#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 0.18 -1.17 3.04 0.00 -1.26 -5.15 120.51 116.15 1bld n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bld n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 -0.68 0.00 -0.58 -1.26 -5.13 120.64 112.99 1bld n GLU 3 Ca 0.00 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.54 1bld n GLU 3 Cb 0.00 0.00 0.17 0.00 -0.57 0.00 0.00 31.44 31.04 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 0.00 -2.74 3.76 0.62 0.00 -1.26 -4.81 105.19 100.76 1bld n GLY 4 Ca 0.00 -1.47 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 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 -4.67 4.27 0.30 1.61 2.02 -1.26 -4.91 118.70 116.05 1bld s GLU 5 Ca 0.48 0.62 0.00 0.00 0.02 0.00 0.00 54.97 56.09 1bld s GLU 5 Cb -0.05 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 30.83 1bld s GLU 5 CO 0.37 0.36 0.00 -0.89 0.02 0.00 0.00 175.26 175.12 1bld n ILE 6 N 2.85 0.00 -1.73 -1.63 5.41 -1.26 -4.78 119.36 118.22 1bld n ILE 6 Ca -0.08 0.23 -0.30 0.00 1.00 0.00 0.00 62.75 63.61 1bld n ILE 6 Cb 0.51 -0.56 0.08 0.00 -0.71 0.00 0.00 39.64 38.96 1bld n ILE 6 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1bld s THR 7 N -2.80 2.99 -0.19 1.39 -4.23 -1.26 -5.03 115.64 106.51 1bld s THR 7 Ca 0.00 0.32 -0.29 0.00 -1.18 0.00 0.00 61.69 60.54 1bld s THR 7 Cb 0.00 -3.20 0.13 0.00 1.34 0.00 0.00 72.50 70.77 1bld s THR 7 CO 0.00 -0.42 1.02 -0.89 -0.54 0.00 0.00 174.62 173.79 1bld s THR 8 N -3.31 0.00 0.03 3.99 2.01 -1.26 -4.83 115.64 112.27 1bld s THR 8 Ca 0.60 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.61 1bld s THR 8 Cb -0.13 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.36 1bld s THR 8 CO 0.52 0.00 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.64 1bld s LEU 9 N -0.81 2.22 -0.66 4.42 1.02 -1.26 -5.04 118.68 118.57 1bld s LEU 9 Ca -0.00 -0.48 -0.26 0.00 0.02 0.00 0.00 54.13 53.41 1bld s LEU 9 Cb -0.01 -0.03 -0.27 0.00 0.02 0.00 0.00 46.19 45.90 1bld s LEU 9 CO -0.01 -0.23 1.85 -0.81 0.02 0.00 0.00 176.35 177.18 1bld n PRO 10 N 1.68 0.05 -3.81 1.29 -0.04 -1.26 -3.95 135.00 128.97 1bld n PRO 10 Ca -0.22 -1.36 -0.30 0.00 -0.04 0.00 0.00 63.50 61.58 1bld n PRO 10 Cb 0.55 -3.28 0.01 0.00 -0.04 0.00 0.00 33.50 30.75 1bld n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bld n ALA 11 N 15.42 -2.70 -0.08 0.55 0.00 -1.26 -4.90 120.51 127.54 1bld n ALA 11 Ca 0.40 -0.35 -0.22 0.00 0.00 0.00 0.00 53.44 53.27 1bld n ALA 11 Cb 0.45 -1.79 -0.12 0.00 0.00 0.00 0.00 19.45 17.99 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 -3.51 2.06 -4.64 0.00 4.77 -1.25 -4.83 117.00 109.60 1bld n LEU 12 Ca -0.20 0.37 -0.29 0.00 -0.03 0.00 0.00 56.01 55.85 1bld n LEU 12 Cb 0.63 -1.00 0.18 0.00 -2.33 0.00 0.00 43.42 40.90 1bld n LEU 12 CO 0.67 0.43 0.62 -2.16 -1.33 0.00 0.00 177.39 175.61 1bld s PRO 13 N -2.42 0.36 -0.94 3.23 0.05 -1.26 -4.07 135.00 129.95 1bld s PRO 13 Ca -0.27 0.80 -0.00 0.00 0.05 0.00 0.00 61.00 61.58 1bld s PRO 13 Cb 0.06 -1.71 -0.00 0.00 0.05 0.00 0.00 34.50 32.90 1bld s PRO 13 CO 0.63 -2.85 0.78 -1.91 0.05 0.00 0.00 177.00 173.71 1bld n GLU 14 N -4.30 -5.08 0.00 4.56 2.13 -1.26 -4.50 120.64 112.19 1bld n GLU 14 Ca 0.06 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.54 1bld n GLU 14 Cb 0.55 -5.13 0.00 0.00 0.27 0.00 0.00 31.44 27.13 1bld n GLU 14 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1bld n ASP 15 N -2.68 0.00 0.00 4.31 9.92 -1.26 -4.19 116.55 122.66 1bld n ASP 15 Ca -0.22 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.04 1bld n ASP 15 Cb 0.63 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 1bld n ASP 15 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bld n GLY 16 N 0.00 -0.41 1.92 0.44 0.00 -1.26 -4.84 105.19 101.04 1bld n GLY 16 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.83 0.00 -0.02 0.00 -1.26 -5.05 105.19 96.02 1bld n GLY 17 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1bld n GLY 17 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bld n SER 18 N -4.13 0.00 0.18 1.61 7.64 -1.26 -5.04 113.62 112.62 1bld n SER 18 Ca 0.08 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.87 1bld n SER 18 Cb 0.33 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.48 1bld n SER 18 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1bld h GLY 19 N 0.00 -0.55 0.00 0.23 0.00 -2.04 -3.42 103.07 97.29 1bld h GLY 19 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1bld h GLY 19 CO 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 176.54 176.34 1bld n ALA 20 N -2.69 0.97 -3.79 3.60 0.00 -1.26 -5.05 120.51 112.28 1bld n ALA 20 Ca -0.08 -0.34 -0.28 0.00 0.00 0.00 0.00 53.44 52.74 1bld n ALA 20 Cb 0.24 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.66 -0.73 0.00 -1.74 -1.26 -4.88 117.46 107.19 1bld n PHE 21 Ca 0.00 0.55 -0.29 0.00 -0.56 0.00 0.00 57.45 57.15 1bld n PHE 21 Cb 0.49 -2.48 0.22 0.00 1.52 