#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 -3.51 -0.63 3.17 0.00 -1.26 -5.11 121.76 114.43 1bld s ALA 2 Ca 0.00 1.34 -0.20 0.00 0.00 0.00 0.00 51.96 53.10 1bld s ALA 2 Cb 0.00 -2.68 0.10 0.00 0.00 0.00 0.00 23.12 20.54 1bld s ALA 2 CO 0.00 -1.88 0.80 -1.21 0.00 0.00 0.00 175.76 173.47 1bld s GLU 3 N 2.93 3.09 -0.89 0.00 0.41 -1.26 -4.92 118.70 118.06 1bld s GLU 3 Ca 0.18 -1.21 -0.08 0.00 -0.41 0.00 0.00 54.97 53.45 1bld s GLU 3 Cb -0.06 -4.28 -0.14 0.00 -1.78 0.00 0.00 34.13 27.87 1bld s GLU 3 CO -0.21 -1.63 2.95 0.41 -0.49 0.00 0.00 175.26 176.29 1bld n GLY 4 N 5.28 3.50 7.00 -1.39 0.00 -1.26 -4.89 105.19 113.44 1bld n GLY 4 Ca -0.06 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1bld n GLY 4 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bld n GLU 5 N 3.29 0.00 -2.97 1.61 1.02 -1.26 -3.73 120.64 118.60 1bld n GLU 5 Ca 0.58 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 57.28 1bld n GLU 5 Cb 0.44 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.82 1bld n GLU 5 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1bld s ILE 6 N 0.00 4.55 0.44 -3.67 -1.09 -1.26 -5.04 121.20 115.13 1bld s ILE 6 Ca 0.00 -0.49 -0.07 0.00 -2.23 0.00 0.00 60.65 57.86 1bld s ILE 6 Cb 0.00 -4.56 0.11 0.00 -1.58 0.00 0.00 42.46 36.43 1bld s ILE 6 CO 0.00 -1.23 0.24 0.35 -1.23 0.00 0.00 174.94 173.07 1bld n THR 7 N 5.80 0.00 -1.99 2.92 -2.24 -1.24 -4.80 114.28 112.73 1bld n THR 7 Ca -0.05 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.35 1bld n THR 7 Cb 0.45 -0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 68.39 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 -3.68 4.97 -2.94 4.28 -1.04 -1.26 -4.97 114.28 109.64 1bld n THR 8 Ca 0.04 -4.33 -0.31 0.00 -2.04 0.00 0.00 64.05 57.40 1bld n THR 8 Cb 0.17 -1.87 -0.05 0.00 -1.82 0.00 0.00 70.33 66.76 1bld n THR 8 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1bld s LEU 9 N -2.55 3.92 0.72 -4.42 1.43 -1.26 -5.02 118.68 111.49 1bld s LEU 9 Ca 0.53 1.25 -0.16 0.00 -1.03 0.00 0.00 54.13 54.72 1bld s LEU 9 Cb 0.23 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 42.35 1bld s LEU 9 CO -0.14 -0.33 0.94 -2.65 0.23 0.00 0.00 176.35 174.41 1bld n PRO 10 N -0.89 0.49 -3.89 1.29 -0.01 -1.26 -5.03 135.00 125.70 1bld n PRO 10 Ca 0.03 0.22 -0.09 0.00 -0.01 0.00 0.00 63.50 63.65 1bld n PRO 10 Cb 0.54 -2.20 -0.08 0.00 -0.01 0.00 0.00 33.50 31.74 1bld n PRO 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bld s ALA 11 N -1.83 -0.17 -0.38 3.55 0.00 -1.26 -5.10 121.76 116.57 1bld s ALA 11 Ca 0.73 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.18 1bld s ALA 11 Cb -0.34 0.33 0.27 0.00 0.00 0.00 0.00 23.12 23.38 1bld s ALA 11 CO 0.51 -0.39 1.15 -0.11 0.00 0.00 0.00 175.76 176.92 1bld n LEU 12 N 0.46 -1.81 -4.72 0.00 7.94 -1.26 -5.15 117.00 112.46 1bld n LEU 12 Ca -0.17 -2.34 -0.31 0.00 -1.11 0.00 0.00 56.01 52.07 1bld n LEU 12 Cb 0.60 0.71 0.13 0.00 0.53 0.00 0.00 43.42 45.39 1bld n LEU 12 CO 0.23 1.73 0.70 -2.16 -1.11 0.00 0.00 177.39 176.77 1bld s PRO 13 N 0.28 1.67 -0.22 1.96 0.04 -1.26 -4.30 135.00 133.17 1bld s PRO 13 Ca 0.27 1.38 -0.12 0.00 0.04 0.00 0.00 61.00 62.57 1bld s PRO 13 Cb 0.23 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.97 1bld s PRO 13 CO -0.14 -2.12 0.24 0.39 0.04 0.00 0.00 177.00 175.41 1bld n GLU 14 N -3.81 -1.49 0.00 4.56 4.71 -1.26 -4.03 120.64 119.33 1bld n GLU 14 Ca 0.11 1.43 0.00 0.00 -0.01 0.00 0.00 57.16 58.69 1bld n GLU 14 Cb 0.52 -2.50 0.00 0.00 -1.01 0.00 0.00 31.44 28.46 1bld n GLU 14 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1bld n ASP 15 N 0.63 0.00 0.00 1.62 9.92 -1.26 -3.56 116.55 123.90 1bld n ASP 15 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1bld n ASP 15 Cb 0.46 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.94 1bld n ASP 15 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bld n GLY 16 N 0.00 0.00 0.00 0.44 0.00 -1.26 -4.92 105.19 99.46 1bld n GLY 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bld n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bld n GLY 17 N -0.37 -2.18 3.50 -0.02 0.00 -1.23 -4.53 105.19 100.36 1bld n GLY 17 Ca 0.00 -1.46 -0.17 0.00 0.00 0.00 0.00 46.02 44.39 1bld n GLY 17 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bld n SER 18 N -1.97 -5.95 0.00 1.61 7.64 -1.26 -4.89 113.62 108.79 1bld n SER 18 Ca 0.00 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.31 1bld n SER 18 Cb 0.00 -2.97 0.00 0.00 -1.01 0.00 0.00 64.21 60.23 1bld n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bld n GLY 19 N -1.53 -2.90 0.47 0.23 0.00 -1.26 -4.82 105.19 95.38 1bld n GLY 19 Ca -0.19 0.32 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.21 0.21 -0.05 4.61 0.00 -1.26 -5.02 120.51 117.79 1bld n ALA 20 Ca 0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.17 1bld n ALA 20 Cb 0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 19.45 19.15 1bld n ALA 20 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1bld h PHE 21 N 0.00 0.04 -3.80 0.00 -1.00 -1.99 -3.45 116.94 106.73 1bld h PHE 21 Ca -0.11 -0.02 -0.46 0.00 2.81 0.00 0.00 57.97 60.19 1bld h PHE 21 Cb 0.60 -0.00 0.17 0.00 3.61 0.00 0.00 35.95 40.33 1bld h PHE 21 CO -0.06 0.84 0.16 -1.25 -1.61 0.00 0.00 178.31 176.39 1bld s PRO 22 N -2.93 0.36 0.07 1.51 0.05 -1.26 -4.90 135.00 127.90 1bld s PRO 22 Ca -0.18 0.77 -0.30 0.00 0.05 0.00 0.00 61.00 61.34 1bld s PRO 22 Cb -0.01 -1.71 -0.09 0.00 0.05 0.00 0.00 34.50 32.74 1bld s PRO 22 CO 0.69 -2.84 1.89 -1.25 0.05 0.00 0.00 177.00 175.54 1bld s PRO 23 N -4.80 4.14 0.00 0.56 0.04 -1.26 -4.40 135.00 129.28 1bld s PRO 23 Ca 0.66 2.58 0.00 0.00 0.04 0.00 0.00 61.00 64.28 1bld s PRO 23 Cb -0.20 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1bld s PRO 23 CO 0.59 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 177.14 1bld n GLY 24 N 4.39 0.00 0.00 0.56 0.00 -1.26 -5.00 105.19 103.87 1bld n GLY 24 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1bld n GLY 24 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bld n HIS 25 N 0.00 0.00 0.18 1.61 8.25 -1.26 -4.82 115.22 119.18 1bld n HIS 25 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 1bld n HIS 25 Cb 0.00 0.04 0.12 0.00 1.12 0.00 0.00 29.99 31.27 1bld n HIS 25 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1bld n PHE 26 N 0.00 0.27 1.27 4.41 3.72 -1.26 -4.37 117.46 121.49 1bld n PHE 26 Ca 0.00 -0.24 0.14 0.00 -0.05 0.00 0.00 57.45 57.30 1bld n PHE 26 Cb 0.47 -0.01 0.63 0.00 -0.94 0.00 0.00 39.48 39.63 1bld n PHE 26 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1bld n LYS 27 N 0.72 0.35 -3.81 -1.08 3.00 -1.26 -4.78 118.16 111.30 1bld n LYS 27 Ca 0.11 -0.07 -0.12 0.00 -0.00 0.00 0.00 58.31 58.23 1bld n LYS 27 Cb 0.39 -1.50 -0.09 0.00 0.00 0.00 0.00 35.03 33.83 1bld n LYS 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1bld s ASP 28 N -2.69 -0.09 1.03 3.14 1.11 -1.26 -5.12 116.67 112.78 1bld s ASP 28 Ca 0.23 -0.05 -0.13 0.00 0.18 0.00 0.00 52.55 52.78 1bld s ASP 28 Cb 0.20 0.26 0.15 0.00 1.07 0.00 0.00 42.92 44.60 1bld s ASP 28 CO 0.51 -0.41 0.70 -2.65 1.18 0.00 0.00 175.17 174.51 1bld n PRO 29 N 1.38 -1.13 -4.08 8.23 -0.01 -1.26 -4.64 135.00 133.48 1bld n PRO 29 Ca -0.22 -0.29 -0.16 0.00 -0.01 0.00 0.00 63.50 62.82 1bld n PRO 29 Cb 0.56 -2.06 -0.15 0.00 -0.01 0.00 0.00 33.50 31.84 1bld n PRO 29 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 175.50 175.64 1bld s LYS 30 N -4.09 0.40 -0.22 -0.52 1.02 -0.91 -1.95 119.74 113.47 1bld s LYS 30 Ca 0.63 -0.10 -0.22 0.00 0.02 0.00 0.00 55.97 56.29 1bld s LYS 30 Cb -0.21 -0.43 -0.02 0.00 -0.52 0.00 0.00 37.83 36.65 1bld s LYS 30 CO 0.64 0.03 0.71 1.03 -0.92 0.00 0.00 175.35 176.84 1bld s ARG 31 N 0.25 4.20 -0.74 1.68 0.52 -0.92 -3.87 118.95 120.06 1bld s ARG 31 Ca -0.02 0.75 -0.23 0.00 -0.52 0.00 0.00 55.73 55.71 1bld s ARG 31 Cb -0.06 -3.61 0.07 0.00 0.52 0.00 0.00 34.95 31.88 1bld s ARG 31 CO -0.00 -0.36 1.07 -0.51 0.02 0.00 0.00 175.30 175.51 1bld s LEU 32 N 2.31 4.26 -0.26 2.53 1.43 -1.26 -2.24 118.68 125.45 1bld s LEU 32 Ca 0.31 -1.12 -0.17 0.00 -1.03 0.00 0.00 54.13 52.12 1bld s LEU 32 Cb -0.16 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.59 1bld s LEU 32 CO 0.10 -1.44 0.47 -0.47 0.23 0.00 0.00 176.35 175.24 1bld s TYR 33 N 4.14 3.27 -0.50 0.29 5.04 -1.25 -2.51 117.35 125.84 1bld s TYR 33 Ca 0.27 0.59 -0.21 0.00 -2.44 0.00 0.00 57.07 55.27 1bld s TYR 33 Cb -0.12 -2.67 0.04 0.00 0.35 0.00 0.00 41.96 39.55 1bld s TYR 33 CO 0.06 -0.25 0.74 0.00 -1.34 0.00 0.00 175.55 174.77 1bld h LYS 35 N 9.06 0.00 -6.26 0.00 3.11 -1.87 -1.52 116.57 119.09 1bld h LYS 35 Ca -0.26 0.00 -0.56 0.00 -2.81 0.00 0.00 60.65 57.01 1bld h LYS 35 Cb 1.09 0.00 -0.09 0.00 -1.00 0.00 0.00 32.23 32.23 1bld h LYS 35 CO 0.98 0.00 1.21 -0.80 -2.81 0.00 0.00 179.45 178.03 1bld s ASN 36 N -5.45 6.28 0.00 4.20 0.01 -1.26 -3.25 114.94 115.48 1bld s ASN 36 Ca -0.05 -0.82 0.00 0.00 -0.71 0.00 0.00 52.86 51.29 1bld s ASN 36 Cb 0.13 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.23 1bld s ASN 36 CO 0.45 -1.72 0.00 0.61 -1.51 0.00 0.00 177.10 174.94 1bld n GLY 37 N 5.91 0.76 3.17 0.66 0.00 -1.26 -4.48 105.19 109.95 1bld n GLY 37 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.33 -0.86 2.92 -0.02 0.00 -0.62 -5.00 105.19 99.28 1bld n GLY 38 Ca 0.00 0.69 -0.13 0.00 0.00 0.00 0.00 46.02 46.58 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 -1.53 -0.13 -0.21 1.61 0.08 -0.92 -4.72 117.98 112.16 1bld s PHE 39 Ca 0.18 0.40 -0.16 0.00 0.12 0.00 0.00 56.93 57.46 1bld s PHE 39 Cb -0.03 -0.07 -0.04 0.00 -0.57 0.00 0.00 43.02 42.32 1bld s PHE 39 CO 0.56 -0.13 0.41 -0.06 -0.10 0.00 0.00 175.22 175.90 1bld s PHE 40 N 0.90 3.36 0.36 0.36 0.40 -0.74 -0.98 117.98 121.65 1bld s PHE 40 Ca -0.07 0.62 -0.28 0.00 -0.60 0.00 0.00 56.93 56.60 1bld s PHE 40 Cb -0.09 -2.55 -0.12 0.00 0.51 0.00 0.00 43.02 40.77 1bld s PHE 40 CO -0.04 -0.04 1.34 -0.11 0.70 0.00 0.00 175.22 177.06 1bld n LEU 41 N 4.59 3.90 -3.67 -0.37 7.94 -1.05 -0.82 117.00 127.53 1bld n LEU 41 Ca -0.08 1.20 -0.13 0.00 -1.11 0.00 0.00 56.01 55.90 1bld n LEU 41 Cb 0.51 -1.52 -0.13 0.00 0.53 0.00 0.00 43.42 42.81 1bld n LEU 41 CO 0.40 -0.34 -0.11 -0.60 -1.11 0.00 0.00 177.39 175.62 1bld s ARG 42 N -1.97 0.18 -0.25 1.96 3.52 0.01 -4.55 118.95 117.86 1bld s ARG 42 Ca 0.55 0.75 -0.16 0.00 -0.13 0.00 0.00 55.73 56.74 1bld s ARG 42 Cb -0.54 -0.01 -0.03 0.00 -1.56 0.00 0.00 34.95 32.80 1bld s ARG 42 CO 0.62 -0.26 0.42 0.42 -0.81 0.00 0.00 175.30 175.69 1bld s ILE 43 N 2.27 5.15 0.32 4.11 1.01 -1.26 -1.67 121.20 131.13 1bld s ILE 43 Ca -0.01 0.70 -0.14 0.00 0.00 0.00 0.00 60.65 61.20 1bld s ILE 43 Cb -0.12 -3.74 -0.09 0.00 0.01 0.00 0.00 42.46 38.52 1bld s ILE 43 CO -0.09 0.16 0.71 -1.00 0.00 0.00 0.00 174.94 174.73 1bld s HIS 44 N 1.92 3.38 0.63 3.97 3.76 -0.99 -4.70 115.29 123.27 1bld s HIS 44 Ca 0.18 1.16 0.35 0.00 -0.15 0.00 0.00 55.06 56.61 1bld s HIS 44 Cb -0.15 -2.49 1.99 0.00 1.11 0.00 0.00 32.58 33.03 1bld s HIS 44 CO 0.09 0.10 2.20 -1.00 -0.85 0.00 0.00 174.74 175.29 1bld h PRO 45 N 2.22 0.00 0.00 8.40 0.13 -1.92 0.16 132.00 141.00 1bld h PRO 45 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.66 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.03 1bld n ASP 46 N -3.37 0.00 0.00 1.44 5.68 -1.26 -4.85 116.55 114.19 1bld n ASP 46 Ca -0.02 -0.83 0.00 0.00 -0.50 0.00 0.00 54.79 53.44 1bld n ASP 46 Cb 0.19 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 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 0.48 2.25 3.68 6.12 0.00 0.56 -4.98 105.19 113.30 1bld n GLY 47 Ca 0.16 -0.47 -0.49 0.00 0.00 0.00 0.00 46.02 45.22 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 2.09 -3.89 1.61 1.74 -1.26 -3.85 116.66 113.10 1bld n ARG 48 Ca 0.00 0.77 -0.35 0.00 -0.77 0.00 0.00 57.85 57.50 1bld n ARG 48 Cb 0.00 -2.60 -0.09 0.00 -1.02 0.00 0.00 32.46 28.75 1bld n ARG 48 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1bld s VAL 49 N 4.11 5.08 0.15 1.55 1.01 -1.26 -2.34 120.40 128.69 1bld s VAL 49 Ca 0.94 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.87 1bld s VAL 49 Cb -0.72 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1bld s VAL 49 CO 0.53 0.46 0.33 1.51 0.00 0.00 0.00 175.10 177.93 1bld s ASP 50 N 0.28 -0.03 0.32 3.32 1.47 -0.67 -4.43 116.67 116.93 1bld s ASP 50 Ca 0.06 -0.69 -0.02 0.00 1.18 0.00 0.00 52.55 53.08 1bld s ASP 50 Cb -0.12 0.45 -0.04 0.00 -0.34 0.00 0.00 42.92 42.87 1bld s ASP 50 CO -0.01 -0.89 0.56 -0.83 0.68 0.00 0.00 175.17 174.68 1bld s GLY 51 N -2.91 1.59 -0.07 2.12 0.00 -1.09 -0.81 107.32 106.16 1bld s GLY 51 Ca 0.12 -0.73 -0.08 0.00 0.00 0.00 0.00 44.72 44.02 1bld s GLY 51 CO -0.04 -0.65 0.21 -1.34 0.00 0.00 0.00 173.10 171.28 1bld s VAL 52 N -2.23 0.02 -2.00 1.40 -7.23 0.00 -4.75 120.40 105.61 1bld s VAL 52 Ca 0.42 -0.12 0.19 0.00 -1.81 0.00 0.00 61.98 60.66 1bld s VAL 52 Cb -0.10 -0.34 0.55 0.00 0.56 0.00 0.00 36.38 37.04 1bld s VAL 52 CO 0.34 -0.07 1.74 0.54 -0.31 0.00 0.00 175.10 177.34 1bld n ARG 53 N 2.65 0.99 -2.99 4.82 1.74 -1.26 -1.78 116.66 120.83 1bld n ARG 53 Ca -0.15 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.49 1bld n ARG 53 Cb 0.58 -1.31 -0.03 0.00 -1.02 0.00 0.00 32.46 30.69 1bld n ARG 53 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1bld s GLU 54 N -2.00 3.50 -1.01 5.56 0.41 -1.26 -4.90 118.70 119.01 1bld s GLU 54 Ca 0.29 -1.72 -0.07 0.00 -0.41 0.00 0.00 54.97 53.06 1bld s GLU 54 Cb 0.13 -4.73 -0.03 0.00 -1.78 0.00 0.00 34.13 27.72 1bld s GLU 54 CO 0.22 -1.70 2.87 0.36 -0.49 0.00 0.00 175.26 176.53 1bld n LYS 55 N 6.32 3.44 0.00 1.61 2.85 -1.26 -3.79 118.16 127.32 1bld n LYS 55 Ca 0.17 -2.41 0.00 0.00 -1.05 0.00 0.00 58.31 55.02 1bld n LYS 55 Cb 0.48 -2.47 0.00 0.00 -0.65 0.00 0.00 35.03 32.39 1bld n LYS 55 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1bld n SER 56 N 2.27 0.00 -4.83 -5.58 3.41 -1.26 -4.58 113.62 103.05 1bld n SER 56 Ca 0.61 -1.00 -0.38 0.00 -0.26 0.00 0.00 58.87 57.84 1bld n SER 56 Cb 0.42 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 1bld n SER 56 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1bld s ASP 57 N 0.00 6.89 0.00 4.04 -4.77 -1.25 -4.92 116.67 116.66 1bld s ASP 57 Ca 0.00 1.06 0.01 0.00 -3.30 0.00 0.00 52.55 50.32 1bld s ASP 57 Cb 0.00 -2.28 0.09 0.00 -1.09 0.00 0.00 42.92 39.63 1bld s ASP 57 CO 0.00 0.31 0.34 -0.81 0.70 0.00 0.00 175.17 175.71 1bld n PRO 58 N 1.77 0.13 -0.06 2.11 -0.04 -1.26 -2.09 135.00 135.56 1bld n PRO 58 Ca -0.13 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.19 1bld n PRO 58 Cb 0.52 -1.18 -0.14 0.00 -0.04 0.00 0.00 33.50 32.66 1bld n PRO 58 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1bld n HIS 59 N -0.68 0.60 0.32 0.54 8.25 -1.26 -3.99 115.22 119.00 1bld n HIS 59 Ca 0.01 0.17 0.04 0.00 -0.26 0.00 0.00 57.72 57.68 1bld n HIS 59 Cb 0.01 -1.09 0.17 0.00 1.12 0.00 0.00 29.99 30.20 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 -3.12 1.01 -2.77 1.59 -5.35 -0.89 -4.15 119.36 105.68 1bld n ILE 60 Ca -0.31 0.25 -0.43 0.00 -0.27 0.00 0.00 62.75 61.99 1bld n ILE 60 Cb 1.07 -1.13 -0.01 0.00 -1.74 0.00 0.00 39.64 37.82 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 -2.66 3.85 -0.02 6.28 1.02 -1.26 -4.49 119.74 122.46 1bld s LYS 61 Ca 0.06 -1.94 -0.19 0.00 0.02 0.00 0.00 55.97 53.92 1bld s LYS 61 Cb 0.05 -5.21 -0.05 0.00 -0.52 0.00 0.00 37.83 32.09 1bld s LYS 61 CO 0.11 -1.99 0.55 -0.51 -0.92 0.00 0.00 175.35 172.60 1bld s LEU 62 N 3.22 4.41 -0.39 3.17 1.43 -1.25 -3.88 118.68 125.39 1bld s LEU 62 Ca 0.44 1.09 -0.20 0.00 -1.03 0.00 0.00 54.13 54.42 1bld s LEU 62 Cb -0.01 -2.84 0.01 0.00 0.03 0.00 0.00 46.19 43.38 1bld s LEU 62 CO -0.02 0.12 0.62 -1.58 0.23 0.00 0.00 176.35 175.72 1bld s GLN 63 N -0.23 3.50 0.24 1.70 -0.44 0.16 -2.15 119.66 122.43 1bld s GLN 63 Ca 0.29 -0.16 -0.07 0.00 -2.50 0.00 0.00 55.36 52.93 1bld s GLN 63 Cb -0.18 -3.87 -0.06 0.00 -1.64 0.00 0.00 33.01 27.26 1bld s GLN 63 CO 0.16 -0.84 0.51 -0.51 0.50 0.00 0.00 175.29 175.11 1bld s LEU 64 N 2.71 4.14 -0.04 3.68 1.02 -1.26 -1.19 118.68 127.73 1bld s LEU 64 Ca 0.23 0.76 -0.01 0.00 0.02 0.00 0.00 54.13 55.13 1bld s LEU 64 Cb -0.14 -3.54 0.03 0.00 0.02 0.00 0.00 46.19 42.56 1bld s LEU 64 CO 0.16 -0.10 0.02 -1.58 0.02 0.00 0.00 176.35 174.88 1bld s GLN 65 N -3.10 0.24 0.09 1.70 0.74 0.64 -4.70 119.66 115.26 1bld s GLN 65 Ca 0.45 0.19 -0.29 0.00 0.05 0.00 0.00 55.36 55.76 1bld s GLN 65 Cb -0.11 -0.61 -0.05 0.00 1.10 0.00 0.00 33.01 33.34 1bld s GLN 65 CO 0.26 -0.25 0.92 0.00 -0.55 0.00 0.00 175.29 175.67 1bld s ALA 66 N 1.65 3.26 0.00 1.58 0.00 -1.26 -0.33 121.76 126.67 1bld s ALA 66 Ca -0.01 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1bld s ALA 66 Cb -0.13 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1bld s ALA 66 CO -0.03 -0.02 0.00 -1.91 0.00 0.00 0.00 175.76 173.79 1bld n GLU 67 N 2.89 0.00 0.00 0.00 2.13 -1.03 -4.93 120.64 119.70 1bld n GLU 67 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1bld n GLU 67 Cb 0.50 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.21 1bld n GLU 67 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1bld n GLU 68 N -0.05 2.63 -1.91 5.31 1.02 -1.25 -4.93 120.64 121.45 1bld n GLU 68 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 1bld n GLU 68 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 1bld n GLU 68 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1bld n ARG 69 N 0.00 3.53 0.00 3.49 0.00 -1.26 -4.20 116.66 118.22 1bld n ARG 69 Ca 0.00 -3.29 0.00 0.00 -0.00 0.00 0.00 57.85 54.56 1bld n ARG 69 Cb 0.00 -2.34 0.00 0.00 -0.00 0.00 0.00 32.46 30.12 1bld n ARG 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bld n GLY 70 N 0.58 0.41 3.89 2.89 0.00 -1.26 -5.14 105.19 106.56 1bld n GLY 70 Ca 0.53 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.25 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 4.93 0.15 1.61 1.01 -1.26 -3.48 120.40 123.37 1bld s VAL 71 Ca 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.21 1bld s VAL 71 Cb 0.00 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1bld s VAL 71 CO 0.00 -0.41 0.14 0.68 0.00 0.00 0.00 175.10 175.51 1bld s VAL 72 N -2.21 0.07 -0.05 2.92 -7.23 -1.26 -2.48 120.40 110.18 1bld s VAL 72 Ca 0.47 -1.78 -0.01 0.00 -1.81 0.00 0.00 61.98 58.85 1bld s VAL 72 Cb -0.11 -2.07 0.03 0.00 0.56 0.00 0.00 36.38 34.79 1bld s VAL 72 CO 0.31 -0.33 0.01 -0.44 -0.31 0.00 0.00 175.10 174.33 1bld s SER 73 N -3.05 0.98 0.13 4.85 0.01 0.56 -3.72 113.70 113.47 1bld s SER 73 Ca 0.25 -0.03 -0.07 0.00 1.31 0.00 0.00 55.95 57.40 1bld s SER 73 Cb 0.06 -0.30 -0.06 0.00 0.21 0.00 0.00 66.02 65.93 1bld s SER 73 CO 0.03 -0.15 0.41 -0.63 0.41 0.00 0.00 173.24 173.31 1bld s ILE 74 N 1.54 5.11 -0.13 1.44 1.01 -1.26 -0.26 121.20 128.65 1bld s ILE 74 Ca -0.02 0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.81 1bld s ILE 74 Cb -0.13 -3.63 0.05 0.00 0.01 0.00 0.00 42.46 38.76 1bld s ILE 74 CO -0.03 0.11 0.30 -0.75 0.00 0.00 0.00 174.94 174.57 1bld s LYS 75 N -2.42 0.26 0.13 2.79 2.20 -0.34 -3.79 119.74 118.58 1bld s LYS 75 Ca 0.39 0.61 -0.26 0.00 -0.36 0.00 0.00 55.97 56.35 1bld s LYS 75 Cb -0.13 -0.09 -0.07 0.00 -1.51 0.00 0.00 37.83 36.03 1bld s LYS 75 CO 0.22 -0.16 0.80 0.20 -0.36 0.00 0.00 175.35 176.05 1bld s GLY 76 N 1.31 2.91 -0.02 5.54 0.00 -0.42 0.36 107.32 117.00 1bld s GLY 76 Ca -0.09 0.38 -0.00 0.00 0.00 0.00 0.00 44.72 45.00 1bld s GLY 76 CO -0.10 1.01 0.05 -2.08 0.00 0.00 0.00 173.10 171.97 1bld h VAL 77 N 3.60 0.00 0.30 1.40 2.07 -1.88 -1.40 116.25 120.34 1bld h VAL 77 Ca -0.46 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1bld h VAL 77 Cb 1.21 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1bld h VAL 77 CO 0.68 0.00 -0.23 -1.28 0.02 0.00 0.00 177.57 176.76 1bld h SER 78 N -0.20 -0.60 0.16 0.57 0.87 -1.85 -1.18 113.55 111.32 1bld h SER 78 Ca -0.00 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1bld h SER 78 Cb 0.01 0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1bld h SER 78 CO 0.00 -0.35 -0.05 0.00 -0.53 0.00 0.00 176.83 175.90 1bld h ALA 79 N 0.10 1.40 -6.30 6.23 0.00 -1.84 -3.46 119.26 115.39 