#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 0.00 -3.60 -5.12 0.00 -1.26 -4.81 120.51 105.72 1bld n ALA 2 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1bld n ALA 2 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 0.00 -1.32 -0.65 0.00 1.02 -1.26 -4.57 120.64 113.86 1bld n GLU 3 Ca 0.00 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 1bld n GLU 3 Cb 0.00 -3.61 0.00 0.00 -0.02 0.00 0.00 31.44 27.81 1bld n GLU 3 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bld n GLY 4 N -1.72 -3.62 3.41 0.62 0.00 -1.26 -4.93 105.19 97.69 1bld n GLY 4 Ca -0.17 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 1bld n GLY 4 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bld s GLU 5 N -5.02 -1.87 -0.70 1.61 0.41 -1.26 -4.70 118.70 107.16 1bld s GLU 5 Ca 0.00 0.42 -0.25 0.00 -0.41 0.00 0.00 54.97 54.73 1bld s GLU 5 Cb 0.00 -1.48 -0.13 0.00 -1.78 0.00 0.00 34.13 30.74 1bld s GLU 5 CO 0.00 -4.25 2.43 0.44 -0.49 0.00 0.00 175.26 173.39 1bld n ILE 6 N -5.23 -0.04 -3.78 -1.63 -5.35 -1.26 -4.85 119.36 97.22 1bld n ILE 6 Ca 0.08 -0.58 -0.12 0.00 -0.27 0.00 0.00 62.75 61.85 1bld n ILE 6 Cb 0.57 -2.03 -0.08 0.00 -1.74 0.00 0.00 39.64 36.36 1bld n ILE 6 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1bld s THR 7 N 11.85 0.07 0.00 7.28 2.01 -1.26 -4.94 115.64 130.65 1bld s THR 7 Ca 1.03 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 62.44 1bld s THR 7 Cb -0.33 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.48 1bld s THR 7 CO 0.25 -0.33 0.00 0.41 -0.69 0.00 0.00 174.62 174.26 1bld n THR 8 N 1.07 0.00 -3.81 -0.82 -1.04 -1.26 -5.03 114.28 103.39 1bld n THR 8 Ca -0.21 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.52 1bld n THR 8 Cb 0.57 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.96 1bld n THR 8 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1bld s LEU 9 N 0.00 4.18 0.00 -4.42 1.43 -1.26 -5.10 118.68 113.51 1bld s LEU 9 Ca 0.00 -3.70 0.00 0.00 -1.03 0.00 0.00 54.13 49.40 1bld s LEU 9 Cb 0.00 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.81 1bld s LEU 9 CO 0.00 -0.10 0.00 -2.65 0.23 0.00 0.00 176.35 173.83 1bld n PRO 10 N 2.15 -1.88 -1.52 1.29 -0.02 -1.26 -4.56 135.00 129.20 1bld n PRO 10 Ca 0.21 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.40 1bld n PRO 10 Cb 0.37 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.71 1bld n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bld n ALA 11 N -3.00 0.67 -2.69 3.55 0.00 -1.26 -4.59 120.51 113.18 1bld n ALA 11 Ca 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 53.44 52.65 1bld n ALA 11 Cb 0.00 -2.61 0.08 0.00 0.00 0.00 0.00 19.45 16.92 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 10.81 -1.74 0.00 0.00 7.94 -1.26 -5.09 117.00 127.66 1bld n LEU 12 Ca 0.60 -2.33 0.00 0.00 -1.11 0.00 0.00 56.01 53.17 1bld n LEU 12 Cb 0.21 0.75 0.00 0.00 0.53 0.00 0.00 43.42 44.90 1bld n LEU 12 CO 0.90 1.72 0.00 -0.81 -1.11 0.00 0.00 177.39 178.10 1bld n PRO 13 N 1.21 -1.18 -2.69 1.96 -0.04 -1.26 -5.05 135.00 127.94 1bld n PRO 13 Ca 0.02 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.42 1bld n PRO 13 Cb 0.70 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.23 1bld n PRO 13 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1bld n GLU 14 N -1.51 0.34 0.00 0.54 2.13 -1.26 -4.99 120.64 115.88 1bld n GLU 14 Ca 0.00 -1.04 0.00 0.00 0.66 0.00 0.00 57.16 56.78 1bld n GLU 14 Cb 0.00 -0.63 0.00 0.00 0.27 0.00 0.00 31.44 31.08 1bld n GLU 14 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1bld n ASP 15 N 1.59 0.00 0.00 4.31 -0.08 -1.26 -5.12 116.55 116.00 1bld n ASP 15 Ca 0.04 -1.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.32 1bld n ASP 15 Cb 0.68 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.14 1bld n ASP 15 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1bld n GLY 16 N 0.00 1.29 0.00 0.27 0.00 -1.26 -4.79 105.19 100.70 1bld n GLY 16 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.59 2.44 -0.02 0.00 -1.26 -5.04 105.19 100.72 1bld n GLY 17 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 7.69 -0.57 1.61 2.88 -1.26 -3.87 113.62 120.10 1bld n SER 18 Ca 0.00 -3.06 -0.02 0.00 -1.33 0.00 0.00 58.87 54.46 1bld n SER 18 Cb 0.00 -1.36 -0.02 0.00 -0.75 0.00 0.00 64.21 62.08 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 1.81 0.32 2.27 0.46 0.00 -1.26 -4.96 105.19 103.83 1bld n GLY 19 Ca 0.61 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.24 -3.22 4.61 0.00 -1.25 -3.56 120.51 116.85 1bld n ALA 20 Ca -0.09 0.14 -0.07 0.00 0.00 0.00 0.00 53.44 53.41 1bld n ALA 20 Cb 0.42 -1.36 0.01 0.00 0.00 0.00 0.00 19.45 18.52 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 -3.26 -2.72 -0.74 0.00 3.72 -1.26 -4.12 117.46 109.07 1bld n PHE 21 Ca -0.12 1.01 -0.29 0.00 -0.05 0.00 0.00 57.45 58.01 1bld n PHE 21 Cb 0.47 -3.90 0.22 0.00 -0.94 0.00 0.00 39.48 35.33 