#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bld s ALA 2 N 0.00 -2.22 0.06 -5.12 0.00 -1.26 -5.12 121.76 108.11 1bld s ALA 2 Ca 0.00 2.25 -0.30 0.00 0.00 0.00 0.00 51.96 53.91 1bld s ALA 2 Cb 0.00 -1.68 -0.09 0.00 0.00 0.00 0.00 23.12 21.35 1bld s ALA 2 CO 0.00 -0.44 1.94 -1.21 0.00 0.00 0.00 175.76 176.05 1bld s GLU 3 N 1.58 4.14 0.06 0.00 2.02 -1.26 -4.65 118.70 120.59 1bld s GLU 3 Ca -0.09 2.62 0.00 0.00 0.02 0.00 0.00 54.97 57.53 1bld s GLU 3 Cb -0.05 -4.00 0.00 0.00 0.10 0.00 0.00 34.13 30.19 1bld s GLU 3 CO -0.16 -0.93 0.00 0.41 0.02 0.00 0.00 175.26 174.60 1bld n GLY 4 N 4.47 -3.32 0.00 -1.39 0.00 -1.26 -4.91 105.19 98.78 1bld n GLY 4 Ca 0.19 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1bld n GLY 4 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1bld n GLU 5 N -0.32 0.00 -2.57 1.61 0.28 -1.26 -4.95 120.64 113.43 1bld n GLU 5 Ca 0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.76 1bld n GLU 5 Cb 0.00 0.00 0.12 0.00 1.43 0.00 0.00 31.44 32.99 1bld n GLU 5 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1bld s ILE 6 N 0.00 2.07 -0.42 3.84 1.01 -1.26 -4.93 121.20 121.51 1bld s ILE 6 Ca 0.00 -0.58 -0.28 0.00 0.00 0.00 0.00 60.65 59.79 1bld s ILE 6 Cb 0.00 -2.49 -0.08 0.00 0.01 0.00 0.00 42.46 39.90 1bld s ILE 6 CO 0.00 0.00 2.35 0.41 0.00 0.00 0.00 174.94 177.70 1bld n THR 7 N -2.90 0.08 0.00 2.92 -1.04 -1.26 -4.84 114.28 107.23 1bld n THR 7 Ca 0.16 -0.58 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 1bld n THR 7 Cb 0.61 -2.44 0.00 0.00 -1.82 0.00 0.00 70.33 66.67 1bld n THR 7 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1bld n THR 8 N 7.81 0.00 -3.31 12.58 -1.04 -1.26 -4.81 114.28 124.25 1bld n THR 8 Ca 0.37 0.27 -0.10 0.00 -2.04 0.00 0.00 64.05 62.56 1bld n THR 8 Cb 0.44 -0.68 0.01 0.00 -1.82 0.00 0.00 70.33 68.28 1bld n THR 8 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1bld n LEU 9 N -1.01 -5.17 -4.74 -4.42 7.94 -1.26 -4.91 117.00 103.43 1bld n LEU 9 Ca 0.00 -0.42 -0.36 0.00 -1.11 0.00 0.00 56.01 54.13 1bld n LEU 9 Cb 0.00 -2.81 0.06 0.00 0.53 0.00 0.00 43.42 41.20 1bld n LEU 9 CO 0.00 -0.53 0.84 -2.16 -1.11 0.00 0.00 177.39 174.43 1bld s PRO 10 N -3.84 2.61 0.00 1.96 0.05 -1.26 -5.00 135.00 129.53 1bld s PRO 10 Ca 0.07 1.85 0.00 0.00 0.05 0.00 0.00 61.00 62.98 1bld s PRO 10 Cb -0.02 -1.88 0.00 0.00 0.05 0.00 0.00 34.50 32.65 1bld s PRO 10 CO 0.80 -1.49 0.00 0.00 0.05 0.00 0.00 177.00 176.35 1bld n ALA 11 N -2.03 0.00 -3.71 8.56 0.00 -1.26 -5.02 120.51 117.05 1bld n ALA 11 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.35 1bld n ALA 11 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1bld n ALA 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bld n LEU 12 N 0.00 -2.39 -4.75 0.00 4.32 -1.26 -4.82 117.00 108.09 1bld n LEU 12 Ca 0.00 -0.85 -0.41 0.00 -0.02 0.00 0.00 56.01 54.73 1bld n LEU 12 Cb 0.00 -1.79 -0.02 0.00 -1.62 0.00 0.00 43.42 39.99 1bld n LEU 12 CO 0.00 0.22 1.10 -2.16 -1.22 0.00 0.00 177.39 175.33 1bld s PRO 13 N -4.67 4.26 -0.62 3.23 0.05 -1.26 -3.72 135.00 132.26 1bld s PRO 13 Ca 0.01 2.33 -0.15 0.00 0.05 0.00 0.00 61.00 63.24 1bld s PRO 13 Cb -0.00 -3.09 0.02 0.00 0.05 0.00 0.00 34.50 31.48 1bld s PRO 13 CO 0.88 -0.41 0.64 -1.91 0.05 0.00 0.00 177.00 176.25 1bld n GLU 14 N 1.94 -1.77 -2.69 4.56 4.07 -1.26 -4.79 120.64 120.69 1bld n GLU 14 Ca 0.05 1.34 -0.42 0.00 -0.06 0.00 0.00 57.16 58.08 1bld n GLU 14 Cb 0.40 -3.45 -0.02 0.00 -0.06 0.00 0.00 31.44 28.31 1bld n GLU 14 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 1bld s ASP 15 N -2.45 6.62 -0.39 4.31 1.47 -1.24 -4.63 116.67 120.35 1bld s ASP 15 Ca 0.16 -1.85 0.06 0.00 1.18 0.00 0.00 52.55 52.10 1bld s ASP 15 Cb -0.02 -2.51 0.30 0.00 -0.34 0.00 0.00 42.92 40.35 1bld s ASP 15 CO 0.84 -1.29 1.23 0.61 0.68 0.00 0.00 175.17 177.25 1bld n GLY 16 N 6.12 0.11 3.87 2.12 0.00 -1.26 -5.14 105.19 111.01 1bld n GLY 16 Ca 0.33 0.17 -0.31 0.00 0.00 0.00 0.00 46.02 46.21 1bld n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bld s GLY 17 N -0.86 2.07 -0.40 -0.02 0.00 -1.26 -5.01 107.32 101.84 1bld s GLY 17 Ca 0.19 -0.17 0.07 0.00 0.00 0.00 0.00 44.72 44.81 1bld s GLY 17 CO -0.09 0.01 1.27 -1.14 0.00 0.00 0.00 173.10 173.15 1bld n SER 18 N -0.93 -1.85 0.00 1.64 3.41 -1.26 -5.04 113.62 109.60 1bld n SER 18 Ca 0.02 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 1bld n SER 18 Cb 0.54 1.19 0.00 0.00 -0.26 0.00 0.00 64.21 65.67 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 -0.37 0.58 0.00 5.00 0.00 -1.26 -5.06 105.19 104.08 1bld n GLY 19 Ca -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -2.96 4.61 0.00 -1.26 -5.09 120.51 115.81 1bld n ALA 20 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1bld n ALA 20 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1bld n ALA 20 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1bld n PHE 21 N 0.00 -1.81 -0.77 0.00 -1.74 -1.26 -5.00 117.46 106.89 1bld n PHE 21 Ca 0.00 -2.69 -0.29 0.00 -0.56 0.00 0.00 57.45 53.91 1bld n PHE 21 Cb 0.00 0.65 0.22 0.00 1.52 0.00 0.00 39.48 41.87 1bld n PHE 21 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1bld s PRO 22 N -0.39 -0.29 0.85 3.97 0.05 -1.26 -4.96 135.00 132.97 1bld s PRO 22 Ca 0.33 0.81 -0.13 0.00 0.05 0.00 0.00 61.00 62.06 1bld s PRO 22 Cb 0.23 -1.63 0.07 0.00 0.05 0.00 0.00 34.50 33.22 1bld s PRO 22 CO -0.15 -3.29 0.95 -2.30 0.05 0.00 0.00 177.00 172.26 1bld n PRO 23 N -4.61 -0.03 0.00 0.56 -0.01 -1.26 -4.92 135.00 124.73 1bld n PRO 23 Ca 0.04 0.06 0.00 0.00 -0.01 0.00 0.00 63.50 63.60 1bld n PRO 23 Cb 0.55 -2.24 0.00 0.00 -0.01 0.00 0.00 33.50 31.80 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 0.81 -0.32 2.23 -1.23 0.00 -1.26 -4.97 105.19 100.45 1bld n GLY 24 Ca 0.11 0.59 -0.26 0.00 0.00 0.00 0.00 46.02 46.46 1bld n GLY 24 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bld n HIS 25 N 0.00 2.13 0.86 1.61 1.44 -1.26 -4.57 115.22 115.43 1bld n HIS 25 Ca 0.00 -2.27 0.00 0.00 -2.01 0.00 0.00 57.72 53.44 1bld n HIS 25 Cb 0.00 -1.20 0.00 0.00 0.12 0.00 0.00 29.99 28.91 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 0.05 0.00 0.33 -1.40 3.01 -1.26 -3.21 117.46 114.97 1bld n PHE 26 Ca 0.45 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.99 1bld n PHE 26 Cb 0.56 -0.06 0.23 0.00 -0.01 0.00 0.00 39.48 40.20 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 0.03 2.25 -4.30 -1.08 4.81 -1.26 -4.59 118.16 114.01 1bld n LYS 27 Ca 0.00 -1.88 -0.30 0.00 -0.87 0.00 0.00 58.31 55.27 1bld n LYS 27 Cb 0.16 -1.42 -0.11 0.00 0.02 0.00 0.00 35.03 33.68 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 -0.99 4.09 1.10 3.14 1.11 -1.20 -5.05 116.67 118.88 1bld s ASP 28 Ca 0.35 -0.48 -0.12 0.00 0.18 0.00 0.00 52.55 52.48 1bld s ASP 28 Cb 0.18 -0.67 0.24 0.00 1.07 0.00 0.00 42.92 43.74 1bld s ASP 28 CO 0.23 0.19 0.99 -0.81 1.18 0.00 0.00 175.17 176.94 1bld n PRO 29 N 0.83 -1.87 -3.73 8.23 -0.04 -1.26 -4.53 135.00 132.63 1bld n PRO 29 Ca -0.15 -0.51 -0.14 0.00 -0.04 0.00 0.00 63.50 62.66 1bld n PRO 29 Cb 0.52 -2.19 -0.15 0.00 -0.04 0.00 0.00 33.50 31.64 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 -4.40 0.08 -0.15 0.54 1.02 -0.78 -1.72 119.74 114.33 1bld s LYS 30 Ca 0.67 0.43 -0.25 0.00 0.02 0.00 0.00 55.97 56.84 1bld s LYS 30 Cb -0.24 -0.20 -0.02 0.00 -0.52 0.00 0.00 37.83 36.84 1bld s LYS 30 CO 0.63 -0.20 0.80 1.03 -0.92 0.00 0.00 175.35 176.69 1bld s ARG 31 N 1.48 4.32 -0.51 1.68 0.52 -0.13 -3.95 118.95 122.36 1bld s ARG 31 Ca -0.06 0.98 -0.18 0.00 -0.52 0.00 0.00 55.73 55.95 1bld s ARG 31 Cb -0.12 -3.55 0.07 0.00 0.52 0.00 0.00 34.95 31.86 1bld s ARG 31 CO -0.06 -0.26 0.58 -0.51 0.02 0.00 0.00 175.30 175.07 1bld s LEU 32 N 1.92 5.15 -0.22 2.53 1.43 -1.26 -0.81 118.68 127.42 1bld s LEU 32 Ca 0.38 -1.05 -0.11 0.00 -1.03 0.00 0.00 54.13 52.31 1bld s LEU 32 Cb -0.17 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.63 1bld s LEU 32 CO 0.13 -0.86 0.19 -0.47 0.23 0.00 0.00 176.35 175.57 1bld s TYR 33 N 2.42 3.36 -0.08 0.29 5.04 -1.20 -2.00 117.35 125.17 1bld s TYR 33 Ca 0.12 0.32 -0.20 0.00 -2.44 0.00 0.00 57.07 54.87 1bld s TYR 33 Cb -0.21 -2.28 -0.04 0.00 0.35 0.00 0.00 41.96 39.78 1bld s TYR 33 CO 0.10 0.13 0.58 0.00 -1.34 0.00 0.00 175.55 175.02 1bld h LYS 35 N 6.58 0.00 -5.61 0.00 3.11 -1.86 -2.64 116.57 116.15 1bld h LYS 35 Ca -0.42 0.00 -0.63 0.00 -2.81 0.00 0.00 60.65 56.80 1bld h LYS 35 Cb 1.19 0.00 -0.14 0.00 -1.00 0.00 0.00 32.23 32.28 1bld h LYS 35 CO 0.75 0.00 0.46 -0.80 -2.81 0.00 0.00 179.45 177.04 1bld s ASN 36 N -4.82 6.29 0.00 4.20 0.02 -1.26 -3.74 114.94 115.62 1bld s ASN 36 Ca 0.10 -0.57 0.00 0.00 -1.02 0.00 0.00 52.86 51.37 1bld s ASN 36 Cb 0.11 -2.40 0.00 0.00 0.02 0.00 0.00 41.25 38.98 1bld s ASN 36 CO 0.61 -1.19 0.00 0.61 0.02 0.00 0.00 177.10 177.14 1bld n GLY 37 N 5.16 0.74 2.99 0.66 0.00 -1.26 -4.38 105.19 109.10 1bld n GLY 37 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.45 -1.95 3.02 -0.02 0.00 -1.19 -5.00 105.19 97.60 1bld n GLY 38 Ca 0.00 0.43 -0.13 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.47 -0.26 -0.26 1.61 0.08 -1.00 -4.53 117.98 112.15 1bld s PHE 39 Ca 0.06 0.64 -0.16 0.00 0.12 0.00 0.00 56.93 57.59 1bld s PHE 39 Cb -0.01 0.01 -0.03 0.00 -0.57 0.00 0.00 43.02 42.42 1bld s PHE 39 CO 0.49 -0.19 0.41 -0.06 -0.10 0.00 0.00 175.22 175.77 1bld s PHE 40 N 0.99 3.27 0.34 0.36 0.40 0.10 0.08 117.98 123.52 1bld s PHE 40 Ca -0.07 0.49 -0.25 0.00 -0.60 0.00 0.00 56.93 56.49 1bld s PHE 40 Cb -0.09 -2.60 -0.13 0.00 0.51 0.00 0.00 43.02 40.71 1bld s PHE 40 CO -0.06 -0.21 0.76 -0.11 0.70 0.00 0.00 175.22 176.30 1bld n LEU 41 N 5.27 0.78 -3.51 -0.37 7.94 -0.85 -1.82 117.00 124.44 1bld n LEU 41 Ca -0.07 1.05 -0.10 0.00 -1.11 0.00 0.00 56.01 55.77 1bld n LEU 41 Cb 0.51 -1.18 -0.10 0.00 0.53 0.00 0.00 43.42 43.18 1bld n LEU 41 CO 0.38 -2.20 -0.06 -0.60 -1.11 0.00 0.00 177.39 173.81 1bld s ARG 42 N -1.55 0.29 -0.31 1.96 3.52 -0.29 -4.64 118.95 117.95 1bld s ARG 42 Ca 0.62 0.70 -0.21 0.00 -0.13 0.00 0.00 55.73 56.71 1bld s ARG 42 Cb -0.68 -0.22 -0.01 0.00 -1.56 0.00 0.00 34.95 32.49 1bld s ARG 42 CO 0.58 -0.46 0.64 0.42 -0.81 0.00 0.00 175.30 175.67 1bld s ILE 43 N 2.53 4.92 0.44 4.11 1.01 -1.26 -2.12 121.20 130.83 1bld s ILE 43 Ca 0.06 0.88 -0.21 0.00 0.00 0.00 0.00 60.65 61.38 1bld s ILE 43 Cb -0.14 -4.01 -0.11 0.00 0.01 0.00 0.00 42.46 38.21 1bld s ILE 43 CO -0.13 -0.15 0.96 -1.00 0.00 0.00 0.00 174.94 174.61 1bld s HIS 44 N 2.64 3.30 0.61 3.97 3.76 -0.99 -4.77 115.29 123.82 1bld s HIS 44 Ca 0.26 1.60 0.32 0.00 -0.15 0.00 0.00 55.06 57.09 1bld s HIS 44 Cb -0.15 -2.86 1.82 0.00 1.11 0.00 0.00 32.58 32.50 1bld s HIS 44 CO 0.12 -0.16 2.16 -1.00 -0.85 0.00 0.00 174.74 175.00 1bld h PRO 45 N 1.84 0.00 0.00 8.40 0.13 -1.92 0.25 132.00 140.70 1bld h PRO 45 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 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 0.61 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.98 1bld n ASP 46 N -3.58 0.00 0.00 1.44 5.68 -1.26 -4.85 116.55 113.98 1bld n ASP 46 Ca -0.00 -0.44 0.00 0.00 -0.50 0.00 0.00 54.79 53.85 1bld n ASP 46 Cb 0.24 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 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 0.56 2.78 3.64 6.12 0.00 0.89 -4.93 105.19 114.27 1bld n GLY 47 Ca 0.15 -0.09 -0.46 0.00 0.00 0.00 0.00 46.02 45.62 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 2.24 -3.55 1.61 1.74 -1.26 -3.05 116.66 114.40 1bld n ARG 48 Ca 0.00 0.79 -0.38 0.00 -0.77 0.00 0.00 57.85 57.49 1bld n ARG 48 Cb 0.00 -2.82 -0.06 0.00 -1.02 0.00 0.00 32.46 28.56 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 5.11 5.08 -0.05 1.55 1.01 -1.26 -2.34 120.40 129.50 1bld s VAL 49 Ca 0.94 0.76 -0.29 0.00 0.00 0.00 0.00 61.98 63.40 1bld s VAL 49 Cb -0.58 -3.67 0.09 0.00 0.00 0.00 0.00 36.38 32.22 1bld s VAL 49 CO 0.47 0.58 0.81 1.51 0.00 0.00 0.00 175.10 178.46 1bld s ASP 50 N -1.08 -0.50 0.38 3.32 1.47 -0.90 -4.55 116.67 114.81 1bld s ASP 50 Ca 0.23 0.38 -0.00 0.00 1.18 0.00 0.00 52.55 54.34 1bld s ASP 50 Cb -0.16 0.44 -0.03 0.00 -0.34 0.00 0.00 42.92 42.83 1bld s ASP 50 CO 0.12 -0.58 0.60 -0.83 0.68 0.00 0.00 175.17 175.17 1bld s GLY 51 N -1.62 1.39 -0.01 2.12 0.00 -0.91 -1.13 107.32 107.15 1bld s GLY 51 Ca -0.03 -0.86 -0.11 0.00 0.00 0.00 0.00 44.72 43.72 1bld s GLY 51 CO 0.01 -0.77 0.21 -1.34 0.00 0.00 0.00 173.10 171.21 1bld s VAL 52 N -2.41 0.07 -2.02 1.40 -7.23 -0.76 -4.60 120.40 104.85 1bld s VAL 52 Ca 0.42 -0.58 0.18 0.00 -1.81 0.00 0.00 61.98 60.18 1bld s VAL 52 Cb -0.10 -0.51 0.49 0.00 0.56 0.00 0.00 36.38 36.82 1bld s VAL 52 CO 0.38 -0.32 1.65 0.54 -0.31 0.00 0.00 175.10 177.04 1bld n ARG 53 N 1.40 1.06 -2.87 4.82 1.74 -1.26 -0.72 116.66 120.83 1bld n ARG 53 Ca -0.22 -0.09 -0.43 0.00 -0.77 0.00 0.00 57.85 56.34 1bld n ARG 53 Cb 0.56 -1.28 -0.03 0.00 -1.02 0.00 0.00 32.46 30.69 1bld n ARG 53 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1bld s GLU 54 N -1.98 3.52 0.00 5.56 2.12 -1.26 -4.88 118.70 121.78 1bld s GLU 54 Ca 0.26 -1.53 -0.05 0.00 0.36 0.00 0.00 54.97 54.02 1bld s GLU 54 Cb 0.12 -4.87 -0.21 0.00 0.26 0.00 0.00 34.13 29.43 1bld s GLU 54 CO 0.20 -1.84 3.12 0.36 -0.54 0.00 0.00 175.26 176.56 1bld n LYS 55 N 7.04 1.68 -0.41 4.30 2.85 -1.26 -3.10 118.16 129.26 1bld n LYS 55 Ca 0.21 -0.79 -0.00 0.00 -1.05 0.00 0.00 58.31 56.68 1bld n LYS 55 Cb 0.49 -1.84 -0.00 0.00 -0.65 0.00 0.00 35.03 33.03 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 2.44 -0.00 -4.76 -5.58 3.41 -1.26 -4.17 113.62 103.69 1bld n SER 56 Ca 0.34 -0.83 -0.39 0.00 -0.26 0.00 0.00 58.87 57.73 1bld n SER 56 Cb 0.78 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.67 1bld n SER 56 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bld s ASP 57 N -0.00 7.38 0.00 4.04 1.01 -1.18 -4.83 116.67 123.09 1bld s ASP 57 Ca 0.00 2.04 0.00 0.00 0.71 0.00 0.00 52.55 55.30 1bld s ASP 57 Cb 0.00 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1bld s ASP 57 CO 0.00 -0.04 0.16 -0.81 0.21 0.00 0.00 175.17 174.68 1bld n PRO 58 N 1.08 0.24 0.00 8.23 -0.04 -1.26 -1.69 135.00 141.56 1bld n PRO 58 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1bld n PRO 58 Cb 0.47 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 1bld n PRO 58 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1bld n HIS 59 N 0.52 0.00 1.01 0.54 8.25 -1.26 -4.71 115.22 119.57 1bld n HIS 59 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.55 1bld n HIS 59 Cb 0.08 0.00 0.51 0.00 1.12 0.00 0.00 29.99 31.70 1bld n HIS 59 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1bld n ILE 60 N -0.37 0.27 -2.83 1.59 -5.35 -0.68 -4.37 119.36 107.62 1bld n ILE 60 Ca 0.00 0.07 -0.43 0.00 -0.27 0.00 0.00 62.75 62.12 1bld n ILE 60 Cb 0.00 -0.76 -0.02 0.00 -1.74 