0.00 0.00 39.48 39.23 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 -5.43 -0.35 1.15 3.97 0.05 -1.26 -4.98 135.00 128.15 1bld s PRO 22 Ca 0.13 0.84 -0.14 0.00 0.05 0.00 0.00 61.00 61.88 1bld s PRO 22 Cb -0.07 -1.62 0.23 0.00 0.05 0.00 0.00 34.50 33.09 1bld s PRO 22 CO 0.83 -3.35 0.74 -2.30 0.05 0.00 0.00 177.00 172.97 1bld n PRO 23 N -4.65 -2.11 -1.47 0.56 -0.01 -1.26 -4.38 135.00 121.68 1bld n PRO 23 Ca 0.04 -0.59 0.00 0.00 -0.01 0.00 0.00 63.50 62.95 1bld n PRO 23 Cb 0.55 -2.04 0.00 0.00 -0.01 0.00 0.00 33.50 31.99 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 1.27 0.98 0.90 -1.23 0.00 -1.26 -4.96 105.19 100.89 1bld n GLY 24 Ca 0.03 -0.41 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 1bld n GLY 24 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bld n HIS 25 N -1.55 -0.07 -2.23 1.61 -0.00 -1.26 -4.96 115.22 106.77 1bld n HIS 25 Ca 0.00 -0.37 0.04 0.00 -0.00 0.00 0.00 57.72 57.39 1bld n HIS 25 Cb 0.30 0.46 0.05 0.00 -0.00 0.00 0.00 29.99 30.80 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 -0.05 0.00 1.02 1.57 3.01 -1.26 -4.78 117.46 116.96 1bld n PHE 26 Ca -0.18 -0.62 0.12 0.00 1.01 0.00 0.00 57.45 57.77 1bld n PHE 26 Cb 0.56 -0.15 0.32 0.00 -0.01 0.00 0.00 39.48 40.20 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 0.08 2.01 -4.28 -1.08 4.01 -1.26 -4.09 118.16 113.54 1bld n LYS 27 Ca 0.08 -1.50 -0.28 0.00 -0.51 0.00 0.00 58.31 56.10 1bld n LYS 27 Cb 0.99 -1.45 -0.10 0.00 -0.51 0.00 0.00 35.03 33.96 1bld n LYS 27 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1bld s ASP 28 N -1.70 4.14 1.10 4.39 1.11 -1.26 -5.04 116.67 119.41 1bld s ASP 28 Ca 0.34 -0.54 -0.12 0.00 0.18 0.00 0.00 52.55 52.42 1bld s ASP 28 Cb 0.20 -0.67 0.25 0.00 1.07 0.00 0.00 42.92 43.77 1bld s ASP 28 CO 0.30 0.15 1.06 -2.16 1.18 0.00 0.00 175.17 175.69 1bld s PRO 29 N -2.46 -0.47 -0.15 8.23 0.04 -1.26 -4.40 135.00 134.53 1bld s PRO 29 Ca 0.22 1.09 -0.08 0.00 0.04 0.00 0.00 61.00 62.26 1bld s PRO 29 Cb -0.10 -1.59 0.05 0.00 0.04 0.00 0.00 34.50 32.91 1bld s PRO 29 CO 0.13 -3.50 0.36 0.15 0.04 0.00 0.00 177.00 174.18 1bld s LYS 30 N -4.48 0.34 -0.28 4.56 1.02 -1.03 -3.43 119.74 116.45 1bld s LYS 30 Ca 0.68 0.69 -0.22 0.00 0.02 0.00 0.00 55.97 57.15 1bld s LYS 30 Cb -0.25 -0.03 -0.01 0.00 -0.52 0.00 0.00 37.83 37.02 1bld s LYS 30 CO 0.63 -0.15 0.69 1.03 -0.92 0.00 0.00 175.35 176.63 1bld s ARG 31 N 1.24 4.04 -0.68 1.68 0.52 -1.04 -3.82 118.95 120.88 1bld s ARG 31 Ca -0.09 0.55 -0.24 0.00 -0.52 0.00 0.00 55.73 55.43 1bld s ARG 31 Cb -0.08 -3.69 0.05 0.00 0.52 0.00 0.00 34.95 31.75 1bld s ARG 31 CO -0.10 -0.52 1.08 -0.51 0.02 0.00 0.00 175.30 175.26 1bld s LEU 32 N 2.67 3.91 -0.23 2.53 1.43 -1.26 -2.52 118.68 125.22 1bld s LEU 32 Ca 0.28 -0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 52.55 1bld s LEU 32 Cb -0.15 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 1bld s LEU 32 CO 0.10 -1.56 0.22 -0.47 0.23 0.00 0.00 176.35 174.86 1bld s TYR 33 N 4.66 3.34 -0.24 0.29 5.04 -1.25 -2.50 117.35 126.69 1bld s TYR 33 Ca 0.28 0.33 -0.18 0.00 -2.44 0.00 0.00 57.07 55.05 1bld s TYR 33 Cb -0.13 -2.33 -0.03 0.00 0.35 0.00 0.00 41.96 39.82 1bld s TYR 33 CO 0.13 0.06 0.54 0.00 -1.34 0.00 0.00 175.55 174.94 1bld h LYS 35 N 7.80 0.00 -6.02 0.00 3.11 -1.87 -2.55 116.57 117.05 1bld h LYS 35 Ca -0.30 0.00 -0.59 0.00 -2.81 0.00 0.00 60.65 56.94 1bld h LYS 35 Cb 1.14 0.00 -0.11 0.00 -1.00 0.00 0.00 32.23 32.26 1bld h LYS 35 CO 0.73 0.00 0.69 -0.80 -2.81 0.00 0.00 179.45 177.26 1bld s ASN 36 N -4.39 6.34 0.00 4.20 0.02 -1.26 -3.62 114.94 116.24 1bld s ASN 36 Ca 0.04 -0.30 0.00 0.00 -1.02 0.00 0.00 52.86 51.58 1bld s ASN 36 Cb 0.09 -2.47 0.00 0.00 0.02 0.00 0.00 41.25 38.89 1bld s ASN 36 CO 0.41 -1.34 0.00 0.61 0.02 0.00 0.00 177.10 176.81 1bld n GLY 37 N 5.14 0.60 2.98 0.66 0.00 -1.26 -4.30 105.19 109.00 1bld n GLY 37 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.08 -2.04 3.00 -0.02 0.00 -1.11 -5.02 105.19 97.92 1bld n GLY 38 Ca 0.00 0.41 -0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.46 -0.22 -0.13 1.61 0.08 -0.98 -4.68 117.98 112.20 1bld s PHE 39 Ca 0.05 0.57 -0.15 0.00 0.12 0.00 0.00 56.93 57.53 1bld s PHE 39 Cb -0.01 0.00 -0.05 0.00 -0.57 0.00 0.00 43.02 42.40 1bld s PHE 39 CO 0.49 -0.17 0.35 -0.06 -0.10 0.00 0.00 175.22 175.73 1bld s PHE 40 N 0.88 3.51 0.45 0.36 0.40 -0.98 -0.91 117.98 121.69 1bld s PHE 40 Ca -0.06 0.71 -0.25 0.00 -0.60 0.00 0.00 56.93 56.73 1bld s PHE 40 Cb -0.08 -2.37 -0.08 0.00 0.51 0.00 0.00 43.02 41.00 1bld s PHE 40 CO -0.05 0.28 1.36 -1.17 0.70 0.00 0.00 175.22 176.35 1bld s LEU 41 N 0.28 4.10 -0.13 -0.37 2.96 -1.04 -1.00 118.68 123.47 1bld s LEU 41 Ca 0.20 2.78 -0.05 0.00 -0.22 0.00 0.00 54.13 56.84 1bld s LEU 41 Cb -0.14 -3.99 0.07 0.00 0.50 0.00 0.00 46.19 42.62 1bld s LEU 41 CO 0.06 -1.12 0.25 -0.60 -1.32 0.00 0.00 176.35 173.63 1bld s ARG 42 N -2.47 0.14 -0.26 1.98 3.52 -0.54 -4.42 118.95 116.90 1bld s ARG 42 Ca 0.61 0.70 -0.16 0.00 -0.13 0.00 0.00 55.73 56.75 1bld s ARG 42 Cb -0.41 -0.13 -0.03 0.00 -1.56 0.00 0.00 34.95 32.82 1bld s ARG 42 CO 0.51 -0.31 0.44 0.42 -0.81 0.00 0.00 175.30 175.55 1bld s ILE 43 N 2.40 5.13 0.41 4.11 1.01 -1.26 -2.36 121.20 130.63 1bld s ILE 43 Ca 0.02 0.72 -0.16 0.00 0.00 0.00 0.00 60.65 61.22 1bld s ILE 43 Cb -0.12 -3.76 -0.09 0.00 0.01 0.00 0.00 42.46 38.50 1bld s ILE 43 CO -0.09 0.13 0.86 -1.00 0.00 0.00 0.00 174.94 174.84 1bld s HIS 44 N 2.15 3.39 0.56 3.97 3.76 -0.95 -4.72 115.29 123.44 1bld s HIS 44 Ca 0.18 1.36 0.26 0.00 -0.15 0.00 0.00 55.06 56.70 1bld s HIS 44 Cb -0.16 -2.67 1.55 0.00 1.11 0.00 0.00 32.58 32.42 1bld s HIS 44 CO 0.09 -0.10 2.11 -1.00 -0.85 0.00 0.00 174.74 175.00 1bld h PRO 45 N 1.70 0.00 0.00 8.40 0.13 -1.92 0.26 132.00 140.57 1bld h PRO 45 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.63 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.00 1bld n ASP 46 N -4.07 0.00 0.00 1.44 5.68 -1.26 -4.83 116.55 113.52 1bld n ASP 46 Ca 0.02 -0.81 0.00 0.00 -0.50 0.00 0.00 54.79 53.50 1bld n ASP 46 Cb 0.30 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 1bld n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bld n GLY 47 N 0.47 2.98 3.60 6.12 0.00 0.93 -4.96 105.19 114.33 1bld n GLY 47 Ca 0.16 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.98 1.93 -3.48 1.61 5.12 -1.26 -3.53 116.66 116.08 1bld n ARG 48 Ca 0.00 0.63 -0.37 0.00 -1.93 0.00 0.00 57.85 56.18 1bld n ARG 48 Cb 0.00 -2.80 -0.06 0.00 -1.16 0.00 0.00 32.46 28.44 1bld n ARG 48 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1bld s VAL 49 N 6.06 4.99 -0.19 1.55 1.01 -1.25 -2.25 120.40 130.33 1bld s VAL 49 Ca 0.99 0.77 -0.30 0.00 0.00 0.00 0.00 61.98 63.44 1bld s VAL 49 Cb -0.61 -3.71 0.14 0.00 0.00 0.00 0.00 36.38 32.20 1bld s VAL 49 CO 0.46 0.45 1.07 1.51 0.00 0.00 0.00 175.10 178.59 1bld s ASP 50 N -1.36 -0.30 0.30 3.32 -4.77 -1.00 -4.48 116.67 108.39 1bld s ASP 50 Ca 0.29 0.32 -0.05 0.00 -3.30 0.00 0.00 52.55 49.82 1bld s ASP 50 Cb -0.16 0.25 -0.05 0.00 -1.09 0.00 0.00 42.92 41.87 1bld s ASP 50 CO 0.16 -0.28 0.57 -0.83 0.70 0.00 0.00 175.17 175.49 1bld s GLY 51 N -1.10 1.81 -0.10 2.12 0.00 -0.46 -1.46 107.32 108.13 1bld s GLY 51 Ca 0.01 -0.57 -0.10 0.00 0.00 0.00 0.00 44.72 44.05 1bld s GLY 51 CO -0.00 -0.47 0.27 -1.34 0.00 0.00 0.00 173.10 171.56 1bld s VAL 52 N -2.13 0.00 -0.71 1.40 -7.23 -0.17 -4.23 120.40 107.34 1bld s VAL 52 Ca 0.44 -0.03 0.19 0.00 -1.81 0.00 0.00 61.98 60.77 1bld s VAL 52 Cb -0.11 -0.40 0.18 0.00 0.56 0.00 0.00 36.38 36.62 1bld s VAL 52 CO 0.31 -0.02 1.58 0.54 -0.31 0.00 0.00 175.10 177.20 1bld n ARG 53 N 2.84 0.10 -1.64 4.82 5.12 -1.26 -2.33 116.66 124.31 1bld n ARG 53 Ca -0.13 0.36 -0.34 0.00 -1.93 0.00 0.00 57.85 55.81 1bld n ARG 53 Cb 0.58 -1.71 -0.04 0.00 -1.16 0.00 0.00 32.46 30.14 1bld n ARG 53 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1bld s GLU 54 N -3.18 2.12 0.00 5.56 0.41 -1.26 -4.73 118.70 117.62 1bld s GLU 54 Ca 0.05 1.14 0.28 0.00 -0.41 0.00 0.00 54.97 56.04 1bld s GLU 54 Cb 0.09 -4.59 1.14 0.00 -1.78 0.00 0.00 34.13 28.98 1bld s GLU 54 CO 0.32 -3.35 1.81 1.17 -0.49 0.00 0.00 175.26 174.72 1bld n LYS 55 N 9.01 0.60 -0.88 1.61 0.00 -1.26 -3.42 118.16 123.82 1bld n LYS 55 Ca 0.36 -0.22 -0.04 0.00 0.00 0.00 0.00 58.31 58.40 1bld n LYS 55 Cb 0.53 -1.50 0.28 0.00 0.00 0.00 0.00 35.03 34.34 1bld n LYS 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1bld n SER 56 N -1.00 4.55 -4.37 3.14 3.41 -1.26 -4.73 113.62 113.36 1bld n SER 56 Ca 0.13 -3.02 -0.42 0.00 -0.26 0.00 0.00 58.87 55.30 1bld n SER 56 Cb 0.29 -0.71 -0.10 0.00 -0.26 0.00 0.00 64.21 63.43 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 -0.78 5.90 0.00 4.04 1.01 -1.22 -4.92 116.67 120.70 1bld s ASP 57 Ca 0.48 -1.19 0.02 0.00 0.71 0.00 0.00 52.55 52.57 1bld s ASP 57 Cb 0.38 -2.09 0.13 0.00 1.01 0.00 0.00 42.92 42.35 1bld s ASP 57 CO 0.12 -0.51 0.77 -2.65 0.21 0.00 0.00 175.17 173.12 1bld n PRO 58 N 5.07 0.05 0.16 8.23 -0.02 -1.26 -1.38 135.00 145.85 1bld n PRO 58 Ca -0.11 0.15 0.04 0.00 -2.02 0.00 0.00 63.50 61.56 1bld n PRO 58 Cb 0.45 -1.50 0.18 0.00 -0.02 0.00 0.00 33.50 32.61 1bld n PRO 58 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1bld h HIS 59 N 0.00 0.00 0.00 6.00 3.86 -1.95 -2.82 115.15 120.24 1bld h HIS 59 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1bld h HIS 59 Cb 0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1bld h HIS 59 CO 0.00 0.45 0.00 0.44 0.86 0.00 0.00 177.93 179.68 1bld n ILE 60 N -3.37 0.47 -2.37 2.45 -5.35 -0.48 -4.34 119.36 106.37 1bld n ILE 60 Ca 0.01 0.12 -0.36 0.00 -0.27 0.00 0.00 62.75 62.25 1bld n ILE 60 Cb 0.63 -0.83 -0.03 0.00 -1.74 0.00 0.00 39.64 37.66 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 -2.55 3.26 -0.01 6.28 1.02 -1.07 -4.52 119.74 122.15 1bld s LYS 61 Ca 0.17 -1.05 -0.19 0.00 0.02 