1bld h ALA 79 Ca -0.02 -0.04 -0.46 0.00 0.00 0.00 0.00 54.91 54.39 1bld h ALA 79 Cb 0.47 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1bld h ALA 79 CO -0.01 0.06 -0.88 0.09 0.00 0.00 0.00 179.25 178.52 1bld n ASN 80 N -3.72 -1.48 -3.80 0.00 3.02 -0.45 -4.94 115.26 103.89 1bld n ASN 80 Ca -0.02 -0.94 -0.12 0.00 -0.03 0.00 0.00 54.58 53.46 1bld n ASN 80 Cb 0.15 -3.48 -0.09 0.00 -0.61 0.00 0.00 39.78 35.74 1bld n ASN 80 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1bld s ARG 81 N -6.23 0.57 -0.10 3.52 0.52 -1.20 -4.63 118.95 111.41 1bld s ARG 81 Ca 0.08 -0.23 -0.20 0.00 -0.52 0.00 0.00 55.73 54.87 1bld s ARG 81 Cb -0.03 0.25 -0.04 0.00 0.52 0.00 0.00 34.95 35.65 1bld s ARG 81 CO 0.86 -0.15 0.56 0.71 0.02 0.00 0.00 175.30 177.30 1bld s TYR 82 N -1.24 3.54 0.38 -0.53 1.51 0.17 -1.30 117.35 119.89 1bld s TYR 82 Ca -0.13 1.03 -0.27 0.00 -1.01 0.00 0.00 57.07 56.69 1bld s TYR 82 Cb -0.06 -2.64 -0.09 0.00 -0.11 0.00 0.00 41.96 39.05 1bld s TYR 82 CO 0.03 0.15 1.33 -1.17 -1.11 0.00 0.00 175.55 174.78 1bld s LEU 83 N 0.65 4.29 0.06 -1.29 2.96 -1.25 -2.41 118.68 121.69 1bld s LEU 83 Ca 0.30 2.73 -0.13 0.00 -0.22 0.00 0.00 54.13 56.80 1bld s LEU 83 Cb -0.16 -3.80 0.02 0.00 0.50 0.00 0.00 46.19 42.75 1bld s LEU 83 CO 0.13 -0.77 0.30 0.00 -1.32 0.00 0.00 176.35 174.69 1bld s ALA 84 N -1.21 -0.66 0.00 5.97 0.00 -0.36 -4.39 121.76 121.11 1bld s ALA 84 Ca 0.54 -0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.46 1bld s ALA 84 Cb -0.40 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 1bld s ALA 84 CO 0.52 -0.46 -0.10 1.41 0.00 0.00 0.00 175.76 177.14 1bld s MET 85 N -2.89 2.46 0.00 0.00 1.75 -1.22 -1.74 119.30 117.65 1bld s MET 85 Ca -0.03 -0.76 0.00 0.00 -1.25 0.00 0.00 55.69 53.65 1bld s MET 85 Cb 0.00 -2.43 0.00 0.00 2.84 0.00 0.00 34.83 35.24 1bld s MET 85 CO -0.05 0.59 0.00 1.63 -0.65 0.00 0.00 175.02 176.54 1bld n LYS 86 N 1.67 0.08 0.07 4.11 4.76 -0.47 -4.89 118.16 123.49 1bld n LYS 86 Ca -0.16 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.40 1bld n LYS 86 Cb 0.52 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.70 1bld n LYS 86 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1bld n GLU 87 N -0.93 0.56 -0.01 1.97 0.00 -1.26 -4.20 120.64 116.77 1bld n GLU 87 Ca 0.00 0.06 -0.19 0.00 0.00 0.00 0.00 57.16 57.02 1bld n GLU 87 Cb 0.00 -1.74 -0.14 0.00 0.00 0.00 0.00 31.44 29.56 1bld n GLU 87 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1bld n ASP 88 N -2.50 1.91 0.00 -1.84 5.68 -1.26 -4.97 116.55 113.57 1bld n ASP 88 Ca -0.00 0.21 0.00 0.00 -0.50 0.00 0.00 54.79 54.50 1bld n ASP 88 Cb 0.53 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 39.82 1bld n ASP 88 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bld n GLY 89 N 1.95 0.14 3.70 6.12 0.00 -1.26 -4.67 105.19 111.18 1bld n GLY 89 Ca -0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 4.31 0.01 1.61 0.52 -1.26 -4.42 118.95 119.71 1bld s ARG 90 Ca 0.00 2.01 -0.16 0.00 -0.52 0.00 0.00 55.73 57.06 1bld s ARG 90 Cb 0.00 -3.42 -0.06 0.00 0.52 0.00 0.00 34.95 31.99 1bld s ARG 90 CO 0.00 -0.50 0.46 -0.51 0.02 0.00 0.00 175.30 174.77 1bld s LEU 91 N 1.78 4.47 0.00 2.53 1.02 -1.26 -1.37 118.68 125.85 1bld s LEU 91 Ca 0.64 1.04 -0.02 0.00 0.02 0.00 0.00 54.13 55.81 1bld s LEU 91 Cb -0.34 -2.69 0.01 0.00 0.02 0.00 0.00 46.19 43.19 1bld s LEU 91 CO 0.28 0.28 0.32 0.00 0.02 0.00 0.00 176.35 177.26 1bld n LEU 92 N 1.97 0.00 -4.03 1.79 -0.00 -0.71 -4.49 117.00 111.53 1bld n LEU 92 Ca -0.12 -1.74 -0.08 0.00 -0.00 0.00 0.00 56.01 54.06 1bld n LEU 92 Cb 0.52 1.67 -0.10 0.00 -0.00 0.00 0.00 43.42 45.50 1bld n LEU 92 CO 0.39 -0.42 -0.35 0.00 -0.00 0.00 0.00 177.39 177.01 1bld s ALA 93 N -2.24 0.28 0.22 1.47 0.00 -1.25 -1.23 121.76 119.02 1bld s ALA 93 Ca 0.17 -0.87 -0.07 0.00 0.00 0.00 0.00 51.96 51.19 1bld s ALA 93 Cb -0.01 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 1bld s ALA 93 CO 0.12 -0.27 0.30 -1.54 0.00 0.00 0.00 175.76 174.37 1bld s SER 94 N -2.19 0.04 -0.02 0.00 1.04 -1.01 -4.87 113.70 106.68 1bld s SER 94 Ca -0.04 -1.17 -0.19 0.00 0.48 0.00 0.00 55.95 55.03 1bld s SER 94 Cb -0.01 0.48 -0.33 0.00 0.10 0.00 0.00 66.02 66.26 1bld s SER 94 CO -0.05 -0.98 0.92 0.11 0.98 0.00 0.00 173.24 174.21 1bld h LYS 95 N 2.44 0.41 -6.00 4.02 1.57 -1.89 0.48 116.57 117.61 1bld h LYS 95 Ca -0.31 -0.70 -0.57 0.00 -1.87 0.00 0.00 60.65 57.20 1bld h LYS 95 Cb 1.25 0.26 -0.06 0.00 0.08 0.00 0.00 32.23 33.76 1bld h LYS 95 CO 0.45 1.34 0.25 -1.54 -0.57 0.00 0.00 179.45 179.37 1bld s SER 96 N -7.26 6.98 -0.03 0.86 1.04 -1.26 -4.52 113.70 109.51 1bld s SER 96 Ca -0.12 1.20 -0.30 0.00 0.48 0.00 0.00 55.95 57.21 1bld s SER 96 Cb 0.02 -2.44 -0.06 0.00 0.10 0.00 0.00 66.02 63.64 1bld s SER 96 CO 0.88 -0.27 1.72 0.54 0.98 0.00 0.00 173.24 177.10 1bld s VAL 97 N 1.50 3.46 0.31 5.02 0.11 -1.26 -4.83 120.40 124.71 1bld s VAL 97 Ca 0.38 0.56 -0.00 0.00 -2.93 0.00 0.00 61.98 59.99 1bld s VAL 97 Cb -0.17 -3.36 0.06 0.00 -1.53 0.00 0.00 36.38 31.38 1bld s VAL 97 