#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 2.10 -1.52 -5.12 0.00 -1.26 -4.71 120.51 109.99 1bld n ALA 2 Ca 0.00 -0.09 -0.23 0.00 0.00 0.00 0.00 53.44 53.12 1bld n ALA 2 Cb 0.00 -1.24 -0.15 0.00 0.00 0.00 0.00 19.45 18.07 1bld n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bld n GLU 3 N -0.94 0.28 -3.87 0.00 -0.58 -1.26 -4.54 120.64 109.73 1bld n GLU 3 Ca 0.11 -0.28 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 1bld n GLU 3 Cb 0.05 -2.19 0.00 0.00 -0.57 0.00 0.00 31.44 28.73 1bld n GLU 3 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bld n GLY 4 N 6.11 -0.90 0.00 0.62 0.00 -1.26 -5.10 105.19 104.66 1bld n GLY 4 Ca 0.58 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1bld n GLY 4 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bld n GLU 5 N 0.00 0.00 -3.82 1.61 1.02 -1.26 -4.76 120.64 113.43 1bld n GLU 5 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1bld n GLU 5 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.30 1bld n GLU 5 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1bld s ILE 6 N 0.37 0.02 0.55 -3.67 1.01 -1.26 -5.09 121.20 113.12 1bld s ILE 6 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.49 1bld s ILE 6 Cb 0.00 -0.32 0.00 0.00 0.01 0.00 0.00 42.46 42.15 1bld s ILE 6 CO 0.00 -0.09 0.00 0.35 0.00 0.00 0.00 174.94 175.20 1bld n THR 7 N 2.60 -4.55 -1.62 2.92 -2.24 -1.26 -4.65 114.28 105.48 1bld n THR 7 Ca -0.15 2.10 -0.53 0.00 -2.27 0.00 0.00 64.05 63.20 1bld n THR 7 Cb 0.58 -3.03 -0.06 0.00 -2.10 0.00 0.00 70.33 65.72 1bld n THR 7 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1bld n THR 8 N -1.44 0.08 -0.01 4.28 -2.24 -1.25 -4.87 114.28 108.82 1bld n THR 8 Ca 0.00 -0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.65 1bld n THR 8 Cb 0.15 -0.91 -0.14 0.00 -2.10 0.00 0.00 70.33 67.33 1bld n THR 8 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1bld n LEU 9 N 3.21 1.26 -4.55 3.22 4.77 -1.26 -4.76 117.00 118.88 1bld n LEU 9 Ca 0.20 0.38 -0.36 0.00 -0.03 0.00 0.00 56.01 56.20 1bld n LEU 9 Cb 0.17 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1bld n LEU 9 CO 0.67 0.49 1.60 -2.16 -1.33 0.00 0.00 177.39 176.65 1bld s PRO 10 N -2.59 2.56 -0.16 3.23 0.05 -1.26 -4.86 135.00 131.97 1bld s PRO 10 Ca -0.08 0.54 -0.34 0.00 0.05 0.00 0.00 61.00 61.17 1bld s PRO 10 Cb 0.08 -4.50 0.13 0.00 0.05 0.00 0.00 34.50 30.26 1bld s PRO 10 CO 0.81 -2.88 1.21 0.00 0.05 0.00 0.00 177.00 176.19 1bld s ALA 11 N 9.52 -2.08 -0.42 8.56 0.00 -1.26 -5.09 121.76 130.98 1bld s ALA 11 Ca 0.70 1.44 0.08 0.00 0.00 0.00 0.00 51.96 54.19 1bld s ALA 11 Cb -0.12 -0.02 0.27 0.00 0.00 0.00 0.00 23.12 23.24 1bld s ALA 11 CO 0.18 -0.67 0.59 1.47 0.00 0.00 0.00 175.76 177.33 1bld n LEU 12 N -0.16 0.76 -4.66 0.00 -0.00 -1.26 -5.10 117.00 106.59 1bld n LEU 12 Ca -0.01 -4.85 -0.31 0.00 -0.00 0.00 0.00 56.01 50.85 1bld n LEU 12 Cb 0.59 0.48 0.17 0.00 -0.00 0.00 0.00 43.42 44.66 1bld n LEU 12 CO 0.09 2.11 0.66 -2.16 -0.00 0.00 0.00 177.39 178.09 1bld s PRO 13 N -1.58 0.88 -0.68 1.47 0.05 -1.26 -4.03 135.00 129.85 1bld s PRO 13 Ca 0.37 1.35 -0.10 0.00 0.05 0.00 0.00 61.00 62.67 1bld s PRO 13 Cb 0.20 -1.73 0.01 0.00 0.05 0.00 0.00 34.50 33.04 1bld s PRO 13 CO -0.10 -2.66 0.64 0.39 0.05 0.00 0.00 177.00 175.33 1bld n GLU 14 N -4.24 -1.67 0.13 4.56 -0.58 -1.26 -4.73 120.64 112.85 1bld n GLU 14 Ca 0.10 1.28 0.08 0.00 -0.42 0.00 0.00 57.16 58.19 1bld n GLU 14 Cb 0.53 -3.66 0.43 0.00 -0.57 0.00 0.00 31.44 28.17 1bld n GLU 14 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1bld n ASP 15 N -1.61 0.41 0.00 1.62 8.00 -1.26 -4.79 116.55 118.93 1bld n ASP 15 Ca -0.13 0.67 0.00 0.00 0.71 0.00 0.00 54.79 56.04 1bld n ASP 15 Cb 0.61 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 1bld n ASP 15 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bld n GLY 16 N -1.33 -1.77 2.50 0.44 0.00 -1.26 -5.02 105.19 98.75 1bld n GLY 16 Ca -0.01 0.62 -0.12 0.00 0.00 0.00 0.00 46.02 46.50 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 0.06 3.09 -0.02 0.00 -1.26 -4.08 105.19 102.98 1bld n GLY 17 Ca 0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 1bld n GLY 17 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bld n SER 18 N -0.70 -6.91 0.00 1.61 3.41 -1.26 -4.99 113.62 104.79 1bld n SER 18 Ca -0.04 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 1bld n SER 18 Cb 0.56 -3.01 0.00 0.00 -0.26 0.00 0.00 64.21 61.50 1bld n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bld n GLY 19 N 0.68 1.57 0.00 5.00 0.00 -1.26 -5.09 105.19 106.09 1bld n GLY 19 Ca -0.00 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1bld n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bld n ALA 20 N 0.00 0.99 -0.07 4.61 0.00 -1.26 -4.91 120.51 119.87 1bld n ALA 20 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1bld n ALA 20 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1bld n ALA 20 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1bld