#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3giw h ILE 16 N 0.00 0.95 -6.29 0.55 1.08 -2.02 -3.45 117.51 108.33 3giw h ILE 16 Ca 0.00 -1.12 -0.32 0.00 -0.39 0.00 0.00 64.86 63.02 3giw h ILE 16 Cb 0.00 1.66 0.00 0.00 -3.07 0.00 0.00 36.82 35.41 3giw h ILE 16 CO 0.00 0.29 -0.80 -0.67 -0.69 0.00 0.00 178.15 176.28 3giw n ASP 17 N -3.80 -5.87 0.01 1.72 2.03 -1.26 -4.86 116.55 104.51 3giw n ASP 17 Ca -0.01 -0.54 0.11 0.00 0.52 0.00 0.00 54.79 54.86 3giw n ASP 17 Cb 0.39 -2.81 0.46 0.00 -0.72 0.00 0.00 41.12 38.43 3giw n ASP 17 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3giw n THR 18 N -1.93 0.54 1.06 5.18 -2.24 -1.26 -3.55 114.28 112.07 3giw n THR 18 Ca -0.18 0.11 0.12 0.00 -2.27 0.00 0.00 64.05 61.83 3giw n THR 18 Cb 0.63 -0.77 0.25 0.00 -2.10 0.00 0.00 70.33 68.34 3giw n THR 18 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3giw n GLU 19 N -1.59 0.23 -4.33 -0.78 -0.58 -1.26 -4.47 120.64 107.86 3giw n GLU 19 Ca 0.05 -0.14 -0.29 0.00 -0.42 0.00 0.00 57.16 56.36 3giw n GLU 19 Cb 0.26 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.52 3giw n GLU 19 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3giw s SER 20 N -2.87 3.72 0.38 1.62 0.01 -1.23 -4.81 113.70 110.52 3giw s SER 20 Ca 0.14 -0.62 -0.26 0.00 1.31 0.00 0.00 55.95 56.53 3giw s SER 20 Cb 0.18 -0.45 -0.09 0.00 0.21 0.00 0.00 66.02 65.87 3giw s SER 20 CO 0.67 0.18 1.14 0.00 0.41 0.00 0.00 173.24 175.63 3giw s ALA 21 N -1.13 3.18 -0.01 1.44 0.00 -1.26 -4.74 121.76 119.24 3giw s ALA 21 Ca 0.17 0.91 0.05 0.00 0.00 0.00 0.00 51.96 53.09 3giw s ALA 21 Cb -0.10 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 3giw s ALA 21 CO 0.09 -0.42 -0.16 -1.01 0.00 0.00 0.00 175.76 174.26 3giw s HIS 22 N -1.43 1.46 0.21 0.00 3.76 -1.26 -5.02 115.29 113.02 3giw s HIS 22 Ca 0.55 -0.29 -0.09 0.00 -0.15 0.00 0.00 55.06 55.09 3giw s HIS 22 Cb -0.29 -0.93 0.23 0.00 1.11 0.00 0.00 32.58 32.70 3giw s HIS 22 CO 0.37 -0.01 1.83 0.66 -0.85 0.00 0.00 174.74 176.74 3giw h SER 23 N 5.63 0.67 -0.24 1.40 4.64 -1.99 -1.16 113.55 122.50 3giw h SER 23 Ca -0.36 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 60.91 3giw h SER 23 Cb 1.16 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 3giw h SER 23 CO 0.48 0.45 -0.05 0.00 -0.87 0.00 0.00 176.83 176.84 3giw h ALA 24 N 1.34 1.24 -0.04 5.18 0.00 -1.97 -1.75 119.26 123.26 3giw h ALA 24 Ca 0.30 -0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 3giw h ALA 24 Cb 0.11 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.75 3giw h ALA 24 CO -0.15 0.50 -0.92 0.00 0.00 0.00 0.00 179.25 178.68 3giw h ARG 25 N 0.56 0.59 -0.45 0.00 3.08 -1.62 -1.86 114.38 114.67 3giw h ARG 25 Ca 0.11 -0.58 0.01 0.00 0.07 0.00 0.00 59.98 59.59 3giw h ARG 25 Cb 0.43 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 3giw h ARG 25 CO 0.02 1.20 0.29 0.82 -1.07 0.00 0.00 179.97 181.23 3giw h ILE 26 N 0.36 1.10 -0.21 2.04 2.04 -1.07 -0.62 117.51 121.14 3giw h ILE 26 Ca -0.09 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.60 3giw h ILE 26 Cb 1.55 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 3giw h ILE 26 CO 0.17 0.11 0.04 0.22 0.00 0.00 0.00 178.15 178.69 3giw h TYR 27 N 0.59 0.07 -0.56 1.37 5.03 -1.28 -0.57 116.97 121.62 3giw h TYR 27 Ca 0.17 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.48 3giw h TYR 27 Cb -0.05 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.21 3giw h TYR 27 CO -0.05 0.02 0.31 0.22 -1.32 0.00 0.00 178.16 177.34 3giw h ASP 28 N 0.12 0.69 -0.18 -2.11 3.58 -1.15 -1.08 116.42 116.29 3giw h ASP 28 Ca 0.10 -0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.51 3giw h ASP 28 Cb 0.09 -0.17 -0.06 0.00 1.72 0.00 0.00 39.33 40.91 3giw h ASP 28 CO -0.13 0.57 -0.20 0.22 -2.88 0.00 0.00 179.24 176.83 3giw h TYR 29 N 0.75 -0.51 -0.51 0.28 3.20 -0.75 0.90 116.97 120.33 3giw h TYR 29 Ca 0.20 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.03 3giw h TYR 29 Cb 0.03 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 3giw h TYR 29 CO -0.02 -0.27 0.04 0.82 -1.64 0.00 0.00 178.16 177.09 3giw h ILE 30 N -0.22 1.24 -0.10 1.81 1.08 -0.68 -2.58 117.51 118.05 3giw h ILE 30 Ca 0.12 -0.96 0.00 0.00 -0.39 0.00 0.00 64.86 63.63 3giw h ILE 30 Cb 0.40 0.81 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 3giw h ILE 30 CO -0.31 0.34 0.00 2.30 -0.69 0.00 0.00 178.15 179.79 3giw n ILE 31 N -4.23 0.12 0.00 -0.67 -5.35 -0.45 -4.86 119.36 103.93 3giw n ILE 31 Ca 0.03 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 3giw n ILE 31 Cb 0.28 0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.32 3giw n ILE 31 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3giw n GLY 32 N 1.02 1.01 2.70 3.28 0.00 -0.90 -5.06 105.19 107.23 3giw n GLY 32 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 3giw n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3giw n GLY 33 N -1.98 -1.13 0.17 -0.02 0.00 0.26 -5.01 105.19 97.47 3giw n GLY 33 Ca 0.00 -1.74 0.03 0.00 0.00 0.00 0.00 46.02 44.31 3giw n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3giw n LYS 34 N -2.88 1.63 -2.35 1.61 -0.00 -1.26 -4.56 118.16 110.35 3giw n LYS 34 Ca 0.12 -0.58 -0.42 0.00 -0.00 0.00 0.00 58.31 57.42 3giw n LYS 34 Cb 0.40 -1.00 0.00 0.00 -0.00 0.00 0.00 35.03 34.44 3giw n LYS 34 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3giw n ASP 35 N -0.14 5.55 -3.82 -5.58 8.00 -1.26 -4.87 116.55 114.43 3giw n ASP 35 Ca 0.03 -3.14 -0.09 0.00 0.71 0.00 0.00 54.79 52.29 3giw n ASP 35 Cb 0.13 -1.44 -0.04 0.00 -0.02 0.00 0.00 41.12 39.75 3giw n ASP 35 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3giw s TYR 36 N -0.10 0.01 0.32 1.24 -0.85 -1.26 -4.60 117.35 112.11 3giw s TYR 36 Ca 0.40 -0.37 0.06 0.00 -0.52 0.00 0.00 57.07 56.64 3giw s TYR 36 Cb 0.10 0.35 -0.06 0.00 0.38 0.00 0.00 41.96 42.73 3giw s TYR 36 CO 0.00 -0.95 -0.01 0.71 -1.52 0.00 0.00 175.55 173.78 3giw s TYR 37 N -3.91 2.08 0.32 -3.49 2.02 -1.26 -5.02 117.35 108.10 3giw s TYR 37 Ca 0.13 -0.76 0.10 0.00 -0.37 0.00 0.00 57.07 56.17 3giw s TYR 37 Cb -0.01 -1.30 0.88 0.00 -0.40 0.00 0.00 41.96 41.13 3giw s TYR 37 CO 0.01 0.25 1.74 -1.35 -1.57 0.00 0.00 175.55 174.63 3giw h PRO 38 N 2.12 0.59 -0.62 -1.71 0.11 -2.00 0.11 132.00 130.60 3giw h PRO 38 Ca -0.41 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.71 3giw h PRO 38 Cb 1.24 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 3giw h PRO 38 CO 0.71 0.39 0.41 0.00 -0.21 0.00 0.00 178.00 179.30 3giw h ALA 39 N 1.70 1.71 -0.22 -0.75 0.00 -1.87 -0.92 119.26 118.90 3giw h ALA 39 Ca 0.62 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.37 3giw h ALA 39 Cb 1.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3giw h ALA 39 CO -0.43 0.21 -0.42 -0.44 0.00 0.00 0.00 179.25 178.17 3giw h ASP 40 N 0.70 0.75 -0.68 0.00 3.32 -1.28 -2.44 116.42 116.79 3giw h ASP 40 Ca 0.26 -0.54 0.01 0.00 0.02 0.00 0.00 57.03 56.77 3giw h ASP 40 Cb 0.15 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3giw h ASP 40 CO -0.07 1.15 0.44 0.50 -1.72 0.00 0.00 179.24 179.54 3giw h LYS 41 N 0.38 0.89 -0.47 3.56 3.64 -1.15 -0.45 116.57 122.97 3giw h LYS 41 Ca 0.01 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3giw h LYS 41 Cb 1.02 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 3giw h LYS 41 CO 0.09 0.60 0.19 1.49 -2.27 0.00 0.00 179.45 179.55 3giw h GLU 42 N 0.92 0.70 0.22 1.90 4.22 -1.16 0.51 114.58 121.89 3giw h GLU 42 Ca 0.25 -0.12 -0.01 0.00 0.08 0.00 0.00 59.36 59.55 3giw h GLU 42 Cb -0.10 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.04 3giw h GLU 42 CO -0.05 0.62 -0.11 0.00 -2.18 0.00 0.00 179.01 177.29 3giw h ALA 43 N 1.04 -0.30 -0.87 2.92 0.00 -1.32 -1.54 119.26 119.19 3giw h ALA 43 Ca 0.16 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3giw h ALA 43 Cb 0.18 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3giw h ALA 43 CO -0.01 -0.66 0.58 0.78 0.00 0.00 0.00 179.25 179.93 3giw h GLY 44 N -0.30 1.22 1.02 0.00 0.00 -0.86 -2.63 103.07 101.53 3giw h GLY 44 Ca -0.03 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 3giw h GLY 44 CO 0.05 0.45 0.07 -0.55 0.00 0.00 0.00 176.54 176.56 3giw h ASP 45 N 1.18 0.91 0.00 0.19 3.32 -0.87 -0.55 116.42 120.60 3giw h ASP 45 Ca 0.32 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3giw h ASP 45 Cb -0.14 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.17 3giw h ASP 45 CO -0.07 0.95 0.00 0.00 -1.72 0.00 0.00 179.24 178.40 3giw n ALA 46 N -2.43 1.28 0.00 3.45 0.00 -0.59 -1.97 120.51 120.26 3giw n ALA 46 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3giw n ALA 46 Cb 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3giw n ALA 46 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3giw n SER 48 N 0.59 0.00 -0.16 0.00 7.64 -0.22 -2.83 113.62 118.64 3giw n SER 48 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 3giw n SER 48 Cb 0.03 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.35 