#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 0.52 -0.69 12.58 -1.04 -1.26 -5.05 114.28 119.34 1nya n THR 2 Ca 0.00 0.17 -0.32 0.00 -2.04 0.00 0.00 64.05 61.86 1nya n THR 2 Cb 0.00 -1.13 0.16 0.00 -1.82 0.00 0.00 70.33 67.54 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 -2.99 -4.05 0.09 2.41 0.00 -1.26 -4.92 120.51 109.80 1nya n ALA 3 Ca 0.00 -1.30 -0.14 0.00 0.00 0.00 0.00 53.44 52.00 1nya n ALA 3 Cb 0.00 -1.37 -0.12 0.00 0.00 0.00 0.00 19.45 17.96 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 -2.04 1.52 0.00 0.00 1.08 -1.98 -3.28 117.51 112.80 1nya h ILE 4 Ca -0.49 -3.03 -0.02 0.00 -0.39 0.00 0.00 64.86 60.92 1nya h ILE 4 Cb 1.31 2.86 -0.00 0.00 -3.07 0.00 0.00 36.82 37.92 1nya h ILE 4 CO 0.34 0.88 -0.10 0.00 -0.69 0.00 0.00 178.15 178.58 1nya h ALA 5 N 0.67 1.80 -0.62 1.87 0.00 -1.91 -2.63 119.26 118.43 1nya h ALA 5 Ca -0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1nya h ALA 5 Cb 1.88 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.63 1nya h ALA 5 CO 0.19 0.13 0.35 0.77 0.00 0.00 0.00 179.25 180.69 1nya h SER 6 N 0.00 0.76 -0.33 0.00 0.02 -1.92 -1.96 113.55 110.12 1nya h SER 6 Ca -0.00 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1nya h SER 6 Cb 0.18 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1nya h SER 6 CO 0.01 0.62 0.13 0.44 -1.14 0.00 0.00 176.83 176.90 1nya h ASP 7 N 0.84 0.46 -0.56 3.07 5.19 -1.63 0.39 116.42 124.19 1nya h ASP 7 Ca 0.22 -0.17 -0.02 0.00 -0.62 0.00 0.00 57.03 56.44 1nya h ASP 7 Cb 0.02 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.38 1nya h ASP 7 CO -0.04 0.51 0.28 -0.09 -3.12 0.00 0.00 179.24 176.78 1nya h ARG 8 N 0.39 0.80 0.06 3.56 9.65 -1.46 -2.10 114.38 125.27 1nya h ARG 8 Ca 0.11 -0.11 -0.26 0.00 -1.10 0.00 0.00 59.98 58.62 1nya h ARG 8 Cb 0.19 -0.15 0.01 0.00 -1.39 0.00 0.00 29.97 28.63 1nya h ARG 8 CO -0.01 0.64 -1.09 -0.07 2.80 0.00 0.00 179.97 182.24 1nya h LEU 9 N 0.75 0.59 0.65 3.80 3.38 -1.27 -3.00 115.31 120.21 1nya h LEU 9 Ca 0.19 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 1nya h LEU 9 Cb 0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1nya h LEU 9 CO -0.03 1.35 -0.37 0.50 0.09 0.00 0.00 178.44 179.98 1nya h LYS 10 N 0.20 -0.92 -0.56 1.13 3.11 -0.11 -2.90 116.57 116.52 1nya h LYS 10 Ca -0.12 0.06 0.06 0.00 -2.81 0.00 0.00 60.65 57.84 1nya h LYS 10 Cb 1.76 0.21 -0.05 0.00 -1.00 0.00 0.00 32.23 33.15 1nya h LYS 10 CO 0.19 -0.61 0.27 0.87 -2.81 0.00 0.00 179.45 177.36 1nya h LYS 11 N -0.96 0.49 -1.23 1.90 1.57 -1.51 -0.85 116.57 115.99 1nya h LYS 11 Ca -0.08 -0.03 0.36 0.00 -1.87 0.00 0.00 60.65 59.02 1nya h LYS 11 Cb 0.76 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.91 1nya h LYS 11 CO 0.10 0.33 0.88 0.00 -0.57 0.00 0.00 179.45 180.19 1nya h ARG 12 N 0.51 0.02 0.27 3.15 3.08 -1.36 1.25 114.38 121.30 1nya h ARG 12 Ca 0.26 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 1nya h ARG 12 Cb 0.21 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1nya h ARG 12 CO -0.20 0.01 -0.13 0.35 -1.07 0.00 0.00 179.97 178.93 1nya h PHE 13 N 0.02 -0.34 0.00 3.04 3.57 -0.96 -3.27 116.94 119.01 1nya h PHE 13 Ca 0.59 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.08 1nya h PHE 13 Cb 2.32 0.11 0.00 0.00 2.79 0.00 0.00 35.95 41.17 1nya h PHE 13 CO -0.00 -0.14 0.00 -3.47 -2.23 0.00 0.00 178.31 172.47 1nya n ASP 14 N -5.01 0.62 0.24 0.41 2.03 -0.46 -2.34 116.55 112.04 1nya n ASP 14 Ca -0.05 0.66 0.12 0.00 0.52 0.00 0.00 54.79 56.04 1nya n ASP 14 Cb 0.18 -0.79 0.46 0.00 -0.72 0.00 0.00 41.12 40.25 1nya n ASP 14 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1nya h ARG 15 N 0.00 0.00 0.00 -0.67 2.43 0.15 -3.41 114.38 112.88 1nya h ARG 15 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1nya h ARG 15 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1nya h ARG 15 CO 0.00 0.13 0.00 0.91 -1.51 0.00 0.00 179.97 179.50 1nya n TRP 16 N -3.22 0.00 -3.70 2.20 8.01 -0.99 -5.01 117.44 114.73 1nya n TRP 16 Ca 0.01 0.00 -0.30 0.00 -1.31 0.00 0.00 57.50 55.90 1nya n TRP 16 Cb 0.42 0.00 0.01 0.00 -2.01 0.00 0.00 31.31 29.74 1nya n TRP 16 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1nya n ASP 17 N 0.00 -5.06 -0.03 -0.99 8.00 -1.24 -4.85 116.55 112.38 1nya n ASP 17 Ca 0.00 -0.70 -0.08 0.00 0.71 0.00 0.00 54.79 54.72 1nya n ASP 17 Cb 0.00 -1.65 -0.02 0.00 -0.02 0.00 0.00 41.12 39.43 1nya n ASP 17 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1nya h PHE 18 N 0.51 -0.31 0.00 1.24 -1.00 -1.92 -3.00 116.94 112.46 1nya h PHE 18 Ca -0.62 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.19 1nya h PHE 18 Cb 1.41 0.17 0.00 0.00 3.61 0.00 0.00 35.95 41.14 1nya h PHE 18 CO 0.15 -0.19 -1.27 -0.40 -1.61 0.00 0.00 178.31 175.00 1nya n ASP 19 N -5.28 0.67 -1.28 2.17 5.75 -1.26 -5.00 116.55 112.31 1nya n ASP 19 Ca -0.02 -0.62 -0.03 0.00 -0.01 0.00 0.00 54.79 54.11 1nya n ASP 19 Cb 0.20 1.24 0.01 0.00 -1.03 0.00 0.00 41.12 41.54 1nya n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nya n GLY 20 N 1.42 0.41 0.02 6.12 0.00 -1.13 -4.97 105.19 107.06 1nya n GLY 20 Ca 0.02 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.82 0.71 0.00 1.61 6.94 -1.26 -4.95 115.26 117.49 1nya n ASN 21 Ca -0.03 -0.53 0.00 0.00 -0.02 0.00 0.00 54.58 53.99 1nya n ASN 21 Cb 0.52 0.47 0.00 0.00 -2.36 0.00 0.00 39.78 38.41 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 0.38 3.70 4.83 0.00 -1.26 -5.02 105.19 109.31 1nya n GLY 22 Ca 0.05 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.33 -0.19 4.61 0.00 -1.26 -4.79 121.76 117.81 1nya s ALA 23 Ca 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 1nya s ALA 23 Cb 0.00 0.88 -0.00 0.00 0.00 0.00 0.00 23.12 24.00 1nya s ALA 23 CO 0.00 -0.92 -0.11 -0.51 0.00 0.00 0.00 175.76 174.21 1nya s LEU 24 N -3.09 2.60 0.42 0.00 1.43 -0.95 -4.87 118.68 114.24 1nya s LEU 24 Ca 0.20 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.89 