#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 0.00 1.09 -1.04 -1.26 -4.70 114.28 108.37 1nya n THR 2 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1nya n THR 2 Cb 0.00 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 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 1.20 0.00 0.08 2.41 0.00 -1.26 -3.95 120.51 118.99 1nya n ALA 3 Ca -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.29 1nya n ALA 3 Cb 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.88 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 1.42 -0.60 0.00 1.08 -1.91 -3.31 117.51 114.19 1nya h ILE 4 Ca 0.00 -3.04 -0.04 0.00 -0.39 0.00 0.00 64.86 61.39 1nya h ILE 4 Cb 0.00 2.70 -0.03 0.00 -3.07 0.00 0.00 36.82 36.42 1nya h ILE 4 CO 0.00 0.81 0.20 0.00 -0.69 0.00 0.00 178.15 178.47 1nya h ALA 5 N 1.14 1.22 0.90 1.87 0.00 -1.82 -3.01 119.26 119.55 1nya h ALA 5 Ca -0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1nya h ALA 5 Cb 1.67 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 19.23 1nya h ALA 5 CO 0.11 0.56 -0.45 1.03 0.00 0.00 0.00 179.25 180.50 1nya h SER 6 N 0.88 -1.07 -0.76 0.00 0.87 -1.68 -1.55 113.55 110.24 1nya h SER 6 Ca 0.20 0.04 0.16 0.00 -1.23 0.00 0.00 61.79 60.96 1nya h SER 6 Cb 0.24 0.28 -0.14 0.00 -0.44 0.00 0.00 62.40 62.34 1nya h SER 6 CO -0.01 -0.75 -0.11 -0.78 -0.53 0.00 0.00 176.83 174.65 1nya h ASP 7 N -1.23 -0.57 -0.33 6.23 1.82 -1.69 1.63 116.42 122.30 1nya h ASP 7 Ca -0.12 0.22 -0.01 0.00 -0.39 0.00 0.00 57.03 56.72 1nya h ASP 7 Cb 0.95 0.42 -0.01 0.00 0.68 0.00 0.00 39.33 41.36 1nya h ASP 7 CO 0.19 -0.23 0.15 0.03 -1.61 0.00 0.00 179.24 177.78 1nya h ARG 8 N 0.03 0.47 0.00 0.28 2.47 -1.41 -1.78 114.38 114.45 1nya h ARG 8 Ca 0.39 -0.07 -0.20 0.00 -1.26 0.00 0.00 59.98 58.84 1nya h ARG 8 Cb 0.64 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.87 1nya h ARG 8 CO -0.74 0.44 -0.88 -0.07 0.56 0.00 0.00 179.97 179.28 1nya h LEU 9 N 0.39 0.28 -0.19 3.04 3.38 -0.08 -2.60 115.31 119.53 1nya h LEU 9 Ca 0.11 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1nya h LEU 9 Cb 0.13 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1nya h LEU 9 CO -0.01 1.03 0.11 0.50 0.09 0.00 0.00 178.44 180.15 1nya h LYS 10 N 0.12 0.26 -0.31 1.13 3.11 0.25 -2.90 116.57 118.22 1nya h LYS 10 Ca -0.05 -0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.72 1nya h LYS 10 Cb 1.51 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 32.68 1nya h LYS 10 CO 0.14 0.23 -0.00 0.87 -2.81 0.00 0.00 179.45 177.88 1nya h LYS 11 N 0.21 0.55 -1.12 1.90 1.57 -1.38 -2.66 116.57 115.64 1nya h LYS 11 Ca 0.07 -0.18 0.32 0.00 -1.87 0.00 0.00 60.65 58.99 1nya h LYS 11 Cb 0.05 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1nya h LYS 11 CO -0.01 0.69 0.89 -0.09 -0.57 0.00 0.00 179.45 180.36 1nya h ARG 12 N 0.35 0.00 0.07 3.15 1.12 -1.30 0.50 114.38 118.26 1nya h ARG 12 Ca 0.09 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.95 1nya h ARG 12 Cb 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.40 1nya h ARG 12 CO 0.02 0.00 -0.03 0.35 -3.11 0.00 0.00 179.97 177.19 1nya h PHE 13 N 0.00 -0.09 0.00 2.20 3.57 -1.28 -2.65 116.94 118.69 1nya h PHE 13 Ca 0.53 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.96 1nya h PHE 13 Cb 2.31 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 41.07 1nya h PHE 13 CO 0.00 0.48 -0.32 -0.44 -2.23 0.00 0.00 178.31 175.80 1nya h ASP 14 N -0.86 0.00 1.49 0.41 5.19 -0.94 -2.18 116.42 119.53 1nya h ASP 14 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1nya h ASP 14 Cb 0.61 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.12 1nya h ASP 14 CO 0.02 0.32 0.00 -0.09 -3.12 0.00 0.00 179.24 176.37 1nya h ARG 15 N 0.00 0.00 -3.25 3.56 2.43 -0.19 -3.37 114.38 113.56 1nya h ARG 15 Ca -0.00 0.00 -0.65 0.00 -0.81 0.00 0.00 59.98 58.51 1nya h ARG 15 Cb 0.63 0.00 -0.39 0.00 -0.42 0.00 0.00 29.97 29.79 1nya h ARG 15 CO 0.04 0.00 -0.44 -0.46 -1.51 0.00 0.00 179.97 177.60 1nya s TRP 16 N -3.30 3.57 -0.42 2.20 -0.00 -0.82 -4.95 118.94 115.22 1nya s TRP 16 Ca 0.06 -3.17 0.06 0.00 -0.00 0.00 0.00 56.10 53.05 1nya s TRP 16 Cb 0.08 -2.92 0.17 0.00 -0.00 0.00 0.00 33.47 30.81 1nya s TRP 16 CO 0.59 -0.66 0.53 0.34 -0.00 0.00 0.00 176.95 177.75 1nya s ASP 17 N -0.69 -0.22 0.15 5.86 -1.08 -1.26 -4.86 116.67 114.57 1nya s ASP 17 Ca 0.23 -1.58 -0.19 0.00 -0.52 0.00 0.00 52.55 50.49 1nya s ASP 17 Cb -0.11 1.17 0.05 0.00 -1.46 0.00 0.00 42.92 42.57 1nya s ASP 17 CO -0.11 -0.17 1.67 -0.26 0.52 0.00 0.00 175.17 176.82 1nya h PHE 18 N 6.35 -0.29 0.00 -5.34 0.04 -1.92 -2.88 116.94 112.91 1nya h PHE 18 Ca 0.08 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.88 1nya h PHE 18 Cb 1.09 0.17 0.00 0.00 2.20 0.00 0.00 35.95 39.41 1nya h PHE 18 CO 0.21 -0.19 -1.09 -0.40 -0.60 0.00 0.00 178.31 176.24 1nya n ASP 19 N -5.30 0.84 -2.19 2.17 5.75 -1.26 -4.99 116.55 111.56 1nya n ASP 19 Ca 0.00 -0.81 -0.12 0.00 -0.01 0.00 0.00 54.79 53.85 1nya n ASP 19 Cb 0.22 1.07 0.04 0.00 -1.03 0.00 0.00 41.12 41.41 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 1.47 0.11 0.23 6.12 0.00 -1.09 -4.93 105.19 107.10 1nya n GLY 20 Ca 0.03 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.26 0.95 0.00 1.61 6.94 -1.26 -4.93 115.26 117.31 1nya n ASN 21 Ca -0.04 -0.85 0.00 0.00 -0.02 0.00 0.00 54.58 53.67 1nya n ASN 21 Cb 0.55 0.10 0.00 0.00 -2.36 0.00 0.00 39.78 38.07 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 1.33 0.46 3.66 4.83 0.00 -1.26 -5.02 105.19 109.19 1nya n GLY 22 Ca 0.13 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.01 -0.16 4.61 0.00 -1.26 -4.69 121.76 118.24 1nya s ALA 23 Ca 0.00 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 50.83 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 -0.90 -0.19 -1.17 0.00 0.00 0.00 175.76 173.50 1nya s LEU 24 N -3.16 2.24 0.42 0.00 2.96 -1.06 -4.91 118.68 115.17 1nya s LEU 24 Ca 