#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 -0.54 0.11 3.17 0.00 -1.26 -5.13 121.76 118.10 1bld s ALA 2 Ca 0.00 0.93 -0.28 0.00 0.00 0.00 0.00 51.96 52.61 1bld s ALA 2 Cb 0.00 -0.98 -0.06 0.00 0.00 0.00 0.00 23.12 22.07 1bld s ALA 2 CO 0.00 -0.61 0.87 -1.21 0.00 0.00 0.00 175.76 174.81 1bld s GLU 3 N 2.33 4.63 0.00 0.00 2.02 -1.26 -4.23 118.70 122.19 1bld s GLU 3 Ca 0.01 1.29 0.00 0.00 0.02 0.00 0.00 54.97 56.28 1bld s GLU 3 Cb -0.12 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 30.77 1bld s GLU 3 CO -0.08 0.32 0.00 0.41 0.02 0.00 0.00 175.26 175.93 1bld n GLY 4 N 2.12 0.55 3.32 -1.39 0.00 -1.25 -4.81 105.19 103.72 1bld n GLY 4 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1bld n GLY 4 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1bld n GLU 5 N -0.35 0.00 -2.56 1.61 0.00 -1.26 -3.67 120.64 114.42 1bld n GLU 5 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.73 1bld n GLU 5 Cb 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.58 1bld n GLU 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1bld s ILE 6 N 0.00 4.36 0.22 3.84 1.09 -1.26 -4.85 121.20 124.60 1bld s ILE 6 Ca 0.00 1.55 0.00 0.00 -1.10 0.00 0.00 60.65 61.10 1bld s ILE 6 Cb 0.00 -4.33 0.00 0.00 -1.06 0.00 0.00 42.46 37.07 1bld s ILE 6 CO 0.00 -0.50 0.00 0.35 -0.10 0.00 0.00 174.94 174.69 1bld n THR 7 N 6.03 0.00 -3.10 2.92 -2.24 -1.24 -4.90 114.28 111.75 1bld n THR 7 Ca 0.13 0.06 0.03 0.00 -2.27 0.00 0.00 64.05 61.99 1bld n THR 7 Cb 0.47 -0.35 -0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1bld n THR 7 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1bld s THR 8 N -2.01 -0.73 0.01 4.28 -1.32 -1.26 -4.75 115.64 109.86 1bld s THR 8 Ca 0.00 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.38 1bld s THR 8 Cb 0.00 -0.30 0.01 0.00 -1.51 0.00 0.00 72.50 70.69 1bld s THR 8 CO 0.00 0.00 0.20 -1.48 -2.21 0.00 0.00 174.62 171.13 1bld s LEU 9 N 2.30 1.33 -0.60 9.08 2.34 -1.26 -5.08 118.68 126.79 1bld s LEU 9 Ca 0.16 -0.21 -0.27 0.00 0.06 0.00 0.00 54.13 53.87 1bld s LEU 9 Cb -0.04 0.92 -0.10 0.00 -0.56 0.00 0.00 46.19 46.40 1bld s LEU 9 CO -0.16 -0.46 2.47 -2.65 -1.06 0.00 0.00 176.35 174.49 1bld n PRO 10 N 1.11 0.82 -2.43 1.48 -0.01 -1.26 -4.91 135.00 129.80 1bld n PRO 10 Ca -0.21 -0.03 -0.38 0.00 -0.01 0.00 0.00 63.50 62.87 1bld n PRO 10 Cb 0.57 -3.07 -0.03 0.00 -0.01 0.00 0.00 33.50 30.96 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 11.64 3.21 -0.43 3.55 0.00 -1.26 -4.99 121.76 133.49 1bld s ALA 11 Ca 1.05 0.86 0.08 0.00 0.00 0.00 0.00 51.96 53.95 1bld s ALA 11 Cb -0.39 -3.33 0.26 0.00 0.00 0.00 0.00 23.12 19.67 1bld s ALA 11 CO 0.30 -0.30 0.73 -0.11 0.00 0.00 0.00 175.76 176.37 1bld n LEU 12 N 0.38 -1.07 -4.73 0.00 7.94 -1.26 -4.98 117.00 113.29 1bld n LEU 12 Ca 0.03 -4.15 -0.42 0.00 -1.11 0.00 0.00 56.01 50.36 1bld n LEU 12 Cb 0.47 0.75 -0.03 0.00 0.53 0.00 0.00 43.42 45.14 1bld n LEU 12 CO 0.50 2.07 1.25 -2.16 -1.11 0.00 0.00 177.39 177.93 1bld s PRO 13 N -0.52 4.19 -0.19 1.96 0.05 -1.26 -4.02 135.00 135.20 1bld s PRO 13 Ca 0.33 2.45 -0.01 0.00 0.05 0.00 0.00 61.00 63.82 1bld s PRO 13 Cb 0.22 -3.11 0.00 0.00 0.05 0.00 0.00 34.50 31.67 1bld s PRO 13 CO -0.15 -0.62 0.02 0.39 0.05 0.00 0.00 177.00 176.69 1bld n GLU 14 N 3.41 -2.44 0.00 4.56 4.71 -1.26 -4.62 120.64 125.00 1bld n GLU 14 Ca 0.12 2.12 0.00 0.00 -0.01 0.00 0.00 57.16 59.39 1bld n GLU 14 Cb 0.38 -3.75 0.00 0.00 -1.01 0.00 0.00 31.44 27.06 1bld n GLU 14 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1bld n ASP 15 N 1.04 0.00 0.00 1.62 9.92 -1.26 -3.53 116.55 124.35 1bld n ASP 15 Ca -0.03 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 1bld n ASP 15 Cb 0.21 -0.26 0.00 0.00 -0.64 0.00 0.00 41.12 40.43 1bld n ASP 15 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bld n GLY 16 N -1.23 -0.19 6.07 0.44 0.00 -1.26 -5.02 105.19 104.00 1bld n GLY 16 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.69 0.43 2.63 -0.02 0.00 -1.23 -1.04 105.19 106.65 1bld n GLY 17 Ca 0.00 0.41 -0.09 0.00 0.00 0.00 0.00 46.02 46.34 1bld n GLY 17 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bld n SER 18 N 2.60 0.27 0.00 1.61 7.64 -1.26 -4.92 113.62 119.56 1bld n SER 18 Ca 0.00 -2.70 0.00 0.00 1.01 0.00 0.00 58.87 57.18 1bld n SER 18 Cb 0.00 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1bld n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bld n GLY 19 N -0.17 0.67 2.02 0.23 0.00 -0.20 -4.17 105.19 103.56 1bld n GLY 19 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 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 0.82 -3.29 0.00 4.61 0.00 -1.26 -5.01 120.51 116.38 1bld n ALA 20 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 53.44 54.61 1bld n ALA 20 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.13 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 0.88 0.00 -0.67 0.00 3.72 -1.26 -5.00 117.46 115.14 1bld n PHE 21 Ca -0.20 