#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nya n THR 2 N 0.00 0.00 -1.50 12.58 -1.04 -1.26 -4.82 114.28 118.24 1nya n THR 2 Ca 0.00 0.00 -0.52 0.00 -2.04 0.00 0.00 64.05 61.49 1nya n THR 2 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 1nya n THR 2 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nya n ALA 3 N 0.00 0.81 0.09 2.41 0.00 -1.26 -4.82 120.51 117.75 1nya n ALA 3 Ca 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.46 1nya n ALA 3 Cb 0.00 -2.47 -0.02 0.00 0.00 0.00 0.00 19.45 16.96 1nya n ALA 3 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1nya h ILE 4 N 6.63 1.49 -0.57 0.00 1.08 -1.96 -3.27 117.51 120.91 1nya h ILE 4 Ca -0.32 -2.91 -0.05 0.00 -0.39 0.00 0.00 64.86 61.20 1nya h ILE 4 Cb 1.32 2.61 -0.03 0.00 -3.07 0.00 0.00 36.82 37.66 1nya h ILE 4 CO 1.01 0.80 0.17 0.00 -0.69 0.00 0.00 178.15 179.44 1nya h ALA 5 N 1.18 1.23 0.61 1.87 0.00 -1.87 -3.07 119.26 119.21 1nya h ALA 5 Ca -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1nya h ALA 5 Cb 1.55 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1nya h ALA 5 CO 0.11 0.54 -0.39 1.03 0.00 0.00 0.00 179.25 180.54 1nya h SER 6 N 0.83 -0.99 -0.56 0.00 0.87 -1.96 -1.58 113.55 110.17 1nya h SER 6 Ca 0.19 0.06 0.11 0.00 -1.23 0.00 0.00 61.79 60.92 1nya h SER 6 Cb 0.25 0.29 -0.10 0.00 -0.44 0.00 0.00 62.40 62.40 1nya h SER 6 CO -0.01 -0.60 -0.12 0.44 -0.53 0.00 0.00 176.83 176.01 1nya h ASP 7 N -0.95 -0.48 -0.36 6.23 3.32 -1.68 1.16 116.42 123.66 1nya h ASP 7 Ca -0.07 0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1nya h ASP 7 Cb 0.77 0.33 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 1nya h ASP 7 CO 0.07 -0.17 0.22 0.03 -1.72 0.00 0.00 179.24 177.66 1nya h ARG 8 N 0.01 0.48 0.00 3.56 -0.00 -1.44 -2.69 114.38 114.31 1nya h ARG 8 Ca 0.27 -0.04 -0.18 0.00 -0.50 0.00 0.00 59.98 59.52 1nya h ARG 8 Cb 0.42 -0.10 -0.02 0.00 0.00 0.00 0.00 29.97 30.26 1nya h ARG 8 CO -0.56 0.36 -0.87 -0.07 0.00 0.00 0.00 179.97 178.83 1nya h LEU 9 N 0.47 0.03 -0.28 3.04 3.38 -0.48 -3.19 115.31 118.28 1nya h LEU 9 Ca 0.13 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1nya h LEU 9 Cb -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1nya h LEU 9 CO -0.02 0.89 0.17 0.50 0.09 0.00 0.00 178.44 180.06 1nya h LYS 10 N 0.01 0.38 -0.24 1.13 3.11 0.15 -3.07 116.57 118.04 1nya h LYS 10 Ca -0.01 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.76 1nya h LYS 10 Cb 1.54 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 32.68 1nya h LYS 10 CO 0.12 0.29 0.04 0.87 -2.81 0.00 0.00 179.45 177.95 1nya h LYS 11 N 0.35 0.40 -0.73 1.90 1.57 -1.57 -2.66 116.57 115.83 1nya h LYS 11 Ca 0.10 -0.11 0.21 0.00 -1.87 0.00 0.00 60.65 58.98 1nya h LYS 11 Cb 0.01 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1nya h LYS 11 CO -0.02 0.53 0.74 0.00 -0.57 0.00 0.00 179.45 180.13 1nya h ARG 12 N 0.20 0.00 0.19 3.15 -0.00 -1.52 1.33 114.38 117.73 1nya h ARG 12 Ca 0.07 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.54 1nya h ARG 12 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.30 1nya h ARG 12 CO 0.00 0.00 -0.09 0.35 0.00 0.00 0.00 179.97 180.24 1nya h PHE 13 N 0.00 -0.23 0.00 3.04 3.57 -1.39 -3.06 116.94 118.87 1nya h PHE 13 Ca 0.35 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 1nya h PHE 13 Cb 1.82 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 40.64 1nya h PHE 13 CO 0.00 -0.14 -0.06 0.22 -2.23 0.00 0.00 178.31 176.10 1nya h ASP 14 N -0.49 0.00 1.03 0.41 3.58 -1.35 -2.68 116.42 116.91 1nya h ASP 14 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1nya h ASP 14 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 1nya h ASP 14 CO 0.04 0.06 0.00 -0.09 -2.88 0.00 0.00 179.24 176.37 1nya h ARG 15 N 0.00 0.00 -0.13 0.28 1.12 0.16 -2.91 114.38 112.90 1nya h ARG 15 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1nya h ARG 15 Cb 0.55 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.51 1nya h ARG 15 CO 0.01 0.00 0.00 0.91 -3.11 0.00 0.00 179.97 177.78 1nya n TRP 16 N -2.33 0.41 -2.56 2.20 5.03 -1.02 -4.91 117.44 114.27 1nya n TRP 16 Ca 0.03 -0.86 -0.42 0.00 3.03 0.00 0.00 57.50 59.28 1nya n TRP 16 Cb 0.31 -0.19 -0.01 0.00 -1.03 0.00 0.00 31.31 30.39 1nya n TRP 16 CO 0.00 0.00 0.00 0.34 -0.03 0.00 0.00 177.69 178.00 1nya s ASP 17 N -2.15 6.72 0.15 -0.99 -1.08 -1.10 -4.82 116.67 113.40 1nya s ASP 17 Ca 0.32 -2.21 -0.19 0.00 -0.52 0.00 0.00 52.55 49.95 1nya s ASP 17 Cb 0.26 -2.58 0.05 0.00 -1.46 0.00 0.00 42.92 39.19 1nya s ASP 17 CO 0.06 -1.29 1.67 0.15 0.52 0.00 0.00 175.17 176.28 1nya h PHE 18 N 8.11 -0.27 0.00 -5.34 3.04 -1.90 -2.90 116.94 117.67 1nya h PHE 18 Ca 0.39 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.37 1nya h PHE 18 Cb 0.90 0.17 0.00 0.00 2.56 0.00 0.00 35.95 39.58 1nya h PHE 18 CO 1.39 -0.18 -1.26 -0.40 -2.02 0.00 0.00 178.31 175.84 1nya n ASP 19 N -5.29 0.71 -1.59 0.41 5.68 -1.26 -5.00 116.55 110.21 1nya n ASP 19 Ca 0.00 -0.70 -0.06 0.00 -0.50 0.00 0.00 54.79 53.54 1nya n ASP 19 Cb 0.21 1.25 0.03 0.00 -1.14 0.00 0.00 41.12 41.46 1nya n ASP 19 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nya n GLY 20 N 1.43 0.33 0.02 6.12 0.00 -1.10 -4.96 105.19 107.04 1nya n GLY 20 Ca 0.02 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 45.80 1nya n GLY 20 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nya n ASN 21 N -0.89 0.68 0.00 1.61 6.94 -1.26 -4.96 115.26 117.38 1nya n ASN 21 Ca -0.05 -0.50 0.00 0.00 -0.02 0.00 0.00 54.58 54.02 1nya n ASN 21 Cb 0.54 0.44 0.00 0.00 -2.36 0.00 0.00 39.78 38.40 1nya n ASN 21 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1nya n GLY 22 N 1.49 0.53 3.73 4.83 0.00 -1.26 -5.03 105.19 109.47 1nya n GLY 22 Ca 0.06 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 1nya n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nya s ALA 23 N -2.00 -0.32 -0.19 4.61 0.00 -1.26 -4.76 121.76 117.84 1nya s ALA 23 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1nya s ALA 23 Cb 0.00 0.77 0.02 0.00 0.00 0.00 0.00 23.12 23.91 1nya s ALA 