0.00 0.00 55.97 54.92 1bld s LYS 61 Cb 0.12 -5.30 -0.05 0.00 -0.52 0.00 0.00 37.83 32.08 1bld s LYS 61 CO 0.26 -2.73 0.55 -0.51 -0.92 0.00 0.00 175.35 172.00 1bld s LEU 62 N 6.90 4.41 -0.42 3.17 1.43 -1.25 -3.51 118.68 129.41 1bld s LEU 62 Ca 0.56 1.09 -0.22 0.00 -1.03 0.00 0.00 54.13 54.54 1bld s LEU 62 Cb -0.01 -2.84 0.02 0.00 0.03 0.00 0.00 46.19 43.39 1bld s LEU 62 CO -0.02 0.13 0.72 -1.58 0.23 0.00 0.00 176.35 175.84 1bld s GLN 63 N -0.28 3.45 0.20 1.70 0.74 0.30 -2.48 119.66 123.29 1bld s GLN 63 Ca 0.29 -0.11 -0.10 0.00 0.05 0.00 0.00 55.36 55.49 1bld s GLN 63 Cb -0.18 -3.91 -0.07 0.00 1.10 0.00 0.00 33.01 29.96 1bld s GLN 63 CO 0.16 -1.00 0.53 -0.51 -0.55 0.00 0.00 175.29 173.91 1bld s LEU 64 N 3.05 4.21 -0.01 3.68 1.02 -1.26 -1.07 118.68 128.30 1bld s LEU 64 Ca 0.27 0.91 -0.08 0.00 0.02 0.00 0.00 54.13 55.25 1bld s LEU 64 Cb -0.13 -3.55 0.01 0.00 0.02 0.00 0.00 46.19 42.53 1bld s LEU 64 CO 0.20 -0.02 0.17 -1.58 0.02 0.00 0.00 176.35 175.13 1bld s GLN 65 N -2.63 0.46 0.65 1.70 0.74 0.14 -4.48 119.66 116.25 1bld s GLN 65 Ca 0.45 -0.26 -0.10 0.00 0.05 0.00 0.00 55.36 55.49 1bld s GLN 65 Cb -0.12 0.20 0.00 0.00 1.10 0.00 0.00 33.01 34.19 1bld s GLN 65 CO 0.21 -0.11 1.02 0.00 -0.55 0.00 0.00 175.29 175.87 1bld s ALA 66 N -1.13 3.05 0.03 1.58 0.00 -1.26 0.17 121.76 124.20 1bld s ALA 66 Ca -0.12 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1bld s ALA 66 Cb -0.06 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.15 1bld s ALA 66 CO 0.02 -0.95 0.00 -1.91 0.00 0.00 0.00 175.76 172.91 1bld n GLU 67 N -2.83 0.00 0.00 0.00 2.13 -0.42 -4.68 120.64 114.84 1bld n GLU 67 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1bld n GLU 67 Cb 0.57 -0.05 0.00 0.00 0.27 0.00 0.00 31.44 32.23 1bld n GLU 67 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1bld n GLU 68 N -2.66 0.00 -3.00 5.31 1.02 -0.94 -5.00 120.64 115.37 1bld n GLU 68 Ca 0.00 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.70 1bld n GLU 68 Cb 0.04 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.42 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 4.98 3.10 0.00 3.49 1.81 -1.26 -4.01 118.95 127.06 1bld s ARG 69 Ca 0.00 -0.99 0.00 0.00 -1.72 0.00 0.00 55.73 53.02 1bld s ARG 69 Cb 0.00 -4.21 0.00 0.00 -0.45 0.00 0.00 34.95 30.29 1bld s ARG 69 CO 0.00 -1.60 0.00 0.41 -0.68 0.00 0.00 175.30 173.43 1bld n GLY 70 N 5.27 2.59 3.49 -3.53 0.00 -1.26 -4.98 105.19 106.77 1bld n GLY 70 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.19 4.63 0.55 1.61 1.01 -1.26 -3.10 120.40 121.65 1bld s VAL 71 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 61.97 1bld s VAL 71 Cb 0.00 -4.41 0.10 0.00 0.00 0.00 0.00 36.38 32.07 1bld s VAL 71 CO 0.00 -0.94 0.75 1.33 0.00 0.00 0.00 175.10 176.24 1bld n VAL 72 N 5.93 0.00 -3.54 2.92 0.24 -1.25 -1.29 118.33 121.34 1bld n VAL 72 Ca -0.02 -1.43 -0.18 0.00 -2.04 0.00 0.00 64.34 60.67 1bld n VAL 72 Cb 0.47 -0.81 -0.13 0.00 -1.47 0.00 0.00 33.84 31.89 1bld n VAL 72 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1bld s SER 73 N -4.19 1.23 0.14 -1.34 0.01 0.44 -4.05 113.70 105.94 1bld s SER 73 Ca 0.53 -0.08 -0.15 0.00 1.31 0.00 0.00 55.95 57.55 1bld s SER 73 Cb -0.03 0.37 -0.07 0.00 0.21 0.00 0.00 66.02 66.50 1bld s SER 73 CO 0.34 -0.31 0.56 -0.63 0.41 0.00 0.00 173.24 173.61 1bld s ILE 74 N 2.32 4.83 -0.05 1.44 1.01 -1.26 0.24 121.20 129.73 1bld s ILE 74 Ca 0.06 0.90 -0.09 0.00 0.00 0.00 0.00 60.65 61.52 1bld s ILE 74 Cb -0.15 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.58 1bld s ILE 74 CO -0.11 0.29 0.21 -0.75 0.00 0.00 0.00 174.94 174.58 1bld s LYS 75 N -1.83 0.37 0.10 2.79 2.20 -0.23 -3.63 119.74 119.50 1bld s LYS 75 Ca 0.37 0.07 -0.16 0.00 -0.36 0.00 0.00 55.97 55.89 1bld s LYS 75 Cb -0.16 0.17 -0.07 0.00 -1.51 0.00 0.00 37.83 36.26 1bld s LYS 75 CO 0.19 -0.07 0.54 0.20 -0.36 0.00 0.00 175.35 175.85 1bld s GLY 76 N -0.43 2.54 0.00 5.54 0.00 0.52 0.11 107.32 115.60 1bld s GLY 76 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.59 1bld s GLY 76 CO 0.01 0.27 0.01 -0.62 0.00 0.00 0.00 173.10 172.77 1bld n VAL 77 N 1.28 0.00 -0.34 1.40 0.31 -1.23 -0.88 118.33 118.87 1bld n VAL 77 Ca -0.08 0.03 0.20 0.00 -0.01 0.00 0.00 64.34 64.48 1bld n VAL 77 Cb 0.51 -0.09 0.42 0.00 -0.91 0.00 0.00 33.84 33.78 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 0.62 0.62 4.52 0.87 -1.87 0.94 113.55 119.26 1bld h SER 78 Ca 0.00 0.15 -0.12 0.00 -1.23 0.00 0.00 61.79 60.59 1bld h SER 78 Cb 0.00 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 1bld h SER 78 CO 0.00 0.04 -0.55 0.00 -0.53 0.00 0.00 176.83 175.79 1bld h ALA 79 N 1.75 1.03 -6.22 6.23 0.00 -1.85 -3.47 119.26 116.73 1bld h ALA 79 Ca 0.67 -0.50 -0.44 0.00 0.00 0.00 0.00 54.91 54.64 1bld h ALA 79 Cb 1.37 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 19.11 1bld h ALA 79 CO -0.49 0.69 -0.89 0.09 0.00 0.00 0.00 179.25 178.65 1bld n ASN 80 N -3.80 -2.63 -3.84 0.00 3.02 0.33 -4.95 115.26 103.39 1bld n ASN 80 Ca -0.01 -0.94 -0.10 0.00 -0.03 0.00 0.00 54.58 53.50 1bld n ASN 80 Cb 0.57 -3.60 -0.08 0.00 -0.61 0.00 0.00 39.78 36.06 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 -6.06 0.75 -0.13 3.52 0.52 -1.20 -4.57 118.95 111.77 1bld s ARG 81 Ca 0.19 -0.71 -0.16 0.00 -0.52 0.00 0.00 55.73 54.53 1bld s ARG 81 Cb -0.06 0.31 -0.04 0.00 0.52 0.00 0.00 34.95 35.67 1bld s ARG 81 CO 0.85 -0.23 0.39 0.71 0.02 0.00 0.00 175.30 177.04 1bld s TYR 82 N -2.92 3.49 0.46 -0.53 2.02 0.51 -0.36 117.35 120.03 1bld s TYR 82 Ca -0.02 0.75 -0.25 0.00 -0.37 0.00 0.00 57.07 57.18 1bld s TYR 82 Cb 0.01 -2.44 -0.08 0.00 -0.40 0.00 0.00 41.96 39.04 1bld s TYR 82 CO -0.06 0.22 1.42 -0.11 -1.57 0.00 0.00 175.55 175.45 1bld n LEU 83 N 3.57 5.16 -4.07 -1.29 7.94 -1.24 -1.73 117.00 125.34 1bld n LEU 83 Ca -0.09 1.10 -0.10 0.00 -1.11 0.00 0.00 56.01 55.81 1bld n LEU 83 Cb 0.52 -1.60 -0.07 0.00 0.53 0.00 0.00 43.42 42.80 1bld n LEU 83 CO 0.41 -0.21 0.04 0.00 -1.11 0.00 0.00 177.39 176.53 1bld s ALA 84 N -1.20 0.24 -0.04 1.96 0.00 0.12 -4.33 121.76 118.51 1bld s ALA 84 Ca 0.62 -1.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 1bld s ALA 84 Cb -0.45 1.18 0.03 0.00 0.00 0.00 0.00 23.12 23.88 1bld s ALA 84 CO 0.57 -0.77 0.04 1.41 0.00 0.00 0.00 175.76 177.01 1bld s MET 85 N -4.04 0.04 0.89 0.00 1.75 -1.19 -1.81 119.30 114.94 1bld s MET 85 Ca 0.28 0.30 -0.15 0.00 -1.25 0.00 0.00 55.69 54.87 1bld s MET 85 Cb 0.02 -0.53 0.23 0.00 2.84 0.00 0.00 34.83 37.39 1bld s MET 85 CO 0.10 -0.29 0.52 1.63 -0.65 0.00 0.00 175.02 176.33 1bld n LYS 86 N 5.05 -3.66 0.02 4.11 4.76 -0.19 -4.89 118.16 123.35 1bld n LYS 86 Ca -0.09 -0.87 0.12 0.00 -2.87 0.00 0.00 58.31 54.61 1bld n LYS 86 Cb 0.50 -1.14 0.26 0.00 -1.84 0.00 0.00 35.03 32.81 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 -4.20 0.10 -0.03 1.97 1.02 -1.26 -3.97 120.64 114.27 1bld n GLU 87 Ca 0.08 0.03 -0.18 0.00 -0.02 0.00 0.00 57.16 57.07 1bld n GLU 87 Cb 0.36 -1.57 -0.14 0.00 -0.02 0.00 0.00 31.44 30.07 1bld n GLU 87 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1bld n ASP 88 N -1.72 1.81 0.00 1.62 5.68 -1.26 -4.98 116.55 117.70 1bld n ASP 88 Ca 0.05 0.17 0.00 0.00 -0.50 0.00 0.00 54.79 54.50 1bld n ASP 88 Cb 0.37 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 1bld n ASP 88 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bld n GLY 89 N 1.97 0.35 3.69 6.12 0.00 -1.25 -4.56 105.19 111.50 1bld n GLY 89 Ca -0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.07 1.61 0.52 -1.26 -3.36 118.95 120.61 1bld s ARG 90 Ca 0.00 2.23 -0.16 0.00 -0.52 0.00 0.00 55.73 57.28 1bld s ARG 90 Cb 0.00 -3.63 -0.05 0.00 0.52 0.00 0.00 34.95 31.79 1bld s ARG 90 CO 0.00 -0.71 0.44 -0.51 0.02 0.00 0.00 175.30 174.54 1bld s LEU 91 N 2.73 4.36 0.00 2.53 1.02 -1.26 -1.03 118.68 127.04 1bld s LEU 91 Ca 0.72 0.86 -0.01 0.00 0.02 0.00 0.00 54.13 55.72 1bld s LEU 91 Cb -0.37 -2.63 0.00 0.00 0.02 0.00 0.00 46.19 43.21 1bld s LEU 91 CO 0.31 0.15 0.08 0.00 0.02 0.00 0.00 176.35 176.91 1bld n LEU 92 N 2.85 0.00 -3.92 1.79 -0.00 -0.75 -3.85 117.00 113.12 1bld n LEU 92 Ca -0.10 -0.45 -0.10 0.00 -0.00 0.00 0.00 56.01 55.36 1bld n LEU 92 Cb 0.52 0.43 -0.10 0.00 -0.00 0.00 0.00 43.42 44.27 1bld n LEU 92 CO 0.41 -0.11 -0.25 0.00 -0.00 0.00 0.00 177.39 177.43 1bld s ALA 93 N -1.68 -0.12 -0.02 1.47 0.00 -1.23 0.16 121.76 120.34 1bld s ALA 93 Ca 0.04 -0.36 -0.09 0.00 0.00 0.00 0.00 51.96 51.55 1bld s ALA 93 Cb -0.00 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.27 1bld s ALA 93 CO 0.03 -0.20 0.20 0.45 0.00 0.00 0.00 175.76 176.24 1bld s SER 94 N -1.48 -0.08 0.44 0.00 0.15 -0.71 -4.79 113.70 107.22 1bld s SER 94 Ca -0.15 0.01 0.30 0.00 0.70 0.00 0.00 55.95 56.82 1bld s SER 94 Cb -0.08 0.29 1.41 0.00 -1.71 0.00 0.00 66.02 65.92 1bld s SER 94 CO 0.00 -0.33 1.91 0.11 1.20 0.00 0.00 173.24 176.13 1bld h LYS 95 N 4.50 0.00 -6.21 5.44 1.57 -1.88 0.15 116.57 120.15 1bld h LYS 95 Ca -0.29 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.91 1bld h LYS 95 Cb 1.19 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.46 1bld h LYS 95 CO 0.40 0.00 -0.08 -1.54 -0.57 0.00 0.00 179.45 177.66 1bld s SER 96 N -4.82 6.98 -0.76 0.86 1.04 -1.26 -4.74 113.70 110.99 1bld s SER 96 Ca 0.00 1.17 -0.18 0.00 0.48 0.00 0.00 55.95 57.42 1bld s SER 96 Cb 0.09 -2.33 0.13 0.00 0.10 0.00 0.00 66.02 64.02 1bld s SER 96 CO 0.40 0.26 0.90 -0.69 0.98 0.00 0.00 173.24 175.09 1bld s VAL 97 N -1.16 4.87 0.34 5.02 1.01 -1.26 -4.73 120.40 124.49 1bld s VAL 97 Ca 0.29 -1.39 -0.04 0.00 0.00 0.00 0.00 61.98 60.84 1bld s VAL 97 Cb -0.18 -4.62 -0.04 0.00 0.00 0.00 0.00 36.38 31.54 1bld s VAL 97 CO 0.18 -1.29 0.60 0.42 0.00 0.00 0.00 175.10 175.01 1bld s THR 98 N 2.40 5.02 0.64 3.92 -4.23 -1.26 -4.92 115.64 117.21 1bld s THR 98 Ca 0.22 -0.03 0.23 0.00 -1.18 0.00 0.00 61.69 60.92 1bld s THR 98 Cb -0.14 -3.79 