#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 3.47 0.00 -5.12 0.00 -1.26 -4.73 121.76 114.12 1bld s ALA 2 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1bld s ALA 2 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.72 1bld s ALA 2 CO 0.00 -0.89 0.00 0.39 0.00 0.00 0.00 175.76 175.26 1bld n GLU 3 N -2.56 0.00 -3.47 0.00 1.02 -1.26 -4.78 120.64 109.60 1bld n GLU 3 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1bld n GLU 3 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 1bld n GLU 3 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bld n GLY 4 N 0.00 -0.56 5.58 0.62 0.00 -1.26 -4.89 105.19 104.69 1bld n GLY 4 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1bld n GLY 4 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1bld n GLU 5 N 0.00 0.00 -2.49 1.61 0.28 -1.26 -4.20 120.64 114.58 1bld n GLU 5 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 1bld n GLU 5 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 1bld n GLU 5 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 1bld s ILE 6 N 0.00 4.23 -0.64 3.84 1.10 -1.26 -4.92 121.20 123.55 1bld s ILE 6 Ca 0.00 1.60 -0.04 0.00 -0.51 0.00 0.00 60.65 61.70 1bld s ILE 6 Cb 0.00 -4.02 0.10 0.00 0.15 0.00 0.00 42.46 38.69 1bld s ILE 6 CO 0.00 0.12 2.62 0.35 -2.11 0.00 0.00 174.94 175.93 1bld n THR 7 N 3.92 3.71 -3.08 4.00 -2.24 -1.26 -4.55 114.28 114.78 1bld n THR 7 Ca 0.08 -3.40 -0.19 0.00 -2.27 0.00 0.00 64.05 58.28 1bld n THR 7 Cb 0.47 -1.63 -0.03 0.00 -2.10 0.00 0.00 70.33 67.04 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 0.84 -0.44 -0.06 4.28 -1.04 -1.26 -4.98 114.28 111.62 1bld n THR 8 Ca 0.51 -3.50 -0.09 0.00 -2.04 0.00 0.00 64.05 58.93 1bld n THR 8 Cb 0.47 -0.83 -0.02 0.00 -1.82 0.00 0.00 70.33 68.13 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 3.77 0.21 -8.93 -4.42 3.38 -1.99 -3.39 115.31 103.93 1bld h LEU 9 Ca 0.02 0.01 -0.58 0.00 0.09 0.00 0.00 57.88 57.43 1bld h LEU 9 Cb 0.94 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1bld h LEU 9 CO 0.42 0.16 1.29 -2.16 0.09 0.00 0.00 178.44 178.24 1bld s PRO 10 N -6.17 3.40 -0.16 1.13 0.05 -1.26 -4.92 135.00 127.07 1bld s PRO 10 Ca -0.13 1.60 -0.31 0.00 0.05 0.00 0.00 61.00 62.21 1bld s PRO 10 Cb 0.10 -4.20 0.14 0.00 0.05 0.00 0.00 34.50 30.58 1bld s PRO 10 CO 0.70 -1.78 1.08 0.00 0.05 0.00 0.00 177.00 177.05 1bld s ALA 11 N 6.78 -1.97 -0.40 8.56 0.00 -1.26 -5.11 121.76 128.36 1bld s ALA 11 Ca 0.82 1.54 0.02 0.00 0.00 0.00 0.00 51.96 54.35 1bld s ALA 11 Cb -0.25 -0.53 0.27 0.00 0.00 0.00 0.00 23.12 22.61 1bld s ALA 11 CO 0.34 -0.42 1.12 -0.11 0.00 0.00 0.00 175.76 176.69 1bld n LEU 12 N 0.36 -1.95 -4.35 0.00 7.94 -1.26 -4.93 117.00 112.80 1bld n LEU 12 Ca -0.06 -2.50 -0.31 0.00 -1.11 0.00 0.00 56.01 52.03 1bld n LEU 12 Cb 0.59 0.74 0.28 0.00 0.53 0.00 0.00 43.42 45.56 1bld n LEU 12 CO 0.12 1.77 0.45 -2.16 -1.11 0.00 0.00 177.39 176.46 1bld s PRO 13 N 0.32 -2.78 -0.39 1.96 0.05 -1.26 -4.49 135.00 128.41 1bld s PRO 13 Ca 0.27 0.03 -0.23 0.00 0.05 0.00 0.00 61.00 61.11 1bld s PRO 13 Cb 0.23 -1.40 0.03 0.00 0.05 0.00 0.00 34.50 33.41 1bld s PRO 13 CO -0.15 -4.76 0.52 0.39 0.05 0.00 0.00 177.00 173.06 1bld n GLU 14 N -5.53 -2.10 -0.07 4.56 4.71 -1.26 -4.92 120.64 116.03 1bld n GLU 14 Ca 0.14 1.77 -0.10 0.00 -0.01 0.00 0.00 57.16 58.96 1bld n GLU 14 Cb 0.60 -3.69 -0.15 0.00 -1.01 0.00 0.00 31.44 27.19 1bld n GLU 14 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1bld n ASP 15 N -0.02 0.40 -4.66 1.62 8.00 -1.26 -4.92 116.55 115.71 1bld n ASP 15 Ca 0.01 0.18 -0.46 0.00 0.71 0.00 0.00 54.79 55.23 1bld n ASP 15 Cb 0.52 0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 42.11 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 1.67 0.83 0.09 0.44 0.00 -1.26 -4.59 105.19 102.38 1bld n GLY 16 Ca -0.26 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 2.61 -0.09 2.51 -0.02 0.00 -1.26 -5.06 105.19 103.88 1bld n GLY 17 Ca 0.14 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.07 -1.35 0.00 1.61 2.88 -1.26 -5.06 113.62 110.37 1bld n SER 18 Ca 0.00 -3.20 0.00 0.00 -1.33 0.00 0.00 58.87 54.34 1bld n SER 18 Cb 0.00 0.82 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 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 1.04 1.36 0.00 0.46 0.00 -1.26 -5.12 105.19 101.67 1bld n GLY 19 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.00 0.00 -2.66 4.61 0.00 -1.26 -4.96 120.51 113.24 1bld n ALA 20 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1bld n ALA 20 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.41 -0.80 0.00 1.16 -1.26 -4.90 117.46 111.24 1bld n PHE 21 Ca 0.00 -0.66 -0.29 0.00 -1.87 0.00 0.00 57.45 54.64 1bld n PHE 21 Cb 0.00 1.08 0.21 0.00 -1.61 0.00 0.00 39.48 39.16 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 0.08 -0.18 -0.67 3.97 0.05 -1.26 -4.79 135.00 132.20 1bld s PRO 22 Ca 0.26 0.80 -0.25 0.00 