#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 -0.05 -3.33 3.17 0.00 -1.26 -4.80 120.51 114.24 1bld n ALA 2 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1bld n ALA 2 Cb 0.00 0.01 -0.01 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 -0.66 -3.21 -0.25 0.00 4.71 -1.26 -4.48 120.64 115.50 1bld n GLU 3 Ca 0.00 0.45 0.03 0.00 -0.01 0.00 0.00 57.16 57.63 1bld n GLU 3 Cb 0.00 -5.13 -0.01 0.00 -1.01 0.00 0.00 31.44 25.28 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 -1.12 -2.19 0.00 0.62 0.00 -1.26 -4.51 105.19 96.72 1bld n GLY 4 Ca -0.01 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.73 0.00 -3.01 1.61 0.28 -1.26 -4.54 120.64 110.98 1bld n GLU 5 Ca -0.01 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.60 1bld n GLU 5 Cb 0.12 -0.40 -0.05 0.00 1.43 0.00 0.00 31.44 32.53 1bld n GLU 5 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 1bld s ILE 6 N 0.00 4.60 -1.34 3.84 -4.36 -1.26 -4.96 121.20 117.72 1bld s ILE 6 Ca 0.00 1.61 -0.06 0.00 -0.26 0.00 0.00 60.65 61.94 1bld s ILE 6 Cb 0.00 -4.10 0.07 0.00 1.25 0.00 0.00 42.46 39.69 1bld s ILE 6 CO 0.00 0.44 2.52 0.35 0.24 0.00 0.00 174.94 178.49 1bld n THR 7 N 2.25 5.00 -3.04 8.37 -2.24 -1.26 -4.52 114.28 118.83 1bld n THR 7 Ca -0.04 -3.93 -0.15 0.00 -2.27 0.00 0.00 64.05 57.65 1bld n THR 7 Cb 0.50 -2.16 0.01 0.00 -2.10 0.00 0.00 70.33 66.57 1bld n THR 7 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1bld n THR 8 N 2.05 -0.14 -0.06 4.28 -1.04 -1.26 -4.97 114.28 113.13 1bld n THR 8 Ca 0.65 -3.52 -0.09 0.00 -2.04 0.00 0.00 64.05 59.05 1bld n THR 8 Cb 0.26 0.23 -0.02 0.00 -1.82 0.00 0.00 70.33 68.97 1bld n THR 8 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1bld h LEU 9 N 3.09 0.24 -9.01 -4.42 3.38 -1.94 -3.40 115.31 103.25 1bld h LEU 9 Ca 0.03 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.43 1bld h LEU 9 Cb 1.01 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1bld h LEU 9 CO 0.38 0.18 1.24 -2.16 0.09 0.00 0.00 178.44 178.17 1bld s PRO 10 N -6.17 3.59 -0.20 1.13 0.05 -1.26 -4.93 135.00 127.21 1bld s PRO 10 Ca -0.13 1.76 -0.30 0.00 0.05 0.00 0.00 61.00 62.39 1bld s PRO 10 Cb 0.09 -4.15 0.15 0.00 0.05 0.00 0.00 34.50 30.64 1bld s PRO 10 CO 0.70 -1.56 1.10 0.00 0.05 0.00 0.00 177.00 177.29 1bld s ALA 11 N 6.14 -1.99 -0.41 8.56 0.00 -1.26 -5.10 121.76 127.70 1bld s ALA 11 Ca 0.81 1.68 0.09 0.00 0.00 0.00 0.00 51.96 54.53 1bld s ALA 11 Cb -0.27 -0.97 0.27 0.00 0.00 0.00 0.00 23.12 22.15 1bld s ALA 11 CO 0.33 -0.28 0.60 1.47 0.00 0.00 0.00 175.76 177.87 1bld n LEU 12 N 0.72 0.77 -4.61 0.00 -0.00 -1.26 -4.97 117.00 107.64 1bld n LEU 12 Ca -0.07 -4.86 -0.43 0.00 -0.00 0.00 0.00 56.01 50.65 1bld n LEU 12 Cb 0.58 0.50 -0.03 0.00 -0.00 0.00 0.00 43.42 44.48 1bld n LEU 12 CO 0.13 2.13 1.69 -2.16 -0.00 0.00 0.00 177.39 179.18 1bld s PRO 13 N -1.64 3.42 -0.18 1.47 0.05 -1.26 -3.89 135.00 132.98 1bld s PRO 13 Ca 0.37 1.97 -0.03 0.00 0.05 0.00 0.00 61.00 63.36 1bld s PRO 13 Cb 0.21 -4.26 0.00 0.00 0.05 0.00 0.00 34.50 30.50 1bld s PRO 13 CO -0.10 -1.76 0.07 -1.91 0.05 0.00 0.00 177.00 173.35 1bld n GLU 14 N 8.35 -1.81 0.12 4.56 2.13 -1.26 -4.82 120.64 127.91 1bld n GLU 14 Ca 0.25 1.72 0.01 0.00 0.66 0.00 0.00 57.16 59.80 1bld n GLU 14 Cb 0.45 -3.11 0.32 0.00 0.27 0.00 0.00 31.44 29.38 1bld n GLU 14 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1bld h ASP 15 N 3.20 0.19 0.00 4.31 3.32 -2.01 -3.46 116.42 121.97 1bld h ASP 15 Ca -0.03 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1bld h ASP 15 Cb 0.61 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1bld h ASP 15 CO 0.07 0.47 0.00 0.61 -1.72 0.00 0.00 179.24 178.67 1bld n GLY 16 N -0.55 2.94 7.00 2.75 0.00 -1.26 -4.86 105.19 111.21 1bld n GLY 16 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 1.42 3.18 -0.02 0.00 -1.26 -4.93 105.19 103.58 1bld n GLY 17 Ca 0.00 -0.61 -0.15 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.84 -4.68 0.00 1.61 7.64 -1.26 -4.55 113.62 111.54 1bld n SER 18 Ca 0.00 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.25 1bld n SER 18 Cb 0.00 -4.86 0.00 0.00 -1.01 0.00 0.00 64.21 58.34 1bld n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bld n GLY 19 N -1.20 0.04 0.00 0.23 0.00 -1.26 -5.07 105.19 97.94 1bld n GLY 19 Ca -0.14 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.68 4.61 0.00 -1.26 -5.07 120.51 116.11 1bld n ALA 20 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1bld n ALA 20 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 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 -1.01 -0.86 0.00 1.16 -1.26 -4.70 117.46 110.78 1bld n PHE 21 Ca 0.00 -0.87 -0.29 0.00 -1.87 0.00 0.00 57.45 54.42 1bld n PHE 21 Cb 0.00 1.17 0.20 0.00 -1.61 0.00 0.00 39.48 39.24 1bld n PHE 21 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 1bld s PRO 22 N 0.24 -0.02 0.08 3.97 0.05 -1.26 -4.98 135.00 133.08 1bld s PRO 