#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 -1.74 -1.22 3.04 0.00 -1.26 -5.05 121.76 115.53 1bld s ALA 2 Ca 0.00 1.71 -0.05 0.00 0.00 0.00 0.00 51.96 53.62 1bld s ALA 2 Cb 0.00 -1.80 0.13 0.00 0.00 0.00 0.00 23.12 21.46 1bld s ALA 2 CO 0.00 -1.10 2.37 0.39 0.00 0.00 0.00 175.76 177.42 1bld n GLU 3 N 5.41 4.49 0.00 0.00 4.71 -1.26 -4.78 120.64 129.22 1bld n GLU 3 Ca -0.06 -3.48 0.00 0.00 -0.01 0.00 0.00 57.16 53.61 1bld n GLU 3 Cb 0.50 -2.58 0.00 0.00 -1.01 0.00 0.00 31.44 28.35 1bld n GLU 3 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1bld n GLY 4 N 1.48 -3.02 0.00 0.62 0.00 -1.26 -5.01 105.19 97.99 1bld n GLY 4 Ca 0.60 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1bld n GLY 4 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1bld n GLU 5 N 0.00 0.00 -2.61 1.61 2.13 -1.26 -4.70 120.64 115.81 1bld n GLU 5 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 1bld n GLU 5 Cb 0.00 -0.12 0.01 0.00 0.27 0.00 0.00 31.44 31.60 1bld n GLU 5 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1bld n ILE 6 N -0.76 5.72 -2.93 6.31 -0.00 -1.26 -4.88 119.36 121.56 1bld n ILE 6 Ca 0.00 -5.65 -0.01 0.00 -0.00 0.00 0.00 62.75 57.09 1bld n ILE 6 Cb 0.00 -1.79 -0.01 0.00 -0.00 0.00 0.00 39.64 37.83 1bld n ILE 6 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 1bld n THR 7 N 0.71 -6.22 -3.60 1.39 -2.24 -1.26 -4.99 114.28 98.06 1bld n THR 7 Ca 0.44 1.15 -0.26 0.00 -2.27 0.00 0.00 64.05 63.10 1bld n THR 7 Cb 0.28 -4.46 -0.17 0.00 -2.10 0.00 0.00 70.33 63.88 1bld n THR 7 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1bld s THR 8 N -0.78 -0.09 0.31 4.28 2.01 -1.26 -4.97 115.64 115.14 1bld s THR 8 Ca -0.06 -0.25 0.07 0.00 0.31 0.00 0.00 61.69 61.75 1bld s THR 8 Cb 0.00 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.86 1bld s THR 8 CO 0.34 -0.35 0.34 -1.48 -0.69 0.00 0.00 174.62 172.78 1bld s LEU 9 N 2.14 3.82 -0.27 4.42 2.34 -1.26 -4.75 118.68 125.12 1bld s LEU 9 Ca 0.03 -0.30 -0.30 0.00 0.06 0.00 0.00 54.13 53.62 1bld s LEU 9 Cb -0.16 -2.47 -0.07 0.00 -0.56 0.00 0.00 46.19 42.93 1bld s LEU 9 CO -0.13 -0.30 2.23 -2.65 -1.06 0.00 0.00 176.35 174.43 1bld n PRO 10 N -1.43 1.65 -1.74 1.48 -0.01 -1.26 -4.87 135.00 128.81 1bld n PRO 10 Ca -0.03 0.43 -0.02 0.00 -0.01 0.00 0.00 63.50 63.87 1bld n PRO 10 Cb 0.59 -3.02 0.01 0.00 -0.01 0.00 0.00 33.50 31.07 1bld n PRO 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bld n ALA 11 N 11.38 -0.40 -2.85 3.55 0.00 -1.26 -5.11 120.51 125.82 1bld n ALA 11 Ca 0.34 -0.33 -0.12 0.00 0.00 0.00 0.00 53.44 53.34 1bld n ALA 11 Cb 0.39 0.26 0.03 0.00 0.00 0.00 0.00 19.45 20.12 1bld n ALA 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1bld n LEU 12 N 0.00 -2.08 -4.75 0.00 7.94 -1.26 -4.96 117.00 111.90 1bld n LEU 12 Ca -0.02 -3.70 -0.37 0.00 -1.11 0.00 0.00 56.01 50.81 1bld n LEU 12 Cb 0.15 0.81 0.04 0.00 0.53 0.00 0.00 43.42 44.95 1bld n LEU 12 CO 0.07 2.04 0.87 -2.16 -1.11 0.00 0.00 177.39 177.10 1bld s PRO 13 N 0.15 2.86 -0.33 1.96 0.05 -1.26 -5.01 135.00 133.42 1bld s PRO 13 Ca 0.32 1.94 -0.08 0.00 0.05 0.00 0.00 61.00 63.22 1bld s PRO 13 Cb 0.23 -1.94 0.19 0.00 0.05 0.00 0.00 34.50 33.03 1bld s PRO 13 CO -0.19 -1.32 1.02 -2.00 0.05 0.00 0.00 177.00 174.56 1bld s GLU 14 N -3.30 0.21 -0.02 4.56 2.12 -1.26 -4.81 118.70 116.21 1bld s GLU 14 Ca 0.79 -0.06 0.15 0.00 0.36 0.00 0.00 54.97 56.21 1bld s GLU 14 Cb -0.34 0.03 -0.20 0.00 0.26 0.00 0.00 34.13 33.89 1bld s GLU 14 CO 0.36 -0.31 0.67 -0.25 -0.54 0.00 0.00 175.26 175.19 1bld n ASP 15 N 3.82 0.76 -3.04 -1.70 8.00 -1.26 -4.26 116.55 118.87 1bld n ASP 15 Ca 0.06 0.35 -0.35 0.00 0.71 0.00 0.00 54.79 55.56 1bld n ASP 15 Cb 0.63 0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 41.88 1bld n ASP 15 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bld n GLY 16 N 1.50 4.99 0.00 0.44 0.00 -1.26 -4.87 105.19 105.99 1bld n GLY 16 Ca -0.15 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.79 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 0.99 -2.07 3.36 -0.02 0.00 -1.26 -4.54 105.19 101.65 1bld n GLY 17 Ca 0.55 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.40 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 -4.65 0.00 1.61 2.88 -1.26 -1.87 113.62 110.32 1bld n SER 18 Ca 0.00 -0.70 0.00 0.00 -1.33 0.00 0.00 58.87 56.84 1bld n SER 18 Cb 0.00 -5.04 0.00 0.00 -0.75 0.00 0.00 64.21 58.42 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 -1.23 1.06 3.51 0.46 0.00 -1.26 -4.31 105.19 103.41 1bld n GLY 19 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.03 4.61 0.00 -0.78 -4.80 120.51 119.50 1bld n ALA 20 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1bld n ALA 20 Cb 0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 19.45 18.64 1bld n ALA 20 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1bld h PHE 21 N 0.00 0.22 -3.76 0.00 0.04 -1.86 -3.47 116.94 108.11 1bld h PHE 21 Ca 0.00 -0.16 -0.46 0.00 