#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nya s THR 2 N 0.00 2.25 0.04 1.09 2.01 -1.26 -4.60 115.64 115.17 1nya s THR 2 Ca 0.00 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.19 1nya s THR 2 Cb 0.00 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.41 1nya s THR 2 CO 0.00 -0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.93 1nya n ALA 3 N -0.92 -2.44 0.11 7.40 0.00 -1.26 -4.83 120.51 118.57 1nya n ALA 3 Ca 0.10 0.28 -0.01 0.00 0.00 0.00 0.00 53.44 53.81 1nya n ALA 3 Cb 0.45 -0.88 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 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 2.43 1.16 -0.71 0.00 2.04 -2.00 -3.30 117.51 117.14 1nya h ILE 4 Ca 0.00 -2.63 -0.06 0.00 1.00 0.00 0.00 64.86 63.18 1nya h ILE 4 Cb 0.00 2.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 1nya h ILE 4 CO 0.00 0.66 0.21 0.00 0.00 0.00 0.00 178.15 179.02 1nya h ALA 5 N 1.33 1.05 -0.24 1.87 0.00 -1.91 -2.89 119.26 118.46 1nya h ALA 5 Ca -0.01 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1nya h ALA 5 Cb 1.51 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1nya h ALA 5 CO 0.09 0.64 0.15 0.77 0.00 0.00 0.00 179.25 180.90 1nya h SER 6 N 1.05 0.25 -0.13 0.00 0.02 -1.88 -0.63 113.55 112.22 1nya h SER 6 Ca 0.23 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.21 1nya h SER 6 Cb 0.30 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 1nya h SER 6 CO -0.01 0.18 -0.06 0.44 -1.14 0.00 0.00 176.83 176.25 1nya h ASP 7 N 0.31 -0.19 -0.30 3.07 5.19 -1.67 1.32 116.42 124.16 1nya h ASP 7 Ca 0.09 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.53 1nya h ASP 7 Cb -0.02 0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 1nya h ASP 7 CO -0.03 -0.08 0.11 0.03 -3.12 0.00 0.00 179.24 176.15 1nya h ARG 8 N -0.04 0.45 -0.02 3.56 2.47 -1.36 -2.11 114.38 117.33 1nya h ARG 8 Ca 0.07 -0.08 -0.22 0.00 -1.26 0.00 0.00 59.98 58.49 1nya h ARG 8 Cb 0.15 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1nya h ARG 8 CO -0.16 0.47 -0.90 -0.07 0.56 0.00 0.00 179.97 179.87 1nya h LEU 9 N 0.33 0.58 -0.43 3.04 3.38 -0.92 -2.74 115.31 118.54 1nya h LEU 9 Ca 0.10 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.64 1nya h LEU 9 Cb 0.20 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1nya h LEU 9 CO -0.01 1.23 0.26 0.50 0.09 0.00 0.00 178.44 180.52 1nya h LYS 10 N 0.27 0.52 -0.30 1.13 3.11 0.18 -2.77 116.57 118.71 1nya h LYS 10 Ca -0.07 -0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 57.68 1nya h LYS 10 Cb 1.53 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 32.63 1nya h LYS 10 CO 0.16 0.34 -0.04 0.87 -2.81 0.00 0.00 179.45 177.98 1nya h LYS 11 N 0.53 0.55 -1.14 1.90 1.79 -1.43 -2.88 116.57 115.89 1nya h LYS 11 Ca 0.17 -0.19 0.32 0.00 -2.18 0.00 0.00 60.65 58.76 1nya h LYS 11 Cb -0.01 -0.04 -0.08 0.00 -1.58 0.00 0.00 32.23 30.52 1nya h LYS 11 CO -0.07 0.72 0.77 0.00 -1.08 0.00 0.00 179.45 179.79 1nya h ARG 12 N 0.32 0.20 0.26 3.15 2.47 -1.22 1.33 114.38 120.89 1nya h ARG 12 Ca 0.08 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.77 1nya h ARG 12 Cb 0.50 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1nya h ARG 12 CO 0.02 0.13 -0.12 0.35 0.56 0.00 0.00 179.97 180.91 1nya h PHE 13 N 0.21 -0.32 0.00 3.04 3.57 -1.29 -3.29 116.94 118.86 1nya h PHE 13 Ca 0.61 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.10 1nya h PHE 13 Cb 1.94 0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.79 1nya h PHE 13 CO -0.00 -0.20 0.00 -0.44 -2.23 0.00 0.00 178.31 175.44 1nya h ASP 14 N -0.93 0.00 1.21 0.41 5.19 -1.29 -2.51 116.42 118.50 1nya h ASP 14 Ca -0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1nya h ASP 14 Cb 0.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.78 1nya h ASP 14 CO 0.06 0.00 0.00 -0.09 -3.12 0.00 0.00 179.24 176.09 1nya h ARG 15 N 0.00 0.00 0.00 3.56 2.43 0.17 -3.42 114.38 117.12 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 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1nya h ARG 15 CO 0.00 0.00 0.00 0.91 -1.51 0.00 0.00 179.97 179.37 1nya n TRP 16 N -2.62 0.00 -3.31 2.20 7.02 -0.94 -5.04 117.44 114.74 1nya n TRP 16 Ca 0.03 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.27 1nya n TRP 16 Cb 0.35 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.27 1nya n TRP 16 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1nya n ASP 17 N 0.00 -6.20 0.05 -0.99 -0.08 -1.24 -4.86 116.55 103.22 1nya n ASP 17 Ca 0.00 0.15 -0.11 0.00 -1.51 0.00 0.00 54.79 53.32 1nya n ASP 17 Cb 0.00 -2.31 -0.04 0.00 2.34 0.00 0.00 41.12 41.11 1nya n ASP 17 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1nya h PHE 18 N 2.49 -0.47 0.00 -0.67 3.04 -1.93 -3.07 116.94 116.33 1nya h PHE 18 Ca -0.33 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.63 1nya h PHE 18 Cb 1.19 0.21 0.00 0.00 2.56 0.00 0.00 35.95 39.91 1nya h PHE 18 CO 0.01 -0.26 -1.11 -0.40 -2.02 0.00 0.00 178.31 174.54 1nya n ASP 19 N -5.31 0.70 -1.23 0.41 5.75 -1.26 -4.99 116.55 110.62 1nya n ASP 19 Ca -0.05 -0.58 -0.04 0.00 -0.01 0.00 0.00 54.79 54.11 1nya n ASP 19 Cb 0.23 1.03 0.02 0.00 -1.03 0.00 0.00 41.12 41.36 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 1.43 0.52 0.07 6.12 0.00 -1.16 -4.96 105.19 107.21 1nya n GLY 20 Ca 0.02 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.18 0.76 0.00 1.61 0.23 -1.26 -4.95 115.26 111.48 1nya n ASN 21 Ca -0.02 -0.57 0.00 0.00 -0.53 0.00 0.00 54.58 53.46 1nya n ASN 21 Cb 0.52 0.37 0.00 0.00 -2.08 0.00 0.00 39.78 38.59 1nya n ASN 21 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nya n GLY 22 N 1.47 0.46 3.68 4.83 0.00 -1.26 -5.02 105.19 109.35 1nya n GLY 22 Ca 0.07 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.20 -0.22 4.61 0.00 -1.26 -4.64 121.76 118.05 1nya s ALA 23 Ca 0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 50.93 1nya s ALA 23 Cb 0.00 