#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g17 s SER 4 N 0.00 6.47 -0.05 -1.43 1.04 -1.26 -4.96 113.70 113.51 3g17 s SER 4 Ca 0.00 0.56 -0.01 0.00 0.48 0.00 0.00 55.95 56.98 3g17 s SER 4 Cb 0.00 -2.08 0.03 0.00 0.10 0.00 0.00 66.02 64.07 3g17 s SER 4 CO 0.00 0.02 0.01 -0.69 0.98 0.00 0.00 173.24 173.56 3g17 s VAL 5 N -1.71 0.24 0.06 5.02 1.01 -1.26 -0.97 120.40 122.79 3g17 s VAL 5 Ca 0.41 0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.62 3g17 s VAL 5 Cb -0.12 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 3g17 s VAL 5 CO 0.26 0.21 -0.17 0.00 0.00 0.00 0.00 175.10 175.40 3g17 s ALA 6 N 1.69 2.64 -0.16 5.51 0.00 -0.30 -1.45 121.76 129.70 3g17 s ALA 6 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.74 3g17 s ALA 6 Cb -0.13 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.25 3g17 s ALA 6 CO -0.03 0.58 -0.16 0.42 0.00 0.00 0.00 175.76 176.57 3g17 s ILE 7 N -0.98 2.57 -0.25 0.00 1.09 0.14 -0.74 121.20 123.03 3g17 s ILE 7 Ca 0.16 -0.80 -0.08 0.00 -1.10 0.00 0.00 60.65 58.83 3g17 s ILE 7 Cb -0.11 -2.08 -0.04 0.00 -1.06 0.00 0.00 42.46 39.17 3g17 s ILE 7 CO 0.07 0.52 0.10 -0.63 -0.10 0.00 0.00 174.94 174.89 3g17 s ILE 8 N 0.92 4.63 0.00 2.92 1.01 0.53 0.90 121.20 132.12 3g17 s ILE 8 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.55 3g17 s ILE 8 Cb -0.15 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.15 3g17 s ILE 8 CO -0.02 0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.87 3g17 n GLY 9 N 4.73 1.03 1.89 6.18 0.00 0.65 0.08 105.19 119.75 3g17 n GLY 9 Ca -0.16 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 3g17 n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3g17 n PRO 10 N 0.13 1.74 -0.10 1.61 -0.04 -1.26 -3.87 135.00 133.21 3g17 n PRO 10 Ca 0.00 -0.82 0.00 0.00 -0.04 0.00 0.00 63.50 62.64 3g17 n PRO 10 Cb 0.00 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 3g17 n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g17 n GLY 11 N 2.05 -0.51 0.09 0.55 0.00 -1.26 -4.68 105.19 101.43 3g17 n GLY 11 Ca 0.31 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 3g17 n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g17 h ALA 12 N -1.68 0.17 -0.06 4.61 0.00 -1.88 -1.28 119.26 119.14 3g17 h ALA 12 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3g17 h ALA 12 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3g17 h ALA 12 CO 0.00 -0.38 0.00 0.28 0.00 0.00 0.00 179.25 179.15 3g17 h VAL 13 N 0.14 1.24 -0.72 0.00 2.07 -1.89 -2.40 116.25 114.69 3g17 h VAL 13 Ca 0.06 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 3g17 h VAL 13 Cb 0.03 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 3g17 h VAL 13 CO -0.06 0.21 0.37 1.23 0.02 0.00 0.00 177.57 179.34 3g17 h GLY 14 N -0.18 1.08 1.01 2.17 0.00 -1.65 -1.54 103.07 103.95 3g17 h GLY 14 Ca 0.02 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 3g17 h GLY 14 CO 0.00 0.49 0.07 -0.84 0.00 0.00 0.00 176.54 176.25 3g17 h THR 15 N 0.99 1.26 -0.20 4.70 2.02 -1.28 -0.48 112.91 119.92 3g17 h THR 15 Ca 0.25 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 3g17 h THR 15 Cb 0.07 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 3g17 h THR 15 CO -0.04 0.36 0.12 0.74 0.37 0.00 0.00 175.52 177.07 3g17 h THR 16 N 0.78 1.09 -0.79 3.16 2.02 -1.24 0.23 112.91 118.15 3g17 h THR 16 Ca 0.16 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 3g17 h THR 16 Cb 0.44 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 3g17 h THR 16 CO 0.01 0.08 0.44 0.40 0.37 0.00 0.00 175.52 176.83 3g17 h ILE 17 N 0.23 1.23 0.10 3.11 2.04 -1.14 -1.30 117.51 121.78 3g17 h ILE 17 Ca 0.07 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 3g17 h ILE 17 Cb 0.03 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 3g17 h ILE 17 CO -0.01 0.26 -0.05 0.00 0.00 0.00 0.00 178.15 178.35 3g17 h ALA 18 N 1.23 -0.13 -0.32 1.87 0.00 -0.73 -1.56 119.26 119.62 3g17 h ALA 18 Ca 0.28 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3g17 h ALA 18 Cb 0.02 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 3g17 h ALA 18 CO -0.05 -0.35 -0.42 -0.92 0.00 0.00 0.00 179.25 177.52 3g17 h TYR 19 N -0.59 -1.21 -0.81 0.00 3.20 -0.46 -0.61 116.97 116.50 3g17 h TYR 19 Ca -0.01 0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 3g17 h TYR 19 Cb 0.47 0.57 -0.04 0.00 1.54 0.00 0.00 36.73 39.28 3g17 h TYR 19 CO 0.07 -0.45 0.35 0.93 -1.64 0.00 0.00 178.16 177.42 3g17 h GLU 20 N -0.37 1.20 -0.00 1.82 4.39 -1.25 -2.30 114.58 118.05 3g17 h GLU 20 Ca 0.12 -0.20 -0.12 0.00 0.34 0.00 0.00 59.36 59.49 3g17 h GLU 20 Cb 0.59 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 3g17 h GLU 20 CO -0.51 0.95 -0.58 -0.07 -1.16 0.00 0.00 179.01 177.63 3g17 h LEU 21 N 1.17 0.02 -1.47 1.33 3.38 -1.10 -3.24 115.31 115.40 3g17 h LEU 21 Ca 0.27 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3g17 h LEU 21 Cb 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3g17 h LEU 21 CO -0.03 0.60 0.00 1.56 0.09 0.00 0.00 178.44 180.66 3g17 h GLN 22 N 0.01 0.00 -0.36 1.13 4.20 -0.52 0.11 115.11 119.69 3g17 h GLN 22 Ca -0.01 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 3g17 h GLN 22 Cb 1.04 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 3g17 h GLN 22 CO 0.08 0.00 -0.03 1.96 -0.67 0.00 0.00 178.83 180.17 3g17 h GLN 23 N 0.00 0.65 0.00 1.46 1.08 -1.57 -3.17 115.11 113.56 3g17 h GLN 23 Ca 0.00 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 3g17 h GLN 23 Cb 0.45 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 3g17 h GLN 23 CO 0.00 0.78 -1.12 -1.13 -0.95 0.00 0.00 178.83 176.41 3g17 n SER 24 N -4.47 0.89 -3.66 1.46 3.41 -1.17 -4.75 113.62 105.33 3g17 n SER 24 Ca -0.02 -0.59 -0.28 0.00 -0.26 0.00 0.00 58.87 57.73 3g17 n SER 24 Cb 0.30 1.26 -0.11 0.00 -0.26 0.00 0.00 64.21 65.40 3g17 n SER 24 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3g17 s LEU 25 N -3.25 3.19 0.54 1.04 1.43 0.37 -5.00 118.68 116.99 3g17 s LEU 25 Ca 0.02 -3.47 0.31 0.00 -1.03 0.00 0.00 54.13 49.96 3g17 s LEU 25 Cb 0.12 -1.06 1.54 0.00 0.03 0.00 0.00 46.19 46.82 3g17 s LEU 25 CO 0.69 -0.13 2.08 -0.65 0.23 0.00 0.00 176.35 178.57 3g17 h PRO 26 N 5.53 0.00 -0.00 1.29 0.11 -1.78 -2.24 132.00 134.91 3g17 h PRO 26 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3g17 h PRO 26 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3g17 h PRO 26 CO 0.55 0.09 -0.03 0.72 -0.21 0.00 0.00 178.00 179.12 3g17 n HIS 27 N -3.44 0.00 -1.67 0.65 8.25 -1.26 -4.85 115.22 112.90 3g17 n HIS 27 Ca -0.01 0.00 -0.49 0.00 -0.26 0.00 0.00 57.72 56.95 3g17 n HIS 27 Cb 0.24 -0.41 -0.05 0.00 1.12 0.00 0.00 29.99 30.89 3g17 n HIS 27 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3g17 n THR 28 N -1.42 0.29 -4.37 1.59 -1.04 -0.84 -4.82 114.28 103.67 3g17 n THR 28 Ca 0.09 -0.05 -0.34 0.00 -2.04 0.00 0.00 64.05 61.71 3g17 n THR 28 Cb 0.31 -1.56 -0.13 0.00 -1.82 0.00 0.00 70.33 67.13 3g17 n THR 28 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3g17 s THR 29 N 2.55 3.62 -0.20 12.58 2.01 -0.53 -4.90 115.64 130.78 3g17 s THR 29 Ca 0.88 -0.44 -0.19 0.00 0.31 0.00 0.00 61.69 62.25 3g17 s THR 29 Cb -0.77 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 3g17 s THR 29 CO 0.48 0.48 0.52 -0.22 -0.69 0.00 0.00 174.62 175.20 3g17 s LEU 30 N 0.62 4.15 -0.07 4.42 2.96 -1.26 0.27 118.68 129.77 3g17 s LEU 30 Ca -0.03 0.68 0.04 0.00 -0.22 0.00 0.00 54.13 54.60 3g17 s LEU 30 Cb -0.15 -2.72 -0.02 0.00 0.50 0.00 0.00 46.19 43.81 3g17 s LEU 30 CO 0.03 -0.19 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.04 3g17 s ILE 31 N 1.65 2.53 0.00 6.68 1.01 0.26 -0.90 121.20 132.44 3g17 s ILE 31 Ca 0.24 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 60.00 3g17 s ILE 31 Cb -0.15 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.35 3g17 s ILE 31 CO 0.10 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.21 3g17 n GLY 32 N 2.84 5.14 0.24 6.18 0.00 -0.13 -0.26 105.19 119.21 3g17 n GLY 32 Ca -0.17 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 3g17 n GLY 32 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3g17 h ARG 33 N 0.00 0.84 -4.75 1.61 3.08 -1.95 -1.56 114.38 111.65 3g17 h ARG 33 Ca 0.00 -0.42 -0.37 0.00 0.07 0.00 0.00 59.98 59.26 3g17 h ARG 33 Cb 0.00 0.01 -0.26 0.00 0.08 0.00 0.00 29.97 29.80 3g17 h ARG 33 CO 0.00 1.06 -0.77 -1.01 -1.07 0.00 0.00 179.97 178.19 3g17 s HIS 34 N -4.44 0.81 0.44 3.04 3.76 -1.26 -4.04 115.29 113.59 3g17 s HIS 34 Ca -0.12 -0.26 -0.26 0.00 -0.15 0.00 0.00 55.06 54.27 3g17 s HIS 34 Cb 0.10 -0.50 -0.09 0.00 1.11 0.00 0.00 32.58 33.21 3g17 s HIS 34 CO 0.86 -0.02 1.43 0.00 -0.85 0.00 0.00 174.74 176.16 3g17 s ALA 35 N -0.60 3.30 0.04 -1.40 0.00 -1.26 -4.31 121.76 117.53 3g17 s ALA 35 Ca -0.00 1.47 -0.28 0.00 0.00 0.00 0.00 51.96 53.15 3g17 s ALA 35 Cb -0.06 -3.59 0.10 0.00 0.00 0.00 0.00 23.12 19.57 3g17 s ALA 35 CO 0.00 -1.15 1.20 -1.59 0.00 0.00 0.00 175.76 174.22 3g17 s LYS 36 N -2.38 0.66 -0.13 0.00 -2.85 -0.63 -4.91 119.74 109.50 3g17 s LYS 36 Ca 0.59 -0.39 -0.02 0.00 -1.00 0.00 0.00 55.97 55.15 3g17 s LYS 36 Cb -0.44 0.21 -0.03 0.00 -2.06 0.00 0.00 37.83 35.51 3g17 s LYS 36 CO 0.57 -0.31 -0.04 0.99 0.10 0.00 0.00 175.35 176.66 3g17 s THR 37 N -2.42 3.89 -0.07 3.79 2.01 -1.26 0.21 115.64 121.78 3g17 s THR 37 Ca 0.19 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.82 3g17 s THR 37 Cb 0.02 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 3g17 s THR 37 CO -0.01 0.53 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.74 3g17 s ILE 38 N -0.05 3.58 -0.17 1.82 1.01 0.53 -4.97 121.20 122.95 3g17 s ILE 38 Ca 0.01 -0.52 -0.21 0.00 0.00 0.00 0.00 60.65 59.93 3g17 s ILE 38 Cb -0.13 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 3g17 s ILE 38 CO 0.03 0.59 0.65 -0.89 0.00 0.00 0.00 174.94 175.31 3g17 s THR 39 N -0.65 5.02 -0.06 2.92 2.01 -0.34 -1.21 115.64 123.33 3g17 s THR 39 Ca 0.10 1.26 0.05 0.00 0.31 0.00 0.00 61.69 63.41 3g17 s THR 39 Cb -0.11 -3.97 -0.01 0.00 0.01 0.00 0.00 72.50 