#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ns2 n GLY 9 N 0.00 0.76 3.86 3.14 0.00 -1.26 -4.66 105.19 107.02 3ns2 n GLY 9 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3ns2 n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ns2 s LEU 10 N 0.00 3.68 0.88 0.99 1.43 -1.26 -5.01 118.68 119.39 3ns2 s LEU 10 Ca 0.00 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.56 3ns2 s LEU 10 Cb 0.00 -2.29 0.16 0.00 0.03 0.00 0.00 46.19 44.09 3ns2 s LEU 10 CO 0.00 -0.30 1.23 0.42 0.23 0.00 0.00 176.35 177.93 3ns2 s THR 11 N -2.26 2.04 0.10 5.49 -4.23 -1.26 -4.90 115.64 110.63 3ns2 s THR 11 Ca 0.40 -0.11 -0.16 0.00 -1.18 0.00 0.00 61.69 60.63 3ns2 s THR 11 Cb -0.06 -2.93 -0.05 0.00 1.34 0.00 0.00 72.50 70.79 3ns2 s THR 11 CO 0.27 0.00 1.54 0.44 -0.54 0.00 0.00 174.62 176.33 3ns2 h ASP 12 N -1.30 0.57 -0.47 3.99 3.32 -2.00 -1.97 116.42 118.55 3ns2 h ASP 12 Ca -0.43 -0.31 -0.08 0.00 0.02 0.00 0.00 57.03 56.23 3ns2 h ASP 12 Cb 1.26 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 3ns2 h ASP 12 CO 0.44 0.74 -0.01 -0.08 -1.72 0.00 0.00 179.24 178.61 3ns2 h GLU 13 N 0.38 0.84 0.05 3.56 4.57 -1.99 -0.66 114.58 121.34 3ns2 h GLU 13 Ca 0.09 -0.27 0.01 0.00 -1.18 0.00 0.00 59.36 58.01 3ns2 h GLU 13 Cb 0.45 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 3ns2 h GLU 13 CO 0.02 0.90 -0.09 0.93 -1.18 0.00 0.00 179.01 179.59 3ns2 h GLU 14 N 0.70 -0.17 -0.81 1.92 5.08 -1.94 -0.56 114.58 118.79 3ns2 h GLU 14 Ca 0.13 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3ns2 h GLU 14 Cb 0.52 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 3ns2 h GLU 14 CO 0.03 -0.11 0.52 1.96 -1.00 0.00 0.00 179.01 180.40 3ns2 h GLN 15 N -0.18 1.07 -0.26 2.33 4.20 -1.18 0.18 115.11 121.27 3ns2 h GLN 15 Ca 0.02 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 3ns2 h GLN 15 Cb 0.19 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3ns2 h GLN 15 CO -0.05 0.73 0.04 -0.22 -0.67 0.00 0.00 178.83 178.66 3ns2 h LYS 16 N 1.10 0.43 -0.24 1.46 3.64 -0.93 -1.08 116.57 120.95 3ns2 h LYS 16 Ca 0.29 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 3ns2 h LYS 16 Cb -0.10 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3ns2 h LYS 16 CO -0.06 0.56 -0.13 1.15 -2.27 0.00 0.00 179.45 178.70 3ns2 h THR 17 N 0.25 1.22 0.00 1.00 2.02 -0.28 -3.07 112.91 114.04 3ns2 h THR 17 Ca 0.08 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.31 3ns2 h THR 17 Cb 0.33 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3ns2 h THR 17 CO 0.01 0.31 -0.59 0.18 0.37 0.00 0.00 175.52 175.79 3ns2 n LEU 18 N -4.22 0.56 -0.22 2.58 4.77 0.55 -4.22 117.00 116.80 3ns2 n LEU 18 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 3ns2 n LEU 18 Cb 0.31 -0.21 0.13 0.00 -2.33 0.00 0.00 43.42 41.32 3ns2 n LEU 18 CO 0.39 0.10 0.88 -0.08 -1.33 0.00 0.00 177.39 177.36 3ns2 h GLU 19 N 0.00 0.19 -0.00 3.23 4.81 -1.09 -0.38 114.58 121.34 3ns2 h GLU 19 Ca 0.00 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 3ns2 h GLU 19 Cb 0.55 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3ns2 h GLU 19 CO 0.00 0.13 -0.49 -1.00 -0.73 0.00 0.00 179.01 176.91 3ns2 h PRO 20 N 0.20 0.00 -0.29 0.92 0.13 -1.79 -1.76 132.00 129.41 3ns2 h PRO 20 Ca 0.36 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.46 3ns2 h PRO 20 Cb 0.58 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 3ns2 h PRO 20 CO -0.50 0.49 0.10 0.28 -0.23 0.00 0.00 178.00 178.14 3ns2 h VAL 21 N 0.00 1.20 -0.38 1.56 2.07 -1.38 -1.47 116.25 117.85 3ns2 h VAL 21 Ca -0.00 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3ns2 h VAL 21 Cb 0.87 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 3ns2 h VAL 21 CO 0.06 0.21 0.18 0.40 0.02 0.00 0.00 177.57 178.45 3ns2 h ILE 22 N 0.32 1.17 0.00 4.57 2.04 -0.99 -0.88 117.51 123.74 3ns2 h ILE 22 Ca 0.10 -0.48 -0.08 0.00 1.00 0.00 0.00 64.86 65.40 3ns2 h ILE 22 Cb 0.23 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3ns2 h ILE 22 CO -0.00 0.18 -0.39 0.11 0.00 0.00 0.00 178.15 178.05 3ns2 h LYS 23 N 0.47 0.00 0.20 2.37 1.57 -1.26 -0.18 116.57 119.75 3ns2 h LYS 23 Ca 0.13 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.60 3ns2 h LYS 23 Cb 0.12 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.45 3ns2 h LYS 23 CO -0.02 0.39 -1.46 1.15 -0.57 0.00 0.00 179.45 178.94 3ns2 h THR 24 N 0.00 1.17 0.00 -0.16 2.02 -0.97 -3.43 112.91 111.55 3ns2 h THR 24 Ca -0.00 -2.57 -0.03 0.00 0.77 0.00 0.00 66.41 64.58 3ns2 h THR 24 Cb 0.69 2.94 -0.00 0.00 -1.74 0.00 0.00 68.15 70.03 3ns2 h THR 24 CO 0.05 0.80 -1.21 -1.22 0.37 0.00 0.00 175.52 174.30 3ns2 n TYR 25 N -3.77 0.00 -1.69 3.16 4.01 -0.36 -4.78 117.16 113.73 3ns2 n TYR 25 Ca -0.20 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.40 3ns2 n TYR 25 Cb 1.03 -0.13 0.12 0.00 -0.31 0.00 0.00 39.34 40.05 3ns2 n TYR 25 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3ns2 n HIS 26 N -1.82 1.84 -3.33 -0.72 8.25 -0.08 -4.91 115.22 114.44 3ns2 n HIS 26 Ca -0.03 -2.01 -0.38 0.00 -0.26 0.00 0.00 57.72 55.04 3ns2 n HIS 26 Cb 0.29 -0.52 -0.06 0.00 1.12 0.00 0.00 29.99 30.83 3ns2 n HIS 26 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3ns2 s GLN 27 N -3.46 4.11 0.21 -0.41 -1.52 -1.23 -4.89 119.66 112.47 3ns2 s GLN 27 Ca 0.49 0.64 0.11 0.00 -1.95 0.00 0.00 55.36 54.64 3ns2 s GLN 27 Cb 0.42 -3.17 -0.04 0.00 -0.22 0.00 0.00 33.01 30.00 3ns2 s GLN 27 CO 0.00 0.61 -0.18 -0.59 -0.25 0.00 0.00 175.29 174.88 3ns2 s PHE 28 N -1.19 2.40 -0.35 0.91 -0.12 -1.26 -5.11 117.98 113.27 3ns2 s PHE 28 Ca 0.30 -0.31 -0.15 0.00 -0.05 0.00 0.00 56.93 56.72 3ns2 s PHE 28 Cb -0.18 -1.15 -0.01 0.00 -0.63 0.00 0.00 43.02 41.05 3ns2 s PHE 28 CO 0.18 0.55 0.35 -1.83 -0.05 0.00 0.00 175.22 174.42 3ns2 s GLU 29 N -2.94 3.53 0.38 1.99 1.03 -1.26 -5.06 118.70 116.37 3ns2 s GLU 29 Ca 0.24 -0.47 -0.25 0.00 0.03 0.00 0.00 54.97 54.52 3ns2 s GLU 29 Cb -0.07 -3.81 -0.12 0.00 -0.80 0.00 0.00 34.13 29.32 3ns2 s GLU 29 CO 0.13 -0.53 0.86 -2.30 -1.33 0.00 0.00 175.26 172.09 3ns2 n PRO 30 N 5.35 1.07 -3.45 -4.83 -0.02 -1.26 -5.00 135.00 126.86 3ns2 n PRO 30 Ca -0.10 0.38 0.01 0.00 -2.02 0.00 0.00 63.50 61.77 3ns2 n PRO 30 Cb 0.49 -1.80 -0.04 0.00 -0.02 0.00 0.00 33.50 32.13 3ns2 n PRO 30 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3ns2 