2.80 0.00 0.00 57.97 60.15 1bld h PHE 21 Cb 0.08 -0.01 0.17 0.00 2.20 0.00 0.00 35.95 38.39 1bld h PHE 21 CO 0.05 1.26 0.16 -1.25 -0.60 0.00 0.00 178.31 177.92 1bld s PRO 22 N -2.34 0.23 0.12 1.51 0.05 -1.26 -4.80 135.00 128.51 1bld s PRO 22 Ca -0.19 0.72 -0.02 0.00 0.05 0.00 0.00 61.00 61.56 1bld s PRO 22 Cb 0.01 -1.70 0.03 0.00 0.05 0.00 0.00 34.50 32.89 1bld s PRO 22 CO 0.73 -2.91 0.07 -2.30 0.05 0.00 0.00 177.00 172.63 1bld n PRO 23 N -4.33 -1.68 -2.74 0.56 -0.01 -1.26 -4.51 135.00 121.03 1bld n PRO 23 Ca 0.05 -0.12 -0.06 0.00 -0.01 0.00 0.00 63.50 63.36 1bld n PRO 23 Cb 0.56 -0.16 0.02 0.00 -0.01 0.00 0.00 33.50 33.90 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 -0.43 0.52 0.59 -1.23 0.00 -1.26 -4.92 105.19 98.47 1bld n GLY 24 Ca 0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.00 0.00 -2.57 1.61 -0.00 -1.26 -4.93 115.22 105.07 1bld n HIS 25 Ca -0.01 -0.08 -0.08 0.00 -0.00 0.00 0.00 57.72 57.55 1bld n HIS 25 Cb 0.52 0.26 0.04 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 0.01 1.76 0.24 1.57 3.01 -1.26 -4.82 117.46 117.96 1bld n PHE 26 Ca -0.04 -2.19 0.05 0.00 1.01 0.00 0.00 57.45 56.28 1bld n PHE 26 Cb 0.56 -0.27 0.21 0.00 -0.01 0.00 0.00 39.48 39.97 1bld n PHE 26 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1bld n LYS 27 N -0.63 2.70 -3.63 -1.08 2.85 -1.26 -4.87 118.16 112.24 1bld n LYS 27 Ca 0.19 -1.63 -0.15 0.00 -1.05 0.00 0.00 58.31 55.67 1bld n LYS 27 Cb 0.85 -1.69 -0.07 0.00 -0.65 0.00 0.00 35.03 33.47 1bld n LYS 27 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1bld s ASP 28 N -0.64 -0.40 1.23 -5.58 1.01 -1.26 -5.15 116.67 105.87 1bld s ASP 28 Ca 0.29 0.27 -0.16 0.00 0.71 0.00 0.00 52.55 53.66 1bld s ASP 28 Cb 0.20 0.44 0.28 0.00 1.01 0.00 0.00 42.92 44.85 1bld s ASP 28 CO 0.12 -0.60 0.77 -0.81 0.21 0.00 0.00 175.17 174.86 1bld n PRO 29 N 0.80 -2.88 -3.71 8.23 -0.04 -1.26 -4.74 135.00 131.40 1bld n PRO 29 Ca -0.19 -0.83 -0.12 0.00 -0.04 0.00 0.00 63.50 62.32 1bld n PRO 29 Cb 0.58 -2.00 -0.12 0.00 -0.04 0.00 0.00 33.50 31.92 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 -4.28 0.25 -0.23 0.54 1.02 -1.12 -3.24 119.74 112.68 1bld s LYS 30 Ca 0.65 0.65 -0.24 0.00 0.02 0.00 0.00 55.97 57.04 1bld s LYS 30 Cb -0.20 -0.07 -0.01 0.00 -0.52 0.00 0.00 37.83 37.04 1bld s LYS 30 CO 0.63 -0.18 0.82 1.03 -0.92 0.00 0.00 175.35 176.72 1bld s ARG 31 N 1.52 4.19 -0.58 1.68 0.52 -0.98 -4.09 118.95 121.22 1bld s ARG 31 Ca -0.08 0.93 -0.25 0.00 -0.52 0.00 0.00 55.73 55.82 1bld s ARG 31 Cb -0.10 -3.64 0.04 0.00 0.52 0.00 0.00 34.95 31.77 1bld s ARG 31 CO -0.10 -0.49 1.02 -0.51 0.02 0.00 0.00 175.30 175.24 1bld s LEU 32 N 2.74 3.93 -0.23 2.53 1.43 -1.26 -2.32 118.68 125.49 1bld s LEU 32 Ca 0.35 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 53.03 1bld s LEU 32 Cb -0.15 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.20 1bld s LEU 32 CO 0.08 -1.35 0.09 -0.47 0.23 0.00 0.00 176.35 174.93 1bld s TYR 33 N 4.29 3.15 0.02 0.29 5.04 -1.25 -1.97 117.35 126.93 1bld s TYR 33 Ca 0.32 -0.18 -0.20 0.00 -2.44 0.00 0.00 57.07 54.57 1bld s TYR 33 Cb -0.12 -2.21 -0.06 0.00 0.35 0.00 0.00 41.96 39.93 1bld s TYR 33 CO 0.19 -0.17 0.57 0.00 -1.34 0.00 0.00 175.55 174.80 1bld h LYS 35 N 5.23 0.00 -6.35 0.00 3.64 -1.86 -2.59 116.57 114.64 1bld h LYS 35 Ca -0.47 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.37 1bld h LYS 35 Cb 1.21 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.97 1bld h LYS 35 CO 0.67 0.51 1.14 -0.80 -2.27 0.00 0.00 179.45 178.70 1bld s ASN 36 N -6.33 6.03 0.00 4.20 0.02 -1.26 -2.77 114.94 114.83 1bld s ASN 36 Ca 0.02 0.39 0.00 0.00 -1.02 0.00 0.00 52.86 52.25 1bld s ASN 36 Cb 0.08 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.81 1bld s ASN 36 CO 0.77 -1.77 0.00 0.61 0.02 0.00 0.00 177.10 176.73 1bld n GLY 37 N 5.31 0.73 3.09 0.66 0.00 -1.26 -4.38 105.19 109.34 1bld n GLY 37 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.43 -1.26 2.99 -0.02 0.00 -1.11 -5.01 105.19 98.35 1bld n GLY 38 Ca 0.00 0.47 -0.13 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.43 -0.16 -0.22 1.61 0.08 -0.98 -4.73 117.98 112.15 1bld s PHE 39 Ca 0.10 0.42 -0.15 0.00 0.12 0.00 0.00 56.93 57.42 1bld s PHE 39 Cb -0.01 0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.40 1bld s PHE 39 CO 0.45 -0.11 0.35 -0.06 -0.10 0.00 0.00 175.22 175.76 1bld s PHE 40 N 0.47 3.35 0.46 0.36 0.40 -0.98 -0.39 117.98 121.65 1bld s PHE 40 Ca -0.03 0.52 -0.24 0.00 -0.60 0.00 0.00 56.93 56.58 1bld s PHE 40 Cb -0.05 -2.48 -0.09 0.00 0.51 0.00 0.00 43.02 40.91 1bld s PHE 40 CO -0.02 -0.02 1.15 -0.11 0.70 0.00 0.00 175.22 176.92 1bld n LEU 41 N 4.54 3.68 -3.66 -0.37 7.94 -0.83 -1.45 117.00 126.85 1bld n LEU 41 Ca -0.10 1.02 -0.12 0.00 -1.11 0.00 0.00 56.01 55.70 1bld n LEU 41 Cb 0.51 -1.44 -0.12 0.00 0.53 0.00 0.00 43.42 42.89 1bld n LEU 41 CO 0.39 -1.10 -0.10 -0.60 -1.11 0.00 0.00 177.39 174.87 1bld s ARG 42 N -2.30 