#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bld n ALA 2 N 0.00 -3.71 -1.70 3.04 0.00 -1.26 -4.02 120.51 112.86 1bld n ALA 2 Ca 0.00 0.58 -0.17 0.00 0.00 0.00 0.00 53.44 53.85 1bld n ALA 2 Cb 0.00 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.03 1bld n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1bld s GLU 3 N -2.84 1.84 0.00 0.00 2.02 -1.26 -4.45 118.70 114.00 1bld s GLU 3 Ca 0.00 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.26 1bld s GLU 3 Cb 0.00 -4.86 0.00 0.00 0.10 0.00 0.00 34.13 29.37 1bld s GLU 3 CO 0.00 -4.19 0.00 0.41 0.02 0.00 0.00 175.26 171.50 1bld n GLY 4 N 6.82 0.07 0.44 -1.39 0.00 -1.26 -4.63 105.19 105.25 1bld n GLY 4 Ca 0.45 -1.31 0.23 0.00 0.00 0.00 0.00 46.02 45.39 1bld n GLY 4 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bld h GLU 5 N 0.00 0.00 -5.07 1.61 3.07 -1.73 -3.40 114.58 109.06 1bld h GLU 5 Ca 0.00 0.00 -0.40 0.00 -0.50 0.00 0.00 59.36 58.46 1bld h GLU 5 Cb 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 27.77 1bld h GLU 5 CO 0.00 0.00 -0.63 0.42 -1.40 0.00 0.00 179.01 177.40 1bld s ILE 6 N -4.47 0.94 0.03 3.13 1.09 -1.26 -4.97 121.20 115.69 1bld s ILE 6 Ca -0.03 -2.01 0.01 0.00 -1.10 0.00 0.00 60.65 57.51 1bld s ILE 6 Cb 0.14 -2.57 -0.00 0.00 -1.06 0.00 0.00 42.46 38.97 1bld s ILE 6 CO 0.47 -0.13 0.02 1.07 -0.10 0.00 0.00 174.94 176.27 1bld n THR 7 N -0.51 0.00 -3.88 2.92 5.66 -1.26 -4.88 114.28 112.33 1bld n THR 7 Ca -0.03 -0.23 -0.26 0.00 -3.05 0.00 0.00 64.05 60.48 1bld n THR 7 Cb 0.65 0.11 0.01 0.00 -1.55 0.00 0.00 70.33 69.55 1bld n THR 7 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1bld n THR 8 N -0.06 -3.12 -0.04 1.09 -1.04 -1.26 -4.88 114.28 104.97 1bld n THR 8 Ca 0.01 -0.33 -0.13 0.00 -2.04 0.00 0.00 64.05 61.55 1bld n THR 8 Cb 0.06 -3.01 -0.09 0.00 -1.82 0.00 0.00 70.33 65.47 1bld n THR 8 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1bld h LEU 9 N -1.88 0.21 -8.91 -4.42 4.07 -2.01 -3.42 115.31 98.96 1bld h LEU 9 Ca -0.61 -0.52 -0.58 0.00 0.08 0.00 0.00 57.88 56.25 1bld h LEU 9 Cb 1.37 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 43.03 1bld h LEU 9 CO 0.63 0.69 1.37 -2.84 -1.08 0.00 0.00 178.44 177.21 1bld s PRO 10 N -4.13 3.23 0.00 1.13 0.02 -1.26 -4.88 135.00 129.10 1bld s PRO 10 Ca -0.15 1.67 0.00 0.00 0.02 0.00 0.00 61.00 62.54 1bld s PRO 10 Cb 0.03 -4.28 0.00 0.00 0.02 0.00 0.00 34.50 30.28 1bld s PRO 10 CO 0.72 -1.98 0.00 0.00 -0.33 0.00 0.00 177.00 175.41 1bld n ALA 11 N 10.96 0.00 -3.19 -1.55 0.00 -1.26 -5.10 120.51 120.36 1bld n ALA 11 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.47 1bld n ALA 11 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 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 0.36 0.00 0.00 7.94 -1.26 -5.12 117.00 118.92 1bld n LEU 12 Ca 0.00 -4.77 0.00 0.00 -1.11 0.00 0.00 56.01 50.13 1bld n LEU 12 Cb 0.00 0.63 0.00 0.00 0.53 0.00 0.00 43.42 44.58 1bld n LEU 12 CO 0.00 2.11 0.00 -0.81 -1.11 0.00 0.00 177.39 177.58 1bld n PRO 13 N 1.18 -1.56 -1.53 1.96 -0.05 -1.26 -4.80 135.00 128.93 1bld n PRO 13 Ca 0.22 0.00 -0.34 0.00 -0.05 0.00 0.00 63.50 63.33 1bld n PRO 13 Cb 0.55 0.00 -0.04 0.00 -0.05 0.00 0.00 33.50 33.96 1bld n PRO 13 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 175.50 173.54 1bld n GLU 14 N -1.76 3.64 0.21 0.54 2.13 -1.26 -4.67 120.64 119.46 1bld n GLU 14 Ca 0.00 -2.50 0.04 0.00 0.66 0.00 0.00 57.16 55.37 1bld n GLU 14 Cb 0.00 -2.55 0.24 0.00 0.27 0.00 0.00 31.44 29.39 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 4.35 0.00 0.00 4.31 3.32 -2.01 -3.45 116.42 122.94 1bld h ASP 15 Ca 0.67 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.72 1bld h ASP 15 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1bld h ASP 15 CO 1.36 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 179.49 1bld n GLY 16 N -1.29 1.76 0.57 2.75 0.00 -1.26 -4.82 105.19 102.91 1bld n GLY 16 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1bld n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bld n GLY 17 N 0.00 0.82 1.68 -0.02 0.00 -1.26 -4.95 105.19 101.45 1bld n GLY 17 Ca 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 1bld n GLY 17 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bld n SER 18 N -0.57 5.48 -4.54 1.61 2.88 -1.26 -4.80 113.62 112.41 1bld n SER 18 Ca 0.00 -2.77 -0.43 0.00 -1.33 0.00 0.00 58.87 54.34 1bld n SER 18 Cb 0.21 -0.98 -0.08 0.00 -0.75 0.00 0.00 64.21 62.61 1bld n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bld n GLY 19 N 0.57 -0.39 2.97 0.46 0.00 -1.26 -4.81 105.19 102.73 1bld n GLY 19 Ca 0.20 0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.33 1bld n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bld s ALA 20 N -3.28 -4.56 -0.87 4.61 0.00 -1.26 -5.02 121.76 111.38 1bld s ALA 20 Ca 0.82 1.44 -0.05 0.00 0.00 0.00 0.00 51.96 54.17 1bld s ALA 20 Cb -0.48 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1bld s ALA 20 CO 1.03 -2.31 0.64 1.19 0.00 0.00 0.00 175.76 176.31 