3giw n SER 48 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3giw h ARG 49 N 0.00 0.92 -0.05 1.43 3.08 -1.66 -2.43 114.38 115.68 3giw h ARG 49 Ca 0.00 -0.24 -0.20 0.00 0.07 0.00 0.00 59.98 59.61 3giw h ARG 49 Cb 0.00 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 3giw h ARG 49 CO 0.00 0.87 -0.82 0.93 -1.07 0.00 0.00 179.97 179.89 3giw h GLU 50 N 0.87 0.44 -2.53 0.04 4.39 -1.82 -3.42 114.58 112.56 3giw h GLU 50 Ca 0.17 -0.40 -0.55 0.00 0.34 0.00 0.00 59.36 58.93 3giw h GLU 50 Cb 0.42 0.10 -0.38 0.00 -0.10 0.00 0.00 28.75 28.79 3giw h GLU 50 CO 0.01 1.05 -0.82 -0.46 -1.16 0.00 0.00 179.01 177.63 3giw s TRP 51 N -3.49 0.52 0.57 4.33 -0.00 -1.13 -4.75 118.94 114.99 3giw s TRP 51 Ca -0.06 -1.40 0.28 0.00 -0.00 0.00 0.00 56.10 54.92 3giw s TRP 51 Cb 0.10 -0.84 1.49 0.00 -0.00 0.00 0.00 33.47 34.22 3giw s TRP 51 CO 0.86 -0.85 1.97 -1.35 -0.00 0.00 0.00 176.95 177.58 3giw h PRO 52 N 7.23 0.00 0.00 5.86 0.11 -1.70 -0.72 132.00 142.78 3giw h PRO 52 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3giw h PRO 52 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3giw h PRO 52 CO 0.28 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.07 3giw n ALA 53 N -2.46 2.24 -0.27 -0.75 0.00 -1.26 -4.25 120.51 113.76 3giw n ALA 53 Ca 0.08 -0.12 0.05 0.00 0.00 0.00 0.00 53.44 53.44 3giw n ALA 53 Cb 0.59 -1.36 0.14 0.00 0.00 0.00 0.00 19.45 18.82 3giw n ALA 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3giw h LEU 54 N 0.00 -0.48 -1.19 0.00 5.85 -1.45 0.65 115.31 118.69 3giw h LEU 54 Ca 0.00 0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.88 3giw h LEU 54 Cb 0.10 0.40 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3giw h LEU 54 CO 0.00 -0.22 -0.05 -0.65 -0.34 0.00 0.00 178.44 177.18 3giw h PRO 55 N 0.06 0.50 -0.36 5.25 0.11 -1.85 -2.80 132.00 132.91 3giw h PRO 55 Ca 0.41 -0.12 -0.03 0.00 0.11 0.00 0.00 66.00 66.37 3giw h PRO 55 Cb 0.71 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 3giw h PRO 55 CO -0.73 0.57 0.11 0.28 -0.21 0.00 0.00 178.00 178.02 3giw h VAL 56 N 0.47 1.21 0.00 3.15 2.07 -1.23 -1.18 116.25 120.75 3giw h VAL 56 Ca 0.10 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3giw h VAL 56 Cb 0.39 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3giw h VAL 56 CO 0.02 0.24 0.00 1.57 0.02 0.00 0.00 177.57 179.41 3giw n HIS 57 N -4.64 0.00 0.00 1.57 -0.00 -0.37 -1.02 115.22 110.75 3giw n HIS 57 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 3giw n HIS 57 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.16 3giw n HIS 57 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3giw n ARG 59 N 0.11 0.00 -0.04 1.57 1.74 -0.45 -1.52 116.66 118.08 3giw n ARG 59 Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 3giw n ARG 59 Cb 0.00 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 31.64 3giw n ARG 59 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3giw h ALA 60 N 0.00 1.15 -0.54 7.54 0.00 -1.32 -0.37 119.26 125.73 3giw h ALA 60 Ca 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3giw h ALA 60 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3giw h ALA 60 CO 0.00 0.54 0.16 -0.97 0.00 0.00 0.00 179.25 178.98 3giw h ASN 61 N 0.58 0.79 -0.42 0.00 -1.24 -1.53 -0.83 115.58 112.94 3giw h ASN 61 Ca 0.11 -0.21 -0.03 0.00 0.71 0.00 0.00 56.30 56.88 3giw h ASN 61 Cb 0.51 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.33 3giw h ASN 61 CO 0.03 0.79 0.15 -0.09 -1.29 0.00 0.00 177.43 177.02 3giw h ARG 62 N 0.75 0.64 -0.84 6.67 9.65 -1.74 -2.76 114.38 126.75 3giw h ARG 62 Ca 0.17 -0.13 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 3giw h ARG 62 Cb 0.29 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.73 3giw h ARG 62 CO -0.00 0.61 0.48 -0.44 2.80 0.00 0.00 179.97 183.42 3giw h ASP 63 N 0.53 1.03 0.00 -3.80 3.32 -0.96 -2.32 116.42 114.22 3giw h ASP 63 Ca 0.14 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3giw h ASP 63 Cb 0.23 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3giw h ASP 63 CO -0.01 0.81 0.00 1.87 -1.72 0.00 0.00 179.24 180.19 3giw n TRP 64 N -4.36 0.00 0.00 4.55 -0.00 -0.33 -1.72 117.44 115.59 3giw n TRP 64 Ca 0.09 -0.02 0.00 0.00 -0.00 0.00 0.00 57.50 57.57 3giw n TRP 64 Cb 0.08 -0.10 0.00 0.00 -0.00 0.00 0.00 31.31 31.29 3giw n TRP 64 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 3giw n ASN 66 N 0.92 0.00 -0.10 5.87 3.02 -0.87 -0.50 115.26 123.60 3giw n ASN 66 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 3giw n ASN 66 Cb 0.03 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.23 3giw n ASN 66 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3giw h ARG 67 N 0.00 0.84 -0.35 3.52 3.08 -1.63 -1.84 114.38 118.00 3giw h ARG 67 Ca 0.00 -0.40 -0.05 0.00 0.07 0.00 0.00 59.98 59.60 3giw h ARG 67 Cb 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3giw h ARG 67 CO 0.00 1.04 0.03 0.00 -1.07 0.00 0.00 179.97 179.97 3giw h ALA 68 N 0.92 0.46 -0.48 0.04 0.00 -1.07 -1.20 119.26 117.94 3giw h ALA 68 Ca 0.07 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3giw h ALA 68 Cb 0.89 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3giw h ALA 68 CO 0.08 0.20 -0.14 0.28 0.00 0.00 0.00 179.25 179.67 3giw h VAL 69 N 0.42 1.27 -0.56 0.00 2.07 -1.79 -0.87 116.25 116.78 3giw h VAL 69 Ca 0.10 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.36 3giw h VAL 69 Cb 0.40 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3giw h VAL 69 CO 0.01 0.44 0.36 0.00 0.02 0.00 0.00 177.57 178.40 3giw h ALA 70 N 0.88 0.72 -0.12 1.67 0.00 -1.26 -0.38 119.26 120.76 3giw h ALA 70 Ca 0.12 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3giw h ALA 70 Cb 0.70 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3giw h ALA 70 CO 0.05 0.11 -0.07 1.25 0.00 0.00 0.00 179.25 180.59 3giw h HIS 71 N 0.72 -0.16 -0.77 0.00 6.17 -1.02 0.18 115.15 120.26 3giw h HIS 71 Ca 0.22 0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.33 3giw h HIS 71 Cb -0.03 0.09 -0.04 0.00 2.52 0.00 0.00 27.41 29.94 3giw h HIS 71 CO -0.05 -0.11 0.50 -0.07 0.71 0.00 0.00 177.93 178.91 3giw h LEU 72 N -0.06 0.84 -0.03 0.26 3.38 -0.78 -0.02 115.31 118.90 3giw h LEU 72 Ca 0.07 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3giw h LEU 72 Cb 0.17 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3giw h LEU 72 CO -0.16 0.59 -0.20 0.00 0.09 0.00 0.00 178.44 178.76 3giw h ALA 73 N 1.31 0.07 0.00 1.53 0.00 -0.86 -1.09 119.26 120.21 3giw h ALA 73 Ca 0.30 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3giw h ALA 73 Cb -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3giw h ALA 73 CO -0.09 0.05 -0.14 0.87 0.00 0.00 0.00 179.25 179.93 3giw h LYS 74 N -0.40 0.00 0.08 0.00 6.56 -0.60 -3.04 116.57 119.17 3giw h LYS 74 Ca -0.02 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.44 3giw h LYS 74 Cb 0.88 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 32.55 3giw h LYS 74 CO 0.04 0.32 -0.59 0.93 -2.06 0.00 0.00 179.45 178.09 3giw h GLU 75 N -1.00 0.25 0.00 3.15 3.07 -1.18 -3.35 114.58 115.52 3giw h GLU 75 Ca -0.02 -0.38 0.00 0.00 -0.50 0.00 0.00 59.36 58.46 3giw h GLU 75 Cb 0.40 0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 3giw h GLU 75 CO -0.01 1.15 -0.40 0.00 -1.40 0.00 0.00 179.01 178.35 3giw n ALA 76 N -2.63 2.86 -1.16 3.43 0.00 -0.76 -4.96 120.51 117.29 3giw n ALA 76 Ca -0.12 -0.21 -0.06 0.00 0.00 0.00 0.00 53.44 53.05 3giw n ALA 76 Cb 0.71 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.88 3giw n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3giw n GLY 77 N 1.39 0.80 3.73 0.00 0.00 -0.88 -4.98 105.19 105.26 3giw n GLY 77 Ca 0.05 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 3giw n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3giw s ILE 78 N -2.18 3.98 0.00 -0.61 -1.09 -0.47 -4.93 121.20 115.91 3giw s ILE 78 Ca 0.00 1.63 0.00 0.00 -2.23 0.00 0.00 60.65 60.05 3giw s ILE 78 Cb 0.00 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 3giw s ILE 78 CO 0.00 0.24 0.84 0.54 -1.23 0.00 0.00 174.94 175.33 3giw n ARG 79 N 2.78 1.89 -3.81 2.79 5.12 -1.26 -4.34 116.66 119.84 3giw n ARG 79 Ca 0.04 -1.19 -0.14 0.00 -1.93 0.00 0.00 57.85 54.64 3giw n ARG 79 Cb 0.47 -0.95 -0.15 0.00 -1.16 0.00 0.00 32.46 30.67 3giw n ARG 79 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3giw s GLN 80 N -0.70 0.01 -0.01 5.56 -0.21 -1.26 -0.95 119.66 122.10 3giw s GLN 80 Ca 0.00 0.14 0.02 0.00 0.02 0.00 0.00 55.36 55.54 3giw s GLN 80 Cb 0.00 -0.12 -0.00 0.00 1.00 0.00 0.00 33.01 33.88 3giw s GLN 80 CO 0.00 -0.10 -0.06 -0.06 -2.12 0.00 0.00 175.29 172.95 3giw s PHE 81 N 0.61 0.58 -0.26 0.91 0.40 -0.26 -0.74 117.98 119.23 3giw s PHE 81 Ca -0.05 -0.11 0.03 0.00 -0.60 0.00 0.00 56.93 56.19 3giw s PHE 81 Cb -0.07 -0.39 0.06 0.00 0.51 0.00 0.00 43.02 43.13 3giw s PHE 81 CO -0.02 -0.02 -0.09 -1.17 0.70 0.00 0.00 175.22 174.62 3giw s LEU 82 N -0.08 3.32 -0.31 -0.37 2.96 -0.22 -1.09 118.68 122.89 3giw s LEU 82 Ca 0.01 -1.39 -0.08 0.00 -0.22 0.00 0.00 54.13 52.45 3giw s LEU 82 Cb -0.03 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 45.19 3giw s LEU 82 CO -0.00 -0.21 0.12 -0.62 -1.32 0.00 0.00 176.35 174.32 3giw s ASP 83 N 1.15 5.36 -0.31 3.68 2.15 -0.20 -0.92 116.67 127.59 3giw s ASP 83 Ca -0.07 -0.68 -0.10 0.00 0.43 0.00 0.00 52.55 52.13 3giw s ASP 83 Cb -0.20 -1.94 -0.01 0.00 -0.30 0.00 0.00 42.92 40.47 3giw s ASP 83 CO -0.05 -0.22 0.17 -0.63 -0.17 0.00 0.00 175.17 174.27 3giw s ILE 84 N 1.55 4.78 0.00 4.11 -1.09 0.17 -1.30 121.20 129.43 3giw s ILE 84 Ca 0.03 -0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.12 3giw s ILE 84 Cb -0.17 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 3giw s ILE 84 CO 0.04 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.44 3giw n GLY 85 N 5.01 0.58 0.36 6.18 0.00 0.10 -4.12 105.19 113.31 3giw n GLY 85 Ca -0.14 -0.38 -0.01 0.00 0.00 0.00 0.00 46.02 45.50 3giw n GLY 85 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3giw h THR 86 N 0.00 1.23 -0.30 2.61 2.02 -1.40 -3.45 112.91 113.61 3giw h THR 86 Ca 0.00 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.76 3giw h THR 86 Cb 0.77 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3giw h THR 86 CO 0.00 0.22 0.00 0.61 0.37 0.00 0.00 175.52 176.72 3giw n GLY 87 N -1.39 -1.58 3.72 2.16 0.00 -1.26 -4.80 105.19 102.04 3giw n GLY 87 Ca 0.10 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 3giw n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3giw s ILE 88 N 0.00 3.93 0.22 -0.61 1.01 -1.26 -4.90 121.20 119.58 3giw s ILE 88 Ca 0.00 1.43 -0.32 0.00 0.00 0.00 0.00 60.65 61.76 3giw s ILE 88 Cb 0.00 -3.92 -0.14 0.00 0.01 0.00 0.00 42.46 38.41 3giw s ILE 88 CO 0.00 0.14 1.38 -2.65 0.00 0.00 0.00 174.94 173.81 3giw n PRO 89 N 3.61 1.87 -3.75 2.79 -0.02 -1.26 -4.98 135.00 133.25 3giw n PRO 89 Ca 0.08 0.67 -0.12 0.00 -2.02 0.00 0.00 63.50 62.10 3giw n PRO 89 Cb 0.46 -2.30 -0.12 0.00 -0.02 0.00 0.00 33.50 31.52 3giw n PRO 89 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3giw s THR 90 N 0.02 -0.02 0.01 3.45 2.01 -1.26 -5.09 115.64 114.75 3giw s THR 90 Ca 0.70 0.07 -0.26 0.00 0.31 0.00 0.00 61.69 62.51 3giw s THR 90 Cb -0.69 -0.41 -0.05 0.00 0.01 0.00 0.00 72.50 71.36 3giw s THR 90 CO 0.49 0.03 0.79 -0.55 -0.69 0.00 0.00 174.62 174.69 3giw s SER 91 N 0.70 7.18 0.24 3.53 0.15 -1.26 -2.37 113.70 121.87 3giw s SER 91 Ca -0.05 1.42 -0.30 0.00 0.70 0.00 0.00 55.95 57.72 3giw s SER 91 Cb -0.06 -2.47 -0.09 0.00 -1.71 0.00 0.00 66.02 61.69 3giw s SER 91 CO -0.04 -0.07 0.95 -2.16 1.20 0.00 0.00 173.24 173.11 3giw s PRO 92 N 0.37 4.84 0.68 5.44 0.04 -1.26 -5.16 135.00 139.95 3giw s PRO 92 Ca 0.41 1.50 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 3giw s PRO 92 Cb -0.20 -3.28 -0.00 0.00 0.04 0.00 0.00 34.50 31.06 3giw s PRO 92 CO 0.23 0.49 1.07 -0.80 0.04 0.00 0.00 177.00 178.03 3giw s ASN 93 N -1.12 5.71 0.19 6.66 0.01 -1.00 -4.89 114.94 120.51 3giw s ASN 93 Ca 0.41 1.26 -0.15 0.00 -0.71 0.00 0.00 52.86 53.67 3giw s ASN 93 Cb -0.26 -2.15 0.17 0.00 0.41 0.00 0.00 41.25 39.41 3giw s ASN 93 CO 0.32 -1.19 1.65 0.25 -1.51 0.00 0.00 177.10 176.63 3giw h LEU 94 N -0.54 -0.47 -1.67 0.60 6.46 -2.01 -0.87 115.31 116.82 3giw h LEU 94 Ca -0.45 0.15 -0.04 0.00 -0.12 0.00 0.00 57.88 57.43 3giw h LEU 94 Cb 1.23 0.32 -0.01 0.00 -0.73 0.00 0.00 40.66 41.47 3giw h LEU 94 CO 0.63 -0.17 -0.19 1.12 -0.62 0.00 0.00 178.44 179.21 3giw h HIS 95 N 0.01 0.00 -0.29 1.25 2.07 -1.95 -1.81 115.15 114.42 3giw h HIS 95 Ca 0.25 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.62 3giw h HIS 95 Cb 0.38 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.35 3giw h HIS 95 CO -0.43 0.19 -0.42 0.93 -3.07 0.00 0.00 177.93 175.12 3giw h GLU 96 N 0.00 0.73 0.06 5.12 5.08 -1.54 0.12 114.58 124.14 3giw h GLU 96 Ca -0.00 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3giw h GLU 96 Cb 0.37 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3giw h GLU 96 CO 0.02 1.01 -0.03 0.82 -1.00 0.00 0.00 179.01 179.84 3giw h ILE 97 N 0.59 1.15 -0.42 3.13 2.04 -1.03 -2.13 117.51 120.83 3giw h ILE 97 Ca 0.04 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 3giw h ILE 97 Cb 0.97 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 3giw h ILE 97 CO 0.09 0.17 0.21 0.00 0.00 0.00 0.00 178.15 178.63 3giw h ALA 98 N 0.54 0.55 0.00 1.87 0.00 -1.28 -2.90 119.26 118.04 3giw h ALA 98 Ca -0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3giw h ALA 98 Cb 0.34 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3giw h ALA 98 CO 0.01 0.10 -0.23 1.96 0.00 0.00 0.00 179.25 181.09 3giw h GLN 99 N 0.55 0.00 -0.01 0.00 4.20 -0.81 -1.03 115.11 118.01 3giw h GLN 99 Ca 0.15 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.78 3giw h GLN 99 Cb 0.10 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3giw h GLN 99 CO -0.02 0.23 -0.38 0.66 -0.67 0.00 0.00 178.83 178.65 3giw h SER 100 N 0.00 0.02 0.14 1.46 4.64 -1.19 -2.50 113.55 116.12 3giw h SER 100 Ca -0.00 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.11 3giw h SER 100 Cb 0.79 -0.01 0.02 0.00 -0.31 0.00 0.00 62.40 62.89 3giw h SER 100 CO 0.03 0.40 -0.91 0.58 -0.87 0.00 0.00 176.83 176.06 3giw h VAL 101 N 0.02 1.44 -2.13 0.95 2.07 -1.21 -3.45 116.25 113.95 3giw h VAL 101 Ca -0.00 -2.52 -0.29 0.00 0.82 0.00 0.00 66.70 64.71 3giw h VAL 101 Cb 0.68 3.13 -0.33 0.00 -1.52 0.00 0.00 31.29 33.25 3giw h VAL 101 CO 0.05 0.71 -0.61 0.00 0.02 0.00 0.00 177.57 177.75 3giw s ALA 102 N -2.44 -0.59 0.58 1.67 0.00 -0.46 -5.04 121.76 115.48 3giw s ALA 102 Ca -0.14 -0.03 0.28 0.00 0.00 0.00 0.00 51.96 52.07 3giw s ALA 102 Cb 0.01 -1.74 1.55 0.00 0.00 0.00 0.00 23.12 22.94 3giw s ALA 102 CO 0.82 -1.59 2.01 -1.35 0.00 0.00 0.00 175.76 175.66 3giw h PRO 103 N 8.25 0.00 0.00 0.00 0.11 -1.69 -1.19 132.00 137.48 3giw h PRO 103 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3giw h PRO 103 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3giw h PRO 103 CO 0.31 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.25 3giw n GLU 104 N -3.85 0.58 -1.68 1.05 0.00 -1.26 -2.25 120.64 113.24 3giw n GLU 104 Ca 0.05 0.03 -0.38 0.00 0.00 0.00 0.00 57.16 56.86 3giw n GLU 104 Cb 0.49 -1.50 0.05 0.00 0.00 0.00 0.00 31.44 30.47 3giw n GLU 104 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 3giw n SER 105 N -1.15 1.67 -4.19 -1.84 7.64 -0.45 -4.43 113.62 110.87 3giw n SER 105 Ca 0.16 0.88 -0.26 0.00 1.01 0.00 0.00 58.87 60.66 3giw n SER 105 Cb 0.15 -1.48 -0.16 0.00 -1.01 0.00 0.00 64.21 61.71 3giw n SER 105 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3giw s ARG 106 N -2.86 1.61 -0.02 1.43 0.52 -0.13 -2.69 118.95 116.81 3giw s ARG 106 Ca 0.75 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 55.28 3giw s ARG 106 Cb -0.42 -1.53 0.03 0.00 0.52 0.00 0.00 34.95 33.55 3giw s ARG 106 CO 0.47 0.39 0.02 0.08 0.02 0.00 0.00 175.30 176.29 3giw s VAL 107 N -0.39 0.00 -0.19 3.52 1.01 -0.54 -1.10 120.40 122.71 3giw s VAL 107 Ca 0.06 0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 3giw s VAL 107 Cb -0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 3giw s VAL 107 CO -0.00 0.10 -0.03 -0.69 0.00 0.00 0.00 175.10 174.48 3giw s VAL 108 N 1.02 3.76 -0.00 2.92 1.01 -0.25 -1.68 120.40 127.18 3giw s VAL 108 Ca -0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 3giw s VAL 108 Cb -0.13 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 3giw s VAL 108 CO -0.03 0.45 0.10 -0.31 0.00 0.00 0.00 175.10 175.32 3giw s TYR 109 N 0.85 3.34 -0.03 5.22 2.02 -0.29 -1.03 117.35 127.43 3giw s TYR 109 Ca -0.00 0.23 -0.01 0.00 -0.37 0.00 0.00 57.07 56.92 3giw s TYR 109 Cb -0.14 -1.75 0.03 0.00 -0.40 0.00 0.00 41.96 39.69 3giw s TYR 109 CO 0.02 0.57 0.06 0.08 -1.57 0.00 0.00 175.55 174.71 3giw s VAL 110 N -1.24 -0.05 0.15 0.71 1.01 -0.42 -0.73 120.40 119.83 3giw s VAL 110 Ca 0.24 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.30 3giw s VAL 110 Cb -0.12 -0.12 0.01 0.00 0.00 0.00 0.00 36.38 36.14 3giw s VAL 110 CO 0.15 0.08 0.34 -0.62 0.00 0.00 0.00 175.10 175.06 3giw s ASP 111 N 1.05 -0.06 0.00 3.32 -1.08 -1.07 -0.72 116.67 118.11 3giw s ASP 111 Ca -0.09 -0.62 0.10 0.00 -0.52 0.00 0.00 52.55 51.42 3giw s ASP 111 Cb -0.12 0.45 0.03 0.00 -1.46 0.00 0.00 42.92 41.83 3giw s ASP 111 CO -0.04 -0.89 0.70 -0.46 0.52 0.00 0.00 175.17 175.01 3giw n ASN 112 N -0.21 1.46 -4.64 -0.34 6.94 -1.22 -1.27 115.26 115.98 3giw n ASN 112 Ca -0.11 -1.23 -0.43 0.00 -0.02 0.00 0.00 54.58 52.79 3giw n ASN 112 Cb 0.63 0.28 -0.02 0.00 -2.36 0.00 0.00 39.78 38.31 3giw n ASN 112 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3giw s ASP 113 N -1.15 6.97 0.59 0.53 -1.08 -1.26 -4.93 116.67 116.34 3giw s ASP 113 Ca 0.10 1.16 0.29 0.00 -0.52 0.00 0.00 52.55 53.58 3giw s ASP 113 Cb 0.08 -2.54 1.46 0.00 -1.46 0.00 0.00 42.92 40.46 3giw s ASP 113 CO 0.20 -0.83 