0.26 0.00 1.34 0.00 0.00 72.50 70.17 1bld s THR 98 CO -0.02 -0.49 1.66 -0.78 -0.54 0.00 0.00 174.62 174.45 1bld h ASP 99 N 1.16 0.00 -1.19 3.99 1.82 -2.02 -0.30 116.42 119.88 1bld h ASP 99 Ca -0.48 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 55.61 1bld h ASP 99 Cb 1.20 0.00 -0.20 0.00 0.68 0.00 0.00 39.33 41.01 1bld h ASP 99 CO 0.64 0.00 0.55 -0.62 -1.61 0.00 0.00 179.24 178.20 1bld n GLU 100 N -3.01 2.42 0.00 0.28 4.71 -1.26 -3.92 120.64 119.86 1bld n GLU 100 Ca 0.03 -2.55 0.00 0.00 -0.01 0.00 0.00 57.16 54.63 1bld n GLU 100 Cb 0.68 -2.12 0.00 0.00 -1.01 0.00 0.00 31.44 28.99 1bld n GLU 100 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1bld s PHE 102 N -0.01 3.46 -0.20 0.00 0.08 -1.25 -4.45 117.98 115.61 1bld s PHE 102 Ca 0.00 0.07 -0.05 0.00 0.12 0.00 0.00 56.93 57.07 1bld s PHE 102 Cb 0.00 -1.64 0.10 0.00 -0.57 0.00 0.00 43.02 40.91 1bld s PHE 102 CO 0.00 0.38 0.35 -0.06 -0.10 0.00 0.00 175.22 175.79 1bld s PHE 103 N -2.04 -0.68 0.60 0.36 0.40 -1.26 -3.13 117.98 112.23 1bld s PHE 103 Ca 0.35 1.05 -0.19 0.00 -0.60 0.00 0.00 56.93 57.55 1bld s PHE 103 Cb -0.09 0.08 -0.05 0.00 0.51 0.00 0.00 43.02 43.46 1bld s PHE 103 CO 0.30 -0.55 0.97 1.19 0.70 0.00 0.00 175.22 177.83 1bld n PHE 104 N 5.37 0.84 -3.82 0.36 3.72 0.07 -3.89 117.46 120.10 1bld n PHE 104 Ca -0.06 0.44 -0.30 0.00 -0.05 0.00 0.00 57.45 57.48 1bld n PHE 104 Cb 0.50 -2.14 -0.13 0.00 -0.94 0.00 0.00 39.48 36.76 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 -2.73 1.60 -0.20 -1.08 -6.30 -1.18 -1.22 118.70 107.59 1bld s GLU 105 Ca 0.75 -2.28 -0.15 0.00 -2.50 0.00 0.00 54.97 50.79 1bld s GLU 105 Cb -0.42 -2.79 -0.04 0.00 0.00 0.00 0.00 34.13 30.88 1bld s GLU 105 CO 0.47 -1.13 0.37 0.50 0.02 0.00 0.00 175.26 175.49 1bld s ARG 106 N 0.07 4.18 -0.19 4.30 3.52 -0.95 -4.91 118.95 124.97 1bld s ARG 106 Ca 0.17 0.16 -0.16 0.00 -0.13 0.00 0.00 55.73 55.78 1bld s ARG 106 Cb -0.25 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.58 1bld s ARG 106 CO 0.00 0.01 0.40 -1.17 -0.81 0.00 0.00 175.30 173.73 1bld s LEU 107 N 1.16 4.17 0.57 -0.88 0.20 -1.26 -1.69 118.68 120.94 1bld s LEU 107 Ca 0.18 0.54 0.01 0.00 0.69 0.00 0.00 54.13 55.55 1bld s LEU 107 Cb -0.14 -2.53 0.04 0.00 -0.43 0.00 0.00 46.19 43.13 1bld s LEU 107 CO 0.07 -0.07 0.80 -1.61 -0.29 0.00 0.00 176.35 175.25 1bld s GLU 108 N 1.24 2.50 -1.56 1.98 2.02 -1.15 -4.95 118.70 118.77 1bld s GLU 108 Ca 0.20 -0.74 -0.11 0.00 0.02 0.00 0.00 54.97 54.33 1bld s GLU 108 Cb -0.15 -2.46 -0.05 0.00 0.10 0.00 0.00 34.13 31.57 1bld s GLU 108 CO 0.08 -0.77 2.74 0.43 0.02 0.00 0.00 175.26 177.76 1bld n SER 109 N -2.40 7.27 -0.58 -0.19 7.64 -1.26 -3.69 113.62 120.42 1bld n SER 109 Ca 0.08 -2.64 -0.01 0.00 1.01 0.00 0.00 58.87 57.30 1bld n SER 109 Cb 0.60 -1.58 -0.01 0.00 -1.01 0.00 0.00 64.21 62.21 1bld n SER 109 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1bld n ASN 110 N 4.34 -0.16 0.00 6.43 0.23 -1.26 -4.96 115.26 119.88 1bld n ASN 110 Ca 0.70 -1.17 0.00 0.00 -0.53 0.00 0.00 54.58 53.59 1bld n ASN 110 Cb 0.28 0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.02 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 0.00 0.00 -4.79 0.53 3.02 -1.24 -4.91 115.26 107.87 1bld n ASN 111 Ca -0.05 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.14 1bld n ASN 111 Cb 0.53 -1.51 -0.07 0.00 -0.61 0.00 0.00 39.78 38.12 1bld n ASN 111 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1bld s TYR 112 N -1.40 3.53 0.51 3.10 2.02 -1.26 -4.92 117.35 118.94 1bld s TYR 112 Ca 0.00 0.58 0.03 0.00 -0.37 0.00 0.00 57.07 57.32 1bld s TYR 112 Cb 0.00 -2.18 0.03 0.00 -0.40 0.00 0.00 41.96 39.41 1bld s TYR 112 CO 0.00 0.46 0.71 -0.80 -1.57 0.00 0.00 175.55 174.35 1bld s ASN 113 N -0.24 5.39 -0.11 2.29 -0.87 -0.95 -2.94 114.94 117.51 1bld s ASN 113 Ca 0.15 -0.14 -0.04 0.00 -1.57 0.00 0.00 52.86 51.26 1bld s ASN 113 Cb -0.13 -0.80 0.05 0.00 -0.02 0.00 0.00 41.25 40.35 1bld s ASN 113 CO 0.04 -1.03 0.08 0.42 -2.57 0.00 0.00 177.10 174.05 1bld s THR 114 N -2.63 -0.11 -0.34 1.60 -4.23 -0.68 -2.08 115.64 107.16 1bld s THR 114 Ca 0.57 0.11 -0.20 0.00 -1.18 0.00 0.00 61.69 60.98 1bld s THR 114 Cb -0.10 -0.38 -0.00 0.00 1.34 0.00 0.00 72.50 73.35 1bld s THR 114 CO 0.37 -0.07 0.64 -0.31 -0.54 0.00 0.00 174.62 174.71 1bld s TYR 115 N 2.16 3.17 0.08 3.99 2.02 -1.26 -2.23 117.35 125.28 1bld s TYR 115 Ca 0.03 0.41 0.01 0.00 -0.37 0.00 0.00 57.07 57.15 1bld s TYR 115 Cb -0.14 -3.11 -0.04 0.00 -0.40 0.00 0.00 41.96 38.27 1bld s TYR 115 CO -0.06 -0.59 0.21 1.03 -1.57 0.00 0.00 175.55 174.56 1bld s ARG 116 N 2.69 3.38 0.90 -0.62 0.52 -0.36 -2.51 118.95 122.96 1bld s ARG 116 Ca 0.25 -0.49 -0.11 0.00 -0.52 0.00 0.00 55.73 54.85 1bld s ARG 116 Cb -0.15 -2.99 0.13 0.00 0.52 0.00 0.00 34.95 32.46 1bld s ARG 116 CO 0.14 0.59 1.09 0.45 0.02 0.00 0.00 175.30 177.59 1bld s SER 117 N -2.63 3.36 -0.13 0.23 0.15 -1.06 -0.75 113.70 112.87 1bld s SER 117 