#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bld h ALA 2 N 0.00 1.03 -1.88 3.17 0.00 -2.03 -3.30 119.26 116.26 1bld h ALA 2 Ca 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.18 1bld h ALA 2 Cb 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.60 1bld h ALA 2 CO 0.00 -0.03 1.08 -1.21 0.00 0.00 0.00 179.25 179.09 1bld s GLU 3 N -3.94 3.94 0.00 0.00 8.01 -1.26 -4.82 118.70 120.63 1bld s GLU 3 Ca -0.04 -2.40 0.00 0.00 0.01 0.00 0.00 54.97 52.54 1bld s GLU 3 Cb 0.10 -4.95 0.00 0.00 -4.31 0.00 0.00 34.13 24.97 1bld s GLU 3 CO 0.33 -1.70 0.00 0.41 0.01 0.00 0.00 175.26 174.30 1bld n GLY 4 N 4.37 3.96 0.00 -1.39 0.00 -1.24 -4.94 105.19 105.95 1bld n GLY 4 Ca 0.31 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.79 3.72 -1.88 1.61 4.71 -1.22 -4.77 120.64 122.02 1bld n GLU 5 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.16 56.93 1bld n GLU 5 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 31.44 30.36 1bld n GLU 5 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 1bld s ILE 6 N 0.59 3.31 -0.84 -3.67 -4.36 -1.26 -4.83 121.20 110.14 1bld s ILE 6 Ca 0.00 -0.37 -0.20 0.00 -0.26 0.00 0.00 60.65 59.82 1bld s ILE 6 Cb 0.00 -3.91 -0.20 0.00 1.25 0.00 0.00 42.46 39.60 1bld s ILE 6 CO 0.00 -0.61 2.23 0.41 0.24 0.00 0.00 174.94 177.21 1bld n THR 7 N 8.25 0.00 0.11 8.37 -1.04 -1.26 -4.64 114.28 124.06 1bld n THR 7 Ca 0.43 -0.45 0.05 0.00 -2.04 0.00 0.00 64.05 62.05 1bld n THR 7 Cb 0.46 -1.31 0.23 0.00 -1.82 0.00 0.00 70.33 67.89 1bld n THR 7 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1bld n THR 8 N 7.66 1.28 -1.53 12.58 5.66 -1.26 -5.03 114.28 133.64 1bld n THR 8 Ca 0.50 -0.76 0.01 0.00 -3.05 0.00 0.00 64.05 60.74 1bld n THR 8 Cb 0.36 -0.11 -0.00 0.00 -1.55 0.00 0.00 70.33 69.02 1bld n THR 8 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1bld n LEU 9 N 0.56 -1.47 -4.73 1.09 7.99 -1.26 -4.74 117.00 114.44 1bld n LEU 9 Ca 0.16 2.53 -0.41 0.00 -0.01 0.00 0.00 56.01 58.28 1bld n LEU 9 Cb 0.66 -3.02 0.01 0.00 -0.11 0.00 0.00 43.42 40.96 1bld n LEU 9 CO 0.16 -0.79 0.98 -2.65 -1.51 0.00 0.00 177.39 173.59 1bld n PRO 10 N -2.63 2.15 -2.70 3.23 -0.01 -1.26 -4.99 135.00 128.79 1bld n PRO 10 Ca -0.00 0.76 -0.06 0.00 -0.01 0.00 0.00 63.50 64.19 1bld n PRO 10 Cb 0.44 -2.49 0.02 0.00 -0.01 0.00 0.00 33.50 31.45 1bld n PRO 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bld n ALA 11 N -0.07 -1.02 -3.01 3.55 0.00 -1.26 -5.11 120.51 113.59 1bld n ALA 11 Ca 0.05 -0.78 -0.17 0.00 0.00 0.00 0.00 53.44 52.54 1bld n ALA 11 Cb 0.40 0.62 -0.02 0.00 0.00 0.00 0.00 19.45 20.45 1bld n ALA 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1bld n LEU 12 N 0.00 -1.08 0.00 0.00 7.94 -1.26 -5.13 117.00 117.47 1bld n LEU 12 Ca -0.05 -4.13 0.00 0.00 -1.11 0.00 0.00 56.01 50.72 1bld n LEU 12 Cb 0.36 0.72 0.00 0.00 0.53 0.00 0.00 43.42 45.03 1bld n LEU 12 CO 0.17 2.04 0.00 -2.65 -1.11 0.00 0.00 177.39 175.84 1bld n PRO 13 N 1.50 0.12 -0.88 1.96 -0.02 -1.26 -4.70 135.00 131.72 1bld n PRO 13 Ca 0.16 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.49 1bld n PRO 13 Cb 0.57 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.94 1bld n PRO 13 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1bld n GLU 14 N -0.60 1.99 0.08 -0.52 1.02 -1.26 -4.25 120.64 117.10 1bld n GLU 14 Ca 0.00 -1.09 -0.02 0.00 -0.02 0.00 0.00 57.16 56.03 1bld n GLU 14 Cb 0.00 -2.10 -0.05 0.00 -0.02 0.00 0.00 31.44 29.26 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 4.09 0.00 0.00 1.62 3.58 -2.00 -3.38 116.42 120.33 1bld h ASP 15 Ca 0.30 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.75 1bld h ASP 15 Cb 0.97 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.02 1bld h ASP 15 CO 0.64 0.69 -0.09 1.23 -2.88 0.00 0.00 179.24 178.84 1bld h GLY 16 N 3.43 0.00 0.00 -0.78 0.00 -1.94 -3.47 103.07 100.30 1bld h GLY 16 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1bld h GLY 16 CO 0.08 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.23 1bld n GLY 17 N 1.80 -1.19 2.59 4.60 0.00 -1.26 -4.49 105.19 107.24 1bld n GLY 17 Ca -0.01 -1.25 -0.10 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.38 -0.27 -1.73 1.61 3.41 -1.26 -4.91 113.62 110.09 1bld n SER 18 Ca 0.00 -2.87 -0.02 0.00 -0.26 0.00 0.00 58.87 55.73 1bld n SER 18 Cb 0.00 0.30 0.04 0.00 -0.26 0.00 0.00 64.21 64.29 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 -0.07 0.32 2.93 5.00 0.00 -1.26 -5.03 105.19 107.08 1bld n GLY 19 Ca 0.08 -0.06 -0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.55 -2.76 -3.65 4.61 0.00 -1.26 -3.83 120.51 113.06 1bld n ALA 20 Ca -0.10 0.37 -0.22 0.00 0.00 0.00 0.00 53.44 53.49 1bld n ALA 20 Cb 0.63 -0.97 0.01 0.00 0.00 0.00 0.00 19.45 19.11 1bld n ALA 20 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1bld n PHE 21 N 1.09 -2.17 -1.85 0.00 3.01 -1.26 -4.78 117.46 111.49 1bld n PHE 21 Ca -0.02 0.79 -0.43 0.00 1.01 0.00 0.00 57.45 58.80 1bld n PHE 21 Cb 