68.42 3g17 s THR 39 CO 0.02 0.13 -0.22 -0.47 -0.69 0.00 0.00 174.62 173.39 3g17 s TYR 40 N 1.70 2.15 -0.21 4.92 5.04 0.14 0.09 117.35 131.18 3g17 s TYR 40 Ca 0.31 -0.67 -0.00 0.00 -2.44 0.00 0.00 57.07 54.26 3g17 s TYR 40 Cb -0.16 -1.43 0.02 0.00 0.35 0.00 0.00 41.96 40.74 3g17 s TYR 40 CO 0.12 -0.23 -0.14 0.71 -1.34 0.00 0.00 175.55 174.67 3g17 s TYR 41 N 0.01 2.91 0.60 4.97 1.51 0.16 -1.15 117.35 126.36 3g17 s TYR 41 Ca -0.06 -1.57 0.31 0.00 -1.01 0.00 0.00 57.07 54.74 3g17 s TYR 41 Cb -0.14 -1.98 1.87 0.00 -0.11 0.00 0.00 41.96 41.60 3g17 s TYR 41 CO 0.04 -0.76 2.24 1.79 -1.11 0.00 0.00 175.55 177.76 3g17 h THR 42 N 6.02 0.45 -2.07 -0.71 1.35 -1.86 0.34 112.91 116.43 3g17 h THR 42 Ca -0.40 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.48 3g17 h THR 42 Cb 1.13 0.97 -0.18 0.00 -1.73 0.00 0.00 68.15 68.33 3g17 h THR 42 CO 0.60 0.00 0.35 0.54 -0.25 0.00 0.00 175.52 176.77 3g17 s VAL 43 N -4.57 0.00 0.33 6.82 0.11 -1.24 -4.39 120.40 117.45 3g17 s VAL 43 Ca -0.05 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.71 3g17 s VAL 43 Cb 0.15 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.88 3g17 s VAL 43 CO 0.53 0.00 1.48 -2.65 -3.33 0.00 0.00 175.10 171.13 3g17 n PRO 44 N 0.46 2.51 -0.86 1.54 -0.02 -1.25 -2.00 135.00 135.38 3g17 n PRO 44 Ca -0.14 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3g17 n PRO 44 Cb 0.59 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3g17 n PRO 44 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3g17 n HIS 45 N 1.15 0.00 -1.12 6.00 8.25 -1.26 -5.03 115.22 123.21 3g17 n HIS 45 Ca 0.05 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.21 3g17 n HIS 45 Cb 0.37 -0.47 0.12 0.00 1.12 0.00 0.00 29.99 31.13 3g17 n HIS 45 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3g17 s ALA 46 N -2.98 1.82 0.38 -1.41 0.00 -0.85 -4.97 121.76 113.75 3g17 s ALA 46 Ca 0.00 0.21 -0.28 0.00 0.00 0.00 0.00 51.96 51.90 3g17 s ALA 46 Cb 0.00 -3.28 -0.10 0.00 0.00 0.00 0.00 23.12 19.74 3g17 s ALA 46 CO 0.00 -2.18 1.46 -2.14 0.00 0.00 0.00 175.76 172.89 3g17 s PRO 47 N -4.85 4.08 0.24 0.00 0.02 -1.26 -4.91 135.00 128.31 3g17 s PRO 47 Ca 0.63 2.51 -0.31 0.00 0.02 0.00 0.00 61.00 63.85 3g17 s PRO 47 Cb -0.19 -2.93 -0.14 0.00 0.02 0.00 0.00 34.50 31.26 3g17 s PRO 47 CO 0.57 -0.53 1.33 0.00 -0.33 0.00 0.00 177.00 178.04 3g17 n ALA 48 N 0.40 0.70 -2.57 -1.55 0.00 -1.26 -4.72 120.51 111.51 3g17 n ALA 48 Ca 0.01 0.42 -0.23 0.00 0.00 0.00 0.00 53.44 53.65 3g17 n ALA 48 Cb 0.40 -2.21 -0.14 0.00 0.00 0.00 0.00 19.45 17.49 3g17 n ALA 48 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3g17 s GLN 49 N -0.55 1.16 -0.02 0.00 -0.21 -0.30 -4.98 119.66 114.75 3g17 s GLN 49 Ca 0.68 -0.72 -0.23 0.00 0.02 0.00 0.00 55.36 55.11 3g17 s GLN 49 Cb -0.68 -1.17 -0.04 0.00 1.00 0.00 0.00 33.01 32.11 3g17 s GLN 49 CO 0.51 0.30 0.69 -0.51 -2.12 0.00 0.00 175.29 174.17 3g17 s ASP 50 N -0.84 7.04 -0.05 5.90 1.01 -1.26 0.28 116.67 128.75 3g17 s ASP 50 Ca 0.05 1.25 0.02 0.00 0.71 0.00 0.00 52.55 54.58 3g17 s ASP 50 Cb -0.07 -2.42 0.01 0.00 1.01 0.00 0.00 42.92 41.45 3g17 s ASP 50 CO 0.01 -0.04 -0.10 -0.51 0.21 0.00 0.00 175.17 174.74 3g17 s ILE 51 N 0.37 0.91 0.14 0.77 2.07 -0.35 -4.96 121.20 120.14 3g17 s ILE 51 Ca 0.36 -0.38 -0.28 0.00 -1.41 0.00 0.00 60.65 58.95 3g17 s ILE 51 Cb -0.19 -0.83 -0.07 0.00 0.13 0.00 0.00 42.46 41.50 3g17 s ILE 51 CO 0.19 0.29 0.87 -0.69 -1.91 0.00 0.00 174.94 173.70 3g17 s VAL 52 N 0.52 4.42 -0.12 4.00 1.01 -1.26 -0.34 120.40 128.62 3g17 s VAL 52 Ca -0.10 1.90 -0.01 0.00 0.00 0.00 0.00 61.98 63.77 3g17 s VAL 52 Cb -0.13 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 3g17 s VAL 52 CO 0.02 0.42 -0.09 -0.69 0.00 0.00 0.00 175.10 174.75 3g17 s VAL 53 N -0.54 3.43 -0.13 2.92 1.01 0.13 -4.56 120.40 122.66 3g17 s VAL 53 Ca 0.41 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 3g17 s VAL 53 Cb -0.23 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 3g17 s VAL 53 CO 0.28 0.53 0.05 -0.75 0.00 0.00 0.00 175.10 175.21 3g17 s LYS 54 N 0.10 3.49 0.53 2.72 2.20 -0.07 -1.61 119.74 127.10 3g17 s LYS 54 Ca -0.04 -0.34 -0.16 0.00 -0.36 0.00 0.00 55.97 55.08 3g17 s LYS 54 Cb -0.14 -3.03 -0.07 0.00 -1.51 0.00 0.00 37.83 33.07 3g17 s LYS 54 CO 0.04 0.53 0.99 0.20 -0.36 0.00 0.00 175.35 176.75 3g17 s GLY 55 N -0.36 2.03 0.29 5.54 0.00 -1.26 -0.95 107.32 112.60 3g17 s GLY 55 Ca 0.09 0.17 0.03 0.00 0.00 0.00 0.00 44.72 45.01 3g17 s GLY 55 CO 0.02 0.45 1.72 -0.97 0.00 0.00 0.00 173.10 174.32 3g17 h TYR 56 N 0.78 0.75 0.00 1.90 0.05 -1.42 -0.43 116.97 118.60 3g17 h TYR 56 Ca -0.47 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.34 3g17 h TYR 56 Cb 1.19 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 38.74 3g17 h TYR 56 CO 0.64 0.05 -0.04 1.49 -1.05 0.00 0.00 178.16 179.25 3g17 h GLU 57 N 0.51 0.00 0.00 4.88 4.81 -1.88 -2.77 114.58 120.12 3g17 h GLU 57 Ca 0.54 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 3g17 h GLU 57 Cb 0.94 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.32 3g17 h GLU 57 CO -0.46 0.04 -0.55 -0.25 -0.73 0.00 0.00 179.01 177.06 3g17 n ASP 58 N -3.87 0.63 -4.72 1.04 8.00 -0.17 -4.87 116.55 112.58 3g17 n ASP 58 Ca -0.03 0.08 -0.42 0.00 0.71 0.00 0.00 54.79 55.14 3g17 n ASP 58 Cb 0.13 0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 41.30 3g17 n ASP 58 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3g17 s VAL 59 N -3.12 4.57 -0.22 2.53 1.01 -1.05 -4.95 120.40 119.17 3g17 s VAL 59 Ca 0.08 1.98 0.08 0.00 0.00 0.00 0.00 61.98 64.12 3g17 s VAL 59 Cb 0.14 -4.27 -0.11 0.00 0.00 0.00 0.00 36.38 32.15 3g17 s VAL 59 CO 0.70 0.23 0.28 0.35 0.00 0.00 0.00 175.10 176.66 3g17 n THR 60 N 3.32 0.00 -4.58 3.92 -2.24 -1.26 -5.05 114.28 108.40 3g17 n THR 60 Ca 0.04 -0.26 -0.27 0.00 -2.27 0.00 0.00 64.05 61.30 3g17 n THR 60 Cb 0.49 0.69 -0.11 0.00 -2.10 0.00 0.00 70.33 69.31 3g17 n THR 60 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3g17 s ASN 61 N -2.31 3.86 0.52 3.42 4.22 -1.26 -5.15 114.94 118.24 3g17 s ASN 61 Ca 0.00 -1.30 0.04 0.00 -2.14 0.00 0.00 52.86 49.46 3g17 s ASN 61 Cb 0.06 -0.39 0.03 0.00 1.28 0.00 0.00 41.25 42.23 3g17 s ASN 61 CO 0.34 -0.38 0.72 0.42 -2.04 0.00 0.00 177.10 176.17 3g17 s THR 62 N -2.67 2.72 -0.02 0.54 -4.23 -1.26 -4.73 115.64 105.99 3g17 s THR 62 Ca 0.34 -0.79 0.04 0.00 -1.18 0.00 0.00 61.69 60.11 3g17 s THR 62 Cb 0.07 -2.93 -0.01 0.00 1.34 0.00 0.00 72.50 70.98 3g17 s THR 62 CO 0.18 0.00 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.75 3g17 s PHE 63 N -2.64 1.35 -0.06 3.99 0.08 0.15 -4.96 117.98 115.88 3g17 s PHE 63 Ca 0.57 -0.29 0.31 0.00 0.12 0.00 0.00 56.93 57.65 3g17 s PHE 63 Cb -0.10 -0.88 1.19 0.00 -0.57 0.00 0.00 43.02 42.66 3g17 s PHE 63 CO 0.37 -0.05 1.90 -0.44 -0.10 0.00 0.00 175.22 176.90 3g17 h ASP 64 N 5.92 0.00 -3.38 1.36 3.32 -1.73 -3.39 116.42 118.52 3g17 h ASP 64 Ca -0.34 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.46 3g17 h ASP 64 Cb 1.16 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.39 3g17 h ASP 64 CO 0.49 0.00 -0.60 -0.69 -1.72 0.00 0.00 179.24 176.72 3g17 s VAL 65 N -3.55 -0.08 -0.14 -1.35 1.01 -0.14 -2.44 120.40 113.70 3g17 s VAL 65 Ca 0.02 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.22 3g17 s VAL 65 Cb 0.09 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.23 3g17 s VAL 65 CO 0.54 0.08 -0.18 -0.63 0.00 0.00 0.00 175.10 174.91 3g17 s ILE 66 N 1.34 1.79 -0.27 2.22 1.01 0.02 -1.15 121.20 126.16 3g17 s ILE 66 Ca -0.08 -0.80 -0.08 0.00 0.00 0.00 0.00 60.65 59.70 3g17 s ILE 66 Cb -0.12 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.72 3g17 s ILE 66 CO -0.06 0.50 0.09 -0.63 0.00 0.00 0.00 174.94 174.84 3g17 s ILE 67 N 1.07 4.37 -0.24 2.92 1.01 0.08 -0.12 121.20 130.29 3g17 s ILE 67 Ca -0.03 -0.27 -0.14 0.00 0.00 0.00 0.00 60.65 60.22 3g17 s ILE 67 Cb -0.14 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 3g17 s ILE 67 CO -0.05 0.25 0.31 -0.63 0.00 0.00 0.00 174.94 174.82 3g17 s ILE 68 N 1.61 5.24 -0.07 2.92 1.01 0.94 -0.35 121.20 132.50 3g17 s ILE 68 Ca 0.06 0.48 0.10 0.00 0.00 0.00 0.00 60.65 61.28 3g17 s ILE 68 Cb -0.16 -3.64 0.15 0.00 0.01 0.00 0.00 42.46 38.82 3g17 s ILE 68 CO 0.04 0.24 1.05 0.00 0.00 0.00 0.00 174.94 176.28 3g17 n ALA 69 N 4.79 2.08 -1.14 9.38 0.00 0.11 -0.10 120.51 135.64 3g17 n ALA 69 Ca -0.11 -1.81 -0.29 0.00 0.00 0.00 0.00 53.44 51.23 3g17 n ALA 69 Cb 0.51 -0.38 0.21 0.00 0.00 0.00 0.00 19.45 19.79 3g17 n ALA 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3g17 s VAL 70 N -1.54 1.81 0.59 0.00 -7.23 -1.22 -4.56 120.40 108.25 3g17 s VAL 70 Ca 0.16 0.00 -0.19 0.00 -1.81 0.00 0.00 61.98 60.14 3g17 s VAL 70 Cb 0.14 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 3g17 s VAL 70 CO 0.02 0.00 1.27 -0.54 -0.31 0.00 0.00 175.10 175.53 3g17 s LYS 71 N -5.20 2.90 0.26 4.82 -0.14 -1.26 -4.84 119.74 116.29 3g17 s LYS 71 Ca 0.68 2.00 -0.05 0.00 -1.36 0.00 0.00 55.97 57.24 3g17 s LYS 71 Cb -0.14 -2.00 0.51 0.00 -1.68 0.00 0.00 37.83 34.52 3g17 s LYS 71 CO 0.57 -1.31 1.61 1.79 -0.76 0.00 0.00 175.35 177.25 3g17 h THR 72 N 0.94 0.23 0.00 2.17 1.35 -1.94 0.19 112.91 115.85 3g17 h THR 72 Ca -0.51 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3g17 h THR 72 Cb 1.31 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 3g17 h THR 72 CO 0.55 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.83 3g17 n HIS 73 N -5.41 0.00 1.04 4.73 1.44 -1.26 -2.13 115.22 113.63 3g17 n HIS 73 Ca 0.16 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.98 3g17 n HIS 73 Cb 0.54 -0.47 0.08 0.00 0.12 0.00 0.00 29.99 30.26 3g17 n HIS 73 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3g17 n GLN 74 N -1.47 1.53 0.11 -1.40 6.02 0.04 -4.58 117.38 117.64 3g17 n GLN 74 Ca 0.04 -1.24 -0.12 0.00 -0.01 0.00 0.00 57.00 55.67 3g17 n GLN 74 Cb 0.17 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 29.90 3g17 n GLN 74 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3g17 h LEU 75 N 