#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 -2.10 -0.57 3.17 0.00 -1.26 -5.10 121.76 115.90 1bld s ALA 2 Ca 0.00 1.52 -0.22 0.00 0.00 0.00 0.00 51.96 53.26 1bld s ALA 2 Cb 0.00 -0.08 0.06 0.00 0.00 0.00 0.00 23.12 23.10 1bld s ALA 2 CO 0.00 -0.64 0.83 -1.21 0.00 0.00 0.00 175.76 174.74 1bld s GLU 3 N -2.40 3.18 0.00 0.00 2.02 -1.26 -4.89 118.70 115.35 1bld s GLU 3 Ca 0.10 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.38 1bld s GLU 3 Cb -0.00 -4.14 0.00 0.00 0.10 0.00 0.00 34.13 30.09 1bld s GLU 3 CO -0.04 -1.51 0.00 0.41 0.02 0.00 0.00 175.26 174.14 1bld n GLY 4 N 5.21 4.15 0.00 -1.39 0.00 -1.26 -5.07 105.19 106.83 1bld n GLY 4 Ca -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.73 0.00 -3.77 1.61 2.13 -1.26 -4.96 120.64 113.67 1bld n GLU 5 Ca 0.00 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.46 1bld n GLU 5 Cb 0.00 -0.17 -0.07 0.00 0.27 0.00 0.00 31.44 31.47 1bld n GLU 5 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 1bld s ILE 6 N 0.00 5.42 0.00 6.31 -4.36 -1.26 -5.09 121.20 122.22 1bld s ILE 6 Ca 0.00 0.28 0.00 0.00 -0.26 0.00 0.00 60.65 60.67 1bld s ILE 6 Cb 0.00 -3.47 0.00 0.00 1.25 0.00 0.00 42.46 40.24 1bld s ILE 6 CO 0.00 0.53 0.00 0.41 0.24 0.00 0.00 174.94 176.12 1bld n THR 7 N 2.68 0.00 -2.80 8.37 -1.04 -1.26 -4.73 114.28 115.51 1bld n THR 7 Ca -0.17 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.81 1bld n THR 7 Cb 0.53 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.02 1bld n THR 7 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1bld n THR 8 N -1.11 -8.97 -1.23 12.58 -1.04 -1.26 -4.81 114.28 108.44 1bld n THR 8 Ca 0.00 1.75 -0.37 0.00 -2.04 0.00 0.00 64.05 63.39 1bld n THR 8 Cb 0.00 -5.36 0.04 0.00 -1.82 0.00 0.00 70.33 63.19 1bld n THR 8 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1bld n LEU 9 N 1.66 -2.05 -4.15 -4.42 4.77 -1.26 -4.68 117.00 106.86 1bld n LEU 9 Ca -0.20 0.56 -0.27 0.00 -0.03 0.00 0.00 56.01 56.06 1bld n LEU 9 Cb 0.37 -1.00 0.16 0.00 -2.33 0.00 0.00 43.42 40.62 1bld n LEU 9 CO 0.28 -4.25 -0.41 -2.65 -1.33 0.00 0.00 177.39 169.04 1bld n PRO 10 N 0.72 -1.89 -1.47 3.23 -0.02 -1.26 -4.83 135.00 129.48 1bld n PRO 10 Ca 0.07 -0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.01 1bld n PRO 10 Cb 0.50 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 1bld n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bld n ALA 11 N -4.42 0.00 -3.15 3.55 0.00 -1.26 -5.03 120.51 110.20 1bld n ALA 11 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.25 1bld n ALA 11 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 1bld n ALA 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bld n LEU 12 N 0.00 -0.25 -4.62 0.00 4.77 -1.26 -4.97 117.00 110.66 1bld n LEU 12 Ca 0.00 -4.50 -0.43 0.00 -0.03 0.00 0.00 56.01 51.06 1bld n LEU 12 Cb 0.00 0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 41.72 1bld n LEU 12 CO 0.00 2.05 1.55 -2.16 -1.33 0.00 0.00 177.39 177.49 1bld s PRO 13 N -0.86 3.64 -0.07 3.23 0.05 -1.26 -4.22 135.00 135.50 1bld s PRO 13 Ca 0.34 1.89 -0.05 0.00 0.05 0.00 0.00 61.00 63.23 1bld s PRO 13 Cb 0.17 -4.16 0.02 0.00 0.05 0.00 0.00 34.50 30.58 1bld s PRO 13 CO -0.13 -1.50 0.10 -1.91 0.05 0.00 0.00 177.00 173.61 1bld n GLU 14 N 8.00 -2.15 -0.09 4.56 2.13 -1.26 -4.71 120.64 127.12 1bld n GLU 14 Ca 0.22 1.88 0.26 0.00 0.66 0.00 0.00 57.16 60.18 1bld n GLU 14 Cb 0.45 -2.80 0.63 0.00 0.27 0.00 0.00 31.44 29.98 1bld n GLU 14 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1bld h ASP 15 N 1.87 0.00 -6.20 4.31 5.19 -2.04 -3.45 116.42 116.11 1bld h ASP 15 Ca -0.23 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 55.89 1bld h ASP 15 Cb 0.52 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.04 1bld h ASP 15 CO 0.00 0.00 -0.84 0.61 -3.12 0.00 0.00 179.24 175.89 1bld n GLY 16 N -1.62 -0.82 3.15 2.75 0.00 -1.26 -4.99 105.19 102.40 1bld n GLY 16 Ca 0.17 0.88 0.05 0.00 0.00 0.00 0.00 46.02 47.11 1bld n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bld s GLY 17 N -2.44 -0.65 -0.36 -0.02 0.00 -1.26 -5.06 107.32 97.53 1bld s GLY 17 Ca 0.17 2.33 0.05 0.00 0.00 0.00 0.00 44.72 47.26 1bld s GLY 17 CO 0.84 3.67 1.25 -1.14 0.00 0.00 0.00 173.10 177.73 1bld n SER 18 N 5.43 -1.52 0.00 1.64 3.41 -1.26 -5.06 113.62 116.27 1bld n SER 18 Ca -0.03 -2.25 0.00 0.00 -0.26 0.00 0.00 58.87 56.33 1bld n SER 18 Cb 0.53 1.25 0.00 0.00 -0.26 0.00 0.00 64.21 65.73 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 0.03 -1.01 0.00 5.00 0.00 -1.26 -5.09 105.19 102.86 1bld n GLY 19 Ca -0.09 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1bld n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bld n ALA 20 N 0.00 0.00 -2.91 4.61 0.00 -1.26 -5.09 120.51 115.85 1bld n ALA 20 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1bld n ALA 20 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 0.00 -2.09 -0.79 0.00 3.01 -1.26 -5.00 117.46 