s ASP 31 N -0.77 -0.60 0.43 2.55 -1.08 -1.26 -5.03 116.67 110.91 3ns2 s ASP 31 Ca 0.62 0.84 0.30 0.00 -0.52 0.00 0.00 52.55 53.79 3ns2 s ASP 31 Cb -0.62 1.64 1.51 0.00 -1.46 0.00 0.00 42.92 43.98 3ns2 s ASP 31 CO 0.58 -0.12 1.90 1.55 0.52 0.00 0.00 175.17 179.60 3ns2 h PRO 32 N 7.35 0.00 -0.00 4.34 0.13 -2.04 -2.06 132.00 139.72 3ns2 h PRO 32 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3ns2 h PRO 32 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3ns2 h PRO 32 CO 0.10 0.00 -0.63 0.25 -0.23 0.00 0.00 178.00 177.49 3ns2 n THR 33 N -2.57 0.00 -4.50 1.56 -2.24 -1.26 -4.95 114.28 100.33 3ns2 n THR 33 Ca -0.01 -0.07 -0.24 0.00 -2.27 0.00 0.00 64.05 61.46 3ns2 n THR 33 Cb 0.11 0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 68.94 3ns2 n THR 33 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ns2 s THR 34 N -2.83 2.24 -0.07 4.28 -4.23 -0.77 -1.00 115.64 113.25 3ns2 s THR 34 Ca 0.13 -2.27 0.03 0.00 -1.18 0.00 0.00 61.69 58.41 3ns2 s THR 34 Cb 0.17 -2.47 -0.02 0.00 1.34 0.00 0.00 72.50 71.52 3ns2 s THR 34 CO 0.71 -0.30 -0.17 0.00 -0.54 0.00 0.00 174.62 174.31 3ns2 s THR 36 N -0.27 1.04 0.05 0.00 -4.23 -1.26 -1.50 115.64 109.47 3ns2 s THR 36 Ca 0.01 -1.38 -0.27 0.00 -1.18 0.00 0.00 61.69 58.87 3ns2 s THR 36 Cb -0.13 -1.11 0.08 0.00 1.34 0.00 0.00 72.50 72.68 3ns2 s THR 36 CO 0.03 -0.32 0.68 -0.55 -0.54 0.00 0.00 174.62 173.92 3ns2 s SER 37 N -1.91 -0.57 -0.12 3.99 0.15 -1.04 -5.00 113.70 109.20 3ns2 s SER 37 Ca -0.01 0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.95 3ns2 s SER 37 Cb -0.08 0.54 0.01 0.00 -1.71 0.00 0.00 66.02 64.77 3ns2 s SER 37 CO 0.02 -0.77 -0.23 -0.22 1.20 0.00 0.00 173.24 173.24 3ns2 s LEU 38 N -2.08 2.10 -0.04 3.45 2.96 -1.26 -1.96 118.68 121.84 3ns2 s LEU 38 Ca -0.03 -0.58 0.04 0.00 -0.22 0.00 0.00 54.13 53.34 3ns2 s LEU 38 Cb -0.01 -1.43 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 3ns2 s LEU 38 CO -0.04 0.11 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.33 3ns2 s ILE 39 N 0.62 3.07 0.12 6.68 -1.09 0.52 -4.97 121.20 126.15 3ns2 s ILE 39 Ca -0.12 -0.77 0.10 0.00 -2.23 0.00 0.00 60.65 57.63 3ns2 s ILE 39 Cb -0.17 -2.22 -0.04 0.00 -1.58 0.00 0.00 42.46 38.46 3ns2 s ILE 39 CO 0.03 0.55 -0.25 0.42 -1.23 0.00 0.00 174.94 174.46 3ns2 s THR 40 N -0.77 2.06 -0.09 2.92 -4.23 -1.26 -0.83 115.64 113.44 3ns2 s THR 40 Ca 0.12 -1.69 -0.04 0.00 -1.18 0.00 0.00 61.69 58.91 3ns2 s THR 40 Cb -0.11 -1.84 0.05 0.00 1.34 0.00 0.00 72.50 71.94 3ns2 s THR 40 CO 0.01 0.02 0.18 -1.58 -0.54 0.00 0.00 174.62 172.71 3ns2 s GLN 41 N -2.03 0.08 -0.09 3.99 2.00 -0.23 -4.99 119.66 118.39 3ns2 s GLN 41 Ca 0.11 0.52 -0.19 0.00 -2.00 0.00 0.00 55.36 53.80 3ns2 s GLN 41 Cb -0.10 -0.20 -0.04 0.00 0.80 0.00 0.00 33.01 33.47 3ns2 s GLN 41 CO 0.05 -0.25 0.53 0.50 -0.50 0.00 0.00 175.29 175.63 3ns2 s ARG 42 N 1.85 4.33 -0.10 1.67 3.52 -1.26 -0.84 118.95 128.12 3ns2 s ARG 42 Ca -0.02 0.57 0.02 0.00 -0.13 0.00 0.00 55.73 56.16 3ns2 s ARG 42 Cb -0.12 -3.41 0.01 0.00 -1.56 0.00 0.00 34.95 29.87 3ns2 s ARG 42 CO -0.06 0.20 -0.15 0.42 -0.81 0.00 0.00 175.30 174.90 3ns2 s ILE 43 N 0.44 1.42 -1.38 4.11 1.01 0.45 -4.99 121.20 122.26 3ns2 s ILE 43 Ca 0.29 -0.61 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 3ns2 s ILE 43 Cb -0.16 -1.30 0.10 0.00 0.01 0.00 0.00 42.46 41.10 3ns2 s ILE 43 CO 0.13 0.42 2.10 1.41 0.00 0.00 0.00 174.94 179.00 3ns2 n HIS 44 N 4.10 3.20 -3.54 3.97 8.25 -1.26 -0.35 115.22 129.59 3ns2 n HIS 44 Ca -0.20 -2.89 -0.12 0.00 -0.26 0.00 0.00 57.72 54.26 3ns2 n HIS 44 Cb 0.51 -2.26 -0.04 0.00 1.12 0.00 0.00 29.99 29.32 3ns2 n HIS 44 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ns2 s ALA 45 N 1.78 -1.26 0.61 -1.41 0.00 -1.26 -4.79 121.76 115.43 3ns2 s ALA 45 Ca 0.44 0.29 -0.17 0.00 0.00 0.00 0.00 51.96 52.52 3ns2 s ALA 45 Cb 0.12 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.92 3ns2 s ALA 45 CO -0.05 -0.66 1.15 -2.14 0.00 0.00 0.00 175.76 174.06 3ns2 s PRO 46 N -3.50 2.96 0.50 0.00 0.02 -1.26 -3.06 135.00 130.66 3ns2 s PRO 46 Ca 0.00 1.61 0.26 0.00 0.02 0.00 0.00 61.00 62.89 3ns2 s PRO 46 Cb 0.00 -1.95 1.33 0.00 0.02 0.00 0.00 34.50 33.90 3ns2 s PRO 46 CO -0.10 -1.16 2.02 0.00 -0.33 0.00 0.00 177.00 177.43 3ns2 h ALA 47 N 0.60 1.25 0.00 -1.55 0.00 -1.91 -1.41 119.26 116.25 3ns2 h ALA 47 Ca -0.49 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3ns2 h ALA 47 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3ns2 h ALA 47 CO 0.55 0.19 0.00 0.43 0.00 0.00 0.00 179.25 180.41 3ns2 n SER 48 N -3.63 0.47 -0.06 0.00 7.64 -1.26 -0.86 113.62 115.91 3ns2 n SER 48 Ca -0.02 0.60 -0.18 0.00 1.01 0.00 0.00 58.87 60.28 3ns2 n SER 48 Cb 0.28 -0.71 -0.13 0.00 -1.01 0.00 0.00 64.21 62.64 3ns2 n SER 48 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3ns2 n VAL 49 N -2.00 1.63 -0.09 0.44 0.31 -0.58 -4.41 118.33 113.64 3ns2 n VAL 49 Ca 0.03 -0.65 -0.13 0.00 -0.01 0.00 0.00 64.34 63.58 3ns2 n VAL 49 Cb 0.24 -1.47 -0.05 0.00 -0.91 0.00 0.00 33.84 31.65 3ns2 n VAL 49 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3ns2 h VAL 50 N 0.03 1.31 -0.42 2.52 2.07 -1.09 -3.34 116.25 117.33 3ns2 h VAL 50 Ca -0.48 -1.35 0.02 0.00 0.82 0.00 0.00 66.70 65.70 3ns2 h VAL 50 Cb 2.00 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 33.36 3ns2 h VAL 50 CO 0.02 0.42 0.25 -0.25 0.02 0.00 0.00 177.57 178.03 3ns2 h TRP 51 N 0.31 0.47 -0.36 1.57 2.91 -1.23 -2.48 115.95 117.14 3ns2 h TRP 51 Ca 0.05 0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.16 3ns2 h TRP 51 Cb 0.75 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 29.23 3ns2 h TRP 51 CO 0.07 0.28 0.25 -1.35 -1.03 0.00 0.00 178.44 176.67 3ns2 h PRO 52 N 0.51 0.11 -0.61 2.65 0.11 -1.77 0.82 132.00 133.81 3ns2 h PRO 52 Ca 0.16 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.24 3ns2 h PRO 52 Cb -0.00 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.05 3ns2 h PRO 52 CO -0.07 0.07 0.26 -0.07 -0.21 0.00 0.00 178.00 177.98 3ns2 h LEU 53 N 0.11 0.83 -0.24 2.35 3.38 -1.59 -2.53 115.31 117.62 3ns2 h LEU 53 Ca 0.17 -0.16 -0.21 0.00 0.09 0.00 0.00 57.88 57.77 3ns2 h LEU 53 Cb 0.53 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3ns2 h LEU 53 CO -0.02 0.76 -0.81 0.40 0.09 0.00 0.00 178.44 