#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 0.74 1.09 5.66 -1.26 -4.92 114.28 115.59 1nya n THR 2 Ca 0.00 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.08 1nya n THR 2 Cb 0.00 0.00 0.40 0.00 -1.55 0.00 0.00 70.33 69.18 1nya n THR 2 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nya n ALA 3 N -2.85 1.88 0.09 1.79 0.00 -1.26 -2.82 120.51 117.34 1nya n ALA 3 Ca 0.00 -0.07 -0.17 0.00 0.00 0.00 0.00 53.44 53.19 1nya n ALA 3 Cb 0.00 -1.27 -0.11 0.00 0.00 0.00 0.00 19.45 18.07 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 0.00 1.40 0.00 0.00 2.04 -2.00 -3.25 117.51 115.70 1nya h ILE 4 Ca 0.00 -2.69 -0.01 0.00 1.00 0.00 0.00 64.86 63.15 1nya h ILE 4 Cb 0.18 2.73 -0.00 0.00 -0.74 0.00 0.00 36.82 38.99 1nya h ILE 4 CO 0.00 0.80 -0.06 0.00 0.00 0.00 0.00 178.15 178.89 1nya h ALA 5 N 0.52 1.71 0.60 1.87 0.00 -1.81 -2.86 119.26 119.29 1nya h ALA 5 Ca -0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1nya h ALA 5 Cb 1.85 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.64 1nya h ALA 5 CO 0.21 0.07 -0.29 1.03 0.00 0.00 0.00 179.25 180.27 1nya h SER 6 N 0.00 -0.69 -0.70 0.00 0.87 -1.71 -1.34 113.55 109.98 1nya h SER 6 Ca -0.00 0.00 0.14 0.00 -1.23 0.00 0.00 61.79 60.70 1nya h SER 6 Cb 0.12 0.18 -0.10 0.00 -0.44 0.00 0.00 62.40 62.16 1nya h SER 6 CO 0.01 -0.46 0.22 0.44 -0.53 0.00 0.00 176.83 176.51 1nya h ASP 7 N -0.86 0.13 -0.17 6.23 5.19 -1.64 1.46 116.42 126.76 1nya h ASP 7 Ca -0.08 0.12 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1nya h ASP 7 Cb 0.64 0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.27 1nya h ASP 7 CO 0.14 0.04 0.09 -0.09 -3.12 0.00 0.00 179.24 176.30 1nya h ARG 8 N 0.35 0.23 0.00 3.56 9.65 -1.43 -1.78 114.38 124.96 1nya h ARG 8 Ca 0.38 -0.03 -0.20 0.00 -1.10 0.00 0.00 59.98 59.03 1nya h ARG 8 Cb 0.59 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.12 1nya h ARG 8 CO -0.43 0.23 -0.88 -0.07 2.80 0.00 0.00 179.97 181.63 1nya h LEU 9 N 0.17 0.30 0.63 3.80 3.38 -0.42 -3.03 115.31 120.14 1nya h LEU 9 Ca 0.06 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1nya h LEU 9 Cb 0.07 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.73 1nya h LEU 9 CO -0.01 1.04 -0.30 0.50 0.09 0.00 0.00 178.44 179.76 1nya h LYS 10 N 0.13 -0.82 -0.84 1.13 3.11 0.21 -2.98 116.57 116.51 1nya h LYS 10 Ca -0.05 0.06 0.17 0.00 -2.81 0.00 0.00 60.65 58.02 1nya h LYS 10 Cb 1.51 0.19 -0.10 0.00 -1.00 0.00 0.00 32.23 32.82 1nya h LYS 10 CO 0.14 -0.55 0.39 0.87 -2.81 0.00 0.00 179.45 177.49 1nya h LYS 11 N -0.85 0.49 -1.25 1.90 1.57 -1.45 0.14 116.57 117.11 1nya h LYS 11 Ca -0.09 -0.03 0.37 0.00 -1.87 0.00 0.00 60.65 59.04 1nya h LYS 11 Cb 0.65 -0.11 -0.10 0.00 0.08 0.00 0.00 32.23 32.75 1nya h LYS 11 CO 0.14 0.32 0.83 -0.09 -0.57 0.00 0.00 179.45 180.08 1nya h ARG 12 N 0.50 0.17 0.14 3.15 1.12 -1.39 1.49 114.38 119.55 1nya h ARG 12 Ca 0.48 -0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 59.34 1nya h ARG 12 Cb 0.78 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.71 1nya h ARG 12 CO -0.43 0.11 -0.07 0.35 -3.11 0.00 0.00 179.97 176.83 1nya h PHE 13 N 0.17 -0.17 0.00 2.20 3.04 -0.62 -3.21 116.94 118.36 1nya h PHE 13 Ca 0.71 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.66 1nya h PHE 13 Cb 2.24 0.06 0.00 0.00 2.56 0.00 0.00 35.95 40.80 1nya h PHE 13 CO -0.00 0.29 0.00 0.22 -2.02 0.00 0.00 178.31 176.80 1nya h ASP 14 N -0.84 0.00 1.28 0.41 1.82 -0.86 -2.86 116.42 115.37 1nya h ASP 14 Ca -0.02 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.56 1nya h ASP 14 Cb 0.54 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.54 1nya h ASP 14 CO 0.03 0.00 -0.27 -0.09 -1.61 0.00 0.00 179.24 177.30 1nya h ARG 15 N 0.00 0.00 0.00 0.28 2.43 0.20 -3.42 114.38 113.87 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 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1nya h ARG 15 CO 0.00 0.27 0.00 0.91 -1.51 0.00 0.00 179.97 179.64 1nya n TRP 16 N -3.28 0.00 -3.68 2.20 5.03 -1.08 -5.00 117.44 111.63 1nya n TRP 16 Ca 0.01 0.00 -0.28 0.00 3.03 0.00 0.00 57.50 60.26 1nya n TRP 16 Cb 0.54 0.00 0.01 0.00 -1.03 0.00 0.00 31.31 30.83 1nya n TRP 16 CO 0.00 0.00 0.00 -3.47 -0.03 0.00 0.00 177.69 174.19 1nya n ASP 17 N 0.00 -5.14 -0.09 -0.99 -0.08 -1.24 -4.85 116.55 104.16 1nya n ASP 17 Ca 0.00 -0.69 -0.06 0.00 -1.51 0.00 0.00 54.79 52.53 1nya n ASP 17 Cb 0.00 -1.79 0.01 0.00 2.34 0.00 0.00 41.12 41.68 1nya n ASP 17 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1nya h PHE 18 N 0.46 -0.02 0.00 -0.67 0.04 -1.92 -2.90 116.94 111.93 1nya h PHE 18 Ca -0.60 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.20 1nya h PHE 18 Cb 1.39 0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.60 1nya h PHE 18 CO 0.16 -0.06 -1.19 -0.40 -0.60 0.00 0.00 178.31 176.23 1nya n ASP 19 N -5.17 0.67 -1.24 2.17 5.68 -1.26 -5.00 116.55 112.40 1nya n ASP 19 Ca 0.01 -0.56 -0.04 0.00 -0.50 0.00 0.00 54.79 53.70 1nya n ASP 19 Cb 0.17 1.12 0.01 0.00 -1.14 0.00 0.00 41.12 41.28 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 1.42 0.49 0.08 6.12 0.00 -1.10 -4.97 105.19 107.24 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 -0.37 0.82 -0.11 1.61 6.94 -1.26 -4.94 115.26 117.94 1nya n ASN 21 Ca -0.03 -0.62 -0.01 0.00 -0.02 0.00 0.00 54.58 53.90 1nya n ASN 21 Cb 0.52 0.40 -0.01 0.00 -2.36 0.00 0.00 39.78 38.33 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 1.46 0.48 3.60 4.83 0.00 -1.26 -5.01 105.19 109.29 1nya n GLY 22 Ca 0.07 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.05 -0.50 -0.28 4.61 0.00 -1.26 -4.67 121.76 117.61 1nya s ALA 23 Ca 0.00 -0.67 -0.07 0.00 0.00 0.00 0.00 51.96 51.21 1nya s ALA 23 Cb 0.00 0.98 -0.01 0.00 0.00 0.00 0.00 23.12 24.09 1nya s ALA 23 CO 0.00 -0.86 0.09 -1.17 0.00 0.00 0.00 175.76 173.82 1nya s LEU 24 N -2.97 3.74 0.40 0.00 0.20 -0.05 -4.88 118.68 115.12 1nya s LEU 