0.00 0.00 39.64 37.12 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 -2.36 3.75 -0.02 6.28 1.02 -1.26 -4.55 119.74 122.61 1bld s LYS 61 Ca 0.22 -1.87 -0.19 0.00 0.02 0.00 0.00 55.97 54.15 1bld s LYS 61 Cb 0.13 -5.09 -0.05 0.00 -0.52 0.00 0.00 37.83 32.30 1bld s LYS 61 CO 0.26 -1.90 0.55 -0.51 -0.92 0.00 0.00 175.35 172.83 1bld s LEU 62 N 2.97 4.40 -0.42 3.17 1.43 -1.25 -3.63 118.68 125.35 1bld s LEU 62 Ca 0.39 1.08 -0.19 0.00 -1.03 0.00 0.00 54.13 54.38 1bld s LEU 62 Cb -0.03 -2.83 0.02 0.00 0.03 0.00 0.00 46.19 43.38 1bld s LEU 62 CO -0.06 0.12 0.56 -1.58 0.23 0.00 0.00 176.35 175.63 1bld s GLN 63 N -0.21 3.25 0.21 1.70 -0.44 0.13 -1.86 119.66 122.44 1bld s GLN 63 Ca 0.29 -0.48 -0.09 0.00 -2.50 0.00 0.00 55.36 52.58 1bld s GLN 63 Cb -0.17 -3.94 -0.07 0.00 -1.64 0.00 0.00 33.01 27.18 1bld s GLN 63 CO 0.15 -0.92 0.52 -0.51 0.50 0.00 0.00 175.29 175.03 1bld s LEU 64 N 2.56 4.20 -0.06 3.68 1.02 -1.26 -1.09 118.68 127.72 1bld s LEU 64 Ca 0.19 0.87 -0.04 0.00 0.02 0.00 0.00 54.13 55.17 1bld s LEU 64 Cb -0.15 -3.58 0.02 0.00 0.02 0.00 0.00 46.19 42.50 1bld s LEU 64 CO 0.17 -0.03 0.15 -1.58 0.02 0.00 0.00 176.35 175.08 1bld s GLN 65 N -2.71 0.15 -0.19 1.70 0.74 0.83 -4.73 119.66 115.45 1bld s GLN 65 Ca 0.45 0.27 -0.24 0.00 0.05 0.00 0.00 55.36 55.90 1bld s GLN 65 Cb -0.12 -0.01 -0.02 0.00 1.10 0.00 0.00 33.01 33.97 1bld s GLN 65 CO 0.21 -0.07 0.78 0.00 -0.55 0.00 0.00 175.29 175.66 1bld s ALA 66 N 0.47 3.54 -0.09 1.58 0.00 -1.26 -0.13 121.76 125.87 1bld s ALA 66 Ca -0.03 -0.07 0.14 0.00 0.00 0.00 0.00 51.96 52.00 1bld s ALA 66 Cb -0.05 -3.17 -0.24 0.00 0.00 0.00 0.00 23.12 19.67 1bld s ALA 66 CO -0.02 -0.66 0.48 -1.91 0.00 0.00 0.00 175.76 173.65 1bld n GLU 67 N 5.27 0.65 0.00 0.00 0.00 -0.95 -4.94 120.64 120.67 1bld n GLU 67 Ca 0.03 0.21 0.00 0.00 0.00 0.00 0.00 57.16 57.40 1bld n GLU 67 Cb 0.49 -1.71 0.00 0.00 0.00 0.00 0.00 31.44 30.22 1bld n GLU 67 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1bld n GLU 68 N -2.96 0.00 -3.07 5.31 2.13 -1.13 -5.05 120.64 115.87 1bld n GLU 68 Ca -0.22 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.19 1bld n GLU 68 Cb 1.08 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.73 1bld n GLU 68 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1bld s ARG 69 N 1.01 4.01 0.00 5.31 1.70 -1.26 -3.68 118.95 126.04 1bld s ARG 69 Ca 0.00 0.48 0.00 0.00 -0.47 0.00 0.00 55.73 55.74 1bld s ARG 69 Cb 0.00 -3.69 0.00 0.00 -0.57 0.00 0.00 34.95 30.69 1bld s ARG 69 CO 0.00 -0.52 0.00 0.41 -1.08 0.00 0.00 175.30 174.11 1bld n GLY 70 N 4.25 0.40 2.71 3.88 0.00 -1.26 -5.01 105.19 110.17 1bld n GLY 70 Ca 0.00 -1.06 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.00 -0.33 0.64 1.61 1.01 -1.24 -4.60 120.40 115.49 1bld s VAL 71 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1bld s VAL 71 Cb 0.00 -0.98 0.09 0.00 0.00 0.00 0.00 36.38 35.49 1bld s VAL 71 CO 0.00 -0.53 0.89 0.68 0.00 0.00 0.00 175.10 176.14 1bld s VAL 72 N 2.26 2.34 -0.11 2.92 -7.23 -1.25 -2.23 120.40 117.09 1bld s VAL 72 Ca 0.10 -0.66 -0.04 0.00 -1.81 0.00 0.00 61.98 59.57 1bld s VAL 72 Cb -0.14 -2.68 0.06 0.00 0.56 0.00 0.00 36.38 34.17 1bld s VAL 72 CO -0.32 0.00 0.22 -0.44 -0.31 0.00 0.00 175.10 174.25 1bld s SER 73 N -4.61 0.54 0.17 4.85 0.01 0.82 -3.56 113.70 111.91 1bld s SER 73 Ca 0.62 0.47 -0.11 0.00 1.31 0.00 0.00 55.95 58.25 1bld s SER 73 Cb -0.07 0.53 -0.07 0.00 0.21 0.00 0.00 66.02 66.62 1bld s SER 73 CO 0.41 -0.24 0.51 -0.63 0.41 0.00 0.00 173.24 173.70 1bld s ILE 74 N 2.37 4.96 -0.11 1.44 1.01 -1.26 -0.12 121.20 129.49 1bld s ILE 74 Ca 0.02 0.54 -0.06 0.00 0.00 0.00 0.00 60.65 61.15 1bld s ILE 74 Cb -0.12 -3.66 0.04 0.00 0.01 0.00 0.00 42.46 38.73 1bld s ILE 74 CO -0.08 0.10 0.26 -0.75 0.00 0.00 0.00 174.94 174.47 1bld s LYS 75 N -2.38 0.24 0.09 2.79 2.20 -0.25 -4.23 119.74 118.20 1bld s LYS 75 Ca 0.41 0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 56.24 1bld s LYS 75 Cb -0.13 -0.06 -0.05 0.00 -1.51 0.00 0.00 37.83 36.07 1bld s LYS 75 CO 0.20 -0.14 1.04 0.20 -0.36 0.00 0.00 175.35 176.30 1bld s GLY 76 N 1.05 2.84 0.00 5.54 0.00 -0.82 0.21 107.32 116.13 1bld s GLY 76 Ca -0.07 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.32 1bld s GLY 76 CO -0.07 1.67 0.13 -0.62 0.00 0.00 0.00 173.10 174.21 1bld n VAL 77 N 3.18 0.00 -0.15 1.40 0.31 -1.24 -0.82 118.33 121.00 1bld n VAL 77 Ca 0.05 0.32 -0.03 0.00 -0.01 0.00 0.00 64.34 64.67 1bld n VAL 77 Cb 0.48 -0.69 0.06 0.00 -0.91 0.00 0.00 33.84 32.78 1bld n VAL 77 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1bld h SER 78 N 0.00 0.00 -0.03 4.52 0.87 -1.84 0.13 113.55 117.20 1bld h SER 78 Ca 0.00 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1bld h SER 78 Cb 0.00 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1bld h SER 78 CO 0.00 0.03 0.01 0.00 -0.53 0.00 0.00 176.83 176.34 1bld h ALA 79 N 1.37 1.89 -6.33 6.23 0.00 -1.86 -3.46 119.26 