#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 6.93 -0.03 1.96 1.04 -1.26 -4.97 113.70 117.38 3g17 s SER 4 Ca 0.00 1.23 0.02 0.00 0.48 0.00 0.00 55.95 57.68 3g17 s SER 4 Cb 0.00 -2.35 0.01 0.00 0.10 0.00 0.00 66.02 63.78 3g17 s SER 4 CO 0.00 0.08 -0.08 -0.69 0.98 0.00 0.00 173.24 173.52 3g17 s VAL 5 N -1.48 0.76 0.03 5.02 1.01 -1.26 -1.42 120.40 123.05 3g17 s VAL 5 Ca 0.40 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 62.11 3g17 s VAL 5 Cb -0.16 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 3g17 s VAL 5 CO 0.20 0.24 -0.19 0.00 0.00 0.00 0.00 175.10 175.36 3g17 s ALA 6 N 0.32 1.58 -0.18 5.51 0.00 0.13 -1.97 121.76 127.14 3g17 s ALA 6 Ca -0.05 -0.96 -0.03 0.00 0.00 0.00 0.00 51.96 50.92 3g17 s ALA 6 Cb -0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 3g17 s ALA 6 CO 0.01 0.35 -0.06 0.42 0.00 0.00 0.00 175.76 176.48 3g17 s ILE 7 N -0.75 3.53 -0.23 0.00 1.09 0.69 -0.37 121.20 125.17 3g17 s ILE 7 Ca 0.06 -0.47 -0.06 0.00 -1.10 0.00 0.00 60.65 59.08 3g17 s ILE 7 Cb -0.08 -2.56 -0.02 0.00 -1.06 0.00 0.00 42.46 38.73 3g17 s ILE 7 CO 0.01 0.47 0.04 -0.63 -0.10 0.00 0.00 174.94 174.73 3g17 s ILE 8 N 0.79 4.10 0.00 2.92 1.01 0.65 -0.41 121.20 130.26 3g17 s ILE 8 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.38 3g17 s ILE 8 Cb -0.15 -2.90 0.00 0.00 0.01 0.00 0.00 42.46 39.42 3g17 s ILE 8 CO 0.02 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.94 3g17 n GLY 9 N 4.74 1.12 2.16 6.18 0.00 -0.51 0.05 105.19 118.93 3g17 n GLY 9 Ca -0.17 -0.62 -0.19 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 2.32 -0.03 1.61 -0.04 -1.26 -3.80 135.00 133.81 3g17 n PRO 10 Ca 0.00 -1.51 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 3g17 n PRO 10 Cb 0.00 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 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 2.16 -0.27 0.29 0.55 0.00 -1.26 -4.73 105.19 101.92 3g17 n GLY 11 Ca 0.48 -1.72 -0.16 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.76 -0.67 -0.29 4.61 0.00 -1.88 -2.27 119.26 117.00 3g17 h ALA 12 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3g17 h ALA 12 Cb 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3g17 h ALA 12 CO 0.00 -0.88 0.16 0.28 0.00 0.00 0.00 179.25 178.81 3g17 h VAL 13 N -0.68 1.12 -0.25 0.00 2.07 -1.90 -2.55 116.25 114.06 3g17 h VAL 13 Ca -0.07 -0.30 -0.11 0.00 0.82 0.00 0.00 66.70 67.03 3g17 h VAL 13 Cb 0.52 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3g17 h VAL 13 CO 0.11 0.12 -0.32 1.23 0.02 0.00 0.00 177.57 178.73 3g17 h GLY 14 N 0.35 0.58 0.74 2.17 0.00 -1.65 -2.05 103.07 103.22 3g17 h GLY 14 Ca 0.10 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 3g17 h GLY 14 CO -0.02 0.48 -0.08 -0.84 0.00 0.00 0.00 176.54 176.09 3g17 h THR 15 N 0.46 1.32 -0.30 4.70 2.02 -1.41 -0.64 112.91 119.07 3g17 h THR 15 Ca 0.05 -1.13 0.05 0.00 0.77 0.00 0.00 66.41 66.16 3g17 h THR 15 Cb 0.79 1.76 -0.04 0.00 -1.74 0.00 0.00 68.15 68.91 3g17 h THR 15 CO 0.06 0.33 0.02 0.74 0.37 0.00 0.00 175.52 177.04 3g17 h THR 16 N -0.03 0.81 -0.30 3.16 2.02 -1.34 0.22 112.91 117.44 3g17 h THR 16 Ca 0.03 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3g17 h THR 16 Cb 0.55 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3g17 h THR 16 CO 0.02 0.02 0.16 0.40 0.37 0.00 0.00 175.52 176.49 3g17 h ILE 17 N 0.11 1.13 0.07 3.11 2.04 -1.36 -1.17 117.51 121.44 3g17 h ILE 17 Ca 0.14 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 3g17 h ILE 17 Cb 0.18 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3g17 h ILE 17 CO -0.22 0.14 -0.05 0.00 0.00 0.00 0.00 178.15 178.01 3g17 h ALA 18 N 1.03 -0.11 -0.14 1.87 0.00 -0.84 -1.55 119.26 119.52 3g17 h ALA 18 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3g17 h ALA 18 Cb 0.07 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3g17 h ALA 18 CO -0.02 -0.57 0.08 -0.92 0.00 0.00 0.00 179.25 177.83 3g17 h TYR 19 N -0.12 0.15 -0.09 0.00 3.20 -0.40 -0.50 116.97 119.22 3g17 h TYR 19 Ca -0.00 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.89 3g17 h TYR 19 Cb 0.11 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 3g17 h TYR 19 CO -0.09 0.10 -0.04 0.93 -1.64 0.00 0.00 178.16 177.42 3g17 h GLU 20 N 0.17 -0.03 -0.06 1.82 4.39 -1.21 -2.51 114.58 117.15 3g17 h GLU 20 Ca 0.05 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 3g17 h GLU 20 Cb -0.01 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3g17 h GLU 20 CO -0.02 -0.02 -0.01 -0.07 -1.16 0.00 0.00 179.01 177.74 3g17 h LEU 21 N -0.03 0.08 -0.70 1.33 3.38 -1.17 -1.60 115.31 116.60 3g17 h LEU 21 Ca 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3g17 h LEU 21 Cb 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3g17 h LEU 21 CO -0.11 0.10 0.00 1.56 0.09 0.00 0.00 178.44 180.09 3g17 h GLN 22 N 0.09 0.00 0.00 1.13 4.20 -0.64 -0.44 115.11 119.45 3g17 h GLN 22 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3g17 h GLN 22 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3g17 h GLN 22 CO 0.00 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.20 3g17 n GLN 23 N -2.42 0.17 0.00 1.46 1.13 -0.60 -3.70 117.38 113.42 3g17 n GLN 23 Ca 0.02 0.28 0.00 0.00 -1.94 0.00 0.00 57.00 55.36 3g17 n GLN 23 Cb 0.28 -1.76 0.00 0.00 0.11 0.00 0.00 30.24 28.88 3g17 n GLN 23 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 3g17 n SER 24 N -2.06 1.48 -3.57 1.08 3.41 -1.03 -4.92 113.62 108.02 3g17 n SER 24 Ca 0.04 -0.02 -0.28 0.00 -0.26 0.00 0.00 58.87 58.35 3g17 n SER 24 Cb 0.30 0.33 -0.12 0.00 -0.26 0.00 0.00 64.21 64.47 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 -0.96 2.13 0.00 1.04 1.43 -0.20 -5.03 118.68 117.09 3g17 s LEU 25 Ca 0.00 -2.86 0.19 0.00 -1.03 0.00 0.00 54.13 50.44 3g17 s LEU 25 Cb 0.00 -0.76 0.83 0.00 0.03 0.00 0.00 46.19 46.30 3g17 s LEU 25 CO 0.00 -0.22 1.62 -2.65 0.23 0.00 0.00 176.35 175.33 3g17 n PRO 26 N 3.18 0.02 0.00 1.29 -0.02 -1.24 -1.81 135.00 136.43 3g17 n PRO 26 Ca 0.19 0.16 0.15 0.00 -2.02 0.00 0.00 63.50 61.98 3g17 n PRO 26 Cb 0.40 -1.50 0.86 0.00 -0.02 0.00 0.00 33.50 33.24 3g17 n PRO 26 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3g17 n HIS 27 N -1.48 0.00 -1.78 6.00 8.25 -1.26 -4.87 115.22 120.07 3g17 n HIS 27 Ca 0.05 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.10 3g17 n HIS 27 Cb 0.22 -0.03 -0.00 0.00 1.12 0.00 0.00 29.99 31.29 3g17 n HIS 27 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3g17 s THR 28 N -2.06 2.02 -0.11 1.59 2.01 -0.75 -4.77 115.64 113.57 3g17 s THR 28 Ca 0.42 0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.48 3g17 s THR 28 Cb 0.20 -3.01 0.01 0.00 0.01 0.00 0.00 72.50 69.70 3g17 s THR 28 CO 0.35 0.00 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.18 3g17 s THR 29 N -0.86 1.96 -0.25 -0.82 2.01 -0.83 -4.93 115.64 111.91 3g17 s THR 29 Ca 0.55 -0.95 -0.13 0.00 0.31 0.00 0.00 61.69 61.48 3g17 s THR 29 Cb -0.47 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 3g17 s THR 29 CO 0.60 0.54 0.28 -0.22 -0.69 0.00 0.00 174.62 175.13 3g17 s LEU 30 N 0.56 4.07 -0.01 4.42 2.96 -1.26 -0.22 118.68 129.21 3g17 s LEU 30 Ca -0.14 0.21 0.08 0.00 -0.22 0.00 0.00 54.13 54.05 3g17 s LEU 30 Cb -0.17 -2.28 -0.02 0.00 0.50 0.00 0.00 46.19 44.22 3g17 s LEU 30 CO 0.04 -0.07 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.13 3g17 s ILE 31 N 1.61 1.89 0.00 6.68 1.01 0.45 -0.37 121.20 132.47 3g17 s ILE 