3.02 -0.57 -0.95 1.08 5.85 -1.25 -2.59 115.31 119.91 3g17 h LEU 75 Ca 0.00 0.07 0.20 0.00 0.84 0.00 0.00 57.88 58.98 3g17 h LEU 75 Cb 0.80 0.21 -0.11 0.00 0.37 0.00 0.00 40.66 41.93 3g17 h LEU 75 CO 0.00 -0.29 0.52 0.44 -0.34 0.00 0.00 178.44 178.78 3g17 h ASP 76 N -0.39 0.61 0.14 1.25 3.32 -1.81 -0.32 116.42 119.22 3g17 h ASP 76 Ca 0.02 0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 3g17 h ASP 76 Cb 0.41 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3g17 h ASP 76 CO -0.11 0.17 -0.15 0.00 -1.72 0.00 0.00 179.24 177.42 3g17 h ALA 77 N 1.66 1.71 -0.11 3.45 0.00 -1.77 -2.92 119.26 121.28 3g17 h ALA 77 Ca 0.56 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 55.08 3g17 h ALA 77 Cb 0.95 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.72 3g17 h ALA 77 CO -0.43 0.22 -0.86 0.28 0.00 0.00 0.00 179.25 178.46 3g17 h VAL 78 N 0.03 1.28 -0.65 0.00 2.07 -0.92 -3.39 116.25 114.67 3g17 h VAL 78 Ca 0.00 -2.06 0.14 0.00 0.82 0.00 0.00 66.70 65.60 3g17 h VAL 78 Cb 0.29 2.10 -0.11 0.00 -1.52 0.00 0.00 31.29 32.06 3g17 h VAL 78 CO 0.02 0.65 0.05 0.40 0.02 0.00 0.00 177.57 178.70 3g17 h ILE 79 N 0.50 0.49 -0.13 4.57 2.04 -1.26 -0.40 117.51 123.32 3g17 h ILE 79 Ca -0.08 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.77 3g17 h ILE 79 Cb 1.50 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 3g17 h ILE 79 CO 0.17 0.03 0.11 -0.65 0.00 0.00 0.00 178.15 177.81 3g17 h PRO 80 N 0.16 0.00 0.00 2.37 0.11 -1.75 -1.35 132.00 131.53 3g17 h PRO 80 Ca 0.35 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.42 3g17 h PRO 80 Cb 0.58 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 3g17 h PRO 80 CO -0.53 0.00 -0.17 0.45 -0.21 0.00 0.00 178.00 177.54 3g17 h HIS 81 N 0.00 0.00 -0.03 0.65 3.86 -1.32 -3.11 115.15 115.21 3g17 h HIS 81 Ca 0.06 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.28 3g17 h HIS 81 Cb 0.28 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.75 3g17 h HIS 81 CO 0.00 0.17 0.05 -0.07 0.86 0.00 0.00 177.93 178.93 3g17 h LEU 82 N 0.00 0.00 -1.59 2.43 3.38 -1.30 -0.40 115.31 117.83 3g17 h LEU 82 Ca -0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3g17 h LEU 82 Cb 0.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3g17 h LEU 82 CO 0.02 0.00 0.38 0.74 0.09 0.00 0.00 178.44 179.67 3g17 h THR 83 N 0.00 0.96 -0.00 0.22 2.02 -1.70 -0.54 112.91 113.87 3g17 h THR 83 Ca 0.01 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3g17 h THR 83 Cb 0.11 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3g17 h THR 83 CO -0.00 0.09 -0.91 -1.22 0.37 0.00 0.00 175.52 173.85 3g17 n TYR 84 N -4.47 0.00 -0.05 3.16 4.01 -0.19 -4.53 117.16 115.09 3g17 n TYR 84 Ca 0.08 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.77 3g17 n TYR 84 Cb 0.28 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.23 3g17 n TYR 84 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3g17 n LEU 85 N -1.28 0.15 -4.85 7.72 4.77 -1.04 -4.60 117.00 117.87 3g17 n LEU 85 Ca 0.05 -0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.77 3g17 n LEU 85 Cb 0.34 0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 3g17 n LEU 85 CO 0.40 0.28 -0.17 0.00 -1.33 0.00 0.00 177.39 176.57 3g17 s ALA 86 N -2.25 3.70 0.02 -1.18 0.00 -0.22 -0.67 121.76 121.16 3g17 s ALA 86 Ca -0.06 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.70 3g17 s ALA 86 Cb 0.03 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.66 3g17 s ALA 86 CO 0.41 0.46 0.01 -2.39 0.00 0.00 0.00 175.76 174.25 3g17 n HIS 87 N -0.60 -0.95 -0.05 0.00 1.44 -1.26 -4.82 115.22 108.98 3g17 n HIS 87 Ca -0.08 -0.08 -0.04 0.00 -2.01 0.00 0.00 57.72 55.51 3g17 n HIS 87 Cb 0.55 -0.01 0.19 0.00 0.12 0.00 0.00 29.99 30.84 3g17 n HIS 87 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 3g17 h GLU 88 N 0.00 0.65 -0.60 -1.40 9.09 -1.99 -2.89 114.58 117.44 3g17 h GLU 88 Ca -0.01 -0.19 0.00 0.00 0.05 0.00 0.00 59.36 59.20 3g17 h GLU 88 Cb 0.04 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.08 3g17 h GLU 88 CO 0.02 0.73 0.00 -0.25 0.05 0.00 0.00 179.01 179.56 3g17 n ASP 89 N -4.19 3.28 -4.69 3.06 8.00 -1.26 -4.38 116.55 116.37 3g17 n ASP 89 Ca 0.01 -2.06 -0.42 0.00 0.71 0.00 0.00 54.79 53.03 3g17 n ASP 89 Cb 0.33 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 3g17 n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3g17 s THR 90 N -1.31 3.28 -0.19 -3.53 2.01 -1.09 -4.90 115.64 109.90 3g17 s THR 90 Ca 0.40 0.67 -0.29 0.00 0.31 0.00 0.00 61.69 62.78 3g17 s THR 90 Cb 0.21 -3.43 -0.01 0.00 0.01 0.00 0.00 72.50 69.28 3g17 s THR 90 CO 0.26 -0.01 1.29 -0.22 -0.69 0.00 0.00 174.62 175.24 3g17 s LEU 91 N 2.73 4.11 -0.31 4.42 2.96 -1.02 -4.32 118.68 127.25 3g17 s LEU 91 Ca 0.71 1.60 -0.08 0.00 -0.22 0.00 0.00 54.13 56.15 3g17 s LEU 91 Cb -0.37 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 42.80 3g17 s LEU 91 CO 0.30 -0.84 0.11 -0.63 -1.32 0.00 0.00 176.35 173.97 3g17 s ILE 92 N 3.73 4.11 -0.15 6.68 1.01 0.92 -0.80 121.20 136.71 3g17 s ILE 92 Ca 0.56 -0.72 -0.05 0.00 0.00 0.00 0.00 60.65 60.44 3g17 s ILE 92 Cb -0.21 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 3g17 s ILE 92 CO 0.17 0.01 0.00 -0.63 0.00 0.00 0.00 174.94 174.50 3g17 s ILE 93 N 1.51 4.29 -0.72 2.92 1.01 0.83 -0.14 121.20 130.90 3g17 s ILE 93 Ca 0.02 -0.22 -0.16 0.00 0.00 0.00 0.00 60.65 60.29 3g17 s ILE 93 Cb -0.18 -2.88 0.17 0.00 0.01 0.00 0.00 42.46 39.58 3g17 s ILE 93 CO 0.04 0.50 0.71 -0.76 0.00 0.00 0.00 174.94 175.43 3g17 s LEU 94 N 0.14 6.26 -1.41 2.97 1.02 0.11 -0.04 118.68 127.74 3g17 s LEU 94 Ca 0.01 -2.20 -0.14 0.00 0.02 0.00 0.00 54.13 51.83 3g17 s LEU 94 Cb -0.13 -2.24 0.07 0.00 0.02 0.00 0.00 46.19 43.91 3g17 s LEU 94 CO 0.02 -0.77 2.09 0.00 0.02 0.00 0.00 176.35 177.71 3g17 n ALA 95 N 4.89 5.21 -2.62 4.21 0.00 0.86 -1.68 120.51 131.37 3g17 n ALA 95 Ca 0.03 -3.95 -0.10 0.00 0.00 0.00 0.00 53.44 49.42 3g17 n ALA 95 Cb 0.44 -3.46 -0.11 0.00 0.00 0.00 0.00 19.45 16.33 3g17 n ALA 95 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3g17 s GLN 96 N 2.89 0.54 0.74 0.00 -0.21 -1.26 -4.30 119.66 118.06 3g17 s GLN 96 Ca 0.47 -0.91 -0.13 0.00 0.02 0.00 0.00 55.36 54.81 3g17 s GLN 96 Cb 0.12 -0.07 0.04 0.00 1.00 0.00 0.00 33.01 34.10 3g17 s GLN 96 CO -0.05 -0.02 1.12 -0.80 -2.12 0.00 0.00 175.29 173.42 3g17 s ASN 97 N -2.07 4.49 0.58 5.90 0.01 -1.26 -4.60 114.94 117.99 3g17 s ASN 97 Ca -0.04 2.01 0.00 0.00 -0.71 0.00 0.00 52.86 54.11 3g17 s ASN 97 Cb -0.04 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.08 3g17 s ASN 97 CO -0.03 -2.05 0.00 0.61 -1.51 0.00 0.00 177.10 174.12 3g17 n GLY 98 N -0.56 0.46 2.77 0.66 0.00 -1.26 -4.51 105.19 102.74 3g17 n GLY 98 Ca 0.10 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 3g17 n GLY 98 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g17 s TYR 99 N 0.00 1.57 0.58 1.61 5.04 -0.32 -5.00 117.35 120.83 3g17 s TYR 99 Ca 0.00 -1.42 -0.08 0.00 -2.44 0.00 0.00 57.07 53.13 3g17 s TYR 99 Cb 0.00 -1.45 0.13 0.00 0.35 0.00 0.00 41.96 40.99 3g17 s TYR 99 CO 0.00 -0.77 0.79 0.41 -1.34 0.00 0.00 175.55 174.65 3g17 n GLY 100 N 4.89 -0.87 2.66 8.97 0.00 -1.26 -4.72 105.19 114.86 3g17 n GLY 100 Ca -0.06 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 3g17 n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3g17 n GLN 101 N -2.63 2.75 -0.35 1.61 6.02 -1.26 -4.66 117.38 118.85 3g17 n GLN 101 Ca 0.11 -2.20 0.01 0.00 -0.01 0.00 0.00 57.00 54.91 3g17 n GLN 101 Cb 0.37 -2.97 0.17 0.00 1.02 0.00 0.00 30.24 28.83 3g17 n GLN 101 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3g17 h LEU 102 N 9.59 1.04 -0.89 1.08 3.38 -1.97 -2.03 115.31 125.51 3g17 h LEU 102 Ca 0.62 -0.01 0.33 0.00 0.09 0.00 0.00 57.88 58.92 3g17 h LEU 102 Cb 0.48 -0.24 -0.12 0.00 0.09 0.00 0.00 40.66 40.88 3g17 h LEU 102 CO 1.81 0.71 0.54 -0.62 0.09 0.00 0.00 178.44 180.97 3g17 n GLU 103 N -4.45 -0.03 0.09 1.13 1.02 -1.26 -0.15 120.64 116.99 3g17 n GLU 103 Ca 0.13 0.96 0.13 0.00 -0.02 0.00 0.00 57.16 58.36 3g17 n GLU 103 Cb 0.11 -1.82 0.44 0.00 -0.02 0.00 0.00 31.44 30.16 3g17 n GLU 103 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3g17 n HIS 104 N -4.38 0.78 -3.22 -0.32 8.25 -0.76 -4.72 115.22 110.85 3g17 n HIS 104 Ca 0.29 0.24 -0.43 0.00 -0.26 0.00 0.00 57.72 57.56 3g17 n HIS 104 Cb 1.06 -0.89 -0.08 0.00 1.12 0.00 0.00 29.99 31.21 3g17 n HIS 104 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3g17 s ILE 105 N -3.11 4.97 -0.79 1.59 1.01 0.79 -4.99 121.20 120.66 3g17 s ILE 105 Ca 0.10 -0.01 -0.07 0.00 0.00 0.00 0.00 60.65 60.67 3g17 s ILE 105 Cb 0.13 -4.09 -0.11 0.00 0.01 0.00 0.00 42.46 38.40 3g17 s ILE 105 CO 0.55 -0.44 3.13 -0.81 0.00 0.00 0.00 174.94 177.37 3g17 n PRO 106 N 5.89 2.97 -4.03 2.79 -0.04 -1.26 -4.88 135.00 136.44 3g17 n PRO 106 Ca -0.05 -1.90 -0.13 0.00 -0.04 0.00 0.00 63.50 61.39 3g17 n PRO 106 Cb 0.48 -2.38 -0.13 0.00 -0.04 0.00 0.00 33.50 31.44 3g17 n PRO 106 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3g17 s PHE 107 N 0.78 0.39 0.18 0.54 0.08 -1.26 -5.07 117.98 113.62 3g17 s PHE 107 Ca 0.65 -0.31 -0.24 0.00 0.12 0.00 0.00 56.93 57.15 3g17 s PHE 107 Cb 0.26 -0.25 0.06 0.00 -0.57 0.00 0.00 43.02 42.53 3g17 s PHE 107 CO -0.06 -0.07 1.57 0.87 -0.10 0.00 0.00 175.22 177.42 3g17 h LYS 108 N 5.23 -0.18 -3.44 0.44 1.57 -1.90 -3.39 116.57 114.90 3g17 h LYS 108 Ca -0.31 0.01 -0.72 0.00 -1.87 0.00 0.00 60.65 57.77 3g17 h LYS 108 Cb 1.20 0.04 -0.34 0.00 0.08 0.00 0.00 32.23 33.21 3g17 h LYS 108 CO 0.45 -0.12 -0.11 -0.80 -0.57 0.00 0.00 179.45 178.30 3g17 s ASN 109 N -5.19 5.96 -0.05 0.86 0.01 -1.26 -5.04 114.94 110.23 3g17 s ASN 109 Ca -0.14 -3.40 0.05 0.00 -0.71 0.00 0.00 52.86 48.66 3g17 s ASN 109 Cb 0.14 -1.94 -0.02 0.00 0.41 0.00 0.00 41.25 39.84 3g17 s ASN 109 CO 0.67 -0.27 -0.20 -0.69 -1.51 0.00 0.00 177.10 175.10 3g17 s VAL 110 N -0.88 2.54 -0.09 1.60 1.01 -1.26 -0.05 120.40 123.26 3g17 s VAL 110 Ca 0.24 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 3g17 s VAL 110 Cb -0.11 -1.95 0.05 0.00 0.00 0.00 0.00 36.38 34.36 3g17 s VAL 110 CO -0.09 0.58 0.16 0.00 0.00 0.00 0.00 175.10 175.75 3g17 s GLN 112 N 2.29 3.79 0.57 0.00 2.00 -1.26 0.09 119.66 127.14 3g17 s GLN 112 Ca 0.03 1.37 -0.07 0.00 -2.00 0.00 0.00 55.36 54.70 3g17 s GLN 112 Cb -0.12 -3.98 -0.01 0.00 0.80 0.00 0.00 33.01 29.70 3g17 s GLN 112 CO -0.06 -1.29 0.90 0.00 -0.50 0.00 0.00 175.29 174.34 3g17 s ALA 113 N 4.97 3.26 -0.20 1.58 0.00 -0.68 -4.59 121.76 126.11 3g17 s ALA 113 Ca 0.64 -0.50 -0.06 0.00 0.00 0.00 0.00 51.96 52.04 3g17 s ALA 113 Cb -0.20 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 3g17 s ALA 113 CO 0.27 -0.67 0.02 0.08 0.00 0.00 0.00 175.76 175.46 3g17 s VAL 114 N -2.97 4.14 -0.26 0.00 1.01 0.15 -4.53 120.40 117.94 3g17 s VAL 114 Ca 0.52 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 3g17 s VAL 114 Cb -0.11 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 3g17 s VAL 114 CO 0.47 0.43 0.17 -0.69 0.00 0.00 0.00 175.10 175.48 3g17 s VAL 115 N 0.91 5.23 -0.61 2.92 1.01 -1.26 -1.24 120.40 127.36 3g17 s VAL 115 Ca 0.02 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.18 3g17 s VAL 115 Cb -0.14 -3.47 0.15 0.00 0.00 0.00 0.00 36.38 32.92 3g17 s VAL 115 CO 0.02 0.29 0.38 -0.31 0.00 0.00 0.00 175.10 175.48 3g17 s TYR 116 N 1.53 3.24 -0.19 5.22 2.02 -0.33 -5.04 117.35 123.80 3g17 s TYR 116 Ca 0.07 -3.19 -0.05 0.00 -0.37 0.00 0.00 57.07 53.53 3g17 s TYR 116 Cb -0.15 -2.65 0.10 0.00 -0.40 0.00 0.00 41.96 38.86 3g17 s TYR 116 CO 0.08 -0.65 0.35 0.42 -1.57 0.00 0.00 175.55 174.19 3g17 s ILE 117 N -0.84 -0.55 0.04 2.71 1.01 -1.26 -1.11 121.20 121.20 3g17 s ILE 117 Ca 0.22 0.10 0.05 0.00 0.00 0.00 0.00 60.65 61.02 3g17 s ILE 117 Cb -0.14 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 3g17 s ILE 117 CO -0.09 0.00 -0.09 -0.94 0.00 0.00 0.00 174.94 173.83 3g17 s SER 118 N 2.52 4.48 0.00 3.58 1.04 -0.03 -4.87 113.70 120.42 3g17 s SER 118 Ca 0.04 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.21 3g17 s SER 118 Cb -0.13 -0.95 0.00 0.00 0.10 0.00 0.00 66.02 65.03 3g17 s SER 118 CO -0.13 0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.94 3g17 n GLY 119 N 1.23 -1.35 3.01 7.32 0.00 -1.26 0.27 105.19 114.40 3g17 n GLY 119 Ca -0.15 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 3g17 n GLY 119 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3g17 s GLN 120 N -1.61 0.40 -0.09 1.61 -2.07 -0.25 -4.92 119.66 112.73 3g17 s GLN 120 Ca 0.00 -0.76 0.03 0.00 -1.82 0.00 0.00 55.36 52.80 3g17 s GLN 120 Cb 0.00 0.14 -0.01 0.00 -1.09 0.00 0.00 33.01 32.05 3g17 s GLN 120 CO 0.00 -0.07 -0.17 0.21 -1.32 0.00 0.00 175.29 173.94 3g17 s LYS 121 N -2.11 2.95 -0.18 9.60 2.20 -1.26 -1.15 119.74 129.80 3g17 s LYS 121 Ca -0.10 -0.76 -0.04 0.00 -0.36 0.00 0.00 55.97 54.71 3g17 s LYS 121 Cb -0.05 -2.43 0.06 0.00 -1.51 0.00 0.00 37.83 33.90 3g17 s LYS 121 CO -0.03 0.34 0.05 0.21 -0.36 0.00 0.00 175.35 175.56 3g17 s LYS 122 N -0.02 0.44 6.81 4.03 2.47 0.11 -5.01 119.74 128.58 3g17 s LYS 122 Ca -0.05 -0.29 0.00 0.00 -1.56 0.00 0.00 55.97 54.07 3g17 s LYS 122 Cb -0.14 -1.99 0.00 0.00 -1.46 0.00 0.00 37.83 34.24 3g17 s LYS 122 CO 0.04 -0.64 0.00 0.41 0.16 0.00 0.00 175.35 175.32 3g17 n GLY 123 N 5.13 3.33 1.43 5.54 0.00 -1.26 -1.06 105.19 118.31 3g17 n GLY 123 Ca -0.08 -0.17 0.04 0.00 0.00 0.00 0.00 46.02 45.81 3g17 n GLY 123 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g17 n ASP 124 N 3.47 4.13 -4.32 1.61 8.00 -1.26 -4.85 116.55 123.33 3g17 n ASP 124 Ca 0.00 -2.62 -0.36 0.00 0.71 0.00 0.00 54.79 52.52 3g17 n ASP 124 Cb 0.00 -0.63 -0.14 0.00 -0.02 0.00 0.00 41.12 40.34 3g17 n ASP 124 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3g17 s VAL 125 N -2.17 3.56 -0.16 2.53 1.01 -0.23 -1.20 120.40 123.75 3g17 s VAL 125 Ca 0.36 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 3g17 s VAL 125 Cb 0.28 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3g17 s VAL 125 CO 0.10 0.31 0.01 -0.69 0.00 0.00 0.00 175.10 174.83 3g17 s VAL 126 N 1.48 4.30 -0.19 2.92 1.01 0.11 -0.71 120.40 129.33 3g17 s VAL 126 Ca 0.04 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.82 3g17 s VAL 126 Cb -0.15 -2.90 0.03 0.00 0.00 0.00 0.00 36.38 33.36 3g17 s VAL 126 CO -0.01 0.50 -0.14 -0.89 0.00 0.00 0.00 175.10 174.55 3g17 s THR 127 N 0.20 1.83 0.31 3.92 2.01 -0.30 -0.66 115.64 122.96 3g17 s THR 127 Ca 0.01 -0.98 -0.27 0.00 0.31 0.00 0.00 61.69 60.76 3g17 s THR 127 Cb -0.13 -1.78 -0.10 0.00 0.01 0.00 0.00 72.50 70.50 3g17 s THR 127 CO 0.02 0.33 0.97 -2.28 -0.69 0.00 0.00 174.62 172.97 3g17 s HIS 128 N 1.34 3.69 -0.01 4.92 2.46 0.11 -1.09 115.29 126.70 3g17 s HIS 128 Ca 0.01 1.79 -0.01 0.00 0.47 0.00 0.00 55.06 57.31 3g17 s HIS 128 Cb -0.15 -2.99 -0.00 0.00 -0.13 0.00 0.00 32.58 29.31 3g17 s HIS 128 CO -0.10 0.08 -0.03 1.19 -2.47 0.00 0.00 174.74 173.42 3g17 n PHE 129 N 0.71 0.00 -3.75 3.88 3.72 0.14 -3.65 117.46 118.52 3g17 n PHE 129 Ca 0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.28 3g17 n PHE 129 Cb 0.49 -0.04 -0.08 0.00 -0.94 0.00 0.00 39.48 38.91 3g17 n PHE 129 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3g17 s ARG 130 N -1.16 0.71 0.00 -1.08 0.52 -1.16 -4.88 118.95 111.90 3g17 s ARG 130 Ca -0.02 -0.22 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 3g17 s ARG 130 Cb 0.00 0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.79 3g17 s ARG 130 CO 0.03 -0.20 0.00 -0.25 0.02 0.00 0.00 175.30 174.90 3g17 n ASP 131 N 1.14 -0.26 -2.33 0.23 8.00 -1.26 -0.86 116.55 121.22 3g17 n ASP 131 Ca -0.21 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.28 3g17 n ASP 131 Cb 0.57 0.89 0.05 0.00 -0.02 0.00 0.00 41.12 42.60 3g17 n ASP 131 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3g17 n TYR 132 N -0.99 1.00 -4.30 1.24 4.01 -1.22 -4.30 117.16 112.61 3g17 n TYR 132 Ca 0.00 -1.68 -0.35 0.00 -0.16 0.00 0.00 57.90 55.71 3g17 n TYR 132 Cb 0.00 -0.22 -0.10 0.00 -0.31 0.00 0.00 39.34 38.71 3g17 n TYR 132 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 3g17 s GLN 133 N -2.75 3.25 -0.08 -0.72 0.74 -0.27 -0.36 119.66 119.47 3g17 s GLN 133 Ca 0.31 -0.40 0.02 0.00 0.05 0.00 0.00 55.36 55.35 3g17 s GLN 133 Cb 0.35 -2.89 0.01 0.00 1.10 0.00 0.00 33.01 31.58 3g17 s GLN 133 CO -0.07 0.58 -0.13 -0.51 -0.55 0.00 0.00 175.29 174.61 3g17 s LEU 134 N -0.54 1.66 -0.19 3.68 1.43 -0.05 -1.19 118.68 123.49 3g17 s LEU 134 Ca 0.09 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.83 3g17 s LEU 134 Cb -0.12 -0.91 -0.02 0.00 0.03 0.00 0.00 46.19 45.18 3g17 s LEU 134 CO 0.02 0.03 -0.05 -0.13 0.23 0.00 0.00 176.35 176.45 3g17 s ARG 135 N 0.73 3.49 0.08 1.70 0.52 -0.37 -0.36 118.95 124.73 3g17 s ARG 135 Ca -0.13 -0.59 0.02 0.00 -0.52 0.00 0.00 55.73 54.51 3g17 s ARG 135 Cb -0.16 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.35 3g17 s ARG 135 CO 0.03 0.01 -0.08 0.42 0.02 0.00 0.00 175.30 175.70 3g17 s ILE 136 N 0.94 0.70 0.13 1.52 1.01 -0.40 0.33 121.20 125.44 3g17 s ILE 136 Ca -0.00 -1.53 -0.34 0.00 0.00 0.00 0.00 60.65 58.77 3g17 s ILE 136 Cb -0.15 -1.19 -0.14 0.00 0.01 0.00 0.00 42.46 40.99 3g17 s ILE 136 CO 0.01 -0.60 1.55 1.67 0.00 0.00 0.00 174.94 177.57 3g17 n GLN 137 N 0.70 1.96 -2.00 2.79 -0.06 -1.26 -0.17 117.38 119.34 3g17 n GLN 137 Ca -0.17 0.71 -0.42 0.00 -2.00 0.00 0.00 57.00 55.11 3g17 n GLN 137 Cb 0.58 -2.45 -0.03 0.00 -4.06 0.00 0.00 30.24 24.27 3g17 n GLN 137 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3g17 s ASP 138 N 1.02 6.65 0.06 1.69 2.15 -0.44 -4.70 116.67 123.09 3g17 s ASP 138 Ca 0.81 2.50 -0.28 0.00 0.43 0.00 0.00 52.55 56.00 3g17 s ASP 138 Cb -0.73 -2.58 0.09 0.00 -0.30 0.00 0.00 42.92 39.40 3g17 s ASP 138 CO 0.40 -0.80 1.10 0.54 -0.17 0.00 0.00 175.17 176.24 3g17 s ASN 139 N 1.50 -0.14 0.32 -0.34 2.20 -1.26 -4.97 114.94 112.25 3g17 s ASN 139 Ca 0.70 -0.25 0.01 0.00 -0.94 0.00 0.00 52.86 52.38 3g17 s ASN 139 Cb -0.41 0.33 0.55 0.00 -2.00 0.00 0.00 41.25 39.73 3g17 s ASN 139 CO 0.31 -0.61 1.95 0.00 -2.94 0.00 0.00 177.10 175.81 3g17 h ALA 140 N 2.00 1.52 -0.23 3.54 0.00 -1.99 -0.69 119.26 123.41 3g17 h ALA 140 Ca -0.26 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3g17 h ALA 140 Cb 1.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3g17 h ALA 140 CO 0.27 0.38 0.00 -0.07 0.00 0.00 0.00 179.25 179.84 3g17 h LEU 141 N 0.99 0.40 -0.99 0.00 3.38 -1.96 -1.53 115.31 115.59 3g17 h LEU 141 Ca 0.34 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3g17 h LEU 141 Cb 0.09 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3g17 h LEU 141 CO -0.10 0.60 -0.45 0.71 0.09 0.00 0.00 178.44 179.29 3g17 h THR 142 N 0.18 1.33 -0.34 0.22 1.35 -1.76 -1.66 112.91 112.23 3g17 h THR 142 Ca 0.07 -1.59 -0.13 0.00 -0.55 0.00 0.00 66.41 64.21 3g17 h THR 142 Cb 0.40 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.60 3g17 h THR 142 CO 0.01 0.46 -0.31 -0.09 -0.25 0.00 0.00 175.52 175.34 3g17 h ARG 143 N 0.09 0.73 -0.55 4.72 2.43 -1.06 -0.06 114.38 120.68 3g17 h ARG 143 Ca 0.00 -0.34 -0.07 0.00 -0.81 0.00 0.00 59.98 58.77 3g17 h ARG 143 Cb 0.84 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 3g17 h ARG 143 CO 0.06 0.95 0.06 0.37 -1.51 0.00 0.00 179.97 179.90 3g17 h GLN 144 N 0.62 0.93 -0.31 0.20 4.15 -0.94 -2.89 115.11 116.87 3g17 h GLN 144 Ca 0.07 -0.26 -0.02 0.00 0.77 0.00 0.00 58.65 59.20 3g17 h GLN 144 Cb 0.84 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.41 3g17 h GLN 144 CO 0.07 0.91 0.10 0.35 -1.93 0.00 0.00 178.83 178.33 3g17 h PHE 145 N 0.82 0.50 -0.89 3.99 3.57 -1.05 -2.58 116.94 121.30 3g17 h PHE 145 Ca 0.16 -0.05 0.16 0.00 3.53 0.00 0.00 57.97 61.77 3g17 h PHE 145 Cb 0.45 -0.14 -0.10 0.00 2.79 0.00 0.00 35.95 38.95 3g17 h PHE 145 CO 0.03 0.51 0.48 -0.09 -2.23 0.00 0.00 178.31 177.01 3g17 h ARG 146 N 0.34 0.63 -0.38 1.11 2.43 -0.90 -1.95 114.38 115.68 3g17 h ARG 146 Ca 0.10 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.12 3g17 h ARG 146 Cb 0.24 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3g17 