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 -3.65 -0.32 0.53 -1.08 0.05 -1.23 -4.93 135.00 124.37 1bld s PRO 22 Ca 0.10 0.84 -0.22 0.00 0.05 0.00 0.00 61.00 61.77 1bld s PRO 22 Cb -0.02 -1.62 -0.06 0.00 0.05 0.00 0.00 34.50 32.84 1bld s PRO 22 CO 0.77 -3.32 1.19 -2.30 0.05 0.00 0.00 177.00 173.39 1bld n PRO 23 N -4.64 1.45 0.00 0.56 -0.01 -1.26 -4.78 135.00 126.33 1bld n PRO 23 Ca 0.05 0.54 0.00 0.00 -0.01 0.00 0.00 63.50 64.07 1bld n PRO 23 Cb 0.55 -2.37 0.00 0.00 -0.01 0.00 0.00 33.50 31.67 1bld n PRO 23 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1bld n GLY 24 N 0.97 0.07 0.19 -1.23 0.00 -1.26 -4.96 105.19 98.96 1bld n GLY 24 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.65 0.00 0.71 1.61 -0.00 -1.26 -4.87 115.22 110.77 1bld n HIS 25 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1bld n HIS 25 Cb 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 29.99 30.05 1bld n HIS 25 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1bld n PHE 26 N 0.00 0.00 0.65 -1.40 3.01 -1.26 -3.00 117.46 115.46 1bld n PHE 26 Ca 0.00 -0.07 0.11 0.00 1.01 0.00 0.00 57.45 58.51 1bld n PHE 26 Cb 0.55 -0.10 0.06 0.00 -0.01 0.00 0.00 39.48 39.98 1bld n PHE 26 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1bld n LYS 27 N 0.24 0.23 -4.29 -1.08 5.02 -1.26 -4.75 118.16 112.27 1bld n LYS 27 Ca 0.00 0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 56.02 1bld n LYS 27 Cb 0.21 -1.58 -0.10 0.00 -0.02 0.00 0.00 35.03 33.54 1bld n LYS 27 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bld s ASP 28 N -3.78 4.14 1.24 4.39 1.01 -1.16 -5.08 116.67 117.43 1bld s ASP 28 Ca 0.05 -0.55 -0.16 0.00 0.71 0.00 0.00 52.55 52.61 1bld s ASP 28 Cb 0.15 -0.67 0.29 0.00 1.01 0.00 0.00 42.92 43.70 1bld s ASP 28 CO 0.78 0.14 0.84 -0.81 0.21 0.00 0.00 175.17 176.33 1bld n PRO 29 N 0.39 -2.92 -3.88 8.23 -0.04 -1.26 -4.64 135.00 130.88 1bld n PRO 29 Ca -0.13 -0.83 -0.16 0.00 -0.04 0.00 0.00 63.50 62.34 1bld n PRO 29 Cb 0.54 -2.04 -0.16 0.00 -0.04 0.00 0.00 33.50 31.80 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 -4.34 0.18 -0.31 0.54 1.02 -0.60 -2.84 119.74 113.39 1bld s LYS 30 Ca 0.66 0.10 -0.25 0.00 0.02 0.00 0.00 55.97 56.50 1bld s LYS 30 Cb -0.21 -0.38 0.00 0.00 -0.52 0.00 0.00 37.83 36.72 1bld s LYS 30 CO 0.64 -0.13 0.86 1.03 -0.92 0.00 0.00 175.35 176.83 1bld s ARG 31 N 0.93 3.98 -0.81 1.68 0.52 -1.20 -3.97 118.95 120.08 1bld s ARG 31 Ca -0.09 0.70 -0.23 0.00 -0.52 0.00 0.00 55.73 55.60 1bld s ARG 31 Cb -0.12 -3.73 0.07 0.00 0.52 0.00 0.00 34.95 31.69 1bld s ARG 31 CO -0.02 -0.73 1.18 -0.51 0.02 0.00 0.00 175.30 175.23 1bld s LEU 32 N 3.13 4.06 -0.33 2.53 1.43 -1.26 -2.04 118.68 126.19 1bld s LEU 32 Ca 0.36 -1.19 -0.20 0.00 -1.03 0.00 0.00 54.13 52.07 1bld s LEU 32 Cb -0.14 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.60 1bld s LEU 32 CO 0.13 -1.47 0.59 -0.47 0.23 0.00 0.00 176.35 175.37 1bld s TYR 33 N 4.35 3.19 -0.59 0.29 5.04 -1.24 -2.62 117.35 125.78 1bld s TYR 33 Ca 0.33 0.42 -0.26 0.00 -2.44 0.00 0.00 57.07 55.12 1bld s TYR 33 Cb -0.09 -3.00 0.04 0.00 0.35 0.00 0.00 41.96 39.27 1bld s TYR 33 CO 0.03 -0.52 1.06 0.00 -1.34 0.00 0.00 175.55 174.78 1bld h LYS 35 N 9.48 0.00 -6.47 0.00 3.11 -1.87 -1.95 116.57 118.87 1bld h LYS 35 Ca -0.26 0.00 -0.55 0.00 -2.81 0.00 0.00 60.65 57.03 1bld h LYS 35 Cb 1.06 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 32.23 1bld h LYS 35 CO 1.15 0.00 1.05 -0.80 -2.81 0.00 0.00 179.45 178.04 1bld s ASN 36 N -5.54 6.26 0.00 4.20 0.01 -1.26 -3.02 114.94 115.58 1bld s ASN 36 Ca -0.05 0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.24 1bld s ASN 36 Cb 0.14 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.25 1bld s ASN 36 CO 0.48 -1.64 0.00 0.61 -1.51 0.00 0.00 177.10 175.05 1bld n GLY 37 N 5.19 0.68 3.12 0.66 0.00 -1.26 -4.34 105.19 109.25 1bld n GLY 37 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.26 -1.05 3.00 -0.02 0.00 -0.79 -5.01 105.19 99.06 1bld n GLY 38 Ca 0.00 0.50 -0.13 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.41 -0.18 -0.02 1.61 0.08 -0.86 -4.83 117.98 112.36 1bld s PHE 39 Ca 0.11 0.48 -0.16 0.00 0.12 0.00 0.00 56.93 57.48 1bld s PHE 39 Cb -0.02 0.01 -0.05 0.00 -0.57 0.00 0.00 43.02 42.39 1bld s PHE 39 CO 0.45 -0.13 0.45 -0.06 -0.10 0.00 0.00 175.22 175.83 1bld s PHE 40 N 0.59 3.68 0.34 0.36 0.40 -0.36 -0.72 117.98 122.28 1bld s PHE 40 Ca -0.04 1.01 -0.26 0.00 -0.60 0.00 0.00 56.93 57.03 1bld s PHE 40 Cb -0.06 -2.39 -0.09 0.00 0.51 0.00 0.00 43.02 40.99 1bld s PHE 40 CO -0.03 0.51 1.06 -1.17 0.70 0.00 0.00 175.22 176.28 1bld s LEU 41 N -0.62 4.33 -0.12 -0.37 2.96 -1.08 -0.31 118.68 123.46 1bld s LEU 41 Ca 0.25 2.11 -0.05 0.00 -0.22 0.00 0.00 54.13 56.22 1bld s LEU 41 Cb -0.17 -3.94 0.06 0.00 0.50 0.00 0.00 46.19 42.64 1bld s LEU 41 CO 0.13 -0.31 0.25 -0.60 -1.32 0.00 0.00 176.35 174.50 1bld s ARG 42 N -2.02 0.15 -0.48 1.98 3.52 -0.65 -4.63 118.95 116.81 1bld s ARG 42 Ca 0.52 0.68 -0.21 0.00 -0.13 0.00 0.00 55.73 56.59 1bld s ARG 42 Cb -0.26 -0.08 0.04 0.00 -1.56 0.00 0.00 34.95 33.10 1bld s ARG 42 CO 0.32 -0.26 0.68 0.42 -0.81 0.00 0.00 175.30 175.66 1bld s ILE 43 N 2.12 4.78 0.62 4.11 1.01 -1.26 -2.53 121.20 130.05 1bld s ILE 43 Ca -0.01 -0.12 -0.17 0.00 0.00 0.00 0.00 60.65 60.34 1bld s ILE 43 Cb -0.12 -4.29 -0.02 0.00 0.01 0.00 0.00 42.46 38.04 1bld s ILE 43 CO -0.08 -0.76 1.16 -1.00 0.00 0.00 0.00 174.94 174.26 1bld s HIS 44 N 2.91 2.45 0.53 3.97 3.76 -0.90 -4.64 115.29 123.37 1bld s HIS 44 Ca 0.21 1.55 0.23 0.00 -0.15 0.00 0.00 55.06 56.90 1bld s HIS 44 Cb -0.16 -3.36 1.39 0.00 1.11 0.00 0.00 32.58 31.56 1bld s HIS 44 CO 0.16 -2.00 2.04 -1.35 -0.85 0.00 0.00 174.74 172.74 1bld h PRO 45 N 0.55 0.00 0.00 8.40 0.10 -1.90 0.32 132.00 139.46 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 -4.36 0.00 0.00 -2.05 5.68 -1.26 -4.81 116.55 109.75 1bld n ASP 46 Ca 0.06 -1.17 0.00 0.00 -0.50 0.00 0.00 54.79 53.18 1bld n ASP 46 Cb 0.47 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 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 0.36 2.81 3.60 6.12 0.00 0.11 -4.88 105.19 113.32 1bld n GLY 47 Ca 0.08 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.75 1.45 -3.23 1.61 1.74 -1.26 -3.48 116.66 112.75 1bld n ARG 48 Ca 0.00 0.49 -0.39 0.00 -0.77 0.00 0.00 57.85 57.18 1bld n ARG 48 Cb 0.00 -2.43 -0.06 0.00 -1.02 0.00 0.00 32.46 28.95 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 5.27 5.12 0.01 1.55 1.01 -1.26 -2.12 120.40 129.97 1bld s VAL 49 Ca 1.01 1.06 -0.21 0.00 0.00 0.00 0.00 61.98 63.84 1bld s VAL 49 Cb -0.86 -3.88 0.04 0.00 0.00 0.00 0.00 36.38 31.69 1bld s VAL 49 CO 0.55 0.24 0.46 1.51 0.00 0.00 0.00 175.10 177.86 1bld s ASP 50 N 0.87 -0.36 0.38 3.32 -4.77 -1.05 -4.11 116.67 110.95 1bld s ASP 50 Ca 0.28 0.21 -0.01 0.00 -3.30 0.00 0.00 52.55 49.73 1bld s ASP 50 Cb -0.16 0.43 -0.03 0.00 -1.09 0.00 0.00 42.92 42.07 1bld s ASP 50 CO 0.11 -0.60 0.61 -0.83 0.70 0.00 0.00 175.17 175.16 1bld s GLY 51 N -1.61 1.39 0.02 2.12 0.00 0.23 -1.64 107.32 107.82 1bld s GLY 51 Ca -0.09 -0.83 -0.13 0.00 0.00 0.00 0.00 44.72 43.66 1bld s GLY 51 CO 0.03 -0.74 0.28 -1.34 0.00 0.00 0.00 173.10 171.33 1bld s VAL 52 N -2.43 0.07 0.11 1.40 -7.23 0.57 -4.63 120.40 108.27 1bld s VAL 52 Ca 0.42 -0.62 0.13 0.00 -1.81 0.00 0.00 61.98 60.10 1bld s VAL 52 Cb -0.10 -0.77 -0.02 0.00 0.56 0.00 0.00 36.38 36.06 1bld s VAL 52 CO 0.38 -0.34 1.51 0.03 -0.31 0.00 0.00 175.10 176.37 1bld h ARG 53 N 3.58 0.00 -5.19 4.82 2.47 -1.88 -0.93 114.38 117.25 1bld h ARG 53 Ca -0.31 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.04 1bld h ARG 53 Cb 1.19 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.45 1bld h ARG 53 CO 0.43 0.64 1.51 0.39 0.56 0.00 0.00 179.97 183.50 1bld n GLU 54 N -3.48 0.33 -0.28 0.04 -0.58 -1.26 -4.69 120.64 110.72 1bld n GLU 54 Ca 0.00 -0.15 -0.02 0.00 -0.42 0.00 0.00 57.16 56.57 1bld n GLU 54 Cb 0.70 -2.18 0.08 0.00 -0.57 0.00 0.00 31.44 29.47 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 7.89 1.67 -1.98 3.49 2.85 -1.26 -3.72 118.16 127.09 1bld n LYS 55 Ca 0.57 -0.80 -0.02 0.00 -1.05 0.00 0.00 58.31 57.01 1bld n LYS 55 Cb 0.24 -1.50 0.03 0.00 -0.65 0.00 0.00 35.03 33.16 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 0.12 -0.25 -4.82 -5.58 3.41 -1.26 -4.96 113.62 100.27 1bld n SER 56 Ca 0.12 -2.07 -0.38 0.00 -0.26 0.00 0.00 58.87 56.27 1bld n SER 56 Cb 0.66 0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.70 1bld n SER 56 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1bld s ASP 57 N -1.79 6.93 0.00 4.04 2.15 -1.24 -4.93 116.67 121.83 1bld s ASP 57 Ca 0.15 1.11 0.02 0.00 0.43 0.00 0.00 52.55 54.25 1bld s ASP 57 Cb 0.28 -2.30 0.09 0.00 -0.30 0.00 0.00 42.92 40.69 1bld s ASP 57 CO -0.08 0.30 0.81 -0.81 -0.17 0.00 0.00 175.17 175.22 1bld n PRO 58 N 1.77 0.03 0.01 4.34 -0.04 -1.26 -1.26 135.00 138.59 1bld n PRO 58 Ca -0.12 0.22 0.04 0.00 -0.04 0.00 0.00 63.50 63.60 1bld n PRO 58 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 1bld n PRO 58 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1bld n HIS 59 N -1.23 0.55 0.91 0.54 8.25 -1.26 -3.97 115.22 119.01 1bld n HIS 59 Ca 0.01 0.17 0.01 0.00 -0.26 0.00 0.00 57.72 57.65 1bld n HIS 59 Cb 0.01 -0.88 0.05 0.00 1.12 0.00 0.00 29.99 30.29 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 -2.65 0.00 -3.12 1.59 -5.35 -0.39 -4.36 119.36 105.09 1bld n ILE 60 Ca -0.10 0.00 -0.45 0.00 -0.27 0.00 0.00 62.75 61.93 1bld n ILE 60 Cb 0.76 -0.33 -0.02 0.00 -1.74 0.00 0.00 39.64 38.31 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 3.72 -0.07 6.28 -0.14 -1.25 -4.50 119.74 121.78 1bld s LYS 61 Ca 0.03 -2.26 -0.15 0.00 -1.36 0.00 0.00 55.97 52.22 1bld s LYS 61 Cb 0.01 -4.72 -0.05 0.00 -1.68 0.00 0.00 37.83 31.39 1bld s LYS 61 CO 0.02 -1.54 