#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 2.10 3.80 2.58 0.00 -1.26 -4.87 105.19 107.54 3ns2 n GLY 9 Ca 0.00 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.09 4.00 0.91 0.99 1.43 -1.26 -5.06 118.68 119.61 3ns2 s LEU 10 Ca 0.02 1.82 -0.12 0.00 -1.03 0.00 0.00 54.13 54.81 3ns2 s LEU 10 Cb 0.01 -4.42 0.14 0.00 0.03 0.00 0.00 46.19 41.95 3ns2 s LEU 10 CO 0.00 -0.45 1.13 0.42 0.23 0.00 0.00 176.35 177.69 3ns2 s THR 11 N -1.98 2.04 0.19 5.49 -4.23 -1.26 -4.83 115.64 111.06 3ns2 s THR 11 Ca 0.61 0.01 -0.11 0.00 -1.18 0.00 0.00 61.69 61.03 3ns2 s THR 11 Cb -0.14 -2.74 0.11 0.00 1.34 0.00 0.00 72.50 71.06 3ns2 s THR 11 CO 0.18 -0.02 1.76 0.44 -0.54 0.00 0.00 174.62 176.45 3ns2 h ASP 12 N -1.51 0.90 -0.45 3.99 3.32 -1.99 -1.00 116.42 119.68 3ns2 h ASP 12 Ca -0.51 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.34 3ns2 h ASP 12 Cb 1.33 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 3ns2 h ASP 12 CO 0.62 0.80 0.09 -0.08 -1.72 0.00 0.00 179.24 178.95 3ns2 h GLU 13 N 0.94 0.74 -0.62 3.56 4.57 -1.99 -1.09 114.58 120.68 3ns2 h GLU 13 Ca 0.23 -0.19 0.01 0.00 -1.18 0.00 0.00 59.36 58.23 3ns2 h GLU 13 Cb 0.16 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 3ns2 h GLU 13 CO -0.02 0.75 0.40 0.93 -1.18 0.00 0.00 179.01 179.89 3ns2 h GLU 14 N 0.61 0.78 -0.46 1.92 5.08 -1.90 -1.33 114.58 119.30 3ns2 h GLU 14 Ca 0.14 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3ns2 h GLU 14 Cb 0.36 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3ns2 h GLU 14 CO 0.01 0.52 0.28 1.96 -1.00 0.00 0.00 179.01 180.77 3ns2 h GLN 15 N 0.81 0.62 -0.65 2.33 4.20 -0.91 0.76 115.11 122.26 3ns2 h GLN 15 Ca 0.24 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 3ns2 h GLN 15 Cb -0.05 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 3ns2 h GLN 15 CO -0.07 0.46 0.34 -0.22 -0.67 0.00 0.00 178.83 178.66 3ns2 h LYS 16 N 0.61 0.93 -0.29 1.46 3.64 -1.02 -1.67 116.57 120.23 3ns2 h LYS 16 Ca 0.16 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 3ns2 h LYS 16 Cb -0.01 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 3ns2 h LYS 16 CO -0.03 0.72 -0.22 1.15 -2.27 0.00 0.00 179.45 178.80 3ns2 h THR 17 N 0.90 1.26 -0.00 1.00 2.02 -0.84 -3.09 112.91 114.16 3ns2 h THR 17 Ca 0.23 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 66.17 3ns2 h THR 17 Cb 0.08 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 3ns2 h THR 17 CO -0.03 0.40 -0.27 0.18 0.37 0.00 0.00 175.52 176.17 3ns2 n LEU 18 N -4.13 0.76 -0.07 2.58 4.77 0.22 -4.28 117.00 116.85 3ns2 n LEU 18 Ca -0.00 -0.12 -0.07 0.00 -0.03 0.00 0.00 56.01 55.79 3ns2 n LEU 18 Cb 0.40 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.30 3ns2 n LEU 18 CO 0.42 0.15 0.76 -0.08 -1.33 0.00 0.00 177.39 177.32 3ns2 h GLU 19 N 0.77 -0.10 0.00 3.23 4.81 -1.22 0.35 114.58 122.43 3ns2 h GLU 19 Ca 0.00 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3ns2 h GLU 19 Cb 0.48 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3ns2 h GLU 19 CO 0.00 -0.06 -0.20 -1.00 -0.73 0.00 0.00 179.01 177.02 3ns2 h PRO 20 N -0.10 0.00 -0.08 0.92 0.13 -1.80 0.31 132.00 131.38 3ns2 h PRO 20 Ca 0.15 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.23 3ns2 h PRO 20 Cb 0.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.46 3ns2 h PRO 20 CO -0.35 0.20 -0.15 0.28 -0.23 0.00 0.00 178.00 177.75 3ns2 h VAL 21 N 0.00 1.41 -0.36 1.56 2.07 -1.54 -1.93 116.25 117.47 3ns2 h VAL 21 Ca -0.00 -1.45 0.02 0.00 0.82 0.00 0.00 66.70 66.08 3ns2 h VAL 21 Cb 0.52 2.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 3ns2 h VAL 21 CO 0.03 0.41 0.21 0.40 0.02 0.00 0.00 177.57 178.63 3ns2 h ILE 22 N -0.24 1.03 -0.00 4.57 2.04 -0.62 -1.35 117.51 122.94 3ns2 h ILE 22 Ca 0.00 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3ns2 h ILE 22 Cb 0.74 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3ns2 h ILE 22 CO 0.03 0.08 0.00 0.29 0.00 0.00 0.00 178.15 178.55 3ns2 n LYS 23 N -4.89 1.05 -0.10 2.37 5.02 0.07 -1.56 118.16 120.12 3ns2 n LYS 23 Ca 0.00 -0.08 -0.16 0.00 -2.02 0.00 0.00 58.31 56.05 3ns2 n LYS 23 Cb 0.06 -1.47 -0.08 0.00 -0.02 0.00 0.00 35.03 33.51 3ns2 n LYS 23 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3ns2 n THR 24 N -0.88 1.11 -0.02 -0.18 -1.04 -0.73 -4.87 114.28 107.67 3ns2 n THR 24 Ca 0.22 -0.38 -0.00 0.00 -2.04 0.00 0.00 64.05 61.85 3ns2 n THR 24 Cb 0.12 -1.37 -0.07 0.00 -1.82 0.00 0.00 70.33 67.20 3ns2 n THR 24 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3ns2 n TYR 25 N -3.33 0.00 -0.02 -1.42 4.01 -0.53 -4.87 117.16 110.98 3ns2 n TYR 25 Ca -0.36 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.43 3ns2 n TYR 25 Cb 0.84 -0.31 -0.14 0.00 -0.31 0.00 0.00 39.34 39.42 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 -2.08 0.00 -3.02 -0.72 8.25 -0.60 -4.92 115.22 112.13 3ns2 n HIS 26 Ca -0.08 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.97 3ns2 n HIS 26 Cb 0.53 -0.51 -0.05 0.00 1.12 0.00 0.00 29.99 31.08 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 -3.10 4.29 0.22 -0.41 -0.21 -1.22 -4.79 119.66 114.45 3ns2 s GLN 27 Ca -0.07 0.82 -0.01 0.00 0.02 0.00 0.00 55.36 56.12 3ns2 s GLN 27 Cb 0.10 -3.55 -0.04 0.00 1.00 0.00 0.00 33.01 30.52 3ns2 s GLN 27 CO 0.75 -0.21 0.42 -0.06 -2.12 0.00 0.00 175.29 174.08 3ns2 s PHE 28 N 1.76 3.48 0.24 0.91 0.08 -1.26 -5.08 117.98 118.11 3ns2 s PHE 28 Ca 0.34 0.37 -0.30 0.00 0.12 0.00 0.00 56.93 57.47 3ns2 s PHE 28 Cb -0.16 -1.88 -0.09 0.00 -0.57 0.00 0.00 43.02 40.32 3ns2 s PHE 28 CO 0.13 0.34 1.15 -1.21 -0.10 0.00 0.00 175.22 175.52 3ns2 s GLU 29 N -3.44 4.56 0.48 0.44 2.02 -1.26 -5.00 118.70 116.50 3ns2 s GLU 29 Ca 0.39 1.85 -0.23 0.00 0.02 0.00 0.00 54.97 57.00 3ns2 s GLU 29 Cb -0.11 -3.21 -0.07 0.00 0.10 0.00 0.00 34.13 30.85 3ns2 s GLU 29 CO 0.30 0.07 1.30 -2.14 0.02 0.00 0.00 175.26 174.80 3ns2 s PRO 30 N -0.96 3.55 -0.24 0.39 0.02 -1.26 -5.02 135.00 131.48 3ns2 s PRO 30 Ca 0.48 2.10 -0.15 0.00 0.02 0.00 0.00 61.00 63.46 3ns2 s PRO 30 Cb -0.33 -2.45 0.07 0.00 0.02 0.00 0.00 34.50 31.82 3ns2 s