ASP 103 Ca 0.02 1.21 -0.19 0.00 0.71 0.00 0.00 52.55 54.30 1yav s ASP 103 Cb 0.02 -2.04 -0.07 0.00 1.01 0.00 0.00 42.92 41.84 1yav s ASP 103 CO 0.00 -1.33 1.07 -2.84 0.21 0.00 0.00 175.17 172.29 1yav s PRO 104 N -5.30 3.54 0.50 8.23 0.02 -1.26 0.17 135.00 140.90 1yav s PRO 104 Ca 0.58 1.42 0.28 0.00 0.02 0.00 0.00 61.00 63.30 1yav s PRO 104 Cb -0.11 -2.05 1.24 0.00 0.02 0.00 0.00 34.50 33.59 1yav s PRO 104 CO 0.52 -0.66 1.96 0.82 -0.33 0.00 0.00 177.00 179.31 1yav h ILE 105 N 1.22 0.41 0.00 2.83 2.04 -1.53 -1.76 117.51 120.71 1yav h ILE 105 Ca -0.49 -0.77 -0.05 0.00 1.00 0.00 0.00 64.86 64.55 1yav h ILE 105 Cb 1.23 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 1yav h ILE 105 CO 0.58 0.13 -0.21 -0.03 0.00 0.00 0.00 178.15 178.62 1yav h MET 106 N 0.00 0.00 -0.12 2.37 4.05 -1.92 0.87 114.93 120.18 1yav h MET 106 Ca -0.00 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.28 1yav h MET 106 Cb 0.55 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.35 1yav h MET 106 CO 0.02 0.21 -0.45 -0.22 0.23 0.00 0.00 176.91 176.70 1yav h LYS 107 N 0.00 0.52 0.16 0.39 1.63 -1.70 -2.49 116.57 115.07 1yav h LYS 107 Ca -0.00 -0.40 -0.01 0.00 -0.85 0.00 0.00 60.65 59.39 1yav h LYS 107 Cb 0.52 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 1yav h LYS 107 CO 0.03 1.02 -0.08 0.78 -3.45 0.00 0.00 179.45 177.75 1yav h GLY 108 N 0.13 -0.22 -0.34 5.01 0.00 -0.95 -2.56 103.07 104.14 1yav h GLY 108 Ca -0.02 0.08 0.13 0.00 0.00 0.00 0.00 47.33 47.52 1yav h GLY 108 CO 0.09 -0.08 -0.19 -2.75 0.00 0.00 0.00 176.54 173.61 1yav h PHE 109 N -0.39 -0.45 -0.91 5.60 -0.00 0.67 0.22 116.94 121.68 1yav h PHE 109 Ca -0.02 0.06 0.06 0.00 -0.00 0.00 0.00 57.97 58.07 1yav h PHE 109 Cb 0.31 0.30 -0.06 0.00 -0.00 0.00 0.00 35.95 36.49 1yav h PHE 109 CO -0.01 -0.30 0.58 0.78 -0.00 0.00 0.00 178.31 179.35 1yav h GLY 110 N -0.03 1.37 2.00 2.40 0.00 -1.32 -2.83 103.07 104.66 1yav h GLY 110 Ca 0.30 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 47.11 1yav h GLY 110 CO -0.68 0.31 -0.47 -0.33 0.00 0.00 0.00 176.54 175.37 1yav h MET 111 N 1.07 0.00 -0.00 4.80 2.86 -0.20 -3.15 114.93 120.30 1yav h MET 111 Ca 0.39 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 1yav h MET 111 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1yav h MET 111 CO -0.16 0.47 -0.12 1.33 1.06 0.00 0.00 176.91 179.48 1yav n VAL 112 N -3.52 0.00 -0.29 -2.22 0.24 -0.40 -3.19 118.33 108.95 1yav n VAL 112 Ca -0.00 -0.05 -0.02 0.00 -2.04 0.00 0.00 64.34 62.23 1yav n VAL 112 Cb 0.58 -0.12 0.10 0.00 -1.47 0.00 0.00 33.84 32.94 1yav n VAL 112 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1yav h ILE 113 N 0.47 1.12 -0.20 1.34 2.04 -1.50 -2.74 117.51 118.04 1yav h ILE 113 Ca 0.00 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1yav h ILE 113 Cb 0.37 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1yav h ILE 113 CO 0.00 0.18 0.00 0.59 0.00 0.00 0.00 178.15 178.92 1yav n ASN 114 N -4.59 2.84 -3.88 1.72 3.02 -1.24 -4.96 115.26 108.18 1yav