#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bld s ALA 2 N 0.00 -1.94 -0.59 -5.12 0.00 -1.26 -5.10 121.76 107.76 1bld s ALA 2 Ca 0.00 1.63 -0.28 0.00 0.00 0.00 0.00 51.96 53.31 1bld s ALA 2 Cb 0.00 -0.83 0.02 0.00 0.00 0.00 0.00 23.12 22.32 1bld s ALA 2 CO 0.00 -0.30 1.33 -1.21 0.00 0.00 0.00 175.76 175.58 1bld s GLU 3 N -0.86 3.36 -0.19 0.00 2.02 -1.26 -4.83 118.70 116.93 1bld s GLU 3 Ca -0.01 0.32 -0.12 0.00 0.02 0.00 0.00 54.97 55.18 1bld s GLU 3 Cb -0.01 -4.09 -0.20 0.00 0.10 0.00 0.00 34.13 29.92 1bld s GLU 3 CO 0.00 -1.88 0.12 0.41 0.02 0.00 0.00 175.26 173.94 1bld n GLY 4 N 5.21 -0.61 0.91 -1.39 0.00 -1.25 -4.93 105.19 103.12 1bld n GLY 4 Ca 0.10 -0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 1bld n GLY 4 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1bld n GLU 5 N -3.90 -1.44 -2.79 1.61 -0.00 -1.24 -4.84 120.64 108.05 1bld n GLU 5 Ca -0.37 -0.31 -0.42 0.00 -0.00 0.00 0.00 57.16 56.05 1bld n GLU 5 Cb 0.89 -0.49 -0.03 0.00 -0.00 0.00 0.00 31.44 31.81 1bld n GLU 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1bld s ILE 6 N -1.11 4.74 -0.73 3.84 1.01 -1.26 -4.92 121.20 122.76 1bld s ILE 6 Ca 0.14 1.72 -0.29 0.00 0.00 0.00 0.00 60.65 62.22 1bld s ILE 6 Cb -0.03 -4.22 -0.15 0.00 0.01 0.00 0.00 42.46 38.08 1bld s ILE 6 CO 0.12 -0.17 2.54 0.35 0.00 0.00 0.00 174.94 177.78 1bld n THR 7 N 5.37 -0.03 -3.08 2.92 -2.24 -1.26 -4.74 114.28 111.22 1bld n THR 7 Ca 0.08 -0.37 -0.17 0.00 -2.27 0.00 0.00 64.05 61.33 1bld n THR 7 Cb 0.47 -1.59 -0.01 0.00 -2.10 0.00 0.00 70.33 67.10 1bld n THR 7 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1bld n THR 8 N 7.70 -0.19 -0.06 4.28 -1.04 -1.26 -4.98 114.28 118.73 1bld n THR 8 Ca 0.52 -3.78 -0.08 0.00 -2.04 0.00 0.00 64.05 58.68 1bld n THR 8 Cb 0.27 -0.04 -0.01 0.00 -1.82 0.00 0.00 70.33 68.73 1bld n THR 8 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1bld h LEU 9 N 3.16 -0.11 0.00 -4.42 3.38 -2.04 -3.42 115.31 111.86 1bld h LEU 9 Ca 0.05 0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1bld h LEU 9 Cb 0.99 0.10 0.06 0.00 0.09 0.00 0.00 40.66 41.90 1bld h LEU 9 CO 0.41 -0.02 -0.01 -0.81 0.09 0.00 0.00 178.44 178.11 1bld n PRO 10 N -5.15 -2.24 -3.21 1.13 -0.05 -1.26 -5.08 135.00 119.14 1bld n PRO 10 Ca -0.01 -0.49 0.04 0.00 -0.05 0.00 0.00 63.50 62.99 1bld n PRO 10 Cb 0.13 -0.54 -0.02 0.00 -0.05 0.00 0.00 33.50 33.02 1bld n PRO 10 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1bld s ALA 11 N -2.55 -3.27 -0.44 0.55 0.00 -1.26 -5.06 121.76 109.73 1bld s ALA 11 Ca 0.21 1.61 0.04 0.00 0.00 0.00 0.00 51.96 53.82 1bld s ALA 11 Cb -0.03 -2.38 0.27 0.00 0.00 0.00 0.00 23.12 20.98 1bld s ALA 11 CO 0.17 -1.29 1.04 -0.11 0.00 0.00 0.00 175.76 175.57 1bld n LEU 12 N 5.25 -2.34 -4.73 0.00 7.94 -1.26 -5.13 117.00 116.74 1bld n LEU 12 Ca -0.07 -2.92 -0.34 0.00 -1.11 0.00 0.00 56.01 51.57 1bld n LEU 12 Cb 0.54 0.80 0.09 0.00 0.53 0.00 0.00 43.42 45.38 1bld n LEU 12 CO -0.08 1.89 0.78 -2.16 -1.11 0.00 0.00 177.39 176.70 1bld s PRO 13 N 0.45 2.15 -0.31 1.96 0.05 -1.26 -4.17 135.00 133.87 1bld s PRO 13 Ca 0.28 1.68 -0.17 0.00 0.05 0.00 0.00 61.00 62.84 1bld s PRO 13 Cb 0.24 -1.84 0.02 0.00 0.05 0.00 0.00 34.50 32.97 1bld s PRO 13 CO -0.18 -1.81 0.37 -1.91 0.05 0.00 0.00 177.00 173.52 1bld n GLU 14 N -2.82 -1.94 0.25 4.56 4.07 -1.26 -4.79 120.64 118.71 1bld n GLU 14 Ca 0.13 1.70 0.10 0.00 -0.06 0.00 0.00 57.16 59.03 1bld n GLU 14 Cb 0.51 -3.31 0.68 0.00 -0.06 0.00 0.00 31.44 29.26 1bld n GLU 14 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1bld h ASP 15 N 2.61 0.00 -0.48 4.31 3.58 -2.05 -3.36 116.42 121.03 1bld h ASP 15 Ca -0.19 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 56.97 1bld h ASP 15 Cb 0.95 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.96 1bld h ASP 15 CO 0.14 0.12 0.89 -0.83 -2.88 0.00 0.00 179.24 176.69 1bld s GLY 16 N -4.18 0.03 -0.39 -0.78 0.00 -1.26 -4.88 107.32 95.86 1bld s GLY 16 Ca -0.04 -1.94 -0.30 0.00 0.00 0.00 0.00 44.72 42.45 1bld s GLY 16 CO 0.62 3.63 2.30 0.61 0.00 0.00 0.00 173.10 180.26 1bld n GLY 17 N 6.06 0.53 2.69 0.20 0.00 -1.26 -4.73 105.19 108.68 1bld n GLY 17 Ca 0.44 0.82 -0.06 0.00 0.00 0.00 0.00 46.02 47.22 1bld n GLY 17 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bld n SER 18 N 12.24 -1.84 0.00 1.61 3.41 -1.26 -4.98 113.62 122.79 1bld n SER 18 Ca 0.38 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 1bld n SER 18 Cb 0.38 1.15 0.00 0.00 -0.26 0.00 0.00 64.21 65.48 1bld n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bld n GLY 19 N 1.44 3.23 4.03 5.00 0.00 -1.26 -4.91 105.19 112.72 1bld n GLY 19 Ca 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1bld n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bld n ALA 20 N 0.00 0.00 -2.80 4.61 0.00 -1.26 -4.67 120.51 116.39 1bld n ALA 20 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1bld n ALA 20 Cb 0.00 -0.14 0.05 0.00 0.00 0.00 0.00 19.45 19.36 1bld n ALA 20 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1bld n PHE 21 N -1.87 -2.82 -1.84 0.00 7.35 -1.26 -5.00 117.46 112.03 1bld n PHE 21 Ca 0.00 -2.10 -0.43 0.00 -0.76 0.00 0.00 57.45 54.16 