111.32 1bld n PHE 21 Ca 0.00 -2.52 -0.29 0.00 1.01 0.00 0.00 57.45 55.65 1bld n PHE 21 Cb 0.00 0.84 0.21 0.00 -0.01 0.00 0.00 39.48 40.52 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 -0.20 -0.15 0.72 -1.08 0.05 -1.26 -4.89 135.00 128.19 1bld s PRO 22 Ca 0.32 0.84 -0.16 0.00 0.05 0.00 0.00 61.00 62.05 1bld s PRO 22 Cb 0.23 -1.64 0.02 0.00 0.05 0.00 0.00 34.50 33.16 1bld s PRO 22 CO -0.16 -3.21 1.17 -0.35 0.05 0.00 0.00 177.00 174.50 1bld n PRO 23 N -4.55 0.65 0.00 0.56 -0.04 -1.26 -4.42 135.00 125.94 1bld n PRO 23 Ca 0.05 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 1bld n PRO 23 Cb 0.55 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 1bld n PRO 23 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bld n GLY 24 N 0.87 3.29 0.91 0.55 0.00 -1.26 -4.93 105.19 104.61 1bld n GLY 24 Ca 0.14 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.12 1.61 8.25 -1.26 -3.02 115.22 118.67 1bld n HIS 25 Ca 0.00 -0.31 0.05 0.00 -0.26 0.00 0.00 57.72 57.20 1bld n HIS 25 Cb 0.00 -0.19 0.10 0.00 1.12 0.00 0.00 29.99 31.02 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 0.53 0.00 0.53 4.41 3.72 -1.26 -4.76 117.46 120.63 1bld n PHE 26 Ca 0.00 -0.89 0.11 0.00 -0.05 0.00 0.00 57.45 56.62 1bld n PHE 26 Cb 0.34 -0.19 -0.02 0.00 -0.94 0.00 0.00 39.48 38.68 1bld n PHE 26 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1bld n LYS 27 N -0.17 0.31 -3.74 -1.08 2.85 -1.17 -4.95 118.16 110.21 1bld n LYS 27 Ca 0.11 -0.02 -0.13 0.00 -1.05 0.00 0.00 58.31 57.22 1bld n LYS 27 Cb 0.96 -1.58 -0.08 0.00 -0.65 0.00 0.00 35.03 33.67 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 -3.95 -0.18 1.27 -5.58 1.01 -1.26 -5.15 116.67 102.82 1bld s ASP 28 Ca 0.03 -0.03 -0.19 0.00 0.71 0.00 0.00 52.55 53.07 1bld s ASP 28 Cb 0.14 0.35 0.28 0.00 1.01 0.00 0.00 42.92 44.70 1bld s ASP 28 CO 0.82 -0.54 0.68 -2.65 0.21 0.00 0.00 175.17 173.68 1bld n PRO 29 N 0.90 -3.35 -4.12 8.23 -0.01 -1.26 -4.77 135.00 130.63 1bld n PRO 29 Ca -0.20 -0.98 -0.14 0.00 -0.01 0.00 0.00 63.50 62.18 1bld n PRO 29 Cb 0.58 -1.86 -0.06 0.00 -0.01 0.00 0.00 33.50 32.14 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 -4.34 1.68 -0.06 -0.52 1.02 -1.13 -3.28 119.74 113.10 1bld s LYS 30 Ca 0.60 -1.66 0.01 0.00 0.02 0.00 0.00 55.97 54.95 1bld s LYS 30 Cb -0.15 0.40 0.02 0.00 -0.52 0.00 0.00 37.83 37.58 1bld s LYS 30 CO 0.56 -0.67 -0.08 1.03 -0.92 0.00 0.00 175.35 175.27 1bld s ARG 31 N -3.52 1.34 -0.44 1.68 0.52 -1.06 -3.17 118.95 114.30 1bld s ARG 31 Ca 0.32 -0.27 -0.26 0.00 -0.52 0.00 0.00 55.73 55.00 1bld s ARG 31 Cb 0.01 -1.22 0.02 0.00 0.52 0.00 0.00 34.95 34.29 1bld s ARG 31 CO 0.17 -0.06 0.94 -0.51 0.02 0.00 0.00 175.30 175.86 1bld s LEU 32 N 0.94 3.97 -0.34 2.53 1.43 -1.26 -2.40 118.68 123.55 1bld s LEU 32 Ca -0.10 0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 53.13 1bld s LEU 32 Cb -0.15 -3.24 -0.01 0.00 0.03 0.00 0.00 46.19 42.83 1bld s LEU 32 CO 0.01 -1.03 0.22 -0.47 0.23 0.00 0.00 176.35 175.31 1bld s TYR 33 N 3.75 3.22 -0.50 0.29 5.04 -1.25 -2.20 117.35 125.70 1bld s TYR 33 Ca 0.38 -0.39 -0.25 0.00 -2.44 0.00 0.00 57.07 54.36 1bld s TYR 33 Cb -0.10 -2.45 0.03 0.00 0.35 0.00 0.00 41.96 39.79 1bld s TYR 33 CO 0.25 -0.43 0.96 0.00 -1.34 0.00 0.00 175.55 175.00 1bld h LYS 35 N 9.21 0.00 -6.44 0.00 3.11 -1.87 -1.59 116.57 118.99 1bld h LYS 35 Ca -0.25 0.00 -0.55 0.00 -2.81 0.00 0.00 60.65 57.05 1bld h LYS 35 Cb 1.07 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 32.24 1bld h LYS 35 CO 1.07 0.00 1.07 -0.80 -2.81 0.00 0.00 179.45 177.98 1bld s ASN 36 N -4.83 6.19 0.00 4.20 0.02 -1.26 -3.15 114.94 116.11 1bld s ASN 36 Ca -0.04 0.21 0.00 0.00 -1.02 0.00 0.00 52.86 52.01 1bld s ASN 36 Cb 0.13 -2.55 0.00 0.00 0.02 0.00 0.00 41.25 38.85 1bld s ASN 36 CO 0.44 -1.67 0.00 0.61 0.02 0.00 0.00 177.10 176.50 1bld n GLY 37 N 5.23 0.40 3.44 0.66 0.00 -1.26 -3.98 105.19 109.68 1bld n GLY 37 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.62 -0.91 3.26 -0.02 0.00 -0.64 -4.97 105.19 100.30 1bld n GLY 38 Ca 0.00 0.82 -0.32 0.00 0.00 0.00 0.00 46.02 46.51 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 -2.54 2.64 -0.38 1.61 0.08 -0.94 -4.60 117.98 113.84 1bld s PHE 39 Ca 0.14 -0.94 -0.20 0.00 0.12 0.00 0.00 56.93 56.05 1bld s PHE 39 Cb -0.02 -1.75 0.01 0.00 -0.57 0.00 0.00 43.02 40.69 1bld s PHE 39 CO 0.84 -0.36 0.61 -0.06 -0.10 0.00 0.00 175.22 176.15 1bld s PHE 40 N 0.35 3.13 0.17 0.36 0.40 -0.03 -1.07 117.98 121.29 1bld s PHE 40 Ca -0.16 0.17 -0.33 0.00 -0.60 0.00 0.00 56.93 56.01 1bld s PHE 40 Cb -0.17 -3.16 -0.16 0.00 0.51 0.00 0.00 43.02 40.04 1bld s PHE 40 CO 0.08 -0.69 1.21 -0.11 0.70 0.00 0.00 175.22 176.42 1bld n LEU 41 N 6.04 1.71 -3.69 -0.37 7.94 -0.93 -2.30 117.00 125.40 1bld n LEU 41 Ca -0.02 1.14 -0.17 0.00 -1.11 0.00 0.00 56.01 55.85 1bld n LEU 41 Cb 0.48 -1.23 -0.16 0.00 0.53 0.00 0.00 43.42 43.04 1bld n LEU 41 CO 0.50 -1.18 -0.26 -0.60 -1.11 0.00 0.00 177.39 174.73 1bld s ARG 42 N -0.25 0.02 -0.10 1.96 3.52 -0.51 -4.68 118.95 118.91 1bld s ARG 42 Ca 0.74 0.46 -0.15 0.00 -0.13 0.00 0.00 55.73 56.65 1bld s ARG 42 Cb -0.84 -0.30 -0.05 0.00 -1.56 0.00 0.00 34.95 32.20 1bld s ARG 42 CO 0.51 -0.27 0.36 0.42 -0.81 0.00 0.00 175.30 175.51 1bld s ILE 43 N 1.93 5.21 0.27 4.11 1.01 -1.26 -2.47 121.20 129.99 1bld s ILE 43 Ca -0.00 0.71 -0.10 0.00 0.00 0.00 0.00 60.65 61.26 1bld s ILE 43 Cb -0.12 -3.68 -0.07 0.00 0.01 0.00 0.00 42.46 38.60 1bld s ILE 43 CO -0.05 0.45 0.60 -1.00 0.00 0.00 0.00 174.94 174.93 1bld s HIS 44 N -0.07 3.43 0.39 3.97 3.76 -0.66 -4.84 115.29 121.27 1bld s HIS 44 Ca 0.21 0.90 0.31 0.00 -0.15 0.00 0.00 55.06 56.33 1bld s HIS 44 Cb -0.15 -2.29 1.71 0.00 1.11 0.00 0.00 32.58 32.97 1bld s HIS 44 CO 0.08 0.19 1.95 -1.35 -0.85 0.00 0.00 174.74 174.77 1bld h PRO 45 N 2.23 0.00 0.00 8.40 0.10 -1.92 0.16 132.00 140.98 1bld h PRO 45 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.63 1bld h PRO 45 Cb 1.18 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.28 1bld h PRO 45 CO 0.68 0.00 0.00 -0.40 0.10 0.00 0.00 178.00 178.38 1bld n ASP 46 N -2.71 0.00 0.00 -2.05 5.68 -1.26 -4.84 116.55 111.37 1bld n ASP 46 Ca -0.02 0.24 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 1bld n ASP 46 Cb 0.18 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.76 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 0.68 0.84 3.95 6.12 0.00 0.58 -4.95 105.19 112.41 1bld n GLY 47 Ca 0.08 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 1bld n GLY 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bld s ARG 48 N -0.67 3.20 -0.08 1.61 1.81 -1.22 -1.14 118.95 122.46 1bld s ARG 48 Ca 0.00 -0.47 0.01 0.00 -1.72 0.00 0.00 55.73 53.55 1bld s ARG 48 Cb 0.00 -2.61 0.02 0.00 -0.45 0.00 0.00 34.95 31.91 1bld s ARG 48 CO 0.00 -0.11 -0.10 0.08 -0.68 0.00 0.00 175.30 174.49 1bld s VAL 49 N -2.45 1.03 -0.04 3.52 1.01 -1.26 -1.65 120.40 120.55 1bld s VAL 49 Ca 0.45 -0.37 -0.26 0.00 0.00 0.00 0.00 61.98 61.80 1bld s VAL 49 Cb -0.10 -0.98 0.05 0.00 0.00 0.00 0.00 36.38 35.35 1bld s VAL 49 CO 0.37 0.34 0.56 1.51 0.00 0.00 0.00 175.10 177.88 1bld s ASP 50 N 1.04 -0.51 0.29 3.32 -4.77 -1.03 -4.48 116.67 110.54 1bld s ASP 50 Ca -0.08 0.51 -0.10 0.00 -3.30 0.00 0.00 52.55 49.59 1bld s ASP 50 Cb -0.15 0.47 -0.07 0.00 -1.09 0.00 0.00 42.92 42.08 1bld s ASP 50 CO -0.01 -0.56 0.63 -0.83 0.70 0.00 0.00 175.17 175.10 1bld s GLY 51 N -1.23 2.14 -0.05 2.12 0.00 -0.62 -1.43 107.32 108.25 1bld s GLY 51 Ca -0.12 -0.26 -0.12 0.00 0.00 0.00 0.00 44.72 44.23 1bld s GLY 51 CO 0.08 -0.10 0.28 -1.34 0.00 0.00 0.00 173.10 172.02 1bld s VAL 52 N -2.01 0.04 -2.00 1.40 -7.23 -0.97 -4.59 120.40 105.04 1bld s VAL 52 Ca 0.49 -0.33 0.24 0.00 -1.81 0.00 0.00 61.98 60.57 1bld s VAL 52 Cb -0.11 -0.51 0.68 0.00 0.56 0.00 0.00 36.38 37.01 1bld s VAL 52 CO 0.24 -0.18 1.84 0.54 -0.31 0.00 0.00 175.10 177.23 1bld n ARG 53 N 1.94 0.85 -2.26 4.82 1.74 -1.26 -0.85 116.66 121.63 1bld n ARG 53 Ca -0.18 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.57 1bld n ARG 53 Cb 0.57 -1.44 -0.04 0.00 -1.02 0.00 0.00 32.46 30.52 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 3.01 -0.13 5.56 0.41 -1.26 -4.78 118.70 119.51 1bld s GLU 54 Ca 0.36 -0.80 0.01 0.00 -0.41 0.00 0.00 54.97 54.12 1bld s GLU 54 Cb 0.17 -5.22 0.15 0.00 -1.78 0.00 0.00 34.13 27.45 1bld s GLU 54 CO 0.28 -2.96 1.50 0.36 -0.49 0.00 0.00 175.26 173.94 1bld n LYS 55 N 8.77 1.36 -0.66 1.61 2.85 -1.26 -3.50 118.16 127.32 1bld n LYS 55 Ca 0.39 -0.79 0.00 0.00 -1.05 0.00 0.00 58.31 56.86 1bld n LYS 55 Cb 0.48 -1.31 0.00 0.00 -0.65 0.00 0.00 35.03 33.55 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 0.35 0.11 -4.66 -5.58 7.64 -1.26 -4.55 113.62 105.67 1bld n SER 56 Ca 0.16 -1.85 -0.38 0.00 1.01 0.00 0.00 58.87 57.80 1bld n SER 56 Cb 0.71 -0.17 -0.08 0.00 -1.01 0.00 0.00 64.21 63.67 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 -1.00 6.40 0.00 6.43 1.11 -1.23 -4.92 116.67 123.47 1bld s ASP 57 Ca 0.05 0.47 0.01 0.00 0.18 0.00 0.00 52.55 53.27 1bld s ASP 57 Cb 0.06 -2.23 0.09 0.00 1.07 0.00 0.00 42.92 41.91 1bld s ASP 57 CO -0.03 -0.09 0.49 -0.81 1.18 0.00 0.00 175.17 175.92 1bld n PRO 58 N 4.61 0.05 0.02 8.23 -0.04 -1.26 -0.93 135.00 145.69 1bld n PRO 58 Ca -0.08 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.49 1bld n PRO 58 Cb 0.51 -1.41 0.04 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.91 0.22 1.82 0.54 8.25 -1.26 -3.90 115.22 119.98 1bld n HIS 59 Ca 0.01 0.06 0.01 0.00 -0.26 0.00 0.00 57.72 57.55 1bld n HIS 59 Cb 0.00 -0.39 0.05 0.00 1.12 0.00 0.00 29.99 30.78 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 -1.88 0.07 -3.07 1.59 -5.35 -0.10 -4.34 119.36 106.27 1bld n ILE 60 Ca 0.02 -0.08 -0.45 0.00 -0.27 0.00 0.00 62.75 61.98 1bld n ILE 60 Cb 0.42 0.03 -0.02 0.00 -1.74 0.00 0.00 39.64 38.33 