0.88 0.01 0.00 0.00 0.00 0.00 23.12 24.01 1nya s ALA 23 CO 0.00 -0.91 -0.09 -1.17 0.00 0.00 0.00 175.76 173.59 1nya s LEU 24 N -3.12 2.80 0.43 0.00 2.96 -0.47 -4.86 118.68 116.42 1nya s LEU 24 Ca 0.21 -0.63 0.07 0.00 -0.22 0.00 0.00 54.13 53.56 1nya s LEU 24 Cb -0.03 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 1nya s LEU 24 CO 0.14 -0.05 0.15 -0.70 -1.32 0.00 0.00 176.35 174.57 1nya s GLU 25 N 1.37 2.18 0.26 1.98 2.12 -1.26 -2.66 118.70 122.69 1nya s GLU 25 Ca 0.04 -1.94 0.03 0.00 0.36 0.00 0.00 54.97 53.45 1nya s GLU 25 Cb -0.15 -1.90 0.34 0.00 0.26 0.00 0.00 34.13 32.68 1nya s GLU 25 CO -0.06 -0.15 1.65 -0.09 -0.54 0.00 0.00 175.26 176.06 1nya h ARG 26 N 1.44 0.41 0.00 4.30 2.43 -1.83 -2.60 114.38 118.53 1nya h ARG 26 Ca -0.43 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 1nya h ARG 26 Cb 1.26 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1nya h ARG 26 CO 0.71 0.74 0.00 0.00 -1.51 0.00 0.00 179.97 179.92 1nya h ALA 27 N 1.24 1.00 0.00 2.80 0.00 -1.96 -1.66 119.26 120.68 1nya h ALA 27 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1nya h ALA 27 Cb 0.85 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1nya h ALA 27 CO 0.07 0.00 -0.52 -0.44 0.00 0.00 0.00 179.25 178.36 1nya h ASP 28 N 0.00 0.00 0.11 0.00 3.32 -1.87 -2.69 116.42 115.29 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 0.21 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.78 1nya h ASP 28 CO 0.00 0.52 -1.13 -0.26 -1.72 0.00 0.00 179.24 176.65 1nya h PHE 29 N 0.00 0.97 -0.42 4.55 0.04 -1.43 -2.59 116.94 118.07 1nya h PHE 29 Ca -0.01 -0.57 -0.03 0.00 2.80 0.00 0.00 57.97 60.17 1nya h PHE 29 Cb 0.94 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.97 1nya h PHE 29 CO 0.00 1.41 0.16 0.93 -0.60 0.00 0.00 178.31 180.21 1nya h GLU 30 N 0.32 0.63 -0.56 1.51 5.08 -1.50 -1.81 114.58 118.24 1nya h GLU 30 Ca -0.15 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.04 1nya h GLU 30 Cb 1.79 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.91 1nya h GLU 30 CO 0.21 0.59 0.13 0.87 -1.00 0.00 0.00 179.01 179.81 1nya h LYS 31 N 0.53 0.90 0.32 2.33 1.57 -1.56 -2.56 116.57 118.09 1nya h LYS 31 Ca 0.14 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1nya h LYS 31 Cb 0.20 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1nya h LYS 31 CO -0.01 0.85 -0.50 1.49 -0.57 0.00 0.00 179.45 180.71 1nya h GLU 32 N 0.80 -0.84 -0.67 3.15 4.81 -1.19 0.45 114.58 121.10 1nya h GLU 32 Ca 0.18 0.06 0.14 0.00 -0.13 0.00 0.00 59.36 59.60 1nya h GLU 32 Cb 0.36 0.19 -0.12 0.00 0.63 0.00 0.00 28.75 29.80 1nya h GLU 32 CO 0.00 -0.56 -0.10 0.00 -0.73 0.00 0.00 179.01 177.63 1nya h ALA 33 N -0.64 0.54 -0.21 2.92 0.00 -1.27 0.78 119.26 121.38 1nya h ALA 33 Ca -0.03 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nya h ALA 33 Cb 0.81 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1nya h ALA 33 CO -0.17 -0.42 0.13 0.37 0.00 0.00 0.00 179.25 179.17 1nya h GLN 34 N 0.04 0.28 -0.10 0.00 4.15 -0.98 -0.55 115.11 117.94 1nya h GLN 34 Ca 0.34 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.77 1nya h GLN 34 Cb 0.54 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 1nya h GLN 34 CO -0.65 0.21 0.20 1.25 -1.93 0.00 0.00 178.83 177.92 1nya h HIS 35 N 0.26 0.00 0.00 3.99 2.76 0.21 -2.45 115.15 119.92 1nya h HIS 35 Ca 0.08 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.22 1nya h HIS 35 Cb 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 1nya h HIS 35 CO -0.05 0.00 -0.25 0.82 -1.30 0.00 0.00 177.93 177.15 1nya h ILE 36 N 0.00 0.66 -0.95 6.26 2.04 0.39 -3.28 117.51 122.63 1nya h ILE 36 Ca 0.05 -1.56 0.29 0.00 1.00 0.00 0.00 64.86 64.64 1nya h ILE 36 Cb 0.45 1.31 -0.15 0.00 -0.74 0.00 0.00 36.82 37.69 1nya h ILE 36 CO -0.00 0.22 0.37 0.00 0.00 0.00 0.00 178.15 178.75 1nya h ALA 37 N -0.63 1.60 -0.80 1.87 0.00 -0.71 0.66 119.26 121.25 1nya h ALA 37 Ca -0.04 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1nya h ALA 37 Cb 0.55 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1nya h ALA 37 CO -0.03 -0.56 0.40 0.93 0.00 0.00 0.00 179.25 179.99 1nya h GLU 38 N 0.22 1.14 -0.07 0.00 4.39 -1.62 -2.11 114.58 116.53 1nya h GLU 38 Ca 0.65 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 60.17 1nya h GLU 38 Cb 1.44 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 1nya h GLU 38 CO -0.67 0.87 -0.06 0.00 -1.16 0.00 0.00 179.01 177.99 1nya h ALA 39 N 1.30 1.77 -0.15 3.43 0.00 0.26 -0.88 119.26 125.00 1nya h ALA 39 Ca 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1nya h ALA 39 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1nya h ALA 39 CO -0.04 0.17 0.00 0.34 0.00 0.00 0.00 179.25 179.72 1nya n PHE 40 N -4.41 0.19 -3.43 0.00 -0.00 -0.82 -4.94 117.46 104.05 1nya n PHE 40 Ca -0.02 -0.09 -0.17 0.00 -0.00 0.00 0.00 57.45 57.17 1nya n PHE 40 Cb 0.17 0.00 0.02 0.00 -0.00 0.00 0.00 39.48 39.68 1nya n PHE 40 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nya n GLY 41 N 1.13 -1.17 2.75 7.13 0.00 -0.34 -5.00 105.19 109.70 1nya n GLY 41 Ca 0.16 0.51 -0.17 0.00 0.00 0.00 0.00 46.02 46.52 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 -4.52 0.60 0.00 1.61 1.02 -1.17 -5.06 119.74 112.22 1nya s LYS 42 Ca 0.21 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.41 1nya s LYS 42 Cb -0.06 -0.74 0.00 0.00 -0.52 0.00 0.00 37.83 36.51 1nya s LYS 42 CO 0.81 -1.18 0.00 -3.47 -0.92 0.00 0.00 175.35 170.60 1nya n ASP 43 N 4.36 0.00 0.12 2.83 2.03 -1.26 -4.74 116.55 119.89 1nya n ASP 43 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1nya n ASP 43 Cb 0.45 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 1nya n ASP 43 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nya n ALA 44 N 0.90 2.99 -0.65 -1.67 0.00 -1.26 -4.55 120.51 116.27 1nya n ALA 44 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1nya n ALA 44 