#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 -0.75 -0.40 3.17 0.00 -1.26 -5.09 121.76 117.43 1bld s ALA 2 Ca 0.00 -0.11 -0.28 0.00 0.00 0.00 0.00 51.96 51.56 1bld s ALA 2 Cb 0.00 -1.91 -0.08 0.00 0.00 0.00 0.00 23.12 21.13 1bld s ALA 2 CO 0.00 -1.73 2.33 0.39 0.00 0.00 0.00 175.76 176.75 1bld n GLU 3 N 5.33 1.34 0.00 0.00 -0.58 -1.26 -4.93 120.64 120.53 1bld n GLU 3 Ca -0.01 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1bld n GLU 3 Cb 0.47 -3.13 0.00 0.00 -0.57 0.00 0.00 31.44 28.21 1bld n GLU 3 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bld n GLY 4 N 6.02 -1.21 0.00 0.62 0.00 -1.26 -4.93 105.19 104.43 1bld n GLY 4 Ca 0.37 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1bld n GLY 4 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1bld n GLU 5 N 0.00 0.00 -2.23 1.61 4.07 -1.26 -4.72 120.64 118.11 1bld n GLU 5 Ca 0.00 0.16 -0.27 0.00 -0.06 0.00 0.00 57.16 56.99 1bld n GLU 5 Cb 0.00 -1.00 0.04 0.00 -0.06 0.00 0.00 31.44 30.42 1bld n GLU 5 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1bld s ILE 6 N -1.01 3.27 0.32 6.31 1.01 -1.26 -4.98 121.20 124.86 1bld s ILE 6 Ca 0.00 0.04 -0.26 0.00 0.00 0.00 0.00 60.65 60.43 1bld s ILE 6 Cb 0.00 -3.35 -0.14 0.00 0.01 0.00 0.00 42.46 38.99 1bld s ILE 6 CO 0.00 -0.38 0.81 0.35 0.00 0.00 0.00 174.94 175.71 1bld n THR 7 N -2.77 1.98 0.84 2.92 -2.24 -1.26 -4.74 114.28 109.01 1bld n THR 7 Ca 0.06 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1bld n THR 7 Cb 0.58 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 1bld n THR 7 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1bld n THR 8 N -0.16 0.00 -3.40 4.28 5.66 -1.26 -4.77 114.28 114.64 1bld n THR 8 Ca 0.11 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.81 1bld n THR 8 Cb 0.33 -0.27 -0.04 0.00 -1.55 0.00 0.00 70.33 68.80 1bld n THR 8 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1bld s LEU 9 N -0.32 4.12 0.00 1.09 1.43 -1.26 -5.07 118.68 118.66 1bld s LEU 9 Ca 0.00 0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 53.78 1bld s LEU 9 Cb 0.00 -3.57 0.16 0.00 0.03 0.00 0.00 46.19 42.81 1bld s LEU 9 CO 0.00 -0.12 0.37 -2.65 0.23 0.00 0.00 176.35 174.18 1bld n PRO 10 N -0.53 -2.57 -3.59 1.29 -0.01 -1.26 -5.06 135.00 123.27 1bld n PRO 10 Ca -0.01 -0.62 -0.08 0.00 -0.01 0.00 0.00 63.50 62.78 1bld n PRO 10 Cb 0.53 -0.90 -0.04 0.00 -0.01 0.00 0.00 33.50 33.08 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 -2.05 -1.97 -0.39 3.55 0.00 -1.26 -5.08 121.76 114.57 1bld s ALA 11 Ca 0.29 1.60 0.09 0.00 0.00 0.00 0.00 51.96 53.93 1bld s ALA 11 Cb -0.05 -0.72 0.27 0.00 0.00 0.00 0.00 23.12 22.61 1bld s ALA 11 CO 0.24 -0.35 0.55 1.28 0.00 0.00 0.00 175.76 177.48 1bld n LEU 12 N 0.53 0.28 0.00 0.00 4.77 -1.26 -5.08 117.00 116.24 1bld n LEU 12 Ca -0.07 -4.74 -0.06 0.00 -0.03 0.00 0.00 56.01 51.11 1bld n LEU 12 Cb 0.58 0.65 0.05 0.00 -2.33 0.00 0.00 43.42 42.37 1bld n LEU 12 CO 0.13 2.10 0.08 -0.81 -1.33 0.00 0.00 177.39 177.57 1bld n PRO 13 N 1.24 -2.16 -2.74 3.23 -0.05 -1.26 -4.72 135.00 128.53 1bld n PRO 13 Ca 0.22 -0.30 -0.02 0.00 -0.05 0.00 0.00 63.50 63.35 1bld n PRO 13 Cb 0.55 -0.34 -0.02 0.00 -0.05 0.00 0.00 33.50 33.64 1bld n PRO 13 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 1bld n GLU 14 N -2.52 -3.51 0.17 0.54 1.02 -1.26 -4.84 120.64 110.24 1bld n GLU 14 Ca 0.03 2.79 0.02 0.00 -0.02 0.00 0.00 57.16 59.98 1bld n GLU 14 Cb 0.11 -4.73 0.36 0.00 -0.02 0.00 0.00 31.44 27.16 1bld n GLU 14 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1bld h ASP 15 N 3.54 0.05 0.00 1.62 3.58 -2.07 -3.48 116.42 119.66 1bld h ASP 15 Ca -0.18 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.25 1bld h ASP 15 Cb 0.50 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1bld h ASP 15 CO 0.06 0.38 0.00 0.61 -2.88 0.00 0.00 179.24 177.41 1bld n GLY 16 N -0.54 0.25 1.89 -0.78 0.00 -1.26 -5.15 105.19 99.61 1bld n GLY 16 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 -2.31 2.38 -0.02 0.00 -1.26 -4.84 105.19 99.15 1bld n GLY 17 Ca 0.00 -1.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.00 1bld n GLY 17 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bld n SER 18 N 0.17 -0.64 0.00 1.61 2.88 -1.26 -4.90 113.62 111.49 1bld n SER 18 Ca 0.00 -3.06 0.00 0.00 -1.33 0.00 0.00 58.87 54.48 1bld n SER 18 Cb 0.00 0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1bld n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bld n GLY 19 N 0.98 0.00 1.56 0.46 0.00 -1.26 -5.02 105.19 101.92 1bld n GLY 19 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 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 3.72 -0.03 4.61 0.00 -1.26 -4.34 120.51 123.20 1bld n ALA 20 Ca 0.00 -1.49 -0.15 0.00 0.00 0.00 0.00 53.44 51.80 1bld n ALA 20 Cb 0.00 -1.13 -0.12 0.00 0.00 0.00 0.00 19.45 18.19 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 2.45 0.16 -3.77 0.00 0.04 -1.97 -3.46 