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 56.91 1bld n PHE 21 Cb 0.31 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 39.08 1bld n PHE 21 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1bld s PRO 22 N 0.00 -0.43 0.00 -1.08 0.02 -1.26 -4.91 135.00 127.34 1bld s PRO 22 Ca 0.00 0.90 0.00 0.00 0.02 0.00 0.00 61.00 61.92 1bld s PRO 22 Cb 0.00 -1.61 0.00 0.00 0.02 0.00 0.00 34.50 32.91 1bld s PRO 22 CO 0.00 -3.41 0.00 -2.30 -0.33 0.00 0.00 177.00 170.96 1bld n PRO 23 N -4.70 -1.02 0.00 5.54 -0.01 -1.26 -4.34 135.00 129.20 1bld n PRO 23 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.54 1bld n PRO 23 Cb 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 34.03 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 0.00 2.94 2.35 -1.23 0.00 -1.26 -4.81 105.19 103.17 1bld n GLY 24 Ca 0.00 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 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 2.15 -1.45 1.61 8.25 -1.26 -3.99 115.22 120.53 1bld n HIS 25 Ca 0.00 -2.24 0.00 0.00 -0.26 0.00 0.00 57.72 55.22 1bld n HIS 25 Cb 0.00 -1.24 0.00 0.00 1.12 0.00 0.00 29.99 29.87 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 0.10 0.00 -0.43 4.41 3.01 -1.26 -4.82 117.46 118.46 1bld n PHE 26 Ca 0.47 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.89 1bld n PHE 26 Cb 0.53 -0.01 0.23 0.00 -0.01 0.00 0.00 39.48 40.21 1bld n PHE 26 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1bld n LYS 27 N 0.00 3.04 -3.52 -1.08 4.81 -1.26 -4.89 118.16 115.27 1bld n LYS 27 Ca 0.00 -2.19 -0.14 0.00 -0.87 0.00 0.00 58.31 55.10 1bld n LYS 27 Cb 0.58 -1.96 -0.05 0.00 0.02 0.00 0.00 35.03 33.62 1bld n LYS 27 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1bld s ASP 28 N -0.58 -0.55 1.23 3.14 1.01 -1.26 -5.13 116.67 114.53 1bld s ASP 28 Ca 0.39 0.46 -0.18 0.00 0.71 0.00 0.00 52.55 53.94 1bld s ASP 28 Cb 0.31 0.48 0.26 0.00 1.01 0.00 0.00 42.92 44.98 1bld s ASP 28 CO 0.10 -0.60 0.60 -2.65 0.21 0.00 0.00 175.17 172.82 1bld n PRO 29 N 0.55 -3.00 -3.73 8.23 -0.01 -1.26 -4.68 135.00 131.11 1bld n PRO 29 Ca -0.16 -0.87 -0.12 0.00 -0.01 0.00 0.00 63.50 62.34 1bld n PRO 29 Cb 0.59 -1.85 -0.13 0.00 -0.01 0.00 0.00 33.50 32.11 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 -4.17 0.24 -0.22 -0.52 1.02 -0.81 -3.39 119.74 111.87 1bld s LYS 30 Ca 0.59 0.54 -0.24 0.00 0.02 0.00 0.00 55.97 56.89 1bld s LYS 30 Cb -0.15 -0.08 -0.01 0.00 -0.52 0.00 0.00 37.83 37.07 1bld s LYS 30 CO 0.57 -0.15 0.78 1.03 -0.92 0.00 0.00 175.35 176.66 1bld s ARG 31 N 1.16 4.20 -0.58 1.68 0.52 -1.02 -3.76 118.95 121.16 1bld s ARG 31 Ca -0.08 0.87 -0.25 0.00 -0.52 0.00 0.00 55.73 55.75 1bld s ARG 31 Cb -0.09 -3.62 0.04 0.00 0.52 0.00 0.00 34.95 31.80 1bld s ARG 31 CO -0.08 -0.43 1.03 -0.51 0.02 0.00 0.00 175.30 175.33 1bld s LEU 32 N 2.54 3.90 -0.32 2.53 1.43 -1.26 -2.36 118.68 125.15 1bld s LEU 32 Ca 0.34 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.01 1bld s LEU 32 Cb -0.16 -2.85 -0.03 0.00 0.03 0.00 0.00 46.19 43.18 1bld s LEU 32 CO 0.09 -1.35 0.22 -0.47 0.23 0.00 0.00 176.35 175.07 1bld s TYR 33 N 4.33 3.23 -0.32 0.29 5.04 -1.24 -2.48 117.35 126.20 1bld s TYR 33 Ca 0.33 -0.08 -0.25 0.00 -2.44 0.00 0.00 57.07 54.62 1bld s TYR 33 Cb -0.11 -2.44 0.01 0.00 0.35 0.00 0.00 41.96 39.76 1bld s TYR 33 CO 0.20 -0.28 0.89 0.00 -1.34 0.00 0.00 175.55 175.01 1bld h LYS 35 N 8.17 0.00 -6.12 0.00 3.64 -1.85 -2.49 116.57 117.92 1bld h LYS 35 Ca -0.23 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.56 1bld h LYS 35 Cb 1.08 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.80 1bld h LYS 35 CO 0.94 0.12 0.74 -0.80 -2.27 0.00 0.00 179.45 178.19 1bld s ASN 36 N -6.13 6.35 0.00 4.20 0.02 -1.26 -3.43 114.94 114.69 1bld s ASN 36 Ca -0.02 -0.24 0.00 0.00 -1.02 0.00 0.00 52.86 51.58 1bld s ASN 36 Cb 0.13 -2.48 0.00 0.00 0.02 0.00 0.00 41.25 38.91 1bld s ASN 36 CO 0.58 -1.37 0.00 0.61 0.02 0.00 0.00 177.10 176.94 1bld n GLY 37 N 5.13 0.77 3.23 0.66 0.00 -1.26 -4.44 105.19 109.28 1bld n GLY 37 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.36 -0.58 2.93 -0.02 0.00 -1.00 -5.00 105.19 99.16 1bld n GLY 38 Ca 0.00 0.79 -0.12 0.00 0.00 0.00 0.00 46.02 46.68 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 -0.05 -0.16 1.61 0.08 -0.97 -4.84 117.98 112.11 1bld s PHE 39 Ca 0.22 0.11 -0.08 0.00 0.12 0.00 0.00 56.93 57.30 1bld s PHE 39 Cb -0.03 0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.39 1bld s PHE 39 CO 0.61 -0.04 0.12 -0.06 -0.10 0.00 0.00 175.22 175.74 1bld s PHE 40 N -0.05 3.45 0.40 0.36 0.40 -0.68 -0.22 117.98 121.63 1bld s PHE 40 Ca -0.01 0.36 -0.25 0.00 -0.60 0.00 0.00 56.93 56.43 1bld s PHE 40 Cb -0.01 -2.05 -0.08 0.00 0.51 0.00 0.00 43.02 41.39 1bld s PHE 40 CO 0.00 0.45 1.18 -1.17 0.70 0.00 0.00 175.22 176.38 1bld s LEU 41 N -0.22 4.18 -0.19 -0.37 2.96 -1.03 -0.79 118.68 123.22 1bld s LEU 41 Ca 0.10 2.36 -0.10 0.00 -0.22 0.00 0.00 54.13 56.28 1bld s LEU 41 Cb -0.12 -4.03 0.06 0.00 0.50 0.00 0.00 46.19 42.61 1bld s LEU 41 CO 0.01 -0.70 0.45 -0.60 -1.32 0.00 0.00 176.35 174.19 1bld s ARG 42 N -2.32 0.43 -0.13 1.98 3.52 -0.78 -4.67 118.95 116.98 1bld s ARG 42 Ca 0.57 0.88 -0.06 0.00 -0.13 0.00 0.00 55.73 56.99 1bld s ARG 42 Cb -0.31 0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.08 1bld s ARG 42 CO 0.39 -0.17 0.07 0.42 -0.81 0.00 0.00 175.30 175.21 1bld s ILE 43 N 1.55 4.90 0.19 4.11 1.01 -1.26 -2.58 121.20 129.12 1bld s ILE 43 Ca -0.09 -0.01 -0.10 0.00 0.00 0.00 0.00 60.65 60.45 1bld s ILE 43 Cb -0.08 -3.14 -0.07 0.00 0.01 0.00 0.00 42.46 39.18 1bld s ILE 43 CO -0.14 0.56 0.51 -1.00 0.00 0.00 0.00 174.94 174.87 1bld s HIS 44 N -0.47 3.47 0.27 3.97 3.76 -0.99 -4.78 115.29 120.53 1bld s HIS 44 Ca 0.10 0.84 0.34 0.00 -0.15 0.00 0.00 55.06 56.20 1bld s HIS 44 Cb -0.12 -2.23 1.87 0.00 1.11 0.00 0.00 32.58 33.21 1bld s HIS 44 CO 0.02 0.34 2.05 -1.00 -0.85 0.00 0.00 174.74 175.30 1bld h PRO 45 N 2.82 0.00 0.00 8.40 0.13 -1.90 -0.15 132.00 141.30 1bld h PRO 45 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1bld h PRO 45 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1bld h PRO 45 CO 0.69 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.06 1bld n ASP 46 N -2.71 0.07 0.00 1.44 5.68 -1.26 -4.85 116.55 114.93 1bld n ASP 46 Ca -0.02 0.51 0.00 0.00 -0.50 0.00 0.00 54.79 54.78 1bld n ASP 46 Cb 0.06 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 39.51 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 0.72 1.03 3.96 6.12 0.00 -0.07 -5.03 105.19 111.91 1bld n GLY 47 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.47 2.76 -0.10 1.61 0.52 -1.22 -3.05 118.95 119.00 1bld s ARG 48 Ca 0.00 -0.61 -0.03 0.00 -0.52 0.00 0.00 55.73 54.57 1bld s ARG 48 Cb 0.00 -2.50 0.05 0.00 0.52 0.00 0.00 34.95 33.03 1bld s ARG 48 CO 0.00 -0.55 0.15 0.08 0.02 0.00 0.00 175.30 175.00 1bld s VAL 49 N -2.70 -0.24 0.15 3.52 1.01 -1.26 -2.34 120.40 118.54 1bld s VAL 49 Ca 0.54 0.25 -0.21 0.00 0.00 0.00 0.00 61.98 62.56 1bld s VAL 49 Cb -0.10 -0.36 0.06 0.00 0.00 0.00 0.00 36.38 35.98 1bld s VAL 49 CO 0.39 0.06 0.55 1.51 0.00 0.00 0.00 175.10 177.61 1bld s ASP 50 N 2.27 -0.47 0.22 3.32 -4.77 -1.06 -4.61 116.67 111.57 1bld s ASP 50 Ca 0.04 -0.11 -0.04 0.00 -3.30 0.00 0.00 52.55 49.14 1bld s ASP 50 Cb -0.13 0.57 -0.05 0.00 -1.09 0.00 0.00 42.92 42.22 1bld s ASP 50 CO -0.07 -0.95 0.47 -0.83 0.70 0.00 0.00 175.17 174.49 1bld s GLY 51 N -2.77 1.98 0.04 2.12 0.00 -0.98 -1.86 107.32 105.85 1bld s GLY 51 Ca 0.02 -0.60 -0.08 0.00 0.00 0.00 0.00 44.72 44.06 1bld s GLY 51 CO -0.12 -0.51 0.16 -1.34 0.00 0.00 0.00 173.10 171.29 1bld s VAL 52 N -1.89 0.12 0.21 1.40 -7.23 0.03 -4.71 120.40 108.33 1bld s VAL 52 Ca 0.42 -0.98 0.08 0.00 -1.81 0.00 0.00 61.98 59.69 1bld s VAL 52 Cb -0.11 -0.93 -0.10 0.00 0.56 0.00 0.00 36.38 35.80 1bld s VAL 52 CO 0.27 -0.54 1.47 0.03 -0.31 0.00 0.00 175.10 176.02 1bld h ARG 53 N 3.49 0.05 -5.16 4.82 2.47 -1.88 -1.82 114.38 116.35 1bld h ARG 53 Ca -0.32 -0.05 -0.34 0.00 -1.26 0.00 0.00 59.98 58.01 1bld h ARG 53 Cb 1.19 0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 29.46 1bld h ARG 53 CO 0.49 0.80 1.47 0.39 0.56 0.00 0.00 179.97 183.69 1bld n GLU 54 N -3.65 0.28 -0.47 0.04 1.02 -1.26 -4.70 120.64 111.90 1bld n GLU 54 Ca -0.01 -0.18 -0.07 0.00 -0.02 0.00 0.00 57.16 56.87 1bld n GLU 54 Cb 0.75 -2.08 0.04 0.00 -0.02 0.00 0.00 31.44 30.12 1bld n GLU 54 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1bld n LYS 55 N 7.53 1.37 -2.49 3.49 2.85 -1.26 -3.90 118.16 125.75 1bld n LYS 55 Ca 0.58 -0.82 -0.03 0.00 -1.05 0.00 0.00 58.31 56.99 1bld n LYS 55 Cb 0.23 -1.32 0.09 0.00 -0.65 0.00 0.00 35.03 33.38 1bld n LYS 55 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1bld n SER 56 N 0.37 -1.32 -4.93 -5.58 2.88 -1.26 -3.90 113.62 99.89 1bld n SER 56 Ca 0.16 -2.02 -0.26 0.00 -1.33 0.00 0.00 58.87 55.42 1bld n SER 56 Cb 0.71 0.71 -0.02 0.00 -0.75 0.00 0.00 64.21 64.85 1bld n SER 56 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1bld s ASP 57 N -0.85 6.37 0.00 -3.46 1.11 -1.25 -4.87 116.67 113.71 1bld s ASP 57 Ca 0.10 0.53 0.00 0.00 0.18 0.00 0.00 52.55 53.36 1bld s ASP 57 Cb 0.32 -2.07 0.00 0.00 1.07 0.00 0.00 42.92 42.24 1bld s ASP 57 CO -0.08 -0.20 0.19 -0.81 1.18 0.00 0.00 175.17 175.44 1bld n PRO 58 N -1.23 0.31 0.00 8.23 -0.04 -1.26 -2.29 135.00 138.72 1bld n PRO 58 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1bld n PRO 58 Cb 0.55 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 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 0.46 0.00 0.36 0.54 8.25 -1.26 -4.69 115.22 118.88 1bld n HIS 59 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 1bld n HIS 59 Cb 0.09 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.39 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 0.00 0.79 -2.88 1.59 -5.35 -0.97 -4.23 119.36 108.31 1bld n ILE 60 Ca 0.00 0.20 -0.43 0.00 -0.27 0.00 0.00 