h PHE 21 N 0.00 0.14 -3.74 0.00 0.04 -2.02 -3.48 116.94 107.88 1bld h PHE 21 Ca 0.00 -0.10 -0.46 0.00 2.80 0.00 0.00 57.97 60.21 1bld h PHE 21 Cb 0.00 -0.01 0.18 0.00 2.20 0.00 0.00 35.95 38.32 1bld h PHE 21 CO 0.00 1.58 0.15 -1.25 -0.60 0.00 0.00 178.31 178.19 1bld s PRO 22 N -2.42 0.18 0.28 1.51 0.05 -1.26 -4.92 135.00 128.42 1bld s PRO 22 Ca -0.27 0.73 -0.30 0.00 0.05 0.00 0.00 61.00 61.20 1bld s PRO 22 Cb 0.06 -1.69 -0.12 0.00 0.05 0.00 0.00 34.50 32.80 1bld s PRO 22 CO 0.64 -2.95 1.52 -2.30 0.05 0.00 0.00 177.00 173.95 1bld n PRO 23 N -4.36 2.44 0.00 0.56 -0.01 -1.26 -4.63 135.00 127.73 1bld n PRO 23 Ca 0.05 0.87 0.00 0.00 -0.01 0.00 0.00 63.50 64.41 1bld n PRO 23 Cb 0.56 -2.60 0.00 0.00 -0.01 0.00 0.00 33.50 31.45 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 2.11 0.00 0.00 -1.23 0.00 -1.26 -4.97 105.19 99.84 1bld n GLY 24 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1bld n GLY 24 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bld n HIS 25 N 0.00 0.00 -0.73 1.61 8.25 -1.26 -4.86 115.22 118.23 1bld n HIS 25 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 1bld n HIS 25 Cb 0.00 0.05 0.15 0.00 1.12 0.00 0.00 29.99 31.30 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 0.00 2.38 -0.01 4.41 3.01 -1.26 -4.17 117.46 121.82 1bld n PHE 26 Ca 0.00 -1.52 -0.03 0.00 1.01 0.00 0.00 57.45 56.91 1bld n PHE 26 Cb 0.47 -0.78 -0.12 0.00 -0.01 0.00 0.00 39.48 39.04 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 -0.74 0.64 -4.29 -1.08 3.00 -1.26 -4.84 118.16 109.59 1bld n LYS 27 Ca 0.46 0.15 -0.28 0.00 -0.00 0.00 0.00 58.31 58.64 1bld n LYS 27 Cb 1.41 -1.72 -0.10 0.00 0.00 0.00 0.00 35.03 34.62 1bld n LYS 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1bld s ASP 28 N -5.68 4.16 1.17 3.14 1.11 -1.26 -5.11 116.67 114.20 1bld s ASP 28 Ca -0.05 -0.55 -0.16 0.00 0.18 0.00 0.00 52.55 51.96 1bld s ASP 28 Cb 0.08 -0.68 0.21 0.00 1.07 0.00 0.00 42.92 43.60 1bld s ASP 28 CO 0.83 0.13 0.47 -2.65 1.18 0.00 0.00 175.17 175.13 1bld n PRO 29 N 0.34 -2.25 -3.77 8.23 -0.01 -1.26 -4.73 135.00 131.54 1bld n PRO 29 Ca -0.12 -0.64 -0.13 0.00 -0.01 0.00 0.00 63.50 62.59 1bld n PRO 29 Cb 0.54 -1.89 -0.14 0.00 -0.01 0.00 0.00 33.50 31.99 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 -3.91 0.08 -0.19 -0.52 1.02 -1.15 -2.68 119.74 112.39 1bld s LYS 30 Ca 0.61 0.29 -0.25 0.00 0.02 0.00 0.00 55.97 56.64 1bld s LYS 30 Cb -0.18 -0.13 -0.01 0.00 -0.52 0.00 0.00 37.83 36.99 1bld s LYS 30 CO 0.65 -0.13 0.82 1.03 -0.92 0.00 0.00 175.35 176.80 1bld s ARG 31 N 0.89 4.26 -0.72 1.68 0.52 -0.93 -4.16 118.95 120.48 1bld s ARG 31 Ca -0.07 0.97 -0.24 0.00 -0.52 0.00 0.00 55.73 55.87 1bld s ARG 31 Cb -0.09 -3.60 0.06 0.00 0.52 0.00 0.00 34.95 31.84 1bld s ARG 31 CO -0.04 -0.38 1.12 -0.51 0.02 0.00 0.00 175.30 175.51 1bld s LEU 32 N 2.35 3.90 -0.32 2.53 1.43 -1.26 -1.79 118.68 125.52 1bld s LEU 32 Ca 0.37 -0.86 -0.14 0.00 -1.03 0.00 0.00 54.13 52.46 1bld s LEU 32 Cb -0.16 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 1bld s LEU 32 CO 0.11 -1.58 0.31 -0.47 0.23 0.00 0.00 176.35 174.95 1bld s TYR 33 N 4.68 3.22 0.15 0.29 5.04 -1.24 -1.91 117.35 127.58 1bld s TYR 33 Ca 0.29 0.06 -0.28 0.00 -2.44 0.00 0.00 57.07 54.70 1bld s TYR 33 Cb -0.12 -2.57 -0.07 0.00 0.35 0.00 0.00 41.96 39.55 1bld s TYR 33 CO 0.10 -0.33 0.86 0.00 -1.34 0.00 0.00 175.55 174.84 1bld h LYS 35 N 4.82 0.00 -6.33 0.00 3.64 -1.85 -2.57 116.57 114.28 1bld h LYS 35 Ca -0.45 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.39 1bld h LYS 35 Cb 1.21 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.97 1bld h LYS 35 CO 0.69 0.62 1.15 -0.80 -2.27 0.00 0.00 179.45 178.84 1bld s ASN 36 N -6.48 5.98 0.00 4.20 -0.87 -1.26 -2.76 114.94 113.75 1bld s ASN 36 Ca 0.03 0.42 0.00 0.00 -1.57 0.00 0.00 52.86 51.74 1bld s ASN 36 Cb 0.08 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.77 1bld s ASN 36 CO 0.77 -1.80 0.00 0.61 -2.57 0.00 0.00 177.10 174.11 1bld n GLY 37 N 5.34 0.66 3.17 0.66 0.00 -1.26 -4.31 105.19 109.44 1bld n GLY 37 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.41 -0.84 2.94 -0.02 0.00 -1.11 -5.00 105.19 98.74 1bld n GLY 38 Ca 0.00 0.85 -0.13 0.00 0.00 0.00 0.00 46.02 46.74 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 -1.67 -0.09 0.09 1.61 0.08 -0.97 -4.82 117.98 112.20 1bld s PHE 39 Ca 0.22 0.26 -0.09 0.00 0.12 0.00 0.00 56.93 57.44 1bld s PHE 39 Cb -0.03 -0.01 -0.06 0.00 -0.57 0.00 0.00 43.02 42.35 1bld s PHE 39 CO 0.65 -0.07 0.39 -0.06 -0.10 0.00 0.00 175.22 176.04 1bld s PHE 40 N 0.32 3.56 0.34 0.36 0.40 -0.94 -0.08 117.98 121.92 1bld s PHE 40 Ca -0.02 0.74 -0.25 0.00 -0.60 0.00 0.00 56.93 56.80 1bld s PHE 40 Cb -0.03 -2.13 -0.10 0.00 0.51 0.00 0.00 43.02 41.27 1bld s PHE 40 CO -0.01 0.50 0.94 -1.17 0.70 0.00 0.00 175.22 176.18 1bld s LEU 41 N -2.04 4.28 -0.14 -0.37 2.96 -0.80 -1.13 118.68 121.43 1bld s LEU 41 Ca 0.34 1.79 -0.06 0.00 -0.22 0.00 