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 -1.93 3.74 -0.02 6.28 1.02 -1.25 -4.56 119.74 123.02 1bld s LYS 61 Ca 0.05 -2.22 -0.19 0.00 0.02 0.00 0.00 55.97 53.63 1bld s LYS 61 Cb 0.03 -4.78 -0.05 0.00 -0.52 0.00 0.00 37.83 32.50 1bld s LYS 61 CO 0.04 -1.60 0.54 -0.51 -0.92 0.00 0.00 175.35 172.90 1bld s LEU 62 N 1.47 4.41 -0.44 3.17 1.43 -1.19 -3.50 118.68 124.03 1bld s LEU 62 Ca 0.30 1.07 -0.22 0.00 -1.03 0.00 0.00 54.13 54.26 1bld s LEU 62 Cb -0.06 -2.83 0.02 0.00 0.03 0.00 0.00 46.19 43.35 1bld s LEU 62 CO -0.08 0.13 0.72 -1.58 0.23 0.00 0.00 176.35 175.78 1bld s GLN 63 N -0.24 3.38 -0.29 1.70 2.00 0.18 -2.85 119.66 123.54 1bld s GLN 63 Ca 0.29 -0.19 -0.18 0.00 -2.00 0.00 0.00 55.36 53.28 1bld s GLN 63 Cb -0.17 -3.93 -0.02 0.00 0.80 0.00 0.00 33.01 29.68 1bld s GLN 63 CO 0.15 -1.05 0.50 -0.51 -0.50 0.00 0.00 175.29 173.88 1bld s LEU 64 N 3.08 4.13 0.01 3.68 1.02 -1.26 -1.67 118.68 127.66 1bld s LEU 64 Ca 0.27 0.34 -0.01 0.00 0.02 0.00 0.00 54.13 54.75 1bld s LEU 64 Cb -0.13 -2.62 -0.04 0.00 0.02 0.00 0.00 46.19 43.42 1bld s LEU 64 CO 0.21 -0.34 0.14 -1.58 0.02 0.00 0.00 176.35 174.80 1bld s GLN 65 N 2.32 3.25 0.07 1.70 0.74 0.55 -4.83 119.66 123.46 1bld s GLN 65 Ca 0.20 -0.43 -0.20 0.00 0.05 0.00 0.00 55.36 54.98 1bld s GLN 65 Cb -0.16 -2.97 -0.07 0.00 1.10 0.00 0.00 33.01 30.92 1bld s GLN 65 CO 0.11 0.65 0.58 0.00 -0.55 0.00 0.00 175.29 176.08 1bld s ALA 66 N -1.30 3.57 -0.07 1.58 0.00 -1.26 0.32 121.76 124.59 1bld s ALA 66 Ca 0.26 0.05 -0.09 0.00 0.00 0.00 0.00 51.96 52.19 1bld s ALA 66 Cb -0.12 -2.66 0.02 0.00 0.00 0.00 0.00 23.12 20.35 1bld s ALA 66 CO 0.18 0.37 0.23 -2.00 0.00 0.00 0.00 175.76 174.54 1bld s GLU 67 N -1.00 0.34 0.54 0.00 2.12 -1.03 -4.81 118.70 114.86 1bld s GLU 67 Ca 0.30 0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.82 1bld s GLU 67 Cb -0.20 0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.35 1bld s GLU 67 CO 0.19 -0.06 0.00 0.39 -0.54 0.00 0.00 175.26 175.25 1bld n GLU 68 N 2.63 -0.52 -3.53 4.30 1.02 -1.26 -3.42 120.64 119.85 1bld n GLU 68 Ca -0.15 0.34 -0.41 0.00 -0.02 0.00 0.00 57.16 56.93 1bld n GLU 68 Cb 0.58 -0.64 -0.11 0.00 -0.02 0.00 0.00 31.44 31.25 1bld n GLU 68 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1bld s ARG 69 N -0.65 3.25 0.00 3.49 3.00 -1.26 -4.22 118.95 122.56 1bld s ARG 69 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 55.73 54.92 1bld s ARG 69 Cb 0.00 -3.82 0.00 0.00 0.00 0.00 0.00 34.95 31.13 1bld s ARG 69 CO 0.00 -0.56 0.00 0.41 0.00 0.00 0.00 175.30 175.15 1bld n GLY 70 N 5.10 1.18 3.12 -3.53 0.00 -1.26 -5.08 105.19 104.71 1bld n GLY 70 Ca -0.12 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.00 0.11 -0.07 1.61 1.01 -1.22 -4.13 120.40 115.70 1bld s VAL 71 Ca 0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 1bld s VAL 71 Cb 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.73 1bld s VAL 71 CO 0.00 -0.48 0.17 0.68 0.00 0.00 0.00 175.10 175.47 1bld s VAL 72 N -2.03 -0.03 -0.28 2.92 -7.23 -1.26 -2.46 120.40 110.03 1bld s VAL 72 Ca -0.10 0.11 -0.18 0.00 -1.81 0.00 0.00 61.98 60.00 1bld s VAL 72 Cb -0.04 -0.27 -0.02 0.00 0.56 0.00 0.00 36.38 36.61 1bld s VAL 72 CO -0.02 0.05 0.54 -0.44 -0.31 0.00 0.00 175.10 174.92 1bld s SER 73 N 0.82 6.43 0.04 4.85 0.01 0.15 -4.16 113.70 121.85 1bld s SER 73 Ca -0.06 0.43 -0.19 0.00 1.31 0.00 0.00 55.95 57.44 1bld s SER 73 Cb -0.08 -2.29 -0.06 0.00 0.21 0.00 0.00 66.02 63.80 1bld s SER 73 CO -0.04 -0.35 0.55 -0.63 0.41 0.00 0.00 173.24 173.17 1bld s ILE 74 N 2.39 4.83 -0.10 1.44 1.01 -1.26 -0.33 121.20 129.18 1bld s ILE 74 Ca 0.22 1.16 -0.09 0.00 0.00 0.00 0.00 60.65 61.94 1bld s ILE 74 Cb -0.15 -3.87 0.03 0.00 0.01 0.00 0.00 42.46 38.47 1bld s ILE 74 CO 0.10 0.52 0.25 -0.75 0.00 0.00 0.00 174.94 175.07 1bld s LYS 75 N -0.86 0.29 0.20 2.79 2.20 -0.67 -3.68 119.74 120.01 1bld s LYS 75 Ca 0.28 0.36 -0.23 0.00 -0.36 0.00 0.00 55.97 56.03 1bld s LYS 75 Cb -0.19 0.13 -0.08 0.00 -1.51 0.00 0.00 37.83 36.19 1bld s LYS 75 CO 0.17 -0.04 0.76 0.20 -0.36 0.00 0.00 175.35 176.08 1bld s GLY 76 N 0.18 2.77 0.00 5.54 0.00 -0.38 0.51 107.32 115.94 1bld s GLY 76 Ca -0.00 0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.99 1bld s GLY 76 CO -0.00 0.71 0.07 -0.62 0.00 0.00 0.00 173.10 173.26 1bld n VAL 77 N 1.13 0.00 -0.13 1.40 0.31 -1.23 -2.14 118.33 117.68 1bld n VAL 77 Ca -0.04 0.45 -0.09 0.00 -0.01 0.00 0.00 64.34 64.65 1bld n VAL 77 Cb 0.50 -1.23 -0.01 0.00 -0.91 0.00 0.00 33.84 32.19 1bld n VAL 77 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1bld h SER 78 N 0.00 0.53 0.08 4.52 0.02 -1.86 -2.07 113.55 114.77 1bld h SER 78 Ca 0.00 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 1bld h SER 78 Cb 0.00 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 1bld h SER 78 CO 0.00 0.58 -0.05 0.00 -1.14 0.00 0.00 176.83 176.22 1bld h ALA 79 N 0.98 1.66 -6.30 3.77 0.00 -1.89 -3.46 119.26 114.02 1bld h ALA 