0.05 0.00 0.00 61.00 61.85 1bld s PRO 22 Cb 0.21 -1.64 -0.12 0.00 0.05 0.00 0.00 34.50 32.99 1bld s PRO 22 CO -0.08 -3.22 2.42 -2.30 0.05 0.00 0.00 177.00 173.87 1bld n PRO 23 N -4.56 0.72 0.00 0.56 -0.01 -1.26 -4.79 135.00 125.66 1bld n PRO 23 Ca 0.05 -0.35 0.00 0.00 -0.01 0.00 0.00 63.50 63.18 1bld n PRO 23 Cb 0.55 -3.29 0.00 0.00 -0.01 0.00 0.00 33.50 30.75 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 6.34 0.03 2.68 -1.23 0.00 -1.26 -5.00 105.19 106.75 1bld n GLY 24 Ca 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.38 1bld n GLY 24 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bld n HIS 25 N -0.61 -2.16 0.63 1.61 1.44 -1.26 -4.94 115.22 109.94 1bld n HIS 25 Ca 0.00 -2.16 0.02 0.00 -2.01 0.00 0.00 57.72 53.57 1bld n HIS 25 Cb 0.00 1.35 0.12 0.00 0.12 0.00 0.00 29.99 31.58 1bld n HIS 25 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1bld n PHE 26 N -0.21 0.00 -0.49 -1.40 3.01 -1.26 -3.64 117.46 113.48 1bld n PHE 26 Ca 0.02 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.48 1bld n PHE 26 Cb 0.79 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.26 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 -0.70 0.98 -3.79 -1.08 2.85 -1.26 -4.21 118.16 110.94 1bld n LYS 27 Ca 0.03 -0.01 -0.12 0.00 -1.05 0.00 0.00 58.31 57.16 1bld n LYS 27 Cb 0.01 -1.03 -0.09 0.00 -0.65 0.00 0.00 35.03 33.28 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 2.00 -0.10 1.04 -5.58 1.01 -1.24 -5.07 116.67 108.73 1bld s ASP 28 Ca 0.01 -0.10 -0.12 0.00 0.71 0.00 0.00 52.55 53.06 1bld s ASP 28 Cb 0.00 0.29 0.20 0.00 1.01 0.00 0.00 42.92 44.43 1bld s ASP 28 CO 0.00 -0.48 1.03 -0.81 0.21 0.00 0.00 175.17 175.12 1bld n PRO 29 N 1.08 -1.35 -3.71 8.23 -0.04 -1.26 -4.11 135.00 133.83 1bld n PRO 29 Ca -0.21 -0.34 -0.11 0.00 -0.04 0.00 0.00 63.50 62.79 1bld n PRO 29 Cb 0.57 -2.25 -0.12 0.00 -0.04 0.00 0.00 33.50 31.66 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 -4.46 0.30 -0.31 0.54 1.02 -0.93 -3.26 119.74 112.64 1bld s LYS 30 Ca 0.67 0.67 -0.23 0.00 0.02 0.00 0.00 55.97 57.10 1bld s LYS 30 Cb -0.24 -0.07 -0.00 0.00 -0.52 0.00 0.00 37.83 37.00 1bld s LYS 30 CO 0.62 -0.16 0.76 1.03 -0.92 0.00 0.00 175.35 176.67 1bld s ARG 31 N 1.35 3.95 -0.70 1.68 0.52 -0.65 -4.03 118.95 121.06 1bld s ARG 31 Ca -0.09 0.53 -0.24 0.00 -0.52 0.00 0.00 55.73 55.40 1bld s ARG 31 Cb -0.09 -3.73 0.06 0.00 0.52 0.00 0.00 34.95 31.70 1bld s ARG 31 CO -0.11 -0.66 1.10 -0.51 0.02 0.00 0.00 175.30 175.14 1bld s LEU 32 N 2.89 3.90 -0.25 2.53 1.43 -1.26 -2.06 118.68 125.86 1bld s LEU 32 Ca 0.31 -0.80 -0.16 0.00 -1.03 0.00 0.00 54.13 52.45 1bld s LEU 32 Cb -0.14 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 1bld s LEU 32 CO 0.12 -1.59 0.40 -0.47 0.23 0.00 0.00 176.35 175.04 1bld s TYR 33 N 4.71 3.28 -0.38 0.29 5.04 -1.24 -2.22 117.35 126.84 1bld s TYR 33 Ca 0.28 0.50 -0.20 0.00 -2.44 0.00 0.00 57.07 55.20 1bld s TYR 33 Cb -0.13 -2.58 0.01 0.00 0.35 0.00 0.00 41.96 39.61 1bld s TYR 33 CO 0.12 -0.18 0.63 0.00 -1.34 0.00 0.00 175.55 174.78 1bld h LYS 35 N 8.59 0.00 -6.22 0.00 3.64 -1.87 -2.33 116.57 118.38 1bld h LYS 35 Ca -0.26 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.54 1bld h LYS 35 Cb 1.11 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.83 1bld h LYS 35 CO 0.85 0.00 0.81 -0.80 -2.27 0.00 0.00 179.45 178.04 1bld s ASN 36 N -5.26 6.36 0.00 4.20 0.02 -1.26 -3.44 114.94 115.56 1bld s ASN 36 Ca -0.04 -0.19 0.00 0.00 -1.02 0.00 0.00 52.86 51.62 1bld s ASN 36 Cb 0.12 -2.50 0.00 0.00 0.02 0.00 0.00 41.25 38.89 1bld s ASN 36 CO 0.44 -1.42 0.00 0.61 0.02 0.00 0.00 177.10 176.75 1bld n GLY 37 N 5.13 0.68 3.11 0.66 0.00 -1.26 -4.35 105.19 109.16 1bld n GLY 37 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.31 -1.16 2.93 -0.02 0.00 -0.92 -5.00 105.19 98.71 1bld n GLY 38 Ca 0.00 0.50 -0.13 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.28 1.61 0.08 -0.96 -4.53 117.98 112.32 1bld s PHE 39 Ca 0.11 0.46 -0.16 0.00 0.12 0.00 0.00 56.93 57.46 1bld s PHE 39 Cb -0.02 -0.07 -0.03 0.00 -0.57 0.00 0.00 43.02 42.34 1bld s PHE 39 CO 0.46 -0.15 0.44 -0.06 -0.10 0.00 0.00 175.22 175.81 1bld s PHE 40 N 1.03 3.24 0.29 0.36 0.40 -0.37 -0.87 117.98 122.06 1bld s PHE 40 Ca -0.08 0.44 -0.27 0.00 -0.60 0.00 0.00 56.93 56.41 1bld s PHE 40 Cb -0.10 -2.68 -0.14 0.00 0.51 0.00 0.00 43.02 40.61 1bld s PHE 40 CO -0.05 -0.30 0.87 -0.11 0.70 0.00 0.00 175.22 176.32 1bld n LEU 41 N 5.46 1.06 -3.59 -0.37 7.94 -0.94 -1.59 117.00 124.97 1bld n LEU 41 Ca -0.06 1.13 -0.15 0.00 -1.11 0.00 0.00 56.01 55.82 1bld n LEU 41 Cb 0.50 -1.21 -0.13 0.00 0.53 0.00 0.00 43.42 43.11 1bld n LEU 41 CO 0.39 -1.87 -0.17 -0.60 -1.11 0.00 0.00 177.39 174.04 1bld s ARG 42 N -1.48 0.16 -0.54 1.96 3.52 0.19 -4.67 118.95 118.09 1bld s ARG 42 Ca 0.60 0.52 -0.20 0.00 -0.13 0.00 0.00 55.73 56.52 1bld s ARG 42 Cb -0.73 -0.51 0.07 0.00 -1.56 0.00 0.00 34.95 32.22 