116.94 110.37 1bld h PHE 21 Ca 0.08 -0.10 -0.46 0.00 2.80 0.00 0.00 57.97 60.30 1bld h PHE 21 Cb 1.70 -0.01 0.17 0.00 2.20 0.00 0.00 35.95 40.01 1bld h PHE 21 CO 0.85 0.97 0.16 -1.25 -0.60 0.00 0.00 178.31 178.44 1bld s PRO 22 N -2.73 0.26 0.25 1.51 0.05 -1.26 -4.92 135.00 128.15 1bld s PRO 22 Ca -0.17 0.71 -0.31 0.00 0.05 0.00 0.00 61.00 61.28 1bld s PRO 22 Cb -0.01 -1.70 -0.12 0.00 0.05 0.00 0.00 34.50 32.72 1bld s PRO 22 CO 0.72 -2.90 1.56 -2.30 0.05 0.00 0.00 177.00 174.14 1bld n PRO 23 N -4.32 2.46 0.00 0.56 -0.01 -1.26 -4.82 135.00 127.61 1bld n PRO 23 Ca 0.05 0.88 0.00 0.00 -0.01 0.00 0.00 63.50 64.42 1bld n PRO 23 Cb 0.56 -2.64 0.00 0.00 -0.01 0.00 0.00 33.50 31.41 1bld n PRO 23 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1bld n GLY 24 N 2.62 -0.10 1.22 -1.23 0.00 -1.26 -4.96 105.19 101.48 1bld n GLY 24 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1bld n GLY 24 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bld n HIS 25 N -2.06 0.00 0.87 1.61 1.44 -1.26 -4.88 115.22 110.94 1bld n HIS 25 Ca 0.00 -0.43 0.00 0.00 -2.01 0.00 0.00 57.72 55.28 1bld n HIS 25 Cb 0.00 0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.18 1bld n HIS 25 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1bld n PHE 26 N 0.29 0.00 -0.25 -1.40 3.01 -1.26 -3.59 117.46 114.25 1bld n PHE 26 Ca -0.05 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.28 1bld n PHE 26 Cb 0.95 -0.04 0.09 0.00 -0.01 0.00 0.00 39.48 40.47 1bld n PHE 26 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1bld n LYS 27 N -0.08 1.69 -3.78 -1.08 5.02 -1.26 -4.56 118.16 114.12 1bld n LYS 27 Ca 0.00 -1.63 -0.12 0.00 -2.02 0.00 0.00 58.31 54.54 1bld n LYS 27 Cb 0.10 -1.64 -0.08 0.00 -0.02 0.00 0.00 35.03 33.39 1bld n LYS 27 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bld s ASP 28 N -0.22 -0.13 1.22 4.39 1.01 -1.24 -5.11 116.67 116.59 1bld s ASP 28 Ca 0.31 -0.08 -0.16 0.00 0.71 0.00 0.00 52.55 53.33 1bld s ASP 28 Cb 0.26 0.32 0.26 0.00 1.01 0.00 0.00 42.92 44.77 1bld s ASP 28 CO 0.05 -0.51 0.71 -0.81 0.21 0.00 0.00 175.17 174.82 1bld n PRO 29 N 0.98 -2.72 -3.75 8.23 -0.04 -1.26 -4.44 135.00 132.01 1bld n PRO 29 Ca -0.20 -0.78 -0.13 0.00 -0.04 0.00 0.00 63.50 62.35 1bld n PRO 29 Cb 0.57 -1.98 -0.11 0.00 -0.04 0.00 0.00 33.50 31.95 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 -4.19 0.41 -0.36 0.54 1.02 -0.88 -3.80 119.74 112.48 1bld s LYS 30 Ca 0.64 0.51 -0.19 0.00 0.02 0.00 0.00 55.97 56.95 1bld s LYS 30 Cb -0.20 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.30 1bld s LYS 30 CO 0.63 -0.06 0.55 1.03 -0.92 0.00 0.00 175.35 176.58 1bld s ARG 31 N 0.26 3.60 -0.94 1.68 0.52 -1.00 -3.74 118.95 119.33 1bld s ARG 31 Ca -0.01 -0.14 -0.21 0.00 -0.52 0.00 0.00 55.73 54.86 1bld s ARG 31 Cb -0.03 -3.82 0.09 0.00 0.52 0.00 0.00 34.95 31.71 1bld s ARG 31 CO -0.00 -0.69 1.26 -0.51 0.02 0.00 0.00 175.30 175.37 1bld s LEU 32 N 2.48 4.27 -0.14 2.53 1.43 -1.26 -2.08 118.68 125.90 1bld s LEU 32 Ca 0.20 -1.64 -0.24 0.00 -1.03 0.00 0.00 54.13 51.42 1bld s LEU 32 Cb -0.15 -2.48 -0.02 0.00 0.03 0.00 0.00 46.19 43.57 1bld s LEU 32 CO 0.14 -1.31 0.74 -0.47 0.23 0.00 0.00 176.35 175.67 1bld s TYR 33 N 3.89 3.46 -0.20 0.29 5.04 -1.23 -2.99 117.35 125.61 1bld s TYR 33 Ca 0.37 1.17 -0.20 0.00 -2.44 0.00 0.00 57.07 55.97 1bld s TYR 33 Cb -0.04 -2.90 -0.03 0.00 0.35 0.00 0.00 41.96 39.35 1bld s TYR 33 CO -0.07 -0.12 0.61 0.00 -1.34 0.00 0.00 175.55 174.62 1bld n LYS 35 N 4.98 0.21 -2.83 0.00 4.81 -1.19 -2.26 118.16 121.87 1bld n LYS 35 Ca -0.02 0.36 -0.43 0.00 -0.87 0.00 0.00 58.31 57.36 1bld n LYS 35 Cb 0.50 -1.85 -0.04 0.00 0.02 0.00 0.00 35.03 33.66 1bld n LYS 35 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1bld s ASN 36 N -4.28 6.32 0.00 3.14 0.02 -1.26 -3.71 114.94 115.17 1bld s ASN 36 Ca 0.06 -0.41 0.00 0.00 -1.02 0.00 0.00 52.86 51.48 1bld s ASN 36 Cb 0.10 -2.44 0.00 0.00 0.02 0.00 0.00 41.25 38.93 1bld s ASN 36 CO 0.44 -1.27 0.00 0.61 0.02 0.00 0.00 177.10 176.90 1bld n GLY 37 N 5.15 0.53 3.20 0.66 0.00 -1.26 -4.12 105.19 109.34 1bld n GLY 37 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.07 -0.81 2.98 -0.02 0.00 -1.13 -5.01 105.19 99.14 1bld n GLY 38 Ca 0.00 1.07 -0.18 0.00 0.00 0.00 0.00 46.02 46.91 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 -2.32 0.68 0.29 1.61 0.08 -0.96 -4.80 117.98 112.56 1bld s PHE 39 Ca 0.24 -0.14 0.01 0.00 0.12 0.00 0.00 56.93 57.16 1bld s PHE 39 Cb -0.04 -0.47 -0.03 0.00 -0.57 0.00 0.00 43.02 41.90 1bld s PHE 39 CO 0.82 -0.04 0.46 -0.06 -0.10 0.00 0.00 175.22 176.30 1bld s PHE 40 N 0.02 3.48 0.13 0.36 0.40 -0.99 -0.20 117.98 121.18 1bld s PHE 40 Ca 0.00 0.24 -0.24 0.00 -0.60 0.00 0.00 56.93 56.34 1bld s PHE 40 Cb -0.05 -1.79 -0.07 0.00 0.51 0.00 0.00 43.02 41.61 1bld s PHE 40 CO -0.00 0.27 0.73 -1.17 0.70 0.00 0.00 175.22 175.75 1bld s LEU 41 N -4.01 4.56 -0.20 -0.37 2.96 -1.16 -1.61 118.68 