1bld n PHE 21 Cb 0.00 1.34 -0.03 0.00 0.35 0.00 0.00 39.48 41.15 1bld n PHE 21 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1bld s PRO 22 N 0.28 3.63 1.32 -7.13 0.05 -1.26 -4.98 135.00 126.92 1bld s PRO 22 Ca 0.30 2.00 -0.20 0.00 0.05 0.00 0.00 61.00 63.14 1bld s PRO 22 Cb 0.25 -4.19 0.33 0.00 0.05 0.00 0.00 34.50 30.94 1bld s PRO 22 CO -0.17 -1.51 0.99 -1.25 0.05 0.00 0.00 177.00 175.10 1bld s PRO 23 N 5.23 -2.15 -1.41 0.56 0.05 -1.26 -3.81 135.00 132.20 1bld s PRO 23 Ca 0.85 0.21 -0.01 0.00 0.05 0.00 0.00 61.00 62.10 1bld s PRO 23 Cb -0.32 -1.46 0.00 0.00 0.05 0.00 0.00 34.50 32.77 1bld s PRO 23 CO 0.34 -4.38 0.38 0.41 0.05 0.00 0.00 177.00 173.80 1bld n GLY 24 N 0.69 -0.25 0.00 0.56 0.00 -1.26 -4.82 105.19 100.12 1bld n GLY 24 Ca 0.11 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1bld n GLY 24 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bld n HIS 25 N -4.43 0.00 0.28 1.61 -0.00 -1.25 -4.76 115.22 106.67 1bld n HIS 25 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.42 1bld n HIS 25 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.67 1bld n HIS 25 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1bld n PHE 26 N -0.44 0.00 0.60 1.57 3.01 -1.26 -4.24 117.46 116.70 1bld n PHE 26 Ca 0.00 -0.66 0.05 0.00 1.01 0.00 0.00 57.45 57.84 1bld n PHE 26 Cb 0.01 -0.35 0.28 0.00 -0.01 0.00 0.00 39.48 39.41 1bld n PHE 26 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1bld n LYS 27 N 1.00 0.30 -3.76 -1.08 4.81 -1.26 -4.64 118.16 113.53 1bld n LYS 27 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 1bld n LYS 27 Cb 0.46 -1.48 -0.08 0.00 0.02 0.00 0.00 35.03 33.94 1bld n LYS 27 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1bld s ASP 28 N -1.99 -0.15 1.33 3.14 1.01 -1.26 -5.16 116.67 113.59 1bld s ASP 28 Ca 0.14 -0.05 -0.20 0.00 0.71 0.00 0.00 52.55 53.15 1bld s ASP 28 Cb 0.06 0.33 0.32 0.00 1.01 0.00 0.00 42.92 44.64 1bld s ASP 28 CO 0.11 -0.52 0.75 -0.81 0.21 0.00 0.00 175.17 174.90 1bld n PRO 29 N 0.96 -3.88 -3.78 8.23 -0.04 -1.26 -4.79 135.00 130.44 1bld n PRO 29 Ca -0.20 -1.14 -0.13 0.00 -0.04 0.00 0.00 63.50 61.99 1bld n PRO 29 Cb 0.57 -1.86 -0.12 0.00 -0.04 0.00 0.00 33.50 32.06 1bld n PRO 29 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1bld s LYS 30 N -4.56 0.25 -0.25 0.54 1.02 -0.93 -3.34 119.74 112.47 1bld s LYS 30 Ca 0.61 0.34 -0.18 0.00 0.02 0.00 0.00 55.97 56.76 1bld s LYS 30 Cb -0.13 0.09 -0.03 0.00 -0.52 0.00 0.00 37.83 37.24 1bld s LYS 30 CO 0.54 -0.05 0.50 1.03 -0.92 0.00 0.00 175.35 176.44 1bld s ARG 31 N 0.30 4.09 -0.65 1.68 0.52 -1.18 -3.67 118.95 120.05 1bld s ARG 31 Ca -0.01 0.30 -0.25 0.00 -0.52 0.00 0.00 55.73 55.25 1bld s ARG 31 Cb -0.03 -3.63 0.05 0.00 0.52 0.00 0.00 34.95 31.86 1bld s ARG 31 CO -0.01 -0.29 1.06 -0.51 0.02 0.00 0.00 175.30 175.57 1bld s LEU 32 N 2.12 3.91 -0.28 2.53 1.43 -1.26 -2.67 118.68 124.46 1bld s LEU 32 Ca 0.21 -0.59 -0.17 0.00 -1.03 0.00 0.00 54.13 52.55 1bld s LEU 32 Cb -0.16 -2.62 -0.02 0.00 0.03 0.00 0.00 46.19 43.42 1bld s LEU 32 CO 0.09 -1.50 0.48 -0.47 0.23 0.00 0.00 176.35 175.18 1bld s TYR 33 N 4.55 3.24 -0.65 0.29 5.04 -1.25 -2.58 117.35 126.00 1bld s TYR 33 Ca 0.29 0.48 -0.24 0.00 -2.44 0.00 0.00 57.07 55.17 1bld s TYR 33 Cb -0.13 -2.72 0.06 0.00 0.35 0.00 0.00 41.96 39.52 1bld s TYR 33 CO 0.15 -0.32 1.02 0.00 -1.34 0.00 0.00 175.55 175.06 1bld h LYS 35 N 9.60 0.35 -6.31 0.00 3.64 -1.85 -1.21 116.57 120.78 1bld h LYS 35 Ca -0.28 -0.02 -0.54 0.00 -1.27 0.00 0.00 60.65 58.54 1bld h LYS 35 Cb 1.07 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.76 1bld h LYS 35 CO 1.18 0.23 1.17 -0.80 -2.27 0.00 0.00 179.45 178.97 1bld s ASN 36 N -5.62 5.94 0.00 4.20 0.01 -1.26 -2.64 114.94 115.57 1bld s ASN 36 Ca -0.08 0.49 0.00 0.00 -0.71 0.00 0.00 52.86 52.56 1bld s ASN 36 Cb 0.23 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.35 1bld s ASN 36 CO 0.78 -1.82 0.00 0.61 -1.51 0.00 0.00 177.10 175.17 1bld n GLY 37 N 5.36 0.78 3.18 0.66 0.00 -1.26 -4.40 105.19 109.51 1bld n GLY 37 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 1bld n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bld n GLY 38 N -2.43 -0.78 2.92 -0.02 0.00 -0.51 -5.00 105.19 99.37 1bld n GLY 38 Ca 0.00 0.61 -0.13 0.00 0.00 0.00 0.00 46.02 46.50 1bld n GLY 38 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bld s PHE 39 N -1.45 -0.11 -0.23 1.61 0.08 -0.87 -4.76 117.98 112.24 1bld s PHE 39 Ca 0.16 0.35 -0.15 0.00 0.12 0.00 0.00 56.93 57.41 1bld s PHE 39 Cb -0.02 -0.06 -0.04 0.00 -0.57 0.00 0.00 43.02 42.33 1bld s PHE 39 CO 0.51 -0.11 0.36 -0.06 -0.10 0.00 0.00 175.22 175.82 1bld s PHE 40 N 0.74 3.33 0.50 0.36 0.40 -0.99 -0.19 117.98 122.13 1bld s PHE 40 Ca -0.06 0.51 -0.22 0.00 -0.60 0.00 0.00 56.93 56.57 1bld s PHE 40 Cb -0.08 -2.51 -0.08 0.00 0.51 0.00 0.00 43.02 40.86 1bld s PHE 40 CO -0.03 -0.07 1.02 -0.11 0.70 0.00 0.00 175.22 176.73 1bld n LEU 41 N 4.71 3.24 -3.60 -0.37 7.94 -1.06 -2.47 117.00 125.38 1bld n LEU 41 Ca -0.09 0.94 -0.11 0.00 -1.11 0.00 0.00 56.01 55.64 1bld n LEU 41 Cb 0.51 -1.39 -0.11 0.00 0.53 0.00 0.00 43.42 42.96 1bld n LEU 41 CO 0.39 -1.55 -0.07 -0.60 -1.11 0.00 0.00 177.39 174.44 1bld s ARG 42 N -2.36 0.24 -0.12 1.96 3.52 -0.86 -4.58 118.95 116.76 1bld s ARG 42 Ca 0.68 0.77 -0.17 0.00 -0.13 0.00 0.00 55.73 56.88 1bld s ARG 42 Cb -0.49 -0.08 -0.04 0.00 -1.56 0.00 0.00 34.95 32.78 1bld s ARG 42 CO 0.53 -0.36 0.43 0.42 -0.81 0.00 0.00 175.30 175.51 1bld s ILE 43 N 2.50 5.20 0.24 4.11 1.01 -1.25 -2.18 121.20 130.82 1bld s ILE 43 Ca 0.03 0.86 -0.08 0.00 0.00 0.00 0.00 60.65 61.46 1bld s ILE 43 Cb -0.13 -3.77 -0.06 0.00 0.01 0.00 0.00 42.46 38.51 1bld s ILE 43 CO -0.11 0.36 0.53 -1.00 0.00 0.00 0.00 174.94 174.72 1bld s HIS 44 N 0.43 3.45 0.56 3.97 3.76 -0.31 -4.83 115.29 122.33 1bld s HIS 44 Ca 0.24 0.77 0.24 0.00 -0.15 0.00 0.00 55.06 56.17 1bld s HIS 44 Cb -0.15 -2.19 1.55 0.00 1.11 0.00 0.00 32.58 32.90 1bld s HIS 44 CO 0.09 0.25 2.15 -1.00 -0.85 0.00 0.00 174.74 175.38 1bld h PRO 45 N 2.31 0.00 -0.19 8.40 0.13 -1.92 -0.13 132.00 140.60 1bld h PRO 45 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1bld h PRO 45 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1bld h PRO 45 CO 0.69 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.06 1bld n ASP 46 N -4.12 0.19 0.00 1.44 5.68 -1.26 -4.81 116.55 113.67 1bld n ASP 46 Ca -0.00 -1.48 0.00 0.00 -0.50 0.00 0.00 54.79 52.80 1bld n ASP 46 Cb 0.21 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 1bld n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bld n GLY 47 N 0.21 1.56 3.36 6.12 0.00 -0.06 -4.92 105.19 111.46 1bld n GLY 47 Ca 0.00 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 1bld n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bld n ARG 48 N 0.00 0.19 -4.01 1.61 5.12 -1.26 -2.05 116.66 116.26 1bld n ARG 48 Ca 0.00 0.09 -0.13 0.00 -1.93 0.00 0.00 57.85 55.88 1bld n ARG 48 Cb 0.00 -1.54 -0.14 0.00 -1.16 0.00 0.00 32.46 29.62 1bld n ARG 48 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1bld s VAL 49 N -1.95 0.22 0.00 1.55 1.01 -1.26 -1.16 120.40 118.81 1bld s VAL 49 Ca 0.60 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1bld s VAL 49 Cb -0.36 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 35.80 1bld s VAL 49 CO 0.63 -0.04 0.00 -0.90 0.00 0.00 0.00 175.10 174.79 1bld n ASP 50 N 2.73 0.00 -3.83 3.32 5.75 -0.93 -4.51 116.55 119.09 1bld n ASP 50 Ca -0.15 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.52 1bld n ASP 50 Cb 0.58 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.57 1bld n ASP 50 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1bld s GLY 51 N 0.00 -0.04 -0.00 6.12 0.00 0.13 -2.02 107.32 111.51 1bld s GLY 51 Ca 0.00 0.12 -0.09 0.00 0.00 0.00 0.00 44.72 44.76 1bld s GLY 51 CO 0.00 -0.02 0.17 -1.34 0.00 0.00 0.00 173.10 171.90 1bld s VAL 52 N -1.09 0.08 -0.55 1.40 -7.23 -1.03 -4.59 120.40 107.37 1bld s VAL 52 Ca -0.12 -0.63 0.24 0.00 -1.81 0.00 0.00 61.98 59.66 1bld s VAL 52 Cb -0.06 -0.46 -0.01 0.00 0.56 0.00 0.00 36.38 36.42 1bld s VAL 52 CO 0.02 -0.35 1.19 0.54 -0.31 0.00 0.00 175.10 176.19 1bld n ARG 53 N 1.48 0.35 -1.52 4.82 1.74 -1.26 -2.33 116.66 119.93 1bld n ARG 53 Ca -0.22 0.07 -0.41 0.00 -0.77 0.00 0.00 57.85 56.52 1bld n ARG 53 Cb 0.56 -1.69 -0.06 0.00 -1.02 0.00 0.00 32.46 30.25 1bld n ARG 53 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1bld n GLU 54 N -2.18 0.95 -0.83 5.56 1.02 -1.26 -4.76 120.64 119.14 1bld n GLU 54 Ca 0.02 0.11 -0.09 0.00 -0.02 0.00 0.00 57.16 57.18 1bld n GLU 54 Cb 0.46 -2.85 -0.06 0.00 -0.02 0.00 0.00 31.44 28.97 1bld n GLU 54 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1bld n LYS 55 N 8.72 1.60 -0.54 3.49 2.85 -1.26 -3.47 118.16 129.55 1bld n LYS 55 Ca 0.43 -0.80 0.00 0.00 -1.05 0.00 0.00 58.31 56.89 1bld n LYS 55 Cb 0.37 -1.54 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 1bld n LYS 55 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1bld n SER 56 N 1.61 0.02 -4.29 -5.58 2.88 -1.26 -3.65 113.62 103.36 1bld n SER 56 Ca 0.24 -1.80 -0.41 0.00 -1.33 0.00 0.00 58.87 55.57 1bld n SER 56 Cb 0.66 -0.16 -0.10 0.00 -0.75 0.00 0.00 64.21 63.86 1bld n SER 56 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1bld s ASP 57 N -0.83 5.71 0.00 -3.46 1.01 -1.23 -4.92 116.67 112.94 1bld s ASP 57 Ca 0.01 -1.47 0.02 0.00 0.71 0.00 0.00 52.55 51.82 1bld s ASP 57 Cb 0.01 -2.01 0.12 0.00 1.01 0.00 0.00 42.92 42.05 1bld s ASP 57 CO -0.01 -0.55 0.50 -2.65 0.21 0.00 0.00 175.17 172.68 1bld n PRO 58 N 4.96 0.09 0.00 8.23 -0.02 -1.26 -1.51 135.00 145.48 1bld n PRO 58 Ca -0.10 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.52 1bld n PRO 58 Cb 0.43 -1.37 0.66 0.00 -0.02 0.00 0.00 33.50 33.20 1bld n PRO 58 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1bld n HIS 59 N -0.87 0.00 1.24 6.00 8.25 -1.26 -3.08 115.22 125.49 1bld n HIS 59 Ca 0.02 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.60 1bld n HIS 59 Cb 0.01 -0.25 0.37 0.00 1.12 0.00 0.00 29.99 31.24 1bld n HIS 59 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1bld n ILE 60 N -1.16 0.00 -2.40 1.59 -5.35 -0.57 -3.96 119.36 107.51 1bld n ILE 60 Ca 0.13 -0.12 -0.37 0.00 -0.27 0.00 0.00 62.75 62.12 1bld n ILE 60 Cb 0.27 0.39 -0.03 0.00 -1.74 0.00 0.00 39.64 38.53 