31 Ca 0.12 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.70 3g17 s ILE 31 Cb -0.15 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.74 3g17 s ILE 31 CO 0.09 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.13 3g17 n GLY 32 N 2.38 3.52 0.19 6.18 0.00 -0.14 -1.42 105.19 115.90 3g17 n GLY 32 Ca -0.16 -1.32 -0.04 0.00 0.00 0.00 0.00 46.02 44.50 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 0.30 -4.32 1.61 3.08 -1.96 -1.63 114.38 111.46 3g17 h ARG 33 Ca 0.00 -0.02 -0.22 0.00 0.07 0.00 0.00 59.98 59.81 3g17 h ARG 33 Cb 0.00 -0.07 -0.20 0.00 0.08 0.00 0.00 29.97 29.78 3g17 h ARG 33 CO 0.00 0.20 -0.71 -1.01 -1.07 0.00 0.00 179.97 177.38 3g17 s HIS 34 N -6.14 0.51 0.42 3.04 3.76 -1.26 -4.08 115.29 111.54 3g17 s HIS 34 Ca -0.13 -0.58 -0.25 0.00 -0.15 0.00 0.00 55.06 53.95 3g17 s HIS 34 Cb 0.14 -0.33 -0.10 0.00 1.11 0.00 0.00 32.58 33.40 3g17 s HIS 34 CO 0.72 -0.15 1.16 0.00 -0.85 0.00 0.00 174.74 175.62 3g17 n ALA 35 N 1.32 0.79 -3.66 -1.40 0.00 -1.26 -4.27 120.51 112.03 3g17 n ALA 35 Ca -0.22 0.25 0.01 0.00 0.00 0.00 0.00 53.44 53.49 3g17 n ALA 35 Cb 0.56 -2.18 -0.00 0.00 0.00 0.00 0.00 19.45 17.82 3g17 n ALA 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3g17 s LYS 36 N -2.11 0.42 -0.18 0.00 -2.85 -0.98 -4.93 119.74 109.11 3g17 s LYS 36 Ca 0.62 -0.24 -0.00 0.00 -1.00 0.00 0.00 55.97 55.35 3g17 s LYS 36 Cb -0.53 0.14 0.01 0.00 -2.06 0.00 0.00 37.83 35.39 3g17 s LYS 36 CO 0.57 -0.20 -0.15 0.99 0.10 0.00 0.00 175.35 176.66 3g17 s THR 37 N -2.40 2.48 0.10 3.79 2.01 -1.26 0.58 115.64 120.94 3g17 s THR 37 Ca 0.15 -0.80 -0.15 0.00 0.31 0.00 0.00 61.69 61.20 3g17 s THR 37 Cb 0.04 -2.07 -0.07 0.00 0.01 0.00 0.00 72.50 70.42 3g17 s THR 37 CO -0.03 0.51 0.52 -0.63 -0.69 0.00 0.00 174.62 174.30 3g17 s ILE 38 N 1.25 4.87 -0.18 1.82 1.01 -0.23 -4.93 121.20 124.82 3g17 s ILE 38 Ca 0.03 0.88 -0.16 0.00 0.00 0.00 0.00 60.65 61.40 3g17 s ILE 38 Cb -0.14 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 3g17 s ILE 38 CO -0.08 0.36 0.41 -0.89 0.00 0.00 0.00 174.94 174.74 3g17 s THR 39 N -1.33 5.21 -0.07 2.92 2.01 0.04 -0.72 115.64 123.70 3g17 s THR 39 Ca 0.34 0.75 0.05 0.00 0.31 0.00 0.00 61.69 63.14 3g17 s THR 39 Cb -0.16 -3.74 -0.00 0.00 0.01 0.00 0.00 72.50 68.60 3g17 s THR 39 CO 0.18 0.29 -0.23 -0.47 -0.69 0.00 0.00 174.62 173.70 3g17 s TYR 40 N 1.04 2.32 -0.25 4.92 5.04 0.22 0.14 117.35 130.77 3g17 s TYR 40 Ca 0.20 -0.79 -0.03 0.00 -2.44 0.00 0.00 57.07 54.02 3g17 s TYR 40 Cb -0.15 -1.54 0.02 0.00 0.35 0.00 0.00 41.96 40.64 3g17 s TYR 40 CO 0.08 -0.28 -0.03 0.71 -1.34 0.00 0.00 175.55 174.69 3g17 s TYR 41 N 0.07 3.07 0.39 4.97 1.51 -0.32 -1.39 117.35 125.65 3g17 s TYR 41 Ca -0.09 -1.35 0.15 0.00 -1.01 0.00 0.00 57.07 54.77 3g17 s TYR 41 Cb -0.15 -2.11 1.01 0.00 -0.11 0.00 0.00 41.96 40.60 3g17 s TYR 41 CO 0.05 -0.67 1.84 1.79 -1.11 0.00 0.00 175.55 177.45 3g17 h THR 42 N 6.02 0.69 -3.17 -0.71 1.35 -1.86 -0.87 112.91 114.36 3g17 h THR 42 Ca -0.34 -0.17 -0.10 0.00 -0.55 0.00 0.00 66.41 65.26 3g17 h THR 42 Cb 1.12 0.15 -0.18 0.00 -1.73 0.00 0.00 68.15 67.51 3g17 h THR 42 CO 0.58 0.09 -0.23 -0.69 -0.25 0.00 0.00 175.52 175.02 3g17 s VAL 43 N -5.52 0.07 0.31 6.82 1.01 -1.24 -4.49 120.40 117.36 3g17 s VAL 43 Ca -0.09 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 3g17 s VAL 43 Cb 0.23 -0.84 -0.13 0.00 0.00 0.00 0.00 36.38 35.65 3g17 s VAL 43 CO 0.79 -0.32 1.33 -2.65 0.00 0.00 0.00 175.10 174.25 3g17 n PRO 44 N 0.79 2.13 -0.89 2.72 -0.02 -1.23 -1.91 135.00 136.58 3g17 n PRO 44 Ca -0.20 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3g17 n PRO 44 Cb 0.58 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 0.81 0.00 -0.86 6.00 8.25 -1.26 -5.02 115.22 123.15 3g17 n HIS 45 Ca 0.07 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.24 3g17 n HIS 45 Cb 0.35 -1.12 0.22 0.00 1.12 0.00 0.00 29.99 30.56 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 -1.66 0.14 0.40 -1.41 0.00 -0.81 -4.98 121.76 113.44 3g17 s ALA 46 Ca 0.00 -0.30 -0.25 0.00 0.00 0.00 0.00 51.96 51.41 3g17 s ALA 46 Cb 0.00 -3.16 -0.08 0.00 0.00 0.00 0.00 23.12 19.87 3g17 s ALA 46 CO 0.00 -3.42 1.15 -2.14 0.00 0.00 0.00 175.76 171.35 3g17 s PRO 47 N -4.73 4.05 0.31 0.00 0.02 -1.26 -4.98 135.00 128.41 3g17 s PRO 47 Ca 0.67 1.79 -0.28 0.00 0.02 0.00 0.00 61.00 63.20 3g17 s PRO 47 Cb -0.22 -2.64 -0.09 0.00 0.02 0.00 0.00 34.50 31.57 3g17 s PRO 47 CO 0.61 -0.31 1.08 0.00 -0.33 0.00 0.00 177.00 178.05 3g17 s ALA 48 N -1.45 3.32 0.09 -1.55 0.00 -1.26 -4.73 121.76 116.17 3g17 s ALA 48 Ca 0.57 0.83 0.06 0.00 0.00 0.00 0.00 51.96 53.42 3g17 s ALA 48 Cb -0.29 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 3g17 s ALA 48 CO 0.37 -0.15 -0.15 -0.65 0.00 0.00 0.00 175.76 175.17 3g17 s GLN 49 N -1.71 0.91 -0.19 0.00 -0.21 -0.49 -4.96 119.66 113.01 3g17 s GLN 49 Ca 0.48 -1.04 -0.09 0.00 0.02 0.00 0.00 55.36 54.73 3g17 s GLN 49 Cb -0.29 -0.94 -0.05 0.00 1.00 0.00 0.00 33.01 32.73 3g17 s GLN 49 CO 0.37 0.21 0.11 -0.51 -2.12 0.00 0.00 175.29 173.34 3g17 s ASP 50 N -1.90 6.03 -0.10 5.90 1.01 -1.26 0.68 116.67 127.03 3g17 s ASP 50 Ca 0.01 0.19 0.03 0.00 0.71 0.00 0.00 52.55 53.50 3g17 s ASP 50 Cb -0.09 -2.05 -0.01 0.00 1.01 0.00 0.00 42.92 41.79 3g17 s ASP 50 CO 0.03 0.19 -0.21 -0.51 0.21 0.00 0.00 175.17 174.88 3g17 s ILE 51 N 0.30 2.39 0.15 0.77 2.07 0.10 -4.96 121.20 122.01 3g17 s ILE 51 Ca 0.07 -0.91 -0.30 0.00 -1.41 0.00 0.00 60.65 58.10 3g17 s ILE 51 Cb -0.11 -1.94 -0.07 0.00 0.13 0.00 0.00 42.46 40.47 3g17 s ILE 51 CO -0.01 0.55 1.12 -0.69 -1.91 0.00 0.00 174.94 174.00 3g17 s VAL 52 N 0.26 3.92 -0.10 4.00 1.01 -1.26 -1.07 120.40 127.16 3g17 s VAL 52 Ca -0.14 1.58 -0.01 0.00 0.00 0.00 0.00 61.98 63.40 3g17 s VAL 52 Cb -0.17 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 3g17 s VAL 52 CO 0.07 0.23 -0.04 -0.69 0.00 0.00 0.00 175.10 174.68 3g17 s VAL 53 N 0.09 3.94 0.02 2.92 1.01 0.20 -4.48 120.40 124.10 3g17 s VAL 53 Ca 0.52 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.13 3g17 s VAL 53 Cb -0.29 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 3g17 s VAL 53 CO 0.34 0.57 0.07 -0.54 0.00 0.00 0.00 175.10 175.54 3g17 s LYS 54 N -0.51 2.98 0.39 2.72 1.02 0.49 -2.31 119.74 124.52 3g17 s LYS 54 Ca 0.08 -0.56 -0.24 0.00 0.02 0.00 0.00 55.97 55.28 3g17 s LYS 54 Cb -0.12 -2.80 -0.10 0.00 -0.52 0.00 0.00 37.83 34.29 3g17 s LYS 54 CO 0.02 0.62 0.99 0.20 -0.92 0.00 0.00 175.35 176.26 3g17 s GLY 55 N -1.88 2.65 0.33 -3.33 0.00 -1.26 -0.96 107.32 102.87 3g17 s GLY 55 Ca 0.24 0.55 0.13 0.00 0.00 0.00 0.00 44.72 45.64 3g17 s GLY 55 CO 0.16 0.94 1.68 -0.97 0.00 0.00 0.00 173.10 174.90 3g17 h TYR 56 N 2.50 0.93 0.00 1.90 0.05 -1.44 0.12 116.97 121.04 3g17 h TYR 56 Ca -0.48 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.33 3g17 h TYR 56 Cb 1.20 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 38.69 3g17 h TYR 56 CO 0.60 -0.12 -0.05 0.93 -1.05 0.00 0.00 178.16 178.47 3g17 h GLU 57 N 0.38 0.00 0.00 4.88 5.08 -1.88 -3.13 114.58 119.91 3g17 h GLU 57 Ca 0.71 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.97 3g17 h GLU 57 Cb 1.