0.19 -0.16 1.96 3.52 0.81 -4.63 118.95 118.33 1bld s ARG 42 Ca 0.65 0.80 -0.16 0.00 -0.13 0.00 0.00 55.73 56.90 1bld s ARG 42 Cb -0.50 0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 32.87 1bld s ARG 42 CO 0.55 -0.29 0.38 0.42 -0.81 0.00 0.00 175.30 175.55 1bld s ILE 43 N 2.46 5.24 0.25 4.11 1.01 -1.26 -2.09 121.20 130.92 1bld s ILE 43 Ca 0.01 0.71 -0.07 0.00 0.00 0.00 0.00 60.65 61.29 1bld s ILE 43 Cb -0.12 -3.71 -0.06 0.00 0.01 0.00 0.00 42.46 38.57 1bld s ILE 43 CO -0.10 0.32 0.54 -1.00 0.00 0.00 0.00 174.94 174.71 1bld s HIS 44 N 0.80 3.45 0.56 3.97 3.76 -0.98 -4.74 115.29 122.11 1bld s HIS 44 Ca 0.20 0.76 0.25 0.00 -0.15 0.00 0.00 55.06 56.12 1bld s HIS 44 Cb -0.14 -2.18 1.51 0.00 1.11 0.00 0.00 32.58 32.87 1bld s HIS 44 CO 0.07 0.24 2.10 -1.35 -0.85 0.00 0.00 174.74 174.95 1bld h PRO 45 N 2.21 0.00 0.00 8.40 0.10 -1.88 0.24 132.00 141.06 1bld h PRO 45 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.63 1bld h PRO 45 Cb 1.18 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.28 1bld h PRO 45 CO 0.68 0.00 0.00 -0.40 0.10 0.00 0.00 178.00 178.38 1bld n ASP 46 N -4.14 0.00 0.00 -2.05 5.75 -1.26 -4.83 116.55 110.02 1bld n ASP 46 Ca 0.02 -0.88 0.00 0.00 -0.01 0.00 0.00 54.79 53.92 1bld n ASP 46 Cb 0.31 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 1bld n ASP 46 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bld n GLY 47 N 0.45 2.63 3.66 6.12 0.00 0.83 -4.98 105.19 113.90 1bld n GLY 47 Ca 0.15 -0.06 -0.54 0.00 0.00 0.00 0.00 46.02 45.56 1bld n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bld n ARG 48 N 0.00 1.40 -3.42 1.61 5.12 -1.26 -3.85 116.66 116.26 1bld n ARG 48 Ca 0.00 0.50 -0.33 0.00 -1.93 0.00 0.00 57.85 56.09 1bld n ARG 48 Cb 0.00 -2.29 -0.05 0.00 -1.16 0.00 0.00 32.46 28.95 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 4.27 4.93 0.00 1.55 1.01 -1.26 -2.33 120.40 128.58 1bld s VAL 49 Ca 0.99 0.56 0.00 0.00 0.00 0.00 0.00 61.98 63.53 1bld s VAL 49 Cb -0.95 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 31.78 1bld s VAL 49 CO 0.60 0.06 0.00 -0.90 0.00 0.00 0.00 175.10 174.86 1bld n ASP 50 N 0.25 0.00 -3.87 3.32 5.75 -0.89 -4.47 116.55 116.64 1bld n ASP 50 Ca -0.02 -0.29 -0.09 0.00 -0.01 0.00 0.00 54.79 54.38 1bld n ASP 50 Cb 0.52 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.53 1bld n ASP 50 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1bld s GLY 51 N -0.91 0.10 -0.06 6.12 0.00 -0.98 -0.13 107.32 111.46 1bld s GLY 51 Ca 0.00 -0.57 -0.09 0.00 0.00 0.00 0.00 44.72 44.06 1bld s GLY 51 CO 0.00 -0.75 0.24 -1.34 0.00 0.00 0.00 173.10 171.25 1bld s VAL 52 N -3.49 0.03 -1.86 1.40 -7.23 -0.53 -4.73 120.40 103.99 1bld s VAL 52 Ca 0.02 -0.22 0.23 0.00 -1.81 0.00 0.00 61.98 60.20 1bld s VAL 52 Cb 0.03 -0.41 0.59 0.00 0.56 0.00 0.00 36.38 37.15 1bld s VAL 52 CO -0.09 -0.12 1.73 0.54 -0.31 0.00 0.00 175.10 176.86 1bld n ARG 53 N 2.38 0.62 -2.74 4.82 1.74 -1.26 -2.31 116.66 119.91 1bld n ARG 53 Ca -0.16 0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.51 1bld n ARG 53 Cb 0.57 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 1bld n ARG 53 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1bld s GLU 54 N -2.14 3.48 -1.03 5.56 2.02 -1.26 -4.89 118.70 120.45 1bld s GLU 54 Ca 0.31 -1.22 -0.07 0.00 0.02 0.00 0.00 54.97 54.02 1bld s GLU 54 Cb 0.16 -4.90 -0.03 0.00 0.10 0.00 0.00 34.13 29.45 1bld s GLU 54 CO 0.28 -1.99 2.87 0.36 0.02 0.00 0.00 175.26 176.80 1bld n LYS 55 N 7.91 3.46 -0.19 1.61 2.85 -1.26 -3.78 118.16 128.76 1bld n LYS 55 Ca 0.21 -2.41 0.00 0.00 -1.05 0.00 0.00 58.31 55.06 1bld n LYS 55 Cb 0.49 -2.48 0.00 0.00 -0.65 0.00 0.00 35.03 32.39 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 2.31 0.00 -4.86 -5.58 3.41 -1.26 -4.76 113.62 102.87 1bld n SER 56 Ca 0.62 -1.09 -0.34 0.00 -0.26 0.00 0.00 58.87 57.80 1bld n SER 56 Cb 0.42 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.30 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 -0.09 6.67 0.00 4.04 1.01 -1.25 -4.78 116.67 122.28 1bld s ASP 57 Ca 0.00 0.84 0.04 0.00 0.71 0.00 0.00 52.55 54.14 1bld s ASP 57 Cb 0.00 -2.20 0.22 0.00 1.01 0.00 0.00 42.92 41.96 1bld s ASP 57 CO 0.00 0.14 0.67 -0.81 0.21 0.00 0.00 175.17 175.38 1bld n PRO 58 N 0.77 0.13 -0.02 8.23 -0.04 -1.26 -1.73 135.00 141.08 1bld n PRO 58 Ca -0.07 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.32 1bld n PRO 58 Cb 0.52 -1.46 -0.13 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.96 0.88 0.92 0.54 8.25 -1.26 -3.80 115.22 119.79 1bld n HIS 59 Ca 0.03 0.31 0.04 0.00 -0.26 0.00 0.00 57.72 57.84 1bld n HIS 59 Cb 0.01 -1.14 0.22 0.00 1.12 0.00 0.00 29.99 30.20 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 -2.98 0.00 -3.07 1.59 -5.35 -0.71 -4.28 119.36 104.57 1bld n ILE 60 Ca -0.17 0.00 -0.44 0.00 -0.27 0.00 0.00 62.75 61.86 1bld n ILE 60 Cb 1.02 -0.52 -0.01 0.00 -1.74 0.00 0.00 39.64 38.39 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 