0.25 -3.13 -0.03 0.00 -0.01 0.00 0.00 39.48 36.56 1bld n PHE 21 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1bld s PRO 22 N -4.87 3.62 -0.12 -1.08 0.05 -1.25 -4.86 135.00 126.49 1bld s PRO 22 Ca 0.10 1.95 -0.29 0.00 0.05 0.00 0.00 61.00 62.81 1bld s PRO 22 Cb -0.04 -4.18 -0.06 0.00 0.05 0.00 0.00 34.50 30.27 1bld s PRO 22 CO 0.87 -1.52 1.97 -1.25 0.05 0.00 0.00 177.00 177.11 1bld s PRO 23 N 5.23 3.70 0.00 0.56 0.05 -1.26 -4.42 135.00 138.85 1bld s PRO 23 Ca 0.85 2.17 0.00 0.00 0.05 0.00 0.00 61.00 64.06 1bld s PRO 23 Cb -0.31 -4.20 0.00 0.00 0.05 0.00 0.00 34.50 30.04 1bld s PRO 23 CO 0.34 -1.45 0.00 0.41 0.05 0.00 0.00 177.00 176.35 1bld n GLY 24 N 5.00 0.00 3.19 0.56 0.00 -1.26 -5.07 105.19 107.61 1bld n GLY 24 Ca 0.23 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.26 1bld n GLY 24 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1bld s HIS 25 N -0.07 -1.74 0.00 1.61 -3.43 -1.26 -4.99 115.29 105.41 1bld s HIS 25 Ca 0.00 0.38 0.00 0.00 -0.80 0.00 0.00 55.06 54.64 1bld s HIS 25 Cb 0.00 0.31 0.00 0.00 -1.43 0.00 0.00 32.58 31.46 1bld s HIS 25 CO 0.00 -1.16 0.85 1.19 -2.00 0.00 0.00 174.74 173.62 1bld n PHE 26 N 4.57 0.00 -0.44 0.38 3.01 -1.26 -4.84 117.46 118.88 1bld n PHE 26 Ca 0.10 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.59 1bld n PHE 26 Cb 0.56 0.01 0.28 0.00 -0.01 0.00 0.00 39.48 40.33 1bld n PHE 26 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1bld n LYS 27 N 0.00 3.69 -4.32 -1.08 2.85 -1.26 -3.96 118.16 114.08 1bld n LYS 27 Ca 0.00 -2.33 -0.30 0.00 -1.05 0.00 0.00 58.31 54.63 1bld n LYS 27 Cb 0.64 -2.05 -0.11 0.00 -0.65 0.00 0.00 35.03 32.86 1bld n LYS 27 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1bld s ASP 28 N -0.59 4.08 0.75 -5.58 1.11 -1.26 -4.98 116.67 110.20 1bld s ASP 28 Ca 0.41 -0.47 -0.15 0.00 0.18 0.00 0.00 52.55 52.52 1bld s ASP 28 Cb 0.32 -0.67 0.05 0.00 1.07 0.00 0.00 42.92 43.68 1bld s ASP 28 CO 0.11 0.19 1.24 -2.16 1.18 0.00 0.00 175.17 175.74 1bld s PRO 29 N -2.06 1.97 -0.05 8.23 0.04 -1.26 -4.29 135.00 137.58 1bld s PRO 29 Ca 0.19 1.89 -0.01 0.00 0.04 0.00 0.00 61.00 63.11 1bld s PRO 29 Cb -0.11 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.66 1bld s PRO 29 CO 0.11 -1.99 0.01 0.15 0.04 0.00 0.00 177.00 175.32 1bld s LYS 30 N -3.83 0.34 -0.27 4.56 1.02 -1.11 -2.88 119.74 117.57 1bld s LYS 30 Ca 0.77 0.15 -0.24 0.00 0.02 0.00 0.00 55.97 56.66 1bld s LYS 30 Cb -0.32 -0.66 -0.00 0.00 -0.52 0.00 0.00 37.83 36.32 1bld s LYS 30 CO 0.46 -0.23 0.83 1.03 -0.92 0.00 0.00 175.35 176.52 1bld s ARG 31 N 1.58 4.11 -0.67 1.68 0.52 -1.19 -4.29 118.95 120.69 1bld s ARG 31 Ca -0.02 0.84 -0.24 0.00 -0.52 0.00 0.00 55.73 55.79 1bld s ARG 31 Cb -0.13 -3.67 0.05 0.00 0.52 0.00 0.00 34.95 31.72 1bld s ARG 31 CO -0.03 -0.59 1.07 -0.51 0.02 0.00 0.00 175.30 175.27 1bld s LEU 32 N 2.92 3.93 -0.20 2.53 1.43 -1.26 -2.38 118.68 125.64 1bld s LEU 32 Ca 0.35 -0.70 -0.16 0.00 -1.03 0.00 0.00 54.13 52.59 1bld s LEU 32 Cb -0.15 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 1bld s LEU 32 CO 0.09 -1.55 0.39 -0.47 0.23 0.00 0.00 176.35 175.05 1bld s TYR 33 N 4.62 3.37 -0.21 0.29 5.04 -1.24 -2.25 117.35 126.97 1bld s TYR 33 Ca 0.28 0.60 -0.20 0.00 -2.44 0.00 0.00 57.07 55.31 1bld s TYR 33 Cb -0.13 -2.52 -0.03 0.00 0.35 0.00 0.00 41.96 39.63 1bld s TYR 33 CO 0.13 -0.01 0.59 0.00 -1.34 0.00 0.00 175.55 174.92 1bld n LYS 35 N 5.03 0.18 -3.00 0.00 0.00 -1.20 -2.36 118.16 116.82 1bld n LYS 35 Ca -0.03 0.34 -0.43 0.00 0.00 0.00 0.00 58.31 58.19 1bld n LYS 35 Cb 0.50 -1.80 -0.05 0.00 0.00 0.00 0.00 35.03 33.68 1bld n LYS 35 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1bld s ASN 36 N -4.10 6.27 0.00 3.14 0.02 -1.26 -3.84 114.94 115.17 1bld s ASN 36 Ca 0.06 -0.68 0.00 0.00 -1.02 0.00 0.00 52.86 51.22 1bld s ASN 36 Cb 0.10 -2.36 0.00 0.00 0.02 0.00 0.00 41.25 39.01 1bld s ASN 36 CO 0.42 -1.08 0.00 0.61 0.02 0.00 0.00 177.10 177.07 1bld n GLY 37 N 5.16 0.67 3.09 0.66 0.00 -1.26 -4.35 105.19 109.17 1bld n GLY 37 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.46 -1.28 2.96 -0.02 0.00 -1.12 -5.01 105.19 98.27 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 -1.54 -0.13 -0.25 1.61 0.08 -0.99 -4.73 117.98 112.02 1bld s PHE 39 Ca 0.13 0.36 -0.12 0.00 0.12 0.00 0.00 56.93 57.42 1bld s PHE 39 Cb -0.02 -0.01 -0.05 0.00 -0.57 0.00 0.00 43.02 42.37 1bld s PHE 39 CO 0.54 -0.10 0.25 -0.06 -0.10 0.00 0.00 175.22 175.75 1bld s PHE 40 N 0.48 3.29 0.49 0.36 0.40 -0.63 -0.07 117.98 122.29 1bld s PHE 40 Ca -0.03 0.30 -0.22 0.00 -0.60 0.00 0.00 56.93 56.38 1bld s PHE 40 Cb -0.05 -2.40 -0.08 0.00 0.51 0.00 0.00 43.02 41.00 1bld s PHE 40 CO -0.02 -0.07 1.09 -0.11 0.70 0.00 0.00 175.22 176.82 1bld n LEU 41 N 4.73 3.57 -3.70 -0.37 7.94 -0.95 -1.29 117.00 126.93 1bld n LEU 41 Ca -0.12 0.98 -0.11 0.00 -1.11 0.00 0.00 56.01 55.65 1bld n LEU 41 Cb 0.52 -1.42 -0.11 0.00 0.53 0.00 0.00 43.42 42.93 1bld n LEU 41 CO 0.36 -1.31 0.02 -0.60 -1.11 0.00 0.00 177.39 174.74 1bld s ARG 42 N -2.37 0.35 -0.13 1.96 3.52 -0.44 -4.70 118.95 117.13 1bld s ARG 42 Ca 0.67 0.77 -0.15 0.00 -0.13 0.00 0.00 55.73 56.90 1bld s ARG 42 Cb -0.49 -0.01 -0.05 0.00 -1.56 0.00 0.00 34.95 32.85 1bld s ARG 42 CO 0.53 -0.17 0.34 0.42 -0.81 0.00 0.00 175.30 175.61 1bld s ILE 43 N 1.54 5.26 0.27 4.11 1.01 -1.26 -1.92 121.20 130.22 1bld s ILE 43 Ca -0.08 0.65 -0.08 0.00 0.00 0.00 0.00 60.65 61.14 1bld s ILE 43 Cb -0.09 -3.67 -0.07 0.00 0.01 0.00 0.00 42.46 38.64 1bld s ILE 43 CO -0.12 0.40 0.59 -1.00 0.00 0.00 0.00 174.94 174.81 1bld s HIS 44 N 0.31 3.44 0.56 3.97 3.76 -0.76 -4.73 115.29 121.85 1bld s HIS 44 Ca 0.19 0.84 0.25 0.00 -0.15 0.00 0.00 55.06 56.19 1bld s HIS 44 Cb -0.14 -2.24 1.55 0.00 1.11 0.00 0.00 32.58 32.86 1bld s HIS 44 CO 0.06 0.18 2.11 -1.00 -0.85 0.00 0.00 174.74 175.25 1bld h PRO 45 N 2.09 0.00 0.00 8.40 0.13 -1.91 0.10 132.00 140.82 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 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1bld h PRO 45 CO 0.67 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.04 1bld n ASP 46 N -4.08 0.00 0.00 1.44 5.68 -1.26 -4.81 116.55 113.52 1bld n ASP 46 Ca 0.01 -1.48 0.00 0.00 -0.50 0.00 0.00 54.79 52.83 1bld n ASP 46 Cb 0.29 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 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 0.25 2.21 3.20 6.12 0.00 0.35 -4.95 105.19 112.37 1bld n GLY 47 Ca 0.00 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.74 -3.80 1.61 1.74 -1.26 -2.73 116.66 111.49 1bld n ARG 48 Ca 0.00 -0.20 -0.14 0.00 -0.77 0.00 0.00 57.85 56.75 1bld n ARG 48 Cb 0.00 -1.46 -0.15 0.00 -1.02 0.00 0.00 32.46 29.83 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 -2.18 -0.03 0.07 1.55 1.01 -1.26 -1.82 120.40 117.74 1bld s VAL 49 Ca 0.49 0.12 -0.25 0.00 0.00 0.00 0.00 61.98 62.34 1bld s VAL 49 Cb -0.09 -0.12 0.07 0.00 0.00 0.00 0.00 36.38 36.24 1bld s VAL 49 CO 0.69 0.05 0.61 1.51 0.00 0.00 0.00 175.10 177.96 1bld s ASP 50 N 0.68 -0.58 0.22 3.32 -4.77 -0.81 -4.70 116.67 110.04 1bld s ASP 50 Ca -0.05 0.26 -0.06 0.00 -3.30 0.00 0.00 52.55 49.40 1bld s ASP 50 Cb -0.08 0.56 -0.06 0.00 -1.09 0.00 0.00 42.92 42.26 1bld s ASP 50 CO -0.03 -0.81 0.48 -0.83 0.70 0.00 0.00 175.17 174.69 1bld s GLY 51 N -2.12 2.06 -0.01 2.12 0.00 -1.26 -1.33 107.32 106.78 1bld s GLY 51 Ca -0.04 -0.52 -0.09 0.00 0.00 0.00 0.00 44.72 44.08 1bld s GLY 51 CO -0.04 -0.42 0.17 -1.34 0.00 0.00 0.00 173.10 171.48 1bld s VAL 52 N -1.88 0.07 -1.00 1.40 -7.23 -0.41 -4.82 120.40 106.54 1bld s VAL 52 Ca 0.43 -0.60 0.28 0.00 -1.81 0.00 0.00 61.98 60.29 1bld s VAL 52 Cb -0.11 -0.45 0.19 0.00 0.56 0.00 0.00 36.38 36.56 1bld s VAL 52 CO 0.26 -0.33 1.81 0.54 -0.31 0.00 0.00 175.10 177.08 1bld n ARG 53 N 1.54 0.00 -2.05 4.82 1.74 -1.26 -1.61 116.66 119.85 1bld n ARG 53 Ca -0.22 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.59 1bld n ARG 53 Cb 0.56 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.44 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 -3.00 2.48 -0.20 5.56 2.02 -1.26 -4.78 118.70 119.52 1bld s GLU 54 Ca 0.13 -0.83 -0.05 0.00 0.02 0.00 0.00 54.97 54.24 1bld s GLU 54 Cb 0.19 -5.17 -0.12 0.00 0.10 0.00 0.00 34.13 29.13 1bld s GLU 54 CO 0.57 -3.81 3.21 0.36 0.02 0.00 0.00 175.26 175.61 1bld n LYS 55 N 8.49 2.15 0.00 1.61 2.85 -1.26 -3.60 118.16 128.39 1bld n LYS 55 Ca 0.43 -1.56 0.00 0.00 -1.05 0.00 0.00 58.31 56.13 1bld n LYS 55 Cb 0.47 -2.03 0.00 0.00 -0.65 0.00 0.00 35.03 32.81 1bld n LYS 55 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1bld n SER 56 N 1.76 0.00 -4.85 -5.58 7.64 -1.26 -3.46 113.62 107.87 1bld n SER 56 Ca 0.44 -1.00 -0.37 0.00 1.01 0.00 0.00 58.87 58.95 1bld n SER 56 Cb 0.75 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.89 1bld n SER 56 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1bld s ASP 57 N 0.00 6.60 0.00 6.43 1.01 -1.24 -4.89 116.67 124.58 1bld s ASP 57 Ca 0.00 0.71 0.02 0.00 0.71 0.00 0.00 52.55 53.99 1bld s ASP 57 Cb 0.00 -2.16 0.10 0.00 1.01 0.00 0.00 42.92 41.87 1bld s ASP 57 CO 0.00 0.36 0.80 -0.81 0.21 0.00 0.00 175.17 175.73 1bld n PRO 58 N 1.97 0.03 0.17 8.23 -0.04 -1.26 -1.72 135.00 142.39 1bld n PRO 58 Ca -0.17 0.21 0.04 0.00 -0.04 0.00 0.00 63.50 63.54 1bld n PRO 58 Cb 0.54 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.72 1bld n PRO 58 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1bld h HIS 59 N 0.00 0.00 0.00 0.54 3.86 -1.93 -2.76 115.15 114.85 1bld h HIS 59 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1bld h HIS 59 Cb 0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1bld h HIS 59 CO 0.00 0.43 0.00 0.44 0.86 0.00 0.00 177.93 179.66 1bld n ILE 60 N -3.41 0.01 -2.72 2.45 -5.35 -0.70 -4.24 119.36 105.41 1bld n ILE 60 Ca 0.01 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.06 1bld n ILE 60 Cb 0.60 -0.52 -0.02 0.00 -1.74 0.00 0.00 39.64 37.96 