#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 -1.06 -3.00 3.17 0.00 -1.26 -4.87 120.51 113.50 1bld n ALA 2 Ca 0.00 0.51 -0.44 0.00 0.00 0.00 0.00 53.44 53.51 1bld n ALA 2 Cb 0.00 -2.07 -0.04 0.00 0.00 0.00 0.00 19.45 17.34 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 0.72 3.10 0.39 0.00 8.01 -1.26 -4.81 118.70 124.85 1bld s GLU 3 Ca 0.86 -1.15 0.25 0.00 0.01 0.00 0.00 54.97 54.93 1bld s GLU 3 Cb -0.98 -4.28 0.54 0.00 -4.31 0.00 0.00 34.13 25.10 1bld s GLU 3 CO 0.49 -1.66 1.68 0.78 0.01 0.00 0.00 175.26 176.55 1bld h GLY 4 N 10.54 0.00 0.00 -1.39 0.00 -1.87 -3.47 103.07 106.88 1bld h GLY 4 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1bld h GLY 4 CO 1.13 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.85 1bld n GLU 5 N -2.89 0.00 -2.22 4.80 -0.58 -1.26 -5.04 120.64 113.45 1bld n GLU 5 Ca 0.04 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.39 1bld n GLU 5 Cb 0.48 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.32 1bld n GLU 5 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1bld s ILE 6 N -1.87 3.49 -0.32 -3.67 -4.36 -1.26 -4.95 121.20 108.26 1bld s ILE 6 Ca 0.00 0.22 -0.19 0.00 -0.26 0.00 0.00 60.65 60.42 1bld s ILE 6 Cb 0.00 -4.29 -0.01 0.00 1.25 0.00 0.00 42.46 39.42 1bld s ILE 6 CO 0.00 -1.24 0.54 -0.89 0.24 0.00 0.00 174.94 173.59 1bld s THR 7 N 7.96 5.00 0.00 8.37 2.01 -1.26 -4.78 115.64 132.93 1bld s THR 7 Ca 0.56 0.58 0.00 0.00 0.31 0.00 0.00 61.69 63.15 1bld s THR 7 Cb -0.11 -3.95 0.00 0.00 0.01 0.00 0.00 72.50 68.46 1bld s THR 7 CO 0.17 -0.14 0.00 1.07 -0.69 0.00 0.00 174.62 175.03 1bld n THR 8 N 5.38 0.00 -3.59 -0.82 5.66 -1.26 -5.06 114.28 114.59 1bld n THR 8 Ca -0.04 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.77 1bld n THR 8 Cb 0.49 1.04 0.00 0.00 -1.55 0.00 0.00 70.33 70.32 1bld n THR 8 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1bld n LEU 9 N 0.00 -3.30 -4.55 1.09 4.32 -1.26 -4.72 117.00 108.57 1bld n LEU 9 Ca 0.00 -0.73 -0.35 0.00 -0.02 0.00 0.00 56.01 54.91 1bld n LEU 9 Cb 0.17 -2.17 -0.03 0.00 -1.62 0.00 0.00 43.42 39.76 1bld n LEU 9 CO 0.00 -0.02 1.80 -2.16 -1.22 0.00 0.00 177.39 175.79 1bld s PRO 10 N -4.57 2.27 -0.41 3.23 0.05 -1.26 -4.76 135.00 129.55 1bld s PRO 10 Ca 0.06 0.99 0.09 0.00 0.05 0.00 0.00 61.00 62.19 1bld s PRO 10 Cb -0.02 -4.55 0.35 0.00 0.05 0.00 0.00 34.50 30.33 1bld s PRO 10 CO 0.86 -3.16 1.00 0.00 0.05 0.00 0.00 177.00 175.74 1bld n ALA 11 N 14.87 0.67 0.00 8.56 0.00 -1.26 -4.85 120.51 138.51 1bld n ALA 11 Ca 0.31 -2.22 0.00 0.00 0.00 0.00 0.00 53.44 51.54 1bld n ALA 11 Cb 0.53 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 0.20 0.00 -4.70 0.00 0.00 -1.26 -5.12 117.00 106.12 1bld n LEU 12 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.71 1bld n LEU 12 Cb 0.71 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 44.10 1bld n LEU 12 CO 0.10 0.00 1.10 -2.16 0.00 0.00 0.00 177.39 176.43 1bld s PRO 13 N 0.00 4.30 -0.19 1.96 0.05 -1.26 -4.14 135.00 135.72 1bld s PRO 13 Ca 0.00 2.01 -0.01 0.00 0.05 0.00 0.00 61.00 63.05 1bld s PRO 13 Cb 0.00 -3.46 0.00 0.00 0.05 0.00 0.00 34.50 31.09 1bld s PRO 13 CO 0.00 -0.52 0.03 0.39 0.05 0.00 0.00 177.00 176.95 1bld n GLU 14 N 4.84 -2.12 0.00 4.56 1.02 -1.26 -4.74 120.64 122.95 1bld n GLU 14 Ca 0.12 1.92 0.04 0.00 -0.02 0.00 0.00 57.16 59.23 1bld n GLU 14 Cb 0.43 -3.51 0.20 0.00 -0.02 0.00 0.00 31.44 28.54 1bld n GLU 14 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1bld n ASP 15 N 0.91 0.00 0.00 1.62 5.75 -1.26 -4.93 116.55 118.64 1bld n ASP 15 Ca 0.00 0.38 0.00 0.00 -0.01 0.00 0.00 54.79 55.16 1bld n ASP 15 Cb 0.23 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 1bld n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bld n GLY 16 N -0.56 1.52 0.00 6.12 0.00 -1.26 -4.91 105.19 106.10 1bld n GLY 16 Ca 0.03 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 4.64 2.26 -0.02 0.00 -1.26 -5.01 105.19 105.80 1bld n GLY 17 Ca 0.00 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 6.48 -2.85 1.61 2.88 -1.26 -4.79 113.62 115.69 1bld n SER 18 Ca 0.00 -2.81 -0.02 0.00 -1.33 0.00 0.00 58.87 54.72 1bld n SER 18 Cb 0.00 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.09 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 2.03 -3.04 0.00 0.46 0.00 -1.26 -4.97 105.19 98.41 1bld n GLY 19 Ca 0.52 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.99 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 0.73 0.81 -3.65 4.61 0.00 -1.26 -5.05 120.51 116.70 1bld n ALA 20 Ca 0.01 -0.31 -0.23 0.00 0.00 0.00 0.00 53.44 52.91 1bld n ALA 20 Cb 0.16 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.14 -1.84 0.00 3.72 -1.26 -4.79 117.46 111.15 1bld n PHE 21 Ca 0.00 0.73 -0.43 0.00 -0.05 0.00 0.00 57.45 57.71 1bld n PHE 21 Cb 0.45 -3.19 -0.03 0.00 -0.94 0.00 0.00 39.48 35.78 1bld n PHE 21 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1bld s PRO 22 N -5.02 3.61 -0.27 -1.08 