3.99 -0.08 6.28 1.02 -1.25 -4.51 119.74 123.19 1bld s LYS 61 Ca 0.11 -2.57 -0.16 0.00 0.02 0.00 0.00 55.97 53.37 1bld s LYS 61 Cb 0.05 -4.86 -0.05 0.00 -0.52 0.00 0.00 37.83 32.45 1bld s LYS 61 CO 0.09 -1.60 0.41 -0.51 -0.92 0.00 0.00 175.35 172.81 1bld s LEU 62 N 0.98 4.35 -0.22 3.17 1.43 -1.26 -3.59 118.68 123.54 1bld s LEU 62 Ca 0.36 0.81 -0.16 0.00 -1.03 0.00 0.00 54.13 54.10 1bld s LEU 62 Cb -0.06 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1bld s LEU 62 CO -0.04 0.15 0.42 -1.58 0.23 0.00 0.00 176.35 175.53 1bld s GLN 63 N -0.09 4.13 0.33 1.70 0.74 0.24 -2.78 119.66 123.92 1bld s GLN 63 Ca 0.23 0.21 -0.04 0.00 0.05 0.00 0.00 55.36 55.81 1bld s GLN 63 Cb -0.15 -3.58 -0.05 0.00 1.10 0.00 0.00 33.01 30.33 1bld s GLN 63 CO 0.10 -0.15 0.59 -0.51 -0.55 0.00 0.00 175.29 174.77 1bld s LEU 64 N 1.65 3.99 -0.09 3.68 1.02 -1.26 -0.57 118.68 127.10 1bld s LEU 64 Ca 0.19 0.70 -0.04 0.00 0.02 0.00 0.00 54.13 55.00 1bld s LEU 64 Cb -0.15 -3.54 0.05 0.00 0.02 0.00 0.00 46.19 42.57 1bld s LEU 64 CO 0.09 -0.26 0.20 -1.10 0.02 0.00 0.00 176.35 175.29 1bld s GLN 65 N -3.85 0.11 0.72 1.70 -0.21 0.13 -4.93 119.66 113.33 1bld s GLN 65 Ca 0.44 0.55 -0.11 0.00 0.02 0.00 0.00 55.36 56.25 1bld s GLN 65 Cb -0.10 -0.16 0.02 0.00 1.00 0.00 0.00 33.01 33.77 1bld s GLN 65 CO 0.33 -0.23 1.11 0.00 -2.12 0.00 0.00 175.29 174.38 1bld s ALA 66 N 1.78 2.87 0.00 6.09 0.00 -1.26 -0.67 121.76 130.56 1bld s ALA 66 Ca -0.04 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1bld s ALA 66 Cb -0.12 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1bld s ALA 66 CO -0.07 -1.21 0.00 -1.91 0.00 0.00 0.00 175.76 172.57 1bld n GLU 67 N -3.05 0.00 -0.75 0.00 4.07 -0.89 -4.83 120.64 115.19 1bld n GLU 67 Ca 0.07 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.10 1bld n GLU 67 Cb 0.58 0.00 0.05 0.00 -0.06 0.00 0.00 31.44 32.00 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 0.00 -0.06 -2.24 5.31 1.02 -1.25 -4.90 120.64 118.52 1bld n GLU 68 Ca 0.00 -0.62 -0.42 0.00 -0.02 0.00 0.00 57.16 56.10 1bld n GLU 68 Cb 0.00 -0.30 -0.02 0.00 -0.02 0.00 0.00 31.44 31.10 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 -3.53 3.35 0.00 3.49 3.00 -1.26 -2.39 118.95 121.60 1bld s ARG 69 Ca 0.19 0.91 0.00 0.00 0.00 0.00 0.00 55.73 56.83 1bld s ARG 69 Cb -0.01 -4.13 0.00 0.00 0.00 0.00 0.00 34.95 30.81 1bld s ARG 69 CO 0.13 -1.85 0.00 0.41 0.00 0.00 0.00 175.30 173.99 1bld n GLY 70 N 5.28 1.69 3.84 -3.53 0.00 -1.26 -5.03 105.19 106.17 1bld n GLY 70 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.33 5.01 0.23 1.61 1.01 -1.01 -3.58 120.40 121.33 1bld s VAL 71 Ca 0.00 0.84 -0.05 0.00 0.00 0.00 0.00 61.98 62.78 1bld s VAL 71 Cb 0.00 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1bld s VAL 71 CO 0.00 0.55 0.26 0.68 0.00 0.00 0.00 175.10 176.60 1bld s VAL 72 N -1.11 0.00 -0.13 2.92 -7.23 -1.26 -2.09 120.40 111.50 1bld s VAL 72 Ca 0.25 -1.79 -0.09 0.00 -1.81 0.00 0.00 61.98 58.54 1bld s VAL 72 Cb -0.17 -2.41 0.04 0.00 0.56 0.00 0.00 36.38 34.41 1bld s VAL 72 CO 0.14 0.00 0.32 -0.44 -0.31 0.00 0.00 175.10 174.82 1bld s SER 73 N -3.12 -0.36 0.30 4.85 0.01 0.15 -2.53 113.70 112.99 1bld s SER 73 Ca 0.33 0.68 -0.03 0.00 1.31 0.00 0.00 55.95 58.24 1bld s SER 73 Cb 0.04 0.62 -0.05 0.00 0.21 0.00 0.00 66.02 66.84 1bld s SER 73 CO 0.12 -0.15 0.54 -0.63 0.41 0.00 0.00 173.24 173.53 1bld s ILE 74 N 0.75 5.06 -0.13 1.44 1.01 -1.26 -0.69 121.20 127.38 1bld s ILE 74 Ca -0.05 -0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.38 1bld s ILE 74 Cb -0.06 -3.76 0.03 0.00 0.01 0.00 0.00 42.46 38.68 1bld s ILE 74 CO -0.05 -0.37 0.34 -0.75 0.00 0.00 0.00 174.94 174.11 1bld s LYS 75 N -3.72 0.39 -0.17 2.79 2.36 0.27 -4.00 119.74 117.66 1bld s LYS 75 Ca 0.42 0.47 -0.16 0.00 -2.55 0.00 0.00 55.97 54.15 1bld s LYS 75 Cb -0.10 0.19 -0.04 0.00 -1.05 0.00 0.00 37.83 36.82 1bld s LYS 75 CO 0.32 -0.05 0.42 0.20 1.55 0.00 0.00 175.35 177.78 1bld s GLY 76 N 0.20 2.19 -0.06 5.54 0.00 -0.66 0.80 107.32 115.34 1bld s GLY 76 Ca -0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 44.72 44.27 1bld s GLY 76 CO 0.00 0.77 0.23 -2.08 0.00 0.00 0.00 173.10 172.02 1bld h VAL 77 N 4.89 0.00 0.00 1.40 2.07 -1.90 0.65 116.25 123.37 1bld h VAL 77 Ca -0.38 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 1bld h VAL 77 Cb 1.17 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1bld h VAL 77 CO 0.74 0.00 -0.17 0.77 0.02 0.00 0.00 177.57 178.93 1bld h SER 78 N -0.87 0.00 0.81 0.57 4.64 -1.80 -2.26 113.55 114.64 1bld h SER 78 Ca -0.02 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.19 1bld h SER 78 Cb 0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1bld h SER 78 CO 0.03 0.17 -1.27 0.00 -0.87 0.00 0.00 176.83 174.90 1bld h ALA 79 N 1.83 0.61 -6.23 5.18 0.00 -1.85 -3.47 119.26 115.33 1bld h ALA 79 Ca -0.00 -0.58 -0.44 0.00 0.00 0.00 0.00 54.91 53.88 1bld h ALA 79 Cb 0.38 