62.75 62.24 1bld n ILE 60 Cb 0.00 -1.08 -0.03 0.00 -1.74 0.00 0.00 39.64 36.80 1bld n ILE 60 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1bld s LYS 61 N -2.52 3.56 -0.01 6.28 1.02 -1.26 -4.52 119.74 122.29 1bld s LYS 61 Ca 0.07 -1.62 -0.19 0.00 0.02 0.00 0.00 55.97 54.25 1bld s LYS 61 Cb 0.05 -4.91 -0.05 0.00 -0.52 0.00 0.00 37.83 32.40 1bld s LYS 61 CO 0.11 -1.82 0.55 -0.51 -0.92 0.00 0.00 175.35 172.76 1bld s LEU 62 N 3.04 4.41 -0.52 3.17 1.43 -1.25 -3.64 118.68 125.33 1bld s LEU 62 Ca 0.33 1.09 -0.22 0.00 -1.03 0.00 0.00 54.13 54.30 1bld s LEU 62 Cb -0.05 -2.84 0.04 0.00 0.03 0.00 0.00 46.19 43.37 1bld s LEU 62 CO -0.08 0.13 0.79 -1.58 0.23 0.00 0.00 176.35 175.85 1bld s GLN 63 N -0.28 3.26 0.41 1.70 2.00 0.18 -1.93 119.66 125.00 1bld s GLN 63 Ca 0.29 -0.47 -0.09 0.00 -2.00 0.00 0.00 55.36 53.09 1bld s GLN 63 Cb -0.18 -4.05 -0.06 0.00 0.80 0.00 0.00 33.01 29.53 1bld s GLN 63 CO 0.16 -1.32 0.75 -0.51 -0.50 0.00 0.00 175.29 173.87 1bld s LEU 64 N 3.34 3.82 -0.08 3.68 1.02 -1.26 -1.23 118.68 127.96 1bld s LEU 64 Ca 0.25 1.06 -0.03 0.00 0.02 0.00 0.00 54.13 55.42 1bld s LEU 64 Cb -0.15 -3.95 0.05 0.00 0.02 0.00 0.00 46.19 42.16 1bld s LEU 64 CO 0.17 -0.41 0.17 -1.10 0.02 0.00 0.00 176.35 175.20 1bld s GLN 65 N -3.96 0.05 0.58 1.70 -0.21 0.49 -4.93 119.66 113.38 1bld s GLN 65 Ca 0.50 0.55 -0.13 0.00 0.02 0.00 0.00 55.36 56.29 1bld s GLN 65 Cb -0.10 -0.24 -0.06 0.00 1.00 0.00 0.00 33.01 33.61 1bld s GLN 65 CO 0.33 -0.28 1.01 0.00 -2.12 0.00 0.00 175.29 174.23 1bld s ALA 66 N 2.10 3.07 -0.12 6.09 0.00 -1.26 0.43 121.76 132.08 1bld s ALA 66 Ca 0.01 0.04 -0.08 0.00 0.00 0.00 0.00 51.96 51.92 1bld s ALA 66 Cb -0.12 -3.10 0.04 0.00 0.00 0.00 0.00 23.12 19.94 1bld s ALA 66 CO -0.06 -0.51 0.29 -2.00 0.00 0.00 0.00 175.76 173.49 1bld s GLU 67 N -4.69 0.30 3.44 0.00 2.56 -0.31 -4.83 118.70 115.17 1bld s GLU 67 Ca 0.57 0.50 0.00 0.00 0.00 0.00 0.00 54.97 56.04 1bld s GLU 67 Cb -0.11 0.05 0.00 0.00 2.00 0.00 0.00 34.13 36.07 1bld s GLU 67 CO 0.44 -0.10 0.00 0.39 -0.56 0.00 0.00 175.26 175.44 1bld n GLU 68 N 3.53 0.00 -3.67 4.30 -0.58 -1.26 -3.58 120.64 119.38 1bld n GLU 68 Ca -0.18 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.47 1bld n GLU 68 Cb 0.56 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.34 1bld n GLU 68 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1bld s ARG 69 N 0.00 0.41 0.00 3.49 1.04 -1.26 -4.86 118.95 117.78 1bld s ARG 69 Ca 0.00 1.01 0.00 0.00 -1.04 0.00 0.00 55.73 55.70 1bld s ARG 69 Cb 0.00 0.24 0.00 0.00 -2.04 0.00 0.00 34.95 33.15 1bld s ARG 69 CO 0.00 -0.20 0.00 0.41 -0.04 0.00 0.00 175.30 175.47 1bld n GLY 70 N 4.88 2.93 3.79 3.88 0.00 -1.26 -5.00 105.19 114.41 1bld n GLY 70 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.84 4.74 0.30 1.61 1.01 -1.23 -3.09 120.40 121.89 1bld s VAL 71 Ca 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1bld s VAL 71 Cb 0.00 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 1bld s VAL 71 CO 0.00 0.32 0.39 0.68 0.00 0.00 0.00 175.10 176.49 1bld s VAL 72 N -1.22 0.00 -0.07 2.92 -7.23 -1.26 -1.16 120.40 112.37 1bld s VAL 72 Ca 0.24 -1.68 -0.03 0.00 -1.81 0.00 0.00 61.98 58.70 1bld s VAL 72 Cb -0.12 -2.51 0.04 0.00 0.56 0.00 0.00 36.38 34.35 1bld s VAL 72 CO 0.15 0.00 0.16 -0.44 -0.31 0.00 0.00 175.10 174.66 1bld s SER 73 N -3.20 -0.03 0.12 4.85 0.01 0.17 -3.69 113.70 111.93 1bld s SER 73 Ca 0.32 0.34 -0.07 0.00 1.31 0.00 0.00 55.95 57.84 1bld s SER 73 Cb 0.01 0.24 -0.06 0.00 0.21 0.00 0.00 66.02 66.42 1bld s SER 73 CO 0.17 -0.16 0.39 -0.63 0.41 0.00 0.00 173.24 173.42 1bld s ILE 74 N 1.33 5.13 -0.11 1.44 1.01 -1.26 -0.38 121.20 128.36 1bld s ILE 74 Ca -0.08 0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.73 1bld s ILE 74 Cb -0.11 -3.63 0.04 0.00 0.01 0.00 0.00 42.46 38.77 1bld s ILE 74 CO -0.06 0.14 0.27 -0.75 0.00 0.00 0.00 174.94 174.54 1bld s LYS 75 N -2.34 0.27 0.03 2.79 2.20 -0.36 -3.88 119.74 118.46 1bld s LYS 75 Ca 0.38 0.49 -0.30 0.00 -0.36 0.00 0.00 55.97 56.18 1bld s LYS 75 Cb -0.13 0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.16 1bld s LYS 75 CO 0.21 -0.11 1.03 0.20 -0.36 0.00 0.00 175.35 176.32 1bld s GLY 76 N 0.80 2.82 0.00 5.54 0.00 -0.66 0.49 107.32 116.31 1bld s GLY 76 Ca -0.05 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.29 1bld s GLY 76 CO -0.05 1.73 0.55 -0.62 0.00 0.00 0.00 173.10 174.71 1bld n VAL 77 N 3.70 0.00 -0.10 1.40 0.31 -1.24 -1.22 118.33 121.18 1bld n VAL 77 Ca 0.06 0.99 -0.11 0.00 -0.01 0.00 0.00 64.34 65.26 1bld n VAL 77 Cb 0.50 -1.85 -0.04 0.00 -0.91 0.00 0.00 33.84 31.54 1bld n VAL 77 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1bld h SER 78 N 0.00 0.51 -0.41 4.52 0.87 -1.84 -2.41 113.55 114.78 1bld h SER 78 Ca 0.00 -0.32 0.12 0.00 -1.23 0.00 0.00 61.79 60.36 1bld h SER 78 Cb 0.00 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1bld h SER 78 CO 0.00 0.70 0.36 0.00 -0.53 0.00 0.00 176.83 177.36 1bld