0.05 -1.26 -4.91 135.00 126.11 1bld s PRO 22 Ca 0.15 1.96 -0.28 0.00 0.05 0.00 0.00 61.00 62.88 1bld s PRO 22 Cb -0.07 -4.19 -0.03 0.00 0.05 0.00 0.00 34.50 30.26 1bld s PRO 22 CO 0.87 -1.54 2.02 -1.25 0.05 0.00 0.00 177.00 177.15 1bld s PRO 23 N 5.27 3.22 0.09 0.56 0.05 -1.26 -4.32 135.00 138.61 1bld s PRO 23 Ca 0.85 1.74 0.00 0.00 0.05 0.00 0.00 61.00 63.64 1bld s PRO 23 Cb -0.31 -4.29 0.00 0.00 0.05 0.00 0.00 34.50 29.95 1bld s PRO 23 CO 0.34 -2.00 0.00 0.41 0.05 0.00 0.00 177.00 175.80 1bld n GLY 24 N 5.60 -1.80 1.42 0.56 0.00 -1.26 -4.93 105.19 104.78 1bld n GLY 24 Ca 0.27 0.58 -0.07 0.00 0.00 0.00 0.00 46.02 46.80 1bld n GLY 24 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bld n HIS 25 N -2.54 1.22 1.15 1.61 1.44 -1.26 -4.11 115.22 112.74 1bld n HIS 25 Ca 0.00 -0.88 0.04 0.00 -2.01 0.00 0.00 57.72 54.87 1bld n HIS 25 Cb 0.00 -0.48 0.12 0.00 0.12 0.00 0.00 29.99 29.75 1bld n HIS 25 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1bld n PHE 26 N -0.08 0.36 -0.75 -1.40 3.01 -1.26 -4.01 117.46 113.32 1bld n PHE 26 Ca 0.22 -0.18 -0.19 0.00 1.01 0.00 0.00 57.45 58.31 1bld n PHE 26 Cb 0.92 -0.00 0.09 0.00 -0.01 0.00 0.00 39.48 40.48 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 0.27 1.97 -3.78 -1.08 4.81 -1.26 -4.81 118.16 114.28 1bld n LYS 27 Ca 0.09 -2.11 -0.12 0.00 -0.87 0.00 0.00 58.31 55.30 1bld n LYS 27 Cb 0.23 -1.83 -0.08 0.00 0.02 0.00 0.00 35.03 33.37 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 -0.56 -0.12 1.24 3.14 1.11 -1.26 -5.14 116.67 115.08 1bld s ASP 28 Ca 0.41 -0.08 -0.15 0.00 0.18 0.00 0.00 52.55 52.91 1bld s ASP 28 Cb 0.33 0.31 0.30 0.00 1.07 0.00 0.00 42.92 44.93 1bld s ASP 28 CO 0.04 -0.50 0.89 -0.81 1.18 0.00 0.00 175.17 175.97 1bld n PRO 29 N 1.03 -2.93 -3.71 8.23 -0.04 -1.26 -4.59 135.00 131.72 1bld n PRO 29 Ca -0.21 -0.84 -0.14 0.00 -0.04 0.00 0.00 63.50 62.28 1bld n PRO 29 Cb 0.57 -2.07 -0.14 0.00 -0.04 0.00 0.00 33.50 31.82 1bld n PRO 29 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1bld s LYS 30 N -4.38 0.13 -0.31 0.54 1.02 -0.91 -3.19 119.74 112.65 1bld s LYS 30 Ca 0.67 0.52 -0.25 0.00 0.02 0.00 0.00 55.97 56.93 1bld s LYS 30 Cb -0.23 -0.15 0.00 0.00 -0.52 0.00 0.00 37.83 36.94 1bld s LYS 30 CO 0.64 -0.21 0.87 1.03 -0.92 0.00 0.00 175.35 176.76 1bld s ARG 31 N 1.57 4.00 -0.72 1.68 0.52 -1.07 -4.01 118.95 120.92 1bld s ARG 31 Ca -0.06 0.73 -0.24 0.00 -0.52 0.00 0.00 55.73 55.64 1bld s ARG 31 Cb -0.11 -3.73 0.06 0.00 0.52 0.00 0.00 34.95 31.69 1bld s ARG 31 CO -0.07 -0.73 1.12 -0.51 0.02 0.00 0.00 175.30 175.12 1bld s LEU 32 N 3.13 3.90 -0.21 2.53 1.43 -1.26 -1.41 118.68 126.79 1bld s LEU 32 Ca 0.36 -0.85 -0.17 0.00 -1.03 0.00 0.00 54.13 52.44 1bld s LEU 32 Cb -0.14 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 1bld s LEU 32 CO 0.13 -1.58 0.46 -0.47 0.23 0.00 0.00 176.35 175.12 1bld s TYR 33 N 4.70 3.36 -0.25 0.29 5.04 -1.22 -2.05 117.35 127.21 1bld s TYR 33 Ca 0.29 0.69 -0.20 0.00 -2.44 0.00 0.00 57.07 55.41 1bld s TYR 33 Cb -0.12 -2.61 -0.02 0.00 0.35 0.00 0.00 41.96 39.56 1bld s TYR 33 CO 0.10 -0.08 0.59 0.00 -1.34 0.00 0.00 175.55 174.82 1bld n LYS 35 N 5.60 0.19 -2.93 0.00 0.00 -1.19 -2.34 118.16 117.49 1bld n LYS 35 Ca -0.02 0.47 -0.43 0.00 0.00 0.00 0.00 58.31 58.33 1bld n LYS 35 Cb 0.49 -1.91 -0.05 0.00 0.00 0.00 0.00 35.03 33.57 1bld n LYS 35 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1bld s ASN 36 N -4.25 6.29 0.00 3.14 -0.87 -1.26 -3.78 114.94 114.21 1bld s ASN 36 Ca 0.03 -0.56 0.00 0.00 -1.57 0.00 0.00 52.86 50.76 1bld s ASN 36 Cb 0.09 -2.39 0.00 0.00 -0.02 0.00 0.00 41.25 38.92 1bld s ASN 36 CO 0.36 -1.15 0.00 0.61 -2.57 0.00 0.00 177.10 174.35 1bld n GLY 37 N 5.15 0.69 3.06 0.66 0.00 -1.26 -4.34 105.19 109.14 1bld n GLY 37 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.32 -1.47 3.04 -0.02 0.00 -1.05 -5.01 105.19 98.36 1bld n GLY 38 Ca 0.00 0.53 -0.13 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.50 -0.20 -0.25 1.61 0.08 -0.99 -4.70 117.98 112.03 1bld s PHE 39 Ca 0.10 0.49 -0.14 0.00 0.12 0.00 0.00 56.93 57.50 1bld s PHE 39 Cb -0.02 0.05 -0.04 0.00 -0.57 0.00 0.00 43.02 42.44 1bld s PHE 39 CO 0.50 -0.11 0.33 -0.06 -0.10 0.00 0.00 175.22 175.78 1bld s PHE 40 N 0.29 3.28 0.58 0.36 0.40 -1.00 -0.10 117.98 121.79 1bld s PHE 40 Ca -0.02 0.39 -0.18 0.00 -0.60 0.00 0.00 56.93 56.53 1bld s PHE 40 Cb -0.03 -2.50 -0.08 0.00 0.51 0.00 0.00 43.02 40.91 1bld s PHE 40 CO -0.01 -0.14 0.54 -0.11 0.70 0.00 0.00 175.22 176.20 1bld n LEU 41 N 5.01 0.88 -3.63 -0.37 7.94 -0.87 -2.39 117.00 123.55 1bld n LEU 41 Ca -0.10 0.73 -0.04 0.00 -1.11 0.00 0.00 56.01 55.49 1bld n LEU 41 Cb 0.51 -1.18 -0.06 0.00 0.53 0.00 0.00 43.42 43.22 1bld n LEU 41 CO 0.37 -3.02 0.15 -0.60 -1.11 0.00 0.00 177.39 173.18 1bld s ARG 42 N -2.13 0.47 -0.14 1.96 3.52 -0.80 -4.54 118.95 117.28 1bld s ARG 42 Ca 0.69 1.25 -0.17 0.00 -0.13 0.00 0.00 55.73 57.37 1bld s ARG 42 Cb -0.44 