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 -2.20 3.73 -0.02 6.28 -0.14 -1.04 -4.62 119.74 121.73 1bld s LYS 61 Ca 0.40 -1.64 -0.18 0.00 -1.36 0.00 0.00 55.97 53.19 1bld s LYS 61 Cb 0.21 -5.23 -0.05 0.00 -1.68 0.00 0.00 37.83 31.08 1bld s LYS 61 CO 0.39 -2.04 0.51 -0.51 -0.76 0.00 0.00 175.35 172.94 1bld s LEU 62 N 3.76 4.41 -0.56 3.17 1.43 -1.26 -2.65 118.68 126.97 1bld s LEU 62 Ca 0.43 1.03 -0.22 0.00 -1.03 0.00 0.00 54.13 54.34 1bld s LEU 62 Cb -0.01 -2.77 0.05 0.00 0.03 0.00 0.00 46.19 43.50 1bld s LEU 62 CO -0.05 0.16 0.84 -1.58 0.23 0.00 0.00 176.35 175.94 1bld s GLN 63 N -0.33 3.21 0.32 1.70 0.74 0.33 -2.73 119.66 122.90 1bld s GLN 63 Ca 0.27 -0.61 -0.06 0.00 0.05 0.00 0.00 55.36 55.02 1bld s GLN 63 Cb -0.17 -4.11 -0.05 0.00 1.10 0.00 0.00 33.01 29.78 1bld s GLN 63 CO 0.14 -1.47 0.61 -0.51 -0.55 0.00 0.00 175.29 173.51 1bld s LEU 64 N 3.51 4.00 -0.00 3.68 1.02 -1.26 -1.04 118.68 128.59 1bld s LEU 64 Ca 0.23 0.81 -0.00 0.00 0.02 0.00 0.00 54.13 55.19 1bld s LEU 64 Cb -0.16 -3.64 -0.00 0.00 0.02 0.00 0.00 46.19 42.41 1bld s LEU 64 CO 0.15 -0.25 0.00 -1.10 0.02 0.00 0.00 176.35 175.17 1bld s GLN 65 N -3.64 0.05 -0.01 1.70 -1.52 0.21 -4.42 119.66 112.02 1bld s GLN 65 Ca 0.46 -0.07 -0.18 0.00 -1.95 0.00 0.00 55.36 53.62 1bld s GLN 65 Cb -0.11 0.02 -0.05 0.00 -0.22 0.00 0.00 33.01 32.65 1bld s GLN 65 CO 0.30 -0.01 0.52 0.00 -0.25 0.00 0.00 175.29 175.85 1bld s ALA 66 N -0.18 3.56 -0.04 6.09 0.00 -1.26 0.30 121.76 130.22 1bld s ALA 66 Ca -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 51.96 51.84 1bld s ALA 66 Cb -0.01 -2.61 0.03 0.00 0.00 0.00 0.00 23.12 20.53 1bld s ALA 66 CO -0.00 0.25 0.07 -2.00 0.00 0.00 0.00 175.76 174.08 1bld s GLU 67 N -0.41 -0.05 0.59 0.00 2.56 -0.94 -4.85 118.70 115.59 1bld s GLU 67 Ca 0.28 0.37 0.00 0.00 0.00 0.00 0.00 54.97 55.62 1bld s GLU 67 Cb -0.17 -0.42 0.00 0.00 2.00 0.00 0.00 34.13 35.54 1bld s GLU 67 CO 0.15 -0.29 0.00 -1.91 -0.56 0.00 0.00 175.26 172.65 1bld n GLU 68 N 5.06 -3.35 -0.52 4.30 2.13 -1.26 -2.32 120.64 124.67 1bld n GLU 68 Ca -0.09 2.65 -0.09 0.00 0.66 0.00 0.00 57.16 60.29 1bld n GLU 68 Cb 0.50 -3.95 0.05 0.00 0.27 0.00 0.00 31.44 28.31 1bld n GLU 68 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1bld n ARG 69 N -4.39 1.47 -0.28 5.31 0.00 -1.26 -3.64 116.66 113.86 1bld n ARG 69 Ca -0.07 -1.05 0.00 0.00 -0.00 0.00 0.00 57.85 56.73 1bld n ARG 69 Cb 0.70 -1.41 0.00 0.00 -0.00 0.00 0.00 32.46 31.75 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 0.16 0.84 3.18 2.89 0.00 -1.26 -4.92 105.19 106.08 1bld n GLY 70 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 0.12 -0.07 1.61 1.01 -0.98 -4.62 120.40 117.46 1bld s VAL 71 Ca 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 1bld s VAL 71 Cb 0.00 -0.98 0.04 0.00 0.00 0.00 0.00 36.38 35.44 1bld s VAL 71 CO 0.00 -0.53 0.16 0.68 0.00 0.00 0.00 175.10 175.42 1bld s VAL 72 N -2.79 -0.05 -0.19 2.92 -7.23 -1.26 -2.22 120.40 109.58 1bld s VAL 72 Ca -0.03 0.17 -0.17 0.00 -1.81 0.00 0.00 61.98 60.14 1bld s VAL 72 Cb -0.00 -0.27 -0.04 0.00 0.56 0.00 0.00 36.38 36.64 1bld s VAL 72 CO -0.05 0.07 0.46 -0.44 -0.31 0.00 0.00 175.10 174.83 1bld s SER 73 N 1.19 6.52 -0.05 4.85 0.01 0.15 -3.93 113.70 122.44 1bld s SER 73 Ca -0.09 0.62 -0.02 0.00 1.31 0.00 0.00 55.95 57.77 1bld s SER 73 Cb -0.11 -2.27 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 1bld s SER 73 CO -0.06 -0.11 0.07 -0.63 0.41 0.00 0.00 173.24 172.91 1bld s ILE 74 N 1.38 4.80 0.01 1.44 1.01 -1.26 0.65 121.20 129.22 1bld s ILE 74 Ca 0.22 -0.22 -0.11 0.00 0.00 0.00 0.00 60.65 60.55 1bld s ILE 74 Cb -0.15 -3.12 0.01 0.00 0.01 0.00 0.00 42.46 39.21 1bld s ILE 74 CO 0.09 0.49 0.22 -0.75 0.00 0.00 0.00 174.94 174.99 1bld s LYS 75 N -1.33 0.62 -0.03 2.79 2.20 -0.21 -3.99 119.74 119.80 1bld s LYS 75 Ca 0.18 -0.40 -0.13 0.00 -0.36 0.00 0.00 55.97 55.26 1bld s LYS 75 Cb -0.12 0.27 -0.05 0.00 -1.51 0.00 0.00 37.83 36.42 1bld s LYS 75 CO 0.08 -0.17 0.35 0.20 -0.36 0.00 0.00 175.35 175.45 1bld s GLY 76 N -1.60 2.40 -0.04 5.54 0.00 -0.50 0.12 107.32 113.25 1bld s GLY 76 Ca -0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 44.72 44.28 1bld s GLY 76 CO 0.01 0.06 0.11 -2.08 0.00 0.00 0.00 173.10 171.20 1bld h VAL 77 N 3.82 0.00 -0.19 1.40 2.07 -1.83 -1.75 116.25 119.76 1bld h VAL 77 Ca -0.52 -0.40 -0.15 0.00 0.82 0.00 0.00 66.70 66.45 1bld h VAL 77 Cb 1.22 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1bld h VAL 77 CO 0.62 0.00 -0.46 0.28 0.02 0.00 0.00 177.57 178.02 1bld h SER 78 N -0.45 0.73 0.60 0.57 0.02 -1.79 -3.00 113.55 110.23 1bld h SER 78 Ca -0.01 -0.57 -0.05 0.00 -0.84 0.00 0.00 61.79 60.33 1bld h SER 78 Cb 0.04 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1bld h SER 78 CO 0.01 1.17 -0.23 0.00 -1.14 0.00 0.00 176.83 176.63 1bld h ALA 79 N 0.58 1.17 -6.35 3.77 0.00 -1.85 -3.47 119.26 113.12 1bld h ALA 79 Ca -0.00 -0.21 -0.47 0.00 0.00 0.00 0.00 54.91 54.22 1bld h ALA 79 Cb 1.