PRO 30 CO 0.40 -0.82 0.60 0.34 -0.33 0.00 0.00 177.00 177.19 3ns2 s ASP 31 N -0.98 -0.78 0.64 2.53 -1.08 -1.26 -5.02 116.67 110.72 3ns2 s ASP 31 Ca 0.65 1.29 0.37 0.00 -0.52 0.00 0.00 52.55 54.34 3ns2 s ASP 31 Cb -0.37 1.19 2.08 0.00 -1.46 0.00 0.00 42.92 44.36 3ns2 s ASP 31 CO 0.45 -0.22 2.25 -0.65 0.52 0.00 0.00 175.17 177.52 3ns2 h PRO 32 N 6.76 0.00 -0.01 4.34 0.11 -2.03 -1.34 132.00 139.83 3ns2 h PRO 32 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3ns2 h PRO 32 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3ns2 h PRO 32 CO 0.19 0.00 -0.39 0.25 -0.21 0.00 0.00 178.00 177.84 3ns2 n THR 33 N -3.37 0.00 -4.48 -1.15 -2.24 -1.26 -4.94 114.28 96.85 3ns2 n THR 33 Ca -0.02 -0.17 -0.24 0.00 -2.27 0.00 0.00 64.05 61.35 3ns2 n THR 33 Cb 0.15 0.79 -0.10 0.00 -2.10 0.00 0.00 70.33 69.06 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 -2.53 2.26 0.03 4.28 -4.23 -0.50 -1.12 115.64 113.82 3ns2 s THR 34 Ca 0.21 -2.30 0.07 0.00 -1.18 0.00 0.00 61.69 58.48 3ns2 s THR 34 Cb 0.19 -2.39 -0.02 0.00 1.34 0.00 0.00 72.50 71.61 3ns2 s THR 34 CO 0.56 -0.35 -0.20 0.00 -0.54 0.00 0.00 174.62 174.10 3ns2 s THR 36 N -0.70 0.86 0.08 0.00 -1.32 -1.26 -1.53 115.64 111.78 3ns2 s THR 36 Ca 0.07 -1.08 -0.19 0.00 -1.21 0.00 0.00 61.69 59.28 3ns2 s THR 36 Cb -0.08 -0.84 0.04 0.00 -1.51 0.00 0.00 72.50 70.11 3ns2 s THR 36 CO 0.01 -0.20 0.46 -0.55 -2.21 0.00 0.00 174.62 172.12 3ns2 s SER 37 N -1.43 -0.34 -0.13 8.08 0.15 -0.92 -5.00 113.70 114.11 3ns2 s SER 37 Ca -0.04 -0.04 0.02 0.00 0.70 0.00 0.00 55.95 56.59 3ns2 s SER 37 Cb -0.09 0.47 0.01 0.00 -1.71 0.00 0.00 66.02 64.71 3ns2 s SER 37 CO 0.01 -0.76 -0.21 -0.22 1.20 0.00 0.00 173.24 173.26 3ns2 s LEU 38 N -2.29 2.02 -0.01 3.45 2.96 -1.26 -1.82 118.68 121.73 3ns2 s LEU 38 Ca -0.02 -0.56 0.05 0.00 -0.22 0.00 0.00 54.13 53.37 3ns2 s LEU 38 Cb 0.00 -1.37 -0.03 0.00 0.50 0.00 0.00 46.19 45.30 3ns2 s LEU 38 CO -0.06 0.07 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.26 3ns2 s ILE 39 N 0.84 3.01 0.15 6.68 -1.09 0.34 -4.74 121.20 126.39 3ns2 s ILE 39 Ca -0.07 -0.91 0.09 0.00 -2.23 0.00 0.00 60.65 57.53 3ns2 s ILE 39 Cb -0.15 -2.23 -0.04 0.00 -1.58 0.00 0.00 42.46 38.46 3ns2 s ILE 39 CO -0.02 0.47 -0.20 0.42 -1.23 0.00 0.00 174.94 174.38 3ns2 s THR 40 N -0.83 1.92 -0.14 2.92 -4.23 -1.26 -1.03 115.64 112.98 3ns2 s THR 40 Ca 0.13 -1.85 -0.06 0.00 -1.18 0.00 0.00 61.69 58.74 3ns2 s THR 40 Cb -0.11 -1.84 0.06 0.00 1.34 0.00 0.00 72.50 71.96 3ns2 s THR 40 CO 0.03 -0.20 0.30 -1.58 -0.54 0.00 0.00 174.62 172.63 3ns2 s GLN 41 N -2.54 0.22 -0.08 3.99 2.00 -0.30 -4.70 119.66 118.25 3ns2 s GLN 41 Ca 0.15 0.74 -0.21 0.00 -2.00 0.00 0.00 55.36 54.03 3ns2 s GLN 41 Cb -0.07 -0.00 -0.04 0.00 0.80 0.00 0.00 33.01 33.69 3ns2 s GLN 41 CO 0.07 -0.23 0.62 0.50 -0.50 0.00 0.00 175.29 175.75 3ns2 s ARG 42 N 1.99 4.40 -0.09 1.67 3.52 -1.26 -0.54 118.95 128.63 3ns2 s ARG 42 Ca -0.04 0.73 0.02 0.00 -0.13 0.00 0.00 55.73 56.31 3ns2 s ARG 42 Cb -0.11 -3.44 0.02 0.00 -1.56 0.00 0.00 34.95 29.86 3ns2 s ARG 42 CO -0.10 0.12 -0.13 0.42 -0.81 0.00 0.00 175.30 174.80 3ns2 s ILE 43 N 0.67 1.28 -1.36 4.11 1.01 0.82 -4.99 121.20 122.73 3ns2 s ILE 43 Ca 0.33 -0.52 -0.10 0.00 0.00 0.00 0.00 60.65 60.36 3ns2 s ILE 43 Cb -0.17 -1.19 0.11 0.00 0.01 0.00 0.00 42.46 41.22 3ns2 s ILE 43 CO 0.15 0.40 2.13 1.41 0.00 0.00 0.00 174.94 179.03 3ns2 n HIS 44 N 4.18 2.98 -3.66 3.97 8.25 -1.26 -0.53 115.22 129.15 3ns2 n HIS 44 Ca -0.19 -2.86 -0.11 0.00 -0.26 0.00 0.00 57.72 54.29 3ns2 n HIS 44 Cb 0.51 -2.13 -0.05 0.00 1.12 0.00 0.00 29.99 29.44 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 1.00 -0.93 0.58 -1.41 0.00 -1.26 -4.78 121.76 114.96 3ns2 s ALA 45 Ca 0.46 0.08 -0.18 0.00 0.00 0.00 0.00 51.96 52.32 3ns2 s ALA 45 Cb 0.13 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 3ns2 s ALA 45 CO -0.04 -0.55 1.13 -2.14 0.00 0.00 0.00 175.76 174.15 3ns2 s PRO 46 N -3.22 3.18 0.54 0.00 0.02 -1.26 -3.08 135.00 131.18 3ns2 s PRO 46 Ca -0.01 1.55 0.20 0.00 0.02 0.00 0.00 61.00 62.76 3ns2 s PRO 46 Cb 0.01 -1.99 1.42 0.00 0.02 0.00 0.00 34.50 33.96 3ns2 s PRO 46 CO -0.08 -0.98 2.17 0.00 -0.33 0.00 0.00 177.00 177.78 3ns2 h ALA 47 N 0.83 1.90 0.00 -1.55 0.00 -1.92 -1.21 119.26 117.32 3ns2 h ALA 47 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3ns2 h ALA 47 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3ns2 h ALA 47 CO 0.56 -0.03 0.00 0.43 0.00 0.00 0.00 179.25 180.21 3ns2 n SER 48 N -4.35 0.45 -0.05 0.00 7.64 -1.26 -0.73 113.62 115.31 3ns2 n SER 48 Ca -0.02 0.60 -0.17 0.00 1.01 0.00 0.00 58.87 60.28 3ns2 n SER 48 Cb 0.11 -0.70 -0.14 0.00 -1.01 0.00 0.00 64.21 62.47 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 -1.99 1.62 -0.06 0.44 0.31 -0.49 -4.45 118.33 113.72 3ns2 n VAL 49 Ca 0.03 -0.67 -0.14 0.00 -0.01 0.00 0.00 64.34 63.56 3ns2 n VAL 49 Cb 0.24 -1.40 -0.07 0.00 -0.91 0.00 0.00 33.84 31.70 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 1.34 -0.61 2.52 2.07 -1.18 -3.36 116.25 117.07 3ns2 h VAL 50 Ca -0.47 -1.43 0.02 0.00 0.82 0.00 0.00 66.70 65.64 3ns2 h VAL 50 Cb 2.01 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 33.61 3ns2 h VAL 50 CO 0.02 0.43 0.38 -0.25 0.02 0.00 0.00 177.57 178.18 3ns2 h TRP 51 N 0.11 0.72 -0.28 1.57 2.91 -1.15 -2.25 115.95 117.58 3ns2 h TRP 51 Ca 0.02 0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.12 3ns2 h TRP 51 Cb 0.79 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 29.19 3ns2 h TRP 51 CO 0.09 0.42 0.20 -1.35 -1.03 0.00 0.00 178.44 176.77 3ns2 h PRO 52 N 0.76 0.09 -0.55 2.65 0.11 -1.78 0.13 132.00 133.41 3ns2 h PRO 52 Ca 0.24 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.29 3ns2 h PRO 52 Cb -0.02 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.05 3ns2 h PRO 52 CO -0.08 0.06 0.13 -0.07 -0.21 0.00 0.00 178.00 177.82 3ns2 h LEU 53 N 0.09 0.78 0.19 2.35 3.38 -1.58 -1.99 115.31 118.54 3ns2 h LEU 53 Ca 0.13 -0.14 -0.31 0.00 0.09 0.00 0.00 57.88 57.64 3ns2 h LEU 53 Cb 0.40 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 