0.62 -0.04 0.00 -1.56 0.00 0.00 34.95 33.53 1bld s ARG 42 CO 0.54 -0.24 0.45 0.42 -0.81 0.00 0.00 175.30 175.66 1bld s ILE 43 N 2.77 5.20 0.28 4.11 1.01 -1.26 -2.21 121.20 131.10 1bld s ILE 43 Ca -0.03 0.88 -0.09 0.00 0.00 0.00 0.00 60.65 61.41 1bld s ILE 43 Cb -0.12 -3.79 -0.07 0.00 0.01 0.00 0.00 42.46 38.49 1bld s ILE 43 CO -0.16 0.32 0.60 -1.00 0.00 0.00 0.00 174.94 174.69 1bld s HIS 44 N 0.74 3.44 0.57 3.97 3.76 -0.41 -4.67 115.29 122.69 1bld s HIS 44 Ca 0.24 0.87 0.26 0.00 -0.15 0.00 0.00 55.06 56.29 1bld s HIS 44 Cb -0.15 -2.27 1.60 0.00 1.11 0.00 0.00 32.58 32.87 1bld s HIS 44 CO 0.09 0.17 2.13 -1.00 -0.85 0.00 0.00 174.74 175.28 1bld h PRO 45 N 2.08 0.00 -0.05 8.40 0.13 -1.89 0.65 132.00 141.32 1bld h PRO 45 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1bld h PRO 45 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1bld h PRO 45 CO 0.67 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.04 1bld n ASP 46 N -4.00 0.05 0.00 1.44 5.68 -1.26 -4.81 116.55 113.65 1bld n ASP 46 Ca 0.01 -1.48 0.00 0.00 -0.50 0.00 0.00 54.79 52.82 1bld n ASP 46 Cb 0.26 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 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 0.23 1.81 3.35 6.12 0.00 0.22 -4.92 105.19 112.00 1bld n GLY 47 Ca 0.00 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1bld n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bld n ARG 48 N 0.00 0.17 -4.20 1.61 1.74 -1.26 -2.62 116.66 112.11 1bld n ARG 48 Ca 0.00 0.08 -0.20 0.00 -0.77 0.00 0.00 57.85 56.96 1bld n ARG 48 Cb 0.00 -1.53 -0.16 0.00 -1.02 0.00 0.00 32.46 29.75 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 -1.96 0.56 0.00 1.55 1.01 -1.26 -1.28 120.40 119.02 1bld s VAL 49 Ca 0.60 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1bld s VAL 49 Cb -0.35 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.45 1bld s VAL 49 CO 0.64 0.22 0.00 -0.90 0.00 0.00 0.00 175.10 175.06 1bld n ASP 50 N 3.95 0.12 -3.74 3.32 5.75 -0.94 -4.39 116.55 120.62 1bld n ASP 50 Ca -0.25 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.40 1bld n ASP 50 Cb 0.51 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.52 1bld n ASP 50 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1bld s GLY 51 N 0.00 -0.18 -0.04 6.12 0.00 -1.02 -1.91 107.32 110.28 1bld s GLY 51 Ca 0.00 0.37 -0.07 0.00 0.00 0.00 0.00 44.72 45.02 1bld s GLY 51 CO 0.00 0.15 0.17 -1.34 0.00 0.00 0.00 173.10 172.08 1bld s VAL 52 N -1.43 0.03 -0.54 1.40 -7.23 -1.01 -4.67 120.40 106.96 1bld s VAL 52 Ca -0.13 -0.27 0.26 0.00 -1.81 0.00 0.00 61.98 60.03 1bld s VAL 52 Cb -0.04 -0.34 0.31 0.00 0.56 0.00 0.00 36.38 36.86 1bld s VAL 52 CO 0.04 -0.15 1.74 0.03 -0.31 0.00 0.00 175.10 176.45 1bld h ARG 53 N 5.19 0.00 -5.41 4.82 3.08 -1.87 -2.64 114.38 117.54 1bld h ARG 53 Ca -0.27 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.65 1bld h ARG 53 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1bld h ARG 53 CO 0.40 0.00 0.46 0.39 -1.07 0.00 0.00 179.97 180.14 1bld n GLU 54 N -2.57 0.69 -0.03 0.04 1.02 -1.26 -4.71 120.64 113.83 1bld n GLU 54 Ca 0.04 -0.62 0.01 0.00 -0.02 0.00 0.00 57.16 56.56 1bld n GLU 54 Cb 0.42 -3.64 0.02 0.00 -0.02 0.00 0.00 31.44 28.22 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 8.87 1.13 -0.24 3.49 2.85 -1.26 -3.10 118.16 129.89 1bld n LYS 55 Ca 0.44 -0.16 0.07 0.00 -1.05 0.00 0.00 58.31 57.61 1bld n LYS 55 Cb 0.46 -1.15 0.19 0.00 -0.65 0.00 0.00 35.03 33.88 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 -0.28 3.21 -4.65 -5.58 2.88 -1.26 -4.70 113.62 103.24 1bld n SER 56 Ca 0.01 -2.09 -0.38 0.00 -1.33 0.00 0.00 58.87 55.08 1bld n SER 56 Cb 0.10 -0.30 -0.08 0.00 -0.75 0.00 0.00 64.21 63.17 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 -1.07 6.36 0.00 -3.46 1.11 -1.18 -4.79 116.67 113.64 1bld s ASP 57 Ca 0.29 0.42 0.02 0.00 0.18 0.00 0.00 52.55 53.46 1bld s ASP 57 Cb 0.16 -2.22 0.10 0.00 1.07 0.00 0.00 42.92 42.04 1bld s ASP 57 CO 0.18 -0.11 0.40 -0.81 1.18 0.00 0.00 175.17 176.01 1bld n PRO 58 N 4.76 0.11 0.10 8.23 -0.04 -1.26 -2.15 135.00 144.75 1bld n PRO 58 Ca -0.09 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.16 1bld n PRO 58 Cb 0.51 -1.25 -0.15 0.00 -0.04 0.00 0.00 33.50 32.57 1bld n PRO 58 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1bld h HIS 59 N 0.00 0.73 0.00 0.54 3.86 -1.95 -3.21 115.15 115.12 1bld h HIS 59 Ca 0.00 -0.54 0.00 0.00 -1.16 0.00 0.00 60.37 58.67 1bld h HIS 59 Cb 0.00 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.44 1bld h HIS 59 CO 0.00 1.53 0.00 0.44 0.86 0.00 0.00 177.93 180.76 1bld n ILE 60 N -3.60 0.00 -2.85 2.45 -5.35 -0.91 -4.29 119.36 104.81 1bld n ILE 60 Ca -0.18 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 61.86 1bld n ILE 60 Cb 1.07 -0.62 -0.01 0.00 -1.74 0.00 0.00 39.64 38.34 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 3.88 -0.04 6.28 1.02 -1.21 -4.57 119.74 123.10 1bld s LYS 61 