178.86 3ns2 h ILE 54 N 0.85 1.34 0.00 1.22 2.04 -1.30 -3.29 117.51 118.36 3ns2 h ILE 54 Ca 0.21 -2.14 -0.04 0.00 1.00 0.00 0.00 64.86 63.88 3ns2 h ILE 54 Cb 0.18 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 3ns2 h ILE 54 CO -0.02 0.66 -0.19 -0.09 0.00 0.00 0.00 178.15 178.51 3ns2 h ARG 55 N 0.37 0.00 -6.10 2.37 9.65 -0.75 -3.39 114.38 116.53 3ns2 h ARG 55 Ca -0.06 0.00 -0.58 0.00 -1.10 0.00 0.00 59.98 58.24 3ns2 h ARG 55 Cb 1.42 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 29.91 3ns2 h ARG 55 CO 0.15 0.19 1.44 0.50 2.80 0.00 0.00 179.97 185.05 3ns2 s ARG 56 N -3.60 3.52 0.40 0.20 6.06 -0.96 -4.83 118.95 119.74 3ns2 s ARG 56 Ca 0.01 -1.03 0.15 0.00 -2.50 0.00 0.00 55.73 52.37 3ns2 s ARG 56 Cb 0.10 -5.28 0.84 0.00 0.06 0.00 0.00 34.95 30.67 3ns2 s ARG 56 CO 0.63 -2.27 1.87 0.35 -2.50 0.00 0.00 175.30 173.38 3ns2 h PHE 57 N 9.90 0.00 -0.16 5.12 3.57 -1.86 -2.55 116.94 130.96 3ns2 h PHE 57 Ca 0.17 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3ns2 h PHE 57 Cb 1.01 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.75 3ns2 h PHE 57 CO 1.27 0.32 0.00 -0.40 -2.23 0.00 0.00 178.31 177.27 3ns2 n ASP 58 N -4.01 1.19 -2.70 0.41 3.85 -1.26 -4.23 116.55 109.81 3ns2 n ASP 58 Ca -0.02 -1.77 -0.15 0.00 -0.71 0.00 0.00 54.79 52.14 3ns2 n ASP 58 Cb 0.38 -0.11 0.01 0.00 -1.35 0.00 0.00 41.12 40.05 3ns2 n ASP 58 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 3ns2 n ASN 59 N 0.06 2.16 0.23 -1.12 4.05 -0.96 -4.61 115.26 115.06 3ns2 n ASN 59 Ca 0.12 -2.99 0.16 0.00 0.45 0.00 0.00 54.58 52.32 3ns2 n ASN 59 Cb 0.23 -0.53 0.73 0.00 1.23 0.00 0.00 39.78 41.44 3ns2 n ASN 59 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3ns2 h PRO 60 N 2.91 0.00 0.00 1.20 0.13 -1.74 -2.61 132.00 131.89 3ns2 h PRO 60 Ca 0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3ns2 h PRO 60 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 3ns2 h PRO 60 CO 0.58 0.00 -0.01 0.93 -0.23 0.00 0.00 178.00 179.28 3ns2 h GLU 61 N 0.00 0.00 0.00 0.86 3.07 -1.82 -0.37 114.58 116.31 3ns2 h GLU 61 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3ns2 h GLU 61 Cb 0.26 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.17 3ns2 h GLU 61 CO 0.00 0.01 -0.00 0.00 -1.40 0.00 0.00 179.01 177.62 3ns2 h ARG 62 N 0.00 0.00 0.00 2.33 3.08 -1.84 -3.28 114.38 114.67 3ns2 h ARG 62 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ns2 h ARG 62 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3ns2 h ARG 62 CO 0.00 0.00 0.00 2.48 -1.07 0.00 0.00 179.97 181.38 3ns2 n TYR 63 N -3.09 0.00 -4.72 3.04 0.18 -0.82 -4.78 117.16 106.97 3ns2 n TYR 63 Ca -0.01 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.46 3ns2 n TYR 63 Cb 0.23 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.06 3ns2 n TYR 63 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3ns2 s LYS 64 N -0.02 2.17 0.44 -3.48 1.02 -0.21 -3.88 119.74 115.79 3ns2 s LYS 64 Ca 0.00 -0.92 -0.03 0.00 0.02 0.00 0.00 55.97 55.04 3ns2 s LYS 64 Cb 0.00 -2.23 -0.03 0.00 -0.52 0.00 0.00 37.83 35.05 3ns2 s LYS 64 CO 0.00 0.56 0.71 -1.01 -0.92 0.00 0.00 175.35 174.69 3ns2 s HIS 65 N -0.88 3.50 0.00 3.18 3.76 -1.26 -4.25 115.29 119.34 3ns2 s HIS 65 Ca 0.14 0.61 0.00 0.00 -0.15 0.00 0.00 55.06 55.66 3ns2 s HIS 65 Cb -0.11 -2.20 0.00 0.00 1.11 0.00 0.00 32.58 31.38 3ns2 s HIS 65 CO 0.04 -0.19 0.00 1.19 -0.85 0.00 0.00 174.74 174.93 3ns2 n PHE 66 N -2.12 0.00 -3.79 1.40 3.72 -1.26 -4.93 117.46 110.47 3ns2 n PHE 66 Ca -0.01 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.02 3ns2 n PHE 66 Cb 0.56 -0.93 -0.13 0.00 -0.94 0.00 0.00 39.48 38.04 3ns2 n PHE 66 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3ns2 s VAL 67 N -1.74 3.54 0.00 -4.37 1.01 -1.26 -0.99 120.40 116.59 3ns2 s VAL 67 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.73 3ns2 s VAL 67 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.34 3ns2 s VAL 67 CO 0.00 -0.19 0.00 1.17 0.00 0.00 0.00 175.10 176.08 3ns2 n LYS 68 N 4.75 0.00 -4.01 2.72 4.81 0.21 -4.65 118.16 121.99 3ns2 n LYS 68 Ca -0.12 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.05 3ns2 n LYS 68 Cb 0.44 -0.30 -0.04 0.00 0.02 0.00 0.00 35.03 35.15 3ns2 n LYS 68 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3ns2 s ARG 69 N 0.00 3.19 -0.07 1.64 1.81 -1.25 -4.90 118.95 119.37 3ns2 s ARG 69 Ca 0.00 -0.72 -0.07 0.00 -1.72 0.00 0.00 55.73 53.22 3ns2 s ARG 69 Cb 0.00 -2.82 0.02 0.00 -0.45 0.00 0.00 34.95 31.70 3ns2 s ARG 69 CO 0.00 0.51 0.20 0.00 -0.68 0.00 0.00 175.30 175.33 3ns2 s ARG 71 N -0.04 0.83 -0.04 0.00 1.70 -0.81 -4.94 118.95 115.65 3ns2 s ARG 71 Ca -0.01 -0.49 -0.28 0.00 -0.47 0.00 0.00 55.73 54.48 3ns2 s ARG 71 Cb -0.02 0.36 -0.03 0.00 -0.57 0.00 0.00 34.95 34.69 3ns2 s ARG 71 CO 0.00 -0.27 0.89 -0.51 -1.08 0.00 0.00 175.30 174.34 3ns2 s LEU 72 N -2.07 4.33 0.00 -1.89 1.43 -1.26 -0.32 118.68 118.90 3ns2 s LEU 72 Ca -0.05 1.48 0.19 0.00 -1.03 0.00 0.00 54.13 54.72 3ns2 s LEU 72 Cb -0.01 -3.40 -0.20 0.00 0.03 0.00 0.00 46.19 42.61 3ns2 s LEU 72 CO -0.03 -0.24 0.81 2.30 0.23 0.00 0.00 176.35 179.41 3ns2 n ILE 73 N 3.97 0.00 -3.67 -0.59 -5.35 0.18 -4.92 119.36 108.99 3ns2 n ILE 73 Ca 0.04 -0.06 -0.14 0.00 -0.27 0.00 0.00 62.75 62.32 3ns2 n ILE 73 Cb 0.51 1.01 -0.08 0.00 -1.74 0.00 0.00 39.64 39.33 3ns2 n ILE 73 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3ns2 s SER 74 N -2.76 -0.64 0.00 7.28 0.15 -1.03 -4.97 113.70 111.72 3ns2 s SER 74 Ca 0.07 1.24 0.00 0.00 0.70 0.00 0.00 55.95 57.96 3ns2 s SER 74 Cb 0.14 1.25 0.00 0.00 -1.71 0.00 0.00 66.02 65.70 3ns2 s SER 74 CO 0.77 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.60 3ns2 n GLY 75 N 2.79 -0.58 0.00 9.45 0.00 -1.26 -0.69 105.19 114.89 3ns2 n GLY 75 Ca -0.14 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3ns2 n GLY 75 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ns2 n ASP 76 N -0.70 1.16 0.00 1.61 8.00 -1.26 -4.92 116.55 120.45 3ns2 n ASP 76 Ca 0.00 -1.47 0.00 0.00 0.71 0.00 0.00 54.79 54.03 3ns2 n ASP 76 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3ns2 n ASP 76 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ns2 n GLY 77 N -0.23 1.19 3.98 0.44 0.00 -1.26 -5.07 105.19 104.24 3ns2 n GLY 77 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3ns2 