0.00 54.13 55.99 1bld s LEU 41 Cb -0.14 -4.08 0.07 0.00 0.50 0.00 0.00 46.19 42.54 1bld s LEU 41 CO 0.19 -0.11 0.31 -0.60 -1.32 0.00 0.00 176.35 174.82 1bld s ARG 42 N -2.23 0.21 -0.46 1.98 3.52 -0.60 -4.65 118.95 116.72 1bld s ARG 42 Ca 0.52 0.79 -0.22 0.00 -0.13 0.00 0.00 55.73 56.68 1bld s ARG 42 Cb -0.17 0.04 0.03 0.00 -1.56 0.00 0.00 34.95 33.29 1bld s ARG 42 CO 0.22 -0.25 0.73 0.42 -0.81 0.00 0.00 175.30 175.61 1bld s ILE 43 N 2.21 4.71 0.64 4.11 1.01 -1.26 -2.42 121.20 130.20 1bld s ILE 43 Ca -0.02 0.20 -0.17 0.00 0.00 0.00 0.00 60.65 60.66 1bld s ILE 43 Cb -0.11 -4.30 -0.01 0.00 0.01 0.00 0.00 42.46 38.04 1bld s ILE 43 CO -0.10 -0.73 1.17 -1.00 0.00 0.00 0.00 174.94 174.29 1bld s HIS 44 N 3.12 2.39 0.54 3.97 3.76 -0.83 -4.66 115.29 123.58 1bld s HIS 44 Ca 0.26 1.55 0.23 0.00 -0.15 0.00 0.00 55.06 56.95 1bld s HIS 44 Cb -0.14 -3.38 1.43 0.00 1.11 0.00 0.00 32.58 31.60 1bld s HIS 44 CO 0.20 -2.12 2.07 -1.35 -0.85 0.00 0.00 174.74 172.69 1bld h PRO 45 N 0.41 0.00 0.00 8.40 0.10 -1.92 0.26 132.00 139.26 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 0.54 0.00 0.00 -0.40 0.10 0.00 0.00 178.00 178.24 1bld n ASP 46 N -4.28 0.00 0.00 -2.05 5.68 -1.26 -4.81 116.55 109.82 1bld n ASP 46 Ca 0.04 -1.23 0.00 0.00 -0.50 0.00 0.00 54.79 53.10 1bld n ASP 46 Cb 0.38 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 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 0.32 2.42 3.70 6.12 0.00 0.91 -4.86 105.19 113.81 1bld n GLY 47 Ca 0.06 -0.05 -0.58 0.00 0.00 0.00 0.00 46.02 45.46 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 1.10 -3.29 1.61 1.74 -1.26 -2.25 116.66 114.32 1bld n ARG 48 Ca 0.00 0.40 -0.38 0.00 -0.77 0.00 0.00 57.85 57.10 1bld n ARG 48 Cb 0.00 -2.08 -0.06 0.00 -1.02 0.00 0.00 32.46 29.31 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 3.26 5.17 0.00 1.55 1.01 -1.26 -1.97 120.40 128.16 1bld s VAL 49 Ca 0.97 1.00 0.00 0.00 0.00 0.00 0.00 61.98 63.95 1bld s VAL 49 Cb -1.08 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 31.46 1bld s VAL 49 CO 0.65 0.31 0.00 -0.90 0.00 0.00 0.00 175.10 175.16 1bld n ASP 50 N 3.73 0.00 -3.79 3.32 5.75 -1.02 -4.27 116.55 120.28 1bld n ASP 50 Ca -0.06 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.59 1bld n ASP 50 Cb 0.52 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 -0.09 0.01 6.12 0.00 0.14 -1.56 107.32 111.94 1bld s GLY 51 Ca 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 44.72 44.75 1bld s GLY 51 CO 0.00 -0.08 0.17 -1.34 0.00 0.00 0.00 173.10 171.85 1bld s VAL 52 N -1.75 0.09 0.15 1.40 -7.23 -0.28 -4.35 120.40 108.43 1bld s VAL 52 Ca -0.11 -0.75 0.05 0.00 -1.81 0.00 0.00 61.98 59.36 1bld s VAL 52 Cb -0.04 -0.63 -0.17 0.00 0.56 0.00 0.00 36.38 36.10 1bld s VAL 52 CO 0.01 -0.41 1.34 0.03 -0.31 0.00 0.00 175.10 175.76 1bld h ARG 53 N 3.94 0.09 -5.27 4.82 3.08 -1.88 -2.50 114.38 116.66 1bld h ARG 53 Ca -0.31 -0.12 -0.37 0.00 0.07 0.00 0.00 59.98 59.25 1bld h ARG 53 Cb 1.19 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.23 1bld h ARG 53 CO 0.43 0.95 1.45 0.39 -1.07 0.00 0.00 179.97 182.12 1bld n GLU 54 N -3.53 0.46 0.00 0.04 -0.58 -1.26 -4.69 120.64 111.08 1bld n GLU 54 Ca -0.02 -0.16 0.13 0.00 -0.42 0.00 0.00 57.16 56.69 1bld n GLU 54 Cb 0.86 -2.50 0.74 0.00 -0.57 0.00 0.00 31.44 29.98 1bld n GLU 54 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1bld n LYS 55 N 8.25 0.71 0.09 3.49 2.85 -1.26 -2.66 118.16 129.63 1bld n LYS 55 Ca 0.53 0.01 0.11 0.00 -1.05 0.00 0.00 58.31 57.91 1bld n LYS 55 Cb 0.30 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.15 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 -1.06 0.74 -4.37 -5.58 3.41 -1.26 -4.61 113.62 100.88 1bld n SER 56 Ca 0.18 0.29 -0.53 0.00 -0.26 0.00 0.00 58.87 58.55 1bld n SER 56 Cb 0.11 0.64 -0.10 0.00 -0.26 0.00 0.00 64.21 64.60 1bld n SER 56 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1bld n ASP 57 N -2.63 1.19 0.00 4.04 8.00 -1.09 -4.69 116.55 121.37 1bld n ASP 57 Ca -0.01 0.46 0.01 0.00 0.71 0.00 0.00 54.79 55.96 1bld n ASP 57 Cb 0.56 -1.05 0.08 0.00 -0.02 0.00 0.00 41.12 40.69 1bld n ASP 57 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1bld n PRO 58 N 7.96 0.18 0.05 -0.24 -0.05 -1.26 -1.43 135.00 140.21 1bld n PRO 58 Ca 0.52 0.00 0.11 0.00 -0.05 0.00 0.00 63.50 64.08 1bld n PRO 58 Cb 0.09 -1.22 -0.02 0.00 -0.05 0.00 0.00 33.50 32.29 1bld n PRO 58 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 1bld n HIS 59 N -0.72 0.53 0.97 0.54 8.25 -1.26 -3.84 115.22 119.68 1bld n HIS 59 Ca 0.02 0.15 0.09 0.00 -0.26 0.00 0.00 57.72 57.72 1bld n HIS 59 Cb 0.01 -0.69 0.49 0.00 1.12 0.00 0.00 29.99 30.92 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 -2.35 0.29 -2.31 1.59 -5.35 -0.52 -4.46 119.36 106.25 1bld n ILE 60 Ca -0.00 0.07 -0.35 0.00 -0.27 0.00 0.00 62.75 62.20 1bld n ILE 60 Cb 0.52 -0.78 -0.04 0.00 -1.74 0.00 0.00 39.64 37.60 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 -2.35 3.16 -0.02 6.28 1.02 -1.25 -4.63 119.74 121.94 1bld s LYS 61 Ca 0.21 -1.18 -0.19 0.00 0.02 0.00 0.00 55.97 54.83 1bld s LYS 61 Cb 0.12 -5.31 -0.05 0.00 -0.52 0.00 0.00 37.83 32.07 1bld s LYS 61 CO 0.25 -2.99 0.54 -0.51 -0.92 0.00 0.00 175.35 171.72 1bld s LEU 62 N 7.63 4.40 -0.53 3.17 1.43 -1.26 -3.19 118.68 130.32 1bld s LEU 62 Ca 0.60 1.06 -0.21 0.00 -1.03 0.00 0.00 54.13 54.55 1bld s LEU 62 Cb -0.01 -2.82 0.06 0.00 0.03 0.00 0.00 46.19 43.45 1bld s LEU 62 CO 0.03 0.12 0.74 -1.58 0.23 0.00 0.00 176.35 175.90 1bld s GLN 63 N -0.20 3.18 0.25 1.70 0.74 0.22 -2.92 119.66 122.62 1bld s GLN 63 Ca 0.29 -0.73 -0.06 0.00 0.05 0.00 0.00 55.36 54.90 1bld s GLN 63 Cb -0.17 -4.10 -0.06 0.00 1.10 0.00 0.00 33.01 29.78 1bld s GLN 63 CO 0.15 -1.35 0.53 -0.51 -0.55 0.00 0.00 175.29 173.56 1bld s LEU 64 N 3.09 4.12 0.00 3.68 1.02 -1.26 -1.15 118.68 128.18 1bld s LEU 64 Ca 0.20 0.75 -0.05 0.00 0.02 0.00 0.00 54.13 55.05 1bld s LEU 64 Cb -0.17 -3.54 -0.00 0.00 0.02 0.00 0.00 46.19 42.49 1bld s LEU 64 CO 0.14 -0.12 0.08 -1.58 0.02 0.00 0.00 176.35 174.88 1bld s GLN 65 N -3.21 0.40 0.23 1.70 0.74 0.10 -4.88 119.66 114.73 1bld s GLN 65 Ca 0.44 -0.42 -0.11 0.00 0.05 0.00 0.00 55.36 55.33 1bld s GLN 65 Cb -0.11 0.16 -0.07 0.00 1.10 0.00 0.00 33.01 34.09 1bld s GLN 65 CO 0.27 -0.09 0.56 0.00 -0.55 0.00 0.00 175.29 175.48 1bld s ALA 66 N -1.29 3.55 -0.09 1.58 0.00 -1.26 0.54 121.76 124.78 1bld s ALA 66 Ca -0.14 -0.23 -0.12 0.00 0.00 0.00 0.00 51.96 51.47 1bld s ALA 66 Cb -0.08 -2.47 0.03 0.00 0.00 0.00 0.00 23.12 20.60 1bld s ALA 66 CO 0.01 0.49 0.31 -1.21 0.00 0.00 0.00 175.76 175.36 1bld s GLU 67 N -2.73 0.46 5.07 0.00 0.41 -0.99 -4.76 118.70 116.17 1bld s GLU 67 Ca 0.47 0.25 0.00 0.00 -0.41 0.00 0.00 54.97 55.28 1bld s GLU 67 Cb -0.12 0.22 0.00 0.00 -1.78 0.00 0.00 34.13 32.45 1bld s GLU 67 CO 0.21 -0.09 0.00 0.39 -0.49 0.00 0.00 175.26 175.28 1bld n GLU 68 N 2.41 0.00 -3.51 1.61 1.02 -1.26 -3.44 120.64 117.47 1bld n GLU 68 Ca -0.16 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.84 1bld n GLU 68 Cb 0.57 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.88 1bld n GLU 68 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1bld s ARG 69 N 0.00 0.22 0.00 3.49 3.52 -1.26 -4.83 118.95 120.09 1bld s ARG 69 Ca 0.00 0.47 0.00 0.00 -0.13 0.00 0.00 55.73 56.07 1bld s ARG 69 Cb 0.00 -0.63 0.00 0.00 -1.56 0.00 0.00 34.95 32.76 1bld s ARG 69 CO 0.00 -0.53 0.00 0.41 -0.81 0.00 0.00 175.30 174.37 1bld n GLY 70 N 5.34 2.97 3.92 8.12 0.00 -1.26 -5.03 105.19 119.26 1bld n GLY 70 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.29 5.05 -0.10 1.61 1.01 -1.22 -3.04 120.40 121.41 1bld s VAL 71 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 1bld s VAL 71 Cb 0.00 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.62 1bld s VAL 71 CO 0.00 -0.50 0.24 0.68 0.00 0.00 0.00 175.10 175.52 1bld s VAL 72 N -2.28 -0.04 -0.29 2.92 -7.23 -1.25 -2.34 120.40 109.90 1bld s VAL 72 Ca 0.43 0.13 -0.18 0.00 -1.81 0.00 0.00 61.98 60.55 1bld s VAL 72 Cb -0.10 -0.37 -0.02 0.00 0.56 0.00 0.00 36.38 36.45 1bld s VAL 72 CO 0.35 0.05 0.53 -0.44 -0.31 0.00 0.00 175.10 175.28 1bld s SER 73 N 1.13 6.41 0.12 4.85 0.01 0.19 -3.84 113.70 122.56 1bld s SER 73 Ca -0.08 0.36 -0.14 0.00 1.31 0.00 0.00 55.95 57.40 1bld s SER 73 Cb -0.09 -2.28 -0.07 0.00 0.21 0.00 0.00 66.02 63.79 1bld s SER 73 CO -0.07 -0.37 0.51 -0.63 0.41 0.00 0.00 173.24 173.09 1bld s ILE 74 N 2.38 4.91 -0.04 1.44 1.01 -1.26 -0.72 121.20 128.92 1bld s ILE 74 Ca 0.21 0.77 -0.08 0.00 0.00 0.00 0.00 60.65 61.55 1bld s ILE 74 Cb -0.15 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.61 1bld s ILE 74 CO 0.11 0.29 0.18 -0.75 0.00 0.00 0.00 174.94 174.77 1bld s LYS 75 N -1.85 0.37 -0.04 2.79 2.20 -0.30 -3.98 119.74 118.93 1bld s LYS 75 Ca 0.35 -0.03 -0.15 0.00 -0.36 0.00 0.00 55.97 55.78 1bld s LYS 75 Cb -0.15 0.16 -0.05 0.00 -1.51 0.00 0.00 37.83 36.28 1bld s LYS 75 CO 0.19 -0.08 0.40 0.20 -0.36 0.00 0.00 175.35 175.70 1bld s GLY 76 N -0.61 2.44 -0.02 5.54 0.00 -0.15 0.71 107.32 115.23 1bld s GLY 76 Ca -0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 44.72 44.41 1bld s GLY 76 CO 0.01 0.26 0.00 -2.08 0.00 0.00 0.00 173.10 171.29 1bld h VAL 77 N 3.96 0.00 -0.07 1.40 2.07 -1.86 -2.42 116.25 119.32 1bld h VAL 77 Ca -0.49 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1bld h VAL 77 Cb 1.21 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1bld h VAL 77 CO 0.65 0.00 -0.00 -1.28 0.02 0.00 0.00 177.57 176.95 1bld h SER 78 N -0.20 0.12 0.15 0.57 0.87 -1.85 -2.59 113.55 110.62 1bld h SER 78 Ca -0.00 -0.33 -0.01 0.00 -1.23 0.00 0.00 61.79 60.22 1bld h SER 78 Cb 0.00 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1bld h SER 78 CO 0.00 0.42 -0.04 0.00 -0.53 0.00 0.00 176.83 176.68 1bld h ALA 79 N 0.70 1.37 -6.33 6.23 0.00 -1.83 -3.46 119.26 115.95 1bld h ALA 79 Ca 0.02 -0.04 -0.47 0.00 0.00 0.00 0.00 54.91 54.42 1bld h ALA 79 Cb 0.36 