Ca 0.07 -2.11 -0.19 0.00 0.02 0.00 0.00 55.97 53.76 1bld s LYS 61 Cb 0.03 -5.12 -0.05 0.00 -0.52 0.00 0.00 37.83 32.17 1bld s LYS 61 CO 0.05 -1.89 0.53 -0.51 -0.92 0.00 0.00 175.35 172.62 1bld s LEU 62 N 2.64 4.38 -0.48 3.17 1.43 -1.26 -3.30 118.68 125.26 1bld s LEU 62 Ca 0.42 1.03 -0.22 0.00 -1.03 0.00 0.00 54.13 54.33 1bld s LEU 62 Cb -0.02 -2.81 0.03 0.00 0.03 0.00 0.00 46.19 43.43 1bld s LEU 62 CO -0.03 0.11 0.76 -1.58 0.23 0.00 0.00 176.35 175.84 1bld s GLN 63 N -0.09 3.31 0.20 1.70 0.74 0.17 -2.15 119.66 123.54 1bld s GLN 63 Ca 0.28 -0.35 -0.07 0.00 0.05 0.00 0.00 55.36 55.28 1bld s GLN 63 Cb -0.17 -4.00 -0.06 0.00 1.10 0.00 0.00 33.01 29.88 1bld s GLN 63 CO 0.15 -1.19 0.47 -0.51 -0.55 0.00 0.00 175.29 173.65 1bld s LEU 64 N 3.21 4.19 -0.03 3.68 1.02 -1.26 -1.60 118.68 127.89 1bld s LEU 64 Ca 0.26 0.73 -0.06 0.00 0.02 0.00 0.00 54.13 55.08 1bld s LEU 64 Cb -0.14 -3.49 0.01 0.00 0.02 0.00 0.00 46.19 42.59 1bld s LEU 64 CO 0.19 -0.04 0.14 -1.58 0.02 0.00 0.00 176.35 175.08 1bld s GLN 65 N -2.88 0.31 -0.17 1.70 0.74 -0.56 -4.85 119.66 113.95 1bld s GLN 65 Ca 0.44 -0.08 -0.19 0.00 0.05 0.00 0.00 55.36 55.58 1bld s GLN 65 Cb -0.11 0.13 -0.03 0.00 1.10 0.00 0.00 33.01 34.09 1bld s GLN 65 CO 0.24 -0.06 0.52 0.00 -0.55 0.00 0.00 175.29 175.44 1bld s ALA 66 N -0.59 3.51 -0.16 1.58 0.00 -1.26 -0.24 121.76 124.60 1bld s ALA 66 Ca -0.07 -0.29 0.16 0.00 0.00 0.00 0.00 51.96 51.76 1bld s ALA 66 Cb -0.04 -2.78 -0.24 0.00 0.00 0.00 0.00 23.12 20.06 1bld s ALA 66 CO 0.01 -0.29 0.22 0.39 0.00 0.00 0.00 175.76 176.09 1bld n GLU 67 N 4.39 0.67 -1.81 0.00 -0.58 -0.99 -4.90 120.64 117.42 1bld n GLU 67 Ca -0.05 0.07 -0.02 0.00 -0.42 0.00 0.00 57.16 56.74 1bld n GLU 67 Cb 0.51 -1.59 -0.00 0.00 -0.57 0.00 0.00 31.44 29.79 1bld n GLU 67 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1bld n GLU 68 N -2.84 0.17 -0.15 3.49 -0.58 -1.22 -4.97 120.64 114.55 1bld n GLU 68 Ca -0.29 -0.49 -0.01 0.00 -0.42 0.00 0.00 57.16 55.95 1bld n GLU 68 Cb 1.13 0.53 0.05 0.00 -0.57 0.00 0.00 31.44 32.58 1bld n GLU 68 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1bld n ARG 69 N -0.11 1.44 -0.45 3.49 0.63 -1.26 -3.56 116.66 116.85 1bld n ARG 69 Ca -0.01 -0.46 -0.01 0.00 -0.92 0.00 0.00 57.85 56.45 1bld n ARG 69 Cb 0.11 -1.46 -0.01 0.00 0.45 0.00 0.00 32.46 31.55 1bld n ARG 69 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1bld n GLY 70 N 0.15 0.33 3.23 5.14 0.00 -1.26 -5.11 105.19 107.68 1bld n GLY 70 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1bld n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bld s VAL 71 N 0.00 0.06 -0.09 1.61 1.01 -1.23 -4.55 120.40 117.21 1bld s VAL 71 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 1bld s VAL 71 Cb 0.00 -0.67 0.05 0.00 0.00 0.00 0.00 36.38 35.76 1bld s VAL 71 CO 0.00 -0.29 0.20 0.68 0.00 0.00 0.00 175.10 175.69 1bld s VAL 72 N -1.58 -0.13 -0.24 2.92 -7.23 -1.26 -2.35 120.40 110.53 1bld s VAL 72 Ca -0.12 0.21 -0.16 0.00 -1.81 0.00 0.00 61.98 60.10 1bld s VAL 72 Cb -0.04 -0.33 -0.04 0.00 0.56 0.00 0.00 36.38 36.53 1bld s VAL 72 CO 0.03 0.09 0.41 -0.44 -0.31 0.00 0.00 175.10 174.87 1bld s SER 73 N 1.54 6.36 0.09 4.85 0.01 0.67 -4.15 113.70 123.07 1bld s SER 73 Ca -0.06 0.43 -0.09 0.00 1.31 0.00 0.00 55.95 57.54 1bld s SER 73 Cb -0.11 -2.23 -0.06 0.00 0.21 0.00 0.00 66.02 63.83 1bld s SER 73 CO -0.07 -0.16 0.39 -0.63 0.41 0.00 0.00 173.24 173.18 1bld s ILE 74 N 1.80 5.11 -0.11 1.44 1.01 -1.26 -1.49 121.20 127.69 1bld s ILE 74 Ca 0.18 0.39 -0.06 0.00 0.00 0.00 0.00 60.65 61.16 1bld s ILE 74 Cb -0.15 -3.64 0.05 0.00 0.01 0.00 0.00 42.46 38.73 1bld s ILE 74 CO 0.09 0.26 0.27 -0.75 0.00 0.00 0.00 174.94 174.81 1bld s LYS 75 N -2.01 0.24 0.11 2.79 2.20 -0.63 -3.80 119.74 118.64 1bld s LYS 75 Ca 0.34 0.56 -0.30 0.00 -0.36 0.00 0.00 55.97 56.21 1bld s LYS 75 Cb -0.14 -0.09 -0.06 0.00 -1.51 0.00 0.00 37.83 36.04 1bld s LYS 75 CO 0.19 -0.15 1.02 0.20 -0.36 0.00 0.00 175.35 176.25 1bld s GLY 76 N 1.20 2.89 -0.03 5.54 0.00 -0.54 0.42 107.32 116.80 1bld s GLY 76 Ca -0.09 0.66 -0.03 0.00 0.00 0.00 0.00 44.72 45.26 1bld s GLY 76 CO -0.09 1.60 0.24 -2.08 0.00 0.00 0.00 173.10 172.77 1bld h VAL 77 N 4.11 0.00 -0.38 1.40 2.07 -1.87 0.56 116.25 122.15 1bld h VAL 77 Ca -0.43 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 1bld h VAL 77 Cb 1.21 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1bld h VAL 77 CO 0.73 0.00 0.16 0.28 0.02 0.00 0.00 177.57 178.76 1bld h SER 78 N -0.49 0.48 1.30 0.57 0.02 -1.80 -1.74 113.55 111.88 1bld h SER 78 Ca -0.01 -0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 60.77 1bld h SER 78 Cb 0.09 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1bld h SER 78 CO 0.02 0.43 -0.72 0.00 -1.14 0.00 0.00 176.83 175.42 1bld h ALA 79 N 1.65 0.64 -6.29 3.77 0.00 -1.83 -3.48 119.26 113.72 1bld h ALA 79 Ca 0.13 -0.57 -0.46 0.00 0.00 0.00 0.00 54.91 54.01 1bld h ALA 79 Cb 0.10 