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 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 1.49 3.26 1.27 0.00 0.00 -1.26 -4.71 105.19 105.24 1nya n GLY 45 Ca 0.00 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.06 -1.33 -0.04 4.61 0.00 -1.26 -4.85 120.51 117.58 1nya n ALA 46 Ca 0.34 -0.59 -0.12 0.00 0.00 0.00 0.00 53.44 53.06 1nya n ALA 46 Cb 1.20 -0.04 -0.11 0.00 0.00 0.00 0.00 19.45 20.51 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 -2.31 -0.03 -1.00 0.00 0.00 -1.98 -2.98 119.26 110.96 1nya h ALA 47 Ca -0.15 -0.36 0.21 0.00 0.00 0.00 0.00 54.91 54.61 1nya h ALA 47 Cb 0.46 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.16 1nya h ALA 47 CO 0.10 -0.10 0.62 1.05 0.00 0.00 0.00 179.25 180.91 1nya h GLU 48 N -0.86 0.63 -0.01 0.00 4.11 -1.97 -0.72 114.58 115.76 1nya h GLU 48 Ca -0.00 -0.04 -0.25 0.00 0.07 0.00 0.00 59.36 59.14 1nya h GLU 48 Cb 0.74 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.86 1nya h GLU 48 CO 0.01 0.42 -0.99 0.28 0.07 0.00 0.00 179.01 178.80 1nya h VAL 49 N 0.65 1.33 -0.74 -1.06 2.07 -1.86 -3.01 116.25 113.64 1nya h VAL 49 Ca 0.59 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.78 1nya h VAL 49 Cb 1.07 2.38 -0.04 0.00 -1.52 0.00 0.00 31.29 33.18 1nya h VAL 49 CO -0.37 0.71 0.48 -0.61 0.02 0.00 0.00 177.57 177.80 1nya h GLN 50 N 0.32 0.98 0.50 1.57 4.15 -1.02 -1.56 115.11 120.06 1nya h GLN 50 Ca -0.10 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.24 1nya h GLN 50 Cb 1.63 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 29.09 1nya h GLN 50 CO 0.18 0.66 -0.39 1.15 -1.93 0.00 0.00 178.83 178.50 1nya h THR 51 N 1.00 0.21 -0.08 2.39 2.02 -1.22 0.86 112.91 118.09 1nya h THR 51 Ca 0.27 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.49 1nya h THR 51 Cb -0.10 0.21 -0.06 0.00 -1.74 0.00 0.00 68.15 66.46 1nya h THR 51 CO -0.06 0.00 -0.42 0.25 0.37 0.00 0.00 175.52 175.66 1nya h LEU 52 N -0.88 -1.31 -0.93 2.58 5.85 -1.37 0.22 115.31 119.48 1nya h LEU 52 Ca -0.05 0.17 0.19 0.00 0.84 0.00 0.00 57.88 59.02 1nya h LEU 52 Cb 0.75 0.52 -0.11 0.00 0.37 0.00 0.00 40.66 42.19 1nya h LEU 52 CO 0.00 -0.44 0.50 0.11 -0.34 0.00 0.00 178.44 178.27 1nya h LYS 53 N -0.52 0.59 -0.68 1.25 1.57 -1.15 0.29 116.57 117.91 1nya h LYS 53 Ca 0.06 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1nya h LYS 53 Cb 0.64 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 1nya h LYS 53 CO -0.37 0.39 0.43 -0.97 -0.57 0.00 0.00 179.45 178.36 1nya h ASN 54 N 0.61 0.70 0.06 0.86 -0.73 0.11 -1.15 115.58 116.03 1nya h ASN 54 Ca 0.54 -0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.71 1nya h ASN 54 Cb 0.90 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 39.34 1nya h ASN 54 CO -0.42 0.49 -0.03 0.00 -0.37 0.00 0.00 177.43 177.10 1nya h ALA 55 N 1.29 -0.07 -0.88 1.57 0.00 0.10 -2.90 119.26 118.36 1nya h ALA 55 Ca 0.27 -0.19 0.25 0.00 0.00 0.00 0.00 54.91 55.24 1nya h ALA 55 Cb 0.01 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1nya h ALA 55 CO -0.10 -0.35 0.63 0.74 0.00 0.00 0.00 179.25 180.16 1nya h PHE 56 N -0.45 0.07 0.05 0.00 0.04 -0.33 -0.64 116.94 115.67 1nya h PHE 56 Ca -0.01 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1nya h PHE 56 Cb 0.40 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1nya h PHE 56 CO 0.05 0.02 -0.02 0.78 -0.60 0.00 0.00 178.31 178.54 1nya h GLY 57 N 0.05 -0.06 2.00 -1.45 0.00 -1.00 -2.66 103.07 99.95 1nya h GLY 57 Ca 0.43 0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.75 1nya h GLY 57 CO -0.03 -0.02 -0.17 -1.33 0.00 0.00 0.00 176.54 174.99 1nya h GLY 58 N -0.17 0.00 0.71 4.60 0.00 -1.13 -2.71 103.07 104.37 1nya h GLY 58 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.37 1nya h GLY 58 CO 0.01 0.00 0.31 -2.00 0.00 0.00 0.00 176.54 174.86 1nya h LEU 59 N 0.00 0.45 -0.88 3.11 5.85 -1.07 -1.49 115.31 121.28 1nya h LEU 59 Ca -0.00 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1nya h LEU 59 Cb 0.34 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1nya h LEU 59 CO 0.02 0.30 0.43 0.15 -0.34 0.00 0.00 178.44 179.00 1nya h PHE 60 N 0.59 1.23 -0.91 1.25 3.57 -1.41 -2.89 116.94 118.38 1nya h PHE 60 Ca 0.25 -0.05 0.21 0.00 3.53 0.00 0.00 57.97 61.92 1nya h PHE 60 Cb 0.15 -0.38 -0.17 0.00 2.79 0.00 0.00 35.95 38.33 1nya h PHE 60 CO -0.09 0.88 -0.08 0.22 -2.23 0.00 0.00 178.31 177.01 1nya h ASP 61 N 1.23 -0.60 -0.80 0.41 3.58 -1.23 0.76 116.42 119.77 1nya h ASP 61 Ca 0.30 0.26 0.05 0.00 0.42 0.00 0.00 57.03 58.06 1nya h ASP 61 Cb 0.10 0.49 -0.05 0.00 1.72 0.00 0.00 39.33 41.59 1nya h ASP 61 CO -0.04 -0.30 0.52 0.22 -2.88 0.00 0.00 179.24 176.77 1nya h TYR 62 N 0.03 0.92 0.34 0.28 3.20 -1.48 -1.49 116.97 118.76 1nya h TYR 62 Ca 0.50 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.37 1nya h TYR 62 Cb 0.90 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.86 1nya h TYR 62 CO -0.57 0.51 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.23 1nya h LEU 63 N 0.93 -0.38 -0.68 2.82 3.38 0.42 0.18 115.31 121.98 1nya h LEU 63 Ca 0.33 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.27 1nya h LEU 63 Cb 0.13 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 1nya h LEU 63 CO -0.11 -0.09 0.33 0.00 0.09 0.00 0.00 178.44 178.66 1nya h ALA 64 N -0.11 0.92 0.36 1.53 0.00 -1.07 0.81 119.26 121.70 1nya h ALA 64 Ca -0.05 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1nya h ALA 64 Cb 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1nya h ALA 64 CO 0.08 -0.07 -0.17 -0.22 0.00 0.00 0.00 179.25 178.87 1nya h LYS 65 N 0.57 -0.46 -0.82 0.00 1.63 -1.23 0.62 116.57 116.89 1nya h LYS 65 Ca 0.33 0.03 0.01 0.00 -0.85 0.00 0.00 60.65 60.17 1nya h LYS 65 Cb 0.34 0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 32.04 1nya h LYS 65 CO -0.26 -0.15 0.54 1.49 -3.45 0.00 0.00 179.45 177.61 1nya h GLU 66 N -0.80 1.08 0.00 1.90 4.81 -0.38 -2.32 