1bld n ILE 60 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1bld s LYS 61 N -2.52 3.34 -0.04 6.28 1.02 -1.18 -4.60 119.74 122.05 1bld s LYS 61 Ca 0.24 -1.16 -0.18 0.00 0.02 0.00 0.00 55.97 54.89 1bld s LYS 61 Cb 0.19 -5.33 -0.05 0.00 -0.52 0.00 0.00 37.83 32.12 1bld s LYS 61 CO 0.53 -2.68 0.50 -0.51 -0.92 0.00 0.00 175.35 172.27 1bld s LEU 62 N 6.59 4.39 -0.36 3.17 1.43 -1.24 -3.37 118.68 129.29 1bld s LEU 62 Ca 0.56 0.99 -0.19 0.00 -1.03 0.00 0.00 54.13 54.46 1bld s LEU 62 Cb -0.01 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.47 1bld s LEU 62 CO -0.01 0.14 0.56 -1.58 0.23 0.00 0.00 176.35 175.69 1bld s GLN 63 N -0.21 3.57 -0.38 1.70 0.74 0.11 -2.19 119.66 123.00 1bld s GLN 63 Ca 0.27 -0.15 -0.19 0.00 0.05 0.00 0.00 55.36 55.34 1bld s GLN 63 Cb -0.17 -3.83 0.01 0.00 1.10 0.00 0.00 33.01 30.12 1bld s GLN 63 CO 0.14 -0.72 0.55 -0.51 -0.55 0.00 0.00 175.29 174.20 1bld s LEU 64 N 2.51 4.43 0.03 3.68 1.02 -1.26 -1.37 118.68 127.72 1bld s LEU 64 Ca 0.20 -0.15 -0.10 0.00 0.02 0.00 0.00 54.13 54.09 1bld s LEU 64 Cb -0.15 -2.62 -0.05 0.00 0.02 0.00 0.00 46.19 43.38 1bld s LEU 64 CO 0.14 -0.58 0.36 -1.10 0.02 0.00 0.00 176.35 175.19 1bld s GLN 65 N 2.51 3.75 -0.25 1.70 -0.21 0.61 -4.78 119.66 122.98 1bld s GLN 65 Ca 0.20 0.18 -0.16 0.00 0.02 0.00 0.00 55.36 55.59 1bld s GLN 65 Cb -0.15 -3.09 -0.03 0.00 1.00 0.00 0.00 33.01 30.73 1bld s GLN 65 CO 0.15 0.63 0.44 0.00 -2.12 0.00 0.00 175.29 174.40 1bld s ALA 66 N -1.26 3.57 -0.20 6.09 0.00 -1.26 0.47 121.76 129.18 1bld s ALA 66 Ca 0.28 -0.67 -0.06 0.00 0.00 0.00 0.00 51.96 51.51 1bld s ALA 66 Cb -0.14 -2.78 -0.20 0.00 0.00 0.00 0.00 23.12 19.99 1bld s ALA 66 CO 0.15 -0.63 0.04 -1.91 0.00 0.00 0.00 175.76 173.41 1bld n GLU 67 N 5.27 0.68 -3.70 0.00 2.13 -0.98 -4.92 120.64 119.12 1bld n GLU 67 Ca -0.06 0.26 -0.10 0.00 0.66 0.00 0.00 57.16 57.91 1bld n GLU 67 Cb 0.50 -1.62 -0.06 0.00 0.27 0.00 0.00 31.44 30.54 1bld n GLU 67 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1bld s GLU 68 N -2.52 0.97 -1.07 5.31 2.02 -1.18 -5.00 118.70 117.24 1bld s GLU 68 Ca -0.30 -0.70 -0.27 0.00 0.02 0.00 0.00 54.97 53.73 1bld s GLU 68 Cb 0.08 0.42 -0.22 0.00 0.10 0.00 0.00 34.13 34.52 1bld s GLU 68 CO 0.65 -0.36 2.13 1.03 0.02 0.00 0.00 175.26 178.74 1bld s ARG 69 N -3.51 1.21 0.00 1.61 0.52 -1.26 -0.62 118.95 116.90 1bld s ARG 69 Ca 0.01 -0.40 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 1bld s ARG 69 Cb 0.02 -4.98 0.00 0.00 0.52 0.00 0.00 34.95 30.51 1bld s ARG 69 CO -0.10 -5.44 0.00 0.41 0.02 0.00 0.00 175.30 170.19 1bld n GLY 70 N 6.17 -0.52 2.91 -3.53 0.00 -1.26 -5.14 105.19 103.83 1bld n GLY 70 Ca 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 1bld n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bld s VAL 71 N 0.00 0.03 -0.02 1.61 1.01 0.21 -4.33 120.40 118.89 1bld s VAL 71 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1bld s VAL 71 Cb 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 36.38 36.32 1bld s VAL 71 CO 0.00 -0.12 0.01 0.68 0.00 0.00 0.00 175.10 175.67 1bld s VAL 72 N -0.35 0.06 -0.10 2.92 -7.23 -1.25 -2.31 120.40 112.15 1bld s VAL 72 Ca -0.04 0.14 -0.18 0.00 -1.81 0.00 0.00 61.98 60.09 1bld s VAL 72 Cb -0.02 -0.17 -0.04 0.00 0.56 0.00 0.00 36.38 36.70 1bld s VAL 72 CO -0.00 0.11 0.49 -0.44 -0.31 0.00 0.00 175.10 174.95 1bld s SER 73 N 0.96 6.73 0.11 4.85 0.01 0.18 -3.80 113.70 122.73 1bld s SER 73 Ca -0.09 0.87 -0.17 0.00 1.31 0.00 0.00 55.95 57.87 1bld s SER 73 Cb -0.12 -2.29 -0.07 0.00 0.21 0.00 0.00 66.02 63.74 1bld s SER 73 CO -0.02 0.03 0.55 -0.63 0.41 0.00 0.00 173.24 173.58 1bld s ILE 74 N 0.44 4.81 -0.13 1.44 1.01 -1.26 -0.29 121.20 127.23 1bld s ILE 74 Ca 0.27 1.01 -0.05 0.00 0.00 0.00 0.00 60.65 61.87 1bld s ILE 74 Cb -0.16 -3.80 0.06 0.00 0.01 0.00 0.00 42.46 38.57 1bld s ILE 74 CO 0.11 0.40 0.26 -0.75 0.00 0.00 0.00 174.94 174.96 1bld s LYS 75 N -1.54 0.16 0.28 2.79 2.20 -0.47 -3.41 119.74 119.75 1bld s LYS 75 Ca 0.33 0.72 -0.29 0.00 -0.36 0.00 0.00 55.97 56.37 1bld s LYS 75 Cb -0.17 -0.04 -0.10 0.00 -1.51 0.00 0.00 37.83 36.01 1bld s LYS 75 CO 0.19 -0.26 1.13 0.20 -0.36 0.00 0.00 175.35 176.25 1bld s GLY 76 N 2.22 3.03 0.00 5.54 0.00 0.04 0.05 107.32 118.20 1bld s GLY 76 Ca -0.01 0.95 0.00 0.00 0.00 0.00 0.00 44.72 45.66 1bld s GLY 76 CO -0.09 1.58 0.03 -0.62 0.00 0.00 0.00 173.10 174.01 1bld n VAL 77 N 1.26 0.00 -0.36 1.40 0.31 -1.22 0.37 118.33 120.09 1bld n VAL 77 Ca -0.01 0.16 0.32 0.00 -0.01 0.00 0.00 64.34 64.80 1bld n VAL 77 Cb 0.44 -0.40 0.65 0.00 -0.91 0.00 0.00 33.84 33.62 1bld n VAL 77 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1bld h SER 78 N 0.00 0.21 0.95 4.52 0.87 -1.85 1.05 113.55 119.30 1bld h SER 78 Ca 0.00 0.05 -0.19 0.00 -1.23 0.00 0.00 61.79 60.43 1bld h SER 78 Cb 0.00 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 1bld h SER 78 CO 0.00 0.01 -0.89 0.00 -0.53 0.00 0.00 176.83 175.42 1bld h ALA 79 N 1.50 0.50 -6.25 6.23 0.00 -1.88 -3.48 119.26 115.87 1bld h ALA 79 Ca 0.63 -0.81 -0.44 0.00 0.00 0.00 0.00 54.91 54.29 1bld h ALA 79 Cb 2.09 -0.14 0.04 0.00 0.00 0.00 0.00 17.79 19.78 1bld h ALA 79 CO -0.18 1.11 -0.89 