0.39 -0.51 -0.76 0.00 0.00 175.35 172.95 1bld s LEU 62 N 1.23 4.37 -0.45 3.17 1.43 -1.25 -3.30 118.68 123.88 1bld s LEU 62 Ca 0.28 0.80 -0.20 0.00 -1.03 0.00 0.00 54.13 53.98 1bld s LEU 62 Cb -0.07 -2.54 0.03 0.00 0.03 0.00 0.00 46.19 43.63 1bld s LEU 62 CO -0.08 0.19 0.63 -1.58 0.23 0.00 0.00 176.35 175.74 1bld s GLN 63 N -0.27 3.25 0.19 1.70 0.74 0.15 -1.56 119.66 123.86 1bld s GLN 63 Ca 0.22 -0.44 -0.06 0.00 0.05 0.00 0.00 55.36 55.13 1bld s GLN 63 Cb -0.15 -3.97 -0.06 0.00 1.10 0.00 0.00 33.01 29.93 1bld s GLN 63 CO 0.10 -1.03 0.45 -0.51 -0.55 0.00 0.00 175.29 173.75 1bld s LEU 64 N 2.78 4.20 0.00 3.68 1.02 -1.26 -1.11 118.68 128.00 1bld s LEU 64 Ca 0.21 0.68 -0.08 0.00 0.02 0.00 0.00 54.13 54.97 1bld s LEU 64 Cb -0.15 -3.44 0.00 0.00 0.02 0.00 0.00 46.19 42.63 1bld s LEU 64 CO 0.18 -0.03 0.16 -1.58 0.02 0.00 0.00 176.35 175.10 1bld s GLN 65 N -2.89 0.52 0.18 1.70 -0.44 -0.19 -4.78 119.66 113.76 1bld s GLN 65 Ca 0.43 -0.41 -0.05 0.00 -2.50 0.00 0.00 55.36 52.83 1bld s GLN 65 Cb -0.12 0.22 -0.06 0.00 -1.64 0.00 0.00 33.01 31.41 1bld s GLN 65 CO 0.25 -0.13 0.43 0.00 0.50 0.00 0.00 175.29 176.34 1bld s ALA 66 N -1.49 3.73 0.00 1.58 0.00 -1.26 0.53 121.76 124.85 1bld s ALA 66 Ca -0.14 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1bld s ALA 66 Cb -0.07 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 20.85 1bld s ALA 66 CO 0.01 0.58 0.00 -1.91 0.00 0.00 0.00 175.76 174.44 1bld n GLU 67 N -0.11 0.00 0.00 0.00 4.07 -0.91 -4.84 120.64 118.85 1bld n GLU 67 Ca -0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 1bld n GLU 67 Cb 0.52 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.90 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 -0.66 3.62 -3.31 5.31 1.02 -1.25 -5.00 120.64 120.38 1bld n GLU 68 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 1bld n GLU 68 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 1bld n GLU 68 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1bld s ARG 69 N 3.03 4.25 -1.52 3.49 0.52 -1.26 -4.01 118.95 123.45 1bld s ARG 69 Ca 0.00 0.39 -0.04 0.00 -0.52 0.00 0.00 55.73 55.55 1bld s ARG 69 Cb 0.00 -3.50 0.02 0.00 0.52 0.00 0.00 34.95 31.99 1bld s ARG 69 CO 0.00 0.01 0.45 0.41 0.02 0.00 0.00 175.30 176.19 1bld n GLY 70 N 3.61 -0.51 2.68 -3.53 0.00 -1.26 -4.95 105.19 101.23 1bld n GLY 70 Ca -0.06 0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.08 0.56 -0.22 1.61 1.01 -1.26 -3.29 120.40 115.74 1bld s VAL 71 Ca 0.25 -1.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 1bld s VAL 71 Cb -0.12 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1bld s VAL 71 CO 0.31 -0.60 0.10 0.68 0.00 0.00 0.00 175.10 175.58 1bld s VAL 72 N 1.79 4.86 -0.21 2.92 -7.23 -1.25 -2.15 120.40 119.13 1bld s VAL 72 Ca 0.08 0.00 -0.20 0.00 -1.81 0.00 0.00 61.98 60.05 1bld s VAL 72 Cb -0.17 -3.23 -0.03 0.00 0.56 0.00 0.00 36.38 33.51 1bld s VAL 72 CO -0.25 0.39 0.60 -0.44 -0.31 0.00 0.00 175.10 175.10 1bld s SER 73 N 0.89 6.64 0.22 4.85 0.01 0.19 -3.86 113.70 122.64 1bld s SER 73 Ca 0.05 0.77 -0.11 0.00 1.31 0.00 0.00 55.95 57.97 1bld s SER 73 Cb -0.13 -2.33 -0.07 0.00 0.21 0.00 0.00 66.02 63.69 1bld s SER 73 CO 0.03 -0.27 0.58 -0.63 0.41 0.00 0.00 173.24 173.36 1bld s ILE 74 N 1.95 4.87 -0.08 1.44 1.01 -1.26 -1.02 121.20 128.12 1bld s ILE 74 Ca 0.27 0.63 -0.08 0.00 0.00 0.00 0.00 60.65 61.47 1bld s ILE 74 Cb -0.16 -3.64 0.02 0.00 0.01 0.00 0.00 42.46 38.69 1bld s ILE 74 CO 0.10 -0.02 0.22 -0.75 0.00 0.00 0.00 174.94 174.49 1bld s LYS 75 N -2.64 0.26 0.02 2.79 2.20 -0.26 -3.89 119.74 118.21 1bld s LYS 75 Ca 0.46 0.31 -0.25 0.00 -0.36 0.00 0.00 55.97 56.13 1bld s LYS 75 Cb -0.12 0.13 -0.05 0.00 -1.51 0.00 0.00 37.83 36.28 1bld s LYS 75 CO 0.20 -0.03 0.76 0.20 -0.36 0.00 0.00 175.35 176.12 1bld s GLY 76 N 0.12 2.76 0.00 5.54 0.00 0.25 0.32 107.32 116.32 1bld s GLY 76 Ca -0.00 0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.98 1bld s GLY 76 CO 0.00 1.13 0.10 -0.62 0.00 0.00 0.00 173.10 173.71 1bld n VAL 77 N 3.02 0.00 -0.30 1.40 0.31 -1.21 -1.32 118.33 120.23 1bld n VAL 77 Ca -0.02 0.49 -0.05 0.00 -0.01 0.00 0.00 64.34 64.74 1bld n VAL 77 Cb 0.50 -1.27 0.07 0.00 -0.91 0.00 0.00 33.84 32.24 1bld n VAL 77 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1bld h SER 78 N 0.00 1.11 0.77 4.52 0.02 -1.83 -1.67 113.55 116.48 1bld h SER 78 Ca 0.00 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.74 1bld h SER 78 Cb 0.00 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 1bld h SER 78 CO 0.00 0.96 -0.23 0.00 -1.14 0.00 0.00 176.83 176.42 1bld h ALA 79 N 1.20 1.08 -6.29 3.77 0.00 -1.83 -3.47 119.26 113.72 1bld h ALA 79 Ca 0.28 -0.21 -0.46 0.00 0.00 0.00 0.00 54.91 54.52 1bld h ALA 79 Cb 0.18 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1bld h ALA 79 CO -0.03 0.29 -0.87 0.09 0.00 0.00 0.00 179.25 178.74 1bld n ASN 80 N -3.48 -1.08 -3.80 0.00 3.02 -0.43 -4.90 