0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.38 1bld h ALA 79 CO 0.02 0.63 -0.86 0.09 0.00 0.00 0.00 179.25 179.13 1bld n ASN 80 N -2.83 -1.36 -3.79 0.00 3.02 0.23 -4.85 115.26 105.67 1bld n ASN 80 Ca -0.06 -0.90 -0.13 0.00 -0.03 0.00 0.00 54.58 53.45 1bld n ASN 80 Cb 0.75 -3.66 -0.10 0.00 -0.61 0.00 0.00 39.78 36.16 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 -6.15 0.50 -0.21 3.52 0.52 -1.18 -4.47 118.95 111.48 1bld s ARG 81 Ca 0.06 0.01 -0.14 0.00 -0.52 0.00 0.00 55.73 55.13 1bld s ARG 81 Cb -0.02 0.23 -0.04 0.00 0.52 0.00 0.00 34.95 35.64 1bld s ARG 81 CO 0.84 -0.11 0.33 0.71 0.02 0.00 0.00 175.30 177.09 1bld s TYR 82 N -0.74 3.35 0.51 -0.53 1.51 0.53 -1.66 117.35 120.32 1bld s TYR 82 Ca -0.08 0.50 -0.23 0.00 -1.01 0.00 0.00 57.07 56.24 1bld s TYR 82 Cb -0.04 -2.45 -0.06 0.00 -0.11 0.00 0.00 41.96 39.29 1bld s TYR 82 CO 0.02 0.01 1.34 -0.11 -1.11 0.00 0.00 175.55 175.70 1bld n LEU 83 N 4.44 5.09 -3.71 -1.29 7.94 -1.26 -1.95 117.00 126.26 1bld n LEU 83 Ca -0.10 1.02 -0.11 0.00 -1.11 0.00 0.00 56.01 55.71 1bld n LEU 83 Cb 0.51 -1.56 -0.11 0.00 0.53 0.00 0.00 43.42 42.79 1bld n LEU 83 CO 0.38 -0.58 0.01 0.00 -1.11 0.00 0.00 177.39 176.09 1bld s ALA 84 N -1.27 -0.91 -0.55 1.96 0.00 0.10 -4.29 121.76 116.80 1bld s ALA 84 Ca 0.68 1.35 -0.21 0.00 0.00 0.00 0.00 51.96 53.78 1bld s ALA 84 Cb -0.44 -0.83 0.06 0.00 0.00 0.00 0.00 23.12 21.91 1bld s ALA 84 CO 0.52 -0.24 0.80 1.41 0.00 0.00 0.00 175.76 178.25 1bld s MET 85 N 1.27 3.19 1.05 0.00 1.75 -1.07 -2.50 119.30 122.99 1bld s MET 85 Ca -0.09 -0.70 -0.12 0.00 -1.25 0.00 0.00 55.69 53.54 1bld s MET 85 Cb -0.08 -4.12 0.22 0.00 2.84 0.00 0.00 34.83 33.69 1bld s MET 85 CO -0.11 -1.44 1.07 0.15 -0.65 0.00 0.00 175.02 174.05 1bld s LYS 86 N 3.33 -0.05 0.39 4.11 -0.14 -1.04 -4.90 119.74 121.44 1bld s LYS 86 Ca 0.21 0.98 0.21 0.00 -1.36 0.00 0.00 55.97 56.02 1bld s LYS 86 Cb -0.17 -1.64 0.37 0.00 -1.68 0.00 0.00 37.83 34.71 1bld s LYS 86 CO 0.14 -3.18 1.60 1.05 -0.76 0.00 0.00 175.35 174.20 1bld h GLU 87 N -2.24 0.00 0.00 1.68 4.11 -1.96 -3.00 114.58 113.17 1bld h GLU 87 Ca -0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.88 1bld h GLU 87 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1bld h GLU 87 CO 0.49 0.19 0.00 -0.40 0.07 0.00 0.00 179.01 179.37 1bld n ASP 88 N -3.17 0.00 0.00 3.06 5.68 -1.26 -4.83 116.55 116.03 1bld n ASP 88 Ca 0.03 0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.33 1bld n ASP 88 Cb 0.57 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 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 0.47 0.73 3.68 6.12 0.00 -1.13 -4.97 105.19 110.09 1bld n GLY 89 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.75 4.35 -0.19 1.61 3.00 -1.26 -3.63 118.95 122.08 1bld s ARG 90 Ca 0.00 1.51 -0.20 0.00 0.00 0.00 0.00 55.73 57.04 1bld s ARG 90 Cb 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 34.95 31.33 1bld s ARG 90 CO 0.00 -0.45 0.60 -0.51 0.00 0.00 0.00 175.30 174.94 1bld s LEU 91 N 2.43 4.16 0.00 2.53 1.02 -1.26 -2.50 118.68 125.06 1bld s LEU 91 Ca 0.51 0.81 -0.00 0.00 0.02 0.00 0.00 54.13 55.47 1bld s LEU 91 Cb -0.20 -2.85 0.00 0.00 0.02 0.00 0.00 46.19 43.16 1bld s LEU 91 CO 0.17 -0.23 0.02 0.00 0.02 0.00 0.00 176.35 176.33 1bld n LEU 92 N 4.86 0.00 -4.00 1.79 -0.00 -1.04 -4.33 117.00 114.28 1bld n LEU 92 Ca -0.02 -0.10 -0.08 0.00 -0.00 0.00 0.00 56.01 55.80 1bld n LEU 92 Cb 0.50 0.09 -0.09 0.00 -0.00 0.00 0.00 43.42 43.92 1bld n LEU 92 CO 0.44 -0.02 -0.23 0.00 -0.00 0.00 0.00 177.39 177.58 1bld s ALA 93 N -1.62 0.25 0.03 1.47 0.00 -1.25 0.02 121.76 120.65 1bld s ALA 93 Ca 0.01 -1.00 -0.09 0.00 0.00 0.00 0.00 51.96 50.87 1bld s ALA 93 Cb -0.00 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.60 1bld s ALA 93 CO 0.01 -0.46 0.19 -1.54 0.00 0.00 0.00 175.76 173.96 1bld s SER 94 N -2.92 0.01 0.30 0.00 1.04 -0.82 -4.84 113.70 106.47 1bld s SER 94 Ca 0.09 -0.29 -0.01 0.00 0.48 0.00 0.00 55.95 56.22 1bld s SER 94 Cb 0.06 0.27 0.47 0.00 0.10 0.00 0.00 66.02 66.92 1bld s SER 94 CO -0.08 -0.50 1.95 0.11 0.98 0.00 0.00 173.24 175.70 1bld h LYS 95 N 3.69 1.06 -7.01 4.02 1.79 -1.89 0.15 116.57 118.39 1bld h LYS 95 Ca -0.32 -0.06 -0.49 0.00 -2.18 0.00 0.00 60.65 57.60 1bld h LYS 95 Cb 1.19 -0.24 0.03 0.00 -1.58 0.00 0.00 32.23 31.63 1bld h LYS 95 CO 0.46 0.70 0.19 0.45 -1.08 0.00 0.00 179.45 180.18 1bld s SER 96 N -6.19 6.38 -0.31 0.86 0.15 -1.26 -4.54 113.70 108.79 1bld s SER 96 Ca -0.12 1.15 -0.18 0.00 0.70 0.00 0.00 55.95 57.51 1bld s SER 96 Cb 0.19 -2.34 -0.02 0.00 -1.71 0.00 0.00 66.02 62.14 1bld s SER 96 CO 0.80 -0.57 0.51 -0.69 1.20 0.00 0.00 173.24 174.48 1bld s VAL 97 N -2.68 5.04 0.69 4.45 1.01 -1.26 -4.57 120.40 123.08 1bld s VAL 97 Ca 0.51 0.60 -0.03 0.00 0.00 0.00 0.00 61.98 63.06 1bld s VAL 97 Cb -0.10 -3.89 0.08 0.00 0.00 0.00 0.00 36.38 32.47 1bld s VAL 97 CO 0.41 -0.07 0.96 0.42 0.00 0.00 0.00 175.10 176.83 1bld s THR 98 N 2.35 2.32 0.18 