79 Ca 0.12 -0.04 -0.46 0.00 0.00 0.00 0.00 54.91 54.53 1bld h ALA 79 Cb 0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1bld h ALA 79 CO -0.01 0.06 -0.86 0.09 0.00 0.00 0.00 179.25 178.53 1bld n ASN 80 N -4.10 -0.76 -3.84 0.00 3.02 -0.78 -4.94 115.26 103.86 1bld n ASN 80 Ca -0.03 -0.92 -0.12 0.00 -0.03 0.00 0.00 54.58 53.49 1bld n ASN 80 Cb 0.13 -3.53 -0.10 0.00 -0.61 0.00 0.00 39.78 35.68 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 -6.27 0.53 -0.10 3.52 0.52 -1.24 -4.50 118.95 111.41 1bld s ARG 81 Ca 0.01 -0.36 -0.14 0.00 -0.52 0.00 0.00 55.73 54.72 1bld s ARG 81 Cb -0.00 0.23 -0.05 0.00 0.52 0.00 0.00 34.95 35.64 1bld s ARG 81 CO 0.85 -0.13 0.33 0.71 0.02 0.00 0.00 175.30 177.08 1bld s TYR 82 N -1.39 3.56 0.39 -0.53 1.51 0.56 -1.24 117.35 120.21 1bld s TYR 82 Ca -0.14 0.74 -0.27 0.00 -1.01 0.00 0.00 57.07 56.39 1bld s TYR 82 Cb -0.07 -2.30 -0.09 0.00 -0.11 0.00 0.00 41.96 39.39 1bld s TYR 82 CO 0.02 0.42 1.33 -1.17 -1.11 0.00 0.00 175.55 175.04 1bld s LEU 83 N -0.17 4.26 -0.03 -1.29 2.96 -1.24 -2.24 118.68 120.93 1bld s LEU 83 Ca 0.20 2.73 -0.15 0.00 -0.22 0.00 0.00 54.13 56.68 1bld s LEU 83 Cb -0.14 -3.82 0.03 0.00 0.50 0.00 0.00 46.19 42.75 1bld s LEU 83 CO 0.07 -0.81 0.33 0.00 -1.32 0.00 0.00 176.35 174.63 1bld s ALA 84 N -1.21 -0.84 -0.15 5.97 0.00 -0.20 -4.13 121.76 121.20 1bld s ALA 84 Ca 0.55 0.47 -0.05 0.00 0.00 0.00 0.00 51.96 52.93 1bld s ALA 84 Cb -0.40 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1bld s ALA 84 CO 0.52 -0.25 0.01 1.41 0.00 0.00 0.00 175.76 177.45 1bld s MET 85 N -1.10 3.60 0.07 0.00 1.75 -1.12 -2.04 119.30 120.45 1bld s MET 85 Ca -0.11 -0.41 -0.01 0.00 -1.25 0.00 0.00 55.69 53.90 1bld s MET 85 Cb -0.05 -3.00 0.02 0.00 2.84 0.00 0.00 34.83 34.64 1bld s MET 85 CO 0.04 0.39 0.07 1.63 -0.65 0.00 0.00 175.02 176.50 1bld n LYS 86 N 3.11 -0.87 0.00 4.11 4.76 -0.61 -4.83 118.16 123.84 1bld n LYS 86 Ca -0.17 -0.11 -0.17 0.00 -2.87 0.00 0.00 58.31 54.99 1bld n LYS 86 Cb 0.53 -0.09 -0.12 0.00 -1.84 0.00 0.00 35.03 33.50 1bld n LYS 86 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1bld h GLU 87 N 0.00 0.30 0.00 1.97 5.08 -1.99 -3.41 114.58 116.53 1bld h GLU 87 Ca -0.02 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1bld h GLU 87 Cb 0.07 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1bld h GLU 87 CO 0.02 1.08 0.00 -0.40 -1.00 0.00 0.00 179.01 178.71 1bld n ASP 88 N -4.30 0.00 -0.45 1.42 5.75 -1.26 -4.93 116.55 112.78 1bld n ASP 88 Ca -0.11 0.18 -0.01 0.00 -0.01 0.00 0.00 54.79 54.83 1bld n ASP 88 Cb 0.65 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.73 1bld n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bld n GLY 89 N 1.14 0.21 3.67 6.12 0.00 -1.26 -4.70 105.19 110.36 1bld n GLY 89 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 4.23 -0.16 1.61 1.81 -1.26 -2.62 118.95 122.55 1bld s ARG 90 Ca 0.00 0.59 -0.16 0.00 -1.72 0.00 0.00 55.73 54.44 1bld s ARG 90 Cb 0.00 -3.56 -0.04 0.00 -0.45 0.00 0.00 34.95 30.90 1bld s ARG 90 CO 0.00 -0.19 0.39 -0.51 -0.68 0.00 0.00 175.30 174.32 1bld s LEU 91 N 1.73 4.23 0.00 2.53 1.02 -1.26 -1.57 118.68 125.36 1bld s LEU 91 Ca 0.28 0.63 0.00 0.00 0.02 0.00 0.00 54.13 55.06 1bld s LEU 91 Cb -0.16 -2.53 0.00 0.00 0.02 0.00 0.00 46.19 43.52 1bld s LEU 91 CO 0.11 0.01 0.16 0.00 0.02 0.00 0.00 176.35 176.65 1bld n LEU 92 N 3.87 0.00 -4.00 1.79 -0.00 -0.87 -4.16 117.00 113.63 1bld n LEU 92 Ca -0.09 -1.07 -0.09 0.00 -0.00 0.00 0.00 56.01 54.76 1bld n LEU 92 Cb 0.52 0.87 -0.11 0.00 -0.00 0.00 0.00 43.42 44.70 1bld n LEU 92 CO 0.41 -0.23 -0.35 0.00 -0.00 0.00 0.00 177.39 177.22 1bld s ALA 93 N -2.11 0.20 0.04 1.47 0.00 -0.29 -1.03 121.76 120.03 1bld s ALA 93 Ca 0.11 -0.73 -0.09 0.00 0.00 0.00 0.00 51.96 51.25 1bld s ALA 93 Cb -0.00 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1bld s ALA 93 CO 0.08 -0.22 0.19 0.45 0.00 0.00 0.00 175.76 176.27 1bld s SER 94 N -1.83 0.04 0.32 0.00 0.15 -0.95 -4.72 113.70 106.72 1bld s SER 94 Ca -0.10 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1bld s SER 94 Cb -0.05 0.29 0.53 0.00 -1.71 0.00 0.00 66.02 65.08 1bld s SER 94 CO -0.03 -0.56 1.95 0.11 1.20 0.00 0.00 173.24 175.91 1bld h LYS 95 N 3.43 0.88 -6.39 5.44 1.57 -1.89 0.16 116.57 119.77 1bld h LYS 95 Ca -0.32 -0.09 -0.54 0.00 -1.87 0.00 0.00 60.65 57.83 1bld h LYS 95 Cb 1.19 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 1bld h LYS 95 CO 0.49 0.64 0.15 -1.54 -0.57 0.00 0.00 179.45 178.61 1bld s SER 96 N -6.47 7.28 -0.29 0.86 1.04 -1.26 -4.56 113.70 110.30 1bld s SER 96 Ca -0.10 1.52 -0.21 0.00 0.48 0.00 0.00 55.95 57.63 1bld s SER 96 Cb 0.17 -2.47 -0.01 0.00 0.10 0.00 0.00 66.02 63.81 1bld s SER 96 CO 0.78 0.13 0.67 0.54 0.98 0.00 0.00 173.24 176.34 1bld s VAL 97 N -0.65 4.91 0.00 5.02 0.11 -1.26 -4.68 120.40 123.85 1bld s VAL 97 Ca 0.36 1.03 0.00 0.00 -2.93 0.00 0.00 61.98 60.44 1bld s VAL 97 Cb -0.22 -4.02 0.00 0.00 -1.53 0.00 0.00 36.38 30.61 1bld s VAL 97 CO 0.24 -0.12 0.00 0.35 -3.33 0.00 0.00 175.10 172.24 1bld n THR 98 N 5.37 0.00 0.07 5.04 -2.24 -1.26 -5.00 114.28 116.25 1bld n THR 98 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1bld n THR 98 Cb 0.49 -1.30 -0.12 0.00 -2.10 0.00 0.00 70.33 67.29 1bld n THR 98 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1bld h ASP 99 N 0.00 0.06 0.00 3.42 5.19 -1.98 -3.14 116.42 119.98 1bld h ASP 99 Ca 0.00 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1bld h ASP 99 Cb 0.00 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.49 1bld h ASP 99 CO 0.00 1.05 0.00 -0.62 -3.12 0.00 0.00 179.24 176.55 1bld n GLU 100 N -3.38 0.60 0.00 3.56 1.02 -1.26 -2.52 120.64 118.66 1bld n GLU 100 Ca -0.01 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.24 1bld n GLU 100 Cb 0.95 -1.15 0.08 0.00 -0.02 0.00 0.00 31.44 31.30 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 -2.93 3.44 -0.15 0.00 0.08 -1.05 -4.36 117.98 113.01 1bld s PHE 102 Ca 0.11 1.19 -0.04 0.00 0.12 0.00 0.00 56.93 58.31 1bld s PHE 102 Cb 0.17 -2.50 0.08 0.00 -0.57 0.00 0.00 43.02 40.19 1bld s PHE 102 CO 0.75 0.18 0.25 -0.06 -0.10 0.00 0.00 175.22 176.24 1bld s PHE 103 N -1.86 -0.38 0.07 0.36 0.08 -1.26 -3.79 117.98 111.20 1bld s PHE 103 Ca 0.50 0.71 -0.31 0.00 0.12 0.00 0.00 56.93 57.95 1bld s PHE 103 Cb -0.12 -0.15 -0.10 0.00 -0.57 0.00 0.00 43.02 42.08 1bld s PHE 103 CO 0.19 -0.44 1.91 1.19 -0.10 0.00 0.00 175.22 177.96 1bld n PHE 104 N 5.34 2.55 -3.16 0.36 3.72 -0.57 -4.23 117.46 121.48 1bld n PHE 104 Ca -0.06 -0.25 -0.45 0.00 -0.05 0.00 0.00 57.45 56.64 1bld n PHE 104 Cb 0.50 -2.76 -0.04 0.00 -0.94 0.00 0.00 39.48 36.23 1bld n PHE 104 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1bld s GLU 105 N 3.65 3.16 -0.32 -1.08 2.12 -1.26 -1.04 118.70 123.92 1bld s GLU 105 Ca 0.86 -1.58 -0.17 0.00 0.36 0.00 0.00 54.97 54.44 1bld s GLU 105 Cb -0.47 -4.35 -0.02 0.00 0.26 0.00 0.00 34.13 29.55 1bld s GLU 105 CO 0.40 -1.49 0.46 0.50 -0.54 0.00 0.00 175.26 174.59 1bld s ARG 106 N 2.15 3.76 -0.25 4.30 3.52 -0.56 -4.92 118.95 126.96 1bld s ARG 106 Ca 0.13 -0.09 -0.19 0.00 -0.13 0.00 0.00 55.73 55.45 1bld s ARG 106 Cb -0.22 -3.75 -0.02 0.00 -1.56 0.00 0.00 34.95 29.40 1bld s ARG 106 CO 0.02 -0.50 0.58 -1.17 -0.81 0.00 0.00 175.30 173.42 1bld s LEU 107 N 2.25 4.06 0.00 -0.88 2.96 -1.26 -1.10 118.68 124.71 1bld s LEU 107 Ca 0.17 0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 54.71 1bld s LEU 107 Cb -0.16 -2.78 0.03 0.00 0.50 0.00 0.00 46.19 43.78 1bld s LEU 107 CO 0.12 -0.33 0.16 -0.62 -1.32 0.00 0.00 176.35 174.36 1bld n GLU 108 N 5.58 0.09 0.00 1.98 1.02 -1.06 -4.97 120.64 123.28 1bld n GLU 108 Ca -0.02 -0.31 0.12 0.00 -0.02 0.00 0.00 57.16 56.94 1bld n GLU 108 Cb 0.49 -0.15 0.27 0.00 -0.02 0.00 0.00 31.44 32.04 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 -3.07 1.42 -1.64 1.62 3.41 -1.26 -3.98 113.62 110.12 1bld n SER 109 Ca 0.02 -1.16 -0.07 0.00 -0.26 0.00 0.00 58.87 57.40 1bld n SER 109 Cb 0.08 0.22 0.18 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.33 3.76 0.00 4.04 4.13 -1.26 -4.83 115.26 120.76 1bld n ASN 110 Ca 0.12 -2.87 0.00 0.00 1.68 0.00 0.00 54.58 53.51 1bld n ASN 110 Cb 0.39 -0.68 0.00 0.00 -1.54 0.00 0.00 39.78 37.95 1bld n ASN 110 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1bld n ASN 111 N -0.17 0.00 -4.74 6.41 4.13 -1.26 -4.90 115.26 114.74 1bld n ASN 111 Ca 0.30 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 56.20 1bld n ASN 111 Cb 1.11 -2.33 -0.07 0.00 -1.54 0.00 0.00 39.78 36.95 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 -1.08 3.48 0.46 3.10 2.02 -1.26 -4.85 117.35 119.21 1bld s TYR 112 Ca 0.00 0.63 -0.01 0.00 -0.37 0.00 0.00 57.07 57.31 1bld s TYR 112 Cb 0.00 -2.34 -0.01 0.00 -0.40 0.00 0.00 41.96 39.21 1bld s TYR 112 CO 0.00 0.27 0.70 -0.80 -1.57 0.00 0.00 175.55 174.15 1bld s ASN 113 N 0.35 5.94 -0.11 2.29 -0.87 -0.17 -2.56 114.94 119.81 1bld s ASN 113 Ca 0.17 0.47 -0.03 0.00 -1.57 0.00 0.00 52.86 51.90 1bld s ASN 113 Cb -0.13 -1.75 0.05 0.00 -0.02 0.00 0.00 41.25 39.39 1bld s ASN 113 CO 0.05 -0.66 0.07 0.42 -2.57 0.00 0.00 177.10 174.40 1bld s THR 114 N -2.60 0.00 -0.36 1.60 -4.23 -0.26 -2.12 115.64 107.68 1bld s THR 114 Ca 0.47 0.05 -0.21 0.00 -1.18 0.00 0.00 61.69 60.82 1bld s THR 114 Cb -0.10 -0.45 0.00 0.00 1.34 0.00 0.00 72.50 73.29 1bld s THR 114 CO 0.40 -0.05 0.68 -0.31 -0.54 0.00 0.00 174.62 174.79 1bld s TYR 115 N 2.11 3.14 -0.08 3.99 2.02 -1.26 -1.49 117.35 125.78 1bld s TYR 115 Ca 0.03 0.42 -0.10 0.00 -0.37 0.00 0.00 57.07 57.05 1bld s TYR 115 Cb -0.14 -3.20 -0.05 0.00 -0.40 0.00 0.00 41.96 38.17 1bld s TYR 115 CO -0.06 -0.65 0.23 1.03 -1.57 0.00 0.00 175.55 174.52 1bld s ARG 116 N 2.81 3.61 0.27 -0.62 0.52 -0.21 -2.30 118.95 123.03 1bld s ARG 116 Ca 0.26 0.05 -0.30 0.00 -0.52 0.00 0.00 55.73 55.22 1bld s ARG 116 Cb -0.14 -3.20 -0.10 0.00 