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1bld h ALA 79 CO -0.01 0.74 -0.87 0.09 0.00 0.00 0.00 179.25 179.20 1bld n ASN 80 N -3.17 -1.08 -3.79 0.00 5.03 0.20 -4.87 115.26 107.57 1bld n ASN 80 Ca -0.00 -0.92 -0.13 0.00 0.87 0.00 0.00 54.58 54.40 1bld n ASN 80 Cb 0.77 -3.53 -0.09 0.00 -1.02 0.00 0.00 39.78 35.91 1bld n ASN 80 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1bld s ARG 81 N -6.24 0.57 -0.02 3.52 0.52 -1.19 -4.61 118.95 111.50 1bld s ARG 81 Ca 0.04 -0.16 -0.19 0.00 -0.52 0.00 0.00 55.73 54.90 1bld s ARG 81 Cb -0.01 0.25 -0.05 0.00 0.52 0.00 0.00 34.95 35.66 1bld s ARG 81 CO 0.85 -0.15 0.55 0.71 0.02 0.00 0.00 175.30 177.29 1bld s TYR 82 N -1.13 3.66 0.54 -0.53 1.51 0.17 -1.46 117.35 120.11 1bld s TYR 82 Ca -0.12 1.12 -0.21 0.00 -1.01 0.00 0.00 57.07 56.85 1bld s TYR 82 Cb -0.05 -2.55 -0.05 0.00 -0.11 0.00 0.00 41.96 39.19 1bld s TYR 82 CO 0.03 0.36 1.24 -1.17 -1.11 0.00 0.00 175.55 174.91 1bld s LEU 83 N -0.19 3.83 0.23 -1.29 2.96 -1.25 -2.04 118.68 120.93 1bld s LEU 83 Ca 0.29 2.49 -0.07 0.00 -0.22 0.00 0.00 54.13 56.61 1bld s LEU 83 Cb -0.18 -4.39 -0.02 0.00 0.50 0.00 0.00 46.19 42.11 1bld s LEU 83 CO 0.16 -1.39 0.33 0.00 -1.32 0.00 0.00 176.35 174.13 1bld s ALA 84 N -1.48 0.40 -0.03 5.97 0.00 0.47 -4.25 121.76 122.83 1bld s ALA 84 Ca 0.71 -1.25 -0.00 0.00 0.00 0.00 0.00 51.96 51.42 1bld s ALA 84 Cb -0.33 1.21 0.03 0.00 0.00 0.00 0.00 23.12 24.03 1bld s ALA 84 CO 0.38 -0.74 0.02 1.41 0.00 0.00 0.00 175.76 176.83 1bld s MET 85 N -4.05 0.09 1.10 0.00 1.75 -1.25 -2.50 119.30 114.44 1bld s MET 85 Ca 0.30 0.16 -0.18 0.00 -1.25 0.00 0.00 55.69 54.72 1bld s MET 85 Cb 0.03 -0.37 0.25 0.00 2.84 0.00 0.00 34.83 37.58 1bld s MET 85 CO 0.11 -0.17 1.23 0.15 -0.65 0.00 0.00 175.02 175.68 1bld s LYS 86 N 1.15 -0.41 0.00 4.11 -0.14 -0.98 -4.93 119.74 118.54 1bld s LYS 86 Ca -0.08 -0.30 0.28 0.00 -1.36 0.00 0.00 55.97 54.51 1bld s LYS 86 Cb -0.13 -1.71 1.05 0.00 -1.68 0.00 0.00 37.83 35.36 1bld s LYS 86 CO -0.03 -3.13 1.77 0.39 -0.76 0.00 0.00 175.35 173.60 1bld n GLU 87 N -4.30 0.28 -0.08 1.68 1.02 -1.26 -3.89 120.64 114.08 1bld n GLU 87 Ca 0.15 -0.09 -0.23 0.00 -0.02 0.00 0.00 57.16 56.97 1bld n GLU 87 Cb 0.59 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.40 1bld n GLU 87 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1bld n ASP 88 N -1.28 1.96 0.00 1.62 5.68 -1.26 -5.00 116.55 118.28 1bld n ASP 88 Ca 0.10 0.30 0.00 0.00 -0.50 0.00 0.00 54.79 54.68 1bld n ASP 88 Cb 0.31 -0.86 0.00 0.00 -1.14 0.00 0.00 41.12 39.43 1bld n ASP 88 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bld n GLY 89 N 1.63 0.26 3.70 6.12 0.00 -1.25 -4.47 105.19 111.18 1bld n GLY 89 Ca -0.37 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 4.35 0.02 1.61 0.52 -1.26 -2.77 118.95 121.41 1bld s ARG 90 Ca 0.00 1.90 -0.17 0.00 -0.52 0.00 0.00 55.73 56.94 1bld s ARG 90 Cb 0.00 -3.42 -0.06 0.00 0.52 0.00 0.00 34.95 31.99 1bld s ARG 90 CO 0.00 -0.43 0.47 -0.51 0.02 0.00 0.00 175.30 174.86 1bld s LEU 91 N 1.64 4.48 0.00 2.53 1.02 -1.26 -2.33 118.68 124.76 1bld s LEU 91 Ca 0.61 1.06 -0.02 0.00 0.02 0.00 0.00 54.13 55.81 1bld s LEU 91 Cb -0.31 -2.71 0.01 0.00 0.02 0.00 0.00 46.19 43.20 1bld s LEU 91 CO 0.28 0.28 0.33 0.00 0.02 0.00 0.00 176.35 177.26 1bld n LEU 92 N 1.94 0.00 -4.01 1.79 -0.00 -1.04 -4.38 117.00 111.30 1bld n LEU 92 Ca -0.12 -1.77 -0.08 0.00 -0.00 0.00 0.00 56.01 54.04 1bld n LEU 92 Cb 0.52 1.70 -0.09 0.00 -0.00 0.00 0.00 43.42 45.55 1bld n LEU 92 CO 0.39 -0.43 -0.26 0.00 -0.00 0.00 0.00 177.39 177.09 1bld s ALA 93 N -2.25 0.24 0.23 1.47 0.00 -1.08 -0.40 121.76 119.98 1bld s ALA 93 Ca 0.17 -1.00 -0.08 0.00 0.00 0.00 0.00 51.96 51.06 1bld s ALA 93 Cb -0.01 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 1bld s ALA 93 CO 0.12 -0.42 0.34 -1.54 0.00 0.00 0.00 175.76 174.26 1bld s SER 94 N -2.90 0.01 0.04 0.00 1.04 -0.87 -4.69 113.70 106.33 1bld s SER 94 Ca 0.06 -1.11 -0.08 0.00 0.48 0.00 0.00 55.95 55.30 1bld s SER 94 Cb 0.07 0.51 -0.31 0.00 0.10 0.00 0.00 66.02 66.39 1bld s SER 94 CO -0.10 -1.02 1.03 0.11 0.98 0.00 0.00 173.24 174.23 1bld h LYS 95 N 2.40 0.36 -5.63 4.02 1.57 -1.89 0.48 116.57 117.88 1bld h LYS 95 Ca -0.30 -0.61 -0.59 0.00 -1.87 0.00 0.00 60.65 57.28 1bld h LYS 95 Cb 1.25 0.23 -0.09 0.00 0.08 0.00 0.00 32.23 33.69 1bld h LYS 95 CO 0.42 1.28 -0.05 -1.54 -0.57 0.00 0.00 179.45 178.99 1bld s SER 96 N -7.27 6.63 -0.23 0.86 1.04 -1.26 -4.58 113.70 108.90 1bld s SER 96 Ca -0.07 0.76 -0.29 0.00 0.48 0.00 0.00 55.95 56.83 1bld s SER 96 Cb 0.06 -2.30 -0.02 0.00 0.10 0.00 0.00 66.02 63.86 1bld s SER 96 CO 0.90 -0.13 1.43 0.54 0.98 0.00 0.00 173.24 176.95 1bld s VAL 97 N 1.31 3.98 0.01 5.02 0.11 -1.26 -4.83 120.40 124.74 1bld s VAL 97 Ca 0.26 1.12 0.00 0.00 -2.93 0.00 0.00 61.98 60.43 1bld s VAL 97 Cb -0.15 -3.92 0.00 0.00 -1.53 0.00 0.00 36.38 30.78 1bld s VAL 97 CO 0.10 -0.32 0.02 0.35 -3.33 0.00 0.00 175.10 171.92 1bld n THR 