0.23 -0.58 0.07 0.00 -0.22 0.00 0.00 54.13 53.63 1nya s LEU 24 Cb -0.03 -1.50 -0.06 0.00 0.50 0.00 0.00 46.19 45.11 1nya s LEU 24 CO 0.16 0.05 0.13 -0.70 -1.32 0.00 0.00 176.35 174.68 1nya s GLU 25 N 1.00 2.15 0.32 1.98 2.12 -1.26 -2.99 118.70 122.02 1nya s GLU 25 Ca -0.02 -1.95 0.10 0.00 0.36 0.00 0.00 54.97 53.46 1nya s GLU 25 Cb -0.15 -1.87 0.52 0.00 0.26 0.00 0.00 34.13 32.90 1nya s GLU 25 CO -0.05 -0.13 1.72 -0.09 -0.54 0.00 0.00 175.26 176.17 1nya h ARG 26 N 1.50 0.06 0.00 4.30 1.12 -1.82 -2.43 114.38 117.10 1nya h ARG 26 Ca -0.43 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.41 1nya h ARG 26 Cb 1.25 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.21 1nya h ARG 26 CO 0.73 0.52 0.00 0.00 -3.11 0.00 0.00 179.97 178.11 1nya h ALA 27 N 1.48 1.00 -0.04 2.80 0.00 -1.96 -2.27 119.26 120.27 1nya h ALA 27 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1nya h ALA 27 Cb 0.86 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1nya h ALA 27 CO 0.06 0.00 -0.77 -0.44 0.00 0.00 0.00 179.25 178.10 1nya h ASP 28 N 0.00 0.34 -0.04 0.00 5.19 -1.84 -1.88 116.42 118.19 1nya h ASP 28 Ca 0.00 -0.24 -0.23 0.00 -0.62 0.00 0.00 57.03 55.94 1nya h ASP 28 Cb 0.34 -0.10 0.02 0.00 0.18 0.00 0.00 39.33 39.76 1nya h ASP 28 CO 0.00 0.99 -0.86 -0.26 -3.12 0.00 0.00 179.24 175.99 1nya h PHE 29 N 0.18 0.94 -0.72 4.55 0.04 -1.52 -2.08 116.94 118.33 1nya h PHE 29 Ca -0.03 -0.48 -0.07 0.00 2.80 0.00 0.00 57.97 60.19 1nya h PHE 29 Cb 1.35 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 39.36 1nya h PHE 29 CO 0.03 1.31 0.18 0.93 -0.60 0.00 0.00 178.31 180.17 1nya h GLU 30 N 0.30 1.15 -0.57 1.51 5.08 -1.51 -2.27 114.58 118.27 1nya h GLU 30 Ca -0.10 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 57.90 1nya h GLU 30 Cb 1.52 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 1nya h GLU 30 CO 0.17 1.00 -0.02 0.87 -1.00 0.00 0.00 179.01 180.03 1nya h LYS 31 N 1.09 1.02 0.30 2.33 1.57 -1.36 -2.96 116.57 118.56 1nya h LYS 31 Ca 0.23 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1nya h LYS 31 Cb 0.36 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1nya h LYS 31 CO 0.00 1.02 -0.50 1.49 -0.57 0.00 0.00 179.45 180.89 1nya h GLU 32 N 0.91 -0.82 -0.76 3.15 4.57 -0.98 0.29 114.58 120.94 1nya h GLU 32 Ca 0.16 0.06 0.16 0.00 -1.18 0.00 0.00 59.36 58.55 1nya h GLU 32 Cb 0.58 0.19 -0.14 0.00 -0.16 0.00 0.00 28.75 29.22 1nya h GLU 32 CO 0.03 -0.55 -0.13 0.00 -1.18 0.00 0.00 179.01 177.18 1nya h ALA 33 N -0.76 0.59 -0.22 2.92 0.00 -1.40 0.37 119.26 120.75 1nya h ALA 33 Ca -0.03 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1nya h ALA 33 Cb 0.79 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1nya h ALA 33 CO -0.17 -0.42 0.11 1.96 0.00 0.00 0.00 179.25 180.73 1nya h GLN 34 N 0.02 0.32 -0.77 0.00 4.20 -1.26 -0.70 115.11 116.92 1nya h GLN 34 Ca 0.38 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 59.10 1nya h GLN 34 Cb 0.61 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.28 1nya h GLN 34 CO -0.75 0.33 0.46 1.25 -0.67 0.00 0.00 178.83 179.45 1nya h HIS 35 N 0.23 0.85 0.51 2.96 2.76 0.21 -2.45 115.15 120.21 1nya h HIS 35 Ca 0.08 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 1nya h HIS 35 Cb 0.12 -0.27 0.01 0.00 1.55 0.00 0.00 27.41 28.81 1nya h HIS 35 CO -0.02 0.42 -0.25 0.82 -1.30 0.00 0.00 177.93 177.60 1nya h ILE 36 N 0.84 0.43 -1.06 6.26 2.04 -0.12 -2.92 117.51 122.98 1nya h ILE 36 Ca 0.34 -0.30 0.38 0.00 1.00 0.00 0.00 64.86 66.27 1nya h ILE 36 Cb 0.17 0.55 -0.16 0.00 -0.74 0.00 0.00 36.82 36.65 1nya h ILE 36 CO -0.17 0.05 0.61 0.00 0.00 0.00 0.00 178.15 178.64 1nya h ALA 37 N -0.52 2.19 -0.87 1.87 0.00 -0.90 1.06 119.26 122.09 1nya h ALA 37 Ca -0.07 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1nya h ALA 37 Cb 0.60 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1nya h ALA 37 CO 0.12 -0.87 0.49 1.49 0.00 0.00 0.00 179.25 180.47 1nya h GLU 38 N 0.16 1.20 -0.04 0.00 4.22 -1.26 -1.76 114.58 117.11 1nya h GLU 38 Ca 0.79 -0.13 0.01 0.00 0.08 0.00 0.00 59.36 60.11 1nya h GLU 38 Cb 2.07 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 31.07 1nya h GLU 38 CO -0.63 0.87 0.04 0.00 -2.18 0.00 0.00 179.01 177.11 1nya h ALA 39 N 1.32 1.64 -0.16 2.92 0.00 0.13 0.15 119.26 125.27 1nya h ALA 39 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1nya h ALA 39 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1nya h ALA 39 CO -0.05 -0.06 0.00 1.19 0.00 0.00 0.00 179.25 180.33 1nya n PHE 40 N -3.93 0.19 -3.32 0.00 3.72 -0.67 -4.92 117.46 108.53 1nya n PHE 40 Ca -0.02 -0.10 -0.13 0.00 -0.05 0.00 0.00 57.45 57.16 1nya n PHE 40 Cb 0.13 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 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 1.21 -1.16 1.16 1.37 0.00 0.54 -4.95 105.19 103.36 1nya n GLY 41 Ca 0.17 0.67 -0.02 0.00 0.00 0.00 0.00 46.02 46.84 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 -1.76 0.00 -1.88 1.61 5.02 -1.25 -5.08 118.16 114.83 1nya n LYS 42 Ca -0.10 -1.37 0.00 0.00 -2.02 0.00 0.00 58.31 54.82 1nya n LYS 42 Cb 0.58 0.21 0.00 0.00 -0.02 0.00 0.00 35.03 35.79 1nya n LYS 42 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1nya n ASP 43 N 0.21 -9.57 0.00 4.39 2.03 -1.26 -4.23 116.55 108.13 1nya n ASP 43 Ca -0.10 1.37 0.06 0.00 0.52 0.00 0.00 54.79 56.63 1nya n ASP 43 Cb 0.88 -5.18 0.26 0.00 -0.72 0.00 0.00 41.12 36.36 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 0.33 1.58 -0.55 -1.67 0.00 -1.26 -2.54 120.51 116.40 1nya n ALA 44 Ca 0.00 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.48 1nya n ALA 44 Cb 0.00 -1.19 0.30 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.30 2.90 3.63 0.00 0.00 -1.26 -4.74 105.19 105.43 1nya n GLY 45 Ca 0.04 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 1nya n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nya s ALA 46 N -1.69 