24 Ca 0.18 -0.50 0.07 0.00 0.69 0.00 0.00 54.13 54.57 1nya s LEU 24 Cb -0.01 -1.92 -0.08 0.00 -0.43 0.00 0.00 46.19 43.75 1nya s LEU 24 CO 0.06 -0.14 -0.00 -1.61 -0.29 0.00 0.00 176.35 174.37 1nya s GLU 25 N 1.56 1.94 0.11 1.98 2.02 -1.26 -2.02 118.70 123.02 1nya s GLU 25 Ca 0.04 -2.09 -0.14 0.00 0.02 0.00 0.00 54.97 52.80 1nya s GLU 25 Cb -0.16 -1.65 -0.08 0.00 0.10 0.00 0.00 34.13 32.34 1nya s GLU 25 CO 0.03 -0.03 1.42 -0.09 0.02 0.00 0.00 175.26 176.62 1nya h ARG 26 N 1.80 0.74 -0.20 1.61 2.43 -1.86 -2.87 114.38 116.04 1nya h ARG 26 Ca -0.44 -0.40 0.06 0.00 -0.81 0.00 0.00 59.98 58.39 1nya h ARG 26 Cb 1.24 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 1nya h ARG 26 CO 0.80 1.02 0.33 0.00 -1.51 0.00 0.00 179.97 180.60 1nya h ALA 27 N 0.71 1.72 0.00 2.80 0.00 -1.97 0.56 119.26 123.08 1nya h ALA 27 Ca 0.05 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1nya h ALA 27 Cb 0.89 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1nya h ALA 27 CO 0.08 -0.43 -0.57 -0.44 0.00 0.00 0.00 179.25 177.89 1nya h ASP 28 N 0.00 0.00 0.02 0.00 3.32 -1.93 -2.92 116.42 114.92 1nya h ASP 28 Ca 0.09 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.88 1nya h ASP 28 Cb 0.75 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.32 1nya h ASP 28 CO -0.00 0.57 -1.02 -0.26 -1.72 0.00 0.00 179.24 176.81 1nya h PHE 29 N 0.00 1.02 -0.64 4.55 0.04 0.03 -2.73 116.94 119.21 1nya h PHE 29 Ca -0.01 -0.55 -0.03 0.00 2.80 0.00 0.00 57.97 60.19 1nya h PHE 29 Cb 1.08 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 39.08 1nya h PHE 29 CO 0.00 1.38 0.28 0.93 -0.60 0.00 0.00 178.31 180.30 1nya h GLU 30 N 0.40 0.92 -0.46 1.51 3.07 -1.45 -2.23 114.58 116.32 1nya h GLU 30 Ca -0.12 -0.13 -0.13 0.00 -0.50 0.00 0.00 59.36 58.48 1nya h GLU 30 Cb 1.67 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 29.40 1nya h GLU 30 CO 0.20 0.73 -0.21 0.87 -1.40 0.00 0.00 179.01 179.20 1nya h LYS 31 N 0.91 0.96 0.07 2.33 1.57 -1.53 -2.86 116.57 118.01 1nya h LYS 31 Ca 0.22 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1nya h LYS 31 Cb 0.14 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1nya h LYS 31 CO -0.02 1.08 -0.13 1.49 -0.57 0.00 0.00 179.45 181.29 1nya h GLU 32 N 0.81 -0.21 -0.85 3.15 4.81 -1.09 0.99 114.58 122.18 1nya h GLU 32 Ca 0.11 0.01 0.21 0.00 -0.13 0.00 0.00 59.36 59.56 1nya h GLU 32 Cb 0.78 0.05 -0.15 0.00 0.63 0.00 0.00 28.75 30.06 1nya h GLU 32 CO 0.06 -0.14 0.01 0.00 -0.73 0.00 0.00 179.01 178.21 1nya h ALA 33 N -1.38 0.93 0.14 2.92 0.00 -1.54 0.31 119.26 120.63 1nya h ALA 33 Ca -0.01 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1nya h ALA 33 Cb 0.21 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1nya h ALA 33 CO -0.05 -0.47 -0.07 1.96 0.00 0.00 0.00 179.25 180.62 1nya h GLN 34 N 0.07 -0.18 -0.22 0.00 4.20 -1.20 0.17 115.11 117.96 1nya h GLN 34 Ca 0.48 0.01 0.06 0.00 0.06 0.00 0.00 58.65 59.27 1nya h GLN 34 Cb 0.91 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 1nya h GLN 34 CO -0.77 -0.01 0.24 1.25 -0.67 0.00 0.00 178.83 178.87 1nya h HIS 35 N -0.32 0.00 0.00 2.96 2.76 0.38 -2.32 115.15 118.61 1nya h HIS 35 Ca -0.02 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.12 1nya h HIS 35 Cb 0.26 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.21 1nya h HIS 35 CO -0.03 0.00 -0.22 0.82 -1.30 0.00 0.00 177.93 177.21 1nya h ILE 36 N 0.00 0.91 -1.01 6.26 2.04 0.17 -3.31 117.51 122.57 1nya h ILE 36 Ca 0.10 -1.75 0.33 0.00 1.00 0.00 0.00 64.86 64.55 1nya h ILE 36 Cb 0.58 1.78 -0.15 0.00 -0.74 0.00 0.00 36.82 38.30 1nya h ILE 36 CO -0.00 0.31 0.58 0.00 0.00 0.00 0.00 178.15 179.04 1nya h ALA 37 N -0.49 1.99 -0.89 1.87 0.00 -0.20 0.66 119.26 122.19 1nya h ALA 37 Ca -0.05 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1nya h ALA 37 Cb 0.66 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1nya h ALA 37 CO -0.03 -0.61 0.56 0.93 0.00 0.00 0.00 179.25 180.10 1nya h GLU 38 N 0.31 1.20 -0.06 0.00 4.39 -1.56 -1.28 114.58 117.58 1nya h GLU 38 Ca 0.74 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 60.36 1nya h GLU 38 Cb 1.72 -0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 30.11 1nya h GLU 38 CO -0.60 0.82 0.19 0.00 -1.16 0.00 0.00 179.01 178.25 1nya h ALA 39 N 1.39 1.38 -0.04 3.43 0.00 0.26 0.57 119.26 126.25 1nya h ALA 39 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 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 -0.06 -0.22 0.00 1.19 0.00 0.00 0.00 179.25 180.16 1nya n PHE 40 N -3.24 0.03 -3.18 0.00 3.01 -0.49 -4.88 117.46 108.72 1nya n PHE 40 Ca -0.01 -0.02 -0.22 0.00 1.01 0.00 0.00 57.45 58.21 1nya n PHE 40 Cb 0.26 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.76 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 1.25 -0.67 0.00 1.37 0.00 0.20 -4.98 105.19 102.35 1nya n GLY 41 Ca 0.17 1.16 0.00 0.00 0.00 0.00 0.00 46.02 47.35 1nya n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nya n LYS 42 N -0.42 0.00 -3.53 1.61 5.02 -1.26 -5.08 118.16 114.50 1nya n LYS 42 Ca 0.01 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1nya n LYS 42 Cb 0.57 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.53 1nya n LYS 42 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nya s ASP 43 N 1.49 -0.53 0.00 4.39 1.01 -1.26 -5.01 116.67 116.76 1nya s ASP 43 Ca 0.00 0.79 0.11 0.00 0.71 0.00 0.00 52.55 54.16 1nya s ASP 43 Cb 0.00 1.43 0.55 0.00 1.01 0.00 0.00 42.92 45.91 1nya s ASP 43 CO 0.00 -0.12 1.29 0.00 0.21 0.00 0.00 175.17 176.56 1nya n ALA 44 N 4.32 1.64 -0.67 5.23 0.00 -1.26 -2.27 120.51 127.51 1nya n ALA 44 Ca -0.14 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.34 1nya n ALA 44 Cb 0.55 -1.18 0.34 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.32 2.92 0.00 0.00 0.00 -1.26 -4.73 105.19 101.80 1nya n GLY 45 Ca 0.05 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 