117.10 1bld h ALA 79 Ca 0.24 -0.04 -0.47 0.00 0.00 0.00 0.00 54.91 54.64 1bld h ALA 79 Cb 0.31 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1bld h ALA 79 CO -0.31 0.09 -0.83 0.09 0.00 0.00 0.00 179.25 178.29 1bld n ASN 80 N -4.49 -2.09 -3.98 0.00 3.02 0.46 -4.95 115.26 103.23 1bld n ASN 80 Ca -0.02 -0.88 -0.15 0.00 -0.03 0.00 0.00 54.58 53.50 1bld n ASN 80 Cb 0.12 -3.58 -0.14 0.00 -0.61 0.00 0.00 39.78 35.57 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 -6.41 0.44 -0.32 3.52 0.52 -1.23 -4.68 118.95 110.78 1bld s ARG 81 Ca 0.25 -0.33 -0.21 0.00 -0.52 0.00 0.00 55.73 54.92 1bld s ARG 81 Cb -0.13 -0.37 -0.00 0.00 0.52 0.00 0.00 34.95 34.97 1bld s ARG 81 CO 0.85 0.09 0.66 0.71 0.02 0.00 0.00 175.30 177.63 1bld s TYR 82 N -0.45 3.19 0.57 -0.53 1.51 0.13 -1.95 117.35 119.82 1bld s TYR 82 Ca -0.01 0.54 -0.18 0.00 -1.01 0.00 0.00 57.07 56.40 1bld s TYR 82 Cb -0.04 -3.08 -0.08 0.00 -0.11 0.00 0.00 41.96 38.65 1bld s TYR 82 CO -0.00 -0.54 0.65 -0.11 -1.11 0.00 0.00 175.55 174.44 1bld n LEU 83 N 5.99 1.57 -3.70 -1.29 7.94 -1.26 -2.31 117.00 123.95 1bld n LEU 83 Ca -0.00 0.76 -0.11 0.00 -1.11 0.00 0.00 56.01 55.55 1bld n LEU 83 Cb 0.49 -1.23 -0.11 0.00 0.53 0.00 0.00 43.42 43.09 1bld n LEU 83 CO 0.48 -2.70 -0.00 0.00 -1.11 0.00 0.00 177.39 174.05 1bld s ALA 84 N -1.65 -0.92 -0.04 1.96 0.00 -0.35 -4.15 121.76 116.61 1bld s ALA 84 Ca 0.71 1.37 -0.14 0.00 0.00 0.00 0.00 51.96 53.90 1bld s ALA 84 Cb -0.44 -0.91 -0.05 0.00 0.00 0.00 0.00 23.12 21.71 1bld s ALA 84 CO 0.52 -0.32 0.37 1.41 0.00 0.00 0.00 175.76 177.74 1bld s MET 85 N 1.56 3.94 0.68 0.00 1.75 -1.14 -2.11 119.30 123.98 1bld s MET 85 Ca -0.08 0.33 -0.08 0.00 -1.25 0.00 0.00 55.69 54.60 1bld s MET 85 Cb -0.09 -3.26 0.03 0.00 2.84 0.00 0.00 34.83 34.35 1bld s MET 85 CO -0.12 0.61 1.02 0.15 -0.65 0.00 0.00 175.02 176.04 1bld s LYS 86 N -0.77 2.57 0.49 4.11 -0.14 -0.89 -4.89 119.74 120.22 1bld s LYS 86 Ca 0.22 0.07 0.28 0.00 -1.36 0.00 0.00 55.97 55.18 1bld s LYS 86 Cb -0.16 -2.13 0.90 0.00 -1.68 0.00 0.00 37.83 34.76 1bld s LYS 86 CO 0.11 -1.07 1.81 1.05 -0.76 0.00 0.00 175.35 176.50 1bld h GLU 87 N -0.55 0.00 0.08 1.68 4.11 -1.98 -3.24 114.58 114.68 1bld h GLU 87 Ca -0.45 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 58.72 1bld h GLU 87 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1bld h GLU 87 CO 0.62 0.04 -1.35 0.38 0.07 0.00 0.00 179.01 178.77 1bld h ASP 88 N 0.00 0.27 0.00 3.06 3.04 -1.99 -3.49 116.42 117.32 1bld h ASP 88 Ca -0.00 -0.79 0.00 0.00 -3.24 0.00 0.00 57.03 53.00 1bld h ASP 88 Cb 0.75 -0.09 0.00 0.00 -1.04 0.00 0.00 39.33 38.95 1bld h ASP 88 CO 0.01 1.58 0.00 0.61 -2.04 0.00 0.00 179.24 179.39 1bld n GLY 89 N 1.69 0.33 3.67 7.15 0.00 -1.22 -3.45 105.19 113.36 1bld n GLY 89 Ca -0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 4.22 -0.12 1.61 0.52 -1.26 -2.70 118.95 121.22 1bld s ARG 90 Ca 0.00 2.08 -0.19 0.00 -0.52 0.00 0.00 55.73 57.10 1bld s ARG 90 Cb 0.00 -3.80 -0.04 0.00 0.52 0.00 0.00 34.95 31.63 1bld s ARG 90 CO 0.00 -0.74 0.52 -0.51 0.02 0.00 0.00 175.30 174.59 1bld s LEU 91 N 3.36 4.27 0.00 2.53 1.02 -1.26 -2.10 118.68 126.50 1bld s LEU 91 Ca 0.69 0.87 -0.11 0.00 0.02 0.00 0.00 54.13 55.59 1bld s LEU 91 Cb -0.32 -2.77 0.01 0.00 0.02 0.00 0.00 46.19 43.14 1bld s LEU 91 CO 0.27 -0.03 0.23 -1.48 0.02 0.00 0.00 176.35 175.36 1bld s LEU 92 N 0.74 1.17 0.19 1.79 0.05 -0.90 -4.48 118.68 117.24 1bld s LEU 92 Ca 0.28 -0.09 0.04 0.00 0.05 0.00 0.00 54.13 54.41 1bld s LEU 92 Cb -0.16 1.03 -0.03 0.00 -2.05 0.00 0.00 46.19 44.98 1bld s LEU 92 CO 0.12 -0.45 0.29 0.00 -0.55 0.00 0.00 176.35 175.76 1bld s ALA 93 N -1.59 3.87 -0.06 1.48 0.00 -1.17 -1.21 121.76 123.08 1bld s ALA 93 Ca -0.12 -1.16 -0.14 0.00 0.00 0.00 0.00 51.96 50.53 1bld s ALA 93 Cb -0.05 -1.67 0.03 0.00 0.00 0.00 0.00 23.12 21.43 1bld s ALA 93 CO 0.02 0.39 0.33 -1.54 0.00 0.00 0.00 175.76 174.97 1bld s SER 94 N -3.56 -0.27 0.51 0.00 1.04 -0.98 -4.83 113.70 105.61 1bld s SER 94 Ca 0.34 0.33 0.30 0.00 0.48 0.00 0.00 55.95 57.40 1bld s SER 94 Cb -0.10 0.47 1.17 0.00 0.10 0.00 0.00 66.02 67.66 1bld s SER 94 CO 0.28 -0.33 1.92 0.11 0.98 0.00 0.00 173.24 176.20 1bld h LYS 95 N 4.50 0.00 -6.55 4.02 1.57 -1.86 0.37 116.57 118.62 1bld h LYS 95 Ca -0.28 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.98 1bld h LYS 95 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 1bld h LYS 95 CO 0.36 0.08 -0.05 0.45 -0.57 0.00 0.00 179.45 179.71 1bld s SER 96 N -5.90 6.60 0.28 0.86 0.15 -1.26 -4.65 113.70 109.78 1bld s SER 96 Ca 0.01 0.96 -0.11 0.00 0.70 0.00 0.00 55.95 57.52 1bld s SER 96 Cb 0.09 -2.25 -0.07 0.00 -1.71 0.00 0.00 66.02 62.08 1bld s SER 96 CO 0.58 -0.16 0.62 -0.69 1.20 0.00 0.00 173.24 174.79 1bld s VAL 97 N -1.97 4.86 0.12 4.45 1.01 -1.26 -4.64 120.40 122.96 1bld s VAL 97 Ca 0.48 0.57 -0.09 0.00 0.00 0.00 0.00 61.98 62.94 1bld s VAL 97 Cb -0.11 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 