0.52 0.00 0.00 34.95 32.03 1bld s ARG 116 CO 0.15 0.74 1.33 0.45 0.02 0.00 0.00 175.30 178.00 1bld s SER 117 N -1.02 6.80 0.00 0.23 0.15 -1.02 -1.51 113.70 117.34 1bld s SER 117 Ca 0.18 2.58 0.00 0.00 0.70 0.00 0.00 55.95 59.40 1bld s SER 117 Cb -0.14 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1bld s SER 117 CO 0.07 -0.56 0.10 -1.14 1.20 0.00 0.00 173.24 172.91 1bld n ARG 118 N 1.77 0.00 0.00 5.44 0.63 -1.25 -1.81 116.66 121.45 1bld n ARG 118 Ca 0.04 0.48 0.00 0.00 -0.92 0.00 0.00 57.85 57.45 1bld n ARG 118 Cb 0.42 -1.03 0.01 0.00 0.45 0.00 0.00 32.46 32.30 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 -1.95 0.00 -3.06 -0.14 3.00 -1.26 -2.51 118.16 112.24 1bld n LYS 119 Ca 0.00 0.29 -0.19 0.00 -0.00 0.00 0.00 58.31 58.41 1bld n LYS 119 Cb 0.00 -1.72 -0.03 0.00 0.00 0.00 0.00 35.03 33.28 1bld n LYS 119 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1bld n TYR 120 N -1.30 -1.33 0.49 5.64 4.01 -1.23 -4.94 117.16 118.50 1bld n TYR 120 Ca -0.00 -2.98 0.02 0.00 -0.16 0.00 0.00 57.90 54.78 1bld n TYR 120 Cb 0.21 0.27 0.14 0.00 -0.31 0.00 0.00 39.34 39.65 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 1.57 0.00 0.29 -0.72 -2.24 -0.75 -1.69 114.28 110.74 1bld n THR 121 Ca 0.18 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.04 1bld n THR 121 Cb 0.56 -0.68 0.24 0.00 -2.10 0.00 0.00 70.33 68.35 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 -0.80 2.88 -3.69 3.42 7.64 -1.26 -4.86 113.62 116.95 1bld n SER 122 Ca 0.04 -2.02 -0.12 0.00 1.01 0.00 0.00 58.87 57.78 1bld n SER 122 Cb 0.02 -0.36 -0.09 0.00 -1.01 0.00 0.00 64.21 62.76 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 -1.31 -0.64 0.34 1.43 0.51 -0.68 -4.97 118.94 113.61 1bld s TRP 123 Ca 0.36 1.49 0.07 0.00 -2.12 0.00 0.00 56.10 55.90 1bld s TRP 123 Cb 0.19 0.26 -0.01 0.00 -0.81 0.00 0.00 33.47 33.10 1bld s TRP 123 CO 0.24 -0.32 0.45 0.71 -0.51 0.00 0.00 176.95 177.51 1bld s TYR 124 N 0.60 3.07 -0.18 -1.98 1.51 -1.26 -2.43 117.35 116.69 1bld s TYR 124 Ca -0.03 -0.24 -0.18 0.00 -1.01 0.00 0.00 57.07 55.61 1bld s TYR 124 Cb -0.05 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.79 1bld s TYR 124 CO -0.04 0.01 0.51 0.08 -1.11 0.00 0.00 175.55 175.00 1bld s VAL 125 N -2.20 5.13 -0.12 0.71 1.01 -0.97 -4.65 120.40 119.31 1bld s VAL 125 Ca 0.45 0.96 -0.16 0.00 0.00 0.00 0.00 61.98 63.22 1bld s VAL 125 Cb -0.09 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.49 1bld s VAL 125 CO 0.30 0.22 0.43 0.00 0.00 0.00 0.00 175.10 176.05 1bld s ALA 126 N 1.35 -1.07 0.62 5.51 0.00 -1.26 -4.61 121.76 122.30 1bld s ALA 126 Ca 0.25 1.01 0.04 0.00 0.00 0.00 0.00 51.96 53.26 1bld s ALA 126 Cb -0.15 -0.46 0.09 0.00 0.00 0.00 0.00 23.12 22.60 1bld s ALA 126 CO 0.10 -0.23 0.86 -0.51 0.00 0.00 0.00 175.76 175.97 1bld s LEU 127 N -0.29 3.12 0.61 0.00 1.43 -1.26 -3.05 118.68 119.24 1bld s LEU 127 Ca -0.04 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1bld s LEU 127 Cb -0.03 -2.06 0.07 0.00 0.03 0.00 0.00 46.19 44.20 1bld s LEU 127 CO 0.02 -1.50 0.86 -0.54 0.23 0.00 0.00 176.35 175.42 1bld s LYS 128 N -4.87 2.22 0.00 1.70 1.02 0.48 -4.50 119.74 115.79 1bld s LYS 128 Ca 0.63 -0.94 0.29 0.00 0.02 0.00 0.00 55.97 55.96 1bld s LYS 128 Cb -0.07 -2.44 1.19 0.00 -0.52 0.00 0.00 37.83 36.00 1bld s LYS 128 CO 0.41 -0.99 1.84 2.89 -0.92 0.00 0.00 175.35 178.58 1bld n ARG 129 N -2.52 0.68 0.00 1.68 1.85 -1.26 -3.25 116.66 113.84 1bld n ARG 129 Ca 0.11 -0.24 0.12 0.00 -1.00 0.00 0.00 57.85 56.84 1bld n ARG 129 Cb 0.60 -1.49 0.23 0.00 -1.05 0.00 0.00 32.46 30.74 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 -0.94 0.00 0.00 8.89 5.66 -1.26 -4.89 114.28 121.73 1bld n THR 130 Ca 0.14 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1bld n THR 130 Cb 0.28 0.71 0.00 0.00 -1.55 0.00 0.00 70.33 69.78 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 1.38 0.47 3.98 1.09 0.00 -1.20 -5.07 105.19 105.84 1bld n GLY 131 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.99 2.28 -0.26 1.61 1.11 -1.26 -1.59 119.66 120.57 1bld s GLN 132 Ca 0.00 -0.91 -0.19 0.00 0.01 0.00 0.00 55.36 54.27 1bld s GLN 132 Cb 0.00 -2.45 -0.03 0.00 -1.01 0.00 0.00 33.01 29.53 1bld s GLN 132 CO 0.00 -0.94 0.55 1.52 0.01 0.00 0.00 175.29 176.43 1bld s TYR 133 N -2.87 3.28 0.14 0.91 1.13 -1.26 -0.39 117.35 118.28 1bld s TYR 133 Ca 0.60 0.69 -0.31 0.00 -1.41 0.00 0.00 57.07 56.65 1bld s TYR 133 Cb -0.09 -2.75 -0.08 0.00 -1.10 0.00 0.00 41.96 37.95 1bld s TYR 133 CO 0.40 -0.28 1.32 0.21 -2.51 0.00 0.00 175.55 174.69 1bld s LYS 134 N 2.33 4.37 0.98 -3.49 2.20 -1.17 -4.76 119.74 120.19 1bld s LYS 134 Ca 0.23 2.01 -0.15 0.00 -0.36 0.00 0.00 55.97 57.70 1bld s LYS 134 Cb -0.16 -3.24 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 1bld s LYS 134 CO 0.09 -0.33 -0.02 -0.11 -0.36 0.00 0.00 175.35 174.62 1bld n LEU 135 N 3.40 -2.11 0.00 5.43 7.94 -1.26 -4.76 117.00 125.64 1bld n LEU 