1bld s ARG 42 CO 0.59 -0.44 0.70 0.42 -0.81 0.00 0.00 175.30 175.76 1bld s ILE 43 N 2.37 4.77 0.61 4.11 1.01 -1.26 -2.09 121.20 130.72 1bld s ILE 43 Ca 0.04 -0.49 -0.18 0.00 0.00 0.00 0.00 60.65 60.02 1bld s ILE 43 Cb -0.13 -4.39 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 1bld s ILE 43 CO -0.10 -0.94 1.21 -1.00 0.00 0.00 0.00 174.94 174.11 1bld s HIS 44 N 2.88 2.35 0.57 3.97 3.76 -0.80 -4.75 115.29 123.28 1bld s HIS 44 Ca 0.17 1.52 0.27 0.00 -0.15 0.00 0.00 55.06 56.86 1bld s HIS 44 Cb -0.19 -3.48 1.61 0.00 1.11 0.00 0.00 32.58 31.62 1bld s HIS 44 CO 0.12 -2.27 2.13 -1.00 -0.85 0.00 0.00 174.74 172.86 1bld h PRO 45 N 0.74 0.00 0.00 8.40 0.13 -1.93 0.25 132.00 139.59 1bld h PRO 45 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1bld h PRO 45 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1bld h PRO 45 CO 0.54 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.91 1bld n ASP 46 N -3.98 0.00 0.00 1.44 5.68 -1.26 -4.83 116.55 113.60 1bld n ASP 46 Ca 0.01 -1.02 0.00 0.00 -0.50 0.00 0.00 54.79 53.28 1bld n ASP 46 Cb 0.27 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 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 0.46 2.69 3.57 6.12 0.00 0.89 -4.94 105.19 113.98 1bld n GLY 47 Ca 0.13 -0.03 -0.53 0.00 0.00 0.00 0.00 46.02 45.59 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 1.27 -3.54 1.61 5.12 -1.26 -3.54 116.66 116.32 1bld n ARG 48 Ca 0.00 0.41 -0.37 0.00 -1.93 0.00 0.00 57.85 55.97 1bld n ARG 48 Cb 0.00 -2.36 -0.06 0.00 -1.16 0.00 0.00 32.46 28.89 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 5.53 5.06 -0.19 1.55 1.01 -1.26 -1.90 120.40 130.21 1bld s VAL 49 Ca 1.03 0.67 -0.32 0.00 0.00 0.00 0.00 61.98 63.36 1bld s VAL 49 Cb -0.91 -3.68 0.14 0.00 0.00 0.00 0.00 36.38 31.94 1bld s VAL 49 CO 0.55 0.45 1.15 1.51 0.00 0.00 0.00 175.10 178.76 1bld s ASP 50 N -1.38 -0.20 0.38 3.32 1.47 -0.89 -4.61 116.67 114.76 1bld s ASP 50 Ca 0.28 0.13 -0.01 0.00 1.18 0.00 0.00 52.55 54.13 1bld s ASP 50 Cb -0.15 0.19 -0.03 0.00 -0.34 0.00 0.00 42.92 42.58 1bld s ASP 50 CO 0.15 -0.26 0.61 -0.83 0.68 0.00 0.00 175.17 175.53 1bld s GLY 51 N -1.61 1.38 -0.10 2.12 0.00 -1.26 -0.64 107.32 107.22 1bld s GLY 51 Ca 0.06 -0.81 -0.10 0.00 0.00 0.00 0.00 44.72 43.86 1bld s GLY 51 CO -0.04 -0.72 0.29 -1.34 0.00 0.00 0.00 173.10 171.29 1bld s VAL 52 N -2.43 0.01 -2.18 1.40 -7.23 -0.62 -4.78 120.40 104.57 1bld s VAL 52 Ca 0.42 -0.08 0.25 0.00 -1.81 0.00 0.00 61.98 60.76 1bld s VAL 52 Cb -0.10 -0.43 0.62 0.00 0.56 0.00 0.00 36.38 37.03 1bld s VAL 52 CO 0.38 -0.04 1.82 0.54 -0.31 0.00 0.00 175.10 177.49 1bld n ARG 53 N 2.70 1.32 -2.79 4.82 1.74 -1.26 -1.24 116.66 121.95 1bld n ARG 53 Ca -0.14 -0.48 -0.43 0.00 -0.77 0.00 0.00 57.85 56.04 1bld n ARG 53 Cb 0.58 -1.41 -0.04 0.00 -1.02 0.00 0.00 32.46 30.57 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 -1.95 3.76 0.00 5.56 2.02 -1.26 -4.87 118.70 121.96 1bld s GLU 54 Ca 0.37 0.48 0.28 0.00 0.02 0.00 0.00 54.97 56.12 1bld s GLU 54 Cb 0.18 -3.84 1.11 0.00 0.10 0.00 0.00 34.13 31.68 1bld s GLU 54 CO 0.30 -1.05 1.79 1.63 0.02 0.00 0.00 175.26 177.95 1bld n LYS 55 N 6.95 0.56 -0.38 1.61 5.02 -1.26 -3.61 118.16 127.05 1bld n LYS 55 Ca 0.07 -0.21 -0.05 0.00 -2.02 0.00 0.00 58.31 56.10 1bld n LYS 55 Cb 0.48 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 34.08 1bld n LYS 55 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1bld n SER 56 N -1.04 3.07 -4.04 4.39 7.64 -1.26 -4.64 113.62 117.74 1bld n SER 56 Ca 0.13 -2.48 -0.34 0.00 1.01 0.00 0.00 58.87 57.19 1bld n SER 56 Cb 0.30 -0.60 -0.11 0.00 -1.01 0.00 0.00 64.21 62.78 1bld n SER 56 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1bld s ASP 57 N 0.09 4.91 0.00 6.43 1.01 -1.24 -4.92 116.67 122.95 1bld s ASP 57 Ca 0.19 -2.90 0.00 0.00 0.71 0.00 0.00 52.55 50.54 1bld s ASP 57 Cb 0.16 -1.78 0.00 0.00 1.01 0.00 0.00 42.92 42.31 1bld s ASP 57 CO 0.04 -0.32 0.40 -2.65 0.21 0.00 0.00 175.17 172.85 1bld n PRO 58 N 3.36 0.00 0.02 8.23 -0.02 -1.26 -1.37 135.00 143.95 1bld n PRO 58 Ca 0.07 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.69 1bld n PRO 58 Cb 0.36 -1.40 0.58 0.00 -0.02 0.00 0.00 33.50 33.02 1bld n PRO 58 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1bld n HIS 59 N -0.89 0.14 1.76 6.00 8.25 -1.26 -2.93 115.22 126.29 1bld n HIS 59 Ca 0.00 0.04 0.15 0.00 -0.26 0.00 0.00 57.72 57.66 1bld n HIS 59 Cb 0.00 -0.57 0.87 0.00 1.12 0.00 0.00 29.99 31.41 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 -1.62 0.00 -2.35 1.59 -5.35 -0.47 -4.48 119.36 106.69 1bld n ILE 60 Ca 0.07 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.20 1bld n ILE 60 Cb 0.35 -0.51 -0.04 0.00 -1.74 0.00 0.00 39.64 37.71 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 -2.22 3.19 -0.00 6.28 1.02 -1.15 -4.66 119.74 122.20 1bld s LYS 61 Ca 0.40 -0.96 -0.19 0.00 0.02 0.00 0.00 55.97 55.24 1bld s