CO 0.16 -0.05 0.42 0.35 -3.33 0.00 0.00 175.10 172.65 1bld n THR 98 N 5.48 0.00 0.08 5.04 -2.24 -1.26 -5.01 114.28 116.37 1bld n THR 98 Ca 0.18 -0.66 -0.11 0.00 -2.27 0.00 0.00 64.05 61.19 1bld n THR 98 Cb 0.42 -1.18 -0.13 0.00 -2.10 0.00 0.00 70.33 67.34 1bld n THR 98 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1bld h ASP 99 N -0.26 0.17 0.00 3.42 3.58 -1.99 -3.14 116.42 118.19 1bld h ASP 99 Ca -0.14 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.13 1bld h ASP 99 Cb 0.52 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1bld h ASP 99 CO 0.15 1.14 0.00 -0.62 -2.88 0.00 0.00 179.24 177.03 1bld n GLU 100 N -3.42 0.74 -0.05 0.28 1.02 -1.26 -2.93 120.64 115.02 1bld n GLU 100 Ca -0.03 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.23 1bld n GLU 100 Cb 0.97 -1.24 0.31 0.00 -0.02 0.00 0.00 31.44 31.46 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 -1.87 3.51 -0.16 0.00 0.08 -1.15 -4.30 117.98 114.09 1bld s PHE 102 Ca 0.34 0.51 -0.04 0.00 0.12 0.00 0.00 56.93 57.86 1bld s PHE 102 Cb 0.20 -1.96 0.08 0.00 -0.57 0.00 0.00 43.02 40.77 1bld s PHE 102 CO 0.31 0.51 0.24 -0.06 -0.10 0.00 0.00 175.22 176.11 1bld s PHE 103 N -1.54 -0.35 -0.05 0.36 0.40 -1.24 -3.57 117.98 111.98 1bld s PHE 103 Ca 0.37 0.62 -0.29 0.00 -0.60 0.00 0.00 56.93 57.02 1bld s PHE 103 Cb -0.13 -0.20 -0.07 0.00 0.51 0.00 0.00 43.02 43.13 1bld s PHE 103 CO 0.23 -0.46 2.01 -0.06 0.70 0.00 0.00 175.22 177.65 1bld s PHE 104 N 2.37 1.30 0.38 0.36 0.08 0.99 -4.08 117.98 119.39 1bld s PHE 104 Ca 0.04 -0.12 -0.21 0.00 0.12 0.00 0.00 56.93 56.76 1bld s PHE 104 Cb -0.14 -4.14 -0.10 0.00 -0.57 0.00 0.00 43.02 38.08 1bld s PHE 104 CO -0.10 -4.99 0.91 -2.00 -0.10 0.00 0.00 175.22 168.93 1bld s GLU 105 N 4.99 4.29 -0.23 0.44 2.12 -1.23 -0.99 118.70 128.09 1bld s GLU 105 Ca 0.91 1.10 -0.03 0.00 0.36 0.00 0.00 54.97 57.30 1bld s GLU 105 Cb -0.39 -2.41 0.12 0.00 0.26 0.00 0.00 34.13 31.71 1bld s GLU 105 CO 0.39 0.10 0.30 0.50 -0.54 0.00 0.00 175.26 176.00 1bld s ARG 106 N -2.81 0.28 -0.25 4.30 3.52 -0.72 -4.93 118.95 118.34 1bld s ARG 106 Ca 0.57 0.32 -0.17 0.00 -0.13 0.00 0.00 55.73 56.32 1bld s ARG 106 Cb -0.12 -0.82 -0.03 0.00 -1.56 0.00 0.00 34.95 32.42 1bld s ARG 106 CO 0.17 -0.69 0.48 -1.17 -0.81 0.00 0.00 175.30 173.28 1bld s LEU 107 N 2.43 4.07 0.00 -0.88 0.20 -1.26 -2.07 118.68 121.18 1bld s LEU 107 Ca 0.10 0.51 -0.02 0.00 0.69 0.00 0.00 54.13 55.40 1bld s LEU 107 Cb -0.15 -2.62 0.13 0.00 -0.43 0.00 0.00 46.19 43.11 1bld s LEU 107 CO -0.16 -0.23 0.84 -0.62 -0.29 0.00 0.00 176.35 175.88 1bld n GLU 108 N 5.28 -0.15 -0.02 1.98 1.02 -1.17 -4.95 120.64 122.63 1bld n GLU 108 Ca -0.05 -2.05 0.11 0.00 -0.02 0.00 0.00 57.16 55.14 1bld n GLU 108 Cb 0.50 -0.62 0.58 0.00 -0.02 0.00 0.00 31.44 31.87 1bld n GLU 108 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1bld n SER 109 N -3.06 0.42 -1.19 1.62 3.41 -1.26 -3.43 113.62 110.14 1bld n SER 109 Ca 0.13 -1.42 0.04 0.00 -0.26 0.00 0.00 58.87 57.37 1bld n SER 109 Cb 0.46 -0.02 0.22 0.00 -0.26 0.00 0.00 64.21 64.61 1bld n SER 109 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bld n ASN 110 N -0.54 3.39 0.00 4.04 4.05 -1.26 -4.84 115.26 120.09 1bld n ASN 110 Ca 0.16 -2.43 0.00 0.00 0.45 0.00 0.00 54.58 52.77 1bld n ASN 110 Cb 0.14 -0.55 0.00 0.00 1.23 0.00 0.00 39.78 40.60 1bld n ASN 110 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1bld n ASN 111 N 0.41 0.00 -4.82 1.20 4.13 -1.22 -4.91 115.26 110.05 1bld n ASN 111 Ca 0.15 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.05 1bld n ASN 111 Cb 0.70 -2.38 -0.07 0.00 -1.54 0.00 0.00 39.78 36.50 1bld n ASN 111 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1bld s TYR 112 N -1.07 3.54 0.41 3.10 2.02 -1.26 -4.91 117.35 119.18 1bld s TYR 112 Ca 0.00 0.51 0.00 0.00 -0.37 0.00 0.00 57.07 57.22 1bld s TYR 112 Cb 0.00 -2.06 -0.02 0.00 -0.40 0.00 0.00 41.96 39.48 1bld s TYR 112 CO 0.00 0.56 0.62 -0.80 -1.57 0.00 0.00 175.55 174.36 1bld s ASN 113 N -0.51 6.03 -0.08 2.29 0.02 0.04 -3.05 114.94 119.68 1bld s ASN 113 Ca 0.14 0.35 -0.03 0.00 -1.02 0.00 0.00 52.86 52.30 1bld s ASN 113 Cb -0.12 -1.73 0.04 0.00 0.02 0.00 0.00 41.25 39.46 1bld s ASN 113 CO 0.03 -0.53 0.16 0.42 0.02 0.00 0.00 177.10 177.19 1bld s THR 114 N -2.46 -0.20 -0.44 1.60 -4.23 -0.88 -1.25 115.64 107.79 1bld s THR 114 Ca 0.45 0.31 -0.18 0.00 -1.18 0.00 0.00 61.69 61.08 1bld s THR 114 Cb -0.10 -0.28 0.03 0.00 1.34 0.00 0.00 72.50 73.49 1bld s THR 114 CO 0.37 0.13 0.51 -0.31 -0.54 0.00 0.00 174.62 174.78 1bld s TYR 115 N 1.98 3.13 0.17 3.99 2.02 -1.26 -1.76 117.35 125.62 1bld s TYR 115 Ca -0.00 -0.34 -0.08 0.00 -0.37 0.00 0.00 57.07 56.28 1bld s TYR 115 Cb -0.12 -3.11 -0.06 0.00 -0.40 0.00 0.00 41.96 38.27 1bld s TYR 115 CO -0.06 -0.80 0.45 0.50 -1.57 0.00 0.00 175.55 174.08 1bld s ARG 116 N 2.36 3.72 0.76 -0.62 3.52 -0.16 -2.56 118.95 125.97 1bld s ARG 116 Ca 0.15 0.10 -0.12 0.00 -0.13 0.00 0.00 55.73 55.74 1bld s ARG 116 Cb -0.17 -2.79 0.05 0.00 -1.56 0.00 0.00 34.95 30.48 1bld s ARG 116 