22 Ca 0.27 0.79 -0.01 0.00 0.05 0.00 0.00 61.00 62.09 1bld s PRO 22 Cb 0.20 -1.66 0.02 0.00 0.05 0.00 0.00 34.50 33.11 1bld s PRO 22 CO -0.11 -3.11 0.05 -2.30 0.05 0.00 0.00 177.00 171.58 1bld n PRO 23 N -4.48 -1.74 -1.36 0.56 -0.01 -1.26 -4.29 135.00 122.42 1bld n PRO 23 Ca 0.05 -0.08 -0.05 0.00 -0.01 0.00 0.00 63.50 63.41 1bld n PRO 23 Cb 0.55 -0.11 -0.02 0.00 -0.01 0.00 0.00 33.50 33.92 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 -0.29 0.66 0.22 -1.23 0.00 -1.26 -4.83 105.19 98.46 1bld n GLY 24 Ca 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.09 0.00 -2.03 1.61 -0.00 -1.26 -4.87 115.22 105.58 1bld n HIS 25 Ca -0.06 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.69 1bld n HIS 25 Cb 0.26 0.06 0.12 0.00 -0.00 0.00 0.00 29.99 30.43 1bld n HIS 25 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1bld n PHE 26 N 0.00 0.23 -0.13 1.57 3.01 -1.26 -4.77 117.46 116.11 1bld n PHE 26 Ca 0.00 -1.19 0.05 0.00 1.01 0.00 0.00 57.45 57.32 1bld n PHE 26 Cb 0.55 -0.22 0.26 0.00 -0.01 0.00 0.00 39.48 40.07 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 -0.44 3.33 -3.75 -1.08 5.02 -1.26 -4.78 118.16 115.19 1bld n LYS 27 Ca 0.15 -2.02 -0.13 0.00 -2.02 0.00 0.00 58.31 54.29 1bld n LYS 27 Cb 0.89 -1.90 -0.08 0.00 -0.02 0.00 0.00 35.03 33.92 1bld n LYS 27 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bld s ASP 28 N -0.59 -0.18 1.08 4.39 1.01 -1.26 -5.13 116.67 115.99 1bld s ASP 28 Ca 0.35 -0.01 -0.13 0.00 0.71 0.00 0.00 52.55 53.48 1bld s ASP 28 Cb 0.26 0.34 0.21 0.00 1.01 0.00 0.00 42.92 44.73 1bld s ASP 28 CO 0.12 -0.52 0.86 -0.81 0.21 0.00 0.00 175.17 175.03 1bld n PRO 29 N 0.98 -1.65 -3.71 8.23 -0.04 -1.26 -4.68 135.00 132.86 1bld n PRO 29 Ca -0.20 -0.44 -0.13 0.00 -0.04 0.00 0.00 63.50 62.68 1bld n PRO 29 Cb 0.57 -2.13 -0.13 0.00 -0.04 0.00 0.00 33.50 31.77 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 -4.26 0.18 -0.16 0.54 1.02 -1.15 -1.91 119.74 114.00 1bld s LYS 30 Ca 0.65 0.58 -0.25 0.00 0.02 0.00 0.00 55.97 56.98 1bld s LYS 30 Cb -0.23 -0.11 -0.02 0.00 -0.52 0.00 0.00 37.83 36.96 1bld s LYS 30 CO 0.64 -0.20 0.80 1.03 -0.92 0.00 0.00 175.35 176.70 1bld s ARG 31 N 1.60 4.31 -0.74 1.68 0.52 -1.01 -4.21 118.95 121.10 1bld s ARG 31 Ca -0.06 0.98 -0.24 0.00 -0.52 0.00 0.00 55.73 55.89 1bld s ARG 31 Cb -0.11 -3.56 0.06 0.00 0.52 0.00 0.00 34.95 31.86 1bld s ARG 31 CO -0.08 -0.27 1.13 -0.51 0.02 0.00 0.00 175.30 175.59 1bld s LEU 32 N 1.94 3.96 -0.27 2.53 1.43 -1.26 -2.37 118.68 124.64 1bld s LEU 32 Ca 0.38 -0.94 -0.18 0.00 -1.03 0.00 0.00 54.13 52.36 1bld s LEU 32 Cb -0.17 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 1bld s LEU 32 CO 0.13 -1.55 0.50 -0.47 0.23 0.00 0.00 176.35 175.20 1bld s TYR 33 N 4.58 3.26 -0.41 0.29 5.04 -1.25 -2.33 117.35 126.53 1bld s TYR 33 Ca 0.29 0.58 -0.24 0.00 -2.44 0.00 0.00 57.07 55.27 1bld s TYR 33 Cb -0.11 -2.72 0.02 0.00 0.35 0.00 0.00 41.96 39.49 1bld s TYR 33 CO 0.08 -0.29 0.83 0.00 -1.34 0.00 0.00 175.55 174.83 1bld h LYS 35 N 8.75 0.00 -5.64 0.00 3.64 -1.87 -2.35 116.57 119.10 1bld h LYS 35 Ca -0.24 0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 58.51 1bld h LYS 35 Cb 1.09 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.77 1bld h LYS 35 CO 0.96 0.00 0.47 -0.80 -2.27 0.00 0.00 179.45 177.80 1bld s ASN 36 N -4.71 6.29 0.00 4.20 0.01 -1.26 -3.70 114.94 115.77 1bld s ASN 36 Ca -0.02 -0.54 0.00 0.00 -0.71 0.00 0.00 52.86 51.59 1bld s ASN 36 Cb 0.09 -2.41 0.00 0.00 0.41 0.00 0.00 41.25 39.35 1bld s ASN 36 CO 0.36 -1.19 0.00 0.61 -1.51 0.00 0.00 177.10 175.36 1bld n GLY 37 N 5.16 0.76 3.16 0.66 0.00 -1.26 -4.36 105.19 109.30 1bld n GLY 37 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.47 -0.92 2.91 -0.02 0.00 -0.92 -5.00 105.19 98.76 1bld n GLY 38 Ca 0.00 0.71 -0.14 0.00 0.00 0.00 0.00 46.02 46.59 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 -1.56 -0.13 -0.26 1.61 0.08 -0.97 -4.70 117.98 112.06 1bld s PHE 39 Ca 0.18 0.42 -0.16 0.00 0.12 0.00 0.00 56.93 57.48 1bld s PHE 39 Cb -0.03 -0.09 -0.03 0.00 -0.57 0.00 0.00 43.02 42.30 1bld s PHE 39 CO 0.57 -0.15 0.44 -0.06 -0.10 0.00 0.00 175.22 175.92 1bld s PHE 40 N 1.06 3.27 0.42 0.36 0.40 -0.98 -0.66 117.98 121.86 1bld s PHE 40 Ca -0.08 0.53 -0.24 0.00 -0.60 0.00 0.00 56.93 56.54 1bld s PHE 40 Cb -0.11 -2.63 -0.11 0.00 0.51 0.00 0.00 43.02 40.68 1bld s PHE 40 CO -0.05 -0.22 0.87 -0.11 0.70 0.00 0.00 175.22 176.41 1bld n LEU 41 N 5.31 1.87 -3.67 -0.37 7.94 -0.99 -2.46 117.00 124.65 1bld n LEU 41 Ca -0.07 0.99 -0.13 0.00 -1.11 0.00 0.00 56.01 55.70 1bld n LEU 41 Cb 0.50 -1.28 -0.13 0.00 0.53 0.00 0.00 43.42 43.05 1bld n LEU 41 CO 0.39 -1.91 -0.10 -0.60 -1.11 0.00 0.00 177.39 174.06 1bld s ARG 42 N -1.91 0.18 -0.15 1.96 3.52 -0.47 -4.67 118.95 117.41 1bld s ARG 42 Ca 0.64 0.79 -0.14 0.00 -0.13 0.00 0.00 55.73 56.89 1bld s ARG 42 Cb -0.57 0.02 -0.05 0.00 -1.56 0.00 0.00 34.95 