0.86 0.00 -0.09 4.61 0.00 -0.96 -4.97 120.51 119.96 1nya n ALA 46 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.46 1nya n ALA 46 Cb 0.90 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.23 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 0.97 0.31 0.00 0.00 -1.26 -3.88 120.51 113.65 1nya n ALA 47 Ca 0.00 -0.71 0.19 0.00 0.00 0.00 0.00 53.44 52.92 1nya n ALA 47 Cb 0.00 -0.39 1.01 0.00 0.00 0.00 0.00 19.45 20.07 1nya n ALA 47 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1nya h GLU 48 N -0.65 0.00 0.00 0.00 5.08 -1.95 -1.56 114.58 115.50 1nya h GLU 48 Ca -0.47 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.82 1nya h GLU 48 Cb 1.61 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.86 1nya h GLU 48 CO -0.18 0.02 -0.28 -0.24 -1.00 0.00 0.00 179.01 177.33 1nya h VAL 49 N 0.00 1.55 -0.72 3.13 3.04 -1.90 -1.89 116.25 119.46 1nya h VAL 49 Ca -0.00 -1.99 -0.00 0.00 -1.01 0.00 0.00 66.70 63.70 1nya h VAL 49 Cb 0.14 2.80 -0.03 0.00 -2.01 0.00 0.00 31.29 32.18 1nya h VAL 49 CO 0.00 0.55 0.43 -0.61 -1.01 0.00 0.00 177.57 176.93 1nya h GLN 50 N -0.49 0.97 0.49 4.17 4.15 -1.55 -1.11 115.11 121.75 1nya h GLN 50 Ca -0.04 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.28 1nya h GLN 50 Cb 1.05 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 1nya h GLN 50 CO 0.06 0.69 -0.32 1.15 -1.93 0.00 0.00 178.83 178.48 1nya h THR 51 N 0.98 0.34 0.12 2.39 2.02 -1.35 0.14 112.91 117.55 1nya h THR 51 Ca 0.26 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.45 1nya h THR 51 Cb -0.03 0.34 -0.05 0.00 -1.74 0.00 0.00 68.15 66.68 1nya h THR 51 CO -0.05 0.00 -0.50 0.25 0.37 0.00 0.00 175.52 175.59 1nya h LEU 52 N -0.78 -1.50 -0.87 2.58 5.85 -1.10 -0.06 115.31 119.44 1nya h LEU 52 Ca -0.05 0.16 0.17 0.00 0.84 0.00 0.00 57.88 58.99 1nya h LEU 52 Cb 0.64 0.55 -0.10 0.00 0.37 0.00 0.00 40.66 42.13 1nya h LEU 52 CO 0.04 -0.54 0.43 0.11 -0.34 0.00 0.00 178.44 178.14 1nya h LYS 53 N -0.73 0.55 -0.83 1.25 1.57 -1.13 0.28 116.57 117.53 1nya h LYS 53 Ca 0.00 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1nya h LYS 53 Cb 0.75 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.87 1nya h LYS 53 CO -0.28 0.37 0.51 -0.97 -0.57 0.00 0.00 179.45 178.51 1nya h ASN 54 N 0.57 0.80 -0.42 0.86 -1.24 0.45 0.45 115.58 117.05 1nya h ASN 54 Ca 0.49 0.02 -0.11 0.00 0.71 0.00 0.00 56.30 57.41 1nya h ASN 54 Cb 0.77 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.65 1nya h ASN 54 CO -0.41 0.52 -0.14 0.00 -1.29 0.00 0.00 177.43 176.11 1nya h ALA 55 N 1.39 0.59 -0.08 1.57 0.00 0.12 -2.75 119.26 120.10 1nya h ALA 55 Ca 0.36 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1nya h ALA 55 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1nya h ALA 55 CO -0.17 0.51 -0.02 0.74 0.00 0.00 0.00 179.25 180.32 1nya h PHE 56 N 0.67 0.11 0.07 0.00 0.04 0.22 -2.79 116.94 115.27 1nya h PHE 56 Ca 0.10 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.87 1nya h PHE 56 Cb 0.69 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.81 1nya h PHE 56 CO 0.05 0.14 -0.03 0.78 -0.60 0.00 0.00 178.31 178.64 1nya h GLY 57 N 0.30 -0.10 1.33 -1.45 0.00 -0.65 -2.96 103.07 99.54 1nya h GLY 57 Ca 0.03 0.04 0.08 0.00 0.00 0.00 0.00 47.33 47.48 1nya h GLY 57 CO 0.00 -0.04 0.26 -1.33 0.00 0.00 0.00 176.54 175.44 1nya h GLY 58 N -0.34 0.18 0.92 4.60 0.00 -1.40 -1.51 103.07 105.52 1nya h GLY 58 Ca -0.01 -0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.29 1nya h GLY 58 CO 0.02 0.04 0.66 -2.00 0.00 0.00 0.00 176.54 175.25 1nya h LEU 59 N 0.14 1.11 -0.57 3.11 5.85 -1.39 -2.16 115.31 121.41 1nya h LEU 59 Ca 0.17 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1nya h LEU 59 Cb 0.52 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1nya h LEU 59 CO -0.02 0.78 0.36 0.15 -0.34 0.00 0.00 178.44 179.36 1nya h PHE 60 N 1.30 0.68 -0.94 1.25 3.57 -1.29 -2.60 116.94 118.91 1nya h PHE 60 Ca 0.39 0.02 0.24 0.00 3.53 0.00 0.00 57.97 62.14 1nya h PHE 60 Cb -0.05 -0.22 -0.17 0.00 2.79 0.00 0.00 35.95 38.29 1nya h PHE 60 CO -0.00 0.41 -0.03 -0.44 -2.23 0.00 0.00 178.31 176.02 1nya h ASP 61 N 0.72 -0.53 -0.67 0.41 5.19 -1.39 1.20 116.42 121.34 1nya h ASP 61 Ca 0.22 0.26 0.01 0.00 -0.62 0.00 0.00 57.03 56.90 1nya h ASP 61 Cb -0.04 0.48 -0.03 0.00 0.18 0.00 0.00 39.33 39.92 1nya h ASP 61 CO -0.07 -0.31 0.44 0.22 -3.12 0.00 0.00 179.24 176.40 1nya h TYR 62 N 0.03 0.84 0.40 4.55 3.20 -1.50 -1.37 116.97 123.12 1nya h TYR 62 Ca 0.53 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.40 1nya h TYR 62 Cb 1.02 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.01 1nya h TYR 62 CO -0.53 0.53 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.25 1nya h LEU 63 N 0.90 -0.46 -0.30 2.82 3.38 0.14 -0.53 115.31 121.27 1nya h LEU 63 Ca 0.25 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.15 1nya h LEU 63 Cb -0.10 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1nya h LEU 63 CO -0.05 -0.09 -0.01 0.00 0.09 0.00 0.00 178.44 178.37 1nya h ALA 64 N -0.46 0.26 0.03 1.53 0.00 -1.10 0.86 119.26 120.38 1nya h ALA 64 Ca -0.05 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1nya h ALA 64 Cb 0.55 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1nya h ALA 64 CO 0.09 -0.42 -0.02 0.87 0.00 0.00 0.00 179.25 179.78 1nya h LYS 65 N 0.08 -0.04 -0.72 0.00 1.57 -1.30 1.38 116.57 117.54 1nya h LYS 65 Ca 0.15 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1nya h LYS 65 Cb 0.20 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1nya h LYS 65 CO -0.26 0.15 0.28 1.49 -0.57 0.00 0.00 179.45 180.54 1nya h GLU 66 N -0.22 1.08 0.00 3.15 4.57 -0.85 -2.75 114.58 119.56 1nya h GLU 66 Ca -0.00 -0.20 -0.12 0.00 -1.18 0.00 0.00 59.36 57.86 1nya h GLU 66 Cb 0.21 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1nya h GLU 66 CO 0.01 0.89 -0.57 0.00 -1.18 0.00 0.00 179.01 178.16 1nya h