1.88 -0.65 0.52 0.00 0.00 175.17 176.29 3giw h PRO 114 N 7.96 0.00 -0.04 4.34 0.11 -1.92 -1.50 132.00 140.96 3giw h PRO 114 Ca -0.20 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.87 3giw h PRO 114 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3giw h PRO 114 CO 1.02 0.00 -0.16 0.97 -0.21 0.00 0.00 178.00 179.62 3giw h ILE 115 N 0.00 1.14 -0.49 4.15 2.10 -1.91 -2.94 117.51 119.56 3giw h ILE 115 Ca 0.21 -0.64 -0.03 0.00 1.08 0.00 0.00 64.86 65.48 3giw h ILE 115 Cb 1.21 1.29 -0.02 0.00 -1.09 0.00 0.00 36.82 38.21 3giw h ILE 115 CO -0.00 0.19 0.18 0.58 -1.08 0.00 0.00 178.15 178.02 3giw h VAL 116 N 0.05 1.22 -0.78 2.19 2.07 -1.61 -1.92 116.25 117.47 3giw h VAL 116 Ca 0.01 -0.68 0.12 0.00 0.82 0.00 0.00 66.70 66.96 3giw h VAL 116 Cb 0.32 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 30.76 3giw h VAL 116 CO 0.02 0.26 0.39 0.25 0.02 0.00 0.00 177.57 178.50 3giw h LEU 117 N 0.65 0.48 -2.30 2.57 5.85 -1.66 -0.49 115.31 120.41 3giw h LEU 117 Ca 0.16 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 3giw h LEU 117 Cb 0.22 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 3giw h LEU 117 CO -0.01 0.24 -0.04 0.71 -0.34 0.00 0.00 178.44 178.99 3giw h THR 118 N 0.60 0.30 -0.52 1.05 1.35 -1.33 -2.15 112.91 112.22 3giw h THR 118 Ca 0.40 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 66.00 3giw h THR 118 Cb 0.50 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 3giw h THR 118 CO -0.32 0.04 0.00 0.18 -0.25 0.00 0.00 175.52 175.17 3giw n LEU 119 N -3.42 4.02 0.09 3.87 4.77 -0.27 -4.72 117.00 121.33 3giw n LEU 119 Ca -0.02 -2.34 0.12 0.00 -0.03 0.00 0.00 56.01 53.74 3giw n LEU 119 Cb 0.16 -0.47 0.45 0.00 -2.33 0.00 0.00 43.42 41.24 3giw n LEU 119 CO 0.26 0.80 0.87 -1.54 -1.33 0.00 0.00 177.39 176.45 3giw n SER 120 N 0.80 0.60 -0.24 -1.43 3.41 -0.74 -3.59 113.62 112.43 3giw n SER 120 Ca 0.21 0.59 0.03 0.00 -0.26 0.00 0.00 58.87 59.44 3giw n SER 120 Cb 0.72 -0.74 0.16 0.00 -0.26 0.00 0.00 64.21 64.09 3giw n SER 120 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3giw h GLN 121 N 0.00 0.43 -0.14 4.33 -0.00 -1.84 -1.75 115.11 116.14 3giw h GLN 121 Ca 0.00 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.59 3giw h GLN 121 Cb 0.55 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.92 3giw h GLN 121 CO 0.00 0.29 -0.05 0.78 0.00 0.00 0.00 178.83 179.85 3giw h GLY 122 N 0.45 0.22 1.71 2.39 0.00 -1.97 -1.83 103.07 104.04 3giw h GLY 122 Ca 0.38 -0.12 -0.12 0.00 0.00 0.00 0.00 47.33 47.47 3giw h GLY 122 CO -0.36 0.11 -0.45 1.41 0.00 0.00 0.00 176.54 177.25 3giw h LEU 123 N 0.21 0.34 -0.03 3.11 3.38 -1.54 -3.20 115.31 117.56 3giw h LEU 123 Ca 0.05 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3giw h LEU 123 Cb 0.22 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3giw h LEU 123 CO 0.01 0.75 -0.22 0.18 0.09 0.00 0.00 178.44 179.24 3giw n LEU 124 N -3.99 0.28 -4.57 1.67 4.77 -0.76 -4.67 117.00 109.73 3giw n LEU 124 Ca -0.02 0.22 -0.38 0.00 -0.03 0.00 0.00 56.01 55.80 3giw n LEU 124 Cb 0.52 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 3giw n LEU 124 CO 0.43 0.06 1.59 0.00 -1.33 0.00 0.00 177.39 178.15 3giw s ALA 125 N -2.93 2.65 0.16 -1.18 0.00 -0.80 -4.78 121.76 114.89 3giw s ALA 125 Ca 0.15 -2.32 -0.00 0.00 0.00 0.00 0.00 51.96 49.79 3giw s ALA 125 Cb 0.19 -4.58 -0.04 0.00 0.00 0.00 0.00 23.12 18.69 3giw s ALA 125 CO 0.59 -3.84 0.34 0.45 0.00 0.00 0.00 175.76 173.30 3giw s SER 126 N 5.34 6.38 0.73 0.00 0.15 -1.26 -5.00 113.70 120.05 3giw s SER 126 Ca 0.53 0.35 -0.16 0.00 0.70 0.00 0.00 55.95 57.38 3giw s SER 126 Cb 0.00 -1.99 -0.00 0.00 -1.71 0.00 0.00 66.02 62.32 3giw s SER 126 CO -0.02 0.02 0.83 0.35 1.20 0.00 0.00 173.24 175.62 3giw n THR 127 N -0.39 2.33 0.15 6.45 -2.24 -1.26 -4.93 114.28 114.40 3giw n THR 127 Ca -0.05 -0.36 0.03 0.00 -2.27 0.00 0.00 64.05 61.40 3giw n THR 127 Cb 0.53 -0.98 0.42 0.00 -2.10 0.00 0.00 70.33 68.20 3giw n THR 127 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3giw h PRO 128 N -0.38 0.16 0.00 -0.78 0.13 -1.99 -2.93 132.00 126.22 3giw h PRO 128 Ca -0.47 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 3giw h PRO 128 Cb 1.33 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 3giw h PRO 128 CO 0.45 0.32 -0.34 0.93 -0.23 0.00 0.00 178.00 179.14 3giw h GLU 129 N 0.16 0.00 0.00 0.86 3.07 -1.92 -3.46 114.58 113.29 3giw h GLU 129 Ca 0.03 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.77 3giw h GLU 129 Cb 0.37 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3giw h GLU 129 CO 0.02 0.34 -0.04 0.41 -1.40 0.00 0.00 179.01 178.34 3giw n GLY 130 N 0.03 2.50 3.13 -3.84 0.00 -0.95 -4.40 105.19 101.66 3giw n GLY 130 Ca -0.01 -2.18 -0.12 0.00 0.00 0.00 0.00 46.02 43.71 3giw n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3giw s ARG 131 N -2.56 0.34 0.08 1.61 0.52 -1.10 -4.78 118.95 113.07 3giw s ARG 131 Ca 0.10 0.16 0.02 0.00 -0.52 0.00 0.00 55.73 55.49 3giw s ARG 131 Cb -0.01 0.16 -0.04 0.00 0.52 0.00 0.00 34.95 35.58 3giw s ARG 131 CO 0.07 -0.06 -0.06 0.95 0.02 0.00 0.00 175.30 176.21 3giw s THR 132 N -0.25 0.62 0.12 0.02 -4.23 -1.26 -1.47 115.64 109.19 3giw s THR 132 Ca -0.04 -1.74 -0.12 0.00 -1.18 0.00 0.00 61.69 58.61 3giw s THR 132 Cb -0.03 -1.44 0.01 0.00 1.34 0.00 0.00 72.50 72.39 3giw s THR 132 CO 0.01 -0.78 0.31 0.00 -0.54 0.00 0.00 174.62 173.61 3giw s ALA 133 N -3.17 -0.49 -0.05 3.99 0.00 -0.68 -4.89 121.76 116.47 3giw s ALA 133 Ca 0.07 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.62 3giw s ALA 133 Cb 0.02 0.65 0.01 0.00 0.00 0.00 0.00 23.12 23.80 3giw s ALA 133 CO -0.04 -0.60 -0.12 -0.47 0.00 0.00 0.00 175.76 174.53 3giw s TYR 134 N -3.86 1.33 -0.11 0.00 5.04 -1.26 -1.14 117.35 117.35 3giw s TYR 134 Ca 0.07 -0.43 0.02 0.00 -2.44 0.00 0.00 57.07 54.28 3giw s TYR 134 Cb 0.03 -0.96 0.02 0.00 0.35 0.00 0.00 41.96 41.40 3giw s TYR 134 CO -0.09 -0.21 -0.15 0.08 -1.34 0.00 0.00 175.55 173.84 3giw s VAL 135 N 0.46 1.52 -0.38 3.14 1.01 0.09 -4.98 120.40 121.25 3giw s VAL 135 Ca -0.10 -0.65 -0.24 0.00 0.00 0.00 0.00 61.98 60.99 3giw s VAL 135 Cb -0.13 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.87 3giw s VAL 135 CO 0.02 0.45 0.85 -0.70 0.00 0.00 0.00 175.10 175.72 3giw s GLU 136 N 1.02 3.73 0.12 2.72 2.12 -1.26 -2.60 118.70 124.55 3giw s GLU 136 Ca -0.06 0.35 -0.25 0.00 0.36 0.00 0.00 54.97 55.38 3giw s GLU 136 Cb -0.15 -3.83 0.08 0.00 0.26 0.00 0.00 34.13 30.49 3giw s GLU 136 CO -0.02 -0.95 0.70 0.00 -0.54 0.00 0.00 175.26 174.45 3giw s ALA 137 N 3.33 -1.64 0.00 6.30 0.00 -0.40 -4.96 121.76 124.39 3giw s ALA 137 Ca 0.34 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.87 3giw s ALA 137 Cb -0.12 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.74 3giw s ALA 137 CO 0.19 -0.78 0.00 -3.47 0.00 0.00 0.00 175.76 171.71 3giw n ASP 138 N -0.35 0.24 0.00 0.00 -0.08 -1.26 -3.37 116.55 111.73 3giw n ASP 138 Ca -0.13 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 3giw n ASP 138 Cb 0.64 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.10 3giw n ASP 138 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3giw n LEU 140 N 0.00 0.00 -3.65 -2.67 4.77 -1.26 -4.37 117.00 109.83 3giw n LEU 140 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 3giw n LEU 140 Cb 0.00 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 40.93 3giw n LEU 140 CO 0.00 0.00 -0.04 -0.67 -1.33 0.00 0.00 177.39 175.35 3giw n ASP 141 N 0.00 2.79 -0.38 -1.43 2.03 -1.26 -4.98 116.55 113.32 3giw n ASP 141 Ca 0.00 -3.19 0.31 0.00 0.52 0.00 0.00 54.79 52.43 3giw n ASP 141 Cb 0.00 -0.70 0.61 0.00 -0.72 0.00 0.00 41.12 40.31 3giw n ASP 141 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3giw h PRO 142 N 4.91 0.20 -0.90 -0.67 0.11 -1.95 -2.34 132.00 131.36 3giw h PRO 142 Ca 0.17 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 3giw h PRO 142 Cb 0.74 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.77 3giw h PRO 142 CO 0.71 0.13 0.50 0.00 -0.21 0.00 0.00 178.00 179.13 3giw h ALA 143 N 1.54 1.19 -0.18 -0.75 0.00 -1.94 0.11 119.26 119.23 3giw h ALA 143 Ca 0.67 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.51 3giw h ALA 143 Cb 2.09 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 3giw h ALA 143 CO -0.26 0.66 0.17 0.66 0.00 0.00 0.00 179.25 180.47 3giw h SER 144 N 1.25 0.00 0.00 0.00 4.64 -1.78 0.27 113.55 117.93 3giw h SER 144 Ca 0.32 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.58 3giw h SER 144 Cb 0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3giw h SER 144 CO -0.05 0.00 -0.50 0.40 -0.87 0.00 0.00 176.83 175.81 3giw h ILE 145 N 0.00 0.45 0.00 0.95 2.04 -1.44 -3.31 117.51 116.19 3giw h ILE 145 Ca 0.09 -1.45 -0.08 0.00 1.00 0.00 0.00 64.86 64.42 3giw h ILE 145 Cb 0.42 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3giw h ILE 145 CO -0.00 0.15 -0.36 -0.07 0.00 0.00 0.00 178.15 177.87 3giw h LEU 146 N -1.00 0.00 -2.27 1.44 3.38 -0.60 -2.33 115.31 113.93 3giw h LEU 146 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3giw h LEU 146 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3giw h LEU 146 CO -0.05 0.36 0.00 0.47 0.09 0.00 0.00 178.44 179.31 3giw n ASP 147 N -4.01 3.36 -4.72 -0.43 8.00 0.06 -4.73 116.55 114.09 3giw n ASP 147 Ca -0.02 -1.97 -0.42 0.00 0.71 0.00 0.00 54.79 53.09 3giw n ASP 147 Cb 0.41 -0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 3giw n ASP 147 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3giw s ALA 148 N -1.42 3.81 0.46 2.24 0.00 -0.88 -4.89 121.76 121.09 3giw s ALA 148 Ca 0.40 1.43 0.13 0.00 0.00 0.00 0.00 51.96 53.93 3giw s ALA 148 Cb 0.23 -3.64 1.07 0.00 0.00 0.00 0.00 23.12 20.77 3giw s ALA 148 CO 0.31 -0.82 2.06 -1.00 0.00 0.00 0.00 175.76 176.31 3giw h PRO 149 N 6.59 0.12 -0.53 0.00 0.13 -1.92 -0.80 132.00 135.58 3giw h PRO 149 Ca -0.43 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 3giw h PRO 149 Cb 1.20 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 3giw h PRO 149 CO 0.91 0.16 0.21 0.93 -0.23 0.00 0.00 178.00 179.98 3giw h GLU 150 N 0.12 0.77 -0.02 0.86 3.07 -1.94 0.18 114.58 117.61 3giw h GLU 150 Ca 0.03 -0.11 -0.07 0.00 -0.50 0.00 0.00 59.36 58.70 3giw h GLU 150 Cb 0.13 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 3giw h GLU 150 CO 0.00 0.63 -0.27 1.25 -1.40 0.00 0.00 179.01 179.22 3giw h LEU 151 N 0.76 0.28 -1.30 1.33 6.46 -1.56 -3.03 115.31 118.24 3giw h LEU 151 Ca 0.18 -0.72 -0.05 0.00 -0.12 0.00 0.00 57.88 57.17 3giw h LEU 151 Cb 0.15 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 3giw h LEU 151 CO -0.02 0.96 -0.22 0.03 -0.62 0.00 0.00 178.44 178.57 3giw h ARG 152 N -0.38 0.00 -0.00 1.25 2.47 -0.98 0.10 114.38 116.84 3giw h ARG 152 Ca -0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 3giw h ARG 152 Cb 0.98 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.30 3giw h ARG 152 CO 0.05 0.22 -0.06 -0.25 0.56 0.00 0.00 179.97 180.49 3giw n ASP 153 N -3.47 0.10 -0.06 7.04 8.00 0.03 -4.43 116.55 123.75 3giw n ASP 153 Ca -0.00 0.17 -0.13 0.00 0.71 0.00 0.00 54.79 55.54 3giw n ASP 153 Cb 0.39 -0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 41.12 3giw n ASP 153 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3giw n THR 154 N -1.40 0.96 -3.83 -3.53 -1.04 -0.41 -5.04 114.28 99.99 3giw n THR 154 Ca 0.09 -0.08 -0.32 0.00 -2.04 0.00 0.00 64.05 61.70 3giw n THR 154 Cb 0.31 -1.78 -0.05 0.00 -1.82 0.00 0.00 70.33 67.00 3giw n THR 154 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3giw s LEU 155 N -6.98 4.34 -0.45 -4.42 1.43 0.22 -4.93 118.68 107.89 3giw s LEU 155 Ca -0.19 0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 53.20 3giw s LEU 155 Cb 0.06 -2.92 0.08 0.00 0.03 0.00 0.00 46.19 43.44 3giw s LEU 155 CO 0.25 0.18 0.33 -0.62 0.23 0.00 0.00 176.35 176.72 3giw s ASP 156 N -2.22 5.88 0.00 2.29 -1.08 -1.26 -4.65 116.67 115.62 3giw s ASP 156 Ca 0.33 -1.46 0.09 0.00 -0.52 0.00 0.00 52.55 50.99 3giw s ASP 156 Cb -0.13 -2.08 0.55 0.00 -1.46 0.00 0.00 42.92 39.80 3giw s ASP 156 CO 0.23 -0.60 1.28 0.18 0.52 0.00 0.00 175.17 176.78 3giw n LEU 157 N 5.05 0.00 -0.74 -1.34 4.77 -1.26 -1.80 117.00 121.68 3giw n LEU 157 Ca -0.11 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.98 3giw n LEU 157 Cb 0.43 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.85 3giw n LEU 157 CO 0.43 0.00 0.75 0.35 -1.33 0.00 0.00 177.39 177.60 3giw n THR 158 N -0.66 0.23 -4.31 -5.08 -2.24 -1.26 -4.11 114.28 96.86 3giw n THR 158 Ca 0.07 -0.45 -0.20 0.00 -2.27 0.00 0.00 64.05 61.20 3giw n THR 158 Cb 0.03 0.66 -0.11 0.00 -2.10 0.00 0.00 70.33 68.81 3giw n THR 158 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3giw s ARG 159 N -1.77 1.21 0.43 -0.78 0.52 -0.74 -4.90 118.95 112.92 3giw s ARG 159 Ca 0.34 -1.40 -0.25 0.00 -0.52 0.00 0.00 55.73 53.91 3giw s ARG 159 Cb 0.19 -1.17 -0.10 0.00 0.52 0.00 0.00 34.95 34.40 3giw s ARG 159 CO 0.29 0.23 1.14 -2.30 0.02 0.00 0.00 175.30 174.68 3giw n PRO 160 N 0.23 1.62 -4.40 3.54 -0.02 -1.26 -4.56 135.00 130.14 3giw n PRO 160 Ca -0.13 0.58 -0.19 0.00 -2.02 0.00 0.00 63.50 61.74 3giw n PRO 160 Cb 0.58 -2.22 -0.15 0.00 -0.02 0.00 0.00 33.50 31.69 3giw n PRO 160 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3giw s VAL 161 N -1.24 0.76 -0.28 -1.45 1.01 -1.26 -4.24 120.40 113.71 3giw s VAL 161 Ca 0.63 -0.43 -0.17 0.00 0.00 0.00 0.00 61.98 62.02 3giw s VAL 161 Cb -0.53 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 3giw s VAL 161 CO 0.57 0.21 0.45 0.00 0.00 0.00 0.00 175.10 176.33 3giw s ALA 162 N -0.24 3.57 -0.40 5.51 0.00 0.08 -1.40 121.76 128.87 3giw s ALA 162 Ca 0.04 -0.75 -0.21 0.00 0.00 0.00 0.00 51.96 51.04 3giw s ALA 162 Cb -0.04 -2.83 0.01 0.00 0.00 0.00 0.00 23.12 20.27 3giw s ALA 162 CO -0.00 -0.76 0.68 -1.17 0.00 0.00 0.00 175.76 174.50 3giw s LEU 163 N 2.22 4.32 -0.24 0.00 2.96 0.29 -1.06 118.68 127.16 3giw s LEU 163 Ca 0.18 -0.04 -0.07 0.00 -0.22 0.00 0.00 54.13 53.98 3giw s LEU 163 Cb -0.16 -2.82 -0.03 0.00 0.50 0.00 0.00 46.19 43.69 3giw s LEU 163 CO 0.10 -0.72 0.08 0.42 -1.32 0.00 0.00 176.35 174.91 3giw s THR 164 N 2.88 4.41 -0.55 3.68 -4.23 -0.09 -1.05 115.64 120.68 3giw s THR 164 Ca 0.25 -0.14 0.04 0.00 -1.18 0.00 0.00 61.69 60.66 3giw s THR 164 Cb -0.14 -3.06 0.16 0.00 1.34 0.00 0.00 72.50 70.81 3giw s THR 164 CO 0.18 0.35 0.38 -0.69 -0.54 0.00 0.00 174.62 174.30 3giw s VAL 165 N 1.48 1.72 -0.17 2.29 1.01 -0.11 -0.65 120.40 125.98 3giw s VAL 165 Ca 0.06 -3.35 -0.01 0.00 0.00 0.00 0.00 61.98 58.68 3giw s VAL 165 Cb -0.15 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 3giw s VAL 165 CO 0.04 -1.05 -0.11 -0.63 0.00 0.00 0.00 175.10 173.34 3giw s ILE 166 N -0.54 3.00 -1.42 2.22 1.01 -1.26 -3.04 121.20 121.17 3giw s ILE 166 Ca 0.26 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 60.18 3giw s ILE 166 Cb -0.06 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.12 3giw s ILE 166 CO -0.14 0.49 1.02 0.00 0.00 0.00 0.00 174.94 176.31 3giw n ALA 167 N 4.10 -1.21 0.00 9.38 0.00 -1.23 -4.84 120.51 126.71 3giw n ALA 167 Ca -0.19 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3giw n ALA 167 Cb 0.52 -5.06 0.00 0.00 0.00 0.00 0.00 19.45 14.91 3giw n ALA 167 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3giw n ILE 168 N -4.87 0.00 0.24 0.00 0.13 -1.26 -4.93 119.36 108.67 3giw n ILE 168 Ca -0.03 0.00 0.10 0.00 -1.10 0.00 0.00 62.75 61.72 3giw n ILE 168 Cb 0.58 -0.09 0.61 0.00 -0.84 0.00 0.00 39.64 39.90 3giw n ILE 168 CO 0.00 0.00 0.00 1.62 2.80 0.00 0.00 176.55 180.97 3giw h VAL 169 N 0.00 0.73 0.00 9.51 3.04 -1.86 -0.97 116.25 126.70 3giw h VAL 169 Ca 0.00 -0.75 0.00 0.00 -1.01 0.00 0.00 66.70 64.94 3giw h VAL 169 Cb 0.09 1.46 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 3giw h VAL 169 CO 0.00 0.18 0.00 0.00 -1.01 0.00 0.00 177.57 176.74 3giw n HIS 170 N -3.74 0.68 1.36 3.17 -0.00 -1.26 -1.35 115.22 114.08 3giw n HIS 170 Ca -0.02 0.29 0.14 0.00 -0.00 0.00 0.00 57.72 58.13 3giw n HIS 170 Cb 0.29 -0.97 0.47 0.00 -0.00 0.00 0.00 29.99 29.78 3giw n HIS 170 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 3giw n PHE 171 N -2.14 0.00 -3.47 -1.40 3.72 -0.37 -0.14 117.46 113.66 3giw n PHE 171 Ca 0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.00 3giw n PHE 171 Cb 0.16 -0.10 -0.10 0.00 -0.94 0.00 0.00 39.48 38.50 3giw n PHE 171 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3giw s VAL 172 N -2.35 5.24 0.48 -4.37 1.01 -0.46 -4.92 120.40 115.04 3giw s VAL 172 Ca 0.29 -0.26 -0.10 0.00 0.00 0.00 0.00 61.98 61.91 3giw s VAL 172 Cb 0.20 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.72 3giw s VAL 172 CO 0.46 -0.12 0.86 -0.76 0.00 0.00 0.00 175.10 175.54 3giw s LEU 173 N 1.81 3.64 0.39 3.92 2.01 -1.26 -4.62 118.68 124.57 3giw s LEU 173 Ca 0.08 1.21 0.14 0.00 0.01 0.00 0.00 54.13 55.57 3giw s LEU 173 Cb -0.17 -4.15 0.97 0.00 0.01 0.00 0.00 46.19 42.84 3giw s LEU 173 CO 0.11 -0.56 1.85 0.44 1.01 0.00 0.00 176.35 179.20 3giw h ASP 174 N 0.68 0.52 0.12 2.29 3.32 -1.98 -1.92 116.42 119.46 3giw h ASP 174 Ca -0.46 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.63 3giw h ASP 174 Cb 1.19 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 3giw h ASP 174 CO 0.63 0.22 -0.01 1.05 -1.72 0.00 0.00 179.24 179.40 3giw h GLU 175 N 0.53 0.00 -0.21 3.56 4.11 -2.04 -1.30 114.58 119.23 3giw h GLU 175 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.91 3giw h GLU 175 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 3giw h GLU 175 CO -0.21 0.01 0.00 -0.25 0.07 0.00 0.00 179.01 178.63 3giw n ASP 176 N -3.36 2.92 -3.09 3.06 8.00 -0.72 -5.02 116.55 118.35 3giw n ASP 176 Ca -0.03 -1.92 -0.06 0.00 0.71 0.00 0.00 54.79 53.49 3giw n ASP 176 Cb 0.11 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 3giw n ASP 176 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3giw n ASP 177 N 1.19 -7.47 -0.33 -2.24 2.03 -0.49 -4.67 116.55 104.57 3giw n ASP 177 Ca 0.17 0.02 0.06 0.00 0.52 0.00 0.00 54.79 55.55 3giw n ASP 177 Cb 0.55 -4.83 0.21 0.00 -0.72 0.00 0.00 41.12 36.33 3giw n ASP 177 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3giw h ALA 178 N 1.06 1.38 -0.35 -1.67 0.00 -1.81 -1.10 119.26 116.77 3giw h ALA 178 Ca -0.09 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3giw h ALA 178 Cb 1.