0.66 0.05 4.61 0.00 -1.05 -4.90 121.76 119.43 1nya s ALA 46 Ca 0.44 -0.50 -0.20 0.00 0.00 0.00 0.00 51.96 51.70 1nya s ALA 46 Cb 0.28 -3.07 -0.14 0.00 0.00 0.00 0.00 23.12 20.19 1nya s ALA 46 CO 0.22 -3.17 1.36 0.00 0.00 0.00 0.00 175.76 174.17 1nya h ALA 47 N -2.17 0.24 0.00 0.00 0.00 -1.92 -2.97 119.26 112.45 1nya h ALA 47 Ca -0.53 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.05 1nya h ALA 47 Cb 1.33 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1nya h ALA 47 CO 0.52 0.12 -0.02 0.93 0.00 0.00 0.00 179.25 180.81 1nya h GLU 48 N 0.04 0.00 0.03 0.00 4.39 -1.93 -2.20 114.58 114.90 1nya h GLU 48 Ca 0.03 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 1nya h GLU 48 Cb 0.68 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1nya h GLU 48 CO 0.04 0.02 -0.49 0.28 -1.16 0.00 0.00 179.01 177.69 1nya h VAL 49 N 0.00 1.51 -0.92 3.13 2.07 -1.86 -2.71 116.25 117.47 1nya h VAL 49 Ca -0.00 -2.14 0.01 0.00 0.82 0.00 0.00 66.70 65.39 1nya h VAL 49 Cb 0.19 2.82 -0.05 0.00 -1.52 0.00 0.00 31.29 32.73 1nya h VAL 49 CO 0.00 0.60 0.60 -0.61 0.02 0.00 0.00 177.57 178.19 1nya h GLN 50 N -0.34 1.21 0.73 1.57 5.75 -1.30 -2.09 115.11 120.64 1nya h GLN 50 Ca -0.07 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.33 1nya h GLN 50 Cb 1.26 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 29.53 1nya h GLN 50 CO 0.10 0.80 -0.49 1.15 -2.65 0.00 0.00 178.83 177.74 1nya h THR 51 N 1.24 0.03 -0.07 2.39 2.02 -1.44 0.68 112.91 117.77 1nya h THR 51 Ca 0.33 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.55 1nya h THR 51 Cb -0.14 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 66.24 1nya h THR 51 CO -0.07 0.00 -0.42 0.25 0.37 0.00 0.00 175.52 175.65 1nya h LEU 52 N -1.15 -1.30 -0.83 2.58 5.85 -1.25 -0.12 115.31 119.09 1nya h LEU 52 Ca -0.10 0.17 0.18 0.00 0.84 0.00 0.00 57.88 58.97 1nya h LEU 52 Cb 0.93 0.52 -0.11 0.00 0.37 0.00 0.00 40.66 42.38 1nya h LEU 52 CO 0.07 -0.44 0.34 0.50 -0.34 0.00 0.00 178.44 178.57 1nya h LYS 53 N -0.53 0.42 -0.71 1.25 3.64 -1.32 0.51 116.57 119.83 1nya h LYS 53 Ca 0.06 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1nya h LYS 53 Cb 0.64 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 1nya h LYS 53 CO -0.36 0.28 0.42 -0.91 -2.27 0.00 0.00 179.45 176.61 1nya h ASN 54 N 0.43 0.66 0.08 4.20 4.21 0.72 -0.06 115.58 125.82 1nya h ASN 54 Ca 0.48 0.01 -0.00 0.00 1.21 0.00 0.00 56.30 58.00 1nya h ASN 54 Cb 0.82 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.90 1nya h ASN 54 CO -0.47 0.44 -0.04 0.00 -1.29 0.00 0.00 177.43 176.08 1nya h ALA 55 N 1.33 -0.11 -0.64 -0.83 0.00 0.11 -2.97 119.26 116.15 1nya h ALA 55 Ca 0.30 -0.22 0.19 0.00 0.00 0.00 0.00 54.91 55.17 1nya h ALA 55 Cb 0.11 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1nya h ALA 55 CO -0.15 -0.33 0.52 0.74 0.00 0.00 0.00 179.25 180.03 1nya h PHE 56 N -0.57 0.00 0.14 0.00 0.04 0.12 -1.51 116.94 115.16 1nya h PHE 56 Ca -0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1nya h PHE 56 Cb 0.48 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.63 1nya h PHE 56 CO 0.07 0.00 -0.07 0.78 -0.60 0.00 0.00 178.31 178.50 1nya h GLY 57 N 0.00 -0.20 1.59 -1.45 0.00 -0.85 -3.05 103.07 99.11 1nya h GLY 57 Ca 0.30 0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.76 1nya h GLY 57 CO -0.00 -0.07 0.15 -1.33 0.00 0.00 0.00 176.54 175.29 1nya h GLY 58 N -0.57 0.00 1.01 4.60 0.00 -1.21 -1.30 103.07 105.60 1nya h GLY 58 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.33 1nya h GLY 58 CO 0.03 0.00 0.62 -2.00 0.00 0.00 0.00 176.54 175.19 1nya h LEU 59 N 0.00 1.05 -0.61 3.11 5.85 -1.37 -2.15 115.31 121.19 1nya h LEU 59 Ca 0.09 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1nya h LEU 59 Cb 0.40 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1nya h LEU 59 CO -0.00 0.74 0.36 0.15 -0.34 0.00 0.00 178.44 179.34 1nya h PHE 60 N 1.22 0.82 -0.95 1.25 3.04 -1.26 -2.59 116.94 118.47 1nya h PHE 60 Ca 0.36 -0.01 0.29 0.00 3.98 0.00 0.00 57.97 62.59 1nya h PHE 60 Cb -0.06 -0.27 -0.15 0.00 2.56 0.00 0.00 35.95 38.02 1nya h PHE 60 CO -0.00 0.57 0.37 -0.44 -2.02 0.00 0.00 178.31 176.79 1nya h ASP 61 N 0.83 0.16 -0.83 0.41 3.32 -1.41 0.79 116.42 119.70 1nya h ASP 61 Ca 0.22 0.21 0.02 0.00 0.02 0.00 0.00 57.03 57.50 1nya h ASP 61 Cb 0.00 0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 1nya h ASP 61 CO -0.04 -0.21 0.54 0.22 -1.72 0.00 0.00 179.24 178.03 1nya h TYR 62 N 0.20 1.02 0.36 4.55 3.20 -1.49 -1.48 116.97 123.32 1nya h TYR 62 Ca 0.66 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.54 1nya h TYR 62 Cb 1.47 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1nya h TYR 62 CO -0.17 0.61 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.71 1nya h LEU 63 N 1.07 -0.41 -0.40 2.82 3.38 0.53 -0.29 115.31 122.01 1nya h LEU 63 Ca 0.32 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.27 1nya h LEU 63 Cb -0.05 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 1nya h LEU 63 CO -0.09 -0.15 0.01 0.00 0.09 0.00 0.00 178.44 178.30 1nya h ALA 64 N -0.09 0.38 0.07 1.53 0.00 -1.13 0.70 119.26 120.72 1nya h ALA 64 Ca -0.05 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nya h ALA 64 Cb 0.47 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1nya h ALA 64 CO 0.08 -0.38 -0.03 -0.22 0.00 0.00 0.00 179.25 178.70 1nya h LYS 65 N 0.12 -0.09 -0.82 0.00 3.64 -1.26 0.92 116.57 119.09 1nya h LYS 65 Ca 0.20 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 1nya h LYS 65 Cb 0.27 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 1nya h LYS 65 CO -0.32 0.14 0.38 1.49 -2.27 0.00 0.00 179.45 178.87 1nya h GLU 66 N -0.31 1.20 0.00 1.90 4.22 -0.79 -2.64 114.58 118.16 1nya h GLU 66 Ca -0.01 -0.19 -0.10 0.00 0.08 0.00 0.00 59.36 59.14 1nya h GLU 66 Cb 0.27 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1nya h GLU 66 CO 0.02 0.94 -0.49 0.00 -2.18 0.00 0.00 179.01 177.29 1nya h ALA 67 N 1.20 0.72 0.00 2.92 0.00 0.50 -3.48 119.26 121.12 1nya h ALA 67 Ca 0.28 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1nya h ALA 67 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1nya h ALA 67 CO -0.03 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.25 1nya n GLY 68 N 1.05 0.87 3.90 0.00 0.00 0.25 -5.05 105.19 106.21 1nya n GLY 68 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 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 2.61 0.84 1.61 -7.23 0.25 -4.95 120.40 111.52 1nya s VAL 69 Ca 0.00 -1.30 -0.07 0.00 -1.81 0.00 0.00 61.98 58.79 1nya s VAL 69 Cb 0.00 -2.91 0.17 0.00 0.56 0.00 0.00 36.38 34.20 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 -4.19 1.77 0.19 2.32 0.00 -1.26 -3.62 107.32 102.54 1nya s GLY 70 Ca 0.48 -1.56 0.18 0.00 0.00 0.00 0.00 44.72 43.82 1nya s GLY 70 CO 0.28 -0.88 1.54 1.44 0.00 0.00 0.00 173.10 175.48 1nya n SER 71 N -3.26 0.41 -0.58 1.64 7.64 -1.26 -1.57 113.62 116.64 1nya n SER 71 Ca 0.16 0.64 0.06 0.00 1.01 0.00 0.00 58.87 60.73 1nya n SER 71 Cb 0.60 -0.71 0.15 0.00 -1.01 0.00 0.00 64.21 63.24 1nya n SER 71 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1nya n ASP 72 N -2.00 2.99 -1.42 6.43 9.92 -1.26 -4.58 116.55 126.63 1nya n ASP 72 Ca 0.01 -2.27 0.00 0.00 -0.53 0.00 0.00 54.79 52.00 1nya n ASP 72 Cb 0.12 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 1nya n ASP 72 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nya n GLY 73 N 0.06 1.15 3.14 0.44 0.00 -0.61 -5.03 105.19 104.35 1nya n GLY 73 Ca 0.12 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.08 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 0.21 0.01 1.61 0.01 -1.26 -4.61 113.70 108.66 1nya s SER 74 Ca 0.00 -0.63 0.07 0.00 1.31 0.00 0.00 55.95 56.70 1nya s SER 74 Cb 0.00 0.26 -0.03 0.00 0.21 0.00 0.00 66.02 66.46 1nya s SER 74 CO 0.00 -0.58 -0.22 -0.76 0.41 0.00 0.00 173.24 172.08 1nya s LEU 75 N -2.45 2.34 0.66 2.44 1.02 -1.16 -4.89 118.68 116.64 1nya s LEU 75 Ca -0.00 -0.45 -0.05 0.00 0.02 0.00 0.00 54.13 53.65 1nya s LEU 75 Cb 0.02 -1.40 0.05 0.00 0.02 0.00 0.00 46.19 44.87 1nya s LEU 75 CO -0.07 0.29 0.96 0.42 0.02 0.00 0.00 176.35 177.97 1nya s THR 76 N -0.77 2.57 0.11 5.49 -4.23 -1.26 -2.57 115.64 114.98 1nya s THR 76 Ca 0.12 -0.29 -0.21 0.00 -1.18 0.00 0.00 61.69 60.14 1nya s THR 76 Cb -0.10 -3.08 -0.09 0.00 1.34 0.00 0.00 72.50 70.57 1nya s THR 76 CO 0.02 -0.08 1.75 -0.08 -0.54 0.00 0.00 174.62 175.69 1nya h GLU 77 N -0.43 0.20 -0.41 3.99 4.81 -2.00 0.98 114.58 121.73 1nya h GLU 77 Ca -0.44 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 58.80 1nya h GLU 77 Cb 1.30 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 1nya h GLU 77 CO 0.59 0.15 0.27 0.93 -0.73 0.00 0.00 179.01 180.22 1nya h GLU 78 N 0.19 0.44 -0.12 1.92 5.08 -1.99 -1.85 114.58 118.24 1nya h GLU 78 Ca 0.05 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.23 1nya h GLU 78 Cb -0.00 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.16 1nya h GLU 78 CO -0.01 0.29 -0.54 1.96 -1.00 0.00 0.00 179.01 179.71 1nya h GLN 79 N 0.45 0.58 -0.21 2.33 4.20 -1.77 -3.15 115.11 117.54 1nya h GLN 79 Ca 0.16 -0.46 0.06 0.00 0.06 0.00 0.00 58.65 58.47 1nya h GLN 79 Cb 0.09 0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.90 1nya h GLN 79 CO -0.04 1.08 -0.22 0.35 -0.67 0.00 0.00 178.83 179.34 1nya h PHE 80 N 0.21 -0.57 -0.22 2.96 3.57 -0.03 -1.92 116.94 120.94 1nya h PHE 80 Ca -0.03 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1nya h PHE 80 Cb 1.17 0.28 -0.07 0.00 2.79 0.00 0.00 35.95 40.13 1nya h PHE 80 CO 0.11 -0.29 -0.27 0.82 -2.23 0.00 0.00 178.31 176.44 1nya h ILE 81 N -0.23 0.35 0.38 1.41 2.04 -1.46 1.18 117.51 121.18 1nya h ILE 81 Ca 0.13 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 1nya h ILE 81 Cb 0.43 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1nya h ILE 81 CO -0.35 0.00 -0.38 0.03 0.00 0.00 0.00 178.15 177.45 1nya h ARG 82 N -0.29 -0.76 -0.23 2.37 3.08 -1.42 0.14 114.38 117.27 1nya h ARG 82 Ca 0.13 0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.07 1nya h ARG 82 Cb 0.49 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1nya h ARG 82 CO -0.38 -0.50 -0.48 -0.24 -1.07 0.00 0.00 179.97 177.29 1nya h VAL 83 N -0.79 1.31 -0.26 2.04 3.04 -1.20 -3.16 116.25 117.23 1nya h VAL 83 Ca -0.03 -1.69 -0.01 0.00 -1.01 0.00 0.00 66.70 63.96 1nya h VAL 83 Cb 0.70 1.65 -0.01 0.00 -2.01 0.00 0.00 31.29 31.62 1nya h VAL 83 CO -0.06 0.53 0.12 0.74 -1.01 0.00 0.00 177.57 177.89 1nya h THR 84 N 0.49 1.16 -0.53 3.17 2.02 0.16 -2.89 112.91 116.49 1nya h THR 84 Ca 0.03 -0.46 0.11 0.00 0.77 0.00 0.00 66.41 66.85 1nya h THR 84 Cb 1.02 0.98 -0.10 0.00 -1.74 0.00 0.00 68.15 68.31 1nya h THR 84 CO 0.10 0.16 -0.11 -0.08 0.37 0.00 0.00 175.52 175.95 1nya h GLU 85 N 0.28 0.01 -0.58 6.66 4.81 -0.70 -0.06 114.58 125.00 1nya h GLU 85 Ca 0.09 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 1nya h GLU 85 Cb 0.14 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1nya h GLU 85 CO -0.01 0.01 0.39 -0.91 -0.73 0.00 0.00 179.01 177.76 1nya h ASN 86 N 0.01 0.54 -0.13 1.04 4.21 -1.49 0.80 115.58 120.56 1nya h ASN 86 Ca 0.26 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.77 1nya h ASN 86 Cb 0.39 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 1nya h ASN 86 CO -0.53 0.36 0.08 -0.07 -1.29 0.00 0.00 177.43 175.98 1nya h LEU 87 N 0.62 0.13 -0.17 1.61 3.38 -0.81 0.47 115.31 120.54 1nya h LEU 87 Ca 0.24 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.99 1nya h LEU 87 Cb 0.19 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.92 1nya h LEU 87 CO -0.07 0.10 -0.80 0.40 0.09 0.00 0.00 178.44 178.16 1nya h ILE 88 N 0.17 1.29 0.00 1.22 2.04 -1.20 -3.42 117.51 117.60 1nya h ILE 88 Ca 0.05 -2.02 0.00 0.00 1.00 0.00 0.00 64.86 63.89 1nya h ILE 88 Cb -0.01 