ALA 67 N 1.13 0.68 0.00 2.92 0.00 0.85 -3.48 119.26 121.37 1nya h ALA 67 Ca 0.24 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1nya h ALA 67 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1nya h ALA 67 CO -0.02 0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.35 1nya n GLY 68 N 1.04 0.64 3.96 0.00 0.00 0.42 -5.04 105.19 106.21 1nya n GLY 68 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 1nya n GLY 68 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nya s VAL 69 N -2.00 2.71 0.83 1.61 -7.23 0.20 -4.93 120.40 111.59 1nya s VAL 69 Ca 0.00 -1.14 -0.07 0.00 -1.81 0.00 0.00 61.98 58.96 1nya s VAL 69 Cb 0.00 -2.84 0.17 0.00 0.56 0.00 0.00 36.38 34.26 1nya s VAL 69 CO 0.00 0.00 1.15 -0.83 -0.31 0.00 0.00 175.10 175.11 1nya s GLY 70 N -4.32 1.77 0.29 2.32 0.00 -1.26 -3.58 107.32 102.54 1nya s GLY 70 Ca 0.53 -1.55 0.23 0.00 0.00 0.00 0.00 44.72 43.92 1nya s GLY 70 CO 0.32 -0.87 1.68 -1.26 0.00 0.00 0.00 173.10 172.96 1nya n SER 71 N -3.26 0.62 -0.86 1.64 2.88 -1.26 -1.47 113.62 111.90 1nya n SER 71 Ca 0.16 0.71 0.07 0.00 -1.33 0.00 0.00 58.87 58.48 1nya n SER 71 Cb 0.60 -0.82 0.22 0.00 -0.75 0.00 0.00 64.21 63.46 1nya n SER 71 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1nya n ASP 72 N -2.25 3.52 -1.36 -3.46 8.00 -1.26 -4.76 116.55 114.98 1nya n ASP 72 Ca 0.00 -2.41 0.00 0.00 0.71 0.00 0.00 54.79 53.09 1nya n ASP 72 Cb 0.13 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 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 0.25 1.26 3.07 0.44 0.00 -0.54 -5.06 105.19 104.61 1nya n GLY 73 Ca 0.17 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.12 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 0.28 -0.02 1.61 1.04 -1.26 -4.66 113.70 109.70 1nya s SER 74 Ca 0.00 -0.66 0.05 0.00 0.48 0.00 0.00 55.95 55.82 1nya s SER 74 Cb 0.00 0.19 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 1nya s SER 74 CO 0.00 -0.48 -0.14 -0.76 0.98 0.00 0.00 173.24 172.84 1nya s LEU 75 N -2.18 2.75 0.50 2.42 1.02 -0.86 -4.88 118.68 117.46 1nya s LEU 75 Ca -0.04 -0.25 -0.04 0.00 0.02 0.00 0.00 54.13 53.81 1nya s LEU 75 Cb -0.01 -1.58 -0.01 0.00 0.02 0.00 0.00 46.19 44.61 1nya s LEU 75 CO -0.05 0.31 0.79 0.42 0.02 0.00 0.00 176.35 177.84 1nya s THR 76 N -0.82 4.31 0.15 5.49 -4.23 -1.26 -0.87 115.64 118.41 1nya s THR 76 Ca 0.13 -0.05 -0.17 0.00 -1.18 0.00 0.00 61.69 60.42 1nya s THR 76 Cb -0.11 -3.65 0.02 0.00 1.34 0.00 0.00 72.50 70.10 1nya s THR 76 CO 0.03 -0.60 1.73 -0.08 -0.54 0.00 0.00 174.62 175.16 1nya h GLU 77 N 0.15 0.17 -0.16 3.99 4.81 -1.99 0.48 114.58 122.04 1nya h GLU 77 Ca -0.46 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 58.77 1nya h GLU 77 Cb 1.23 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1nya h GLU 77 CO 0.60 0.11 0.11 0.93 -0.73 0.00 0.00 179.01 180.04 1nya h GLU 78 N 0.18 0.14 -0.09 1.92 4.39 -1.99 -1.49 114.58 117.63 1nya h GLU 78 Ca 0.15 -0.01 -0.22 0.00 0.34 0.00 0.00 59.36 59.63 1nya h GLU 78 Cb 0.17 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1nya h GLU 78 CO -0.20 0.09 -0.78 1.96 -1.16 0.00 0.00 179.01 178.92 1nya h GLN 79 N 0.14 0.70 0.04 2.33 1.08 -1.57 -3.05 115.11 114.78 1nya h GLN 79 Ca 0.07 -0.62 0.03 0.00 -1.45 0.00 0.00 58.65 56.67 1nya h GLN 79 Cb 0.09 0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.62 1nya h GLN 79 CO -0.01 1.23 -0.30 0.35 -0.95 0.00 0.00 178.83 179.15 1nya h PHE 80 N 0.38 -0.81 -0.23 2.96 3.57 0.06 -0.26 116.94 122.61 1nya h PHE 80 Ca -0.07 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.51 1nya h PHE 80 Cb 1.43 0.35 -0.06 0.00 2.79 0.00 0.00 35.95 40.47 1nya h PHE 80 CO 0.10 -0.40 -0.13 0.82 -2.23 0.00 0.00 178.31 176.48 1nya h ILE 81 N -0.47 0.61 -0.20 1.41 2.04 -1.49 1.30 117.51 120.71 1nya h ILE 81 Ca 0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.93 1nya h ILE 81 Cb 0.54 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1nya h ILE 81 CO -0.23 0.00 0.06 0.03 0.00 0.00 0.00 178.15 178.01 1nya h ARG 82 N -0.11 0.14 -0.14 2.37 2.47 -1.37 -0.70 114.38 117.04 1nya h ARG 82 Ca 0.13 -0.01 -0.16 0.00 -1.26 0.00 0.00 59.98 58.67 1nya h ARG 82 Cb 0.30 -0.03 0.01 0.00 -1.65 0.00 0.00 29.97 28.59 1nya h ARG 82 CO -0.30 0.10 -0.56 0.28 0.56 0.00 0.00 179.97 180.05 1nya h VAL 83 N 0.15 1.33 -0.62 2.04 2.07 -0.67 -3.22 116.25 117.33 1nya h VAL 83 Ca 0.09 -1.83 0.02 0.00 0.82 0.00 0.00 66.70 65.80 1nya h VAL 83 Cb 0.07 2.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 1nya h VAL 83 CO -0.10 0.56 0.39 0.71 0.02 0.00 0.00 177.57 179.15 1nya h THR 84 N 0.27 1.10 -0.54 2.57 1.35 0.18 -2.47 112.91 115.37 1nya h THR 84 Ca -0.03 -0.26 0.10 0.00 -0.55 0.00 0.00 66.41 65.67 1nya h THR 84 Cb 1.19 0.26 -0.08 0.00 -1.73 0.00 0.00 68.15 67.79 1nya h THR 84 CO 0.12 0.14 0.07 -0.08 -0.25 0.00 0.00 175.52 175.52 1nya h GLU 85 N 0.77 0.19 -1.01 4.72 4.81 -1.17 -1.26 114.58 121.63 1nya h GLU 85 Ca 0.24 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1nya h GLU 85 Cb -0.01 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.28 1nya h GLU 85 CO -0.09 0.13 0.67 -0.91 -0.73 0.00 0.00 179.01 178.08 1nya h ASN 86 N 0.20 1.16 -0.12 1.04 4.21 -1.46 0.24 115.58 120.84 1nya h ASN 86 Ca 0.28 -0.03 0.03 0.00 1.21 0.00 0.00 56.30 57.78 1nya h ASN 86 Cb 0.40 -0.29 -0.02 0.00 -1.12 0.00 0.00 38.32 37.29 1nya h ASN 86 CO -0.39 0.84 -0.04 -0.07 -1.29 0.00 0.00 177.43 176.48 1nya h LEU 87 N 1.36 -0.13 -0.07 1.61 -0.00 -0.88 0.53 115.31 117.73 1nya h LEU 87 Ca 0.37 0.04 -0.05 0.00 -0.00 0.00 0.00 57.88 58.24 1nya h LEU 87 Cb -0.15 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.59 1nya h LEU 87 CO -0.08 -0.05 -0.15 0.40 -0.00 0.00 0.00 178.44 178.56 1nya h ILE 88 N -0.01 1.42 0.00 1.22 2.04 -1.24 -3.42 117.51 117.51 1nya h ILE 88 Ca 0.06 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.45 1nya h ILE 88 Cb 0.10 