114.58 118.86 1nya h GLU 66 Ca -0.05 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.00 1nya h GLU 66 Cb 0.52 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1nya h GLU 66 CO 0.08 0.72 -0.52 0.00 -0.73 0.00 0.00 179.01 178.56 1nya h ALA 67 N 1.30 0.76 -3.50 2.92 0.00 0.64 -3.49 119.26 117.88 1nya h ALA 67 Ca 0.30 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1nya h ALA 67 Cb -0.12 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 17.62 1nya h ALA 67 CO -0.06 0.65 -0.14 0.41 0.00 0.00 0.00 179.25 180.10 1nya n GLY 68 N 0.83 0.30 0.00 0.00 0.00 0.20 -5.04 105.19 101.48 1nya n GLY 68 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1nya n GLY 68 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nya n VAL 69 N -1.72 0.00 0.00 1.61 0.24 -0.43 -5.03 118.33 112.99 1nya n VAL 69 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1nya n VAL 69 Cb 0.52 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.65 1nya n VAL 69 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nya n GLY 70 N 4.51 0.00 0.00 7.63 0.00 -1.26 -4.96 105.19 111.11 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 -1.14 0.00 0.00 0.00 173.32 172.18 1nya n SER 71 N -0.01 0.00 -0.79 1.61 3.41 -1.26 -4.85 113.62 111.73 1nya n SER 71 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 1nya n SER 71 Cb 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.14 1nya n SER 71 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1nya n ASP 72 N 0.00 3.12 -0.80 4.04 2.03 -1.26 -4.59 116.55 119.09 1nya n ASP 72 Ca 0.00 -1.99 0.00 0.00 0.52 0.00 0.00 54.79 53.32 1nya n ASP 72 Cb 0.00 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 1nya n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nya n GLY 73 N 0.76 1.23 3.11 0.27 0.00 -1.26 -5.04 105.19 104.27 1nya n GLY 73 Ca 0.14 -1.94 -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 0.26 -0.05 1.61 0.01 -1.26 -4.62 113.70 108.65 1nya s SER 74 Ca 0.00 -0.66 0.05 0.00 1.31 0.00 0.00 55.95 56.65 1nya s SER 74 Cb 0.00 0.22 -0.02 0.00 0.21 0.00 0.00 66.02 66.43 1nya s SER 74 CO 0.00 -0.54 -0.18 -0.76 0.41 0.00 0.00 173.24 172.17 1nya s LEU 75 N -2.35 2.48 0.64 2.44 1.43 -1.09 -4.85 118.68 117.39 1nya s LEU 75 Ca -0.02 -0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 52.73 1nya s LEU 75 Cb 0.01 -1.48 0.04 0.00 0.03 0.00 0.00 46.19 44.79 1nya s LEU 75 CO -0.06 0.32 0.93 0.42 0.23 0.00 0.00 176.35 178.19 1nya s THR 76 N -0.58 2.62 0.16 5.49 -4.23 -1.26 -1.37 115.64 116.47 1nya s THR 76 Ca 0.08 -0.33 -0.16 0.00 -1.18 0.00 0.00 61.69 60.10 1nya s THR 76 Cb -0.11 -3.08 0.04 0.00 1.34 0.00 0.00 72.50 70.69 1nya s THR 76 CO 0.01 -0.08 1.72 -0.08 -0.54 0.00 0.00 174.62 175.65 1nya h GLU 77 N -0.35 0.17 -0.28 3.99 4.81 -1.99 0.20 114.58 121.13 1nya h GLU 77 Ca -0.44 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.82 1nya h GLU 77 Cb 1.30 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 1nya h GLU 77 CO 0.58 0.11 0.19 0.93 -0.73 0.00 0.00 179.01 180.09 1nya h GLU 78 N 0.17 0.22 -0.14 1.92 5.08 -1.99 -1.67 114.58 118.16 1nya h GLU 78 Ca 0.17 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.39 1nya h GLU 78 Cb 0.21 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1nya h GLU 78 CO -0.24 0.14 -0.43 1.96 -1.00 0.00 0.00 179.01 179.45 1nya h GLN 79 N 0.22 0.54 -0.05 2.33 1.08 -1.47 -2.81 115.11 114.96 1nya h GLN 79 Ca 0.12 -0.39 0.03 0.00 -1.45 0.00 0.00 58.65 56.96 1nya h GLN 79 Cb 0.19 0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.63 1nya h GLN 79 CO -0.02 1.01 -0.46 0.35 -0.95 0.00 0.00 178.83 178.76 1nya h PHE 80 N 0.17 -1.32 -0.34 2.96 3.57 -0.09 0.19 116.94 122.08 1nya h PHE 80 Ca -0.01 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.59 1nya h PHE 80 Cb 1.05 0.58 -0.05 0.00 2.79 0.00 0.00 35.95 40.32 1nya h PHE 80 CO 0.10 -0.52 0.00 0.82 -2.23 0.00 0.00 178.31 176.49 1nya h ILE 81 N -0.58 0.75 0.12 1.41 2.04 -1.54 1.41 117.51 121.12 1nya h ILE 81 Ca 0.05 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.88 1nya h ILE 81 Cb 0.67 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1nya h ILE 81 CO -0.36 0.02 -0.18 0.03 0.00 0.00 0.00 178.15 177.66 1nya h ARG 82 N 0.10 -0.34 -0.21 2.37 2.47 -1.13 0.77 114.38 118.41 1nya h ARG 82 Ca 0.17 0.02 -0.12 0.00 -1.26 0.00 0.00 59.98 58.79 1nya h ARG 82 Cb 0.23 0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.62 1nya h ARG 82 CO -0.28 -0.23 -0.34 -0.39 0.56 0.00 0.00 179.97 179.30 1nya h VAL 83 N -0.35 1.33 -0.40 2.04 -1.51 -0.34 -2.92 116.25 114.09 1nya h VAL 83 Ca 0.02 -1.55 -0.01 0.00 -1.23 0.00 0.00 66.70 63.93 1nya h VAL 83 Cb 0.36 1.82 -0.02 0.00 -2.13 0.00 0.00 31.29 31.32 1nya h VAL 83 CO -0.08 0.48 0.21 0.74 -1.23 0.00 0.00 177.57 177.68 1nya h THR 84 N 0.28 1.16 -0.45 7.19 2.02 0.20 -2.35 112.91 120.96 1nya h THR 84 Ca 0.02 -0.44 0.09 0.00 0.77 0.00 0.00 66.41 66.84 1nya h THR 84 Cb 0.92 0.72 -0.08 0.00 -1.74 0.00 0.00 68.15 67.97 1nya h THR 84 CO 0.08 0.17 -0.03 -0.33 0.37 0.00 0.00 175.52 175.78 1nya h GLU 85 N 0.52 0.08 -0.92 6.66 4.39 0.56 -0.85 114.58 125.01 1nya h GLU 85 Ca 0.14 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.85 1nya h GLU 85 Cb 0.09 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.67 1nya h GLU 85 CO -0.02 0.05 0.61 -0.91 -1.16 0.00 0.00 179.01 177.58 1nya h ASN 86 N 0.08 1.05 -0.60 1.42 4.21 -1.31 -0.51 115.58 119.93 1nya h ASN 86 Ca 0.22 -0.03 0.02 0.00 1.21 0.00 0.00 56.30 57.73 1nya h ASN 86 Cb 0.33 -0.26 -0.04 0.00 -1.12 0.00 0.00 38.32 37.24 1nya h ASN 86 CO -0.40 0.76 0.37 -0.07 -1.29 0.00 0.00 177.43 176.80 1nya h LEU 87 N 1.24 0.61 -0.09 1.61 3.38 -0.64 1.26 115.31 122.68 1nya h LEU 87 Ca 0.34 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.24 1nya h LEU 87 Cb -0.13 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1nya h LEU 87 CO -0.08 0.43 -0.20 0.40 0.09 