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 1nya h ILE 88 CO -0.02 0.64 0.00 0.49 0.00 0.00 0.00 178.15 179.26 1nya n PHE 89 N -3.92 0.00 -0.02 1.37 3.01 0.23 -5.00 117.46 113.13 1nya n PHE 89 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 1nya n PHE 89 Cb 0.76 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.23 1nya n PHE 89 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1nya n GLU 90 N -0.50 0.48 -0.75 -1.08 1.02 0.16 -4.95 120.64 115.03 1nya n GLU 90 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1nya n GLU 90 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1nya n GLU 90 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1nya n GLN 91 N -0.35 -1.69 -0.83 3.49 3.00 -1.22 -4.46 117.38 115.31 1nya n GLN 91 Ca 0.00 1.35 -0.32 0.00 -0.01 0.00 0.00 57.00 58.02 1nya n GLN 91 Cb 0.00 -1.32 0.15 0.00 0.00 0.00 0.00 30.24 29.08 1nya n GLN 91 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1nya s GLY 92 N -0.85 1.80 0.11 1.08 0.00 -1.26 -4.88 107.32 103.32 1nya s GLY 92 Ca 0.00 0.63 -0.27 0.00 0.00 0.00 0.00 44.72 45.08 1nya s GLY 92 CO 0.00 1.05 1.64 -2.09 0.00 0.00 0.00 173.10 173.70 1nya h GLU 93 N -1.59 -0.46 0.00 2.90 4.22 -1.98 -1.06 114.58 116.61 1nya h GLU 93 Ca -0.44 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.03 1nya h GLU 93 Cb 1.27 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1nya h GLU 93 CO 0.43 -0.31 0.00 0.00 -2.18 0.00 0.00 179.01 176.95 1nya n ALA 94 N -2.58 1.13 -0.01 2.92 0.00 -1.26 -2.26 120.51 118.45 1nya n ALA 94 Ca -0.07 0.04 -0.16 0.00 0.00 0.00 0.00 53.44 53.24 1nya n ALA 94 Cb 0.28 -1.11 -0.10 0.00 0.00 0.00 0.00 19.45 18.52 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 0.53 -0.35 0.00 0.87 -1.53 -1.51 113.55 111.56 1nya h SER 95 Ca 0.00 -0.70 -0.10 0.00 -1.23 0.00 0.00 61.79 59.76 1nya h SER 95 Cb 0.05 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1nya h SER 95 CO 0.00 1.15 -0.17 0.15 -0.53 0.00 0.00 176.83 177.43 1nya h PHE 96 N -0.05 0.84 -0.30 2.24 3.04 -1.45 -2.77 116.94 118.49 1nya h PHE 96 Ca -0.05 -0.21 -0.10 0.00 3.98 0.00 0.00 57.97 61.59 1nya h PHE 96 Cb 1.19 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.49 1nya h PHE 96 CO 0.13 0.93 -0.22 -0.97 -2.02 0.00 0.00 178.31 176.16 1nya h ASN 97 N 0.52 0.57 0.60 0.41 -1.24 -1.63 0.92 115.58 115.73 1nya h ASN 97 Ca 0.08 -0.19 -0.03 0.00 0.71 0.00 0.00 56.30 56.87 1nya h ASN 97 Cb 0.71 -0.16 0.01 0.00 0.73 0.00 0.00 38.32 39.61 1nya h ASN 97 CO 0.05 0.79 -0.29 -0.09 -1.29 0.00 0.00 177.43 176.60 1nya h ARG 98 N 0.51 -0.78 -0.06 6.67 2.43 -1.18 0.60 114.38 122.56 1nya h ARG 98 Ca 0.08 0.05 -0.21 0.00 -0.81 0.00 0.00 59.98 59.09 1nya h ARG 98 Cb 0.66 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1nya h ARG 98 CO 0.05 -0.52 -0.81 0.28 -1.51 0.00 0.00 179.97 177.46 1nya h VAL 99 N -0.95 1.37 0.00 0.20 2.07 -1.57 -3.32 116.25 114.05 1nya h VAL 99 Ca -0.08 -2.21 -0.20 0.00 0.82 0.00 0.00 66.70 65.02 1nya h VAL 99 Cb 0.62 2.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.55 1nya h VAL 99 CO 0.14 0.67 -1.43 0.25 0.02 0.00 0.00 177.57 177.22 1nya h LEU 100 N 0.31 0.00 -0.95 2.57 5.85 -0.92 -3.40 115.31 118.77 1nya h LEU 100 Ca -0.05 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.77 1nya h LEU 100 Cb 1.42 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.32 1nya h LEU 100 CO 0.15 0.71 -0.54 1.23 -0.34 0.00 0.00 178.44 179.65 1nya h GLY 101 N 3.61 -0.64 2.00 3.75 0.00 0.22 1.16 103.07 113.18 1nya h GLY 101 Ca -0.18 0.73 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1nya h GLY 101 CO 0.06 -0.02 0.00 -1.55 0.00 0.00 0.00 176.54 175.03 1nya n PRO 102 N -5.31 0.05 -0.06 4.80 -0.04 -1.26 -1.57 135.00 131.60 1nya n PRO 102 Ca 0.03 0.42 -0.07 0.00 -0.04 0.00 0.00 63.50 63.84 1nya n PRO 102 Cb 0.30 -1.62 -0.07 0.00 -0.04 0.00 0.00 33.50 32.07 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 0.88 -0.24 0.52 2.07 0.11 -3.12 116.25 116.47 1nya h VAL 103 Ca 0.00 -1.67 -0.13 0.00 0.82 0.00 0.00 66.70 65.72 1nya h VAL 103 Cb 0.14 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1nya h VAL 103 CO 0.00 0.30 -0.40 0.58 0.02 0.00 0.00 177.57 178.07 1nya h VAL 104 N -1.00 1.30 0.27 2.57 2.07 -1.23 -3.22 116.25 117.01 1nya h VAL 104 Ca -0.01 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 65.96 1nya h VAL 104 Cb 0.53 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1nya h VAL 104 CO -0.01 0.49 -0.29 0.11 0.02 0.00 0.00 177.57 177.90 1nya h LYS 105 N 0.46 -0.57 -1.31 1.57 1.57 -1.44 -1.93 116.57 114.92 1nya h LYS 105 Ca 0.04 0.04 0.38 0.00 -1.87 0.00 0.00 60.65 59.24 1nya h LYS 105 Cb 0.89 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 33.26 1nya h LYS 105 CO 0.08 -0.38 0.91 0.78 -0.57 0.00 0.00 179.45 180.27 1nya h GLY 106 N -0.60 0.42 1.15 3.86 0.00 -1.55 0.51 103.07 106.86 1nya h GLY 106 Ca -0.01 -0.06 -0.22 0.00 0.00 0.00 0.00 47.33 47.05 1nya h GLY 106 CO -0.07 -0.08 -0.76 -2.22 0.00 0.00 0.00 176.54 173.40 1nya h ILE 107 N 0.09 1.28 -0.38 2.60 2.04 -1.44 -3.20 117.51 118.51 1nya h ILE 107 Ca 0.67 -1.97 -0.05 0.00 1.00 0.00 0.00 64.86 64.51 1nya h ILE 107 Cb 2.42 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 40.50 1nya h ILE 107 CO -0.12 0.62 0.02 0.58 0.00 0.00 0.00 178.15 179.25 1nya h VAL 108 N 0.50 1.20 -0.43 1.67 2.07 0.34 -2.40 116.25 119.20 1nya h VAL 108 Ca -0.05 -0.80 -0.07 0.00 0.82 0.00 0.00 66.70 66.60 1nya h VAL 108 Cb 1.40 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1nya h VAL 108 CO 0.16 0.28 -0.04 1.23 0.02 0.00 0.00 177.57 179.21 1nya h GLY 109 N 0.86 0.78 2.00 2.17 0.00 -1.30 -1.58 103.07 106.00 1nya h GLY 109 Ca 0.12 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 1nya h GLY 109 CO 0.01 0.49 -0.48 0.00 0.00 0.00 0.00 176.54 176.56 1nya h MET 110 N 0.67 0.00 0.00 4.80 -0.00 -1.50 -3.42 114.93 115.48 1nya h MET 110 