1nya s LEU 24 Cb -0.03 -1.63 -0.06 0.00 0.03 0.00 0.00 46.19 44.50 1nya s LEU 24 CO 0.13 0.03 0.02 -1.61 0.23 0.00 0.00 176.35 175.14 1nya s GLU 25 N 1.18 1.98 0.27 1.70 2.02 -1.26 -2.48 118.70 122.11 1nya s GLU 25 Ca 0.02 -2.16 0.03 0.00 0.02 0.00 0.00 54.97 52.87 1nya s GLU 25 Cb -0.14 -1.47 0.39 0.00 0.10 0.00 0.00 34.13 33.01 1nya s GLU 25 CO -0.04 -0.17 1.69 -0.09 0.02 0.00 0.00 175.26 176.68 1nya h ARG 26 N 1.71 0.43 0.00 1.61 9.65 -1.83 -2.47 114.38 123.49 1nya h ARG 26 Ca -0.43 -0.18 -0.00 0.00 -1.10 0.00 0.00 59.98 58.26 1nya h ARG 26 Cb 1.26 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.82 1nya h ARG 26 CO 0.77 0.70 -0.01 0.00 2.80 0.00 0.00 179.97 184.23 1nya h ALA 27 N 1.29 1.05 -0.08 2.80 0.00 -1.96 -1.58 119.26 120.78 1nya h ALA 27 Ca 0.05 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1nya h ALA 27 Cb 0.74 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1nya h ALA 27 CO 0.06 0.02 -0.56 -0.44 0.00 0.00 0.00 179.25 178.32 1nya h ASP 28 N 0.00 0.29 0.30 0.00 3.32 -1.85 -2.50 116.42 115.98 1nya h ASP 28 Ca -0.00 -0.15 -0.26 0.00 0.02 0.00 0.00 57.03 56.64 1nya h ASP 28 Cb 0.22 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.70 1nya h ASP 28 CO 0.00 0.79 -1.09 -0.26 -1.72 0.00 0.00 179.24 176.96 1nya h PHE 29 N 0.20 0.74 -0.74 4.55 -1.00 -1.38 -2.94 116.94 116.36 1nya h PHE 29 Ca -0.00 -0.44 -0.06 0.00 2.81 0.00 0.00 57.97 60.28 1nya h PHE 29 Cb 1.05 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 40.51 1nya h PHE 29 CO 0.02 1.29 0.22 0.93 -1.61 0.00 0.00 178.31 179.16 1nya h GLU 30 N 0.23 1.16 -0.53 1.51 5.08 -1.43 -2.63 114.58 117.97 1nya h GLU 30 Ca -0.12 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 57.88 1nya h GLU 30 Cb 1.75 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.82 1nya h GLU 30 CO 0.19 1.00 -0.07 0.87 -1.00 0.00 0.00 179.01 180.00 1nya h LYS 31 N 1.11 0.96 -0.00 2.33 1.57 -1.50 -3.04 116.57 118.00 1nya h LYS 31 Ca 0.24 -0.32 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1nya h LYS 31 Cb 0.33 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1nya h LYS 31 CO -0.01 0.99 -0.27 1.49 -0.57 0.00 0.00 179.45 181.08 1nya h GLU 32 N 0.87 -0.32 -0.80 3.15 4.57 -1.28 1.02 114.58 121.79 1nya h GLU 32 Ca 0.15 0.02 0.19 0.00 -1.18 0.00 0.00 59.36 58.53 1nya h GLU 32 Cb 0.60 0.07 -0.14 0.00 -0.16 0.00 0.00 28.75 29.12 1nya h GLU 32 CO 0.04 -0.22 -0.01 0.00 -1.18 0.00 0.00 179.01 177.64 1nya h ALA 33 N -0.96 0.82 0.43 2.92 0.00 -1.55 0.84 119.26 121.76 1nya h ALA 33 Ca 0.01 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1nya h ALA 33 Cb 0.36 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1nya h ALA 33 CO -0.18 -0.44 -0.21 1.96 0.00 0.00 0.00 179.25 180.38 1nya h GLN 34 N 0.08 -0.56 -0.88 0.00 4.20 -1.22 0.39 115.11 117.12 1nya h GLN 34 Ca 0.44 0.04 0.11 0.00 0.06 0.00 0.00 58.65 59.30 1nya h GLN 34 Cb 0.79 0.13 -0.08 0.00 0.30 0.00 0.00 27.48 28.61 1nya h GLN 34 CO -0.72 -0.33 0.51 1.25 -0.67 0.00 0.00 178.83 178.87 1nya h HIS 35 N -0.67 0.91 0.48 2.96 2.76 0.30 -2.25 115.15 119.65 1nya h HIS 35 Ca -0.06 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 1nya h HIS 35 Cb 0.49 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.18 1nya h HIS 35 CO -0.03 0.34 -0.23 0.82 -1.30 0.00 0.00 177.93 177.53 1nya h ILE 36 N 0.81 0.40 -0.98 6.26 1.08 0.87 -3.13 117.51 122.83 1nya h ILE 36 Ca 0.44 -0.44 0.33 0.00 -0.39 0.00 0.00 64.86 64.80 1nya h ILE 36 Cb 0.46 0.56 -0.17 0.00 -3.07 0.00 0.00 36.82 34.61 1nya h ILE 36 CO -0.28 0.06 0.38 0.00 -0.69 0.00 0.00 178.15 177.62 1nya h ALA 37 N -0.62 1.74 -0.89 1.87 0.00 0.13 1.01 119.26 122.48 1nya h ALA 37 Ca -0.07 0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1nya h ALA 37 Cb 0.59 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1nya h ALA 37 CO 0.11 -0.69 0.59 0.93 0.00 0.00 0.00 179.25 180.19 1nya h GLU 38 N 0.12 1.14 0.00 0.00 5.08 -1.37 -1.18 114.58 118.37 1nya h GLU 38 Ca 0.71 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 59.00 1nya h GLU 38 Cb 1.68 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 30.67 1nya h GLU 38 CO -0.74 0.75 -0.01 0.00 -1.00 0.00 0.00 179.01 178.01 1nya h ALA 39 N 1.46 1.72 -0.10 3.43 0.00 0.11 0.74 119.26 126.63 1nya h ALA 39 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1nya h ALA 39 Cb -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1nya h ALA 39 CO -0.08 0.01 0.00 1.19 0.00 0.00 0.00 179.25 180.36 1nya n PHE 40 N -4.14 0.11 -1.32 0.00 3.72 -0.46 -4.92 117.46 110.45 1nya n PHE 40 Ca -0.03 -0.06 -0.12 0.00 -0.05 0.00 0.00 57.45 57.20 1nya n PHE 40 Cb 0.09 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.58 1nya n PHE 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nya n GLY 41 N 1.17 1.12 3.37 1.37 0.00 0.25 -4.91 105.19 107.57 1nya n GLY 41 Ca 0.18 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.96 3.43 0.00 1.61 -0.14 -1.20 -5.01 119.74 115.47 1nya s LYS 42 Ca 0.00 -1.96 0.00 0.00 -1.36 0.00 0.00 55.97 52.65 1nya s LYS 42 Cb 0.00 -4.52 0.00 0.00 -1.68 0.00 0.00 37.83 31.63 1nya s LYS 42 CO 0.00 -1.49 0.00 -3.47 -0.76 0.00 0.00 175.35 169.63 1nya n ASP 43 N 5.32 0.00 0.11 2.83 -0.08 -1.26 -4.74 116.55 118.73 1nya n ASP 43 Ca 0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 1nya n ASP 43 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 1nya n ASP 43 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nya n ALA 44 N 1.21 3.00 -0.78 -1.67 0.00 -1.26 -4.51 120.51 116.50 1nya n ALA 44 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1nya n ALA 44 Cb 0.00 0.01 0.19 0.00 0.00 0.00 0.00 19.45 19.65 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 1.53 3.77 0.00 0.00 0.00 -1.26 -4.68 105.19 104.55 1nya n GLY 45 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.55 0.00 -0.07 4.61 0.00 -1.26 -4.86 120.51 118.38 1nya n