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3giw h ALA 178 CO 0.27 0.16 0.16 0.28 0.00 0.00 0.00 179.25 180.12 3giw h VAL 179 N 0.90 1.18 -0.92 0.00 2.07 -1.97 -1.56 116.25 115.95 3giw h VAL 179 Ca 0.46 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.47 3giw h VAL 179 Cb 0.45 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 3giw h VAL 179 CO -0.26 0.19 0.61 1.23 0.02 0.00 0.00 177.57 179.35 3giw h GLY 180 N 0.43 1.29 0.82 2.17 0.00 -1.62 -1.47 103.07 104.69 3giw h GLY 180 Ca 0.12 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 3giw h GLY 180 CO -0.01 0.48 0.03 -2.22 0.00 0.00 0.00 176.54 174.81 3giw h ILE 181 N 1.24 1.18 -0.48 2.60 2.04 -1.01 0.34 117.51 123.43 3giw h ILE 181 Ca 0.34 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.64 3giw h ILE 181 Cb -0.14 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 3giw h ILE 181 CO -0.07 0.16 0.30 0.58 0.00 0.00 0.00 178.15 179.12 3giw h VAL 182 N -0.04 1.09 0.00 1.67 2.07 -1.15 -1.94 116.25 117.95 3giw h VAL 182 Ca 0.03 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 3giw h VAL 182 Cb 0.23 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3giw h VAL 182 CO -0.00 0.11 -0.40 0.03 0.02 0.00 0.00 177.57 177.33 3giw h ARG 183 N 0.61 0.00 -0.50 1.57 2.47 -1.13 -2.00 114.38 115.40 3giw h ARG 183 Ca 0.18 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.81 3giw h ARG 183 Cb -0.04 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 3giw h ARG 183 CO -0.06 0.40 -0.06 -0.09 0.56 0.00 0.00 179.97 180.72 3giw h ARG 184 N 0.00 0.89 -0.04 0.04 9.65 -0.45 -2.13 114.38 122.33 3giw h ARG 184 Ca -0.00 -0.29 -0.07 0.00 -1.10 0.00 0.00 59.98 58.52 3giw h ARG 184 Cb 0.87 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.36 3giw h ARG 184 CO 0.05 0.92 -0.31 -0.07 2.80 0.00 0.00 179.97 183.37 3giw h LEU 185 N 0.81 0.07 -0.18 3.80 3.38 -0.87 -3.07 115.31 119.24 3giw h LEU 185 Ca 0.14 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 3giw h LEU 185 Cb 0.57 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3giw h LEU 185 CO 0.03 0.37 -0.54 0.25 0.09 0.00 0.00 178.44 178.65 3giw h LEU 186 N 0.06 0.00 -0.54 1.67 5.85 -1.11 -3.38 115.31 117.87 3giw h LEU 186 Ca 0.01 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.83 3giw h LEU 186 Cb 0.57 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.50 3giw h LEU 186 CO 0.04 0.54 -0.32 -0.33 -0.34 0.00 0.00 178.44 178.03 3giw h GLU 187 N 0.00 -0.17 0.00 1.25 4.39 -1.29 -1.75 114.58 117.01 3giw h GLU 187 Ca -0.01 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3giw h GLU 187 Cb 1.34 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 3giw h GLU 187 CO 0.07 -0.12 0.00 -0.35 -1.16 0.00 0.00 179.01 177.45 3giw n PRO 188 N -5.43 0.35 -2.98 2.33 -0.04 -1.26 -4.78 135.00 123.20 3giw n PRO 188 Ca 0.03 0.07 -0.39 0.00 -0.04 0.00 0.00 63.50 63.17 3giw n PRO 188 Cb 0.35 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.25 3giw n PRO 188 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3giw s LEU 189 N -2.52 4.59 0.86 1.53 1.43 -0.66 -4.83 118.68 119.09 3giw s LEU 189 Ca 0.22 1.65 -0.12 0.00 -1.03 0.00 0.00 54.13 54.85 3giw s LEU 189 Cb 0.15 -3.30 0.11 0.00 0.03 0.00 0.00 46.19 43.18 3giw s LEU 189 CO 0.33 0.20 1.10 -2.16 0.23 0.00 0.00 176.35 176.06 3giw s PRO 190 N -1.11 1.54 0.19 1.29 0.04 -1.26 -4.90 135.00 130.78 3giw s PRO 190 Ca 0.36 0.62 -0.32 0.00 0.04 0.00 0.00 61.00 61.70 3giw s PRO 190 Cb -0.23 -1.86 -0.16 0.00 0.04 0.00 0.00 34.50 32.29 3giw s PRO 190 CO 0.26 -1.99 1.07 0.43 0.04 0.00 0.00 177.00 176.81 3giw n SER 191 N -3.68 1.03 0.00 6.66 7.64 -1.26 -1.40 113.62 122.60 3giw n SER 191 Ca 0.07 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.10 3giw n SER 191 Cb 0.57 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 3giw n SER 191 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3giw n GLY 192 N 1.85 0.71 3.71 0.23 0.00 0.17 -4.69 105.19 107.17 3giw n GLY 192 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3giw n GLY 192 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3giw s SER 193 N -2.69 3.10 0.11 1.61 0.01 -0.50 -4.73 113.70 110.62 3giw s SER 193 Ca 0.00 1.30 0.05 0.00 1.31 0.00 0.00 55.95 58.61 3giw s SER 193 Cb 0.00 -1.97 -0.04 0.00 0.21 0.00 0.00 66.02 64.22 3giw s SER 193 CO 0.00 -2.85 -0.12 -0.31 0.41 0.00 0.00 173.24 170.38 3giw s TYR 194 N -2.98 1.21 -0.12 2.43 1.51 -0.50 -0.27 117.35 118.63 3giw s TYR 194 Ca 0.64 -0.62 0.03 0.00 -1.01 0.00 0.00 57.07 56.11 3giw s TYR 194 Cb -0.18 -0.64 -0.00 0.00 -0.11 0.00 0.00 41.96 41.03 3giw s TYR 194 CO 0.57 0.06 -0.21 -1.17 -1.11 0.00 0.00 175.55 173.69 3giw s LEU 195 N -2.49 2.23 0.21 -1.29 2.96 -0.18 -0.55 118.68 119.57 3giw s LEU 195 Ca 0.07 -0.53 0.08 0.00 -0.22 0.00 0.00 54.13 53.53 3giw s LEU 195 Cb -0.03 -1.46 -0.05 0.00 0.50 0.00 0.00 46.19 45.14 3giw s LEU 195 CO 0.01 0.14 -0.13 0.00 -1.32 0.00 0.00 176.35 175.04 3giw s ALA 196 N 0.50 2.04 -0.03 5.97 0.00 -0.22 -0.95 121.76 129.07 3giw s ALA 196 Ca -0.14 -1.68 0.02 0.00 0.00 0.00 0.00 51.96 50.16 3giw s ALA 196 Cb -0.17 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 22.91 3giw s ALA 196 CO 0.05 0.05 -0.07 -1.54 0.00 0.00 0.00 175.76 174.25 3giw s SER 198 N -3.33 0.96 -0.11 0.00 1.04 -1.17 -0.93 113.70 110.17 3giw s SER 198 Ca 0.23 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.52 3giw s SER 198 Cb -0.00 -0.30 0.02 0.00 0.10 0.00 0.00 66.02 65.84 3giw s SER 198 CO 0.07 0.03 -0.09 -0.63 0.98 0.00 0.00 173.24 173.60 3giw s ILE 199 N 0.35 1.07 0.33 -1.02 1.01 0.24 -3.48 121.20 119.70 3giw s ILE 199 Ca -0.05 -0.34 -0.28 0.00 0.00 0.00 0.00 60.65 59.98 3giw s ILE 199 Cb -0.09 -1.06 -0.10 0.00 0.01 0.00 0.00 42.46 41.22 3giw s ILE 199 CO 0.00 0.37 1.24 -0.83 0.00 0.00 0.00 174.94 175.72 3giw s GLY 200 N 1.50 3.00 0.01 6.18 0.00 -1.26 -0.87 107.32 115.87 3giw s GLY 200 Ca 0.01 1.14 -0.01 0.00 0.00 0.00 0.00 44.72 45.87 3giw s GLY 200 CO -0.06 1.76 0.01 -1.08 0.00 0.00 0.00 173.10 173.73 3giw s THR 201 N -1.18 0.06 -2.63 0.90 -1.32 -0.18 -1.22 115.64 110.08 3giw s THR 201 Ca 0.49 -0.52 0.24 0.00 -1.21 0.00 0.00 61.69 60.69 3giw s THR 201 Cb -0.37 -0.18 0.36 0.00 -1.51 0.00 0.00 72.50 70.80 3giw s THR 201 CO 0.48 -0.28 1.40 0.00 -2.21 0.00 0.00 174.62 174.01 3giw n ALA 202 N 2.20 2.45 0.27 11.08 0.00 -1.26 -4.68 120.51 130.56 3giw n ALA 202 Ca -0.19 -0.81 0.13 0.00 0.00 0.00 0.00 53.44 52.57 3giw n ALA 202 Cb 0.57 -0.90 0.73 0.00 0.00 0.00 0.00 19.45 19.86 3giw n ALA 202 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3giw h GLU 203 N 4.16 0.00 0.00 0.00 5.08 -1.96 -2.64 114.58 119.21 3giw h GLU 203 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3giw h GLU 203 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3giw h GLU 203 CO 0.00 0.11 -1.31 1.19 -1.00 0.00 0.00 179.01 178.01 3giw n PHE 204 N -3.63 0.07 -2.89 4.33 3.72 -1.26 -4.67 117.46 113.13 3giw n PHE 204 Ca -0.02 0.02 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 3giw n PHE 204 Cb 0.23 -0.26 0.02 0.00 -0.94 0.00 0.00 39.48 38.53 3giw n PHE 204 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3giw n ALA 205 N -1.81 -0.14 -0.16 4.37 0.00 -1.14 -4.27 120.51 117.35 3giw n ALA 205 Ca 0.01 -2.04 -0.03 0.00 0.00 0.00 0.00 53.44 51.38 3giw n ALA 205 Cb 0.43 -1.15 0.06 0.00 0.00 0.00 0.00 19.45 18.79 3giw n ALA 205 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3giw h PRO 206 N 3.78 0.31 0.13 0.00 0.11 -1.74 -0.86 132.00 133.73 3giw h PRO 206 Ca -0.07 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 3giw h PRO 206 Cb 1.