118.86 1bld s LEU 41 Ca 0.38 1.54 -0.04 0.00 -0.22 0.00 0.00 54.13 55.79 1bld s LEU 41 Cb -0.10 -3.21 0.09 0.00 0.50 0.00 0.00 46.19 43.48 1bld s LEU 41 CO 0.32 0.20 0.25 -0.60 -1.32 0.00 0.00 176.35 175.20 1bld s ARG 42 N -0.98 0.21 -0.04 1.98 3.52 0.08 -4.52 118.95 119.20 1bld s ARG 42 Ca 0.35 0.34 -0.20 0.00 -0.13 0.00 0.00 55.73 56.09 1bld s ARG 42 Cb -0.22 -0.90 -0.05 0.00 -1.56 0.00 0.00 34.95 32.22 1bld s ARG 42 CO 0.24 -0.59 0.56 0.42 -0.81 0.00 0.00 175.30 175.12 1bld s ILE 43 N 2.37 5.00 0.26 4.11 1.01 -1.26 -2.41 121.20 130.28 1bld s ILE 43 Ca 0.07 1.15 -0.12 0.00 0.00 0.00 0.00 60.65 61.75 1bld s ILE 43 Cb -0.15 -3.89 -0.08 0.00 0.01 0.00 0.00 42.46 38.35 1bld s ILE 43 CO -0.12 0.40 0.62 -1.00 0.00 0.00 0.00 174.94 174.83 1bld s HIS 44 N -0.01 3.42 0.62 3.97 3.76 -0.58 -4.78 115.29 121.69 1bld s HIS 44 Ca 0.30 1.01 0.35 0.00 -0.15 0.00 0.00 55.06 56.57 1bld s HIS 44 Cb -0.17 -2.36 2.06 0.00 1.11 0.00 0.00 32.58 33.21 1bld s HIS 44 CO 0.15 0.22 2.30 -1.00 -0.85 0.00 0.00 174.74 175.56 1bld h PRO 45 N 2.51 0.00 0.00 8.40 0.13 -1.91 0.33 132.00 141.46 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 0.68 0.00 0.00 0.38 -0.23 0.00 0.00 178.00 178.83 1bld h ASP 46 N 0.00 0.00 0.00 1.44 3.04 -1.97 -3.47 116.42 115.46 1bld h ASP 46 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1bld h ASP 46 Cb 0.01 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.30 1bld h ASP 46 CO -0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 1bld n GLY 47 N 1.24 2.38 3.54 7.15 0.00 0.10 -4.97 105.19 114.63 1bld n GLY 47 Ca 0.05 -0.80 -0.57 0.00 0.00 0.00 0.00 46.02 44.70 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 0.77 -3.72 1.61 1.74 -1.26 -4.03 116.66 111.78 1bld n ARG 48 Ca 0.00 0.25 -0.35 0.00 -0.77 0.00 0.00 57.85 56.98 1bld n ARG 48 Cb 0.00 -2.02 -0.08 0.00 -1.02 0.00 0.00 32.46 29.33 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 5.16 5.38 0.00 1.55 1.01 -1.26 -1.53 120.40 130.70 1bld s VAL 49 Ca 1.07 0.18 0.00 0.00 0.00 0.00 0.00 61.98 63.23 1bld s VAL 49 Cb -1.14 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 31.77 1bld s VAL 49 CO 0.62 0.41 0.00 -0.90 0.00 0.00 0.00 175.10 175.24 1bld n ASP 50 N 3.74 0.00 -3.94 3.32 5.68 -1.01 -4.44 116.55 119.90 1bld n ASP 50 Ca -0.16 0.00 -0.09 0.00 -0.50 0.00 0.00 54.79 54.04 1bld n ASP 50 Cb 0.52 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.43 1bld n ASP 50 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1bld s GLY 51 N 0.00 0.39 0.04 6.12 0.00 -0.99 -0.74 107.32 112.14 1bld s GLY 51 Ca 0.00 -0.84 -0.12 0.00 0.00 0.00 0.00 44.72 43.76 1bld s GLY 51 CO 0.00 -0.86 0.25 -1.34 0.00 0.00 0.00 173.10 171.15 1bld s VAL 52 N -3.94 0.09 -0.75 1.40 -7.23 -0.64 -4.79 120.40 104.55 1bld s VAL 52 Ca 0.14 -0.76 0.26 0.00 -1.81 0.00 0.00 61.98 59.81 1bld s VAL 52 Cb 0.04 -0.90 0.25 0.00 0.56 0.00 0.00 36.38 36.34 1bld s VAL 52 CO -0.03 -0.42 1.73 0.54 -0.31 0.00 0.00 175.10 176.61 1bld n ARG 53 N 0.68 0.24 -2.51 4.82 5.12 -1.26 -2.34 116.66 121.41 1bld n ARG 53 Ca -0.19 0.18 -0.40 0.00 -1.93 0.00 0.00 57.85 55.51 1bld n ARG 53 Cb 0.59 -1.76 -0.03 0.00 -1.16 0.00 0.00 32.46 30.10 1bld n ARG 53 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1bld s GLU 54 N -3.10 3.57 -0.02 5.56 0.41 -1.26 -4.76 118.70 119.10 1bld s GLU 54 Ca 0.10 -1.25 0.02 0.00 -0.41 0.00 0.00 54.97 53.43 1bld s GLU 54 Cb 0.13 -5.37 0.08 0.00 -1.78 0.00 0.00 34.13 27.19 1bld s GLU 54 CO 0.61 -2.36 0.72 0.36 -0.49 0.00 0.00 175.26 174.10 1bld n LYS 55 N 8.77 1.35 -0.12 1.61 -0.00 -1.26 -3.33 118.16 125.17 1bld n LYS 55 Ca 0.37 -0.31 0.12 0.00 -0.00 0.00 0.00 58.31 58.49 1bld n LYS 55 Cb 0.49 -1.47 0.17 0.00 -0.00 0.00 0.00 35.03 34.23 1bld n LYS 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1bld n SER 56 N -0.01 3.27 -4.76 -5.58 3.41 -1.26 -4.92 113.62 103.77 1bld n SER 56 Ca 0.03 -1.98 -0.38 0.00 -0.26 0.00 0.00 58.87 56.28 1bld n SER 56 Cb 0.28 -0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 64.01 1bld n SER 56 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bld s ASP 57 N -1.63 6.70 0.00 4.04 1.11 -1.21 -4.82 116.67 120.87 1bld s ASP 57 Ca 0.34 0.84 0.03 0.00 0.18 0.00 0.00 52.55 53.93 1bld s ASP 57 Cb 0.21 -2.26 0.13 0.00 1.07 0.00 0.00 42.92 42.08 1bld s ASP 57 CO 0.30 0.13 0.82 -0.81 1.18 0.00 0.00 175.17 176.80 1bld n PRO 58 N 2.97 0.05 0.02 8.23 -0.04 -1.26 -1.66 135.00 143.31 1bld n PRO 58 Ca -0.10 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 1bld n PRO 58 Cb 0.52 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.94 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 -1.21 0.17 1.12 0.54 8.25 -1.26 -2.36 115.22 120.48 1bld n HIS 59 Ca 0.01 0.06 0.13 0.00 -0.26 0.00 0.00 57.72 57.66 1bld n HIS 59 Cb 0.02 -0.60 0.34 0.00 1.12 0.00 0.00 29.99 30.87 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 -1.65 0.00 -2.56 1.59 -5.35 -0.67 -4.33 