#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o8q s LEU 3 N 0.00 3.05 -0.12 -0.35 1.43 -1.26 -5.03 118.68 116.40 2o8q s LEU 3 Ca 0.00 1.87 -0.02 0.00 -1.03 0.00 0.00 54.13 54.94 2o8q s LEU 3 Cb 0.00 -4.53 -0.03 0.00 0.03 0.00 0.00 46.19 41.66 2o8q s LEU 3 CO 0.00 -2.09 -0.04 -1.10 0.23 0.00 0.00 176.35 173.36 2o8q s GLN 4 N -4.82 3.32 0.12 1.70 -0.21 -1.26 -4.80 119.66 113.71 2o8q s GLN 4 Ca 0.62 -0.50 -0.35 0.00 0.02 0.00 0.00 55.36 55.15 2o8q s GLN 4 Cb -0.18 -2.81 -0.16 0.00 1.00 0.00 0.00 33.01 30.86 2o8q s GLN 4 CO 0.55 0.44 1.38 2.41 -2.12 0.00 0.00 175.29 177.95 2o8q n THR 5 N 2.94 0.17 -3.87 -0.19 -1.04 -1.26 -4.78 114.28 106.25 2o8q n THR 5 Ca -0.18 -0.04 -0.27 0.00 -2.04 0.00 0.00 64.05 61.52 2o8q n THR 5 Cb 0.53 -1.04 -0.17 0.00 -1.82 0.00 0.00 70.33 67.83 2o8q n THR 5 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2o8q s THR 6 N 0.47 0.90 -0.04 12.58 2.01 -0.91 -4.94 115.64 125.71 2o8q s THR 6 Ca 0.81 -0.34 0.03 0.00 0.31 0.00 0.00 61.69 62.50 2o8q s THR 6 Cb -0.86 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 2o8q s THR 6 CO 0.45 0.24 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.86 2o8q s ILE 7 N 1.74 3.18 0.03 1.82 -1.09 -1.26 -0.74 121.20 124.88 2o8q s ILE 7 Ca 0.03 -0.73 0.02 0.00 -2.23 0.00 0.00 60.65 57.75 2o8q s ILE 7 Cb -0.14 -2.27 -0.02 0.00 -1.58 0.00 0.00 42.46 38.46 2o8q s ILE 7 CO -0.08 0.56 -0.08 -1.10 -1.23 0.00 0.00 174.94 173.02 2o8q s GLN 8 N -0.85 0.54 0.08 2.79 -1.52 -0.80 -4.99 119.66 114.91 2o8q s GLN 8 Ca 0.12 -0.60 0.09 0.00 -1.95 0.00 0.00 55.36 53.03 2o8q s GLN 8 Cb -0.11 -0.40 -0.03 0.00 -0.22 0.00 0.00 33.01 32.26 2o8q s GLN 8 CO 0.01 0.09 -0.25 -1.01 -0.25 0.00 0.00 175.29 173.88 2o8q s HIS 9 N -0.97 2.15 -0.32 0.91 3.76 -1.26 -1.10 115.29 118.46 2o8q s HIS 9 Ca -0.05 -0.40 -0.28 0.00 -0.15 0.00 0.00 55.06 54.18 2o8q s HIS 9 Cb -0.08 -1.24 0.02 0.00 1.11 0.00 0.00 32.58 32.39 2o8q s HIS 9 CO 0.00 0.19 1.05 -2.00 -0.85 0.00 0.00 174.74 173.13 2o8q s GLU 10 N -1.53 4.05 0.25 1.40 2.12 -1.24 -4.95 118.70 118.80 2o8q s GLU 10 Ca 0.11 1.02 -0.31 0.00 0.36 0.00 0.00 54.97 56.15 2o8q s GLU 10 Cb -0.10 -3.74 -0.13 0.00 0.26 0.00 0.00 34.13 30.43 2o8q s GLU 10 CO 0.03 -0.88 1.55 -2.30 -0.54 0.00 0.00 175.26 173.12 2o8q n PRO 11 N 6.81 2.42 0.22 4.30 -0.02 -1.26 -4.85 135.00 142.63 2o8q n PRO 11 Ca 0.11 0.87 0.15 0.00 -2.02 0.00 0.00 63.50 62.61 2o8q n PRO 11 Cb 0.47 -2.62 0.65 0.00 -0.02 0.00 0.00 33.50 31.98 2o8q n PRO 11 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2o8q h LYS 12 N 5.05 0.00 -0.04 -0.52 6.56 -1.94 -2.82 116.57 122.87 2o8q h LYS 12 Ca -0.45 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.14 2o8q h LYS 12 Cb 1.24 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.90 2o8q h LYS 12 CO 0.82 0.00 0.00 -0.40 -2.06 0.00 0.00 179.45 177.81 2o8q n ASP 13 N -2.73 1.67 0.00 0.86 5.68 -1.26 -4.92 116.55 115.84 2o8q n ASP 13 Ca 0.01 -1.57 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 2o8q n ASP 13 Cb 0.25 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 2o8q n ASP 13 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2o8q n GLY 14 N 1.19 0.72 2.44 6.12 0.00 -1.06 -5.06 105.19 109.53 2o8q n GLY 14 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 2o8q n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2o8q n SER 15 N 0.00 -0.37 0.00 1.61 3.41 -1.26 -4.59 113.62 112.42 2o8q n SER 15 Ca 0.00 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.39 2o8q n SER 15 Cb 0.00 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 2o8q n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2o8q n GLY 16 N -1.01 0.74 3.83 5.00 0.00 -1.26 -4.39 105.19 108.09 2o8q n GLY 16 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2o8q n GLY 16 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2o8q s PHE 17 N -2.62 3.51 0.11 1.61 0.40 -1.26 -5.09 117.98 114.64 2o8q s PHE 17 Ca 0.00 0.45 0.06 0.00 -0.60 0.00 0.00 56.93 56.84 2o8q s PHE 17 Cb 0.00 -1.97 