#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yav n LEU 12 N 0.00 0.00 0.02 2.23 4.32 -1.26 -1.87 117.00 120.44 1yav n LEU 12 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 56.01 56.10 1yav n LEU 12 Cb 0.00 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 41.83 1yav n LEU 12 CO 0.00 0.00 0.03 1.21 -1.22 0.00 0.00 177.39 177.41 1yav n GLU 13 N -0.99 0.23 -1.22 3.23 2.13 -1.26 -4.60 120.64 118.16 1yav n GLU 13 Ca 0.18 -0.01 -0.31 0.00 0.66 0.00 0.00 57.16 57.69 1yav n GLU 13 Cb 0.08 -1.57 0.10 0.00 0.27 0.00 0.00 31.44 30.33 1yav n GLU 13 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1yav s ALA 14 N -3.16 2.11 0.41 4.31 0.00 -0.78 -4.85 121.76 119.79 1yav s ALA 14 Ca 0.05 0.24 0.08 0.00 0.00 0.00 0.00 51.96 52.32 1yav s ALA 14 Cb 0.15 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 1yav s ALA 14 CO 0.80 -1.91 0.36 0.95 0.00 0.00 0.00 175.76 175.96 1yav s THR 15 N -2.89 2.75 0.12 0.00 -4.23 -1.26 -0.45 115.64 109.68 1yav s THR 15 Ca 0.62 -1.36 -0.19 0.00 -1.18 0.00 0.00 61.69 59.58 1yav s THR 15 Cb -0.18 -3.02 -0.05 0.00 1.34 0.00 0.00 72.50 70.59 1yav s THR 15 CO 0.56 -0.02 1.70 0.58 -0.54 0.00 0.00 174.62 176.90 1yav h VAL 16 N 1.07 1.14 -0.60 2.29 2.07 -1.19 -2.88 116.25 118.15 1yav h VAL 16 Ca -0.42 -0.37 0.17 0.00 0.82 0.00 0.00 66.70 66.90 1yav h VAL 16 Cb 1.26 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1yav h VAL 16 CO 0.58 0.14 0.52 1.23 0.02 0.00 0.00 177.57 180.05 1yav h GLY 17 N 0.31 0.00 2.00 2.17 0.00 -1.08 -1.26 103.07 105.21 1yav h GLY 17 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 1yav h GLY 17 CO -0.01 0.00 -0.28 1.46 0.00 0.00 0.00 176.54 177.71 1yav h GLN 18 N 0.00 0.00 -0.00 4.80 4.20 -1.76 -3.32 115.11 119.03 1yav h GLN 18 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1yav h GLN 18 Cb 1.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.10 1yav h GLN 18 CO -0.00 0.28 -0.00 1.19 -0.67 0.00 0.00 178.83 179.62 1yav n PHE 19 N -3.26 0.00 -2.08 2.96 3.72 -0.56 -5.04 117.46 113.19 1yav n PHE 19 Ca 0.02 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.10 1yav n PHE 19 Cb 0.56 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 1yav n PHE 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1yav s MET 20 N -0.34 3.52 -0.16 -1.08 0.23 -0.67 -4.84 119.30 115.96 1yav s MET 20 Ca 0.04 1.03 -0.27 0.00 -1.03 0.00 0.00 55.69 55.46 1yav s MET 20 Cb 0.03 -2.07 -0.01 0.00 -1.53 0.00 0.00 34.83 31.25 1yav s MET 20 CO 0.05 -0.63 0.91 0.42 -2.03 0.00 0.00 175.02 173.74 1yav s ILE 21 N -2.68 4.82 0.34 3.16 1.01 0.11 -4.86 121.20 123.09 1yav s ILE 21 Ca 0.60 1.80 -0.27 0.00 0.00 0.00 0.00 60.65 62.78 1yav s ILE 21 Cb -0.13 -4.21 -0.13 0.00 0.01 0.00 0.00 42.46 38.00 1yav s ILE 21 CO 0.39 -0.01 1.12 -0.62 0.00 0.00 0.00 174.94 175.82 1yav n GLU 22 N 5.35 1.66 -0.15 2.79 -0.58 -1.26 -1.26 120.64 127.20 1yav n GLU 22 Ca 0.07 0.58 0.07 0.00 -0.42 0.00 0.00 57.16 57.47 1yav n GLU 22 Cb 0.48 -2.08 0.39 0.00 -0.57 0.00 0.00 31.44 29.67 1yav n GLU 22 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1yav h ALA 23 N 2.12 1.77 0.00 0.62 0.00 -1.58 -1.47 119.26 120.72 1yav h ALA 23 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1yav h ALA 23 Cb 1.32 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1yav h ALA 23 CO 0.61 0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.58 1yav n ASP 24 N -4.48 0.00 -0.80 0.00 5.75 -1.26 -1.10 116.55 114.66 1yav n ASP 24 Ca 0.10 0.46 0.09 0.00 -0.01 0.00 0.00 54.79 55.42 1yav n ASP 24 Cb 0.24 -0.47 0.13 0.00 -1.03 0.00 0.00 41.12 39.99 1yav n ASP 24 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1yav n LYS 25 N -1.47 1.87 -4.46 0.11 5.02 -0.55 -4.96 118.16 113.72 1yav n LYS 25 Ca 0.02 -1.81 -0.34 0.00 -2.02 0.00 0.00 58.31 54.16 1yav n LYS 25 Cb 0.09 -1.36 -0.11 0.00 -0.02 0.00 0.00 35.03 33.63 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 -1.32 4.04 0.58 -0.18 1.01 -0.25 -5.03 120.40 119.26 1yav s VAL 26 Ca 0.26 -0.34 -0.16 0.00 0.00 0.00 0.00 61.98 61.73 1yav s VAL 26 Cb 0.16 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1yav s VAL 26 CO 0.23 0.58 1.05 0.00 0.00 0.00 0.00 175.10 176.97 1yav s ALA 27 N -0.62 2.76 0.22 5.51 0.00 -1.26 -5.00 121.76 123.36 1yav s ALA 27 Ca 0.10 0.41 -0.22 0.00 0.00 0.00 0.00 51.96 52.24 1yav s ALA 27 Cb -0.12 -3.23 0.05 0.00 0.00 0.00 0.00 23.12 19.83 1yav s ALA 27 CO 0.02 -0.76 0.89 -3.38 0.00 0.00 0.00 175.76 172.53 1yav s HIS 28 N -2.42 -0.08 0.35 0.00 -3.43 -1.26 -4.20 115.29 