98 N 6.06 0.00 0.93 5.04 -2.24 -1.26 -4.97 114.28 117.84 1bld n THR 98 Ca 0.16 -0.03 0.14 0.00 -2.27 0.00 0.00 64.05 62.05 1bld n THR 98 Cb 0.45 -1.31 0.58 0.00 -2.10 0.00 0.00 70.33 67.95 1bld n THR 98 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1bld n ASP 99 N -3.00 0.14 -1.08 3.42 8.00 -1.26 -2.96 116.55 119.82 1bld n ASP 99 Ca 0.00 0.51 0.07 0.00 0.71 0.00 0.00 54.79 56.09 1bld n ASP 99 Cb 0.01 -0.55 0.24 0.00 -0.02 0.00 0.00 41.12 40.80 1bld n ASP 99 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1bld n GLU 100 N -1.64 2.58 -0.27 -1.24 4.71 -1.26 -3.94 120.64 119.59 1bld n GLU 100 Ca 0.07 -1.94 0.10 0.00 -0.01 0.00 0.00 57.16 55.38 1bld n GLU 100 Cb 0.35 -1.56 0.26 0.00 -1.01 0.00 0.00 31.44 29.48 1bld n GLU 100 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1bld s PHE 102 N -1.30 3.52 -0.21 0.00 0.08 -1.25 -4.43 117.98 114.38 1bld s PHE 102 Ca 0.38 0.44 -0.04 0.00 0.12 0.00 0.00 56.93 57.84 1bld s PHE 102 Cb 0.20 -1.91 0.11 0.00 -0.57 0.00 0.00 43.02 40.86 1bld s PHE 102 CO 0.27 0.54 0.35 -0.06 -0.10 0.00 0.00 175.22 176.22 1bld s PHE 103 N -1.51 -0.70 0.68 0.36 0.40 -1.26 -3.72 117.98 112.23 1bld s PHE 103 Ca 0.35 0.92 -0.17 0.00 -0.60 0.00 0.00 56.93 57.43 1bld s PHE 103 Cb -0.13 0.02 -0.02 0.00 0.51 0.00 0.00 43.02 43.41 1bld s PHE 103 CO 0.24 -0.61 0.91 1.19 0.70 0.00 0.00 175.22 177.65 1bld n PHE 104 N 5.36 0.52 -3.86 0.36 3.72 0.11 -4.26 117.46 119.42 1bld n PHE 104 Ca -0.05 0.40 -0.30 0.00 -0.05 0.00 0.00 57.45 57.45 1bld n PHE 104 Cb 0.50 -2.08 -0.14 0.00 -0.94 0.00 0.00 39.48 36.82 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 -3.06 1.40 -0.15 -1.08 2.12 -1.26 -1.03 118.70 115.65 1bld s GLU 105 Ca 0.74 -1.94 -0.17 0.00 0.36 0.00 0.00 54.97 53.95 1bld s GLU 105 Cb -0.37 -2.75 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 1bld s GLU 105 CO 0.50 -1.05 0.45 0.50 -0.54 0.00 0.00 175.26 175.11 1bld s ARG 106 N 0.59 4.28 -0.03 4.30 3.52 -0.64 -4.82 118.95 126.16 1bld s ARG 106 Ca 0.14 0.37 -0.15 0.00 -0.13 0.00 0.00 55.73 55.96 1bld s ARG 106 Cb -0.22 -3.47 -0.05 0.00 -1.56 0.00 0.00 34.95 29.65 1bld s ARG 106 CO -0.07 0.09 0.41 -1.17 -0.81 0.00 0.00 175.30 173.75 1bld s LEU 107 N 0.86 4.43 0.00 -0.88 2.96 -1.26 -1.11 118.68 123.69 1bld s LEU 107 Ca 0.24 0.91 0.00 0.00 -0.22 0.00 0.00 54.13 55.06 1bld s LEU 107 Cb -0.15 -2.59 0.12 0.00 0.50 0.00 0.00 46.19 44.08 1bld s LEU 107 CO 0.09 0.27 0.85 -0.62 -1.32 0.00 0.00 176.35 175.62 1bld n GLU 108 N 2.18 0.01 -1.53 1.98 4.71 -0.51 -4.98 120.64 122.51 1bld n GLU 108 Ca -0.13 -2.35 -0.30 0.00 -0.01 0.00 0.00 57.16 54.37 1bld n GLU 108 Cb 0.52 -0.56 -0.00 0.00 -1.01 0.00 0.00 31.44 30.39 1bld n GLU 108 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1bld n SER 109 N -2.90 6.91 -0.69 1.62 7.64 -1.26 -4.02 113.62 120.91 1bld n SER 109 Ca 0.14 -3.44 -0.02 0.00 1.01 0.00 0.00 58.87 56.57 1bld n SER 109 Cb 0.51 -1.14 -0.02 0.00 -1.01 0.00 0.00 64.21 62.55 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 0.21 -0.20 -2.81 6.43 3.02 -1.26 -5.01 115.26 115.65 1bld n ASN 110 Ca 0.49 -1.45 -0.13 0.00 -0.03 0.00 0.00 54.58 53.46 1bld n ASN 110 Cb 0.47 0.03 0.07 0.00 -0.61 0.00 0.00 39.78 39.74 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 0.03 -2.10 -3.76 6.41 5.03 -1.26 -5.03 115.26 114.58 1bld n ASN 111 Ca -0.07 -0.46 -0.15 0.00 0.87 0.00 0.00 54.58 54.77 1bld n ASN 111 Cb 0.62 -3.94 -0.16 0.00 -1.02 0.00 0.00 39.78 35.28 1bld n ASN 111 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1bld s TYR 112 N -3.27 -0.00 0.24 3.10 2.02 -1.26 -4.87 117.35 113.31 1bld s TYR 112 Ca 0.01 0.20 -0.03 0.00 -0.37 0.00 0.00 57.07 56.88 1bld s TYR 112 Cb -0.00 -0.22 -0.05 0.00 -0.40 0.00 0.00 41.96 41.29 1bld s TYR 112 CO 0.54 -0.11 0.47 -0.80 -1.57 0.00 0.00 175.55 174.09 1bld s ASN 113 N 1.11 6.42 -0.11 2.29 0.02 -0.95 -1.42 114.94 122.30 1bld s ASN 113 Ca -0.09 0.55 -0.01 0.00 -1.02 0.00 0.00 52.86 52.30 1bld s ASN 113 Cb -0.13 -2.07 0.03 0.00 0.02 0.00 0.00 41.25 39.10 1bld s ASN 113 CO -0.04 -0.12 -0.05 0.42 0.02 0.00 0.00 177.10 177.34 1bld s THR 114 N -1.97 0.83 -0.47 1.60 -4.23 -0.26 -1.92 115.64 109.21 1bld s THR 114 Ca 0.41 -0.20 -0.20 0.00 -1.18 0.00 0.00 61.69 60.52 1bld s THR 114 Cb -0.11 -0.92 0.04 0.00 1.34 0.00 0.00 72.50 72.86 1bld s THR 114 CO 0.29 0.30 0.62 -0.31 -0.54 0.00 0.00 174.62 174.99 1bld s TYR 115 N 1.78 3.06 0.03 3.99 2.02 -1.26 -1.62 117.35 125.35 1bld s TYR 115 Ca 0.04 -0.32 -0.00 0.00 -0.37 0.00 0.00 57.07 56.42 1bld s TYR 115 Cb -0.13 -3.41 -0.04 0.00 -0.40 0.00 0.00 41.96 37.99 1bld s TYR 115 CO -0.07 -0.95 0.16 0.50 -1.57 0.00 0.00 175.55 173.62 1bld s ARG 116 N 2.70 3.29 0.67 -0.62 3.52 -0.19 -2.51 118.95 125.80 1bld s ARG 116 Ca 0.18 -0.45 -0.13 0.00 -0.13 0.00 0.00 55.73 55.20 1bld s ARG 116 Cb -0.17 -2.98 0.00 0.00 -1.56 0.00 0.00 34.95 30.24 1bld s ARG 116 CO 0.15 0.63 1.08 0.45 -0.81 0.00 0.00 175.30 176.80 1bld s