h ARG 146 CO -0.00 0.42 -0.21 -0.44 -1.51 0.00 0.00 179.97 178.23 3g17 h ASP 147 N 0.65 0.84 -0.95 -3.80 3.45 -1.39 -2.90 116.42 112.33 3g17 h ASP 147 Ca 0.50 -0.41 0.13 0.00 0.43 0.00 0.00 57.03 57.67 3g17 h ASP 147 Cb 0.73 -0.23 -0.08 0.00 -0.56 0.00 0.00 39.33 39.19 3g17 h ASP 147 CO -0.37 1.07 0.60 0.25 -1.57 0.00 0.00 179.24 179.22 3g17 h LEU 148 N 0.61 0.80 -1.08 1.55 5.85 -0.96 -2.42 115.31 119.67 3g17 h LEU 148 Ca 0.08 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3g17 h LEU 148 Cb 0.76 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3g17 h LEU 148 CO 0.06 0.42 0.00 1.33 -0.34 0.00 0.00 178.44 179.91 3g17 n VAL 149 N -4.59 0.13 0.18 1.05 0.24 -0.94 -4.52 118.33 109.88 3g17 n VAL 149 Ca 0.18 -0.32 0.18 0.00 -2.04 0.00 0.00 64.34 62.35 3g17 n VAL 149 Cb 0.40 0.44 0.80 0.00 -1.47 0.00 0.00 33.84 34.02 3g17 n VAL 149 CO 0.00 0.00 0.00 0.06 -2.14 0.00 0.00 176.83 174.75 3g17 h GLN 150 N 2.33 0.00 0.00 7.34 3.07 -1.24 0.36 115.11 126.97 3g17 h GLN 150 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3g17 h GLN 150 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.06 3g17 h GLN 150 CO 0.00 0.00 -0.18 -0.25 0.09 0.00 0.00 178.83 178.49 3g17 n ASP 151 N -3.64 0.42 -4.74 0.06 9.92 -1.26 -4.87 116.55 112.45 3g17 n ASP 151 Ca 0.03 0.33 -0.26 0.00 -0.53 0.00 0.00 54.79 54.37 3g17 n ASP 151 Cb 0.45 -0.35 0.10 0.00 -0.64 0.00 0.00 41.12 40.68 3g17 n ASP 151 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3g17 s SER 152 N -3.62 4.42 -0.03 -2.24 1.04 0.13 -4.88 113.70 108.52 3g17 s SER 152 Ca 0.11 0.25 0.20 0.00 0.48 0.00 0.00 55.95 56.99 3g17 s SER 152 Cb 0.16 -0.75 0.63 0.00 0.10 0.00 0.00 66.02 66.16 3g17 s SER 152 CO 0.61 -1.85 1.53 0.00 0.98 0.00 0.00 173.24 174.51 3g17 n GLN 153 N -3.05 2.89 -2.18 4.02 10.64 -1.26 -4.92 117.38 123.52 3g17 n GLN 153 Ca 0.11 -2.53 -0.42 0.00 -1.83 0.00 0.00 57.00 52.32 3g17 n GLN 153 Cb 0.60 -1.63 -0.03 0.00 -0.86 0.00 0.00 30.24 28.32 3g17 n GLN 153 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 3g17 s ILE 154 N -1.32 3.69 -0.50 -0.39 -1.09 -1.26 -4.74 121.20 115.60 3g17 s ILE 154 Ca 0.46 1.03 -0.13 0.00 -2.23 0.00 0.00 60.65 59.78 3g17 s ILE 154 Cb 0.26 -3.66 0.12 0.00 -1.58 0.00 0.00 42.46 37.60 3g17 s ILE 154 CO 0.29 -0.03 0.42 -0.62 -1.23 0.00 0.00 174.94 173.77 3g17 s ASP 155 N 2.18 5.97 -0.38 3.58 2.15 0.51 -4.91 116.67 125.77 3g17 s ASP 155 Ca 0.65 -1.76 -0.21 0.00 0.43 0.00 0.00 52.55 51.66 3g17 s ASP 155 Cb -0.31 -2.12 0.01 0.00 -0.30 0.00 0.00 42.92 40.19 3g17 s ASP 155 CO 0.26 -0.75 0.67 -0.63 -0.17 0.00 0.00 175.17 174.55 3g17 s ILE 156 N 1.51 4.84 -0.31 4.11 -1.09 -1.26 -0.87 121.20 128.13 3g17 s ILE 156 Ca 0.04 0.54 -0.08 0.00 -2.23 0.00 0.00 60.65 58.93 3g17 s ILE 156 Cb -0.28 -4.13 0.01 0.00 -1.58 0.00 0.00 42.46 36.48 3g17 s ILE 156 CO 0.02 -0.41 0.11 -0.69 -1.23 0.00 0.00 174.94 172.74 3g17 s VAL 157 N 2.83 4.11 -0.14 2.92 1.01 0.51 -5.00 120.40 126.65 3g17 s VAL 157 Ca 0.25 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.30 3g17 s VAL 157 Cb -0.14 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 3g17 s VAL 157 CO 0.16 0.01 0.62 -0.76 0.00 0.00 0.00 175.10 175.13 3g17 s LEU 158 N 1.51 4.23 -0.12 3.92 1.43 -1.26 -1.27 118.68 127.13 3g17 s LEU 158 Ca 0.02 0.95 -0.02 0.00 -1.03 0.00 0.00 54.13 54.05 3g17 s LEU 158 Cb -0.18 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 3g17 s LEU 158 CO 0.04 -0.15 -0.03 -0.70 0.23 0.00 0.00 176.35 175.73 3g17 s GLU 159 N 1.23 3.28 0.20 1.70 2.56 0.77 -4.75 118.70 123.69 3g17 s GLU 159 Ca 0.31 -0.48 -0.11 0.00 0.00 0.00 0.00 54.97 54.68 3g17 s GLU 159 Cb -0.16 -2.82 0.17 0.00 2.00 0.00 0.00 34.13 33.31 3g17 s GLU 159 CO 0.13 0.47 1.83 0.00 -0.56 0.00 0.00 175.26 177.13 3g17 h ALA 160 N 5.93 0.82 -3.37 6.30 0.00 -1.93 -1.16 119.26 125.85 3g17 h ALA 160 Ca -0.41 -0.01 -0.54 0.00 0.00 0.00 0.00 54.91 53.95 3g17 h ALA 160 Cb 1.19 -0.18 -0.39 0.00 0.00 0.00 0.00 17.79 18.40 3g17 h ALA 160 CO 0.58 0.12 -0.77 1.21 0.00 0.00 0.00 179.25 180.39 3g17 s ASN 161 N -5.67 3.17 0.18 0.00 3.84 -1.26 -4.69 114.94 110.52 3g17 s ASN 161 Ca -0.13 -0.92 0.21 0.00 0.21 0.00 0.00 52.86 52.23 3g17 s ASN 161 Cb 0.15 -0.75 0.87 0.00 -0.55 0.00 0.00 41.25 40.96 3g17 s ASN 161 CO 0.76 -0.29 1.63 0.00 -2.79 0.00 0.00 177.10 176.41 3g17 n ILE 162 N 4.95 0.89 -0.26 -5.21 0.13 -1.26 -3.43 119.36 115.16 3g17 n ILE 162 Ca -0.10 0.24 -0.04 0.00 -1.10 0.00 0.00 62.75 61.75 3g17 n ILE 162 Cb 0.46 -1.12 0.07 0.00 -0.84 0.00 0.00 39.64 38.21 3g17 n ILE 162 CO 0.00 0.00 0.00 1.56 2.80 0.00 0.00 176.55 180.91 3g17 h GLN 163 N 0.00 0.94 -0.44 9.51 1.08 -1.96 -1.59 115.11 122.65 3g17 h GLN 163 Ca 0.00 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 3g17 h GLN 163 Cb 0.32 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 3g17 h GLN 163 CO 0.00 0.62 0.17 0.37 -0.95 0.00 0.00 178.83 179.04 3g17 h GLN 164 N 0.97 0.66 -0.84 1.46 4.15 -1.99 -0.73 115.11 118.79 3g17 h GLN 164 Ca 0.27 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 3g17 h GLN 164 Cb -0.08 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.46 3g17 h GLN 164 CO -0.07 0.61 0.45 0.00 -1.93 0.00 0.00 178.83 177.90 3g17 h ALA 165 N 1.02 1.22 -0.29 3.38 0.00 -1.70 -0.89 119.26 121.99 3g17 h ALA 165 Ca 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3g17 h ALA 165 Cb 0.20 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3g17 h ALA 165 CO -0.01 0.62 0.06 0.82 0.00 0.00 0.00 179.25 180.74 3g17 h ILE 166 N 1.17 1.23 -0.45 0.00 2.04 -0.77 -2.55 117.51 118.17 3g17 h ILE 166 Ca 0.29 -0.77 -0.12 0.00 1.00 0.00 0.00 64.86 65.27 3g17 h ILE 166 Cb 0.03 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3g17 h ILE 166 CO -0.05 0.25 -0.20 -0.50 0.00 0.00 0.00 178.15 177.65 3g17 h TRP 167 N 0.31 1.03 -0.17 1.37 4.06 -0.92 0.33 115.95 121.96 3g17 h TRP 167 Ca 0.09 -0.24 0.00 0.00 2.06 0.00 0.00 58.89 60.81 3g17 h TRP 167 Cb 0.32 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 3g17 h TRP 167 CO 0.02 1.02 0.10 -0.92 -3.56 0.00 0.00 178.44 175.10 3g17 h TYR 168 N 0.79 0.19 -0.17 0.49 3.20 -1.10 -0.98 116.97 119.39 3g17 h TYR 168 Ca 0.11 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.85 3g17 h TYR 168 Cb 0.75 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 3g17 h TYR 168 CO 0.04 0.12 -0.46 -0.22 -1.64 0.00 0.00 178.16 176.00 3g17 h LYS 169 N 0.21 0.41 -0.57 1.82 3.64 -1.32 -1.12 116.57 119.64 3g17 h LYS 169 Ca 0.06 -0.22 0.12 0.00 -1.27 0.00 0.00 60.65 59.34 3g17 h LYS 169 Cb -0.01 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 31.72 3g17 h LYS 169 CO -0.02 0.79 -0.04 -0.07 -2.27 0.00 0.00 179.45 177.84 3g17 h LEU 170 N 0.34 -0.32 -0.29 5.20 3.38 -0.61 -1.36 115.31 121.65 3g17 h LEU 170 Ca 0.02 0.15 -0.18 0.00 0.09 0.00 0.00 57.88 57.96 3g17 h LEU 170 Cb 0.94 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3g17 h LEU 170 CO 0.08 -0.12 -0.51 -0.07 0.09 0.00 0.00 178.44 177.91 3g17 h LEU 171 N 0.08 0.95 -0.53 1.67 4.07 -0.56 0.13 115.31 121.12 3g17 h LEU 171 Ca 0.29 -0.53 0.06 0.00 0.08 0.00 0.00 57.88 57.78 3g17 h LEU 171 Cb 0.45 -0.27 -0.05 0.00 1.08 0.00 0.00 40.66 41.87 3g17 h LEU 171 CO -0.51 1.29 0.24 0.58 -1.08 0.00 0.00 178.44 178.96 3g17 h VAL 172 N 0.63 0.90 -0.47 1.22 2.07 -1.00 -2.03 116.25 117.58 3g17 h VAL 172 Ca 0.02 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 3g17 h VAL 172 Cb 1.11 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3g17 h VAL 172 CO 0.11 0.08 0.06 0.78 0.02 0.00 0.00 177.57 178.63 3g17 h ASN 173 N 0.46 0.76 -0.47 0.57 2.35 -1.13 -3.29 115.58 114.82 3g17 h ASN 173 Ca 0.24 -0.27 0.09 0.00 -0.55 0.00 0.00 56.30 55.81 3g17 h ASN 173 Cb 0.20 -0.20 -0.08 0.00 0.05 0.00 0.00 38.32 38.29 3g17 h ASN 173 CO -0.20 0.84 -0.06 0.25 -1.65 0.00 0.00 177.43 176.60 3g17 h LEU 174 N 0.65 -0.33 0.00 1.61 5.85 -0.00 -0.73 115.31 122.36 3g17 h LEU 174 Ca 0.14 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3g17 h LEU 174 Cb 0.41 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.69 3g17 h LEU 174 CO 0.01 -0.12 0.00 0.61 -0.34 0.00 0.00 178.44 178.61 3g17 n GLY 175 N -1.32 -1.59 0.22 3.75 0.00 -1.04 -3.16 105.19 102.04 3g17 n GLY 175 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 3g17 n GLY 175 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3g17 h ILE 176 N 0.00 1.22 -0.86 -0.61 6.09 -1.63 -2.31 117.51 119.42 3g17 h ILE 176 Ca 0.00 -0.76 0.04 0.00 -1.37 0.00 0.00 64.86 62.77 3g17 h ILE 176 Cb 0.00 0.88 -0.05 0.00 0.47 0.00 0.00 36.82 38.12 3g17 h ILE 176 CO 0.00 0.27 0.55 0.78 -3.07 0.00 0.00 178.15 176.68 3g17 h ASN 177 N 0.58 0.92 -0.49 2.19 4.21 -1.32 -0.92 115.58 120.74 3g17 h ASN 177 Ca 0.14 -0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.58 3g17 h ASN 177 Cb 0.28 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 37.26 3g17 h ASN 177 CO -0.00 0.63 0.04 0.28 -1.29 0.00 0.00 177.43 177.08 3g17 h SER 178 N 1.07 0.82 -0.03 5.81 0.02 -1.49 -1.38 113.55 118.37 3g17 h SER 178 Ca 0.35 -0.29 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 3g17 h SER 178 Cb 0.02 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.34 3g17 h SER 178 CO -0.12 0.90 -0.16 0.40 -1.14 0.00 0.00 176.83 176.71 3g17 h ILE 179 N 0.70 1.48 -0.57 3.27 5.03 -1.02 -2.13 117.51 124.28 3g17 h ILE 179 Ca 0.14 -1.65 -0.04 0.00 -0.12 0.00 0.00 64.86 63.20 3g17 h ILE 179 Cb 0.46 2.47 -0.02 0.00 -3.03 0.00 0.00 36.82 36.69 3g17 h ILE 179 CO 0.02 0.45 0.21 0.71 -0.68 0.00 0.00 178.15 178.86 3g17 h THR 180 N -0.41 1.23 -0.06 -0.27 1.35 -1.25 0.14 112.91 113.64 3g17 h THR 180 Ca -0.01 -0.74 -0.01 0.00 -0.55 0.00 0.00 66.41 65.10 3g17 h THR 180 Cb 0.82 0.65 -0.00 0.00 -1.73 0.00 0.00 68.15 67.89 3g17 h THR 180 CO 0.03 0.28 -0.01 0.00 -0.25 0.00 0.00 175.52 175.58 3g17 h ALA 181 N 1.06 0.08 -0.13 6.62 0.00 -1.30 0.89 119.26 126.48 3g17 h ALA 181 Ca 0.19 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3g17 h ALA 181 Cb 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3g17 