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.83 1nya h MET 110 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.07 1nya h MET 110 CO 0.02 0.48 0.00 0.00 -0.00 0.00 0.00 176.91 177.41 1nya n ASP 112 N -0.63 0.00 0.00 0.00 9.92 -0.62 -4.68 116.55 120.54 1nya n ASP 112 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1nya n ASP 112 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1nya n ASP 112 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1nya n LYS 113 N 0.00 0.00 -0.02 -1.24 4.81 -1.26 -4.74 118.16 115.71 1nya n LYS 113 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 1nya n LYS 113 Cb 0.00 -0.38 -0.11 0.00 0.02 0.00 0.00 35.03 34.56 1nya n LYS 113 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1nya n ASN 114 N 0.03 1.84 -2.55 3.14 0.23 -1.26 -5.05 115.26 111.64 1nya n ASN 114 Ca 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 54.58 54.00 1nya n ASN 114 Cb 0.00 1.43 0.02 0.00 -2.08 0.00 0.00 39.78 39.16 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 -2.10 -1.93 -0.03 -2.53 0.00 -1.26 -4.99 120.51 107.67 1nya n ALA 115 Ca -0.07 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1nya n ALA 115 Cb 0.50 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.45 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 -2.07 0.09 0.00 0.00 5.68 -1.26 -5.01 116.55 113.98 1nya n ASP 116 Ca -0.02 -0.45 0.00 0.00 -0.50 0.00 0.00 54.79 53.82 1nya n ASP 116 Cb 0.54 0.65 0.00 0.00 -1.14 0.00 0.00 41.12 41.17 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 0.65 0.58 3.53 6.12 0.00 -1.26 -5.02 105.19 109.79 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 -0.04 1.79 -0.47 1.61 -0.21 -1.26 -4.69 119.66 116.39 1nya s GLN 118 Ca 0.00 -1.93 -0.06 0.00 0.02 0.00 0.00 55.36 53.39 1nya s GLN 118 Cb 0.00 -1.61 0.12 0.00 1.00 0.00 0.00 33.01 32.52 1nya s GLN 118 CO 0.00 0.10 0.30 0.42 -2.12 0.00 0.00 175.29 174.00 1nya s ILE 119 N -2.68 3.75 0.49 1.08 -1.09 -0.21 -4.90 121.20 117.65 1nya s ILE 119 Ca 0.32 -2.08 -0.08 0.00 -2.23 0.00 0.00 60.65 56.58 1nya s ILE 119 Cb 0.03 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 37.37 1nya s ILE 119 CO 0.16 -0.76 0.84 0.20 -1.23 0.00 0.00 174.94 174.15 1nya s ASN 120 N 2.01 6.32 0.38 3.58 -0.87 -1.26 -1.65 114.94 123.44 1nya s ASN 120 Ca 0.09 1.08 0.16 0.00 -1.57 0.00 0.00 52.86 52.62 1nya s ASN 120 Cb -0.23 -2.31 1.06 0.00 -0.02 0.00 0.00 41.25 39.74 1nya s ASN 120 CO -0.03 -0.60 1.76 0.00 -2.57 0.00 0.00 177.10 175.66 1nya h ALA 121 N 0.34 2.13 0.00 0.60 0.00 -1.99 1.24 119.26 121.59 1nya h ALA 121 Ca -0.46 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1nya h ALA 121 Cb 1.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1nya h ALA 121 CO 0.62 -0.56 -0.34 -0.44 0.00 0.00 0.00 179.25 178.53 1nya h ASP 122 N 0.44 0.00 0.07 0.00 5.19 -1.98 -1.37 116.42 118.77 1nya h ASP 122 Ca 0.61 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.85 1nya h ASP 122 Cb 1.46 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.96 1nya h ASP 122 CO -0.34 0.34 -0.88 -0.33 -3.12 0.00 0.00 179.24 174.91 1nya h GLU 123 N 0.00 0.14 0.03 3.56 5.08 0.86 -3.17 114.58 121.07 1nya h GLU 123 Ca -0.00 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1nya h GLU 123 Cb 0.77 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 1nya h GLU 123 CO 0.04 1.12 -0.16 0.35 -1.00 0.00 0.00 179.01 179.36 1nya h PHE 124 N -0.64 -0.40 -0.69 4.33 3.57 0.24 -2.46 116.94 120.88 1nya h PHE 124 Ca -0.20 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.40 1nya h PHE 124 Cb 1.44 0.18 -0.07 0.00 2.79 0.00 0.00 35.95 40.29 1nya h PHE 124 CO 0.18 -0.23 0.34 0.00 -2.23 0.00 0.00 178.31 176.37 1nya h ALA 125 N 0.64 0.94 -0.60 2.41 0.00 -1.41 -0.11 119.26 121.14 1nya h ALA 125 Ca 0.04 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.13 1nya h ALA 125 Cb 0.32 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1nya h ALA 125 CO -0.13 -0.05 0.41 0.00 0.00 0.00 0.00 179.25 179.48 1nya h ALA 126 N 1.41 2.21 0.16 0.00 0.00 -1.42 -0.66 119.26 120.97 1nya h ALA 126 Ca 0.33 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.89 1nya h ALA 126 Cb 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1nya h ALA 126 CO -0.26 -0.36 -1.75 2.35 0.00 0.00 0.00 179.25 179.23 1nya h TRP 127 N 0.26 0.63 -0.73 0.00 7.01 -0.87 -2.96 115.95 119.29 1nya h TRP 127 Ca 0.28 -0.46 0.01 0.00 2.11 0.00 0.00 58.89 60.84 1nya h TRP 127 Cb 0.77 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.76 1nya h TRP 127 CO -0.00 1.68 0.48 -0.07 -2.79 0.00 0.00 178.44 177.74 1nya h LEU 128 N 0.03 0.81 -1.12 0.65 3.38 -0.61 0.35 115.31 118.80 1nya h LEU 128 Ca -0.36 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 1nya h LEU 128 Cb 2.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.58 1nya h LEU 128 CO 0.14 0.58 -0.17 0.71 0.09 0.00 0.00 178.44 179.79 1nya h THR 129 N 0.96 0.41 -0.52 0.22 1.35 -1.26 -0.14 112.91 113.94 1nya h THR 129 Ca 0.28 -1.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.04 1nya h THR 129 Cb -0.07 1.73 -0.02 0.00 -1.73 0.00 0.00 68.15 68.06 1nya h THR 129 CO -0.07 0.17 -0.07 0.00 -0.25 0.00 0.00 175.52 175.30 1nya h ALA 130 N 1.83 0.91 -0.00 6.62 0.00 -0.77 -2.73 119.26 125.12 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 0.72 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1nya h ALA 130 CO 0.02 0.64 -0.11 1.28 0.00 0.00 0.00 179.25 181.08 1nya n LEU 131 N -4.17 0.51 0.00 0.00 4.77 -0.81 -4.88 117.00 112.42 1nya n LEU 131 Ca 0.02 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1nya n LEU 131 Cb 0.36 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1nya n LEU 131 CO 0.44 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1nya n GLY 132 N 1.27 1.85 3.94 -0.72 0.00 -1.03 -4.65 105.19 105.84 1nya n GLY 132 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.21 3.43 0.98 1.61 -1.94 -0.08 -4.98 119.30 