1bld s VAL 97 CO 0.24 -0.18 0.23 0.42 0.00 0.00 0.00 175.10 175.81 1bld s THR 98 N -1.95 0.11 -0.78 3.92 -4.23 -1.26 -5.00 115.64 106.45 1bld s THR 98 Ca 0.49 -1.24 0.11 0.00 -1.18 0.00 0.00 61.69 59.88 1bld s THR 98 Cb -0.11 -1.53 0.11 0.00 1.34 0.00 0.00 72.50 72.31 1bld s THR 98 CO 0.22 -0.50 1.35 0.47 -0.54 0.00 0.00 174.62 175.62 1bld n ASP 99 N -0.13 0.20 -0.82 3.99 9.92 -1.26 -0.79 116.55 127.65 1bld n ASP 99 Ca -0.12 0.57 0.11 0.00 -0.53 0.00 0.00 54.79 54.82 1bld n ASP 99 Cb 0.63 -0.61 0.29 0.00 -0.64 0.00 0.00 41.12 40.79 1bld n ASP 99 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1bld n GLU 100 N -1.75 2.08 0.00 -1.24 1.02 -1.26 -3.86 120.64 115.63 1bld n GLU 100 Ca 0.01 -1.63 0.12 0.00 -0.02 0.00 0.00 57.16 55.64 1bld n GLU 100 Cb 0.08 -1.44 0.23 0.00 -0.02 0.00 0.00 31.44 30.29 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 -2.88 3.48 -0.10 0.00 0.08 -1.25 -4.23 117.98 113.07 1bld s PHE 102 Ca 0.14 0.50 -0.04 0.00 0.12 0.00 0.00 56.93 57.64 1bld s PHE 102 Cb 0.18 -1.98 0.05 0.00 -0.57 0.00 0.00 43.02 40.70 1bld s PHE 102 CO 0.68 0.34 0.22 -0.06 -0.10 0.00 0.00 175.22 176.30 1bld s PHE 103 N -1.86 -0.30 -0.10 0.36 0.40 -1.23 -3.68 117.98 111.57 1bld s PHE 103 Ca 0.41 0.75 -0.29 0.00 -0.60 0.00 0.00 56.93 57.19 1bld s PHE 103 Cb -0.11 -0.03 -0.06 0.00 0.51 0.00 0.00 43.02 43.33 1bld s PHE 103 CO 0.28 -0.25 1.93 -0.06 0.70 0.00 0.00 175.22 177.82 1bld s PHE 104 N 1.58 1.49 -0.97 0.36 0.08 -0.46 -3.77 117.98 116.30 1bld s PHE 104 Ca -0.06 0.09 -0.19 0.00 0.12 0.00 0.00 56.93 56.89 1bld s PHE 104 Cb -0.11 -4.07 0.12 0.00 -0.57 0.00 0.00 43.02 38.39 1bld s PHE 104 CO -0.08 -4.43 1.22 -2.00 -0.10 0.00 0.00 175.22 169.83 1bld s GLU 105 N 4.98 3.64 -0.14 0.44 2.12 -1.26 -1.76 118.70 126.72 1bld s GLU 105 Ca 0.87 -1.70 -0.20 0.00 0.36 0.00 0.00 54.97 54.29 1bld s GLU 105 Cb -0.35 -5.02 -0.04 0.00 0.26 0.00 0.00 34.13 28.98 1bld s GLU 105 CO 0.36 -1.86 0.57 0.50 -0.54 0.00 0.00 175.26 174.29 1bld s ARG 106 N 3.05 4.31 -0.07 4.30 3.52 -0.81 -4.91 118.95 128.34 1bld s ARG 106 Ca 0.36 0.59 -0.16 0.00 -0.13 0.00 0.00 55.73 56.39 1bld s ARG 106 Cb -0.04 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 29.82 1bld s ARG 106 CO -0.09 0.00 0.42 -1.17 -0.81 0.00 0.00 175.30 173.66 1bld s LEU 107 N 1.10 4.36 0.00 -0.88 2.96 -1.26 -1.33 118.68 123.62 1bld s LEU 107 Ca 0.29 0.83 0.01 0.00 -0.22 0.00 0.00 54.13 55.04 1bld s LEU 107 Cb -0.16 -2.60 0.11 0.00 0.50 0.00 0.00 46.19 44.04 1bld s LEU 107 CO 0.12 0.15 0.77 -0.62 -1.32 0.00 0.00 176.35 175.46 1bld n GLU 108 N 2.88 0.15 -1.12 1.98 -0.58 -0.95 -4.97 120.64 118.02 1bld n GLU 108 Ca -0.11 -2.24 -0.25 0.00 -0.42 0.00 0.00 57.16 54.15 1bld n GLU 108 Cb 0.52 -0.47 0.05 0.00 -0.57 0.00 0.00 31.44 30.96 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 -2.84 6.95 -1.36 1.62 2.88 -1.26 -4.06 113.62 115.54 1bld n SER 109 Ca 0.13 -3.36 -0.00 0.00 -1.33 0.00 0.00 58.87 54.31 1bld n SER 109 Cb 0.47 -1.04 -0.01 0.00 -0.75 0.00 0.00 64.21 62.88 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 -0.09 0.19 0.00 -3.46 4.13 -1.26 -4.95 115.26 109.82 1bld n ASN 110 Ca 0.44 -2.00 0.00 0.00 1.68 0.00 0.00 54.58 54.69 1bld n ASN 110 Cb 0.59 -0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.78 1bld n ASN 110 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1bld n ASN 111 N 0.24 0.00 -4.67 6.41 4.13 -1.26 -4.90 115.26 115.21 1bld n ASN 111 Ca -0.08 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.81 1bld n ASN 111 Cb 0.96 -2.39 -0.08 0.00 -1.54 0.00 0.00 39.78 36.72 1bld n ASN 111 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1bld s TYR 112 N -1.08 3.35 0.47 3.10 2.02 -1.26 -4.86 117.35 119.08 1bld s TYR 112 Ca 0.00 0.41 0.02 0.00 -0.37 0.00 0.00 57.07 57.13 1bld s TYR 112 Cb 0.00 -2.38 0.01 0.00 -0.40 0.00 0.00 41.96 39.19 1bld s TYR 112 CO 0.00 0.04 0.68 -0.80 -1.57 0.00 0.00 175.55 173.90 1bld s ASN 113 N 1.02 5.61 -0.07 2.29 -0.87 -0.85 -2.23 114.94 119.84 1bld s ASN 113 Ca 0.13 0.06 -0.03 0.00 -1.57 0.00 0.00 52.86 51.45 1bld s ASN 113 Cb -0.14 -1.16 0.04 0.00 -0.02 0.00 0.00 41.25 39.97 1bld s ASN 113 CO 0.06 -0.85 0.13 0.42 -2.57 0.00 0.00 177.10 174.29 1bld s THR 114 N -2.58 -0.19 -0.35 1.60 -4.23 -0.44 -1.68 115.64 107.77 1bld s THR 114 Ca 0.52 0.33 -0.18 0.00 -1.18 0.00 0.00 61.69 61.19 1bld s THR 114 Cb -0.10 -0.25 -0.01 0.00 1.34 0.00 0.00 72.50 73.49 1bld s THR 114 CO 0.37 0.14 0.49 -0.31 -0.54 0.00 0.00 174.62 174.77 1bld s TYR 115 N 2.03 3.19 0.10 3.99 2.02 -1.26 -1.93 117.35 125.49 1bld s TYR 115 Ca 0.01 0.16 0.01 0.00 -0.37 0.00 0.00 57.07 56.87 1bld s TYR 115 Cb -0.12 -2.88 -0.04 0.00 -0.40 0.00 0.00 41.96 38.52 1bld s TYR 115 CO -0.05 -0.51 0.25 0.50 -1.57 0.00 0.00 175.55 174.17 1bld s ARG 116 N 2.33 3.45 0.51 -0.62 3.52 -0.72 -2.45 118.95 124.97 1bld s ARG 116 Ca 0.18 -0.47 -0.18 0.00 -0.13 0.00 0.00 55.73 55.12 