40.97 3ns2 h LEU 53 CO -0.01 0.77 -1.42 0.40 0.09 0.00 0.00 178.44 178.27 3ns2 h ILE 54 N 0.81 1.33 0.00 1.22 2.04 -1.18 -3.34 117.51 118.38 3ns2 h ILE 54 Ca 0.18 -2.83 -0.06 0.00 1.00 0.00 0.00 64.86 63.14 3ns2 h ILE 54 Cb 0.30 2.97 -0.01 0.00 -0.74 0.00 0.00 36.82 39.34 3ns2 h ILE 54 CO -0.00 0.85 -0.30 -0.09 0.00 0.00 0.00 178.15 178.60 3ns2 h ARG 55 N 0.11 0.00 -5.89 2.37 9.65 -0.67 -3.38 114.38 116.57 3ns2 h ARG 55 Ca -0.22 0.00 -0.48 0.00 -1.10 0.00 0.00 59.98 58.18 3ns2 h ARG 55 Cb 2.08 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 30.59 3ns2 h ARG 55 CO 0.23 0.30 1.30 0.50 2.80 0.00 0.00 179.97 185.11 3ns2 s ARG 56 N -3.74 3.20 0.52 0.20 6.06 -0.76 -4.81 118.95 119.61 3ns2 s ARG 56 Ca -0.00 -0.97 0.18 0.00 -2.50 0.00 0.00 55.73 52.43 3ns2 s ARG 56 Cb 0.11 -5.28 1.29 0.00 0.06 0.00 0.00 34.95 31.14 3ns2 s ARG 56 CO 0.66 -2.77 2.13 0.35 -2.50 0.00 0.00 175.30 173.18 3ns2 h PHE 57 N 9.98 0.00 -0.14 5.12 3.57 -1.90 -2.08 116.94 131.50 3ns2 h PHE 57 Ca 0.20 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3ns2 h PHE 57 Cb 0.98 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.72 3ns2 h PHE 57 CO 1.27 0.04 0.00 -0.40 -2.23 0.00 0.00 178.31 176.99 3ns2 n ASP 58 N -4.39 1.20 -2.57 0.41 3.85 -1.26 -4.25 116.55 109.54 3ns2 n ASP 58 Ca -0.03 -1.68 -0.15 0.00 -0.71 0.00 0.00 54.79 52.22 3ns2 n ASP 58 Cb 0.12 -0.09 0.02 0.00 -1.35 0.00 0.00 41.12 39.83 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 0.03 2.82 0.29 -1.12 4.05 -0.78 -4.43 115.26 116.13 3ns2 n ASN 59 Ca 0.14 -3.04 0.18 0.00 0.45 0.00 0.00 54.58 52.32 3ns2 n ASN 59 Cb 0.25 -0.48 0.83 0.00 1.23 0.00 0.00 39.78 41.60 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 2.74 0.00 0.00 1.20 0.13 -1.74 -2.49 132.00 131.84 3ns2 h PRO 60 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3ns2 h PRO 60 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3ns2 h PRO 60 CO 0.59 0.02 0.00 1.05 -0.23 0.00 0.00 178.00 179.44 3ns2 h GLU 61 N 0.00 0.00 -0.54 0.86 9.09 -1.86 0.27 114.58 122.40 3ns2 h GLU 61 Ca -0.00 0.00 0.05 0.00 0.05 0.00 0.00 59.36 59.46 3ns2 h GLU 61 Cb 0.37 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.44 3ns2 h GLU 61 CO 0.00 0.00 0.36 -0.09 0.05 0.00 0.00 179.01 179.33 3ns2 h ARG 62 N 0.00 0.53 0.00 1.06 9.65 -1.83 -3.33 114.38 120.47 3ns2 h ARG 62 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3ns2 h ARG 62 Cb 0.16 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 3ns2 h ARG 62 CO 0.00 0.35 0.00 2.48 2.80 0.00 0.00 179.97 185.60 3ns2 n TYR 63 N -4.47 0.00 -3.65 2.20 0.18 -0.64 -4.85 117.16 105.92 3ns2 n TYR 63 Ca 0.07 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.48 3ns2 n TYR 63 Cb 0.20 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.09 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 -0.49 3.93 0.58 -3.48 1.02 -0.01 -4.29 119.74 117.01 3ns2 s LYS 64 Ca 0.00 0.06 -0.09 0.00 0.02 0.00 0.00 55.97 55.96 3ns2 s LYS 64 Cb 0.00 -3.31 -0.03 0.00 -0.52 0.00 0.00 37.83 33.97 3ns2 s LYS 64 CO 0.00 0.51 0.96 -1.01 -0.92 0.00 0.00 175.35 174.89 3ns2 s HIS 65 N -0.34 3.58 0.00 3.18 3.76 -1.26 -3.90 115.29 120.31 3ns2 s HIS 65 Ca 0.17 1.12 0.00 0.00 -0.15 0.00 0.00 55.06 56.19 3ns2 s HIS 65 Cb -0.13 -2.62 0.00 0.00 1.11 0.00 0.00 32.58 30.94 3ns2 s HIS 65 CO 0.05 -0.60 0.00 1.19 -0.85 0.00 0.00 174.74 174.53 3ns2 n PHE 66 N -2.62 0.00 -3.27 1.40 3.72 -1.26 -4.94 117.46 110.49 3ns2 n PHE 66 Ca 0.04 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.01 3ns2 n PHE 66 Cb 0.55 -0.77 -0.08 0.00 -0.94 0.00 0.00 39.48 38.24 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 -2.46 5.03 -0.10 -4.37 1.01 -1.25 0.02 120.40 118.28 3ns2 s VAL 67 Ca 0.00 -0.27 -0.25 0.00 0.00 0.00 0.00 61.98 61.47 3ns2 s VAL 67 Cb 0.00 -4.08 -0.21 0.00 0.00 0.00 0.00 36.38 32.08 3ns2 s VAL 67 CO 0.00 -0.47 0.80 0.50 0.00 0.00 0.00 175.10 175.92 3ns2 h LYS 68 N 8.77 -0.03 -3.76 2.72 3.64 -0.84 -3.44 116.57 123.63 3ns2 h LYS 68 Ca -0.26 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.99 3ns2 h LYS 68 Cb 1.11 0.01 -0.19 0.00 -0.41 0.00 0.00 32.23 32.75 3ns2 h LYS 68 CO 0.82 0.72 -0.54 0.50 -2.27 0.00 0.00 179.45 178.68 3ns2 s ARG 69 N -2.66 0.54 -0.12 1.90 3.52 -1.17 -4.99 118.95 115.97 3ns2 s ARG 69 Ca -0.16 -0.67 -0.17 0.00 -0.13 0.00 0.00 55.73 54.60 3ns2 s ARG 69 Cb -0.01 0.21 0.04 0.00 -1.56 0.00 0.00 34.95 33.63 3ns2 s ARG 69 CO 0.60 -0.13 0.43 0.00 -0.81 0.00 0.00 175.30 175.39 3ns2 s ARG 71 N -0.29 0.94 0.11 0.00 1.70 -1.04 -4.87 118.95 115.50 3ns2 s ARG 71 Ca -0.04 -0.24 -0.30 0.00 -0.47 0.00 0.00 55.73 54.67 3ns2 s ARG 71 Cb -0.03 0.42 -0.06 0.00 -0.57 0.00 0.00 34.95 34.71 3ns2 s ARG 71 CO 0.02 -0.32 1.13 -0.51 -1.08 0.00 0.00 175.30 174.55 3ns2 s LEU 72 N -1.83 4.43 0.00 -1.89 1.43 -1.26 -0.91 118.68 118.64 3ns2 s LEU 72 Ca -0.07 2.02 0.16 0.00 -1.03 0.00 0.00 54.13 55.21 3ns2 s LEU 72 Cb -0.01 -3.59 -0.14 0.00 0.03 0.00 0.00 46.19 42.48 3ns2 s LEU 72 CO -0.00 -0.33 0.73 2.30 0.23 0.00 0.00 176.35 179.28 3ns2 n ILE 73 N 3.19 0.00 -3.56 -0.59 -5.35 0.31 -4.89 119.36 108.46 3ns2 n ILE 73 Ca 0.06 -0.16 -0.17 0.00 -0.27 0.00 0.00 62.75 62.21 3ns2 n ILE 73 Cb 0.47 1.04 -0.06 0.00 -1.74 0.00 0.00 39.64 39.35 3ns2 n ILE 73 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3ns2 s SER 74 N -2.41 -0.69 0.00 7.28 1.04 -1.00 -4.96 113.70 112.96 3ns2 s SER 74 Ca 0.08 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.46 3ns2 s SER 74 Cb 0.13 0.84 0.00 0.00 0.10 0.00 0.00 66.02 67.09 3ns2 s SER 74 CO 0.62 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.96 3ns2 n GLY 75 N 1.49 -2.66 0.11 7.32 0.00 -1.26 -0.91 105.19 109.28 3ns2 n GLY 75 Ca -0.17 -1.67 0.01 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.42 0.83 0.00 1.61 8.00 -1.26 -4.92 116.55 120.39 3ns2 n ASP 76 Ca 0.00 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 53.77 3ns2 n ASP 76 Cb 0.00 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 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 -0.32 1.18 4.01 0.44 0.00 -1.26 -5.11 105.19 104.14 3ns2 n GLY 77 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.18 5.09 0.21 1.61 -0.00 -1.26 -4.87 116.67 116.27 3ns2 s ASP 78 Ca 0.00 -0.55 -0.32 0.00 -0.00 0.00 0.00 52.55 51.69 3ns2 s ASP 78 Cb 0.00 -0.13 -0.15 0.00 -0.00 0.00 0.00 42.92 42.65 3ns2 s ASP 78 CO 0.00 -1.30 1.23 0.52 -0.00 0.00 0.00 175.17 175.62 3ns2 n VAL 79 N -2.29 1.05 0.00 -1.27 0.31 -1.26 -1.22 118.33 113.65 3ns2 n VAL 79 Ca 0.13 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 3ns2 n VAL 79 Cb 0.61 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 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 1.96 2.68 3.76 2.92 0.00 0.16 -5.02 105.19 111.65 3ns2 n GLY 80 Ca 0.13 0.00 -0.38 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 -1.29 5.63 -0.10 1.61 0.01 -0.35 -4.73 113.70 114.48 3ns2 s SER 81 Ca 0.00 2.65 0.02 0.00 1.31 0.00 0.00 55.95 59.93 3ns2 s SER 81 Cb 0.00 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.61 3ns2 s SER 81 CO 0.00 -1.31 -0.16 -0.69 0.41 0.00 0.00 173.24 171.48 3ns2 s VAL 82 N -1.35 1.55 0.05 3.43 1.01 -0.08 -1.04 120.40 123.96 3ns2 s VAL 82 Ca 0.67 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 62.00 3ns2 s VAL 82 Cb -0.37 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3ns2 s VAL 82 CO 0.45 0.45 0.01 0.00 0.00 0.00 0.00 175.10 176.01 3ns2 s ARG 83 N 0.82 2.70 -0.19 2.72 1.70 -0.05 -0.53 118.95 126.11 3ns2 s ARG 83 Ca -0.10 -0.72 -0.05 0.00 -0.47 0.00 0.00 55.73 54.39 3ns2 s ARG 83 Cb -0.16 -2.63 -0.03 0.00 -0.57 0.00 0.00 34.95 31.57 3ns2 s ARG 83 CO 0.01 0.58 -0.00 -2.00 -1.08 0.00 0.00 175.30 172.81 3ns2 s GLU 84 N -2.00 3.64 -0.11 3.89 2.12 -0.09 -1.17 118.70 124.98 3ns2 s GLU 84 Ca 0.24 -0.51 0.01 0.00 0.36 0.00 0.00 54.97 55.06 3ns2 s GLU 84 Cb -0.12 -3.06 -0.02 0.00 0.26 0.00 0.00 34.13 31.19 3ns2 s GLU 84 CO 0.15 0.05 -0.15 0.08 -0.54 0.00 0.00 175.26 174.86 3ns2 s VAL 85 N 0.90 2.94 -0.26 3.70 1.01 0.31 -2.49 120.40 126.51 3ns2 s VAL 85 Ca 0.01 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 3ns2 s VAL 85 Cb -0.14 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 3ns2 s VAL 85 CO 0.02 0.54 0.19 -0.89 0.00 0.00 0.00 175.10 174.96 3ns2 s THR 86 N 0.10 5.32 -0.05 3.92 2.01 -0.45 -1.04 115.64 125.45 3ns2 s THR 86 Ca -0.07 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.17 3ns2 s THR 86 Cb -0.15 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 3ns2 s THR 86 CO 0.05 0.29 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.49 3ns2 s VAL 87 N 1.41 3.55 -0.06 3.82 1.01 -0.39 -0.08 120.40 129.65 3ns2 s VAL 87 Ca 0.08 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 3ns2 s VAL 87 Cb -0.15 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 3ns2 s VAL 87 CO 0.08 0.56 0.08 -0.51 0.00 0.00 0.00 175.10 175.30 3ns2 s ILE 88 N -0.83 4.87 0.00 2.22 1.10 0.10 -2.64 121.20 126.02 3ns2 s ILE 88 Ca 0.13 -0.16 0.00 0.00 -0.51 0.00 0.00 60.65 60.11 3ns2 s ILE 88 Cb -0.11 -3.14 0.00 0.00 0.15 0.00 0.00 42.46 39.36 3ns2 s ILE 88 CO 0.02 0.51 0.00 -1.54 -2.11 0.00 0.00 174.94 171.82 3ns2 n SER 89 N 1.71 0.00 0.28 4.50 3.41 -1.26 -4.79 113.62 117.46 3ns2 n SER 89 Ca -0.17 -0.77 0.17 0.00 -0.26 0.00 0.00 58.87 57.84 3ns2 n SER 89 Cb 0.54 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 65.16 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 -1.98 5.00 0.00 -2.04 -3.44 103.07 100.62 3ns2 h GLY 90 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 3ns2 h GLY 90 CO 0.00 0.00 -0.07 1.08 0.00 0.00 0.00 176.54 177.55 3ns2 s LEU 91 N -6.22 3.39 0.61 3.11 1.43 -1.26 -5.05 118.68 114.69 3ns2 s LEU 91 Ca 0.01 0.01 -0.18 0.00 -1.03 0.00 0.00 54.13 52.95 3ns2 s LEU 91 Cb 0.09 -2.91 -0.05 0.00 0.03 0.00 0.00 46.19 43.35 3ns2 s LEU 91 CO 0.55 -1.01 0.88 -2.65 0.23 0.00 0.00 176.35 174.35 3ns2 n PRO 92 N -2.24 0.78 -1.69 1.29 -0.02 -1.26 -4.85 135.00 127.00 3ns2 n PRO 92 Ca 0.06 0.31 -0.44 0.00 -2.02 0.00 0.00 63.50 61.41 3ns2 n PRO 92 Cb 0.59 -2.09 -0.02 0.00 -0.02 0.00 0.00 33.50 31.96 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 -1.83 1.55 -2.50 3.55 0.00 -1.26 -4.78 120.51 115.24 3ns2 n ALA 93 Ca 0.14 0.40 -0.25 0.00 0.00 0.00 0.00 53.44 53.72 3ns2 n ALA 93 Cb 0.48 -2.33 -0.13 0.00 0.00 0.00 0.00 19.45 17.47 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 0.31 2.64 -0.08 0.00 1.04 -1.08 -4.97 113.70 111.56 3ns2 s SER 94 Ca 0.66 -0.65 -0.04 0.00 0.48 0.00 0.00 55.95 56.40 3ns2 s SER 94 Cb -0.60 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.31 3ns2 s SER 94 CO 0.50 0.11 0.10 -0.89 0.98 0.00 0.00 173.24 174.04 3ns2 s THR 95 N -1.05 5.10 0.08 2.02 2.01 -1.26 -1.27 115.64 121.28 3ns2 s THR 95 Ca 0.08 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.05 3ns2 s THR 95 Cb -0.10 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 3ns2 s THR 95 CO 0.04 0.53 -0.08 -0.55 -0.69 0.00 0.00 174.62 173.87 3ns2 s SER 96 N -1.24 1.11 -0.00 3.53 0.15 -0.20 -2.20 113.70 114.85 3ns2 s SER 96 Ca 0.18 -0.83 0.07 0.00 0.70 0.00 0.00 55.95 56.06 3ns2 s SER 96 Cb -0.12 0.06 -0.02 0.00 -1.71 0.00 0.00 66.02 64.23 3ns2 s SER 96 CO 0.07 -0.35 -0.22 0.42 1.20 0.00 0.00 173.24 174.37 3ns2 s THR 97 N -2.72 1.71 -0.02 6.45 -4.23 -0.36 -0.53 115.64 115.95 3ns2 s THR 97 Ca 0.04 -0.99 0.02 0.00 -1.18 0.00 0.00 61.69 59.59 3ns2 s THR 97 Cb -0.01 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.40 3ns2 s THR 97 CO -0.02 0.43 -0.08 -1.61 -0.54 0.00 0.00 174.62 172.80 3ns2 s GLU 98 N -0.65 0.75 -0.07 3.99 2.02 -0.32 -0.47 118.70 123.95 3ns2 s GLU 98 Ca 0.08 -0.26 0.03 0.00 0.02 0.00 0.00 54.97 54.84 3ns2 s GLU 98 Cb -0.08 -0.72 -0.02 0.00 0.10 0.00 0.00 34.13 33.40 3ns2 s GLU 98 CO -0.00 0.12 -0.15 0.50 0.02 0.00 0.00 175.26 175.75 3ns2 s ARG 99 N 0.07 2.76 -0.29 1.61 3.52 0.19 -0.87 118.95 125.93 3ns2 s ARG 99 Ca -0.01 -0.71 -0.29 0.00 -0.13 0.00 0.00 55.73 54.59 3ns2 s ARG 99 Cb -0.06 -2.43 0.01 0.00 -1.56 0.00 0.00 34.95 30.91 3ns2 s ARG 99 CO -0.00 0.48 1.07 -1.17 -0.81 0.00 0.00 175.30 174.87 3ns2 s LEU 100 N -0.36 3.99 -0.12 -0.88 2.96 -0.21 -1.75 118.68 122.32 3ns2 s LEU 100 Ca 0.03 1.18 0.15 0.00 -0.22 0.00 0.00 54.13 55.27 3ns2 s LEU 100 Cb -0.12 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.82 3ns2 s LEU 100 CO 0.02 -0.81 0.13 -0.62 -1.32 0.00 0.00 176.35 173.75 3ns2 n GLU 101 N 6.69 1.23 -3.65 1.98 -0.58 0.19 -0.67 120.64 125.83 3ns2 n GLU 101 Ca 0.12 -0.04 -0.11 0.00 -0.42 0.00 0.00 57.16 56.71 3ns2 n GLU 101 Cb 0.47 -1.40 -0.08 0.00 -0.57 0.00 0.00 31.44 29.86 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 -2.57 -0.84 -0.02 -0.32 5.36 -1.10 -4.88 117.98 113.60 3ns2 s PHE 102 Ca -0.07 1.86 0.00 0.00 -0.96 0.00 0.00 56.93 57.76 3ns2 s PHE 102 Cb 0.06 0.40 0.02 0.00 -0.34 0.00 0.00 43.02 43.16 3ns2 s PHE 102 CO 0.65 -0.42 0.00 0.08 -1.46 0.00 0.00 175.22 174.07 3ns2 s VAL 103 N 0.96 0.12 -0.25 3.12 1.01 -1.26 -0.77 120.40 123.33 3ns2 s VAL 103 Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.01 3ns2 s VAL 103 Cb -0.05 -0.20 0.07 0.00 0.00 0.00 0.00 36.38 36.20 3ns2 s VAL 103 CO -0.09 0.11 -0.00 -0.62 0.00 0.00 0.00 175.10 174.50 3ns2 s ASP 104 N 0.76 3.81 0.24 3.32 3.68 -0.19 -5.00 116.67 123.30 3ns2 s ASP 104 Ca -0.07 -1.29 0.06 0.00 2.13 0.00 0.00 52.55 53.37 3ns2 s ASP 104 Cb -0.10 -1.07 0.24 0.00 -1.45 0.00 0.00 42.92 40.54 3ns2 s ASP 104 CO -0.02 -0.29 1.55 0.44 0.13 0.00 0.00 175.17 176.98 3ns2 h ASP 105 N 7.99 0.21 -0.23 -0.34 3.32 -1.97 0.11 116.42 125.52 3ns2 h ASP 105 Ca -0.16 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 56.70 3ns2 h ASP 105 Cb 1.06 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 3ns2 h ASP 105 CO 0.42 0.79 -0.11 0.44 -1.72 0.00 0.00 179.24 179.06 3ns2 h ASP 106 N 0.13 0.50 0.23 6.45 3.32 -1.97 -3.14 116.42 121.94 3ns2 h ASP 106 Ca -0.01 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3ns2 h ASP 106 Cb 1.15 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.56 3ns2 h ASP 106 CO 0.09 0.80 -0.29 1.41 -1.72 0.00 0.00 179.24 179.53 3ns2 n HIS 107 N -4.51 0.00 -3.29 4.55 8.25 -1.22 -4.97 115.22 114.03 3ns2 n HIS 107 Ca -0.04 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.26 3ns2 n HIS 107 Cb 0.34 -0.12 0.08 0.00 1.12 0.00 0.00 29.99 31.41 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 -0.64 -3.55 -5.05 -0.41 1.74 0.30 -4.43 116.66 104.61 3ns2 n ARG 108 Ca 0.12 0.85 -0.29 0.00 -0.77 0.00 0.00 57.85 57.76 3ns2 n ARG 108 Cb 0.36 -5.80 -0.16 0.00 -1.02 0.00 0.00 32.46 25.83 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 -3.38 1.73 -0.02 1.55 1.01 -0.65 -0.78 120.40 119.87 3ns2 s VAL 109 Ca 0.32 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3ns2 s VAL 109 Cb -0.04 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.90 3ns2 s VAL 109 CO 0.73 0.49 0.02 -0.22 0.00 0.00 0.00 175.10 176.11 3ns2 s LEU 110 N -0.15 1.24 0.03 3.92 0.20 0.05 -1.02 118.68 122.96 3ns2 s LEU 110 Ca -0.01 0.01 0.07 0.00 0.69 0.00 0.00 54.13 54.89 3ns2 s LEU 110 Cb -0.12 -0.11 -0.02 0.00 -0.43 0.00 0.00 46.19 45.51 3ns2 s LEU 110 CO 0.02 -0.10 -0.21 -0.44 -0.29 0.00 0.00 176.35 175.34 3ns2 s SER 111 N 0.90 2.45 0.11 3.68 0.01 0.05 -0.64 113.70 120.25 3ns2 s SER 111 Ca -0.08 -0.50 -0.06 0.00 1.31 0.00 0.00 55.95 56.62 3ns2 s SER 111 Cb -0.11 -0.21 -0.01 0.00 0.21 0.00 0.00 66.02 65.89 3ns2 s SER 111 CO -0.02 0.17 0.16 0.72 0.41 0.00 0.00 173.24 174.68 3ns2 s PHE 112 N -0.75 0.36 0.03 2.43 -0.12 -0.53 -0.64 117.98 118.77 3ns2 s PHE 112 Ca 0.07 -0.79 0.01 0.00 -0.05 0.00 0.00 56.93 56.18 3ns2 s PHE 112 Cb -0.09 -0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.12 3ns2 s PHE 112 CO 0.01 -0.56 -0.06 -0.98 -0.05 0.00 0.00 175.22 173.59 3ns2 s ARG 113 N -3.92 0.42 0.16 1.99 1.70 -0.71 -1.20 118.95 117.39 3ns2 s ARG 113 Ca 0.11 -0.60 -0.30 0.00 -0.47 0.00 0.00 55.73 54.47 3ns2 s ARG 113 Cb 0.05 -0.18 -0.07 0.00 -0.57 0.00 0.00 34.95 34.18 3ns2 s ARG 113 CO -0.07 0.03 1.10 0.08 -1.08 0.00 0.00 175.30 175.36 3ns2 s VAL 114 N -1.15 3.92 -0.02 4.99 1.01 -0.42 -0.64 120.40 128.08 3ns2 s VAL 114 Ca -0.09 1.63 0.04 0.00 0.00 0.00 0.00 61.98 63.56 3ns2 s VAL 114 Cb -0.08 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 3ns2 s VAL 114 CO -0.00 0.27 0.06 1.33 0.00 0.00 0.00 175.10 176.76 3ns2 n VAL 115 N 2.50 0.14 -3.86 2.92 0.24 0.38 -4.75 118.33 115.90 3ns2 n VAL 115 Ca 0.03 -0.15 -0.08 0.00 -2.04 0.00 0.00 64.34 62.11 3ns2 n VAL 115 Cb 0.46 -0.20 -0.01 0.00 -1.47 0.00 0.00 33.84 32.62 3ns2 n VAL 115 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3ns2 s GLY 116 N -3.01 0.08 0.00 7.63 0.00 -1.17 -4.98 107.32 105.87 3ns2 s GLY 116 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.23 3ns2 s GLY 116 CO 0.19 -0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.71 3ns2 n GLY 117 N -0.48 2.09 3.48 0.20 0.00 -1.26 -1.22 105.19 108.00 3ns2 n GLY 117 Ca -0.05 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 3ns2 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ns2 s GLU 118 N -1.67 3.19 -0.17 1.61 2.02 -0.93 -4.98 118.70 117.77 3ns2 s GLU 118 Ca 0.00 -0.64 -0.28 0.00 0.02 0.00 0.00 54.97 54.07 3ns2 s GLU 118 Cb 0.00 -4.15 0.08 0.00 0.10 0.00 0.00 34.13 30.16 3ns2 s GLU 118 CO 0.00 -1.64 0.78 -3.38 0.02 0.00 0.00 175.26 171.04 3ns2 s HIS 119 N 3.87 -0.64 -0.08 1.61 -3.43 -1.26 -4.67 115.29 110.70 3ns2 s HIS 119 Ca 0.24 1.33 0.14 0.00 -0.80 0.00 0.00 55.06 55.97 3ns2 s HIS 119 Cb -0.16 0.36 -0.12 0.00 -1.43 0.00 0.00 32.58 31.23 3ns2 s HIS 119 CO 0.13 -0.45 1.00 -0.09 -2.00 0.00 0.00 174.74 173.33 3ns2 h ARG 120 N 3.75 0.00 -5.80 -0.38 2.43 -2.02 -3.43 114.38 108.93 3ns2 h ARG 120 Ca -0.27 0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.28 3ns2 h ARG 120 Cb 1.15 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 30.58 3ns2 h ARG 120 CO 0.23 0.48 0.37 -0.51 -1.51 0.00 0.00 179.97 179.04 3ns2 s LEU 121 N -6.13 4.22 0.10 3.80 2.01 -1.26 -4.76 118.68 116.65 3ns2 s LEU 121 Ca -0.01 -0.02 0.01 0.00 0.01 0.00 0.00 54.13 54.13 3ns2 s LEU 121 Cb 0.08 -2.99 -0.04 0.00 0.01 0.00 0.00 46.19 43.26 3ns2 s LEU 121 CO 0.80 -0.89 0.23 -0.54 1.01 0.00 0.00 176.35 176.96 3ns2 