n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ns2 s ASP 78 N -1.38 3.89 0.25 1.61 -0.00 -1.26 -4.75 116.67 115.03 3ns2 s ASP 78 Ca 0.00 -0.23 -0.31 0.00 -0.00 0.00 0.00 52.55 52.01 3ns2 s ASP 78 Cb 0.00 -0.00 -0.13 0.00 -0.00 0.00 0.00 42.92 42.79 3ns2 s ASP 78 CO 0.00 -2.19 1.47 0.52 -0.00 0.00 0.00 175.17 174.98 3ns2 n VAL 79 N -3.15 0.89 0.00 -1.27 0.31 -1.26 -1.51 118.33 112.34 3ns2 n VAL 79 Ca 0.16 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3ns2 n VAL 79 Cb 0.60 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 3ns2 n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ns2 n GLY 80 N 2.27 1.58 3.76 2.92 0.00 0.25 -5.03 105.19 110.94 3ns2 n GLY 80 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3ns2 n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ns2 s SER 81 N -1.66 5.56 -0.09 1.61 0.01 -0.57 -4.73 113.70 113.82 3ns2 s SER 81 Ca 0.00 2.35 0.02 0.00 1.31 0.00 0.00 55.95 59.63 3ns2 s SER 81 Cb 0.00 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.64 3ns2 s SER 81 CO 0.00 -1.34 -0.16 -0.69 0.41 0.00 0.00 173.24 171.46 3ns2 s VAL 82 N -1.60 1.51 0.05 3.43 1.01 0.14 -0.94 120.40 124.00 3ns2 s VAL 82 Ca 0.72 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 62.07 3ns2 s VAL 82 Cb -0.29 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3ns2 s VAL 82 CO 0.33 0.44 -0.04 0.00 0.00 0.00 0.00 175.10 175.83 3ns2 s ARG 83 N 0.77 2.49 -0.19 2.72 1.70 -0.02 -0.64 118.95 125.78 3ns2 s ARG 83 Ca -0.11 -0.81 -0.06 0.00 -0.47 0.00 0.00 55.73 54.27 3ns2 s ARG 83 Cb -0.16 -2.49 -0.03 0.00 -0.57 0.00 0.00 34.95 31.69 3ns2 s ARG 83 CO 0.02 0.56 0.03 -2.00 -1.08 0.00 0.00 175.30 172.84 3ns2 s GLU 84 N -1.92 3.82 0.07 3.89 2.12 0.56 -1.13 118.70 126.12 3ns2 s GLU 84 Ca 0.21 -0.42 0.10 0.00 0.36 0.00 0.00 54.97 55.22 3ns2 s GLU 84 Cb -0.11 -3.15 -0.03 0.00 0.26 0.00 0.00 34.13 31.10 3ns2 s GLU 84 CO 0.13 0.17 -0.26 0.14 -0.54 0.00 0.00 175.26 174.89 3ns2 s VAL 85 N 0.63 2.15 -0.24 3.70 -7.23 0.10 -1.93 120.40 117.60 3ns2 s VAL 85 Ca 0.01 -1.50 -0.08 0.00 -1.81 0.00 0.00 61.98 58.60 3ns2 s VAL 85 Cb -0.13 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 3ns2 s VAL 85 CO 0.02 0.27 0.10 -0.89 -0.31 0.00 0.00 175.10 174.29 3ns2 s THR 86 N -0.89 4.78 -0.13 5.32 2.01 -0.48 -0.70 115.64 125.56 3ns2 s THR 86 Ca 0.12 -0.02 -0.03 0.00 0.31 0.00 0.00 61.69 62.08 3ns2 s THR 86 Cb -0.10 -3.22 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 3ns2 s THR 86 CO 0.03 0.35 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.59 3ns2 s VAL 87 N 1.24 3.98 -0.06 3.82 1.01 0.05 0.64 120.40 131.06 3ns2 s VAL 87 Ca 0.06 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 3ns2 s VAL 87 Cb -0.14 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 3ns2 s VAL 87 CO 0.05 0.53 0.07 0.27 0.00 0.00 0.00 175.10 176.02 3ns2 s ILE 88 N -0.07 4.83 0.00 2.22 -4.36 -0.16 -2.32 121.20 121.33 3ns2 s ILE 88 Ca 0.02 -0.18 0.00 0.00 -0.26 0.00 0.00 60.65 60.23 3ns2 s ILE 88 Cb -0.13 -3.12 0.00 0.00 1.25 0.00 0.00 42.46 40.46 3ns2 s ILE 88 CO 0.02 0.51 0.00 -1.54 0.24 0.00 0.00 174.94 174.17 3ns2 n SER 89 N 1.71 0.00 0.27 4.36 3.41 -1.26 -4.79 113.62 117.32 3ns2 n SER 89 Ca -0.17 -0.34 0.17 0.00 -0.26 0.00 0.00 58.87 58.27 3ns2 n SER 89 Cb 0.54 0.00 0.66 0.00 -0.26 0.00 0.00 64.21 65.15 3ns2 n SER 89 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3ns2 h GLY 90 N 0.00 0.00 -1.91 5.00 0.00 -2.04 -3.44 103.07 100.68 3ns2 h GLY 90 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 3ns2 h GLY 90 CO 0.00 0.00 -0.01 1.08 0.00 0.00 0.00 176.54 177.61 3ns2 s LEU 91 N -6.20 3.39 0.77 3.11 1.43 -1.26 -5.05 118.68 114.87 3ns2 s LEU 91 Ca 0.01 0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 53.20 3ns2 s LEU 91 Cb 0.09 -3.09 0.03 0.00 0.03 0.00 0.00 46.19 43.25 3ns2 s LEU 91 CO 0.55 -0.99 0.98 -2.65 0.23 0.00 0.00 176.35 174.47 3ns2 n PRO 92 N -2.31 0.32 -1.65 1.29 -0.02 -1.26 -4.87 135.00 126.50 3ns2 n PRO 92 Ca 0.05 0.17 -0.43 0.00 -2.02 0.00 0.00 63.50 61.27 3ns2 n PRO 92 Cb 0.59 -2.25 -0.01 0.00 -0.02 0.00 0.00 33.50 31.81 3ns2 n PRO 92 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ns2 n ALA 93 N -2.86 0.61 -2.55 3.55 0.00 -1.26 -4.75 120.51 113.25 3ns2 n ALA 93 Ca 0.13 0.38 -0.15 0.00 0.00 0.00 0.00 53.44 53.79 3ns2 n ALA 93 Cb 0.50 -2.15 -0.11 0.00 0.00 0.00 0.00 19.45 17.69 3ns2 n ALA 93 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ns2 s SER 94 N -0.40 1.48 -0.11 0.00 1.04 -0.98 -4.96 113.70 109.76 3ns2 s SER 94 Ca 0.57 -0.76 -0.10 0.00 0.48 0.00 0.00 55.95 56.15 3ns2 s SER 94 Cb -0.63 -0.01 -0.05 0.00 0.10 0.00 0.00 66.02 65.44 3ns2 s SER 94 CO 0.61 -0.22 0.21 -0.89 0.98 0.00 0.00 173.24 173.93 3ns2 s THR 95 N -2.13 5.38 -0.02 2.02 2.01 -1.26 -0.77 115.64 120.86 3ns2 s THR 95 Ca 0.03 0.37 0.06 0.00 0.31 0.00 0.00 61.69 62.46 3ns2 s THR 95 Cb -0.05 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 68.95 3ns2 s THR 95 CO 0.01 0.56 -0.20 -0.55 -0.69 0.00 0.00 174.62 173.75 3ns2 s SER 96 N -0.67 2.35 -0.08 3.53 0.15 0.12 -3.66 113.70 115.44 3ns2 s SER 96 Ca 0.16 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.45 3ns2 s SER 96 Cb -0.13 -0.35 -0.03 0.00 -1.71 0.00 0.00 66.02 63.81 3ns2 s SER 96 CO 0.05 0.23 -0.10 0.42 1.20 0.00 0.00 173.24 175.04 3ns2 s THR 97 N -0.36 3.41 -0.01 6.45 -4.23 -0.38 0.03 115.64 120.55 3ns2 s THR 97 Ca 0.05 -0.58 0.02 0.00 -1.18 0.00 0.00 61.69 60.00 3ns2 s THR 97 Cb -0.09 -2.39 -0.00 0.00 1.34 0.00 0.00 72.50 71.36 3ns2 s THR 97 CO -0.00 0.58 -0.05 -1.61 -0.54 0.00 0.00 174.62 172.99 3ns2 s GLU 98 N -0.52 0.45 -0.02 3.99 2.02 -0.28 -0.28 118.70 124.06 3ns2 s GLU 98 Ca 0.07 -0.19 0.06 0.00 0.02 0.00 0.00 54.97 54.94 3ns2 s GLU 98 Cb -0.12 -0.44 -0.02 0.00 0.10 0.00 0.00 34.13 33.65 3ns2 s GLU 98 CO 0.02 0.11 -0.20 0.50 0.02 0.00 0.00 175.26 175.70 3ns2 s ARG 99 N -0.07 2.25 -0.31 1.61 3.52 0.29 -0.84 118.95 125.39 3ns2 s ARG 99 Ca 0.01 -0.85 -0.28 0.00 -0.13 0.00 0.00 55.73 54.49 3ns2 s ARG 99 Cb -0.03 -2.20 0.01 0.00 -1.56 0.00 0.00 34.95 31.18 3ns2 s ARG 99 CO -0.00 0.58 1.01 -1.17 -0.81 0.00 0.00 175.30 174.91 3ns2 s LEU 100 N -0.82 3.98 -0.18 -0.88 2.96 -0.11 -1.76 118.68 121.87 3ns2 s LEU 100 Ca 0.11 0.97 0.18 