3.92 -4.23 -1.26 -4.96 115.64 113.96 1bld s THR 98 Ca 0.20 -0.46 0.27 0.00 -1.18 0.00 0.00 61.69 60.52 1bld s THR 98 Cb -0.15 -2.86 0.29 0.00 1.34 0.00 0.00 72.50 71.11 1bld s THR 98 CO 0.11 0.00 1.91 0.44 -0.54 0.00 0.00 174.62 176.55 1bld h ASP 99 N -0.47 0.00 -0.56 3.99 3.32 -1.99 -2.46 116.42 118.25 1bld h ASP 99 Ca -0.41 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.46 1bld h ASP 99 Cb 1.29 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.73 1bld h ASP 99 CO 0.50 0.15 0.23 -0.62 -1.72 0.00 0.00 179.24 177.78 1bld n GLU 100 N -3.34 2.86 0.00 3.56 4.71 -1.26 -4.04 120.64 123.12 1bld n GLU 100 Ca -0.00 -2.19 0.11 0.00 -0.01 0.00 0.00 57.16 55.07 1bld n GLU 100 Cb 0.36 -1.94 0.14 0.00 -1.01 0.00 0.00 31.44 28.98 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 -2.88 3.50 -0.17 0.00 0.40 -1.26 -4.25 117.98 113.31 1bld s PHE 102 Ca 0.13 0.41 -0.05 0.00 -0.60 0.00 0.00 56.93 56.83 1bld s PHE 102 Cb 0.17 -1.94 0.09 0.00 0.51 0.00 0.00 43.02 41.85 1bld s PHE 102 CO 0.71 0.14 0.30 -0.06 0.70 0.00 0.00 175.22 177.01 1bld s PHE 103 N -2.25 -0.52 0.02 0.36 0.40 -1.05 -3.84 117.98 111.10 1bld s PHE 103 Ca 0.41 0.90 -0.34 0.00 -0.60 0.00 0.00 56.93 57.30 1bld s PHE 103 Cb -0.10 -0.03 -0.13 0.00 0.51 0.00 0.00 43.02 43.27 1bld s PHE 103 CO 0.35 -0.48 1.74 1.19 0.70 0.00 0.00 175.22 178.72 1bld n PHE 104 N 5.35 2.29 -3.27 0.36 3.72 0.22 -4.14 117.46 122.00 1bld n PHE 104 Ca -0.06 0.12 -0.34 0.00 -0.05 0.00 0.00 57.45 57.13 1bld n PHE 104 Cb 0.50 -2.61 -0.06 0.00 -0.94 0.00 0.00 39.48 36.37 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 2.65 3.97 -0.15 -1.08 -6.30 -1.23 -1.03 118.70 115.53 1bld s GLU 105 Ca 0.87 0.53 -0.05 0.00 -2.50 0.00 0.00 54.97 53.81 1bld s GLU 105 Cb -0.69 -2.69 0.07 0.00 0.00 0.00 0.00 34.13 30.82 1bld s GLU 105 CO 0.46 0.32 0.30 0.50 0.02 0.00 0.00 175.26 176.86 1bld s ARG 106 N -2.53 0.19 -0.10 4.30 3.52 -0.96 -4.95 118.95 118.42 1bld s ARG 106 Ca 0.46 0.81 -0.18 0.00 -0.13 0.00 0.00 55.73 56.70 1bld s ARG 106 Cb -0.13 0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 33.27 1bld s ARG 106 CO 0.20 -0.28 0.47 -1.17 -0.81 0.00 0.00 175.30 173.71 1bld s LEU 107 N 2.45 4.30 0.00 -0.88 0.20 -1.26 -0.89 118.68 122.60 1bld s LEU 107 Ca 0.00 0.84 -0.02 0.00 0.69 0.00 0.00 54.13 55.64 1bld s LEU 107 Cb -0.12 -2.69 0.09 0.00 -0.43 0.00 0.00 46.19 43.04 1bld s LEU 107 CO -0.09 0.03 0.62 -0.62 -0.29 0.00 0.00 176.35 176.00 1bld n GLU 108 N 3.48 0.01 0.00 1.98 1.02 -1.11 -4.98 120.64 121.04 1bld n GLU 108 Ca -0.08 -1.52 0.13 0.00 -0.02 0.00 0.00 57.16 55.67 1bld n GLU 108 Cb 0.52 -0.47 0.36 0.00 -0.02 0.00 0.00 31.44 31.83 1bld n GLU 108 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1bld n SER 109 N -3.05 1.15 -1.75 1.62 2.88 -1.26 -3.90 113.62 109.32 1bld n SER 109 Ca 0.10 -1.00 -0.12 0.00 -1.33 0.00 0.00 58.87 56.52 1bld n SER 109 Cb 0.34 0.14 0.15 0.00 -0.75 0.00 0.00 64.21 64.10 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 -0.51 3.66 0.00 -3.46 3.02 -1.26 -4.83 115.26 111.87 1bld n ASN 110 Ca 0.13 -2.99 0.00 0.00 -0.03 0.00 0.00 54.58 51.69 1bld n ASN 110 Cb 0.36 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 1bld n ASN 110 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1bld n ASN 111 N -0.39 0.00 -2.66 6.41 3.02 -1.25 -4.92 115.26 115.46 1bld n ASN 111 Ca 0.36 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.82 1bld n ASN 111 Cb 1.21 -1.43 0.06 0.00 -0.61 0.00 0.00 39.78 39.01 1bld n ASN 111 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1bld n TYR 112 N -2.00 -3.75 -4.03 3.10 4.01 -1.26 -4.92 117.16 108.30 1bld n TYR 112 Ca 0.00 -0.43 -0.10 0.00 -0.16 0.00 0.00 57.90 57.21 1bld n TYR 112 Cb 0.00 -0.29 -0.07 0.00 -0.31 0.00 0.00 39.34 38.66 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 -2.44 0.06 0.21 7.72 -0.87 -0.33 -2.75 114.94 116.54 1bld s ASN 113 Ca 0.23 -1.01 -0.03 0.00 -1.57 0.00 0.00 52.86 50.47 1bld s ASN 113 Cb -0.01 0.44 -0.03 0.00 -0.02 0.00 0.00 41.25 41.63 1bld s ASN 113 CO 0.16 -0.92 0.20 0.42 -2.57 0.00 0.00 177.10 174.39 1bld s THR 114 N -4.02 0.00 -0.19 1.60 -4.23 -0.06 -0.16 115.64 108.58 1bld s THR 114 Ca 0.23 -1.88 -0.04 0.00 -1.18 0.00 0.00 61.69 58.82 1bld s THR 114 Cb 0.04 -2.44 0.08 0.00 1.34 0.00 0.00 72.50 71.52 1bld s THR 114 CO 0.04 -0.00 0.19 -0.31 -0.54 0.00 0.00 174.62 174.00 1bld s TYR 115 N -4.13 -0.16 0.07 3.99 2.02 -1.26 -2.27 117.35 115.61 1bld s TYR 115 Ca 0.35 0.13 -0.09 0.00 -0.37 0.00 0.00 57.07 57.10 1bld s TYR 115 Cb 0.05 -0.43 -0.06 0.00 -0.40 0.00 0.00 41.96 41.13 1bld s TYR 115 CO 0.11 -0.55 0.37 0.50 -1.57 0.00 0.00 175.55 174.41 1bld s ARG 116 N 2.28 3.71 0.92 -0.62 3.52 -0.20 -2.45 118.95 126.11 1bld s ARG 116 Ca 0.05 0.10 -0.11 0.00 -0.13 0.00 0.00 55.73 55.65 1bld s ARG 116 Cb -0.15 -3.00 0.14 0.00 -1.56 0.00 0.00 34.95 30.38 1bld s ARG 116 CO -0.11 0.57 1.11 0.45 -0.81 0.00 0.00 175.30 176.51 1bld s SER 117 