LYS 61 Cb 0.21 -5.27 -0.05 0.00 -0.52 0.00 0.00 37.83 32.19 1bld s LYS 61 CO 0.40 -2.77 0.55 -0.51 -0.92 0.00 0.00 175.35 172.10 1bld s LEU 62 N 7.15 4.43 -0.53 3.17 1.43 -1.26 -2.72 118.68 130.35 1bld s LEU 62 Ca 0.57 1.11 -0.22 0.00 -1.03 0.00 0.00 54.13 54.56 1bld s LEU 62 Cb -0.02 -2.85 0.04 0.00 0.03 0.00 0.00 46.19 43.40 1bld s LEU 62 CO -0.03 0.15 0.83 -1.58 0.23 0.00 0.00 176.35 175.95 1bld s GLN 63 N -0.37 3.28 0.27 1.70 0.74 0.38 -2.19 119.66 123.46 1bld s GLN 63 Ca 0.29 -0.43 -0.06 0.00 0.05 0.00 0.00 55.36 55.21 1bld s GLN 63 Cb -0.18 -4.05 -0.06 0.00 1.10 0.00 0.00 33.01 29.82 1bld s GLN 63 CO 0.16 -1.36 0.55 -0.51 -0.55 0.00 0.00 175.29 173.58 1bld s LEU 64 N 3.48 4.08 -0.06 3.68 1.02 -1.26 -1.09 118.68 128.53 1bld s LEU 64 Ca 0.26 0.77 -0.04 0.00 0.02 0.00 0.00 54.13 55.13 1bld s LEU 64 Cb -0.14 -3.57 0.02 0.00 0.02 0.00 0.00 46.19 42.52 1bld s LEU 64 CO 0.17 -0.17 0.15 -1.58 0.02 0.00 0.00 176.35 174.95 1bld s GLN 65 N -3.37 0.14 0.49 1.70 2.00 0.31 -4.41 119.66 116.53 1bld s GLN 65 Ca 0.45 0.28 -0.18 0.00 -2.00 0.00 0.00 55.36 53.91 1bld s GLN 65 Cb -0.11 -0.02 -0.09 0.00 0.80 0.00 0.00 33.01 33.59 1bld s GLN 65 CO 0.28 -0.08 0.97 0.00 -0.50 0.00 0.00 175.29 175.96 1bld s ALA 66 N 0.53 3.06 -0.06 1.58 0.00 -1.26 0.23 121.76 125.85 1bld s ALA 66 Ca -0.04 0.24 -0.15 0.00 0.00 0.00 0.00 51.96 52.02 1bld s ALA 66 Cb -0.05 -3.12 0.03 0.00 0.00 0.00 0.00 23.12 19.98 1bld s ALA 66 CO -0.02 -0.12 0.34 -2.00 0.00 0.00 0.00 175.76 173.96 1bld s GLU 67 N -3.79 0.60 3.12 0.00 2.12 -0.53 -4.77 118.70 115.45 1bld s GLU 67 Ca 0.60 0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.99 1bld s GLU 67 Cb -0.10 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.57 1bld s GLU 67 CO 0.26 -0.14 0.00 0.39 -0.54 0.00 0.00 175.26 175.22 1bld n GLU 68 N 1.80 0.00 -3.06 4.30 -0.58 -1.26 -2.14 120.64 119.70 1bld n GLU 68 Ca -0.19 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.29 1bld n GLU 68 Cb 0.57 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.39 1bld n GLU 68 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1bld n ARG 69 N 5.47 2.84 0.00 3.49 3.00 -1.26 -4.67 116.66 125.53 1bld n ARG 69 Ca 0.00 -4.65 0.00 0.00 -0.01 0.00 0.00 57.85 53.19 1bld n ARG 69 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 32.46 30.29 1bld n ARG 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bld n GLY 70 N 0.05 0.40 3.92 -0.13 0.00 -1.24 -5.14 105.19 103.05 1bld n GLY 70 Ca 0.30 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 5.07 -0.10 1.61 1.01 -0.91 -3.47 120.40 123.61 1bld s VAL 71 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 1bld s VAL 71 Cb 0.00 -3.77 0.05 0.00 0.00 0.00 0.00 36.38 32.66 1bld s VAL 71 CO 0.00 -0.38 0.21 0.68 0.00 0.00 0.00 175.10 175.61 1bld s VAL 72 N -2.13 -0.25 -0.21 2.92 -7.23 -1.22 -1.46 120.40 110.82 1bld s VAL 72 Ca 0.42 0.27 -0.17 0.00 -1.81 0.00 0.00 61.98 60.69 1bld s VAL 72 Cb -0.10 -0.36 -0.04 0.00 0.56 0.00 0.00 36.38 36.44 1bld s VAL 72 CO 0.32 0.11 0.45 -0.44 -0.31 0.00 0.00 175.10 175.23 1bld s SER 73 N 2.01 6.47 0.03 4.85 0.01 0.14 -3.57 113.70 123.62 1bld s SER 73 Ca -0.01 0.56 -0.07 0.00 1.31 0.00 0.00 55.95 57.73 1bld s SER 73 Cb -0.12 -2.26 -0.05 0.00 0.21 0.00 0.00 66.02 63.81 1bld s SER 73 CO -0.07 -0.14 0.29 -0.63 0.41 0.00 0.00 173.24 173.09 1bld s ILE 74 N 1.58 5.27 0.02 1.44 1.01 -1.26 -0.53 121.20 128.73 1bld s ILE 74 Ca 0.21 0.18 -0.10 0.00 0.00 0.00 0.00 60.65 60.93 1bld s ILE 74 Cb -0.15 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.74 1bld s ILE 74 CO 0.09 0.33 0.20 -0.75 0.00 0.00 0.00 174.94 174.81 1bld s LYS 75 N -1.85 0.62 -0.11 2.79 2.20 -0.25 -4.04 119.74 119.11 1bld s LYS 75 Ca 0.29 -0.46 -0.16 0.00 -0.36 0.00 0.00 55.97 55.28 1bld s LYS 75 Cb -0.13 0.26 -0.05 0.00 -1.51 0.00 0.00 37.83 36.40 1bld s LYS 75 CO 0.17 -0.17 0.41 0.20 -0.36 0.00 0.00 175.35 175.60 1bld s GLY 76 N -1.69 2.36 -0.04 5.54 0.00 -0.55 0.14 107.32 113.08 1bld s GLY 76 Ca -0.10 -0.28 -0.09 0.00 0.00 0.00 0.00 44.72 44.25 1bld s GLY 76 CO -0.00 0.54 0.46 -2.08 0.00 0.00 0.00 173.10 172.02 1bld h VAL 77 N 4.50 0.00 -0.09 1.40 2.07 -1.84 0.13 116.25 122.42 1bld h VAL 77 Ca -0.43 -0.50 -0.24 0.00 0.82 0.00 0.00 66.70 66.35 1bld h VAL 77 Cb 1.18 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1bld h VAL 77 CO 0.73 0.00 -0.87 0.77 0.02 0.00 0.00 177.57 178.22 1bld h SER 78 N -0.83 0.92 0.73 0.57 4.64 -1.88 -3.11 113.55 114.60 1bld h SER 78 Ca -0.03 -0.67 -0.06 0.00 -0.47 0.00 0.00 61.79 60.55 1bld h SER 78 Cb 0.25 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1bld h SER 78 CO 0.06 1.46 -0.29 0.00 -0.87 0.00 0.00 176.83 177.18 1bld h ALA 79 N 0.48 1.09 -6.33 5.18 0.00 -1.86 -3.47 119.26 114.35 1bld h ALA 79 Ca -0.08 -0.27 -0.47 0.00 0.00 0.00 0.00 54.91 54.09 1bld h ALA 79 Cb 1.51 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 1bld h ALA 