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1nya h ILE 88 CO -0.13 0.41 0.00 0.49 0.00 0.00 0.00 178.15 178.92 1nya n PHE 89 N -4.60 0.00 0.00 1.37 3.72 0.05 -4.99 117.46 113.01 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 0.38 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 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 -1.46 0.82 -1.43 -1.08 4.07 0.19 -4.91 120.64 116.84 1nya n GLU 90 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1nya n GLU 90 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1nya n GLU 90 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1nya n GLN 91 N -0.26 -4.01 -1.72 5.31 1.13 -1.18 -4.53 117.38 112.12 1nya n GLN 91 Ca 0.00 3.02 -0.30 0.00 -1.94 0.00 0.00 57.00 57.78 1nya n GLN 91 Cb 0.00 -3.51 0.08 0.00 0.11 0.00 0.00 30.24 26.92 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 -3.87 1.62 0.09 1.08 0.00 -1.26 -4.94 107.32 100.04 1nya s GLY 92 Ca 0.00 -0.34 -0.31 0.00 0.00 0.00 0.00 44.72 44.07 1nya s GLY 92 CO 0.00 0.09 1.61 0.83 0.00 0.00 0.00 173.10 175.63 1nya h GLU 93 N -0.95 -0.73 0.00 2.90 5.08 -1.98 -1.46 114.58 117.45 1nya h GLU 93 Ca -0.46 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1nya h GLU 93 Cb 1.28 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1nya h GLU 93 CO 0.62 -0.48 0.00 0.00 -1.00 0.00 0.00 179.01 178.15 1nya n ALA 94 N -2.64 1.08 -0.03 3.43 0.00 -1.26 -2.13 120.51 118.96 1nya n ALA 94 Ca -0.10 0.09 -0.15 0.00 0.00 0.00 0.00 53.44 53.28 1nya n ALA 94 Cb 0.36 -1.16 -0.11 0.00 0.00 0.00 0.00 19.45 18.54 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 0.24 -0.29 0.00 0.02 -1.63 -0.66 113.55 111.23 1nya h SER 95 Ca 0.00 -0.72 -0.07 0.00 -0.84 0.00 0.00 61.79 60.15 1nya h SER 95 Cb 0.03 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1nya h SER 95 CO 0.00 0.93 -0.10 0.15 -1.14 0.00 0.00 176.83 176.67 1nya h PHE 96 N -0.43 0.65 -0.30 3.45 3.04 -1.35 -2.55 116.94 119.44 1nya h PHE 96 Ca -0.02 -0.15 -0.11 0.00 3.98 0.00 0.00 57.97 61.66 1nya h PHE 96 Cb 0.95 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.29 1nya h PHE 96 CO 0.16 0.79 -0.28 -0.91 -2.02 0.00 0.00 178.31 176.05 1nya h ASN 97 N 0.33 0.64 0.35 0.41 4.21 -1.61 0.76 115.58 120.67 1nya h ASN 97 Ca 0.07 -0.24 -0.02 0.00 1.21 0.00 0.00 56.30 57.32 1nya h ASN 97 Cb 0.59 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 1nya h ASN 97 CO 0.03 0.89 -0.17 -0.09 -1.29 0.00 0.00 177.43 176.81 1nya h ARG 98 N 0.54 -0.46 -0.11 0.81 2.43 -1.04 0.54 114.38 117.08 1nya h ARG 98 Ca 0.07 0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.11 1nya h ARG 98 Cb 0.76 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1nya h ARG 98 CO 0.06 -0.31 -0.61 0.28 -1.51 0.00 0.00 179.97 177.88 1nya h VAL 99 N -0.52 1.36 0.00 0.20 2.07 -1.55 -3.28 116.25 114.53 1nya h VAL 99 Ca -0.05 -1.95 -0.22 0.00 0.82 0.00 0.00 66.70 65.30 1nya h VAL 99 Cb 0.36 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 1nya h VAL 99 CO 0.08 0.59 -1.38 0.25 0.02 0.00 0.00 177.57 177.13 1nya h LEU 100 N 0.28 0.00 -0.89 2.57 5.85 -0.94 -3.38 115.31 118.81 1nya h LEU 100 Ca -0.01 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.85 1nya h LEU 100 Cb 1.14 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 42.03 1nya h LEU 100 CO 0.10 0.81 -0.38 1.23 -0.34 0.00 0.00 178.44 179.86 1nya h GLY 101 N 3.50 0.00 2.00 3.75 0.00 0.05 0.94 103.07 113.31 1nya h GLY 101 Ca -0.17 0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1nya h GLY 101 CO 0.07 -0.20 0.00 -0.56 0.00 0.00 0.00 176.54 175.86 1nya h PRO 102 N -0.05 0.00 0.01 4.80 0.13 -1.74 -2.42 132.00 132.73 1nya h PRO 102 Ca 0.31 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.44 1nya h PRO 102 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 1nya h PRO 102 CO -0.91 0.00 -0.00 0.28 -0.23 0.00 0.00 178.00 177.14 1nya h VAL 103 N 0.00 1.27 0.00 1.56 2.07 0.67 -3.18 116.25 118.64 1nya h VAL 103 Ca 0.00 -1.91 -0.06 0.00 0.82 0.00 0.00 66.70 65.55 1nya h VAL 103 Cb 0.41 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 1nya h VAL 103 CO 0.00 0.42 -0.31 0.58 0.02 0.00 0.00 177.57 178.29 1nya h VAL 104 N -0.98 1.08 -0.27 2.57 2.07 -1.13 -2.86 116.25 116.72 1nya h VAL 104 Ca -0.00 -1.10 0.03 0.00 0.82 0.00 0.00 66.70 66.44 1nya h VAL 104 Cb 0.70 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 1nya h VAL 104 CO 0.00 0.30 0.10 0.11 0.02 0.00 0.00 177.57 178.10 1nya h LYS 105 N 0.00 0.22 -0.72 1.57 1.57 -1.53 0.85 116.57 118.52 1nya h LYS 105 Ca -0.00 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.89 1nya h LYS 105 Cb 0.59 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.77 1nya h LYS 105 CO 0.04 0.14 0.29 0.78 -0.57 0.00 0.00 179.45 180.14 1nya h GLY 106 N 0.22 1.08 1.81 3.86 0.00 -1.48 0.00 103.07 108.56 1nya h GLY 106 Ca 0.12 -0.15 -0.15 0.00 0.00 0.00 0.00 47.33 47.15 1nya h GLY 106 CO -0.12 -0.06 -0.66 -2.22 0.00 0.00 0.00 176.54 173.48 1nya h ILE 107 N 0.46 1.42 -0.81 2.60 2.04 -1.50 -3.06 117.51 118.66 1nya h ILE 107 Ca 0.38 -2.14 0.02 0.00 1.00 0.00 0.00 64.86 64.13 1nya h ILE 107 Cb 0.54 2.12 -0.05 0.00 -0.74 0.00 0.00 36.82 38.70 1nya h ILE 107 CO -0.37 0.63 0.53 0.58 0.00 0.00 0.00 178.15 179.52 1nya h VAL 108 N 0.13 1.16 0.00 1.67 2.07 0.97 -3.01 116.25 119.24 1nya h VAL 108 Ca -0.01 -0.36 -0.43 0.00 0.82 0.00 0.00 66.70 66.72 1nya h VAL 108 Cb 1.19 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1nya h VAL 108 CO 0.10 0.19 2.34 0.61 0.02 0.00 0.00 177.57 180.83 1nya n GLY 109 N -1.32 3.39 0.00 2.17 0.00 -0.42 -2.98 105.19 106.04 1nya n GLY 109 Ca 0.09 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1nya n GLY 109 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nya n MET 110 N 3.55 0.00 -1.19 1.61 2.00 -1.14 -4.82 117.12 117.13 1nya n MET 110 Ca 0.54 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 58.00 1nya n MET 110 