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 3g17 h GLU 57 CO -0.58 0.05 -0.44 -0.44 -1.00 0.00 0.00 179.01 176.60 3g17 h ASP 58 N 0.00 0.00 -3.52 1.42 3.32 -1.13 -3.45 116.42 113.06 3g17 h ASP 58 Ca -0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 3g17 h ASP 58 Cb 0.90 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.33 3g17 h ASP 58 CO 0.01 0.44 -0.22 -0.69 -1.72 0.00 0.00 179.24 177.05 3g17 s VAL 59 N -3.42 5.20 -0.59 -1.35 1.01 -1.17 -4.95 120.40 115.13 3g17 s VAL 59 Ca 0.01 0.65 0.10 0.00 0.00 0.00 0.00 61.98 62.74 3g17 s VAL 59 Cb 0.10 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.69 3g17 s VAL 59 CO 0.71 0.24 0.48 0.35 0.00 0.00 0.00 175.10 176.88 3g17 n THR 60 N 4.46 0.00 -3.44 3.92 -2.24 -1.26 -5.01 114.28 110.71 3g17 n THR 60 Ca -0.09 -0.29 -0.20 0.00 -2.27 0.00 0.00 64.05 61.20 3g17 n THR 60 Cb 0.51 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.75 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 -1.82 5.24 0.33 3.42 4.22 -1.26 -5.07 114.94 119.99 3g17 s ASN 61 Ca 0.05 -0.64 0.07 0.00 -2.14 0.00 0.00 52.86 50.20 3g17 s ASN 61 Cb 0.08 -0.63 -0.02 0.00 1.28 0.00 0.00 41.25 41.95 3g17 s ASN 61 CO 0.38 -0.65 0.36 0.42 -2.04 0.00 0.00 177.10 175.56 3g17 s THR 62 N -2.42 3.89 0.11 0.54 -4.23 -1.26 -4.67 115.64 107.60 3g17 s THR 62 Ca 0.49 -1.20 0.09 0.00 -1.18 0.00 0.00 61.69 59.89 3g17 s THR 62 Cb -0.05 -3.32 -0.04 0.00 1.34 0.00 0.00 72.50 70.43 3g17 s THR 62 CO 0.29 -0.19 -0.22 -0.36 -0.54 0.00 0.00 174.62 173.60 3g17 s PHE 63 N -2.23 1.92 0.06 3.99 0.08 0.23 -4.98 117.98 117.07 3g17 s PHE 63 Ca 0.42 -0.41 0.11 0.00 0.12 0.00 0.00 56.93 57.17 3g17 s PHE 63 Cb -0.08 -1.05 0.02 0.00 -0.57 0.00 0.00 43.02 41.34 3g17 s PHE 63 CO 0.28 0.24 1.41 -0.44 -0.10 0.00 0.00 175.22 176.61 3g17 h ASP 64 N 4.02 0.00 -3.75 1.36 3.32 -1.79 -3.38 116.42 116.20 3g17 h ASP 64 Ca -0.47 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.22 3g17 h ASP 64 Cb 1.18 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.42 3g17 h ASP 64 CO 0.39 0.76 -0.76 -0.69 -1.72 0.00 0.00 179.24 177.22 3g17 s VAL 65 N -2.97 0.45 -0.08 -1.35 1.01 -0.51 -0.98 120.40 115.98 3g17 s VAL 65 Ca 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 3g17 s VAL 65 Cb 0.10 -0.42 0.03 0.00 0.00 0.00 0.00 36.38 36.08 3g17 s VAL 65 CO 0.78 0.16 0.00 -0.63 0.00 0.00 0.00 175.10 175.41 3g17 s ILE 66 N 0.27 0.38 -0.34 2.22 1.01 -0.22 -0.70 121.20 123.83 3g17 s ILE 66 Ca -0.03 0.09 -0.09 0.00 0.00 0.00 0.00 60.65 60.62 3g17 s ILE 66 Cb -0.07 -0.56 0.01 0.00 0.01 0.00 0.00 42.46 41.86 3g17 s ILE 66 CO -0.00 0.24 0.16 -0.63 0.00 0.00 0.00 174.94 174.71 3g17 s ILE 67 N 1.97 4.43 -0.32 2.92 1.01 0.51 -0.08 121.20 131.64 3g17 s ILE 67 Ca 0.05 -0.71 -0.14 0.00 0.00 0.00 0.00 60.65 59.85 3g17 s ILE 67 Cb -0.12 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 3g17 s ILE 67 CO -0.05 -0.08 0.32 -0.63 0.00 0.00 0.00 174.94 174.49 3g17 s ILE 68 N 1.55 5.21 -0.53 2.92 1.01 0.68 -0.25 121.20 131.79 3g17 s ILE 68 Ca 0.03 0.12 0.07 0.00 0.00 0.00 0.00 60.65 60.87 3g17 s ILE 68 Cb -0.18 -3.74 0.32 0.00 0.01 0.00 0.00 42.46 38.87 3g17 s ILE 68 CO 0.06 0.02 0.83 0.00 0.00 0.00 0.00 174.94 175.84 3g17 n ALA 69 N 5.28 3.77 -3.96 9.38 0.00 0.11 -0.59 120.51 134.49 3g17 n ALA 69 Ca -0.10 -4.31 -0.30 0.00 0.00 0.00 0.00 53.44 48.73 3g17 n ALA 69 Cb 0.50 -0.81 -0.00 0.00 0.00 0.00 0.00 19.45 19.13 3g17 n ALA 69 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3g17 n VAL 70 N 0.20 0.00 -2.19 0.00 0.24 -1.26 -4.50 118.33 110.81 3g17 n VAL 70 Ca 0.29 -2.26 -0.36 0.00 -2.04 0.00 0.00 64.34 59.97 3g17 n VAL 70 Cb 0.47 0.03 0.01 0.00 -1.47 0.00 0.00 33.84 32.87 3g17 n VAL 70 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3g17 s LYS 71 N -4.28 3.36 0.27 7.34 -0.14 -1.26 -4.82 119.74 120.21 3g17 s LYS 71 Ca 0.30 1.71 -0.02 0.00 -1.36 0.00 0.00 55.97 56.60 3g17 s LYS 71 Cb -0.02 -2.08 0.59 0.00 -1.68 0.00 0.00 37.83 34.64 3g17 s LYS 71 CO 0.19 -0.87 1.63 1.79 -0.76 0.00 0.00 175.35 177.33 3g17 h THR 72 N 1.29 0.30 0.00 2.17 1.35 -1.95 0.18 112.91 116.25 3g17 h THR 72 Ca -0.50 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 3g17 h THR 72 Cb 1.27 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 3g17 h THR 72 CO 0.57 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.87 3g17 n HIS 73 N -5.30 0.00 1.15 4.73 1.44 -1.26 -3.04 115.22 112.93 3g17 n HIS 73 Ca 0.18 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 56.01 3g17 n HIS 73 Cb 0.60 -0.33 0.21 0.00 0.12 0.00 0.00 29.99 30.59 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 -1.33 1.43 -0.05 -1.40 6.02 0.62 -4.59 117.38 118.09 3g17 n GLN 74 Ca 0.10 -1.06 -0.13 0.00 -0.01 0.00 0.00 57.00 55.90 3g17 n GLN 74 Cb 0.20 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 29.98 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 2.59 0.86 -1.28 1.08 5.85 -1.48 -3.14 115.31 119.79 3g17 h LEU 75 Ca 0.00 -0.46 0.07 0.00 0.84 0.00 0.00 57.88 58.33 3g17 h LEU 75 Cb 0.70 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 3g17 h LEU 75 CO 0.00 1.23 0.53 0.44 -0.34 0.00 0.00 178.44 180.30 3g17 h ASP 76 N 0.60 0.75 1.37 1.25 3.32 -1.83 -1.77 116.42 120.11 3g17 h ASP 76 Ca 0.01 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3g17 h ASP 76 Cb 1.13 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.53 3g17 h ASP 76 CO 0.12 0.48 0.00 0.00 -1.72 0.00 0.00 179.24 178.11 3g17 n ALA 77 N -2.43 2.27 0.04 3.45 0.00 -1.19 -2.79 120.51 119.87 3g17 n ALA 77 Ca 0.12 -0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.36 3g17 n ALA 77 Cb 0.23 -1.47 -0.07 0.00 0.00 0.00 0.00 19.45 18.14 3g17 n ALA 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g17 h VAL 78 N 0.00 1.32 -0.80 0.00 2.07 -1.36 -3.40 116.25 114.09 3g17 h VAL 78 Ca 0.00 -2.26 0.16 0.00 0.82 0.00 0.00 66.70 65.42 3g17 h VAL 78 Cb 0.68 2.32 -0.15 0.00 -1.52 0.00 0.00 31.29 32.62 3g17 h VAL 78 CO 0.00 0.69 -0.19 0.40 0.02 0.00 0.00 177.57 178.49 3g17 h ILE 79 N 0.36 0.20 -0.35 4.57 1.08 -1.31 -0.28 117.51 121.79 3g17 h ILE 79 Ca -0.10 -0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.34 3g17 h ILE 79 Cb 1.60 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.53 3g17 h ILE 79 CO 0.18 0.00 0.08 -0.65 -0.69 0.00 0.00 178.15 177.07 3g17 h PRO 80 N 0.00 0.51 -0.40 2.37 0.11 -1.77 -1.24 132.00 131.59 3g17 h PRO 80 Ca 0.39 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.41 3g17 h PRO 80 Cb 0.59 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 3g17 h PRO 80 CO -0.82 0.48 0.21 0.45 -0.21 0.00 0.00 178.00 178.10 3g17 h HIS 81 N 0.50 0.53 -0.45 0.65 3.86 -1.30 -2.70 115.15 116.24 3g17 h HIS 81 Ca 0.12 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.37 3g17 h HIS 81 Cb 0.21 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.48 3g17 h HIS 81 CO 0.01 0.38 0.30 -0.07 0.86 0.00 0.00 177.93 179.41 3g17 h LEU 82 N 0.55 0.38 -1.72 2.43 3.38 -1.05 -1.75 115.31 117.53 3g17 h LEU 82 Ca 0.14 -0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.28 3g17 h LEU 82 Cb 0.03 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 3g17 h LEU 82 CO -0.02 0.25 0.51 0.74 0.09 0.00 0.00 178.44 180.01 3g17 h THR 83 N 0.43 0.73 0.00 0.22 2.02 -1.53 0.12 112.91 114.91 3g17 h THR 83 Ca 0.19 -0.09 -0.16 0.00 0.77 0.00 0.00 66.41 67.12 3g17 h THR 83 Cb 0.22 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 3g17 h THR 83 CO -0.05 0.05 -2.14 -1.22 0.37 0.00 0.00 175.52 172.53 3g17 n TYR 84 N -4.43 0.00 0.02 3.16 4.01 -0.80 -4.53 117.16 114.59 3g17 n TYR 84 Ca 0.15 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.95 3g17 n TYR 84 Cb 0.63 -0.70 -0.10 0.00 -0.31 0.00 0.00 39.34 38.86 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 -2.46 0.42 -4.74 7.72 4.77 -0.72 -4.52 117.00 117.47 3g17 n LEU 85 Ca -0.16 0.17 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 3g17 n LEU 85 Cb 0.81 0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.88 3g17 n LEU 85 CO 0.43 0.03 -0.27 0.00 -1.33 0.00 0.00 177.39 176.25 3g17 s ALA 86 N -3.24 3.47 0.56 -1.18 0.00 0.40 -0.60 121.76 121.17 3g17 s ALA 86 Ca -0.05 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.17 3g17 s ALA 86 Cb 0.11 -1.57 0.09 0.00 0.00 0.00 0.00 23.12 21.75 3g17 s ALA 86 CO 0.85 0.63 0.76 -2.39 0.00 0.00 0.00 175.76 175.61 3g17 n HIS 87 N 1.71 -2.44 0.03 0.00 1.44 -1.26 -4.77 115.22 109.93 3g17 n HIS 87 Ca -0.16 -1.90 0.03 0.00 -2.01 0.00 0.00 57.72 53.68 3g17 n HIS 87 Cb 0.53 -0.53 0.41 0.00 0.12 0.00 0.00 29.99 30.52 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 0.48 -0.03 -1.40 9.09 -1.99 -2.71 114.58 118.02 3g17 h GLU 88 Ca -0.26 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.11 3g17 h GLU 88 Cb 1.14 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 28.15 3g17 h GLU 88 CO 0.35 0.38 -0.09 -0.25 0.05 0.00 0.00 179.01 179.45 3g17 n ASP 89 N -4.42 2.73 -4.57 3.06 8.00 -1.26 -4.55 116.55 115.55 3g17 n ASP 89 Ca 0.02 -1.86 -0.51 0.00 0.71 0.00 0.00 54.79 53.15 3g17 n ASP 89 Cb 0.12 0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 41.26 3g17 n ASP 89 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3g17 n THR 90 N 1.03 0.60 -2.99 -3.53 -1.04 -1.03 -4.87 114.28 102.45 3g17 n THR 90 Ca 0.13 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.05 61.57 3g17 n THR 90 Cb 0.55 -0.72 -0.05 0.00 -1.82 0.00 0.00 70.33 68.28 3g17 n THR 90 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3g17 s LEU 91 N 0.64 4.11 -0.28 -4.42 2.96 -0.15 -4.31 118.68 117.24 3g17 s LEU 91 Ca 0.78 0.55 -0.09 0.00 -0.22 0.00 0.00 54.13 55.15 3g17 s LEU 91 Cb -0.92 -2.99 -0.02 0.00 0.50 0.00 0.00 46.19 42.75 3g17 s LEU 91 CO 0.51 -0.59 0.12 -0.63 -1.32 0.00 0.00 176.35 174.43 3g17 s ILE 92 N 2.88 4.49 -0.27 6.68 1.01 0.08 -1.05 121.20 135.01 3g17 s ILE 92 Ca 0.30 -0.30 -0.07 0.00 0.00 0.00 0.00 60.65 60.59 3g17 s ILE 92 Cb -0.14 -3.21 -0.00 0.00 0.01 0.00 0.00 42.46 39.12 3g17 s ILE 92 CO 0.13 0.19 0.06 -0.63 0.00 0.00 0.00 174.94 174.69 3g17 s ILE 93 N 1.62 4.00 -0.77 2.92 1.01 0.89 -0.14 121.20 130.72 3g17 s ILE 93 Ca 0.05 -0.52 -0.23 0.00 0.00 0.00 0.00 60.65 59.95 3g17 s ILE 93 Cb -0.16 -2.98 0.07 0.00 0.01 0.00 0.00 42.46 39.40 3g17 s ILE 93 CO 0.05 0.19 1.12 -0.76 0.00 0.00 0.00 174.94 175.55 3g17 s LEU 94 N 1.53 4.15 -1.28 2.97 1.43 0.20 -0.23 118.68 127.45 3g17 s LEU 94 Ca 0.04 -1.14 -0.12 0.00 -1.03 0.00 0.00 54.13 51.88 3g17 s LEU 94 Cb -0.16 -2.46 0.15 0.00 0.03 0.00 0.00 46.19 43.74 3g17 s LEU 94 CO 0.02 -1.46 1.76 0.00 0.23 0.00 0.00 176.35 176.91 3g17 n ALA 95 N 7.97 4.77 -2.25 4.21 0.00 0.24 -0.20 120.51 135.26 3g17 n ALA 95 Ca 0.08 -4.21 -0.14 0.00 0.00 0.00 0.00 53.44 49.17 3g17 n ALA 95 Cb 0.48 -3.11 -0.10 0.00 0.00 0.00 0.00 19.45 16.71 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 1.36 1.13 0.77 0.00 -0.21 -1.22 -4.44 119.66 117.04 3g17 s GLN 96 Ca 0.43 -1.54 -0.11 0.00 0.02 0.00 0.00 55.36 54.15 3g17 s GLN 96 Cb 0.06 -0.30 0.06 0.00 1.00 0.00 0.00 33.01 33.84 3g17 s GLN 96 CO -0.00 -0.13 1.13 -0.80 -2.12 0.00 0.00 175.29 173.37 3g17 s ASN 97 N -3.18 4.73 0.00 5.90 0.01 -1.26 -4.70 114.94 116.44 3g17 s ASN 97 Ca 0.24 0.76 0.00 0.00 -0.71 0.00 0.00 52.86 53.15 3g17 s ASN 97 Cb 0.06 -1.34 0.00 0.00 0.41 0.00 0.00 41.25 40.38 3g17 s ASN 97 CO 0.04 -1.74 0.00 0.61 -1.51 0.00 0.00 177.10 174.51 3g17 n GLY 98 N -3.17 -1.92 3.15 0.66 0.00 -1.26 -4.67 105.19 97.98 3g17 n GLY 98 Ca 0.08 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.01 3.49 0.78 1.61 6.04 -1.25 -4.93 117.35 123.08 3g17 s TYR 99 Ca 0.00 -2.40 -0.15 0.00 0.04 0.00 0.00 57.07 54.56 3g17 s TYR 99 Cb 0.00 -3.34 0.04 0.00 -1.04 0.00 0.00 41.96 37.62 3g17 s TYR 99 CO 0.00 -0.92 0.96 0.41 -1.54 0.00 0.00 175.55 174.46 3g17 n GLY 100 N 4.06 -0.55 3.09 8.97 0.00 -1.26 -4.99 105.19 114.51 3g17 n GLY 100 Ca 0.03 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 3g17 n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g17 s GLN 101 N -3.62 2.47 0.00 1.61 -0.21 -1.26 -4.99 119.66 113.67 3g17 s GLN 101 Ca 0.71 -2.43 0.23 0.00 0.02 0.00 0.00 55.36 53.89 3g17 s GLN 101 Cb -0.31 -3.70 1.40 0.00 1.00 0.00 0.00 33.01 31.40 3g17 s GLN 101 CO 0.53 -1.16 1.81 1.28 -2.12 0.00 0.00 175.29 175.63 3g17 n LEU 102 N 3.63 0.00 -0.26 2.90 4.77 -1.26 -0.52 117.00 126.26 3g17 n LEU 102 Ca 0.06 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.16 3g17 n LEU 102 Cb 0.38 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.58 3g17 n LEU 102 CO 0.34 0.00 0.34 -1.84 -1.33 0.00 0.00 177.39 174.90 3g17 n GLU 103 N -0.94 0.69 0.16 3.23 0.00 -1.26 -3.84 120.64 118.67 3g17 n GLU 103 Ca 0.18 -0.51 0.13 0.00 0.00 0.00 0.00 57.16 56.96 3g17 n GLU 103 Cb 0.08 -1.49 0.50 0.00 0.00 0.00 0.00 31.44 30.54 3g17 n GLU 103 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3g17 h HIS 104 N 1.25 0.00 -3.63 -1.84 3.86 -1.24 -3.40 115.15 110.15 3g17 h HIS 104 Ca 0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 3g17 h HIS 104 Cb 0.60 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 28.84 3g17 h HIS 104 CO 0.00 0.00 -0.61 0.42 0.86 0.00 0.00 177.93 178.60 3g17 s ILE 105 N -3.35 4.29 -0.80 2.45 1.01 -1.25 -5.02 121.20 118.53 3g17 s ILE 105 Ca 0.05 -0.30 -0.08 0.00 0.00 0.00 0.00 60.65 60.32 3g17 s ILE 105 Cb 0.09 -3.07 -0.16 0.00 0.01 0.00 0.00 42.46 39.34 3g17 s ILE 105 CO 0.47 0.25 3.24 -0.81 0.00 0.00 0.00 174.94 178.08 3g17 n PRO 106 N 4.92 2.90 -4.11 2.79 -0.04 -1.26 -4.82 135.00 135.38 3g17 n PRO 106 Ca -0.16 -1.71 -0.08 0.00 -0.04 0.00 0.00 63.50 61.51 3g17 n PRO 106 Cb 0.50 -2.39 -0.10 0.00 -0.04 0.00 0.00 33.50 31.47 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 1.28 0.64 -0.02 0.54 0.08 -1.26 -5.08 117.98 114.15 3g17 s PHE 107 Ca 0.67 -1.00 -0.26 0.00 0.12 0.00 0.00 56.93 56.47 3g17 s PHE 107 Cb 0.25 -0.43 -0.20 0.00 -0.57 0.00 0.00 43.02 42.08 3g17 s PHE 107 CO -0.04 -0.30 1.25 0.87 -0.10 0.00 0.00 175.22 176.90 3g17 h LYS 108 N 3.14 -0.02 -4.59 0.44 1.57 -1.88 -3.41 116.57 111.83 3g17 h LYS 108 Ca -0.34 0.00 -0.73 0.00 -1.87 0.00 0.00 60.65 57.71 3g17 h LYS 108 Cb 1.15 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.26 3g17 h LYS 108 CO 0.65 0.47 0.61 -0.80 -0.57 0.00 0.00 179.45 179.81 3g17 s ASN 109 N -5.67 6.71 -0.08 0.86 0.01 -1.26 -4.99 114.94 110.52 3g17 s ASN 109 Ca -0.16 -2.34 0.01 0.00 -0.71 0.00 0.00 52.86 49.67 3g17 s ASN 109 Cb 0.02 -2.33 0.02 0.00 0.41 0.00 0.00 41.25 39.36 3g17 s ASN 109 CO 0.66 -0.87 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.58 3g17 s VAL 110 N 1.72 1.11 0.02 1.60 1.01 -1.26 -0.74 120.40 123.85 3g17 s VAL 110 Ca 0.28 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.90 3g17 s VAL 110 Cb -0.06 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 3g17 s VAL 110 CO -0.09 0.36 -0.20 0.00 0.00 0.00 0.00 175.10 175.17 3g17 s GLN 112 N -0.87 4.28 -0.17 0.00 2.00 -1.26 0.62 119.66 124.25 3g17 s GLN 112 Ca 0.07 0.75 -0.08 0.00 -2.00 0.00 0.00 55.36 54.09 3g17 s GLN 112 Cb -0.08 -3.55 -0.05 0.00 0.80 0.00 0.00 33.01 30.14 3g17 s GLN 112 CO 0.01 -0.19 