118.11 1nya s MET 133 Ca 0.00 -0.58 -0.16 0.00 -1.71 0.00 0.00 55.69 53.24 1nya s MET 133 Cb 0.00 -2.97 0.21 0.00 2.01 0.00 0.00 34.83 34.08 1nya s MET 133 CO 0.00 0.53 1.34 -1.12 -0.01 0.00 0.00 175.02 175.76 1nya s SER 134 N -3.13 2.97 0.12 3.03 0.01 -1.26 -3.95 113.70 111.47 1nya s SER 134 Ca 0.35 0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.81 1nya s SER 134 Cb -0.11 -0.18 -0.18 0.00 0.21 0.00 0.00 66.02 65.75 1nya s SER 134 CO 0.28 -2.82 1.25 0.50 0.41 0.00 0.00 173.24 172.87 1nya h LYS 135 N -1.69 0.15 0.00 12.44 1.63 -1.99 -3.14 116.57 123.97 1nya h LYS 135 Ca -0.44 -0.23 -0.11 0.00 -0.85 0.00 0.00 60.65 59.02 1nya h LYS 135 Cb 1.22 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.92 1nya h LYS 135 CO 0.35 1.07 -0.50 0.00 -3.45 0.00 0.00 179.45 176.91 1nya h ALA 136 N 0.84 0.78 -0.06 5.00 0.00 -2.01 -3.24 119.26 120.56 1nya h ALA 136 Ca -0.07 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 1nya h ALA 136 Cb 1.77 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.49 1nya h ALA 136 CO 0.16 0.63 -0.42 0.93 0.00 0.00 0.00 179.25 180.55 1nya h GLU 137 N 0.00 0.40 0.09 0.00 4.39 -1.95 -3.13 114.58 114.38 1nya h GLU 137 Ca -0.01 -0.34 0.01 0.00 0.34 0.00 0.00 59.36 59.36 1nya h GLU 137 Cb 1.21 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.93 1nya h GLU 137 CO 0.07 0.99 -0.12 0.00 -1.16 0.00 0.00 179.01 178.78 1nya h ALA 138 N 0.41 -0.22 -0.99 3.43 0.00 -1.62 0.19 119.26 120.47 1nya h ALA 138 Ca -0.03 -0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.07 1nya h ALA 138 Cb 1.08 0.19 -0.12 0.00 0.00 0.00 0.00 17.79 18.94 1nya h ALA 138 CO 0.09 -0.64 0.57 0.00 0.00 0.00 0.00 179.25 179.26 1nya h ALA 139 N 0.62 1.68 -0.16 0.00 0.00 -1.66 0.63 119.26 120.38 1nya h ALA 139 Ca 0.01 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1nya h ALA 139 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1nya h ALA 139 CO -0.06 -0.18 -0.35 1.49 0.00 0.00 0.00 179.25 180.16 1nya h GLU 140 N 0.64 0.52 -0.52 0.00 4.81 -1.33 -3.20 114.58 115.49 1nya h GLU 140 Ca 0.60 -0.34 -0.05 0.00 -0.13 0.00 0.00 59.36 59.44 1nya h GLU 140 Cb 1.05 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1nya h GLU 140 CO -0.44 0.95 0.13 0.00 -0.73 0.00 0.00 179.01 178.93 1nya h ALA 141 N 0.56 1.24 0.55 2.92 0.00 0.37 -2.55 119.26 122.36 1nya h ALA 141 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1nya h ALA 141 Cb 0.95 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1nya h ALA 141 CO 0.08 0.53 -0.51 0.35 0.00 0.00 0.00 179.25 179.70 1nya h PHE 142 N 0.77 -1.39 -0.71 0.00 3.57 -0.96 -1.69 116.94 116.53 1nya h PHE 142 Ca 0.17 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.77 1nya h PHE 142 Cb 0.28 0.54 -0.05 0.00 2.79 0.00 0.00 35.95 39.51 1nya h PHE 142 CO 0.02 -0.69 0.47 -0.91 -2.23 0.00 0.00 178.31 174.97 1nya h ASN 143 N -1.04 0.54 -0.14 0.41 2.35 -1.54 -0.84 115.58 115.32 1nya h ASN 143 Ca -0.07 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 1nya h ASN 143 Cb 0.89 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.15 1nya h ASN 143 CO -0.04 0.33 -0.10 1.56 -1.65 0.00 0.00 177.43 177.53 1nya h GLN 144 N 0.60 0.47 0.08 0.81 1.08 -1.01 -3.13 115.11 114.02 1nya h GLN 144 Ca 0.33 -0.13 -0.30 0.00 -1.45 0.00 0.00 58.65 57.10 1nya h GLN 144 Cb 0.47 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 1nya h GLN 144 CO -0.11 0.58 -1.53 0.28 -0.95 0.00 0.00 178.83 177.10 1nya h VAL 145 N 0.44 1.14 -0.14 -0.54 2.07 -0.33 -3.42 116.25 115.48 1nya h VAL 145 Ca 0.09 -2.83 -0.16 0.00 0.82 0.00 0.00 66.70 64.62 1nya h VAL 145 Cb 0.45 2.70 0.01 0.00 -1.52 0.00 0.00 31.29 32.93 1nya h VAL 145 CO 0.02 0.78 0.45 -0.67 0.02 0.00 0.00 177.57 178.18 1nya n ASP 146 N -3.37 1.63 -0.09 0.57 -0.08 -0.44 -4.70 116.55 110.08 1nya n ASP 146 Ca -0.15 -2.54 0.12 0.00 -1.51 0.00 0.00 54.79 50.71 1nya n ASP 146 Cb 1.03 -1.56 0.49 0.00 2.34 0.00 0.00 41.12 43.43 1nya n ASP 146 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1nya h THR 147 N 6.30 0.90 -0.45 5.18 2.02 -1.84 -1.34 112.91 123.68 1nya h THR 147 Ca 0.09 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1nya h THR 147 Cb 0.94 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1nya h THR 147 CO 1.21 0.08 0.00 -0.46 0.37 0.00 0.00 175.52 176.72 1nya n ASN 148 N -4.47 2.98 -2.24 4.18 0.23 -1.26 -4.93 115.26 109.75 1nya n ASN 148 Ca 0.10 -1.95 -0.03 0.00 -0.53 0.00 0.00 54.58 52.17 1nya n ASN 148 Cb 0.36 -0.29 -0.00 0.00 -2.08 0.00 0.00 39.78 37.77 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 1.40 -0.36 0.09 4.83 0.00 -0.51 -4.73 105.19 105.92 1nya n GLY 149 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1nya n GLY 149 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nya n ASN 150 N -1.19 0.52 0.00 1.61 6.94 -1.26 -4.92 115.26 116.96 1nya n ASN 150 Ca -0.04 -0.39 0.00 0.00 -0.02 0.00 0.00 54.58 54.13 1nya n ASN 150 Cb 0.45 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 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 0.72 2.96 4.83 0.00 -1.26 -5.04 105.19 108.78 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 -0.35 0.93 -0.54 1.61 2.02 -1.26 -4.60 118.70 116.51 1nya s GLU 152 Ca 0.00 -0.23 -0.17 0.00 0.02 0.00 0.00 54.97 54.59 1nya s GLU 152 Cb 0.00 -0.87 0.11 0.00 0.10 0.00 0.00 34.13 33.46 1nya s GLU 152 CO 0.00 0.04 0.53 -0.51 0.02 0.00 0.00 175.26 175.34 1nya s LEU 153 N 0.47 5.80 0.58 1.80 1.43 -0.66 -4.89 118.68 123.21 1nya s LEU 153 Ca -0.07 -1.55 -0.03 0.00 -1.03 0.00 0.00 54.13 51.45 1nya s LEU 153 Cb -0.11 -2.24 0.03 0.00 0.03 0.00 0.00 46.19 43.89 1nya s LEU 153 CO 0.01 -0.88 0.86 -0.94 0.23 0.00 0.00 176.35 175.63 1nya s SER 154 N 3.33 5.35 0.23 2.29 1.04 -1.26 -1.04 113.70 123.64 1nya s SER 154 Ca 0.06 0.37 -0.06 0.00 0.48 0.00 0.00 55.95 56.80 1nya s SER 154 Cb -0.27 -1.29 0.41 0.00 0.10 0.00 0.00 66.02 64.97 1nya s SER 154 CO 