CO 0.14 0.42 1.14 0.45 -0.81 0.00 0.00 175.30 176.65 1bld s SER 117 N -2.30 4.90 0.00 -2.12 0.15 -1.06 -0.01 113.70 113.26 1bld s SER 117 Ca 0.42 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.99 1bld s SER 117 Cb -0.12 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.65 1bld s SER 117 CO 0.22 -1.66 0.00 -1.14 1.20 0.00 0.00 173.24 171.86 1bld n ARG 118 N -3.18 0.00 0.11 5.44 0.63 -1.23 -3.45 116.66 114.98 1bld n ARG 118 Ca 0.08 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 57.04 1bld n ARG 118 Cb 0.59 -0.05 0.18 0.00 0.45 0.00 0.00 32.46 33.64 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 -0.34 0.05 -2.86 -0.14 4.81 -1.26 -0.62 118.16 117.79 1bld n LYS 119 Ca 0.00 0.44 -0.23 0.00 -0.87 0.00 0.00 58.31 57.65 1bld n LYS 119 Cb 0.00 -2.04 -0.02 0.00 0.02 0.00 0.00 35.03 32.99 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 -1.73 2.81 0.33 5.64 4.01 -1.26 -4.87 117.16 122.08 1bld n TYR 120 Ca -0.00 -3.65 0.20 0.00 -0.16 0.00 0.00 57.90 54.29 1bld n TYR 120 Cb 0.39 -0.37 1.07 0.00 -0.31 0.00 0.00 39.34 40.12 1bld n TYR 120 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1bld h THR 121 N 2.47 0.00 -0.28 -0.72 1.35 -0.89 0.16 112.91 115.00 1bld h THR 121 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.00 1bld h THR 121 Cb 0.76 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1bld h THR 121 CO 0.73 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.80 1bld n SER 122 N -2.98 3.28 -4.00 5.36 7.64 -1.26 -4.77 113.62 116.88 1bld n SER 122 Ca -0.03 -2.45 -0.09 0.00 1.01 0.00 0.00 58.87 57.32 1bld n SER 122 Cb 0.16 -0.59 -0.11 0.00 -1.01 0.00 0.00 64.21 62.67 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 -1.85 0.33 0.09 1.43 0.51 0.55 -4.92 118.94 115.08 1bld s TRP 123 Ca 0.26 -0.63 0.05 0.00 -2.12 0.00 0.00 56.10 53.66 1bld s TRP 123 Cb 0.20 -0.24 -0.03 0.00 -0.81 0.00 0.00 33.47 32.59 1bld s TRP 123 CO 0.08 -0.22 -0.12 0.71 -0.51 0.00 0.00 176.95 176.88 1bld s TYR 124 N -1.92 1.16 0.17 -1.98 1.51 -1.26 -2.57 117.35 112.46 1bld s TYR 124 Ca -0.11 -0.54 -0.30 0.00 -1.01 0.00 0.00 57.07 55.11 1bld s TYR 124 Cb -0.07 -0.64 -0.07 0.00 -0.11 0.00 0.00 41.96 41.07 1bld s TYR 124 CO -0.03 0.05 1.08 0.08 -1.11 0.00 0.00 175.55 175.62 1bld s VAL 125 N -1.81 3.93 0.32 0.71 1.01 -1.06 -4.93 120.40 118.57 1bld s VAL 125 Ca 0.02 1.67 -0.07 0.00 0.00 0.00 0.00 61.98 63.60 1bld s VAL 125 Cb -0.07 -4.07 0.03 0.00 0.00 0.00 0.00 36.38 32.27 1bld s VAL 125 CO 0.02 0.29 0.55 0.00 0.00 0.00 0.00 175.10 175.96 1bld n ALA 126 N 2.36 -0.90 -2.24 5.51 0.00 -1.26 -4.68 120.51 119.30 1bld n ALA 126 Ca 0.02 -1.26 -0.10 0.00 0.00 0.00 0.00 53.44 52.11 1bld n ALA 126 Cb 0.46 1.01 -0.10 0.00 0.00 0.00 0.00 19.45 20.83 1bld n ALA 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bld s LEU 127 N 0.00 1.58 0.72 0.00 1.43 -1.26 -3.89 118.68 117.25 1bld s LEU 127 Ca 0.20 -1.18 -0.03 0.00 -1.03 0.00 0.00 54.13 52.08 1bld s LEU 127 Cb -0.03 0.44 0.11 0.00 0.03 0.00 0.00 46.19 46.74 1bld s LEU 127 CO 0.14 -0.77 1.00 -0.54 0.23 0.00 0.00 176.35 176.41 1bld s LYS 128 N -4.05 1.78 0.09 1.70 -0.14 0.24 -4.57 119.74 114.79 1bld s LYS 128 Ca 0.25 -0.86 0.25 0.00 -1.36 0.00 0.00 55.97 54.26 1bld s LYS 128 Cb 0.07 -2.28 0.53 0.00 -1.68 0.00 0.00 37.83 34.47 1bld s LYS 128 CO 0.03 -1.40 1.46 2.89 -0.76 0.00 0.00 175.35 177.57 1bld n ARG 129 N -2.87 0.18 -0.03 1.68 1.85 -1.26 -3.44 116.66 112.78 1bld n ARG 129 Ca 0.13 0.07 0.13 0.00 -1.00 0.00 0.00 57.85 57.18 1bld n ARG 129 Cb 0.60 -1.63 0.38 0.00 -1.05 0.00 0.00 32.46 30.76 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 -1.91 0.07 -0.32 8.89 5.66 -1.26 -4.89 114.28 120.52 1bld n THR 130 Ca 0.04 -0.36 0.00 0.00 -3.05 0.00 0.00 64.05 60.68 1bld n THR 130 Cb 0.40 0.76 0.00 0.00 -1.55 0.00 0.00 70.33 69.94 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 1.23 0.80 3.96 1.09 0.00 -1.22 -5.04 105.19 106.00 1bld n GLY 131 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.68 2.88 -0.23 1.61 -1.52 -1.26 -2.66 119.66 117.80 1bld s GLN 132 Ca 0.00 -0.54 -0.26 0.00 -1.95 0.00 0.00 55.36 52.61 1bld s GLN 132 Cb 0.00 -2.51 -0.00 0.00 -0.22 0.00 0.00 33.01 30.28 1bld s GLN 132 CO 0.00 -0.45 0.90 1.52 -0.25 0.00 0.00 175.29 177.01 1bld s TYR 133 N -2.66 3.33 0.25 0.91 1.13 -1.26 -0.59 117.35 118.45 1bld s TYR 133 Ca 0.52 1.26 -0.30 0.00 -1.41 0.00 0.00 57.07 57.14 1bld s TYR 133 Cb -0.10 -3.12 -0.09 0.00 -1.10 0.00 0.00 41.96 37.54 1bld s TYR 133 CO 0.39 -0.42 1.21 0.21 -2.51 0.00 0.00 175.55 174.43 1bld s LYS 134 N 2.92 4.49 0.00 -3.49 2.20 -1.25 -4.77 119.74 119.84 1bld s LYS 134 Ca 0.38 1.95 0.00 0.00 -0.36 0.00 0.00 55.97 57.95 1bld s LYS 134 Cb -0.15 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 1bld s LYS 134 CO 0.07 -0.05 0.00 -0.11 -0.36 0.00 0.00 175.35 174.91 1bld n LEU 135 N 1.79 0.00 0.00 5.43 7.94 -1.26 -4.78 117.00 126.12 1bld n LEU 135 Ca 0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 1bld n LEU 135 Cb 0.44 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.39 