32.79 1bld s ARG 42 CO 0.57 -0.27 0.31 0.42 -0.81 0.00 0.00 175.30 175.52 1bld s ILE 43 N 2.39 5.29 0.24 4.11 1.01 -1.26 -1.54 121.20 131.43 1bld s ILE 43 Ca 0.00 0.59 -0.09 0.00 0.00 0.00 0.00 60.65 61.16 1bld s ILE 43 Cb -0.12 -3.65 -0.07 0.00 0.01 0.00 0.00 42.46 38.64 1bld s ILE 43 CO -0.09 0.40 0.54 -1.00 0.00 0.00 0.00 174.94 174.79 1bld s HIS 44 N 0.37 3.44 0.59 3.97 3.76 -0.30 -4.80 115.29 122.31 1bld s HIS 44 Ca 0.18 0.82 0.29 0.00 -0.15 0.00 0.00 55.06 56.19 1bld s HIS 44 Cb -0.13 -2.22 1.73 0.00 1.11 0.00 0.00 32.58 33.06 1bld s HIS 44 CO 0.05 0.26 2.18 -1.00 -0.85 0.00 0.00 174.74 175.37 1bld h PRO 45 N 2.39 0.00 0.00 8.40 0.13 -1.90 0.53 132.00 141.55 1bld h PRO 45 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1bld h PRO 45 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1bld h PRO 45 CO 0.69 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.06 1bld n ASP 46 N -3.86 0.00 0.00 1.44 5.68 -1.26 -4.83 116.55 113.72 1bld n ASP 46 Ca -0.01 -1.31 0.00 0.00 -0.50 0.00 0.00 54.79 52.97 1bld n ASP 46 Cb 0.19 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 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 0.31 2.15 3.30 6.12 0.00 0.18 -4.93 105.19 112.32 1bld n GLY 47 Ca 0.04 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.00 -3.90 1.61 5.12 -1.26 -1.97 116.66 116.26 1bld n ARG 48 Ca 0.00 0.03 -0.15 0.00 -1.93 0.00 0.00 57.85 55.80 1bld n ARG 48 Cb 0.00 -1.52 -0.15 0.00 -1.16 0.00 0.00 32.46 29.63 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 -2.10 0.09 0.00 1.55 1.01 -1.26 -1.15 120.40 118.54 1bld s VAL 49 Ca 0.55 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1bld s VAL 49 Cb -0.27 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1bld s VAL 49 CO 0.69 0.08 0.00 -0.90 0.00 0.00 0.00 175.10 174.97 1bld n ASP 50 N 3.69 0.00 -3.81 3.32 5.75 -0.59 -4.55 116.55 120.36 1bld n ASP 50 Ca -0.21 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.45 1bld n ASP 50 Cb 0.54 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.54 1bld n ASP 50 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1bld s GLY 51 N 0.00 -0.06 -0.03 6.12 0.00 -1.26 -1.37 107.32 110.72 1bld s GLY 51 Ca 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 44.72 44.74 1bld s GLY 51 CO 0.00 -0.07 0.19 -1.34 0.00 0.00 0.00 173.10 171.88 1bld s VAL 52 N -1.35 0.05 -1.36 1.40 -7.23 -1.03 -4.76 120.40 106.12 1bld s VAL 52 Ca -0.14 -0.39 0.30 0.00 -1.81 0.00 0.00 61.98 59.94 1bld s VAL 52 Cb -0.06 -0.40 0.47 0.00 0.56 0.00 0.00 36.38 36.94 1bld s VAL 52 CO 0.03 -0.21 2.02 0.54 -0.31 0.00 0.00 175.10 177.16 1bld n ARG 53 N 2.03 0.36 -1.57 4.82 1.74 -1.26 -2.31 116.66 120.47 1bld n ARG 53 Ca -0.19 -0.01 -0.43 0.00 -0.77 0.00 0.00 57.85 56.45 1bld n ARG 53 Cb 0.57 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.47 1bld n ARG 53 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1bld n GLU 54 N -1.31 1.71 -0.24 5.56 4.71 -1.26 -4.78 120.64 125.02 1bld n GLU 54 Ca 0.13 0.43 0.00 0.00 -0.01 0.00 0.00 57.16 57.71 1bld n GLU 54 Cb 0.26 -3.14 0.09 0.00 -1.01 0.00 0.00 31.44 27.64 1bld n GLU 54 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1bld n LYS 55 N 8.72 1.87 0.00 3.49 2.85 -1.26 -3.43 118.16 130.40 1bld n LYS 55 Ca 0.33 -0.80 0.00 0.00 -1.05 0.00 0.00 58.31 56.79 1bld n LYS 55 Cb 0.43 -1.62 0.00 0.00 -0.65 0.00 0.00 35.03 33.18 1bld n LYS 55 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1bld n SER 56 N 0.15 2.41 -4.37 -5.58 7.64 -1.26 -4.21 113.62 108.39 1bld n SER 56 Ca 0.09 0.00 -0.53 0.00 1.01 0.00 0.00 58.87 59.44 1bld n SER 56 Cb 0.55 0.48 -0.10 0.00 -1.01 0.00 0.00 64.21 64.12 1bld n SER 56 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1bld n ASP 57 N -0.73 1.24 0.00 6.43 8.00 -1.22 -4.69 116.55 125.57 1bld n ASP 57 Ca 0.00 0.46 0.02 0.00 0.71 0.00 0.00 54.79 55.98 1bld n ASP 57 Cb 0.01 -1.06 0.09 0.00 -0.02 0.00 0.00 41.12 40.14 1bld n ASP 57 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1bld n PRO 58 N 7.95 0.20 0.00 -0.24 -0.05 -1.26 -1.50 135.00 140.10 1bld n PRO 58 Ca 0.51 0.00 0.13 0.00 -0.05 0.00 0.00 63.50 64.09 1bld n PRO 58 Cb 0.09 -1.24 0.29 0.00 -0.05 0.00 0.00 33.50 32.59 1bld n PRO 58 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 1bld n HIS 59 N -0.74 0.00 1.40 0.54 8.25 -1.26 -3.81 115.22 119.60 1bld n HIS 59 Ca 0.02 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.62 1bld n HIS 59 Cb 0.01 -0.05 0.46 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.05 0.00 -2.47 1.59 -5.35 -0.56 -4.14 119.36 108.38 1bld n ILE 60 Ca 0.13 -0.23 -0.39 0.00 -0.27 0.00 0.00 62.75 61.99 1bld n ILE 60 Cb 0.41 0.53 -0.03 0.00 -1.74 0.00 0.00 39.64 38.81 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 -2.15 3.52 -0.11 6.28 -0.14 -1.25 -4.65 119.74 121.24 1bld s LYS 61 Ca 0.33 -1.30 -0.18 0.00 -1.36 0.00 0.00 55.97 53.46 1bld s LYS 61 Cb 0.20 -5.37 -0.04 