ALA 46 Ca 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.78 1nya n ALA 46 Cb 1.38 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.74 1nya n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nya h ALA 47 N -2.00 0.01 -0.03 0.00 0.00 -1.97 -3.06 119.26 112.22 1nya h ALA 47 Ca 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1nya h ALA 47 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1nya h ALA 47 CO 0.00 0.05 0.03 0.93 0.00 0.00 0.00 179.25 180.26 1nya h GLU 48 N -1.00 0.00 0.02 0.00 4.39 -1.97 -0.44 114.58 115.59 1nya h GLU 48 Ca -0.02 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.49 1nya h GLU 48 Cb 0.70 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.36 1nya h GLU 48 CO -0.01 0.00 -0.74 0.28 -1.16 0.00 0.00 179.01 177.38 1nya h VAL 49 N 0.00 1.40 -0.73 3.13 2.07 -1.86 -2.06 116.25 118.20 1nya h VAL 49 Ca 0.01 -2.18 -0.01 0.00 0.82 0.00 0.00 66.70 65.35 1nya h VAL 49 Cb 0.07 2.63 -0.04 0.00 -1.52 0.00 0.00 31.29 32.43 1nya h VAL 49 CO -0.00 0.64 0.43 -0.61 0.02 0.00 0.00 177.57 178.05 1nya h GLN 50 N -0.02 1.00 0.68 1.57 5.75 -1.25 -0.86 115.11 121.97 1nya h GLN 50 Ca -0.10 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 58.27 1nya h GLN 50 Cb 1.45 -0.21 0.01 0.00 1.07 0.00 0.00 27.48 29.80 1nya h GLN 50 CO 0.14 0.72 -0.33 1.15 -2.65 0.00 0.00 178.83 177.86 1nya h THR 51 N 1.00 0.32 0.14 2.39 2.02 -1.13 0.64 112.91 118.30 1nya h THR 51 Ca 0.26 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.46 1nya h THR 51 Cb -0.01 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 66.67 1nya h THR 51 CO -0.05 0.00 -0.46 0.25 0.37 0.00 0.00 175.52 175.63 1nya h LEU 52 N -0.92 -1.36 -1.01 2.58 5.85 -1.19 -0.73 115.31 118.53 1nya h LEU 52 Ca -0.09 0.15 0.19 0.00 0.84 0.00 0.00 57.88 58.96 1nya h LEU 52 Cb 0.71 0.51 -0.11 0.00 0.37 0.00 0.00 40.66 42.14 1nya h LEU 52 CO 0.15 -0.53 0.61 0.50 -0.34 0.00 0.00 178.44 178.84 1nya h LYS 53 N -0.71 0.76 -0.88 1.25 3.64 -1.14 0.95 116.57 120.44 1nya h LYS 53 Ca 0.01 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1nya h LYS 53 Cb 0.72 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.32 1nya h LYS 53 CO -0.25 0.50 0.58 -0.97 -2.27 0.00 0.00 179.45 177.04 1nya h ASN 54 N 0.78 0.97 -0.43 4.20 -1.24 0.51 -2.26 115.58 118.11 1nya h ASN 54 Ca 0.58 -0.01 -0.11 0.00 0.71 0.00 0.00 56.30 57.46 1nya h ASN 54 Cb 0.88 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.68 1nya h ASN 54 CO -0.37 0.68 -0.15 0.00 -1.29 0.00 0.00 177.43 176.29 1nya h ALA 55 N 1.35 0.60 -0.25 1.57 0.00 0.44 -2.76 119.26 120.21 1nya h ALA 55 Ca 0.34 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1nya h ALA 55 Cb -0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1nya h ALA 55 CO -0.10 0.53 0.18 0.74 0.00 0.00 0.00 179.25 180.60 1nya h PHE 56 N 0.70 0.00 -0.04 0.00 0.04 -0.75 -2.37 116.94 114.52 1nya h PHE 56 Ca 0.10 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 1nya h PHE 56 Cb 0.71 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.86 1nya h PHE 56 CO 0.05 0.00 0.00 0.78 -0.60 0.00 0.00 178.31 178.54 1nya h GLY 57 N 0.00 0.07 1.45 -1.45 0.00 -1.12 -3.10 103.07 98.92 1nya h GLY 57 Ca 0.12 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.43 1nya h GLY 57 CO -0.00 0.05 0.29 -1.33 0.00 0.00 0.00 176.54 175.54 1nya h GLY 58 N -0.22 0.51 0.69 4.60 0.00 -1.43 -1.95 103.07 105.27 1nya h GLY 58 Ca 0.01 -0.18 0.13 0.00 0.00 0.00 0.00 47.33 47.29 1nya h GLY 58 CO 0.00 0.15 0.53 -2.00 0.00 0.00 0.00 176.54 175.23 1nya h LEU 59 N 0.45 0.59 -0.51 3.11 5.85 -1.44 -1.11 115.31 122.25 1nya h LEU 59 Ca 0.18 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1nya h LEU 59 Cb 0.15 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1nya h LEU 59 CO -0.04 0.32 0.20 0.15 -0.34 0.00 0.00 178.44 178.73 1nya h PHE 60 N 0.64 0.79 -0.84 1.25 3.04 -1.43 -3.05 116.94 117.34 1nya h PHE 60 Ca 0.40 -0.06 0.18 0.00 3.98 0.00 0.00 57.97 62.46 1nya h PHE 60 Cb 0.64 -0.23 -0.16 0.00 2.56 0.00 0.00 35.95 38.76 1nya h PHE 60 CO -0.00 0.66 -0.14 -0.44 -2.02 0.00 0.00 178.31 176.37 1nya h ASP 61 N 0.69 -0.66 -0.66 0.41 3.32 -1.26 0.88 116.42 119.15 1nya h ASP 61 Ca 0.17 0.24 0.07 0.00 0.02 0.00 0.00 57.03 57.54 1nya h ASP 61 Cb 0.21 0.48 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 1nya h ASP 61 CO -0.01 -0.27 0.43 0.22 -1.72 0.00 0.00 179.24 177.89 1nya h TYR 62 N 0.02 0.62 0.34 4.55 5.03 -1.57 -1.16 116.97 124.81 1nya h TYR 62 Ca 0.43 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.74 1nya h TYR 62 Cb 0.70 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.78 1nya h TYR 62 CO -0.59 0.32 -0.16 -0.07 -1.32 0.00 0.00 178.16 176.33 1nya h LEU 63 N 0.61 -0.39 -0.77 2.82 3.38 0.71 0.78 115.31 122.45 1nya h LEU 63 Ca 0.29 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1nya h LEU 63 Cb 0.35 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 1nya h LEU 63 CO -0.09 -0.04 0.44 0.00 0.09 0.00 0.00 178.44 178.84 1nya h ALA 64 N -0.26 1.07 0.54 1.53 0.00 -0.88 1.13 119.26 122.39 1nya h ALA 64 Ca -0.05 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1nya h ALA 64 Cb 0.51 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1nya h ALA 64 CO 0.08 0.11 -0.26 -0.22 0.00 0.00 0.00 179.25 178.96 1nya h LYS 65 N 0.78 -0.70 -0.75 0.00 3.64 -1.21 1.38 116.57 119.71 1nya h LYS 65 Ca 0.36 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.77 1nya h LYS 65 Cb 0.27 0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 1nya h LYS 65 CO -0.21 -0.40 0.40 1.49 -2.27 0.00 0.00 179.45 178.46 1nya h GLU 66 N -1.06 1.06 0.00 1.90 4.22 -0.68 -2.42 114.58 117.59 1nya h GLU 66 Ca -0.07 -0.13 -0.10 0.00 0.08 0.00 0.00 59.36 59.13 1nya h GLU 66 Cb 0.63 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1nya h GLU 66 CO 0.12 0.80 -0.49 0.00 -2.18 0.00 0.00 179.01 177.26 1nya h ALA 67 N 1.20 0.75 -2.35 2.92 0.00 