SER 117 N -2.20 5.29 0.00 -2.12 0.15 -1.07 -0.71 113.70 113.04 1bld s SER 117 Ca 0.30 1.81 0.00 0.00 0.70 0.00 0.00 55.95 58.76 1bld s SER 117 Cb -0.13 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1bld s SER 117 CO 0.22 -1.51 0.00 -1.14 1.20 0.00 0.00 173.24 172.01 1bld n ARG 118 N -2.68 0.00 0.00 5.44 0.63 -1.24 -3.01 116.66 115.80 1bld n ARG 118 Ca 0.09 0.05 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 1bld n ARG 118 Cb 0.53 -0.33 0.00 0.00 0.45 0.00 0.00 32.46 33.12 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 -3.12 -0.14 4.81 -1.26 -1.94 118.16 114.91 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 -1.72 -0.03 0.00 0.02 0.00 0.00 35.03 33.30 1bld n LYS 119 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1bld n TYR 120 N -1.29 -0.47 0.33 5.64 4.01 -1.26 -4.92 117.16 119.21 1bld n TYR 120 Ca -0.00 -3.47 0.02 0.00 -0.16 0.00 0.00 57.90 54.29 1bld n TYR 120 Cb 0.22 -0.10 0.10 0.00 -0.31 0.00 0.00 39.34 39.24 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 0.73 0.00 0.70 -0.72 -2.24 -0.82 -1.88 114.28 110.05 1bld n THR 121 Ca 0.21 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.05 1bld n THR 121 Cb 0.62 -0.72 0.17 0.00 -2.10 0.00 0.00 70.33 68.30 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 -0.81 2.21 -3.68 3.42 7.64 -1.26 -4.85 113.62 116.29 1bld n SER 122 Ca 0.02 -2.08 -0.14 0.00 1.01 0.00 0.00 58.87 57.68 1bld n SER 122 Cb 0.01 -0.30 -0.08 0.00 -1.01 0.00 0.00 64.21 62.82 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 -1.57 -0.47 0.38 1.43 0.51 -0.79 -4.99 118.94 113.44 1bld s TRP 123 Ca 0.25 0.98 0.08 0.00 -2.12 0.00 0.00 56.10 55.29 1bld s TRP 123 Cb 0.14 0.21 -0.05 0.00 -0.81 0.00 0.00 33.47 32.97 1bld s TRP 123 CO 0.15 -0.39 0.13 0.71 -0.51 0.00 0.00 176.95 177.05 1bld s TYR 124 N -0.56 2.62 -0.14 -1.98 1.51 -1.26 -2.59 117.35 114.95 1bld s TYR 124 Ca -0.07 -0.50 -0.17 0.00 -1.01 0.00 0.00 57.07 55.33 1bld s TYR 124 Cb -0.03 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 40.01 1bld s TYR 124 CO 0.04 0.29 0.41 0.08 -1.11 0.00 0.00 175.55 175.26 1bld s VAL 125 N -2.54 5.23 -0.04 0.71 1.01 -1.04 -4.80 120.40 118.92 1bld s VAL 125 Ca 0.39 0.80 -0.22 0.00 0.00 0.00 0.00 61.98 62.95 1bld s VAL 125 Cb 0.01 -3.75 0.04 0.00 0.00 0.00 0.00 36.38 32.69 1bld s VAL 125 CO 0.22 0.33 0.48 0.00 0.00 0.00 0.00 175.10 176.13 1bld s ALA 126 N 0.68 -1.24 0.52 5.51 0.00 -1.26 -4.64 121.76 121.33 1bld s ALA 126 Ca 0.22 0.82 0.07 0.00 0.00 0.00 0.00 51.96 53.07 1bld s ALA 126 Cb -0.14 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.00 1bld s ALA 126 CO 0.08 -0.31 0.48 -0.51 0.00 0.00 0.00 175.76 175.50 1bld s LEU 127 N -1.17 2.94 0.00 0.00 1.43 -1.26 -2.20 118.68 118.43 1bld s LEU 127 Ca -0.12 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 51.94 1bld s LEU 127 Cb -0.03 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.71 1bld s LEU 127 CO 0.06 -1.05 0.00 0.29 0.23 0.00 0.00 176.35 175.89 1bld n LYS 128 N -1.81 1.32 0.04 1.70 4.76 0.23 -4.54 118.16 119.86 1bld n LYS 128 Ca 0.03 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.59 1bld n LYS 128 Cb 0.63 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.80 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 -0.69 0.46 -0.06 1.97 1.85 -1.26 -3.87 116.66 115.06 1bld n ARG 129 Ca 0.00 0.00 0.12 0.00 -1.00 0.00 0.00 57.85 56.97 1bld n ARG 129 Cb 0.00 -1.65 0.30 0.00 -1.05 0.00 0.00 32.46 30.05 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 -2.24 0.15 -0.29 8.89 5.66 -1.26 -4.90 114.28 120.29 1bld n THR 130 Ca 0.00 -0.45 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 1bld n THR 130 Cb 0.50 0.89 0.00 0.00 -1.55 0.00 0.00 70.33 70.16 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 1.29 0.85 3.85 1.09 0.00 -1.25 -4.98 105.19 106.04 1bld n GLY 131 Ca 0.17 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.68 3.85 -0.07 1.61 -1.52 -1.26 -2.44 119.66 119.14 1bld s GLN 132 Ca 0.00 0.31 -0.30 0.00 -1.95 0.00 0.00 55.36 53.42 1bld s GLN 132 Cb 0.00 -3.10 -0.05 0.00 -0.22 0.00 0.00 33.01 29.64 1bld s GLN 132 CO 0.00 0.62 1.54 1.52 -0.25 0.00 0.00 175.29 178.72 1bld s TYR 133 N -1.25 2.27 0.12 0.91 1.13 -1.26 0.76 117.35 120.03 1bld s TYR 133 Ca 0.29 0.44 -0.31 0.00 -1.41 0.00 0.00 57.07 56.08 1bld s TYR 133 Cb -0.15 -3.80 -0.08 0.00 -1.10 0.00 0.00 41.96 36.83 1bld s TYR 133 CO 0.16 -3.24 1.36 0.21 -2.51 0.00 0.00 175.55 171.53 1bld s LYS 134 N 3.71 4.34 0.51 -3.49 2.20 -0.93 -4.81 119.74 121.26 1bld s LYS 134 Ca 0.68 2.04 -0.20 0.00 -0.36 0.00 0.00 55.97 58.14 1bld s LYS 134 Cb -0.31 -3.25 -0.11 0.00 -1.51 0.00 0.00 37.83 32.66 1bld s LYS 134 CO 0.26 -0.40 0.49 -0.11 -0.36 0.00 0.00 175.35 175.23 1bld n LEU 135 N 3.80 0.18 0.14 5.43 7.94 -1.26 -4.73 117.00 128.49 1bld n LEU 135 Ca 0.11 0.80 0.03 0.00 -1.11 0.00 0.00 56.01 55.83 1bld n LEU 135 Cb 0.43 -1.13 0.40 0.00 0.53 0.00 0.00 43.42 43.65 1bld n LEU 