23 CO 0.00 -0.94 -0.16 -0.51 0.00 0.00 0.00 175.76 174.15 1nya s LEU 24 N -3.13 2.32 0.42 0.00 1.43 -0.99 -4.88 118.68 113.86 1nya s LEU 24 Ca 0.19 -0.62 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 1nya s LEU 24 Cb -0.04 -1.54 -0.06 0.00 0.03 0.00 0.00 46.19 44.58 1nya s LEU 24 CO 0.14 -0.01 0.11 -0.70 0.23 0.00 0.00 176.35 176.13 1nya s GLU 25 N 1.32 2.12 0.19 1.70 2.12 -1.26 -2.97 118.70 121.92 1nya s GLU 25 Ca 0.05 -1.96 -0.06 0.00 0.36 0.00 0.00 54.97 53.36 1nya s GLU 25 Cb -0.13 -1.84 0.09 0.00 0.26 0.00 0.00 34.13 32.51 1nya s GLU 25 CO -0.11 -0.10 1.55 -0.09 -0.54 0.00 0.00 175.26 175.97 1nya h ARG 26 N 1.55 0.77 0.00 4.30 2.43 -1.82 -2.64 114.38 118.97 1nya h ARG 26 Ca -0.43 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.35 1nya h ARG 26 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1nya h ARG 26 CO 0.74 1.01 0.10 0.00 -1.51 0.00 0.00 179.97 180.31 1nya h ALA 27 N 0.95 1.10 0.00 2.80 0.00 -1.96 0.95 119.26 123.09 1nya h ALA 27 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1nya h ALA 27 Cb 0.91 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1nya h ALA 27 CO 0.08 -0.10 -0.42 -0.44 0.00 0.00 0.00 179.25 178.37 1nya h ASP 28 N 0.00 0.00 0.10 0.00 3.32 -1.88 -2.74 116.42 115.22 1nya h ASP 28 Ca 0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 1nya h ASP 28 Cb 0.19 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.77 1nya h ASP 28 CO 0.00 0.42 -1.13 -0.26 -1.72 0.00 0.00 179.24 176.55 1nya h PHE 29 N 0.00 0.98 -0.73 4.55 -1.00 -0.94 -2.45 116.94 117.36 1nya h PHE 29 Ca -0.00 -0.58 -0.05 0.00 2.81 0.00 0.00 57.97 60.15 1nya h PHE 29 Cb 0.93 -0.10 -0.03 0.00 3.61 0.00 0.00 35.95 40.36 1nya h PHE 29 CO 0.00 1.41 0.27 0.93 -1.61 0.00 0.00 178.31 179.31 1nya h GLU 30 N 0.32 1.10 -0.26 1.51 5.08 -1.50 -1.63 114.58 119.21 1nya h GLU 30 Ca -0.15 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 57.94 1nya h GLU 30 Cb 1.79 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.86 1nya h GLU 30 CO 0.22 0.92 -0.04 0.87 -1.00 0.00 0.00 179.01 179.97 1nya h LYS 31 N 1.05 0.48 0.16 2.33 1.57 -1.54 -2.65 116.57 117.96 1nya h LYS 31 Ca 0.24 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1nya h LYS 31 Cb 0.24 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.48 1nya h LYS 31 CO -0.02 0.68 -0.51 1.49 -0.57 0.00 0.00 179.45 180.53 1nya h GLU 32 N 0.24 -0.74 -0.81 3.15 4.57 -1.19 0.54 114.58 120.35 1nya h GLU 32 Ca 0.07 0.05 0.16 0.00 -1.18 0.00 0.00 59.36 58.45 1nya h GLU 32 Cb 0.49 0.17 -0.15 0.00 -0.16 0.00 0.00 28.75 29.10 1nya h GLU 32 CO 0.02 -0.49 -0.24 0.00 -1.18 0.00 0.00 179.01 177.12 1nya h ALA 33 N -0.50 0.44 -0.03 2.92 0.00 -1.30 0.18 119.26 120.98 1nya h ALA 33 Ca -0.01 0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1nya h ALA 33 Cb 0.76 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1nya h ALA 33 CO -0.26 -0.45 0.01 1.96 0.00 0.00 0.00 179.25 180.51 1nya h GLN 34 N -0.02 0.04 -0.20 0.00 4.20 -0.97 -0.60 115.11 117.56 1nya h GLN 34 Ca 0.37 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 59.13 1nya h GLN 34 Cb 0.60 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1nya h GLN 34 CO -0.84 0.17 0.30 1.25 -0.67 0.00 0.00 178.83 179.04 1nya h HIS 35 N -0.11 0.00 0.00 2.96 2.76 0.24 -1.98 115.15 119.02 1nya h HIS 35 Ca 0.01 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.13 1nya h HIS 35 Cb 0.15 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 1nya h HIS 35 CO -0.03 0.00 -0.34 0.82 -1.30 0.00 0.00 177.93 177.08 1nya h ILE 36 N 0.00 0.92 -0.94 6.26 2.04 -0.02 -3.29 117.51 122.48 1nya h ILE 36 Ca 0.09 -1.80 0.27 0.00 1.00 0.00 0.00 64.86 64.42 1nya h ILE 36 Cb 0.69 1.85 -0.14 0.00 -0.74 0.00 0.00 36.82 38.47 1nya h ILE 36 CO -0.00 0.31 0.40 0.00 0.00 0.00 0.00 178.15 178.87 1nya h ALA 37 N -0.49 1.60 -0.85 1.87 0.00 -0.42 0.43 119.26 121.39 1nya h ALA 37 Ca -0.08 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1nya h ALA 37 Cb 0.75 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1nya h ALA 37 CO -0.05 -0.49 0.47 0.93 0.00 0.00 0.00 179.25 180.11 1nya h GLU 38 N 0.29 1.19 -0.07 0.00 5.08 -1.56 -1.60 114.58 117.91 1nya h GLU 38 Ca 0.63 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.88 1nya h GLU 38 Cb 1.34 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1nya h GLU 38 CO -0.62 0.87 0.10 0.00 -1.00 0.00 0.00 179.01 178.37 1nya h ALA 39 N 1.32 1.55 -0.19 3.43 0.00 -0.21 0.26 119.26 125.42 1nya h ALA 39 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1nya h ALA 39 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1nya h ALA 39 CO -0.05 -0.14 0.00 1.19 0.00 0.00 0.00 179.25 180.25 1nya n PHE 40 N -3.65 0.23 -1.07 0.00 3.01 -0.61 -4.92 117.46 110.46 1nya n PHE 40 Ca -0.01 -0.12 -0.02 0.00 1.01 0.00 0.00 57.45 58.31 1nya n PHE 40 Cb 0.20 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.66 1nya n PHE 40 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nya n GLY 41 N 1.23 0.40 3.92 1.37 0.00 0.91 -4.99 105.19 108.03 1nya n GLY 41 Ca 0.17 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1nya n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nya s LYS 42 N -1.59 3.22 0.10 1.61 3.01 -1.17 -5.04 119.74 119.89 1nya s LYS 42 Ca 0.00 -0.09 -0.31 0.00 -1.01 0.00 0.00 55.97 54.57 1nya s LYS 42 Cb 0.00 -2.41 -0.07 0.00 -1.01 0.00 0.00 37.83 34.34 1nya s LYS 42 CO 0.00 -0.34 1.24 -0.51 0.51 0.00 0.00 175.35 176.25 1nya s ASP 43 N -4.19 7.02 0.27 2.83 1.01 -1.26 -4.46 116.67 117.89 1nya s ASP 43 Ca 0.49 2.14 0.23 0.00 0.71 0.00 0.00 52.55 56.12 1nya s ASP 43 Cb -0.10 -2.59 1.02 0.00 1.01 0.00 0.00 42.92 42.26 1nya s ASP 43 CO 0.42 -0.49 1.71 0.00 0.21 0.00 0.00 175.17 177.02 1nya n ALA 44 N 3.61 1.56 -0.59 5.23 0.00 -1.26 -2.26 120.51 126.80 1nya n ALA 44 Ca 0.08 0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.72 1nya n ALA 44 Cb 0.45 -1.38 0.31 0.00 0.00 0.00 0.00 19.45 18.83 1nya n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nya n GLY 45 N -0.21 2.93 0.00 0.00 0.00 -1.26 -4.72 105.19 