h ALA 79 N 0.82 2.21 -6.43 6.23 0.00 -1.87 -3.45 119.26 116.78 1bld h ALA 79 Ca 0.08 -0.01 -0.49 0.00 0.00 0.00 0.00 54.91 54.49 1bld h ALA 79 Cb 0.45 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1bld h ALA 79 CO 0.02 -0.58 -0.85 0.09 0.00 0.00 0.00 179.25 177.93 1bld n ASN 80 N -4.02 -1.41 -3.80 0.00 4.13 -0.35 -4.88 115.26 104.94 1bld n ASN 80 Ca 0.07 -0.94 -0.13 0.00 1.68 0.00 0.00 54.58 55.26 1bld n ASN 80 Cb 0.55 -3.31 -0.10 0.00 -1.54 0.00 0.00 39.78 35.37 1bld n ASN 80 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1bld s ARG 81 N -6.50 0.44 -0.07 3.52 0.52 -1.24 -4.64 118.95 110.98 1bld s ARG 81 Ca 0.18 0.06 -0.20 0.00 -0.52 0.00 0.00 55.73 55.25 1bld s ARG 81 Cb -0.10 0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.53 1bld s ARG 81 CO 0.87 -0.09 0.55 0.71 0.02 0.00 0.00 175.30 177.36 1bld s TYR 82 N -0.56 3.58 0.44 -0.53 1.51 0.18 -1.66 117.35 120.31 1bld s TYR 82 Ca -0.07 1.04 -0.26 0.00 -1.01 0.00 0.00 57.07 56.78 1bld s TYR 82 Cb -0.04 -2.60 -0.08 0.00 -0.11 0.00 0.00 41.96 39.12 1bld s TYR 82 CO 0.02 0.22 1.41 -1.17 -1.11 0.00 0.00 175.55 174.92 1bld s LEU 83 N 0.38 4.14 -0.12 -1.29 2.96 -1.25 -2.11 118.68 121.39 1bld s LEU 83 Ca 0.29 2.89 -0.08 0.00 -0.22 0.00 0.00 54.13 57.01 1bld s LEU 83 Cb -0.16 -3.92 0.04 0.00 0.50 0.00 0.00 46.19 42.65 1bld s LEU 83 CO 0.14 -1.12 0.30 0.00 -1.32 0.00 0.00 176.35 174.35 1bld s ALA 84 N -1.21 -0.74 -0.20 5.97 0.00 -0.20 -4.47 121.76 120.92 1bld s ALA 84 Ca 0.60 1.03 -0.14 0.00 0.00 0.00 0.00 51.96 53.46 1bld s ALA 84 Cb -0.43 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 1bld s ALA 84 CO 0.56 -0.19 0.29 1.41 0.00 0.00 0.00 175.76 177.83 1bld s MET 85 N 0.79 4.17 1.17 0.00 1.75 -1.17 -2.22 119.30 123.78 1bld s MET 85 Ca -0.05 0.02 -0.19 0.00 -1.25 0.00 0.00 55.69 54.22 1bld s MET 85 Cb -0.06 -3.51 0.28 0.00 2.84 0.00 0.00 34.83 34.38 1bld s MET 85 CO -0.05 0.07 1.17 0.15 -0.65 0.00 0.00 175.02 175.70 1bld s LYS 86 N 0.99 -0.96 0.13 4.11 -0.14 -0.96 -4.96 119.74 117.96 1bld s LYS 86 Ca 0.15 -0.22 0.04 0.00 -1.36 0.00 0.00 55.97 54.58 1bld s LYS 86 Cb -0.14 -1.64 -0.15 0.00 -1.68 0.00 0.00 37.83 34.22 1bld s LYS 86 CO 0.05 -3.51 1.29 1.05 -0.76 0.00 0.00 175.35 173.47 1bld h GLU 87 N -2.43 0.09 -0.05 1.68 4.11 -1.98 -3.31 114.58 112.69 1bld h GLU 87 Ca -0.44 -0.14 -0.03 0.00 0.07 0.00 0.00 59.36 58.82 1bld h GLU 87 Cb 1.27 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 1bld h GLU 87 CO 0.32 1.02 -0.09 0.38 0.07 0.00 0.00 179.01 180.71 1bld h ASP 88 N 0.04 0.17 0.00 3.06 2.03 -2.04 -3.47 116.42 116.21 1bld h ASP 88 Ca -0.04 -0.54 0.00 0.00 -0.73 0.00 0.00 57.03 55.71 1bld h ASP 88 Cb 1.72 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 40.18 1bld h ASP 88 CO 0.14 0.68 0.00 0.61 -1.03 0.00 0.00 179.24 179.65 1bld n GLY 89 N 0.38 0.26 3.69 7.15 0.00 -1.25 -4.75 105.19 110.67 1bld n GLY 89 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 4.28 -0.07 1.61 0.52 -1.26 -3.51 118.95 120.51 1bld s ARG 90 Ca 0.00 1.93 -0.17 0.00 -0.52 0.00 0.00 55.73 56.97 1bld s ARG 90 Cb 0.00 -3.60 -0.05 0.00 0.52 0.00 0.00 34.95 31.82 1bld s ARG 90 CO 0.00 -0.58 0.44 -0.51 0.02 0.00 0.00 175.30 174.67 1bld s LEU 91 N 2.50 4.35 0.33 2.53 1.02 -1.26 -2.26 118.68 125.89 1bld s LEU 91 Ca 0.63 0.85 -0.02 0.00 0.02 0.00 0.00 54.13 55.60 1bld s LEU 91 Cb -0.30 -2.63 -0.00 0.00 0.02 0.00 0.00 46.19 43.28 1bld s LEU 91 CO 0.26 0.14 0.45 -1.48 0.02 0.00 0.00 176.35 175.74 1bld s LEU 92 N -0.06 1.02 0.22 1.79 0.05 -0.94 -4.40 118.68 116.36 1bld s LEU 92 Ca 0.24 -1.47 0.10 0.00 0.05 0.00 0.00 54.13 53.06 1bld s LEU 92 Cb -0.16 1.40 -0.04 0.00 -2.05 0.00 0.00 46.19 45.34 1bld s LEU 92 CO 0.11 -1.26 -0.14 0.00 -0.55 0.00 0.00 176.35 174.51 1bld s ALA 93 N -3.16 2.84 0.12 1.48 0.00 -1.17 -1.04 121.76 120.83 1bld s ALA 93 Ca 0.31 -1.64 -0.07 0.00 0.00 0.00 0.00 51.96 50.56 1bld s ALA 93 Cb -0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 1bld s ALA 93 CO 0.20 0.38 0.18 0.45 0.00 0.00 0.00 175.76 176.97 1bld s SER 94 N -3.10 0.16 -0.01 0.00 0.15 -0.89 -4.87 113.70 105.14 1bld s SER 94 Ca 0.26 -0.86 -0.13 0.00 0.70 0.00 0.00 55.95 55.92 1bld s SER 94 Cb -0.07 0.36 -0.33 0.00 -1.71 0.00 0.00 66.02 64.26 1bld s SER 94 CO 0.15 -0.78 0.82 0.11 1.20 0.00 0.00 173.24 174.74 1bld h LYS 95 N 2.73 0.46 -5.43 5.44 1.57 -1.88 0.53 116.57 119.99 1bld h LYS 95 Ca -0.33 -0.78 -0.61 0.00 -1.87 0.00 0.00 60.65 57.06 1bld h LYS 95 Cb 1.20 0.29 -0.12 0.00 0.08 0.00 0.00 32.23 33.69 1bld h LYS 95 CO 0.55 1.37 -0.07 0.45 -0.57 0.00 0.00 179.45 181.18 1bld s SER 96 N -7.42 6.48 0.56 0.86 0.15 -1.26 -4.61 113.70 108.45 1bld s SER 96 Ca -0.13 0.57 -0.16 0.00 0.70 0.00 0.00 55.95 56.94 1bld s SER 96 Cb 0.05 -2.27 -0.06 0.00 -1.71 0.00 0.00 66.02 62.03 1bld s SER 96 CO 0.90 -0.20 1.02 0.54 1.20 0.00 0.00 173.24 176.70 1bld s VAL 97 N 1.82 4.18 0.26 4.45 0.11 -1.26 -4.90 120.40 125.06 1bld s VAL 97 Ca 0.22 1.03 -0.00 