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 2o8q s PHE 17 CO 0.00 0.61 -0.15 -0.51 0.70 0.00 0.00 175.22 175.87 2o8q s ASP 18 N -0.72 2.04 -0.35 1.36 1.01 -1.26 -5.25 116.67 113.50 2o8q s ASP 18 Ca 0.13 -0.76 -0.01 0.00 0.71 0.00 0.00 52.55 52.63 2o8q s ASP 18 Cb -0.12 -0.08 0.12 0.00 1.01 0.00 0.00 42.92 43.86 2o8q s ASP 18 CO 0.03 -0.10 0.17 -0.13 0.21 0.00 0.00 175.17 175.35 2o8q s ARG 19 N -2.39 0.66 0.00 8.23 0.52 -1.26 -5.32 118.95 119.39 2o8q s ARG 19 Ca 0.07 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.03 2o8q s ARG 19 Cb -0.07 -1.64 0.00 0.00 0.52 0.00 0.00 34.95 33.76 2o8q s ARG 19 CO 0.03 -1.11 0.00 -1.91 0.02 0.00 0.00 175.30 172.33 2o8q n GLU 23 N 4.38 0.00 -0.02 3.54 2.13 -1.26 -5.35 120.64 124.05 2o8q n GLU 23 Ca 0.04 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.94 2o8q n GLU 23 Cb 0.39 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 31.93 2o8q n GLU 23 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2o8q n PHE 24 N -0.26 0.00 -4.02 4.31 3.72 -1.26 -4.89 117.46 115.06 2o8q n PHE 24 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 2o8q n PHE 24 Cb 0.00 -0.57 -0.10 0.00 -0.94 0.00 0.00 39.48 37.87 2o8q n PHE 24 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2o8q s PHE 25 N -3.38 0.38 0.15 1.38 0.08 -1.26 -1.93 117.98 113.39 2o8q s PHE 25 Ca -0.08 -0.81 0.06 0.00 0.12 0.00 0.00 56.93 56.22 2o8q s PHE 25 Cb 0.13 -0.28 -0.04 0.00 -0.57 0.00 0.00 43.02 42.26 2o8q s PHE 25 CO 0.90 -0.34 -0.14 -1.83 -0.10 0.00 0.00 175.22 173.70 2o8q s GLU 26 N -3.11 1.12 -0.03 0.44 -1.05 -0.50 -4.90 118.70 110.67 2o8q s GLU 26 Ca -0.01 -1.35 0.02 0.00 -0.15 0.00 0.00 54.97 53.48 2o8q s GLU 26 Cb 0.02 -0.97 0.00 0.00 -0.44 0.00 0.00 34.13 32.74 2o8q s GLU 26 CO -0.07 0.18 -0.08 0.71 0.95 0.00 0.00 175.26 176.94 2o8q s TYR 27 N -2.42 0.90 -0.20 4.83 1.51 -1.26 -0.61 117.35 120.10 2o8q s TYR 27 Ca 0.13 -0.23 -0.02 0.00 -1.01 0.00 0.00 57.07 55.95 2o8q s TYR 27 Cb -0.03 -0.66 0.00 0.00 -0.11 0.00 0.00 41.96 41.16 2o8q s TYR 27 CO 0.04 -0.11 -0.11 0.50 -1.11 0.00 0.00 175.55 174.77 2o8q s ARG 28 N 0.26 3.23 0.10 -0.62 3.52 0.10 -4.96 118.95 120.57 2o8q s ARG 28 Ca -0.04 -0.70 -0.24 0.00 -0.13 0.00 0.00 55.73 54.61 2o8q s ARG 28 Cb -0.09 -2.83 -0.07 0.00 -1.56 0.00 0.00 34.95 30.41 2o8q s ARG 28 CO 0.00 -0.19 0.74 0.34 -0.81 0.00 0.00 175.30 175.39 2o8q s ASP 29 N 1.36 7.26 0.17 -2.12 -1.08 -1.26 -0.47 116.67 120.53 2o8q s ASP 29 Ca 0.05 1.49 0.26 0.00 -0.52 0.00 0.00 52.55 53.83 2o8q s ASP 29 Cb -0.14 -2.46 0.82 0.00 -1.46 0.00 0.00 42.92 39.67 2o8q s ASP 29 CO -0.07 0.13 1.75 0.35 0.52 0.00 0.00 175.17 177.85 2o8q n THR 30 N 2.18 0.49 -0.38 1.71 -2.24 -0.80 -4.93 114.28 110.31 2o8q n THR 30 Ca -0.05 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2o8q n THR 30 Cb 0.50 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 2o8q n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2o8q n GLY 31 N 1.34 0.69 0.33 3.38 0.00 -1.26 -4.97 105.19 104.70 2o8q n GLY 31 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 2o8q n GLY 31 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2o8q h VAL 32 N 0.00 1.25 0.35 1.61 2.07 -1.88 -1.19 116.25 118.46 2o8q h VAL 32 Ca 0.00 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 2o8q h VAL 32 Cb 0.00 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 2o8q h VAL 32 CO 0.00 0.31 -0.30 -1.13 0.02 0.00 0.00 177.57 176.47 2o8q h ASN 33 N 1.13 -0.80 -0.88 0.57 -1.24 -1.85 -0.55 115.58 111.95 2o8q h ASN 33 Ca 0.27 0.06 0.04 0.00 0.71 0.00 0.00 56.30 57.38 2o8q h ASN 33 Cb 0.16 0.26 -0.06 0.00 0.73 0.00 0.00 38.32 39.41 2o8q h ASN 33 CO -0.03 -0.44 0.56 -0.08 -1.29 0.00 0.00 177.43 176.15 2o8q h GLU 34 N -0.67 1.04 -0.01 6.67 4.81 -1.83 -0.35 114.58 124.24 2o8q h GLU 34 Ca -0.03 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.05 2o8q h GLU 34 Cb 0.59 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2o8q h GLU 34 CO -0.03 0.69 -0.42 0.00 -0.73 0.00 0.00 179.01 178.52 2o8q