0.11 0.00 -0.50 0.00 0.00 175.29 174.72 3g17 s ALA 113 N 1.71 3.65 -0.25 1.58 0.00 0.72 -4.44 121.76 124.73 3g17 s ALA 113 Ca 0.32 -0.70 -0.17 0.00 0.00 0.00 0.00 51.96 51.41 3g17 s ALA 113 Cb -0.16 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.89 3g17 s ALA 113 CO 0.12 0.29 0.49 0.08 0.00 0.00 0.00 175.76 176.73 3g17 s VAL 114 N -0.00 5.10 -0.24 0.00 1.01 0.45 -3.42 120.40 123.30 3g17 s VAL 114 Ca 0.09 0.83 -0.10 0.00 0.00 0.00 0.00 61.98 62.79 3g17 s VAL 114 Cb -0.12 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 3g17 s VAL 114 CO -0.00 0.12 0.15 -0.69 0.00 0.00 0.00 175.10 174.69 3g17 s VAL 115 N 2.10 5.30 -0.63 2.92 1.01 -1.26 -0.87 120.40 128.96 3g17 s VAL 115 Ca 0.20 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.39 3g17 s VAL 115 Cb -0.16 -3.47 0.16 0.00 0.00 0.00 0.00 36.38 32.91 3g17 s VAL 115 CO 0.09 0.35 0.42 -0.31 0.00 0.00 0.00 175.10 175.64 3g17 s TYR 116 N 1.08 3.21 -0.13 5.22 2.02 0.18 -5.02 117.35 123.91 3g17 s TYR 116 Ca 0.07 -3.18 -0.04 0.00 -0.37 0.00 0.00 57.07 53.56 3g17 s TYR 116 Cb -0.14 -2.55 0.06 0.00 -0.40 0.00 0.00 41.96 38.93 3g17 s TYR 116 CO 0.05 -0.62 0.17 0.42 -1.57 0.00 0.00 175.55 174.00 3g17 s ILE 117 N -0.99 -0.27 -0.17 2.71 1.01 -1.26 -1.48 121.20 120.75 3g17 s ILE 117 Ca 0.23 0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.97 3g17 s ILE 117 Cb -0.10 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.89 3g17 s ILE 117 CO -0.12 -0.00 0.07 -0.44 0.00 0.00 0.00 174.94 174.45 3g17 s SER 118 N 2.29 5.75 0.21 3.58 0.01 -0.09 -4.84 113.70 120.61 3g17 s SER 118 Ca 0.04 0.14 -0.22 0.00 1.31 0.00 0.00 55.95 57.22 3g17 s SER 118 Cb -0.14 -1.96 0.07 0.00 0.21 0.00 0.00 66.02 64.20 3g17 s SER 118 CO -0.08 0.20 0.97 -0.83 0.41 0.00 0.00 173.24 173.92 3g17 s GLY 119 N 0.19 0.05 0.10 3.44 0.00 -1.26 -0.52 107.32 109.31 3g17 s GLY 119 Ca 0.05 -0.27 0.02 0.00 0.00 0.00 0.00 44.72 44.53 3g17 s GLY 119 CO 0.00 1.25 -0.07 -0.86 0.00 0.00 0.00 173.10 173.42 3g17 s GLN 120 N -2.55 0.82 -0.10 2.90 -2.07 -0.08 -4.89 119.66 113.70 3g17 s GLN 120 Ca 0.18 -1.27 0.03 0.00 -1.82 0.00 0.00 55.36 52.48 3g17 s GLN 120 Cb -0.03 -0.27 0.01 0.00 -1.09 0.00 0.00 33.01 31.63 3g17 s GLN 120 CO 0.05 0.00 -0.18 0.21 -1.32 0.00 0.00 175.29 174.05 3g17 s LYS 121 N -3.49 2.47 -0.09 9.60 2.20 -1.26 -0.84 119.74 128.33 3g17 s LYS 121 Ca 0.09 -0.67 0.00 0.00 -0.36 0.00 0.00 55.97 55.03 3g17 s LYS 121 Cb 0.03 -1.96 0.02 0.00 -1.51 0.00 0.00 37.83 34.41 3g17 s LYS 121 CO -0.03 0.06 -0.07 0.15 -0.36 0.00 0.00 175.35 175.10 3g17 s LYS 122 N 0.63 1.31 6.40 4.03 1.02 0.54 -4.96 119.74 128.70 3g17 s LYS 122 Ca -0.14 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 55.66 3g17 s LYS 122 Cb -0.16 -1.36 0.00 0.00 -0.52 0.00 0.00 37.83 35.79 3g17 s LYS 122 CO 0.04 -0.20 0.00 0.41 -0.92 0.00 0.00 175.35 174.68 3g17 n GLY 123 N 4.68 3.63 1.72 -3.33 0.00 -1.26 -0.40 105.19 110.23 3g17 n GLY 123 Ca -0.15 0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 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 5.56 3.70 -4.14 1.61 8.00 -1.26 -4.92 116.55 125.10 3g17 n ASP 124 Ca 0.00 -3.74 -0.33 0.00 0.71 0.00 0.00 54.79 51.43 3g17 n ASP 124 Cb 0.00 -0.72 -0.15 0.00 -0.02 0.00 0.00 41.12 40.23 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 -3.58 2.45 -0.20 2.53 1.01 0.46 -0.78 120.40 122.31 3g17 s VAL 125 Ca 0.52 -1.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 3g17 s VAL 125 Cb 0.44 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 3g17 s VAL 125 CO 0.03 0.20 0.12 -0.69 0.00 0.00 0.00 175.10 174.76 3g17 s VAL 126 N 1.24 5.30 -0.23 2.92 1.01 0.12 -0.34 120.40 130.43 3g17 s VAL 126 Ca -0.02 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.11 3g17 s VAL 126 Cb -0.17 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 32.83 3g17 s VAL 126 CO -0.07 0.45 -0.12 -0.89 0.00 0.00 0.00 175.10 174.47 3g17 s THR 127 N 0.33 2.47 -0.18 3.92 2.01 -0.02 -1.17 115.64 123.00 3g17 s THR 127 Ca 0.07 -1.11 -0.28 0.00 0.31 0.00 0.00 61.69 60.69 3g17 s THR 127 Cb -0.11 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.17 3g17 s THR 127 CO -0.02 0.27 0.95 -2.28 -0.69 0.00 0.00 174.62 172.85 3g17 s HIS 128 N 1.27 3.41 -0.15 4.92 2.46 -0.33 -0.90 115.29 125.97 3g17 s HIS 128 Ca 0.00 1.41 -0.12 0.00 0.47 0.00 0.00 55.06 56.81 3g17 s HIS 128 Cb -0.16 -3.15 -0.09 0.00 -0.13 0.00 0.00 32.58 29.05 3g17 s HIS 128 CO -0.07 -0.32 0.08 0.74 -2.47 0.00 0.00 174.74 172.69 3g17 h PHE 129 N 7.33 0.00 -2.32 3.88 0.04 -1.07 -3.27 116.94 121.53 3g17 h PHE 129 Ca -0.26 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.50 3g17 h PHE 129 Cb 1.11 0.00 -0.17 0.00 2.20 0.00 0.00 35.95 39.09 3g17 h PHE 129 CO 0.73 0.48 0.27 -0.98 -0.60 0.00 0.00 178.31 178.21 3g17 s ARG 130 N -2.10 1.05 0.00 1.51 1.70 -1.10 -4.82 118.95 115.18 3g17 s ARG 130 Ca -0.15 -0.06 0.00 0.00 -0.47 0.00 0.00 55.73 55.04 3g17 s ARG 130 Cb 0.02 0.49 0.00 0.00 -0.57 0.00 0.00 34.95 34.89 3g17 s ARG 130 CO 0.31 -0.39 0.00 -0.25 -1.08 0.00 0.00 175.30 173.89 3g17 n ASP 131 N 0.32 -0.34 -1.16 -2.89 8.00 -1.26 -0.91 116.55 118.30 3g17 n ASP 131 Ca -0.16 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.37 3g17 n ASP 131 Cb 0.60 0.96 0.03 0.00 -0.02 0.00 0.00 41.12 42.70 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 -1.20 0.00 -3.58 1.24 4.01 -1.15 -4.34 117.16 112.15 3g17 n TYR 132 Ca 0.00 -0.45 -0.37 0.00 -0.16 0.00 0.00 57.90 56.92 3g17 n TYR 132 Cb 0.00 -0.13 -0.07 0.00 -0.31 0.00 0.00 39.34 38.83 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 -0.27 4.07 -0.14 -0.72 0.74 -0.55 -0.36 119.66 122.42 3g17 s GLN 133 Ca 0.26 0.13 0.01 0.00 0.05 0.00 0.00 55.36 55.81 3g17 s GLN 133 Cb 0.29 -3.35 -0.01 0.00 1.10 0.00 0.00 33.01 31.05 3g17 s GLN 133 CO -0.12 0.41 -0.16 -0.51 -0.55 0.00 0.00 175.29 174.36 3g17 s LEU 134 N -0.07 2.48 -0.18 3.68 1.43 0.15 -0.65 118.68 125.52 3g17 s LEU 134 Ca 0.18 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 3g17 s LEU 134 Cb -0.14 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 3g17 s LEU 134 CO 0.06 0.13 -0.03 -0.13 0.23 0.00 0.00 176.35 176.61 3g17 s ARG 135 N 0.57 3.62 0.01 1.70 0.52 -0.05 -0.57 118.95 124.73 3g17 s ARG 135 Ca -0.10 -0.53 -0.01 0.00 -0.52 0.00 0.00 55.73 54.57 3g17 s ARG 135 Cb -0.16 -2.97 -0.01 0.00 0.52 0.00 0.00 34.95 32.33 3g17 s ARG 135 CO 0.04 0.12 0.01 0.42 0.02 0.00 0.00 175.30 175.90 3g17 s ILE 136 N 0.69 0.06 0.22 1.52 1.01 -0.41 -0.41 121.20 123.88 3g17 s ILE 136 Ca -0.01 -0.51 -0.32 0.00 0.00 0.00 0.00 60.65 59.80 3g17 s ILE 136 Cb -0.14 -0.19 -0.13 0.00 0.01 0.00 0.00 42.46 42.01 3g17 s ILE 136 CO 0.02 -0.28 1.53 1.67 0.00 0.00 0.00 174.94 177.88 3g17 n GLN 137 N 2.20 2.26 -2.46 2.79 -0.06 -1.26 -0.68 117.38 120.17 3g17 n GLN 137 Ca -0.19 0.81 -0.43 0.00 -2.00 0.00 0.00 57.00 55.19 3g17 n GLN 137 Cb 0.57 -2.55 -0.02 0.00 -4.06 0.00 0.00 30.24 24.18 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 0.62 7.00 0.33 1.69 2.15 0.30 -4.69 116.67 124.07 3g17 s ASP 138 Ca 0.72 1.71 -0.17 0.00 0.43 0.00 0.00 52.55 55.24 3g17 s ASP 138 Cb -0.62 -2.55 0.03 0.00 -0.30 0.00 0.00 42.92 39.49 3g17 s ASP 138 CO 0.44 -0.68 0.72 0.54 -0.17 0.00 0.00 175.17 176.01 3g17 s ASN 139 N 1.73 -0.04 0.30 -0.34 2.20 -1.26 -4.96 114.94 112.56 3g17 s ASN 139 Ca 0.54 -0.95 0.04 0.00 -0.94 0.00 0.00 52.86 51.55 3g17 s ASN 139 Cb -0.22 0.78 0.65 0.00 -2.00 0.00 0.00 41.25 40.45 3g17 s ASN 139 CO 0.17 -1.50 1.82 0.00 -2.94 0.00 0.00 177.10 174.65 3g17 h ALA 140 N 2.02 1.61 -0.02 3.54 0.00 -2.00 -0.96 119.26 123.46 3g17 h ALA 140 Ca -0.26 0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.43 3g17 h ALA 140 Cb 1.25 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.90 3g17 h ALA 140 CO 0.33 0.10 -1.01 -0.07 0.00 0.00 0.00 179.25 178.60 3g17 h LEU 141 N 0.88 0.89 -0.67 0.00 3.38 -1.96 -2.68 115.31 115.14 3g17 h LEU 141 Ca 0.52 -0.70 -0.14 0.00 0.09 0.00 0.00 57.88 57.65 3g17 h LEU 141 Cb 0.66 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3g17 h LEU 141 CO -0.30 1.50 -0.58 0.71 0.09 0.00 0.00 178.44 179.86 3g17 h THR 142 N 0.40 1.37 -0.25 0.22 1.35 -1.77 -1.81 112.91 112.42 3g17 h THR 142 Ca -0.12 -1.91 0.03 0.00 -0.55 0.00 0.00 66.41 63.86 3g17 h THR 142 Cb 1.66 1.94 -0.03 0.00 -1.73 0.00 0.00 68.15 69.99 3g17 h THR 142 CO 0.20 0.57 0.07 0.03 -0.25 0.00 0.00 175.52 176.14 3g17 h ARG 143 N 0.20 0.17 -0.49 4.72 3.08 -1.19 0.31 114.38 121.18 3g17 h ARG 143 Ca -0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3g17 h ARG 143 Cb 1.07 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 3g17 h ARG 143 CO 0.09 0.11 0.18 1.96 -1.07 0.00 0.00 179.97 181.25 3g17 h GLN 144 N 0.18 0.70 -0.14 0.04 4.20 -1.30 0.14 115.11 118.94 3g17 h GLN 144 Ca 0.11 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 3g17 h GLN 144 Cb 0.09 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 3g17 h GLN 144 CO -0.13 0.59 -0.16 0.35 -0.67 0.00 0.00 178.83 178.81 3g17 h PHE 145 N 0.70 0.43 -0.51 2.96 3.57 -0.78 0.00 116.94 123.31 3g17 h PHE 145 Ca 0.17 -0.14 0.10 0.00 3.53 0.00 0.00 57.97 61.63 3g17 h PHE 145 Cb 0.16 -0.09 -0.09 0.00 2.79 0.00 0.00 35.95 38.72 3g17 h PHE 145 CO 0.01 0.77 -0.10 -0.09 -2.23 0.00 0.00 178.31 176.67 3g17 h ARG 146 N -0.03 0.02 -0.56 1.11 1.12 -0.08 -1.73 114.38 114.23 3g17 h ARG 146 Ca 0.02 -0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.85 3g17 h ARG 146 Cb 0.71 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.64 3g17 h ARG 146 CO 0.04 0.02 0.22 -0.44 -3.11 0.00 0.00 179.97 176.70 3g17 h ASP 147 N 0.02 0.78 -0.95 -3.80 3.45 -0.60 -2.13 116.42 113.19 3g17 h ASP 147 Ca 0.25 -0.17 0.09 0.00 0.43 0.00 0.00 57.03 57.63 3g17 h ASP 147 Cb 0.38 -0.20 -0.07 0.00 -0.56 0.00 0.00 39.33 38.88 3g17 h ASP 147 CO -0.51 0.74 0.59 0.25 -1.57 0.00 0.00 179.24 178.74 3g17 h LEU 148 N 0.77 0.90 -0.21 1.55 5.85 -0.48 -2.31 115.31 121.39 3g17 h LEU 148 Ca 0.19 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3g17 h LEU 148 Cb 0.20 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3g17 h LEU 148 CO -0.02 0.53 -0.32 0.55 -0.34 0.00 0.00 178.44 178.84 3g17 n VAL 149 N -4.61 0.00 -0.37 1.05 3.14 -0.70 -4.55 118.33 112.29 3g17 n VAL 149 Ca 0.16 -0.05 0.30 0.00 -2.96 0.00 0.00 64.34 61.79 3g17 n VAL 149 Cb 0.27 0.20 0.57 0.00 -1.06 0.00 0.00 33.84 33.81 3g17 n VAL 149 CO 0.00 0.00 0.00 0.06 -6.46 0.00 0.00 176.83 170.43 3g17 h GLN 150 N 0.51 0.17 -0.02 1.45 3.07 -0.79 0.46 115.11 119.97 3g17 h GLN 150 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 3g17 h GLN 150 Cb 0.48 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.00 3g17 h GLN 150 CO 0.00 0.11 0.00 -0.25 0.09 0.00 0.00 178.83 178.78 3g17 n ASP 151 N -4.92 0.10 -4.89 0.06 8.00 -1.26 -4.88 116.55 108.76 3g17 n ASP 151 Ca 0.35 -1.97 -0.22 0.00 0.71 0.00 0.00 54.79 53.65 3g17 n ASP 151 Cb 1.21 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 42.27 3g17 n ASP 151 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3g17 s SER 152 N -1.03 4.93 0.00 -2.24 1.04 0.15 -4.81 113.70 111.74 3g17 s SER 152 Ca 0.02 -0.88 0.31 0.00 0.48 0.00 0.00 55.95 55.88 3g17 s SER 152 Cb 0.01 -0.29 1.64 0.00 0.10 0.00 0.00 66.02 67.49 3g17 s SER 152 CO 0.02 -0.80 2.11 0.00 0.98 0.00 0.00 173.24 175.54 3g17 n GLN 153 N -1.63 0.61 -2.27 4.02 6.02 -1.26 -4.85 117.38 118.01 3g17 n GLN 153 Ca 0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.60 3g17 n GLN 153 Cb 0.62 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.35 3g17 n GLN 153 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3g17 s ILE 154 N -2.39 3.52 -0.76 5.09 -1.09 -1.26 -4.83 121.20 119.48 3g17 s ILE 154 Ca 0.35 1.14 -0.12 0.00 -2.23 0.00 0.00 60.65 59.78 3g17 s ILE 154 Cb 0.21 -3.73 0.20 0.00 -1.58 0.00 0.00 42.46 37.56 3g17 s ILE 154 CO 0.43 0.11 0.68 -0.62 -1.23 0.00 0.00 174.94 174.31 3g17 s ASP 155 N 0.86 6.46 -0.11 3.58 -1.08 0.51 -4.95 116.67 121.93 3g17 s ASP 155 Ca 0.60 -2.61 -0.26 0.00 -0.52 0.00 0.00 52.55 49.76 3g17 s ASP 155 Cb -0.34 -2.15 -0.02 0.00 -1.46 0.00 0.00 42.92 38.94 3g17 s ASP 155 CO 0.32 -0.57 0.85 -0.63 0.52 0.00 0.00 175.17 175.65 3g17 s ILE 156 N 0.30 4.91 -0.23 4.11 -1.09 -1.26 -0.68 121.20 127.26 3g17 s ILE 156 Ca 0.16 1.71 0.02 0.00 -2.23 0.00 0.00 60.65 60.30 3g17 s ILE 156 Cb -0.14 -4.17 0.04 0.00 -1.58 0.00 0.00 42.46 36.61 3g17 s ILE 156 CO -0.07 0.10 -0.13 -0.69 -1.23 0.00 0.00 174.94 172.92 3g17 s VAL 157 N 1.59 2.25 -0.07 2.92 1.01 0.26 -4.97 120.40 123.39 3g17 s VAL 157 Ca 0.42 -1.29 -0.22 0.00 0.00 0.00 0.00 61.98 60.89 3g17 s VAL 157 Cb -0.18 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3g17 s VAL 157 CO 0.17 0.21 0.63 -0.76 0.00 0.00 0.00 175.10 175.35 3g17 s LEU 158 N 1.20 4.32 0.04 3.92 1.43 -1.26 -1.29 118.68 127.05 3g17 s LEU 158 Ca -0.03 1.10 0.04 0.00 -1.03 0.00 0.00 54.13 54.21 3g17 s LEU 158 Cb -0.17 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 3g17 s LEU 158 CO -0.08 -0.05 -0.06 -0.70 0.23 0.00 0.00 176.35 175.69 3g17 s GLU 159 N 0.59 2.49 0.10 1.70 2.56 0.14 -4.78 118.70 121.51 3g17 s GLU 159 Ca 0.34 -0.79 -0.21 0.00 0.00 0.00 0.00 54.97 54.31 3g17 s GLU 159 Cb -0.17 -2.48 -0.10 0.00 2.00 0.00 0.00 34.13 33.38 3g17 s GLU 159 CO 0.16 0.57 1.71 0.00 -0.56 0.00 0.00 175.26 177.15 3g17 h ALA 160 N 4.13 0.19 -3.06 6.30 0.00 -1.93 0.86 119.26 125.76 3g17 h ALA 160 Ca -0.48 -0.04 -0.52 0.00 0.00 0.00 0.00 54.91 53.87 3g17 h ALA 160 Cb 1.17 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.50 3g17 h ALA 160 CO 0.55 -0.29 -0.76 1.21 0.00 0.00 0.00 179.25 179.95 3g17 s ASN 161 N -5.40 3.16 0.50 0.00 2.47 -1.26 -4.73 114.94 109.68 3g17 s ASN 161 Ca -0.13 -1.06 0.16 0.00 0.42 0.00 0.00 52.86 52.26 3g17 s ASN 161 Cb 0.07 -0.49 1.23 0.00 -1.45 0.00 0.00 41.25 40.61 3g17 s ASN 161 CO 0.69 -0.38 2.11 -0.29 -3.72 0.00 0.00 177.10 175.51 3g17 h ILE 162 N 6.46 1.00 -1.01 -5.21 6.09 -1.93 -3.01 117.51 119.91 3g17 h ILE 162 Ca -0.17 -0.18 0.25 0.00 -1.37 0.00 0.00 64.86 63.39 3g17 h ILE 162 Cb 1.08 1.10 -0.12 0.00 0.47 0.00 0.00 36.82 39.34 3g17 h ILE 162 CO 0.38 0.05 0.60 -0.61 -3.07 0.00 0.00 178.15 175.50 3g17 h GLN 163 N 0.00 0.56 -0.44 2.19 4.15 -1.98 -0.47 115.11 119.12 3g17 h GLN 163 Ca -0.00 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 3g17 h GLN 163 Cb 0.10 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 3g17 h GLN 163 CO 0.01 0.37 0.18 0.37 -1.93 0.00 0.00 178.83 177.82 3g17 h GLN 164 N 0.58 0.66 -0.70 1.69 4.15 -1.97 -1.23 115.11 118.30 3g17 h GLN 164 Ca 0.64 -0.12 -0.05 0.00 0.77 0.00 0.00 58.65 59.89 3g17 h GLN 164 Cb 1.23 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.79 3g17 h GLN 164 CO -0.46 0.61 0.23 0.00 -1.93 0.00 0.00 178.83 177.27 3g17 h ALA 165 N 1.02 1.08 0.05 3.38 0.00 -1.32 -0.76 119.26 122.71 3g17 h ALA 165 