0.00 0.00 178.44 179.08 1nya h ILE 88 N 0.73 1.41 0.00 1.22 2.04 -0.90 -3.41 117.51 118.60 1nya h ILE 88 Ca 0.24 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.57 1nya h ILE 88 Cb 0.00 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1nya h ILE 88 CO -0.09 0.43 0.00 0.49 0.00 0.00 0.00 178.15 178.98 1nya n PHE 89 N -4.53 0.00 -0.13 1.37 3.72 -0.24 -4.99 117.46 112.66 1nya n PHE 89 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1nya n PHE 89 Cb 0.42 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 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 -1.80 -0.91 -0.72 -1.08 4.71 0.43 -4.93 120.64 116.33 1nya n GLU 90 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.16 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 -1.32 -1.87 -2.46 3.49 1.13 -1.22 -4.40 117.38 110.73 1nya n GLN 91 Ca 0.00 1.46 -0.29 0.00 -1.94 0.00 0.00 57.00 56.23 1nya n GLN 91 Cb 0.00 -1.85 -0.00 0.00 0.11 0.00 0.00 30.24 28.50 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 -4.26 1.59 0.09 1.08 0.00 -1.26 -4.99 107.32 99.57 1nya s GLY 92 Ca 0.00 -0.36 -0.32 0.00 0.00 0.00 0.00 44.72 44.04 1nya s GLY 92 CO 0.00 -0.17 1.60 0.83 0.00 0.00 0.00 173.10 175.37 1nya h GLU 93 N 0.20 -0.78 0.00 2.90 4.39 -1.98 -1.57 114.58 117.74 1nya h GLU 93 Ca -0.46 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1nya h GLU 93 Cb 1.20 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 1nya h GLU 93 CO 0.62 -0.52 0.00 0.00 -1.16 0.00 0.00 179.01 177.95 1nya n ALA 94 N -2.66 1.09 -0.02 3.43 0.00 -1.26 -2.08 120.51 119.02 1nya n ALA 94 Ca -0.11 0.09 -0.18 0.00 0.00 0.00 0.00 53.44 53.24 1nya n ALA 94 Cb 0.39 -1.17 -0.08 0.00 0.00 0.00 0.00 19.45 18.59 1nya n ALA 94 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1nya h SER 95 N 0.00 0.91 -0.33 0.00 0.02 -1.67 -1.80 113.55 110.69 1nya h SER 95 Ca 0.00 -0.64 -0.13 0.00 -0.84 0.00 0.00 61.79 60.18 1nya h SER 95 Cb 0.04 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1nya h SER 95 CO 0.00 1.41 -0.30 0.15 -1.14 0.00 0.00 176.83 176.95 1nya h PHE 96 N 0.48 0.93 -0.31 3.45 3.04 -1.40 -2.98 116.94 120.15 1nya h PHE 96 Ca -0.06 -0.27 -0.11 0.00 3.98 0.00 0.00 57.97 61.51 1nya h PHE 96 Cb 1.40 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.70 1nya h PHE 96 CO 0.09 1.04 -0.26 -0.91 -2.02 0.00 0.00 178.31 176.26 1nya h ASN 97 N 0.55 0.63 0.33 0.41 -0.26 -1.60 -1.14 115.58 114.49 1nya h ASN 97 Ca 0.05 -0.23 -0.02 0.00 -0.56 0.00 0.00 56.30 55.55 1nya h ASN 97 Cb 0.87 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.96 1nya h ASN 97 CO 0.08 0.87 -0.16 -0.09 -1.06 0.00 0.00 177.43 177.07 1nya h ARG 98 N 0.54 -0.42 -0.56 0.81 2.43 -1.29 0.99 114.38 116.88 1nya h ARG 98 Ca 0.07 0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.17 1nya h ARG 98 Cb 0.73 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 1nya h ARG 98 CO 0.06 -0.28 -0.07 -0.24 -1.51 0.00 0.00 179.97 177.92 1nya h VAL 99 N -0.51 1.27 0.00 0.20 3.04 -1.63 -3.22 116.25 115.40 1nya h VAL 99 Ca -0.04 -1.22 -0.15 0.00 -1.01 0.00 0.00 66.70 64.28 1nya h VAL 99 Cb 0.34 0.91 -0.02 0.00 -2.01 0.00 0.00 31.29 30.50 1nya h VAL 99 CO 0.07 0.43 -1.22 0.25 -1.01 0.00 0.00 177.57 176.10 1nya h LEU 100 N 0.92 0.00 -0.96 3.16 5.85 -1.31 -3.40 115.31 119.56 1nya h LEU 100 Ca 0.15 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.98 1nya h LEU 100 Cb 0.63 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.53 1nya h LEU 100 CO 0.04 0.53 -0.53 1.23 -0.34 0.00 0.00 178.44 179.37 1nya h GLY 101 N 3.69 -0.59 2.00 3.75 0.00 0.10 1.04 103.07 113.06 1nya h GLY 101 Ca -0.12 0.72 0.00 0.00 0.00 0.00 0.00 47.33 47.92 1nya h GLY 101 CO 0.05 -0.03 0.00 -1.55 0.00 0.00 0.00 176.54 175.01 1nya n PRO 102 N -5.32 0.03 -0.06 4.80 -0.04 -1.26 -1.99 135.00 131.17 1nya n PRO 102 Ca 0.04 0.36 -0.07 0.00 -0.04 0.00 0.00 63.50 63.79 1nya n PRO 102 Cb 0.30 -1.56 -0.07 0.00 -0.04 0.00 0.00 33.50 32.13 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 0.93 -0.34 0.52 2.07 0.90 -3.11 116.25 117.22 1nya h VAL 103 Ca 0.00 -1.68 -0.12 0.00 0.82 0.00 0.00 66.70 65.72 1nya h VAL 103 Cb 0.18 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1nya h VAL 103 CO 0.00 0.31 -0.28 1.62 0.02 0.00 0.00 177.57 179.25 1nya h VAL 104 N -1.00 1.28 0.35 2.57 3.04 -1.33 -3.25 116.25 117.91 1nya h VAL 104 Ca -0.00 -1.40 -0.00 0.00 -1.01 0.00 0.00 66.70 64.29 1nya h VAL 104 Cb 0.52 1.32 -0.03 0.00 -2.01 0.00 0.00 31.29 31.09 1nya h VAL 104 CO 0.00 0.46 -0.49 0.11 -1.01 0.00 0.00 177.57 176.64 1nya h LYS 105 N 0.60 -0.85 -1.29 4.17 1.57 -1.54 -1.30 116.57 117.93 1nya h LYS 105 Ca 0.08 0.06 0.38 0.00 -1.87 0.00 0.00 60.65 59.30 1nya h LYS 105 Cb 0.78 0.19 -0.09 0.00 0.08 0.00 0.00 32.23 33.19 1nya h LYS 105 CO 0.06 -0.56 0.88 0.78 -0.57 0.00 0.00 179.45 180.04 1nya h GLY 106 N -0.88 0.77 1.18 3.86 0.00 -1.57 0.32 103.07 106.75 1nya h GLY 106 Ca -0.03 -0.09 -0.28 0.00 0.00 0.00 0.00 47.33 46.92 1nya h GLY 106 CO -0.14 -0.17 -1.13 -2.22 0.00 0.00 0.00 176.54 172.87 1nya h ILE 107 N 0.14 1.29 0.00 2.60 2.04 -1.42 -3.26 117.51 118.90 1nya h ILE 107 Ca 0.71 -2.36 -0.04 0.00 1.00 0.00 0.00 64.86 64.17 1nya h ILE 107 Cb 2.36 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 41.03 1nya h ILE 107 CO -0.22 0.72 -0.18 0.58 0.00 0.00 0.00 178.15 179.05 1nya h VAL 108 N 0.28 1.03 -0.01 1.67 2.07 0.68 -2.56 116.25 119.42 1nya h VAL 108 Ca -0.16 -0.63 -0.12 0.00 0.82 0.00 0.00 66.70 66.60 1nya h VAL 108 Cb 1.80 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 1nya h VAL 108 CO 0.22 0.18 -0.57 1.23 0.02 0.00 0.00 177.57 178.64 1nya h GLY 109 N 0.61 0.04 2.00 2.17 0.00 -1.33 -0.33 103.07 106.24 1nya h GLY 109 Ca -0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 1nya h GLY 109 CO 0.02 0.04 -0.35 -0.33 0.00 0.00 0.00 176.54 175.93 1nya h MET 110 N 0.03 0.00 0.00 4.80 2.86 -1.52 -3.31 114.93 117.79 1nya h MET 110 Ca -0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1nya h MET 110 Cb 1.