0.13 -3.48 119.26 118.42 1nya h ALA 67 Ca 0.26 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1nya h ALA 67 Cb 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1nya h ALA 67 CO -0.04 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.24 1nya n GLY 68 N 0.92 0.62 0.00 0.00 0.00 0.41 -5.02 105.19 102.13 1nya n GLY 68 Ca 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.18 0.00 0.00 1.61 0.31 0.21 -5.00 118.33 114.28 1nya n VAL 69 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1nya n VAL 69 Cb 0.50 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 33.11 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 3.99 0.01 0.00 2.92 0.00 -1.26 -4.94 105.19 105.91 1nya n GLY 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nya n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nya n SER 71 N 0.00 0.00 -0.57 1.61 7.64 -1.26 -4.83 113.62 116.21 1nya n SER 71 Ca 0.00 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.94 1nya n SER 71 Cb 0.00 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.31 1nya n SER 71 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1nya n ASP 72 N 0.00 2.52 -0.75 6.43 -0.08 -1.26 -4.66 116.55 118.76 1nya n ASP 72 Ca 0.00 -1.78 0.00 0.00 -1.51 0.00 0.00 54.79 51.50 1nya n ASP 72 Cb 0.00 -0.14 0.00 0.00 2.34 0.00 0.00 41.12 43.32 1nya n ASP 72 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1nya n GLY 73 N 0.57 1.41 3.11 0.27 0.00 -1.26 -5.00 105.19 104.30 1nya n GLY 73 Ca 0.10 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 1nya n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nya s SER 74 N -1.00 0.22 -0.07 1.61 0.01 -1.26 -4.62 113.70 108.60 1nya s SER 74 Ca 0.00 -0.61 0.03 0.00 1.31 0.00 0.00 55.95 56.68 1nya s SER 74 Cb 0.00 0.23 -0.02 0.00 0.21 0.00 0.00 66.02 66.43 1nya s SER 74 CO 0.00 -0.53 -0.16 -0.76 0.41 0.00 0.00 173.24 172.20 1nya s LEU 75 N -2.27 2.60 0.76 2.44 1.02 -1.04 -4.90 118.68 117.29 1nya s LEU 75 Ca -0.03 -0.29 -0.08 0.00 0.02 0.00 0.00 54.13 53.75 1nya s LEU 75 Cb 0.00 -1.53 0.09 0.00 0.02 0.00 0.00 46.19 44.77 1nya s LEU 75 CO -0.06 0.29 1.09 0.42 0.02 0.00 0.00 176.35 178.10 1nya s THR 76 N -0.38 2.18 0.08 5.49 -4.23 -1.26 -2.23 115.64 115.28 1nya s THR 76 Ca 0.04 -0.22 -0.22 0.00 -1.18 0.00 0.00 61.69 60.11 1nya s THR 76 Cb -0.12 -2.96 -0.13 0.00 1.34 0.00 0.00 72.50 70.63 1nya s THR 76 CO 0.02 0.00 1.65 -0.08 -0.54 0.00 0.00 174.62 175.67 1nya h GLU 77 N -0.82 0.12 -0.29 3.99 4.81 -2.00 0.23 114.58 120.61 1nya h GLU 77 Ca -0.44 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 58.83 1nya h GLU 77 Cb 1.30 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 1nya h GLU 77 CO 0.56 0.19 0.20 0.93 -0.73 0.00 0.00 179.01 180.16 1nya h GLU 78 N 0.02 0.16 -0.14 1.92 4.39 -2.01 -1.12 114.58 117.80 1nya h GLU 78 Ca 0.03 -0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.54 1nya h GLU 78 Cb 0.11 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1nya h GLU 78 CO -0.00 0.11 -0.60 1.96 -1.16 0.00 0.00 179.01 179.31 1nya h GLN 79 N 0.17 0.65 -0.04 2.33 7.50 -1.77 -2.98 115.11 120.96 1nya h GLN 79 Ca 0.13 -0.52 0.04 0.00 0.50 0.00 0.00 58.65 58.80 1nya h GLN 79 Cb 0.30 0.10 -0.06 0.00 0.05 0.00 0.00 27.48 27.88 1nya h GLN 79 CO -0.02 1.13 -0.36 0.35 -1.50 0.00 0.00 178.83 178.43 1nya h PHE 80 N 0.31 -1.01 -0.31 2.96 3.57 0.31 0.89 116.94 123.66 1nya h PHE 80 Ca -0.04 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1nya h PHE 80 Cb 1.24 0.45 -0.05 0.00 2.79 0.00 0.00 35.95 40.38 1nya h PHE 80 CO 0.10 -0.44 -0.02 0.82 -2.23 0.00 0.00 178.31 176.54 1nya h ILE 81 N -0.49 0.76 0.42 1.41 2.04 -1.53 1.40 117.51 121.51 1nya h ILE 81 Ca 0.07 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1nya h ILE 81 Cb 0.60 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1nya h ILE 81 CO -0.32 0.01 -0.25 0.03 0.00 0.00 0.00 178.15 177.62 1nya h ARG 82 N 0.07 -0.62 -0.27 2.37 3.08 -1.28 0.47 114.38 118.19 1nya h ARG 82 Ca 0.15 0.04 -0.18 0.00 0.07 0.00 0.00 59.98 60.06 1nya h ARG 82 Cb 0.21 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1nya h ARG 82 CO -0.26 -0.41 -0.52 0.28 -1.07 0.00 0.00 179.97 177.98 1nya h VAL 83 N -0.64 1.28 -0.62 2.04 2.07 -0.66 -3.19 116.25 116.53 1nya h VAL 83 Ca -0.05 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 65.77 1nya h VAL 83 Cb 0.53 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1nya h VAL 83 CO 0.05 0.56 0.40 0.74 0.02 0.00 0.00 177.57 179.33 1nya h THR 84 N 0.61 1.16 -0.53 2.57 2.02 0.19 -2.64 112.91 116.30 1nya h THR 84 Ca 0.01 -0.31 0.10 0.00 0.77 0.00 0.00 66.41 66.98 1nya h THR 84 Cb 1.13 0.27 -0.11 0.00 -1.74 0.00 0.00 68.15 67.70 1nya h THR 84 CO 0.12 0.16 -0.28 -0.33 0.37 0.00 0.00 175.52 175.56 1nya h GLU 85 N 0.84 -0.14 -0.65 6.66 4.39 -0.89 0.76 114.58 125.55 1nya h GLU 85 Ca 0.23 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.94 1nya h GLU 85 Cb -0.08 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 1nya h GLU 85 CO -0.05 -0.10 0.43 -0.91 -1.16 0.00 0.00 179.01 177.23 1nya h ASN 86 N -0.15 0.74 -0.47 1.42 4.21 -1.52 0.38 115.58 120.19 1nya h ASN 86 Ca 0.23 -0.02 0.05 0.00 1.21 0.00 0.00 56.30 57.77 1nya h ASN 86 Cb 0.52 -0.19 -0.04 0.00 -1.12 0.00 0.00 38.32 37.49 1nya h ASN 86 CO -0.61 0.54 0.22 -0.07 -1.29 0.00 0.00 177.43 176.21 1nya h LEU 87 N 0.88 0.29 -0.10 1.61 3.38 -0.53 0.90 115.31 121.75 1nya h LEU 87 Ca 0.24 0.04 -0.24 0.00 0.09 0.00 0.00 57.88 58.00 1nya h LEU 87 Cb -0.10 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.65 1nya h LEU 87 CO -0.05 0.20 -0.89 0.40 0.09 0.00 0.00 178.44 178.19 1nya h ILE 88 N 0.43 1.28 0.00 1.22 2.04 -0.90 -3.42 117.51 118.16 1nya h ILE 88 Ca 0.21 -2.11 0.00 0.00 1.00 0.00 0.00 64.86 63.97 1nya h ILE 88 Cb 0.15 2.