0.00 -2.93 0.00 0.00 61.98 60.29 1bld s VAL 97 Cb -0.15 -3.56 0.00 0.00 -1.53 0.00 0.00 36.38 31.14 1bld s VAL 97 CO 0.09 -0.61 0.34 0.35 -3.33 0.00 0.00 175.10 171.94 1bld n THR 98 N -1.84 0.00 0.31 5.04 -2.24 -1.26 -5.00 114.28 109.29 1bld n THR 98 Ca 0.08 -1.38 0.19 0.00 -2.27 0.00 0.00 64.05 60.67 1bld n THR 98 Cb 0.53 0.82 1.04 0.00 -2.10 0.00 0.00 70.33 70.63 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 1.47 0.00 -0.55 3.42 3.04 -2.02 -2.45 116.42 119.33 1bld h ASP 99 Ca -0.20 0.00 -0.33 0.00 -3.24 0.00 0.00 57.03 53.27 1bld h ASP 99 Cb 0.88 0.00 -0.13 0.00 -1.04 0.00 0.00 39.33 39.04 1bld h ASP 99 CO 0.27 0.01 0.27 -0.62 -2.04 0.00 0.00 179.24 177.13 1bld n GLU 100 N -3.44 1.92 0.00 4.15 1.02 -1.26 -3.62 120.64 119.41 1bld n GLU 100 Ca -0.03 -1.56 0.00 0.00 -0.02 0.00 0.00 57.16 55.55 1bld n GLU 100 Cb 0.10 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 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 3.46 -0.23 0.00 0.08 -1.24 -4.49 117.98 115.56 1bld s PHE 102 Ca 0.00 0.64 -0.03 0.00 0.12 0.00 0.00 56.93 57.66 1bld s PHE 102 Cb 0.00 -2.09 0.12 0.00 -0.57 0.00 0.00 43.02 40.49 1bld s PHE 102 CO 0.00 0.30 0.35 -0.06 -0.10 0.00 0.00 175.22 175.71 1bld s PHE 103 N -1.85 -0.72 0.78 0.36 0.40 -1.24 -3.27 117.98 112.44 1bld s PHE 103 Ca 0.43 0.76 -0.14 0.00 -0.60 0.00 0.00 56.93 57.37 1bld s PHE 103 Cb -0.11 -0.04 0.04 0.00 0.51 0.00 0.00 43.02 43.42 1bld s PHE 103 CO 0.26 -0.68 0.96 1.19 0.70 0.00 0.00 175.22 177.65 1bld n PHE 104 N 5.36 0.55 -3.86 0.36 3.72 -0.13 -4.08 117.46 119.37 1bld n PHE 104 Ca -0.04 0.38 -0.30 0.00 -0.05 0.00 0.00 57.45 57.44 1bld n PHE 104 Cb 0.50 -2.04 -0.14 0.00 -0.94 0.00 0.00 39.48 36.85 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 1.36 -0.07 -1.08 -6.30 -1.18 -1.58 118.70 106.21 1bld s GLU 105 Ca 0.71 -1.88 -0.19 0.00 -2.50 0.00 0.00 54.97 51.11 1bld s GLU 105 Cb -0.31 -2.73 -0.05 0.00 0.00 0.00 0.00 34.13 31.04 1bld s GLU 105 CO 0.53 -1.04 0.52 0.50 0.02 0.00 0.00 175.26 175.79 1bld s ARG 106 N 0.67 4.30 -0.09 4.30 3.52 -0.67 -4.88 118.95 126.10 1bld s ARG 106 Ca 0.14 0.56 -0.17 0.00 -0.13 0.00 0.00 55.73 56.12 1bld s ARG 106 Cb -0.21 -3.39 -0.05 0.00 -1.56 0.00 0.00 34.95 29.74 1bld s ARG 106 CO -0.08 0.26 0.46 -1.17 -0.81 0.00 0.00 175.30 173.96 1bld s LEU 107 N 0.24 4.33 0.00 -0.88 0.20 -1.26 -0.72 118.68 120.59 1bld s LEU 107 Ca 0.28 0.85 -0.03 0.00 0.69 0.00 0.00 54.13 55.92 1bld s LEU 107 Cb -0.16 -2.67 0.08 0.00 -0.43 0.00 0.00 46.19 43.01 1bld s LEU 107 CO 0.13 0.08 0.53 -0.62 -0.29 0.00 0.00 176.35 176.18 1bld n GLU 108 N 3.21 -0.02 0.04 1.98 -0.58 0.28 -4.97 120.64 120.58 1bld n GLU 108 Ca -0.09 -1.20 0.11 0.00 -0.42 0.00 0.00 57.16 55.57 1bld n GLU 108 Cb 0.52 -0.43 0.01 0.00 -0.57 0.00 0.00 31.44 30.97 1bld n GLU 108 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1bld n SER 109 N -3.10 0.61 -1.61 1.62 7.64 -1.26 -3.92 113.62 113.59 1bld n SER 109 Ca 0.08 -0.03 -0.04 0.00 1.01 0.00 0.00 58.87 59.89 1bld n SER 109 Cb 0.28 0.77 0.21 0.00 -1.01 0.00 0.00 64.21 64.46 1bld n SER 109 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1bld n ASN 110 N -2.18 3.92 -2.90 6.43 3.02 -1.26 -4.89 115.26 117.40 1bld n ASN 110 Ca 0.01 -2.82 -0.12 0.00 -0.03 0.00 0.00 54.58 51.61 1bld n ASN 110 Cb 0.48 -0.67 0.06 0.00 -0.61 0.00 0.00 39.78 39.04 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 -0.01 -4.72 -3.72 6.41 4.13 -1.25 -5.04 115.26 111.06 1bld n ASN 111 Ca 0.28 -0.54 -0.15 0.00 1.68 0.00 0.00 54.58 55.84 1bld n ASN 111 Cb 1.06 -4.23 -0.15 0.00 -1.54 0.00 0.00 39.78 34.92 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 -3.30 -0.14 -0.26 3.10 2.02 -1.26 -4.93 117.35 112.57 1bld s TYR 112 Ca 0.27 0.48 -0.16 0.00 -0.37 0.00 0.00 57.07 57.29 1bld s TYR 112 Cb -0.03 -0.17 -0.03 0.00 -0.40 0.00 0.00 41.96 41.32 1bld s TYR 112 CO 0.59 -0.19 0.41 -0.80 -1.57 0.00 0.00 175.55 173.98 1bld s ASN 113 N 1.57 6.31 -0.19 2.29 0.01 -1.11 -0.56 114.94 123.26 1bld s ASN 113 Ca -0.05 0.37 -0.12 0.00 -0.71 0.00 0.00 52.86 52.35 1bld s ASN 113 Cb -0.12 -2.23 -0.05 0.00 0.41 0.00 0.00 41.25 39.26 1bld s ASN 113 CO -0.06 -0.20 0.22 0.42 -1.51 0.00 0.00 177.10 175.97 1bld s THR 114 N 2.08 5.35 -0.38 1.60 -4.23 0.10 -3.33 115.64 116.84 1bld s THR 114 Ca 0.17 0.37 -0.17 0.00 -1.18 0.00 0.00 61.69 60.88 1bld s THR 114 Cb -0.16 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.13 1bld s THR 114 CO 0.10 0.39 0.44 -0.31 -0.54 0.00 0.00 174.62 174.70 1bld s TYR 115 N 0.56 3.18 -0.03 3.99 2.02 -1.26 -1.68 117.35 124.13 1bld s TYR 115 Ca 0.12 -0.10 -0.03 0.00 -0.37 0.00 0.00 57.07 56.69 1bld s TYR 115 Cb -0.12 -2.85 -0.04 0.00 -0.40 0.00 0.00 41.96 38.55 1bld s TYR 115 CO 0.02 -0.58 0.16 0.50 -1.57 0.00 0.00 175.55 174.08 1bld s ARG 116 N 2.19 3.37 0.27 -0.62 3.52 -0.61 -2.53 118.95 124.54 1bld s ARG 116 Ca 0.14 -0.32 -0.30 0.00 -0.13 0.00 0.00 55.73 55.13 1bld s ARG 116 Cb -0.16 -3.07 -0.09 0.00 -1.56 0.00 0.00 34.95 30.06 1bld s ARG 116 CO 0.13 0.69 1.05 0.45 -0.81 0.00 0.00 175.30 176.81 1bld s SER 117 N -1.74 7.40 0.00 -2.12 0.15 -1.07 -0.96 113.70 115.36 1bld s SER 117 Ca 0.24 2.16 0.00 0.00 0.70 0.00 0.00 55.95 59.05 1bld s SER 117 Cb -0.12 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 1bld s SER 117 CO 0.15 -0.04 0.17 -1.14 1.20 0.00 0.00 173.24 173.58 1bld n ARG 118 N 1.30 0.00 0.00 5.44 0.63 -1.20 -1.57 116.66 121.26 1bld n ARG 118 Ca -0.01 0.47 0.00 0.00 -0.92 0.00 0.00 57.85 57.38 1bld n ARG 118 Cb 0.46 -1.06 0.00 0.00 0.45 0.00 0.00 32.46 32.31 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 -1.91 0.00 -3.10 -0.14 4.81 -1.26 -2.22 118.16 114.34 1bld n LYS 119 Ca 0.00 0.28 -0.20 0.00 -0.87 0.00 0.00 58.31 57.52 1bld n LYS 119 Cb 0.00 -1.71 -0.04 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 -0.85 0.71 5.64 4.01 -1.21 -4.93 117.16 119.25 1bld n TYR 120 Ca 0.00 -3.26 0.04 0.00 -0.16 0.00 0.00 57.90 54.52 1bld n TYR 120 Cb 0.21 0.01 0.22 0.00 -0.31 0.00 0.00 39.34 39.47 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 1.25 0.00 0.11 -0.72 -2.24 -0.61 -1.87 114.28 110.19 1bld n THR 121 Ca 0.19 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.06 1bld n THR 121 Cb 0.57 -0.65 0.26 0.00 -2.10 0.00 0.00 70.33 68.41 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 -0.82 3.21 -3.66 3.42 7.64 -1.26 -4.89 113.62 117.25 1bld n SER 122 Ca 0.06 -2.04 -0.15 0.00 1.01 0.00 0.00 58.87 57.75 1bld n SER 122 Cb 0.03 -0.40 -0.08 0.00 -1.01 0.00 0.00 64.21 62.74 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 -1.28 -0.51 0.29 1.43 0.51 -0.78 -4.91 118.94 113.68 1bld s TRP 123 Ca 0.39 1.08 0.09 0.00 -2.12 0.00 0.00 56.10 55.54 1bld s TRP 123 Cb 0.21 0.24 -0.04 0.00 -0.81 0.00 0.00 33.47 33.06 1bld s TRP 123 CO 0.26 -0.40 0.05 0.71 -0.51 0.00 0.00 176.95 177.06 1bld s TYR 124 N -0.51 2.74 0.18 -1.98 1.51 -1.26 -2.60 117.35 115.42 1bld s TYR 124 Ca -0.06 -0.26 -0.25 0.00 -1.01 0.00 0.00 57.07 55.49 1bld s TYR 124 Cb -0.03 -1.34 -0.08 0.00 -0.11 0.00 0.00 41.96 40.40 1bld s TYR 124 CO 0.04 0.53 0.79 0.08 -1.11 0.00 0.00 175.55 175.89 1bld s VAL 125 N -2.34 4.35 0.05 0.71 1.01 -1.05 -4.70 120.40 118.44 1bld s VAL 125 Ca 0.33 1.70 -0.01 0.00 0.00 0.00 0.00 61.98 64.00 1bld s VAL 125 Cb -0.05 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.21 1bld s VAL 125 CO 0.21 0.47 0.09 0.00 0.00 0.00 0.00 175.10 175.88 1bld n ALA 126 N 1.45 -0.16 -2.19 5.51 0.00 -1.26 -4.72 120.51 119.14 1bld n ALA 126 Ca -0.05 -0.20 -0.07 0.00 0.00 0.00 0.00 53.44 53.12 1bld n ALA 126 Cb 0.49 0.16 -0.10 0.00 0.00 0.00 0.00 19.45 20.00 1bld n ALA 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bld s LEU 127 N 0.00 2.36 0.00 0.00 1.43 -1.26 -4.08 118.68 117.13 1bld s LEU 127 Ca 0.03 -0.93 -0.02 0.00 -1.03 0.00 0.00 54.13 52.17 1bld s LEU 127 Cb -0.00 0.29 0.06 0.00 0.03 0.00 0.00 46.19 46.57 1bld s LEU 127 CO 0.02 -0.60 0.41 0.29 0.23 0.00 0.00 176.35 176.70 1bld n LYS 128 N 0.17 0.03 0.04 1.70 5.02 -0.36 -4.64 118.16 120.13 1bld n LYS 128 Ca -0.15 -0.89 0.11 0.00 -2.02 0.00 0.00 58.31 55.36 1bld n LYS 128 Cb 0.61 -0.34 0.04 0.00 -0.02 0.00 0.00 35.03 35.31 1bld n LYS 128 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1bld n ARG 129 N -1.81 0.34 -0.06 1.97 1.85 -1.26 -3.80 116.66 113.89 1bld n ARG 129 Ca 0.06 0.02 0.11 0.00 -1.00 0.00 0.00 57.85 57.04 1bld n ARG 129 Cb 0.21 -1.63 0.42 0.00 -1.05 0.00 0.00 32.46 30.41 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 -2.09 0.16 -0.39 8.89 5.66 -1.26 -4.87 114.28 120.38 1bld n THR 130 Ca 0.02 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 1bld n THR 130 Cb 0.46 0.35 0.00 0.00 -1.55 0.00 0.00 70.33 69.58 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 1.12 0.78 3.95 1.09 0.00 -1.25 -5.05 105.19 105.83 1bld n GLY 131 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1bld n GLY 131 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bld s GLN 132 N -0.56 1.59 -0.26 1.61 1.11 -1.26 -2.31 119.66 119.57 1bld s GLN 132 Ca 0.00 -0.59 -0.15 0.00 0.01 0.00 0.00 55.36 54.63 1bld s GLN 132 Cb 0.00 -2.14 -0.04 0.00 -1.01 0.00 0.00 33.01 29.83 1bld s GLN 132 CO 0.00 -1.63 0.40 1.52 0.01 0.00 0.00 175.29 175.59 1bld s TYR 133 N -3.39 3.26 0.22 0.91 1.13 -1.26 -1.22 117.35 117.00 1bld s TYR 133 Ca 0.66 0.47 -0.30 0.00 -1.41 0.00 0.00 57.07 56.49 1bld s TYR 133 Cb -0.07 -2.59 -0.09 0.00 -1.10 0.00 0.00 41.96 38.11 1bld s TYR 133 CO 0.47 -0.22 1.29 0.21 -2.51 0.00 0.00 175.55 174.78 1bld s LYS 134 N 2.05 4.41 0.55 -3.49 2.20 -1.26 -4.80 119.74 119.40 1bld s LYS 134 Ca 0.16 2.04 -0.19 0.00 -0.36 0.00 0.00 55.97 57.63 1bld s LYS 134 Cb -0.16 -3.18 -0.09 0.00 -1.51 0.00 0.00 37.83 32.89 1bld s LYS 134 CO 0.10 -0.20 0.57 -0.11 -0.36 0.00 0.00 175.35 175.34 1bld n LEU 135 N 2.32 0.93 0.00 5.43 7.94 -1.26 -4.78 117.00 127.59 1bld n LEU 135 Ca 0.05 0.77 0.12 0.00 -1.11 0.00 0.00 56.01 55.83 