1bld n LEU 135 CO 0.56 -0.14 -0.31 0.61 -1.11 0.00 0.00 177.39 177.01 1bld n GLY 136 N 0.41 0.00 0.42 -3.96 0.00 -1.26 -4.50 105.19 96.30 1bld n GLY 136 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.26 1bld n GLY 136 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bld h SER 137 N 0.00 0.00 0.98 1.61 4.64 -1.95 0.35 113.55 119.17 1bld h SER 137 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bld h SER 137 Cb 0.61 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1bld h SER 137 CO 0.00 0.00 -1.02 0.29 -0.87 0.00 0.00 176.83 175.23 1bld n LYS 138 N -4.31 0.61 -2.24 4.77 4.01 -1.26 -4.87 118.16 114.85 1bld n LYS 138 Ca 0.14 0.12 -0.41 0.00 -0.51 0.00 0.00 58.31 57.65 1bld n LYS 138 Cb 0.78 -1.82 -0.03 0.00 -0.51 0.00 0.00 35.03 33.44 1bld n LYS 138 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1bld s THR 139 N -3.36 3.16 0.00 -0.18 -4.23 0.12 -4.96 115.64 106.18 1bld s THR 139 Ca -0.01 1.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.54 1bld s THR 139 Cb 0.10 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.28 1bld s THR 139 CO 0.79 0.19 0.00 0.61 -0.54 0.00 0.00 174.62 175.67 1bld n GLY 140 N 1.78 -1.04 3.71 3.99 0.00 -1.26 -4.76 105.19 107.61 1bld n GLY 140 Ca 0.03 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 1bld n GLY 140 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bld s PRO 141 N -2.00 1.98 0.00 1.61 0.01 -1.26 -2.96 135.00 132.39 1bld s PRO 141 Ca 0.00 1.84 0.00 0.00 0.01 0.00 0.00 61.00 62.85 1bld s PRO 141 Cb 0.00 -1.81 0.00 0.00 0.01 0.00 0.00 34.50 32.70 1bld s PRO 141 CO 0.00 -1.97 0.00 0.41 0.01 0.00 0.00 177.00 175.45 1bld n GLY 142 N 0.58 3.19 3.72 0.52 0.00 -1.26 -5.02 105.19 106.93 1bld n GLY 142 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.48 4.31 0.00 1.61 -0.21 -1.15 -4.93 119.66 118.81 1bld s GLN 143 Ca 0.00 0.36 0.22 0.00 0.02 0.00 0.00 55.36 55.96 1bld s GLN 143 Cb 0.00 -3.44 1.04 0.00 1.00 0.00 0.00 33.01 31.61 1bld s GLN 143 CO 0.00 0.16 1.72 1.63 -2.12 0.00 0.00 175.29 176.68 1bld n LYS 144 N 3.71 0.17 0.00 2.91 5.02 -1.26 -3.26 118.16 125.44 1bld n LYS 144 Ca -0.08 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1bld n LYS 144 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 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 -1.39 1.21 0.09 7.82 0.00 -1.26 -0.01 120.51 126.97 1bld n ALA 145 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.64 1bld n ALA 145 Cb 0.22 -0.91 0.26 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.11 0.67 -3.33 0.00 -5.35 -1.20 -4.46 119.36 104.58 1bld n ILE 146 Ca 0.00 -0.83 -0.43 0.00 -0.27 0.00 0.00 62.75 61.22 1bld n ILE 146 Cb 0.02 0.82 -0.09 0.00 -1.74 0.00 0.00 39.64 38.64 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 -1.33 4.86 0.33 7.28 1.43 0.98 -4.24 118.68 128.00 1bld s LEU 147 Ca 0.43 -0.67 0.10 0.00 -1.03 0.00 0.00 54.13 52.95 1bld s LEU 147 Cb 0.24 -2.38 -0.06 0.00 0.03 0.00 0.00 46.19 44.02 1bld s LEU 147 CO 0.32 -0.57 -0.10 -0.36 0.23 0.00 0.00 176.35 175.88 1bld s PHE 148 N 2.11 2.41 -0.40 0.29 0.40 -0.38 -3.45 117.98 118.96 1bld s PHE 148 Ca 0.12 -0.44 0.08 0.00 -0.60 0.00 0.00 56.93 56.08 1bld s PHE 148 Cb -0.17 -1.31 0.24 0.00 0.51 0.00 0.00 43.02 42.29 1bld s PHE 148 CO 0.13 0.60 0.53 -0.11 0.70 0.00 0.00 175.22 177.07 1bld n LEU 149 N -0.79 -0.11 -4.60 -0.37 7.94 -0.81 -0.78 117.00 117.48 1bld n LEU 149 Ca -0.05 -4.56 -0.43 0.00 -1.11 0.00 0.00 56.01 49.86 1bld n LEU 149 Cb 0.62 0.65 -0.03 0.00 0.53 0.00 0.00 43.42 45.19 1bld n LEU 149 CO 0.42 2.05 1.71 -2.84 -1.11 0.00 0.00 177.39 177.62 1bld s PRO 150 N -0.94 3.16 -0.21 1.96 0.02 -1.26 -3.81 135.00 133.93 1bld s PRO 150 Ca 0.35 1.70 -0.14 0.00 0.02 0.00 0.00 61.00 62.92 1bld s PRO 150 Cb 0.16 -4.30 -0.04 0.00 0.02 0.00 0.00 34.50 30.34 1bld s PRO 150 CO -0.13 -2.06 0.33 -1.64 -0.33 0.00 0.00 177.00 173.17 1bld s MET 151 N 6.14 4.16 0.36 5.54 -1.94 -0.95 -4.89 119.30 127.71 1bld s MET 151 Ca 0.90 0.08 -0.27 0.00 -1.71 0.00 0.00 55.69 54.68 1bld s MET 151 Cb -0.27 -3.53 -0.09 0.00 2.01 0.00 0.00 34.83 32.95 1bld s MET 151 CO 0.34 0.01 1.24 0.45 -0.01 0.00 0.00 175.02 177.05 1bld s SER 152 N 0.99 6.69 -1.01 3.03 0.15 -1.26 -2.15 113.70 120.13 1bld s SER 152 Ca 0.16 2.53 -0.04 0.00 0.70 0.00 0.00 55.95 59.30 1bld s SER 152 Cb -0.14 -2.63 0.17 0.00 -1.71 0.00 0.00 66.02 61.71 1bld s SER 152 CO 0.07 -0.57 2.32 0.00 1.20 0.00 0.00 173.24 176.25 1bld n ALA 153 N 0.54 6.54 0.34 5.45 0.00 -0.82 -4.75 120.51 127.80 1bld n ALA 153 Ca 0.02 -3.97 -0.18 0.00 0.00 0.00 0.00 53.44 49.31 1bld n ALA 153 Cb 0.44 -2.42 -0.09 0.00 0.00 0.00 0.00 19.45 17.37 1bld n ALA 153 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1bld h LYS 154 N 3.98 -1.01 0.00 0.00 1.79 -1.91 -3.45 116.57 115.97 1bld h LYS 154 Ca 0.58 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 59.12 1bld h LYS 154 Cb 0.37 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1bld h LYS 154 CO 1.27 -0.67 0.00 0.45 -1.08 0.00 0.00 179.45 179.42