119.36 106.39 1bld n ILE 60 Ca 0.05 -0.05 -0.41 0.00 -0.27 0.00 0.00 62.75 62.07 1bld n ILE 60 Cb 0.27 0.25 -0.03 0.00 -1.74 0.00 0.00 39.64 38.38 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 -2.78 3.58 -0.03 6.28 -0.14 -0.99 -4.61 119.74 121.05 1bld s LYS 61 Ca 0.17 -1.11 -0.18 0.00 -1.36 0.00 0.00 55.97 53.49 1bld s LYS 61 Cb 0.18 -5.34 -0.05 0.00 -1.68 0.00 0.00 37.83 30.94 1bld s LYS 61 CO 0.61 -2.21 0.51 -0.51 -0.76 0.00 0.00 175.35 172.99 1bld s LEU 62 N 4.99 4.40 -0.54 3.17 1.43 -1.25 -3.77 118.68 127.11 1bld s LEU 62 Ca 0.46 1.02 -0.22 0.00 -1.03 0.00 0.00 54.13 54.36 1bld s LEU 62 Cb -0.00 -2.77 0.05 0.00 0.03 0.00 0.00 46.19 43.50 1bld s LEU 62 CO -0.10 0.14 0.81 -1.58 0.23 0.00 0.00 176.35 175.86 1bld s GLN 63 N -0.26 3.22 0.32 1.70 0.74 0.18 -2.08 119.66 123.48 1bld s GLN 63 Ca 0.27 -0.61 -0.09 0.00 0.05 0.00 0.00 55.36 54.99 1bld s GLN 63 Cb -0.17 -4.09 -0.06 0.00 1.10 0.00 0.00 33.01 29.78 1bld s GLN 63 CO 0.14 -1.41 0.65 -0.51 -0.55 0.00 0.00 175.29 173.61 1bld s LEU 64 N 3.38 4.00 -0.08 3.68 1.02 -1.26 -1.27 118.68 128.15 1bld s LEU 64 Ca 0.23 0.96 -0.04 0.00 0.02 0.00 0.00 54.13 55.30 1bld s LEU 64 Cb -0.16 -3.79 0.04 0.00 0.02 0.00 0.00 46.19 42.30 1bld s LEU 64 CO 0.15 -0.25 0.18 -1.58 0.02 0.00 0.00 176.35 174.87 1bld s GLN 65 N -3.46 0.11 -0.19 1.70 0.74 -0.26 -4.73 119.66 113.57 1bld s GLN 65 Ca 0.48 0.48 -0.29 0.00 0.05 0.00 0.00 55.36 56.08 1bld s GLN 65 Cb -0.11 -0.17 0.00 0.00 1.10 0.00 0.00 33.01 33.83 1bld s GLN 65 CO 0.27 -0.21 1.03 0.00 -0.55 0.00 0.00 175.29 175.84 1bld s ALA 66 N 1.55 3.59 -0.12 1.58 0.00 -1.26 -0.13 121.76 126.97 1bld s ALA 66 Ca -0.06 0.25 0.16 0.00 0.00 0.00 0.00 51.96 52.31 1bld s ALA 66 Cb -0.11 -3.51 -0.24 0.00 0.00 0.00 0.00 23.12 19.26 1bld s ALA 66 CO -0.07 -0.89 0.40 -1.91 0.00 0.00 0.00 175.76 173.29 1bld n GLU 67 N 5.86 0.66 -1.10 0.00 2.13 -0.96 -4.92 120.64 122.31 1bld n GLU 67 Ca 0.11 0.14 0.00 0.00 0.66 0.00 0.00 57.16 58.07 1bld n GLU 67 Cb 0.47 -1.66 0.00 0.00 0.27 0.00 0.00 31.44 30.52 1bld n GLU 67 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1bld n GLU 68 N -2.87 0.00 0.00 5.31 2.13 -1.20 -4.96 120.64 119.04 1bld n GLU 68 Ca -0.23 0.00 0.15 0.00 0.66 0.00 0.00 57.16 57.74 1bld n GLU 68 Cb 1.07 0.00 0.82 0.00 0.27 0.00 0.00 31.44 33.60 1bld n GLU 68 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1bld n ARG 69 N 0.00 1.07 -1.19 5.31 1.74 -1.26 -3.74 116.66 118.59 1bld n ARG 69 Ca 0.00 -0.21 -0.01 0.00 -0.77 0.00 0.00 57.85 56.86 1bld n ARG 69 Cb 0.00 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 29.93 1bld n ARG 69 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bld n GLY 70 N 1.08 0.77 3.10 -0.13 0.00 -1.26 -4.80 105.19 103.95 1bld n GLY 70 Ca 0.22 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 0.04 -0.08 1.61 1.01 -1.25 -4.48 120.40 117.26 1bld s VAL 71 Ca 0.17 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 1bld s VAL 71 Cb 0.19 -0.37 0.04 0.00 0.00 0.00 0.00 36.38 36.24 1bld s VAL 71 CO -0.08 -0.19 0.15 0.68 0.00 0.00 0.00 175.10 175.66 1bld s VAL 72 N -0.66 -0.21 -0.22 2.92 -7.23 -1.25 -2.27 120.40 111.48 1bld s VAL 72 Ca -0.07 0.34 -0.17 0.00 -1.81 0.00 0.00 61.98 60.26 1bld s VAL 72 Cb -0.04 -0.27 -0.03 0.00 0.56 0.00 0.00 36.38 36.59 1bld s VAL 72 CO 0.01 0.14 0.46 -0.44 -0.31 0.00 0.00 175.10 174.96 1bld s SER 73 N 2.09 6.46 0.17 4.85 0.01 0.82 -4.19 113.70 123.91 1bld s SER 73 Ca 0.01 0.54 -0.11 0.00 1.31 0.00 0.00 55.95 57.70 1bld s SER 73 Cb -0.12 -2.26 -0.07 0.00 0.21 0.00 0.00 66.02 63.78 1bld s SER 73 CO -0.05 -0.16 0.52 -0.63 0.41 0.00 0.00 173.24 173.32 1bld s ILE 74 N 1.69 4.94 -0.09 1.44 1.01 -1.26 -1.10 121.20 127.83 1bld s ILE 74 Ca 0.21 0.57 -0.05 0.00 0.00 0.00 0.00 60.65 61.37 1bld s ILE 74 Cb -0.15 -3.66 0.04 0.00 0.01 0.00 0.00 42.46 38.69 1bld s ILE 74 CO 0.09 0.10 0.22 -0.75 0.00 0.00 0.00 174.94 174.60 1bld s LYS 75 N -2.36 0.19 0.15 2.79 2.20 -0.40 -3.84 119.74 118.47 1bld s LYS 75 Ca 0.41 0.44 -0.28 0.00 -0.36 0.00 0.00 55.97 56.19 1bld s LYS 75 Cb -0.13 -0.07 -0.07 0.00 -1.51 0.00 0.00 37.83 36.05 1bld s LYS 75 CO 0.20 -0.13 0.87 0.20 -0.36 0.00 0.00 175.35 176.14 1bld s GLY 76 N 0.96 2.98 -0.04 5.54 0.00 -0.45 0.48 107.32 116.79 1bld s GLY 76 Ca -0.07 0.49 -0.01 0.00 0.00 0.00 0.00 44.72 45.13 1bld s GLY 76 CO -0.06 1.16 0.08 -2.08 0.00 0.00 0.00 173.10 172.20 1bld h VAL 77 N 3.59 0.00 -0.02 1.40 2.07 -1.90 -1.50 116.25 119.90 1bld h VAL 77 Ca -0.45 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 1bld h VAL 77 Cb 1.21 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1bld h VAL 77 CO 0.69 0.00 0.01 -1.28 0.02 0.00 0.00 177.57 177.01 1bld h SER 78 N -0.42 0.02 0.47 0.57 0.87 -1.84 -2.08 113.55 111.14 1bld h SER 78 Ca -0.00 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 1bld h SER 78 Cb 0.03 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1bld h SER 78 