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.68 1nya h MET 110 CO 0.08 0.35 -1.96 0.00 1.06 0.00 0.00 176.91 176.44 1nya s ASP 112 N -4.41 4.99 0.24 0.00 1.01 -0.14 -4.77 116.67 113.58 1nya s ASP 112 Ca -0.08 1.27 0.22 0.00 0.71 0.00 0.00 52.55 54.67 1nya s ASP 112 Cb 0.13 -2.51 0.06 0.00 1.01 0.00 0.00 42.92 41.61 1nya s ASP 112 CO 0.86 -2.42 1.15 0.11 0.21 0.00 0.00 175.17 175.08 1nya h LYS 113 N 17.00 0.00 -0.15 8.23 1.57 -1.90 -3.32 116.57 138.00 1nya h LYS 113 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1nya h LYS 113 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1nya h LYS 113 CO 1.09 0.04 0.00 0.27 -0.57 0.00 0.00 179.45 180.28 1nya n ASN 114 N -2.80 2.57 -3.82 0.86 0.23 -1.26 -5.02 115.26 106.02 1nya n ASN 114 Ca 0.00 -1.74 -0.31 0.00 -0.53 0.00 0.00 54.58 51.99 1nya n ASN 114 Cb 0.58 -0.09 0.01 0.00 -2.08 0.00 0.00 39.78 38.20 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 0.89 -2.69 -0.02 -2.53 0.00 -1.25 -4.89 120.51 110.01 1nya n ALA 115 Ca 0.11 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1nya n ALA 115 Cb 0.42 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 -2.41 0.10 0.00 0.00 5.68 -1.26 -5.01 116.55 113.65 1nya n ASP 116 Ca -0.20 -0.48 0.00 0.00 -0.50 0.00 0.00 54.79 53.62 1nya n ASP 116 Cb 0.62 0.71 0.00 0.00 -1.14 0.00 0.00 41.12 41.31 1nya n ASP 116 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nya n GLY 117 N 0.71 0.56 3.54 6.12 0.00 -1.26 -5.02 105.19 109.83 1nya n GLY 117 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.05 1.80 -0.43 1.61 -0.21 -1.26 -4.45 119.66 116.67 1nya s GLN 118 Ca 0.00 -1.97 -0.05 0.00 0.02 0.00 0.00 55.36 53.36 1nya s GLN 118 Cb 0.00 -1.49 0.11 0.00 1.00 0.00 0.00 33.01 32.63 1nya s GLN 118 CO 0.00 0.02 0.25 0.42 -2.12 0.00 0.00 175.29 173.86 1nya s ILE 119 N -2.79 3.60 0.41 1.08 -1.09 0.19 -4.95 121.20 117.64 1nya s ILE 119 Ca 0.33 -1.95 -0.08 0.00 -2.23 0.00 0.00 60.65 56.73 1nya s ILE 119 Cb 0.06 -3.42 -0.05 0.00 -1.58 0.00 0.00 42.46 37.46 1nya s ILE 119 CO 0.16 -0.71 0.74 0.54 -1.23 0.00 0.00 174.94 174.44 1nya s ASN 120 N 2.10 6.42 0.42 3.58 2.20 -1.26 -1.74 114.94 126.65 1nya s ASN 120 Ca 0.07 0.99 0.25 0.00 -0.94 0.00 0.00 52.86 53.23 1nya s ASN 120 Cb -0.24 -2.27 1.29 0.00 -2.00 0.00 0.00 41.25 38.04 1nya s ASN 120 CO -0.03 -0.43 1.68 0.00 -2.94 0.00 0.00 177.10 175.38 1nya h ALA 121 N 0.97 2.50 -0.02 3.54 0.00 -1.99 1.46 119.26 125.72 1nya h ALA 121 Ca -0.47 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 1nya h ALA 121 Cb 1.19 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1nya h ALA 121 CO 0.63 -1.05 -0.57 0.22 0.00 0.00 0.00 179.25 178.48 1nya h ASP 122 N 0.21 0.08 0.01 0.00 3.58 -1.99 -2.15 116.42 116.16 1nya h ASP 122 Ca 0.73 -0.05 -0.03 0.00 0.42 0.00 0.00 57.03 58.11 1nya h ASP 122 Cb 2.13 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 43.16 1nya h ASP 122 CO -0.39 0.64 -0.13 -0.33 -2.88 0.00 0.00 179.24 176.14 1nya h GLU 123 N 0.06 0.07 -0.10 0.28 5.08 0.15 -3.16 114.58 116.96 1nya h GLU 123 Ca -0.00 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1nya h GLU 123 Cb 1.03 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 1nya h GLU 123 CO 0.08 0.94 -0.08 0.35 -1.00 0.00 0.00 179.01 179.29 1nya h PHE 124 N -0.76 -0.20 -0.79 4.33 3.57 -0.60 -2.56 116.94 119.93 1nya h PHE 124 Ca -0.02 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.59 1nya h PHE 124 Cb 0.99 0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.77 1nya h PHE 124 CO 0.22 -0.13 0.43 0.00 -2.23 0.00 0.00 178.31 176.61 1nya h ALA 125 N 0.98 1.12 -0.61 2.41 0.00 -1.53 -0.88 119.26 120.76 1nya h ALA 125 Ca 0.07 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.16 1nya h ALA 125 Cb 0.20 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1nya h ALA 125 CO -0.16 0.04 0.42 0.00 0.00 0.00 0.00 179.25 179.55 1nya h ALA 126 N 1.46 2.29 0.10 0.00 0.00 -1.42 -1.25 119.26 120.44 1nya h ALA 126 Ca 0.39 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.95 1nya h ALA 126 Cb 0.39 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1nya h ALA 126 CO -0.26 -0.46 -1.82 2.35 0.00 0.00 0.00 179.25 179.06 1nya h TRP 127 N 0.20 0.37 -0.75 0.00 7.01 -1.12 -3.17 115.95 118.50 1nya h TRP 127 Ca 0.29 -0.27 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 1nya h TRP 127 Cb 0.87 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.88 1nya h TRP 127 CO -0.00 1.50 0.39 -0.07 -2.79 0.00 0.00 178.44 177.47 1nya h LEU 128 N 0.06 0.95 -1.07 0.65 3.38 -0.69 -1.13 115.31 117.45 1nya h LEU 128 Ca -0.35 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.46 1nya h LEU 128 Cb 2.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 1nya h LEU 128 CO 0.11 0.79 -0.24 0.71 0.09 0.00 0.00 178.44 179.90 1nya h THR 129 N 1.04 0.58 -0.50 0.22 1.35 -1.36 -0.06 112.91 114.18 1nya h THR 129 Ca 0.26 -1.18 -0.10 0.00 -0.55 0.00 0.00 66.41 64.85 1nya h THR 129 Cb 0.07 1.79 -0.02 0.00 -1.73 0.00 0.00 68.15 68.26 1nya h THR 129 CO -0.04 0.24 -0.08 0.00 -0.25 0.00 0.00 175.52 175.39 1nya h ALA 130 N 1.76 0.92 -0.01 6.62 0.00 -1.19 -2.90 119.26 124.46 1nya h ALA 130 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1nya h ALA 130 Cb 0.77 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1nya h ALA 130 CO 0.03 0.63 -0.08 1.28 0.00 0.00 0.00 179.25 181.11 1nya n LEU 131 N -4.16 0.73 0.00 0.00 4.77 -0.95 -4.89 117.00 112.50 1nya n LEU 131 Ca 0.02 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1nya n LEU 131 Cb 0.37 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1nya n LEU 131 CO 0.44 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1nya n GLY 132 N 1.21 1.74 3.88 -0.72 0.00 -1.09 -5.12 105.19 105.09 1nya n GLY 132 