1bld n LEU 135 Cb 0.43 -1.19 0.70 0.00 0.53 0.00 0.00 43.42 43.90 1bld n LEU 135 CO 0.58 -2.91 0.89 0.61 -1.11 0.00 0.00 177.39 175.44 1bld n GLY 136 N 1.73 -0.76 0.13 -3.96 0.00 -1.23 -3.04 105.19 98.06 1bld n GLY 136 Ca 0.12 -0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.99 1.76 0.00 1.61 3.41 -1.26 -4.03 113.62 114.12 1bld n SER 137 Ca 0.18 0.11 0.12 0.00 -0.26 0.00 0.00 58.87 59.02 1bld n SER 137 Cb 0.08 -0.48 0.57 0.00 -0.26 0.00 0.00 64.21 64.12 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 -3.30 0.15 -1.38 4.33 5.02 -1.17 -4.81 118.16 116.99 1bld n LYS 138 Ca -0.34 0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 55.70 1bld n LYS 138 Cb 1.04 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 34.63 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 3.57 0.00 -0.18 -4.23 -1.22 -4.99 115.64 105.76 1bld s THR 139 Ca 0.17 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 1bld s THR 139 Cb 0.16 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.90 1bld s THR 139 CO 0.42 -0.66 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1bld n GLY 140 N -1.53 -0.21 2.16 3.99 0.00 -1.26 -4.69 105.19 103.65 1bld n GLY 140 Ca 0.08 -1.53 -0.20 0.00 0.00 0.00 0.00 46.02 44.37 1bld n GLY 140 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bld n PRO 141 N -1.33 -3.80 0.00 1.61 -0.04 -1.26 -3.46 135.00 126.71 1bld n PRO 141 Ca 0.00 -1.00 0.00 0.00 -0.04 0.00 0.00 63.50 62.46 1bld n PRO 141 Cb 0.00 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 1bld n PRO 141 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bld n GLY 142 N -3.74 1.07 3.54 0.55 0.00 -1.26 -4.88 105.19 100.48 1bld n GLY 142 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 3.51 0.00 1.61 -0.21 -1.22 -4.89 119.66 118.45 1bld s GLN 143 Ca 0.00 -0.24 0.07 0.00 0.02 0.00 0.00 55.36 55.21 1bld s GLN 143 Cb 0.00 -3.85 0.40 0.00 1.00 0.00 0.00 33.01 30.55 1bld s GLN 143 CO 0.00 -0.74 0.80 1.63 -2.12 0.00 0.00 175.29 174.85 1bld n LYS 144 N 5.86 0.29 0.00 2.91 5.02 -1.26 -2.96 118.16 128.02 1bld n LYS 144 Ca -0.04 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.28 1bld n LYS 144 Cb 0.48 -1.36 0.17 0.00 -0.02 0.00 0.00 35.03 34.31 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 -0.86 1.76 0.12 7.82 0.00 -1.26 -1.16 120.51 126.94 1bld n ALA 145 Ca 0.05 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.57 1bld n ALA 145 Cb 0.02 -1.09 0.24 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.90 0.64 -3.10 0.00 -5.35 -1.16 -4.48 119.36 105.01 1bld n ILE 146 Ca 0.04 -0.82 -0.45 0.00 -0.27 0.00 0.00 62.75 61.26 1bld n ILE 146 Cb 0.02 0.86 -0.03 0.00 -1.74 0.00 0.00 39.64 38.75 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 -1.34 5.60 0.35 7.28 1.43 -0.31 -4.24 118.68 127.46 1bld s LEU 147 Ca 0.41 -1.90 0.05 0.00 -1.03 0.00 0.00 54.13 51.66 1bld s LEU 147 Cb 0.23 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 1bld s LEU 147 CO 0.31 -0.98 0.51 -0.36 0.23 0.00 0.00 176.35 176.06 1bld s PHE 148 N 2.12 3.19 -0.40 0.29 0.40 -1.21 -3.08 117.98 119.28 1bld s PHE 148 Ca 0.19 -0.08 0.08 0.00 -0.60 0.00 0.00 56.93 56.52 1bld s PHE 148 Cb -0.15 -2.01 0.24 0.00 0.51 0.00 0.00 43.02 41.61 1bld s PHE 148 CO -0.02 -0.03 0.54 -0.11 0.70 0.00 0.00 175.22 176.30 1bld n LEU 149 N -1.72 -0.19 -4.59 -0.37 7.94 -0.73 -2.76 117.00 114.57 1bld n LEU 149 Ca -0.01 -4.52 -0.42 0.00 -1.11 0.00 0.00 56.01 49.95 1bld n LEU 149 Cb 0.58 0.65 -0.03 0.00 0.53 0.00 0.00 43.42 45.15 1bld n LEU 149 CO 0.44 2.05 1.74 -2.84 -1.11 0.00 0.00 177.39 177.66 1bld s PRO 150 N -0.90 3.02 -0.17 1.96 0.02 -1.26 -3.70 135.00 133.97 1bld s PRO 150 Ca 0.35 1.61 -0.14 0.00 0.02 0.00 0.00 61.00 62.84 1bld s PRO 150 Cb 0.16 -4.34 -0.05 0.00 0.02 0.00 0.00 34.50 30.30 1bld s PRO 150 CO -0.13 -2.22 0.30 -1.64 -0.33 0.00 0.00 177.00 172.98 1bld s MET 151 N 6.41 4.24 0.61 5.54 -1.94 -0.99 -4.88 119.30 128.28 1bld s MET 151 Ca 0.90 0.08 -0.17 0.00 -1.71 0.00 0.00 55.69 54.80 1bld s MET 151 Cb -0.25 -3.45 -0.02 0.00 2.01 0.00 0.00 34.83 33.11 1bld s MET 151 CO 0.32 0.18 1.11 0.45 -0.01 0.00 0.00 175.02 177.08 1bld s SER 152 N 0.60 5.38 -1.20 3.03 0.15 -1.26 -2.43 113.70 117.98 1bld s SER 152 Ca 0.16 2.05 -0.05 0.00 0.70 0.00 0.00 55.95 58.81 1bld s SER 152 Cb -0.13 -2.56 0.14 0.00 -1.71 0.00 0.00 66.02 61.75 1bld s SER 152 CO 0.04 -1.45 2.37 0.00 1.20 0.00 0.00 173.24 175.41 1bld n ALA 153 N -1.98 6.70 -0.86 5.45 0.00 -1.22 -4.67 120.51 123.93 1bld n ALA 153 Ca 0.11 -4.03 0.00 0.00 0.00 0.00 0.00 53.44 49.52 1bld n ALA 153 Cb 0.52 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 17.33 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 1.43 0.00 0.00 0.00 5.02 -1.26 -4.98 118.16 118.37 1bld n LYS 154 Ca 0.59 0.03 0.15 0.00 -2.02 0.00 0.00 58.31 57.06 1bld n LYS 154 Cb 0.28 -0.26 0.76 0.00 -0.02 0.00 0.00 35.03 35.79 1bld n LYS 154 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31