104.25 1yav s HIS 28 Ca 0.64 -0.34 0.04 0.00 -0.80 0.00 0.00 55.06 54.60 1yav s HIS 28 Cb -0.16 0.70 -0.02 0.00 -1.43 0.00 0.00 32.58 31.67 1yav s HIS 28 CO 0.35 -1.05 0.15 1.33 -2.00 0.00 0.00 174.74 173.52 1yav n VAL 29 N -0.51 0.00 -4.24 -5.38 0.24 -0.99 -5.02 118.33 102.43 1yav n VAL 29 Ca -0.05 -2.11 -0.16 0.00 -2.04 0.00 0.00 64.34 59.98 1yav n VAL 29 Cb 0.60 0.81 -0.10 0.00 -1.47 0.00 0.00 33.84 33.68 1yav n VAL 29 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1yav s GLN 30 N -3.34 1.04 0.25 7.34 -0.21 -1.26 -1.14 119.66 122.34 1yav s GLN 30 Ca 0.22 -1.35 -0.30 0.00 0.02 0.00 0.00 55.36 53.94 1yav s GLN 30 Cb 0.01 -0.73 -0.14 0.00 1.00 0.00 0.00 33.01 33.15 1yav s GLN 30 CO 0.15 0.11 1.15 0.28 -2.12 0.00 0.00 175.29 174.87 1yav n VAL 31 N 0.12 1.46 0.00 1.09 0.31 -0.37 -1.72 118.33 119.21 1yav n VAL 31 Ca -0.12 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 1yav n VAL 31 Cb 0.59 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 1yav n VAL 31 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1yav n GLY 32 N 1.61 2.95 3.75 2.92 0.00 -1.26 -5.02 105.19 110.15 1yav n GLY 32 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 0.29 5.10 0.63 1.61 0.02 -0.70 -4.82 114.94 117.07 1yav s ASN 33 Ca 0.00 2.41 -0.01 0.00 -1.02 0.00 0.00 52.86 54.24 1yav s ASN 33 Cb 0.00 -2.60 0.07 0.00 0.02 0.00 0.00 41.25 38.74 1yav s ASN 33 CO 0.00 -1.66 0.88 0.54 0.02 0.00 0.00 177.10 176.89 1yav s ASN 34 N -1.59 4.91 0.50 -1.22 2.20 -1.26 -0.91 114.94 117.57 1yav s ASN 34 Ca 0.78 -0.02 0.22 0.00 -0.94 0.00 0.00 52.86 52.90 1yav s ASN 34 Cb -0.31 -0.67 1.30 0.00 -2.00 0.00 0.00 41.25 39.57 1yav s ASN 34 CO 0.34 -1.44 2.06 -0.07 -2.94 0.00 0.00 177.10 175.05 1yav h LEU 35 N -0.23 0.00 -0.21 3.54 3.38 0.09 -2.45 115.31 119.43 1yav h LEU 35 Ca -0.41 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1yav h LEU 35 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1yav h LEU 35 CO 0.50 0.14 0.10 -0.08 0.09 0.00 0.00 178.44 179.18 1yav h GLU 36 N 0.00 0.31 -0.29 1.13 4.81 -1.33 0.11 114.58 119.31 1yav h GLU 36 Ca -0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1yav h GLU 36 Cb 0.30 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1yav h GLU 36 CO 0.02 0.34 0.19 1.25 -0.73 0.00 0.00 179.01 180.08 1yav h HIS 37 N 0.20 0.37 -0.43 0.92 2.76 -1.75 -0.84 115.15 116.38 1yav h HIS 37 Ca 0.07 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 1yav h HIS 37 Cb 0.14 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 28.96 1yav h HIS 37 CO -0.02 0.25 0.24 0.00 -1.30 0.00 0.00 177.93 177.10 1yav h ALA 38 N 1.09 0.55 -0.50 5.26 0.00 -1.19 -1.08 119.26 123.39 1yav h ALA 38 Ca 0.11 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1yav h ALA 38 Cb -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1yav h ALA 38 CO -0.02 0.07 0.16 1.25 0.00 0.00 0.00 179.25 180.71 1yav h LEU 39 N 0.56 0.68 -0.03 0.00 5.85 -0.63 0.10 115.31 121.83 1yav h LEU 39 Ca 0.15 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1yav h LEU 39 Cb 0.05 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 1yav h LEU 39 CO -0.02 0.64 0.01 0.25 -0.34 0.00 0.00 178.44 178.98 1yav h LEU 40 N 0.73 0.05 -0.33 2.25 5.85 -0.63 0.12 115.31 123.35 1yav h LEU 40 Ca 0.17 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1yav h LEU 40 Cb 0.20 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1yav h LEU 40 CO -0.01 0.27 0.15 0.58 -0.34 0.00 0.00 178.44 179.10 1yav h VAL 41 N -0.17 1.17 -0.48 1.05 2.07 -0.88 0.01 116.25 119.03 1yav h VAL 41 Ca 0.01 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1yav h VAL 41 Cb 0.24 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1yav h VAL 41 CO 0.00 0.18 0.29 -0.07 0.02 0.00 0.00 177.57 177.99 1yav h LEU 42 N 0.40 0.57 -0.43 2.57 3.38 -0.76 -0.55 115.31 120.49 1yav h LEU 42 Ca 0.11 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1yav h LEU 42 Cb 0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1yav h LEU 42 CO -0.01 0.45 -0.06 0.74 0.09 0.00 0.00 178.44 179.65 1yav h THR 43 N 0.64 1.27 -0.16 0.22 2.02 -0.78 -0.45 112.91 115.66 1yav h THR 43 Ca 0.17 -1.13 -0.20 0.00 0.77 0.00 0.00 66.41 66.02 1yav h THR 43 Cb -0.02 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1yav h THR 43 CO -0.03 0.39 -0.69 0.11 0.37 0.00 0.00 175.52 175.66 1yav h LYS 44 N 0.62 0.67 0.00 6.66 1.57 -0.91 -3.31 116.57 121.88 1yav h LYS 44 Ca 0.11 -0.50 -0.13 0.00 -1.87 0.00 0.00 60.65 58.26 1yav h LYS 44 Cb 0.57 