1bld n PHE 21 N 4.46 -2.12 -0.21 0.00 3.72 -1.26 -4.85 117.46 117.19 1bld n PHE 21 Ca 0.08 0.78 -0.02 0.00 -0.05 0.00 0.00 57.45 58.24 1bld n PHE 21 Cb 0.61 -3.04 0.08 0.00 -0.94 0.00 0.00 39.48 36.20 1bld n PHE 21 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1bld h PRO 22 N -0.50 0.62 -6.03 -1.08 0.11 -1.92 -3.40 132.00 119.79 1bld h PRO 22 Ca -0.54 -0.04 -0.54 0.00 0.11 0.00 0.00 66.00 64.99 1bld h PRO 22 Cb 1.33 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1bld h PRO 22 CO 0.38 0.41 1.40 -2.14 -0.21 0.00 0.00 178.00 177.84 1bld s PRO 23 N -6.11 2.91 0.00 1.05 0.02 -1.26 -4.53 135.00 127.08 1bld s PRO 23 Ca -0.13 1.35 0.00 0.00 0.02 0.00 0.00 61.00 62.24 1bld s PRO 23 Cb 0.15 -4.34 0.00 0.00 0.02 0.00 0.00 34.50 30.33 1bld s PRO 23 CO 0.75 -2.36 0.00 0.41 -0.33 0.00 0.00 177.00 175.47 1bld n GLY 24 N 5.65 0.26 2.59 0.52 0.00 -1.26 -4.92 105.19 108.03 1bld n GLY 24 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1bld n GLY 24 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bld n HIS 25 N 0.00 2.66 0.16 1.61 1.44 -1.26 -4.77 115.22 115.06 1bld n HIS 25 Ca 0.00 -2.70 0.00 0.00 -2.01 0.00 0.00 57.72 53.01 1bld n HIS 25 Cb 0.00 -1.56 0.00 0.00 0.12 0.00 0.00 29.99 28.55 1bld n HIS 25 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1bld n PHE 26 N 1.10 0.00 1.00 -1.40 3.01 -1.26 -4.21 117.46 115.70 1bld n PHE 26 Ca 0.54 -0.50 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1bld n PHE 26 Cb 0.26 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.42 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 1.17 0.75 -3.78 -1.08 2.85 -1.26 -4.71 118.16 112.10 1bld n LYS 27 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 1bld n LYS 27 Cb 0.33 -1.25 -0.09 0.00 -0.65 0.00 0.00 35.03 33.38 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 -0.60 -0.17 1.35 -5.58 1.01 -1.26 -5.16 116.67 106.26 1bld s ASP 28 Ca 0.00 0.10 -0.19 0.00 0.71 0.00 0.00 52.55 53.17 1bld s ASP 28 Cb 0.00 0.33 0.35 0.00 1.01 0.00 0.00 42.92 44.61 1bld s ASP 28 CO 0.00 -0.40 0.95 -2.16 0.21 0.00 0.00 175.17 173.77 1bld s PRO 29 N -1.16 -2.38 0.29 8.23 0.04 -1.26 -4.75 135.00 134.01 1bld s PRO 29 Ca -0.12 0.45 -0.02 0.00 0.04 0.00 0.00 61.00 61.35 1bld s PRO 29 Cb -0.05 -1.41 -0.01 0.00 0.04 0.00 0.00 34.50 33.06 1bld s PRO 29 CO 0.03 -4.59 0.36 0.15 0.04 0.00 0.00 177.00 172.99 1bld s LYS 30 N -4.76 1.66 -0.09 4.56 1.02 -1.18 -2.74 119.74 118.23 1bld s LYS 30 Ca 0.69 -1.70 -0.01 0.00 0.02 0.00 0.00 55.97 54.97 1bld s LYS 30 Cb -0.19 0.39 0.03 0.00 -0.52 0.00 0.00 37.83 37.53 1bld s LYS 30 CO 0.61 -0.65 -0.02 1.03 -0.92 0.00 0.00 175.35 175.40 1bld s ARG 31 N -3.54 0.90 -0.64 1.68 0.52 -0.03 -3.79 118.95 114.06 1bld s ARG 31 Ca 0.33 -0.01 -0.25 0.00 -0.52 0.00 0.00 55.73 55.28 1bld s ARG 31 Cb 0.02 -1.17 0.05 0.00 0.52 0.00 0.00 34.95 34.36 1bld s ARG 31 CO 0.18 -0.29 1.07 -0.51 0.02 0.00 0.00 175.30 175.76 1bld s LEU 32 N 1.89 3.88 -0.33 2.53 1.43 -1.26 -1.61 118.68 125.21 1bld s LEU 32 Ca 0.05 -0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 52.45 1bld s LEU 32 Cb -0.12 -2.66 -0.01 0.00 0.03 0.00 0.00 46.19 43.43 1bld s LEU 32 CO -0.06 -1.49 0.38 -0.47 0.23 0.00 0.00 176.35 174.94 1bld s TYR 33 N 4.57 3.21 -0.56 0.29 5.04 -1.23 -2.46 117.35 126.21 1bld s TYR 33 Ca 0.30 0.06 -0.26 0.00 -2.44 0.00 0.00 57.07 54.73 1bld s TYR 33 Cb -0.12 -2.69 0.04 0.00 0.35 0.00 0.00 41.96 39.53 1bld s TYR 33 CO 0.16 -0.42 1.06 0.00 -1.34 0.00 0.00 175.55 175.01 1bld h LYS 35 N 9.42 0.00 -6.45 0.00 3.11 -1.85 -1.26 116.57 119.54 1bld h LYS 35 Ca -0.26 0.00 -0.55 0.00 -2.81 0.00 0.00 60.65 57.04 1bld h LYS 35 Cb 1.07 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 32.23 1bld h LYS 35 CO 1.13 0.00 1.07 -0.80 -2.81 0.00 0.00 179.45 178.04 1bld s ASN 36 N -5.70 6.21 0.00 4.20 0.02 -1.26 -3.00 114.94 115.41 1bld s ASN 36 Ca -0.05 0.20 0.00 0.00 -1.02 0.00 0.00 52.86 51.99 1bld s ASN 36 Cb 0.18 -2.55 0.00 0.00 0.02 0.00 0.00 41.25 38.91 1bld s ASN 36 CO 0.67 -1.66 0.00 0.61 0.02 0.00 0.00 177.10 176.74 1bld n GLY 37 N 5.21 0.69 3.75 0.66 0.00 -1.26 -4.04 105.19 110.21 1bld n GLY 37 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1bld n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bld n GLY 38 N -2.33 -1.04 3.46 -0.02 0.00 -0.53 -4.95 105.19 99.79 1bld n GLY 38 Ca 0.00 0.46 -0.33 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.35 2.90 -0.34 1.61 0.08 -0.88 -4.58 117.98 113.43 1bld s PHE 39 Ca 0.36 -0.37 -0.18 0.00 0.12 0.00 0.00 56.93 56.86 1bld s PHE 39 Cb -0.15 -1.85 -0.01 0.00 -0.57 0.00 0.00 43.02 40.45 1bld s PHE 39 CO 0.89 -0.02 0.53 -0.06 -0.10 0.00 0.00 175.22 176.46 1bld s PHE 40 N 0.07 3.19 0.37 0.36 0.08 -0.60 -0.64 117.98 120.81 1bld s PHE 40 Ca -0.03 0.28 -0.25 0.00 0.12 0.00 0.00 56.93 57.05 1bld s PHE 40 Cb -0.14 -2.93 -0.13 0.00 -0.57 0.00 0.00 43.02 39.26 1bld s PHE 40 CO 0.04 -0.51 0.81 -0.11 -0.10 0.00 0.00 175.22 175.35 1bld n LEU 41 N 5.76 1.18 -3.61 -0.37 7.94 -1.03 -1.22 117.00 125.64 1bld n LEU 41 Ca -0.04 1.04 -0.11 0.00 -1.11 0.00 0.00 56.01 55.79 1bld n LEU 41 Cb 0.49 -1.22 -0.11 0.00 0.53 0.00 0.00 43.42 43.11 1bld n LEU 41 CO 0.45 -2.06 -0.06 -0.60 -1.11 0.00 0.00 177.39 174.00 1bld s ARG 42 N -1.66 0.25 -0.52 1.96 3.52 0.27 -4.66 118.95 118.10 1bld s ARG 42 Ca 0.62 0.82 -0.22 0.00 -0.13 0.00 0.00 55.73 56.82 1bld s ARG 42 Cb -0.64 0.01 0.05 0.00 -1.56 0.00 0.00 34.95 32.81 1bld s ARG 42 CO 0.58 -0.33 0.79 0.42 -0.81 0.00 0.00 175.30 175.95 1bld s ILE 43 N 2.51 4.62 0.60 4.11 1.01 -1.26 -2.11 121.20 130.69 1bld s ILE 43 Ca 0.02 -0.03 -0.18 0.00 0.00 0.00 0.00 60.65 60.46 1bld s ILE 43 Cb -0.13 -4.41 -0.03 0.00 0.01 0.00 0.00 42.46 37.90 1bld s ILE 43 CO -0.11 -0.94 1.17 -1.00 0.00 0.00 0.00 174.94 174.06 1bld s HIS 44 N 3.31 2.47 0.58 3.97 3.76 -0.88 -4.68 115.29 123.82 1bld s HIS 44 Ca 0.24 1.54 0.28 0.00 -0.15 0.00 0.00 55.06 56.96 1bld s HIS 44 Cb -0.15 -3.38 1.63 0.00 1.11 0.00 0.00 32.58 31.79 1bld s HIS 44 CO 0.16 -1.98 2.11 -1.35 -0.85 0.00 0.00 174.74 172.83 1bld h PRO 45 N 0.73 0.00 0.00 8.40 0.10 -1.92 0.29 132.00 139.59 1bld h PRO 45 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.61 1bld h PRO 45 Cb 1.28 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.38 1bld h PRO 45 CO 0.55 0.00 0.00 -0.40 0.10 0.00 0.00 178.00 178.25 1bld n ASP 46 N -3.90 0.00 0.00 -2.05 5.68 -1.26 -4.84 116.55 110.18 1bld n ASP 46 Ca 0.01 -0.74 0.00 0.00 -0.50 0.00 0.00 54.79 53.56 1bld n ASP 46 Cb 0.30 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 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 0.52 2.76 3.68 6.12 0.00 0.10 -4.91 105.19 113.47 1bld n GLY 47 Ca 0.18 -0.02 -0.51 0.00 0.00 0.00 0.00 46.02 45.67 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 1.84 -3.44 1.61 1.74 -1.26 -3.49 116.66 113.66 1bld n ARG 48 Ca 0.00 0.67 -0.38 0.00 -0.77 0.00 0.00 57.85 57.37 1bld n ARG 48 Cb 0.00 -2.46 -0.06 0.00 -1.02 0.00 0.00 32.46 28.92 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 3.45 5.01 -0.10 1.55 1.01 -1.26 -2.08 120.40 127.99 1bld s VAL 49 Ca 0.93 0.90 -0.30 0.00 0.00 0.00 0.00 61.98 63.51 1bld s VAL 49 Cb -0.81 -3.75 0.10 0.00 0.00 0.00 0.00 36.38 31.92 1bld s VAL 49 CO 0.54 0.54 0.87 1.51 0.00 0.00 0.00 175.10 178.55 1bld s ASP 50 N -0.80 -0.47 0.33 3.32 -4.77 -0.90 -4.32 116.67 109.05 1bld s ASP 50 Ca 0.25 0.46 0.00 0.00 -3.30 0.00 0.00 52.55 49.96 1bld s ASP 50 Cb -0.17 0.40 -0.03 0.00 -1.09 0.00 0.00 42.92 42.03 1bld s ASP 50 CO 0.14 -0.48 0.53 -0.83 0.70 0.00 0.00 175.17 175.22 1bld s GLY 51 N -1.33 1.38 -0.09 2.12 0.00 -1.19 -0.57 107.32 107.64 1bld s GLY 51 Ca -0.04 -0.91 -0.10 0.00 0.00 0.00 0.00 44.72 43.66 1bld s GLY 51 CO 0.03 -0.85 0.28 -1.34 0.00 0.00 0.00 173.10 171.22 1bld s VAL 52 N -2.26 0.01 -1.25 1.40 -7.23 -0.36 -4.79 120.40 105.93 1bld s VAL 52 Ca 0.40 -0.10 0.06 0.00 -1.81 0.00 0.00 61.98 60.53 1bld s VAL 52 Cb -0.10 -0.43 0.24 0.00 0.56 0.00 0.00 36.38 36.65 1bld s VAL 52 CO 0.35 -0.05 1.01 0.54 -0.31 0.00 0.00 175.10 176.63 1bld n ARG 53 N 2.64 1.98 -3.14 4.82 1.74 -1.26 -1.55 116.66 121.89 1bld n ARG 53 Ca -0.14 -0.95 -0.45 0.00 -0.77 0.00 0.00 57.85 55.53 1bld n ARG 53 Cb 0.58 -1.53 -0.02 0.00 -1.02 0.00 0.00 32.46 30.47 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 -1.61 3.70 0.00 5.56 2.02 -1.26 -4.83 118.70 122.27 1bld s GLU 54 Ca 0.17 -2.26 0.03 0.00 0.02 0.00 0.00 54.97 52.93 1bld s GLU 54 Cb 0.11 -4.69 0.16 0.00 0.10 0.00 0.00 34.13 29.81 1bld s GLU 54 CO 0.07 -1.52 0.89 0.36 0.02 0.00 0.00 175.26 175.09 1bld n LYS 55 N 5.03 0.05 -0.70 1.61 2.85 -1.26 -1.84 118.16 123.89 1bld n LYS 55 Ca 0.21 0.23 -0.14 0.00 -1.05 0.00 0.00 58.31 57.56 1bld n LYS 55 Cb 0.47 -1.50 0.09 0.00 -0.65 0.00 0.00 35.03 33.44 1bld n LYS 55 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1bld n SER 56 N -1.26 3.74 -4.08 -5.58 3.41 -1.26 -4.17 113.62 104.42 1bld n SER 56 Ca 0.02 -2.91 -0.35 0.00 -0.26 0.00 0.00 58.87 55.36 1bld n SER 56 Cb 0.02 -0.72 -0.11 0.00 -0.26 0.00 0.00 64.21 63.14 1bld n SER 56 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bld s ASP 57 N -0.25 5.11 0.00 4.04 1.01 -0.77 -4.92 116.67 120.90 1bld s ASP 57 Ca 0.32 -2.62 0.00 0.00 0.71 0.00 0.00 52.55 50.96 1bld s ASP 57 Cb 0.27 -1.81 0.00 0.00 1.01 0.00 0.00 42.92 42.38 1bld s ASP 57 CO 0.05 -0.40 0.42 -2.65 0.21 0.00 0.00 175.17 172.80 1bld n PRO 58 N 3.78 0.00 0.11 8.23 -0.02 -1.26 -1.17 135.00 144.67 1bld n PRO 58 Ca 0.05 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.65 1bld n PRO 58 Cb 0.38 -1.42 0.33 0.00 -0.02 0.00 0.00 33.50 32.77 1bld n PRO 58 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1bld h HIS 59 N 0.00 0.00 0.00 6.00 3.86 -1.97 -3.11 115.15 119.93 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 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1bld h HIS 59 CO 0.00 0.00 0.00 0.44 0.86 0.00 0.00 177.93 179.23 1bld n ILE 60 N -2.36 0.00 -2.40 2.45 -5.35 -0.32 -4.53 119.36 106.85 1bld n