101.92 1nya n GLY 45 Ca 0.01 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1nya n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nya n ALA 46 N 0.83 0.00 -0.08 4.61 0.00 -0.96 -4.96 120.51 119.95 1nya n ALA 46 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.44 1nya n ALA 46 Cb 0.80 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.13 1nya n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nya n ALA 47 N -3.00 0.89 0.28 0.00 0.00 -1.26 -3.79 120.51 113.62 1nya n ALA 47 Ca 0.00 -0.61 0.12 0.00 0.00 0.00 0.00 53.44 52.95 1nya n ALA 47 Cb 0.00 -0.50 0.79 0.00 0.00 0.00 0.00 19.45 19.74 1nya n ALA 47 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1nya h GLU 48 N -0.65 0.00 0.06 0.00 4.81 -1.95 -1.38 114.58 115.47 1nya h GLU 48 Ca -0.42 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.57 1nya h GLU 48 Cb 1.58 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.98 1nya h GLU 48 CO -0.14 0.00 -0.95 0.28 -0.73 0.00 0.00 179.01 177.47 1nya h VAL 49 N 0.00 1.35 -0.77 0.32 2.07 -1.87 -2.71 116.25 114.64 1nya h VAL 49 Ca -0.00 -2.30 -0.01 0.00 0.82 0.00 0.00 66.70 65.20 1nya h VAL 49 Cb 0.01 2.66 -0.04 0.00 -1.52 0.00 0.00 31.29 32.40 1nya h VAL 49 CO 0.00 0.69 0.43 1.56 0.02 0.00 0.00 177.57 180.27 1nya h GLN 50 N 0.11 1.08 0.54 1.57 4.20 -1.50 -1.91 115.11 119.19 1nya h GLN 50 Ca -0.14 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.43 1nya h GLN 50 Cb 1.65 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 29.20 1nya h GLN 50 CO 0.18 0.80 -0.42 1.15 -0.67 0.00 0.00 178.83 179.87 1nya h THR 51 N 1.07 0.16 -0.07 -0.54 2.02 -1.30 0.44 112.91 114.69 1nya h THR 51 Ca 0.27 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.48 1nya h THR 51 Cb 0.03 0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 66.54 1nya h THR 51 CO -0.04 0.00 -0.49 0.25 0.37 0.00 0.00 175.52 175.61 1nya h LEU 52 N -0.93 -1.52 -0.96 2.58 5.85 -1.29 0.14 115.31 119.18 1nya h LEU 52 Ca -0.06 0.18 0.21 0.00 0.84 0.00 0.00 57.88 59.05 1nya h LEU 52 Cb 0.79 0.60 -0.11 0.00 0.37 0.00 0.00 40.66 42.30 1nya h LEU 52 CO 0.01 -0.48 0.54 0.50 -0.34 0.00 0.00 178.44 178.67 1nya h LYS 53 N -0.59 0.60 -0.78 1.25 3.64 -1.25 0.20 116.57 119.65 1nya h LYS 53 Ca 0.04 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1nya h LYS 53 Cb 0.68 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.30 1nya h LYS 53 CO -0.39 0.40 0.46 -0.97 -2.27 0.00 0.00 179.45 176.68 1nya h ASN 54 N 0.62 0.69 0.19 4.20 -0.73 0.11 -1.20 115.58 119.46 1nya h ASN 54 Ca 0.58 0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.77 1nya h ASN 54 Cb 0.99 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.47 1nya h ASN 54 CO -0.44 0.44 -0.09 0.00 -0.37 0.00 0.00 177.43 176.97 1nya h ALA 55 N 1.39 -0.25 -1.19 1.57 0.00 0.27 -3.09 119.26 117.96 1nya h ALA 55 Ca 0.35 -0.21 0.34 0.00 0.00 0.00 0.00 54.91 55.39 1nya h ALA 55 Cb 0.22 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1nya h ALA 55 CO -0.19 -0.40 0.84 0.74 0.00 0.00 0.00 179.25 180.23 1nya h PHE 56 N -0.74 0.15 0.03 0.00 -1.00 -0.79 0.49 116.94 115.09 1nya h PHE 56 Ca -0.03 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.76 1nya h PHE 56 Cb 0.51 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.02 1nya h PHE 56 CO 0.06 0.00 -0.02 0.78 -1.61 0.00 0.00 178.31 177.53 1nya h GLY 57 N 0.08 -0.05 2.00 -1.45 0.00 -1.14 -2.91 103.07 99.60 1nya h GLY 57 Ca 0.59 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.93 1nya h GLY 57 CO -0.08 -0.02 -0.05 -1.33 0.00 0.00 0.00 176.54 175.06 1nya h GLY 58 N -0.23 0.00 0.91 4.60 0.00 -0.93 -2.53 103.07 104.89 1nya h GLY 58 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1nya h GLY 58 CO 0.01 0.00 0.63 -2.00 0.00 0.00 0.00 176.54 175.18 1nya h LEU 59 N 0.00 1.07 -1.09 3.11 7.12 -1.27 -1.43 115.31 122.82 1nya h LEU 59 Ca -0.00 -0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.01 1nya h LEU 59 Cb 0.10 -0.25 -0.05 0.00 -0.53 0.00 0.00 40.66 39.94 1nya h LEU 59 CO 0.01 0.74 0.62 0.15 -0.13 0.00 0.00 178.44 179.83 1nya h PHE 60 N 1.24 1.17 -0.94 1.25 3.04 -1.48 -2.24 116.94 118.99 1nya h PHE 60 Ca 0.38 0.03 0.27 0.00 3.98 0.00 0.00 57.97 62.63 1nya h PHE 60 Cb -0.03 -0.40 -0.16 0.00 2.56 0.00 0.00 35.95 37.92 1nya h PHE 60 CO -0.01 0.73 0.18 0.22 -2.02 0.00 0.00 178.31 177.42 1nya h ASP 61 N 1.26 -0.17 -0.88 0.41 1.82 -1.32 0.98 116.42 118.53 1nya h ASP 61 Ca 0.34 0.24 0.01 0.00 -0.39 0.00 0.00 57.03 57.24 1nya h ASP 61 Cb -0.13 0.36 -0.04 0.00 0.68 0.00 0.00 39.33 40.20 1nya h ASP 61 CO -0.08 -0.28 0.58 0.22 -1.61 0.00 0.00 179.24 178.07 1nya h TYR 62 N 0.09 1.10 0.60 0.28 3.20 -1.45 -1.20 116.97 119.60 1nya h TYR 62 Ca 0.61 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.48 1nya h TYR 62 Cb 1.32 -0.37 0.01 0.00 1.54 0.00 0.00 36.73 39.22 1nya h TYR 62 CO -0.33 0.69 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.52 1nya h LEU 63 N 1.18 -0.68 -0.71 2.82 3.38 0.93 0.13 115.31 122.35 1nya h LEU 63 Ca 0.32 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.34 1nya h LEU 63 Cb -0.13 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1nya h LEU 63 CO -0.07 -0.32 0.38 0.00 0.09 0.00 0.00 178.44 178.52 1nya h ALA 64 N -0.93 0.98 0.46 1.53 0.00 -1.29 1.33 119.26 121.34 1nya h ALA 64 Ca -0.08 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1nya h ALA 64 Cb 0.67 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1nya h ALA 64 CO 0.14 0.03 -0.22 0.87 0.00 0.00 0.00 179.25 180.06 1nya h LYS 65 N 0.68 -0.60 -0.73 0.00 1.79 -1.25 1.31 116.57 117.77 1nya h LYS 65 Ca 0.33 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 1nya h LYS 65 Cb 0.28 0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 31.03 1nya h LYS 65 CO -0.22 -0.29 0.46 1.49 -1.08 0.00 0.00 179.45 179.81 1nya h GLU 66 N -0.94 0.98 0.00 3.15 4.81 -0.53 -2.21 114.58 119.84 1nya h GLU 66 Ca -0.06 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 58.96 1nya h GLU 66 Cb 0.58 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1nya h GLU 66 CO 0.10 