0.09 0.00 0.00 0.00 179.25 179.38 1bld n ASN 80 N -3.43 -2.58 -3.82 0.00 5.03 0.36 -4.93 115.26 105.90 1bld n ASN 80 Ca -0.00 -0.95 -0.12 0.00 0.87 0.00 0.00 54.58 54.38 1bld n ASN 80 Cb 0.86 -3.52 -0.10 0.00 -1.02 0.00 0.00 39.78 36.01 1bld n ASN 80 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1bld s ARG 81 N -6.11 0.53 -0.08 3.52 0.52 -1.19 -4.50 118.95 111.64 1bld s ARG 81 Ca 0.19 -0.23 -0.18 0.00 -0.52 0.00 0.00 55.73 54.99 1bld s ARG 81 Cb -0.06 0.23 -0.05 0.00 0.52 0.00 0.00 34.95 35.59 1bld s ARG 81 CO 0.85 -0.13 0.49 0.71 0.02 0.00 0.00 175.30 177.24 1bld s TYR 82 N -1.19 3.57 0.42 -0.53 1.51 0.72 -0.78 117.35 121.06 1bld s TYR 82 Ca -0.13 0.96 -0.26 0.00 -1.01 0.00 0.00 57.07 56.63 1bld s TYR 82 Cb -0.06 -2.53 -0.09 0.00 -0.11 0.00 0.00 41.96 39.17 1bld s TYR 82 CO 0.02 0.26 1.34 -1.17 -1.11 0.00 0.00 175.55 174.89 1bld s LEU 83 N 0.28 4.19 -0.03 -1.29 2.96 -1.22 -2.30 118.68 121.27 1bld s LEU 83 Ca 0.27 2.73 -0.15 0.00 -0.22 0.00 0.00 54.13 56.75 1bld s LEU 83 Cb -0.16 -3.90 0.03 0.00 0.50 0.00 0.00 46.19 42.65 1bld s LEU 83 CO 0.12 -0.93 0.33 0.00 -1.32 0.00 0.00 176.35 174.55 1bld s ALA 84 N -1.24 -0.84 -0.02 5.97 0.00 0.25 -4.35 121.76 121.53 1bld s ALA 84 Ca 0.58 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1bld s ALA 84 Cb -0.40 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 1bld s ALA 84 CO 0.51 -0.25 0.02 1.41 0.00 0.00 0.00 175.76 177.45 1bld s MET 85 N -1.14 2.90 0.31 0.00 1.75 -1.16 -1.26 119.30 120.70 1bld s MET 85 Ca -0.12 -0.53 -0.17 0.00 -1.25 0.00 0.00 55.69 53.62 1bld s MET 85 Cb -0.05 -2.75 -0.09 0.00 2.84 0.00 0.00 34.83 34.78 1bld s MET 85 CO 0.04 0.65 0.76 0.15 -0.65 0.00 0.00 175.02 175.97 1bld s LYS 86 N -1.46 4.08 0.60 4.11 -0.14 0.59 -4.91 119.74 122.61 1bld s LYS 86 Ca 0.19 0.76 0.31 0.00 -1.36 0.00 0.00 55.97 55.87 1bld s LYS 86 Cb -0.12 -2.50 1.70 0.00 -1.68 0.00 0.00 37.83 35.24 1bld s LYS 86 CO 0.09 0.18 1.95 1.05 -0.76 0.00 0.00 175.35 177.87 1bld h GLU 87 N 2.45 0.00 0.09 1.68 -0.00 -1.99 -1.08 114.58 115.72 1bld h GLU 87 Ca -0.48 0.00 -0.28 0.00 -0.00 0.00 0.00 59.36 58.61 1bld h GLU 87 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.91 1bld h GLU 87 CO 0.65 0.00 -1.45 0.38 -0.00 0.00 0.00 179.01 178.58 1bld h ASP 88 N 0.00 0.28 0.00 3.06 3.04 -2.05 -3.48 116.42 117.27 1bld h ASP 88 Ca 0.00 -0.80 0.00 0.00 -3.24 0.00 0.00 57.03 52.99 1bld h ASP 88 Cb 0.44 -0.09 0.00 0.00 -1.04 0.00 0.00 39.33 38.64 1bld h ASP 88 CO 0.00 1.62 0.00 0.61 -2.04 0.00 0.00 179.24 179.43 1bld n GLY 89 N 1.72 0.29 3.71 7.15 0.00 -0.41 -4.73 105.19 112.91 1bld n GLY 89 Ca -0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1bld n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bld s ARG 90 N 0.00 4.35 -0.09 1.61 0.52 -1.26 -3.75 118.95 120.33 1bld s ARG 90 Ca 0.00 1.92 -0.14 0.00 -0.52 0.00 0.00 55.73 56.99 1bld s ARG 90 Cb 0.00 -3.37 -0.05 0.00 0.52 0.00 0.00 34.95 32.05 1bld s ARG 90 CO 0.00 -0.40 0.34 -0.51 0.02 0.00 0.00 175.30 174.75 1bld s LEU 91 N 1.44 4.36 0.00 2.53 1.02 -1.26 -0.30 118.68 126.47 1bld s LEU 91 Ca 0.62 0.72 -0.01 0.00 0.02 0.00 0.00 54.13 55.47 1bld s LEU 91 Cb -0.32 -2.45 0.00 0.00 0.02 0.00 0.00 46.19 43.44 1bld s LEU 91 CO 0.28 0.22 0.20 0.00 0.02 0.00 0.00 176.35 177.07 1bld n LEU 92 N 2.68 0.00 -3.94 1.79 -0.00 -0.39 -4.17 117.00 112.97 1bld n LEU 92 Ca -0.13 -1.10 -0.10 0.00 -0.00 0.00 0.00 56.01 54.68 1bld n LEU 92 Cb 0.52 1.02 -0.10 0.00 -0.00 0.00 0.00 43.42 44.86 1bld n LEU 92 CO 0.38 -0.26 -0.28 0.00 -0.00 0.00 0.00 177.39 177.23 1bld s ALA 93 N -1.99 -0.03 0.05 1.47 0.00 -0.87 -0.58 121.76 119.81 1bld s ALA 93 Ca 0.11 -0.48 -0.10 0.00 0.00 0.00 0.00 51.96 51.50 1bld s ALA 93 Cb -0.00 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.28 1bld s ALA 93 CO 0.08 -0.21 0.20 0.45 0.00 0.00 0.00 175.76 176.28 1bld s SER 94 N -1.62 0.04 0.49 0.00 0.15 -0.97 -4.55 113.70 107.24 1bld s SER 94 Ca -0.13 -0.41 0.31 0.00 0.70 0.00 0.00 55.95 56.42 1bld s SER 94 Cb -0.07 0.30 1.21 0.00 -1.71 0.00 0.00 66.02 65.75 1bld s SER 94 CO -0.01 -0.60 1.91 0.11 1.20 0.00 0.00 173.24 175.85 1bld h LYS 95 N 3.30 0.00 -6.06 5.44 1.57 -1.89 0.20 116.57 119.14 1bld h LYS 95 Ca -0.32 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.85 1bld h LYS 95 Cb 1.19 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.45 1bld h LYS 95 CO 0.50 0.00 -0.17 -1.12 -0.57 0.00 0.00 179.45 178.09 1bld s SER 96 N -5.50 6.86 -0.51 0.86 0.01 -1.26 -4.75 113.70 109.42 1bld s SER 96 Ca 0.02 1.03 -0.24 0.00 1.31 0.00 0.00 55.95 58.07 1bld s SER 96 Cb 0.09 -2.27 0.03 0.00 0.21 0.00 0.00 66.02 64.08 1bld s SER 96 CO 0.53 0.31 0.91 -0.69 0.41 0.00 0.00 173.24 174.72 1bld s VAL 97 N -1.07 4.46 0.27 3.43 1.01 -1.26 -4.73 120.40 122.51 1bld s VAL 97 Ca 0.25 0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.66 1bld s VAL 97 Cb -0.17 -4.