Ca 0.34 1.69 -0.11 0.00 0.70 0.00 0.00 55.95 58.57 1bld s SER 117 Cb -0.13 -2.33 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 1bld s SER 117 CO 0.27 -2.74 -0.22 -1.14 1.20 0.00 0.00 173.24 170.62 1bld n ARG 118 N -3.97 0.41 0.13 5.44 3.00 -1.18 -3.94 116.66 116.54 1bld n ARG 118 Ca 0.08 0.34 -0.13 0.00 -0.00 0.00 0.00 57.85 58.14 1bld n ARG 118 Cb 0.54 -1.41 -0.08 0.00 0.00 0.00 0.00 32.46 31.51 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 -0.83 -0.34 -2.59 -0.14 1.63 -1.86 -3.28 116.57 109.17 1bld h LYS 119 Ca 0.00 0.02 -0.78 0.00 -0.85 0.00 0.00 60.65 59.04 1bld h LYS 119 Cb 0.62 0.08 -0.22 0.00 -0.60 0.00 0.00 32.23 32.11 1bld h LYS 119 CO 0.00 -0.00 1.50 0.66 -3.45 0.00 0.00 179.45 178.16 1bld n TYR 120 N -5.09 2.64 0.00 1.91 4.01 -1.26 -4.76 117.16 114.61 1bld n TYR 120 Ca -0.09 -2.66 0.00 0.00 -0.16 0.00 0.00 57.90 54.99 1bld n TYR 120 Cb 0.26 -1.47 0.00 0.00 -0.31 0.00 0.00 39.34 37.82 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 1.01 0.00 0.49 -0.72 -2.24 -1.24 -1.54 114.28 110.04 1bld n THR 121 Ca 0.47 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.30 1bld n THR 121 Cb 0.28 -0.88 0.17 0.00 -2.10 0.00 0.00 70.33 67.80 1bld n THR 121 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1bld n SER 122 N -0.81 2.57 -3.65 3.42 7.64 -1.26 -4.79 113.62 116.74 1bld n SER 122 Ca 0.00 -2.23 -0.15 0.00 1.01 0.00 0.00 58.87 57.50 1bld n SER 122 Cb 0.00 -0.42 -0.08 0.00 -1.01 0.00 0.00 64.21 62.71 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 -1.69 -0.49 0.41 1.43 0.51 -0.59 -4.96 118.94 113.57 1bld s TRP 123 Ca 0.25 0.97 0.08 0.00 -2.12 0.00 0.00 56.10 55.27 1bld s TRP 123 Cb 0.16 0.24 -0.01 0.00 -0.81 0.00 0.00 33.47 33.05 1bld s TRP 123 CO 0.12 -0.43 0.43 0.71 -0.51 0.00 0.00 176.95 177.26 1bld s TYR 124 N -0.72 2.77 -0.15 -1.98 1.51 -1.26 -2.56 117.35 114.95 1bld s TYR 124 Ca -0.08 -0.44 -0.23 0.00 -1.01 0.00 0.00 57.07 55.31 1bld s TYR 124 Cb -0.03 -2.19 -0.03 0.00 -0.11 0.00 0.00 41.96 39.60 1bld s TYR 124 CO 0.05 -0.18 0.70 0.08 -1.11 0.00 0.00 175.55 175.10 1bld s VAL 125 N -2.42 4.99 0.06 0.71 1.01 -1.04 -4.78 120.40 118.93 1bld s VAL 125 Ca 0.49 1.38 -0.10 0.00 0.00 0.00 0.00 61.98 63.75 1bld s VAL 125 Cb -0.05 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.31 1bld s VAL 125 CO 0.29 0.13 0.22 0.00 0.00 0.00 0.00 175.10 175.75 1bld s ALA 126 N 1.62 -0.40 0.46 5.51 0.00 -1.26 -4.49 121.76 123.20 1bld s ALA 126 Ca 0.34 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.01 1bld s ALA 126 Cb -0.17 0.36 0.03 0.00 0.00 0.00 0.00 23.12 23.34 1bld s ALA 126 CO 0.13 -0.42 0.25 1.28 0.00 0.00 0.00 175.76 177.00 1bld n LEU 127 N 0.43 0.00 0.00 0.00 4.77 -1.26 -3.24 117.00 117.70 1bld n LEU 127 Ca -0.18 -2.55 0.00 0.00 -0.03 0.00 0.00 56.01 53.25 1bld n LEU 127 Cb 0.60 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1bld n LEU 127 CO 0.22 -0.50 0.00 0.29 -1.33 0.00 0.00 177.39 176.07 1bld n LYS 128 N -1.46 0.00 0.00 3.23 5.02 0.31 -4.34 118.16 120.92 1bld n LYS 128 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1bld n LYS 128 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 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 0.01 -0.09 1.97 1.85 -1.26 -4.79 116.66 114.34 1bld n ARG 129 Ca 0.00 -0.23 0.04 0.00 -1.00 0.00 0.00 57.85 56.65 1bld n ARG 129 Cb 0.00 -0.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.96 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 -0.00 1.05 -0.27 8.89 5.66 -1.26 -4.94 114.28 123.41 1bld n THR 130 Ca 0.00 -1.18 0.00 0.00 -3.05 0.00 0.00 64.05 59.82 1bld n THR 130 Cb 0.36 0.31 0.00 0.00 -1.55 0.00 0.00 70.33 69.45 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 -0.70 0.78 3.94 1.09 0.00 -1.26 -4.98 105.19 104.06 1bld n GLY 131 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.73 3.23 -0.26 1.61 -1.52 -1.26 -1.35 119.66 119.38 1bld s GLN 132 Ca 0.00 -0.37 -0.17 0.00 -1.95 0.00 0.00 55.36 52.87 1bld s GLN 132 Cb 0.00 -2.57 -0.03 0.00 -0.22 0.00 0.00 33.01 30.19 1bld s GLN 132 CO 0.00 -0.15 0.47 1.52 -0.25 0.00 0.00 175.29 176.88 1bld s TYR 133 N -2.51 3.27 0.22 0.91 1.13 -1.26 -0.53 117.35 118.57 1bld s TYR 133 Ca 0.46 0.58 -0.30 0.00 -1.41 0.00 0.00 57.07 56.40 1bld s TYR 133 Cb -0.10 -2.67 -0.09 0.00 -1.10 0.00 0.00 41.96 38.00 1bld s TYR 133 CO 0.38 -0.25 1.28 0.21 -2.51 0.00 0.00 175.55 174.66 1bld s LYS 134 N 2.19 4.41 0.97 -3.49 2.20 -1.20 -4.74 119.74 120.08 1bld s LYS 134 Ca 0.19 2.03 -0.14 0.00 -0.36 0.00 0.00 55.97 57.69 1bld s LYS 134 Cb -0.16 -3.19 -0.03 0.00 -1.51 0.00 0.00 37.83 32.94 1bld s LYS 134 CO 0.09 -0.20 -0.06 -0.11 -0.36 0.00 0.00 175.35 174.72 1bld n LEU 135 N 2.33 -2.46 -1.08 5.43 7.94 -1.26 -4.78 117.00 123.12 1bld n LEU 135 Ca 0.05 0.27 -0.02 0.00 -1.11 0.00 0.00 56.01 55.20 1bld n LEU 135 Cb 0.43 -1.03 0.08 0.00 0.53 0.00 0.00 43.42 43.43 1bld n LEU 135 CO 0.57 -4.56 0.55 0.61 -1.11 0.00 