CO 0.01 0.18 -0.04 0.00 -0.53 0.00 0.00 176.83 176.45 1bld h ALA 79 N 0.84 1.09 -6.61 6.23 0.00 -1.87 -3.46 119.26 115.48 1bld h ALA 79 Ca 0.01 -0.04 -0.53 0.00 0.00 0.00 0.00 54.91 54.35 1bld h ALA 79 Cb 0.17 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.82 1bld h ALA 79 CO -0.00 0.05 -0.86 0.09 0.00 0.00 0.00 179.25 178.53 1bld n ASN 80 N -3.26 -1.88 -3.92 0.00 5.03 -0.57 -4.92 115.26 105.73 1bld n ASN 80 Ca -0.01 -1.00 -0.10 0.00 0.87 0.00 0.00 54.58 54.33 1bld n ASN 80 Cb 0.20 -2.93 -0.12 0.00 -1.02 0.00 0.00 39.78 35.92 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 -6.75 0.25 0.01 3.52 0.52 -1.22 -4.65 118.95 110.63 1bld s ARG 81 Ca 0.37 -0.37 -0.19 0.00 -0.52 0.00 0.00 55.73 55.02 1bld s ARG 81 Cb -0.20 0.10 -0.06 0.00 0.52 0.00 0.00 34.95 35.31 1bld s ARG 81 CO 0.91 -0.05 0.55 0.71 0.02 0.00 0.00 175.30 177.44 1bld s TYR 82 N -0.98 3.71 0.60 -0.53 1.51 0.17 -1.34 117.35 120.49 1bld s TYR 82 Ca -0.11 1.17 -0.19 0.00 -1.01 0.00 0.00 57.07 56.93 1bld s TYR 82 Cb -0.07 -2.53 -0.03 0.00 -0.11 0.00 0.00 41.96 39.23 1bld s TYR 82 CO -0.00 0.45 1.26 -1.17 -1.11 0.00 0.00 175.55 174.98 1bld s LEU 83 N -0.53 3.68 -0.15 -1.29 2.96 -1.25 -1.91 118.68 120.20 1bld s LEU 83 Ca 0.29 2.53 -0.08 0.00 -0.22 0.00 0.00 54.13 56.65 1bld s LEU 83 Cb -0.18 -4.53 0.06 0.00 0.50 0.00 0.00 46.19 42.03 1bld s LEU 83 CO 0.17 -1.70 0.35 0.00 -1.32 0.00 0.00 176.35 173.85 1bld s ALA 84 N -1.47 -0.86 -0.15 5.97 0.00 0.29 -4.53 121.76 121.00 1bld s ALA 84 Ca 0.78 1.32 -0.13 0.00 0.00 0.00 0.00 51.96 53.93 1bld s ALA 84 Cb -0.34 -0.85 -0.05 0.00 0.00 0.00 0.00 23.12 21.88 1bld s ALA 84 CO 0.38 -0.27 0.28 1.41 0.00 0.00 0.00 175.76 177.56 1bld s MET 85 N 1.44 4.21 0.55 0.00 1.75 -1.09 -1.74 119.30 124.42 1bld s MET 85 Ca -0.09 0.08 -0.09 0.00 -1.25 0.00 0.00 55.69 54.34 1bld s MET 85 Cb -0.09 -3.41 0.13 0.00 2.84 0.00 0.00 34.83 34.30 1bld s MET 85 CO -0.11 0.28 0.72 1.63 -0.65 0.00 0.00 175.02 176.89 1bld n LYS 86 N 3.44 -0.88 0.03 4.11 4.76 -1.00 -4.89 118.16 123.74 1bld n LYS 86 Ca -0.12 -1.11 0.04 0.00 -2.87 0.00 0.00 58.31 54.25 1bld n LYS 86 Cb 0.52 -0.77 -0.08 0.00 -1.84 0.00 0.00 35.03 32.86 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 -2.64 0.63 0.10 1.97 -0.00 -1.26 -4.22 120.64 115.22 1bld n GLU 87 Ca 0.09 0.10 -0.24 0.00 -0.00 0.00 0.00 57.16 57.11 1bld n GLU 87 Cb 0.32 -1.74 -0.15 0.00 -0.00 0.00 0.00 31.44 29.87 1bld n GLU 87 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 1bld h ASP 88 N 0.00 0.71 0.00 -1.84 3.04 -2.00 -3.48 116.42 112.85 1bld h ASP 88 Ca -0.12 -0.93 0.00 0.00 -3.24 0.00 0.00 57.03 52.74 1bld h ASP 88 Cb 1.37 -0.23 0.00 0.00 -1.04 0.00 0.00 39.33 39.43 1bld h ASP 88 CO 0.02 1.74 0.00 0.61 -2.04 0.00 0.00 179.24 179.57 1bld n GLY 89 N 1.79 0.15 3.66 7.15 0.00 -1.26 -4.44 105.19 112.24 1bld n GLY 89 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 4.25 -0.04 1.61 0.52 -1.26 -2.25 118.95 121.78 1bld s ARG 90 Ca 0.00 1.64 -0.16 0.00 -0.52 0.00 0.00 55.73 56.69 1bld s ARG 90 Cb 0.00 -3.73 -0.05 0.00 0.52 0.00 0.00 34.95 31.68 1bld s ARG 90 CO 0.00 -0.67 0.45 -0.51 0.02 0.00 0.00 175.30 174.59 1bld s LEU 91 N 3.33 4.41 0.00 2.53 1.02 -1.26 -2.37 118.68 126.34 1bld s LEU 91 Ca 0.54 0.94 -0.00 0.00 0.02 0.00 0.00 54.13 55.63 1bld s LEU 91 Cb -0.22 -2.65 0.00 0.00 0.02 0.00 0.00 46.19 43.34 1bld s LEU 91 CO 0.15 0.20 0.09 0.00 0.02 0.00 0.00 176.35 176.81 1bld n LEU 92 N 2.48 0.00 -4.15 1.79 -0.00 -0.71 -4.31 117.00 112.10 1bld n LEU 92 Ca -0.11 -0.57 -0.10 0.00 -0.00 0.00 0.00 56.01 55.23 1bld n LEU 92 Cb 0.52 0.47 -0.10 0.00 -0.00 0.00 0.00 43.42 44.31 1bld n LEU 92 CO 0.40 -0.12 -0.31 0.00 -0.00 0.00 0.00 177.39 177.35 1bld s ALA 93 N -1.89 0.89 0.24 1.47 0.00 -1.26 -0.55 121.76 120.66 1bld s ALA 93 Ca 0.06 -1.45 -0.11 0.00 0.00 0.00 0.00 51.96 50.46 1bld s ALA 93 Cb -0.00 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 1bld s ALA 93 CO 0.04 -0.44 0.42 -1.12 0.00 0.00 0.00 175.76 174.67 1bld s SER 94 N -3.05 -0.05 -0.11 0.00 0.01 -0.80 -4.89 113.70 104.81 1bld s SER 94 Ca 0.21 -1.00 -0.22 0.00 1.31 0.00 0.00 55.95 56.25 1bld s SER 94 Cb 0.07 0.55 -0.27 0.00 0.21 0.00 0.00 66.02 66.58 1bld s SER 94 CO 0.00 -1.09 0.68 0.11 0.41 0.00 0.00 173.24 173.35 1bld h LYS 95 N 2.31 0.18 -5.31 12.44 1.57 -1.88 0.48 116.57 126.35 1bld h LYS 95 Ca -0.28 -0.31 -0.64 0.00 -1.87 0.00 0.00 60.65 57.56 1bld h LYS 95 Cb 1.25 0.11 -0.14 0.00 0.08 0.00 0.00 32.23 33.53 1bld h LYS 95 CO 0.38 1.15 -0.00 0.45 -0.57 0.00 0.00 179.45 180.85 1bld s SER 96 N -6.81 6.36 1.05 0.86 0.15 -1.26 -4.55 113.70 109.50 1bld s SER 96 Ca -0.19 0.13 -0.16 0.00 0.70 0.00 0.00 55.95 56.44 1bld s SER 96 Cb 0.02 -2.28 0.07 0.00 -1.71 0.00 0.00 66.02 62.12 1bld s SER 96 CO 0.75 -0.46 0.17 0.55 1.20 0.00 0.00 173.24 175.45 1bld n VAL 97 N 5.40 0.00 -3.79 4.45 3.14 -1.26 -4.96 118.33 121.31 1bld n VAL 97 Ca -0.04 -0.25 -0.05 0.00 -2.96 0.00 0.00 64.34 61.04 1bld n VAL 97 Cb 0.49 -0.60 -0.01 0.00 -1.06 0.00 0.00 33.84 32.65 1bld n VAL 97 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1bld n THR 98 N -4.05 0.00 0.20 1.55 -2.24 -1.26 -5.02 114.28 103.46 1bld n THR 98 Ca 0.03 -0.60 0.07 0.00 -2.27 0.00 0.00 64.05 61.28 1bld n THR 98 Cb 0.58 0.35 0.40 0.00 -2.10 0.00 0.00 70.33 69.57 1bld n THR 98 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1bld h ASP 99 N 0.63 0.00 -1.38 3.42 3.04 -2.01 -3.25 116.42 116.87 1bld h ASP 99 Ca -0.08 0.00 -0.74 0.00 -3.24 0.00 0.00 57.03 52.97 1bld h ASP 99 Cb 0.38 0.00 -0.16 0.00 -1.04 0.00 0.00 39.33 38.51 1bld h ASP 99 CO 0.12 0.31 1.98 -0.62 -2.04 0.00 0.00 179.24 178.99 1bld n GLU 100 N -3.54 4.60 -0.01 4.15 1.02 -1.26 -4.07 120.64 121.53 1bld n GLU 100 Ca -0.00 -3.63 0.00 0.00 -0.02 0.00 0.00 57.16 53.50 1bld n GLU 100 Cb 0.46 -2.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.32 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 0.00 3.47 -0.19 0.00 0.08 -1.26 -4.59 117.98 115.49 1bld s PHE 102 Ca 0.00 0.53 -0.05 0.00 0.12 0.00 0.00 56.93 57.53 1bld s PHE 102 Cb 0.00 -2.00 0.10 0.00 -0.57 0.00 0.00 43.02 40.55 1bld s PHE 102 CO 0.00 0.36 0.35 -0.06 -0.10 0.00 0.00 175.22 175.77 1bld s PHE 103 N -1.81 -0.67 0.06 0.36 0.40 -1.26 -3.59 117.98 111.47 1bld s PHE 103 Ca 0.41 1.10 -0.31 0.00 -0.60 0.00 0.00 56.93 57.54 1bld s PHE 103 Cb -0.11 0.09 -0.07 0.00 0.51 0.00 0.00 43.02 43.44 1bld s PHE 103 CO 0.27 -0.52 1.42 -0.06 0.70 0.00 0.00 175.22 177.03 1bld s PHE 104 N 2.52 2.99 -0.71 0.36 0.08 -0.41 -3.95 117.98 118.86 1bld s PHE 104 Ca 0.04 0.83 -0.19 0.00 0.12 0.00 0.00 56.93 57.72 1bld s PHE 104 Cb -0.13 -3.70 0.12 0.00 -0.57 0.00 0.00 43.02 38.73 1bld s PHE 104 CO -0.12 -2.57 0.85 -2.00 -0.10 0.00 0.00 175.22 171.28 1bld s GLU 105 N 1.82 3.25 -0.36 0.44 2.12 -1.26 -1.04 118.70 123.66 1bld s GLU 105 Ca 0.65 -1.48 -0.20 0.00 0.36 0.00 0.00 54.97 54.31 1bld s GLU 105 Cb -0.35 -4.43 0.00 0.00 0.26 0.00 0.00 34.13 29.61 1bld s GLU 105 CO 0.29 -1.61 0.59 0.50 -0.54 0.00 0.00 175.26 174.49 1bld s ARG 106 N 2.63 3.62 -0.08 4.30 3.52 -0.16 -4.88 118.95 127.89 1bld s ARG 106 Ca 0.19 -0.07 -0.25 0.00 -0.13 0.00 0.00 55.73 55.48 1bld s ARG 106 Cb -0.17 -3.82 -0.03 0.00 -1.56 0.00 0.00 34.95 29.37 1bld s ARG 106 CO 0.01 -0.73 0.77 -1.17 -0.81 0.00 0.00 175.30 173.37 1bld s LEU 107 N 2.60 4.29 0.00 -0.88 2.96 -1.26 -1.82 118.68 124.57 1bld s LEU 107 Ca 0.22 1.25 -0.01 0.00 -0.22 0.00 0.00 54.13 55.37 1bld s LEU 107 Cb -0.15 -3.18 0.11 0.00 0.50 0.00 0.00 46.19 43.47 1bld s LEU 107 CO 0.15 -0.20 0.78 -0.62 -1.32 0.00 0.00 176.35 175.14 1bld n GLU 108 N 4.12 -0.00 -1.31 1.98 -0.58 -1.03 -4.97 120.64 118.85 1bld n GLU 108 Ca 0.01 -2.05 -0.26 0.00 -0.42 0.00 0.00 57.16 54.44 1bld n GLU 108 Cb 0.51 -0.54 0.01 0.00 -0.57 0.00 0.00 31.44 30.84 1bld n GLU 108 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1bld n SER 109 N -2.97 6.77 -1.21 1.62 3.41 -1.26 -4.05 113.62 115.93 1bld n SER 109 Ca 0.13 -3.31 0.00 0.00 -0.26 0.00 0.00 58.87 55.43 1bld n SER 109 Cb 0.45 -1.12 -0.01 0.00 -0.26 0.00 0.00 64.21 63.27 1bld n SER 109 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1bld n ASN 110 N 0.28 0.27 0.00 4.04 3.02 -1.26 -4.95 115.26 116.66 1bld n ASN 110 Ca 0.45 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.05 1bld n ASN 110 Cb 0.54 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 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 0.28 0.00 -4.74 6.41 4.13 -1.26 -4.91 115.26 115.18 1bld n ASN 111 Ca -0.05 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.85 1bld n ASN 111 Cb 0.94 -2.46 -0.07 0.00 -1.54 0.00 0.00 39.78 36.65 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 -1.04 3.47 0.54 3.10 2.02 -1.26 -4.91 117.35 119.28 1bld s TYR 112 Ca 0.00 0.58 0.00 0.00 -0.37 0.00 0.00 57.07 57.29 1bld s TYR 112 Cb 0.00 -2.30 0.03 0.00 -0.40 0.00 0.00 41.96 39.28 1bld s TYR 112 CO 0.00 0.28 0.77 -0.80 -1.57 0.00 0.00 175.55 174.24 1bld s ASN 113 N 0.32 5.37 -0.12 2.29 -0.87 -1.00 -2.47 114.94 118.46 1bld s ASN 113 Ca 0.16 0.10 -0.04 0.00 -1.57 0.00 0.00 52.86 51.50 1bld s ASN 113 Cb -0.13 -1.04 0.06 0.00 -0.02 0.00 0.00 41.25 40.12 1bld s ASN 113 CO 0.04 -1.08 0.23 0.42 -2.57 0.00 0.00 177.10 174.14 1bld s THR 114 N -2.76 -0.37 -0.50 1.60 -4.23 -0.76 -2.36 115.64 106.27 1bld s THR 114 Ca 0.56 0.29 -0.20 0.00 -1.18 0.00 0.00 61.69 61.16 1bld s THR 114 Cb -0.10 -0.41 0.05 0.00 1.34 0.00 0.00 72.50 73.38 1bld s THR 114 CO 0.39 0.11 0.65 -0.31 -0.54 0.00 0.00 174.62 174.93 1bld s TYR 115 N 2.38 3.03 0.11 3.99 2.02 -1.26 -0.99 117.35 126.63 1bld s TYR 115 Ca 0.02 -0.41 -0.09 0.00 -0.37 0.00 0.00 57.07 56.22 1bld s TYR 115 Cb -0.12 -3.55 -0.06 0.00 -0.40 0.00 0.00 41.96 37.83 1bld s TYR 115 CO -0.08 -1.03 0.42 0.50 -1.57 0.00 0.00 175.55 173.79 1bld s ARG 116 N 2.78 3.75 0.55 -0.62 3.52 -0.21 -2.30 