h ALA 181 CO -0.01 -0.23 -0.53 -0.07 0.00 0.00 0.00 179.25 178.42 3g17 h LEU 182 N -0.21 0.41 -0.76 0.00 4.07 -1.38 -2.43 115.31 115.01 3g17 h LEU 182 Ca 0.02 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.77 3g17 h LEU 182 Cb 0.37 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.99 3g17 h LEU 182 CO 0.00 0.86 0.00 1.23 -1.08 0.00 0.00 178.44 179.45 3g17 h GLY 183 N 1.25 0.00 -6.16 0.83 0.00 -0.70 -3.47 103.07 94.82 3g17 h GLY 183 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.88 3g17 h GLY 183 CO 0.09 0.00 -0.73 0.54 0.00 0.00 0.00 176.54 176.43 3g17 n ARG 184 N -2.48 -5.67 -4.06 4.80 3.00 0.22 -4.97 116.66 107.50 3g17 n ARG 184 Ca 0.02 0.63 -0.08 0.00 -0.01 0.00 0.00 57.85 58.41 3g17 n ARG 184 Cb 0.29 -5.53 -0.10 0.00 0.00 0.00 0.00 32.46 27.11 3g17 n ARG 184 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3g17 s GLN 185 N -6.54 0.52 1.08 5.56 -0.21 -0.66 -5.04 119.66 114.37 3g17 s GLN 185 Ca 0.64 -1.00 -0.18 0.00 0.02 0.00 0.00 55.36 54.83 3g17 s GLN 185 Cb -0.32 0.12 0.27 0.00 1.00 0.00 0.00 33.01 34.09 3g17 s GLN 185 CO 0.79 -0.08 0.90 0.25 -2.12 0.00 0.00 175.29 175.04 3g17 n THR 186 N 0.66 0.00 0.34 -0.19 -2.24 -1.26 -4.47 114.28 107.11 3g17 n THR 186 Ca -0.18 -0.35 0.18 0.00 -2.27 0.00 0.00 64.05 61.43 3g17 n THR 186 Cb 0.59 -1.15 0.94 0.00 -2.10 0.00 0.00 70.33 68.62 3g17 n THR 186 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3g17 h VAL 187 N -2.69 0.00 -0.67 2.28 2.07 -0.62 -1.72 116.25 114.89 3g17 h VAL 187 Ca -0.35 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.37 3g17 h VAL 187 Cb 1.08 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 3g17 h VAL 187 CO 0.22 0.00 0.54 0.00 0.02 0.00 0.00 177.57 178.36 3g17 h ALA 188 N 1.54 2.55 -0.32 1.67 0.00 -1.39 0.79 119.26 124.10 3g17 h ALA 188 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.98 3g17 h ALA 188 Cb 0.47 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3g17 h ALA 188 CO -0.00 -0.89 0.27 0.97 0.00 0.00 0.00 179.25 179.61 3g17 h ILE 189 N 0.00 0.63 0.00 0.00 2.10 -1.62 -1.40 117.51 117.22 3g17 h ILE 189 Ca 0.32 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.26 3g17 h ILE 189 Cb 1.40 0.80 0.00 0.00 -1.09 0.00 0.00 36.82 37.92 3g17 h ILE 189 CO -0.00 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.30 3g17 n MET 190 N -4.11 0.05 0.25 2.19 2.81 0.27 -2.09 117.12 116.50 3g17 n MET 190 Ca 0.05 0.30 0.10 0.00 -1.81 0.00 0.00 57.70 56.33 3g17 n MET 190 Cb 0.44 -1.50 0.65 0.00 -0.71 0.00 0.00 33.22 32.10 3g17 n MET 190 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3g17 h HIS 191 N 0.00 0.00 -2.90 2.03 3.86 -1.45 -3.42 115.15 113.26 3g17 h HIS 191 Ca 0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 3g17 h HIS 191 Cb 0.10 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.53 3g17 h HIS 191 CO 0.00 0.13 0.89 -0.80 0.86 0.00 0.00 177.93 179.01 3g17 s ASN 192 N -6.53 6.93 0.50 2.45 0.01 -0.89 -4.92 114.94 112.49 3g17 s ASN 192 Ca -0.04 1.76 0.19 0.00 -0.71 0.00 0.00 52.86 54.06 3g17 s ASN 192 Cb 0.15 -2.54 1.26 0.00 0.41 0.00 0.00 41.25 40.53 3g17 s ASN 192 CO 0.63 -0.75 2.09 1.55 -1.51 0.00 0.00 177.10 179.11 3g17 h PRO 193 N 8.22 0.00 -0.28 -0.60 0.13 -1.90 -1.75 132.00 135.81 3g17 h PRO 193 Ca -0.29 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.72 3g17 h PRO 193 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3g17 h PRO 193 CO 0.96 0.09 -0.34 0.93 -0.23 0.00 0.00 178.00 179.40 3g17 h GLU 194 N 0.00 0.62 -0.77 0.86 3.07 -1.95 -1.74 114.58 114.67 3g17 h GLU 194 Ca -0.00 -0.29 -0.01 0.00 -0.50 0.00 0.00 59.36 58.56 3g17 h GLU 194 Cb 0.17 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.03 3g17 h GLU 194 CO 0.01 0.87 0.43 0.82 -1.40 0.00 0.00 179.01 179.74 3g17 h ILE 195 N 0.52 1.23 -0.47 3.13 1.08 -1.65 -1.21 117.51 120.14 3g17 h ILE 195 Ca 0.06 -0.57 -0.10 0.00 -0.39 0.00 0.00 64.86 63.86 3g17 h ILE 195 Cb 0.83 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 3g17 h ILE 195 CO 0.07 0.25 -0.11 0.03 -0.69 0.00 0.00 178.15 177.71 3g17 h ARG 196 N 1.07 0.87 -0.13 2.37 3.08 -1.04 0.96 114.38 121.56 3g17 h ARG 196 Ca 0.27 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3g17 h ARG 196 Cb 0.03 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3g17 h ARG 196 CO -0.04 0.93 0.03 0.82 -1.07 0.00 0.00 179.97 180.64 3g17 h ILE 197 N 0.78 1.21 -0.62 2.04 2.04 -1.17 -0.00 117.51 121.78 3g17 h ILE 197 Ca 0.13 -0.65 0.10 0.00 1.00 0.00 0.00 64.86 65.44 3g17 h ILE 197 Cb 0.62 1.38 -0.08 0.00 -0.74 0.00 0.00 36.82 38.01 3g17 h ILE 197 CO 0.04 0.19 0.21 0.25 0.00 0.00 0.00 178.15 178.85 3g17 h LEU 198 N 0.01 0.18 -0.30 1.44 5.85 -1.07 0.21 115.31 121.63 3g17 h LEU 198 Ca 0.04 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3g17 h LEU 198 Cb 0.27 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3g17 h LEU 198 CO 0.00 0.10 0.18 0.00 -0.34 0.00 0.00 178.44 178.39 3g17 h ARG 200 N 0.38 0.21 -0.69 0.00 2.43 -0.44 -2.00 114.38 114.28 3g17 h ARG 200 Ca 0.11 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3g17 h ARG 200 Cb -0.00 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 3g17 h ARG 200 CO -0.02 0.14 0.33 1.96 -1.51 0.00 0.00 179.97 180.87 3g17 h GLN 201 N 0.22 0.98 -0.51 0.20 1.08 -0.12 -1.69 115.11 115.27 3g17 h GLN 201 Ca 0.09 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 3g17 h GLN 201 Cb 0.04 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.26 3g17 h GLN 201 CO -0.08 0.76 0.27 1.25 -0.95 0.00 0.00 178.83 180.08 3g17 h LEU 202 N 0.98 0.66 -1.09 1.46 5.85 -0.34 -0.62 115.31 122.20 3g17 h LEU 202 Ca 0.24 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 3g17 h LEU 202 Cb 0.10 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3g17 h LEU 202 CO -0.03 0.58 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.44 3g17 h LEU 203 N 0.68 0.46 -0.56 2.25 3.38 -0.82 -2.28 115.31 118.42 3g17 h LEU 203 Ca 0.18 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3g17 h LEU 203 Cb 0.08 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3g17 h LEU 203 CO -0.03 0.63 0.13 -0.07 0.09 0.00 0.00 178.44 179.20 3g17 h LEU 204 N 0.44 0.85 -0.12 1.67 3.38 -0.76 0.27 115.31 121.04 3g17 h LEU 204 Ca 0.08 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.86 3g17 h LEU 204 Cb 0.51 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 3g17 h LEU 204 CO 0.03 0.86 -0.24 0.44 0.09 0.00 0.00 178.44 179.63 3g17 h ASP 205 N 0.80 -0.73 -0.95 -0.43 5.19 -0.90 0.53 116.42 119.93 3g17 h ASP 205 Ca 0.18 0.12 -0.00 0.00 -0.62 0.00 0.00 57.03 56.70 3g17 h ASP 205 Cb 0.35 0.32 -0.05 0.00 0.18 0.00 0.00 39.33 40.13 3g17 h ASP 205 CO 0.00 -0.29 0.58 1.23 -3.12 0.00 0.00 179.24 177.65 3g17 h GLY 206 N -0.30 1.38 0.57 2.75 0.00 -1.07 -1.87 103.07 104.52 3g17 h GLY 206 Ca 0.10 -0.56 0.07 0.00 0.00 0.00 0.00 47.33 46.94 3g17 h GLY 206 CO -0.30 0.55 0.30 0.00 0.00 0.00 0.00 176.54 177.09 3g17 h ARG 208 N 0.55 0.31 -0.27 0.00 3.08 -0.12 -1.50 114.38 116.43 3g17 h ARG 208 Ca 0.29 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.15 3g17 h ARG 208 Cb 0.27 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3g17 h ARG 208 CO -0.23 0.50 -0.23 0.28 -1.07 0.00 0.00 179.97 179.22 3g17 h VAL 209 N 0.29 1.31 -0.33 2.04 2.07 -0.90 -2.52 116.25 118.21 3g17 h VAL 209 Ca 0.05 -1.38 0.04 0.00 0.82 0.00 0.00 66.70 66.23 3g17 h VAL 209 Cb 0.50 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 3g17 h VAL 209 CO 0.03 0.44 0.09 0.00 0.02 0.00 0.00 177.57 178.16 3g17 h ALA 210 N 0.70 0.37 -0.24 1.67 0.00 -0.57 -1.55 119.26 119.65 3g17 h ALA 210 Ca 0.05 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3g17 h ALA 210 Cb 0.79 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 3g17 h ALA 210 CO 0.06 -0.31 -0.24 1.96 0.00 0.00 0.00 179.25 180.72 3g17 h GLN 211 N 0.23 -0.24 -0.25 0.00 4.20 -1.32 -0.83 115.11 116.89 3g17 h GLN 211 Ca 0.15 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.95 3g17 h GLN 211 Cb 0.14 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3g17 h GLN 211 CO -0.17 -0.16 0.24 0.00 -0.67 0.00 0.00 178.83 178.06 3g17 h ALA 212 N 0.80 1.98 -0.00 3.87 0.00 -0.98 0.11 119.26 125.03 3g17 h ALA 212 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3g17 h ALA 212 Cb 0.46 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3g17 h ALA 212 CO -0.38 -0.36 -0.18 0.39 0.00 0.00 0.00 179.25 178.72 3g17 n GLU 213 N -3.97 0.48 0.00 0.00 -0.58 -0.37 -4.93 120.64 111.27 3g17 n GLU 213 Ca 0.03 -0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 3g17 n GLU 213 Cb 0.38 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 3g17 n GLU 213 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g17 n GLY 214 N 1.36 1.08 3.72 0.62 0.00 0.37 -5.08 105.19 107.27 3g17 n GLY 214 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3g17 n GLY 214 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g17 s LEU 215 N 0.00 3.65 -1.23 0.99 1.43 -1.03 -4.99 118.68 117.49 3g17 s LEU 215 Ca 0.00 -0.01 -0.04 0.00 -1.03 0.00 0.00 54.13 53.05 3g17 s LEU 215 Cb 0.00 -2.21 0.18 0.00 0.03 0.00 0.00 46.19 44.19 3g17 s LEU 215 CO 0.00 0.23 2.18 -0.46 0.23 0.00 0.00 176.35 178.54 3g17 n ASN 216 N 0.98 7.68 -4.78 2.29 0.23 -1.26 -3.66 115.26 116.74 3g17 n ASN 216 Ca -0.12 -3.30 -0.37 0.00 -0.53 0.00 0.00 54.58 50.26 3g17 n ASN 216 Cb 0.52 -1.31 -0.06 0.00 -2.08 0.00 0.00 39.78 36.85 3g17 n ASN 216 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 3g17 s PHE 217 N -2.01 3.66 0.31 -2.53 0.08 -1.26 -5.02 117.98 111.21 3g17 s PHE 217 Ca 0.49 1.76 0.03 0.00 0.12 0.00 0.00 56.93 59.33 3g17 s PHE 217 Cb 0.18 -2.91 -0.04 0.00 -0.57 0.00 0.00 43.02 39.69 3g17 s PHE 217 CO -0.10 0.19 0.16 -1.54 -0.10 0.00 0.00 175.22 173.84 3g17 s SER 218 N -1.66 1.57 0.49 1.36 1.04 -1.26 -4.86 113.70 110.39 3g17 s SER 218 Ca 0.51 -1.57 0.31 0.00 0.48 0.00 0.00 55.95 55.68 3g17 s SER 218 Cb -0.18 0.40 1.41 0.00 0.10 0.00 0.00 66.02 67.75 3g17 