115.26 104.58 1bld n ASN 80 Ca -0.00 -0.92 -0.12 0.00 -0.03 0.00 0.00 54.58 53.50 1bld n ASN 80 Cb 0.40 -3.53 -0.10 0.00 -0.61 0.00 0.00 39.78 35.94 1bld n ASN 80 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1bld s ARG 81 N -6.24 0.53 -0.15 3.52 0.52 -1.21 -4.62 118.95 111.30 1bld s ARG 81 Ca 0.04 -0.15 -0.18 0.00 -0.52 0.00 0.00 55.73 54.91 1bld s ARG 81 Cb -0.01 0.23 -0.04 0.00 0.52 0.00 0.00 34.95 35.65 1bld s ARG 81 CO 0.85 -0.13 0.50 0.71 0.02 0.00 0.00 175.30 177.25 1bld s TYR 82 N -1.05 3.47 0.63 -0.53 1.51 0.13 -0.58 117.35 120.92 1bld s TYR 82 Ca -0.11 0.86 -0.18 0.00 -1.01 0.00 0.00 57.07 56.63 1bld s TYR 82 Cb -0.05 -2.61 -0.03 0.00 -0.11 0.00 0.00 41.96 39.16 1bld s TYR 82 CO 0.03 0.07 1.14 -0.11 -1.11 0.00 0.00 175.55 175.56 1bld n LEU 83 N 4.08 4.93 -4.04 -1.29 7.94 -1.25 -2.32 117.00 125.05 1bld n LEU 83 Ca -0.06 0.82 -0.10 0.00 -1.11 0.00 0.00 56.01 55.56 1bld n LEU 83 Cb 0.51 -1.48 -0.06 0.00 0.53 0.00 0.00 43.42 42.92 1bld n LEU 83 CO 0.43 -1.41 0.09 0.00 -1.11 0.00 0.00 177.39 175.40 1bld s ALA 84 N -1.45 0.07 -0.02 1.96 0.00 0.11 -4.28 121.76 118.15 1bld s ALA 84 Ca 0.79 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1bld s ALA 84 Cb -0.40 1.14 0.02 0.00 0.00 0.00 0.00 23.12 23.88 1bld s ALA 84 CO 0.43 -0.80 0.00 1.41 0.00 0.00 0.00 175.76 176.81 1bld s MET 85 N -4.02 0.22 0.00 0.00 1.75 -1.21 -2.16 119.30 113.88 1bld s MET 85 Ca 0.26 0.07 0.00 0.00 -1.25 0.00 0.00 55.69 54.77 1bld s MET 85 Cb 0.01 -0.39 0.00 0.00 2.84 0.00 0.00 34.83 37.29 1bld s MET 85 CO 0.10 -0.11 0.00 1.63 -0.65 0.00 0.00 175.02 175.99 1bld n LYS 86 N 3.98 0.75 -0.01 4.11 4.76 -0.60 -4.94 118.16 126.21 1bld n LYS 86 Ca -0.25 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.05 1bld n LYS 86 Cb 0.51 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 -0.65 0.68 0.00 1.97 1.02 -1.26 -3.73 120.64 118.68 1bld n GLU 87 Ca 0.00 0.29 0.08 0.00 -0.02 0.00 0.00 57.16 57.51 1bld n GLU 87 Cb 0.00 -1.76 0.47 0.00 -0.02 0.00 0.00 31.44 30.13 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 -3.22 0.00 0.00 1.62 5.68 -1.26 -4.78 116.55 114.59 1bld n ASP 88 Ca -0.22 -0.35 0.00 0.00 -0.50 0.00 0.00 54.79 53.72 1bld n ASP 88 Cb 1.05 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.94 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 0.06 0.72 3.69 6.12 0.00 -1.24 -4.64 105.19 109.90 1bld n GLY 89 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.59 4.33 -0.04 1.61 0.52 -1.26 -2.85 118.95 120.67 1bld s ARG 90 Ca 0.00 1.81 -0.17 0.00 -0.52 0.00 0.00 55.73 56.85 1bld s ARG 90 Cb 0.00 -3.52 -0.05 0.00 0.52 0.00 0.00 34.95 31.89 1bld s ARG 90 CO 0.00 -0.47 0.46 -0.51 0.02 0.00 0.00 175.30 174.80 1bld s LEU 91 N 2.10 4.40 0.00 2.53 1.02 -1.26 -1.56 118.68 125.91 1bld s LEU 91 Ca 0.60 0.94 -0.01 0.00 0.02 0.00 0.00 54.13 55.68 1bld s LEU 91 Cb -0.28 -2.67 0.00 0.00 0.02 0.00 0.00 46.19 43.26 1bld s LEU 91 CO 0.25 0.18 0.16 0.00 0.02 0.00 0.00 176.35 176.97 1bld n LEU 92 N 2.57 0.00 -3.93 1.79 -0.00 -0.92 -4.22 117.00 112.29 1bld n LEU 92 Ca -0.11 -0.90 -0.08 0.00 -0.00 0.00 0.00 56.01 54.92 1bld n LEU 92 Cb 0.52 0.84 -0.08 0.00 -0.00 0.00 0.00 43.42 44.69 1bld n LEU 92 CO 0.40 -0.21 -0.19 0.00 -0.00 0.00 0.00 177.39 177.39 1bld s ALA 93 N -1.91 0.00 0.23 1.47 0.00 -1.23 0.08 121.76 120.40 1bld s ALA 93 Ca 0.09 -0.76 -0.08 0.00 0.00 0.00 0.00 51.96 51.21 1bld s ALA 93 Cb -0.00 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.47 1bld s ALA 93 CO 0.06 -0.43 0.33 0.45 0.00 0.00 0.00 175.76 176.17 1bld s SER 94 N -2.72 0.01 0.14 0.00 0.15 -0.98 -4.74 113.70 105.56 1bld s SER 94 Ca 0.03 -1.12 0.11 0.00 0.70 0.00 0.00 55.95 55.67 1bld s SER 94 Cb 0.05 0.50 -0.12 0.00 -1.71 0.00 0.00 66.02 64.73 1bld s SER 94 CO -0.09 -1.01 1.20 0.11 1.20 0.00 0.00 173.24 174.64 1bld h LYS 95 N 2.41 0.00 -6.61 5.44 1.57 -1.89 0.38 116.57 117.87 1bld h LYS 95 Ca -0.30 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.00 1bld h LYS 95 Cb 1.25 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.58 1bld h LYS 95 CO 0.43 0.70 -0.13 -1.12 -0.57 0.00 0.00 179.45 178.76 1bld s SER 96 N -6.45 6.27 0.31 0.86 0.01 -1.26 -4.68 113.70 108.77 1bld s SER 96 Ca 0.01 0.54 -0.03 0.00 1.31 0.00 0.00 55.95 57.78 1bld s SER 96 Cb 0.09 -2.06 -0.04 0.00 0.21 0.00 0.00 66.02 64.21 1bld s SER 96 CO 0.80 -0.37 0.56 -0.69 0.41 0.00 0.00 173.24 173.95 1bld s VAL 97 N -2.41 5.05 0.09 3.43 1.01 -1.26 -4.63 120.40 121.68 1bld s VAL 97 Ca 0.42 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.20 1bld s VAL 97 Cb -0.10 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1bld s VAL 97 CO 0.38 -0.41 0.20 0.42 0.00 0.00 0.00 175.10 175.69 1bld s THR 98 N -2.18 0.14 0.01 3.92 -4.23 -1.26 -5.00 115.64 107.04 1bld s THR 98 Ca 0.43 -1.15 0.28 0.00 -1.18 0.00 0.00 61.69 60.07 1bld s THR 98 Cb -0.10 -1.34 0.28 0.00 1.34 0.00 0.00 72.50 72.68 1bld s THR 