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1yav h LYS 44 CO 0.03 1.12 -0.91 1.79 -0.57 0.00 0.00 179.45 180.92 1yav h THR 45 N 0.48 0.70 0.00 -0.16 1.35 -1.12 -3.48 112.91 110.68 1yav h THR 45 Ca -0.03 -2.11 0.00 0.00 -0.55 0.00 0.00 66.41 63.72 1yav h THR 45 Cb 1.29 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 69.95 1yav h THR 45 CO 0.14 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 1yav n GLY 46 N 1.30 0.66 3.81 5.82 0.00 -0.18 -5.06 105.19 111.53 1yav n GLY 46 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.63 3.09 -0.12 1.61 2.02 -1.20 -4.96 117.35 115.17 1yav s TYR 47 Ca 0.00 1.54 0.17 0.00 -0.37 0.00 0.00 57.07 58.41 1yav s TYR 47 Cb 0.00 -2.99 -0.14 0.00 -0.40 0.00 0.00 41.96 38.43 1yav s TYR 47 CO 0.00 -0.78 0.80 0.25 -1.57 0.00 0.00 175.55 174.25 1yav n THR 48 N -1.35 1.18 -3.60 -0.71 -2.24 -1.26 -4.71 114.28 101.59 1yav n THR 48 Ca 0.08 -0.69 -0.15 0.00 -2.27 0.00 0.00 64.05 61.03 1yav n THR 48 Cb 0.53 -0.73 -0.06 0.00 -2.10 0.00 0.00 70.33 67.97 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 -2.92 -1.31 -0.01 6.98 0.00 -1.26 -1.80 121.76 121.44 1yav s ALA 49 Ca -0.03 0.67 -0.10 0.00 0.00 0.00 0.00 51.96 52.50 1yav s ALA 49 Cb 0.09 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.47 1yav s ALA 49 CO 0.81 -0.44 0.21 0.96 0.00 0.00 0.00 175.76 177.30 1yav s ILE 50 N -2.04 0.07 0.64 0.00 -4.36 -0.02 -4.96 121.20 110.54 1yav s ILE 50 Ca -0.08 -0.58 -0.17 0.00 -0.26 0.00 0.00 60.65 59.56 1yav s ILE 50 Cb -0.01 -0.50 -0.01 0.00 1.25 0.00 0.00 42.46 43.19 1yav s ILE 50 CO 0.01 -0.32 1.17 -2.16 0.24 0.00 0.00 174.94 173.88 1yav s PRO 51 N -1.31 2.78 -0.26 0.37 0.04 -1.26 -1.43 135.00 133.94 1yav s PRO 51 Ca -0.14 1.66 -0.05 0.00 0.04 0.00 0.00 61.00 62.51 1yav s PRO 51 Cb -0.06 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.55 1yav s PRO 51 CO 0.03 -1.31 0.03 0.08 0.04 0.00 0.00 177.00 175.86 1yav s VAL 52 N -1.92 3.72 0.27 -0.36 1.01 0.15 -2.33 120.40 120.94 1yav s VAL 52 Ca 0.73 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1yav s VAL 52 Cb -0.26 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.30 1yav s VAL 52 CO 0.37 0.24 0.09 0.18 0.00 0.00 0.00 175.10 175.98 1yav n LEU 53 N 4.83 0.00 -4.50 3.92 4.77 -0.29 -0.42 117.00 125.31 1yav n LEU 53 Ca -0.16 -1.57 -0.25 0.00 -0.03 0.00 0.00 56.01 54.01 1yav n LEU 53 Cb 0.49 0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.59 1yav n LEU 53 CO 0.30 -0.31 -0.21 1.51 -1.33 0.00 0.00 177.39 177.35 1yav s ASP 54 N -2.52 2.69 0.65 -1.43 1.47 -1.08 -1.24 116.67 115.20 1yav s ASP 54 Ca 0.07 -1.61 0.39 0.00 1.18 0.00 0.00 52.55 52.58 1yav s ASP 54 Cb -0.01 0.38 2.20 0.00 -0.34 0.00 0.00 42.92 45.15 1yav s ASP 54 CO 0.04 -0.86 2.30 -0.65 0.68 0.00 0.00 175.17 176.68 1yav h PRO 55 N 1.86 0.00 -0.16 2.11 0.11 -1.96 0.79 132.00 134.75 1yav h PRO 55 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1yav h PRO 55 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1yav h PRO 55 CO 0.60 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.82 1yav n SER 56 N -3.28 1.57 -1.37 -2.05 7.64 -1.26 -4.91 113.62 109.96 1yav n SER 56 Ca -0.03 -1.70 -0.12 0.00 1.01 0.00 0.00 58.87 58.03 1yav n SER 56 Cb 0.11 -0.10 -0.01 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.26 -0.56 -3.27 1.43 9.36 0.27 -4.93 117.16 119.72 1yav n TYR 57 Ca 0.16 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 61.03 1yav n TYR 57 Cb 0.31 -2.72 -0.06 0.00 -0.63 0.00 0.00 39.34 36.25 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 -4.57 4.05 -0.27 2.98 1.81 -1.26 -1.32 118.95 120.37 1yav s ARG 58 Ca 0.00 0.60 -0.19 0.00 -1.72 0.00 0.00 55.73 54.42 1yav s ARG 58 Cb 0.00 -2.87 -0.02 0.00 -0.45 0.00 0.00 34.95 31.61 1yav s ARG 58 CO 0.00 0.43 0.56 -1.17 -0.68 0.00 0.00 175.30 174.44 1yav s LEU 59 N -2.07 4.08 -0.02 2.53 2.96 -1.26 -2.62 118.68 122.28 1yav s LEU 59 Ca 0.41 0.52 0.18 0.00 -0.22 0.00 0.00 54.13 55.02 1yav s LEU 59 Cb -0.15 -2.73 -0.28 0.00 0.50 0.00 0.00 46.19 43.53 1yav s LEU 59 CO 0.20 -0.34 0.40 1.41 -1.32 0.00 0.00 176.35 176.69 1yav n HIS 60 N 5.64 0.00 -3.77 5.38 8.25 0.45 -5.01 115.22 126.16 1yav n HIS 60 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1yav n HIS 60 Cb 0.49 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.19 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 1.48 -1.15 3.07 -1.41 0.00 -1.18 -4.62 105.19 101.37 1yav n GLY 61 Ca -0.03 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.66 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 