h ALA 35 N 1.38 1.29 -0.41 2.92 0.00 -0.79 -2.98 119.26 120.66 2o8q h ALA 35 Ca 0.36 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2o8q h ALA 35 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2o8q h ALA 35 CO -0.13 0.53 0.00 0.25 0.00 0.00 0.00 179.25 179.90 2o8q n THR 36 N -4.04 1.36 -2.12 0.00 -2.24 -0.25 -4.98 114.28 102.02 2o8q n THR 36 Ca -0.02 -1.20 -0.20 0.00 -2.27 0.00 0.00 64.05 60.37 2o8q n THR 36 Cb 0.45 0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.95 2o8q n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2o8q n GLY 37 N 0.52 0.33 1.07 3.38 0.00 -0.47 -4.59 105.19 105.44 2o8q n GLY 37 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2o8q n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o8q n GLY 38 N -0.77 -0.16 3.10 -0.02 0.00 -0.26 -5.03 105.19 102.04 2o8q n GLY 38 Ca -0.22 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 2o8q n GLY 38 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2o8q n PHE 40 N -0.51 -4.35 -4.10 1.61 3.01 -1.26 -1.64 117.46 110.22 2o8q n PHE 40 Ca 0.00 0.05 -0.13 0.00 1.01 0.00 0.00 57.45 58.38 2o8q n PHE 40 Cb 0.15 -1.52 -0.11 0.00 -0.01 0.00 0.00 39.48 37.99 2o8q n PHE 40 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2o8q s GLY 41 N -1.17 0.62 -0.18 1.37 0.00 0.10 -2.92 107.32 105.14 2o8q s GLY 41 Ca 0.45 -0.93 -0.10 0.00 0.00 0.00 0.00 44.72 44.13 2o8q s GLY 41 CO 0.79 -1.00 0.44 0.00 0.00 0.00 0.00 173.10 173.33 2o8q s ALA 42 N -1.88 -1.12 0.03 3.20 0.00 -1.26 -0.94 121.76 119.79 2o8q s ALA 42 Ca -0.04 1.58 -0.24 0.00 0.00 0.00 0.00 51.96 53.26 2o8q s ALA 42 Cb -0.07 -0.95 0.06 0.00 0.00 0.00 0.00 23.12 22.16 2o8q s ALA 42 CO -0.00 -0.27 0.55 -3.38 0.00 0.00 0.00 175.76 172.65 2o8q s HIS 43 N 1.30 -0.47 -0.17 0.00 -3.43 -0.70 -1.90 115.29 109.92 2o8q s HIS 43 Ca -0.09 0.59 -0.13 0.00 -0.80 0.00 0.00 55.06 54.63 2o8q s HIS 43 Cb -0.08 0.36 -0.05 0.00 -1.43 0.00 0.00 32.58 31.38 2o8q s HIS 43 CO -0.12 -0.64 0.25 0.08 -2.00 0.00 0.00 174.74 172.32 2o8q s VAL 44 N -2.20 5.33 -0.16 -5.38 1.01 0.38 -1.08 120.40 118.29 2o8q s VAL 44 Ca -0.07 0.46 -0.05 0.00 0.00 0.00 0.00 61.98 62.33 2o8q s VAL 44 Cb -0.01 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 2o8q s VAL 44 CO 0.00 0.39 -0.01 -0.63 0.00 0.00 0.00 175.10 174.86 2o8q s ILE 45 N 0.50 4.15 -0.03 2.22 1.01 0.50 -0.72 121.20 128.83 2o8q s ILE 45 Ca 0.14 -0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.59 2o8q s ILE 45 Cb -0.13 -2.84 -0.01 0.00 0.01 0.00 0.00 42.46 39.50 2o8q s ILE 45 CO 0.03 0.49 -0.22 -0.60 0.00 0.00 0.00 174.94 174.63 2o8q s ARG 46 N 0.34 1.95 0.40 2.79 3.52 0.22 -1.09 118.95 127.07 2o8q s ARG 46 Ca -0.02 -0.78 -0.27 0.00 -0.13 0.00 0.00 55.73 54.53 2o8q s ARG 46 Cb -0.14 -1.78 -0.10 0.00 -1.56 0.00 0.00 34.95 31.38 2o8q s ARG 46 CO 0.02 0.41 1.40 0.00 -0.81 0.00 0.00 175.30 176.32 2o8q s ALA 47 N -0.33 3.39 -0.32 6.12 0.00 -0.51 -1.41 121.76 128.70 2o8q s ALA 47 Ca 0.03 1.41 -0.16 0.00 0.00 0.00 0.00 51.96 53.24 2o8q s ALA 47 Cb -0.10 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 2o8q s ALA 47 CO 0.01 -0.97 0.44 0.42 0.00 0.00 0.00 175.76 175.65 2o8q s ILE 48 N -1.18 5.10 0.09 0.00 1.01 -0.81 -4.85 121.20 120.57 2o8q s ILE 48 Ca 0.55 0.37 -0.31 0.00 0.00 0.00 0.00 60.65 61.27 2o8q s ILE 48 Cb -0.43 -3.85 -0.09 0.00 0.01 0.00 0.00 42.46 38.11 2o8q s ILE 48 CO 0.56 -0.06 1.61 -2.84 0.00 0.00 0.00 174.94 174.21 2o8q s PRO 49 N 2.20 4.21 0.00 2.79 0.02 -1.26 -4.89 135.00 138.07 2o8q s PRO 49 Ca 0.16 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.49 2o8q s PRO 49 Cb -0.16 -3.47 0.00 0.00 0.02 0.00 0.00 34.50 30.89 2o8q s PRO 49 CO 0.12 -0.68 0.00 -1.91 -0.33 0.00 0.00 177.00 174.19 2o8q n GLU 52 N 5.10 0.00 0.00 5.54 0.00 -1.26 -5.18 120.64 124.84 2o8q n GLU 52 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.31 2o8q n GLU 52 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.84 2o8q n GLU 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2o8q n ALA 53 N 