79 CO 0.18 0.37 -0.81 0.09 0.00 0.00 0.00 179.25 179.07 1bld n ASN 80 N -3.57 -2.77 -3.89 0.00 3.02 0.03 -4.94 115.26 103.14 1bld n ASN 80 Ca -0.01 -0.86 -0.11 0.00 -0.03 0.00 0.00 54.58 53.57 1bld n ASN 80 Cb 0.43 -3.64 -0.12 0.00 -0.61 0.00 0.00 39.78 35.84 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 -6.47 0.19 0.00 3.52 0.52 -1.24 -4.69 118.95 110.79 1bld s ARG 81 Ca 0.37 -0.18 -0.19 0.00 -0.52 0.00 0.00 55.73 55.20 1bld s ARG 81 Cb -0.19 0.08 -0.06 0.00 0.52 0.00 0.00 34.95 35.30 1bld s ARG 81 CO 0.85 -0.04 0.55 0.71 0.02 0.00 0.00 175.30 177.39 1bld s TYR 82 N -0.59 3.70 0.59 -0.53 1.51 0.16 -1.48 117.35 120.71 1bld s TYR 82 Ca -0.07 1.16 -0.19 0.00 -1.01 0.00 0.00 57.07 56.96 1bld s TYR 82 Cb -0.04 -2.53 -0.03 0.00 -0.11 0.00 0.00 41.96 39.25 1bld s TYR 82 CO -0.00 0.44 1.24 -1.17 -1.11 0.00 0.00 175.55 174.94 1bld s LEU 83 N -0.47 3.69 -0.15 -1.29 2.96 -1.26 -1.45 118.68 120.71 1bld s LEU 83 Ca 0.29 2.47 -0.09 0.00 -0.22 0.00 0.00 54.13 56.58 1bld s LEU 83 Cb -0.18 -4.55 0.05 0.00 0.50 0.00 0.00 46.19 42.01 1bld s LEU 83 CO 0.16 -1.63 0.36 0.00 -1.32 0.00 0.00 176.35 173.93 1bld s ALA 84 N -1.52 -0.91 -0.15 5.97 0.00 0.97 -4.16 121.76 121.95 1bld s ALA 84 Ca 0.77 1.33 -0.12 0.00 0.00 0.00 0.00 51.96 53.95 1bld s ALA 84 Cb -0.33 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 1bld s ALA 84 CO 0.36 -0.24 0.23 1.41 0.00 0.00 0.00 175.76 177.52 1bld s MET 85 N 1.20 4.07 0.70 0.00 1.75 -1.15 -1.66 119.30 124.20 1bld s MET 85 Ca -0.08 -0.01 -0.01 0.00 -1.25 0.00 0.00 55.69 54.34 1bld s MET 85 Cb -0.08 -3.37 0.11 0.00 2.84 0.00 0.00 34.83 34.33 1bld s MET 85 CO -0.10 0.39 0.97 0.15 -0.65 0.00 0.00 175.02 175.77 1bld s LYS 86 N 0.05 1.83 0.29 4.11 -0.14 -0.86 -4.80 119.74 120.21 1bld s LYS 86 Ca 0.14 -1.00 0.19 0.00 -1.36 0.00 0.00 55.97 53.95 1bld s LYS 86 Cb -0.13 -2.34 0.11 0.00 -1.68 0.00 0.00 37.83 33.80 1bld s LYS 86 CO 0.03 -1.33 1.33 1.05 -0.76 0.00 0.00 175.35 175.67 1bld h GLU 87 N -0.46 0.00 0.00 1.68 -0.00 -1.99 -3.17 114.58 110.65 1bld h GLU 87 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.98 1bld h GLU 87 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.02 1bld h GLU 87 CO 0.43 0.22 0.00 -0.40 -0.00 0.00 0.00 179.01 179.26 1bld n ASP 88 N -3.04 0.00 0.00 3.06 5.68 -1.26 -4.84 116.55 116.16 1bld n ASP 88 Ca 0.01 -0.21 0.00 0.00 -0.50 0.00 0.00 54.79 54.08 1bld n ASP 88 Cb 0.65 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 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 0.89 0.74 3.65 6.12 0.00 -1.20 -4.88 105.19 110.51 1bld n GLY 89 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.64 4.18 -0.11 1.61 0.52 -1.26 -3.86 118.95 119.39 1bld s ARG 90 Ca 0.00 0.64 -0.16 0.00 -0.52 0.00 0.00 55.73 55.69 1bld s ARG 90 Cb 0.00 -3.60 -0.05 0.00 0.52 0.00 0.00 34.95 31.82 1bld s ARG 90 CO 0.00 -0.32 0.41 -0.51 0.02 0.00 0.00 175.30 174.90 1bld s LEU 91 N 2.17 4.31 0.33 2.53 1.02 -1.26 -2.03 118.68 125.76 1bld s LEU 91 Ca 0.29 0.76 -0.01 0.00 0.02 0.00 0.00 54.13 55.18 1bld s LEU 91 Cb -0.16 -2.58 -0.00 0.00 0.02 0.00 0.00 46.19 43.47 1bld s LEU 91 CO 0.10 0.10 0.44 -1.48 0.02 0.00 0.00 176.35 175.52 1bld s LEU 92 N 0.22 1.09 0.32 1.79 0.05 -0.67 -4.31 118.68 117.19 1bld s LEU 92 Ca 0.23 -1.50 0.10 0.00 0.05 0.00 0.00 54.13 53.01 1bld s LEU 92 Cb -0.15 1.32 -0.06 0.00 -2.05 0.00 0.00 46.19 45.26 1bld s LEU 92 CO 0.09 -1.25 -0.10 0.00 -0.55 0.00 0.00 176.35 174.54 1bld s ALA 93 N -3.17 2.95 0.13 1.48 0.00 -1.23 -0.02 121.76 121.89 1bld s ALA 93 Ca 0.32 -1.99 -0.12 0.00 0.00 0.00 0.00 51.96 50.17 1bld s ALA 93 Cb 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.94 1bld s ALA 93 CO 0.21 0.15 0.32 0.45 0.00 0.00 0.00 175.76 176.88 1bld s SER 94 N -3.60 -0.05 0.09 0.00 0.15 -0.53 -4.87 113.70 104.89 1bld s SER 94 Ca 0.32 -0.57 -0.03 0.00 0.70 0.00 0.00 55.95 56.37 1bld s SER 94 Cb -0.01 0.43 -0.24 0.00 -1.71 0.00 0.00 66.02 64.49 1bld s SER 94 CO 0.17 -0.84 1.18 0.11 1.20 0.00 0.00 173.24 175.06 1bld h LYS 95 N 2.52 0.26 -6.73 5.44 1.57 -1.87 0.45 116.57 118.21 1bld h LYS 95 Ca -0.33 -0.42 -0.46 0.00 -1.87 0.00 0.00 60.65 57.57 1bld h LYS 95 Cb 1.23 0.15 0.03 0.00 0.08 0.00 0.00 32.23 33.72 1bld h LYS 95 CO 0.49 1.18 -0.07 -1.12 -0.57 0.00 0.00 179.45 179.36 1bld s SER 96 N -7.10 5.81 0.46 0.86 0.01 -1.26 -4.64 113.70 107.85 1bld s SER 96 Ca -0.04 0.31 -0.03 0.00 1.31 0.00 0.00 55.95 57.51 1bld s SER 96 Cb 0.08 -1.53 -0.02 0.00 0.21 0.00 0.00 66.02 64.75 1bld s SER 96 CO 0.87 -0.73 0.73 -0.69 0.41 0.00 0.00 173.24 173.83 1bld s VAL 97 N -2.59 4.48 0.32 3.43 1.01 -1.26 -4.64 120.40 121.15 1bld s VAL 97 Ca 0.49 -0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.28 1bld s VAL 97 Cb -0.10 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 1bld s VAL 97 CO 0.38 -0.58 0.44 0.42 0.00 0.00 0.00 175.10 175.77 1bld s THR 98 N -2.65 0.00 0.12 3.92 -4.23 -1.26 -5.02 