ILE 60 Ca 0.05 0.00 -0.37 0.00 -0.27 0.00 0.00 62.75 62.15 1bld n ILE 60 Cb 0.45 -0.46 -0.02 0.00 -1.74 0.00 0.00 39.64 37.86 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 -2.00 3.42 -0.02 6.28 -0.14 -1.18 -4.71 119.74 121.39 1bld s LYS 61 Ca 0.30 -1.53 -0.19 0.00 -1.36 0.00 0.00 55.97 53.19 1bld s LYS 61 Cb 0.14 -5.40 -0.05 0.00 -1.68 0.00 0.00 37.83 30.84 1bld s LYS 61 CO 0.24 -2.82 0.55 -0.51 -0.76 0.00 0.00 175.35 172.05 1bld s LEU 62 N 6.65 4.41 -0.56 3.17 1.43 -1.25 -3.14 118.68 129.38 1bld s LEU 62 Ca 0.58 1.09 -0.22 0.00 -1.03 0.00 0.00 54.13 54.55 1bld s LEU 62 Cb 0.01 -2.85 0.06 0.00 0.03 0.00 0.00 46.19 43.44 1bld s LEU 62 CO 0.06 0.12 0.82 -1.58 0.23 0.00 0.00 176.35 176.01 1bld s GLN 63 N -0.22 3.20 0.20 1.70 0.74 0.17 -3.09 119.66 122.36 1bld s GLN 63 Ca 0.29 -0.66 -0.11 0.00 0.05 0.00 0.00 55.36 54.93 1bld s GLN 63 Cb -0.18 -4.12 -0.07 0.00 1.10 0.00 0.00 33.01 29.75 1bld s GLN 63 CO 0.16 -1.46 0.54 -0.51 -0.55 0.00 0.00 175.29 173.47 1bld s LEU 64 N 3.43 4.22 -0.11 3.68 1.02 -1.26 -1.58 118.68 128.08 1bld s LEU 64 Ca 0.22 0.96 -0.05 0.00 0.02 0.00 0.00 54.13 55.28 1bld s LEU 64 Cb -0.16 -3.53 0.05 0.00 0.02 0.00 0.00 46.19 42.57 1bld s LEU 64 CO 0.14 -0.01 0.25 -1.58 0.02 0.00 0.00 176.35 175.17 1bld s GLN 65 N -2.53 0.17 -0.14 1.70 0.74 -0.72 -4.85 119.66 114.03 1bld s GLN 65 Ca 0.44 0.63 -0.29 0.00 0.05 0.00 0.00 55.36 56.18 1bld s GLN 65 Cb -0.12 -0.09 -0.00 0.00 1.10 0.00 0.00 33.01 33.89 1bld s GLN 65 CO 0.20 -0.22 1.02 0.00 -0.55 0.00 0.00 175.29 175.74 1bld s ALA 66 N 1.80 3.49 0.00 1.58 0.00 -1.26 -0.08 121.76 127.29 1bld s ALA 66 Ca -0.04 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1bld s ALA 66 Cb -0.11 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1bld s ALA 66 CO -0.08 -0.75 0.00 -1.91 0.00 0.00 0.00 175.76 173.02 1bld n GLU 67 N 5.43 0.00 0.00 0.00 4.07 -0.98 -4.92 120.64 124.23 1bld n GLU 67 Ca 0.10 0.13 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 1bld n GLU 67 Cb 0.48 -0.58 0.00 0.00 -0.06 0.00 0.00 31.44 31.28 1bld n GLU 67 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1bld n GLU 68 N -1.08 0.00 0.00 5.31 -0.58 -1.26 -5.03 120.64 118.01 1bld n GLU 68 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1bld n GLU 68 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1bld n GLU 68 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1bld n ARG 69 N 0.00 0.00 -0.00 3.49 -4.01 -1.26 -4.89 116.66 109.99 1bld n ARG 69 Ca 0.00 0.00 0.04 0.00 -1.04 0.00 0.00 57.85 56.85 1bld n ARG 69 Cb 0.00 -0.44 -0.06 0.00 -3.04 0.00 0.00 32.46 28.93 1bld n ARG 69 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1bld n GLY 70 N 0.52 -0.26 3.86 2.89 0.00 -1.26 -4.98 105.19 105.95 1bld n GLY 70 Ca 0.00 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.42 4.87 -0.04 1.61 1.01 -1.26 -0.35 120.40 123.81 1bld s VAL 71 Ca -0.02 0.68 -0.01 0.00 0.00 0.00 0.00 61.98 62.63 1bld s VAL 71 Cb 0.05 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.79 1bld s VAL 71 CO 0.31 0.05 0.08 0.68 0.00 0.00 0.00 175.10 176.22 1bld s VAL 72 N -1.68 -0.08 -0.40 2.92 -7.23 -1.25 -2.33 120.40 110.34 1bld s VAL 72 Ca 0.44 0.26 -0.19 0.00 -1.81 0.00 0.00 61.98 60.67 1bld s VAL 72 Cb -0.13 -0.16 0.01 0.00 0.56 0.00 0.00 36.38 36.67 1bld s VAL 72 CO 0.20 0.11 0.56 -0.44 -0.31 0.00 0.00 175.10 175.22 1bld s SER 73 N 1.40 6.31 0.11 4.85 0.01 0.89 -3.94 113.70 123.33 1bld s SER 73 Ca -0.06 -0.25 -0.13 0.00 1.31 0.00 0.00 55.95 56.83 1bld s SER 73 Cb -0.12 -2.29 -0.06 0.00 0.21 0.00 0.00 66.02 63.76 1bld s SER 73 CO -0.04 -0.63 0.49 -0.63 0.41 0.00 0.00 173.24 172.84 1bld s ILE 74 N 2.55 4.96 -0.02 1.44 1.01 -1.26 -1.76 121.20 128.11 1bld s ILE 74 Ca 0.20 0.68 -0.06 0.00 0.00 0.00 0.00 60.65 61.47 1bld s ILE 74 Cb -0.15 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.63 1bld s ILE 74 CO 0.16 0.27 0.13 -0.75 0.00 0.00 0.00 174.94 174.76 1bld s LYS 75 N -1.90 0.34 -0.06 2.79 2.20 -0.62 -4.00 119.74 118.49 1bld s LYS 75 Ca 0.35 -0.15 -0.16 0.00 -0.36 0.00 0.00 55.97 55.66 1bld s LYS 75 Cb -0.15 0.15 -0.05 0.00 -1.51 0.00 0.00 37.83 36.27 1bld s LYS 75 CO 0.19 -0.07 0.41 0.20 -0.36 0.00 0.00 175.35 175.71 1bld s GLY 76 N -0.76 2.41 0.00 5.54 0.00 -0.32 0.46 107.32 114.65 1bld s GLY 76 Ca -0.08 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.39 1bld s GLY 76 CO 0.01 0.39 0.22 -0.62 0.00 0.00 0.00 173.10 173.10 1bld n VAL 77 N 2.68 0.00 -0.07 1.40 0.31 -1.19 -1.08 118.33 120.39 1bld n VAL 77 Ca -0.11 0.55 -0.10 0.00 -0.01 0.00 0.00 64.34 64.67 1bld n VAL 77 Cb 0.52 -1.20 -0.03 0.00 -0.91 0.00 0.00 33.84 32.22 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 0.31 0.12 4.52 0.87 -1.88 -1.71 113.55 115.79 1bld h SER 78 Ca 0.00 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.47 1bld h SER 78 Cb 0.00 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1bld h SER 78 CO 0.00 0.30 -0.08 0.00 -0.53 0.00 0.00 176.83 176.52 1bld h ALA 79 N 1.03 1.65 -6.26 