0.68 -0.60 0.00 -0.73 0.00 0.00 179.01 178.46 1nya h ALA 67 N 1.25 0.79 -2.53 2.92 0.00 0.17 -3.48 119.26 118.39 1nya h ALA 67 Ca 0.27 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1nya h ALA 67 Cb -0.07 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.64 1nya h ALA 67 CO -0.05 0.75 -0.08 0.41 0.00 0.00 0.00 179.25 180.28 1nya n GLY 68 N 0.65 0.43 0.08 0.00 0.00 0.42 -5.02 105.19 101.75 1nya n GLY 68 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1nya n GLY 68 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1nya n VAL 69 N -1.38 0.00 0.00 1.61 0.31 0.58 -5.02 118.33 114.44 1nya n VAL 69 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1nya n VAL 69 Cb 0.52 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 1nya n VAL 69 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nya n GLY 70 N 3.59 2.57 0.33 2.92 0.00 -1.26 -4.84 105.19 108.49 1nya n GLY 70 Ca 0.00 -0.83 0.21 0.00 0.00 0.00 0.00 46.02 45.41 1nya n GLY 70 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1nya h SER 71 N 0.00 0.00 -0.18 1.61 0.87 -1.95 -1.53 113.55 112.37 1nya h SER 71 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1nya h SER 71 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1nya h SER 71 CO 0.00 0.00 0.00 0.47 -0.53 0.00 0.00 176.83 176.77 1nya n ASP 72 N -3.13 2.64 -1.43 6.23 8.00 -1.26 -4.63 116.55 122.97 1nya n ASP 72 Ca -0.02 -2.21 0.00 0.00 0.71 0.00 0.00 54.79 53.26 1nya n ASP 72 Cb 0.11 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 1nya n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nya n GLY 73 N -0.15 1.14 3.08 0.44 0.00 -0.58 -5.03 105.19 104.09 1nya n GLY 73 Ca 0.09 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 1nya n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nya s SER 74 N -1.00 0.25 -0.05 1.61 1.04 -1.26 -4.61 113.70 109.69 1nya s SER 74 Ca 0.00 -0.61 0.05 0.00 0.48 0.00 0.00 55.95 55.87 1nya s SER 74 Cb 0.00 0.19 -0.02 0.00 0.10 0.00 0.00 66.02 66.29 1nya s SER 74 CO 0.00 -0.48 -0.19 -0.76 0.98 0.00 0.00 173.24 172.79 1nya s LEU 75 N -2.12 2.43 0.00 2.42 1.02 -1.16 -4.90 118.68 116.37 1nya s LEU 75 Ca -0.05 -0.33 -0.01 0.00 0.02 0.00 0.00 54.13 53.75 1nya s LEU 75 Cb -0.01 -1.46 0.02 0.00 0.02 0.00 0.00 46.19 44.75 1nya s LEU 75 CO -0.05 0.31 0.11 0.35 0.02 0.00 0.00 176.35 177.10 1nya n THR 76 N 2.50 0.00 -0.01 5.49 -2.24 -1.26 -2.34 114.28 116.42 1nya n THR 76 Ca -0.17 -0.10 -0.11 0.00 -2.27 0.00 0.00 64.05 61.40 1nya n THR 76 Cb 0.52 -1.80 -0.09 0.00 -2.10 0.00 0.00 70.33 66.86 1nya n THR 76 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1nya h GLU 77 N 0.00 -0.08 -0.49 -0.78 4.81 -2.00 -2.56 114.58 113.49 1nya h GLU 77 Ca -0.04 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.30 1nya h GLU 77 Cb 0.11 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1nya h GLU 77 CO 0.03 0.52 0.34 0.93 -0.73 0.00 0.00 179.01 180.09 1nya h GLU 78 N -0.87 0.20 -0.11 1.92 5.08 -1.99 -1.57 114.58 117.24 1nya h GLU 78 Ca -0.01 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1nya h GLU 78 Cb 0.63 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1nya h GLU 78 CO 0.01 0.13 -0.23 1.96 -1.00 0.00 0.00 179.01 179.89 1nya h GLN 79 N 0.21 0.34 -0.21 2.33 1.08 -1.94 -2.95 115.11 113.97 1nya h GLN 79 Ca 0.23 -0.23 0.06 0.00 -1.45 0.00 0.00 58.65 57.26 1nya h GLN 79 Cb 0.63 0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 28.02 1nya h GLN 79 CO -0.04 0.83 -0.32 0.35 -0.95 0.00 0.00 178.83 178.70 1nya h PHE 80 N -0.09 -0.87 0.30 2.96 3.57 -0.86 -0.69 116.94 121.26 1nya h PHE 80 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1nya h PHE 80 Cb 0.82 0.42 -0.03 0.00 2.79 0.00 0.00 35.95 39.95 1nya h PHE 80 CO 0.11 -0.39 -0.40 0.82 -2.23 0.00 0.00 178.31 176.22 1nya h ILE 81 N -0.35 0.19 -0.18 1.41 2.04 -1.53 1.26 117.51 120.36 1nya h ILE 81 Ca 0.12 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.03 1nya h ILE 81 Cb 0.54 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 36.75 1nya h ILE 81 CO -0.40 0.00 -0.24 -0.09 0.00 0.00 0.00 178.15 177.41 1nya h ARG 82 N -0.75 -0.27 -0.34 2.37 2.43 -1.32 0.95 114.38 117.45 1nya h ARG 82 Ca -0.01 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1nya h ARG 82 Cb 0.70 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1nya h ARG 82 CO -0.12 -0.18 -0.11 0.28 -1.51 0.00 0.00 179.97 178.32 1nya h VAL 83 N -0.28 1.28 -0.59 0.20 2.07 -0.99 -2.99 116.25 114.95 1nya h VAL 83 Ca 0.11 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1nya h VAL 83 Cb 0.46 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1nya h VAL 83 CO -0.34 0.39 0.32 0.74 0.02 0.00 0.00 177.57 178.71 1nya h THR 84 N 0.45 1.19 -0.60 2.57 2.02 0.20 -2.65 112.91 116.09 1nya h THR 84 Ca 0.08 -0.49 0.12 0.00 0.77 0.00 0.00 66.41 66.89 1nya h THR 84 Cb 0.63 0.43 -0.11 0.00 -1.74 0.00 0.00 68.15 67.36 1nya h THR 84 CO 0.04 0.21 -0.16 -0.33 0.37 0.00 0.00 175.52 175.65 1nya h GLU 85 N 0.80 -0.01 -0.54 6.66 4.39 0.10 0.21 114.58 126.20 1nya h GLU 85 Ca 0.21 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 1nya h GLU 85 Cb 0.04 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 1nya h GLU 85 CO -0.03 -0.00 0.29 -0.91 -1.16 0.00 0.00 179.01 177.19 1nya h ASN 86 N -0.01 0.66 -0.14 1.42 4.21 -1.34 0.18 115.58 120.55 1nya h ASN 86 Ca 0.29 -0.05 0.01 0.00 1.21 0.00 0.00 56.30 57.77 1nya h ASN 86 Cb 0.45 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.46 1nya h ASN 86 CO -0.62 0.54 0.04 -0.07 -1.29 0.00 0.00 177.43 176.02 1nya h LEU 87 N 0.75 0.04 -0.19 1.61 3.38 -0.28 0.95 115.31 121.56 1nya h LEU 87 Ca 0.19 0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.95 1nya h LEU 87 Cb 0.03 0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1nya h LEU 87 CO -0.03 0.04 -0.89 0.40 0.09 0.00 0.00 178.44 178.05 1nya h ILE 88 N 0.11 1.36 0.00 1.22 1.08 -1.06 -3.42 117.51 116.80 1nya h ILE 88 Ca 0.06 -2.28 0.00 0.00 -0.39 0.00 0.00 64.86 62.25 1nya h ILE 88 Cb 0.04 2.29 0.00 0.00 -3.07 0.00 0.00 36.82 36.08 1nya h ILE 88 CO -0.07 0.69 0.00 0.49 -0.69 0.00 0.00 178.15 178.57 1nya n PHE 89 N -3.81 0.00 0.00 1.37 3.72 0.59 -4.99 117.46 114.34 1nya n PHE 89 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1nya n PHE 89 Cb 0.80 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.34 1nya n PHE 89 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1nya n GLU 90 N -0.63 1.46 -1.06 -1.08 2.13 0.33 -4.94 120.64 116.84 1nya n GLU 90 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 1nya n GLU 90 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.70 1nya n GLU 90 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1nya n GLN 91 N 0.00 -2.75 -2.80 5.31 1.13 -1.19 -4.53 117.38 112.54 1nya n GLN 91 Ca 0.00 2.14 -0.30 0.00 -1.94 0.00 0.00 57.00 56.90 1nya n GLN 91 Cb 0.00 -2.71 -0.03 0.00 0.11 0.00 0.00 30.24 27.61 1nya n GLN 91 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1nya s GLY 92 N -4.78 1.93 0.12 1.08 0.00 -1.26 -4.96 107.32 99.44 1nya s GLY 92 Ca 0.00 -0.19 -0.30 0.00 0.00 0.00 0.00 44.72 44.23 1nya s GLY 92 CO 0.00 0.00 1.59 0.83 0.00 0.00 0.00 173.10 175.52 1nya h GLU 93 N 1.16 -0.56 0.00 2.90 3.07 -1.98 0.17 114.58 119.35 1nya h GLU 93 Ca -0.47 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1nya h GLU 93 Cb 1.19 0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.23 1nya h GLU 93 CO 0.63 -0.37 0.00 0.00 -1.40 0.00 0.00 179.01 177.87 1nya n ALA 94 N -2.86 1.14 -0.05 3.43 0.00 -1.26 -2.06 120.51 118.86 1nya n ALA 94 Ca -0.06 0.10 -0.16 0.00 0.00 0.00 0.00 53.44 53.33 1nya n ALA 94 Cb 0.37 -1.21 -0.07 0.00 0.00 0.00 0.00 19.45 18.54 1nya n ALA 94 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1nya h SER 95 N 0.00 0.75 -0.30 0.00 0.87 -1.03 0.72 113.55 114.56 1nya h SER 95 Ca 0.00 -0.59 -0.07 0.00 -1.23 0.00 0.00 61.79 59.90 1nya h SER 95 Cb 0.06 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 1nya h SER 95 CO 0.00 1.21 -0.09 0.15 -0.53 0.00 0.00 176.83 177.57 1nya h PHE 96 N 0.33 0.66 -0.48 2.24 3.04 -1.28 -2.24 116.94 119.21 1nya h PHE 96 Ca -0.02 -0.15 -0.11 0.00 3.98 0.00 0.00 57.97 61.67 1nya h PHE 96 Cb 1.14 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 39.47 1nya h PHE 96 CO 0.10 0.79 -0.15 -0.97 -2.02 0.00 0.00 178.31 176.05 1nya h ASN 97 N 0.35 0.92 0.70 0.41 -0.73 -1.58 0.94 115.58 116.60 1nya h ASN 97 Ca 0.07 -0.31 -0.03 0.00 1.87 0.00 0.00 56.30 57.90 1nya h ASN 97 Cb 0.58 -0.25 0.01 0.00 0.27 0.00 0.00 38.32 38.93 1nya h ASN 97 CO 0.03 1.07 -0.33 0.03 -0.37 0.00 0.00 177.43 177.85 1nya h ARG 98 N 0.81 -0.90 -0.28 6.67 3.08 -0.79 1.05 114.38 124.02 1nya h ARG 98 Ca 0.12 0.06 -0.18 0.00 0.07 0.00 0.00 59.98 60.05 1nya h ARG 98 Cb 0.69 0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 1nya h ARG 98 CO 0.05 -0.60 -0.55 -0.24 -1.07 0.00 0.00 179.97 177.56 1nya h VAL 99 N -1.08 1.28 0.00 2.04 3.04 -1.49 -3.27 116.25 116.77 1nya h VAL 99 Ca -0.10 -1.74 -0.16 0.00 -1.01 0.00 0.00 66.70 63.69 1nya h VAL 99 Cb 0.72 1.64 -0.03 0.00 -2.01 0.00 0.00 31.29 31.61 1nya h VAL 99 CO 0.16 0.56 -1.11 0.25 -1.01 0.00 0.00 177.57 176.42 1nya h LEU 100 N 0.64 0.00 -0.97 3.16 5.85 -0.90 -3.38 115.31 119.70 1nya h LEU 100 Ca 0.01 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.85 1nya h LEU 100 Cb 1.15 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.04 1nya h LEU 100 CO 0.12 0.63 -0.48 1.23 -0.34 0.00 0.00 178.44 179.60 1nya h GLY 101 N 3.55 -0.38 2.00 3.75 0.00 0.11 1.05 103.07 113.16 1nya h GLY 101 Ca -0.11 0.65 0.00 0.00 0.00 0.00 0.00 47.33 47.88 1nya h GLY 101 CO 0.06 -0.08 0.00 -1.55 0.00 0.00 0.00 176.54 174.97 1nya n PRO 102 N -5.37 0.06 -0.05 4.80 -0.04 -1.26 -1.98 135.00 131.16 1nya n PRO 102 Ca 0.06 0.32 -0.07 0.00 -0.04 0.00 0.00 63.50 63.77 1nya n PRO 102 Cb 0.33 -1.62 -0.07 0.00 -0.04 0.00 0.00 33.50 32.11 1nya n PRO 102 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1nya h VAL 103 N 0.00 0.91 -0.12 0.52 2.07 0.93 -3.09 116.25 117.47 1nya h VAL 103 Ca 0.00 -1.66 -0.10 0.00 0.82 0.00 0.00 66.70 65.76 1nya h VAL 103 Cb 0.26 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1nya h VAL 103 CO 0.00 0.31 -0.36 0.58 0.02 0.00 0.00 177.57 178.12 1nya h VAL 104 N -0.99 1.29 -0.06 2.57 2.07 -1.33 -3.09 116.25 116.71 1nya h VAL 104 Ca -0.00 -1.40 0.03 0.00 0.82 0.00 0.00 66.70 66.15 1nya h VAL 104 Cb 0.51 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 1nya h VAL 104 CO 0.00 0.42 -0.16 0.11 0.02 0.00 0.00 177.57 177.96 1nya h LYS 105 N 0.22 -0.23 -1.03 1.57 1.57 -1.52 -1.76 116.57 115.39 1nya h LYS 105 Ca 0.03 0.02 0.26 0.00 -1.87 0.00 0.00 60.65 59.08 1nya h LYS 105 Cb 0.74 0.05 -0.10 0.00 0.08 0.00 0.00 32.23 33.00 1nya h LYS 105 CO 0.06 -0.15 0.65 0.78 -0.57 0.00 0.00 179.45 180.21 1nya h GLY 106 N -0.24 1.39 1.24 3.86 0.00 -1.45 0.16 103.07 108.04 1nya h GLY 106 Ca 0.07 -0.24 -0.20 0.00 0.00 0.00 0.00 47.33 46.96 1nya h GLY 106 CO -0.20 -0.16 -0.69 -2.22 0.00 0.00 0.00 176.54 173.28 1nya h ILE 107 N 0.45 1.29 -0.48 2.60 1.08 -1.43 -3.21 117.51 117.81 1nya h ILE 107 Ca 0.61 -1.90 -0.07 0.00 -0.39 0.00 0.00 64.86 63.10 1nya h ILE 107 Cb 1.42 1.87 -0.02 0.00 -3.07 0.00 0.00 36.82 37.02 1nya h ILE 107 CO -0.34 0.61 0.03 0.58 -0.69 0.00 0.00 178.15 178.33 1nya h VAL 108 N 0.55 1.24 -0.67 1.67 2.07 0.01 -2.26 116.25 118.84 1nya h VAL 108 Ca -0.03 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 1nya h VAL 108 Cb 1.30 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 1nya h VAL 108 CO 0.14 0.34 0.25 1.23 0.02 0.00 0.00 177.57 179.54 1nya h GLY 109 N 0.96 1.08 2.00 2.17 0.00 -1.14 1.38 103.07 109.53 1nya h GLY 109 Ca 0.15 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 1nya h GLY 109 CO 0.01 0.55 -0.42 -0.33 0.00 0.00 0.00 176.54 176.35 1nya h MET 110 N 0.98 0.00 0.00 4.80 2.07 -1.54 -3.32 114.93 117.93 1nya h MET 110 Ca 0.22 0.00 -0.18 0.00 -2.07 0.00 0.00 59.70 57.68 1nya h MET 110 Cb 0.22 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 29.92 1nya h MET 110 CO -0.02 0.42 -2.05 0.00 1.07 0.00 0.00 176.91 176.33 1nya s ASP 112 N -5.13 4.86 