1bld s ARG 116 Cb -0.16 -2.99 -0.07 0.00 -1.56 0.00 0.00 34.95 30.17 1bld s ARG 116 CO 0.13 0.56 1.02 0.45 -0.81 0.00 0.00 175.30 176.65 1bld s SER 117 N -2.79 6.34 0.00 -2.12 0.15 -1.08 -1.35 113.70 112.85 1bld s SER 117 Ca 0.35 1.78 0.00 0.00 0.70 0.00 0.00 55.95 58.78 1bld s SER 117 Cb -0.12 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1bld s SER 117 CO 0.28 -0.78 0.00 -1.14 1.20 0.00 0.00 173.24 172.80 1bld n ARG 118 N -1.35 0.00 0.03 5.44 0.63 -1.24 -2.52 116.66 117.65 1bld n ARG 118 Ca 0.08 0.13 0.01 0.00 -0.92 0.00 0.00 57.85 57.15 1bld n ARG 118 Cb 0.53 -0.52 0.06 0.00 0.45 0.00 0.00 32.46 32.98 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 -1.43 0.02 -3.10 -0.14 3.00 -1.26 -2.06 118.16 113.19 1bld n LYS 119 Ca 0.00 0.30 -0.19 0.00 -0.00 0.00 0.00 58.31 58.42 1bld n LYS 119 Cb 0.00 -1.83 -0.03 0.00 0.00 0.00 0.00 35.03 33.17 1bld n LYS 119 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1bld n TYR 120 N -1.39 -0.76 0.47 5.64 4.01 -1.26 -4.93 117.16 118.95 1bld n TYR 120 Ca -0.00 -3.31 0.02 0.00 -0.16 0.00 0.00 57.90 54.45 1bld n TYR 120 Cb 0.29 0.01 0.11 0.00 -0.31 0.00 0.00 39.34 39.43 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 1.04 0.00 0.59 -0.72 -2.24 -0.87 -1.97 114.28 110.09 1bld n THR 121 Ca 0.20 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 62.04 1bld n THR 121 Cb 0.59 -0.63 0.19 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.74 2.39 -3.73 3.42 7.64 -1.26 -4.86 113.62 116.48 1bld n SER 122 Ca 0.03 -2.03 -0.14 0.00 1.01 0.00 0.00 58.87 57.74 1bld n SER 122 Cb 0.01 -0.31 -0.09 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 -1.45 -0.36 0.36 1.43 0.51 -0.83 -4.93 118.94 113.66 1bld s TRP 123 Ca 0.29 0.78 0.08 0.00 -2.12 0.00 0.00 56.10 55.13 1bld s TRP 123 Cb 0.16 0.15 -0.03 0.00 -0.81 0.00 0.00 33.47 32.94 1bld s TRP 123 CO 0.19 -0.31 0.26 0.71 -0.51 0.00 0.00 176.95 177.29 1bld s TYR 124 N -0.49 2.80 -0.03 -1.98 1.51 -1.26 -2.63 117.35 115.27 1bld s TYR 124 Ca -0.06 -0.38 -0.21 0.00 -1.01 0.00 0.00 57.07 55.41 1bld s TYR 124 Cb -0.04 -1.83 -0.05 0.00 -0.11 0.00 0.00 41.96 39.94 1bld s TYR 124 CO 0.03 0.17 0.62 0.08 -1.11 0.00 0.00 175.55 175.34 1bld s VAL 125 N -2.39 4.97 0.21 0.71 1.01 -1.03 -4.87 120.40 119.02 1bld s VAL 125 Ca 0.41 1.29 -0.16 0.00 0.00 0.00 0.00 61.98 63.52 1bld s VAL 125 Cb -0.04 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.40 1bld s VAL 125 CO 0.25 0.36 0.52 0.00 0.00 0.00 0.00 175.10 176.23 1bld s ALA 126 N 0.19 -0.77 0.35 5.51 0.00 -1.26 -4.42 121.76 121.36 1bld s ALA 126 Ca 0.33 -0.40 0.04 0.00 0.00 0.00 0.00 51.96 51.92 1bld s ALA 126 Cb -0.18 0.89 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 1bld s ALA 126 CO 0.17 -0.83 0.14 -0.51 0.00 0.00 0.00 175.76 174.73 1bld s LEU 127 N -2.91 1.87 0.00 0.00 1.43 -1.26 -3.41 118.68 114.40 1bld s LEU 127 Ca 0.12 -1.60 0.00 0.00 -1.03 0.00 0.00 54.13 51.62 1bld s LEU 127 Cb -0.01 0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.23 1bld s LEU 127 CO 0.01 -0.89 0.00 0.29 0.23 0.00 0.00 176.35 175.99 1bld n LYS 128 N -0.74 0.82 0.02 1.70 4.76 0.53 -4.65 118.16 120.61 1bld n LYS 128 Ca -0.02 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.54 1bld n LYS 128 Cb 0.65 0.00 0.13 0.00 -1.84 0.00 0.00 35.03 33.97 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 -0.96 0.17 -0.04 1.97 1.85 -1.26 -3.72 116.66 114.66 1bld n ARG 129 Ca 0.00 0.02 0.13 0.00 -1.00 0.00 0.00 57.85 56.99 1bld n ARG 129 Cb 0.00 -1.58 0.35 0.00 -1.05 0.00 0.00 32.46 30.18 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 -1.80 0.10 -0.35 8.89 5.66 -1.26 -4.89 114.28 120.62 1bld n THR 130 Ca 0.04 -0.39 0.00 0.00 -3.05 0.00 0.00 64.05 60.65 1bld n THR 130 Cb 0.39 0.79 0.00 0.00 -1.55 0.00 0.00 70.33 69.97 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 1.25 0.74 3.90 1.09 0.00 -1.24 -4.98 105.19 105.95 1bld n GLY 131 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.65 3.31 -0.25 1.61 -1.52 -1.26 -2.14 119.66 118.75 1bld s GLN 132 Ca 0.00 0.24 -0.18 0.00 -1.95 0.00 0.00 55.36 53.47 1bld s GLN 132 Cb 0.00 -2.27 -0.03 0.00 -0.22 0.00 0.00 33.01 30.49 1bld s GLN 132 CO 0.00 -0.48 0.53 1.52 -0.25 0.00 0.00 175.29 176.61 1bld s TYR 133 N -2.93 3.28 0.18 0.91 1.13 -1.26 -0.35 117.35 118.31 1bld s TYR 133 Ca 0.51 0.67 -0.30 0.00 -1.41 0.00 0.00 57.07 56.55 1bld s TYR 133 Cb -0.11 -2.73 -0.08 0.00 -1.10 0.00 0.00 41.96 37.95 1bld s TYR 133 CO 0.47 -0.26 1.19 0.21 -2.51 0.00 0.00 175.55 174.64 1bld s LYS 134 N 2.25 4.50 0.21 -3.49 2.20 -1.22 -4.86 119.74 119.33 1bld s LYS 134 Ca 0.22 1.86 -0.31 0.00 -0.36 0.00 0.00 55.97 57.38 1bld s LYS 134 Cb -0.16 -3.25 -0.16 0.00 -1.51 0.00 0.00 37.83 32.76 1bld s LYS 134 CO 0.09 -0.08 1.02 -0.11 -0.36 0.00 0.00 175.35 175.90 1bld n LEU 135 N 2.55 1.14 0.00 5.43 7.94 -1.26 -4.79 117.00 128.00 1bld n LEU 135 Ca 0.04 1.15 0.09 0.00 -1.11 0.00 0.00 56.01 56.19 1bld