0.00 -0.22 0.00 0.00 54.13 55.17 3ns2 s LEU 100 Cb -0.10 -3.43 -0.26 0.00 0.50 0.00 0.00 46.19 42.90 3ns2 s LEU 100 CO 0.01 -0.81 0.14 -0.62 -1.32 0.00 0.00 176.35 173.74 3ns2 n GLU 101 N 6.70 0.68 -3.64 1.98 -0.58 0.20 -0.58 120.64 125.40 3ns2 n GLU 101 Ca 0.10 -0.01 -0.10 0.00 -0.42 0.00 0.00 57.16 56.72 3ns2 n GLU 101 Cb 0.47 -1.53 -0.07 0.00 -0.57 0.00 0.00 31.44 29.74 3ns2 n GLU 101 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3ns2 s PHE 102 N -2.59 -0.85 -0.02 -0.32 5.36 -1.12 -4.85 117.98 113.58 3ns2 s PHE 102 Ca -0.10 1.90 0.00 0.00 -0.96 0.00 0.00 56.93 57.78 3ns2 s PHE 102 Cb 0.07 0.42 0.03 0.00 -0.34 0.00 0.00 43.02 43.19 3ns2 s PHE 102 CO 0.84 -0.42 0.01 0.08 -1.46 0.00 0.00 175.22 174.27 3ns2 s VAL 103 N 0.88 0.07 -0.23 3.12 1.01 -1.26 -0.85 120.40 123.14 3ns2 s VAL 103 Ca -0.04 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.08 3ns2 s VAL 103 Cb -0.05 -0.17 0.05 0.00 0.00 0.00 0.00 36.38 36.21 3ns2 s VAL 103 CO -0.08 0.11 -0.10 -0.62 0.00 0.00 0.00 175.10 174.41 3ns2 s ASP 104 N 0.93 3.85 0.27 3.32 3.68 0.19 -4.99 116.67 123.92 3ns2 s ASP 104 Ca -0.09 -1.12 0.13 0.00 2.13 0.00 0.00 52.55 53.60 3ns2 s ASP 104 Cb -0.12 -1.34 0.27 0.00 -1.45 0.00 0.00 42.92 40.28 3ns2 s ASP 104 CO -0.02 -0.18 1.54 0.44 0.13 0.00 0.00 175.17 177.08 3ns2 h ASP 105 N 7.90 0.00 -0.21 -0.34 3.32 -1.97 0.66 116.42 125.78 3ns2 h ASP 105 Ca -0.23 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.66 3ns2 h ASP 105 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 3ns2 h ASP 105 CO 0.46 0.61 -0.47 0.44 -1.72 0.00 0.00 179.24 178.56 3ns2 h ASP 106 N 0.00 0.79 0.05 6.45 3.32 -1.96 -3.21 116.42 121.85 3ns2 h ASP 106 Ca -0.01 -0.56 0.00 0.00 0.02 0.00 0.00 57.03 56.49 3ns2 h ASP 106 Cb 1.25 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.57 3ns2 h ASP 106 CO 0.08 1.20 -0.28 1.41 -1.72 0.00 0.00 179.24 179.93 3ns2 n HIS 107 N -4.16 0.00 -3.45 4.55 8.25 -1.22 -4.98 115.22 114.22 3ns2 n HIS 107 Ca -0.06 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.22 3ns2 n HIS 107 Cb 0.58 -0.03 0.07 0.00 1.12 0.00 0.00 29.99 31.73 3ns2 n HIS 107 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3ns2 n ARG 108 N 0.07 -4.28 -5.25 -0.41 1.74 0.12 -4.38 116.66 104.27 3ns2 n ARG 108 Ca 0.12 0.77 -0.31 0.00 -0.77 0.00 0.00 57.85 57.66 3ns2 n ARG 108 Cb 0.45 -5.56 -0.16 0.00 -1.02 0.00 0.00 32.46 26.17 3ns2 n ARG 108 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ns2 s VAL 109 N -3.44 2.16 -0.04 1.55 1.01 -0.59 -1.00 120.40 120.04 3ns2 s VAL 109 Ca 0.20 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 3ns2 s VAL 109 Cb -0.04 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.60 3ns2 s VAL 109 CO 0.76 0.58 0.08 -0.22 0.00 0.00 0.00 175.10 176.30 3ns2 s LEU 110 N -0.49 1.27 0.05 3.92 0.20 -0.17 -0.63 118.68 122.83 3ns2 s LEU 110 Ca 0.06 0.16 0.06 0.00 0.69 0.00 0.00 54.13 55.11 3ns2 s LEU 110 Cb -0.11 0.20 -0.02 0.00 -0.43 0.00 0.00 46.19 45.83 3ns2 s LEU 110 CO 0.00 -0.09 -0.18 -0.44 -0.29 0.00 0.00 176.35 175.36 3ns2 s SER 111 N 0.62 2.12 0.11 3.68 0.01 -0.03 -0.68 113.70 119.53 3ns2 s SER 111 Ca -0.05 -0.52 -0.05 0.00 1.31 0.00 0.00 55.95 56.64 3ns2 s SER 111 Cb -0.07 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 65.99 3ns2 s SER 111 CO -0.02 0.09 0.13 0.72 0.41 0.00 0.00 173.24 174.56 3ns2 s PHE 112 N -0.88 0.49 0.03 2.43 -0.12 -0.70 -0.63 117.98 118.60 3ns2 s PHE 112 Ca 0.05 -0.91 -0.00 0.00 -0.05 0.00 0.00 56.93 56.01 3ns2 s PHE 112 Cb -0.09 -0.24 -0.03 0.00 -0.63 0.00 0.00 43.02 42.03 3ns2 s PHE 112 CO 0.02 -0.55 -0.03 -0.98 -0.05 0.00 0.00 175.22 173.63 3ns2 s ARG 113 N -3.95 0.42 0.03 1.99 1.70 -0.72 -1.41 118.95 117.00 3ns2 s ARG 113 Ca 0.14 -0.81 -0.29 0.00 -0.47 0.00 0.00 55.73 54.29 3ns2 s ARG 113 Cb 0.06 0.12 -0.04 0.00 -0.57 0.00 0.00 34.95 34.52 3ns2 s ARG 113 CO -0.05 -0.06 0.92 0.08 -1.08 0.00 0.00 175.30 175.11 3ns2 s VAL 114 N -2.24 4.78 -0.27 4.99 1.01 -0.45 -0.55 120.40 127.67 3ns2 s VAL 114 Ca -0.08 1.96 -0.12 0.00 0.00 0.00 0.00 61.98 63.73 3ns2 s VAL 114 Cb -0.04 -4.27 -0.12 0.00 0.00 0.00 0.00 36.38 31.95 3ns2 s VAL 114 CO -0.04 0.23 -0.34 0.52 0.00 0.00 0.00 175.10 175.48 3ns2 n VAL 115 N 3.50 1.47 -4.15 2.92 0.31 0.61 -4.70 118.33 118.29 3ns2 n VAL 115 Ca 0.03 -0.39 -0.10 0.00 -0.01 0.00 0.00 64.34 63.87 3ns2 n VAL 115 Cb 0.50 -1.82 -0.10 0.00 -0.91 0.00 0.00 33.84 31.51 3ns2 n VAL 115 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3ns2 s GLY 116 N -5.58 0.89 0.00 2.92 0.00 -1.17 -5.01 107.32 99.38 3ns2 s GLY 116 Ca -0.37 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 42.93 3ns2 s GLY 116 CO 0.48 -1.39 0.00 0.61 0.00 0.00 0.00 173.10 172.80 3ns2 n GLY 117 N -0.07 2.20 2.79 0.20 0.00 -1.26 -1.25 105.19 107.80 3ns2 n GLY 117 Ca -0.08 -1.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 3ns2 n GLY 117 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ns2 n GLU 118 N -1.05 4.25 -4.39 1.61 2.13 -1.24 -5.02 120.64 116.94 3ns2 n GLU 118 Ca 0.00 -4.76 -0.20 0.00 0.66 0.00 0.00 57.16 52.85 3ns2 n GLU 118 Cb 0.00 -2.35 -0.13 0.00 0.27 0.00 0.00 31.44 29.22 3ns2 n GLU 118 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 3ns2 s HIS 119 N -3.80 1.25 0.28 4.31 -3.43 -1.26 -4.95 115.29 107.68 3ns2 s HIS 119 Ca 0.44 -0.34 -0.01 0.00 -0.80 0.00 0.00 55.06 54.34 3ns2 s HIS 119 Cb 0.23 -0.75 0.40 0.00 -1.43 0.00 0.00 32.58 31.03 3ns2 s HIS 119 CO -0.12 0.03 1.84 -0.09 -2.00 0.00 0.00 174.74 174.40 3ns2 h ARG 120 N 5.00 0.86 -5.34 -0.38 2.43 -2.02 -3.39 114.38 111.54 3ns2 h ARG 120 Ca -0.38 -0.16 -0.65 0.00 -0.81 0.00 0.00 59.98 57.99 3ns2 h ARG 120 Cb 1.18 -0.14 -0.15 0.00 -0.42 0.00 0.00 29.97 30.44 3ns2 h ARG 120 CO 0.44 0.74 0.38 -0.51 -1.51 0.00 0.00 179.97 179.52 3ns2 s LEU 121 N -9.41 4.58 0.26 3.80 1.02 -1.26 -4.72 118.68 112.95 3ns2 s LEU 121 Ca -0.10 -0.86 -0.07 0.00 0.02 0.00 0.00 54.13 53.11 3ns2 s LEU 121 Cb 0.16 -2.52 -0.06 0.00 0.02 0.00 0.00 46.19 43.79 3ns2 s LEU 121 CO 0.80 -1.22 0.55 -0.54 0.02 0.00 0.00 176.35 175.96 3ns2 s LYS 122 N 3.52 3.71 -1.35 1.70 -0.14 -1.26 -4.47 119.74 121.44 3ns2 s LYS 122 Ca 0.21 0.14 -0.03 0.00 -1.36 0.00 0.00 55.97 54.93 3ns2 s LYS 122 Cb -0.17 -2.65 0.00 0.00 -1.68 0.00 0.00 37.83 33.34 3ns2 