0.25 0.00 1.01 0.47 -4.77 116.67 113.36 1nya s ASP 112 Ca -0.08 1.26 0.22 0.00 0.71 0.00 0.00 52.55 54.65 1nya s ASP 112 Cb 0.10 -2.51 0.07 0.00 1.01 0.00 0.00 42.92 41.59 1nya s ASP 112 CO 0.86 -2.53 1.18 0.07 0.21 0.00 0.00 175.17 174.96 1nya h LYS 113 N 17.61 0.00 -0.02 8.23 2.10 -1.90 -3.31 116.57 139.28 1nya h LYS 113 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 1nya h LYS 113 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1nya h LYS 113 CO 1.10 0.06 -0.13 0.27 -2.00 0.00 0.00 179.45 178.75 1nya n ASN 114 N -2.83 2.01 -3.75 7.07 0.23 -1.26 -5.01 115.26 111.71 1nya n ASN 114 Ca -0.00 -1.50 -0.30 0.00 -0.53 0.00 0.00 54.58 52.24 1nya n ASN 114 Cb 0.59 0.20 0.03 0.00 -2.08 0.00 0.00 39.78 38.52 1nya n ASN 114 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1nya n ALA 115 N 0.46 -2.41 0.19 -2.53 0.00 -1.25 -4.90 120.51 110.07 1nya n ALA 115 Ca 0.08 -0.25 0.02 0.00 0.00 0.00 0.00 53.44 53.29 1nya n ALA 115 Cb 0.37 -3.41 -0.01 0.00 0.00 0.00 0.00 19.45 16.40 1nya n ALA 115 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1nya n ASP 116 N -2.75 0.44 0.00 0.00 5.75 -1.26 -5.00 116.55 113.73 1nya n ASP 116 Ca -0.15 -0.72 0.00 0.00 -0.01 0.00 0.00 54.79 53.91 1nya n ASP 116 Cb 0.62 0.79 0.00 0.00 -1.03 0.00 0.00 41.12 41.50 1nya n ASP 116 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nya n GLY 117 N 0.92 0.50 3.51 6.12 0.00 -1.26 -5.02 105.19 109.96 1nya n GLY 117 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1nya n GLY 117 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nya s GLN 118 N -0.07 1.75 -0.45 1.61 -0.21 -1.26 -4.70 119.66 116.33 1nya s GLN 118 Ca 0.00 -1.96 -0.07 0.00 0.02 0.00 0.00 55.36 53.34 1nya s GLN 118 Cb 0.00 -1.25 0.11 0.00 1.00 0.00 0.00 33.01 32.87 1nya s GLN 118 CO 0.00 -0.07 0.29 0.42 -2.12 0.00 0.00 175.29 173.81 1nya s ILE 119 N -2.99 3.96 0.55 1.08 -1.09 0.46 -4.93 121.20 118.24 1nya s ILE 119 Ca 0.34 -1.79 -0.08 0.00 -2.23 0.00 0.00 60.65 56.89 1nya s ILE 119 Cb 0.08 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 1nya s ILE 119 CO 0.16 -0.71 0.91 0.20 -1.23 0.00 0.00 174.94 174.27 1nya s ASN 120 N 2.36 6.25 0.36 3.58 0.01 -1.26 -1.41 114.94 124.83 1nya s ASN 120 Ca 0.06 1.18 0.11 0.00 -0.71 0.00 0.00 52.86 53.50 1nya s ASN 120 Cb -0.25 -2.36 0.88 0.00 0.41 0.00 0.00 41.25 39.93 1nya s ASN 120 CO -0.01 -0.73 1.82 0.00 -1.51 0.00 0.00 177.10 176.67 1nya h ALA 121 N -0.05 1.91 0.00 0.60 0.00 -1.99 1.06 119.26 120.79 1nya h ALA 121 Ca -0.45 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1nya h ALA 121 Cb 1.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1nya h ALA 121 CO 0.62 -0.22 -0.21 0.22 0.00 0.00 0.00 179.25 179.66 1nya h ASP 122 N 0.63 0.00 0.00 0.00 1.82 -1.98 -1.38 116.42 115.51 1nya h ASP 122 Ca 0.51 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 57.08 1nya h ASP 122 Cb 0.96 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.96 1nya h ASP 122 CO -0.27 0.21 -0.42 -0.33 -1.61 0.00 0.00 179.24 176.83 1nya h GLU 123 N 0.00 0.01 -0.21 0.28 5.08 0.41 -3.08 114.58 117.07 1nya h GLU 123 Ca -0.00 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1nya h GLU 123 Cb 0.77 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.99 1nya h GLU 123 CO 0.03 1.00 -0.03 0.35 -1.00 0.00 0.00 179.01 179.36 1nya h PHE 124 N -0.99 -0.07 -0.69 4.33 3.57 0.54 -2.09 116.94 121.54 1nya h PHE 124 Ca -0.11 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.45 1nya h PHE 124 Cb 1.11 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.86 1nya h PHE 124 CO 0.22 -0.06 0.41 0.00 -2.23 0.00 0.00 178.31 176.64 1nya h ALA 125 N 1.19 0.92 -0.78 2.41 0.00 -1.41 0.31 119.26 121.90 1nya h ALA 125 Ca 0.10 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1nya h ALA 125 Cb 0.14 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1nya h ALA 125 CO -0.19 0.13 0.51 0.00 0.00 0.00 0.00 179.25 179.70 1nya h ALA 126 N 1.33 1.61 0.17 0.00 0.00 -1.32 -1.44 119.26 119.62 1nya h ALA 126 Ca 0.30 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.90 1nya h ALA 126 Cb 0.12 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 17.70 1nya h ALA 126 CO -0.15 0.28 -1.32 2.35 0.00 0.00 0.00 179.25 180.41 1nya h TRP 127 N 0.87 0.67 -0.85 0.00 7.01 -0.74 -3.14 115.95 119.77 1nya h TRP 127 Ca 0.33 -0.49 0.03 0.00 2.11 0.00 0.00 58.89 60.87 1nya h TRP 127 Cb 0.19 -0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 27.18 1nya h TRP 127 CO -0.00 1.51 0.56 -0.07 -2.79 0.00 0.00 178.44 177.65 1nya h LEU 128 N -0.13 0.94 -1.22 0.65 3.38 -0.78 0.22 115.31 118.37 1nya h LEU 128 Ca -0.25 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1nya h LEU 128 Cb 1.90 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 1nya h LEU 128 CO 0.17 0.66 -0.25 0.71 0.09 0.00 0.00 178.44 179.81 1nya h THR 129 N 1.09 0.67 -0.47 0.22 1.35 -1.38 -1.62 112.91 112.76 1nya h THR 129 Ca 0.33 -1.12 -0.10 0.00 -0.55 0.00 0.00 66.41 64.97 1nya h THR 129 Cb -0.02 1.73 -0.02 0.00 -1.73 0.00 0.00 68.15 68.11 1nya h THR 129 CO -0.09 0.25 -0.10 0.00 -0.25 0.00 0.00 175.52 175.33 1nya h ALA 130 N 1.75 0.94 -0.03 6.62 0.00 -0.90 -2.91 119.26 124.72 1nya h ALA 130 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1nya h ALA 130 Cb 0.71 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1nya h ALA 130 CO 0.03 0.62 0.00 1.28 0.00 0.00 0.00 179.25 181.19 1nya n LEU 131 N -4.16 0.66 0.00 0.00 4.77 -1.08 -4.87 117.00 112.32 1nya n LEU 131 Ca 0.02 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1nya n LEU 131 Cb 0.37 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1nya n LEU 131 CO 0.44 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1nya n GLY 132 N 1.02 1.26 3.93 -0.72 0.00 -1.10 -5.11 105.19 104.47 1nya n GLY 132 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1nya n GLY 132 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1nya s MET 133 N -0.00 3.51 0.84 1.61 -1.94 -0.63 -5.01 119.30 117.67 1nya s MET 133 Ca 0.00 -0.39 -0.12 0.00 -1.71 0.00 0.00 55.69 53.47 1nya s MET 