0.00 0.00 -3.76 4.31 0.00 -1.26 -5.09 120.51 114.71 2o8q n ALA 53 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 2o8q n ALA 53 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 2o8q n ALA 53 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2o8q s LYS 54 N -2.00 2.08 0.23 0.00 2.36 -1.26 -4.70 119.74 116.44 2o8q s LYS 54 Ca 0.00 -1.64 -0.30 0.00 -2.55 0.00 0.00 55.97 51.48 2o8q s LYS 54 Cb 0.00 -3.40 -0.10 0.00 -1.05 0.00 0.00 37.83 33.28 2o8q s LYS 54 CO 0.00 -0.90 1.42 -2.14 1.55 0.00 0.00 175.35 175.28 2o8q s PRO 55 N 1.15 4.29 -0.07 4.03 0.02 -1.26 -4.98 135.00 138.17 2o8q s PRO 55 Ca 0.04 2.25 -0.02 0.00 0.02 0.00 0.00 61.00 63.29 2o8q s PRO 55 Cb -0.21 -3.13 0.03 0.00 0.02 0.00 0.00 34.50 31.21 2o8q s PRO 55 CO -0.04 -0.40 0.04 0.99 -0.33 0.00 0.00 177.00 177.26 2o8q s THR 56 N 0.15 0.09 0.24 0.99 2.01 -1.26 -5.02 115.64 112.84 2o8q s THR 56 Ca 0.60 0.23 -0.31 0.00 0.31 0.00 0.00 61.69 62.53 2o8q s THR 56 Cb -0.41 -0.36 -0.11 0.00 0.01 0.00 0.00 72.50 71.64 2o8q s THR 56 CO 0.41 0.16 1.56 0.26 -0.69 0.00 0.00 174.62 176.32 2o8q s TRP 57 N 2.08 2.93 0.32 4.92 0.52 -1.26 -4.51 118.94 123.94 2o8q s TRP 57 Ca 0.05 0.75 -0.17 0.00 0.02 0.00 0.00 56.10 56.75 2o8q s TRP 57 Cb -0.13 -3.97 0.03 0.00 -1.15 0.00 0.00 33.47 28.25 2o8q s TRP 57 CO -0.04 -3.39 0.70 -3.38 0.02 0.00 0.00 176.95 170.86 2o8q s HIS 58 N 0.44 0.06 0.10 -1.98 -3.43 -0.15 -1.10 115.29 109.23 2o8q s HIS 58 Ca 0.65 -0.57 0.01 0.00 -0.80 0.00 0.00 55.06 54.35 2o8q s HIS 58 Cb -0.45 0.65 -0.04 0.00 -1.43 0.00 0.00 32.58 31.30 2o8q s HIS 58 CO 0.40 -1.32 -0.03 0.95 -2.00 0.00 0.00 174.74 172.74 2o8q s THR 59 N -3.31 0.50 0.03 -5.38 -4.23 -0.19 -1.54 115.64 101.52 2o8q s THR 59 Ca 0.15 -1.91 0.07 0.00 -1.18 0.00 0.00 61.69 58.82 2o8q s THR 59 Cb -0.05 -1.77 -0.02 0.00 1.34 0.00 0.00 72.50 72.00 2o8q s THR 59 CO 0.10 -0.78 -0.19 -1.00 -0.54 0.00 0.00 174.62 172.20 2o8q s HIS 60 N -3.76 1.70 -1.32 3.99 3.76 -1.26 -1.36 115.29 117.03 2o8q s HIS 60 Ca 0.14 -0.36 -0.13 0.00 -0.15 0.00 0.00 55.06 54.57 2o8q s HIS 60 Cb 0.06 -1.03 0.12 0.00 1.11 0.00 0.00 32.58 32.84 2o8q s HIS 60 CO -0.04 0.06 1.87 0.25 -0.85 0.00 0.00 174.74 176.04 2o8q n THR 61 N 2.02 4.02 -4.43 1.30 -2.24 -0.21 -2.93 114.28 111.82 2o8q n THR 61 Ca -0.17 -4.03 -0.26 0.00 -2.27 0.00 0.00 64.05 57.32 2o8q n THR 61 Cb 0.54 -2.45 -0.13 0.00 -2.10 0.00 0.00 70.33 66.19 2o8q n THR 61 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2o8q s VAL 62 N 1.94 1.89 0.00 2.28 -7.23 -1.26 -4.48 120.40 113.54 2o8q s VAL 62 Ca 0.44 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 2o8q s VAL 62 Cb 0.08 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 35.34 2o8q s VAL 62 CO -0.01 0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 2o8q n GLY 63 N 1.23 1.84 3.79 2.32 0.00 0.71 -4.01 105.19 111.07 2o8q n GLY 63 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 2o8q n GLY 63 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2o8q s PHE 64 N 0.01 3.82 -0.23 1.61 5.36 -1.16 -3.94 117.98 123.45 2o8q s PHE 64 Ca 0.00 1.41 -0.08 0.00 -0.96 0.00 0.00 56.93 57.31 2o8q s PHE 64 Cb 0.00 -2.64 0.10 0.00 -0.34 0.00 0.00 43.02 40.14 2o8q s PHE 64 CO 0.00 0.51 0.48 -1.14 -1.46 0.00 0.00 175.22 173.61 2o8q s GLN 65 N -0.92 0.39 -0.01 10.12 0.74 -1.26 -1.07 119.66 127.66 2o8q s GLN 65 Ca 0.32 1.15 0.02 0.00 0.05 0.00 0.00 55.36 56.91 2o8q s GLN 65 Cb -0.21 0.48 -0.00 0.00 1.10 0.00 0.00 33.01 34.38 2o8q s GLN 65 CO 0.22 -0.24 -0.08 -1.17 -0.55 0.00 0.00 175.29 173.47 2o8q s LEU 66 N 2.69 1.96 0.02 3.68 2.96 -0.25 -1.28 118.68 128.46 2o8q s LEU 66 Ca -0.03 -0.15 0.08 0.00 -0.22 0.00 0.00 54.13 53.82 2o8q s LEU 66 Cb -0.12 -0.42 -0.03 0.00 0.50 0.00 0.00 46.19 46.12 2o8q s LEU 66 CO -0.14 0.09 -0.24 -0.36 -1.32 0.00 0.00 176.35 174.38 2o8q s PHE 67 N -0.10 2.40 -0.08 5.38 0.08 -0.18 -1.09 117.98 124.39 2o8q s PHE 67 Ca 0.02 -0.37 -0.01 0.00 0.12 0.00 0.00 56.93 56.69 2o8q s PHE 67 Cb -0.04 -1.45 0.03 0.00 -0.57 0.00 0.00 43.02 