Cb 0.32 -0.02 0.02 0.00 0.00 0.00 0.00 33.22 33.54 1nya n MET 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1nya s ASP 112 N -0.22 -0.85 -0.02 0.00 -1.08 -1.26 -4.64 116.67 108.60 1nya s ASP 112 Ca 0.46 0.49 0.18 0.00 -0.52 0.00 0.00 52.55 53.16 1nya s ASP 112 Cb 0.34 1.70 0.54 0.00 -1.46 0.00 0.00 42.92 44.04 1nya s ASP 112 CO -0.09 -0.16 1.45 0.29 0.52 0.00 0.00 175.17 177.18 1nya n LYS 113 N 5.44 2.58 -0.01 4.34 5.02 -1.26 -3.95 118.16 130.32 1nya n LYS 113 Ca -0.04 -2.19 0.08 0.00 -2.02 0.00 0.00 58.31 54.15 1nya n LYS 113 Cb 0.53 -1.54 -0.13 0.00 -0.02 0.00 0.00 35.03 33.88 1nya n LYS 113 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1nya n ASN 114 N 1.16 1.26 -2.91 4.39 0.23 -1.26 -5.05 115.26 113.08 1nya n ASN 114 Ca 0.20 -0.03 -0.03 0.00 -0.53 0.00 0.00 54.58 54.19 1nya n ASN 114 Cb 0.56 1.72 0.01 0.00 -2.08 0.00 0.00 39.78 39.99 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 -2.04 -2.35 0.00 -2.53 0.00 -1.25 -4.98 120.51 107.36 1nya n ALA 115 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nya n ALA 115 Cb 0.42 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 -2.00 0.57 0.00 0.00 5.75 -1.26 -5.01 116.55 114.60 1nya n ASP 116 Ca -0.01 -0.41 0.00 0.00 -0.01 0.00 0.00 54.79 54.35 1nya n ASP 116 Cb 0.53 0.94 0.00 0.00 -1.03 0.00 0.00 41.12 41.56 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 1.12 0.82 3.46 6.12 0.00 -1.26 -5.03 105.19 110.40 1nya n GLY 117 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.23 1.62 -0.40 1.61 -1.52 -1.26 -4.48 119.66 115.00 1nya s GLN 118 Ca 0.00 -1.84 -0.03 0.00 -1.95 0.00 0.00 55.36 51.54 1nya s GLN 118 Cb 0.00 -1.23 0.10 0.00 -0.22 0.00 0.00 33.01 31.67 1nya s GLN 118 CO 0.00 0.03 0.19 0.42 -0.25 0.00 0.00 175.29 175.68 1nya s ILE 119 N -2.97 3.30 0.51 1.08 -1.09 0.27 -4.91 121.20 117.38 1nya s ILE 119 Ca 0.31 -1.98 -0.06 0.00 -2.23 0.00 0.00 60.65 56.69 1nya s ILE 119 Cb 0.04 -3.23 -0.04 0.00 -1.58 0.00 0.00 42.46 37.66 1nya s ILE 119 CO 0.13 -0.64 0.83 0.20 -1.23 0.00 0.00 174.94 174.23 1nya s ASN 120 N 1.79 6.25 0.35 3.58 -0.87 -1.26 0.82 114.94 125.60 1nya s ASN 120 Ca 0.07 1.01 0.13 0.00 -1.57 0.00 0.00 52.86 52.50 1nya s ASN 120 Cb -0.23 -2.28 0.97 0.00 -0.02 0.00 0.00 41.25 39.69 1nya s ASN 120 CO -0.04 -0.63 1.74 0.00 -2.57 0.00 0.00 177.10 175.60 1nya h ALA 121 N 0.13 1.95 0.00 0.60 0.00 -1.99 1.47 119.26 121.42 1nya h ALA 121 Ca -0.46 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1nya h ALA 121 Cb 1.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1nya h ALA 121 CO 0.62 -0.41 -0.36 0.22 0.00 0.00 0.00 179.25 179.31 1nya h ASP 122 N 0.51 0.00 0.08 0.00 3.58 -1.95 -1.32 116.42 117.31 1nya h ASP 122 Ca 0.64 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.94 1nya h ASP 122 Cb 1.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.41 1nya h ASP 122 CO -0.42 0.36 -0.73 -0.33 -2.88 0.00 0.00 179.24 175.24 1nya h GLU 123 N 0.00 0.16 -0.31 0.28 5.08 0.13 -3.18 114.58 116.74 1nya h GLU 123 Ca -0.00 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 58.13 1nya h GLU 123 Cb 0.76 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 1nya h GLU 123 CO 0.05 1.13 0.07 0.35 -1.00 0.00 0.00 179.01 179.61 1nya h PHE 124 N -0.63 0.12 -0.61 4.33 3.57 0.83 -2.26 116.94 122.28 1nya h PHE 124 Ca -0.15 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.45 1nya h PHE 124 Cb 1.43 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 40.09 1nya h PHE 124 CO 0.20 0.03 0.27 0.00 -2.23 0.00 0.00 178.31 176.58 1nya h ALA 125 N 1.22 0.80 -0.73 2.41 0.00 -1.38 -0.80 119.26 120.78 1nya h ALA 125 Ca 0.14 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.24 1nya h ALA 125 Cb 0.15 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1nya h ALA 125 CO -0.18 -0.13 0.49 0.00 0.00 0.00 0.00 179.25 179.43 1nya h ALA 126 N 1.39 2.05 0.24 0.00 0.00 -1.39 -1.14 119.26 120.40 1nya h ALA 126 Ca 0.30 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.86 1nya h ALA 126 Cb 0.31 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.06 1nya h ALA 126 CO -0.26 -0.24 -1.54 2.35 0.00 0.00 0.00 179.25 179.56 1nya h TRP 127 N 0.45 0.93 -0.52 0.00 7.01 -0.96 -2.85 115.95 120.01 1nya h TRP 127 Ca 0.35 -0.68 -0.02 0.00 2.11 0.00 0.00 58.89 60.66 1nya h TRP 127 Cb 0.74 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.74 1nya h TRP 127 CO -0.00 1.59 0.26 -0.07 -2.79 0.00 0.00 178.44 177.43 1nya h LEU 128 N 0.14 0.67 -0.79 0.65 3.38 -0.59 -2.36 115.31 116.40 1nya h LEU 128 Ca -0.28 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 1nya h LEU 128 Cb 2.16 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 1nya h LEU 128 CO 0.26 0.59 -0.39 0.71 0.09 0.00 0.00 178.44 179.70 1nya h THR 129 N 0.69 0.87 -0.53 0.22 1.35 -1.33 0.12 112.91 114.30 1nya h THR 129 Ca 0.18 -1.63 -0.08 0.00 -0.55 0.00 0.00 66.41 64.34 1nya h THR 129 Cb 0.09 2.01 -0.02 0.00 -1.73 0.00 0.00 68.15 68.50 1nya h THR 129 CO -0.03 0.38 0.02 0.00 -0.25 0.00 0.00 175.52 175.65 1nya h ALA 130 N 1.61 1.05 -0.00 6.62 0.00 -1.18 -2.69 119.26 124.66 1nya h ALA 130 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1nya h ALA 130 Cb 0.97 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1nya h ALA 130 CO 0.05 0.60 -0.19 1.28 0.00 0.00 0.00 179.25 180.99 1nya n LEU 131 N -4.21 0.51 0.00 0.00 4.77 -1.01 -4.84 117.00 112.22 1nya n LEU 131 Ca 0.03 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1nya n LEU 131 Cb 0.30 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1nya n LEU 131 CO 0.42 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1nya n GLY 132 N 1.36 1.83 3.92 -0.72 0.00 -1.02 -5.12 105.19 105.44 1nya n GLY 132 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.12 3.35 0.46 1.61 -1.94 0.42 -4.98 119.30 118.10 1nya s MET 133 Ca 0.00 -0.63 -0.13 0.00 -1.71 0.00 0.00 55.69 53.22 1nya s MET 133 