0.00 -1.68 0.00 0.00 37.83 30.94 1bld s LYS 61 CO 0.39 -2.48 0.47 -0.51 -0.76 0.00 0.00 175.35 172.46 1bld s LEU 62 N 5.74 4.29 -0.42 3.17 1.43 -1.26 -2.74 118.68 128.90 1bld s LEU 62 Ca 0.53 0.83 -0.22 0.00 -1.03 0.00 0.00 54.13 54.24 1bld s LEU 62 Cb 0.00 -2.69 0.02 0.00 0.03 0.00 0.00 46.19 43.56 1bld s LEU 62 CO -0.02 0.03 0.71 -1.58 0.23 0.00 0.00 176.35 175.72 1bld s GLN 63 N 0.48 3.46 0.31 1.70 2.00 0.21 -2.93 119.66 124.88 1bld s GLN 63 Ca 0.26 -0.11 -0.08 0.00 -2.00 0.00 0.00 55.36 53.43 1bld s GLN 63 Cb -0.15 -3.90 -0.06 0.00 0.80 0.00 0.00 33.01 29.69 1bld s GLN 63 CO 0.11 -0.98 0.61 -0.51 -0.50 0.00 0.00 175.29 174.01 1bld s LEU 64 N 3.02 4.02 -0.08 3.68 1.02 -1.26 -1.29 118.68 127.79 1bld s LEU 64 Ca 0.27 0.88 -0.04 0.00 0.02 0.00 0.00 54.13 55.25 1bld s LEU 64 Cb -0.13 -3.70 0.04 0.00 0.02 0.00 0.00 46.19 42.42 1bld s LEU 64 CO 0.19 -0.22 0.19 -1.58 0.02 0.00 0.00 176.35 174.95 1bld s GLN 65 N -3.46 0.15 -0.15 1.70 0.74 -0.25 -4.87 119.66 113.52 1bld s GLN 65 Ca 0.47 0.43 -0.28 0.00 0.05 0.00 0.00 55.36 56.02 1bld s GLN 65 Cb -0.11 -0.13 -0.01 0.00 1.10 0.00 0.00 33.01 33.87 1bld s GLN 65 CO 0.28 -0.15 0.95 0.00 -0.55 0.00 0.00 175.29 175.82 1bld s ALA 66 N 1.11 3.50 0.00 1.58 0.00 -1.26 -0.17 121.76 126.52 1bld s ALA 66 Ca -0.08 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1bld s ALA 66 Cb -0.10 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1bld s ALA 66 CO -0.06 -0.71 0.00 0.39 0.00 0.00 0.00 175.76 175.38 1bld n GLU 67 N 5.34 0.00 -1.25 0.00 -0.58 -0.98 -4.91 120.64 118.25 1bld n GLU 67 Ca 0.08 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.72 1bld n GLU 67 Cb 0.48 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 31.41 1bld n GLU 67 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1bld n GLU 68 N 0.00 0.13 -2.47 3.49 -0.58 -1.26 -4.96 120.64 114.99 1bld n GLU 68 Ca 0.00 -1.03 -0.43 0.00 -0.42 0.00 0.00 57.16 55.28 1bld n GLU 68 Cb 0.00 -0.33 -0.02 0.00 -0.57 0.00 0.00 31.44 30.51 1bld n GLU 68 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1bld s ARG 69 N -3.64 3.78 0.00 3.49 3.00 -1.26 -2.89 118.95 121.43 1bld s ARG 69 Ca 0.27 0.96 0.00 0.00 0.00 0.00 0.00 55.73 56.97 1bld s ARG 69 Cb -0.01 -3.92 0.00 0.00 0.00 0.00 0.00 34.95 31.02 1bld s ARG 69 CO 0.18 -1.30 0.00 0.41 0.00 0.00 0.00 175.30 174.59 1bld n GLY 70 N 4.64 1.11 3.11 -3.53 0.00 -1.26 -5.08 105.19 104.17 1bld n GLY 70 Ca 0.14 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 0.02 -0.04 1.61 1.01 -1.14 -4.13 120.40 115.73 1bld s VAL 71 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 1bld s VAL 71 Cb 0.00 -0.35 0.03 0.00 0.00 0.00 0.00 36.38 36.06 1bld s VAL 71 CO 0.00 -0.09 0.06 0.68 0.00 0.00 0.00 175.10 175.75 1bld s VAL 72 N -0.27 -0.09 -0.16 2.92 -7.23 -1.26 -2.33 120.40 111.99 1bld s VAL 72 Ca -0.04 0.30 -0.17 0.00 -1.81 0.00 0.00 61.98 60.27 1bld s VAL 72 Cb -0.03 -0.14 -0.04 0.00 0.56 0.00 0.00 36.38 36.73 1bld s VAL 72 CO 0.01 0.12 0.42 -0.44 -0.31 0.00 0.00 175.10 174.90 1bld s SER 73 N 1.56 6.55 0.17 4.85 0.01 0.77 -3.95 113.70 123.65 1bld s SER 73 Ca -0.03 0.65 -0.07 0.00 1.31 0.00 0.00 55.95 57.81 1bld s SER 73 Cb -0.12 -2.25 -0.06 0.00 0.21 0.00 0.00 66.02 63.80 1bld s SER 73 CO -0.04 -0.01 0.44 -0.63 0.41 0.00 0.00 173.24 173.41 1bld s ILE 74 N 0.86 5.08 -0.10 1.44 1.01 -1.26 -1.09 121.20 127.13 1bld s ILE 74 Ca 0.22 0.22 -0.06 0.00 0.00 0.00 0.00 60.65 61.02 1bld s ILE 74 Cb -0.14 -3.62 0.04 0.00 0.01 0.00 0.00 42.46 38.74 1bld s ILE 74 CO 0.08 0.02 0.24 -0.75 0.00 0.00 0.00 174.94 174.53 1bld s LYS 75 N -2.66 0.23 0.17 2.79 2.20 -0.41 -3.59 119.74 118.48 1bld s LYS 75 Ca 0.43 0.44 -0.30 0.00 -0.36 0.00 0.00 55.97 56.18 1bld s LYS 75 Cb -0.12 -0.01 -0.07 0.00 -1.51 0.00 0.00 37.83 36.11 1bld s LYS 75 CO 0.23 -0.11 1.04 0.20 -0.36 0.00 0.00 175.35 176.35 1bld s GLY 76 N 0.77 2.94 -0.09 5.54 0.00 -0.03 0.65 107.32 117.09 1bld s GLY 76 Ca -0.05 0.73 -0.11 0.00 0.00 0.00 0.00 44.72 45.29 1bld s GLY 76 CO -0.05 1.54 0.37 -2.08 0.00 0.00 0.00 173.10 172.88 1bld h VAL 77 N 3.70 0.51 0.00 1.40 2.07 -1.86 0.01 116.25 122.08 1bld h VAL 77 Ca -0.44 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 65.82 1bld h VAL 77 Cb 1.21 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1bld h VAL 77 CO 0.71 0.16 -0.11 0.28 0.02 0.00 0.00 177.57 178.63 1bld h SER 78 N -1.00 0.00 0.62 0.57 0.02 -1.84 -3.22 113.55 108.71 1bld h SER 78 Ca -0.01 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.82 1bld h SER 78 Cb 0.34 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1bld h SER 78 CO 0.02 0.01 -1.46 0.00 -1.14 0.00 0.00 176.83 174.25 1bld n ALA 79 N -1.98 2.20 -3.83 3.77 0.00 -1.25 -4.89 120.51 114.53 1bld n ALA 79 Ca 0.04 -0.51 -0.24 0.00 0.00 0.00 0.00 53.44 52.73 1bld n ALA 79 Cb 0.49 -0.91 0.01 0.00 0.00 0.00 0.00 19.45 19.04 1bld n ALA 79 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1bld