n ASN 114 Ca 0.10 -1.84 -0.18 0.00 -0.03 0.00 0.00 54.58 52.63 1yav n ASN 114 Cb 0.09 -0.12 -0.16 0.00 -0.61 0.00 0.00 39.78 38.98 1yav n ASN 114 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1yav s ASN 115 N -1.35 0.70 0.27 6.41 -0.87 -1.03 -5.01 114.94 114.05 1yav s ASN 115 Ca 0.27 -0.09 0.01 0.00 -1.57 0.00 0.00 52.86 51.48 1yav s ASN 115 Cb 0.17 -0.32 0.62 0.00 -0.02 0.00 0.00 41.25 41.70 1yav s ASN 115 CO 0.24 -0.05 1.73 1.23 -2.57 0.00 0.00 177.10 177.67 1yav h GLY 116 N 7.03 1.43 -3.45 0.66 0.00 -1.91 -3.40 103.07 103.43 1yav h GLY 116 Ca -0.39 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 46.68 1yav h GLY 116 CO 0.48 -0.15 -0.03 -0.11 0.00 0.00 0.00 176.54 176.72 1yav s PHE 117 N -5.93 -0.31 -0.08 5.60 -0.12 -1.26 -1.52 117.98 114.35 1yav s PHE 117 Ca -0.12 0.19 0.04 0.00 -0.05 0.00 0.00 56.93 56.99 1yav s PHE 117 Cb 0.23 0.29 0.00 0.00 -0.63 0.00 0.00 43.02 42.91 1yav s PHE 117 CO 0.78 -0.65 -0.21 0.08 -0.05 0.00 0.00 175.22 175.16 1yav s VAL 118 N -2.98 1.82 0.45 -2.49 1.01 0.16 -4.91 120.40 113.46 1yav s VAL 118 Ca -0.02 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 60.82 1yav s VAL 118 Cb 0.00 -1.58 -0.07 0.00 0.00 0.00 0.00 36.38 34.73 1yav s VAL 118 CO -0.06 0.51 1.25 0.00 0.00 0.00 0.00 175.10 176.80 1yav s VAL 120 N -1.39 2.43 0.16 0.00 1.01 0.36 -1.08 120.40 121.90 1yav s VAL 120 Ca 0.62 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1yav s VAL 120 Cb -0.34 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 1yav s VAL 120 CO 0.42 0.56 -0.09 -1.83 0.00 0.00 0.00 175.10 174.17 1yav s GLU 121 N -0.13 1.11 0.00 2.72 -1.05 -0.34 -0.71 118.70 120.30 1yav s GLU 121 Ca -0.03 -1.49 0.00 0.00 -0.15 0.00 0.00 54.97 53.29 1yav s GLU 121 Cb -0.14 -0.63 0.00 0.00 -0.44 0.00 0.00 34.13 32.93 1yav s GLU 121 CO 0.04 0.05 0.00 -1.71 0.95 0.00 0.00 175.26 174.59 1yav n ASN 122 N -0.24 0.00 0.23 0.83 5.15 0.23 -2.55 115.26 118.91 1yav n ASN 122 Ca -0.09 -0.83 0.08 0.00 -0.60 0.00 0.00 54.58 53.14 1yav n ASN 122 Cb 0.61 0.00 0.58 0.00 -0.53 0.00 0.00 39.78 40.44 1yav n ASN 122 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 1yav h ASP 123 N 0.00 0.00 -0.67 1.20 3.58 -2.00 -2.79 116.42 115.74 1yav h ASP 123 Ca 0.00 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.15 1yav h ASP 123 Cb 0.00 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 40.87 1yav h ASP 123 CO 0.00 0.19 0.28 -0.62 -2.88 0.00 0.00 179.24 176.21 1yav n GLU 124 N -3.90 2.48 -1.58 0.28 -0.58 -1.26 -4.89 120.64 111.18 1yav n GLU 124 Ca -0.02 -3.07 -0.13 0.00 -0.42 0.00 0.00 57.16 53.51 1yav n GLU 124 Cb 0.28 -2.04 -0.05 0.00 -0.57 0.00 0.00 31.44 29.07 1yav n GLU 124 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1yav n GLN 125 N -0.88 -0.95 -2.50 3.49 6.02 -1.05 -4.91 117.38 116.59 1yav n GLN 125 Ca 0.44 0.89 -0.42 0.00 -0.01 0.00 0.00 57.00 57.90 1yav n GLN 125 Cb 1.34 -4.99 -0.03 0.00 1.02 0.00 0.00 30.24 27.58 1yav n GLN 125 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1yav