98 CO 0.33 -0.63 1.85 -0.78 -0.54 0.00 0.00 174.62 174.85 1bld h ASP 99 N 2.73 0.00 -0.43 3.99 1.82 -2.00 0.23 116.42 122.75 1bld h ASP 99 Ca -0.34 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.30 1bld h ASP 99 Cb 1.20 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.21 1bld h ASP 99 CO 0.56 0.00 0.00 -0.62 -1.61 0.00 0.00 179.24 177.57 1bld n GLU 100 N -2.48 2.16 0.00 0.28 1.02 -1.26 -3.88 120.64 116.48 1bld n GLU 100 Ca -0.02 -1.78 0.12 0.00 -0.02 0.00 0.00 57.16 55.46 1bld n GLU 100 Cb 0.06 -1.42 0.26 0.00 -0.02 0.00 0.00 31.44 30.32 1bld n GLU 100 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bld s PHE 102 N -2.46 3.52 -0.19 0.00 0.40 -1.25 -4.32 117.98 113.68 1bld s PHE 102 Ca 0.23 0.49 -0.06 0.00 -0.60 0.00 0.00 56.93 57.00 1bld s PHE 102 Cb 0.19 -2.02 0.09 0.00 0.51 0.00 0.00 43.02 41.79 1bld s PHE 102 CO 0.52 0.00 0.38 -0.06 0.70 0.00 0.00 175.22 176.77 1bld s PHE 103 N -2.44 -0.72 0.55 0.36 0.40 -1.25 -3.65 117.98 111.23 1bld s PHE 103 Ca 0.42 1.35 -0.20 0.00 -0.60 0.00 0.00 56.93 57.89 1bld s PHE 103 Cb -0.10 0.21 -0.06 0.00 0.51 0.00 0.00 43.02 43.58 1bld s PHE 103 CO 0.39 -0.48 1.04 1.19 0.70 0.00 0.00 175.22 178.06 1bld n PHE 104 N 5.38 1.16 -3.88 0.36 3.72 -0.21 -3.82 117.46 120.17 1bld n PHE 104 Ca -0.08 0.46 -0.30 0.00 -0.05 0.00 0.00 57.45 57.48 1bld n PHE 104 Cb 0.50 -2.20 -0.15 0.00 -0.94 0.00 0.00 39.48 36.69 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 -2.59 1.24 -0.17 -1.08 2.12 -1.21 -2.00 118.70 115.02 1bld s GLU 105 Ca 0.72 -1.69 -0.15 0.00 0.36 0.00 0.00 54.97 54.20 1bld s GLU 105 Cb -0.45 -2.69 -0.04 0.00 0.26 0.00 0.00 34.13 31.21 1bld s GLU 105 CO 0.50 -1.00 0.36 0.50 -0.54 0.00 0.00 175.26 175.08 1bld s ARG 106 N 0.96 4.25 -0.25 4.30 3.52 -0.49 -4.92 118.95 126.32 1bld s ARG 106 Ca 0.12 0.20 -0.16 0.00 -0.13 0.00 0.00 55.73 55.76 1bld s ARG 106 Cb -0.20 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 1bld s ARG 106 CO -0.12 0.13 0.41 -1.17 -0.81 0.00 0.00 175.30 173.73 1bld s LEU 107 N 0.79 4.07 0.00 -0.88 2.96 -1.26 -0.69 118.68 123.67 1bld s LEU 107 Ca 0.19 0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 54.44 1bld s LEU 107 Cb -0.14 -2.50 0.11 0.00 0.50 0.00 0.00 46.19 44.17 1bld s LEU 107 CO 0.07 -0.17 0.71 -0.62 -1.32 0.00 0.00 176.35 175.01 1bld n GLU 108 N 5.13 -0.40 0.01 1.98 -0.58 -1.23 -4.99 120.64 120.56 1bld n GLU 108 Ca -0.08 -1.36 0.01 0.00 -0.42 0.00 0.00 57.16 55.32 1bld n GLU 108 Cb 0.51 -0.64 -0.10 0.00 -0.57 0.00 0.00 31.44 30.63 1bld n GLU 108 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1bld n SER 109 N -3.29 0.61 -0.41 1.62 2.88 -1.26 -3.93 113.62 109.84 1bld n SER 109 Ca 0.10 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1bld n SER 109 Cb 0.34 0.57 0.00 0.00 -0.75 0.00 0.00 64.21 64.37 1bld n SER 109 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1bld n ASN 110 N -2.76 0.58 -2.83 -3.46 0.23 -1.26 -4.81 115.26 100.96 1bld n ASN 110 Ca -0.11 -1.42 -0.06 0.00 -0.53 0.00 0.00 54.58 52.46 1bld n ASN 110 Cb 0.82 -0.29 0.03 0.00 -2.08 0.00 0.00 39.78 38.26 1bld n ASN 110 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1bld n ASN 111 N 0.03 -6.23 -0.89 0.53 4.13 -1.25 -5.05 115.26 106.54 1bld n ASN 111 Ca 0.00 -0.30 0.00 0.00 1.68 0.00 0.00 54.58 55.96 1bld n ASN 111 Cb 0.15 -4.39 0.00 0.00 -1.54 0.00 0.00 39.78 34.00 1bld n ASN 111 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1bld n TYR 112 N -2.23 -0.22 -3.53 3.10 4.01 -1.26 -4.94 117.16 112.09 1bld n TYR 112 Ca -0.03 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.56 1bld n TYR 112 Cb 0.55 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.45 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 -0.75 0.86 -0.40 7.72 0.01 -0.67 -3.57 114.94 118.15 1bld s ASN 113 Ca 0.00 0.12 -0.18 0.00 -0.71 0.00 0.00 52.86 52.08 1bld s ASN 113 Cb 0.00 0.60 0.01 0.00 0.41 0.00 0.00 41.25 42.27 1bld s ASN 113 CO 0.00 -0.29 0.51 0.42 -1.51 0.00 0.00 177.10 176.22 1bld s THR 114 N 2.39 5.00 -0.45 1.60 -4.23 0.14 -2.85 115.64 117.24 1bld s THR 114 Ca 0.06 -0.01 -0.19 0.00 -1.18 0.00 0.00 61.69 60.37 1bld s THR 114 Cb -0.14 -4.05 0.03 0.00 1.34 0.00 0.00 72.50 69.68 1bld s THR 114 CO -0.11 -0.39 0.55 -0.31 -0.54 0.00 0.00 174.62 173.81 1bld s TYR 115 N 2.38 3.11 0.08 3.99 2.02 -1.26 -1.40 117.35 126.26 1bld s TYR 115 Ca 0.17 -0.30 0.01 0.00 -0.37 0.00 0.00 57.07 56.57 1bld s TYR 115 Cb -0.16 -3.19 -0.04 0.00 -0.40 0.00 0.00 41.96 38.17 1bld s TYR 115 CO 0.15 -0.83 0.22 0.50 -1.57 0.00 0.00 175.55 174.01 1bld s ARG 116 N 2.47 3.41 1.12 -0.62 3.52 -0.85 -2.50 118.95 125.51 1bld s ARG 116 Ca 0.16 -0.48 -0.12 0.00 -0.13 0.00 0.00 55.73 55.16 1bld s ARG 116 Cb -0.17 -3.01 0.25 0.00 -1.56 0.00 0.00 34.95 30.47 1bld s ARG 116 CO 0.15 0.59 1.02 0.45 -0.81 0.00 0.00 175.30 176.71 1bld n SER 117 N 0.15 -1.28 -0.09 -2.12 2.88 -1.07 -1.04 113.62 111.05 1bld n