n ASN 80 N -2.72 -0.84 -3.83 0.00 5.03 -0.01 -4.89 115.26 108.01 1bld n ASN 80 Ca -0.08 -0.91 -0.12 0.00 0.87 0.00 0.00 54.58 54.34 1bld n ASN 80 Cb 0.74 -3.56 -0.10 0.00 -1.02 0.00 0.00 39.78 35.84 1bld n ASN 80 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1bld s ARG 81 N -6.28 0.51 -0.07 3.52 0.52 -1.24 -4.58 118.95 111.33 1bld s ARG 81 Ca 0.03 -0.23 -0.18 0.00 -0.52 0.00 0.00 55.73 54.82 1bld s ARG 81 Cb -0.01 0.22 -0.05 0.00 0.52 0.00 0.00 34.95 35.63 1bld s ARG 81 CO 0.85 -0.12 0.48 0.71 0.02 0.00 0.00 175.30 177.24 1bld s TYR 82 N -1.15 3.58 0.34 -0.53 1.51 0.15 -0.85 117.35 120.40 1bld s TYR 82 Ca -0.12 0.96 -0.29 0.00 -1.01 0.00 0.00 57.07 56.61 1bld s TYR 82 Cb -0.06 -2.51 -0.10 0.00 -0.11 0.00 0.00 41.96 39.18 1bld s TYR 82 CO 0.02 0.29 1.37 -1.17 -1.11 0.00 0.00 175.55 174.95 1bld s LEU 83 N 0.15 4.39 -0.14 -1.29 2.96 -1.24 -2.34 118.68 121.17 1bld s LEU 83 Ca 0.26 2.79 -0.10 0.00 -0.22 0.00 0.00 54.13 56.86 1bld s LEU 83 Cb -0.16 -3.65 0.04 0.00 0.50 0.00 0.00 46.19 42.92 1bld s LEU 83 CO 0.12 -0.64 0.35 0.00 -1.32 0.00 0.00 176.35 174.86 1bld s ALA 84 N -1.03 -0.87 -0.19 5.97 0.00 -0.21 -4.35 121.76 121.08 1bld s ALA 84 Ca 0.51 1.17 -0.15 0.00 0.00 0.00 0.00 51.96 53.49 1bld s ALA 84 Cb -0.42 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 1bld s ALA 84 CO 0.55 -0.20 0.36 1.41 0.00 0.00 0.00 175.76 177.87 1bld s MET 85 N 0.78 4.19 0.76 0.00 1.75 -1.14 -1.97 119.30 123.67 1bld s MET 85 Ca -0.05 0.15 -0.13 0.00 -1.25 0.00 0.00 55.69 54.41 1bld s MET 85 Cb -0.06 -3.51 0.20 0.00 2.84 0.00 0.00 34.83 34.30 1bld s MET 85 CO -0.05 0.03 0.48 1.63 -0.65 0.00 0.00 175.02 176.45 1bld n LYS 86 N 4.25 -3.31 0.05 4.11 4.76 -0.46 -4.89 118.16 122.68 1bld n LYS 86 Ca -0.10 -0.79 0.11 0.00 -2.87 0.00 0.00 58.31 54.67 1bld n LYS 86 Cb 0.51 -0.98 0.04 0.00 -1.84 0.00 0.00 35.03 32.76 1bld n LYS 86 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1bld n GLU 87 N -3.89 0.40 0.00 1.97 0.28 -1.26 -4.18 120.64 113.95 1bld n GLU 87 Ca 0.07 0.04 -0.21 0.00 -0.16 0.00 0.00 57.16 56.89 1bld n GLU 87 Cb 0.32 -1.67 -0.14 0.00 1.43 0.00 0.00 31.44 31.38 1bld n GLU 87 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1bld n ASP 88 N -2.20 2.13 0.00 -1.84 5.75 -1.26 -4.97 116.55 114.15 1bld n ASP 88 Ca 0.01 0.22 0.00 0.00 -0.01 0.00 0.00 54.79 55.01 1bld n ASP 88 Cb 0.48 -0.87 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 1bld n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bld n GLY 89 N 1.98 0.26 3.68 6.12 0.00 -1.26 -4.71 105.19 111.27 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 4.29 -0.08 1.61 0.52 -1.26 -3.42 118.95 120.61 1bld s ARG 90 Ca 0.00 1.78 -0.17 0.00 -0.52 0.00 0.00 55.73 56.82 1bld s ARG 90 Cb 0.00 -3.64 -0.05 0.00 0.52 0.00 0.00 34.95 31.78 1bld s ARG 90 CO 0.00 -0.57 0.44 -0.51 0.02 0.00 0.00 175.30 174.68 1bld s LEU 91 N 2.69 4.33 0.00 2.53 1.02 -1.26 -1.35 118.68 126.64 1bld s LEU 91 Ca 0.59 0.84 -0.01 0.00 0.02 0.00 0.00 54.13 55.57 1bld s LEU 91 Cb -0.26 -2.64 0.00 0.00 0.02 0.00 0.00 46.19 43.31 1bld s LEU 91 CO 0.22 0.10 0.14 0.00 0.02 0.00 0.00 176.35 176.83 1bld n LEU 92 N 3.11 0.00 -4.09 1.79 -0.00 -0.83 -4.16 117.00 112.82 1bld n LEU 92 Ca -0.09 -0.79 -0.08 0.00 -0.00 0.00 0.00 56.01 55.04 1bld n LEU 92 Cb 0.52 0.71 -0.10 0.00 -0.00 0.00 0.00 43.42 44.55 1bld n LEU 92 CO 0.41 -0.18 -0.37 0.00 -0.00 0.00 0.00 177.39 177.25 1bld s ALA 93 N -1.90 0.54 0.22 1.47 0.00 -0.83 -1.04 121.76 120.21 1bld s ALA 93 Ca 0.08 -1.12 -0.07 0.00 0.00 0.00 0.00 51.96 50.85 1bld s ALA 93 Cb -0.00 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 1bld s ALA 93 CO 0.06 -0.30 0.31 -1.12 0.00 0.00 0.00 175.76 174.71 1bld s SER 94 N -2.67 0.03 -0.01 0.00 0.01 -0.99 -4.64 113.70 105.44 1bld s SER 94 Ca 0.04 -1.16 -0.06 0.00 1.31 0.00 0.00 55.95 56.08 1bld s SER 94 Cb 0.04 0.49 -0.29 0.00 0.21 0.00 0.00 66.02 66.47 1bld s SER 94 CO -0.07 -0.99 0.79 0.11 0.41 0.00 0.00 173.24 173.49 1bld h LYS 95 N 2.43 0.31 -6.76 12.44 1.57 -1.89 0.42 116.57 125.09 1bld h LYS 95 Ca -0.31 -0.53 -0.49 0.00 -1.87 0.00 0.00 60.65 57.46 1bld h LYS 95 Cb 1.25 0.20 -0.03 0.00 0.08 0.00 0.00 32.23 33.73 1bld h LYS 95 CO 0.44 1.19 0.13 -1.12 -0.57 0.00 0.00 179.45 179.52 1bld s SER 96 N -7.10 6.81 0.71 0.86 0.01 -1.26 -4.66 113.70 109.07 1bld s SER 96 Ca -0.11 1.34 -0.11 0.00 1.31 0.00 0.00 55.95 58.38 1bld s SER 96 Cb 0.06 -2.40 0.01 0.00 0.21 0.00 0.00 66.02 63.91 1bld s SER 96 CO 0.86 -0.21 1.07 -0.69 0.41 0.00 0.00 173.24 174.68 1bld s VAL 97 N -1.98 3.82 0.33 3.43 1.01 -1.26 -4.77 120.40 120.98 1bld s VAL 97 Ca 0.54 0.59 -0.02 0.00 0.00 0.00 0.00 61.98 63.09 1bld s VAL 97 Cb -0.10 -3.44 -0.00 0.00 0.00 0.00 0.00 36.38 32.83 1bld s VAL 97 CO 0.17 -0.77 0.45 0.42 0.00 0.00 0.00 175.10 175.37 1bld s THR 98 N -3.17 0.00 0.04 3.92 -4.23 -1.26 -5.03 115.64 105.91 1bld s THR 98 Ca 0.58 -1.64 0.16 0.00 -1.18 0.00 0.00 61.69 59.61 1bld s THR 98 Cb -0.13 -2.60 0.06 0.00 1.34 0.00 0.00 72.50 71.17 1bld s THR 98 CO 0.54 0.00 1.56 0.44 -0.54 0.00 0.00 174.62 176.62 1bld h ASP 99 N 2.14 0.00 -0.38 3.99 3.32 -2.00 -2.96 116.42 120.53 1bld h ASP 99 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1bld h ASP 99 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1bld h ASP 99 CO 0.39 0.51 0.00 -0.62 -1.72 0.00 0.00 179.24 177.80 1bld n GLU 100 N -3.40 3.49 0.01 3.56 4.71 -1.26 -3.91 120.64 123.83 1bld n GLU 100 Ca 0.01 -2.04 0.11 0.00 -0.01 0.00 0.00 57.16 55.23 1bld n GLU 100 Cb 0.65 -1.98 0.07 0.00 -1.01 0.00 0.00 31.44 29.18 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 -3.08 3.51 -0.18 0.00 0.40 -1.25 -4.43 117.98 112.95 1bld s PHE 102 Ca 0.07 0.44 -0.05 0.00 -0.60 0.00 0.00 56.93 56.80 1bld s PHE 102 Cb 0.16 -1.97 0.09 0.00 0.51 0.00 0.00 43.02 41.81 1bld s PHE 102 CO 0.78 0.07 0.32 -0.06 0.70 0.00 0.00 175.22 177.02 1bld s PHE 103 N -2.36 -0.57 0.40 0.36 0.40 -1.25 -3.93 117.98 111.02 1bld s PHE 103 Ca 0.41 0.95 -0.26 0.00 -0.60 0.00 0.00 56.93 57.43 1bld s PHE 103 Cb -0.10 0.00 -0.11 0.00 0.51 0.00 0.00 43.02 43.33 1bld s PHE 103 CO 0.37 -0.50 1.18 1.19 0.70 0.00 0.00 175.22 178.15 1bld n PHE 104 N 5.36 1.80 -4.83 0.36 3.72 0.23 -4.11 117.46 119.99 1bld n PHE 104 Ca -0.06 0.54 -0.26 0.00 -0.05 0.00 0.00 57.45 57.62 1bld n PHE 104 Cb 0.50 -2.33 -0.15 0.00 -0.94 0.00 0.00 39.48 36.56 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 -2.05 1.49 -0.08 -1.08 2.12 -1.26 0.44 118.70 118.28 1bld s GLU 105 Ca 0.61 -0.77 -0.09 0.00 0.36 0.00 0.00 54.97 55.08 1bld s GLU 105 Cb -0.55 -1.49 0.02 0.00 0.26 0.00 0.00 34.13 32.37 1bld s GLU 105 CO 0.58 0.40 0.24 0.50 -0.54 0.00 0.00 175.26 176.45 1bld s ARG 106 N -0.69 0.35 -0.08 4.30 3.52 -1.03 -4.93 118.95 120.39 1bld s ARG 106 Ca 0.07 0.22 -0.12 0.00 -0.13 0.00 0.00 55.73 55.77 1bld s ARG 106 Cb -0.08 0.16 -0.05 0.00 -1.56 0.00 0.00 34.95 33.43 1bld s ARG 106 CO 0.00 -0.06 0.30 -1.17 -0.81 0.00 0.00 175.30 173.56 1bld s LEU 107 N -0.17 4.39 0.00 -0.88 0.20 -1.26 -1.28 118.68 119.67 1bld s LEU 107 Ca -0.03 0.70 0.02 0.00 0.69 0.00 0.00 54.13 55.51 1bld s LEU 107 Cb -0.03 -2.38 0.08 0.00 -0.43 0.00 0.00 46.19 43.43 1bld s LEU 107 CO 0.01 0.29 0.57 -0.62 -0.29 0.00 0.00 176.35 176.30 1bld n GLU 108 N 2.34 0.39 -1.07 1.98 1.02 -0.93 -4.98 120.64 119.39 1bld n GLU 108 Ca -0.15 -1.76 -0.24 0.00 -0.02 0.00 0.00 57.16 54.99 1bld n GLU 108 Cb 0.53 -0.31 0.07 0.00 -0.02 0.00 0.00 31.44 31.71 1bld n GLU 108 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1bld n SER 109 N -2.81 6.48 -1.49 1.62 3.41 -1.26 -4.09 113.62 115.47 1bld n SER 109 Ca 0.10 -3.38 0.00 0.00 -0.26 0.00 0.00 58.87 55.33 1bld n SER 109 Cb 0.36 -0.97 -0.00 0.00 -0.26 0.00 0.00 64.21 63.34 1bld n SER 109 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1bld n ASN 110 N -0.35 0.34 0.00 4.04 3.02 -1.26 -4.95 115.26 116.10 1bld n ASN 110 Ca 0.46 -2.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.00 1bld n ASN 110 Cb 0.75 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 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 0.19 0.00 -4.69 6.41 4.13 -1.26 -4.90 115.26 115.14 1bld n ASN 111 Ca -0.05 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 55.83 1bld n ASN 111 Cb 0.98 -2.21 -0.07 0.00 -1.54 0.00 0.00 39.78 36.93 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 -1.14 3.40 0.52 3.10 2.02 -1.26 -4.90 117.35 119.09 1bld s TYR 112 Ca 0.00 0.60 0.01 0.00 -0.37 0.00 0.00 57.07 57.31 1bld s TYR 112 Cb 0.00 -2.46 0.02 0.00 -0.40 0.00 0.00 41.96 39.13 1bld s TYR 112 CO 0.00 0.07 0.74 -0.80 -1.57 0.00 0.00 175.55 173.99 1bld s ASN 113 N 0.87 5.41 0.10 2.29 0.01 -1.05 -2.18 114.94 120.38 1bld s ASN 113 Ca 0.18 0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.36 1bld s ASN 113 Cb -0.14 -0.99 -0.04 0.00 0.41 0.00 0.00 41.25 40.48 1bld s ASN 113 CO 0.07 -1.03 -0.03 0.42 -1.51 0.00 0.00 177.10 175.02 1bld s THR 114 N -2.69 0.45 -0.18 1.60 -4.23 -0.41 -2.86 115.64 107.32 1bld s THR 114 Ca 0.55 -1.90 -0.04 0.00 -1.18 0.00 0.00 61.69 59.12 1bld s THR 114 Cb -0.10 -1.75 0.06 0.00 1.34 0.00 0.00 72.50 72.05 1bld s THR 114 CO 0.38 -0.79 0.07 -0.31 -0.54 0.00 0.00 174.62 173.42 1bld s TYR 115 N -3.79 0.53 0.09 3.99 2.02 -1.26 -2.46 117.35 116.47 1bld s TYR 115 Ca 0.14 -0.54 -0.03 0.00 -0.37 0.00 0.00 57.07 56.27 1bld s TYR 115 Cb 0.07 -0.83 -0.05 0.00 -0.40 0.00 0.00 41.96 40.75 1bld s TYR 115 CO -0.04 -0.55 0.29 1.03 -1.57 0.00 0.00 175.55 174.70 1bld s ARG 116 N 2.02 3.54 0.75 -0.62 0.52 0.17 -2.53 118.95 122.80 1bld s ARG 116 Ca 0.01 -0.24 -0.11 0.00 -0.52 0.00 0.00 55.73 54.87 1bld s ARG 116 Cb -0.16 -2.96 0.04 0.00 0.52 0.00 0.00 34.95 32.38 1bld s ARG 116 CO -0.09 0.55 1.08 0.45 0.02 0.00 0.00 175.30 177.32 1bld s SER 117 N -2.35 4.95 0.00 0.23 0.15 -1.07 0.77 113.70 116.38 1bld s SER 