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1bld h ALA 79 CO 0.10 0.29 -0.88 0.09 0.00 0.00 0.00 179.25 178.85 1bld n ASN 80 N -3.62 -1.16 -3.82 0.00 3.02 -0.66 -4.91 115.26 104.11 1bld n ASN 80 Ca -0.01 -0.96 -0.12 0.00 -0.03 0.00 0.00 54.58 53.46 1bld n ASN 80 Cb 0.36 -3.36 -0.10 0.00 -0.61 0.00 0.00 39.78 36.07 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 -6.32 0.42 -0.04 3.52 0.52 -1.24 -4.60 118.95 111.21 1bld s ARG 81 Ca 0.06 -0.09 -0.20 0.00 -0.52 0.00 0.00 55.73 54.99 1bld s ARG 81 Cb -0.02 0.19 -0.05 0.00 0.52 0.00 0.00 34.95 35.59 1bld s ARG 81 CO 0.86 -0.09 0.56 0.71 0.02 0.00 0.00 175.30 177.36 1bld s TYR 82 N -0.78 3.63 0.53 -0.53 1.51 0.17 -1.41 117.35 120.47 1bld s TYR 82 Ca -0.09 1.10 -0.22 0.00 -1.01 0.00 0.00 57.07 56.86 1bld s TYR 82 Cb -0.05 -2.59 -0.05 0.00 -0.11 0.00 0.00 41.96 39.16 1bld s TYR 82 CO 0.02 0.30 1.29 -1.17 -1.11 0.00 0.00 175.55 174.87 1bld s LEU 83 N 0.05 3.87 -0.14 -1.29 2.96 -1.26 -2.15 118.68 120.73 1bld s LEU 83 Ca 0.30 2.60 -0.09 0.00 -0.22 0.00 0.00 54.13 56.72 1bld s LEU 83 Cb -0.17 -4.30 0.05 0.00 0.50 0.00 0.00 46.19 42.26 1bld s LEU 83 CO 0.15 -1.41 0.34 0.00 -1.32 0.00 0.00 176.35 174.12 1bld s ALA 84 N -1.40 -0.85 -0.27 5.97 0.00 -0.00 -4.33 121.76 120.87 1bld s ALA 84 Ca 0.70 1.23 -0.13 0.00 0.00 0.00 0.00 51.96 53.76 1bld s ALA 84 Cb -0.36 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 1bld s ALA 84 CO 0.43 -0.22 0.29 1.41 0.00 0.00 0.00 175.76 177.67 1bld s MET 85 N 1.03 3.99 0.96 0.00 1.75 -1.19 -1.99 119.30 123.85 1bld s MET 85 Ca -0.07 -0.11 -0.16 0.00 -1.25 0.00 0.00 55.69 54.11 1bld s MET 85 Cb -0.07 -3.65 0.19 0.00 2.84 0.00 0.00 34.83 34.13 1bld s MET 85 CO -0.08 -0.23 1.28 0.15 -0.65 0.00 0.00 175.02 175.49 1bld s LYS 86 N 1.92 0.69 0.18 4.11 -0.14 -1.07 -4.97 119.74 120.45 1bld s LYS 86 Ca 0.12 -0.28 0.14 0.00 -1.36 0.00 0.00 55.97 54.58 1bld s LYS 86 Cb -0.16 -1.84 -0.05 0.00 -1.68 0.00 0.00 37.83 34.10 1bld s LYS 86 CO 0.10 -2.40 1.21 1.05 -0.76 0.00 0.00 175.35 174.55 1bld h GLU 87 N -1.63 0.00 0.00 1.68 4.11 -1.98 -3.18 114.58 113.58 1bld h GLU 87 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1bld h GLU 87 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1bld h GLU 87 CO 0.43 0.53 0.00 -0.40 0.07 0.00 0.00 179.01 179.63 1bld n ASP 88 N -3.14 0.00 0.00 3.06 5.68 -1.26 -4.82 116.55 116.07 1bld n ASP 88 Ca -0.02 -0.36 0.00 0.00 -0.50 0.00 0.00 54.79 53.91 1bld n ASP 88 Cb 0.81 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 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 0.36 2.21 3.68 6.12 0.00 -1.20 -4.83 105.19 111.53 1bld n GLY 89 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.62 4.26 -0.00 1.61 0.52 -1.26 -3.93 118.95 119.53 1bld s ARG 90 Ca 0.00 1.91 -0.19 0.00 -0.52 0.00 0.00 55.73 56.94 1bld s ARG 90 Cb 0.00 -3.68 -0.06 0.00 0.52 0.00 0.00 34.95 31.74 1bld s ARG 90 CO 0.00 -0.63 0.54 -0.51 0.02 0.00 0.00 175.30 174.72 1bld s LEU 91 N 2.86 4.43 0.00 2.53 1.02 -1.26 -2.59 118.68 125.67 1bld s LEU 91 Ca 0.63 1.09 0.00 0.00 0.02 0.00 0.00 54.13 55.88 1bld s LEU 91 Cb -0.29 -2.82 -0.00 0.00 0.02 0.00 0.00 46.19 43.10 1bld s LEU 91 CO 0.24 0.16 0.25 0.00 0.02 0.00 0.00 176.35 177.02 1bld n LEU 92 N 2.49 0.00 -4.08 1.79 -0.00 -0.84 -4.44 117.00 111.91 1bld n LEU 92 Ca -0.09 -1.66 -0.08 0.00 -0.00 0.00 0.00 56.01 54.19 1bld n LEU 92 Cb 0.51 1.31 -0.10 0.00 -0.00 0.00 0.00 43.42 45.14 1bld n LEU 92 CO 0.42 -0.35 -0.36 0.00 -0.00 0.00 0.00 177.39 177.10 1bld s ALA 93 N -2.38 0.50 0.22 1.47 0.00 -1.10 -0.82 121.76 119.64 1bld s ALA 93 Ca 0.18 -1.14 -0.06 0.00 0.00 0.00 0.00 51.96 50.94 1bld s ALA 93 Cb -0.00 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 1bld s ALA 93 CO 0.13 -0.33 0.28 -1.54 0.00 0.00 0.00 175.76 174.30 1bld s SER 94 N -2.74 0.06 0.06 0.00 1.04 -0.91 -4.77 113.70 106.43 1bld s SER 94 Ca 0.04 -1.19 -0.09 0.00 0.48 0.00 0.00 55.95 55.19 1bld s SER 94 Cb 0.05 0.47 -0.31 0.00 0.10 0.00 0.00 66.02 66.33 1bld s SER 94 CO -0.08 -0.97 1.09 0.11 0.98 0.00 0.00 173.24 174.36 1bld h LYS 95 N 2.46 0.38 -5.51 4.02 1.57 -1.89 0.48 116.57 118.08 1bld h LYS 95 Ca -0.32 -0.65 -0.60 0.00 -1.87 0.00 0.00 60.65 57.22 1bld h LYS 95 Cb 1.25 0.24 -0.10 0.00 0.08 0.00 0.00 32.23 33.70 1bld h LYS 95 CO 0.45 1.31 -0.15 -1.12 -0.57 0.00 0.00 179.45 179.37 1bld s SER 96 N -7.32 6.52 -0.14 0.86 0.01 -1.26 -4.58 113.70 107.78 1bld s SER 96 Ca -0.06 0.61 -0.29 0.00 1.31 0.00 0.00 55.95 57.52 1bld s SER 96 Cb 0.06 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 64.00 1bld s SER 96 CO 0.91 -0.09 1.48 0.54 0.41 0.00 0.00 173.24 176.49 1bld s VAL 97 N 1.25 3.90 0.31 3.43 0.11 -1.26 -4.84 120.40 123.29 1bld s VAL 97 Ca 0.22 1.07 0.04 0.00 -2.93 0.00 0.00 61.98 60.37 1bld s VAL 97 Cb -0.15 -3.74 -0.02 0.00 -1.53 0.00 0.00 36.38 30.93 1bld s VAL 97 CO 0.09 -0.15 0.46 0.42 -3.33 0.00 0.00 175.10 172.59 1bld s THR 98 N 4.05 4.84 0.64 5.04 -4.23 -1.26 -4.94 115.64 119.79 1bld s THR 98 Ca 0.65 -0.81 0.26 0.00 -1.18 0.00 0.00 61.69 60.61 1bld s THR 98 Cb -0.26 -3.73 0.29 0.00 1.34 0.00 0.00 72.50 70.14 1bld s THR 98 CO 0.23 -0.35 1.76 -0.78 -0.54 0.00 0.00 174.62 174.95 1bld h ASP 99 N 0.93 0.00 -1.54 3.99 3.58 -2.01 -1.73 116.42 119.65 1bld h ASP 99 Ca -0.49 0.00 -0.70 0.00 0.42 0.00 0.00 57.03 56.26 1bld h ASP 99 Cb 1.24 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 42.09 1bld h ASP 99 CO 0.59 0.00 1.30 -0.62 -2.88 0.00 0.00 179.24 177.63 1bld n GLU 100 N -3.08 3.87 0.00 0.28 1.02 -1.26 -4.10 120.64 117.37 1bld n GLU 100 Ca 0.02 -3.45 0.00 0.00 -0.02 0.00 0.00 57.16 53.72 1bld n GLU 100 Cb 0.60 -2.40 0.00 0.00 -0.02 0.00 0.00 31.44 29.62 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 -0.01 3.29 -0.17 0.00 0.08 -1.26 -4.41 117.98 115.50 1bld s PHE 102 Ca 0.00 0.07 -0.06 0.00 0.12 0.00 0.00 56.93 57.05 1bld s PHE 102 Cb 0.00 -1.98 0.08 0.00 -0.57 0.00 0.00 43.02 40.54 1bld s PHE 102 CO 0.00 0.00 0.36 -0.06 -0.10 0.00 0.00 175.22 175.42 1bld s PHE 103 N -2.28 -0.63 -0.58 0.36 0.40 -1.25 -3.89 117.98 110.11 1bld s PHE 103 Ca 0.43 1.28 -0.26 0.00 -0.60 0.00 0.00 56.93 57.78 1bld s PHE 103 Cb -0.10 0.18 -0.07 0.00 0.51 0.00 0.00 43.02 43.54 1bld s PHE 103 CO 0.34 -0.41 2.30 -0.06 0.70 0.00 0.00 175.22 178.09 1bld s PHE 104 N 2.31 1.21 -0.79 0.36 0.08 -0.29 -4.05 117.98 116.82 1bld s PHE 104 Ca -0.02 1.48 -0.25 0.00 0.12 0.00 0.00 56.93 58.25 1bld s PHE 104 Cb -0.11 -3.66 -0.01 0.00 -0.57 0.00 0.00 43.02 38.67 1bld s PHE 104 CO -0.11 -2.29 1.72 -2.00 -0.10 0.00 0.00 175.22 172.44 1bld s GLU 105 N 8.13 2.85 -0.21 0.44 2.12 -1.26 -2.36 118.70 128.41 1bld s GLU 105 Ca 0.90 -0.09 -0.18 0.00 0.36 0.00 0.00 54.97 55.97 1bld s GLU 105 Cb -0.15 -4.71 -0.03 0.00 0.26 0.00 0.00 34.13 29.50 1bld s GLU 105 CO 0.21 -2.75 0.49 0.50 -0.54 0.00 0.00 175.26 173.16 1bld s ARG 106 N 6.48 4.16 0.07 4.30 3.52 -0.30 -4.89 118.95 132.30 1bld s ARG 106 Ca 0.59 0.34 -0.27 0.00 -0.13 0.00 0.00 55.73 56.26 1bld s ARG 106 Cb -0.08 -3.57 -0.05 0.00 -1.56 0.00 0.00 34.95 29.68 1bld s ARG 106 CO 0.08 -0.16 0.85 -1.17 -0.81 0.00 0.00 175.30 174.09 1bld s LEU 107 N 1.68 4.46 0.00 -0.88 2.96 -1.26 -1.08 118.68 124.56 1bld s LEU 107 Ca 0.22 1.59 -0.01 0.00 -0.22 0.00 0.00 54.13 55.71 1bld s LEU 107 Cb -0.15 -3.38 0.01 0.00 0.50 0.00 0.00 46.19 43.17 1bld s LEU 107 CO 0.09 -0.03 0.08 -0.62 -1.32 0.00 0.00 176.35 174.56 1bld n GLU 108 N 2.86 0.19 0.03 1.98 -0.58 0.61 -4.96 120.64 120.76 1bld n GLU 108 Ca -0.00 -0.17 0.11 0.00 -0.42 0.00 0.00 57.16 56.68 1bld n GLU 108 Cb 0.50 -0.08 -0.07 0.00 -0.57 0.00 0.00 31.44 31.23 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 -3.03 0.46 -1.74 1.62 3.41 -1.26 -4.07 113.62 109.01 1bld n SER 109 Ca 0.01 -0.06 -0.08 0.00 -0.26 0.00 0.00 58.87 58.47 1bld n SER 109 Cb 0.04 1.18 0.20 0.00 -0.26 0.00 0.00 64.21 65.37 1bld n SER 109 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1bld n ASN 110 N -2.21 3.90 0.00 4.04 0.23 -1.26 -4.84 115.26 115.12 1bld n ASN 110 Ca -0.01 -2.97 0.00 0.00 -0.53 0.00 0.00 54.58 51.08 1bld n ASN 110 Cb 0.51 -0.70 0.00 0.00 -2.08 0.00 0.00 39.78 37.50 1bld n ASN 110 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1bld n ASN 111 N -0.23 -1.12 -4.82 0.53 3.02 -1.26 -4.98 115.26 106.40 1bld n ASN 111 Ca 0.34 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.51 1bld n ASN 111 Cb 1.19 -1.25 -0.06 0.00 -0.61 0.00 0.00 39.78 39.05 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 -2.43 3.77 0.40 3.10 1.51 -1.26 -4.87 117.35 117.57 1bld s TYR 112 Ca 0.00 1.19 0.02 0.00 -1.01 0.00 0.00 57.07 57.27 1bld s TYR 112 Cb 0.00 -2.44 -0.01 0.00 -0.11 0.00 0.00 41.96 39.41 1bld s TYR 112 CO 0.00 0.58 0.60 -0.80 -1.11 0.00 0.00 175.55 174.82 1bld s ASN 113 N -1.18 5.92 -0.06 2.29 -0.87 -0.96 -0.29 114.94 119.80 1bld s ASN 113 Ca 0.29 0.16 -0.03 0.00 -1.57 0.00 0.00 52.86 51.71 1bld s ASN 113 Cb -0.18 -1.50 0.04 0.00 -0.02 0.00 0.00 41.25 39.59 1bld s ASN 113 CO 0.18 -0.57 0.11 0.42 -2.57 0.00 0.00 177.10 174.67 1bld s THR 114 N -2.41 -0.19 -0.52 1.60 -4.23 -0.24 -2.50 115.64 107.14 1bld s THR 114 Ca 0.46 0.39 -0.21 0.00 -1.18 0.00 0.00 61.69 61.15 1bld s THR 114 Cb -0.10 -0.23 0.05 0.00 1.34 0.00 0.00 72.50 73.56 1bld s THR 114 CO 0.36 0.16 0.73 -0.31 -0.54 0.00 0.00 174.62 175.01 1bld s TYR 115 N 2.24 2.97 0.05 3.99 2.02 -1.26 -1.15 117.35 126.20 1bld s TYR 115 Ca 0.04 -0.38 -0.07 0.00 -0.37 0.00 0.00 57.07 56.28 1bld s TYR 115 Cb -0.12 -3.71 -0.05 0.00 -0.40 0.00 0.00 41.96 37.68 1bld s TYR 115 CO -0.05 -1.14 0.33 0.50 -1.57 0.00 0.00 175.55 173.62 1bld s ARG 116 N 3.04 3.65 0.53 -0.62 3.52 -1.00 -2.47 118.95 125.60 1bld s ARG 116 Ca 0.20 0.01 -0.20 0.00 -0.13 0.00 0.00 55.73 55.60 1bld s ARG 116 Cb -0.17 -3.02 -0.06 0.00 -1.56 0.00 0.00 34.95 30.14 1bld s ARG 116 CO 0.14 0.60 1.17 0.45 -0.81 0.00 0.00 175.30 176.84 1bld s SER 117 N -1.82 5.72 -0.12 -2.12 0.15 -1.07 -1.13 113.70 113.30 1bld s SER 117 Ca 0.31 2.29 -0.10 0.00 0.70 0.00 0.00 55.95 59.15 1bld s SER 117 Cb -0.13 -2.59 -0.08 0.00 -1.71 0.00 0.00 66.02 61.50 1bld s SER 117 CO 0.18 -1.23 0.24 -0.09 1.20 0.00 0.00 173.24 173.54 1bld h ARG 118 N 1.39 0.00 -0.13 5.44 2.43 -1.92 -3.15 114.38 118.44 1bld h ARG 118 Ca -0.50 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.61 1bld h ARG 118 Cb 1.27 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1bld h ARG 118 CO 0.57 0.33 -0.14 -0.22 -1.51 0.00 0.00 179.97 179.00 1bld h LYS 119 N -1.00 0.32 -2.38 0.20 3.64 -1.92 -3.26 116.57 112.16 1bld h LYS 119 Ca -0.01 -0.17 -0.77 0.00 -1.27 0.00 0.00 60.65 58.43 1bld h LYS 119 Cb 0.35 0.01 -0.21 0.00 -0.41 0.00 0.00 32.23 31.97 1bld h LYS 119 CO -0.00 0.72 1.57 0.66 -2.27 0.00 0.00 179.45 180.13 1bld n TYR 120 N -4.58 2.68 0.00 1.91 4.01 -1.26 -4.73 117.16 115.19 1bld n TYR 120 Ca -0.06 -2.64 0.00 0.00 -0.16 0.00 0.00 57.90 55.03 1bld n TYR 120 Cb 0.36 -1.45 0.00 0.00 -0.31 0.00 0.00 39.34 37.93 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 0.65 0.50 0.80 -0.72 -2.24 -1.19 -0.69 114.28 111.39 1bld n THR 121 Ca 0.53 0.15 0.06 0.00 -2.27 0.00 0.00 64.05 62.52 1bld n THR 121 Cb 0.26 -1.15 0.16 0.00 -2.10 0.00 0.00 70.33 67.51 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 -1.07 2.02 -3.62 3.42 7.64 -1.26 -4.86 113.62 115.88 1bld n SER 122 Ca 0.00 -2.02 -0.14 0.00 1.01 0.00 0.00 58.87 57.72 1bld n SER 122 Cb 0.02 -0.26 -0.06 0.00 -1.01 0.00 0.00 64.21 62.90 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 -1.52 -0.39 0.40 1.43 0.51 0.13 -4.96 118.94 114.55 1bld s TRP 123 Ca 0.25 0.50 0.08 0.00 -2.12 0.00 0.00 56.10 54.80 1bld s TRP 123 Cb 0.13 0.28 -0.06 0.00 -0.81 0.00 0.00 33.47 33.01 1bld s TRP 123 CO 0.16 -0.58 0.07 0.71 -0.51 0.00 0.00 176.95 176.81 1bld s TYR 124 N -2.02 2.55 -0.08 -1.98 1.51 -1.26 -2.61 117.35 113.46 1bld s TYR 124 Ca -0.08 -0.59 -0.17 0.00 -1.01 0.00 0.00 57.07 55.22 1bld s TYR 124 Cb -0.01 -1.79 -0.05 0.00 -0.11 0.00 0.00 41.96 40.00 1bld s TYR 124 CO 0.01 0.36 0.43 0.08 -1.11 0.00 0.00 175.55 175.32 1bld s VAL 125 N -2.63 5.14 0.34 0.71 1.01 -1.03 -4.78 120.40 119.16 1bld s VAL 125 Ca 0.37 0.87 -0.05 0.00 0.00 0.00 0.00 61.98 63.17 1bld s VAL 125 Cb 0.06 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1bld s VAL 125 CO 0.20 0.42 0.51 0.00 0.00 0.00 0.00 175.10 176.23 1bld s ALA 126 N 0.05 0.47 0.15 5.51 0.00 -1.26 -4.67 121.76 122.01 1bld s ALA 126 Ca 0.24 -1.35 0.05 0.00 0.00 0.00 0.00 51.96 50.90 1bld s ALA 126 Cb -0.15 1.09 -0.04 0.00 0.00 0.00 0.00 23.12 24.01 1bld s ALA 126 CO 0.11 -0.82 -0.12 -0.51 0.00 0.00 0.00 175.76 174.42 1bld s LEU 127 N -3.19 2.50 0.56 0.00 1.43 -1.26 -2.97 118.68 115.75 1bld s LEU 127 Ca 0.28 -0.95 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 1bld s LEU 127 Cb -0.01 -0.46 0.04 0.00 0.03 0.00 0.00 46.19 45.79 1bld s LEU 127 CO 0.18 -0.25 0.79 -0.54 0.23 0.00 0.00 176.35 176.76 1bld s LYS 128 N -3.40 2.47 0.09 1.70 1.02 0.15 -4.71 119.74 117.07 1bld s LYS 128 Ca 0.15 -0.81 0.26 0.00 0.02 0.00 0.00 55.97 55.59 1bld s LYS 128 Cb -0.00 -2.48 1.02 0.00 -0.52 0.00 0.00 37.83 35.85 1bld s LYS 128 CO 0.02 -0.77 1.82 2.89 -0.92 0.00 0.00 175.35 178.39 1bld n ARG 129 N -2.38 0.10 -0.66 1.68 1.85 -1.26 -3.11 116.66 112.89 1bld n ARG 129 Ca 0.09 0.12 -0.07 0.00 -1.00 0.00 0.00 57.85 56.99 1bld n ARG 129 Cb 0.60 -1.63 0.16 0.00 -1.05 0.00 0.00 32.46 30.54 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 -1.81 2.06 -3.53 8.89 5.66 -1.26 -4.86 114.28 119.42 1bld n THR 130 Ca 0.06 -1.02 -0.19 0.00 -3.05 0.00 0.00 64.05 59.85 1bld n THR 130 Cb 0.35 -0.56 0.07 0.00 -1.55 0.00 0.00 70.33 68.64 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 -0.15 -0.33 3.22 1.09 0.00 -1.18 -5.00 105.19 102.84 1bld n GLY 131 Ca 0.28 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 46.29 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 -5.59 1.13 -0.25 1.61 -1.52 -1.26 -4.58 119.66 109.21 1bld s GLN 132 Ca 0.00 -1.57 -0.20 0.00 -1.95 0.00 0.00 55.36 51.64 1bld s GLN 132 Cb -0.00 0.01 -0.02 0.00 -0.22 0.00 0.00 33.01 32.78 1bld s GLN 132 CO 0.76 -0.26 0.60 1.52 -0.25 0.00 0.00 175.29 177.66 1bld s TYR 133 N -3.91 3.29 0.16 0.91 1.13 -1.26 -0.67 117.35 117.01 1bld s TYR 133 Ca 0.30 0.79 -0.30 0.00 -1.41 0.00 0.00 57.07 56.44 1bld s TYR 133 Cb 0.07 -2.80 -0.08 0.00 -1.10 0.00 0.00 41.96 38.05 1bld s TYR 133 CO 0.07 -0.29 1.33 0.21 -2.51 0.00 0.00 175.55 174.36 1bld s LYS 134 N 2.35 4.37 0.96 -3.49 2.20 -1.16 -4.83 119.74 120.15 1bld s LYS 134 Ca 0.25 2.05 -0.12 0.00 -0.36 0.00 0.00 55.97 57.79 1bld s LYS 134 Cb -0.16 -3.22 0.07 0.00 -1.51 0.00 0.00 37.83 33.01 1bld s LYS 134 CO 0.09 -0.32 0.54 -0.11 -0.36 0.00 0.00 175.35 175.19 1bld n LEU 135 N 3.16 0.33 0.00 5.43 7.94 -1.26 -4.69 117.00 127.91 1bld n LEU 135 Ca 0.08 0.31 0.15 0.00 -1.11 0.00 0.00 56.01 55.44 1bld n LEU 135 Cb 0.43 -1.25 0.87 0.00 0.53 0.00 0.00 43.42 44.00 1bld n LEU 135 CO 0.58 -3.31 1.04 0.61 -1.11 0.00 0.00 177.39 175.20 1bld n GLY 136 N 1.28 -0.96 0.13 -3.96 0.00 -1.25 -3.21 105.19 97.21 1bld n GLY 136 Ca 0.07 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.03 1.95 0.00 1.61 3.41 -1.26 -4.12 113.62 114.17 1bld n SER 137 Ca 0.21 0.29 0.09 0.00 -0.26 0.00 0.00 58.87 59.20 1bld n SER 137 Cb 0.12 -0.82 0.45 0.00 -0.26 0.00 0.00 64.21 63.70 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 -4.07 0.20 -1.92 4.33 5.02 -1.23 -4.77 118.16 115.72 1bld n LYS 138 Ca -0.42 0.13 -0.34 0.00 -2.02 0.00 0.00 58.31 55.66 1bld n LYS 138 Cb 0.85 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 34.39 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 -2.67 3.25 -5.00 -0.18 -4.23 -1.20 -4.97 115.64 100.64 1bld s THR 139 Ca 0.16 0.63 0.00 0.00 -1.18 0.00 0.00 61.69 61.30 1bld s THR 139 Cb 0.12 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.80 1bld s THR 139 CO 0.30 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 1bld n GLY 140 N -0.34 -1.35 1.35 3.99 0.00 -1.26 -4.78 105.19 102.80 1bld n GLY 140 Ca 0.11 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 1bld n GLY 140 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bld n PRO 141 N -1.38 -3.20 0.00 1.61 -0.02 -1.26 -3.60 135.00 127.15 1bld n PRO 141 Ca 0.00 -0.62 0.00 0.00 -2.02 0.00 0.00 63.50 60.86 1bld n PRO 141 Cb 0.00 -0.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 1bld n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bld n GLY 142 N -2.41 0.96 3.61 -1.23 0.00 -1.26 -4.88 105.19 99.98 1bld n GLY 142 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 4.03 0.00 1.61 -1.52 -1.24 -4.91 119.66 117.64 1bld s GLN 143 Ca 0.00 0.29 0.10 0.00 -1.95 0.00 0.00 55.36 53.80 1bld s GLN 143 Cb 0.00 -3.67 0.58 0.00 -0.22 0.00 0.00 33.01 29.70 1bld s GLN 143 CO 0.00 -0.39 1.05 1.63 -0.25 0.00 0.00 175.29 177.33 1bld n LYS 144 N 5.59 0.55 0.00 2.91 5.02 -1.26 -3.17 118.16 127.80 1bld n LYS 144 Ca -0.04 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.28 1bld n LYS 144 Cb 0.50 -1.27 0.10 0.00 -0.02 0.00 0.00 35.03 34.34 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 -0.77 1.25 1.29 7.82 0.00 -1.26 -0.66 120.51 128.18 1bld n ALA 145 Ca 0.07 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.63 1bld n ALA 145 Cb 0.03 -1.08 0.38 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.46 0.03 -3.03 0.00 -5.35 -1.19 -4.18 119.36 104.18 1bld n ILE 146 Ca 0.01 -0.35 -0.45 0.00 -0.27 0.00 0.00 62.75 61.70 1bld n ILE 146 Cb 0.05 0.79 -0.03 0.00 -1.74 0.00 0.00 39.64 38.71 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 -1.95 5.45 0.49 7.28 1.43 0.16 -4.49 118.68 127.06 1bld s LEU 147 Ca 0.35 -2.09 0.03 0.00 -1.03 0.00 0.00 54.13 51.39 1bld s LEU 147 Cb 0.20 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 44.10 1bld s LEU 147 CO 0.32 -0.97 0.69 -0.36 0.23 0.00 0.00 176.35 176.25 1bld s PHE 148 N 2.16 2.92 -0.41 0.29 0.40 -1.04 -3.21 117.98 119.09 1bld s PHE 148 Ca 0.27 -0.09 0.08 0.00 -0.60 0.00 0.00 56.93 56.59 1bld s PHE 148 Cb -0.08 -2.55 0.25 0.00 0.51 0.00 0.00 43.02 41.15 1bld s PHE 148 CO -0.07 -0.63 0.57 -0.11 0.70 0.00 0.00 175.22 175.68 1bld n LEU 149 N -2.13 -0.33 -4.59 -0.37 7.94 -0.68 -2.26 117.00 114.58 1bld n LEU 149 Ca 0.06 -4.46 -0.42 0.00 -1.11 0.00 0.00 56.01 50.09 1bld n LEU 149 Cb 0.59 0.67 -0.03 0.00 0.53 0.00 0.00 43.42 45.18 1bld n LEU 149 CO 0.44 2.05 1.81 -2.84 -1.11 0.00 0.00 177.39 177.74 1bld s PRO 150 N -0.85 2.95 -0.41 1.96 0.02 -1.26 -3.73 135.00 133.69 1bld s PRO 150 Ca 0.34 1.73 -0.19 0.00 0.02 0.00 0.00 61.00 62.90 1bld s PRO 150 Cb 0.17 -4.38 0.02 0.00 0.02 0.00 0.00 34.50 30.33 1bld s PRO 150 CO -0.13 -2.31 0.54 -1.64 -0.33 0.00 0.00 177.00 173.13 1bld s MET 151 N 6.61 3.30 0.47 5.54 -1.94 -1.00 -4.89 119.30 127.38 1bld s MET 151 Ca 0.94 -0.45 -0.23 0.00 -1.71 0.00 0.00 55.69 54.24 1bld s MET 151 Cb -0.27 -3.92 -0.07 0.00 2.01 0.00 0.00 34.83 32.58 1bld s MET 151 CO 0.32 -0.87 1.25 0.45 -0.01 0.00 0.00 175.02 176.16 1bld s SER 152 N 1.88 5.96 -1.00 3.03 0.15 -1.26 -3.16 113.70 119.30 1bld s SER 152 Ca 0.18 2.52 -0.07 0.00 0.70 0.00 0.00 55.95 59.29 1bld s SER 152 Cb -0.15 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.50 1bld s SER 152 CO 0.16 -1.08 2.89 0.00 1.20 0.00 0.00 173.24 176.41 1bld n ALA 153 N -0.47 6.91 -1.00 5.45 0.00 -1.14 -4.69 120.51 125.57 1bld n ALA 153 Ca 0.07 -3.28 0.00 0.00 0.00 0.00 0.00 53.44 50.24 1bld n ALA 153 Cb 0.46 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 17.15 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 2.30 0.00 0.00 0.00 5.02 -1.26 -4.96 118.16 119.26 1bld n LYS 154 Ca 0.61 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 1bld n LYS 154 Cb 0.43 -0.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.98 1bld n LYS 154 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33