SER 117 Ca -0.06 -0.03 -0.11 0.00 -1.33 0.00 0.00 58.87 57.35 1bld n SER 117 Cb 0.52 -1.31 -0.04 0.00 -0.75 0.00 0.00 64.21 62.63 1bld n SER 117 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1bld n ARG 118 N -4.75 0.51 -0.06 -1.46 3.00 -1.24 -4.20 116.66 108.46 1bld n ARG 118 Ca 0.05 0.37 -0.16 0.00 -0.00 0.00 0.00 57.85 58.11 1bld n ARG 118 Cb 0.54 -1.57 -0.13 0.00 0.00 0.00 0.00 32.46 31.30 1bld n ARG 118 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1bld h LYS 119 N -1.00 0.03 -2.66 -0.14 3.64 -1.87 -3.36 116.57 111.21 1bld h LYS 119 Ca -0.12 -0.06 -0.75 0.00 -1.27 0.00 0.00 60.65 58.45 1bld h LYS 119 Cb 0.92 0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 32.61 1bld h LYS 119 CO -0.07 1.03 2.16 0.66 -2.27 0.00 0.00 179.45 180.96 1bld n TYR 120 N -4.51 2.64 0.00 1.91 4.01 -1.26 -4.74 117.16 115.21 1bld n TYR 120 Ca -0.15 -2.78 0.00 0.00 -0.16 0.00 0.00 57.90 54.81 1bld n TYR 120 Cb 0.56 -1.75 0.00 0.00 -0.31 0.00 0.00 39.34 37.85 1bld n TYR 120 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1bld n THR 121 N 1.63 0.00 0.85 -0.72 -2.24 -1.26 -1.78 114.28 110.76 1bld n THR 121 Ca 0.57 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.41 1bld n THR 121 Cb 0.26 -0.74 0.15 0.00 -2.10 0.00 0.00 70.33 67.91 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 -0.66 1.94 -3.67 3.42 7.64 -1.26 -4.83 113.62 116.19 1bld n SER 122 Ca 0.00 -2.04 -0.10 0.00 1.01 0.00 0.00 58.87 57.73 1bld n SER 122 Cb 0.00 -0.26 -0.05 0.00 -1.01 0.00 0.00 64.21 62.89 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 -0.15 0.38 1.43 0.51 -0.73 -4.99 118.94 113.80 1bld s TRP 123 Ca 0.23 -0.15 0.06 0.00 -2.12 0.00 0.00 56.10 54.11 1bld s TRP 123 Cb 0.12 0.20 -0.07 0.00 -0.81 0.00 0.00 33.47 32.91 1bld s TRP 123 CO 0.15 -0.66 0.02 0.71 -0.51 0.00 0.00 176.95 176.66 1bld s TYR 124 N -3.66 2.31 -0.08 -1.98 1.51 -1.26 -2.60 117.35 111.59 1bld s TYR 124 Ca 0.02 -0.77 -0.17 0.00 -1.01 0.00 0.00 57.07 55.14 1bld s TYR 124 Cb 0.02 -1.58 -0.05 0.00 -0.11 0.00 0.00 41.96 40.24 1bld s TYR 124 CO -0.11 0.29 0.44 0.08 -1.11 0.00 0.00 175.55 175.14 1bld s VAL 125 N -2.93 5.13 0.35 0.71 1.01 -1.04 -4.78 120.40 118.85 1bld s VAL 125 Ca 0.35 0.89 -0.05 0.00 0.00 0.00 0.00 61.98 63.18 1bld s VAL 125 Cb 0.09 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1bld s VAL 125 CO 0.17 0.41 0.53 0.00 0.00 0.00 0.00 175.10 176.21 1bld s ALA 126 N 0.05 0.48 0.07 5.51 0.00 -1.26 -4.59 121.76 122.03 1bld s ALA 126 Ca 0.24 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 50.85 1bld s ALA 126 Cb -0.16 1.07 -0.04 0.00 0.00 0.00 0.00 23.12 24.00 1bld s ALA 126 CO 0.11 -0.83 -0.06 -0.51 0.00 0.00 0.00 175.76 174.48 1bld s LEU 127 N -3.20 2.45 0.00 0.00 1.43 -1.26 -3.65 118.68 114.45 1bld s LEU 127 Ca 0.28 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1bld s LEU 127 Cb -0.01 -0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.19 1bld s LEU 127 CO 0.18 -0.44 0.00 0.29 0.23 0.00 0.00 176.35 176.61 1bld n LYS 128 N 0.35 1.28 0.00 1.70 5.02 -1.10 -4.80 118.16 120.60 1bld n LYS 128 Ca -0.15 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.25 1bld n LYS 128 Cb 0.59 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.71 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 -0.66 0.01 0.00 1.97 1.85 -1.26 -3.84 116.66 114.73 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 -1.50 0.31 0.00 -1.05 0.00 0.00 32.46 30.21 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 -1.51 0.00 -0.33 8.89 5.66 -1.26 -4.91 114.28 120.82 1bld n THR 130 Ca 0.05 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1bld n THR 130 Cb 0.33 0.31 0.00 0.00 -1.55 0.00 0.00 70.33 69.43 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 1.43 0.82 3.99 1.09 0.00 -1.25 -4.98 105.19 106.28 1bld n GLY 131 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 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 2.19 -0.26 1.61 -1.52 -1.26 0.76 119.66 120.51 1bld s GLN 132 Ca 0.00 -1.03 -0.18 0.00 -1.95 0.00 0.00 55.36 52.21 1bld s GLN 132 Cb 0.00 -2.46 -0.03 0.00 -0.22 0.00 0.00 33.01 30.31 1bld s GLN 132 CO 0.00 -1.00 0.50 1.52 -0.25 0.00 0.00 175.29 176.07 1bld s TYR 133 N -2.88 3.27 0.24 0.91 1.13 -1.26 -2.71 117.35 116.05 1bld s TYR 133 Ca 0.61 0.63 -0.30 0.00 -1.41 0.00 0.00 57.07 56.60 1bld s TYR 133 Cb -0.08 -2.70 -0.09 0.00 -1.10 0.00 0.00 41.96 37.99 1bld s TYR 133 CO 0.41 -0.26 1.27 0.21 -2.51 0.00 0.00 175.55 174.66 1bld s LYS 134 N 2.23 4.43 0.16 -3.49 2.20 -1.24 -4.91 119.74 119.13 1bld s LYS 134 Ca 0.21 2.04 -0.32 0.00 -0.36 0.00 0.00 55.97 57.54 1bld s LYS 134 Cb -0.16 -3.17 -0.11 0.00 -1.51 0.00 0.00 37.83 32.88 1bld s LYS 134 CO 0.09 -0.16 1.79 -0.11 -0.36 0.00 0.00 175.35 176.60 1bld n LEU 135 N 2.04 4.03 0.01 5.43 7.94 -1.26 -4.76 117.00 130.43 1bld n LEU 135 Ca 0.04 1.02 0.00 0.00 -1.11 0.00 0.00 56.01 55.96 1bld n LEU 135 