118.95 126.43 1bld s ARG 116 Ca 0.18 0.15 -0.18 0.00 -0.13 0.00 0.00 55.73 55.75 1bld s ARG 116 Cb -0.18 -2.93 -0.05 0.00 -1.56 0.00 0.00 34.95 30.23 1bld s ARG 116 CO 0.14 0.51 1.08 0.45 -0.81 0.00 0.00 175.30 176.68 1bld s SER 117 N -1.94 5.83 0.00 -2.12 0.15 -1.04 -1.29 113.70 113.28 1bld s SER 117 Ca 0.36 2.00 0.00 0.00 0.70 0.00 0.00 55.95 59.01 1bld s SER 117 Cb -0.13 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1bld s SER 117 CO 0.20 -1.14 0.00 -1.14 1.20 0.00 0.00 173.24 172.36 1bld n ARG 118 N -1.52 0.00 0.00 5.44 0.63 -1.24 -2.77 116.66 117.21 1bld n ARG 118 Ca 0.10 0.11 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 1bld n ARG 118 Cb 0.52 -0.47 0.00 0.00 0.45 0.00 0.00 32.46 32.96 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 -1.67 0.00 -3.12 -0.14 4.81 -1.26 -1.95 118.16 114.83 1bld n LYS 119 Ca 0.00 0.28 -0.19 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 -1.28 -0.51 0.21 5.64 4.01 -1.26 -4.92 117.16 119.05 1bld n TYR 120 Ca 0.00 -3.45 0.01 0.00 -0.16 0.00 0.00 57.90 54.31 1bld n TYR 120 Cb 0.22 -0.08 0.08 0.00 -0.31 0.00 0.00 39.34 39.25 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 0.76 0.00 0.71 -0.72 -2.24 -0.82 -1.57 114.28 110.40 1bld n THR 121 Ca 0.21 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.05 1bld n THR 121 Cb 0.62 -0.86 0.17 0.00 -2.10 0.00 0.00 70.33 68.16 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 -0.91 2.18 -3.69 3.42 7.64 -1.26 -4.84 113.62 116.16 1bld n SER 122 Ca 0.02 -2.06 -0.14 0.00 1.01 0.00 0.00 58.87 57.70 1bld n SER 122 Cb 0.01 -0.30 -0.09 0.00 -1.01 0.00 0.00 64.21 62.83 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 -1.55 -0.59 0.34 1.43 0.51 -0.61 -4.92 118.94 113.55 1bld s TRP 123 Ca 0.25 1.41 0.07 0.00 -2.12 0.00 0.00 56.10 55.72 1bld s TRP 123 Cb 0.14 0.21 -0.03 0.00 -0.81 0.00 0.00 33.47 32.98 1bld s TRP 123 CO 0.16 -0.30 0.30 0.71 -0.51 0.00 0.00 176.95 177.31 1bld s TYR 124 N 0.20 2.88 -0.26 -1.98 1.51 -1.26 -2.49 117.35 115.96 1bld s TYR 124 Ca -0.01 -0.32 -0.19 0.00 -1.01 0.00 0.00 57.07 55.55 1bld s TYR 124 Cb -0.04 -1.82 -0.02 0.00 -0.11 0.00 0.00 41.96 39.97 1bld s TYR 124 CO 0.01 0.17 0.56 0.08 -1.11 0.00 0.00 175.55 175.25 1bld s VAL 125 N -2.32 5.04 -0.05 0.71 1.01 -0.97 -4.70 120.40 119.11 1bld s VAL 125 Ca 0.41 0.96 -0.15 0.00 0.00 0.00 0.00 61.98 63.20 1bld s VAL 125 Cb -0.06 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.49 1bld s VAL 125 CO 0.27 0.06 0.35 0.00 0.00 0.00 0.00 175.10 175.78 1bld s ALA 126 N 2.38 -0.90 0.64 5.51 0.00 -1.26 -4.63 121.76 123.51 1bld s ALA 126 Ca 0.23 0.60 0.05 0.00 0.00 0.00 0.00 51.96 52.84 1bld s ALA 126 Cb -0.16 -0.13 0.11 0.00 0.00 0.00 0.00 23.12 22.95 1bld s ALA 126 CO 0.09 -0.24 0.88 -0.51 0.00 0.00 0.00 175.76 175.98 1bld s LEU 127 N -0.89 3.05 0.00 0.00 1.43 -1.26 -2.95 118.68 118.06 1bld s LEU 127 Ca -0.10 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 1bld s LEU 127 Cb -0.04 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.42 1bld s LEU 127 CO 0.04 -1.58 0.00 0.29 0.23 0.00 0.00 176.35 175.33 1bld n LYS 128 N -2.50 0.87 0.02 1.70 5.02 0.51 -4.47 118.16 119.32 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 0.04 0.00 -0.02 0.00 0.00 35.03 35.66 1bld n LYS 128 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1bld n ARG 129 N -0.95 0.24 -0.21 1.97 1.74 -1.26 -3.84 116.66 114.37 1bld n ARG 129 Ca 0.00 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.17 1bld n ARG 129 Cb 0.00 -1.58 0.24 0.00 -1.02 0.00 0.00 32.46 30.10 1bld n ARG 129 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1bld n THR 130 N -1.90 0.54 -0.68 0.55 5.66 -1.26 -4.87 114.28 112.32 1bld n THR 130 Ca 0.02 -0.59 0.00 0.00 -3.05 0.00 0.00 64.05 60.43 1bld n THR 130 Cb 0.42 0.40 0.00 0.00 -1.55 0.00 0.00 70.33 69.60 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 1.26 0.77 3.97 1.09 0.00 -1.25 -5.04 105.19 105.99 1bld n GLY 131 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.32 2.03 -0.26 1.61 -1.52 -1.26 -2.34 119.66 117.60 1bld s GLN 132 Ca 0.00 -0.73 -0.17 0.00 -1.95 0.00 0.00 55.36 52.50 1bld s GLN 132 Cb 0.00 -2.31 -0.03 0.00 -0.22 0.00 0.00 33.01 30.45 1bld s GLN 132 CO 0.00 -1.21 0.49 1.52 -0.25 0.00 0.00 175.29 175.84 1bld s TYR 133 N -3.09 3.27 0.14 0.91 1.13 -1.26 -0.36 117.35 118.08 1bld s TYR 133 Ca 0.62 0.61 -0.31 0.00 -1.41 0.00 0.00 57.07 56.59 1bld s TYR 133 Cb -0.08 -2.69 -0.08 0.00 -1.10 0.00 0.00 41.96 38.00 1bld s TYR 133 CO 0.43 -0.26 1.34 0.21 -2.51 0.00 0.00 175.55 174.76 1bld s LYS 134 N 2.22 4.36 0.14 -3.49 2.20 -1.15 -4.77 119.74 119.25 1bld s LYS 134 Ca 0.20 2.03 -0.34 0.00 -0.36 0.00 0.00 55.97 57.50 1bld s LYS 134 Cb -0.16 -3.24 -0.16 0.00 -1.51 0.00 0.00 37.83 32.76 1bld s LYS 134 CO 0.09 -0.35 1.18 -0.11 -0.36 0.00 0.00 175.35 175.80 1bld n LEU 135 N 3.50 1.32 0.00 5.43 7.94 -1.26 -4.71 117.00 129.22 1bld n LEU 135 Ca 