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1bld h ALA 79 CO 0.00 0.05 -0.83 0.09 0.00 0.00 0.00 179.25 178.57 1bld n ASN 80 N -3.67 -2.06 -3.86 0.00 4.13 -0.91 -4.93 115.26 103.95 1bld n ASN 80 Ca -0.02 -0.88 -0.11 0.00 1.68 0.00 0.00 54.58 55.24 1bld n ASN 80 Cb 0.14 -3.59 -0.10 0.00 -1.54 0.00 0.00 39.78 34.69 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 -6.41 0.48 -0.03 3.52 0.52 -1.24 -4.69 118.95 111.11 1bld s ARG 81 Ca 0.25 -0.35 -0.15 0.00 -0.52 0.00 0.00 55.73 54.96 1bld s ARG 81 Cb -0.13 0.20 -0.05 0.00 0.52 0.00 0.00 34.95 35.49 1bld s ARG 81 CO 0.85 -0.11 0.42 0.71 0.02 0.00 0.00 175.30 177.18 1bld s TYR 82 N -1.30 3.67 0.44 -0.53 1.51 0.18 -0.98 117.35 120.35 1bld s TYR 82 Ca -0.14 0.95 -0.25 0.00 -1.01 0.00 0.00 57.07 56.63 1bld s TYR 82 Cb -0.07 -2.34 -0.08 0.00 -0.11 0.00 0.00 41.96 39.36 1bld s TYR 82 CO 0.02 0.53 1.30 -1.17 -1.11 0.00 0.00 175.55 175.12 1bld s LEU 83 N -0.66 4.12 -0.14 -1.29 2.96 -1.26 -1.66 118.68 120.75 1bld s LEU 83 Ca 0.24 2.64 -0.11 0.00 -0.22 0.00 0.00 54.13 56.68 1bld s LEU 83 Cb -0.16 -4.02 0.04 0.00 0.50 0.00 0.00 46.19 42.55 1bld s LEU 83 CO 0.12 -1.00 0.36 0.00 -1.32 0.00 0.00 176.35 174.51 1bld s ALA 84 N -1.31 -0.90 0.16 5.97 0.00 0.03 -4.40 121.76 121.31 1bld s ALA 84 Ca 0.61 1.15 -0.05 0.00 0.00 0.00 0.00 51.96 53.67 1bld s ALA 84 Cb -0.37 -0.69 -0.06 0.00 0.00 0.00 0.00 23.12 22.00 1bld s ALA 84 CO 0.47 -0.20 0.39 1.41 0.00 0.00 0.00 175.76 177.83 1bld s MET 85 N 0.63 3.62 0.00 0.00 1.75 -1.12 -1.92 119.30 122.27 1bld s MET 85 Ca -0.04 -0.08 0.00 0.00 -1.25 0.00 0.00 55.69 54.32 1bld s MET 85 Cb -0.05 -2.83 0.00 0.00 2.84 0.00 0.00 34.83 34.79 1bld s MET 85 CO -0.04 0.44 0.00 1.63 -0.65 0.00 0.00 175.02 176.41 1bld n LYS 86 N -0.02 0.63 -0.05 4.11 4.76 -0.91 -4.95 118.16 121.74 1bld n LYS 86 Ca -0.02 -0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.30 1bld n LYS 86 Cb 0.52 -0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.56 1bld n LYS 86 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1bld n GLU 87 N -1.00 0.67 0.13 1.97 4.71 -1.26 -4.28 120.64 121.57 1bld n GLU 87 Ca 0.00 0.20 -0.21 0.00 -0.01 0.00 0.00 57.16 57.15 1bld n GLU 87 Cb 0.00 -1.69 -0.15 0.00 -1.01 0.00 0.00 31.44 28.59 1bld n GLU 87 CO 0.00 0.00 0.00 0.38 0.09 0.00 0.00 177.13 177.60 1bld h ASP 88 N 0.01 0.66 0.00 1.62 3.04 -2.03 -3.47 116.42 116.25 1bld h ASP 88 Ca -0.39 -0.70 0.00 0.00 -3.24 0.00 0.00 57.03 52.70 1bld h ASP 88 Cb 2.07 -0.21 0.00 0.00 -1.04 0.00 0.00 39.33 40.15 1bld h ASP 88 CO 0.06 1.54 0.00 0.61 -2.04 0.00 0.00 179.24 179.41 1bld n GLY 89 N 1.62 -0.22 3.65 7.15 0.00 -1.26 -4.53 105.19 111.60 1bld n GLY 89 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 4.07 -0.07 1.61 0.52 -1.26 -2.92 118.95 120.89 1bld s ARG 90 Ca 0.00 1.63 -0.18 0.00 -0.52 0.00 0.00 55.73 56.66 1bld s ARG 90 Cb 0.00 -3.87 -0.05 0.00 0.52 0.00 0.00 34.95 31.55 1bld s ARG 90 CO 0.00 -0.93 0.48 -0.51 0.02 0.00 0.00 175.30 174.35 1bld s LEU 91 N 4.09 4.35 0.28 2.53 1.02 -1.26 -2.14 118.68 127.55 1bld s LEU 91 Ca 0.61 0.90 -0.09 0.00 0.02 0.00 0.00 54.13 55.57 1bld s LEU 91 Cb -0.23 -2.70 -0.00 0.00 0.02 0.00 0.00 46.19 43.28 1bld s LEU 91 CO 0.21 0.10 0.46 -1.48 0.02 0.00 0.00 176.35 175.66 1bld s LEU 92 N 0.09 0.59 0.34 1.79 0.05 -0.81 -4.02 118.68 116.71 1bld s LEU 92 Ca 0.26 -1.15 0.09 0.00 0.05 0.00 0.00 54.13 53.38 1bld s LEU 92 Cb -0.16 1.60 -0.05 0.00 -2.05 0.00 0.00 46.19 45.53 1bld s LEU 92 CO 0.12 -1.19 0.05 0.00 -0.55 0.00 0.00 176.35 174.78 1bld s ALA 93 N -3.66 3.28 0.24 1.48 0.00 -0.95 -0.79 121.76 121.35 1bld s ALA 93 Ca 0.26 -1.92 -0.11 0.00 0.00 0.00 0.00 51.96 50.19 1bld s ALA 93 Cb -0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 1bld s ALA 93 CO 0.13 0.06 0.42 -1.12 0.00 0.00 0.00 175.76 175.25 1bld s SER 94 N -3.75 -0.05 0.01 0.00 0.01 -0.66 -4.75 113.70 104.50 1bld s SER 94 Ca 0.35 -0.99 -0.03 0.00 1.31 0.00 0.00 55.95 56.59 1bld s SER 94 Cb -0.01 0.55 -0.28 0.00 0.21 0.00 0.00 66.02 66.50 1bld s SER 94 CO 0.20 -1.09 0.87 0.11 0.41 0.00 0.00 173.24 173.75 1bld h LYS 95 N 2.32 0.26 -5.92 12.44 1.79 -1.87 0.53 116.57 126.11 1bld h LYS 95 Ca -0.28 -0.44 -0.61 0.00 -2.18 0.00 0.00 60.65 57.14 1bld h LYS 95 Cb 1.25 0.16 -0.06 0.00 -1.58 0.00 0.00 32.23 32.00 1bld h LYS 95 CO 0.38 1.13 -0.24 0.45 -1.08 0.00 0.00 179.45 180.09 1bld s SER 96 N -7.00 6.73 -0.30 0.86 0.15 -1.26 -4.60 113.70 108.28 1bld s SER 96 Ca -0.09 0.87 -0.20 0.00 0.70 0.00 0.00 55.95 57.23 1bld s SER 96 Cb 0.07 -2.23 -0.01 0.00 -1.71 0.00 0.00 66.02 62.14 1bld s SER 96 CO 0.86 0.30 0.63 0.54 1.20 0.00 0.00 173.24 176.76 1bld s VAL 97 N -0.86 4.94 0.48 4.45 0.11 -1.26 -4.79 120.40 123.47 1bld s VAL 97 Ca 0.22 0.87 0.08 0.00 -2.93 0.00 0.00 61.98 60.23 1bld s VAL 97 Cb -0.16 -4.00 0.03 0.00 -1.53 0.00 0.00 36.38 30.72 1bld s VAL 97 CO 0.12 -0.13 0.56 0.42 -3.33 0.00 0.00 175.10 172.74 1bld s THR 98 N 2.60 2.48 -0.06 5.04 -4.23 -1.26 -4.96 115.64 115.26 1bld s THR 98 Ca 0.25 -1.15 0.25 0.00 -1.18 0.00 0.00 61.69 59.86 1bld s THR 98 Cb -0.15 -2.64 0.25 0.00 1.34 0.00 0.00 72.50 71.31 1bld s THR 98 CO 0.12 0.00 1.77 0.44 -0.54 0.00 0.00 174.62 176.41 1bld h ASP 99 N 0.62 0.00 -1.40 3.99 5.19 -2.01 -2.70 116.42 120.11 1bld h ASP 99 Ca -0.37 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.43 1bld h ASP 99 Cb 1.28 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.59 1bld h ASP 99 CO 0.49 0.00 0.78 -0.62 -3.12 0.00 0.00 179.24 176.76 1bld n GLU 100 N -2.39 2.82 0.00 3.56 1.02 -1.26 -4.01 120.64 120.38 1bld n GLU 100 Ca -0.02 -2.89 0.00 0.00 -0.02 0.00 0.00 57.16 54.24 1bld n GLU 100 Cb 0.04 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.23 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 3.48 -0.20 0.00 0.08 -1.26 -4.36 117.98 115.72 1bld s PHE 102 Ca 0.00 0.41 -0.04 0.00 0.12 0.00 0.00 56.93 57.42 1bld s PHE 102 Cb 0.00 -2.00 0.10 0.00 -0.57 0.00 0.00 43.02 40.55 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 -2.41 -0.68 -0.06 0.36 0.40 -1.25 -3.91 117.98 110.43 1bld s PHE 103 Ca 0.42 0.99 -0.30 0.00 -0.60 0.00 0.00 56.93 57.45 1bld s PHE 103 Cb -0.10 0.05 -0.06 0.00 0.51 0.00 0.00 43.02 43.42 1bld s PHE 103 CO 0.38 -0.57 1.75 -0.06 0.70 0.00 0.00 175.22 177.42 1bld s PHE 104 N 2.52 1.79 -0.66 0.36 0.08 -0.54 -3.93 117.98 117.60 1bld s PHE 104 Ca 0.06 0.10 -0.19 0.00 0.12 0.00 0.00 56.93 57.02 1bld s PHE 104 Cb -0.14 -4.00 0.11 0.00 -0.57 0.00 0.00 43.02 38.42 1bld s PHE 104 CO -0.13 -4.14 0.80 -2.00 -0.10 0.00 0.00 175.22 169.65 1bld s GLU 105 N 4.34 3.16 -0.62 0.44 2.12 -1.17 -1.32 118.70 125.64 1bld s GLU 105 Ca 0.78 -1.37 -0.21 0.00 0.36 0.00 0.00 54.97 54.53 1bld s GLU 105 Cb -0.34 -4.35 0.08 0.00 0.26 0.00 0.00 34.13 29.78 1bld s GLU 105 CO 0.32 -1.60 0.84 0.50 -0.54 0.00 0.00 175.26 174.79 1bld s ARG 106 N 2.74 3.09 0.01 4.30 3.52 -0.82 -4.91 118.95 126.89 1bld s ARG 106 Ca 0.16 -1.03 -0.30 0.00 -0.13 0.00 0.00 55.73 54.43 1bld s ARG 106 Cb -0.20 -4.24 -0.04 0.00 -1.56 0.00 0.00 34.95 28.92 1bld s ARG 106 CO 0.04 -1.67 1.07 -1.17 -0.81 0.00 0.00 175.30 172.76 1bld s LEU 107 N 3.42 4.36 0.00 -0.88 0.20 -1.26 -2.73 118.68 121.78 1bld s LEU 107 Ca 0.17 1.79 0.00 0.00 0.69 0.00 0.00 54.13 56.79 1bld s LEU 107 Cb -0.20 -3.57 0.02 0.00 -0.43 0.00 0.00 46.19 42.01 1bld s LEU 107 CO 0.09 -0.37 0.13 -0.62 -0.29 0.00 0.00 176.35 175.29 1bld n GLU 108 N 4.05 0.59 -0.06 1.98 4.71 -1.19 -4.98 120.64 125.73 1bld n GLU 108 Ca 0.08 -0.39 0.12 0.00 -0.01 0.00 0.00 57.16 56.96 1bld n GLU 108 Cb 0.49 -0.08 0.38 0.00 -1.01 0.00 0.00 31.44 31.22 1bld n GLU 108 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1bld n SER 109 N -2.97 1.87 -1.72 1.62 2.88 -1.26 -3.92 113.62 110.12 1bld n SER 109 Ca 0.02 -1.70 -0.06 0.00 -1.33 0.00 0.00 58.87 55.81 1bld n SER 109 Cb 0.08 -0.08 0.22 0.00 -0.75 0.00 0.00 64.21 63.68 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 0.45 4.07 0.00 -3.46 3.02 -1.26 -4.85 115.26 113.23 1bld n ASN 110 Ca 0.17 -2.93 0.00 0.00 -0.03 0.00 0.00 54.58 51.79 1bld n ASN 110 Cb 0.38 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 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 -0.10 0.00 -3.49 6.41 3.02 -1.25 -4.91 115.26 114.93 1bld n ASN 111 Ca 0.32 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.73 1bld n ASN 111 Cb 1.16 -2.13 0.07 0.00 -0.61 0.00 0.00 39.78 38.27 1bld n ASN 111 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1bld n TYR 112 N -2.00 -3.18 -3.85 3.10 4.01 -1.26 -4.93 117.16 109.05 1bld n TYR 112 Ca 0.00 -1.03 -0.09 0.00 -0.16 0.00 0.00 57.90 56.62 1bld n TYR 112 Cb 0.00 -0.45 -0.08 0.00 -0.31 0.00 0.00 39.34 38.51 1bld n TYR 112 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1bld s ASN 113 N -3.46 0.09 -0.10 7.72 -0.87 -0.88 -3.19 114.94 114.24 1bld s ASN 113 Ca 0.40 -0.54 -0.01 0.00 -1.57 0.00 0.00 52.86 51.13 1bld s ASN 113 Cb -0.02 0.32 0.03 0.00 -0.02 0.00 0.00 41.25 41.56 1bld s ASN 113 CO 0.27 -0.67 -0.01 0.42 -2.57 0.00 0.00 177.10 174.54 1bld s THR 114 N -3.39 0.52 -0.54 1.60 -4.23 -1.11 -0.92 115.64 107.57 1bld s THR 114 Ca 0.01 -0.06 -0.22 0.00 -1.18 0.00 0.00 61.69 60.24 1bld s THR 114 Cb 0.03 -0.71 0.05 0.00 1.34 0.00 0.00 72.50 73.21 1bld s THR 114 CO -0.08 0.20 0.80 -0.31 -0.54 0.00 0.00 174.62 174.69 1bld s TYR 115 N 1.91 2.90 0.06 3.99 2.02 -1.26 -1.94 117.35 125.02 1bld s TYR 115 Ca 0.04 -0.29 -0.13 0.00 -0.37 0.00 0.00 57.07 56.32 1bld s TYR 115 Cb -0.13 -3.85 -0.06 0.00 -0.40 0.00 0.00 41.96 37.52 1bld s TYR 115 CO -0.06 -1.22 0.44 0.50 -1.57 0.00 0.00 175.55 173.63 1bld s ARG 116 N 3.35 3.88 0.48 -0.62 3.52 -0.44 -1.86 118.95 127.26 1bld s ARG 116 Ca 0.23 0.36 -0.22 0.00 -0.13 0.00 0.00 55.73 55.97 1bld s ARG 116 Cb -0.16 -3.09 -0.07 0.00 -1.56 0.00 0.00 34.95 30.06 1bld s ARG 116 CO 0.15 0.61 1.12 0.45 -0.81 0.00 0.00 175.30 176.82 1bld s SER 117 N -1.43 6.17 -0.04 -2.12 0.15 -1.06 -1.47 