Cb 0.00 -2.92 -0.07 0.00 2.01 0.00 0.00 34.83 33.85 1nya s MET 133 CO 0.00 0.52 0.87 -1.12 -0.01 0.00 0.00 175.02 175.28 1nya s SER 134 N -3.15 6.56 0.66 3.03 0.01 -1.26 -3.84 113.70 115.70 1nya s SER 134 Ca 0.34 1.33 0.42 0.00 1.31 0.00 0.00 55.95 59.35 1nya s SER 134 Cb -0.11 -2.41 2.34 0.00 0.21 0.00 0.00 66.02 66.05 1nya s SER 134 CO 0.28 -0.49 2.35 0.50 0.41 0.00 0.00 173.24 176.28 1nya h LYS 135 N 1.08 0.00 0.00 12.44 3.64 -1.96 -0.11 116.57 131.66 1nya h LYS 135 Ca -0.47 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.73 1nya h LYS 135 Cb 1.19 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1nya h LYS 135 CO 0.63 0.00 -0.86 0.00 -2.27 0.00 0.00 179.45 176.95 1nya h ALA 136 N 1.98 0.46 -0.16 5.00 0.00 -2.01 -3.25 119.26 121.29 1nya h ALA 136 Ca 0.00 -0.78 -0.21 0.00 0.00 0.00 0.00 54.91 53.92 1nya h ALA 136 Cb 0.02 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.70 1nya h ALA 136 CO -0.00 1.06 -0.74 0.93 0.00 0.00 0.00 179.25 180.49 1nya h GLU 137 N 0.00 0.73 0.60 0.00 5.08 -1.39 -2.98 114.58 116.62 1nya h GLU 137 Ca -0.01 -0.58 -0.03 0.00 -1.00 0.00 0.00 59.36 57.74 1nya h GLU 137 Cb 1.65 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 31.02 1nya h GLU 137 CO 0.11 1.20 -0.34 0.00 -1.00 0.00 0.00 179.01 178.97 1nya h ALA 138 N 0.64 -0.89 -0.83 3.43 0.00 -1.58 0.55 119.26 120.58 1nya h ALA 138 Ca -0.04 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.87 1nya h ALA 138 Cb 1.36 0.41 -0.11 0.00 0.00 0.00 0.00 17.79 19.44 1nya h ALA 138 CO 0.15 -1.01 0.33 0.00 0.00 0.00 0.00 179.25 178.72 1nya h ALA 139 N -0.52 1.23 -0.06 0.00 0.00 -1.64 0.56 119.26 118.83 1nya h ALA 139 Ca -0.08 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1nya h ALA 139 Cb 0.70 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1nya h ALA 139 CO 0.09 -0.27 -0.09 1.49 0.00 0.00 0.00 179.25 180.47 1nya h GLU 140 N 0.42 0.17 -0.66 0.00 4.81 -1.31 -3.15 114.58 114.87 1nya h GLU 140 Ca 0.49 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.57 1nya h GLU 140 Cb 0.84 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 1nya h GLU 140 CO -0.48 0.66 0.26 0.00 -0.73 0.00 0.00 179.01 178.72 1nya h ALA 141 N 0.51 0.85 0.04 2.92 0.00 0.96 -2.57 119.26 121.98 1nya h ALA 141 Ca 0.01 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1nya h ALA 141 Cb 0.64 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1nya h ALA 141 CO 0.02 0.48 -0.46 0.35 0.00 0.00 0.00 179.25 179.64 1nya h PHE 142 N 0.93 -1.32 -0.61 0.00 3.57 0.02 -1.39 116.94 118.15 1nya h PHE 142 Ca 0.22 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.83 1nya h PHE 142 Cb 0.22 0.57 -0.04 0.00 2.79 0.00 0.00 35.95 39.49 1nya h PHE 142 CO 0.01 -0.53 0.40 -0.97 -2.23 0.00 0.00 178.31 174.99 1nya h ASN 143 N -0.64 0.47 -0.36 0.41 -0.73 -1.50 -1.50 115.58 111.73 1nya h ASN 143 Ca 0.03 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.12 1nya h ASN 143 Cb 0.69 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 39.17 1nya h ASN 143 CO -0.31 0.30 -0.08 1.56 -0.37 0.00 0.00 177.43 178.53 1nya h GLN 144 N 0.53 0.78 0.03 6.67 4.20 -0.87 -3.19 115.11 123.27 1nya h GLN 144 Ca 0.27 -0.25 -0.26 0.00 0.06 0.00 0.00 58.65 58.47 1nya h GLN 144 Cb 0.37 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 1nya h GLN 144 CO -0.08 0.84 -1.35 0.28 -0.67 0.00 0.00 178.83 177.86 1nya h VAL 145 N 0.72 1.32 -0.13 -0.54 2.07 -0.66 -3.42 116.25 115.60 1nya h VAL 145 Ca 0.13 -3.05 -0.13 0.00 0.82 0.00 0.00 66.70 64.47 1nya h VAL 145 Cb 0.55 2.71 0.01 0.00 -1.52 0.00 0.00 31.29 33.04 1nya h VAL 145 CO 0.03 0.79 0.38 -0.67 0.02 0.00 0.00 177.57 178.13 1nya n ASP 146 N -3.30 1.61 0.10 0.57 2.03 -0.63 -4.68 116.55 112.25 1nya n ASP 146 Ca -0.09 -2.53 0.15 0.00 0.52 0.00 0.00 54.79 52.83 1nya n ASP 146 Cb 1.00 -1.59 0.66 0.00 -0.72 0.00 0.00 41.12 40.47 1nya n ASP 146 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1nya h THR 147 N 6.37 0.85 -0.45 5.18 1.35 -1.85 -0.81 112.91 123.56 1nya h THR 147 Ca 0.07 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 1nya h THR 147 Cb 0.95 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1nya h THR 147 CO 1.17 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.99 1nya n ASN 148 N -4.45 3.52 -4.46 5.36 0.23 -1.26 -4.96 115.26 109.23 1nya n ASN 148 Ca 0.05 -1.99 -0.40 0.00 -0.53 0.00 0.00 54.58 51.71 1nya n ASN 148 Cb 0.39 -0.29 -0.08 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 1.53 -0.36 0.18 4.83 0.00 -0.31 -4.79 105.19 106.27 1nya n GLY 149 Ca 0.20 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.56 1.20 0.00 1.61 6.94 -1.26 -4.96 115.26 116.22 1nya n ASN 150 Ca 0.04 -0.98 0.00 0.00 -0.02 0.00 0.00 54.58 53.62 1nya n ASN 150 Cb 0.50 0.57 0.00 0.00 -2.36 0.00 0.00 39.78 38.49 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 1.45 0.75 2.95 4.83 0.00 -1.26 -5.04 105.19 108.87 1nya n GLY 151 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.39 0.63 -0.51 1.61 2.02 -1.26 -4.27 118.70 116.53 1nya s GLU 152 Ca 0.00 -0.20 -0.16 0.00 0.02 0.00 0.00 54.97 54.63 1nya s GLU 152 Cb 0.00 -0.62 0.10 0.00 0.10 0.00 0.00 34.13 33.71 1nya s GLU 152 CO 0.00 0.07 0.46 -0.51 0.02 0.00 0.00 175.26 175.30 1nya s LEU 153 N 0.18 5.90 0.58 1.80 1.43 0.24 -4.93 118.68 123.88 1nya s LEU 153 Ca -0.02 -1.56 -0.02 0.00 -1.03 0.00 0.00 54.13 51.50 1nya s LEU 153 Cb -0.06 -2.20 0.03 0.00 0.03 0.00 0.00 46.19 43.98 1nya s LEU 153 CO -0.00 -0.77 0.83 -0.44 0.23 0.00 0.00 176.35 176.20 1nya s SER 154 N 3.13 5.29 0.23 2.29 0.01 -1.26 0.93 113.70 124.32 1nya s SER 154 Ca 0.04 0.24 -0.06 0.00 1.31 0.00 0.00 55.95 57.47 1nya s SER 154 Cb -0.27 -1.14 0.41 0.00 0.21 0.00 0.00 66.02 65.23 1nya s SER 154 CO 0.05 -1.17 1.71 0.25 0.41 0.00 0.00 173.24 174.48 1nya h LEU 155 N -0.07 0.10 0.61 2.44 5.85 -1.98 0.84 115.31 123.10 1nya h LEU 155 Ca -0.44 