0.09 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.13 1bld n LEU 135 Cb 0.43 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.21 1bld n LEU 135 CO 0.58 -1.35 0.30 0.61 -1.11 0.00 0.00 177.39 176.41 1bld n GLY 136 N 2.10 -0.11 0.08 -3.96 0.00 -0.95 -2.31 105.19 100.04 1bld n GLY 136 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.09 1.85 0.00 1.61 3.41 -1.26 -4.05 113.62 114.08 1bld n SER 137 Ca 0.00 0.53 0.01 0.00 -0.26 0.00 0.00 58.87 59.14 1bld n SER 137 Cb 0.01 -0.87 0.04 0.00 -0.26 0.00 0.00 64.21 63.13 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 -4.53 0.01 -1.52 4.33 5.02 -0.98 -4.66 118.16 115.83 1bld n LYS 138 Ca -0.16 0.39 -0.32 0.00 -2.02 0.00 0.00 58.31 56.20 1bld n LYS 138 Cb 0.43 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 34.00 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 -2.82 3.47 0.00 -0.18 -4.23 -1.10 -5.00 115.64 105.77 1bld s THR 139 Ca 0.01 0.55 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 1bld s THR 139 Cb 0.01 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1bld s THR 139 CO 0.03 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 1bld n GLY 140 N -1.13 -0.84 3.35 3.99 0.00 -1.26 -4.65 105.19 104.65 1bld n GLY 140 Ca 0.09 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.99 -2.41 0.00 1.61 0.04 -1.26 -3.66 135.00 127.32 1bld s PRO 141 Ca 0.00 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1bld s PRO 141 Cb 0.00 -1.42 0.00 0.00 0.04 0.00 0.00 34.50 33.12 1bld s PRO 141 CO 0.00 -4.59 0.00 0.41 0.04 0.00 0.00 177.00 172.86 1bld n GLY 142 N 1.31 1.74 3.74 0.56 0.00 -1.26 -4.94 105.19 106.34 1bld n GLY 142 Ca 0.09 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 4.27 0.00 1.61 -1.52 -1.24 -4.87 119.66 117.91 1bld s GLN 143 Ca 0.00 2.29 0.22 0.00 -1.95 0.00 0.00 55.36 55.92 1bld s GLN 143 Cb 0.00 -3.12 1.02 0.00 -0.22 0.00 0.00 33.01 30.70 1bld s GLN 143 CO 0.00 -0.42 1.69 1.63 -0.25 0.00 0.00 175.29 177.94 1bld n LYS 144 N 2.39 1.37 0.01 2.91 5.02 -1.26 -3.76 118.16 124.84 1bld n LYS 144 Ca 0.07 -0.55 0.04 0.00 -2.02 0.00 0.00 58.31 55.85 1bld n LYS 144 Cb 0.40 -1.37 0.20 0.00 -0.02 0.00 0.00 35.03 34.24 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 -0.25 1.34 1.21 7.82 0.00 -1.26 -1.01 120.51 128.36 1bld n ALA 145 Ca 0.16 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.72 1bld n ALA 145 Cb 0.21 -1.14 0.36 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.57 0.00 -2.72 0.00 -5.35 -1.25 -4.35 119.36 104.13 1bld n ILE 146 Ca 0.02 -0.11 -0.42 0.00 -0.27 0.00 0.00 62.75 61.96 1bld n ILE 146 Cb 0.09 0.38 -0.02 0.00 -1.74 0.00 0.00 39.64 38.35 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 -2.57 4.18 0.52 7.28 1.43 -0.18 -4.18 118.68 125.16 1bld s LEU 147 Ca 0.22 -1.90 0.01 0.00 -1.03 0.00 0.00 54.13 51.43 1bld s LEU 147 Cb 0.19 -2.50 0.02 0.00 0.03 0.00 0.00 46.19 43.93 1bld s LEU 147 CO 0.55 -1.26 0.74 -0.36 0.23 0.00 0.00 176.35 176.25 1bld s PHE 148 N 3.85 3.01 -0.39 0.29 0.40 -0.99 -3.17 117.98 120.97 1bld s PHE 148 Ca 0.42 0.10 0.08 0.00 -0.60 0.00 0.00 56.93 56.93 1bld s PHE 148 Cb -0.01 -2.60 0.24 0.00 0.51 0.00 0.00 43.02 41.17 1bld s PHE 148 CO -0.07 -0.69 0.52 -0.11 0.70 0.00 0.00 175.22 175.57 1bld n LEU 149 N -2.26 0.05 -4.55 -0.37 7.94 -0.59 -2.37 117.00 114.86 1bld n LEU 149 Ca 0.05 -4.64 -0.36 0.00 -1.11 0.00 0.00 56.01 49.96 1bld n LEU 149 Cb 0.59 0.64 -0.03 0.00 0.53 0.00 0.00 43.42 45.15 1bld n LEU 149 CO 0.46 2.06 1.90 -2.84 -1.11 0.00 0.00 177.39 177.86 1bld s PRO 150 N -1.06 2.20 -0.25 1.96 0.02 -1.26 -3.53 135.00 133.09 1bld s PRO 150 Ca 0.35 1.19 -0.14 0.00 0.02 0.00 0.00 61.00 62.41 1bld s PRO 150 Cb 0.16 -4.55 -0.04 0.00 0.02 0.00 0.00 34.50 30.09 1bld s PRO 150 CO -0.12 -3.21 0.34 -1.64 -0.33 0.00 0.00 177.00 172.04 1bld s MET 151 N 8.01 4.07 0.59 5.54 -1.94 -0.88 -4.86 119.30 129.83 1bld s MET 151 Ca 0.90 0.02 -0.20 0.00 -1.71 0.00 0.00 55.69 54.70 1bld s MET 151 Cb -0.16 -3.60 -0.03 0.00 2.01 0.00 0.00 34.83 33.05 1bld s MET 151 CO 0.24 -0.15 1.28 0.45 -0.01 0.00 0.00 175.02 176.83 1bld s SER 152 N 1.38 5.05 -1.09 3.03 0.15 -1.26 -2.39 113.70 118.57 1bld s SER 152 Ca 0.14 2.59 -0.06 0.00 0.70 0.00 0.00 55.95 59.32 1bld s SER 152 Cb -0.15 -2.62 0.01 0.00 -1.71 0.00 0.00 66.02 61.55 1bld s SER 152 CO 0.09 -1.70 2.75 0.00 1.20 0.00 0.00 173.24 175.57 1bld n ALA 153 N -1.46 6.90 -1.00 5.45 0.00 -1.25 -4.72 120.51 124.43 1bld n ALA 153 Ca 0.13 -3.50 0.00 0.00 0.00 0.00 0.00 53.44 50.07 1bld n ALA 153 Cb 0.47 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 17.16 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 2.14 0.00 0.00 0.00 5.02 -1.26 -5.04 118.16 119.02 1bld n LYS 154 Ca 0.62 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 57.05 1bld n LYS 154 Cb 0.37 -0.36 0.57 0.00 -0.02 0.00 0.00 35.03 35.60 1bld n LYS 154 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31