N -1.82 3.05 -0.09 -2.12 0.15 -1.08 -0.61 113.70 111.19 1bld s SER 117 Ca 0.33 1.91 -0.07 0.00 0.70 0.00 0.00 55.95 58.81 1bld s SER 117 Cb -0.14 -2.46 -0.02 0.00 -1.71 0.00 0.00 66.02 61.69 1bld s SER 117 CO 0.18 -2.97 -0.14 -1.14 1.20 0.00 0.00 173.24 170.38 1bld n ARG 118 N -4.13 0.29 -0.04 5.44 0.63 -1.25 -3.83 116.66 113.77 1bld n ARG 118 Ca 0.09 0.36 -0.11 0.00 -0.92 0.00 0.00 57.85 57.27 1bld n ARG 118 Cb 0.53 -1.29 -0.06 0.00 0.45 0.00 0.00 32.46 32.10 1bld n ARG 118 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1bld h LYS 119 N -0.63 0.25 -2.52 -0.14 1.63 -1.89 -3.23 116.57 110.04 1bld h LYS 119 Ca 0.00 -0.06 -0.81 0.00 -0.85 0.00 0.00 60.65 58.93 1bld h LYS 119 Cb 0.39 -0.03 -0.27 0.00 -0.60 0.00 0.00 32.23 31.72 1bld h LYS 119 CO 0.00 0.42 1.00 0.66 -3.45 0.00 0.00 179.45 178.07 1bld n TYR 120 N -4.81 2.56 0.00 1.91 4.01 -1.26 -4.77 117.16 114.80 1bld n TYR 120 Ca -0.05 -2.57 0.00 0.00 -0.16 0.00 0.00 57.90 55.12 1bld n TYR 120 Cb 0.17 -1.25 0.00 0.00 -0.31 0.00 0.00 39.34 37.95 1bld n TYR 120 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1bld n THR 121 N 0.54 0.00 0.52 -0.72 -2.24 -1.22 -1.66 114.28 109.50 1bld n THR 121 Ca 0.40 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.22 1bld n THR 121 Cb 0.29 -0.89 0.18 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 -0.88 2.52 -3.66 3.42 7.64 -1.26 -4.83 113.62 116.57 1bld n SER 122 Ca 0.00 -2.19 -0.15 0.00 1.01 0.00 0.00 58.87 57.55 1bld n SER 122 Cb 0.00 -0.39 -0.08 0.00 -1.01 0.00 0.00 64.21 62.74 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 -1.66 -0.50 0.37 1.43 0.51 -0.66 -4.93 118.94 113.50 1bld s TRP 123 Ca 0.26 1.03 0.08 0.00 -2.12 0.00 0.00 56.10 55.34 1bld s TRP 123 Cb 0.16 0.24 -0.03 0.00 -0.81 0.00 0.00 33.47 33.03 1bld s TRP 123 CO 0.13 -0.41 0.29 0.71 -0.51 0.00 0.00 176.95 177.16 1bld s TYR 124 N -0.60 2.79 -0.18 -1.98 1.51 -1.26 -2.62 117.35 115.01 1bld s TYR 124 Ca -0.07 -0.39 -0.19 0.00 -1.01 0.00 0.00 57.07 55.41 1bld s TYR 124 Cb -0.03 -1.90 -0.03 0.00 -0.11 0.00 0.00 41.96 39.88 1bld s TYR 124 CO 0.05 0.11 0.52 0.08 -1.11 0.00 0.00 175.55 175.20 1bld s VAL 125 N -2.40 5.11 0.12 0.71 1.01 -1.02 -4.84 120.40 119.09 1bld s VAL 125 Ca 0.43 0.99 -0.18 0.00 0.00 0.00 0.00 61.98 63.22 1bld s VAL 125 Cb -0.04 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.53 1bld s VAL 125 CO 0.26 0.20 0.44 0.00 0.00 0.00 0.00 175.10 176.00 1bld s ALA 126 N 1.43 -1.06 0.56 5.51 0.00 -1.26 -4.57 121.76 122.37 1bld s ALA 126 Ca 0.25 0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.38 1bld s ALA 126 Cb -0.15 0.66 0.05 0.00 0.00 0.00 0.00 23.12 23.68 1bld s ALA 126 CO 0.10 -0.63 0.48 -0.51 0.00 0.00 0.00 175.76 175.20 1bld s LEU 127 N -2.65 2.71 0.00 0.00 1.43 -1.26 -3.25 118.68 115.66 1bld s LEU 127 Ca 0.01 -1.21 0.00 0.00 -1.03 0.00 0.00 54.13 51.90 1bld s LEU 127 Cb 0.01 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 45.03 1bld s LEU 127 CO -0.10 -1.20 0.00 0.29 0.23 0.00 0.00 176.35 175.57 1bld n LYS 128 N -1.88 0.00 0.00 1.70 5.02 -1.04 -4.55 118.16 117.41 1bld n LYS 128 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1bld n LYS 128 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.65 1bld n LYS 128 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1bld n ARG 129 N 0.00 0.00 0.00 1.97 -4.01 -1.26 -4.82 116.66 108.54 1bld n ARG 129 Ca 0.00 0.00 0.10 0.00 -1.04 0.00 0.00 57.85 56.91 1bld n ARG 129 Cb 0.00 -0.32 0.59 0.00 -3.04 0.00 0.00 32.46 29.69 1bld n ARG 129 CO 0.00 0.00 0.00 -2.37 -3.04 0.00 0.00 177.63 172.22 1bld n THR 130 N -0.76 0.00 -0.26 8.89 5.66 -1.26 -4.80 114.28 121.75 1bld n THR 130 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1bld n THR 130 Cb 0.00 -0.34 0.00 0.00 -1.55 0.00 0.00 70.33 68.44 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 0.76 0.86 3.97 1.09 0.00 -1.26 -5.00 105.19 105.62 1bld n GLY 131 Ca 0.15 -0.05 -0.21 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 -0.70 2.80 -0.24 1.61 -1.52 -1.26 -2.32 119.66 118.03 1bld s GLN 132 Ca 0.00 -0.71 -0.23 0.00 -1.95 0.00 0.00 55.36 52.47 1bld s GLN 132 Cb 0.00 -2.55 -0.01 0.00 -0.22 0.00 0.00 33.01 30.22 1bld s GLN 132 CO 0.00 -0.46 0.76 1.52 -0.25 0.00 0.00 175.29 176.85 1bld s TYR 133 N -2.62 3.31 0.18 0.91 1.13 -1.26 -2.48 117.35 116.52 1bld s TYR 133 Ca 0.53 1.03 -0.30 0.00 -1.41 0.00 0.00 57.07 56.92 1bld s TYR 133 Cb -0.10 -2.97 -0.08 0.00 -1.10 0.00 0.00 41.96 37.71 1bld s TYR 133 CO 0.37 -0.36 1.31 0.21 -2.51 0.00 0.00 175.55 174.58 1bld s LYS 134 N 2.65 4.39 0.34 -3.49 2.20 -1.20 -4.81 119.74 119.82 1bld s LYS 134 Ca 0.32 2.04 -0.29 0.00 -0.36 0.00 0.00 55.97 57.68 1bld s LYS 134 Cb -0.15 -3.21 -0.11 0.00 -1.51 0.00 0.00 37.83 32.84 1bld s LYS 134 CO 0.08 -0.27 1.51 -0.11 -0.36 0.00 0.00 175.35 176.20 1bld n LEU 135 N 2.84 4.45 -0.09 5.43 7.94 -1.26 -4.79 117.00 131.51 1bld n LEU 135 Ca 0.07 1.19 0.00 0.00 -1.11 0.00 0.00 56.01 