135 CO 0.58 -3.10 0.88 1.23 -1.11 0.00 0.00 177.39 175.88 1bld h GLY 136 N 0.45 0.21 2.00 -3.96 0.00 -1.79 -1.29 103.07 98.69 1bld h GLY 136 Ca -0.43 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1bld h GLY 136 CO 0.48 0.12 0.00 1.48 0.00 0.00 0.00 176.54 178.62 1bld h SER 137 N 0.18 0.00 0.26 0.19 4.64 -1.87 -2.90 113.55 114.05 1bld h SER 137 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1bld h SER 137 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1bld h SER 137 CO 0.02 0.00 -0.23 0.29 -0.87 0.00 0.00 176.83 176.04 1bld n LYS 138 N -2.39 0.82 -2.83 4.77 5.02 -0.50 -4.88 118.16 118.17 1bld n LYS 138 Ca 0.04 -0.45 -0.29 0.00 -2.02 0.00 0.00 58.31 55.59 1bld n LYS 138 Cb 0.39 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.89 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 -2.50 4.86 0.00 -0.18 -4.23 -1.10 -4.95 115.64 107.55 1bld s THR 139 Ca 0.25 0.40 0.00 0.00 -1.18 0.00 0.00 61.69 61.16 1bld s THR 139 Cb 0.19 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 70.25 1bld s THR 139 CO 0.51 -0.62 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 1bld n GLY 140 N -1.61 -0.99 3.54 3.99 0.00 -1.26 -4.78 105.19 104.09 1bld n GLY 140 Ca 0.01 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.00 -0.37 0.00 1.61 0.04 -1.26 -2.92 135.00 130.11 1bld s PRO 141 Ca 0.00 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1bld s PRO 141 Cb 0.00 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.94 1bld s PRO 141 CO 0.00 -3.41 0.00 0.41 0.04 0.00 0.00 177.00 174.04 1bld n GLY 142 N 0.62 1.88 3.58 0.56 0.00 -1.26 -4.92 105.19 105.66 1bld n GLY 142 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 3.35 0.00 1.61 -0.21 -1.15 -4.82 119.66 118.44 1bld s GLN 143 Ca 0.00 0.64 0.10 0.00 0.02 0.00 0.00 55.36 56.12 1bld s GLN 143 Cb 0.00 -4.11 0.55 0.00 1.00 0.00 0.00 33.01 30.45 1bld s GLN 143 CO 0.00 -1.87 1.13 1.63 -2.12 0.00 0.00 175.29 174.06 1bld n LYS 144 N 8.51 0.22 0.00 2.91 5.02 -1.26 -2.68 118.16 130.89 1bld n LYS 144 Ca 0.14 0.10 0.01 0.00 -2.02 0.00 0.00 58.31 56.55 1bld n LYS 144 Cb 0.49 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 34.05 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 -1.15 1.28 1.27 7.82 0.00 -1.26 -0.34 120.51 128.13 1bld n ALA 145 Ca 0.06 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.62 1bld n ALA 145 Cb 0.06 -1.04 0.33 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.31 0.00 -2.83 0.00 -5.35 -1.09 -4.48 119.36 104.29 1bld n ILE 146 Ca 0.01 -0.29 -0.43 0.00 -0.27 0.00 0.00 62.75 61.77 1bld n ILE 146 Cb 0.02 0.82 -0.03 0.00 -1.74 0.00 0.00 39.64 38.71 1bld n ILE 146 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1bld s LEU 147 N -2.15 4.65 0.48 7.28 1.43 0.54 -4.16 118.68 126.75 1bld s LEU 147 Ca 0.31 -1.86 0.03 0.00 -1.03 0.00 0.00 54.13 51.57 1bld s LEU 147 Cb 0.20 -2.44 0.02 0.00 0.03 0.00 0.00 46.19 43.99 1bld s LEU 147 CO 0.39 -1.19 0.69 -0.36 0.23 0.00 0.00 176.35 176.11 1bld s PHE 148 N 3.30 2.98 -0.42 0.29 0.40 -0.81 -3.20 117.98 120.52 1bld s PHE 148 Ca 0.36 -0.02 0.06 0.00 -0.60 0.00 0.00 56.93 56.73 1bld s PHE 148 Cb -0.04 -2.50 0.22 0.00 0.51 0.00 0.00 43.02 41.21 1bld s PHE 148 CO -0.09 -0.58 0.53 -0.11 0.70 0.00 0.00 175.22 175.68 1bld n LEU 149 N -2.13 -0.77 -4.63 -0.37 7.94 -0.63 -2.24 117.00 114.17 1bld n LEU 149 Ca 0.05 -4.25 -0.43 0.00 -1.11 0.00 0.00 56.01 50.28 1bld n LEU 149 Cb 0.59 0.65 -0.03 0.00 0.53 0.00 0.00 43.42 45.16 1bld n LEU 149 CO 0.45 1.99 1.69 -2.84 -1.11 0.00 0.00 177.39 177.57 1bld s PRO 150 N -0.37 3.66 -0.47 1.96 0.02 -1.26 -3.46 135.00 135.08 1bld s PRO 150 Ca 0.34 2.27 -0.18 0.00 0.02 0.00 0.00 61.00 63.45 1bld s PRO 150 Cb 0.12 -4.25 0.05 0.00 0.02 0.00 0.00 34.50 30.45 1bld s PRO 150 CO -0.15 -1.50 0.51 -1.64 -0.33 0.00 0.00 177.00 173.89 1bld s MET 151 N 5.33 3.08 0.53 5.54 -1.94 -0.50 -4.88 119.30 126.46 1bld s MET 151 Ca 0.92 -0.94 -0.22 0.00 -1.71 0.00 0.00 55.69 53.75 1bld s MET 151 Cb -0.37 -4.06 -0.05 0.00 2.01 0.00 0.00 34.83 32.36 1bld s MET 151 CO 0.38 -1.05 1.28 0.45 -0.01 0.00 0.00 175.02 176.06 1bld s SER 152 N 2.36 5.50 -1.07 3.03 0.15 -1.26 -2.61 113.70 119.80 1bld s SER 152 Ca 0.12 2.57 -0.07 0.00 0.70 0.00 0.00 55.95 59.27 1bld s SER 152 Cb -0.20 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.47 1bld s SER 152 CO 0.11 -1.40 2.86 0.00 1.20 0.00 0.00 173.24 176.02 1bld n ALA 153 N -0.98 6.96 -1.00 5.45 0.00 -1.19 -4.77 120.51 124.97 1bld n ALA 153 Ca 0.10 -3.35 0.00 0.00 0.00 0.00 0.00 53.44 50.19 1bld n ALA 153 Cb 0.47 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 17.11 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 2.37 0.00 0.00 0.00 5.02 -1.26 -4.97 118.16 119.32 1bld n LYS 154 Ca 0.63 0.05 0.16 0.00 -2.02 0.00 0.00 58.31 57.13 1bld n LYS 154 Cb 0.40 -0.70 0.94 0.00 -0.02 0.00 0.00 35.03 35.66 1bld n LYS 154 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31