s LYS 122 N 3.28 3.39 -1.45 1.70 1.02 -1.26 -4.51 119.74 121.91 3ns2 s LYS 122 Ca 0.30 -0.53 -0.08 0.00 0.02 0.00 0.00 55.97 55.68 3ns2 s LYS 122 Cb -0.12 -2.98 0.03 0.00 -0.52 0.00 0.00 37.83 34.23 3ns2 s LYS 122 CO 0.22 0.57 0.90 0.09 -0.92 0.00 0.00 175.35 176.21 3ns2 n ASN 123 N -0.04 -5.86 -4.73 2.83 3.02 -1.26 -0.88 115.26 108.33 3ns2 n ASN 123 Ca -0.06 -0.48 -0.42 0.00 -0.03 0.00 0.00 54.58 53.59 3ns2 n ASN 123 Cb 0.52 -4.67 -0.03 0.00 -0.61 0.00 0.00 39.78 34.99 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 -3.24 3.12 0.02 3.10 5.04 -1.26 -4.39 117.35 119.74 3ns2 s TYR 124 Ca 0.49 0.95 0.01 0.00 -2.44 0.00 0.00 57.07 56.07 3ns2 s TYR 124 Cb -0.23 -3.78 -0.01 0.00 0.35 0.00 0.00 41.96 38.29 3ns2 s TYR 124 CO 0.61 -2.65 -0.04 0.15 -1.34 0.00 0.00 175.55 172.28 3ns2 s LYS 125 N 0.37 0.32 -0.02 4.97 1.02 -0.62 -1.31 119.74 124.47 3ns2 s LYS 125 Ca 0.63 -0.47 -0.02 0.00 0.02 0.00 0.00 55.97 56.13 3ns2 s LYS 125 Cb -0.40 -0.09 0.01 0.00 -0.52 0.00 0.00 37.83 36.83 3ns2 s LYS 125 CO 0.36 0.01 0.06 0.45 -0.92 0.00 0.00 175.35 175.31 3ns2 s SER 126 N -1.01 -0.06 -0.09 2.83 0.15 -0.34 -1.73 113.70 113.45 3ns2 s SER 126 Ca -0.09 0.12 0.04 0.00 0.70 0.00 0.00 55.95 56.73 3ns2 s SER 126 Cb -0.07 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 3ns2 s SER 126 CO -0.00 -0.03 -0.22 -0.69 1.20 0.00 0.00 173.24 173.50 3ns2 s VAL 127 N 0.07 1.89 -0.06 4.45 1.01 -0.25 -1.45 120.40 126.07 3ns2 s VAL 127 Ca -0.00 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.10 3ns2 s VAL 127 Cb -0.01 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 3ns2 s VAL 127 CO -0.00 0.52 -0.22 -0.89 0.00 0.00 0.00 175.10 174.51 3ns2 s THR 128 N 0.30 1.82 0.11 3.92 2.01 0.19 -0.89 115.64 123.10 3ns2 s THR 128 Ca -0.15 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 60.99 3ns2 s THR 128 Cb -0.17 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 3ns2 s THR 128 CO 0.07 0.51 -0.19 -0.94 -0.69 0.00 0.00 174.62 173.38 3ns2 s SER 129 N -0.03 2.40 -0.16 3.53 1.04 0.13 -0.77 113.70 119.83 3ns2 s SER 129 Ca -0.05 -0.71 0.01 0.00 0.48 0.00 0.00 55.95 55.68 3ns2 s SER 129 Cb -0.13 -0.12 0.02 0.00 0.10 0.00 0.00 66.02 65.88 3ns2 s SER 129 CO 0.04 0.01 -0.20 -0.69 0.98 0.00 0.00 173.24 173.38 3ns2 s VAL 130 N -1.37 1.98 -0.10 5.02 1.01 0.04 -1.38 120.40 125.61 3ns2 s VAL 130 Ca 0.07 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.15 3ns2 s VAL 130 Cb -0.09 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.52 3ns2 s VAL 130 CO 0.04 0.53 -0.10 0.20 0.00 0.00 0.00 175.10 175.77 3ns2 s ASN 131 N 1.19 2.08 0.07 3.32 0.01 -0.66 -4.67 114.94 116.29 3ns2 s ASN 131 Ca 0.02 -0.32 -0.06 0.00 -0.71 0.00 0.00 52.86 51.79 3ns2 s ASN 131 Cb -0.14 -0.87 -0.05 0.00 0.41 0.00 0.00 41.25 40.60 3ns2 s ASN 131 CO -0.10 -0.05 0.32 -0.70 -1.51 0.00 0.00 177.10 175.06 3ns2 s GLU 132 N 1.29 3.61 0.13 -0.60 2.12 -1.26 -0.42 118.70 123.56 3ns2 s GLU 132 Ca -0.02 -0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.25 3ns2 s GLU 132 Cb -0.14 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 3ns2 s GLU 132 CO -0.04 0.56 -0.06 -0.06 -0.54 0.00 0.00 175.26 175.13 3ns2 s PHE 133 N -1.47 1.05 -0.09 5.30 0.08 0.25 -4.95 117.98 118.15 3ns2 s PHE 133 Ca 0.34 -0.90 0.03 0.00 0.12 0.00 0.00 56.93 56.52 3ns2 s PHE 133 Cb -0.13 -0.59 -0.01 0.00 -0.57 0.00 0.00 43.02 41.73 3ns2 s PHE 133 CO 0.21 -0.11 -0.20 -1.17 -0.10 0.00 0.00 175.22 173.85 3ns2 s LEU 134 N -3.10 2.34 -0.58 -0.37 2.96 -1.26 -1.26 118.68 117.41 3ns2 s LEU 134 Ca 0.16 -0.44 -0.19 0.00 -0.22 0.00 0.00 54.13 53.44 3ns2 s LEU 134 Cb 0.05 -1.48 0.10 0.00 0.50 0.00 0.00 46.19 45.36 3ns2 s LEU 134 CO -0.02 0.20 0.68 0.21 -1.32 0.00 0.00 176.35 176.11 3ns2 s ASN 135 N 0.10 6.19 0.46 3.68 3.84 0.13 -4.93 114.94 124.39 3ns2 s ASN 135 Ca -0.09 -1.38 0.19 0.00 0.21 0.00 0.00 52.86 51.78 3ns2 s ASN 135 Cb -0.15 -2.29 1.09 0.00 -0.55 0.00 0.00 41.25 39.34 3ns2 s ASN 135 CO 0.06 -1.07 1.98 1.56 -2.79 0.00 0.00 177.10 176.83 3ns2 h GLN 136 N 9.14 0.00 -0.13 0.43 4.20 -1.94 1.05 115.11 127.87 3ns2 h GLN 136 Ca -0.29 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 3ns2 h GLN 136 Cb 1.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 3ns2 h GLN 136 CO 1.08 0.21 0.06 0.22 -0.67 0.00 0.00 178.83 179.72 3ns2 h ASP 137 N 0.00 0.17 0.71 1.46 3.58 -1.96 -3.24 116.42 117.15 3ns2 h ASP 137 Ca -0.00 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.31 3ns2 h ASP 137 Cb 0.42 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.42 3ns2 h ASP 137 CO 0.03 0.26 -1.29 -1.54 -2.88 0.00 0.00 179.24 173.82 3ns2 n SER 138 N -4.92 0.61 -0.15 2.28 3.41 -0.93 -4.95 113.62 108.98 3ns2 n SER 138 Ca -0.05 0.23 -0.02 0.00 -0.26 0.00 0.00 58.87 58.77 3ns2 n SER 138 Cb 0.10 0.89 -0.01 0.00 -0.26 0.00 0.00 64.21 64.93 3ns2 n SER 138 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ns2 n GLY 139 N 1.20 0.52 3.91 5.00 0.00 0.36 -5.02 105.19 111.16 3ns2 n GLY 139 Ca -0.01 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.21 3.49 0.28 1.61 1.02 -1.05 -4.85 119.74 119.03 3ns2 s LYS 140 Ca 0.00 -0.29 -0.02 0.00 0.02 0.00 0.00 55.97 55.68 3ns2 s LYS 140 Cb 0.00 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.23 3ns2 s LYS 140 CO 0.00 0.62 0.50 0.14 -0.92 0.00 0.00 175.35 175.68 3ns2 s VAL 141 N -1.44 5.11 0.29 3.17 -7.23 -1.26 0.18 120.40 119.22 3ns2 s VAL 141 Ca 0.32 -0.27 -0.08 0.00 -1.81 0.00 0.00 61.98 60.14 3ns2 s VAL 141 Cb -0.13 -3.78 -0.00 0.00 0.56 0.00 0.00 36.38 33.03 3ns2 s VAL 141 CO 0.23 -0.36 0.46 -0.72 -0.31 0.00 0.00 175.10 174.40 3ns2 s TYR 142 N -2.09 0.71 0.02 2.82 1.13 -0.39 -4.36 117.35 115.18 3ns2 s TYR 142 Ca 0.41 -1.03 0.06 0.00 -1.41 0.00 0.00 57.07 55.10 3ns2 s TYR 142 Cb -0.10 0.04 -0.02 0.00 -1.10 0.00 0.00 41.96 40.78 3ns2 s TYR 142 CO 0.32 -1.05 -0.19 0.99 -2.51 0.00 0.00 175.55 173.11 3ns2 s THR 143 N -3.53 1.50 -0.18 -3.49 2.01 0.31 -0.58 115.64 111.67 3ns2 s THR 143 Ca 0.27 -0.99 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 3ns2 s THR 143 Cb -0.00 -1.28 