s LYS 122 CO 0.12 0.26 0.40 0.09 -0.76 0.00 0.00 175.35 175.46 3ns2 n ASN 123 N -0.56 -5.35 -4.73 2.83 3.02 -1.26 -1.09 115.26 108.11 3ns2 n ASN 123 Ca -0.01 -0.19 -0.42 0.00 -0.03 0.00 0.00 54.58 53.94 3ns2 n ASN 123 Cb 0.53 -4.25 -0.03 0.00 -0.61 0.00 0.00 39.78 35.43 3ns2 n ASN 123 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3ns2 s TYR 124 N -3.03 3.18 0.01 3.10 5.04 -1.26 -4.45 117.35 119.94 3ns2 s TYR 124 Ca 0.20 1.09 -0.01 0.00 -2.44 0.00 0.00 57.07 55.91 3ns2 s TYR 124 Cb -0.09 -3.69 -0.01 0.00 0.35 0.00 0.00 41.96 38.52 3ns2 s TYR 124 CO 0.24 -2.26 -0.01 0.15 -1.34 0.00 0.00 175.55 172.34 3ns2 s LYS 125 N 0.11 0.25 0.04 4.97 1.02 -0.45 -1.34 119.74 124.33 3ns2 s LYS 125 Ca 0.59 -0.44 -0.10 0.00 0.02 0.00 0.00 55.97 56.05 3ns2 s LYS 125 Cb -0.38 0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.02 3ns2 s LYS 125 CO 0.38 -0.04 0.20 -1.54 -0.92 0.00 0.00 175.35 173.42 3ns2 s SER 126 N -1.09 0.02 -0.06 2.83 1.04 -0.50 -1.19 113.70 114.74 3ns2 s SER 126 Ca -0.12 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.00 3ns2 s SER 126 Cb -0.07 0.29 0.01 0.00 0.10 0.00 0.00 66.02 66.34 3ns2 s SER 126 CO -0.01 -0.54 -0.15 -0.69 0.98 0.00 0.00 173.24 172.84 3ns2 s VAL 127 N -2.45 1.29 -0.06 5.02 1.01 -0.23 -1.73 120.40 123.25 3ns2 s VAL 127 Ca -0.06 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.38 3ns2 s VAL 127 Cb -0.02 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.21 3ns2 s VAL 127 CO -0.03 0.39 -0.21 -0.89 0.00 0.00 0.00 175.10 174.35 3ns2 s THR 128 N 0.46 1.79 0.08 3.92 2.01 0.14 -0.93 115.64 123.11 3ns2 s THR 128 Ca -0.12 -0.90 0.09 0.00 0.31 0.00 0.00 61.69 61.07 3ns2 s THR 128 Cb -0.15 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 3ns2 s THR 128 CO 0.04 0.50 -0.22 -0.94 -0.69 0.00 0.00 174.62 173.31 3ns2 s SER 129 N 0.09 2.72 -0.17 3.53 1.04 0.23 -1.00 113.70 120.13 3ns2 s SER 129 Ca -0.08 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 55.72 3ns2 s SER 129 Cb -0.14 -0.19 0.02 0.00 0.10 0.00 0.00 66.02 65.81 3ns2 s SER 129 CO 0.04 0.13 -0.19 -0.69 0.98 0.00 0.00 173.24 173.52 3ns2 s VAL 130 N -0.99 1.96 -0.08 5.02 1.01 -0.17 -1.34 120.40 125.80 3ns2 s VAL 130 Ca 0.09 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3ns2 s VAL 130 Cb -0.10 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.51 3ns2 s VAL 130 CO 0.04 0.51 -0.15 0.20 0.00 0.00 0.00 175.10 175.70 3ns2 s ASN 131 N 1.33 2.11 0.09 3.32 0.01 -0.49 -4.66 114.94 116.65 3ns2 s ASN 131 Ca 0.05 -0.36 -0.02 0.00 -0.71 0.00 0.00 52.86 51.81 3ns2 s ASN 131 Cb -0.13 -0.97 -0.05 0.00 0.41 0.00 0.00 41.25 40.52 3ns2 s ASN 131 CO -0.12 0.05 0.28 -0.70 -1.51 0.00 0.00 177.10 175.09 3ns2 s GLU 132 N 0.67 3.51 0.05 -0.60 2.12 -1.26 -0.17 118.70 123.02 3ns2 s GLU 132 Ca -0.14 -0.29 0.00 0.00 0.36 0.00 0.00 54.97 54.90 3ns2 s GLU 132 Cb -0.16 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 31.23 3ns2 s GLU 132 CO 0.04 0.56 -0.04 -0.06 -0.54 0.00 0.00 175.26 175.21 3ns2 s PHE 133 N -1.56 0.56 -0.21 5.30 0.08 0.47 -4.94 117.98 117.69 3ns2 s PHE 133 Ca 0.37 -0.87 -0.03 0.00 0.12 0.00 0.00 56.93 56.52 3ns2 s PHE 133 Cb -0.13 -0.38 -0.01 0.00 -0.57 0.00 0.00 43.02 41.94 3ns2 s PHE 133 CO 0.26 -0.26 -0.07 -1.17 -0.10 0.00 0.00 175.22 173.88 3ns2 s LEU 134 N -2.51 2.78 -0.04 -0.37 2.96 -1.26 -1.10 118.68 119.14 3ns2 s LEU 134 Ca 0.02 -0.42 -0.30 0.00 -0.22 0.00 0.00 54.13 53.21 3ns2 s LEU 134 Cb 0.02 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 3ns2 s LEU 134 CO -0.06 0.00 1.31 0.21 -1.32 0.00 0.00 176.35 176.49 3ns2 s ASN 135 N 1.35 6.94 -0.02 3.68 3.84 0.16 -4.95 114.94 125.95 3ns2 s ASN 135 Ca 0.04 1.94 -0.24 0.00 0.21 0.00 0.00 52.86 54.82 3ns2 s ASN 135 Cb -0.14 -2.56 -0.16 0.00 -0.55 0.00 0.00 41.25 37.84 3ns2 s ASN 135 CO -0.04 -0.67 1.11 1.56 -2.79 0.00 0.00 177.10 176.27 3ns2 h GLN 136 N 7.75 -0.29 -0.65 0.43 4.20 -1.97 -0.22 115.11 124.36 3ns2 h GLN 136 Ca -0.35 0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.31 3ns2 h GLN 136 Cb 1.16 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.98 3ns2 h GLN 136 CO 0.90 0.07 0.12 -0.44 -0.67 0.00 0.00 178.83 178.82 3ns2 h ASP 137 N -0.77 1.01 0.74 1.46 3.32 -1.97 -3.28 116.42 116.93 3ns2 h ASP 137 Ca -0.03 -0.25 -0.16 0.00 0.02 0.00 0.00 57.03 56.61 3ns2 h ASP 137 Cb 0.50 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 3ns2 h ASP 137 CO 0.05 1.00 -1.37 0.77 -1.72 0.00 0.00 179.24 177.97 3ns2 h SER 138 N 0.98 0.00 0.00 6.45 4.64 -1.98 -3.48 113.55 120.16 3ns2 h SER 138 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3ns2 h SER 138 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3ns2 h SER 138 CO 0.01 0.55 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 3ns2 n GLY 139 N 1.38 0.66 3.94 -0.77 0.00 -0.09 -5.03 105.19 105.27 3ns2 n GLY 139 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 3ns2 n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ns2 s LYS 140 N -0.02 3.51 0.21 1.61 1.02 -1.23 -4.85 119.74 119.98 3ns2 s LYS 140 Ca 0.00 -0.36 0.03 0.00 0.02 0.00 0.00 55.97 55.65 3ns2 s LYS 140 Cb 0.00 -2.77 -0.03 0.00 -0.52 0.00 0.00 37.83 34.50 3ns2 s LYS 140 CO 0.00 0.31 0.35 0.14 -0.92 0.00 0.00 175.35 175.23 3ns2 s VAL 141 N -2.04 5.26 0.29 3.17 -7.23 -1.26 0.36 120.40 118.95 3ns2 s VAL 141 Ca 0.39 -0.72 -0.10 0.00 -1.81 0.00 0.00 61.98 59.74 3ns2 s VAL 141 Cb -0.10 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 33.05 3ns2 s VAL 141 CO 0.31 -0.23 0.50 -0.72 -0.31 0.00 0.00 175.10 174.66 3ns2 s TYR 142 N -1.89 0.57 0.04 2.82 1.13 -0.26 -4.32 117.35 115.44 3ns2 s TYR 142 Ca 0.35 -0.92 0.07 0.00 -1.41 0.00 0.00 57.07 55.16 3ns2 s TYR 142 Cb -0.10 0.16 -0.02 0.00 -1.10 0.00 0.00 41.96 40.89 3ns2 s TYR 142 CO 0.29 -1.09 -0.21 0.99 -2.51 0.00 0.00 175.55 173.02 3ns2 s THR 143 N -3.54 1.65 -0.20 -3.49 2.01 0.53 -0.39 115.64 112.21 3ns2 s THR 143 Ca 0.25 -1.15 -0.02 0.00 0.31 0.00 0.00 61.69 61.07 3ns2 s THR 143 Cb -0.01 -1.43 -0.00 0.00 0.01 0.00 0.00 72.50 71.07 3ns2 s THR 143 CO 0.13 0.23 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.50 3ns2 s VAL 144 N -0.76 2.95 -0.17 3.82 1.01 0.76 -0.41 120.40 127.59 3ns2 s VAL 144 Ca 0.07 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 3ns2 s VAL 144 