s VAL 126 N -2.53 4.34 0.02 5.09 1.01 -1.26 -0.19 120.40 126.89 1yav s VAL 126 Ca 0.00 1.66 -0.30 0.00 0.00 0.00 0.00 61.98 63.34 1yav s VAL 126 Cb 0.00 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 1yav s VAL 126 CO 0.00 0.03 1.78 0.12 0.00 0.00 0.00 175.10 177.03 1yav s PHE 127 N 1.94 1.84 -0.13 5.22 5.36 -0.43 0.74 117.98 132.53 1yav s PHE 127 Ca 0.55 -0.04 0.11 0.00 -0.96 0.00 0.00 56.93 56.59 1yav s PHE 127 Cb -0.24 -4.07 -0.16 0.00 -0.34 0.00 0.00 43.02 38.21 1yav s PHE 127 CO 0.23 -4.58 0.04 0.39 -1.46 0.00 0.00 175.22 169.83 1yav n GLU 128 N 6.79 1.90 -3.91 10.12 -0.58 0.12 -4.86 120.64 130.22 1yav n GLU 128 Ca 0.18 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 1yav n GLU 128 Cb 0.41 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 1yav n GLU 128 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yav n GLY 129 N 2.22 -1.03 3.27 0.62 0.00 -0.95 0.10 105.19 109.42 1yav n GLY 129 Ca -0.21 -1.14 -0.25 0.00 0.00 0.00 0.00 46.02 44.42 1yav n GLY 129 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1yav s ILE 130 N -3.00 1.70 -0.30 -0.61 -4.36 -0.90 0.13 121.20 113.86 1yav s ILE 130 Ca 0.00 -1.35 -0.05 0.00 -0.26 0.00 0.00 60.65 58.98 1yav s ILE 130 Cb 0.00 -1.50 0.02 0.00 1.25 0.00 0.00 42.46 42.23 1yav s ILE 130 CO 0.00 0.09 0.05 0.12 0.24 0.00 0.00 174.94 175.44 1yav s PHE 131 N -0.96 3.17 0.29 1.37 5.36 0.17 -1.04 117.98 126.34 1yav s PHE 131 Ca 0.07 -1.30 0.05 0.00 -0.96 0.00 0.00 56.93 54.79 1yav s PHE 131 Cb -0.09 -2.21 -0.02 0.00 -0.34 0.00 0.00 43.02 40.36 1yav s PHE 131 CO 0.03 -0.67 0.42 0.95 -1.46 0.00 0.00 175.22 174.49 1yav s THR 132 N 1.41 4.71 0.22 0.12 -4.23 -1.26 0.41 115.64 117.02 1yav s THR 132 Ca 0.00 -0.96 -0.06 0.00 -1.18 0.00 0.00 61.69 59.49 1yav s THR 132 Cb -0.18 -3.66 0.08 0.00 1.34 0.00 0.00 72.50 70.09 1yav s THR 132 CO 0.01 -0.26 1.69 0.03 -0.54 0.00 0.00 174.62 175.54 1yav h ARG 133 N 1.02 0.93 -0.82 3.99 3.08 -1.52 -3.02 114.38 118.03 1yav h ARG 133 Ca -0.49 -0.29 0.05 0.00 0.07 0.00 0.00 59.98 59.32 1yav h ARG 133 Cb 1.24 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 31.15 1yav h ARG 133 CO 0.57 0.94 0.51 -0.09 -1.07 0.00 0.00 179.97 180.83 1yav h ARG 134 N 0.85 0.93 -0.50 0.04 2.43 -1.96 0.15 114.38 116.33 1yav h ARG 134 Ca 0.15 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.16 1yav h ARG 134 Cb 0.54 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1yav h ARG 134 CO 0.03 0.62 -0.12 -0.39 -1.51 0.00 0.00 179.97 178.60 1yav h VAL 135 N 0.96 1.27 -0.41 0.20 -1.51 -1.89 0.36 116.25 115.23 1yav h VAL 135 Ca 0.35 -1.24 -0.06 0.00 -1.23 0.00 0.00 66.70 64.51 1yav h VAL 135 Cb 0.10 1.00 -0.02 0.00 -2.13 0.00 0.00 31.29 30.25 1yav h VAL 135 CO -0.15 0.43 0.03 0.58 -1.23 0.00 0.00 177.57 177.23 1yav h VAL 136 N 0.83 1.25 -0.31 7.19 2.07 -1.25 -2.11 116.25 123.92 1yav h VAL 136 Ca 0.13 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1yav h VAL 136 Cb 0.65 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1yav h VAL 