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1nya h ILE 88 CO -0.17 0.66 0.00 0.49 0.00 0.00 0.00 178.15 179.13 1nya n PHE 89 N -3.89 0.00 0.00 1.37 3.72 0.08 -4.94 117.46 113.80 1nya n PHE 89 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1nya n PHE 89 Cb 0.81 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.35 1nya n PHE 89 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1nya n GLU 90 N -0.81 -0.61 0.00 -1.08 4.71 0.31 -4.14 120.64 119.01 1nya n GLU 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1nya n GLU 90 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1nya n GLU 90 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1nya n GLN 91 N -1.23 0.00 0.00 3.49 6.02 -1.25 -4.51 117.38 119.91 1nya n GLN 91 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1nya n GLN 91 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1nya n GLN 91 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nya n GLY 92 N 0.00 2.19 0.43 1.08 0.00 -1.26 -4.66 105.19 102.96 1nya n GLY 92 Ca 0.00 -2.13 -0.17 0.00 0.00 0.00 0.00 46.02 43.71 1nya n GLY 92 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nya h GLU 93 N 0.00 -0.89 0.00 1.61 5.08 -1.92 -2.09 114.58 116.36 1nya h GLU 93 Ca 0.00 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1nya h GLU 93 Cb 0.00 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1nya h GLU 93 CO 0.00 -0.59 0.02 0.00 -1.00 0.00 0.00 179.01 177.44 1nya n ALA 94 N -2.66 1.01 0.02 3.43 0.00 -1.26 -2.01 120.51 119.05 1nya n ALA 94 Ca -0.12 0.19 -0.18 0.00 0.00 0.00 0.00 53.44 53.32 1nya n ALA 94 Cb 0.41 -1.27 -0.12 0.00 0.00 0.00 0.00 19.45 18.47 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 0.50 -0.32 0.00 0.87 -1.65 -2.30 113.55 110.65 1nya h SER 95 Ca 0.00 -0.84 -0.18 0.00 -1.23 0.00 0.00 61.79 59.54 1nya h SER 95 Cb 0.04 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1nya h SER 95 CO 0.00 1.28 -0.50 0.15 -0.53 0.00 0.00 176.83 177.24 1nya h PHE 96 N -0.22 1.12 -0.32 2.24 3.57 -1.28 -3.05 116.94 118.99 1nya h PHE 96 Ca -0.10 -0.38 -0.13 0.00 3.53 0.00 0.00 57.97 60.89 1nya h PHE 96 Cb 1.43 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1nya h PHE 96 CO 0.17 1.21 -0.31 -0.97 -2.23 0.00 0.00 178.31 176.18 1nya h ASN 97 N 0.71 0.72 0.26 0.41 -0.73 -1.59 -0.93 115.58 114.43 1nya h ASN 97 Ca 0.03 -0.29 -0.01 0.00 1.87 0.00 0.00 56.30 57.90 1nya h ASN 97 Cb 1.10 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 39.50 1nya h ASN 97 CO 0.11 0.98 -0.13 -0.09 -0.37 0.00 0.00 177.43 177.94 1nya h ARG 98 N 0.59 -0.34 -0.63 6.67 2.43 -1.41 1.25 114.38 122.93 1nya h ARG 98 Ca 0.07 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 1nya h ARG 98 Cb 0.82 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.42 1nya h ARG 98 CO 0.07 -0.23 0.08 -0.24 -1.51 0.00 0.00 179.97 178.14 1nya h VAL 99 N -0.43 1.26 0.00 0.20 3.04 -1.66 -3.15 116.25 115.51 1nya h VAL 99 Ca -0.04 -1.05 -0.12 0.00 -1.01 0.00 0.00 66.70 64.49 1nya h VAL 99 Cb 0.27 0.68 -0.02 0.00 -2.01 0.00 0.00 31.29 30.22 1nya h VAL 99 CO 0.06 0.39 -1.16 0.25 -1.01 0.00 0.00 177.57 176.10 1nya h LEU 100 N 0.98 0.00 -0.97 3.16 5.85 -1.27 -3.39 115.31 119.67 1nya h LEU 100 Ca 0.19 0.00 0.16 0.00 0.84 0.00 0.00 57.88 59.07 1nya h LEU 100 Cb 0.46 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 41.32 1nya h LEU 100 CO 0.02 0.42 -0.36 1.23 -0.34 0.00 0.00 178.44 179.40 1nya h GLY 101 N 3.76 0.17 1.93 3.75 0.00 0.16 1.36 103.07 114.20 1nya h GLY 101 Ca -0.10 0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1nya h GLY 101 CO 0.04 -0.23 0.00 -1.55 0.00 0.00 0.00 176.54 174.80 1nya n PRO 102 N -5.49 0.04 -0.07 4.80 -0.04 -1.26 -2.31 135.00 130.67 1nya n PRO 102 Ca 0.11 0.20 -0.09 0.00 -0.04 0.00 0.00 63.50 63.67 1nya n PRO 102 Cb 0.41 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.29 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 1.06 -0.15 0.52 2.07 0.16 -3.05 116.25 116.86 1nya h VAL 103 Ca 0.00 -1.83 -0.11 0.00 0.82 0.00 0.00 66.70 65.58 1nya h VAL 103 Cb 0.27 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1nya h VAL 103 CO 0.00 0.36 -0.40 0.58 0.02 0.00 0.00 177.57 178.13 1nya h VAL 104 N -1.00 1.31 -0.37 2.57 2.07 -1.40 -3.00 116.25 116.42 1nya h VAL 104 Ca -0.02 -1.52 0.02 0.00 0.82 0.00 0.00 66.70 66.00 1nya h VAL 104 Cb 0.66 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 1nya h VAL 104 CO -0.01 0.46 0.20 0.11 0.02 0.00 0.00 177.57 178.35 1nya h LYS 105 N 0.28 0.41 -0.92 1.57 1.57 -1.60 -1.94 116.57 115.93 1nya h LYS 105 Ca 0.03 -0.02 0.18 0.00 -1.87 0.00 0.00 60.65 58.96 1nya h LYS 105 Cb 0.83 -0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.97 1nya h LYS 105 CO 0.07 0.27 0.59 0.78 -0.57 0.00 0.00 179.45 180.59 1nya h GLY 106 N 0.42 1.21 1.14 3.86 0.00 -1.41 0.75 103.07 109.04 1nya h GLY 106 Ca 0.15 -0.27 -0.22 0.00 0.00 0.00 0.00 47.33 46.99 1nya h GLY 106 CO -0.08 0.02 -0.77 -2.22 0.00 0.00 0.00 176.54 173.49 1nya h ILE 107 N 0.61 1.29 -0.50 2.60 1.08 -1.44 -3.20 117.51 117.95 1nya h ILE 107 Ca 0.48 -1.98 -0.06 0.00 -0.39 0.00 0.00 64.86 62.92 1nya h ILE 107 Cb 0.92 2.05 -0.02 0.00 -3.07 0.00 0.00 36.82 36.70 1nya h ILE 107 CO -0.23 0.62 0.08 0.58 -0.69 0.00 0.00 178.15 178.51 1nya h VAL 108 N 0.47 1.22 -0.88 1.67 2.07 -0.43 -2.25 116.25 118.12 1nya h VAL 108 Ca -0.06 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1nya h VAL 108 Cb 1.40 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1nya h VAL 108 CO 0.16 0.31 0.53 1.23 0.02 0.00 0.00 177.57 179.82 1nya h GLY 109 N 0.95 1.28 2.00 2.17 0.00 -0.92 1.23 103.07 109.78 1nya h GLY 109 Ca 0.16 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 46.87 1nya h GLY 109 CO 0.00 0.52 -0.37 0.00 0.00 0.00 0.00 176.54 176.69 1nya h MET 110 N 1.22 0.00 0.00 4.80 3.00 -1.51 -3.31 114.93 119.12 1nya h MET 110 Ca 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 59.70 59.95 1nya h MET 110 Cb -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 31.54 1nya h MET 110 CO -0.06 0.37 -1.97 0.00 0.00 0.00 0.00 176.91 175.25 1nya s ASP 112 N -4.77 5.14 0.27 0.00 1.11 0.42 -4.78 116.67 114.05 1nya s ASP 112 Ca -0.08 1.19 0.22 0.00 0.18 0.00 0.00 52.55 54.07 1nya s ASP 112 Cb 0.12 -2.51 0.09 0.00 1.07 0.00 0.00 42.92 41.69 1nya s ASP 112 CO 0.89 -2.32 1.21 0.11 1.18 0.00 0.00 175.17 176.23 1nya h LYS 113 N 16.25 0.00 -0.34 8.23 1.79 -1.90 -3.31 116.57 137.29 1nya h LYS 113 Ca -0.31 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 1nya h LYS 113 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1nya h LYS 113 CO 1.09 0.03 0.00 0.27 -1.08 0.00 0.00 179.45 179.76 1nya n ASN 114 N -2.83 2.92 -4.07 0.86 6.94 -1.26 -5.00 115.26 112.82 1nya n ASN 114 Ca 0.01 -1.91 -0.41 0.00 -0.02 0.00 0.00 54.58 52.25 1nya n ASN 114 Cb 0.56 -0.22 -0.00 0.00 -2.36 0.00 0.00 39.78 37.76 1nya n ASN 114 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1nya n ALA 115 N 0.75 -2.45 0.16 -2.53 0.00 -1.25 -4.86 120.51 110.34 1nya n ALA 115 Ca 0.13 -0.49 0.02 0.00 0.00 0.00 0.00 53.44 53.09 1nya n ALA 115 Cb 0.44 -2.37 -0.02 0.00 0.00 0.00 0.00 19.45 17.49 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 -2.42 0.60 -0.02 0.00 5.75 -1.26 -5.00 116.55 114.19 1nya n ASP 116 Ca -0.16 -0.53 -0.00 0.00 -0.01 0.00 0.00 54.79 54.08 1nya n ASP 116 Cb 0.60 1.02 -0.00 0.00 -1.03 0.00 0.00 41.12 41.71 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 1.22 0.46 3.49 6.12 0.00 -1.26 -5.02 105.19 110.20 1nya n GLY 117 Ca 0.01 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.50 1.70 -0.44 1.61 -0.21 -1.26 -4.68 119.66 115.89 1nya s GLN 118 Ca 0.00 -1.89 -0.07 0.00 0.02 0.00 0.00 55.36 53.42 1nya s GLN 118 Cb 0.00 -1.35 0.11 0.00 1.00 0.00 0.00 33.01 32.78 1nya s GLN 118 CO 0.00 0.03 0.28 0.42 -2.12 0.00 0.00 175.29 173.90 1nya s ILE 119 N -2.89 3.83 0.50 1.08 -1.09 -0.02 -4.92 121.20 117.69 1nya s ILE 119 Ca 0.32 -1.88 -0.08 0.00 -2.23 0.00 0.00 60.65 56.78 1nya s ILE 119 Cb 0.05 -3.55 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 1nya s ILE 119 CO 0.15 -0.72 0.84 0.21 -1.23 0.00 0.00 174.94 174.19 1nya s ASN 120 N 2.30 6.32 0.41 3.58 3.84 -1.26 -1.02 114.94 129.11 1nya s ASN 120 Ca 0.07 1.10 0.20 0.00 0.21 0.00 0.00 52.86 54.44 1nya s ASN 120 Cb -0.25 -2.32 1.15 0.00 -0.55 0.00 0.00 41.25 39.28 1nya s ASN 120 CO -0.02 -0.61 1.77 0.00 -2.79 0.00 0.00 177.10 175.45 1nya h ALA 121 N 0.32 2.31 0.00 1.71 0.00 -1.99 1.43 119.26 123.05 1nya h ALA 121 Ca -0.46 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 1nya h ALA 121 Cb 1.20 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1nya h ALA 121 CO 0.62 -0.72 -0.48 0.22 0.00 0.00 0.00 179.25 178.89 1nya h ASP 122 N 0.35 0.00 0.02 0.00 3.58 -1.98 -1.28 116.42 117.12 1nya h ASP 122 Ca 0.60 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 58.01 1nya h ASP 122 Cb 1.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.64 1nya h ASP 122 CO -0.28 0.48 -0.15 -0.33 -2.88 0.00 0.00 179.24 176.09 1nya h GLU 123 N 0.00 0.06 -0.06 0.28 5.08 0.13 -3.15 114.58 116.91 1nya h GLU 123 Ca -0.00 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1nya h GLU 123 Cb 0.89 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 1nya h GLU 123 CO 0.06 1.03 -0.08 0.35 -1.00 0.00 0.00 179.01 179.37 1nya h PHE 124 N -0.86 -0.19 -0.60 4.33 3.57 -0.01 -2.65 116.94 120.53 1nya h PHE 124 Ca -0.03 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.58 1nya h PHE 124 Cb 1.10 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.86 1nya h PHE 124 CO 0.26 -0.12 0.21 0.00 -2.23 0.00 0.00 178.31 176.43 1nya h ALA 125 N 0.94 0.76 -0.68 2.41 0.00 -1.38 -0.24 119.26 121.08 1nya h ALA 125 Ca 0.05 0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.18 1nya h ALA 125 Cb 0.18 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1nya h ALA 125 CO -0.13 -0.21 0.46 0.00 0.00 0.00 0.00 179.25 179.37 1nya h ALA 126 N 1.42 2.10 0.10 0.00 0.00 -1.43 -1.58 119.26 119.87 1nya h ALA 126 Ca 0.30 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.99 1nya h ALA 126 Cb 0.38 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1nya h ALA 126 CO -0.31 -0.27 -1.08 2.35 0.00 0.00 0.00 179.25 179.93 1nya h TRP 127 N 0.39 0.40 -0.88 0.00 7.01 -0.91 -3.05 115.95 118.91 1nya h TRP 127 Ca 0.32 -0.29 0.03 0.00 2.11 0.00 0.00 58.89 61.06 1nya h TRP 127 Cb 0.73 -0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.72 1nya h TRP 127 CO -0.00 1.42 0.57 -0.07 -2.79 0.00 0.00 178.44 177.57 1nya h LEU 128 N -0.44 0.96 -1.01 0.65 3.38 -0.84 -0.75 115.31 117.25 1nya h LEU 128 Ca -0.23 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 1nya h LEU 128 Cb 1.62 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1nya h LEU 128 CO 0.06 0.67 -0.37 0.74 0.09 0.00 0.00 178.44 179.63 1nya h THR 129 N 1.13 0.92 -0.54 0.22 2.02 -1.45 -2.20 112.91 113.01 1nya h THR 129 Ca 0.34 -1.47 -0.04 0.00 0.77 0.00 0.00 66.41 66.01 1nya h THR 129 Cb -0.04 1.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 1nya h THR 129 CO -0.10 0.36 0.18 0.00 0.37 0.00 0.00 175.52 176.33 1nya h ALA 130 N 1.63 1.30 -0.07 6.16 0.00 -1.03 -2.22 119.26 125.04 1nya h ALA 130 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1nya h ALA 130 Cb 0.85 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1nya h ALA 130 CO 0.05 0.50 0.00 1.28 0.00 0.00 0.00 179.25 181.08 1nya n LEU 131 N -4.31 0.81 0.00 0.00 4.77 -1.04 -4.86 117.00 112.38 1nya n LEU 131 Ca 0.04 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 1nya n LEU 131 Cb 0.19 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1nya n LEU 131 CO 0.39 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1nya n GLY 132 N 0.98 1.57 3.94 -0.72 0.00 -0.83 -5.06 105.19 105.06 1nya n GLY 132 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.33 3.45 0.64 1.61 -1.94 -0.84 -5.00 119.30 116.88 1nya s MET 133 Ca 0.00 -0.56 -0.09 0.00 -1.71 0.00 0.00 