Cb -0.09 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 3ns2 s VAL 144 CO 0.01 0.47 0.20 -0.69 0.00 0.00 0.00 175.10 175.09 3ns2 s VAL 145 N 1.31 5.37 -0.13 2.92 1.01 -0.02 -1.40 120.40 129.45 3ns2 s VAL 145 Ca 0.04 0.35 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 3ns2 s VAL 145 Cb -0.14 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 3ns2 s VAL 145 CO -0.05 0.45 -0.10 -0.76 0.00 0.00 0.00 175.10 174.63 3ns2 s LEU 146 N 0.19 2.89 -0.08 3.92 1.43 -0.45 -1.07 118.68 125.51 3ns2 s LEU 146 Ca 0.12 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3ns2 s LEU 146 Cb -0.12 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.46 3ns2 s LEU 146 CO 0.01 0.18 -0.05 -0.70 0.23 0.00 0.00 176.35 176.02 3ns2 s GLU 147 N 0.28 1.11 0.09 1.70 2.12 -0.01 -0.60 118.70 123.40 3ns2 s GLU 147 Ca -0.08 -0.13 0.08 0.00 0.36 0.00 0.00 54.97 55.20 3ns2 s GLU 147 Cb -0.15 -1.20 -0.04 0.00 0.26 0.00 0.00 34.13 33.00 3ns2 s GLU 147 CO 0.05 -0.19 -0.14 -1.54 -0.54 0.00 0.00 175.26 172.89 3ns2 s SER 148 N 1.45 4.10 0.10 -1.70 1.04 -0.10 -0.35 113.70 118.23 3ns2 s SER 148 Ca -0.02 -0.45 -0.01 0.00 0.48 0.00 0.00 55.95 55.95 3ns2 s SER 148 Cb -0.13 -0.69 -0.04 0.00 0.10 0.00 0.00 66.02 65.25 3ns2 s SER 148 CO -0.04 0.20 0.02 -0.72 0.98 0.00 0.00 173.24 173.68 3ns2 s TYR 149 N -1.13 0.72 0.02 5.02 1.13 -0.83 -1.07 117.35 121.22 3ns2 s TYR 149 Ca 0.19 -1.16 0.04 0.00 -1.41 0.00 0.00 57.07 54.73 3ns2 s TYR 149 Cb -0.11 -0.45 -0.02 0.00 -1.10 0.00 0.00 41.96 40.29 3ns2 s TYR 149 CO 0.11 -0.45 -0.12 0.99 -2.51 0.00 0.00 175.55 173.56 3ns2 s THR 150 N -3.98 0.97 -0.04 -3.49 2.01 -0.33 -2.50 115.64 108.27 3ns2 s THR 150 Ca 0.17 -0.80 -0.22 0.00 0.31 0.00 0.00 61.69 61.15 3ns2 s THR 150 Cb 0.08 -0.87 0.05 0.00 0.01 0.00 0.00 72.50 71.77 3ns2 s THR 150 CO -0.03 0.07 0.48 0.54 -0.69 0.00 0.00 174.62 174.98 3ns2 s VAL 151 N -0.66 0.03 0.29 3.82 0.11 -0.56 -1.34 120.40 122.08 3ns2 s VAL 151 Ca 0.02 -0.24 -0.29 0.00 -2.93 0.00 0.00 61.98 58.53 3ns2 s VAL 151 Cb -0.07 -0.79 -0.10 0.00 -1.53 0.00 0.00 36.38 33.90 3ns2 s VAL 151 CO 0.01 -0.13 1.13 -1.81 -3.33 0.00 0.00 175.10 170.96 3ns2 s ASP 152 N -1.18 7.18 -0.27 3.54 1.11 -0.25 -0.42 116.67 126.39 3ns2 s ASP 152 Ca -0.12 2.33 -0.29 0.00 0.18 0.00 0.00 52.55 54.65 3ns2 s ASP 152 Cb -0.03 -2.63 0.01 0.00 1.07 0.00 0.00 42.92 41.34 3ns2 s ASP 152 CO 0.07 -0.21 1.05 -0.63 1.18 0.00 0.00 175.17 176.63 3ns2 s ILE 153 N -1.17 4.61 0.60 0.77 1.01 -0.17 -4.36 121.20 122.49 3ns2 s ILE 153 Ca 0.45 1.91 -0.18 0.00 0.00 0.00 0.00 60.65 62.83 3ns2 s ILE 153 Cb -0.33 -4.35 -0.03 0.00 0.01 0.00 0.00 42.46 37.76 3ns2 s ILE 153 CO 0.43 -0.30 1.19 -2.84 0.00 0.00 0.00 174.94 173.42 3ns2 s PRO 154 N 3.38 2.97 0.25 2.79 0.02 -1.26 -4.94 135.00 138.21 3ns2 s PRO 154 Ca 0.45 1.77 -0.30 0.00 0.02 0.00 0.00 61.00 62.93 3ns2 s PRO 154 Cb -0.14 -1.93 -0.11 0.00 0.02 0.00 0.00 34.50 32.34 3ns2 s PRO 154 CO 0.10 -1.20 1.57 -1.21 -0.33 0.00 0.00 177.00 175.93 3ns2 s GLU 155 N -3.40 4.17 0.00 5.54 0.41 -1.26 -1.69 118.70 122.47 3ns2 s GLU 155 Ca 0.76 2.49 0.00 0.00 -0.41 0.00 0.00 54.97 57.81 3ns2 s GLU 155 Cb -0.29 -3.07 0.00 0.00 -1.78 0.00 0.00 34.13 28.99 3ns2 s GLU 155 CO 0.33 -0.59 0.00 0.41 -0.49 0.00 0.00 175.26 174.92 3ns2 n GLY 156 N 2.66 1.71 3.91 -1.39 0.00 -1.26 -5.05 105.19 105.76 3ns2 n GLY 156 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3ns2 n GLY 156 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ns2 s ASN 157 N -2.09 6.44 0.26 1.61 -0.87 -0.68 -5.11 114.94 114.50 3ns2 s ASN 157 Ca 0.00 0.62 0.01 0.00 -1.57 0.00 0.00 52.86 51.92 3ns2 s ASN 157 Cb 0.00 -2.10 -0.04 0.00 -0.02 0.00 0.00 41.25 39.09 3ns2 s ASN 157 CO 0.00 -0.12 0.43 0.42 -2.57 0.00 0.00 177.10 175.27 3ns2 s THR 158 N -1.96 5.19 0.19 1.60 -4.23 -1.26 -4.84 115.64 110.34 3ns2 s THR 158 Ca 0.42 -0.59 -0.11 0.00 -1.18 0.00 0.00 61.69 60.23 3ns2 s THR 158 Cb -0.11 -3.81 0.12 0.00 1.34 0.00 0.00 72.50 70.04 3ns2 s THR 158 CO 0.29 -0.34 1.84 -0.08 -0.54 0.00 0.00 174.62 175.78 3ns2 h GLU 159 N 1.35 0.91 -0.64 3.99 4.81 -1.98 -2.22 114.58 120.81 3ns2 h GLU 159 Ca -0.50 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 58.60 3ns2 h GLU 159 Cb 1.21 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 3ns2 h GLU 159 CO 0.64 0.64 0.17 1.49 -0.73 0.00 0.00 179.01 181.21 3ns2 h GLU 160 N 0.92 1.01 -0.06 1.92 4.81 -1.99 -0.62 114.58 120.57 3ns2 h GLU 160 Ca 0.25 -0.23 -0.22 0.00 -0.13 0.00 0.00 59.36 59.02 3ns2 h GLU 160 Cb -0.05 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.20 3ns2 h GLU 160 CO -0.05 0.90 -0.87 -0.44 -0.73 0.00 0.00 179.01 177.83 3ns2 h ASP 161 N 0.93 0.72 -0.27 1.04 3.32 -1.95 -0.29 116.42 119.92 3ns2 h ASP 161 Ca 0.20 -0.52 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 3ns2 h ASP 161 Cb 0.34 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3ns2 h ASP 161 CO -0.00 1.31 0.15 0.74 -1.72 0.00 0.00 179.24 179.72 3ns2 h THR 162 N 0.37 1.12 -0.74 0.35 2.02 -1.29 -0.49 112.91 114.24 3ns2 h THR 162 Ca -0.07 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 3ns2 h THR 162 Cb 1.49 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.71 3ns2 h THR 162 CO 0.16 0.12 0.40 0.50 0.37 0.00 0.00 175.52 177.08 3ns2 h LYS 163 N 0.32 1.04 -0.67 6.66 3.64 -1.08 -0.69 116.57 125.80 3ns2 h LYS 163 Ca 0.10 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3ns2 h LYS 163 Cb 0.06 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 3ns2 h LYS 163 CO -0.02 0.78 0.32 1.98 -2.27 0.00 0.00 179.45 180.25 3ns2 h MET 164 N 1.03 0.97 0.23 1.90 4.05 -0.71 0.17 114.93 122.56 3ns2 h MET 164 Ca 0.26 -0.14 -0.01 0.00 -0.28 0.00 0.00 59.70 59.53 3ns2 h MET 164 Cb 0.05 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 30.68 3ns2 h MET 164 CO -0.04 0.77 -0.11 0.35 0.23 0.00 0.00 176.91 178.11 3ns2 h PHE 165 N 0.94 -0.28 -0.49 1.39 3.57 -0.80 -1.77 116.94 119.49 3ns2 h PHE 165 Ca 0.23 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.61 3ns2 h PHE 165 Cb 0.12 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3ns2 h PHE 165 CO 0.00 -0.00 -0.16 0.28 -2.23 0.00 0.00 178.31 176.20 3ns2 h VAL 166 N -0.55 1.27 -0.59 1.41 2.07 -1.07 -1.97 116.25 116.81 3ns2 h VAL 166 Ca -0.03 -1.31 0.08 0.00 0.82 