Ca 0.15 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3g17 h ALA 165 Cb 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3g17 h ALA 165 CO -0.01 0.63 -0.02 0.82 0.00 0.00 0.00 179.25 180.66 3g17 h ILE 166 N 1.03 1.06 -0.38 0.00 2.04 -0.99 -0.90 117.51 119.36 3g17 h ILE 166 Ca 0.23 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 3g17 h ILE 166 Cb 0.28 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3g17 h ILE 166 CO -0.01 0.09 0.07 -0.50 0.00 0.00 0.00 178.15 177.80 3g17 h TRP 167 N -0.22 0.58 -0.14 1.37 4.06 -1.12 -0.49 115.95 119.99 3g17 h TRP 167 Ca -0.01 -0.04 -0.01 0.00 2.06 0.00 0.00 58.89 60.89 3g17 h TRP 167 Cb 0.20 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.18 3g17 h TRP 167 CO -0.02 0.52 0.04 -0.92 -3.56 0.00 0.00 178.44 174.50 3g17 h TYR 168 N 0.56 0.23 -0.63 0.49 3.20 -0.85 -2.32 116.97 117.65 3g17 h TYR 168 Ca 0.13 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.03 3g17 h TYR 168 Cb 0.25 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 3g17 h TYR 168 CO 0.01 0.35 0.34 -0.22 -1.64 0.00 0.00 178.16 177.00 3g17 h LYS 169 N 0.05 0.62 -0.79 1.82 1.63 -0.80 -0.22 116.57 118.88 3g17 h LYS 169 Ca 0.05 -0.04 0.16 0.00 -0.85 0.00 0.00 60.65 59.97 3g17 h LYS 169 Cb 0.23 -0.14 -0.10 0.00 -0.60 0.00 0.00 32.23 31.62 3g17 h LYS 169 CO -0.00 0.41 0.32 -0.07 -3.45 0.00 0.00 179.45 176.65 3g17 h LEU 170 N 0.63 0.29 -0.38 5.20 3.38 -0.82 1.00 115.31 124.62 3g17 h LEU 170 Ca 0.28 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.34 3g17 h LEU 170 Cb 0.18 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3g17 h LEU 170 CO -0.18 0.09 0.11 -0.07 0.09 0.00 0.00 178.44 178.48 3g17 h LEU 171 N 0.44 0.55 -0.29 1.67 4.07 -0.77 0.25 115.31 121.24 3g17 h LEU 171 Ca 0.44 -0.21 0.04 0.00 0.08 0.00 0.00 57.88 58.23 3g17 h LEU 171 Cb 0.71 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 42.26 3g17 h LEU 171 CO -0.43 0.62 0.04 0.58 -1.08 0.00 0.00 178.44 178.17 3g17 h VAL 172 N 0.46 0.85 -0.57 1.22 2.07 0.60 -1.75 116.25 119.13 3g17 h VAL 172 Ca 0.12 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 3g17 h VAL 172 Cb 0.27 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3g17 h VAL 172 CO -0.00 0.03 0.12 0.78 0.02 0.00 0.00 177.57 178.52 3g17 h ASN 173 N 0.14 0.88 -0.55 0.57 2.35 -0.83 -3.22 115.58 114.93 3g17 h ASN 173 Ca 0.13 -0.24 0.11 0.00 -0.55 0.00 0.00 56.30 55.75 3g17 h ASN 173 Cb 0.15 -0.23 -0.09 0.00 0.05 0.00 0.00 38.32 38.20 3g17 h ASN 173 CO -0.19 0.90 0.01 0.25 -1.65 0.00 0.00 177.43 176.75 3g17 h LEU 174 N 0.83 -0.22 0.00 1.61 5.85 0.39 -2.00 115.31 121.77 3g17 h LEU 174 Ca 0.18 0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.03 3g17 h LEU 174 Cb 0.37 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3g17 h LEU 174 CO 0.01 -0.08 0.00 0.61 -0.34 0.00 0.00 178.44 178.63 3g17 n GLY 175 N -1.33 -1.18 0.30 3.75 0.00 -0.95 -3.31 105.19 102.47 3g17 n GLY 175 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 1.26 -0.71 -0.61 6.09 -1.64 -2.23 117.51 119.67 3g17 h ILE 176 Ca 0.00 -1.01 0.04 0.00 -1.37 0.00 0.00 64.86 62.51 3g17 h ILE 176 Cb 0.00 0.71 -0.05 0.00 0.47 0.00 0.00 36.82 37.96 3g17 h ILE 176 CO 0.00 0.38 0.44 0.78 -3.07 0.00 0.00 178.15 176.68 3g17 h ASN 177 N 0.94 0.71 -0.29 2.19 4.21 -1.56 -0.80 115.58 120.97 3g17 h ASN 177 Ca 0.19 0.01 -0.05 0.00 1.21 0.00 0.00 56.30 57.65 3g17 h ASN 177 Cb 0.43 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.48 3g17 h ASN 177 CO 0.01 0.48 -0.01 0.28 -1.29 0.00 0.00 177.43 176.91 3g17 h SER 178 N 0.85 0.51 -0.11 5.81 0.02 -1.51 -0.18 113.55 118.93 3g17 h SER 178 Ca 0.29 -0.32 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 3g17 h SER 178 Cb 0.06 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 3g17 h SER 178 CO -0.12 0.70 -0.12 0.40 -1.14 0.00 0.00 176.83 176.54 3g17 h ILE 179 N 0.30 1.36 -0.17 3.27 1.08 -1.27 -0.05 117.51 122.03 3g17 h ILE 179 Ca 0.08 -1.31 -0.04 0.00 -0.39 0.00 0.00 64.86 63.20 3g17 h ILE 179 Cb 0.45 1.98 -0.00 0.00 -3.07 0.00 0.00 36.82 36.17 3g17 h ILE 179 CO 0.02 0.37 -0.06 0.71 -0.69 0.00 0.00 178.15 178.50 3g17 h THR 180 N -0.13 1.30 0.32 -0.27 1.35 -1.18 0.45 112.91 114.75 3g17 h THR 180 Ca 0.02 -1.06 -0.01 0.00 -0.55 0.00 0.00 66.41 64.81 3g17 h THR 180 Cb 0.66 1.64 -0.01 0.00 -1.73 0.00 0.00 68.15 68.71 3g17 h THR 180 CO 0.03 0.32 -0.23 0.00 -0.25 0.00 0.00 175.52 175.38 3g17 h ALA 181 N 0.70 -0.54 -0.28 6.62 0.00 -1.02 -0.50 119.26 124.23 3g17 h ALA 181 Ca 0.04 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3g17 h ALA 181 Cb 0.51 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3g17 h ALA 181 CO 0.02 -0.83 -0.17 -0.07 0.00 0.00 0.00 179.25 178.20 3g17 h LEU 182 N -0.56 0.49 0.00 0.00 3.38 -1.03 -2.23 115.31 115.37 3g17 h LEU 182 Ca -0.03 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3g17 h LEU 182 Cb 0.48 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3g17 h LEU 182 CO 0.00 0.68 0.00 0.61 0.09 0.00 0.00 178.44 179.83 3g17 n GLY 183 N -0.53 -1.27 4.11 0.83 0.00 0.15 -4.92 105.19 103.57 3g17 n GLY 183 Ca 0.00 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 3g17 n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g17 n ARG 184 N -1.34 -3.24 -4.14 1.61 3.00 -0.26 -4.97 116.66 107.32 3g17 n ARG 184 Ca 0.12 0.38 -0.09 0.00 -0.01 0.00 0.00 57.85 58.25 3g17 n ARG 184 Cb 0.25 -4.84 -0.10 0.00 0.00 0.00 0.00 32.46 27.76 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 -6.80 0.76 1.15 5.56 -0.21 -0.83 -5.05 119.66 114.23 3g17 s GLN 185 Ca 0.43 -1.29 -0.18 0.00 0.02 0.00 0.00 55.36 54.34 3g17 s GLN 185 Cb -0.24 -0.07 0.26 0.00 1.00 0.00 0.00 33.01 33.97 3g17 s GLN 185 CO 0.91 -0.05 1.14 0.95 -2.12 0.00 0.00 175.29 176.12 3g17 s THR 186 N -3.70 1.70 0.63 -0.19 -4.23 -1.26 -4.49 115.64 104.11 3g17 s THR 186 Ca 0.10 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 60.82 3g17 s THR 186 Cb 0.06 -2.56 0.27 0.00 1.34 0.00 0.00 72.50 71.61 3g17 s THR 186 CO -0.06 0.00 1.52 0.58 -0.54 0.00 0.00 174.62 176.11 3g17 h VAL 187 N -2.37 0.09 -0.12 2.29 2.07 -0.94 -1.10 116.25 116.17 3g17 h VAL 187 Ca -0.46 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.10 3g17 h VAL 187 Cb 1.29 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3g17 h VAL 187 CO 0.38 0.00 0.26 0.00 0.02 0.00 0.00 177.57 178.23 3g17 h ALA 188 N 0.81 1.54 -0.11 1.67 0.00 -1.56 -1.65 119.26 119.96 3g17 h ALA 188 Ca 0.19 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3g17 h ALA 188 Cb 1.75 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 3g17 h ALA 188 CO -0.00 -0.32 0.14 0.97 0.00 0.00 0.00 179.25 180.04 3g17 h ILE 189 N 0.00 0.39 0.00 0.00 2.10 -1.51 -2.26 117.51 116.23 3g17 h ILE 189 Ca 0.06 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.00 3g17 h ILE 189 Cb 0.58 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 37.19 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 -3.66 0.16 0.25 2.19 2.81 -0.62 -1.74 117.12 116.51 3g17 n MET 190 Ca -0.00 0.18 0.13 0.00 -1.81 0.00 0.00 57.70 56.20 3g17 n MET 190 Cb 0.25 -1.50 0.61 0.00 -0.71 0.00 0.00 33.22 31.87 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 -2.88 2.03 3.86 -1.65 -3.41 115.15 113.11 3g17 h HIS 191 Ca 0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 3g17 h HIS 191 Cb 0.13 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 3g17 h HIS 191 CO 0.00 0.12 