40.98 2o8q s PHE 67 CO -0.00 0.11 -0.02 -0.47 -0.10 0.00 0.00 175.22 174.74 2o8q s TYR 68 N -0.77 0.86 -0.10 0.36 6.14 -0.20 -0.91 117.35 122.74 2o8q s TYR 68 Ca 0.12 -0.30 -0.27 0.00 0.64 0.00 0.00 57.07 57.26 2o8q s TYR 68 Cb -0.10 -0.89 -0.02 0.00 0.42 0.00 0.00 41.96 41.36 2o8q s TYR 68 CO 0.02 -0.36 0.89 0.08 0.64 0.00 0.00 175.55 176.81 2o8q s VAL 69 N 1.84 4.88 -0.19 3.14 1.01 0.38 -0.73 120.40 130.72 2o8q s VAL 69 Ca 0.04 1.80 0.11 0.00 0.00 0.00 0.00 61.98 63.93 2o8q s VAL 69 Cb -0.12 -4.21 -0.23 0.00 0.00 0.00 0.00 36.38 31.82 2o8q s VAL 69 CO -0.06 0.09 0.08 0.18 0.00 0.00 0.00 175.10 175.39 2o8q n LEU 70 N 4.62 1.15 -3.63 3.92 4.77 0.58 -0.53 117.00 127.88 2o8q n LEU 70 Ca 0.05 0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.90 2o8q n LEU 70 Cb 0.50 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.45 2o8q n LEU 70 CO 0.50 0.64 0.27 -0.60 -1.33 0.00 0.00 177.39 176.87 2o8q s ARG 71 N -2.52 0.84 2.31 3.23 3.52 -0.90 -4.79 118.95 120.64 2o8q s ARG 71 Ca -0.17 0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.71 2o8q s ARG 71 Cb 0.07 0.39 0.00 0.00 -1.56 0.00 0.00 34.95 33.86 2o8q s ARG 71 CO 0.76 -0.22 0.00 0.41 -0.81 0.00 0.00 175.30 175.44 2o8q n GLY 72 N 1.54 -1.14 3.20 8.12 0.00 -1.26 -1.31 105.19 114.34 2o8q n GLY 72 Ca -0.18 -1.24 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 2o8q n GLY 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2o8q s TRP 73 N 0.00 -0.00 -0.13 1.61 1.48 -1.26 -2.88 118.94 117.76 2o8q s TRP 73 Ca 0.00 -0.17 -0.11 0.00 -1.06 0.00 0.00 56.10 54.76 2o8q s TRP 73 Cb 0.00 0.01 0.04 0.00 -1.16 0.00 0.00 33.47 32.36 2o8q s TRP 73 CO 0.00 -0.44 0.33 0.54 -4.06 0.00 0.00 176.95 173.33 2o8q s VAL 74 N -2.42 -0.01 -0.22 -0.66 0.11 -0.15 -0.87 120.40 116.19 2o8q s VAL 74 Ca -0.06 0.03 -0.05 0.00 -2.93 0.00 0.00 61.98 58.96 2o8q s VAL 74 Cb -0.02 -0.48 -0.02 0.00 -1.53 0.00 0.00 36.38 34.33 2o8q s VAL 74 CO -0.03 0.01 0.01 -0.70 -3.33 0.00 0.00 175.10 171.06 2o8q s GLU 75 N 0.47 3.55 0.31 1.54 2.12 0.18 -0.68 118.70 126.19 2o8q s GLU 75 Ca -0.02 -0.54 0.08 0.00 0.36 0.00 0.00 54.97 54.84 2o8q s GLU 75 Cb -0.04 -3.15 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 2o8q s GLU 75 CO -0.02 -0.13 0.23 -0.06 -0.54 0.00 0.00 175.26 174.73 2o8q s PHE 76 N 1.39 2.94 -0.01 5.30 0.08 -0.20 -0.32 117.98 127.15 2o8q s PHE 76 Ca 0.05 -0.24 0.01 0.00 0.12 0.00 0.00 56.93 56.87 2o8q s PHE 76 Cb -0.15 -1.62 0.00 0.00 -0.57 0.00 0.00 43.02 40.68 2o8q s PHE 76 CO 0.01 0.33 -0.05 -2.00 -0.10 0.00 0.00 175.22 173.41 2o8q s GLU 77 N -3.91 0.45 0.07 0.44 2.12 0.05 -0.34 118.70 117.58 2o8q s GLU 77 Ca 0.37 -0.16 0.07 0.00 0.36 0.00 0.00 54.97 55.62 2o8q s GLU 77 Cb -0.06 -0.46 -0.03 0.00 0.26 0.00 0.00 34.13 33.84 2o8q s GLU 77 CO 0.25 0.08 -0.19 0.71 -0.54 0.00 0.00 175.26 175.56 2o8q s TYR 78 N 0.06 1.67 0.22 5.30 2.02 -0.35 -0.99 117.35 125.29 2o8q s TYR 78 Ca -0.00 -0.40 -0.08 0.00 -0.37 0.00 0.00 57.07 56.22 2o8q s TYR 78 Cb -0.04 -0.96 0.32 0.00 -0.40 0.00 0.00 41.96 40.88 2o8q s TYR 78 CO -0.00 0.13 1.76 1.49 -1.57 0.00 0.00 175.55 177.36 2o8q h GLU 79 N 4.50 0.51 0.01 -0.62 4.81 -1.59 -1.00 114.58 121.19 2o8q h GLU 79 Ca -0.43 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2o8q h GLU 79 Cb 1.17 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.44 2o8q h GLU 79 CO 0.42 0.34 -0.01 0.38 -0.73 0.00 0.00 179.01 179.41 2o8q h ASP 80 N 0.52 -0.01 -0.01 1.04 2.03 -1.96 -3.39 116.42 114.64 2o8q h ASP 80 Ca 0.34 -0.80 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 2o8q h ASP 80 Cb 0.39 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 2o8q h ASP 80 CO -0.29 0.85 -0.47 2.30 -1.03 0.00 0.00 179.24 180.61 2o8q n ILE 81 N -4.67 0.00 -3.50 4.15 -5.35 -1.23 -5.10 119.36 103.65 2o8q n ILE 81 Ca -0.09 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 2o8q n ILE 81 Cb 0.39 1.14 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 2o8q n ILE 81 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2o8q