55.69 53.33 1nya s MET 133 Cb 0.00 -2.94 0.00 0.00 2.01 0.00 0.00 34.83 33.90 1nya s MET 133 CO 0.00 0.50 1.00 -1.12 -0.01 0.00 0.00 175.02 175.38 1nya s SER 134 N -3.26 5.66 0.55 3.03 0.01 -1.26 -4.13 113.70 114.29 1nya s SER 134 Ca 0.35 1.00 0.32 0.00 1.31 0.00 0.00 55.95 58.94 1nya s SER 134 Cb -0.11 -1.94 1.53 0.00 0.21 0.00 0.00 66.02 65.71 1nya s SER 134 CO 0.29 -1.13 2.06 0.50 0.41 0.00 0.00 173.24 175.37 1nya h LYS 135 N -0.38 0.00 0.00 12.44 1.63 -1.98 -2.31 116.57 125.97 1nya h LYS 135 Ca -0.45 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.21 1nya h LYS 135 Cb 1.24 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.85 1nya h LYS 135 CO 0.62 0.07 -0.70 0.00 -3.45 0.00 0.00 179.45 176.00 1nya h ALA 136 N 1.93 0.57 -0.13 5.00 0.00 -2.01 -3.28 119.26 121.33 1nya h ALA 136 Ca -0.00 -0.62 -0.22 0.00 0.00 0.00 0.00 54.91 54.07 1nya h ALA 136 Cb 0.39 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1nya h ALA 136 CO 0.01 0.85 -0.78 1.49 0.00 0.00 0.00 179.25 180.82 1nya h GLU 137 N 0.00 0.69 0.92 0.00 4.57 -1.80 -3.12 114.58 115.85 1nya h GLU 137 Ca -0.01 -0.57 -0.05 0.00 -1.18 0.00 0.00 59.36 57.55 1nya h GLU 137 Cb 1.52 0.12 0.01 0.00 -0.16 0.00 0.00 28.75 30.24 1nya h GLU 137 CO 0.09 1.19 -0.44 0.00 -1.18 0.00 0.00 179.01 178.66 1nya h ALA 138 N 0.65 -1.24 -0.87 2.92 0.00 -1.61 0.22 119.26 119.32 1nya h ALA 138 Ca -0.05 -0.27 0.22 0.00 0.00 0.00 0.00 54.91 54.81 1nya h ALA 138 Cb 1.39 0.48 -0.13 0.00 0.00 0.00 0.00 17.79 19.53 1nya h ALA 138 CO 0.15 -1.18 0.31 0.00 0.00 0.00 0.00 179.25 178.53 1nya h ALA 139 N -1.18 1.34 -0.04 0.00 0.00 -1.67 0.47 119.26 118.17 1nya h ALA 139 Ca -0.13 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1nya h ALA 139 Cb 0.95 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1nya h ALA 139 CO 0.21 -0.40 -0.04 1.49 0.00 0.00 0.00 179.25 180.51 1nya h GLU 140 N 0.31 0.09 -0.55 0.00 4.81 -1.45 -3.15 114.58 114.65 1nya h GLU 140 Ca 0.55 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.69 1nya h GLU 140 Cb 1.06 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 1nya h GLU 140 CO -0.58 0.57 0.20 0.00 -0.73 0.00 0.00 179.01 178.47 1nya h ALA 141 N 0.52 1.31 0.43 2.92 0.00 0.60 -2.70 119.26 122.35 1nya h ALA 141 Ca 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1nya h ALA 141 Cb 0.55 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1nya h ALA 141 CO 0.01 0.50 -0.48 0.35 0.00 0.00 0.00 179.25 179.63 1nya h PHE 142 N 0.79 -1.34 -0.59 0.00 3.57 -0.15 -2.43 116.94 116.80 1nya h PHE 142 Ca 0.19 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.77 1nya h PHE 142 Cb 0.19 0.53 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 1nya h PHE 142 CO 0.01 -0.64 0.39 -0.91 -2.23 0.00 0.00 178.31 174.94 1nya h ASN 143 N -0.93 0.47 0.12 0.41 4.21 -1.49 -2.23 115.58 116.13 1nya h ASN 143 Ca -0.05 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.37 1nya h ASN 143 Cb 0.83 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.92 1nya h ASN 143 CO -0.09 0.30 -0.32 0.06 -1.29 0.00 0.00 177.43 176.10 1nya h GLN 144 N 0.53 0.30 0.00 0.81 3.07 -1.13 -3.12 115.11 115.57 1nya h GLN 144 Ca 0.26 -0.12 -0.23 0.00 0.09 0.00 0.00 58.65 58.66 1nya h GLN 144 Cb 0.33 -0.02 -0.03 0.00 0.08 0.00 0.00 27.48 27.84 1nya h GLN 144 CO -0.07 0.59 -1.19 0.28 0.09 0.00 0.00 178.83 178.52 1nya h VAL 145 N 0.26 1.36 -0.14 1.86 2.07 -0.96 -3.42 116.25 117.28 1nya h VAL 145 Ca 0.03 -3.08 -0.18 0.00 0.82 0.00 0.00 66.70 64.30 1nya h VAL 145 Cb 0.69 2.66 0.02 0.00 -1.52 0.00 0.00 31.29 33.14 1nya h VAL 145 CO 0.05 0.77 0.50 0.47 0.02 0.00 0.00 177.57 179.39 1nya n ASP 146 N -3.23 1.67 -0.07 0.57 8.00 -0.96 -4.69 116.55 117.83 1nya n ASP 146 Ca -0.05 -2.54 0.13 0.00 0.71 0.00 0.00 54.79 53.04 1nya n ASP 146 Cb 0.95 -1.54 0.52 0.00 -0.02 0.00 0.00 41.12 41.04 1nya n ASP 146 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1nya h THR 147 N 6.26 0.87 -0.49 -3.53 2.02 -1.85 -1.06 112.91 115.13 1nya h THR 147 Ca 0.10 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1nya h THR 147 Cb 0.93 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1nya h THR 147 CO 1.23 0.07 0.00 -0.46 0.37 0.00 0.00 175.52 176.73 1nya n ASN 148 N -4.46 3.38 -4.14 4.18 0.23 -1.26 -4.95 115.26 108.23 1nya n ASN 148 Ca 0.10 -1.97 -0.35 0.00 -0.53 0.00 0.00 54.58 51.83 1nya n ASN 148 Cb 0.40 -0.32 -0.06 0.00 -2.08 0.00 0.00 39.78 37.71 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 1.51 -0.41 0.36 4.83 0.00 -0.40 -4.77 105.19 106.31 1nya n GLY 149 Ca 0.20 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.25 1.53 0.00 1.61 6.94 -1.26 -4.95 115.26 116.88 1nya n ASN 150 Ca 0.10 -1.21 0.00 0.00 -0.02 0.00 0.00 54.58 53.45 1nya n ASN 150 Cb 0.45 0.34 0.00 0.00 -2.36 0.00 0.00 39.78 38.22 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 1.39 0.73 2.98 4.83 0.00 -1.26 -5.05 105.19 108.81 1nya n GLY 151 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.56 0.89 -0.54 1.61 2.02 -1.26 -4.54 118.70 116.31 1nya s GLU 152 Ca 0.00 -0.26 -0.18 0.00 0.02 0.00 0.00 54.97 54.55 1nya s GLU 152 Cb 0.00 -0.84 0.09 0.00 0.10 0.00 0.00 34.13 33.48 1nya s GLU 152 CO 0.00 0.08 0.62 -0.51 0.02 0.00 0.00 175.26 175.46 1nya s LEU 153 N 0.29 5.39 0.51 1.80 1.43 -0.19 -4.92 118.68 123.00 1nya s LEU 153 Ca -0.04 -1.30 -0.05 0.00 -1.03 0.00 0.00 54.13 51.70 1nya s LEU 153 Cb -0.09 -2.32 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 1nya s LEU 153 CO 0.00 -0.96 0.82 -0.44 0.23 0.00 0.00 176.35 176.00 1nya s SER 154 N 3.21 6.11 0.27 2.29 0.01 -1.26 -0.84 113.70 123.49 1nya s SER 154 Ca 0.11 0.89 -0.00 0.00 1.31 0.00 0.00 55.95 58.26 1nya s SER 154 Cb -0.23 -2.13 0.61 0.00 0.21 0.00 0.00 66.02 64.48 1nya s SER 154 CO 0.08 -0.70 1.69 0.25 0.41 0.00 0.00 173.24 174.97 1nya h LEU 155 N 0.12 0.17 0.56 2.44 6.46 -1.97 -0.85 115.31 122.25 1nya h LEU 155 Ca -0.46 