133 Cb 0.00 -2.82 0.11 0.00 2.01 0.00 0.00 34.83 34.13 1nya s MET 133 CO 0.00 0.37 1.20 -1.12 -0.01 0.00 0.00 175.02 175.46 1nya s SER 134 N -3.37 4.17 0.27 3.03 0.01 -1.26 -4.08 113.70 112.47 1nya s SER 134 Ca 0.38 0.61 0.14 0.00 1.31 0.00 0.00 55.95 58.39 1nya s SER 134 Cb -0.11 -1.00 0.17 0.00 0.21 0.00 0.00 66.02 65.29 1nya s SER 134 CO 0.30 -2.09 1.49 0.11 0.41 0.00 0.00 173.24 173.45 1nya h LYS 135 N -1.17 0.00 0.00 12.44 1.57 -1.97 -3.21 116.57 124.23 1nya h LYS 135 Ca -0.45 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.11 1nya h LYS 135 Cb 1.30 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.58 1nya h LYS 135 CO 0.58 0.59 -1.05 0.00 -0.57 0.00 0.00 179.45 179.01 1nya h ALA 136 N 1.41 0.41 -0.25 3.86 0.00 -2.01 -3.30 119.26 119.38 1nya h ALA 136 Ca -0.01 -0.94 -0.18 0.00 0.00 0.00 0.00 54.91 53.78 1nya h ALA 136 Cb 1.34 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1nya h ALA 136 CO 0.08 1.25 -0.55 0.93 0.00 0.00 0.00 179.25 180.96 1nya h GLU 137 N 0.00 0.77 0.45 0.00 3.07 -1.96 -3.14 114.58 113.77 1nya h GLU 137 Ca -0.04 -0.49 -0.02 0.00 -0.50 0.00 0.00 59.36 58.31 1nya h GLU 137 Cb 1.77 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.74 1nya h GLU 137 CO 0.12 1.11 -0.23 0.00 -1.40 0.00 0.00 179.01 178.62 1nya h ALA 138 N 0.79 -0.62 -0.85 3.43 0.00 -1.66 0.22 119.26 120.57 1nya h ALA 138 Ca 0.01 -0.13 0.21 0.00 0.00 0.00 0.00 54.91 55.00 1nya h ALA 138 Cb 1.14 0.25 -0.13 0.00 0.00 0.00 0.00 17.79 19.05 1nya h ALA 138 CO 0.12 -0.85 0.28 0.00 0.00 0.00 0.00 179.25 178.79 1nya h ALA 139 N -0.06 1.25 -0.17 0.00 0.00 -1.63 0.64 119.26 119.28 1nya h ALA 139 Ca -0.06 0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1nya h ALA 139 Cb 0.48 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1nya h ALA 139 CO 0.09 -0.39 -0.27 1.49 0.00 0.00 0.00 179.25 180.17 1nya h GLU 140 N 0.29 0.48 -0.76 0.00 4.81 -1.43 -3.16 114.58 114.81 1nya h GLU 140 Ca 0.52 -0.29 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 1nya h GLU 140 Cb 0.99 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 1nya h GLU 140 CO -0.57 0.89 0.25 0.00 -0.73 0.00 0.00 179.01 178.85 1nya h ALA 141 N 0.59 1.01 0.35 2.92 0.00 0.13 -2.51 119.26 121.75 1nya h ALA 141 Ca 0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1nya h ALA 141 Cb 0.85 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1nya h ALA 141 CO 0.06 0.67 -0.44 0.35 0.00 0.00 0.00 179.25 179.89 1nya h PHE 142 N 1.13 -1.23 -0.59 0.00 3.57 0.15 -1.93 116.94 118.04 1nya h PHE 142 Ca 0.25 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.86 1nya h PHE 142 Cb 0.29 0.49 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 1nya h PHE 142 CO 0.02 -0.59 0.40 -0.91 -2.23 0.00 0.00 178.31 175.00 1nya h ASN 143 N -0.84 0.38 -0.37 0.41 4.21 -1.51 -1.82 115.58 116.04 1nya h ASN 143 Ca -0.03 0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.41 1nya h ASN 143 Cb 0.77 -0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 37.87 1nya h ASN 143 CO -0.12 0.23 -0.04 1.56 -1.29 0.00 0.00 177.43 177.78 1nya h GLN 144 N 0.42 0.77 0.00 0.81 4.20 -0.92 -3.11 115.11 117.29 1nya h GLN 144 Ca 0.27 -0.22 -0.20 0.00 0.06 0.00 0.00 58.65 58.56 1nya h GLN 144 Cb 0.51 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1nya h GLN 144 CO -0.07 0.81 -1.06 0.28 -0.67 0.00 0.00 178.83 178.11 1nya h VAL 145 N 0.72 1.31 -0.10 -0.54 2.07 -0.63 -3.41 116.25 115.66 1nya h VAL 145 Ca 0.14 -2.96 -0.17 0.00 0.82 0.00 0.00 66.70 64.53 1nya h VAL 145 Cb 0.49 2.63 0.03 0.00 -1.52 0.00 0.00 31.29 32.92 1nya h VAL 145 CO 0.02 0.75 0.44 -0.67 0.02 0.00 0.00 177.57 178.13 1nya n ASP 146 N -3.24 1.47 -0.29 0.57 -0.08 -0.86 -4.68 116.55 109.45 1nya n ASP 146 Ca -0.03 -2.52 0.06 0.00 -1.51 0.00 0.00 54.79 50.79 1nya n ASP 146 Cb 0.91 -1.48 0.28 0.00 2.34 0.00 0.00 41.12 43.18 1nya n ASP 146 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1nya h THR 147 N 6.26 0.99 -0.33 5.18 2.02 -1.85 -0.81 112.91 124.37 1nya h THR 147 Ca 0.08 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1nya h THR 147 Cb 0.93 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1nya h THR 147 CO 1.25 0.17 0.00 -0.46 0.37 0.00 0.00 175.52 176.85 1nya n ASN 148 N -4.52 2.32 -3.68 4.18 0.23 -1.26 -4.93 115.26 107.60 1nya n ASN 148 Ca 0.15 -1.88 -0.26 0.00 -0.53 0.00 0.00 54.58 52.05 1nya n ASN 148 Cb 0.28 -0.21 -0.05 0.00 -2.08 0.00 0.00 39.78 37.72 1nya n ASN 148 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nya n GLY 149 N 1.24 -0.41 0.37 4.83 0.00 -0.31 -4.75 105.19 106.15 1nya n GLY 149 Ca 0.16 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.35 1nya n GLY 149 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nya n ASN 150 N -1.98 1.45 0.00 1.61 6.94 -1.26 -4.94 115.26 117.07 1nya n ASN 150 Ca 0.07 -1.18 0.00 0.00 -0.02 0.00 0.00 54.58 53.46 1nya n ASN 150 Cb 0.44 0.23 0.00 0.00 -2.36 0.00 0.00 39.78 38.09 1nya n ASN 150 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1nya n GLY 151 N 1.35 0.75 2.98 4.83 0.00 -1.26 -5.04 105.19 108.80 1nya n GLY 151 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 1nya n GLY 151 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nya s GLU 152 N -0.48 1.02 -0.48 1.61 2.02 -1.26 -4.60 118.70 116.53 1nya s GLU 152 Ca 0.00 -0.27 -0.17 0.00 0.02 0.00 0.00 54.97 54.56 1nya s GLU 152 Cb 0.00 -0.94 0.07 0.00 0.10 0.00 0.00 34.13 33.36 1nya s GLU 152 CO 0.00 0.05 0.46 -0.51 0.02 0.00 0.00 175.26 175.28 1nya s LEU 153 N 0.43 5.40 0.47 1.80 1.43 -0.50 -4.91 118.68 122.81 1nya s LEU 153 Ca -0.07 -1.18 -0.02 0.00 -1.03 0.00 0.00 54.13 51.84 1nya s LEU 153 Cb -0.11 -2.26 -0.01 0.00 0.03 0.00 0.00 46.19 43.84 1nya s LEU 153 CO 0.01 -0.71 0.72 -0.55 0.23 0.00 0.00 176.35 176.04 1nya s SER 154 N 2.58 5.92 0.28 2.29 0.15 -1.26 -0.41 113.70 123.25 1nya s SER 154 Ca 0.08 0.50 0.01 0.00 0.70 0.00 0.00 55.95 57.23 1nya s SER 154 Cb -0.22 -1.75 0.64 0.00 -1.71 0.00 0.00 66.02 62.97 1nya s SER 154 CO 0.08 -0.70 1.70 0.25 1.20 0.00 0.00 173.24 175.78 1nya h LEU 