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3giw h PRO 206 CO 0.34 0.21 -0.06 0.37 -0.21 0.00 0.00 178.00 178.65 3giw h GLN 207 N 0.32 -0.17 -0.21 1.05 4.15 -1.97 -0.30 115.11 117.98 3giw h GLN 207 Ca 0.24 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.63 3giw h GLN 207 Cb 0.28 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 3giw h GLN 207 CO -0.27 0.14 -0.05 0.93 -1.93 0.00 0.00 178.83 177.66 3giw h GLU 208 N -0.49 0.41 -0.52 1.69 3.07 -1.82 -1.26 114.58 115.65 3giw h GLU 208 Ca -0.02 -0.16 -0.12 0.00 -0.50 0.00 0.00 59.36 58.56 3giw h GLU 208 Cb 0.39 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 3giw h GLU 208 CO 0.03 0.65 -0.16 0.28 -1.40 0.00 0.00 179.01 178.42 3giw h VAL 209 N 0.14 1.27 -0.57 3.13 2.07 -1.25 -1.57 116.25 119.47 3giw h VAL 209 Ca 0.05 -1.32 0.05 0.00 0.82 0.00 0.00 66.70 66.31 3giw h VAL 209 Cb 0.50 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 3giw h VAL 209 CO 0.02 0.46 0.29 1.23 0.02 0.00 0.00 177.57 179.59 3giw h GLY 210 N 0.90 0.81 1.02 2.17 0.00 -0.98 0.55 103.07 107.54 3giw h GLY 210 Ca 0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 3giw h GLY 210 CO 0.06 0.11 0.42 3.21 0.00 0.00 0.00 176.54 180.34 3giw h ARG 211 N 0.54 1.14 -0.47 4.80 2.47 -1.02 -1.28 114.38 120.57 3giw h ARG 211 Ca 0.26 -0.15 -0.00 0.00 -1.26 0.00 0.00 59.98 58.83 3giw h ARG 211 Cb 0.18 -0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 3giw h ARG 211 CO -0.18 0.86 0.28 0.28 0.56 0.00 0.00 179.97 181.77 3giw h VAL 212 N 1.13 1.14 -0.85 2.04 2.07 -0.75 -1.07 116.25 119.96 3giw h VAL 212 Ca 0.28 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3giw h VAL 212 Cb 0.06 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 3giw h VAL 212 CO -0.04 0.15 0.53 0.00 0.02 0.00 0.00 177.57 178.23 3giw h ALA 213 N 1.13 1.34 0.00 1.67 0.00 -0.56 -1.19 119.26 121.66 3giw h ALA 213 Ca 0.17 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3giw h ALA 213 Cb -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3giw h ALA 213 CO -0.03 0.59 -0.45 0.00 0.00 0.00 0.00 179.25 179.36 3giw h ARG 214 N 1.17 0.00 -0.50 0.00 3.08 -0.79 -1.09 114.38 116.24 3giw h ARG 214 Ca 0.31 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.27 3giw h ARG 214 Cb -0.08 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3giw h ARG 214 CO -0.06 0.45 -0.05 0.93 -1.07 0.00 0.00 179.97 180.17 3giw h GLU 215 N 0.00 0.92 -0.27 0.04 4.39 -0.06 -0.84 114.58 118.77 3giw h GLU 215 Ca -0.00 -0.32 0.02 0.00 0.34 0.00 0.00 59.36 59.39 3giw h GLU 215 Cb 0.86 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 3giw h GLU 215 CO 0.06 0.97 0.14 1.88 -1.16 0.00 0.00 179.01 180.90 3giw h TYR 216 N 0.78 0.25 -0.79 4.33 0.05 -0.97 -2.87 116.97 117.76 3giw h TYR 216 Ca 0.14 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.94 3giw h TYR 216 Cb 0.59 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 38.21 3giw h TYR 216 CO 0.04 0.14 0.52 0.00 -1.05 0.00 0.00 178.16 177.82 3giw h ALA 217 N 1.13 1.46 0.00 3.88 0.00 -1.10 -1.84 119.26 122.79 3giw h ALA 217 Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3giw h ALA 217 Cb 0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3giw h ALA 217 CO -0.07 0.49 -0.02 0.00 0.00 0.00 0.00 179.25 179.65 3giw h ALA 218 N 1.52 1.03 -0.51 0.00 0.00 -0.98 -1.88 119.26 118.43 3giw h ALA 218 Ca 0.30 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.97 3giw h ALA 218 Cb -0.08 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.58 3giw h ALA 218 CO -0.07 0.03 0.12 0.54 0.00 0.00 0.00 179.25 179.87 3giw n ARG 219 N -3.15 2.36 -2.58 0.00 1.74 -0.71 -5.10 116.66 109.22 3giw n ARG 219 Ca -0.01 -3.08 -0.04 0.00 -0.77 0.00 0.00 57.85 53.95 3giw n ARG 219 Cb 0.24 -1.94 0.01 0.00 -1.02 0.00 0.00 32.46 29.74 3giw n ARG 219 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3giw n ASN 220 N -0.89 -6.96 -1.42 0.55 5.03 -0.71 -4.84 115.26 106.02 3giw n ASN 220 Ca 0.37 0.69 -0.01 0.00 0.87 0.00 0.00 54.58 56.50 3giw n ASN 220 Cb 1.18 -4.63 0.01 0.00 -1.02 0.00 0.00 39.78 35.31 3giw n ASN 220 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 3giw n PRO 222 N -0.03 0.20 -3.18 3.52 -0.04 -1.26 -5.00 135.00 129.21 3giw n PRO 222 Ca 0.07 -0.42 0.01 0.00 -0.04 0.00 0.00 63.50 63.12 3giw n PRO 222 Cb 0.25 0.53 -0.01 0.00 -0.04 0.00 0.00 33.50 34.23 3giw n PRO 222 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3giw s ARG 224 N -2.02 0.53 0.17 0.54 6.06 0.80 -4.60 118.95 120.44 3giw s ARG 224 Ca 0.04 0.54 -0.20 0.00 -2.50 0.00 0.00 55.73 53.61 3giw s ARG 224 Cb -0.01 0.18 -0.08 0.00 0.06 0.00 0.00 34.95 35.10 3giw s ARG 224 CO 0.02 -0.97 0.67 -0.51 -2.50 0.00 0.00 175.30 172.01 3giw s LEU 225 N 2.78 4.43 0.12 -0.88 1.43 -1.26 -4.47 118.68 120.82 3giw s LEU 225 Ca 0.12 1.38 0.10 0.00 -1.03 0.00 0.00 54.13 54.69 3giw s LEU 225 Cb -0.11 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 3giw s LEU 225 CO -0.26 0.13 -0.24 -0.13 0.23 0.00 0.00 176.35 176.08 3giw s ARG 226 N -1.62 1.30 0.85 1.70 0.52 -0.36 -4.86 118.95 116.47 3giw s ARG 226 Ca 0.38 -1.26 -0.12 0.00 -0.52 0.00 0.00 55.73 54.20 3giw s ARG 226 Cb -0.18 -1.69 0.10 0.00 0.52 0.00 0.00 34.95 33.70 3giw s ARG 226 CO 0.21 0.40 1.16 0.95 0.02 0.00 0.00 175.30 178.04 3giw s THR 227 N -1.09 2.08 0.20 0.02 -4.23 -1.26 -4.28 115.64 107.07 3giw s THR 227 Ca 0.11 0.03 -0.11 0.00 -1.18 0.00 0.00 61.69 60.54 3giw s THR 227 Cb -0.10 -2.92 0.12 0.00 1.34 0.00 0.00 72.50 70.94 3giw s THR 227 CO 0.05 -0.03 1.78 -0.74 -0.54 0.00 0.00 174.62 175.14 3giw h HIS 228 N -1.22 0.52 -0.93 3.99 2.76 -1.99 -0.46 115.15 117.83 3giw h HIS 228 Ca -0.48 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 57.77 3giw h HIS 228 Cb 1.33 -0.15 -0.06 0.00 1.55 0.00 0.00 27.41 30.08 3giw h HIS 228 CO 0.31 0.22 0.59 0.00 -1.30 0.00 0.00 177.93 177.76 3giw h ALA 229 N 1.34 1.26 -0.29 5.26 0.00 -2.00 -0.89 119.26 123.95 3giw h ALA 229 Ca 0.28 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 3giw h ALA 229 Cb 0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3giw h ALA 229 CO -0.21 0.41 -0.34 0.93 0.00 0.00 0.00 179.25 180.04 3giw h GLU 230 N 1.11 0.63 -0.52 0.00 5.08 -1.80 -2.84 114.58 116.25 3giw h GLU 230 Ca 0.39 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3giw h GLU 230 Cb 0.10 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3giw h GLU 230 CO -0.15 0.88 0.21 0.00 -1.00 0.00 0.00 179.01 178.95 3giw h ALA 231 N 1.10 1.40 -0.00 3.43 0.00 -0.37 -2.60 119.26 122.21 3giw h ALA 231 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3giw h ALA 231 Cb 0.84 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3giw h ALA 231 CO 0.07 0.46 0.00 0.93 0.00 0.00 0.00 179.25 180.71 3giw h GLU 232 N 0.74 0.00 -0.80 0.00 5.08 -0.93 -2.65 114.58 116.02 3giw h GLU 232 Ca 0.18 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.59 3giw h GLU 232 Cb 0.14 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 3giw h GLU 232 CO -0.02 0.00 0.53 1.49 -1.00 0.00 0.00 179.01 180.01 3giw h GLU 233 N 0.00 0.92 0.00 2.33 4.81 -1.47 -0.88 114.58 120.29 3giw h GLU 233 Ca 0.00 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3giw h GLU 233 Cb 0.01 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 3giw h GLU 233 CO -0.00 0.61 -0.01 0.74 -0.73 0.00 0.00 179.01 179.62 3giw h PHE 234 N 0.94 0.00 -0.22 0.92 0.04 -1.63 -3.16 116.94 113.84 3giw h PHE 234 Ca 0.33 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.10 3giw h PHE 234 Cb 0.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.27 3giw h PHE 234 CO -0.00 0.01 0.00 1.19 -0.60 0.00 0.00 178.31 178.91 3giw n PHE 235 N -3.85 0.28 -1.70 -0.55 3.72 -0.35 -4.96 117.46 110.05 3giw n PHE 235 Ca -0.03 -0.26 -0.44 0.00 -0.05 0.00 0.00 57.45 56.67 3giw n PHE 235 Cb 0.09 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 3giw n PHE 235 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3giw n GLU 236 N 0.68 2.46 -0.24 -1.08 -0.58 -1.09 -1.36 120.64 119.43 3giw n GLU 236 Ca 0.10 0.88 0.00 0.00 -0.42 0.00 0.00 57.16 57.73 3giw n GLU 236 Cb 0.39 -2.66 0.00 0.00 -0.57 0.00 0.00 31.44 28.60 3giw n GLU 236 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3giw n GLY 237 N 3.03 2.17 3.90 0.62 0.00 -1.26 -5.03 105.19 108.63 3giw n GLY 237 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 3giw n GLY 237 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3giw s LEU 238 N 0.00 3.85 -0.45 0.99 1.43 -0.46 -4.64 118.68 119.40 3giw s LEU 238 Ca 0.00 -0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 52.72 3giw s LEU 238 Cb 0.00 -2.48 0.09 0.00 0.03 0.00 0.00 46.19 43.84 3giw s LEU 238 CO 0.00 -0.27 0.31 -1.61 0.23 0.00 0.00 176.35 175.01 3giw s GLU 239 N -4.01 2.60 0.25 1.70 2.02 0.09 -4.90 118.70 116.45 3giw s GLU 239 Ca 0.39 -1.57 -0.30 0.00 0.02 0.00 0.00 54.97 53.51 3giw s GLU 239 Cb -0.08 -3.88 -0.10 0.00 0.10 0.00 0.00 34.13 30.17 3giw s GLU 239 CO 0.28 -1.06 1.44 -0.51 0.02 0.00 0.00 175.26 175.43 3giw s LEU 240 N 1.43 4.39 0.15 1.80 1.43 -1.26 -0.75 118.68 125.86 3giw s LEU 240 Ca 0.04 2.66 -0.30 0.00 -1.03 0.00 0.00 54.13 55.50 3giw s LEU 240 Cb -0.25 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.28 3giw s LEU 240 CO 0.01 -0.70 1.21 -0.69 0.23 0.00 0.00 176.35 176.42 3giw s VAL 241 N 0.01 3.67 0.47 -1.59 1.01 0.30 -4.84 120.40 119.44 3giw s VAL 241 Ca 0.59 1.33 -0.24 0.00 0.00 0.00 0.00 61.98 63.66 3giw s VAL 241 Cb -0.42 -3.85 -0.08 0.00 0.00 0.00 0.00 36.38 32.03 3giw s VAL 241 CO 0.43 0.18 1.40 -1.84 0.00 0.00 0.00 175.10 175.27 3giw n GLU 242 N 2.99 2.09 -0.43 2.72 -0.00 -1.26 -0.90 120.64 125.85 3giw n GLU 242 Ca 0.06 0.75 0.03 0.00 -0.00 0.00 0.00 57.16 58.00 3giw n GLU 242 Cb 0.45 -2.60 0.20 0.00 -0.00 0.00 0.00 31.44 29.49 3giw n GLU 242 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 3giw n PRO 243 N -0.37 2.87 0.00 3.44 -0.04 -1.26 -4.93 135.00 134.71 3giw n PRO 243 Ca 0.07 -1.