56.16 1bld n LEU 135 Cb 0.43 -1.59 0.00 0.00 0.53 0.00 0.00 43.42 42.79 1bld n LEU 135 CO 0.58 0.07 0.25 0.61 -1.11 0.00 0.00 177.39 177.79 1bld n GLY 136 N 1.16 -0.29 0.13 -3.96 0.00 -1.24 -2.70 105.19 98.29 1bld n GLY 136 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.36 1.71 -0.17 1.61 3.41 -1.26 -4.16 113.62 114.41 1bld n SER 137 Ca 0.00 0.09 0.13 0.00 -0.26 0.00 0.00 58.87 58.83 1bld n SER 137 Cb 0.03 -0.43 0.41 0.00 -0.26 0.00 0.00 64.21 63.96 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 -3.28 0.63 -1.53 4.33 5.02 -1.10 -4.90 118.16 117.34 1bld n LYS 138 Ca -0.35 -0.33 -0.32 0.00 -2.02 0.00 0.00 58.31 55.29 1bld n LYS 138 Cb 1.04 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 34.62 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 -2.61 3.45 -4.66 -0.18 -4.23 -1.22 -5.00 115.64 101.19 1bld s THR 139 Ca 0.22 0.55 0.00 0.00 -1.18 0.00 0.00 61.69 61.28 1bld s THR 139 Cb 0.19 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.94 1bld s THR 139 CO 0.54 -0.54 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1bld n GLY 140 N -1.10 -2.76 3.68 3.99 0.00 -1.26 -4.77 105.19 102.98 1bld n GLY 140 Ca 0.09 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 1bld n GLY 140 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bld s PRO 141 N -1.99 1.15 0.00 1.61 0.02 -1.26 -3.08 135.00 131.45 1bld s PRO 141 Ca 0.00 1.56 0.00 0.00 0.02 0.00 0.00 61.00 62.58 1bld s PRO 141 Cb 0.00 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.78 1bld s PRO 141 CO 0.00 -2.53 0.00 0.41 -0.33 0.00 0.00 177.00 174.55 1bld n GLY 142 N 0.17 2.91 3.70 0.52 0.00 -1.26 -5.00 105.19 106.23 1bld n GLY 142 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.14 4.42 0.00 1.61 -0.21 -1.18 -4.92 119.66 119.25 1bld s GLN 143 Ca 0.00 1.01 0.30 0.00 0.02 0.00 0.00 55.36 56.69 1bld s GLN 143 Cb 0.00 -3.48 1.43 0.00 1.00 0.00 0.00 33.01 31.96 1bld s GLN 143 CO 0.00 -0.06 1.98 1.63 -2.12 0.00 0.00 175.29 176.72 1bld n LYS 144 N 4.19 0.74 0.16 2.91 5.02 -1.26 -3.55 118.16 126.36 1bld n LYS 144 Ca 0.02 -0.17 0.11 0.00 -2.02 0.00 0.00 58.31 56.25 1bld n LYS 144 Cb 0.51 -1.50 0.57 0.00 -0.02 0.00 0.00 35.03 34.59 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 -0.98 1.18 1.69 7.82 0.00 -1.26 -0.55 120.51 128.40 1bld n ALA 145 Ca 0.17 0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.91 1bld n ALA 145 Cb 0.24 -1.34 0.59 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.27 0.05 -3.01 0.00 -5.35 -1.23 -4.55 119.36 103.01 1bld n ILE 146 Ca -0.01 -0.15 -0.44 0.00 -0.27 0.00 0.00 62.75 61.88 1bld n ILE 146 Cb 0.08 0.01 -0.03 0.00 -1.74 0.00 0.00 39.64 37.96 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 -1.77 5.38 0.46 7.28 1.43 0.28 -3.83 118.68 127.91 1bld s LEU 147 Ca 0.36 -2.13 0.02 0.00 -1.03 0.00 0.00 54.13 51.36 1bld s LEU 147 Cb 0.18 -2.36 0.01 0.00 0.03 0.00 0.00 46.19 44.05 1bld s LEU 147 CO 0.29 -0.98 0.67 -0.36 0.23 0.00 0.00 176.35 176.20 1bld s PHE 148 N 2.23 3.05 -0.40 0.29 0.40 0.78 -3.41 117.98 120.92 1bld s PHE 148 Ca 0.29 0.03 0.08 0.00 -0.60 0.00 0.00 56.93 56.72 1bld s PHE 148 Cb -0.07 -2.42 0.25 0.00 0.51 0.00 0.00 43.02 41.29 1bld s PHE 148 CO -0.09 -0.49 0.55 -0.11 0.70 0.00 0.00 175.22 175.79 1bld n LEU 149 N -2.08 -0.15 -4.58 -0.37 7.94 -0.70 -1.19 117.00 115.86 1bld n LEU 149 Ca 0.04 -4.54 -0.40 0.00 -1.11 0.00 0.00 56.01 49.99 1bld n LEU 149 Cb 0.59 0.66 -0.03 0.00 0.53 0.00 0.00 43.42 45.16 1bld n LEU 149 CO 0.45 2.06 1.81 -2.84 -1.11 0.00 0.00 177.39 177.75 1bld s PRO 150 N -0.95 2.80 -0.20 1.96 0.02 -1.26 -3.80 135.00 133.56 1bld s PRO 150 Ca 0.35 1.54 -0.15 0.00 0.02 0.00 0.00 61.00 62.75 1bld s PRO 150 Cb 0.17 -4.40 -0.04 0.00 0.02 0.00 0.00 34.50 30.25 1bld s PRO 150 CO -0.13 -2.49 0.38 -1.64 -0.33 0.00 0.00 177.00 172.79 1bld s MET 151 N 6.87 4.17 0.26 5.54 -1.94 -0.98 -4.87 119.30 128.35 1bld s MET 151 Ca 0.91 0.16 -0.29 0.00 -1.71 0.00 0.00 55.69 54.76 1bld s MET 151 Cb -0.23 -3.53 -0.09 0.00 2.01 0.00 0.00 34.83 32.98 1bld s MET 151 CO 0.30 -0.03 1.26 0.45 -0.01 0.00 0.00 175.02 177.00 1bld s SER 152 N 1.03 6.94 -1.03 3.03 0.15 -1.26 -2.31 113.70 120.24 1bld s SER 152 Ca 0.18 2.47 -0.05 0.00 0.70 0.00 0.00 55.95 59.26 1bld s SER 152 Cb -0.15 -2.63 0.12 0.00 -1.71 0.00 0.00 66.02 61.66 1bld s SER 152 CO 0.08 -0.44 2.46 0.00 1.20 0.00 0.00 173.24 176.53 1bld n ALA 153 N 1.68 6.65 -0.06 5.45 0.00 -1.20 -4.61 120.51 128.42 1bld n ALA 153 Ca 0.02 -3.81 -0.05 0.00 0.00 0.00 0.00 53.44 49.61 1bld n ALA 153 Cb 0.43 -2.53 -0.04 0.00 0.00 0.00 0.00 19.45 17.32 1bld n ALA 153 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1bld h LYS 154 N 4.06 0.00 -0.02 0.00 1.57 -1.91 -3.47 116.57 116.80 1bld h LYS 154 Ca 0.60 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 1bld h LYS 154 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1bld h LYS 154 CO 1.28 0.27 0.00 0.43 -0.57 0.00 0.00 179.45 180.85