136 CO 0.05 0.33 0.12 -0.07 0.02 0.00 0.00 177.57 178.02 1yav h LEU 137 N 0.55 0.42 -0.07 2.57 3.38 -0.48 0.56 115.31 122.24 1yav h LEU 137 Ca 0.12 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1yav h LEU 137 Cb 0.44 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1yav h LEU 137 CO 0.02 0.47 -0.13 0.11 0.09 0.00 0.00 178.44 179.00 1yav h LYS 138 N 0.35 -0.18 -0.64 1.13 1.57 -0.85 0.75 116.57 118.70 1yav h LYS 138 Ca 0.10 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1yav h LYS 138 Cb 0.18 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1yav h LYS 138 CO -0.01 -0.12 0.38 1.49 -0.57 0.00 0.00 179.45 180.62 1yav h GLU 139 N -0.19 0.88 -0.70 3.15 4.57 -1.24 -2.27 114.58 118.79 1yav h GLU 139 Ca 0.07 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1yav h GLU 139 Cb 0.28 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 1yav h GLU 139 CO -0.18 0.64 0.42 -0.07 -1.18 0.00 0.00 179.01 178.63 1yav h LEU 140 N 0.87 0.84 -0.58 1.64 -0.00 -0.46 -2.24 115.31 115.38 1yav h LEU 140 Ca 0.23 -0.07 0.02 0.00 -0.00 0.00 0.00 57.88 58.06 1yav h LEU 140 Cb -0.01 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 40.41 1yav h LEU 140 CO -0.04 0.66 0.37 0.78 -0.00 0.00 0.00 178.44 180.20 1yav h ASN 141 N 0.95 0.62 -0.96 -0.43 2.35 -0.47 -1.36 115.58 116.28 1yav h ASN 141 Ca 0.25 -0.01 0.03 0.00 -0.55 0.00 0.00 56.30 56.02 1yav h ASN 141 Cb -0.02 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.15 1yav h ASN 141 CO -0.05 0.44 0.63 0.11 -1.65 0.00 0.00 177.43 176.91 1yav h LYS 142 N 0.74 1.20 -0.65 0.81 1.57 -1.11 0.64 116.57 119.76 1yav h LYS 142 Ca 0.22 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1yav h LYS 142 Cb -0.03 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 31.98 1yav h LYS 142 CO -0.08 0.79 0.14 0.45 -0.57 0.00 0.00 179.45 180.19 1yav h HIS 143 N 1.23 1.07 -0.10 -1.35 3.86 -0.75 -1.11 115.15 118.00 1yav h HIS 143 Ca 0.37 -0.12 -0.16 0.00 -1.16 0.00 0.00 60.37 59.30 1yav h HIS 143 Cb -0.04 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.11 1yav h HIS 143 CO -0.01 0.89 -0.63 0.82 0.86 0.00 0.00 177.93 179.86 1yav h ILE 144 N 0.97 1.37 -0.09 2.45 2.04 -0.66 -2.24 117.51 121.35 1yav h ILE 144 Ca 0.20 -1.99 -0.01 0.00 1.00 0.00 0.00 64.86 64.07 1yav h ILE 144 Cb 0.36 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 1yav h ILE 144 CO 0.00 0.60 0.01 -0.09 0.00 0.00 0.00 178.15 178.66 1yav h ARG 145 N 0.26 0.12 0.00 2.37 1.12 -0.43 -0.72 114.38 117.10 1yav h ARG 145 Ca -0.01 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.82 1yav h ARG 145 Cb 1.16 -0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 31.09 1yav h ARG 145 CO 0.10 0.13 -0.15 1.03 -3.11 0.00 0.00 179.97 177.97 1yav h SER 146 N 0.12 0.00 -0.03 -3.80 0.87 -0.58 -3.51 113.55 106.62 1yav h SER 146 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1yav h SER 146 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1yav h SER 146 CO 0.00 0.15 0.00 0.18 -0.53 0.00 0.00 176.83 176.63