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 3ns2 s THR 143 CO 0.14 0.27 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.56 3ns2 s VAL 144 N -0.64 3.11 -0.14 3.82 1.01 0.44 -0.13 120.40 127.87 3ns2 s VAL 144 Ca 0.06 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 3ns2 s VAL 144 Cb -0.08 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 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 1.06 5.38 -0.10 2.92 1.01 0.30 -1.66 120.40 129.30 3ns2 s VAL 145 Ca 0.00 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.35 3ns2 s VAL 145 Cb -0.15 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 3ns2 s VAL 145 CO -0.02 0.51 -0.15 -0.76 0.00 0.00 0.00 175.10 174.68 3ns2 s LEU 146 N -0.28 2.63 -0.09 3.92 1.43 -0.48 -1.15 118.68 124.67 3ns2 s LEU 146 Ca 0.14 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 52.91 3ns2 s LEU 146 Cb -0.12 -1.57 0.02 0.00 0.03 0.00 0.00 46.19 44.55 3ns2 s LEU 146 CO 0.03 0.21 -0.05 -0.70 0.23 0.00 0.00 176.35 176.08 3ns2 s GLU 147 N 0.06 1.13 0.16 1.70 2.12 -0.20 -0.70 118.70 122.98 3ns2 s GLU 147 Ca -0.06 -0.12 0.08 0.00 0.36 0.00 0.00 54.97 55.23 3ns2 s GLU 147 Cb -0.15 -1.27 -0.04 0.00 0.26 0.00 0.00 34.13 32.94 3ns2 s GLU 147 CO 0.05 -0.24 -0.08 -1.54 -0.54 0.00 0.00 175.26 172.91 3ns2 s SER 148 N 1.63 4.36 0.08 -1.70 1.04 -0.07 -0.51 113.70 118.53 3ns2 s SER 148 Ca 0.02 -0.51 -0.03 0.00 0.48 0.00 0.00 55.95 55.91 3ns2 s SER 148 Cb -0.13 -0.79 -0.03 0.00 0.10 0.00 0.00 66.02 65.17 3ns2 s SER 148 CO -0.05 0.12 0.05 -0.72 0.98 0.00 0.00 173.24 173.62 3ns2 s TYR 149 N -1.59 0.51 0.04 5.02 1.13 -0.75 -1.08 117.35 120.62 3ns2 s TYR 149 Ca 0.24 -0.98 0.05 0.00 -1.41 0.00 0.00 57.07 54.97 3ns2 s TYR 149 Cb -0.09 -0.32 -0.02 0.00 -1.10 0.00 0.00 41.96 40.43 3ns2 s TYR 149 CO 0.15 -0.47 -0.14 -0.08 -2.51 0.00 0.00 175.55 172.51 3ns2 s THR 150 N -3.94 1.10 -0.05 -3.49 -1.32 -0.71 -2.17 115.64 105.07 3ns2 s THR 150 Ca 0.11 -1.02 -0.24 0.00 -1.21 0.00 0.00 61.69 59.33 3ns2 s THR 150 Cb 0.07 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.11 3ns2 s THR 150 CO -0.07 -0.02 0.52 0.54 -2.21 0.00 0.00 174.62 173.39 3ns2 s VAL 151 N -0.88 0.02 0.27 5.08 0.11 -0.58 -1.60 120.40 122.82 3ns2 s VAL 151 Ca 0.01 -0.19 -0.29 0.00 -2.93 0.00 0.00 61.98 58.58 3ns2 s VAL 151 Cb -0.08 -0.83 -0.09 0.00 -1.53 0.00 0.00 36.38 33.85 3ns2 s VAL 151 CO 0.01 -0.10 1.13 -1.81 -3.33 0.00 0.00 175.10 171.00 3ns2 s ASP 152 N -1.11 7.20 -0.18 3.54 1.01 -0.06 -0.74 116.67 126.33 3ns2 s ASP 152 Ca -0.11 2.29 -0.29 0.00 0.71 0.00 0.00 52.55 55.15 3ns2 s ASP 152 Cb -0.02 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.28 3ns2 s ASP 152 CO 0.07 -0.21 1.09 -0.63 0.21 0.00 0.00 175.17 175.70 3ns2 s ILE 153 N -0.98 4.59 0.59 0.77 1.01 -0.28 -4.27 121.20 122.63 3ns2 s ILE 153 Ca 0.46 1.90 -0.18 0.00 0.00 0.00 0.00 60.65 62.83 3ns2 s ILE 153 Cb -0.33 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 37.88 3ns2 s ILE 153 CO 0.41 -0.12 1.16 -2.84 0.00 0.00 0.00 174.94 173.55 3ns2 s PRO 154 N 2.97 3.07 0.20 2.79 0.02 -1.26 -4.95 135.00 137.84 3ns2 s PRO 154 Ca 0.48 1.68 -0.32 0.00 0.02 0.00 0.00 61.00 62.85 3ns2 s PRO 154 Cb -0.18 -1.96 -0.12 0.00 0.02 0.00 0.00 34.50 32.26 3ns2 s PRO 154 CO 0.11 -1.10 1.69 0.39 -0.33 0.00 0.00 177.00 177.76 3ns2 n GLU 155 N -1.63 2.63 0.00 5.54 -0.58 -1.26 -1.96 120.64 123.38 3ns2 n GLU 155 Ca 0.12 0.95 0.00 0.00 -0.42 0.00 0.00 57.16 57.81 3ns2 n GLU 155 Cb 0.50 -2.77 0.00 0.00 -0.57 0.00 0.00 31.44 28.60 3ns2 n GLU 155 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ns2 n GLY 156 N 3.79 3.11 3.90 0.62 0.00 -1.26 -5.05 105.19 110.29 3ns2 n GLY 156 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.14 6.48 0.49 1.61 -0.87 -0.83 -5.10 114.94 115.58 3ns2 s ASN 157 Ca 0.00 0.69 -0.06 0.00 -1.57 0.00 0.00 52.86 51.93 3ns2 s ASN 157 Cb 0.00 -2.13 -0.04 0.00 -0.02 0.00 0.00 41.25 39.06 3ns2 s ASN 157 CO 0.00 -0.10 0.80 0.28 -2.57 0.00 0.00 177.10 175.51 3ns2 s THR 158 N -1.91 4.88 0.33 1.60 -1.32 -1.26 -4.81 115.64 113.14 3ns2 s THR 158 Ca 0.43 0.24 0.02 0.00 -1.21 0.00 0.00 61.69 61.17 3ns2 s THR 158 Cb -0.11 -3.86 0.22 0.00 -1.51 0.00 0.00 72.50 67.24 3ns2 s THR 158 CO 0.27 -0.86 1.95 -0.08 -2.21 0.00 0.00 174.62 173.69 3ns2 h GLU 159 N 0.18 0.79 -0.38 7.08 4.81 -1.98 -1.81 114.58 123.28 3ns2 h GLU 159 Ca -0.47 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 58.61 3ns2 h GLU 159 Cb 1.20 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 3ns2 h GLU 159 CO 0.62 0.60 -0.01 1.49 -0.73 0.00 0.00 179.01 180.98 3ns2 h GLU 160 N 0.80 0.67 -0.25 1.92 4.81 -1.99 -0.43 114.58 120.12 3ns2 h GLU 160 Ca 0.20 -0.22 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 3ns2 h GLU 160 Cb 0.05 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3ns2 h GLU 160 CO -0.03 0.78 -0.47 -0.44 -0.73 0.00 0.00 179.01 178.11 3ns2 h ASP 161 N 0.49 0.71 -0.14 1.04 3.32 -1.91 -0.73 116.42 119.19 3ns2 h ASP 161 Ca 0.11 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 3ns2 h ASP 161 Cb 0.48 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3ns2 h ASP 161 CO 0.02 1.07 0.03 0.74 -1.72 0.00 0.00 179.24 179.38 3ns2 h THR 162 N 0.52 1.21 -0.69 0.35 2.02 -1.27 -1.18 112.91 113.88 3ns2 h THR 162 Ca 0.03 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 66.55 3ns2 h THR 162 Cb 1.02 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 68.78 3ns2 h THR 162 CO 0.10 0.20 0.45 0.50 0.37 0.00 0.00 175.52 177.13 3ns2 h LYS 163 N 0.02 0.87 -0.48 6.66 3.64 -1.02 -1.03 116.57 125.24 3ns2 h LYS 163 Ca 0.04 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3ns2 h LYS 163 Cb 0.28 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3ns2 h LYS 163 CO 0.00 0.58 0.22 1.98 -2.27 0.00 0.00 179.45 179.96 3ns2 h MET 164 N 0.90 0.70 0.32 1.90 4.05 -0.97 0.12 114.93 121.94 3ns2 h MET 164 Ca 0.26 -0.11 -0.02 0.00 -0.28 0.00 0.00 59.70 59.55 3ns2 h MET 164 Cb -0.07 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.61 3ns2 h MET 164 CO -0.07 0.61 -0.15 0.35 0.23 0.00 0.00 176.91 