1.88 -0.07 0.99 1.43 -0.51 0.32 118.68 122.72 1yav s LEU 62 Ca 0.00 -0.26 0.05 0.00 -1.03 0.00 0.00 54.13 52.89 1yav s LEU 62 Cb 0.00 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.48 1yav s LEU 62 CO 0.00 0.12 -0.24 -0.51 0.23 0.00 0.00 176.35 175.95 1yav s ILE 63 N 0.04 2.02 0.21 -0.59 1.10 -0.51 -0.57 121.20 122.90 1yav s ILE 63 Ca -0.02 -1.03 0.07 0.00 -0.51 0.00 0.00 60.65 59.17 1yav s ILE 63 Cb -0.09 -1.72 -0.05 0.00 0.15 0.00 0.00 42.46 40.75 1yav s ILE 63 CO 0.01 0.56 -0.13 -0.83 -2.11 0.00 0.00 174.94 172.44 1yav s GLY 64 N 0.02 1.48 0.29 1.50 0.00 -1.26 -0.84 107.32 108.50 1yav s GLY 64 Ca -0.09 -1.69 -0.02 0.00 0.00 0.00 0.00 44.72 42.93 1yav s GLY 64 CO 0.05 -1.76 1.92 -0.84 0.00 0.00 0.00 173.10 172.47 1yav h THR 65 N 2.52 1.14 -0.57 0.90 2.02 -1.68 -1.61 112.91 115.63 1yav h THR 65 Ca -0.38 -0.39 -0.09 0.00 0.77 0.00 0.00 66.41 66.32 1yav h THR 65 Cb 1.22 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1yav h THR 65 CO 0.63 0.21 0.02 0.78 0.37 0.00 0.00 175.52 177.52 1yav h ASN 66 N 1.13 0.94 -0.52 4.18 4.21 -1.97 -0.31 115.58 123.25 1yav h ASN 66 Ca 0.37 -0.25 -0.00 0.00 1.21 0.00 0.00 56.30 57.63 1yav h ASN 66 Cb 0.06 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 36.98 1yav h ASN 66 CO -0.12 0.99 0.31 0.24 -1.29 0.00 0.00 177.43 177.56 1yav h MET 67 N 0.90 0.72 -0.10 0.81 2.86 -1.72 -1.38 114.93 117.02 1yav h MET 67 Ca 0.17 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1yav h MET 67 Cb 0.50 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 1yav h MET 67 CO 0.02 0.53 0.04 0.82 1.06 0.00 0.00 176.91 179.38 1yav h ILE 68 N 0.70 1.13 -0.67 -1.22 2.04 -0.92 -2.34 117.51 116.24 1yav h ILE 68 Ca 0.19 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.68 1yav h ILE 68 Cb 0.00 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1yav h ILE 68 CO -0.03 0.11 0.44 0.24 0.00 0.00 0.00 178.15 178.91 1yav h MET 69 N 0.02 0.88 -0.22 2.37 2.86 -0.95 -1.73 114.93 118.15 1yav h MET 69 Ca 0.03 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1yav h MET 69 Cb 0.14 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1yav h MET 69 CO -0.00 0.58 0.15 -0.91 1.06 0.00 0.00 176.91 177.78 1yav h ASN 70 N 0.90 0.20 0.46 1.22 -0.26 -1.13 0.32 115.58 117.28 1yav h ASN 70 Ca 0.25 -0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.85 1yav h ASN 70 Cb -0.10 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.10 1yav h ASN 70 CO -0.06 0.14 -0.57 0.28 -1.06 0.00 0.00 177.43 176.17 1yav h SER 71 N 0.23 0.13 -0.01 5.81 0.02 -0.76 -3.29 113.55 115.68 1yav h SER 71 Ca 0.09 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1yav h SER 71 Cb 0.07 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1yav h SER 71 CO -0.02 0.67 -0.42 2.30 -1.14 0.00 0.00 176.83 178.22 1yav n ILE 72 N -3.88 0.00 -2.34 3.27 -5.35 -0.68 -4.86 119.36 105.52 1yav n ILE 72 Ca -0.02 -0.29 -0.36 0.00 -0.27 0.00 0.00 62.75 61.81 1yav n ILE 72 Cb 0.58 1.10 -0.04 0.00 -1.74 0.00 0.00 39.64 39.55 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 -1.92 2.17 0.91 4.28 5.36 0.10 -0.17 117.98 128.71 1yav s PHE 73 Ca 0.09 -0.09 -0.14 0.00 -0.96 0.00 0.00 56.93 55.83 1yav s PHE 73 Cb 0.11 -4.41 0.17 0.00 -0.34 0.00 0.00 43.02 38.54 1yav s PHE 73 CO 0.43 -1.93 1.26 0.20 -1.46 0.00 0.00 175.22 173.71 1yav s GLY 74 N 6.13 1.74 0.14 13.12 0.00 -0.18 -4.96 107.32 123.31 1yav s GLY 74 Ca 0.55 -1.14 -0.20 0.00 0.00 0.00 0.00 44.72 43.92 1yav s GLY 74 CO -0.01 -0.45 1.68 1.41 0.00 0.00 0.00 173.10 175.73 1yav h LEU 75 N -1.41 -0.38 0.00 0.66 3.38 -2.02 -3.32 115.31 112.22 1yav h LEU 75 Ca -0.44 0.09 -0.26 0.00 0.09 0.00 0.00 57.88 57.35 1yav h LEU 75 Cb 1.26 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 42.16 1yav h LEU 75 CO 0.44 -0.15 -2.09 -1.84 0.09 0.00 0.00 178.44 174.89 1yav n GLU 76 N -5.28 1.24 -3.94 1.13 0.28 -1.26 -5.07 120.64 107.75 1yav n GLU 76 Ca -0.02 -0.03 -0.09 0.00 -0.16 0.00 0.00 57.16 56.86 1yav n GLU 76 Cb 0.19 -1.42 -0.07 0.00 1.43 0.00 0.00 31.44 31.58 1yav n GLU 76 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 1yav s ARG 77 N -2.49 1.13 -0.40 3.44 1.70 -1.25 -5.11 118.95 115.98 1yav s ARG 77 Ca -0.08 -1.14 -0.25 0.00 -0.47 0.00 0.00 55.73 53.79 1yav s ARG 77 Cb 0.06 0.38 0.02 0.00 -0.57 0.00 0.00 34.95 34.83 1yav s ARG 77 CO 0.68 -0.41 0.89 0.42 -1.08 0.00 0.00 175.30 175.80 1yav s ILE 78 N -3.95 4.58 -1.41 4.99 1.01 -1.26 -1.01 121.20 124.15 1yav s ILE 78 Ca 0.16 0.98 -0.15 0.00 0.00 0.00 0.00 60.65 