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.30 3.23 0.59 1.61 -1.94 -0.05 -4.99 119.30 117.45 1nya s MET 133 Ca 0.00 -0.64 -0.09 0.00 -1.71 0.00 0.00 55.69 53.25 1nya s MET 133 Cb 0.00 -2.87 -0.03 0.00 2.01 0.00 0.00 34.83 33.94 1nya s MET 133 CO 0.00 0.54 0.97 0.45 -0.01 0.00 0.00 175.02 176.97 1nya s SER 134 N -2.90 6.12 0.50 3.03 0.15 -1.26 -3.87 113.70 115.47 1nya s SER 134 Ca 0.33 1.22 0.19 0.00 0.70 0.00 0.00 55.95 58.39 1nya s SER 134 Cb -0.11 -2.31 1.26 0.00 -1.71 0.00 0.00 66.02 63.14 1nya s SER 134 CO 0.26 -0.86 2.09 0.07 1.20 0.00 0.00 173.24 176.01 1nya h LYS 135 N -0.21 0.00 0.00 5.44 5.09 -1.97 -1.18 116.57 123.74 1nya h LYS 135 Ca -0.45 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.23 1nya h LYS 135 Cb 1.20 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.53 1nya h LYS 135 CO 0.62 0.09 -0.27 0.00 -2.09 0.00 0.00 179.45 177.80 1nya h ALA 136 N 1.91 0.94 -0.06 0.07 0.00 -2.01 -3.21 119.26 116.89 1nya h ALA 136 Ca -0.00 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.45 1nya h ALA 136 Cb 0.17 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1nya h ALA 136 CO 0.01 0.34 -0.79 0.93 0.00 0.00 0.00 179.25 179.75 1nya h GLU 137 N 0.00 0.65 0.74 0.00 5.08 -1.59 -3.07 114.58 116.39 1nya h GLU 137 Ca -0.00 -0.61 -0.03 0.00 -1.00 0.00 0.00 59.36 57.71 1nya h GLU 137 Cb 0.92 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1nya h GLU 137 CO 0.04 1.22 -0.40 0.00 -1.00 0.00 0.00 179.01 178.87 1nya h ALA 138 N 0.44 -1.07 -0.85 3.43 0.00 -1.53 0.39 119.26 120.07 1nya h ALA 138 Ca -0.08 -0.22 0.19 0.00 0.00 0.00 0.00 54.91 54.79 1nya h ALA 138 Cb 1.44 0.46 -0.11 0.00 0.00 0.00 0.00 17.79 19.58 1nya h ALA 138 CO 0.16 -1.11 0.36 0.00 0.00 0.00 0.00 179.25 178.66 1nya h ALA 139 N -0.83 1.29 -0.05 0.00 0.00 -1.68 0.58 119.26 118.57 1nya h ALA 139 Ca -0.10 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1nya h ALA 139 Cb 0.83 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1nya h ALA 139 CO 0.14 -0.27 -0.05 0.93 0.00 0.00 0.00 179.25 180.00 1nya h GLU 140 N 0.43 0.12 -0.29 0.00 4.39 -1.39 -3.04 114.58 114.79 1nya h GLU 140 Ca 0.50 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 60.08 1nya h GLU 140 Cb 0.88 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 1nya h GLU 140 CO -0.48 0.57 -0.07 0.00 -1.16 0.00 0.00 179.01 177.87 1nya h ALA 141 N 0.55 1.34 0.85 3.43 0.00 0.71 -2.74 119.26 123.39 1nya h ALA 141 Ca 0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1nya h ALA 141 Cb 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1nya h ALA 141 CO 0.01 0.45 -0.48 0.35 0.00 0.00 0.00 179.25 179.58 1nya h PHE 142 N 0.45 -1.28 -0.68 0.00 3.04 0.12 -2.61 116.94 115.97 1nya h PHE 142 Ca 0.09 -0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.11 1nya h PHE 142 Cb 0.40 0.45 -0.04 0.00 2.56 0.00 0.00 35.95 39.31 1nya h PHE 142 CO 0.01 -0.74 0.45 -0.91 -2.02 0.00 0.00 178.31 175.11 1nya h ASN 143 N -1.23 0.54 0.52 0.41 4.21 -1.50 -1.73 115.58 116.81 1nya h ASN 143 Ca -0.11 0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.32 1nya h ASN 143 Cb 0.98 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 38.06 1nya h ASN 143 CO 0.14 0.34 -0.40 0.06 -1.29 0.00 0.00 177.43 176.28 1nya h GLN 144 N 0.61 0.00 0.06 0.81 3.07 -1.34 -3.14 115.11 115.17 1nya h GLN 144 Ca 0.31 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.78 1nya h GLN 144 Cb 0.41 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.94 1nya h GLN 144 CO -0.10 0.40 -1.40 0.28 0.09 0.00 0.00 178.83 178.10 1nya h VAL 145 N 0.00 1.27 -0.13 1.86 2.07 -0.95 -3.42 116.25 116.96 1nya h VAL 145 Ca -0.00 -2.98 -0.14 0.00 0.82 0.00 0.00 66.70 64.40 1nya h VAL 145 Cb 0.76 2.72 0.01 0.00 -1.52 0.00 0.00 31.29 33.27 1nya h VAL 145 CO 0.05 0.80 0.40 -0.67 0.02 0.00 0.00 177.57 178.17 1nya n ASP 146 N -3.34 1.61 -0.13 0.57 2.03 -0.89 -4.69 116.55 111.71 1nya n ASP 146 Ca -0.11 -2.53 0.08 0.00 0.52 0.00 0.00 54.79 52.74 1nya n ASP 146 Cb 1.01 -1.58 0.40 0.00 -0.72 0.00 0.00 41.12 40.24 1nya n ASP 146 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1nya h THR 147 N 6.35 0.99 -0.30 5.18 2.02 -1.85 -1.41 112.91 123.90 1nya h THR 147 Ca 0.08 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1nya h THR 147 Cb 0.95 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1nya h THR 147 CO 1.19 0.11 0.00 -0.46 0.37 0.00 0.00 175.52 176.73 1nya n ASN 148 N -4.48 2.66 -4.19 4.18 6.94 -1.26 -4.94 115.26 114.17 1nya n ASN 148 Ca 0.09 -1.88 -0.36 0.00 -0.02 0.00 0.00 54.58 52.42 1nya n ASN 148 Cb 0.25 -0.19 -0.06 0.00 -2.36 0.00 0.00 39.78 37.42 1nya n ASN 148 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1nya n GLY 149 N 1.33 -0.42 0.24 4.83 0.00 -0.53 -4.77 105.19 105.86 1nya n GLY 149 Ca 0.18 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.33 1.22 0.00 1.61 6.94 -1.26 -4.95 115.26 116.49 1nya n ASN 150 Ca 0.10 -0.97 0.00 0.00 -0.02 0.00 0.00 54.58 53.68 1nya n ASN 150 Cb 0.46 0.38 0.00 0.00 -2.36 0.00 0.00 39.78 38.27 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 1.42 0.75 2.95 4.83 0.00 -1.26 -5.05 105.19 108.83 1nya n GLY 151 Ca 0.09 0.00 -0.18 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 -0.47 0.67 -0.47 1.61 2.02 -1.26 -4.67 118.70 116.13 1nya s GLU 152 Ca 0.00 -0.18 -0.12 0.00 0.02 0.00 0.00 54.97 54.68 1nya s GLU 152 Cb 0.00 -0.66 0.10 0.00 0.10 0.00 0.00 34.13 33.66 1nya s GLU 152 CO 0.00 0.05 0.37 -0.51 0.02 0.00 0.00 175.26 175.19 1nya s LEU 153 N 0.30 5.65 0.63 1.80 1.43 -0.71 -4.95 118.68 122.83 1nya s LEU 153 Ca -0.04 -1.62 -0.04 0.00 -1.03 0.00 0.00 54.13 51.40 1nya s LEU 153 Cb -0.08 -2.10 0.04 0.00 0.03 0.00 0.00 46.19 44.08 1nya s LEU 153 CO -0.00 -0.68 0.92 -0.44 0.23 0.00 0.00 176.35 176.38 1nya s SER 154 N 2.73 5.15 0.28 2.29 0.01 -1.26 0.55 113.70 123.45 1nya s SER 154 Ca 0.04 0.40 0.01 0.00 1.31 0.00 0.00 55.95 57.71 1nya s