117 Ca 0.36 1.41 0.00 0.00 0.70 0.00 0.00 55.95 58.43 1bld s SER 117 Cb -0.13 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1bld s SER 117 CO 0.25 -1.69 0.00 -1.14 1.20 0.00 0.00 173.24 171.86 1bld n ARG 118 N -3.26 0.00 0.00 5.44 0.63 -1.25 -2.79 116.66 115.42 1bld n ARG 118 Ca 0.07 0.03 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1bld n ARG 118 Cb 0.55 -0.26 0.00 0.00 0.45 0.00 0.00 32.46 33.20 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 -1.41 0.00 -3.13 -0.14 3.00 -1.26 -1.68 118.16 113.54 1bld n LYS 119 Ca 0.00 0.28 -0.17 0.00 -0.00 0.00 0.00 58.31 58.42 1bld n LYS 119 Cb 0.00 -1.72 -0.02 0.00 0.00 0.00 0.00 35.03 33.30 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 -1.28 -0.09 0.21 5.64 4.01 -1.26 -4.91 117.16 119.48 1bld n TYR 120 Ca 0.00 -3.62 0.01 0.00 -0.16 0.00 0.00 57.90 54.13 1bld n TYR 120 Cb 0.22 -0.22 0.09 0.00 -0.31 0.00 0.00 39.34 39.12 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 0.28 0.00 0.41 -0.72 -2.24 -0.67 -1.63 114.28 109.70 1bld n THR 121 Ca 0.23 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.05 1bld n THR 121 Cb 0.67 -0.90 0.19 0.00 -2.10 0.00 0.00 70.33 68.19 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 -0.95 2.74 -3.67 3.42 7.64 -1.26 -4.80 113.62 116.73 1bld n SER 122 Ca 0.02 -2.24 -0.14 0.00 1.01 0.00 0.00 58.87 57.52 1bld n SER 122 Cb 0.01 -0.43 -0.08 0.00 -1.01 0.00 0.00 64.21 62.70 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 -1.70 -0.54 0.23 1.43 0.51 -0.65 -4.98 118.94 113.25 1bld s TRP 123 Ca 0.27 1.20 0.07 0.00 -2.12 0.00 0.00 56.10 55.52 1bld s TRP 123 Cb 0.17 0.23 -0.04 0.00 -0.81 0.00 0.00 33.47 33.02 1bld s TRP 123 CO 0.13 -0.37 0.13 0.71 -0.51 0.00 0.00 176.95 177.05 1bld s TYR 124 N -0.26 3.02 -0.02 -1.98 1.51 -1.26 -2.61 117.35 115.74 1bld s TYR 124 Ca -0.04 -0.12 -0.25 0.00 -1.01 0.00 0.00 57.07 55.65 1bld s TYR 124 Cb -0.03 -1.38 -0.04 0.00 -0.11 0.00 0.00 41.96 40.40 1bld s TYR 124 CO 0.03 0.54 0.77 0.08 -1.11 0.00 0.00 175.55 175.86 1bld s VAL 125 N -2.08 4.93 0.21 0.71 1.01 -1.05 -4.74 120.40 119.40 1bld s VAL 125 Ca 0.32 1.62 -0.00 0.00 0.00 0.00 0.00 61.98 63.91 1bld s VAL 125 Cb -0.08 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.19 1bld s VAL 125 CO 0.23 0.26 0.28 0.00 0.00 0.00 0.00 175.10 175.87 1bld n ALA 126 N 3.55 -0.13 -2.14 5.51 0.00 -1.26 -4.66 120.51 121.37 1bld n ALA 126 Ca -0.00 -0.99 -0.08 0.00 0.00 0.00 0.00 53.44 52.37 1bld n ALA 126 Cb 0.51 0.80 -0.10 0.00 0.00 0.00 0.00 19.45 20.66 1bld n ALA 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bld s LEU 127 N 0.00 2.21 0.70 0.00 1.43 -1.26 -3.84 118.68 117.91 1bld s LEU 127 Ca 0.18 -1.03 -0.03 0.00 -1.03 0.00 0.00 54.13 52.21 1bld s LEU 127 Cb -0.00 0.29 0.09 0.00 0.03 0.00 0.00 46.19 46.60 1bld s LEU 127 CO 0.13 -0.65 0.98 -0.54 0.23 0.00 0.00 176.35 176.50 1bld s LYS 128 N -3.95 1.92 -0.14 1.70 -0.14 -0.19 -4.72 119.74 114.22 1bld s LYS 128 Ca 0.12 -0.72 0.09 0.00 -1.36 0.00 0.00 55.97 54.10 1bld s LYS 128 Cb 0.08 -2.27 0.52 0.00 -1.68 0.00 0.00 37.83 34.47 1bld s LYS 128 CO -0.07 -1.31 1.31 2.89 -0.76 0.00 0.00 175.35 177.41 1bld n ARG 129 N -2.84 3.41 -0.12 1.68 1.85 -1.26 -3.78 116.66 115.60 1bld n ARG 129 Ca 0.11 -2.01 0.05 0.00 -1.00 0.00 0.00 57.85 55.00 1bld n ARG 129 Cb 0.60 -1.95 0.07 0.00 -1.05 0.00 0.00 32.46 30.14 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 0.45 1.18 -2.81 8.89 5.66 -1.26 -4.98 114.28 121.41 1bld n THR 130 Ca 0.18 -1.37 -0.08 0.00 -3.05 0.00 0.00 64.05 59.72 1bld n THR 130 Cb 0.83 0.18 0.03 0.00 -1.55 0.00 0.00 70.33 69.81 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 -0.84 0.32 3.14 1.09 0.00 -1.25 -5.05 105.19 102.61 1bld n GLY 131 Ca 0.08 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 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 -5.21 0.74 -0.23 1.61 -1.52 -1.26 -4.22 119.66 109.57 1bld s GLN 132 Ca 0.16 -1.08 -0.28 0.00 -1.95 0.00 0.00 55.36 52.21 1bld s GLN 132 Cb -0.07 -0.37 0.01 0.00 -0.22 0.00 0.00 33.01 32.35 1bld s GLN 132 CO 0.27 0.05 1.00 1.52 -0.25 0.00 0.00 175.29 177.88 1bld s TYR 133 N -2.41 3.34 0.06 0.91 1.13 -1.26 -1.02 117.35 118.10 1bld s TYR 133 Ca 0.02 1.41 -0.31 0.00 -1.41 0.00 0.00 57.07 56.79 1bld s TYR 133 Cb -0.03 -3.23 -0.07 0.00 -1.10 0.00 0.00 41.96 37.53 1bld s TYR 133 CO -0.01 -0.46 1.40 0.21 -2.51 0.00 0.00 175.55 174.18 1bld s LYS 134 N 3.10 4.30 0.37 -3.49 2.20 -1.25 -4.84 119.74 120.13 1bld s LYS 134 Ca 0.43 2.03 -0.25 0.00 -0.36 0.00 0.00 55.97 57.81 1bld s LYS 134 Cb -0.15 -3.41 -0.12 0.00 -1.51 0.00 0.00 37.83 32.63 1bld s LYS 134 CO 0.07 -0.50 0.92 -0.11 -0.36 0.00 0.00 175.35 175.36 1bld n LEU 135 N 4.65 1.78 -0.23 5.43 7.94 -1.26 -4.76 117.00 130.55 1bld n LEU 135 Ca 0.12 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 56.09 1bld n LEU 135 Cb 0.43 -1.28 0.00 0.00 0.53 0.00 0.00 43.42 43.10 1bld n LEU 135 CO 0.59 -1.72 0.25 0.61 -1.11 0.00 0.00 177.39 176.00 1bld n GLY 136 N 1.31 0.09 0.11 -3.96 0.00 -1.22 -2.83 105.19 98.69 1bld n GLY 136 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 1bld n GLY 136 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bld n SER 137 N -0.19 2.03 -0.07 1.61 3.41 -1.26 -4.42 113.62 114.73 1bld n SER 137 Ca 0.00 -0.11 0.12 0.00 -0.26 0.00 0.00 58.87 58.63 1bld n SER 137 Cb 0.07 -0.18 0.28 0.00 -0.26 0.00 0.00 64.21 64.12 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 -3.09 0.23 -2.27 4.33 5.02 -1.13 -4.89 118.16 116.36 1bld n LYS 138 Ca -0.38 -0.13 -0.38 0.00 -2.02 0.00 0.00 58.31 55.40 1bld n LYS 138 Cb 0.95 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.44 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 -2.87 3.11 -2.22 -0.18 -4.23 -1.18 -4.98 115.64 103.10 1bld s THR 139 Ca 0.15 0.88 0.00 0.00 -1.18 0.00 0.00 61.69 61.54 1bld s THR 139 Cb 0.18 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.55 1bld s THR 139 CO 0.65 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 175.38 1bld n GLY 140 N 0.53 -1.90 1.53 3.99 0.00 -1.26 -4.61 105.19 103.47 1bld n GLY 140 Ca 0.06 -1.15 -0.15 0.00 0.00 0.00 0.00 46.02 44.78 1bld n GLY 140 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bld n PRO 141 N -0.43 -3.26 0.00 1.61 -0.04 -1.26 -3.50 135.00 128.12 1bld n PRO 141 Ca 0.00 -0.71 0.00 0.00 -0.04 0.00 0.00 63.50 62.75 1bld n PRO 141 Cb 0.00 -0.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1bld n PRO 141 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bld n GLY 142 N -2.59 1.22 3.77 0.55 0.00 -1.26 -4.90 105.19 101.99 1bld n GLY 142 Ca 0.07 0.00 -0.38 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 0.00 4.14 0.00 1.61 -1.52 -1.23 -4.94 119.66 117.72 1bld s GLN 143 Ca 0.00 0.38 0.29 0.00 -1.95 0.00 0.00 55.36 54.08 1bld s GLN 143 Cb 0.00 -3.34 1.74 0.00 -0.22 0.00 0.00 33.01 31.19 1bld s GLN 143 CO 0.00 0.41 2.09 1.63 -0.25 0.00 0.00 175.29 179.17 1bld n LYS 144 N 2.82 0.88 0.00 2.91 5.02 -1.26 -3.52 118.16 125.01 1bld n LYS 144 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1bld n LYS 144 Cb 0.52 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.04 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 -1.02 1.16 1.03 7.82 0.00 -1.26 -0.22 120.51 128.02 1bld n ALA 145 Ca 0.21 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.78 1bld n ALA 145 Cb 0.11 -1.00 0.29 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.35 0.15 -3.07 0.00 -5.35 -1.23 -4.18 119.36 104.32 1bld n ILE 146 Ca 0.00 -0.46 -0.43 0.00 -0.27 0.00 0.00 62.75 61.59 1bld n ILE 146 Cb 0.00 0.90 -0.06 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 -1.80 4.44 0.35 7.28 1.43 0.70 -4.53 118.68 126.55 1bld s LEU 147 Ca 0.34 -0.28 0.09 0.00 -1.03 0.00 0.00 54.13 53.24 1bld s LEU 147 Cb 0.20 -2.79 -0.06 0.00 0.03 0.00 0.00 46.19 43.58 1bld s LEU 147 CO 0.31 -0.81 0.00 -0.36 0.23 0.00 0.00 176.35 175.72 1bld s PHE 148 N 2.93 2.52 -0.41 0.29 0.40 -1.13 -3.35 117.98 119.23 1bld s PHE 148 Ca 0.24 -0.47 0.07 0.00 -0.60 0.00 0.00 56.93 56.18 1bld s PHE 148 Cb -0.14 -1.51 0.24 0.00 0.51 0.00 0.00 43.02 42.13 1bld s PHE 148 CO 0.20 0.48 0.59 -0.11 0.70 0.00 0.00 175.22 177.08 1bld n LEU 149 N -0.94 -0.56 -4.62 -0.37 7.94 -0.82 -2.54 117.00 115.09 1bld n LEU 149 Ca -0.04 -4.36 -0.43 0.00 -1.11 0.00 0.00 56.01 50.07 1bld n LEU 149 Cb 0.63 0.68 -0.03 0.00 0.53 0.00 0.00 43.42 45.23 1bld n LEU 149 CO 0.44 2.04 1.70 -2.84 -1.11 0.00 0.00 177.39 177.62 1bld s PRO 150 N -0.69 3.45 -0.17 1.96 0.02 -1.26 -3.87 135.00 134.44 1bld s PRO 150 Ca 0.34 2.04 -0.13 0.00 0.02 0.00 0.00 61.00 63.27 1bld s PRO 150 Cb 0.17 -4.27 -0.05 0.00 0.02 0.00 0.00 34.50 30.38 1bld s PRO 150 CO -0.14 -1.73 0.27 -1.64 -0.33 0.00 0.00 177.00 173.42 1bld s MET 151 N 5.66 4.24 0.08 5.54 -1.94 -1.00 -4.90 119.30 126.99 1bld s MET 151 Ca 0.92 0.05 -0.31 0.00 -1.71 0.00 0.00 55.69 54.64 1bld s MET 151 Cb -0.33 -3.43 -0.07 0.00 2.01 0.00 0.00 34.83 33.01 1bld s MET 151 CO 0.36 0.23 1.37 0.45 -0.01 0.00 0.00 175.02 177.41 1bld s SER 152 N 0.50 6.86 -0.69 3.03 0.15 -1.26 -2.40 113.70 119.89 1bld s SER 152 Ca 0.15 2.23 -0.06 0.00 0.70 0.00 0.00 55.95 58.98 1bld s SER 152 Cb -0.13 -2.58 -0.06 0.00 -1.71 0.00 0.00 66.02 61.55 1bld s SER 152 CO 0.03 -0.65 3.00 0.00 1.20 0.00 0.00 173.24 176.82 1bld n ALA 153 N 4.33 6.71 -0.02 5.45 0.00 -0.80 -4.48 120.51 131.69 1bld n ALA 153 Ca 0.12 -2.96 -0.02 0.00 0.00 0.00 0.00 53.44 50.57 1bld n ALA 153 Cb 0.43 -2.54 -0.01 0.00 0.00 0.00 0.00 19.45 17.33 1bld n ALA 153 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1bld n LYS 154 N 2.03 0.16 0.00 0.00 5.02 -1.26 -4.77 118.16 119.33 1bld n LYS 154 Ca 0.55 0.26 0.15 0.00 -2.02 0.00 0.00 58.31 57.25 1bld n LYS 154 Cb 0.55 -0.98 0.71 0.00 -0.02 0.00 0.00 35.03 35.29 1bld n LYS 154 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31