61.64 1yav s ILE 78 Cb 0.03 -4.34 0.06 0.00 0.01 0.00 0.00 42.46 38.22 1yav s ILE 78 CO -0.01 -0.61 2.10 -0.62 0.00 0.00 0.00 174.94 175.80 1yav n GLU 79 N 6.82 2.97 0.08 2.79 1.02 0.76 -4.78 120.64 130.30 1yav n GLU 79 Ca 0.06 -2.81 0.19 0.00 -0.02 0.00 0.00 57.16 54.58 1yav n GLU 79 Cb 0.48 -3.31 0.73 0.00 -0.02 0.00 0.00 31.44 29.32 1yav n GLU 79 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1yav h PHE 80 N 6.33 0.00 0.00 -0.32 -5.15 -1.92 -1.60 116.94 114.28 1yav h PHE 80 Ca 0.53 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 58.30 1yav h PHE 80 Cb 0.69 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.86 1yav h PHE 80 CO 1.44 0.00 -0.02 1.05 -2.00 0.00 0.00 178.31 178.78 1yav h GLU 81 N 0.00 0.00 0.00 6.09 9.09 -1.98 -2.25 114.58 125.53 1yav h GLU 81 Ca 0.19 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.57 1yav h GLU 81 Cb 0.86 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.96 1yav h GLU 81 CO -0.00 0.02 -0.14 0.87 0.05 0.00 0.00 179.01 179.80 1yav h LYS 82 N 0.00 0.00 -0.83 1.06 1.57 -1.70 -3.34 116.57 113.32 1yav h LYS 82 Ca -0.00 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.91 1yav h LYS 82 Cb 0.15 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.37 1yav h LYS 82 CO 0.00 0.14 0.43 -0.07 -0.57 0.00 0.00 179.45 179.39 1yav h LEU 83 N 0.00 0.54 -2.64 2.94 3.38 -1.57 0.04 115.31 118.00 1yav h LEU 83 Ca -0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1yav h LEU 83 Cb 0.93 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1yav h LEU 83 CO 0.02 0.25 0.00 -0.90 0.09 0.00 0.00 178.44 177.90 1yav n ASP 84 N -4.85 3.96 -0.11 -0.43 3.85 -1.25 -0.96 116.55 116.75 1yav n ASP 84 Ca 0.16 -2.21 -0.24 0.00 -0.71 0.00 0.00 54.79 51.80 1yav n ASP 84 Cb 0.40 -0.50 -0.08 0.00 -1.35 0.00 0.00 41.12 39.59 1yav n ASP 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1yav n GLN 85 N 1.22 0.48 -2.80 0.11 1.13 -0.28 -4.94 117.38 112.30 1yav n GLN 85 Ca 0.23 0.21 -0.40 0.00 -1.94 0.00 0.00 57.00 55.10 1yav n GLN 85 Cb 0.69 -1.31 -0.06 0.00 0.11 0.00 0.00 30.24 29.68 1yav n GLN 85 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1yav s ILE 86 N -2.43 4.18 0.32 5.09 1.01 -0.16 -4.97 121.20 124.25 1yav s ILE 86 Ca -0.32 2.00 0.02 0.00 0.00 0.00 0.00 60.65 62.35 1yav s ILE 86 Cb 0.12 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 1yav s ILE 86 CO 0.40 0.49 0.50 0.42 0.00 0.00 0.00 174.94 176.75 1yav s THR 87 N -1.06 5.07 0.30 2.92 -4.23 -1.26 -1.03 115.64 116.34 1yav s THR 87 Ca 0.40 -0.62 -0.02 0.00 -1.18 0.00 0.00 61.69 60.28 1yav s THR 87 Cb -0.25 -3.83 0.26 0.00 1.34 0.00 0.00 72.50 70.02 1yav s THR 87 CO 0.30 -0.48 1.97 -0.37 -0.54 0.00 0.00 174.62 175.50 1yav h VAL 88 N 0.85 1.20 0.00 2.29 -1.51 -1.27 -2.49 116.25 115.32 1yav h VAL 88 Ca -0.50 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 64.59 1yav h VAL 88 Cb 1.22 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.39 1yav h VAL 88 CO 0.61 0.20 0.00 1.05 -1.23 0.00 0.00 177.57 178.20 1yav h GLU 89 N 1.10 0.00 0.00 5.19 9.09 -1.91 0.31 114.58 128.35 1yav h GLU 89 Ca 0.30 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.66 1yav h GLU 89 Cb -0.11 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 26.98 1yav h GLU 89 CO -0.07 0.00 -0.27 0.93 0.05 0.00 0.00 179.01 179.65 1yav h GLU 90 N 0.00 0.00 0.00 1.06 5.08 -1.85 -3.36 114.58 115.51 1yav h GLU 90 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1yav h GLU 90 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1yav h GLU 90 CO 0.00 0.27 -1.37 0.28 -1.00 0.00 0.00 179.01 177.19 1yav n VAL 91 N -3.22 0.18 -1.35 3.13 0.31 -0.60 -5.06 118.33 111.71 1yav n VAL 91 Ca 0.02 -0.21 -0.35 0.00 -0.01 0.00 0.00 64.34 63.80 1yav n VAL 91 Cb 0.58 -0.13 0.11 0.00 -0.91 0.00 0.00 33.84 33.49 1yav n VAL 91 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yav s MET 92 N -2.36 1.97 -0.13 5.55 0.23 0.98 -4.96 119.30 120.59 1yav s MET 92 Ca -0.03 1.89 -0.28 0.00 -1.03 0.00 0.00 55.69 56.24 1yav s MET 92 Cb 0.03 -1.80 -0.01 0.00 -1.53 0.00 0.00 34.83 31.52 1yav s MET 92 CO 0.28 -1.99 0.94 -1.17 -2.03 0.00 0.00 175.02 171.05 1yav s LEU 93 N -5.19 4.22 -0.12 0.18 2.96 0.27 -4.86 118.68 116.13 1yav s LEU 93 Ca 0.77 1.39 0.18 0.00 -0.22 0.00 0.00 54.13 56.25 1yav s LEU 93 Cb -0.32 -3.43 -0.26 0.00 0.50 0.00 0.00 46.19 42.67 1yav s LEU 93 CO 0.46 -0.43 0.22 0.35 -1.32 0.00 0.00 176.35 175.64 1yav n THR 94 N 4.61 0.77 -3.00 3.68 -2.24 -1.26 -1.42 114.28 115.41 1yav n THR 94 Ca 0.07 -0.66 -0.44 0.00 -2.27 0.00 0.00 64.05 60.75 1yav n THR 94 Cb 0.49 -0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.43 1yav n THR 94 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1yav s ASP 95 N -4.91 7.02 0.07 3.42 2.15 -1.26 -4.84 116.67 118.32 1yav s ASP 95 Ca -0.08 -2.89 0.07 0.00 0.43 0.00 0.00 52.55 50.07 1yav s ASP 95 Cb 0.09 -2.37 -0.04 0.00 -0.30 0.00 0.00 42.92 40.30 1yav s ASP 95 CO 0.80 -0.74 -0.14 0.27 -0.17 0.00 0.00 175.17 175.19 1yav s ILE 96 N 1.40 3.12 0.60 4.11 -4.36 -1.26 -5.11 121.20 119.70 1yav s ILE 96 Ca 0.39 -1.22 -0.17 0.00 -0.26 0.00 0.00 60.65 59.39 1yav s ILE 96 Cb -0.04 -2.39 -0.03 0.00 1.25 0.00 0.00 42.46 41.25 1yav s ILE 96 CO -0.03 0.22 1.12 -2.16 0.24 0.00 0.00 174.94 174.34 1yav s PRO 97 N -1.84 3.06 0.04 0.37 0.04 -1.26 -5.03 135.00 130.38 1yav s PRO 97 Ca 0.18 1.51 0.01 0.00 0.04 0.00 0.00 61.00 62.74 1yav s PRO 97 Cb -0.11 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1yav s PRO 97 CO 0.09 -1.07 -0.05 1.03 0.04 0.00 0.00 177.00 177.05 1yav s ARG 98 N -3.69 0.49 0.19 4.56 0.52 -1.26 -4.04 118.95 115.72 1yav s ARG 98 Ca 0.70 -0.84 0.07 0.00 -0.52 0.00 0.00 55.73 55.14 1yav s ARG 98 Cb -0.22 -0.05 -0.05 0.00 0.52 0.00 0.00 34.95 35.15 1yav s ARG 98 CO 0.34 -0.02 -0.14 -0.51 0.02 0.00 0.00 175.30 174.99 1yav s LEU 99 N -1.91 2.54 -0.05 2.53 1.43 -0.64 -5.01 118.68 117.57 1yav s LEU 99 Ca -0.07 -1.00 -0.03 0.00 -1.03 0.00 0.00 54.13 52.00 1yav s LEU 99 Cb -0.05 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 1yav s LEU 99 CO -0.02 -0.19 0.09 -2.28 0.23 0.00 0.00 176.35 174.18 1yav s HIS 100 N -2.94 3.36 0.63 0.29 5.65 -1.26 -1.05 115.29 119.96 1yav s HIS 100 Ca 0.21 0.30 0.27 0.00 0.25 0.00 0.00 55.06 56.09 1yav s HIS 100 Cb -0.01 -1.81 1.43 0.00 -1.18 0.00 0.00 32.58 31.01 1yav s HIS 100 CO 0.06 0.59 1.83 0.97 -0.65 0.00 0.00 174.74 177.53 1yav h ILE 101 N 3.58 0.16 -0.45 0.89 2.10 -1.40 0.10 117.51 122.50 1yav h ILE 101 Ca -0.51 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.43 1yav h ILE 101 Cb 1.20 0.58 0.00 0.00 -1.09 0.00 0.00 36.82 37.50 1yav h ILE 101 CO 0.60 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 178.26 1yav n ASN 102 N -3.24 3.34 -4.76 2.19 3.02 -1.26 -0.57 115.26 113.98 1yav n ASN 102 Ca 0.04 -1.95 -0.36 0.00 -0.03 0.00 0.00 54.58 52.27 1yav n ASN 102 Cb 0.59 -0.29 0.02 0.00 -0.61 0.00 0.00 39.78 39.48 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 -1.16 5.60 0.63 6.41 1.01 0.36 -4.77 116.67 124.75 1yav s ASP 103 Ca 0.35 2.37 -0.18 0.00 0.71 0.00 0.00 52.55 55.81 1yav s ASP 103 Cb 0.20 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.50 1yav s ASP 103 CO 0.26 -1.31 1.19 -2.65 0.21 0.00 0.00 175.17 172.87 1yav n PRO 104 N -1.12 1.06 -0.20 8.23 -0.02 -1.26 -1.06 135.00 140.63 1yav n PRO 104 Ca 0.11 0.41 0.02 0.00 -2.02 0.00 0.00 63.50 62.02 1yav n PRO 104 Cb 0.49 -2.42 0.27 0.00 -0.02 0.00 0.00 33.50 31.82 1yav n PRO 104 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1yav h ILE 105 N 0.54 1.16 -0.14 4.25 6.09 -1.01 -1.94 117.51 126.47 1yav h ILE 105 Ca -0.50 -0.33 -0.01 0.00 -1.37 0.00 0.00 64.86 62.64 1yav h ILE 105 Cb 1.35 0.12 -0.01 0.00 0.47 0.00 0.00 36.82 38.75 1yav h ILE 105 CO 0.52 0.18 0.02 0.24 -3.07 0.00 0.00 178.15 176.04 1yav h MET 106 N 0.96 0.19 -0.53 2.19 2.86 -1.84 0.38 114.93 119.14 1yav h MET 106 Ca 0.28 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.82 1yav h MET 106 Cb -0.05 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1yav h MET 106 CO -0.07 0.20 0.02 -0.22 1.06 0.00 0.00 176.91 177.90 1yav h LYS 107 N 0.19 0.92 -0.57 1.72 3.64 -1.70 -1.05 116.57 119.72 1yav h LYS 107 Ca 0.05 -0.28 -0.06 0.00 -1.27 0.00 0.00 60.65 59.09 1yav h LYS 107 Cb 0.11 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1yav h LYS 107 CO -0.00 0.93 0.12 0.78 -2.27 0.00 0.00 179.45 179.01 1yav h GLY 108 N 0.79 0.99 0.76 5.01 0.00 -1.14 -2.58 103.07 106.91 1yav h GLY 108 Ca 0.15 -0.64 0.05 0.00 0.00 0.00 0.00 47.33 46.90 1yav h GLY 108 CO 0.02 0.59 0.49 -2.75 0.00 0.00 0.00 176.54 174.89 1yav h PHE 109 N 0.82 0.91 -0.52 5.60 -0.00 -0.64 -2.31 116.94 120.80 1yav h PHE 109 Ca 0.18 0.03 -0.07 0.00 -0.00 0.00 0.00 57.97 58.10 1yav h PHE 109 Cb 0.37 -0.29 -0.02 0.00 -0.00 0.00 0.00 35.95 36.01 1yav h PHE 109 CO 0.03 0.47 0.04 0.78 -0.00 0.00 0.00 178.31 179.63 1yav h GLY 110 N 0.91 0.92 2.00 2.40 0.00 -0.91 -3.10 103.07 105.29 1yav h GLY 110 Ca 0.34 -0.60 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 1yav h GLY 110 CO -0.16 