0.00 0.00 66.70 66.26 3ns2 h VAL 166 Cb 0.41 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 3ns2 h VAL 166 CO 0.05 0.45 0.26 0.44 0.02 0.00 0.00 177.57 178.79 3ns2 h ASP 167 N 0.84 0.31 -0.23 0.57 5.19 -0.67 -0.84 116.42 121.59 3ns2 h ASP 167 Ca 0.12 0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.59 3ns2 h ASP 167 Cb 0.72 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.23 3ns2 h ASP 167 CO 0.06 0.20 0.13 0.74 -3.12 0.00 0.00 179.24 177.24 3ns2 h THR 168 N 0.47 1.10 -0.35 0.35 2.02 -0.89 -0.58 112.91 115.04 3ns2 h THR 168 Ca 0.29 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 3ns2 h THR 168 Cb 0.29 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3ns2 h THR 168 CO -0.25 0.10 0.07 0.58 0.37 0.00 0.00 175.52 176.39 3ns2 h VAL 169 N 0.27 1.23 -0.45 3.16 2.07 -1.03 -0.29 116.25 121.21 3ns2 h VAL 169 Ca 0.08 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 3ns2 h VAL 169 Cb 0.05 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3ns2 h VAL 169 CO -0.01 0.27 0.28 0.58 0.02 0.00 0.00 177.57 178.70 3ns2 h VAL 170 N 0.41 1.14 -0.60 2.57 2.07 -1.10 -0.75 116.25 119.98 3ns2 h VAL 170 Ca 0.11 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3ns2 h VAL 170 Cb 0.33 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3ns2 h VAL 170 CO 0.00 0.14 0.35 0.50 0.02 0.00 0.00 177.57 178.58 3ns2 h LYS 171 N 0.60 0.83 -0.77 1.57 1.63 -0.91 -0.73 116.57 118.78 3ns2 h LYS 171 Ca 0.16 -0.09 -0.04 0.00 -0.85 0.00 0.00 60.65 59.84 3ns2 h LYS 171 Cb -0.02 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.41 3ns2 h LYS 171 CO -0.03 0.62 0.34 -0.07 -3.45 0.00 0.00 179.45 176.86 3ns2 h LEU 172 N 0.82 1.03 -0.80 5.20 3.38 -0.75 -0.28 115.31 123.91 3ns2 h LEU 172 Ca 0.21 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3ns2 h LEU 172 Cb 0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3ns2 h LEU 172 CO -0.04 0.89 0.07 0.78 0.09 0.00 0.00 178.44 180.23 3ns2 h ASN 173 N 1.11 0.92 0.18 -0.43 2.35 -0.72 -1.18 115.58 117.81 3ns2 h ASN 173 Ca 0.26 -0.22 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 3ns2 h ASN 173 Cb 0.16 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3ns2 h ASN 173 CO -0.03 0.95 -0.36 -0.07 -1.65 0.00 0.00 177.43 176.27 3ns2 h LEU 174 N 0.90 0.26 -0.94 1.61 3.38 -0.35 0.14 115.31 120.31 3ns2 h LEU 174 Ca 0.18 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 3ns2 h LEU 174 Cb 0.44 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3ns2 h LEU 174 CO 0.01 0.60 -0.18 1.56 0.09 0.00 0.00 178.44 180.53 3ns2 h GLN 175 N 0.22 0.57 -0.20 1.13 4.20 -0.66 -0.58 115.11 119.79 3ns2 h GLN 175 Ca 0.02 -0.20 -0.19 0.00 0.06 0.00 0.00 58.65 58.35 3ns2 h GLN 175 Cb 0.74 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.47 3ns2 h GLN 175 CO 0.06 0.73 -0.63 -0.22 -0.67 0.00 0.00 178.83 178.09 3ns2 h LYS 176 N 0.52 0.71 -0.59 1.46 3.64 -0.42 -1.14 116.57 120.75 3ns2 h LYS 176 Ca 0.08 -0.50 0.03 0.00 -1.27 0.00 0.00 60.65 59.00 3ns2 h LYS 176 Cb 0.60 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.46 3ns2 h LYS 176 CO 0.04 1.12 0.34 1.25 -2.27 0.00 0.00 179.45 179.93 3ns2 h LEU 177 N 0.52 0.55 -0.35 5.20 5.85 -0.85 -0.66 115.31 125.57 3ns2 h LEU 177 Ca -0.01 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.78 3ns2 h LEU 177 Cb 1.22 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 3ns2 h LEU 177 CO 0.13 0.38 0.04 1.23 -0.34 0.00 0.00 178.44 179.87 3ns2 h GLY 178 N 0.67 0.38 0.96 3.75 0.00 -0.69 -0.15 103.07 107.98 3ns2 h GLY 178 Ca 0.24 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.59 3ns2 h GLY 178 CO -0.12 -0.05 0.28 -2.08 0.00 0.00 0.00 176.54 174.57 3ns2 h VAL 179 N 0.15 1.09 -0.47 4.60 2.07 -0.79 -0.50 116.25 122.39 3ns2 h VAL 179 Ca 0.17 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.51 3ns2 h VAL 179 Cb 0.21 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3ns2 h VAL 179 CO -0.25 0.11 0.27 0.00 0.02 0.00 0.00 177.57 177.72 3ns2 h ALA 180 N 1.18 0.60 0.00 1.67 0.00 -0.75 -0.31 119.26 121.66 3ns2 h ALA 180 Ca 0.17 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 3ns2 h ALA 180 Cb -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3ns2 h ALA 180 CO -0.05 -0.04 -0.51 0.00 0.00 0.00 0.00 179.25 178.65 3ns2 h ALA 181 N 1.22 1.12 0.00 0.00 0.00 -0.71 -1.16 119.26 119.73 3ns2 h ALA 181 Ca 0.19 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ns2 h ALA 181 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ns2 h ALA 181 CO -0.10 0.64 -0.98 0.25 0.00 0.00 0.00 179.25 179.06 3ns2 n THR 182 N -3.88 0.26 -0.61 0.00 -2.24 -0.22 -4.71 114.28 102.87 3ns2 n THR 182 Ca -0.01 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3ns2 n THR 182 Cb 0.53 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 3ns2 n THR 182 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3ns2 n SER 183 N -2.09 0.00 -4.83 3.42 3.41 -0.15 -5.08 113.62 108.30 3ns2 n SER 183 Ca 0.02 -0.36 -0.25 0.00 -0.26 0.00 0.00 58.87 58.02 3ns2 n SER 183 Cb 0.46 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 3ns2 n SER 183 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ns2 s ALA 184 N 0.00 3.64 0.67 7.33 0.00 -0.44 -5.02 121.76 127.93 3ns2 s ALA 184 Ca 0.00 -1.24 -0.17 0.00 0.00 0.00 0.00 51.96 50.55 3ns2 s ALA 184 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.70 3ns2 s ALA 184 CO 0.00 0.44 1.26 -2.14 0.00 0.00 0.00 175.76 175.33 3ns2 s PRO 185 N -3.31 2.47 0.77 0.00 0.02 -1.26 -4.81 135.00 128.87 3ns2 s PRO 185 Ca 0.32 1.97 -0.11 0.00 0.02 0.00 0.00 61.00 63.19 3ns2 s PRO 185 Cb -0.10 -1.85 0.06 0.00 0.02 0.00 0.00 34.50 32.63 3ns2 s PRO 185 CO 0.25 -1.64 1.09 -1.64 -0.33 0.00 0.00 177.00 174.73 3ns2 s MET 186 N -3.51 2.27 0.54 5.54 -1.94 -1.26 -5.03 119.30 115.90 3ns2 s MET 186 Ca 0.80 0.75 -0.03 0.00 -1.71 0.00 0.00 55.69 55.50 3ns2 s MET 186 Cb -0.35 -1.93 0.01 0.00 2.01 0.00 0.00 34.83 34.57 3ns2 s MET 186 CO 0.40 -1.52 0.80 -1.01 -0.01 0.00 0.00 175.02 173.69 3ns2 s HIS 187 N -3.11 3.20 0.00 -0.03 3.76 -1.26 -5.22 115.29 112.64 3ns2 s HIS 187 Ca 0.60 0.43 0.00 0.00 -0.15 0.00 0.00 55.06 55.94 3ns2 s HIS 187 Cb -0.15 -2.58 0.00 0.00 1.11 0.00 0.00 32.58 30.96 3ns2 s HIS 187 CO 0.55 -0.66 0.00 -0.40 -0.85 0.00 0.00 174.74 173.38