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.00 3giw n PRO 243 Cb 0.42 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 3giw n PRO 243 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3giw n GLY 244 N 0.33 0.17 3.46 0.55 0.00 -0.08 -4.75 105.19 104.87 3giw n GLY 244 Ca 0.13 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 3giw n GLY 244 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3giw s ILE 245 N 0.00 5.04 0.10 -0.61 1.01 -1.26 -4.47 121.20 121.00 3giw s ILE 245 Ca 0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 60.65 60.13 3giw s ILE 245 Cb 0.00 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 3giw s ILE 245 CO 0.00 -0.58 0.00 0.68 0.00 0.00 0.00 174.94 175.04 3giw s VAL 246 N 2.22 0.26 0.33 2.92 -7.23 -0.97 -4.94 120.40 112.99 3giw s VAL 246 Ca 0.12 -1.87 -0.28 0.00 -1.81 0.00 0.00 61.98 58.14 3giw s VAL 246 Cb -0.19 -1.78 -0.13 0.00 0.56 0.00 0.00 36.38 34.84 3giw s VAL 246 CO 0.12 -0.74 1.20 0.00 -0.31 0.00 0.00 175.10 175.36 3giw n GLN 247 N -0.01 1.87 -0.07 4.82 6.02 -1.26 -0.48 117.38 128.27 3giw n GLN 247 Ca -0.10 0.66 0.11 0.00 -0.01 0.00 0.00 57.00 57.66 3giw n GLN 247 Cb 0.62 -2.18 0.49 0.00 1.02 0.00 0.00 30.24 30.19 3giw n GLN 247 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 3giw h VAL 248 N 2.34 0.92 0.00 5.09 -1.51 -1.89 0.15 116.25 121.34 3giw h VAL 248 Ca -0.44 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 3giw h VAL 248 Cb 1.30 0.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 3giw h VAL 248 CO 0.62 0.08 0.00 0.00 -1.23 0.00 0.00 177.57 177.03 3giw n HIS 249 N -4.47 0.00 0.88 5.19 1.44 -1.26 -2.36 115.22 114.63 3giw n HIS 249 Ca 0.09 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.91 3giw n HIS 249 Cb 0.34 -0.43 0.10 0.00 0.12 0.00 0.00 29.99 30.12 3giw n HIS 249 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3giw n LYS 250 N -1.43 2.16 -3.13 -1.40 5.02 0.04 -4.54 118.16 114.87 3giw n LYS 250 Ca 0.07 -1.88 -0.43 0.00 -2.02 0.00 0.00 58.31 54.04 3giw n LYS 250 Cb 0.23 -1.44 -0.07 0.00 -0.02 0.00 0.00 35.03 33.74 3giw n LYS 250 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 3giw s TRP 251 N -1.84 3.06 -1.32 2.13 -0.00 -0.99 -4.51 118.94 115.46 3giw s TRP 251 Ca 0.27 -0.23 -0.16 0.00 -0.00 0.00 0.00 56.10 55.98 3giw s TRP 251 Cb 0.19 -3.39 0.01 0.00 -0.00 0.00 0.00 33.47 30.28 3giw s TRP 251 CO 0.28 -0.93 0.48 0.72 -0.00 0.00 0.00 176.95 177.51 3giw n HIS 252 N 6.23 -1.52 -2.06 5.86 8.25 -1.26 -4.87 115.22 125.85 3giw n HIS 252 Ca -0.03 0.42 -0.37 0.00 -0.26 0.00 0.00 57.72 57.48 3giw n HIS 252 Cb 0.47 -3.13 0.01 0.00 1.12 0.00 0.00 29.99 28.46 3giw n HIS 252 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3giw s PRO 253 N -6.94 3.41 0.90 -0.41 0.04 -1.26 -5.04 135.00 125.70 3giw s PRO 253 Ca 0.26 1.93 -0.13 0.00 0.04 0.00 0.00 61.00 63.10 3giw s PRO 253 Cb -0.13 -2.26 0.16 0.00 0.04 0.00 0.00 34.50 32.31 3giw s PRO 253 CO 0.94 -0.88 1.25 -0.51 0.04 0.00 0.00 177.00 177.83 3giw s ASP 254 N -1.27 3.60 0.45 6.66 1.01 -1.26 -4.93 116.67 120.93 3giw s ASP 254 Ca 0.69 0.34 0.21 0.00 0.71 0.00 0.00 52.55 54.49 3giw s ASP 254 Cb -0.33 -0.54 1.18 0.00 1.01 0.00 0.00 42.92 44.25 3giw s ASP 254 CO 0.38 -2.43 1.87 0.00 0.21 0.00 0.00 175.17 175.21 3giw h ALA 255 N -1.37 2.35 -0.02 5.23 0.00 -2.04 -2.43 119.26 120.98 3giw h ALA 255 Ca -0.44 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3giw h ALA 255 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3giw h ALA 255 CO 0.45 -0.61 -0.22 0.00 0.00 0.00 0.00 179.25 178.87 3giw n ALA 256 N -2.56 2.93 -0.31 0.00 0.00 -1.26 -4.75 120.51 114.55 3giw n ALA 256 Ca 0.18 -0.58 0.11 0.00 0.00 0.00 0.00 53.44 53.15 3giw n ALA 256 Cb 0.73 -0.58 0.28 0.00 0.00 0.00 0.00 19.45 19.88 3giw n ALA 256 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3giw h THR 257 N 2.43 0.65 -0.37 0.00 2.02 -1.79 -2.26 112.91 113.58 3giw h THR 257 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3giw h THR 257 Cb 0.62 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 3giw h THR 257 CO 0.00 0.11 0.00 0.00 0.37 0.00 0.00 175.52 176.00 3giw n ALA 258 N -2.42 2.76 -1.61 6.16 0.00 -1.26 -4.95 120.51 119.19 3giw n ALA 258 Ca 0.20 -1.76 -0.44 0.00 0.00 0.00 0.00 53.44 51.44 3giw n ALA 258 Cb 0.54 -0.69 -0.04 0.00 0.00 0.00 0.00 19.45 19.27 3giw n ALA 258 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3giw n ASP 259 N 0.19 3.38 -0.35 0.00 3.85 -0.85 -1.61 116.55 121.16 3giw n ASP 259 Ca 0.19 0.50 -0.05 0.00 -0.71 0.00 0.00 54.79 54.72 3giw n ASP 259 Cb 0.74 -1.49 -0.02 0.00 -1.35 0.00 0.00 41.12 39.00 3giw n ASP 259 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3giw n GLY 260 N 5.39 0.66 3.51 6.12 0.00 -1.26 -5.01 105.19 114.60 3giw n GLY 260 Ca 0.28 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3giw n GLY 260 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3giw s ILE 261 N -1.91 4.70 0.44 -0.61 1.01 -0.64 -5.09 121.20 119.10 3giw s ILE 261 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.54 3giw s ILE 261 Cb 0.00 -3.21 -0.05 0.00 0.01 0.00 0.00 42.46 39.21 3giw s ILE 261 CO 0.00 0.32 0.76 -0.13 0.00 0.00 0.00 174.94 175.89 3giw s ARG 262 N 1.59 3.65 0.38 2.79 0.52 -1.26 -4.99 118.95 121.62 3giw s ARG 262 Ca 0.06 0.30 0.06 0.00 -0.52 0.00 0.00 55.73 55.64 3giw s ARG 262 Cb -0.15 -2.40 0.77 0.00 0.52 0.00 0.00 34.95 33.69 3giw s ARG 262 CO 0.06 -0.11 2.00 -0.44 0.02 0.00 0.00 175.30 176.83 3giw h ASP 263 N 0.75 0.60 0.65 0.23 3.32 -1.95 -1.03 116.42 118.98 3giw h ASP 263 Ca -0.47 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3giw h ASP 263 Cb 1.20 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.61 3giw h ASP 263 CO 0.63 0.41 0.00 1.05 -1.72 0.00 0.00 179.24 179.61 3giw h GLU 264 N 0.69 0.00 -0.01 3.56 4.11 -1.95 -2.79 114.58 118.19 3giw h GLU 264 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.67 3giw h GLU 264 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3giw h GLU 264 CO -0.07 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.76 3giw n ASP 265 N -2.35 0.74 -3.92 3.06 8.00 -0.39 -4.58 116.55 117.11 3giw n ASP 265 Ca 0.01 -1.27 -0.25 0.00 0.71 0.00 0.00 54.79 53.99 3giw n ASP 265 Cb 0.21 -0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.13 3giw n ASP 265 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3giw s ILE 266 N -1.99 0.95 -0.67 0.53 -1.09 -1.06 -3.47 121.20 114.41 3giw s ILE 266 Ca 0.42 -0.28 0.05 0.00 -2.23 0.00 0.00 60.65 58.61 3giw s ILE 266 Cb 0.21 -0.96 0.18 0.00 -1.58 0.00 0.00 42.46 40.31 3giw s ILE 266 CO 0.34 0.34 0.52 0.00 -1.23 0.00 0.00 174.94 174.92 3giw n ALA 267 N 4.66 3.46 -2.57 9.38 0.00 -1.26 -4.83 120.51 129.35 3giw n ALA 267 Ca -0.15 -4.44 -0.23 0.00 0.00 0.00 0.00 53.44 48.62 3giw n ALA 267 Cb 0.50 -0.99 -0.13 0.00 0.00 0.00 0.00 19.45 18.83 3giw n ALA 267 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3giw s TYR 269 N -1.49 1.56 0.07 0.00 2.02 -0.05 -1.01 117.35 118.45 3giw s TYR 269 Ca 0.28 -0.38 0.06 0.00 -0.37 0.00 0.00 57.07 56.66 3giw s TYR 269 Cb -0.01 -0.91 -0.03 0.00 -0.40 0.00 0.00 41.96 40.61 3giw s TYR 269 CO -0.15 0.09 -0.17 0.20 -1.57 0.00 0.00 175.55 173.95 3giw s GLY 270 N -1.34 0.97 -0.04 0.71 0.00 0.37 -0.59 107.32 107.39 3giw s GLY 270 Ca 0.05 -1.02 -0.30 0.00 0.00 0.00 0.00 44.72 43.45 3giw s GLY 270 CO 0.02 -1.01 0.72 0.00 0.00 0.00 0.00 173.10 172.83 3giw s ALA 271 N -1.07 -1.77 -0.01 3.20 0.00 -1.26 -2.29 121.76 118.55 3giw s ALA 271 Ca 0.02 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.25 3giw s ALA 271 Cb -0.09 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.04 3giw s ALA 271 CO 0.02 -0.41 -0.05 0.08 0.00 0.00 0.00 175.76 175.40 3giw s VAL 272 N -1.52 0.46 -0.03 0.00 1.01 -1.26 -4.32 120.40 114.75 3giw s VAL 272 Ca -0.08 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 3giw s VAL 272 Cb -0.00 -0.42 0.02 0.00 0.00 0.00 0.00 36.38 35.98 3giw s VAL 272 CO 0.06 0.15 0.24 0.00 0.00 0.00 0.00 175.10 175.55 3giw s ALA 273 N 0.17 -0.59 -0.02 5.51 0.00 -0.13 -0.54 121.76 126.17 3giw s ALA 273 Ca -0.02 0.28 -0.12 0.00 0.00 0.00 0.00 51.96 52.10 3giw s ALA 273 Cb -0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 3giw s ALA 273 CO -0.00 -0.21 0.34 0.50 0.00 0.00 0.00 175.76 176.39 3giw s ARG 274 N -0.96 3.77 -0.25 0.00 3.52 0.07 -1.01 118.95 124.09 3giw s ARG 274 Ca -0.10 0.23 -0.23 0.00 -0.13 0.00 0.00 55.73 55.49 3giw s ARG 274 Cb -0.05 -3.18 -0.01 0.00 -1.56 0.00 0.00 34.95 30.15 3giw s ARG 274 CO 0.02 0.69 0.78 0.21 -0.81 0.00 0.00 175.30 176.19 3giw s LYS 275 N -1.22 4.15 0.00 5.12 2.20 0.62 -0.73 119.74 129.88 3giw s LYS 275 Ca 0.23 0.82 0.01 0.00 -0.36 0.00 0.00 55.97 56.67 3giw s LYS 275 Cb -0.15 -3.65 0.08 0.00 -1.51 0.00 0.00 37.83 32.59 3giw s LYS 275 CO 0.12 -0.51 0.57 -2.30 -0.36 0.00 0.00 175.35 172.88