135 Ca 0.09 0.25 0.10 0.00 -1.11 0.00 0.00 56.01 55.33 1bld n LEU 135 Cb 0.43 -1.04 0.57 0.00 0.53 0.00 0.00 43.42 43.91 1bld n LEU 135 CO 0.58 -4.27 0.79 0.61 -1.11 0.00 0.00 177.39 173.99 1bld n GLY 136 N 2.16 -0.76 0.01 -3.96 0.00 -1.08 -3.60 105.19 97.97 1bld n GLY 136 Ca 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.90 0.34 0.14 1.61 3.41 -1.26 -4.16 113.62 112.80 1bld n SER 137 Ca 0.14 0.23 0.04 0.00 -0.26 0.00 0.00 58.87 59.02 1bld n SER 137 Cb 0.07 -0.56 0.21 0.00 -0.26 0.00 0.00 64.21 63.66 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 -2.75 0.06 -2.24 4.33 4.01 -1.25 -4.50 118.16 115.82 1bld n LYS 138 Ca -0.02 0.48 -0.35 0.00 -0.51 0.00 0.00 58.31 57.92 1bld n LYS 138 Cb 0.06 -2.09 0.00 0.00 -0.51 0.00 0.00 35.03 32.50 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 -3.08 3.19 0.00 -0.18 -4.23 -1.24 -4.96 115.64 105.14 1bld s THR 139 Ca -0.01 0.73 0.00 0.00 -1.18 0.00 0.00 61.69 61.23 1bld s THR 139 Cb 0.02 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.58 1bld s THR 139 CO 0.07 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 1bld n GLY 140 N 0.10 -0.46 3.68 3.99 0.00 -1.26 -4.68 105.19 106.56 1bld n GLY 140 Ca 0.11 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.77 1.27 0.00 1.61 0.02 -1.26 -3.07 135.00 131.79 1bld s PRO 141 Ca 0.00 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.65 1bld s PRO 141 Cb 0.00 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.77 1bld s PRO 141 CO 0.00 -2.46 0.00 0.41 -0.33 0.00 0.00 177.00 174.62 1bld n GLY 142 N 0.30 2.88 3.56 0.52 0.00 -1.26 -4.99 105.19 106.20 1bld n GLY 142 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.08 3.63 0.00 1.61 -1.52 -1.18 -4.89 119.66 117.24 1bld s GLN 143 Ca 0.00 0.03 0.09 0.00 -1.95 0.00 0.00 55.36 53.53 1bld s GLN 143 Cb 0.00 -3.83 0.52 0.00 -0.22 0.00 0.00 33.01 29.48 1bld s GLN 143 CO 0.00 -0.80 1.07 1.63 -0.25 0.00 0.00 175.29 176.94 1bld n LYS 144 N 6.15 0.23 0.01 2.91 5.02 -1.26 -2.44 118.16 128.78 1bld n LYS 144 Ca -0.01 0.08 0.04 0.00 -2.02 0.00 0.00 58.31 56.40 1bld n LYS 144 Cb 0.48 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 34.18 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 -1.11 1.33 1.27 7.82 0.00 -1.26 -1.06 120.51 127.50 1bld n ALA 145 Ca 0.06 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.61 1bld n ALA 145 Cb 0.05 -1.14 0.41 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.56 0.14 -2.99 0.00 -5.35 -1.02 -4.26 119.36 104.33 1bld n ILE 146 Ca 0.02 -0.34 -0.44 0.00 -0.27 0.00 0.00 62.75 61.72 1bld n ILE 146 Cb 0.09 0.49 -0.02 0.00 -1.74 0.00 0.00 39.64 38.46 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 -1.73 5.28 0.35 7.28 1.43 -0.23 -4.32 118.68 126.73 1bld s LEU 147 Ca 0.34 -2.40 -0.00 0.00 -1.03 0.00 0.00 54.13 51.05 1bld s LEU 147 Cb 0.19 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 1bld s LEU 147 CO 0.29 -0.91 0.56 -0.36 0.23 0.00 0.00 176.35 176.16 1bld s PHE 148 N 2.02 3.50 -0.40 0.29 0.40 -0.90 -3.12 117.98 119.77 1bld s PHE 148 Ca 0.33 0.38 0.08 0.00 -0.60 0.00 0.00 56.93 57.12 1bld s PHE 148 Cb -0.05 -1.92 0.24 0.00 0.51 0.00 0.00 43.02 41.80 1bld s PHE 148 CO -0.07 0.11 0.52 -0.11 0.70 0.00 0.00 175.22 176.37 1bld n LEU 149 N -1.74 -0.02 -4.60 -0.37 7.94 -0.80 -1.00 117.00 116.41 1bld n LEU 149 Ca -0.04 -4.60 -0.43 0.00 -1.11 0.00 0.00 56.01 49.83 1bld n LEU 149 Cb 0.56 0.64 -0.03 0.00 0.53 0.00 0.00 43.42 45.12 1bld n LEU 149 CO 0.49 2.05 1.87 -2.65 -1.11 0.00 0.00 177.39 178.04 1bld n PRO 150 N 1.55 1.90 -3.62 1.96 -0.02 -1.26 -3.82 135.00 131.69 1bld n PRO 150 Ca 0.21 0.49 -0.36 0.00 -2.02 0.00 0.00 63.50 61.83 1bld n PRO 150 Cb 0.53 -3.26 -0.07 0.00 -0.02 0.00 0.00 33.50 30.67 1bld n PRO 150 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1bld s MET 151 N 6.51 4.18 0.96 -0.52 -1.94 -1.01 -4.89 119.30 122.59 1bld s MET 151 Ca 1.01 -0.01 -0.12 0.00 -1.71 0.00 0.00 55.69 54.86 1bld s MET 151 Cb -0.32 -3.40 0.17 0.00 2.01 0.00 0.00 34.83 33.28 1bld s MET 151 CO 0.34 0.30 1.09 0.45 -0.01 0.00 0.00 175.02 177.20 1bld s SER 152 N 0.30 2.95 -0.21 3.03 0.15 -1.26 -2.57 113.70 116.09 1bld s SER 152 Ca 0.14 1.28 -0.05 0.00 0.70 0.00 0.00 55.95 58.02 1bld s SER 152 Cb -0.12 -1.95 -0.12 0.00 -1.71 0.00 0.00 66.02 62.12 1bld s SER 152 CO 0.02 -2.94 3.24 0.00 1.20 0.00 0.00 173.24 174.76 1bld n ALA 153 N -4.06 6.42 -0.38 5.45 0.00 -1.20 -4.47 120.51 122.27 1bld n ALA 153 Ca 0.06 -2.40 0.00 0.00 0.00 0.00 0.00 53.44 51.10 1bld n ALA 153 Cb 0.57 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1bld n ALA 153 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1bld n LYS 154 N 1.76 0.00 0.00 0.00 5.02 -1.26 -5.06 118.16 118.62 1bld n LYS 154 Ca 0.46 0.10 0.03 0.00 -2.02 0.00 0.00 58.31 56.87 1bld n LYS 154 Cb 0.75 -0.46 0.16 0.00 -0.02 0.00 0.00 35.03 35.45 1bld n LYS 154 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75