n GLY 82 N 1.24 -1.07 3.75 3.28 0.00 -0.38 -4.89 105.19 107.12 2o8q n GLY 82 Ca 0.06 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 2o8q n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o8q s ALA 83 N -1.12 3.33 0.00 4.61 0.00 -1.26 -1.21 121.76 126.11 2o8q s ALA 83 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2o8q s ALA 83 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2o8q s ALA 83 CO 0.00 0.14 0.00 0.28 0.00 0.00 0.00 175.76 176.18 2o8q n VAL 84 N 1.68 0.00 -3.65 0.00 0.31 0.53 -4.98 118.33 112.23 2o8q n VAL 84 Ca -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.31 2o8q n VAL 84 Cb 0.47 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.34 2o8q n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2o8q s LEU 86 N 0.00 -0.09 0.00 7.52 1.43 0.15 -1.04 118.68 126.65 2o8q s LEU 86 Ca 0.00 0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 2o8q s LEU 86 Cb 0.00 1.16 0.02 0.00 0.03 0.00 0.00 46.19 47.40 2o8q s LEU 86 CO 0.00 -0.03 0.21 -0.62 0.23 0.00 0.00 176.35 176.14 2o8q n GLU 87 N 2.32 0.81 -1.65 1.70 1.02 -1.26 -0.98 120.64 122.60 2o8q n GLU 87 Ca -0.14 -3.24 -0.45 0.00 -0.02 0.00 0.00 57.16 53.31 2o8q n GLU 87 Cb 0.57 0.59 -0.03 0.00 -0.02 0.00 0.00 31.44 32.55 2o8q n GLU 87 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2o8q n ALA 88 N -1.77 0.59 0.00 0.62 0.00 -1.14 -0.58 120.51 118.24 2o8q n ALA 88 Ca -0.17 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2o8q n ALA 88 Cb 0.58 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.83 2o8q n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2o8q n GLY 89 N 1.89 1.99 3.80 0.00 0.00 0.31 -4.66 105.19 108.52 2o8q n GLY 89 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 2o8q n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2o8q s GLY 90 N -2.06 2.55 0.03 -0.02 0.00 0.26 -3.69 107.32 104.38 2o8q s GLY 90 Ca 0.00 0.56 0.02 0.00 0.00 0.00 0.00 44.72 45.30 2o8q s GLY 90 CO 0.00 0.90 -0.08 -1.35 0.00 0.00 0.00 173.10 172.57 2o8q s SER 91 N -1.92 0.92 -0.15 1.64 1.04 -0.26 -0.47 113.70 114.50 2o8q s SER 91 Ca 0.62 -0.42 -0.01 0.00 0.48 0.00 0.00 55.95 56.61 2o8q s SER 91 Cb -0.16 -0.01 0.04 0.00 0.10 0.00 0.00 66.02 66.00 2o8q s SER 91 CO 0.20 -0.10 -0.02 0.00 0.98 0.00 0.00 173.24 174.30 2o8q s ALA 92 N -0.99 1.13 -0.21 5.32 0.00 -0.08 -1.90 121.76 125.02 2o8q s ALA 92 Ca -0.05 -0.59 -0.20 0.00 0.00 0.00 0.00 51.96 51.12 2o8q s ALA 92 Cb -0.08 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 2o8q s ALA 92 CO 0.00 -0.78 0.59 0.12 0.00 0.00 0.00 175.76 175.69 2o8q s PHE 93 N 1.79 3.35 -0.32 0.00 5.36 0.08 -1.01 117.98 127.23 2o8q s PHE 93 Ca 0.02 0.84 -0.07 0.00 -0.96 0.00 0.00 56.93 56.76 2o8q s PHE 93 Cb -0.15 -2.77 0.02 0.00 -0.34 0.00 0.00 43.02 39.79 2o8q s PHE 93 CO -0.07 -0.19 0.10 -0.65 -1.46 0.00 0.00 175.22 172.94 2o8q s GLN 94 N 1.99 2.89 0.77 10.12 -0.21 -0.41 -2.13 119.66 132.68 2o8q s GLN 94 Ca 0.26 -1.00 -0.15 0.00 0.02 0.00 0.00 55.36 54.50 2o8q s GLN 94 Cb -0.16 -3.43 0.02 0.00 1.00 0.00 0.00 33.01 30.44 2o8q s GLN 94 CO 0.10 -0.55 0.82 -2.30 -2.12 0.00 0.00 175.29 171.24 2o8q n PRO 95 N 4.85 0.26 -1.67 2.91 -0.02 -1.26 -4.08 135.00 135.98 2o8q n PRO 95 Ca -0.14 0.14 -0.55 0.00 -2.02 0.00 0.00 63.50 60.94 2o8q n PRO 95 Cb 0.47 -2.11 -0.07 0.00 -0.02 0.00 0.00 33.50 31.77 2o8q n PRO 95 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2o8q n PRO 96 N -1.86 1.38 -1.18 0.52 -0.02 -1.25 -1.48 135.00 131.10 2o8q n PRO 96 Ca 0.11 0.49 -0.06 0.00 -2.02 0.00 0.00 63.50 62.02 2o8q n PRO 96 Cb 0.50 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 2o8q n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2o8q n GLY 97 N 4.58 0.78 3.72 -1.23 0.00 -1.15 -4.96 105.19 106.94 2o8q n GLY 97 Ca 0.28 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2o8q n GLY 97 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2o8q n VAL 98 N -2.53 1.54 -2.49 1.61 3.14 -0.55 -4.70 118.33 114.36 2o8q n VAL 98 Ca -0.06 -0.38 -0.42 