0.55 -0.40 -0.33 0.00 0.00 0.00 176.54 176.20 1yav h MET 111 N 0.80 0.00 -0.01 4.80 2.86 -1.05 -3.14 114.93 119.19 1yav h MET 111 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1yav h MET 111 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1yav h MET 111 CO 0.01 0.40 0.00 1.33 1.06 0.00 0.00 176.91 179.72 1yav n VAL 112 N -3.39 0.01 -0.09 -2.22 0.24 -0.94 -2.66 118.33 109.27 1yav n VAL 112 Ca 0.01 -0.05 -0.13 0.00 -2.04 0.00 0.00 64.34 62.13 1yav n VAL 112 Cb 0.58 -0.29 -0.04 0.00 -1.47 0.00 0.00 33.84 32.62 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 0.42 1.30 -0.01 1.34 2.04 -1.62 -3.26 117.51 117.72 1yav h ILE 113 Ca 0.00 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.39 1yav h ILE 113 Cb 0.09 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1yav h ILE 113 CO 0.00 0.47 -0.45 0.59 0.00 0.00 0.00 178.15 178.76 1yav n ASN 114 N -4.26 1.86 -4.07 1.72 3.02 -1.22 -4.93 115.26 107.38 1yav n ASN 114 Ca -0.04 -1.43 -0.26 0.00 -0.03 0.00 0.00 54.58 52.83 1yav n ASN 114 Cb 0.48 0.50 -0.16 0.00 -0.61 0.00 0.00 39.78 39.98 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 -2.30 1.97 0.52 6.41 -0.87 -1.09 -5.01 114.94 114.58 1yav s ASN 115 Ca 0.16 -0.33 0.19 0.00 -1.57 0.00 0.00 52.86 51.31 1yav s ASN 115 Cb 0.16 -0.84 1.31 0.00 -0.02 0.00 0.00 41.25 41.86 1yav s ASN 115 CO 0.52 0.07 2.08 1.23 -2.57 0.00 0.00 177.10 178.44 1yav h GLY 116 N 6.79 0.03 -3.69 0.66 0.00 -1.89 -3.39 103.07 101.58 1yav h GLY 116 Ca -0.30 -0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.06 1yav h GLY 116 CO 0.47 0.01 0.37 -0.11 0.00 0.00 0.00 176.54 177.28 1yav s PHE 117 N -5.07 -0.47 -0.03 5.60 -0.12 -1.26 -2.72 117.98 113.91 1yav s PHE 117 Ca -0.05 0.56 0.03 0.00 -0.05 0.00 0.00 56.93 57.42 1yav s PHE 117 Cb 0.18 0.49 0.00 0.00 -0.63 0.00 0.00 43.02 43.06 1yav s PHE 117 CO 0.70 -0.58 -0.12 0.08 -0.05 0.00 0.00 175.22 175.25 1yav s VAL 118 N -2.31 1.03 0.31 -2.49 1.01 0.15 -4.96 120.40 113.14 1yav s VAL 118 Ca -0.01 -0.50 -0.28 0.00 0.00 0.00 0.00 61.98 61.19 1yav s VAL 118 Cb -0.01 -0.90 -0.09 0.00 0.00 0.00 0.00 36.38 35.38 1yav s VAL 118 CO -0.03 0.31 1.07 0.00 0.00 0.00 0.00 175.10 176.45 1yav s VAL 120 N -1.32 3.14 0.30 0.00 1.01 0.66 -1.62 120.40 122.57 1yav s VAL 120 Ca 0.48 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1yav s VAL 120 Cb -0.28 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1yav s VAL 120 CO 0.36 0.57 0.14 -1.83 0.00 0.00 0.00 175.10 174.34 1yav s GLU 121 N -0.47 1.58 0.00 2.72 -1.05 -0.22 -0.17 118.70 121.10 1yav s GLU 121 Ca 0.06 -1.90 0.00 0.00 -0.15 0.00 0.00 54.97 52.98 1yav s GLU 121 Cb -0.12 -0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.35 1yav s GLU 121 CO 0.02 -0.40 0.00 0.27 0.95 0.00 0.00 175.26 176.09 1yav n ASN 122 N -0.84 1.18 0.31 0.83 0.23 -0.76 -0.95 115.26 115.25 1yav n ASN 122 Ca 0.00 -0.73 0.19 0.00 -0.53 0.00 0.00 54.58 53.51 1yav n ASN 122 Cb 0.65 0.00 1.04 0.00 -2.08 0.00 0.00 39.78 39.39 1yav n ASN 122 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 1yav h ASP 123 N 0.00 0.00 -0.41 0.53 2.03 -2.00 0.29 116.42 116.86 1yav h ASP 123 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1yav h ASP 123 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1yav h ASP 123 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 179.24 177.59 1yav n GLU 124 N -3.41 3.87 -2.61 4.15 1.02 -1.26 -4.94 120.64 117.47 1yav n GLU 124 Ca -0.02 -3.00 -0.15 0.00 -0.02 0.00 0.00 57.16 53.97 1yav n GLU 124 Cb 0.14 -2.05 -0.00 0.00 -0.02 0.00 0.00 31.44 29.51 1yav n GLU 124 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yav n GLN 125 N 0.03 -2.52 -3.23 3.49 0.00 0.09 -4.96 117.38 110.28 1yav n GLN 125 Ca 0.24 0.62 -0.39 0.00 0.00 0.00 0.00 57.00 57.48 1yav n GLN 125 Cb 1.04 -5.26 -0.06 0.00 0.00 0.00 0.00 30.24 25.97 1yav n GLN 125 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1yav s VAL 126 N -2.72 4.80 -0.03 -0.39 1.01 -1.26 -4.15 120.40 117.65 1yav s VAL 126 Ca 0.08 1.25 -0.30 0.00 0.00 0.00 0.00 61.98 63.01 1yav s VAL 126 Cb -0.04 -3.92 -0.07 0.00 0.00 0.00 0.00 36.38 32.35 1yav s VAL 126 CO 0.09 0.49 1.88 0.12 0.00 0.00 0.00 175.10 177.68 1yav s PHE 127 N -0.69 1.53 -0.06 5.22 5.36 -0.44 -1.84 117.98 127.06 1yav s PHE 127 Ca 0.30 -0.10 0.15 0.00 -0.96 0.00 0.00 56.93 56.32 1yav s PHE 127 Cb -0.19 -4.10 -0.22 0.00 -0.34 0.00 0.00 43.02 38.16 1yav s PHE 127 CO 0.19 -4.74 0.25 0.39 -1.46 0.00 0.00 175.22 169.84 1yav n GLU 128 N 7.55 0.86 -3.85 10.12 -0.58 0.77 -4.85 