113.70 113.91 1bld s SER 117 Ca 0.30 2.17 -0.03 0.00 0.70 0.00 0.00 55.95 59.09 1bld s SER 117 Cb -0.16 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.56 1bld s SER 117 CO 0.16 -0.91 -0.05 -0.09 1.20 0.00 0.00 173.24 173.55 1bld h ARG 118 N 1.82 0.00 0.00 5.44 2.43 -1.92 -2.91 114.38 119.24 1bld h ARG 118 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1bld h ARG 118 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1bld h ARG 118 CO 0.59 0.00 0.51 -0.22 -1.51 0.00 0.00 179.97 179.35 1bld h LYS 119 N -0.33 0.00 -1.95 0.20 1.63 -1.88 -2.94 116.57 111.30 1bld h LYS 119 Ca 0.00 0.00 -0.49 0.00 -0.85 0.00 0.00 60.65 59.31 1bld h LYS 119 Cb 0.15 0.00 -0.33 0.00 -0.60 0.00 0.00 32.23 31.44 1bld h LYS 119 CO 0.00 0.00 -0.90 0.66 -3.45 0.00 0.00 179.45 175.76 1bld n TYR 120 N -2.59 -1.45 0.60 1.91 4.01 -1.26 -4.94 117.16 113.44 1bld n TYR 120 Ca -0.01 -2.95 0.02 0.00 -0.16 0.00 0.00 57.90 54.80 1bld n TYR 120 Cb 0.54 0.42 0.12 0.00 -0.31 0.00 0.00 39.34 40.11 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 2.54 0.00 1.17 -0.72 -2.24 -1.10 -2.16 114.28 111.77 1bld n THR 121 Ca 0.25 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.13 1bld n THR 121 Cb 0.51 -0.55 0.34 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.70 1.68 -4.01 3.42 7.64 -1.26 -4.87 113.62 115.51 1bld n SER 122 Ca 0.03 -1.76 -0.10 0.00 1.01 0.00 0.00 58.87 58.05 1bld n SER 122 Cb 0.01 -0.13 -0.06 0.00 -1.01 0.00 0.00 64.21 63.02 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 -1.74 0.62 0.12 1.43 0.51 -0.92 -4.93 118.94 114.03 1bld s TRP 123 Ca 0.31 -0.93 0.01 0.00 -2.12 0.00 0.00 56.10 53.36 1bld s TRP 123 Cb 0.16 -0.03 -0.04 0.00 -0.81 0.00 0.00 33.47 32.75 1bld s TRP 123 CO 0.24 -0.91 -0.01 0.71 -0.51 0.00 0.00 176.95 176.48 1bld s TYR 124 N -4.00 0.93 -0.20 -1.98 1.51 -1.26 -2.55 117.35 109.80 1bld s TYR 124 Ca 0.27 -1.05 -0.26 0.00 -1.01 0.00 0.00 57.07 55.03 1bld s TYR 124 Cb 0.01 -0.55 -0.01 0.00 -0.11 0.00 0.00 41.96 41.31 1bld s TYR 124 CO 0.10 -0.29 0.86 0.08 -1.11 0.00 0.00 175.55 175.19 1bld s VAL 125 N -3.78 4.84 -0.18 0.71 1.01 -0.78 -4.81 120.40 117.41 1bld s VAL 125 Ca 0.18 1.67 -0.15 0.00 0.00 0.00 0.00 61.98 63.67 1bld s VAL 125 Cb 0.06 -4.15 0.05 0.00 0.00 0.00 0.00 36.38 32.34 1bld s VAL 125 CO -0.01 -0.03 0.47 0.00 0.00 0.00 0.00 175.10 175.53 1bld s ALA 126 N 2.46 -1.17 0.60 5.51 0.00 -1.26 -4.64 121.76 123.26 1bld s ALA 126 Ca 0.38 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.74 1bld s ALA 126 Cb -0.16 -0.82 0.06 0.00 0.00 0.00 0.00 23.12 22.20 1bld s ALA 126 CO 0.10 -0.23 0.85 -0.51 0.00 0.00 0.00 175.76 175.97 1bld s LEU 127 N 0.47 3.16 0.00 0.00 1.43 -1.26 -2.68 118.68 119.79 1bld s LEU 127 Ca -0.02 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1bld s LEU 127 Cb -0.04 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.52 1bld s LEU 127 CO -0.02 -1.36 0.00 0.29 0.23 0.00 0.00 176.35 175.49 1bld n LYS 128 N -2.51 0.00 0.00 1.70 5.02 -0.80 -4.68 118.16 116.89 1bld n LYS 128 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1bld n LYS 128 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 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 0.00 0.00 -0.02 1.97 -4.01 -1.26 -4.82 116.66 108.52 1bld n ARG 129 Ca 0.00 -0.30 0.01 0.00 -1.04 0.00 0.00 57.85 56.52 1bld n ARG 129 Cb 0.00 -0.42 0.01 0.00 -3.04 0.00 0.00 32.46 29.01 1bld n ARG 129 CO 0.00 0.00 0.00 -2.37 -3.04 0.00 0.00 177.63 172.22 1bld n THR 130 N 0.00 0.82 -0.49 8.89 5.66 -1.26 -4.95 114.28 122.94 1bld n THR 130 Ca 0.00 -0.85 0.00 0.00 -3.05 0.00 0.00 64.05 60.15 1bld n THR 130 Cb 0.43 0.55 0.00 0.00 -1.55 0.00 0.00 70.33 69.75 1bld n THR 130 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bld n GLY 131 N -0.45 0.75 3.93 1.09 0.00 -1.26 -4.90 105.19 104.34 1bld n GLY 131 Ca 0.01 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.53 3.51 -0.26 1.61 -1.52 -1.26 0.25 119.66 121.46 1bld s GLN 132 Ca 0.00 -0.22 -0.19 0.00 -1.95 0.00 0.00 55.36 53.01 1bld s GLN 132 Cb 0.00 -2.62 -0.02 0.00 -0.22 0.00 0.00 33.01 30.14 1bld s GLN 132 CO 0.00 0.11 0.57 1.52 -0.25 0.00 0.00 175.29 177.24 1bld s TYR 133 N -2.34 3.27 0.15 0.91 1.13 -1.26 -1.90 117.35 117.31 1bld s TYR 133 Ca 0.41 0.72 -0.31 0.00 -1.41 0.00 0.00 57.07 56.49 1bld s TYR 133 Cb -0.10 -2.77 -0.08 0.00 -1.10 0.00 0.00 41.96 37.91 1bld s TYR 133 CO 0.36 -0.30 1.33 0.21 -2.51 0.00 0.00 175.55 174.64 1bld s LYS 134 N 2.39 4.37 0.56 -3.49 2.20 -1.09 -4.87 119.74 119.80 1bld s LYS 134 Ca 0.23 2.03 -0.18 0.00 -0.36 0.00 0.00 55.97 57.70 1bld s LYS 134 Cb -0.16 -3.23 -0.09 0.00 -1.51 0.00 0.00 37.83 32.84 1bld s LYS 134 CO 0.09 -0.32 0.43 -0.11 -0.36 0.00 0.00 175.35 175.07 1bld n LEU 135 N 3.26 0.11 0.01 5.43 7.94 -1.26 -4.77 117.00 127.72 1bld n LEU 135 Ca 0.08 0.72 0.08 0.00 -1.11 0.00 0.00 56.01 55.78 1bld n LEU 135 Cb 0.43 -1.13 0.35 0.00 0.53 0.00 0.00 43.42 43.61 1bld n LEU 135 CO 0.58 -3.32 0.76 