0.05 -1.16 1.69 -0.07 0.98 0.00 0.00 173.24 174.73 1nya h LEU 155 N -0.12 0.00 0.30 2.42 3.38 -1.97 0.33 115.31 119.65 1nya h LEU 155 Ca -0.44 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1nya h LEU 155 Cb 1.28 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.20 1nya h LEU 155 CO 0.58 -0.02 -0.26 -0.78 0.09 0.00 0.00 178.44 178.05 1nya h ASP 156 N 0.27 -0.68 0.45 -0.43 1.82 -2.00 -2.07 116.42 113.78 1nya h ASP 156 Ca 0.39 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 57.08 1nya h ASP 156 Cb 0.64 0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.87 1nya h ASP 156 CO -0.48 -0.38 0.00 -0.33 -1.61 0.00 0.00 179.24 176.44 1nya h GLU 157 N -0.57 0.00 0.28 0.28 5.08 -1.74 -3.03 114.58 114.88 1nya h GLU 157 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1nya h GLU 157 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1nya h GLU 157 CO -0.03 0.00 -0.14 -0.07 -1.00 0.00 0.00 179.01 177.77 1nya h LEU 158 N 0.00 -0.32 -0.35 1.33 3.38 -0.27 -3.04 115.31 116.03 1nya h LEU 158 Ca 0.00 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 57.87 1nya h LEU 158 Cb 0.23 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 1nya h LEU 158 CO 0.00 0.16 -0.14 -0.07 0.09 0.00 0.00 178.44 178.49 1nya h LEU 159 N -0.98 -0.48 -0.36 1.67 3.38 -1.35 -1.08 115.31 116.11 1nya h LEU 159 Ca -0.04 0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.13 1nya h LEU 159 Cb 0.48 0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.42 1nya h LEU 159 CO 0.06 -0.17 -0.20 0.71 0.09 0.00 0.00 178.44 178.93 1nya h THR 160 N -0.07 0.42 -0.77 0.22 1.35 -1.65 0.08 112.91 112.50 1nya h THR 160 Ca 0.18 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 66.08 1nya h THR 160 Cb 0.34 0.42 -0.05 0.00 -1.73 0.00 0.00 68.15 67.14 1nya h THR 160 CO -0.40 0.00 0.51 0.00 -0.25 0.00 0.00 175.52 175.38 1nya h ALA 161 N 1.07 1.57 -0.99 6.62 0.00 -1.27 -1.87 119.26 124.39 1nya h ALA 161 Ca 0.18 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.20 1nya h ALA 161 Cb 0.43 -0.25 -0.09 0.00 0.00 0.00 0.00 17.79 17.87 1nya h ALA 161 CO -0.45 0.34 0.62 0.28 0.00 0.00 0.00 179.25 180.05 1nya h VAL 162 N 0.92 0.85 -0.29 0.00 2.07 0.28 -3.01 116.25 117.08 1nya h VAL 162 Ca 0.31 -0.31 -0.70 0.00 0.82 0.00 0.00 66.70 66.83 1nya h VAL 162 Cb 0.10 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.73 1nya h VAL 162 CO -0.10 0.16 3.36 0.54 0.02 0.00 0.00 177.57 181.56 1nya n ARG 163 N -4.65 3.69 -2.79 1.57 1.74 -0.70 -4.40 116.66 111.12 1nya n ARG 163 Ca 0.20 -2.58 -0.10 0.00 -0.77 0.00 0.00 57.85 54.60 1nya n ARG 163 Cb 0.43 -2.88 0.04 0.00 -1.02 0.00 0.00 32.46 29.04 1nya n ARG 163 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1nya n ASP 164 N 3.78 0.14 -3.32 0.55 8.00 -1.14 -5.04 116.55 119.52 1nya n ASP 164 Ca 0.68 -2.83 -0.02 0.00 0.71 0.00 0.00 54.79 53.34 1nya n ASP 164 Cb 0.27 0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.40 1nya n ASP 164 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1nya s PHE 165 N -1.86 -1.28 0.01 1.24 -0.71 -1.26 -3.85 117.98 110.28 1nya s PHE 165 Ca 0.28 1.54 0.00 0.00 -1.04 0.00 0.00 56.93 57.71 1nya s PHE 165 Cb 0.40 0.42 0.00 0.00 -1.21 0.00 0.00 43.02 42.64 1nya s PHE 165 CO -0.03 -0.77 0.00 1.58 -1.34 0.00 0.00 175.22 174.67 1nya n HIS 166 N 5.41 -1.68 -0.02 3.49 -0.00 -1.26 -4.96 115.22 116.20 1nya n HIS 166 Ca -0.04 0.04 0.06 0.00 0.46 0.00 0.00 57.72 58.24 1nya n HIS 166 Cb 0.50 0.42 -0.13 0.00 -0.12 0.00 0.00 29.99 30.66 1nya n HIS 166 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 1nya n PHE 167 N -2.48 0.00 0.00 1.57 1.16 -1.26 -3.71 117.46 112.74 1nya n PHE 167 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1nya n PHE 167 Cb 0.00 -0.46 0.00 0.00 -1.61 0.00 0.00 39.48 37.41 1nya n PHE 167 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1nya n GLY 168 N 1.61 -2.05 3.65 4.97 0.00 -1.26 -4.86 105.19 107.25 1nya n GLY 168 Ca -0.07 1.03 -0.43 0.00 0.00 0.00 0.00 46.02 46.55 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 0.00 1.74 -1.72 1.61 0.00 -1.26 -4.89 116.66 112.14 1nya n ARG 169 Ca 0.00 0.61 -0.37 0.00 -0.00 0.00 0.00 57.85 58.09 1nya n ARG 169 Cb 0.00 -2.11 0.05 0.00 -0.00 0.00 0.00 32.46 30.40 1nya n ARG 169 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1nya n LEU 170 N 0.90 7.43 -0.80 2.89 -0.00 -1.26 -4.79 117.00 121.38 1nya n LEU 170 Ca 0.07 -4.64 -0.08 0.00 -0.00 0.00 0.00 56.01 51.36 1nya n LEU 170 Cb 0.35 -0.99 -0.02 0.00 -0.00 0.00 0.00 43.42 42.76 1nya n LEU 170 CO 0.61 1.68 -0.09 -0.67 -0.00 0.00 0.00 177.39 178.91 1nya n ASP 171 N -0.69 -3.42 0.00 1.45 2.03 -1.26 -4.95 116.55 109.71 1nya n ASP 171 Ca 0.57 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.96 1nya n ASP 171 Cb 0.43 -2.24 0.00 0.00 -0.72 0.00 0.00 41.12 38.59 1nya n ASP 171 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1nya n VAL 172 N -3.44 0.00 -4.39 5.18 0.31 -1.26 -4.64 118.33 110.08 1nya n VAL 172 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1nya n VAL 172 Cb 0.44 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 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 -1.28 0.00 0.03 5.55 1.02 -1.25 -4.87 120.64 119.84 1nya n GLU 173 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1nya n GLU 173 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 0.00 -0.08 0.00 -4.62 7.94 -1.26 -4.36 117.00 114.62 1nya n LEU 174 Ca 0.00 0.11 -0.18 0.00 -1.11 0.00 0.00 56.01 54.83 1nya n LEU 174 Cb 0.00 0.15 0.07 0.00 0.53 0.00 0.00 43.42 44.17 1nya n LEU 174 CO 0.00 -0.55 0.38 0.18 -1.11 0.00 0.00 177.39 176.29 1nya n LEU 175 N -2.70 0.00 0.00 -1.96 4.77 -1.26 -5.09 117.00 110.76 1nya n LEU 175 Ca 0.00 -2.07 0.00 0.00 -0.03 0.00 0.00 56.01 53.91 1nya n LEU 175 Cb 0.00 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1nya n LEU 175 CO 0.00 -0.77 0.15 0.61 -1.33 0.00 0.00 177.39 176.06