155 N 0.30 0.28 0.64 3.45 7.12 -1.98 -0.25 115.31 124.88 1nya h LEU 155 Ca -0.47 0.14 -0.02 0.00 0.13 0.00 0.00 57.88 57.66 1nya h LEU 155 Cb 1.24 0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 41.49 1nya h LEU 155 CO 0.59 0.02 -0.48 0.44 -0.13 0.00 0.00 178.44 178.88 1nya h ASP 156 N 0.40 -1.27 0.37 1.25 3.32 -1.99 -2.06 116.42 116.43 1nya h ASP 156 Ca 0.51 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.65 1nya h ASP 156 Cb 0.92 0.40 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1nya h ASP 156 CO -0.50 -0.70 0.00 -0.33 -1.72 0.00 0.00 179.24 175.99 1nya h GLU 157 N -1.09 0.00 0.18 3.56 5.08 -1.77 -2.90 114.58 117.64 1nya h GLU 157 Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1nya h GLU 157 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1nya h GLU 157 CO 0.03 0.00 -0.09 -0.07 -1.00 0.00 0.00 179.01 177.88 1nya h LEU 158 N 0.00 -0.20 -0.97 1.33 3.38 -0.38 -3.10 115.31 115.36 1nya h LEU 158 Ca 0.00 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.65 1nya h LEU 158 Cb 0.18 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1nya h LEU 158 CO 0.00 0.28 0.64 -0.07 0.09 0.00 0.00 178.44 179.39 1nya h LEU 159 N -0.77 1.11 0.19 1.67 3.38 -1.24 -1.30 115.31 118.35 1nya h LEU 159 Ca -0.02 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1nya h LEU 159 Cb 0.52 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1nya h LEU 159 CO 0.04 0.81 -0.52 0.74 0.09 0.00 0.00 178.44 179.60 1nya h THR 160 N 1.31 0.00 0.35 0.22 2.02 -1.58 1.41 112.91 116.64 1nya h THR 160 Ca 0.35 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.52 1nya h THR 160 Cb -0.15 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.26 1nya h THR 160 CO -0.08 0.00 -0.17 0.00 0.37 0.00 0.00 175.52 175.65 1nya h ALA 161 N -0.63 -0.47 -0.86 6.16 0.00 -1.45 -2.82 119.26 119.19 1nya h ALA 161 Ca -0.02 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.88 1nya h ALA 161 Cb 0.77 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1nya h ALA 161 CO -0.24 -0.75 0.56 0.28 0.00 0.00 0.00 179.25 179.09 1nya h VAL 162 N -0.50 0.95 0.00 0.00 2.07 -1.05 -3.29 116.25 114.43 1nya h VAL 162 Ca -0.05 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1nya h VAL 162 Cb 0.38 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1nya h VAL 162 CO 0.08 0.15 0.00 -1.14 0.02 0.00 0.00 177.57 176.68 1nya n ARG 163 N -4.52 0.00 -2.34 1.57 0.63 0.48 -4.31 116.66 108.16 1nya n ARG 163 Ca 0.15 0.36 -0.32 0.00 -0.92 0.00 0.00 57.85 57.12 1nya n ARG 163 Cb 0.33 -0.91 -0.03 0.00 0.45 0.00 0.00 32.46 32.30 1nya n ARG 163 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1nya s ASP 164 N -2.89 6.55 0.00 6.15 1.01 -1.24 -4.95 116.67 121.30 1nya s ASP 164 Ca 0.00 1.52 0.00 0.00 0.71 0.00 0.00 52.55 54.78 1nya s ASP 164 Cb 0.00 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.44 1nya s ASP 164 CO 0.00 -0.62 0.00 2.22 0.21 0.00 0.00 175.17 176.98 1nya n PHE 165 N -1.76 0.00 0.00 4.23 1.16 -1.26 -4.58 117.46 115.25 1nya n PHE 165 Ca 0.06 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.61 1nya n PHE 165 Cb 0.54 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.40 1nya n PHE 165 CO 0.00 0.00 0.00 0.72 -1.87 0.00 0.00 176.76 175.61 1nya n HIS 166 N 0.00 0.00 1.44 2.97 -0.00 -1.26 -4.66 115.22 113.71 1nya n HIS 166 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.74 1nya n HIS 166 Cb 0.00 -0.17 0.07 0.00 -0.00 0.00 0.00 29.99 29.89 1nya n HIS 166 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1nya n PHE 167 N -3.77 0.22 0.00 4.41 3.72 -1.26 -4.76 117.46 116.01 1nya n PHE 167 Ca -0.05 -0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 1nya n PHE 167 Cb 0.17 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 1nya n PHE 167 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nya n GLY 168 N 0.66 0.38 0.59 1.37 0.00 -1.26 -5.10 105.19 101.83 1nya n GLY 168 Ca 0.05 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 1nya n GLY 168 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1nya n ARG 169 N 0.00 0.28 0.00 1.61 0.00 -1.26 -4.94 116.66 112.35 1nya n ARG 169 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 57.85 57.97 1nya n ARG 169 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 32.46 31.49 1nya n ARG 169 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1nya n LEU 170 N -3.64 0.00 -0.04 6.15 7.94 -1.26 -4.99 117.00 121.17 1nya n LEU 170 Ca -0.25 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 54.81 1nya n LEU 170 Cb 0.65 0.00 0.91 0.00 0.53 0.00 0.00 43.42 45.50 1nya n LEU 170 CO 0.02 0.00 1.08 0.47 -1.11 0.00 0.00 177.39 177.86 1nya n ASP 171 N 0.00 0.11 0.00 1.96 9.92 -1.26 -4.30 116.55 122.98 1nya n ASP 171 Ca 0.00 -1.05 0.00 0.00 -0.53 0.00 0.00 54.79 53.21 1nya n ASP 171 Cb 0.00 -0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1nya n ASP 171 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1nya n VAL 172 N -0.91 0.00 -3.84 2.53 0.31 -1.26 -4.93 118.33 110.23 1nya n VAL 172 Ca 0.23 0.46 -0.32 0.00 -0.01 0.00 0.00 64.34 64.70 1nya n VAL 172 Cb 0.13 -0.94 0.02 0.00 -0.91 0.00 0.00 33.84 32.13 1nya n VAL 172 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1nya n GLU 173 N -0.45 -1.68 -3.41 5.55 4.71 -1.26 -4.95 120.64 119.14 1nya n GLU 173 Ca 0.00 0.37 -0.33 0.00 -0.01 0.00 0.00 57.16 57.19 1nya n GLU 173 Cb 0.00 -3.98 -0.05 0.00 -1.01 0.00 0.00 31.44 26.39 1nya n GLU 173 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1nya s LEU 174 N -6.80 4.24 0.00 -4.62 0.20 -1.26 -5.02 118.68 105.43 1nya s LEU 174 Ca 0.33 0.96 0.00 0.00 0.69 0.00 0.00 54.13 56.10 1nya s LEU 174 Cb -0.13 -3.47 0.00 0.00 -0.43 0.00 0.00 46.19 42.16 1nya s LEU 174 CO 0.89 0.01 0.00 -0.11 -0.29 0.00 0.00 176.35 176.85 1nya n LEU 175 N 0.28 0.00 0.00 -0.68 0.00 -1.26 -4.87 117.00 110.47 1nya n LEU 175 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.99 1nya n LEU 175 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.94 1nya n LEU 175 CO 0.44 0.00 0.24 0.61 0.00 0.00 0.00 177.39 178.68