0.61 -1.11 0.00 0.00 177.39 174.91 1bld n GLY 136 N 1.89 -1.07 0.09 -3.96 0.00 -1.15 -2.55 105.19 98.44 1bld n GLY 136 Ca 0.11 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1bld n GLY 136 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bld n SER 137 N -1.57 1.09 -0.00 1.61 3.41 -1.26 -3.88 113.62 113.02 1bld n SER 137 Ca 0.04 0.34 0.14 0.00 -0.26 0.00 0.00 58.87 59.12 1bld n SER 137 Cb 0.19 -0.16 0.58 0.00 -0.26 0.00 0.00 64.21 64.56 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 -3.12 0.01 -2.18 4.33 5.02 -1.06 -4.83 118.16 116.34 1bld n LYS 138 Ca -0.21 -0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.76 1bld n LYS 138 Cb 1.06 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.55 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 -2.99 4.52 -3.96 -0.18 -4.23 -1.11 -4.99 115.64 102.69 1bld s THR 139 Ca 0.14 1.07 0.00 0.00 -1.18 0.00 0.00 61.69 61.72 1bld s THR 139 Cb 0.19 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.30 1bld s THR 139 CO 0.55 -0.82 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 1bld n GLY 140 N -1.90 -2.54 3.44 3.99 0.00 -1.26 -4.74 105.19 102.18 1bld n GLY 140 Ca 0.07 -1.26 -0.28 0.00 0.00 0.00 0.00 46.02 44.54 1bld n GLY 140 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bld s PRO 141 N -1.99 -1.47 0.00 1.61 0.02 -1.26 -3.62 135.00 128.29 1bld s PRO 141 Ca 0.00 0.69 0.00 0.00 0.02 0.00 0.00 61.00 61.71 1bld s PRO 141 Cb 0.00 -1.50 0.00 0.00 0.02 0.00 0.00 34.50 33.02 1bld s PRO 141 CO 0.00 -4.05 0.00 0.41 -0.33 0.00 0.00 177.00 173.03 1bld n GLY 142 N 1.00 2.15 3.73 0.52 0.00 -1.26 -4.97 105.19 106.36 1bld n GLY 142 Ca 0.04 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 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 4.57 0.00 1.61 1.11 -1.24 -4.90 119.66 120.82 1bld s GLN 143 Ca 0.00 1.68 0.14 0.00 0.01 0.00 0.00 55.36 57.18 1bld s GLN 143 Cb 0.00 -3.31 0.63 0.00 -1.01 0.00 0.00 33.01 29.32 1bld s GLN 143 CO 0.00 0.02 1.43 1.63 0.01 0.00 0.00 175.29 178.39 1bld n LYS 144 N 2.79 1.31 0.00 2.91 5.02 -1.26 -3.80 118.16 125.14 1bld n LYS 144 Ca 0.04 -0.48 0.04 0.00 -2.02 0.00 0.00 58.31 55.89 1bld n LYS 144 Cb 0.47 -1.25 0.19 0.00 -0.02 0.00 0.00 35.03 34.42 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 -0.23 1.50 1.18 7.82 0.00 -1.26 -1.03 120.51 128.50 1bld n ALA 145 Ca 0.11 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.64 1bld n ALA 145 Cb 0.15 -1.12 0.34 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.32 0.00 -2.75 0.00 -5.35 -1.25 -4.45 119.36 104.24 1bld n ILE 146 Ca 0.03 -0.10 -0.42 0.00 -0.27 0.00 0.00 62.75 61.99 1bld n ILE 146 Cb 0.07 0.38 -0.03 0.00 -1.74 0.00 0.00 39.64 38.32 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 -2.61 4.04 0.26 7.28 1.43 -0.19 -3.69 118.68 125.19 1bld s LEU 147 Ca 0.21 -1.04 0.04 0.00 -1.03 0.00 0.00 54.13 52.31 1bld s LEU 147 Cb 0.19 -2.47 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 1bld s LEU 147 CO 0.56 -1.51 0.39 -0.36 0.23 0.00 0.00 176.35 175.67 1bld s PHE 148 N 4.44 3.46 -0.40 0.29 0.40 -0.10 -3.21 117.98 122.86 1bld s PHE 148 Ca 0.30 0.06 0.07 0.00 -0.60 0.00 0.00 56.93 56.76 1bld s PHE 148 Cb -0.11 -1.64 0.24 0.00 0.51 0.00 0.00 43.02 42.02 1bld s PHE 148 CO 0.07 0.38 0.50 -0.11 0.70 0.00 0.00 175.22 176.76 1bld n LEU 149 N -1.43 0.22 -4.64 -0.37 7.94 -0.82 -2.08 117.00 115.83 1bld n LEU 149 Ca -0.08 -4.67 -0.42 0.00 -1.11 0.00 0.00 56.01 49.72 1bld n LEU 149 Cb 0.57 0.57 -0.03 0.00 0.53 0.00 0.00 43.42 45.06 1bld n LEU 149 CO 0.46 2.04 1.63 -2.84 -1.11 0.00 0.00 177.39 177.57 1bld s PRO 150 N -1.05 3.80 -0.26 1.96 0.02 -1.26 -3.73 135.00 134.48 1bld s PRO 150 Ca 0.35 2.29 -0.15 0.00 0.02 0.00 0.00 61.00 63.52 1bld s PRO 150 Cb 0.15 -4.20 -0.04 0.00 0.02 0.00 0.00 34.50 30.43 1bld s PRO 150 CO -0.12 -1.33 0.35 -1.64 -0.33 0.00 0.00 177.00 173.93 1bld s MET 151 N 5.02 4.04 0.23 5.54 -1.94 -0.74 -4.89 119.30 126.56 1bld s MET 151 Ca 0.89 0.03 -0.30 0.00 -1.71 0.00 0.00 55.69 54.60 1bld s MET 151 Cb -0.37 -3.63 -0.09 0.00 2.01 0.00 0.00 34.83 32.75 1bld s MET 151 CO 0.37 -0.21 1.30 0.45 -0.01 0.00 0.00 175.02 176.92 1bld s SER 152 N 1.51 6.89 -1.10 3.03 0.15 -1.26 -2.20 113.70 120.72 1bld s SER 152 Ca 0.15 2.46 -0.06 0.00 0.70 0.00 0.00 55.95 59.19 1bld s SER 152 Cb -0.15 -2.62 0.02 0.00 -1.71 0.00 0.00 66.02 61.56 1bld s SER 152 CO 0.09 -0.51 2.72 0.00 1.20 0.00 0.00 173.24 176.74 1bld n ALA 153 N 2.22 6.89 -1.00 5.45 0.00 -1.09 -4.72 120.51 128.25 1bld n ALA 153 Ca 0.05 -3.54 0.00 0.00 0.00 0.00 0.00 53.44 49.95 1bld n ALA 153 Cb 0.43 -2.75 0.00 0.00 0.00 0.00 0.00 19.45 17.12 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 2.07 0.00 0.00 0.00 5.02 -1.26 -4.87 118.16 119.13 1bld n LYS 154 Ca 0.62 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 57.04 1bld n LYS 154 Cb 0.37 -0.39 0.43 0.00 -0.02 0.00 0.00 35.03 35.42 1bld n LYS 154 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31