SER 154 Cb -0.26 -1.22 0.65 0.00 0.21 0.00 0.00 66.02 65.41 1nya s SER 154 CO 0.03 -1.33 1.69 0.25 0.41 0.00 0.00 173.24 174.29 1nya h LEU 155 N -0.30 0.21 0.28 2.44 5.85 -1.98 -1.35 115.31 120.47 1nya h LEU 155 Ca -0.44 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1nya h LEU 155 Cb 1.29 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.47 1nya h LEU 155 CO 0.58 -0.02 -0.31 0.44 -0.34 0.00 0.00 178.44 178.79 1nya h ASP 156 N 0.35 -0.85 0.27 1.25 3.32 -1.97 -1.68 116.42 117.11 1nya h ASP 156 Ca 0.52 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.65 1nya h ASP 156 Cb 0.96 0.30 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1nya h ASP 156 CO -0.54 -0.44 0.00 -0.33 -1.72 0.00 0.00 179.24 176.22 1nya h GLU 157 N -0.64 0.00 0.14 3.56 5.08 -1.66 -3.05 114.58 118.01 1nya h GLU 157 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1nya h GLU 157 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1nya h GLU 157 CO -0.08 0.00 -0.07 -0.07 -1.00 0.00 0.00 179.01 177.79 1nya h LEU 158 N 0.00 -0.16 -0.77 1.33 3.38 -0.46 -3.16 115.31 115.47 1nya h LEU 158 Ca 0.00 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.11 1nya h LEU 158 Cb 0.14 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 40.79 1nya h LEU 158 CO 0.00 0.19 -0.32 -0.07 0.09 0.00 0.00 178.44 178.33 1nya h LEU 159 N -0.80 -1.14 -0.46 1.67 3.38 -1.25 0.77 115.31 117.47 1nya h LEU 159 Ca -0.02 0.26 0.09 0.00 0.09 0.00 0.00 57.88 58.30 1nya h LEU 159 Cb 0.15 0.61 -0.08 0.00 0.09 0.00 0.00 40.66 41.43 1nya h LEU 159 CO 0.03 -0.29 -0.04 0.00 0.09 0.00 0.00 178.44 178.23 1nya h THR 160 N -0.08 0.60 -0.04 0.22 1.03 -1.69 0.14 112.91 113.09 1nya h THR 160 Ca 0.31 -0.02 -0.00 0.00 -0.01 0.00 0.00 66.41 66.68 1nya h THR 160 Cb 0.58 0.52 -0.00 0.00 -1.07 0.00 0.00 68.15 68.18 1nya h THR 160 CO -0.81 0.01 0.02 0.00 -0.01 0.00 0.00 175.52 174.73 1nya h ALA 161 N 1.43 0.05 -0.08 0.00 0.00 -0.61 -2.02 119.26 118.03 1nya h ALA 161 Ca 0.23 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1nya h ALA 161 Cb 0.35 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1nya h ALA 161 CO -0.42 -0.39 0.29 0.28 0.00 0.00 0.00 179.25 179.01 1nya h VAL 162 N -0.06 0.11 -1.64 0.00 2.07 0.15 -2.64 116.25 114.24 1nya h VAL 162 Ca 0.01 0.00 0.48 0.00 0.82 0.00 0.00 66.70 68.01 1nya h VAL 162 Cb 0.12 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 1nya h VAL 162 CO -0.00 0.00 1.25 0.08 0.02 0.00 0.00 177.57 178.92 1nya h ARG 163 N 0.00 0.00 -0.29 1.57 0.11 0.00 -3.43 114.38 112.35 1nya h ARG 163 Ca 0.04 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.13 1nya h ARG 163 Cb 0.61 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.69 1nya h ARG 163 CO -0.00 0.00 -0.09 -0.25 0.10 0.00 0.00 179.97 179.73 1nya n ASP 164 N -3.88 -0.65 -3.77 0.08 8.00 -0.99 -4.78 116.55 110.55 1nya n ASP 164 Ca 0.37 0.13 0.00 0.00 0.71 0.00 0.00 54.79 56.00 1nya n ASP 164 Cb 1.75 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 42.90 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 -1.89 -0.67 0.00 1.24 -1.74 -1.26 -4.89 117.46 108.24 1nya n PHE 165 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1nya n PHE 165 Cb 0.05 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.05 1nya n PHE 165 CO 0.00 0.00 0.00 -2.39 -0.56 0.00 0.00 176.76 173.81 1nya n HIS 166 N -0.67 -0.31 -2.86 2.97 1.44 -1.26 -4.96 115.22 109.56 1nya n HIS 166 Ca 0.00 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.59 1nya n HIS 166 Cb 0.00 0.06 0.02 0.00 0.12 0.00 0.00 29.99 30.19 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 -1.34 -2.58 -3.55 -1.40 3.01 -1.26 -4.84 117.46 105.50 1nya n PHE 167 Ca 0.00 -2.22 -0.26 0.00 1.01 0.00 0.00 57.45 55.97 1nya n PHE 167 Cb 0.00 1.08 0.05 0.00 -0.01 0.00 0.00 39.48 40.61 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 1.54 -1.05 0.03 1.37 0.00 -1.26 -4.98 105.19 100.84 1nya n GLY 168 Ca 0.12 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 -3.87 0.00 -4.61 1.61 0.63 -1.26 -5.10 116.66 104.07 1nya n ARG 169 Ca -0.09 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.57 1nya n ARG 169 Cb 0.60 -0.09 -0.10 0.00 0.45 0.00 0.00 32.46 33.31 1nya n ARG 169 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1nya s LEU 170 N -3.33 2.68 0.00 6.15 2.96 -1.26 -5.04 118.68 120.84 1nya s LEU 170 Ca 0.00 -1.41 0.25 0.00 -0.22 0.00 0.00 54.13 52.75 1nya s LEU 170 Cb 0.00 -0.78 0.47 0.00 0.50 0.00 0.00 46.19 46.37 1nya s LEU 170 CO 0.00 -0.53 1.39 0.47 -1.32 0.00 0.00 176.35 176.35 1nya n ASP 171 N -0.97 1.46 0.00 3.68 9.92 -1.26 -4.64 116.55 124.75 1nya n ASP 171 Ca -0.06 -1.17 0.00 0.00 -0.53 0.00 0.00 54.79 53.02 1nya n ASP 171 Cb 0.67 0.26 0.00 0.00 -0.64 0.00 0.00 41.12 41.41 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 -0.34 0.00 -0.74 2.53 0.31 -1.26 -4.91 118.33 113.92 1nya n VAL 172 Ca 0.11 0.98 0.10 0.00 -0.01 0.00 0.00 64.34 65.52 1nya n VAL 172 Cb 0.40 -1.62 -0.03 0.00 -0.91 0.00 0.00 33.84 31.68 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 -0.81 -1.48 0.01 5.55 1.02 -1.26 -5.02 120.64 118.65 1nya n GLU 173 Ca 0.00 0.98 0.00 0.00 -0.02 0.00 0.00 57.16 58.12 1nya n GLU 173 Cb 0.00 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 1nya n GLU 173 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1nya n LEU 174 N -2.41 -0.23 -3.81 -4.62 7.94 -1.26 -4.81 117.00 107.80 1nya n LEU 174 Ca 0.00 0.10 -0.30 0.00 -1.11 0.00 0.00 56.01 54.70 1nya n LEU 174 Cb 0.59 0.42 0.02 0.00 0.53 0.00 0.00 43.42 44.97 1nya n LEU 174 CO 0.01 -0.14 -0.14 0.18 -1.11 0.00 0.00 177.39 176.19 1nya n LEU 175 N -2.05 -2.44 0.00 -1.96 7.99 -1.26 -5.18 117.00 112.10 1nya n LEU 175 Ca 0.00 -1.03 0.00 0.00 -0.01 0.00 0.00 56.01 54.97 1nya n LEU 175 Cb 0.00 -2.28 0.00 0.00 -0.11 0.00 0.00 43.42 41.03 1nya n LEU 175 CO 0.00 0.48 0.00 0.61 -1.51 0.00 0.00 177.39 176.97