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.69 1bld s VAL 97 CO 0.15 -0.96 0.49 0.42 0.00 0.00 0.00 175.10 175.19 1bld s THR 98 N 3.78 5.12 0.61 3.92 -4.23 -1.26 -4.94 115.64 118.65 1bld s THR 98 Ca 0.32 -0.26 0.28 0.00 -1.18 0.00 0.00 61.69 60.86 1bld s THR 98 Cb -0.12 -3.77 0.35 0.00 1.34 0.00 0.00 72.50 70.30 1bld s THR 98 CO 0.22 -0.33 1.88 0.44 -0.54 0.00 0.00 174.62 176.30 1bld h ASP 99 N 1.55 0.00 -1.45 3.99 3.32 -2.01 -1.60 116.42 120.22 1bld h ASP 99 Ca -0.48 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 55.92 1bld h ASP 99 Cb 1.20 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.55 1bld h ASP 99 CO 0.65 0.00 1.02 -0.62 -1.72 0.00 0.00 179.24 178.58 1bld n GLU 100 N -3.43 3.27 0.00 3.56 1.02 -1.26 -4.06 120.64 119.74 1bld n GLU 100 Ca 0.05 -3.12 0.00 0.00 -0.02 0.00 0.00 57.16 54.07 1bld n GLU 100 Cb 0.59 -2.31 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 1bld n GLU 100 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bld s PHE 102 N -0.06 3.48 -0.12 0.00 0.40 -1.26 -4.29 117.98 116.14 1bld s PHE 102 Ca 0.00 0.45 -0.04 0.00 -0.60 0.00 0.00 56.93 56.73 1bld s PHE 102 Cb 0.00 -1.94 0.06 0.00 0.51 0.00 0.00 43.02 41.65 1bld s PHE 102 CO 0.00 0.33 0.24 -0.06 0.70 0.00 0.00 175.22 176.43 1bld s PHE 103 N -1.90 -0.36 -0.76 0.36 0.40 -1.25 -3.54 117.98 110.94 1bld s PHE 103 Ca 0.40 0.87 -0.25 0.00 -0.60 0.00 0.00 56.93 57.35 1bld s PHE 103 Cb -0.11 -0.08 -0.06 0.00 0.51 0.00 0.00 43.02 43.28 1bld s PHE 103 CO 0.29 -0.32 2.06 -0.06 0.70 0.00 0.00 175.22 177.88 1bld s PHE 104 N 2.26 1.56 -0.91 0.36 0.08 -0.58 -3.88 117.98 116.88 1bld s PHE 104 Ca 0.00 1.02 -0.24 0.00 0.12 0.00 0.00 56.93 57.83 1bld s PHE 104 Cb -0.12 -3.90 0.03 0.00 -0.57 0.00 0.00 43.02 38.46 1bld s PHE 104 CO -0.08 -1.96 1.49 -2.00 -0.10 0.00 0.00 175.22 172.57 1bld s GLU 105 N 7.49 3.30 -0.03 0.44 2.12 -1.26 -2.53 118.70 128.23 1bld s GLU 105 Ca 0.76 -0.69 -0.15 0.00 0.36 0.00 0.00 54.97 55.25 1bld s GLU 105 Cb -0.11 -4.96 -0.05 0.00 0.26 0.00 0.00 34.13 29.27 1bld s GLU 105 CO 0.10 -2.37 0.40 0.50 -0.54 0.00 0.00 175.26 173.35 1bld s ARG 106 N 5.55 3.99 0.09 4.30 3.52 -0.75 -4.85 118.95 130.79 1bld s ARG 106 Ca 0.47 0.38 -0.19 0.00 -0.13 0.00 0.00 55.73 56.26 1bld s ARG 106 Cb -0.04 -3.27 -0.07 0.00 -1.56 0.00 0.00 34.95 30.02 1bld s ARG 106 CO -0.01 0.59 0.59 -1.17 -0.81 0.00 0.00 175.30 174.49 1bld s LEU 107 N -0.72 4.52 0.00 -0.88 2.96 -1.26 -1.35 118.68 121.94 1bld s LEU 107 Ca 0.23 1.28 -0.00 0.00 -0.22 0.00 0.00 54.13 55.43 1bld s LEU 107 Cb -0.16 -2.97 0.03 0.00 0.50 0.00 0.00 46.19 43.59 1bld s LEU 107 CO 0.12 0.25 0.18 -0.62 -1.32 0.00 0.00 176.35 174.96 1bld n GLU 108 N 1.62 0.46 -0.05 1.98 1.02 0.83 -4.97 120.64 121.53 1bld n GLU 108 Ca -0.09 -0.48 -0.13 0.00 -0.02 0.00 0.00 57.16 56.44 1bld n GLU 108 Cb 0.51 -0.12 -0.14 0.00 -0.02 0.00 0.00 31.44 31.66 1bld n GLU 108 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1bld n SER 109 N -2.99 1.05 -0.52 1.62 2.88 -1.26 -3.98 113.62 110.42 1bld n SER 109 Ca 0.03 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1bld n SER 109 Cb 0.10 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1bld n SER 109 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1bld n ASN 110 N -3.09 0.78 -2.79 -3.46 3.02 -1.26 -4.77 115.26 103.68 1bld n ASN 110 Ca -0.27 -1.43 -0.12 0.00 -0.03 0.00 0.00 54.58 52.73 1bld n ASN 110 Cb 1.07 -0.36 0.06 0.00 -0.61 0.00 0.00 39.78 39.94 1bld n ASN 110 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1bld n ASN 111 N 0.17 -4.09 -3.82 6.41 3.02 -1.26 -5.04 115.26 110.65 1bld n ASN 111 Ca 0.00 -0.50 -0.13 0.00 -0.03 0.00 0.00 54.58 53.93 1bld n ASN 111 Cb 0.19 -3.96 -0.14 0.00 -0.61 0.00 0.00 39.78 35.26 1bld n ASN 111 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1bld s TYR 112 N -3.28 -0.10 0.32 3.10 2.02 -1.26 -4.90 117.35 113.25 1bld s TYR 112 Ca 0.21 0.27 -0.08 0.00 -0.37 0.00 0.00 57.07 57.10 1bld s TYR 112 Cb -0.03 -0.01 -0.06 0.00 -0.40 0.00 0.00 41.96 41.46 1bld s TYR 112 CO 0.54 -0.07 0.63 -0.80 -1.57 0.00 0.00 175.55 174.28 1bld s ASN 113 N 0.34 6.50 -0.12 2.29 -0.87 -0.27 -0.12 114.94 122.69 1bld s ASN 113 Ca -0.02 0.89 -0.03 0.00 -1.57 0.00 0.00 52.86 52.13 1bld s ASN 113 Cb -0.04 -2.22 0.04 0.00 -0.02 0.00 0.00 41.25 39.02 1bld s ASN 113 CO -0.01 -0.25 0.04 0.42 -2.57 0.00 0.00 177.10 174.73 1bld s THR 114 N -2.14 0.21 -0.55 1.60 -4.23 -0.46 -1.69 115.64 108.39 1bld s THR 114 Ca 0.47 -0.07 -0.22 0.00 -1.18 0.00 0.00 61.69 60.69 1bld s THR 114 Cb -0.11 -0.60 0.06 0.00 1.34 0.00 0.00 72.50 73.18 1bld s THR 114 CO 0.29 -0.01 0.82 -0.31 -0.54 0.00 0.00 174.62 174.86 1bld s TYR 115 N 2.02 2.88 -0.08 3.99 2.02 -1.26 -1.82 117.35 125.10 1bld s TYR 115 Ca 0.03 -0.34 -0.15 0.00 -0.37 0.00 0.00 57.07 56.24 1bld s TYR 115 Cb -0.14 -3.91 -0.05 0.00 -0.40 0.00 0.00 41.96 37.46 1bld s TYR 115 CO -0.06 -1.28 0.39 0.50 -1.57 0.00 0.00 175.55 173.53 1bld s ARG 116 N 3.41 4.11 0.73 -0.62 3.52 -1.05 -2.31 118.95 126.75 1bld s ARG 116 Ca 0.22 0.32 -0.15 0.00 -0.13 0.00 0.00 55.73 55.99 1bld s ARG 116 Cb -0.16 -3.34 0.04 0.00 -1.56 0.00 0.00 34.95 29.93 1bld s ARG 116 CO 0.14 0.42 1.24 0.45 -0.81 0.00 0.00 175.30 176.74 1bld s SER 117 N -0.16 4.12 0.00 -2.12 0.15 -1.01 -1.52 113.70 113.16 1bld s SER 117 Ca 0.22 2.45 0.00 0.00 0.70 0.00 0.00 55.95 59.32 1bld s SER 117 Cb -0.15 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1bld