s SER 218 CO 0.23 -0.89 1.79 -0.33 0.98 0.00 0.00 173.24 175.01 3g17 h GLU 219 N 2.20 0.12 -0.25 4.02 3.07 -1.99 0.26 114.58 122.01 3g17 h GLU 219 Ca -0.33 -0.01 -0.13 0.00 -0.50 0.00 0.00 59.36 58.40 3g17 h GLU 219 Cb 1.25 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.12 3g17 h GLU 219 CO 0.51 0.08 -0.37 1.96 -1.40 0.00 0.00 179.01 179.79 3g17 h GLN 220 N 0.12 0.55 -0.31 2.33 7.50 -1.99 -1.17 115.11 122.14 3g17 h GLN 220 Ca 0.59 -0.26 -0.01 0.00 0.50 0.00 0.00 58.65 59.46 3g17 h GLN 220 Cb 2.06 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 29.57 3g17 h GLN 220 CO -0.11 0.84 0.14 1.15 -1.50 0.00 0.00 178.83 179.35 3g17 h THR 221 N 0.46 1.17 -0.52 -0.54 2.02 -0.89 -2.01 112.91 112.60 3g17 h THR 221 Ca 0.05 -0.49 0.09 0.00 0.77 0.00 0.00 66.41 66.83 3g17 h THR 221 Cb 0.86 0.91 -0.07 0.00 -1.74 0.00 0.00 68.15 68.10 3g17 h THR 221 CO 0.07 0.17 0.10 0.58 0.37 0.00 0.00 175.52 176.82 3g17 h VAL 222 N 0.36 0.71 -0.68 3.16 2.07 -0.98 -1.93 116.25 118.96 3g17 h VAL 222 Ca 0.11 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.62 3g17 h VAL 222 Cb 0.14 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 3g17 h VAL 222 CO -0.01 0.04 0.35 0.44 0.02 0.00 0.00 177.57 178.41 3g17 h ASP 223 N 0.24 0.48 -0.40 0.57 3.32 -0.78 -0.68 116.42 119.17 3g17 h ASP 223 Ca 0.26 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.30 3g17 h ASP 223 Cb 0.36 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3g17 h ASP 223 CO -0.34 0.30 0.07 0.71 -1.72 0.00 0.00 179.24 178.25 3g17 h THR 224 N 0.62 1.22 -0.22 0.35 1.35 -0.69 -0.24 112.91 115.31 3g17 h THR 224 Ca 0.32 -0.86 -0.05 0.00 -0.55 0.00 0.00 66.41 65.27 3g17 h THR 224 Cb 0.28 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 67.49 3g17 h THR 224 CO -0.23 0.31 -0.07 0.40 -0.25 0.00 0.00 175.52 175.68 3g17 h ILE 225 N 0.72 1.29 -0.37 6.82 2.04 -0.65 -0.57 117.51 126.79 3g17 h ILE 225 Ca 0.15 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 3g17 h ILE 225 Cb 0.34 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 3g17 h ILE 225 CO 0.01 0.33 0.15 0.24 0.00 0.00 0.00 178.15 178.87 3g17 h MET 226 N 0.16 0.52 -0.41 2.37 2.86 -0.85 -0.89 114.93 118.69 3g17 h MET 226 Ca 0.05 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 3g17 h MET 226 Cb 0.53 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3g17 h MET 226 CO 0.02 0.44 -0.18 1.15 1.06 0.00 0.00 176.91 179.41 3g17 h THR 227 N 0.52 1.27 -0.95 2.22 2.02 -0.84 -2.40 112.91 114.74 3g17 h THR 227 Ca 0.13 -1.27 0.06 0.00 0.77 0.00 0.00 66.41 66.10 3g17 h THR 227 Cb 0.11 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.60 3g17 h THR 227 CO -0.01 0.43 0.61 0.40 0.37 0.00 0.00 175.52 177.31 3g17 h ILE 228 N 0.69 1.09 -0.54 3.11 2.04 0.25 -3.00 117.51 121.14 3g17 h ILE 228 Ca 0.10 -0.38 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 3g17 h ILE 228 Cb 0.67 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 3g17 h ILE 228 CO 0.05 0.20 0.00 1.88 0.00 0.00 0.00 178.15 180.29 3g17 h TYR 229 N 1.12 1.04 -0.23 1.37 0.99 -0.92 -2.45 116.97 117.89 3g17 h TYR 229 Ca 0.40 -0.18 0.07 0.00 2.00 0.00 0.00 58.73 61.02 3g17 h TYR 229 Cb 0.13 -0.27 -0.01 0.00 1.00 0.00 0.00 36.73 37.58 3g17 h TYR 229 CO -0.01 0.95 0.19 1.96 -0.00 0.00 0.00 178.16 181.25 3g17 h GLN 230 N 0.83 0.00 0.00 4.88 4.20 -1.30 -0.07 115.11 123.66 3g17 h GLN 230 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3g17 h GLN 230 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3g17 h GLN 230 CO 0.03 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.60 3g17 n GLY 231 N -1.51 -1.36 3.76 3.46 0.00 -0.92 -4.81 105.19 103.81 3g17 n GLY 231 Ca 0.03 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3g17 n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g17 s TYR 232 N -3.13 3.55 0.56 1.61 2.02 -0.04 -5.04 117.35 116.87 3g17 s TYR 232 Ca 0.08 1.71 -0.15 0.00 -0.37 0.00 0.00 57.07 58.33 3g17 s TYR 232 Cb 0.12 -3.23 -0.06 0.00 -0.40 0.00 0.00 41.96 38.39 3g17 s TYR 232 CO 0.44 -0.49 1.01 -1.25 -1.57 0.00 0.00 175.55 173.69 3g17 s PRO 233 N -1.64 3.71 0.26 -1.71 0.04 -1.26 -4.97 135.00 129.43 3g17 s PRO 233 Ca 0.47 0.98 -0.02 0.00 0.04 0.00 0.00 61.00 62.47 3g17 s PRO 233 Cb -0.30 -2.10 0.46 0.00 0.04 0.00 0.00 34.50 32.61 3g17 s PRO 233 CO 0.38 -0.47 1.82 -0.44 0.04 0.00 0.00 177.00 178.32 3g17 h ASP 234 N 0.56 0.78 -0.01 6.66 3.32 -1.96 -1.83 116.42 123.95 3g17 h ASP 234 Ca -0.46 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3g17 h ASP 234 Cb 1.19 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.64 3g17 h ASP 234 CO 0.60 0.43 0.00 -0.62 -1.72 0.00 0.00 179.24 177.93 3g17 n GLU 235 N -4.69 1.15 -2.18 3.56 4.71 -1.26 -1.10 120.64 120.84 3g17 n GLU 235 Ca 0.16 -0.22 -0.42 0.00 -0.01 0.00 0.00 57.16 56.67 3g17 n GLU 235 Cb 0.31 -1.48 -0.03 0.00 -1.01 0.00 0.00 31.44 29.23 3g17 n GLU 235 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 177.13 178.63 3g17 s MET 236 N -2.00 4.33 0.38 3.49 1.75 -0.69 -4.80 119.30 121.77 3g17 s MET 236 Ca 0.44 2.07 0.01 0.00 -1.25 0.00 0.00 55.69 56.97 3g17 s MET 236 Cb 0.21 -3.24 0.07 0.00 2.84 0.00 0.00 34.83 34.72 3g17 s MET 236 CO 0.35 -0.40 0.53 0.41 -0.65 0.00 0.00 175.02 175.25 3g17 n GLY 237 N 3.28 1.02 3.35 2.11 0.00 -1.26 -0.59 105.19 113.10 3g17 n GLY 237 Ca 0.10 -2.05 -0.18 0.00 0.00 0.00 0.00 46.02 43.90 3g17 n GLY 237 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g17 s THR 238 N -1.46 1.40 0.17 2.61 -4.23 -1.26 -4.91 115.64 107.96 3g17 s THR 238 Ca 0.36 -2.10 -0.14 0.00 -1.18 0.00 0.00 61.69 58.63 3g17 s THR 238 Cb -0.02 -2.24 0.07 0.00 1.34 0.00 0.00 72.50 71.64 3g17 s THR 238 CO 0.24 -0.44 1.77 0.77 -0.54 0.00 0.00 174.62 176.42 3g17 h SER 239 N 2.47 0.26 0.12 3.99 4.64 -1.99 0.08 113.55 123.13 3g17 h SER 239 Ca -0.39 0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 60.87 3g17 h SER 239 Cb 1.22 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 3g17 h SER 239 CO 0.65 0.19 -0.35 -0.03 -0.87 0.00 0.00 176.83 176.42 3g17 h MET 240 N 0.41 0.33 -0.17 4.77 1.85 -1.97 0.55 114.93 120.69 3g17 h MET 240 Ca 0.21 -0.14 -0.01 0.00 -0.61 0.00 0.00 59.70 59.16 3g17 h MET 240 Cb 0.17 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.18 3g17 h MET 240 CO -0.18 0.64 0.09 -0.92 -0.40 0.00 0.00 176.91 176.14 3g17 h TYR 241 N 0.28 0.25 -0.19 1.39 3.20 -1.69 -1.71 116.97 118.50 3g17 h TYR 241 Ca 0.03 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.91 3g17 h TYR 241 Cb 0.75 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 3g17 h TYR 241 CO 0.02 0.26 0.08 1.88 -1.64 0.00 0.00 178.16 178.76 3g17 h TYR 242 N 0.16 0.16 -0.50 -3.82 0.05 -0.35 -1.62 116.97 111.04 3g17 h TYR 242 Ca 0.06 0.01 0.10 0.00 0.05 0.00 0.00 58.73 58.94 3g17 h TYR 242 Cb 0.10 -0.04 -0.08 0.00 1.01 0.00 0.00 36.73 37.72 3g17 h TYR 242 CO -0.03 0.09 0.03 -0.44 -1.05 0.00 0.00 178.16 176.75 3g17 h ASP 243 N 0.19 -0.15 -0.42 3.88 3.32 -0.86 -1.48 116.42 120.89 3g17 h ASP 243 Ca 0.08 0.11 -0.12 0.00 0.02 0.00 0.00 57.03 57.12 3g17 h ASP 243 Cb 0.03 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3g17 h ASP 243 CO -0.06 -0.05 -0.20 -0.29 -1.72 0.00 0.00 179.24 176.92 3g17 h ILE 244 N 0.15 1.27 -0.21 0.35 2.10 -0.98 -0.18 117.51 120.01 3g17 h ILE 244 Ca 0.25 -1.34 -0.10 0.00 1.08 0.00 0.00 64.86 64.75 3g17 h ILE 244 Cb 0.38 1.12 -0.01 0.00 -1.09 0.00 0.00 36.82 37.22 3g17 h ILE 244 CO -0.40 0.46 -0.31 0.58 -1.08 0.00 0.00 178.15 177.40 3g17 h VAL 245 N 0.80 1.28 -0.53 2.19 2.07 -1.06 -2.73 116.25 118.28 3g17 h VAL 245 Ca 0.11 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.26 3g17 h VAL 245 Cb 0.75 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3g17 h VAL 245 CO 0.06 0.43 0.00 1.41 0.02 0.00 0.00 177.57 179.49 3g17 n HIS 246 N -4.09 1.07 -2.90 1.57 8.25 -0.58 -4.94 115.22 113.61 3g17 n HIS 246 Ca -0.01 -0.45 -0.22 0.00 -0.26 0.00 0.00 57.72 56.79 3g17 n HIS 246 Cb 0.44 -0.15 0.02 0.00 1.12 0.00 0.00 29.99 31.42 3g17 n HIS 246 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3g17 n GLN 247 N 0.93 -4.12 -3.10 -0.41 6.02 -0.90 -5.01 117.38 110.80 3g17 n GLN 247 Ca 0.20 0.91 -0.21 0.00 -0.01 0.00 0.00 57.00 57.89 3g17 n GLN 247 Cb 0.66 -5.72 0.01 0.00 1.02 0.00 0.00 30.24 26.21 3g17 n GLN 247 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3g17 s GLN 248 N -5.57 2.97 0.83 -1.09 -1.52 -0.13 -5.02 119.66 110.12 3g17 s GLN 248 Ca 0.24 -0.80 -0.12 0.00 -1.95 0.00 0.00 55.36 52.73 3g17 s GLN 248 Cb -0.11 -2.66 0.10 0.00 -0.22 0.00 0.00 33.01 30.12 3g17 s GLN 248 CO 0.30 -0.23 1.16 -2.14 -0.25 0.00 0.00 175.29 174.12 3g17 s PRO 249 N -4.44 1.59 0.26 2.91 0.02 -1.26 -4.52 135.00 129.57 3g17 s PRO 249 Ca 0.49 1.56 0.08 0.00 0.02 0.00 0.00 61.00 63.15 3g17 s PRO 249 Cb -0.10 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 3g17 s PRO 249 CO 0.35 -2.21 0.16 -0.51 -0.33 0.00 0.00 177.00 174.47 3g17 s LEU 250 N -6.01 3.66 -0.15 -5.54 1.43 -1.26 -4.87 118.68 105.94 3g17 s LEU 250 Ca 0.68 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.44 3g17 s LEU 250 Cb -0.24 -2.19 0.26 0.00 0.03 0.00 0.00 46.19 44.04 3g17 s LEU 250 CO 0.53 -0.06 1.28 -0.62 0.23 0.00 0.00 176.35 177.71 3g17 n GLU 251 N -1.14 1.63 -0.25 1.70 1.02 -1.26 -4.63 120.64 117.70 3g17 n GLU 251 Ca -0.07 -1.13 -0.04 0.00 -0.02 0.00 0.00 57.16 55.90 3g17 n GLU 251 Cb 0.58 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.57 3g17 n GLU 251 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3g17 h VAL 252 N 0.56 1.15 0.00 2.62 3.04 -1.97 -2.81 116.25 118.84 3g17 h VAL 252 Ca 0.20 -0.32 -0.01 0.00 -1.01 0.00 0.00 66.70 65.56 3g17 h VAL 252 Cb 1.60 0.14 -0.00 0.00 -2.01 0.00 0.00 31.29 31.02 3g17 h VAL 252 CO 0.38 0.17 -0.03 -0.33 -1.01 0.00 0.00 177.57 176.75 3g17 h GLU 253 N 0.93 0.00 -0.00 4.17 4.39 -1.95 0.79 114.58 122.90 3g17 h GLU 253 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 3g17 h GLU 253 Cb -0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3g17 