Cb 0.43 -1.56 0.02 0.00 0.53 0.00 0.00 43.42 42.84 1bld n LEU 135 CO 0.57 0.18 0.52 0.61 -1.11 0.00 0.00 177.39 178.17 1bld n GLY 136 N 4.11 -0.25 0.17 -3.96 0.00 -1.13 0.13 105.19 104.25 1bld n GLY 136 Ca 0.17 0.01 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 0.61 0.25 1.61 4.64 -1.86 -3.13 113.55 115.67 1bld h SER 137 Ca 0.00 -0.47 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1bld h SER 137 Cb 0.56 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1bld h SER 137 CO 0.00 1.27 -0.26 0.29 -0.87 0.00 0.00 176.83 177.26 1bld n LYS 138 N -3.78 0.80 -2.95 4.77 5.02 0.12 -4.86 118.16 117.27 1bld n LYS 138 Ca -0.07 -0.46 -0.40 0.00 -2.02 0.00 0.00 58.31 55.36 1bld n LYS 138 Cb 0.82 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 34.29 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 -2.52 4.42 0.00 -0.18 -4.23 -1.14 -5.01 115.64 106.98 1bld s THR 139 Ca 0.24 1.74 0.00 0.00 -1.18 0.00 0.00 61.69 62.49 1bld s THR 139 Cb 0.19 -4.16 0.00 0.00 1.34 0.00 0.00 72.50 69.87 1bld s THR 139 CO 0.52 0.48 0.00 0.61 -0.54 0.00 0.00 174.62 175.70 1bld n GLY 140 N 1.76 -1.00 3.56 3.99 0.00 -1.26 -4.37 105.19 107.87 1bld n GLY 140 Ca -0.04 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.16 0.00 1.61 0.04 -1.26 -3.63 135.00 129.60 1bld s PRO 141 Ca 0.00 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1bld s PRO 141 Cb 0.00 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.92 1bld s PRO 141 CO 0.00 -3.30 0.00 0.41 0.04 0.00 0.00 177.00 174.15 1bld n GLY 142 N 0.55 2.19 3.66 0.56 0.00 -1.26 -4.96 105.19 105.94 1bld n GLY 142 Ca 0.06 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 4.22 0.00 1.61 -1.52 -1.24 -4.83 119.66 117.90 1bld s GLN 143 Ca 0.00 1.95 0.05 0.00 -1.95 0.00 0.00 55.36 55.41 1bld s GLN 143 Cb 0.00 -3.83 0.28 0.00 -0.22 0.00 0.00 33.01 29.23 1bld s GLN 143 CO 0.00 -0.75 0.70 1.63 -0.25 0.00 0.00 175.29 176.62 1bld n LYS 144 N 6.65 0.18 0.00 2.91 5.02 -1.26 -2.86 118.16 128.80 1bld n LYS 144 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1bld n LYS 144 Cb 0.44 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 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 -0.92 1.27 0.36 7.82 0.00 -1.26 -0.28 120.51 127.50 1bld n ALA 145 Ca 0.04 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1bld n ALA 145 Cb 0.02 -1.00 0.21 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.23 0.47 -3.11 0.00 -5.35 -1.13 -4.21 119.36 104.79 1bld n ILE 146 Ca 0.00 -0.73 -0.43 0.00 -0.27 0.00 0.00 62.75 61.32 1bld n ILE 146 Cb 0.00 1.02 -0.07 0.00 -1.74 0.00 0.00 39.64 38.85 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 -1.53 4.52 0.30 7.28 1.43 0.62 -4.21 118.68 127.08 1bld s LEU 147 Ca 0.38 -0.36 0.09 0.00 -1.03 0.00 0.00 54.13 53.21 1bld s LEU 147 Cb 0.23 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 1bld s LEU 147 CO 0.32 -0.79 0.04 -0.36 0.23 0.00 0.00 176.35 175.79 1bld s PHE 148 N 2.82 2.68 -0.39 0.29 0.40 -1.13 -3.53 117.98 119.12 1bld s PHE 148 Ca 0.22 -0.29 0.08 0.00 -0.60 0.00 0.00 56.93 56.34 1bld s PHE 148 Cb -0.14 -1.36 0.24 0.00 0.51 0.00 0.00 43.02 42.27 1bld s PHE 148 CO 0.19 0.52 0.51 -0.11 0.70 0.00 0.00 175.22 177.03 1bld n LEU 149 N -0.98 0.09 -4.61 -0.37 7.94 -0.75 -1.66 117.00 116.67 1bld n LEU 149 Ca -0.05 -4.65 -0.43 0.00 -1.11 0.00 0.00 56.01 49.77 1bld n LEU 149 Cb 0.60 0.64 -0.03 0.00 0.53 0.00 0.00 43.42 45.16 1bld n LEU 149 CO 0.41 2.06 1.67 -2.84 -1.11 0.00 0.00 177.39 177.58 1bld s PRO 150 N -1.08 3.35 -0.60 1.96 0.02 -1.26 -3.59 135.00 133.81 1bld s PRO 150 Ca 0.35 1.84 -0.19 0.00 0.02 0.00 0.00 61.00 63.02 1bld s PRO 150 Cb 0.16 -4.26 0.10 0.00 0.02 0.00 0.00 34.50 30.52 1bld s PRO 150 CO -0.12 -1.84 0.72 -1.64 -0.33 0.00 0.00 177.00 173.79 1bld s MET 151 N 5.79 3.05 0.24 5.54 -1.94 -0.87 -4.77 119.30 126.34 1bld s MET 151 Ca 0.90 -1.31 -0.31 0.00 -1.71 0.00 0.00 55.69 53.26 1bld s MET 151 Cb -0.29 -4.27 -0.13 0.00 2.01 0.00 0.00 34.83 32.15 1bld s MET 151 CO 0.35 -1.56 1.53 0.45 -0.01 0.00 0.00 175.02 175.77 1bld n SER 152 N 6.40 3.26 -3.48 3.03 2.88 -1.26 -3.28 113.62 121.17 1bld n SER 152 Ca -0.09 1.12 -0.40 0.00 -1.33 0.00 0.00 58.87 58.18 1bld n SER 152 Cb 0.43 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 1bld n SER 152 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bld n ALA 153 N 2.49 6.60 -0.93 -1.46 0.00 -1.13 -4.82 120.51 121.26 1bld n ALA 153 Ca 0.12 -4.19 0.00 0.00 0.00 0.00 0.00 53.44 49.38 1bld n ALA 153 Cb 0.33 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.20 1bld n ALA 153 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1bld n LYS 154 N 1.17 0.00 0.00 0.00 5.02 -1.26 -4.81 118.16 118.28 1bld n LYS 154 Ca 0.58 0.16 0.15 0.00 -2.02 0.00 0.00 58.31 57.18 1bld n LYS 154 Cb 0.26 -1.03 0.79 0.00 -0.02 0.00 0.00 35.03 35.03 1bld n LYS 154 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33