6.23 0.00 -1.84 -3.46 119.26 116.60 1bld h ALA 79 Ca 0.09 -0.07 -0.45 0.00 0.00 0.00 0.00 54.91 54.47 1bld h ALA 79 Cb 0.05 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1bld h ALA 79 CO -0.01 0.10 -0.86 0.09 0.00 0.00 0.00 179.25 178.56 1bld n ASN 80 N -4.12 -1.02 -3.75 0.00 4.13 -0.24 -4.94 115.26 105.32 1bld n ASN 80 Ca -0.03 -0.91 -0.13 0.00 1.68 0.00 0.00 54.58 55.19 1bld n ASN 80 Cb 0.16 -3.60 -0.09 0.00 -1.54 0.00 0.00 39.78 34.71 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 -6.21 0.62 -0.11 3.52 0.52 -1.22 -4.62 118.95 111.45 1bld s ARG 81 Ca 0.03 -0.04 -0.20 0.00 -0.52 0.00 0.00 55.73 54.99 1bld s ARG 81 Cb -0.01 0.28 -0.04 0.00 0.52 0.00 0.00 34.95 35.70 1bld s ARG 81 CO 0.85 -0.16 0.56 0.71 0.02 0.00 0.00 175.30 177.27 1bld s TYR 82 N -1.02 3.52 0.50 -0.53 1.51 0.17 -1.18 117.35 120.32 1bld s TYR 82 Ca -0.11 1.00 -0.23 0.00 -1.01 0.00 0.00 57.07 56.72 1bld s TYR 82 Cb -0.05 -2.65 -0.07 0.00 -0.11 0.00 0.00 41.96 39.08 1bld s TYR 82 CO 0.04 0.11 1.26 -0.11 -1.11 0.00 0.00 175.55 175.73 1bld n LEU 83 N 3.84 4.56 -4.09 -1.29 7.94 -1.26 -2.26 117.00 124.45 1bld n LEU 83 Ca -0.05 1.01 -0.10 0.00 -1.11 0.00 0.00 56.01 55.76 1bld n LEU 83 Cb 0.51 -1.51 -0.07 0.00 0.53 0.00 0.00 43.42 42.88 1bld n LEU 83 CO 0.44 -0.82 -0.01 0.00 -1.11 0.00 0.00 177.39 175.90 1bld s ALA 84 N -1.28 0.39 -0.05 1.96 0.00 0.86 -4.40 121.76 119.23 1bld s ALA 84 Ca 0.67 -1.25 -0.05 0.00 0.00 0.00 0.00 51.96 51.34 1bld s ALA 84 Cb -0.46 1.21 0.01 0.00 0.00 0.00 0.00 23.12 23.89 1bld s ALA 84 CO 0.53 -0.74 0.14 1.41 0.00 0.00 0.00 175.76 177.10 1bld s MET 85 N -4.07 0.17 0.68 0.00 1.75 -1.21 -1.91 119.30 114.71 1bld s MET 85 Ca 0.30 0.19 -0.05 0.00 -1.25 0.00 0.00 55.69 54.88 1bld s MET 85 Cb 0.03 0.08 0.06 0.00 2.84 0.00 0.00 34.83 37.84 1bld s MET 85 CO 0.10 -0.02 0.97 0.15 -0.65 0.00 0.00 175.02 175.57 1bld s LYS 86 N 0.05 2.22 0.21 4.11 -0.14 -0.87 -4.95 119.74 120.37 1bld s LYS 86 Ca -0.00 -0.39 0.24 0.00 -1.36 0.00 0.00 55.97 54.46 1bld s LYS 86 Cb -0.01 -2.23 0.91 0.00 -1.68 0.00 0.00 37.83 34.82 1bld s LYS 86 CO 0.00 -1.16 1.73 -0.85 -0.76 0.00 0.00 175.35 174.31 1bld n GLU 87 N -2.82 0.19 -0.03 1.68 0.00 -1.26 -3.27 120.64 115.13 1bld n GLU 87 Ca 0.08 0.32 -0.18 0.00 0.00 0.00 0.00 57.16 57.38 1bld n GLU 87 Cb 0.60 -1.80 -0.13 0.00 0.00 0.00 0.00 31.44 30.11 1bld n GLU 87 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 1bld h ASP 88 N 0.00 0.19 0.00 -1.84 3.04 -2.00 -3.48 116.42 112.32 1bld h ASP 88 Ca 0.00 -0.87 0.00 0.00 -3.24 0.00 0.00 57.03 52.92 1bld h ASP 88 Cb 0.48 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 38.71 1bld h ASP 88 CO 0.00 1.31 0.00 0.61 -2.04 0.00 0.00 179.24 179.12 1bld n GLY 89 N 1.62 0.10 3.69 7.15 0.00 -1.20 -4.23 105.19 112.32 1bld n GLY 89 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1bld n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bld s ARG 90 N 0.00 4.31 -0.01 1.61 0.52 -1.26 -2.17 118.95 121.95 1bld s ARG 90 Ca 0.00 1.86 -0.16 0.00 -0.52 0.00 0.00 55.73 56.91 1bld s ARG 90 Cb 0.00 -3.56 -0.06 0.00 0.52 0.00 0.00 34.95 31.86 1bld s ARG 90 CO 0.00 -0.52 0.45 -0.51 0.02 0.00 0.00 175.30 174.74 1bld s LEU 91 N 2.28 4.45 0.00 2.53 1.02 -1.26 -2.05 118.68 125.65 1bld s LEU 91 Ca 0.61 1.00 -0.01 0.00 0.02 0.00 0.00 54.13 55.75 1bld s LEU 91 Cb -0.29 -2.67 0.00 0.00 0.02 0.00 0.00 46.19 43.25 1bld s LEU 91 CO 0.25 0.26 0.09 0.00 0.02 0.00 0.00 176.35 176.96 1bld n LEU 92 N 2.14 0.00 -4.01 1.79 -0.00 -0.81 -4.19 117.00 111.93 1bld n LEU 92 Ca -0.12 -0.48 -0.08 0.00 -0.00 0.00 0.00 56.01 55.34 1bld n LEU 92 Cb 0.52 0.46 -0.09 0.00 -0.00 0.00 0.00 43.42 44.30 1bld n LEU 92 CO 0.39 -0.12 -0.27 0.00 -0.00 0.00 0.00 177.39 177.39 1bld s ALA 93 N -1.70 0.25 0.23 1.47 0.00 -1.23 -0.10 121.76 120.68 1bld s ALA 93 Ca 0.05 -0.98 -0.08 0.00 0.00 0.00 0.00 51.96 50.95 1bld s ALA 93 Cb -0.00 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 1bld s ALA 93 CO 0.03 -0.40 0.33 0.45 0.00 0.00 0.00 175.76 176.17 1bld s SER 94 N -2.82 0.02 0.01 0.00 0.15 -0.96 -4.83 113.70 105.28 1bld s SER 94 Ca 0.05 -1.13 -0.02 0.00 0.70 0.00 0.00 55.95 55.55 1bld s SER 94 Cb 0.06 0.50 -0.27 0.00 -1.71 0.00 0.00 66.02 64.60 1bld s SER 94 CO -0.10 -1.01 0.90 0.11 1.20 0.00 0.00 173.24 174.34 1bld h LYS 95 N 2.41 0.23 -5.90 5.44 1.57 -1.89 0.49 116.57 118.92 1bld h LYS 95 Ca -0.30 -0.39 -0.59 0.00 -1.87 0.00 0.00 60.65 57.50 1bld h LYS 95 Cb 1.25 0.15 -0.07 0.00 0.08 0.00 0.00 32.23 33.64 1bld h LYS 95 CO 0.43 1.09 -0.15 -1.12 -0.57 0.00 0.00 179.45 179.13 1bld s SER 96 N -6.95 6.77 -0.54 0.86 0.01 -1.26 -4.62 113.70 107.98 1bld s SER 96 Ca -0.08 0.92 -0.26 0.00 1.31 0.00 0.00 55.95 57.84 1bld s SER 96 Cb 0.07 -2.28 0.03 0.00 0.21 0.00 0.00 66.02 64.06 1bld s SER 96 CO 0.85 0.16 1.03 0.54 0.41 0.00 0.00 173.24 176.23 1bld s VAL 97 N -0.24 4.28 0.64 3.43 0.11 -1.26 -4.80 120.40 122.54 1bld s VAL 97 Ca 0.25 0.60 0.03 0.00 -2.93 0.00 0.00 61.98 59.93 1bld s VAL 97 Cb -0.16 -4.58 0.12 0.00 -1.53 0.00 0.00 36.38 30.22 1bld s VAL 97 CO 0.12 -1.13 0.87 0.35 -3.33 0.00 0.00 175.10 171.98 1bld n THR 98 N 6.42 0.00 0.29 5.04 -2.24 -1.26 -4.95 114.28 117.58 1bld n THR 98 Ca 0.05 -1.60 0.15 0.00 -2.27 0.00 0.00 64.05 60.38 1bld n THR 98 Cb 0.48 -0.79 0.69 0.00 -2.10 0.00 0.00 70.33 68.62 1bld n THR 98 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1bld h ASP 99 N -0.33 0.00 -1.22 3.42 3.58 -2.02 -2.91 116.42 116.95 1bld h ASP 99 Ca -0.29 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.60 1bld h ASP 99 Cb 1.16 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 42.00 1bld h ASP 99 CO 0.34 0.00 0.60 -0.62 -2.88 0.00 0.00 179.24 176.68 1bld n GLU 100 N -2.56 2.43 0.00 0.28 1.02 -1.26 -3.95 120.64 116.61 1bld n GLU 100 Ca -0.00 -2.61 0.00 0.00 -0.02 0.00 0.00 57.16 54.53 1bld n GLU 100 Cb 0.15 -2.12 0.00 0.00 -0.02 0.00 0.00 31.44 29.45 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 3.35 -0.21 0.00 0.08 -1.25 -4.45 117.98 115.50 1bld s PHE 102 Ca 0.00 0.17 -0.04 0.00 0.12 0.00 0.00 56.93 57.18 1bld s PHE 102 Cb 0.00 -1.98 0.11 0.00 -0.57 0.00 0.00 43.02 40.57 1bld s PHE 102 CO 0.00 0.01 0.35 -0.06 -0.10 0.00 0.00 175.22 175.42 1bld s PHE 103 N -2.31 -0.68 -0.16 0.36 0.40 -1.25 -3.64 117.98 110.69 1bld s PHE 103 Ca 0.42 0.97 -0.29 0.00 -0.60 0.00 0.00 56.93 57.43 1bld s PHE 103 Cb -0.10 0.04 -0.07 0.00 0.51 0.00 0.00 43.02 43.41 1bld s PHE 103 CO 0.35 -0.58 2.15 1.19 0.70 0.00 0.00 175.22 179.03 1bld n PHE 104 N 5.36 2.09 -2.72 0.36 3.72 0.68 -3.81 117.46 123.15 1bld n PHE 104 Ca -0.06 -0.16 -0.39 0.00 -0.05 0.00 0.00 57.45 56.80 1bld n PHE 104 Cb 0.50 -2.73 -0.06 0.00 -0.94 0.00 0.00 39.48 36.25 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 5.79 4.71 -0.36 -1.08 2.12 0.52 -1.04 118.70 129.36 1bld s GLU 105 Ca 0.98 1.48 0.00 0.00 0.36 0.00 0.00 54.97 57.79 1bld s GLU 105 Cb -0.41 -3.07 0.14 0.00 0.26 0.00 0.00 34.13 31.04 1bld s GLU 105 CO 0.39 0.37 0.21 1.03 -0.54 0.00 0.00 175.26 176.71 1bld s ARG 106 N -1.57 0.67 0.06 4.30 1.81 -0.78 -4.90 118.95 118.54 1bld s ARG 106 Ca 0.45 -1.40 -0.31 0.00 -1.72 0.00 0.00 55.73 52.76 1bld s ARG 106 Cb -0.24 -1.50 -0.07 0.00 -0.45 0.00 0.00 34.95 32.68 1bld s ARG 106 CO 0.30 -1.18 1.48 -1.17 -0.68 0.00 0.00 175.30 174.05 1bld s LEU 107 N 1.01 4.35 0.00 2.53 2.96 -1.26 -2.81 118.68 125.46 1bld s LEU 107 Ca 0.17 2.31 -0.01 0.00 -0.22 0.00 0.00 54.13 56.38 1bld s LEU 107 Cb -0.23 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 42.93 1bld s LEU 107 CO -0.02 -0.76 0.27 -0.62 -1.32 0.00 0.00 176.35 173.90 1bld n GLU 108 N 4.97 0.35 0.02 1.98 1.02 -0.96 -4.99 120.64 123.02 1bld n GLU 108 Ca 0.13 -0.68 0.11 0.00 -0.02 0.00 0.00 57.16 56.71 1bld n GLU 108 Cb 0.42 -0.19 0.05 0.00 -0.02 0.00 0.00 31.44 31.70 1bld n GLU 108 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1bld n SER 109 N -3.00 0.64 -1.45 1.62 2.88 -1.26 -4.03 113.62 109.01 1bld n SER 109 Ca 0.04 -0.29 -0.08 0.00 -1.33 0.00 0.00 58.87 57.21 1bld n SER 109 Cb 0.15 0.72 0.08 0.00 -0.75 0.00 0.00 64.21 64.41 1bld n SER 109 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1bld n ASN 110 N -1.85 3.26 0.00 -3.46 4.13 -1.26 -4.79 115.26 111.29 1bld n ASN 110 Ca 0.03 -2.62 0.00 0.00 1.68 0.00 0.00 54.58 53.67 1bld n ASN 110 Cb 0.41 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 38.02 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 -0.12 0.00 -4.69 6.41 3.02 -1.26 -4.90 115.26 113.73 1bld n ASN 111 Ca 0.23 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.40 1bld n ASN 111 Cb 0.94 -2.46 -0.07 0.00 -0.61 0.00 0.00 39.78 37.57 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 -1.03 3.40 0.48 3.10 2.02 -1.26 -4.90 117.35 119.16 1bld s TYR 112 Ca 0.00 0.59 0.01 0.00 -0.37 0.00 0.00 57.07 57.30 1bld s TYR 112 Cb 0.00 -2.45 0.01 0.00 -0.40 0.00 0.00 41.96 39.12 1bld s TYR 112 CO 0.00 0.08 0.70 -0.80 -1.57 0.00 0.00 175.55 173.97 1bld s ASN 113 N 0.85 5.65 -0.10 2.29 0.02 -0.83 -2.26 114.94 120.56 1bld s ASN 113 Ca 0.18 0.19 -0.04 0.00 -1.02 0.00 0.00 52.86 52.17 1bld s ASN 113 Cb -0.14 -1.32 0.05 0.00 0.02 0.00 0.00 41.25 39.86 1bld s ASN 113 CO 0.07 -0.84 0.19 0.42 0.02 0.00 0.00 177.10 176.96 1bld s THR 114 N -2.62 -0.29 -0.37 1.60 -4.23 -1.12 -2.10 115.64 106.50 1bld s THR 114 Ca 0.51 0.32 -0.21 0.00 -1.18 0.00 0.00 61.69 61.13 1bld s THR 114 Cb -0.10 -0.34 0.01 0.00 1.34 0.00 0.00 72.50 73.40 1bld s THR 114 CO 0.38 0.13 0.65 -0.31 -0.54 0.00 0.00 174.62 174.93 1bld s TYR 115 N 2.25 3.13 0.04 3.99 2.02 -1.26 -1.87 117.35 125.65 1bld s TYR 115 Ca 0.02 0.29 -0.08 0.00 -0.37 0.00 0.00 57.07 56.93 1bld s TYR 115 Cb -0.12 -3.20 -0.05 0.00 -0.40 0.00 0.00 41.96 38.19 1bld s TYR 115 CO -0.07 -0.68 0.31 0.50 -1.57 0.00 0.00 175.55 174.04 1bld s ARG 116 N 2.77 3.64 0.62 -0.62 3.52 -0.20 -2.46 118.95 126.21 1bld s ARG 116 Ca 0.25 0.00 -0.16 0.00 -0.13 0.00 0.00 55.73 55.69 1bld s ARG 116 Cb -0.14 -3.05 -0.02 0.00 -1.56 0.00 0.00 34.95 