0.00 177.39 173.45 1bld n GLY 136 N 2.26 2.24 0.47 -3.96 0.00 -1.21 -3.82 105.19 101.17 1bld n GLY 136 Ca 0.03 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.73 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 0.12 1.77 0.00 1.61 3.41 -1.26 -4.56 113.62 114.71 1bld n SER 137 Ca 0.11 0.03 0.09 0.00 -0.26 0.00 0.00 58.87 58.84 1bld n SER 137 Cb 0.64 -0.16 0.45 0.00 -0.26 0.00 0.00 64.21 64.88 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 -3.04 0.29 -1.92 4.33 5.02 -1.25 -4.77 118.16 116.83 1bld n LYS 138 Ca -0.13 0.10 -0.33 0.00 -2.02 0.00 0.00 58.31 55.94 1bld n LYS 138 Cb 0.61 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.14 1bld n LYS 138 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1bld s THR 139 N -2.49 3.69 0.00 -0.18 -4.23 -1.26 -4.99 115.64 106.18 1bld s THR 139 Ca 0.18 0.77 0.00 0.00 -1.18 0.00 0.00 61.69 61.45 1bld s THR 139 Cb 0.12 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1bld s THR 139 CO 0.25 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 1bld n GLY 140 N -0.97 -0.47 3.44 3.99 0.00 -1.26 -4.75 105.19 105.16 1bld n GLY 140 Ca 0.09 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.40 1bld n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bld s PRO 141 N -1.84 -1.48 0.00 1.61 0.04 -1.26 -3.55 135.00 128.51 1bld s PRO 141 Ca 0.00 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.72 1bld s PRO 141 Cb 0.00 -1.50 0.00 0.00 0.04 0.00 0.00 34.50 33.04 1bld s PRO 141 CO 0.00 -4.06 0.00 0.41 0.04 0.00 0.00 177.00 173.39 1bld n GLY 142 N 1.00 1.96 3.74 0.56 0.00 -1.26 -4.97 105.19 106.23 1bld n GLY 142 Ca 0.04 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 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 4.47 0.00 1.61 -1.52 -1.23 -4.92 119.66 118.06 1bld s GLN 143 Ca 0.00 1.01 0.20 0.00 -1.95 0.00 0.00 55.36 54.61 1bld s GLN 143 Cb 0.00 -3.38 1.10 0.00 -0.22 0.00 0.00 33.01 30.52 1bld s GLN 143 CO 0.00 0.25 1.72 1.63 -0.25 0.00 0.00 175.29 178.64 1bld n LYS 144 N 2.97 1.10 0.00 2.91 5.02 -1.26 -3.69 118.16 125.21 1bld n LYS 144 Ca -0.03 -0.16 0.01 0.00 -2.02 0.00 0.00 58.31 56.12 1bld n LYS 144 Cb 0.50 -1.32 0.04 0.00 -0.02 0.00 0.00 35.03 34.24 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 -0.64 1.09 1.21 7.82 0.00 -1.26 -0.26 120.51 128.47 1bld n ALA 145 Ca 0.15 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.71 1bld n ALA 145 Cb 0.10 -1.03 0.38 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.50 0.11 -3.11 0.00 -5.35 -1.24 -4.57 119.36 103.70 1bld n ILE 146 Ca 0.00 -0.37 -0.45 0.00 -0.27 0.00 0.00 62.75 61.66 1bld n ILE 146 Cb 0.02 0.68 -0.02 0.00 -1.74 0.00 0.00 39.64 38.57 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 -1.82 5.81 0.52 7.28 1.43 0.64 -4.12 118.68 128.43 1bld s LEU 147 Ca 0.35 -2.29 0.01 0.00 -1.03 0.00 0.00 54.13 51.17 1bld s LEU 147 Cb 0.20 -2.31 0.02 0.00 0.03 0.00 0.00 46.19 44.13 1bld s LEU 147 CO 0.31 -0.85 0.74 -0.36 0.23 0.00 0.00 176.35 176.41 1bld s PHE 148 N 1.60 2.94 -0.40 0.29 0.40 -0.88 -3.32 117.98 118.61 1bld s PHE 148 Ca 0.25 0.03 0.08 0.00 -0.60 0.00 0.00 56.93 56.69 1bld s PHE 148 Cb -0.08 -2.63 0.24 0.00 0.51 0.00 0.00 43.02 41.06 1bld s PHE 148 CO -0.08 -0.73 0.53 -0.11 0.70 0.00 0.00 175.22 175.52 1bld n LEU 149 N -2.26 -0.03 -4.57 -0.37 7.94 -0.64 -2.24 117.00 114.83 1bld n LEU 149 Ca 0.06 -4.60 -0.39 0.00 -1.11 0.00 0.00 56.01 49.97 1bld n LEU 149 Cb 0.59 0.64 -0.03 0.00 0.53 0.00 0.00 43.42 45.16 1bld n LEU 149 CO 0.45 2.05 1.81 -2.84 -1.11 0.00 0.00 177.39 177.76 1bld s PRO 150 N -1.01 2.64 -0.21 1.96 0.02 -1.26 -3.76 135.00 133.38 1bld s PRO 150 Ca 0.35 1.37 -0.15 0.00 0.02 0.00 0.00 61.00 62.59 1bld s PRO 150 Cb 0.16 -4.43 -0.04 0.00 0.02 0.00 0.00 34.50 30.21 1bld s PRO 150 CO -0.12 -2.68 0.35 -1.64 -0.33 0.00 0.00 177.00 172.59 1bld s MET 151 N 7.16 4.16 0.21 5.54 -1.94 -1.05 -4.87 119.30 128.51 1bld s MET 151 Ca 0.89 0.12 -0.30 0.00 -1.71 0.00 0.00 55.69 54.68 1bld s MET 151 Cb -0.20 -3.53 -0.09 0.00 2.01 0.00 0.00 34.83 33.01 1bld s MET 151 CO 0.28 -0.01 1.28 0.45 -0.01 0.00 0.00 175.02 177.01 1bld s SER 152 N 1.03 6.93 -1.13 3.03 0.15 -1.26 -2.51 113.70 119.94 1bld s SER 152 Ca 0.17 2.40 -0.03 0.00 0.70 0.00 0.00 55.95 59.19 1bld s SER 152 Cb -0.14 -2.61 0.26 0.00 -1.71 0.00 0.00 66.02 61.81 1bld s SER 152 CO 0.07 -0.49 1.93 0.00 1.20 0.00 0.00 173.24 175.96 1bld n ALA 153 N 2.35 6.11 -0.73 5.45 0.00 -1.22 -4.82 120.51 127.65 1bld n ALA 153 Ca 0.05 -4.49 0.00 0.00 0.00 0.00 0.00 53.44 49.00 1bld n ALA 153 Cb 0.43 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.47 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 0.82 0.00 0.00 0.00 5.02 -1.26 -4.89 118.16 117.85 1bld n LYS 154 Ca 0.48 0.26 0.15 0.00 -2.02 0.00 0.00 58.31 57.18 1bld n LYS 154 Cb 0.27 -1.14 0.67 0.00 -0.02 0.00 0.00 35.03 34.81 1bld n LYS 154 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75