n LEU 135 Cb 0.45 -1.19 0.43 0.00 0.53 0.00 0.00 43.42 43.64 1bld n LEU 135 CO 0.56 -1.61 0.80 0.61 -1.11 0.00 0.00 177.39 176.64 1bld n GLY 136 N 1.74 -1.08 0.07 -3.96 0.00 -1.10 -2.64 105.19 98.22 1bld n GLY 136 Ca 0.14 -0.07 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 1bld n GLY 136 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bld h SER 137 N 0.00 0.00 0.23 1.61 4.64 -1.85 -3.24 113.55 114.94 1bld h SER 137 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bld h SER 137 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1bld h SER 137 CO 0.00 0.96 -0.24 0.29 -0.87 0.00 0.00 176.83 176.97 1bld n LYS 138 N -3.24 0.86 -1.88 4.77 5.02 -1.08 -4.90 118.16 117.71 1bld n LYS 138 Ca -0.05 -0.50 -0.33 0.00 -2.02 0.00 0.00 58.31 55.40 1bld n LYS 138 Cb 0.96 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 34.52 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 -2.48 3.24 -2.09 -0.18 -4.23 -1.18 -5.00 115.64 103.72 1bld s THR 139 Ca 0.25 0.62 0.00 0.00 -1.18 0.00 0.00 61.69 61.38 1bld s THR 139 Cb 0.19 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.88 1bld s THR 139 CO 0.51 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.88 1bld n GLY 140 N -0.38 -1.85 3.62 3.99 0.00 -1.26 -4.76 105.19 104.55 1bld n GLY 140 Ca 0.11 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.97 0.50 0.00 1.61 0.02 -1.26 -3.24 135.00 130.66 1bld s PRO 141 Ca 0.00 1.34 0.00 0.00 0.02 0.00 0.00 61.00 62.36 1bld s PRO 141 Cb 0.00 -1.68 0.00 0.00 0.02 0.00 0.00 34.50 32.84 1bld s PRO 141 CO 0.00 -2.91 0.00 0.41 -0.33 0.00 0.00 177.00 174.17 1bld n GLY 142 N 0.33 2.82 3.70 0.52 0.00 -1.26 -5.00 105.19 106.29 1bld n GLY 142 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.03 4.38 0.00 1.61 -0.21 -1.20 -4.92 119.66 119.29 1bld s GLN 143 Ca 0.00 0.89 0.29 0.00 0.02 0.00 0.00 55.36 56.56 1bld s GLN 143 Cb 0.00 -3.49 1.38 0.00 1.00 0.00 0.00 33.01 31.90 1bld s GLN 143 CO 0.00 -0.06 1.94 1.63 -2.12 0.00 0.00 175.29 176.68 1bld n LYS 144 N 4.27 0.91 0.00 2.91 5.02 -1.26 -3.65 118.16 126.36 1bld n LYS 144 Ca 0.00 -0.28 0.02 0.00 -2.02 0.00 0.00 58.31 56.03 1bld n LYS 144 Cb 0.51 -1.49 0.13 0.00 -0.02 0.00 0.00 35.03 34.15 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 -0.80 1.45 1.28 7.82 0.00 -1.26 -0.64 120.51 128.36 1bld n ALA 145 Ca 0.17 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.72 1bld n ALA 145 Cb 0.25 -1.08 0.37 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.26 0.03 -2.94 0.00 -5.35 -1.24 -4.35 119.36 104.25 1bld n ILE 146 Ca 0.02 -0.35 -0.44 0.00 -0.27 0.00 0.00 62.75 61.71 1bld n ILE 146 Cb 0.04 0.83 -0.03 0.00 -1.74 0.00 0.00 39.64 38.74 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 -1.96 5.04 0.46 7.28 1.43 0.19 -4.21 118.68 126.91 1bld s LEU 147 Ca 0.34 -1.89 0.03 0.00 -1.03 0.00 0.00 54.13 51.58 1bld s LEU 147 Cb 0.21 -2.39 0.01 0.00 0.03 0.00 0.00 46.19 44.05 1bld s LEU 147 CO 0.32 -1.10 0.65 -0.36 0.23 0.00 0.00 176.35 176.09 1bld s PHE 148 N 2.78 3.00 -0.44 0.29 0.40 -0.68 -3.28 117.98 120.05 1bld s PHE 148 Ca 0.30 -0.06 0.06 0.00 -0.60 0.00 0.00 56.93 56.63 1bld s PHE 148 Cb -0.08 -2.42 0.22 0.00 0.51 0.00 0.00 43.02 41.25 1bld s PHE 148 CO -0.06 -0.49 0.49 -0.11 0.70 0.00 0.00 175.22 175.75 1bld n LEU 149 N -2.05 0.52 -4.58 -0.37 7.94 -0.59 -2.01 117.00 115.86 1bld n LEU 149 Ca 0.05 -4.71 -0.41 0.00 -1.11 0.00 0.00 56.01 49.83 1bld n LEU 149 Cb 0.59 0.39 -0.03 0.00 0.53 0.00 0.00 43.42 44.90 1bld n LEU 149 CO 0.44 1.99 1.82 -2.84 -1.11 0.00 0.00 177.39 177.69 1bld s PRO 150 N -0.97 2.84 -0.17 1.96 0.02 -1.26 -3.27 135.00 134.15 1bld s PRO 150 Ca 0.34 1.63 -0.13 0.00 0.02 0.00 0.00 61.00 62.87 1bld s PRO 150 Cb 0.12 -4.40 -0.05 0.00 0.02 0.00 0.00 34.50 30.19 1bld s PRO 150 CO -0.13 -2.44 0.24 -1.64 -0.33 0.00 0.00 177.00 172.70 1bld s MET 151 N 6.81 4.22 0.25 5.54 -1.94 0.01 -4.90 119.30 129.29 1bld s MET 151 Ca 0.93 -0.01 -0.30 0.00 -1.71 0.00 0.00 55.69 54.61 1bld s MET 151 Cb -0.25 -3.42 -0.09 0.00 2.01 0.00 0.00 34.83 33.08 1bld s MET 151 CO 0.31 0.27 1.26 0.45 -0.01 0.00 0.00 175.02 177.30 1bld s SER 152 N 0.41 6.95 -1.19 3.03 0.15 -1.26 -0.95 113.70 120.84 1bld s SER 152 Ca 0.14 2.44 -0.06 0.00 0.70 0.00 0.00 55.95 59.17 1bld s SER 152 Cb -0.12 -2.62 0.07 0.00 -1.71 0.00 0.00 66.02 61.64 1bld s SER 152 CO 0.02 -0.44 2.55 0.00 1.20 0.00 0.00 173.24 176.57 1bld n ALA 153 N 1.85 6.84 -1.00 5.45 0.00 -0.70 -4.82 120.51 128.14 1bld n ALA 153 Ca 0.03 -3.79 0.00 0.00 0.00 0.00 0.00 53.44 49.68 1bld n ALA 153 Cb 0.43 -2.74 0.00 0.00 0.00 0.00 0.00 19.45 17.14 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 1.84 0.00 0.00 0.00 5.02 -1.26 -4.77 118.16 118.99 1bld n LYS 154 Ca 0.62 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.93 1bld n LYS 154 Cb 0.31 -0.51 0.11 0.00 -0.02 0.00 0.00 35.03 34.92 1bld n LYS 154 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31