177.88 3ns2 h PHE 165 N 0.63 -0.40 -0.61 1.39 3.57 -0.93 -1.67 116.94 118.93 3ns2 h PHE 165 Ca 0.16 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 3ns2 h PHE 165 Cb 0.15 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3ns2 h PHE 165 CO -0.00 -0.13 -0.00 0.28 -2.23 0.00 0.00 178.31 176.22 3ns2 h VAL 166 N -0.61 1.27 -0.78 1.41 2.07 -1.15 -1.95 116.25 116.51 3ns2 h VAL 166 Ca -0.04 -1.16 0.07 0.00 0.82 0.00 0.00 66.70 66.39 3ns2 h VAL 166 Cb 0.44 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 3ns2 h VAL 166 CO 0.07 0.42 0.45 0.44 0.02 0.00 0.00 177.57 178.98 3ns2 h ASP 167 N 0.98 0.68 -0.16 0.57 5.19 -0.78 -0.27 116.42 122.63 3ns2 h ASP 167 Ca 0.17 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 3ns2 h ASP 167 Cb 0.57 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 3ns2 h ASP 167 CO 0.03 0.42 0.06 0.74 -3.12 0.00 0.00 179.24 177.37 3ns2 h THR 168 N 0.81 1.17 -0.44 0.35 2.02 -0.70 -0.85 112.91 115.27 3ns2 h THR 168 Ca 0.35 -0.52 -0.05 0.00 0.77 0.00 0.00 66.41 66.97 3ns2 h THR 168 Cb 0.24 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 3ns2 h THR 168 CO -0.20 0.16 0.08 0.58 0.37 0.00 0.00 175.52 176.51 3ns2 h VAL 169 N 0.09 1.24 -0.61 3.16 2.07 -1.06 -0.58 116.25 120.57 3ns2 h VAL 169 Ca 0.05 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 3ns2 h VAL 169 Cb 0.20 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3ns2 h VAL 169 CO -0.00 0.31 0.24 0.58 0.02 0.00 0.00 177.57 178.71 3ns2 h VAL 170 N 0.58 1.23 -0.67 2.57 2.07 -0.98 -0.82 116.25 120.23 3ns2 h VAL 170 Ca 0.13 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 3ns2 h VAL 170 Cb 0.37 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3ns2 h VAL 170 CO 0.01 0.29 0.31 0.50 0.02 0.00 0.00 177.57 178.69 3ns2 h LYS 171 N 0.85 0.98 -0.41 1.57 1.63 -0.93 -0.67 116.57 119.58 3ns2 h LYS 171 Ca 0.20 -0.15 -0.08 0.00 -0.85 0.00 0.00 60.65 59.77 3ns2 h LYS 171 Cb 0.21 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 3ns2 h LYS 171 CO -0.02 0.78 -0.07 -0.07 -3.45 0.00 0.00 179.45 176.63 3ns2 h LEU 172 N 0.94 0.67 -0.50 5.20 3.38 -0.69 0.63 115.31 124.94 3ns2 h LEU 172 Ca 0.23 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3ns2 h LEU 172 Cb 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3ns2 h LEU 172 CO -0.03 0.79 0.13 0.78 0.09 0.00 0.00 178.44 180.20 3ns2 h ASN 173 N 0.64 0.76 0.01 -0.43 2.35 -0.72 -1.58 115.58 116.60 3ns2 h ASN 173 Ca 0.12 -0.23 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 3ns2 h ASN 173 Cb 0.50 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 3ns2 h ASN 173 CO 0.03 0.79 -0.19 -0.07 -1.65 0.00 0.00 177.43 176.34 3ns2 h LEU 174 N 0.69 0.33 -0.75 1.61 3.38 -0.50 0.28 115.31 120.34 3ns2 h LEU 174 Ca 0.16 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3ns2 h LEU 174 Cb 0.33 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3ns2 h LEU 174 CO 0.00 0.54 0.27 1.56 0.09 0.00 0.00 178.44 180.90 3ns2 h GLN 175 N 0.31 1.15 -0.34 1.13 4.20 -0.59 -1.05 115.11 119.91 3ns2 h GLN 175 Ca 0.06 -0.23 -0.15 0.00 0.06 0.00 0.00 58.65 58.39 3ns2 h GLN 175 Cb 0.52 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 3ns2 h GLN 175 CO 0.03 0.96 -0.38 -0.22 -0.67 0.00 0.00 178.83 178.55 3ns2 h LYS 176 N 1.11 0.82 -0.83 1.46 3.64 -0.68 -0.62 116.57 121.46 3ns2 h LYS 176 Ca 0.25 -0.42 0.12 0.00 -1.27 0.00 0.00 60.65 59.32 3ns2 h LYS 176 Cb 0.27 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.01 3ns2 h LYS 176 CO -0.01 1.06 0.45 1.25 -2.27 0.00 0.00 179.45 179.92 3ns2 h LEU 177 N 0.67 0.59 -0.45 5.20 5.85 -0.80 0.45 115.31 126.82 3ns2 h LEU 177 Ca 0.06 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 3ns2 h LEU 177 Cb 0.95 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 3ns2 h LEU 177 CO 0.09 0.31 0.04 1.23 -0.34 0.00 0.00 178.44 179.76 3ns2 h GLY 178 N 0.70 0.83 1.00 3.75 0.00 -0.44 -0.10 103.07 108.81 3ns2 h GLY 178 Ca 0.42 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 3ns2 h GLY 178 CO -0.30 0.54 0.34 -2.08 0.00 0.00 0.00 176.54 175.05 3ns2 h VAL 179 N 0.63 1.17 -0.08 4.60 2.07 -0.43 -0.60 116.25 123.61 3ns2 h VAL 179 Ca 0.13 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3ns2 h VAL 179 Cb 0.44 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3ns2 h VAL 179 CO 0.02 0.17 0.04 0.00 0.02 0.00 0.00 177.57 177.82 3ns2 h ALA 180 N 1.17 0.10 0.00 1.67 0.00 -0.66 -1.07 119.26 120.48 3ns2 h ALA 180 Ca 0.20 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3ns2 h ALA 180 Cb -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3ns2 h ALA 180 CO -0.04 -0.35 -0.36 0.00 0.00 0.00 0.00 179.25 178.50 3ns2 h ALA 181 N 0.93 1.38 0.00 0.00 0.00 -0.82 -1.60 119.26 119.15 3ns2 h ALA 181 Ca 0.03 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 3ns2 h ALA 181 Cb 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3ns2 h ALA 181 CO -0.00 0.45 -1.08 1.79 0.00 0.00 0.00 179.25 180.41 3ns2 h THR 182 N 0.00 0.21 0.00 0.00 1.35 -0.92 -3.44 112.91 110.10 3ns2 h THR 182 Ca -0.00 -1.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 3ns2 h THR 182 Cb 0.65 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 3ns2 h THR 182 CO 0.05 0.12 0.00 -1.54 -0.25 0.00 0.00 175.52 173.89 3ns2 n SER 183 N -2.79 0.00 -4.82 5.36 3.41 -0.42 -5.05 113.62 109.30 3ns2 n SER 183 Ca -0.03 -0.03 -0.30 0.00 -0.26 0.00 0.00 58.87 58.25 3ns2 n SER 183 Cb 0.66 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.55 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 3.70 0.38 7.33 0.00 -0.61 -5.03 121.76 127.53 3ns2 s ALA 184 Ca 0.00 -0.99 -0.28 0.00 0.00 0.00 0.00 51.96 50.70 3ns2 s ALA 184 Cb 0.00 -1.55 -0.11 0.00 0.00 0.00 0.00 23.12 21.46 3ns2 s ALA 184 CO 0.00 0.74 1.43 -2.30 0.00 0.00 0.00 175.76 175.63 3ns2 n PRO 185 N 0.28 2.48 0.00 0.00 -0.02 -1.26 -4.83 135.00 131.65 3ns2 n PRO 185 Ca -0.07 0.87 0.08 0.00 -2.02 0.00 0.00 63.50 62.36 3ns2 n PRO 185 Cb 0.52 -2.58 0.47 0.00 -0.02 0.00 0.00 33.50 31.89 3ns2 n PRO 185 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15