h GLU 253 CO -0.07 0.03 -0.60 0.00 -1.16 0.00 0.00 179.01 177.20 3g17 n ALA 254 N -2.47 3.83 -2.00 3.43 0.00 -1.07 -2.08 120.51 120.16 3g17 n ALA 254 Ca -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3g17 n ALA 254 Cb 0.11 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3g17 n ALA 254 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3g17 n ILE 255 N -1.07 0.00 -0.22 0.00 5.41 -0.61 -1.18 119.36 121.70 3g17 n ILE 255 Ca 0.07 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.81 3g17 n ILE 255 Cb 0.36 -0.05 0.10 0.00 -0.71 0.00 0.00 39.64 39.34 3g17 n ILE 255 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3g17 h GLN 256 N 0.00 0.59 -0.69 0.38 7.50 -1.69 -1.61 115.11 119.59 3g17 h GLN 256 Ca 0.00 -0.04 0.04 0.00 0.50 0.00 0.00 58.65 59.16 3g17 h GLN 256 Cb 0.00 -0.13 -0.05 0.00 0.05 0.00 0.00 27.48 27.35 3g17 h GLN 256 CO 0.00 0.39 0.41 0.78 -1.50 0.00 0.00 178.83 178.91 3g17 h GLY 257 N 0.61 1.00 0.94 3.46 0.00 -1.05 0.75 103.07 108.78 3g17 h GLY 257 Ca 0.30 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 3g17 h GLY 257 CO -0.22 0.22 0.14 -2.75 0.00 0.00 0.00 176.54 173.94 3g17 h PHE 258 N 0.78 0.61 -0.57 5.60 3.57 -0.79 -0.57 116.94 125.56 3g17 h PHE 258 Ca 0.29 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.67 3g17 h PHE 258 Cb 0.10 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 3g17 h PHE 258 CO -0.06 0.55 0.10 0.82 -2.23 0.00 0.00 178.31 177.50 3g17 h ILE 259 N 0.48 1.25 -0.26 1.41 2.04 -1.00 -2.65 117.51 118.79 3g17 h ILE 259 Ca 0.13 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 65.05 3g17 h ILE 259 Cb 0.22 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3g17 h ILE 259 CO -0.01 0.35 0.10 0.22 0.00 0.00 0.00 178.15 178.82 3g17 h TYR 260 N 0.84 0.19 -0.51 1.37 5.03 -0.60 -0.95 116.97 122.33 3g17 h TYR 260 Ca 0.17 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.47 3g17 h TYR 260 Cb 0.40 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.61 3g17 h TYR 260 CO 0.03 0.10 0.20 0.00 -1.32 0.00 0.00 178.16 177.16 3g17 h ARG 261 N 0.23 0.74 0.00 1.82 3.08 -1.03 -0.96 114.38 118.26 3g17 h ARG 261 Ca 0.11 -0.11 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 3g17 h ARG 261 Cb 0.06 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3g17 h ARG 261 CO -0.10 0.61 -0.50 0.00 -1.07 0.00 0.00 179.97 178.92 3g17 h ARG 262 N 0.73 0.00 -0.17 0.04 2.47 -1.27 -2.26 114.38 113.91 3g17 h ARG 262 Ca 0.18 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.88 3g17 h ARG 262 Cb 0.16 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 3g17 h ARG 262 CO -0.02 0.50 0.04 0.00 0.56 0.00 0.00 179.97 181.05 3g17 h ALA 263 N 1.50 0.23 -0.40 0.04 0.00 0.15 -2.51 119.26 118.27 3g17 h ALA 263 Ca -0.01 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3g17 h ALA 263 Cb 1.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3g17 h ALA 263 CO 0.07 -0.12 -0.18 0.00 0.00 0.00 0.00 179.25 179.02 3g17 h ARG 264 N 0.08 0.76 -0.27 0.00 2.47 -1.32 0.00 114.38 116.10 3g17 h ARG 264 Ca 0.05 -0.28 0.01 0.00 -1.26 0.00 0.00 59.98 58.50 3g17 h ARG 264 Cb 0.28 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.54 3g17 h ARG 264 CO 0.00 0.89 0.15 1.49 0.56 0.00 0.00 179.97 183.06 3g17 h GLU 265 N 0.67 0.30 -0.12 0.04 4.57 -1.39 -1.38 114.58 117.27 3g17 h GLU 265 Ca 0.10 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 3g17 h GLU 265 Cb 0.67 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 3g17 h GLU 265 CO 0.05 0.20 0.00 0.72 -1.18 0.00 0.00 179.01 178.80 3g17 n HIS 266 N -4.95 0.16 -3.99 0.92 8.25 -0.95 -4.93 115.22 109.74 3g17 n HIS 266 Ca -0.02 -0.08 -0.26 0.00 -0.26 0.00 0.00 57.72 57.10 3g17 n HIS 266 Cb 0.05 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.13 3g17 n HIS 266 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3g17 n ASN 267 N -0.15 -0.29 -4.97 0.41 5.15 -0.52 -4.97 115.26 109.92 3g17 n ASN 267 Ca 0.07 -1.04 -0.22 0.00 -0.60 0.00 0.00 54.58 52.79 3g17 n ASN 267 Cb 0.13 -2.89 0.02 0.00 -0.53 0.00 0.00 39.78 36.52 3g17 n ASN 267 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3g17 s LEU 268 N -7.00 3.51 -0.43 1.20 1.43 -0.08 -5.01 118.68 112.29 3g17 s LEU 268 Ca 0.02 0.09 -0.10 0.00 -1.03 0.00 0.00 54.13 53.10 3g17 s LEU 268 Cb -0.01 -2.98 0.08 0.00 0.03 0.00 0.00 46.19 43.31 3g17 s LEU 268 CO 0.90 -0.87 0.29 -0.62 0.23 0.00 0.00 176.35 176.28 3g17 s ASP 269 N -4.31 5.72 -0.48 2.29 -1.08 -1.26 -4.79 116.67 112.76 3g17 s ASP 269 Ca 0.52 -1.51 0.07 0.00 -0.52 0.00 0.00 52.55 51.11 3g17 s ASP 269 Cb -0.10 -2.02 0.24 0.00 -1.46 0.00 0.00 42.92 39.58 3g17 s ASP 269 CO 0.37 -0.57 0.58 0.35 0.52 0.00 0.00 175.17 176.43 3g17 n THR 270 N 4.96 0.31 -0.21 1.71 -2.24 -1.26 -4.99 114.28 112.56 3g17 n THR 270 Ca -0.10 -4.39 -0.02 0.00 -2.27 0.00 0.00 64.05 57.27 3g17 n THR 270 Cb 0.43 -1.99 0.19 0.00 -2.10 0.00 0.00 70.33 66.85 3g17 n THR 270 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3g17 h PRO 271 N 4.18 0.99 -0.08 -0.78 0.13 -1.98 0.11 132.00 134.56 3g17 h PRO 271 Ca 0.12 -0.13 -0.17 0.00 -0.87 0.00 0.00 66.00 64.95 3g17 h PRO 271 Cb 0.81 -0.19 0.01 0.00 0.13 0.00 0.00 31.00 31.76 3g17 h PRO 271 CO 0.58 0.76 -0.62 1.88 -0.23 0.00 0.00 178.00 180.37 3g17 h TYR 272 N 0.99 0.78 -0.43 1.56 0.05 -1.94 -1.54 116.97 116.44 3g17 h TYR 272 Ca 0.24 -0.37 0.00 0.00 0.05 0.00 0.00 58.73 58.66 3g17 h TYR 272 Cb 0.09 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 3g17 h TYR 272 CO 0.01 1.17 0.27 1.25 -1.05 0.00 0.00 178.16 179.81 3g17 h LEU 273 N 0.17 0.50 -0.32 3.88 5.85 -1.85 -1.42 115.31 122.13 3g17 h LEU 273 Ca -0.05 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3g17 h LEU 273 Cb 1.27 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3g17 h LEU 273 CO 0.13 0.39 0.19 0.44 -0.34 0.00 0.00 178.44 179.24 3g17 h ASP 274 N 0.57 0.38 -0.41 1.25 3.32 -0.92 0.13 116.42 120.74 3g17 h ASP 274 Ca 0.16 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 3g17 h ASP 274 Cb -0.03 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3g17 h ASP 274 CO -0.03 0.33 -0.02 0.00 -1.72 0.00 0.00 179.24 177.80 3g17 h THR 275 N 0.41 1.26 -0.24 0.35 1.03 -1.02 -0.68 112.91 114.02 3g17 h THR 275 Ca 0.11 -1.06 0.01 0.00 -0.01 0.00 0.00 66.41 65.47 3g17 h THR 275 Cb 0.02 1.13 -0.02 0.00 -1.07 0.00 0.00 68.15 68.21 3g17 h THR 275 CO -0.02 0.36 0.12 0.40 -0.01 0.00 0.00 175.52 176.37 3g17 h ILE 276 N 0.57 1.01 -0.66 0.00 5.03 -1.16 -2.46 117.51 119.83 3g17 h ILE 276 Ca 0.11 -0.09 -0.01 0.00 -0.12 0.00 0.00 64.86 64.76 3g17 h ILE 276 Cb 0.51 0.72 -0.03 0.00 -3.03 0.00 0.00 36.82 34.99 3g17 h ILE 276 CO 0.03 0.05 0.39 0.22 -0.68 0.00 0.00 178.15 178.15 3g17 h TYR 277 N 0.26 0.89 -0.65 1.37 3.20 -0.57 -2.33 116.97 119.14 3g17 h TYR 277 Ca 0.09 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 3g17 h TYR 277 Cb 0.01 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 37.96 3g17 h TYR 277 CO -0.09 0.62 0.20 0.66 -1.64 0.00 0.00 178.16 177.91 3g17 h SER 278 N 0.90 0.93 -0.64 -2.11 4.64 -0.86 -0.30 113.55 116.11 3g17 h SER 278 Ca 0.24 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.34 3g17 h SER 278 Cb 0.00 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 61.82 3g17 h SER 278 CO -0.04 0.87 0.20 -0.26 -0.87 0.00 0.00 176.83 176.73 3g17 h PHE 279 N 0.96 1.05 0.00 4.77 0.04 -1.23 -0.70 116.94 121.84 3g17 h PHE 279 Ca 0.21 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 3g17 h PHE 279 Cb 0.28 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.12 3g17 h PHE 279 CO 0.02 0.84 -0.00 -0.07 -0.60 0.00 0.00 178.31 178.50 3g17 h LEU 280 N 0.98 -0.00 -0.77 1.54 4.07 -1.00 -1.04 115.31 119.09 3g17 h LEU 280 Ca 0.22 -0.17 0.04 0.00 0.08 0.00 0.00 57.88 58.04 3g17 h LEU 280 Cb 0.29 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.98 3g17 h LEU 280 CO -0.01 0.17 0.49 -0.09 -1.08 0.00 0.00 178.44 177.92 3g17 h ARG 281 N -0.17 0.91 -0.36 1.13 9.65 -1.04 -1.17 114.38 123.34 3g17 h ARG 281 Ca -0.00 -0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 58.75 3g17 h ARG 281 Cb 0.17 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.53 3g17 h ARG 281 CO 0.00 0.60 -0.07 0.00 2.80 0.00 0.00 179.97 183.30 3g17 h ALA 282 N 1.34 1.21 0.10 2.80 0.00 -0.86 -1.18 119.26 122.65 3g17 h ALA 282 Ca 0.32 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3g17 h ALA 282 Cb 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3g17 h ALA 282 CO -0.12 0.51 -0.05 -0.92 0.00 0.00 0.00 179.25 178.67 3g17 h TYR 283 N 0.55 -0.12 -0.51 0.00 3.20 -0.50 -2.71 116.97 116.88 3g17 h TYR 283 Ca 0.11 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.08 3g17 h TYR 283 Cb 0.47 0.04 -0.10 0.00 1.54 0.00 0.00 36.73 38.68 3g17 h TYR 283 CO 0.02 -0.01 -0.13 1.96 -1.64 0.00 0.00 178.16 178.35 3g17 h GLN 284 N -0.19 -0.00 0.00 1.82 1.08 -0.76 -0.73 115.11 116.32 3g17 h GLN 284 Ca -0.01 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 3g17 h GLN 284 Cb 0.16 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 3g17 h GLN 284 CO 0.02 -0.00 -0.12 1.96 -0.95 0.00 0.00 178.83 179.74 3g17 h GLN 285 N -0.00 0.00 0.14 1.46 7.50 -1.16 -1.24 115.11 121.80 3g17 h GLN 285 Ca 0.24 0.00 -0.24 0.00 0.50 0.00 0.00 58.65 59.15 3g17 h GLN 285 Cb 0.38 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.92 3g17 h GLN 285 CO -0.53 0.12 -1.14 -0.97 -1.50 0.00 0.00 178.83 174.81 3g17 h ASN 286 N 0.00 0.47 -0.83 1.46 -1.24 -1.05 -3.30 115.58 111.10 3g17 h ASN 286 Ca -0.00 -0.91 0.08 0.00 0.71 0.00 0.00 56.30 56.18 3g17 h ASN 286 Cb 0.26 -0.15 -0.06 0.00 0.73 0.00 0.00 38.32 39.11 3g17 h ASN 286 CO 0.02 1.52 0.54 -0.08 -1.29 0.00 0.00 177.43 178.14 3g17 h GLU 287 N -0.29 0.84 0.00 6.67 4.22 -0.91 -3.52 114.58 121.60 3g17 h GLU 287 Ca -0.22 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.17 3g17 h GLU 287 Cb 1.75 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.81 3g17 h GLU 287 CO 0.13 0.56 0.00 0.41 -2.18 0.00 0.00 179.01 177.92