115.64 106.52 1bld s THR 98 Ca 0.47 -1.62 0.27 0.00 -1.18 0.00 0.00 61.69 59.63 1bld s THR 98 Cb -0.10 -2.58 0.29 0.00 1.34 0.00 0.00 72.50 71.45 1bld s THR 98 CO 0.41 0.00 1.89 -2.24 -0.54 0.00 0.00 174.62 174.14 1bld h ASP 99 N 2.16 0.00 -0.42 3.99 3.04 -1.99 -2.31 116.42 120.88 1bld h ASP 99 Ca -0.28 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.51 1bld h ASP 99 Cb 1.24 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.53 1bld h ASP 99 CO 0.39 0.14 0.00 -0.62 -2.04 0.00 0.00 179.24 177.11 1bld n GLU 100 N -3.29 2.49 0.00 4.15 1.02 -1.26 -3.81 120.64 119.94 1bld n GLU 100 Ca 0.00 -1.73 0.11 0.00 -0.02 0.00 0.00 57.16 55.52 1bld n GLU 100 Cb 0.38 -1.55 0.11 0.00 -0.02 0.00 0.00 31.44 30.36 1bld n GLU 100 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bld s PHE 102 N -3.00 3.48 -0.09 0.00 0.40 -1.25 -4.23 117.98 113.30 1bld s PHE 102 Ca 0.10 0.42 -0.07 0.00 -0.60 0.00 0.00 56.93 56.78 1bld s PHE 102 Cb 0.17 -1.91 0.03 0.00 0.51 0.00 0.00 43.02 41.82 1bld s PHE 102 CO 0.76 0.38 0.23 -0.06 0.70 0.00 0.00 175.22 177.24 1bld s PHE 103 N -1.82 -0.27 -0.10 0.36 0.40 -1.23 -3.71 117.98 111.60 1bld s PHE 103 Ca 0.39 0.66 -0.30 0.00 -0.60 0.00 0.00 56.93 57.08 1bld s PHE 103 Cb -0.11 0.07 -0.02 0.00 0.51 0.00 0.00 43.02 43.47 1bld s PHE 103 CO 0.28 -0.15 1.14 -0.06 0.70 0.00 0.00 175.22 177.12 1bld s PHE 104 N 0.44 3.26 0.10 0.36 0.08 -0.18 -3.40 117.98 118.64 1bld s PHE 104 Ca -0.03 1.32 -0.10 0.00 0.12 0.00 0.00 56.93 58.24 1bld s PHE 104 Cb -0.04 -3.35 -0.06 0.00 -0.57 0.00 0.00 43.02 39.00 1bld s PHE 104 CO -0.02 -0.97 0.43 -2.00 -0.10 0.00 0.00 175.22 172.56 1bld s GLU 105 N 2.40 3.80 -0.17 0.44 2.12 -1.23 -1.10 118.70 124.96 1bld s GLU 105 Ca 0.52 0.23 -0.04 0.00 0.36 0.00 0.00 54.97 56.03 1bld s GLU 105 Cb -0.22 -2.97 0.08 0.00 0.26 0.00 0.00 34.13 31.28 1bld s GLU 105 CO 0.18 0.54 0.28 0.50 -0.54 0.00 0.00 175.26 176.22 1bld s ARG 106 N -1.96 0.20 0.05 4.30 3.52 -0.99 -4.97 118.95 119.09 1bld s ARG 106 Ca 0.34 0.62 -0.26 0.00 -0.13 0.00 0.00 55.73 56.30 1bld s ARG 106 Cb -0.14 -0.34 -0.05 0.00 -1.56 0.00 0.00 34.95 32.86 1bld s ARG 106 CO 0.18 -0.42 0.80 -1.17 -0.81 0.00 0.00 175.30 173.88 1bld s LEU 107 N 2.43 4.45 0.68 -0.88 0.20 -1.26 -1.40 118.68 122.89 1bld s LEU 107 Ca 0.04 1.49 0.01 0.00 0.69 0.00 0.00 54.13 56.36 1bld s LEU 107 Cb -0.13 -3.28 0.11 0.00 -0.43 0.00 0.00 46.19 42.45 1bld s LEU 107 CO -0.11 -0.01 0.94 -1.61 -0.29 0.00 0.00 176.35 175.27 1bld s GLU 108 N 0.01 1.88 0.00 1.98 0.41 -1.01 -4.97 118.70 117.00 1bld s GLU 108 Ca 0.40 -1.13 0.29 0.00 -0.41 0.00 0.00 54.97 54.12 1bld s GLU 108 Cb -0.21 -2.39 1.22 0.00 -1.78 0.00 0.00 34.13 30.97 1bld s GLU 108 CO 0.24 -1.27 1.85 -1.13 -0.49 0.00 0.00 175.26 174.46 1bld n SER 109 N -2.69 0.57 -1.77 -0.19 3.41 -1.26 -3.63 113.62 108.07 1bld n SER 109 Ca 0.14 -0.71 -0.13 0.00 -0.26 0.00 0.00 58.87 57.91 1bld n SER 109 Cb 0.61 -0.04 0.14 0.00 -0.26 0.00 0.00 64.21 64.65 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 -0.84 3.61 0.00 4.04 5.03 -1.26 -4.83 115.26 121.01 1bld n ASN 110 Ca 0.15 -3.01 0.00 0.00 0.87 0.00 0.00 54.58 52.59 1bld n ASN 110 Cb 0.28 -0.71 0.00 0.00 -1.02 0.00 0.00 39.78 38.33 1bld n ASN 110 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1bld n ASN 111 N -0.45 0.00 -2.52 6.41 3.02 -1.24 -4.91 115.26 115.57 1bld n ASN 111 Ca 0.37 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.86 1bld n ASN 111 Cb 1.23 -1.80 0.03 0.00 -0.61 0.00 0.00 39.78 38.63 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 -3.48 -4.03 3.10 4.01 -1.26 -4.93 117.16 108.57 1bld n TYR 112 Ca 0.00 -0.35 -0.10 0.00 -0.16 0.00 0.00 57.90 57.29 1bld n TYR 112 Cb 0.00 -0.18 -0.07 0.00 -0.31 0.00 0.00 39.34 38.78 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 -1.94 0.04 0.20 7.72 -0.87 -0.18 -2.41 114.94 117.50 1bld s ASN 113 Ca 0.15 -1.02 -0.04 0.00 -1.57 0.00 0.00 52.86 50.38 1bld s ASN 113 Cb -0.01 0.46 -0.03 0.00 -0.02 0.00 0.00 41.25 41.65 1bld s ASN 113 CO 0.10 -0.95 0.21 0.42 -2.57 0.00 0.00 177.10 174.32 1bld s THR 114 N -4.03 0.01 -0.20 1.60 -4.23 -0.49 -0.31 115.64 107.99 1bld s THR 114 Ca 0.24 -1.84 -0.04 0.00 -1.18 0.00 0.00 61.69 58.87 1bld s THR 114 Cb 0.03 -2.38 0.09 0.00 1.34 0.00 0.00 72.50 71.59 1bld s THR 114 CO 0.05 -0.04 0.22 -0.31 -0.54 0.00 0.00 174.62 174.00 1bld s TYR 115 N -4.11 -0.29 0.02 3.99 2.02 -1.26 -2.36 117.35 115.36 1bld s TYR 115 Ca 0.33 0.27 -0.15 0.00 -0.37 0.00 0.00 57.07 57.15 1bld s TYR 115 Cb 0.05 -0.34 -0.06 0.00 -0.40 0.00 0.00 41.96 41.21 1bld s TYR 115 CO 0.10 -0.59 0.44 0.50 -1.57 0.00 0.00 175.55 174.43 1bld s ARG 116 N 2.33 3.96 0.57 -0.62 3.52 -0.25 -2.39 118.95 126.07 1bld s ARG 116 Ca 0.07 0.46 -0.21 0.00 -0.13 0.00 0.00 55.73 55.93 1bld s ARG 116 Cb -0.15 -3.21 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 1bld s ARG 116 CO -0.12 0.68 1.31 0.45 -0.81 0.00 0.00 