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 1nya h LEU 155 Cb 1.29 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 1nya h LEU 155 CO 0.56 0.02 -0.45 0.44 -0.34 0.00 0.00 178.44 178.67 1nya h ASP 156 N 0.32 -1.19 0.34 1.25 3.32 -1.97 -1.55 116.42 116.94 1nya h ASP 156 Ca 0.38 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.51 1nya h ASP 156 Cb 0.61 0.37 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1nya h ASP 156 CO -0.44 -0.65 0.00 -0.62 -1.72 0.00 0.00 179.24 175.80 1nya n GLU 157 N -5.25 0.12 -0.08 3.56 1.02 -0.85 -2.11 120.64 117.04 1nya n GLU 157 Ca -0.12 0.48 -0.14 0.00 -0.02 0.00 0.00 57.16 57.36 1nya n GLU 157 Cb 0.44 -1.79 -0.05 0.00 -0.02 0.00 0.00 31.44 30.03 1nya n GLU 157 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1nya h LEU 158 N 0.00 0.77 -0.74 -4.62 6.46 0.17 -3.07 115.31 114.28 1nya h LEU 158 Ca 0.00 -0.50 -0.13 0.00 -0.12 0.00 0.00 57.88 57.12 1nya h LEU 158 Cb 0.17 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 1nya h LEU 158 CO 0.00 1.12 -0.54 -0.07 -0.62 0.00 0.00 178.44 178.33 1nya h LEU 159 N 0.44 0.27 -1.90 2.25 3.38 -1.04 -2.82 115.31 115.90 1nya h LEU 159 Ca 0.03 -0.14 0.14 0.00 0.09 0.00 0.00 57.88 58.00 1nya h LEU 159 Cb 0.94 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1nya h LEU 159 CO 0.08 0.76 0.53 0.74 0.09 0.00 0.00 178.44 180.64 1nya h THR 160 N 0.19 0.34 -0.35 0.22 2.02 -1.43 0.26 112.91 114.15 1nya h THR 160 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1nya h THR 160 Cb 1.02 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1nya h THR 160 CO 0.08 0.00 -0.03 0.00 0.37 0.00 0.00 175.52 175.95 1nya h ALA 161 N 1.41 0.48 -0.68 6.16 0.00 -1.55 -3.13 119.26 121.95 1nya h ALA 161 Ca 0.23 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 54.98 1nya h ALA 161 Cb 1.28 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 1nya h ALA 161 CO -0.00 0.28 0.30 0.28 0.00 0.00 0.00 179.25 180.10 1nya h VAL 162 N 0.45 0.79 0.00 0.00 2.07 -0.64 -3.20 116.25 115.72 1nya h VAL 162 Ca 0.10 -0.17 -0.68 0.00 0.82 0.00 0.00 66.70 66.76 1nya h VAL 162 Cb 0.50 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1nya h VAL 162 CO 0.02 0.09 3.27 -2.11 0.02 0.00 0.00 177.57 178.87 1nya n ARG 163 N -4.93 2.97 -1.14 1.57 1.85 -1.18 -3.71 116.66 112.09 1nya n ARG 163 Ca 0.11 -2.38 -0.00 0.00 -1.00 0.00 0.00 57.85 54.58 1nya n ARG 163 Cb 0.30 -3.08 0.00 0.00 -1.05 0.00 0.00 32.46 28.62 1nya n ARG 163 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1nya n ASP 164 N 5.38 -0.01 0.00 2.89 5.68 -1.21 -5.01 116.55 124.27 1nya n ASP 164 Ca 0.59 -0.65 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 1nya n ASP 164 Cb 0.33 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 1nya n ASP 164 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 1nya n PHE 165 N -0.01 0.00 0.05 2.11 -1.74 -1.24 -3.91 117.46 112.72 1nya n PHE 165 Ca -0.00 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.77 1nya n PHE 165 Cb 0.41 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.36 1nya n PHE 165 CO 0.00 0.00 0.00 1.25 -0.56 0.00 0.00 176.76 177.45 1nya h HIS 166 N 0.00 -0.92 -3.83 2.97 2.76 -1.95 -3.10 115.15 111.07 1nya h HIS 166 Ca 0.00 0.03 -0.65 0.00 -2.20 0.00 0.00 60.37 57.55 1nya h HIS 166 Cb 0.88 0.41 -0.18 0.00 1.55 0.00 0.00 27.41 30.07 1nya h HIS 166 CO 0.00 -0.42 -0.52 -0.59 -1.30 0.00 0.00 177.93 175.10 1nya s PHE 167 N -5.99 3.21 -0.94 5.26 -0.12 -1.26 -4.63 117.98 113.51 1nya s PHE 167 Ca -0.16 -0.01 -0.10 0.00 -0.05 0.00 0.00 56.93 56.61 1nya s PHE 167 Cb 0.09 -2.40 0.01 0.00 -0.63 0.00 0.00 43.02 40.09 1nya s PHE 167 CO 0.65 -0.23 0.67 0.41 -0.05 0.00 0.00 175.22 176.68 1nya n GLY 168 N 5.06 -1.16 3.70 1.99 0.00 -1.26 -4.82 105.19 108.71 1nya n GLY 168 Ca -0.14 0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 1nya n GLY 168 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1nya n ARG 169 N -3.23 2.60 0.00 1.61 1.85 -1.17 -4.84 116.66 113.48 1nya n ARG 169 Ca -0.19 0.94 0.00 0.00 -1.00 0.00 0.00 57.85 57.60 1nya n ARG 169 Cb 0.62 -2.77 0.00 0.00 -1.05 0.00 0.00 32.46 29.26 1nya n ARG 169 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 1nya n LEU 170 N 3.98 0.61 -2.68 2.89 -0.00 -1.25 -5.02 117.00 115.52 1nya n LEU 170 Ca 0.16 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 56.13 1nya n LEU 170 Cb 0.33 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 43.86 1nya n LEU 170 CO 0.64 0.00 0.60 -0.90 -0.00 0.00 0.00 177.39 177.73 1nya n ASP 171 N -0.19 -1.58 0.01 1.45 5.75 -1.26 -5.03 116.55 115.70 1nya n ASP 171 Ca 0.00 -2.40 0.00 0.00 -0.01 0.00 0.00 54.79 52.38 1nya n ASP 171 Cb 0.00 1.35 0.00 0.00 -1.03 0.00 0.00 41.12 41.44 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 0.57 0.00 -0.72 2.12 3.14 -1.26 -4.71 118.33 117.47 1nya n VAL 172 Ca -0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1nya n VAL 172 Cb 0.73 -0.54 0.00 0.00 -1.06 0.00 0.00 33.84 32.97 1nya n VAL 172 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1nya n GLU 173 N -2.57 0.00 0.00 1.45 4.07 -1.26 -4.93 120.64 117.40 1nya n GLU 173 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1nya n GLU 173 Cb 0.02 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.40 1nya n GLU 173 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1nya n LEU 174 N 0.00 0.00 -2.92 4.31 7.94 -1.26 -4.51 117.00 120.56 1nya n LEU 174 Ca 0.00 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.59 1nya n LEU 174 Cb 0.00 0.16 -0.07 0.00 0.53 0.00 0.00 43.42 44.04 1nya n LEU 174 CO 0.00 -0.16 2.78 0.18 -1.11 0.00 0.00 177.39 179.08 1nya n LEU 175 N -1.81 7.66 -0.31 -1.96 4.77 -1.26 -5.16 117.00 118.93 1nya n LEU 175 Ca 0.00 -4.06 0.15 0.00 -0.03 0.00 0.00 56.01 52.07 1nya n LEU 175 Cb 0.00 -1.50 0.68 0.00 -2.33 0.00 0.00 43.42 40.27 1nya n LEU 175 CO 0.00 1.96 0.96 0.61 -1.33 0.00 0.00 177.39 179.59