0.00 -2.96 0.00 0.00 64.34 60.51 2o8q n VAL 98 Cb 0.35 -1.70 -0.03 0.00 -1.06 0.00 0.00 33.84 31.41 2o8q n VAL 98 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2o8q s ARG 99 N -1.27 4.34 0.28 1.45 0.52 -1.26 -4.48 118.95 118.52 2o8q s ARG 99 Ca 0.60 1.63 -0.12 0.00 -0.52 0.00 0.00 55.73 57.32 2o8q s ARG 99 Cb -0.56 -3.59 0.00 0.00 0.52 0.00 0.00 34.95 31.33 2o8q s ARG 99 CO 0.57 -0.47 0.51 -3.38 0.02 0.00 0.00 175.30 172.55 2o8q s HIS 100 N 2.39 0.45 0.17 -0.53 -3.43 -0.59 -1.50 115.29 112.25 2o8q s HIS 100 Ca 0.54 -0.82 -0.15 0.00 -0.80 0.00 0.00 55.06 53.84 2o8q s HIS 100 Cb -0.23 0.22 0.02 0.00 -1.43 0.00 0.00 32.58 31.15 2o8q s HIS 100 CO 0.20 -1.08 0.42 -0.98 -2.00 0.00 0.00 174.74 171.30 2o8q s ARG 101 N -3.70 1.23 -0.23 -0.38 1.70 -0.16 -0.97 118.95 116.44 2o8q s ARG 101 Ca 0.23 -0.92 -0.09 0.00 -0.47 0.00 0.00 55.73 54.48 2o8q s ARG 101 Cb -0.01 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 2o8q s ARG 101 CO 0.11 -0.49 0.12 -2.00 -1.08 0.00 0.00 175.30 171.96 2o8q s GLU 102 N -3.88 3.97 -0.04 3.89 2.12 -1.26 -0.77 118.70 122.73 2o8q s GLU 102 Ca 0.10 -0.33 0.03 0.00 0.36 0.00 0.00 54.97 55.13 2o8q s GLU 102 Cb 0.01 -3.42 -0.25 0.00 0.26 0.00 0.00 34.13 30.73 2o8q s GLU 102 CO -0.04 0.07 0.70 -0.07 -0.54 0.00 0.00 175.26 175.37 2o8q h LEU 103 N 7.45 0.21 -7.00 2.70 3.38 -0.99 -3.37 115.31 117.68 2o8q h LEU 103 Ca -0.38 -0.37 0.33 0.00 0.09 0.00 0.00 57.88 57.55 2o8q h LEU 103 Cb 1.17 -0.07 -0.21 0.00 0.09 0.00 0.00 40.66 41.64 2o8q h LEU 103 CO 0.65 1.32 0.99 0.00 0.09 0.00 0.00 178.44 181.50 2o8q s ARG 104 N -2.60 0.01 0.09 1.13 1.70 -1.20 -4.75 118.95 113.33 2o8q s ARG 104 Ca -0.09 -0.00 -0.15 0.00 -0.47 0.00 0.00 55.73 55.01 2o8q s ARG 104 Cb 0.07 0.01 0.03 0.00 -0.57 0.00 0.00 34.95 34.49 2o8q s ARG 104 CO 0.82 -0.01 0.36 -3.38 -1.08 0.00 0.00 175.30 172.02 2o8q s HIS 105 N -1.95 -0.16 0.62 5.89 -3.43 -1.26 -0.64 115.29 114.36 2o8q s HIS 105 Ca 0.12 -0.09 -0.15 0.00 -0.80 0.00 0.00 55.06 54.14 2o8q s HIS 105 Cb -0.01 0.18 -0.02 0.00 -1.43 0.00 0.00 32.58 31.30 2o8q s HIS 105 CO -0.03 -0.62 1.07 -1.54 -2.00 0.00 0.00 174.74 171.62 2o8q s SER 106 N -2.52 5.56 0.44 7.38 1.04 -0.05 -4.95 113.70 120.60 2o8q s SER 106 Ca 0.00 1.83 0.30 0.00 0.48 0.00 0.00 55.95 58.56 2o8q s SER 106 Cb 0.01 -2.53 1.26 0.00 0.10 0.00 0.00 66.02 64.86 2o8q s SER 106 CO -0.08 -1.32 1.89 0.44 0.98 0.00 0.00 173.24 175.15 2o8q h ASP 107 N 0.17 0.00 -0.52 7.02 3.32 -1.97 -2.38 116.42 122.05 2o8q h ASP 107 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2o8q h ASP 107 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2o8q h ASP 107 CO 0.56 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.18 2o8q n ASP 108 N -2.75 5.07 -4.72 6.45 5.75 -1.26 -4.43 116.55 120.66 2o8q n ASP 108 Ca 0.01 -2.82 -0.43 0.00 -0.01 0.00 0.00 54.79 51.54 2o8q n ASP 108 Cb 0.26 -0.62 -0.02 0.00 -1.03 0.00 0.00 41.12 39.71 2o8q n ASP 108 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2o8q n LEU 109 N 0.49 3.88 -3.89 -2.12 7.94 -0.90 -4.14 117.00 118.26 2o8q n LEU 109 Ca 0.26 1.13 -0.20 0.00 -1.11 0.00 0.00 56.01 56.09 2o8q n LEU 109 Cb 1.05 -1.53 -0.16 0.00 0.53 0.00 0.00 43.42 43.30 2o8q n LEU 109 CO 0.26 -0.06 -0.41 -1.61 -1.11 0.00 0.00 177.39 174.47 2o8q s GLU 110 N -0.23 0.78 -0.05 1.96 2.02 -0.43 -1.43 118.70 121.33 2o8q s GLU 110 Ca 0.67 -0.09 -0.03 0.00 0.02 0.00 0.00 54.97 55.54 2o8q s GLU 110 Cb -0.55 -0.80 0.02 0.00 0.10 0.00 0.00 34.13 32.90 2o8q s GLU 110 CO 0.47 -0.08 0.12 0.54 0.02 0.00 0.00 175.26 176.32 2o8q s VAL 111 N 0.91 -0.02 -0.07 2.63 0.11 -0.25 -0.31 120.40 123.40 2o8q s VAL 111 Ca -0.11 0.08 -0.23 0.00 -2.93 0.00 0.00 61.98 58.78 2o8q s VAL 111 Cb -0.14 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 2o8q s VAL 111 CO 0.00 0.03 0.69 -0.22 -3.33 0.00 0.00 175.10 172.27 2o8q s LEU 112 N 0.53 4.32 -0.13 2.54 2.96 0.09 -0.37 118.68 128.62 2o8q s LEU 112 Ca -0.04 1.18 0.00 0.00 -0.22 0.00 0.00 54.13 55.05 2o8q s LEU 112 Cb -0.05 -3.07 -0.02 0.00 0.50 0.00 0.00 46.19 43.55 2o8q s LEU 112 CO -0.02 -0.11 -0.13 -0.70 -1.32 0.00 0.00 176.35 174.07 2o8q s GLU 113 N 0.76 3.34 -0.14 1.98 2.12 -0.24 -1.03 118.70 125.49 2o8q s GLU 113 Ca 0.37 -0.68 0.02 0.00 0.36 0.00 0.00 54.97 55.04 2o8q s GLU 113 Cb -0.18 -2.62 0.01 0.00 0.26 0.00 0.00 34.13 31.60 2o8q s GLU 113 CO 0.18 0.24 -0.21 0.42 -0.54 0.00 0.00 175.26 175.35 2o8q s ILE 114 N 0.28 2.14 -0.01 -3.70 1.09 -0.25 -1.72 121.20 119.03 2o8q s ILE 114 Ca -0.10 -0.96 -0.09 0.00 -1.10 0.00 0.00 60.65 58.40 2o8q s ILE 114 Cb -0.16 -1.86 0.01 0.00 -1.06 0.00 0.00 42.46 39.40 2o8q s ILE 114 CO 0.05 0.55 0.19 0.68 -0.10 0.00 0.00 174.94 176.31 2o8q s VAL 115 N 0.79 0.07 -0.06 2.92 -7.23 -0.11 -1.09 120.40 115.69 2o8q s VAL 115 Ca -0.07 -0.58 0.03 0.00 -1.81 0.00 0.00 61.98 59.55 2o8q s VAL 115 Cb -0.16 -0.47 0.01 0.00 0.56 0.00 0.00 36.38 36.32 2o8q s VAL 115 CO -0.01 -0.32 -0.12 -0.55 -0.31 0.00 0.00 175.10 173.79 2o8q s SER 116 N -1.25 1.75 0.90 4.85 0.15 -0.23 0.00 113.70 119.86 2o8q s SER 116 Ca -0.13 -0.29 -0.13 0.00 0.70 0.00 0.00 55.95 56.10 2o8q s SER 116 Cb -0.06 -0.72 0.13 0.00 -1.71 0.00 0.00 66.02 63.65 2o8q s SER 116 CO 0.02 0.05 1.17 -2.16 1.20 0.00 0.00 173.24 173.52 2o8q s PRO 117 N 0.52 1.22 0.21 5.44 0.04 -1.26 -0.20 135.00 140.96 2o8q s PRO 117 Ca -0.12 0.14 -0.09 0.00 0.04 0.00 0.00 61.00 60.98 2o8q s PRO 117 Cb -0.14 -1.86 0.14 0.00 0.04 0.00 0.00 34.50 32.68 2o8q s PRO 117 CO 0.03 -2.11 1.79 0.00 0.04 0.00 0.00 177.00 176.75 2o8q h ALA 118 N -1.43 0.98 -0.69 8.56 0.00 -1.47 -3.25 119.26 121.95 2o8q h ALA 118 Ca -0.48 -0.16 -0.59 0.00 0.00 0.00 0.00 54.91 53.67 2o8q h ALA 118 Cb 1.32 -0.30 -0.21 0.00 0.00 0.00 0.00 17.79 18.60 2o8q h ALA 118 CO 0.59 0.56 0.63 0.41 0.00 0.00 0.00 179.25 181.45 2o8q n GLY 119 N -0.95 4.75 3.77 0.00 0.00 -1.26 -4.90 105.19 106.60 2o8q n GLY 119 Ca 0.07 -2.09 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 2o8q n GLY 119 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2o8q s PHE 120 N -2.51 2.59 0.38 1.61 -0.12 -1.23 -5.07 117.98 113.64 2o8q s PHE 120 Ca 0.57 1.55 -0.01 0.00 -0.05 0.00 0.00 56.93 58.99 2o8q s PHE 120 Cb 0.40 -3.26 -0.03 0.00 -0.63 0.00 0.00 43.02 39.50 2o8q s PHE 120 CO -0.29 -1.73 0.60 0.00 -0.05 0.00 0.00 175.22 173.75 2o8q s ALA 121 N -2.02 3.65 -0.04 1.99 0.00 -1.26 -4.88 121.76 119.20 2o8q s ALA 121 Ca 0.71 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.84 2o8q s ALA 121 Cb -0.23 -2.20 0.01 0.00 0.00 0.00 0.00 23.12 20.70 2o8q s ALA 121 CO 0.35 -0.11 -0.07 0.99 0.00 0.00 0.00 175.76 176.92 2o8q s THR 122 N -2.41 0.72 -0.06 0.00 2.01 -1.26 -1.04 115.64 113.59 2o8q s THR 122 Ca 0.42 -0.27 0.04 0.00 0.31 0.00 0.00 61.69 62.18 2o8q s THR 122 Cb -0.10 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.73 2o8q s THR 122 CO 0.38 0.25 -0.16 -0.44 -0.69 0.00 0.00 174.62 173.95 2o8q s SER 123 N 0.58 2.17 0.16 3.53 0.01 -0.47 -4.98 113.70 114.70 2o8q s SER 123 Ca -0.09 -0.37 -0.30 0.00 1.31 0.00 0.00 55.95 56.50 2o8q s SER 123 Cb -0.12 -0.80 -0.07 0.00 0.21 0.00 0.00 66.02 65.23 2o8q s SER 123 CO 0.01 0.11 1.16 -0.69 0.41 0.00 0.00 173.24 174.24 2o8q s VAL 124 N 0.30 3.76 -0.01 3.43 1.01 -1.26 -1.02 120.40 126.61 2o8q s VAL 124 Ca -0.10 1.46 -0.30 0.00 0.00 0.00 0.00 61.98 63.03 2o8q s VAL 124 Cb -0.14 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 2o8q s VAL 124 CO 0.04 0.22 1.29 -0.69 0.00 0.00 0.00 175.10 175.96 2o8q s VAL 125 N 0.06 3.95 -0.38 2.92 1.01 -0.26 -4.93 120.40 122.76 2o8q s VAL 125 Ca 0.52 1.33 -0.19 0.00 0.00 0.00 0.00 61.98 63.64 2o8q s VAL 125 Cb -0.31 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.23 2o8q s VAL 125 CO 0.35 0.02 0.56 -1.81 0.00 0.00 0.00 175.10 174.21 2o8q s ASP 126 N 1.58 6.32 0.00 3.32 1.01 -1.26 -4.89 116.67 122.75 2o8q s ASP 126 Ca 0.60 -0.15 0.27 0.00 0.71 0.00 0.00 52.55 53.98 2o8q s ASP 126 Cb -0.29 -2.29 0.73 0.00 1.01 0.00 0.00 42.92 42.09 2o8q s ASP 126 CO 0.25 -0.59 1.57 0.18 0.21 0.00 0.00 175.17 176.79