175.30 176.81 1bld s SER 117 N -1.11 5.15 -0.07 -2.12 0.15 -1.07 -1.01 113.70 113.62 1bld s SER 117 Ca 0.25 2.66 -0.12 0.00 0.70 0.00 0.00 55.95 59.44 1bld s SER 117 Cb -0.17 -2.63 -0.08 0.00 -1.71 0.00 0.00 66.02 61.43 1bld s SER 117 CO 0.15 -1.64 0.46 -0.09 1.20 0.00 0.00 173.24 173.31 1bld h ARG 118 N 1.20 -0.22 -0.01 5.44 2.43 -1.91 -3.07 114.38 118.25 1bld h ARG 118 Ca -0.51 0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 58.47 1bld h ARG 118 Cb 1.31 0.05 0.02 0.00 -0.42 0.00 0.00 29.97 30.92 1bld h ARG 118 CO 0.56 0.02 -0.79 -0.22 -1.51 0.00 0.00 179.97 178.03 1bld h LYS 119 N -1.02 0.56 -2.14 0.20 3.64 -1.87 -3.28 116.57 112.66 1bld h LYS 119 Ca -0.02 -0.58 -0.62 0.00 -1.27 0.00 0.00 60.65 58.16 1bld h LYS 119 Cb 0.34 0.16 -0.19 0.00 -0.41 0.00 0.00 32.23 32.13 1bld h LYS 119 CO 0.04 1.20 0.95 0.66 -2.27 0.00 0.00 179.45 180.03 1bld n TYR 120 N -4.06 2.12 0.00 1.91 4.01 -1.26 -4.68 117.16 115.20 1bld n TYR 120 Ca -0.10 -2.22 0.00 0.00 -0.16 0.00 0.00 57.90 55.41 1bld n TYR 120 Cb 0.76 -1.42 0.00 0.00 -0.31 0.00 0.00 39.34 38.37 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 0.72 0.83 0.80 -0.72 -2.24 -1.16 0.02 114.28 112.53 1bld n THR 121 Ca 0.52 0.30 0.06 0.00 -2.27 0.00 0.00 64.05 62.66 1bld n THR 121 Cb 0.41 -1.30 0.16 0.00 -2.10 0.00 0.00 70.33 67.51 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 -1.14 2.02 -3.65 3.42 7.64 -1.26 -4.85 113.62 115.79 1bld n SER 122 Ca 0.00 -2.01 -0.15 0.00 1.01 0.00 0.00 58.87 57.72 1bld n SER 122 Cb 0.09 -0.26 -0.08 0.00 -1.01 0.00 0.00 64.21 62.96 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 -1.51 -0.50 0.34 1.43 0.51 0.10 -4.96 118.94 114.35 1bld s TRP 123 Ca 0.25 1.02 0.07 0.00 -2.12 0.00 0.00 56.10 55.32 1bld s TRP 123 Cb 0.13 0.24 -0.02 0.00 -0.81 0.00 0.00 33.47 33.01 1bld s TRP 123 CO 0.17 -0.42 0.34 0.71 -0.51 0.00 0.00 176.95 177.24 1bld s TYR 124 N -0.65 2.95 -0.28 -1.98 1.51 -1.26 -2.59 117.35 115.05 1bld s TYR 124 Ca -0.07 -0.29 -0.20 0.00 -1.01 0.00 0.00 57.07 55.50 1bld s TYR 124 Cb -0.03 -1.86 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 1bld s TYR 124 CO 0.05 0.12 0.63 0.08 -1.11 0.00 0.00 175.55 175.32 1bld s VAL 125 N -2.28 4.96 -0.12 0.71 1.01 -1.00 -4.80 120.40 118.88 1bld s VAL 125 Ca 0.42 1.00 -0.17 0.00 0.00 0.00 0.00 61.98 63.23 1bld s VAL 125 Cb -0.07 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.39 1bld s VAL 125 CO 0.28 -0.05 0.44 0.00 0.00 0.00 0.00 175.10 175.76 1bld s ALA 126 N 2.55 -1.10 0.59 5.51 0.00 -1.26 -4.74 121.76 123.31 1bld s ALA 126 Ca 0.26 1.03 0.05 0.00 0.00 0.00 0.00 51.96 53.30 1bld s ALA 126 Cb -0.15 -0.45 0.08 0.00 0.00 0.00 0.00 23.12 22.59 1bld s ALA 126 CO 0.10 -0.24 0.81 -0.51 0.00 0.00 0.00 175.76 175.92 1bld s LEU 127 N -0.31 3.19 0.00 0.00 1.43 -1.26 -3.28 118.68 118.44 1bld s LEU 127 Ca -0.05 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 1bld s LEU 127 Cb -0.03 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 44.06 1bld s LEU 127 CO 0.03 -1.37 0.00 0.29 0.23 0.00 0.00 176.35 175.52 1bld n LYS 128 N -2.38 3.47 0.00 1.70 5.02 -0.50 -4.58 118.16 120.89 1bld n LYS 128 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1bld n LYS 128 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 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 3.04 -1.07 1.97 1.85 -1.26 -4.75 116.66 116.44 1bld n ARG 129 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.61 1bld n ARG 129 Cb 0.00 -0.62 0.08 0.00 -1.05 0.00 0.00 32.46 30.86 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 -0.75 3.09 -3.47 8.89 5.66 -1.26 -4.83 114.28 121.60 1bld n THR 130 Ca 0.00 -2.11 -0.18 0.00 -3.05 0.00 0.00 64.05 58.71 1bld n THR 130 Cb 0.00 -1.11 0.07 0.00 -1.55 0.00 0.00 70.33 67.75 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 -0.39 -0.48 3.16 1.09 0.00 -1.26 -5.00 105.19 102.31 1bld n GLY 131 Ca 0.46 0.19 -0.08 0.00 0.00 0.00 0.00 46.02 46.58 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 -5.38 0.81 -0.26 1.61 -1.52 -1.26 -4.78 119.66 108.89 1bld s GLN 132 Ca 0.08 -1.21 -0.18 0.00 -1.95 0.00 0.00 55.36 52.10 1bld s GLN 132 Cb -0.01 0.27 -0.03 0.00 -0.22 0.00 0.00 33.01 33.02 1bld s GLN 132 CO 0.75 -0.22 0.52 1.52 -0.25 0.00 0.00 175.29 177.61 1bld s TYR 133 N -3.94 3.27 0.10 0.91 1.13 -1.26 -1.41 117.35 116.15 1bld s TYR 133 Ca 0.12 0.65 -0.31 0.00 -1.41 0.00 0.00 57.07 56.13 1bld s TYR 133 Cb 0.07 -2.72 -0.08 0.00 -1.10 0.00 0.00 41.96 38.13 1bld s TYR 133 CO -0.06 -0.27 1.38 0.21 -2.51 0.00 0.00 175.55 174.29 1bld s LYS 134 N 2.28 4.33 0.87 -3.49 2.20 -1.21 -4.79 119.74 119.92 1bld s LYS 134 Ca 0.22 2.05 -0.13 0.00 -0.36 0.00 0.00 55.97 57.74 1bld s LYS 134 Cb -0.16 -3.27 0.06 0.00 -1.51 0.00 0.00 37.83 32.95 1bld s LYS 134 CO 0.09 -0.43 0.76 -0.11 -0.36 0.00 0.00 175.35 175.30 1bld n LEU 135 N 4.03 1.75 -0.73 5.43 7.94 -1.26 -4.79 117.00 129.37 1bld n LEU 135 