0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.43 1nya h LEU 155 Cb 1.22 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 41.30 1nya h LEU 155 CO 0.61 -0.02 -0.49 0.44 -0.62 0.00 0.00 178.44 178.36 1nya h ASP 156 N 0.34 -1.33 0.26 1.25 3.32 -1.99 -2.08 116.42 116.19 1nya h ASP 156 Ca 0.50 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.65 1nya h ASP 156 Cb 0.91 0.43 0.00 0.00 0.22 0.00 0.00 39.33 40.89 1nya h ASP 156 CO -0.53 -0.68 0.00 -0.33 -1.72 0.00 0.00 179.24 175.98 1nya h GLU 157 N -1.04 0.00 -0.03 3.56 5.08 -1.78 -2.54 114.58 117.83 1nya h GLU 157 Ca -0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1nya h GLU 157 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1nya h GLU 157 CO -0.02 0.00 -0.08 -0.07 -1.00 0.00 0.00 179.01 177.84 1nya h LEU 158 N 0.00 0.12 -0.43 1.33 3.38 -0.49 -2.95 115.31 116.27 1nya h LEU 158 Ca 0.00 -0.59 -0.06 0.00 0.09 0.00 0.00 57.88 57.32 1nya h LEU 158 Cb 0.13 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1nya h LEU 158 CO 0.00 0.69 0.02 -0.07 0.09 0.00 0.00 178.44 179.18 1nya h LEU 159 N -0.44 0.73 0.05 1.67 3.38 -1.06 -2.56 115.31 117.08 1nya h LEU 159 Ca -0.00 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.70 1nya h LEU 159 Cb 0.68 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1nya h LEU 159 CO 0.02 0.84 -0.40 0.74 0.09 0.00 0.00 178.44 179.73 1nya h THR 160 N 0.59 0.18 0.56 0.22 2.02 -1.55 0.99 112.91 115.93 1nya h THR 160 Ca 0.13 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 1nya h THR 160 Cb 0.45 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1nya h THR 160 CO 0.02 0.00 -0.47 0.00 0.37 0.00 0.00 175.52 175.44 1nya h ALA 161 N -0.04 -1.17 -0.98 6.16 0.00 -1.52 -2.54 119.26 119.16 1nya h ALA 161 Ca 0.04 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.90 1nya h ALA 161 Cb 0.65 0.66 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 1nya h ALA 161 CO -0.28 -1.17 0.62 -0.24 0.00 0.00 0.00 179.25 178.17 1nya h VAL 162 N -1.00 0.83 -0.22 0.00 3.04 -1.31 -2.65 116.25 114.94 1nya h VAL 162 Ca -0.07 -0.29 -0.52 0.00 -1.01 0.00 0.00 66.70 64.80 1nya h VAL 162 Cb 0.84 -0.10 -0.03 0.00 -2.01 0.00 0.00 31.29 29.99 1nya h VAL 162 CO -0.00 0.16 2.16 -1.14 -1.01 0.00 0.00 177.57 177.73 1nya n ARG 163 N -4.65 3.22 -2.65 4.17 0.63 0.34 -4.00 116.66 113.71 1nya n ARG 163 Ca 0.20 -2.01 -0.02 0.00 -0.92 0.00 0.00 57.85 55.10 1nya n ARG 163 Cb 0.46 -2.49 0.09 0.00 0.45 0.00 0.00 32.46 30.96 1nya n ARG 163 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1nya n ASP 164 N 2.83 -1.01 0.00 6.15 8.00 -1.00 -4.87 116.55 126.66 1nya n ASP 164 Ca 0.64 -1.51 0.00 0.00 0.71 0.00 0.00 54.79 54.63 1nya n ASP 164 Cb 0.46 1.01 0.00 0.00 -0.02 0.00 0.00 41.12 42.57 1nya n ASP 164 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1nya n PHE 165 N 0.31 0.00 -0.37 1.24 1.16 -1.26 -4.86 117.46 113.68 1nya n PHE 165 Ca -0.13 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.27 1nya n PHE 165 Cb 0.74 0.00 0.18 0.00 -1.61 0.00 0.00 39.48 38.79 1nya n PHE 165 CO 0.00 0.00 0.00 -2.39 -1.87 0.00 0.00 176.76 172.50 1nya n HIS 166 N -2.00 -2.79 -1.51 2.97 1.44 -1.26 -1.94 115.22 110.13 1nya n HIS 166 Ca 0.00 -0.27 -0.17 0.00 -2.01 0.00 0.00 57.72 55.27 1nya n HIS 166 Cb 0.44 -1.19 -0.07 0.00 0.12 0.00 0.00 29.99 29.29 1nya n HIS 166 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1nya n PHE 167 N -4.67 -0.20 -1.78 -1.40 3.01 -1.26 -3.98 117.46 107.18 1nya n PHE 167 Ca 0.08 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.53 1nya n PHE 167 Cb 0.36 -3.04 -0.01 0.00 -0.01 0.00 0.00 39.48 36.77 1nya n PHE 167 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nya n GLY 168 N -0.33 -3.71 0.00 1.37 0.00 -1.20 -4.61 105.19 96.72 1nya n GLY 168 Ca -0.17 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1nya n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nya n ARG 169 N 0.55 0.00 0.00 1.61 5.12 -0.82 -5.04 116.66 118.08 1nya n ARG 169 Ca -0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 1nya n ARG 169 Cb 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.48 1nya n ARG 169 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 1nya n LEU 170 N -0.22 0.00 -3.50 0.55 -0.00 -1.26 -5.03 117.00 107.54 1nya n LEU 170 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.61 1nya n LEU 170 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1nya n LEU 170 CO 0.00 0.00 2.34 -0.90 -0.00 0.00 0.00 177.39 178.83 1nya n ASP 171 N 0.00 7.96 0.00 1.45 5.75 -1.26 -4.72 116.55 125.74 1nya n ASP 171 Ca 0.00 -3.17 0.00 0.00 -0.01 0.00 0.00 54.79 51.61 1nya n ASP 171 Cb 0.00 -1.35 0.00 0.00 -1.03 0.00 0.00 41.12 38.74 1nya n ASP 171 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 1nya n VAL 172 N 1.64 0.00 -0.08 2.12 3.14 -1.26 -4.99 118.33 118.91 1nya n VAL 172 Ca 0.61 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.99 1nya n VAL 172 Cb 0.25 -0.26 0.00 0.00 -1.06 0.00 0.00 33.84 32.76 1nya n VAL 172 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1nya n GLU 173 N 0.00 0.00 0.09 1.45 0.00 -1.26 -4.92 120.64 116.00 1nya n GLU 173 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1nya n GLU 173 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1nya n GLU 173 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1nya n LEU 174 N 0.00 -1.46 -4.39 -1.84 0.00 -1.26 -4.36 117.00 103.69 1nya n LEU 174 Ca 0.00 0.34 -0.29 0.00 0.00 0.00 0.00 56.01 56.06 1nya n LEU 174 Cb 0.00 1.63 0.25 0.00 0.00 0.00 0.00 43.42 45.30 1nya n LEU 174 CO 0.00 -0.24 0.24 0.18 0.00 0.00 0.00 177.39 177.57 1nya n LEU 175 N -2.87 -1.93 0.00 -1.96 4.77 -1.26 -5.04 117.00 108.70 1nya n LEU 175 Ca 0.00 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1nya n LEU 175 Cb 0.00 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 39.94 1nya n LEU 175 CO 0.00 -3.42 0.00 0.61 -1.33 0.00 0.00 177.39 173.25