s SER 117 CO 0.09 -2.32 0.00 -1.14 1.20 0.00 0.00 173.24 171.08 1bld n ARG 118 N -2.64 0.00 0.00 5.44 0.63 -1.23 -2.81 116.66 116.04 1bld n ARG 118 Ca 0.14 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 1bld n ARG 118 Cb 0.50 -0.35 0.00 0.00 0.45 0.00 0.00 32.46 33.05 1bld n ARG 118 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1bld n LYS 119 N -1.35 0.00 -3.14 -0.14 4.81 -1.26 -1.53 118.16 115.55 1bld n LYS 119 Ca 0.00 0.27 -0.18 0.00 -0.87 0.00 0.00 58.31 57.53 1bld n LYS 119 Cb 0.00 -1.72 -0.03 0.00 0.02 0.00 0.00 35.03 33.30 1bld n LYS 119 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1bld n TYR 120 N -1.27 0.46 0.00 5.64 4.01 -1.26 -4.91 117.16 119.84 1bld n TYR 120 Ca 0.00 -3.76 0.00 0.00 -0.16 0.00 0.00 57.90 53.98 1bld n TYR 120 Cb 0.22 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 38.83 1bld n TYR 120 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1bld n THR 121 N 0.23 0.02 0.80 -0.72 -2.24 -0.58 -1.18 114.28 110.61 1bld n THR 121 Ca 0.24 0.01 0.06 0.00 -2.27 0.00 0.00 64.05 62.09 1bld n THR 121 Cb 0.66 -1.01 0.17 0.00 -2.10 0.00 0.00 70.33 68.05 1bld n THR 121 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1bld n SER 122 N -1.00 2.02 -3.67 3.42 7.64 -1.26 -4.85 113.62 115.92 1bld n SER 122 Ca 0.00 -2.00 -0.14 0.00 1.01 0.00 0.00 58.87 57.73 1bld n SER 122 Cb 0.00 -0.25 -0.08 0.00 -1.01 0.00 0.00 64.21 62.87 1bld n SER 122 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1bld s TRP 123 N -1.50 -0.53 0.37 1.43 0.51 -0.33 -4.96 118.94 113.93 1bld s TRP 123 Ca 0.25 1.17 0.07 0.00 -2.12 0.00 0.00 56.10 55.47 1bld s TRP 123 Cb 0.13 0.23 -0.02 0.00 -0.81 0.00 0.00 33.47 33.00 1bld s TRP 123 CO 0.17 -0.38 0.38 0.71 -0.51 0.00 0.00 176.95 177.32 1bld s TYR 124 N -0.33 2.86 -0.15 -1.98 1.51 -1.26 -2.41 117.35 115.58 1bld s TYR 124 Ca -0.05 -0.36 -0.17 0.00 -1.01 0.00 0.00 57.07 55.48 1bld s TYR 124 Cb -0.03 -2.01 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 1bld s TYR 124 CO 0.03 -0.01 0.44 0.08 -1.11 0.00 0.00 175.55 174.98 1bld s VAL 125 N -2.35 5.20 -0.09 0.71 1.01 -0.98 -4.83 120.40 119.08 1bld s VAL 125 Ca 0.45 0.84 -0.18 0.00 0.00 0.00 0.00 61.98 63.10 1bld s VAL 125 Cb -0.06 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.59 1bld s VAL 125 CO 0.28 0.30 0.43 0.00 0.00 0.00 0.00 175.10 176.12 1bld s ALA 126 N 0.87 -1.09 0.63 5.51 0.00 -1.26 -4.70 121.76 121.72 1bld s ALA 126 Ca 0.23 0.90 0.06 0.00 0.00 0.00 0.00 51.96 53.15 1bld s ALA 126 Cb -0.15 -0.29 0.11 0.00 0.00 0.00 0.00 23.12 22.79 1bld s ALA 126 CO 0.09 -0.26 0.87 -0.51 0.00 0.00 0.00 175.76 175.95 1bld s LEU 127 N -0.62 3.04 0.00 0.00 1.43 -1.26 -2.53 118.68 118.74 1bld s LEU 127 Ca -0.07 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 1bld s LEU 127 Cb -0.03 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.51 1bld s LEU 127 CO 0.04 -1.56 0.00 0.29 0.23 0.00 0.00 176.35 175.35 1bld n LYS 128 N -2.47 1.19 0.02 1.70 5.02 0.58 -4.45 118.16 119.76 1bld n LYS 128 Ca 0.16 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.56 1bld n LYS 128 Cb 0.61 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.69 1bld n LYS 128 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1bld n ARG 129 N -0.79 0.22 -0.06 1.97 1.85 -1.26 -3.80 116.66 114.78 1bld n ARG 129 Ca 0.00 0.01 0.12 0.00 -1.00 0.00 0.00 57.85 56.98 1bld n ARG 129 Cb 0.00 -1.58 0.34 0.00 -1.05 0.00 0.00 32.46 30.17 1bld n ARG 129 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 1bld n THR 130 N -1.86 0.16 -0.33 8.89 5.66 -1.26 -4.89 114.28 120.64 1bld n THR 130 Ca 0.03 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.61 1bld n THR 130 Cb 0.41 0.73 0.00 0.00 -1.55 0.00 0.00 70.33 69.92 1bld n THR 130 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bld n GLY 131 N 1.25 0.67 3.94 1.09 0.00 -1.25 -4.97 105.19 105.92 1bld n GLY 131 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1bld n GLY 131 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bld s GLN 132 N -0.67 1.87 -0.26 1.61 -1.52 -1.26 0.20 119.66 119.63 1bld s GLN 132 Ca 0.00 -0.37 -0.18 0.00 -1.95 0.00 0.00 55.36 52.87 1bld s GLN 132 Cb 0.00 -2.13 -0.03 0.00 -0.22 0.00 0.00 33.01 30.64 1bld s GLN 132 CO 0.00 -1.47 0.50 1.52 -0.25 0.00 0.00 175.29 175.59 1bld s TYR 133 N -3.36 3.27 0.12 0.91 1.13 -1.26 -0.30 117.35 117.85 1bld s TYR 133 Ca 0.63 0.62 -0.31 0.00 -1.41 0.00 0.00 57.07 56.61 1bld s TYR 133 Cb -0.09 -2.70 -0.07 0.00 -1.10 0.00 0.00 41.96 38.00 1bld s TYR 133 CO 0.46 -0.27 1.26 0.21 -2.51 0.00 0.00 175.55 174.71 1bld s LYS 134 N 2.25 4.41 0.77 -3.49 2.20 -1.05 -4.78 119.74 120.05 1bld s LYS 134 Ca 0.21 1.91 -0.16 0.00 -0.36 0.00 0.00 55.97 57.56 1bld s LYS 134 Cb -0.16 -3.28 -0.06 0.00 -1.51 0.00 0.00 37.83 32.82 1bld s LYS 134 CO 0.09 -0.27 0.21 -0.11 -0.36 0.00 0.00 175.35 174.91 1bld n LEU 135 N 3.48 -1.05 0.00 5.43 7.94 -1.26 -4.71 117.00 126.83 1bld n LEU 135 Ca 0.08 0.50 0.11 0.00 -1.11 0.00 0.00 56.01 55.59 1bld n LEU 135 Cb 0.44 -1.09 0.62 0.00 0.53 0.00 0.00 43.42 43.93 1bld n LEU 135 CO 0.57 -3.89 0.84 0.61 -1.11 0.00 0.00 177.39 174.41 1bld n GLY 136 N 2.04 -0.76 0.08 -3.96 0.00 -1.25 -3.56 105.19 97.79 1bld n GLY 136 Ca 0.07 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 1bld n GLY 136 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bld n SER 137 N -1.07 1.85 0.00 1.61 3.41 -1.26 -4.04 113.62 114.12 1bld n SER 137 Ca 0.15 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1bld n SER 137 Cb 0.10 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 1bld n SER 137 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bld n LYS 138 N -4.54 0.00 -2.76 4.33 5.02 -1.23 -4.55 118.16 114.43 1bld n LYS 138 Ca -0.14 0.29 -0.30 0.00 -2.02 0.00 0.00 58.31 56.14 1bld n LYS 138 Cb 0.40 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 1bld n LYS 138 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1bld s THR 139 N -2.52 4.77 0.00 -0.18 -4.23 -1.23 -5.04 115.64 107.21 1bld s THR 139 Ca 0.00 0.64 0.00 0.00 -1.18 0.00 0.00 61.69 61.15 1bld s THR 139 Cb 0.00 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 70.09 1bld s THR 139 CO 0.00 -0.59 0.00 0.61 -0.54 0.00 0.00 174.62 174.10 1bld n GLY 140 N -1.47 -0.94 3.45 3.99 0.00 -1.26 -4.80 105.19 104.16 1bld n GLY 140 Ca 0.03 -1.24 -0.28 0.00 0.00 0.00 0.00 46.02 44.52 1bld n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bld s PRO 141 N -2.00 -1.31 0.00 1.61 0.04 -1.26 -3.44 135.00 128.65 1bld s PRO 141 Ca 0.00 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1bld s PRO 141 Cb 0.00 -1.52 0.00 0.00 0.04 0.00 0.00 34.50 33.02 1bld s PRO 141 CO 0.00 -3.95 0.00 0.41 0.04 0.00 0.00 177.00 173.50 1bld n GLY 142 N 0.93 1.71 3.74 0.56 0.00 -1.26 -4.94 105.19 105.93 1bld n GLY 142 Ca 0.03 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1bld n GLY 142 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bld s GLN 143 N 0.00 4.37 0.00 1.61 -0.21 -1.22 -4.88 119.66 119.32 1bld s GLN 143 Ca 0.00 2.10 0.26 0.00 0.02 0.00 0.00 55.36 57.75 1bld s GLN 143 Cb 0.00 -3.17 1.28 0.00 1.00 0.00 0.00 33.01 32.12 1bld s GLN 143 CO 0.00 -0.27 1.86 1.63 -2.12 0.00 0.00 175.29 176.39 1bld n LYS 144 N 2.41 1.34 0.00 2.91 5.02 -1.26 -3.88 118.16 124.69 1bld n LYS 144 Ca 0.06 -0.49 0.00 0.00 -2.02 0.00 0.00 58.31 55.85 1bld n LYS 144 Cb 0.42 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1bld n LYS 144 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bld n ALA 145 N -0.36 1.30 0.77 7.82 0.00 -1.26 -0.24 120.51 128.53 1bld n ALA 145 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.75 1bld n ALA 145 Cb 0.22 -0.98 0.21 0.00 0.00 0.00 0.00 19.45 18.89 1bld n ALA 145 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1bld n ILE 146 N -1.17 0.24 -3.05 0.00 -5.35 -1.25 -4.55 119.36 104.22 1bld n ILE 146 Ca 0.00 -0.57 -0.43 0.00 -0.27 0.00 0.00 62.75 61.48 1bld n ILE 146 Cb 0.00 1.09 -0.06 0.00 -1.74 0.00 0.00 39.64 38.93 1bld n ILE 146 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1bld s LEU 147 N -1.74 4.40 0.39 7.28 1.43 0.67 -4.25 118.68 126.85 1bld s LEU 147 Ca 0.34 -0.23 0.08 0.00 -1.03 0.00 0.00 54.13 53.28 1bld s LEU 147 Cb 0.21 -2.82 -0.06 0.00 0.03 0.00 0.00 46.19 43.55 1bld s LEU 147 CO 0.31 -0.82 0.05 -0.36 0.23 0.00 0.00 176.35 175.75 1bld s PHE 148 N 3.00 2.54 -0.41 0.29 0.40 -0.68 -3.21 117.98 119.91 1bld s PHE 148 Ca 0.25 -0.57 0.08 0.00 -0.60 0.00 0.00 56.93 56.09 1bld s PHE 148 Cb -0.13 -1.73 0.25 0.00 0.51 0.00 0.00 43.02 41.92 1bld s PHE 148 CO 0.20 0.39 0.58 -0.11 0.70 0.00 0.00 175.22 176.98 1bld n LEU 149 N -1.03 -0.38 -4.58 -0.37 7.94 -0.74 -1.11 117.00 116.73 1bld n LEU 149 Ca -0.04 -4.44 -0.40 0.00 -1.11 0.00 0.00 56.01 50.02 1bld n LEU 149 Cb 0.65 0.67 -0.03 0.00 0.53 0.00 0.00 43.42 45.24 1bld n LEU 149 CO 0.46 2.05 1.83 -2.84 -1.11 0.00 0.00 177.39 177.79 1bld s PRO 150 N -0.83 2.79 -0.29 1.96 0.02 -1.26 -3.85 135.00 133.54 1bld s PRO 150 Ca 0.34 1.60 -0.14 0.00 0.02 0.00 0.00 61.00 62.83 1bld s PRO 150 Cb 0.18 -4.41 -0.03 0.00 0.02 0.00 0.00 34.50 30.25 1bld s PRO 150 CO -0.14 -2.50 0.31 -1.64 -0.33 0.00 0.00 177.00 172.71 1bld s MET 151 N 6.90 3.86 0.52 5.54 -1.94 -1.09 -4.90 119.30 128.19 1bld s MET 151 Ca 0.93 -0.22 -0.22 0.00 -1.71 0.00 0.00 55.69 54.47 1bld s MET 151 Cb -0.24 -3.70 -0.06 0.00 2.01 0.00 0.00 34.83 32.84 1bld s MET 151 CO 0.31 -0.32 1.34 0.45 -0.01 0.00 0.00 175.02 176.79 1bld s SER 152 N 1.70 5.51 -1.19 3.03 0.15 -1.26 -3.08 113.70 118.56 1bld s SER 152 Ca 0.11 2.71 -0.05 0.00 0.70 0.00 0.00 55.95 59.43 1bld s SER 152 Cb -0.16 -2.63 0.12 0.00 -1.71 0.00 0.00 66.02 61.64 1bld s SER 152 CO 0.11 -1.40 2.41 0.00 1.20 0.00 0.00 173.24 175.56 1bld n ALA 153 N -0.81 6.73 -1.00 5.45 0.00 -1.21 -4.79 120.51 124.89 1bld n ALA 153 Ca 0.09 -3.97 0.00 0.00 0.00 0.00 0.00 53.44 49.56 1bld n ALA 153 Cb 0.45 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.24 1bld n ALA 153 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1bld n LYS 154 N 1.51 0.00 0.00 0.00 4.76 -1.26 -4.95 118.16 118.23 1bld n LYS 154 Ca 0.60 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 56.17 1bld n LYS 154 Cb 0.29 -0.50 0.40 0.00 -1.84 0.00 0.00 35.03 33.38 1bld n LYS 154 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46