30.18 1bld s ARG 116 CO 0.16 0.61 1.10 0.45 -0.81 0.00 0.00 175.30 176.81 1bld s SER 117 N -1.75 5.39 0.00 -2.12 0.15 -1.05 -0.23 113.70 114.10 1bld s SER 117 Ca 0.30 1.99 0.00 0.00 0.70 0.00 0.00 55.95 58.94 1bld s SER 117 Cb -0.13 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1bld s SER 117 CO 0.17 -1.44 0.00 -1.14 1.20 0.00 0.00 173.24 172.03 1bld n ARG 118 N -2.09 0.00 0.00 5.44 0.63 -1.24 -2.79 116.66 116.61 1bld n ARG 118 Ca 0.10 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 1bld n ARG 118 Cb 0.52 -0.42 0.00 0.00 0.45 0.00 0.00 32.46 33.01 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 -1.60 0.00 -3.15 -0.14 4.81 -1.26 -1.81 118.16 115.00 1bld n LYS 119 Ca 0.00 0.28 -0.19 0.00 -0.87 0.00 0.00 58.31 57.54 1bld n LYS 119 Cb 0.00 -1.71 -0.03 0.00 0.02 0.00 0.00 35.03 33.31 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 -0.23 0.21 5.64 4.01 -1.26 -4.92 117.16 119.33 1bld n TYR 120 Ca 0.00 -3.60 0.01 0.00 -0.16 0.00 0.00 57.90 54.15 1bld n TYR 120 Cb 0.21 -0.22 0.08 0.00 -0.31 0.00 0.00 39.34 39.10 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 0.58 0.00 0.60 -0.72 -2.24 -0.75 -1.57 114.28 110.18 1bld n THR 121 Ca 0.22 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.07 1bld n THR 121 Cb 0.63 -0.85 0.19 0.00 -2.10 0.00 0.00 70.33 68.20 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 -0.90 2.37 -3.68 3.42 7.64 -1.26 -4.85 113.62 116.36 1bld n SER 122 Ca 0.02 -2.07 -0.14 0.00 1.01 0.00 0.00 58.87 57.69 1bld n SER 122 Cb 0.01 -0.32 -0.08 0.00 -1.01 0.00 0.00 64.21 62.81 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 -0.56 0.42 1.43 0.51 -0.61 -4.90 118.94 113.71 1bld s TRP 123 Ca 0.28 1.28 0.08 0.00 -2.12 0.00 0.00 56.10 55.61 1bld s TRP 123 Cb 0.15 0.22 -0.02 0.00 -0.81 0.00 0.00 33.47 33.01 1bld s TRP 123 CO 0.17 -0.34 0.38 0.71 -0.51 0.00 0.00 176.95 177.37 1bld s TYR 124 N -0.08 2.71 -0.16 -1.98 1.51 -1.26 -2.52 117.35 115.58 1bld s TYR 124 Ca -0.03 -0.49 -0.19 0.00 -1.01 0.00 0.00 57.07 55.35 1bld s TYR 124 Cb -0.03 -2.18 -0.03 0.00 -0.11 0.00 0.00 41.96 39.60 1bld s TYR 124 CO 0.02 -0.13 0.54 0.08 -1.11 0.00 0.00 175.55 174.96 1bld s VAL 125 N -2.47 5.11 -0.04 0.71 1.01 -1.03 -4.71 120.40 118.97 1bld s VAL 125 Ca 0.48 1.05 -0.17 0.00 0.00 0.00 0.00 61.98 63.34 1bld s VAL 125 Cb -0.03 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.51 1bld s VAL 125 CO 0.28 0.23 0.39 0.00 0.00 0.00 0.00 175.10 175.99 1bld s ALA 126 N 1.24 -0.98 0.46 5.51 0.00 -1.26 -4.55 121.76 122.17 1bld s ALA 126 Ca 0.27 0.62 0.07 0.00 0.00 0.00 0.00 51.96 52.92 1bld s ALA 126 Cb -0.16 -0.06 -0.00 0.00 0.00 0.00 0.00 23.12 22.90 1bld s ALA 126 CO 0.11 -0.27 0.38 -0.51 0.00 0.00 0.00 175.76 175.47 1bld s LEU 127 N -1.06 3.17 0.00 0.00 1.43 -1.26 -2.98 118.68 117.99 1bld s LEU 127 Ca -0.11 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 1bld s LEU 127 Cb -0.04 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.44 1bld s LEU 127 CO 0.05 -0.79 0.00 0.29 0.23 0.00 0.00 176.35 176.12 1bld n LYS 128 N -1.60 0.79 0.02 1.70 4.76 -0.73 -4.71 118.16 118.38 1bld n LYS 128 Ca 0.02 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.58 1bld n LYS 128 Cb 0.63 0.00 0.10 0.00 -1.84 0.00 0.00 35.03 33.92 1bld n LYS 128 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 1bld n ARG 129 N -0.95 0.14 0.00 1.97 1.85 -1.26 -3.79 116.66 114.63 1bld n ARG 129 Ca 0.00 0.01 0.12 0.00 -1.00 0.00 0.00 57.85 56.98 1bld n ARG 129 Cb 0.00 -1.56 0.27 0.00 -1.05 0.00 0.00 32.46 30.12 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 -1.75 0.00 -0.33 8.89 5.66 -1.26 -4.91 114.28 120.58 1bld n THR 130 Ca 0.04 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1bld n THR 130 Cb 0.38 0.73 0.00 0.00 -1.55 0.00 0.00 70.33 69.90 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 1.34 0.83 3.84 1.09 0.00 -1.25 -5.05 105.19 106.00 1bld n GLY 131 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.67 3.93 0.02 1.61 -1.52 -1.26 -3.19 119.66 118.57 1bld s GLN 132 Ca 0.00 0.42 -0.30 0.00 -1.95 0.00 0.00 55.36 53.53 1bld s GLN 132 Cb 0.00 -3.16 -0.08 0.00 -0.22 0.00 0.00 33.01 29.54 1bld s GLN 132 CO 0.00 0.65 1.88 1.52 -0.25 0.00 0.00 175.29 179.09 1bld s TYR 133 N -1.16 1.48 0.02 0.91 1.13 -1.26 -1.77 117.35 116.70 1bld s TYR 133 Ca 0.27 -0.28 -0.30 0.00 -1.41 0.00 0.00 57.07 55.34 1bld s TYR 133 Cb -0.16 -4.16 -0.06 0.00 -1.10 0.00 0.00 41.96 36.48 1bld s TYR 133 CO 0.15 -5.11 1.33 0.21 -2.51 0.00 0.00 175.55 169.63 1bld s LYS 134 N 4.31 4.32 0.30 -3.49 2.20 -1.16 -4.85 119.74 121.37 1bld s LYS 134 Ca 0.84 1.90 -0.27 0.00 -0.36 0.00 0.00 55.97 58.09 1bld s LYS 134 Cb -0.40 -3.48 -0.14 0.00 -1.51 0.00 0.00 37.83 32.29 1bld s LYS 134 CO 0.38 -0.48 0.86 -0.11 -0.36 0.00 0.00 175.35 175.64 1bld n LEU 135 N 4.90 1.04 0.00 5.43 7.94 -1.26 -4.77 117.00 130.27 1bld n LEU 135 Ca 0.12 1.13 0.06 0.00 -1.11 0.00 0.00 56.01 56.21 1bld n LEU 135 Cb 0.44 -1.21 0.33 0.00 0.53 0.00 0.00 43.42 43.52 