120.64 130.66 1yav n GLU 128 Ca 0.20 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1yav n GLU 128 Cb 0.42 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 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 1.77 -1.29 3.16 0.62 0.00 -1.07 -1.46 105.19 106.92 1yav n GLY 129 Ca -0.10 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.49 1yav n GLY 129 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yav s ILE 130 N -3.00 1.60 -0.29 -0.61 -1.09 -0.39 -0.25 121.20 117.17 1yav s ILE 130 Ca 0.00 -0.80 -0.08 0.00 -2.23 0.00 0.00 60.65 57.54 1yav s ILE 130 Cb 0.00 -1.37 -0.01 0.00 -1.58 0.00 0.00 42.46 39.50 1yav s ILE 130 CO 0.00 0.46 0.10 0.12 -1.23 0.00 0.00 174.94 174.39 1yav s PHE 131 N 0.05 3.14 0.31 3.97 5.36 0.13 0.04 117.98 130.98 1yav s PHE 131 Ca -0.06 -0.71 0.09 0.00 -0.96 0.00 0.00 56.93 55.30 1yav s PHE 131 Cb -0.13 -2.28 -0.04 0.00 -0.34 0.00 0.00 43.02 40.23 1yav s PHE 131 CO 0.03 -0.48 0.06 0.95 -1.46 0.00 0.00 175.22 174.32 1yav s THR 132 N 1.57 3.11 0.28 0.12 -4.23 -1.26 0.30 115.64 115.53 1yav s THR 132 Ca 0.04 -1.83 -0.02 0.00 -1.18 0.00 0.00 61.69 58.70 1yav s THR 132 Cb -0.17 -2.89 0.20 0.00 1.34 0.00 0.00 72.50 70.99 1yav s THR 132 CO 0.04 -0.26 1.89 0.03 -0.54 0.00 0.00 174.62 175.78 1yav h ARG 133 N 1.73 0.99 -0.91 3.99 3.08 -1.79 -2.99 114.38 118.47 1yav h ARG 133 Ca -0.44 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.49 1yav h ARG 133 Cb 1.25 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 31.07 1yav h ARG 133 CO 0.63 0.76 0.59 -0.09 -1.07 0.00 0.00 179.97 180.79 1yav h ARG 134 N 0.99 1.21 -0.32 0.04 2.43 -1.96 0.00 114.38 116.78 1yav h ARG 134 Ca 0.24 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 59.22 1yav h ARG 134 Cb 0.09 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 1yav h ARG 134 CO -0.03 0.82 -0.27 -0.24 -1.51 0.00 0.00 179.97 178.73 1yav h VAL 135 N 1.24 1.28 0.31 0.20 3.04 -1.88 0.21 116.25 120.64 1yav h VAL 135 Ca 0.33 -1.37 -0.01 0.00 -1.01 0.00 0.00 66.70 64.64 1yav h VAL 135 Cb -0.12 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 1yav h VAL 135 CO -0.07 0.45 -0.15 0.58 -1.01 0.00 0.00 177.57 177.37 1yav h VAL 136 N 0.56 0.73 -0.92 1.51 2.07 -1.37 -0.90 116.25 117.93 1yav h VAL 136 Ca 0.07 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1yav h VAL 136 Cb 0.76 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 1yav h VAL 136 CO 0.06 0.08 0.61 -0.07 0.02 0.00 0.00 177.57 178.27 1yav h LEU 137 N -0.63 1.05 -0.65 2.57 3.38 -0.91 0.15 115.31 120.28 1yav h LEU 137 Ca -0.04 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1yav h LEU 137 Cb 0.45 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1yav h LEU 137 CO 0.07 0.76 0.01 0.50 0.09 0.00 0.00 178.44 179.86 1yav h LYS 138 N 1.24 1.06 -0.06 1.13 3.64 -0.52 -0.48 116.57 122.58 1yav h LYS 138 Ca 0.34 -0.33 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1yav h LYS 138 Cb -0.14 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.58 1yav h LYS 138 CO -0.07 1.03 -0.28 0.93 -2.27 0.00 0.00 179.45 178.79 1yav h GLU 139 N 0.97 0.30 0.00 1.90 4.39 -0.74 -2.40 114.58 118.99 1yav h GLU 139 Ca 0.17 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1yav h GLU 139 Cb 0.55 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1yav h GLU 139 CO 0.03 0.88 -0.08 -0.07 -1.16 0.00 0.00 179.01 178.61 1yav h LEU 140 N -0.22 0.00 0.10 1.33 3.38 -0.71 -1.95 115.31 117.24 1yav h LEU 140 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1yav h LEU 140 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1yav h LEU 140 CO 0.06 0.08 -0.05 -1.13 0.09 0.00 0.00 178.44 177.49 1yav h ASN 141 N 0.00 -0.11 -0.74 -0.43 -0.73 -0.98 -1.66 115.58 110.94 1yav h ASN 141 Ca -0.00 -0.44 0.16 0.00 1.87 0.00 0.00 56.30 57.89 1yav h ASN 141 Cb 0.21 0.03 -0.05 0.00 0.27 0.00 0.00 38.32 38.78 1yav h ASN 141 CO 0.01 0.43 0.50 0.11 -0.37 0.00 0.00 177.43 178.11 1yav h LYS 142 N -0.69 0.32 0.37 6.67 1.57 -0.96 -2.63 116.57 121.22 1yav h LYS 142 Ca -0.01 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1yav h LYS 142 Cb 0.54 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1yav h LYS 142 CO 0.02 0.21 -0.18 1.25 -0.57 0.00 0.00 179.45 180.18 1yav h HIS 143 N 0.33 -0.47 0.00 -1.35 2.76 -1.28 -3.52 115.15 111.62 1yav h HIS 143 Ca 0.36 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 1yav h HIS 143 Cb 0.95 0.15 0.00 0.00 1.55 0.00 0.00 27.41 30.06 1yav h HIS 143 CO -0.00 -0.23 0.00 -0.89 -1.30 0.00 0.00 177.93 175.51