Ca 0.11 0.45 -0.00 0.00 -1.11 0.00 0.00 56.01 55.47 1bld n LEU 135 Cb 0.43 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 43.05 1bld n LEU 135 CO 0.58 -2.80 0.37 0.61 -1.11 0.00 0.00 177.39 175.04 1bld n GLY 136 N 1.07 1.74 0.04 -3.96 0.00 -1.25 -3.32 105.19 99.51 1bld n GLY 136 Ca 0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 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 0.21 3.26 -0.22 1.61 3.41 -1.26 -4.55 113.62 116.07 1bld n SER 137 Ca 0.01 -0.02 0.13 0.00 -0.26 0.00 0.00 58.87 58.72 1bld n SER 137 Cb 0.37 0.30 0.40 0.00 -0.26 0.00 0.00 64.21 65.02 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 -2.50 0.80 -2.12 4.33 5.02 -1.21 -4.89 118.16 117.59 1bld n LYS 138 Ca -0.14 -0.45 -0.32 0.00 -2.02 0.00 0.00 58.31 55.38 1bld n LYS 138 Cb 0.71 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 34.22 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 -2.51 4.07 -4.95 -0.18 -4.23 -1.24 -5.00 115.64 101.58 1bld s THR 139 Ca 0.24 0.95 0.00 0.00 -1.18 0.00 0.00 61.69 61.71 1bld s THR 139 Cb 0.19 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.53 1bld s THR 139 CO 0.52 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 1bld n GLY 140 N -1.28 -2.93 3.26 3.99 0.00 -1.26 -4.70 105.19 102.26 1bld n GLY 140 Ca 0.08 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.00 -3.31 0.00 1.61 0.02 -1.26 -3.57 135.00 126.49 1bld s PRO 141 Ca 0.00 0.09 0.00 0.00 0.02 0.00 0.00 61.00 61.11 1bld s PRO 141 Cb 0.00 -1.34 0.00 0.00 0.02 0.00 0.00 34.50 33.18 1bld s PRO 141 CO 0.00 -5.11 0.00 0.41 -0.33 0.00 0.00 177.00 171.97 1bld n GLY 142 N 1.66 1.42 3.74 0.52 0.00 -1.26 -4.92 105.19 106.35 1bld n GLY 142 Ca 0.14 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 4.55 0.00 1.61 -0.21 -1.23 -4.90 119.66 119.48 1bld s GLN 143 Ca 0.00 1.76 0.11 0.00 0.02 0.00 0.00 55.36 57.26 1bld s GLN 143 Cb 0.00 -3.27 0.50 0.00 1.00 0.00 0.00 33.01 31.24 1bld s GLN 143 CO 0.00 0.00 1.35 1.63 -2.12 0.00 0.00 175.29 176.15 1bld n LYS 144 N 2.54 1.32 0.00 2.91 5.02 -1.26 -3.83 118.16 124.87 1bld n LYS 144 Ca 0.04 -0.50 0.04 0.00 -2.02 0.00 0.00 58.31 55.86 1bld n LYS 144 Cb 0.46 -1.21 0.18 0.00 -0.02 0.00 0.00 35.03 34.44 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 -0.18 1.50 1.21 7.82 0.00 -1.26 -0.99 120.51 128.61 1bld n ALA 145 Ca 0.09 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.63 1bld n ALA 145 Cb 0.15 -1.12 0.28 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.31 0.00 -2.87 0.00 -5.35 -1.25 -4.55 119.36 104.02 1bld n ILE 146 Ca 0.03 -0.29 -0.43 0.00 -0.27 0.00 0.00 62.75 61.78 1bld n ILE 146 Cb 0.06 0.89 -0.03 0.00 -1.74 0.00 0.00 39.64 38.83 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 -2.20 4.81 0.43 7.28 1.43 -0.16 -3.80 118.68 126.47 1bld s LEU 147 Ca 0.29 -1.91 0.05 0.00 -1.03 0.00 0.00 54.13 51.52 1bld s LEU 147 Cb 0.20 -2.42 0.01 0.00 0.03 0.00 0.00 46.19 44.00 1bld s LEU 147 CO 0.41 -1.14 0.60 -0.36 0.23 0.00 0.00 176.35 176.09 1bld s PHE 148 N 3.06 2.96 -0.39 0.29 0.40 0.58 -3.29 117.98 121.58 1bld s PHE 148 Ca 0.34 -0.18 0.08 0.00 -0.60 0.00 0.00 56.93 56.57 1bld s PHE 148 Cb -0.05 -2.35 0.25 0.00 0.51 0.00 0.00 43.02 41.38 1bld s PHE 148 CO -0.09 -0.40 0.52 -0.11 0.70 0.00 0.00 175.22 175.84 1bld n LEU 149 N -1.93 0.08 -4.56 -0.37 7.94 -0.63 -1.01 117.00 116.52 1bld n LEU 149 Ca 0.05 -4.65 -0.37 0.00 -1.11 0.00 0.00 56.01 49.93 1bld n LEU 149 Cb 0.59 0.64 -0.03 0.00 0.53 0.00 0.00 43.42 45.15 1bld n LEU 149 CO 0.42 2.06 1.91 -2.84 -1.11 0.00 0.00 177.39 177.83 1bld s PRO 150 N -1.10 2.34 -0.18 1.96 0.02 -1.26 -3.63 135.00 133.17 1bld s PRO 150 Ca 0.35 1.32 -0.13 0.00 0.02 0.00 0.00 61.00 62.55 1bld s PRO 150 Cb 0.17 -4.51 -0.05 0.00 0.02 0.00 0.00 34.50 30.13 1bld s PRO 150 CO -0.12 -3.01 0.27 -1.64 -0.33 0.00 0.00 177.00 172.17 1bld s MET 151 N 7.75 4.23 0.32 5.54 -1.94 -0.88 -4.84 119.30 129.49 1bld s MET 151 Ca 0.91 0.04 -0.28 0.00 -1.71 0.00 0.00 55.69 54.65 1bld s MET 151 Cb -0.18 -3.45 -0.10 0.00 2.01 0.00 0.00 34.83 33.12 1bld s MET 151 CO 0.26 0.20 1.21 0.45 -0.01 0.00 0.00 175.02 177.14 1bld s SER 152 N 0.57 6.92 -0.76 3.03 0.15 -1.26 -1.64 113.70 120.71 1bld s SER 152 Ca 0.15 2.49 -0.04 0.00 0.70 0.00 0.00 55.95 59.25 1bld s SER 152 Cb -0.13 -2.64 0.12 0.00 -1.71 0.00 0.00 66.02 61.67 1bld s SER 152 CO 0.04 -0.41 2.54 0.00 1.20 0.00 0.00 173.24 176.60 1bld n ALA 153 N 0.84 6.53 -1.00 5.45 0.00 -1.20 -4.73 120.51 126.41 1bld n ALA 153 Ca 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 53.44 49.91 1bld n ALA 153 Cb 0.43 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 0.88 0.00 0.00 0.00 4.76 -1.26 -4.96 118.16 117.58 1bld n LYS 154 Ca 0.53 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 56.12 1bld n LYS 154 Cb 0.42 -0.47 0.75 0.00 -1.84 0.00 0.00 35.03 33.88 1bld n LYS 154 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48