1bld n LEU 135 CO 0.57 -1.89 0.65 0.61 -1.11 0.00 0.00 177.39 176.22 1bld n GLY 136 N 1.43 -0.66 0.09 -3.96 0.00 -0.92 -2.02 105.19 99.14 1bld n GLY 136 Ca 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 1bld n GLY 136 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bld h SER 137 N 0.00 0.00 0.24 1.61 4.64 -1.86 -3.30 113.55 114.89 1bld h SER 137 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bld h SER 137 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1bld h SER 137 CO 0.00 0.83 -0.24 0.29 -0.87 0.00 0.00 176.83 176.84 1bld n LYS 138 N -3.06 0.84 -1.28 4.77 5.02 -0.86 -4.91 118.16 118.69 1bld n LYS 138 Ca -0.11 -0.48 -0.30 0.00 -2.02 0.00 0.00 58.31 55.39 1bld n LYS 138 Cb 0.95 -1.49 0.10 0.00 -0.02 0.00 0.00 35.03 34.57 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 -2.49 3.13 0.00 -0.18 -4.23 -1.18 -4.98 115.64 105.70 1bld s THR 139 Ca 0.25 0.37 0.00 0.00 -1.18 0.00 0.00 61.69 61.12 1bld s THR 139 Cb 0.19 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1bld s THR 139 CO 0.51 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 1bld n GLY 140 N -1.29 0.44 3.53 3.99 0.00 -1.26 -4.77 105.19 105.83 1bld n GLY 140 Ca 0.08 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 1bld n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bld s PRO 141 N -1.30 -0.53 0.00 1.61 0.04 -1.26 -3.56 135.00 130.00 1bld s PRO 141 Ca 0.00 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1bld s PRO 141 Cb 0.00 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.95 1bld s PRO 141 CO 0.00 -3.50 0.00 0.41 0.04 0.00 0.00 177.00 173.95 1bld n GLY 142 N 0.66 2.35 3.71 0.56 0.00 -1.26 -4.98 105.19 106.24 1bld n GLY 142 Ca 0.05 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 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 4.53 0.00 1.61 1.11 -1.23 -4.90 119.66 120.77 1bld s GLN 143 Ca 0.00 1.45 0.23 0.00 0.01 0.00 0.00 55.36 57.05 1bld s GLN 143 Cb 0.00 -3.47 1.24 0.00 -1.01 0.00 0.00 33.01 29.77 1bld s GLN 143 CO 0.00 -0.11 1.81 1.63 0.01 0.00 0.00 175.29 178.63 1bld n LYS 144 N 4.08 1.19 0.00 2.91 4.01 -1.26 -3.69 118.16 125.40 1bld n LYS 144 Ca 0.07 -0.28 0.04 0.00 -0.51 0.00 0.00 58.31 57.62 1bld n LYS 144 Cb 0.50 -1.38 0.21 0.00 -0.51 0.00 0.00 35.03 33.86 1bld n LYS 144 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1bld n ALA 145 N -0.56 1.67 1.21 7.82 0.00 -1.26 -1.12 120.51 128.27 1bld n ALA 145 Ca 0.17 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.70 1bld n ALA 145 Cb 0.15 -1.12 0.36 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.14 0.09 -2.93 0.00 -5.35 -1.24 -4.24 119.36 104.55 1bld n ILE 146 Ca 0.05 -0.38 -0.44 0.00 -0.27 0.00 0.00 62.75 61.71 1bld n ILE 146 Cb 0.04 0.76 -0.02 0.00 -1.74 0.00 0.00 39.64 38.68 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 -1.87 5.04 0.40 7.28 1.43 -0.27 -4.34 118.68 126.34 1bld s LEU 147 Ca 0.35 -2.27 0.01 0.00 -1.03 0.00 0.00 54.13 51.19 1bld s LEU 147 Cb 0.20 -2.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 1bld s LEU 147 CO 0.31 -0.99 0.60 -0.36 0.23 0.00 0.00 176.35 176.14 1bld s PHE 148 N 2.44 3.31 -0.41 0.29 0.40 -0.89 -3.10 117.98 120.01 1bld s PHE 148 Ca 0.35 0.21 0.07 0.00 -0.60 0.00 0.00 56.93 56.96 1bld s PHE 148 Cb -0.04 -2.11 0.24 0.00 0.51 0.00 0.00 43.02 41.61 1bld s PHE 148 CO -0.07 -0.13 0.50 -0.11 0.70 0.00 0.00 175.22 176.11 1bld n LEU 149 N -1.91 0.32 -4.57 -0.37 7.94 -0.73 -1.97 117.00 115.72 1bld n LEU 149 Ca -0.01 -4.69 -0.39 0.00 -1.11 0.00 0.00 56.01 49.81 1bld n LEU 149 Cb 0.57 0.52 -0.03 0.00 0.53 0.00 0.00 43.42 45.01 1bld n LEU 149 CO 0.47 2.03 1.93 -2.84 -1.11 0.00 0.00 177.39 177.87 1bld s PRO 150 N -1.06 2.51 -0.09 1.96 0.02 -1.26 -3.54 135.00 133.55 1bld s PRO 150 Ca 0.35 1.58 -0.12 0.00 0.02 0.00 0.00 61.00 62.83 1bld s PRO 150 Cb 0.14 -4.49 -0.05 0.00 0.02 0.00 0.00 34.50 30.12 1bld s PRO 150 CO -0.12 -2.81 0.28 -1.64 -0.33 0.00 0.00 177.00 172.38 1bld s MET 151 N 7.48 3.85 1.13 5.54 -1.94 -0.63 -4.83 119.30 129.89 1bld s MET 151 Ca 0.96 0.14 -0.17 0.00 -1.71 0.00 0.00 55.69 54.91 1bld s MET 151 Cb -0.22 -3.27 0.25 0.00 2.01 0.00 0.00 34.83 33.60 1bld s MET 151 CO 0.29 0.60 1.11 0.45 -0.01 0.00 0.00 175.02 177.46 1bld s SER 152 N -0.64 1.50 -0.43 3.03 0.15 -1.26 -0.85 113.70 115.20 1bld s SER 152 Ca 0.19 0.80 0.05 0.00 0.70 0.00 0.00 55.95 57.68 1bld s SER 152 Cb -0.14 -1.18 0.19 0.00 -1.71 0.00 0.00 66.02 63.18 1bld s SER 152 CO 0.07 -3.78 0.40 0.00 1.20 0.00 0.00 173.24 171.13 1bld n ALA 153 N -4.56 2.82 -1.11 5.45 0.00 -1.11 -4.73 120.51 117.28 1bld n ALA 153 Ca 0.10 -3.28 0.00 0.00 0.00 0.00 0.00 53.44 50.26 1bld n ALA 153 Cb 0.59 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 2.44 0.00 0.00 0.00 5.02 -1.26 -4.66 118.16 119.70 1bld n LYS 154 Ca 0.27 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.72 1bld n LYS 154 Cb 0.48 -0.13 0.83 0.00 -0.02 0.00 0.00 35.03 36.19 1bld n LYS 154 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75