0.88 -0.80 0.86 0.00 0.00 177.93 179.00 3g17 s ASN 192 N -5.98 6.87 0.29 2.45 0.01 -0.71 -4.91 114.94 112.95 3g17 s ASN 192 Ca -0.00 1.99 0.00 0.00 -0.71 0.00 0.00 52.86 54.14 3g17 s ASN 192 Cb 0.10 -2.55 0.50 0.00 0.41 0.00 0.00 41.25 39.72 3g17 s ASN 192 CO 0.59 -0.75 1.88 -0.65 -1.51 0.00 0.00 177.10 176.66 3g17 h PRO 193 N 8.20 1.04 -0.33 -0.60 0.11 -1.89 -1.85 132.00 136.68 3g17 h PRO 193 Ca -0.35 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 3g17 h PRO 193 Cb 1.16 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 3g17 h PRO 193 CO 0.93 0.69 -0.01 0.93 -0.21 0.00 0.00 178.00 180.32 3g17 h GLU 194 N 1.07 0.51 0.02 1.05 3.07 -1.96 -1.11 114.58 117.23 3g17 h GLU 194 Ca 0.43 -0.11 -0.27 0.00 -0.50 0.00 0.00 59.36 58.91 3g17 h GLU 194 Cb 0.27 -0.07 0.02 0.00 -0.84 0.00 0.00 28.75 28.13 3g17 h GLU 194 CO -0.18 0.55 -1.08 0.82 -1.40 0.00 0.00 179.01 177.72 3g17 h ILE 195 N 0.49 1.28 -0.45 3.13 1.08 -1.75 -1.19 117.51 120.10 3g17 h ILE 195 Ca 0.10 -2.27 0.07 0.00 -0.39 0.00 0.00 64.86 62.37 3g17 h ILE 195 Cb 0.34 2.42 -0.06 0.00 -3.07 0.00 0.00 36.82 36.46 3g17 h ILE 195 CO 0.01 0.70 0.11 -0.09 -0.69 0.00 0.00 178.15 178.20 3g17 h ARG 196 N 0.38 0.25 0.42 2.37 2.43 -1.17 0.34 114.38 119.40 3g17 h ARG 196 Ca -0.14 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3g17 h ARG 196 Cb 1.73 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.23 3g17 h ARG 196 CO 0.21 0.17 -0.20 0.82 -1.51 0.00 0.00 179.97 179.45 3g17 h ILE 197 N 0.26 0.58 -0.70 1.20 2.04 -1.14 -2.90 117.51 116.85 3g17 h ILE 197 Ca 0.22 -0.20 0.15 0.00 1.00 0.00 0.00 64.86 66.03 3g17 h ILE 197 Cb 0.25 0.68 -0.11 0.00 -0.74 0.00 0.00 36.82 36.91 3g17 h ILE 197 CO -0.26 0.04 0.13 0.25 0.00 0.00 0.00 178.15 178.31 3g17 h LEU 198 N -0.68 -0.06 -0.75 1.44 5.85 -1.12 -1.28 115.31 118.71 3g17 h LEU 198 Ca -0.06 0.15 0.10 0.00 0.84 0.00 0.00 57.88 58.90 3g17 h LEU 198 Cb 0.50 0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.67 3g17 h LEU 198 CO 0.10 -0.06 0.39 0.00 -0.34 0.00 0.00 178.44 178.53 3g17 h ARG 200 N 0.66 0.16 -0.98 0.00 2.43 -1.19 -0.00 114.38 115.45 3g17 h ARG 200 Ca 0.37 -0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.58 3g17 h ARG 200 Cb 0.38 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.84 3g17 h ARG 200 CO -0.27 0.43 0.62 1.96 -1.51 0.00 0.00 179.97 181.21 3g17 h GLN 201 N -0.12 0.99 -0.26 0.20 1.08 -0.57 0.21 115.11 116.63 3g17 h GLN 201 Ca 0.03 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.10 3g17 h GLN 201 Cb 0.36 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 3g17 h GLN 201 CO 0.01 0.66 -0.08 1.25 -0.95 0.00 0.00 178.83 179.71 3g17 h LEU 202 N 1.02 0.53 -1.98 1.46 5.85 -0.21 -1.61 115.31 120.38 3g17 h LEU 202 Ca 0.46 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3g17 h LEU 202 Cb 0.37 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 3g17 h LEU 202 CO -0.21 0.78 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.56 3g17 h LEU 203 N 0.26 0.00 -0.25 2.25 3.38 -0.40 -2.40 115.31 118.16 3g17 h LEU 203 Ca 0.06 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 3g17 h LEU 203 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3g17 h LEU 203 CO 0.03 0.04 -0.49 -0.07 0.09 0.00 0.00 178.44 178.03 3g17 h LEU 204 N 0.00 0.86 -0.38 1.67 3.38 -0.50 -0.84 115.31 119.50 3g17 h LEU 204 Ca -0.00 -0.54 0.06 0.00 0.09 0.00 0.00 57.88 57.49 3g17 h LEU 204 Cb 0.07 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.51 3g17 h LEU 204 CO 0.00 1.24 0.04 0.44 0.09 0.00 0.00 178.44 180.26 3g17 h ASP 205 N 0.51 -0.07 -0.78 -0.43 5.19 -1.02 -1.10 116.42 118.72 3g17 h ASP 205 Ca 0.01 0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.46 3g17 h ASP 205 Cb 1.10 0.12 -0.04 0.00 0.18 0.00 0.00 39.33 40.69 3g17 h ASP 205 CO 0.11 -0.00 0.37 1.23 -3.12 0.00 0.00 179.24 177.83 3g17 h GLY 206 N 0.15 1.22 1.00 2.75 0.00 -1.31 -1.87 103.07 105.02 3g17 h GLY 206 Ca 0.18 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3g17 h GLY 206 CO -0.27 0.58 0.40 0.00 0.00 0.00 0.00 176.54 177.25 3g17 h ARG 208 N 0.83 1.02 -0.63 0.00 2.43 -0.79 0.12 114.38 117.37 3g17 h ARG 208 Ca 0.22 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 3g17 h ARG 208 Cb -0.08 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.25 3g17 h ARG 208 CO -0.05 0.79 0.17 0.28 -1.51 0.00 0.00 179.97 179.66 3g17 h VAL 209 N 1.01 1.25 -0.22 0.20 2.07 -1.07 -2.57 116.25 116.93 3g17 h VAL 209 Ca 0.25 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.81 3g17 h VAL 209 Cb 0.12 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3g17 h VAL 209 CO -0.03 0.34 -0.18 0.00 0.02 0.00 0.00 177.57 177.72 3g17 h ALA 210 N 1.06 1.30 0.05 1.67 0.00 -0.13 -2.13 119.26 121.07 3g17 h ALA 210 Ca 0.20 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3g17 h ALA 210 Cb 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3g17 h ALA 210 CO -0.00 0.47 -0.02 1.96 0.00 0.00 0.00 179.25 181.65 3g17 h GLN 211 N 0.34 -0.06 -0.56 0.00 4.20 -0.72 -1.16 115.11 117.14 3g17 h GLN 211 Ca 0.06 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.94 3g17 h GLN 211 Cb 0.51 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 3g17 h GLN 211 CO 0.03 0.24 0.44 0.00 -0.67 0.00 0.00 178.83 178.87 3g17 h ALA 212 N 0.57 2.46 -0.06 3.87 0.00 -1.39 0.35 119.26 125.05 3g17 h ALA 212 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3g17 h ALA 212 Cb 0.33 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3g17 h ALA 212 CO 0.01 -0.73 0.00 0.39 0.00 0.00 0.00 179.25 178.92 3g17 n GLU 213 N -4.19 1.26 -0.59 0.00 -0.58 -0.81 -4.90 120.64 110.84 3g17 n GLU 213 Ca 0.11 -0.39 0.00 0.00 -0.42 0.00 0.00 57.16 56.45 3g17 n GLU 213 Cb 0.67 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.23 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 0.90 0.77 3.70 0.62 0.00 0.12 -5.07 105.19 106.22 3g17 n GLY 214 Ca 0.14 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 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 3.56 -0.17 0.99 1.43 -0.46 -5.01 118.68 119.01 3g17 s LEU 215 Ca 0.00 -0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.07 3g17 s LEU 215 Cb 0.00 -2.09 0.02 0.00 0.03 0.00 0.00 46.19 44.15 3g17 s LEU 215 CO 0.00 0.26 2.46 0.59 0.23 0.00 0.00 176.35 179.89 3g17 n ASN 216 N 1.22 5.87 -4.85 2.29 4.13 -1.26 -3.79 115.26 118.87 3g17 n ASN 216 Ca -0.14 -2.76 -0.32 0.00 1.68 0.00 0.00 54.58 53.04 3g17 n ASN 216 Cb 0.52 -1.18 -0.05 0.00 -1.54 0.00 0.00 39.78 37.54 3g17 n ASN 216 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3g17 s PHE 217 N -0.65 3.41 0.33 3.10 0.08 -1.26 -5.02 117.98 117.97 3g17 s PHE 217 Ca 0.33 1.37 -0.02 0.00 0.12 0.00 0.00 56.93 58.73 3g17 s PHE 217 Cb 0.20 -2.70 -0.00 0.00 -0.57 0.00 0.00 43.02 39.95 3g17 s PHE 217 CO -0.04 -0.19 0.44 -1.54 -0.10 0.00 0.00 175.22 173.79 3g17 s SER 218 N -2.79 0.89 0.50 1.36 1.04 -1.26 -4.85 113.70 108.59 3g17 s SER 218 Ca 0.57 -1.47 0.32 0.00 0.48 0.00 0.00 55.95 55.85 3g17 s SER 218 Cb -0.10 0.64 1.44 0.00 0.10 0.00 0.00 66.02 68.10 3g17 s SER 218 CO 0.25 -1.25 1.78 -0.08 0.98 0.00 0.00 173.24 174.93 3g17 h GLU 219 N 2.14 0.10 0.00 4.02 4.81 -1.99 0.12 114.58 123.79 3g17 h GLU 219 Ca -0.28 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 58.85 3g17 h GLU 219 Cb 1.24 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 3g17 h GLU 219 CO 0.39 0.07 -0.44 1.96 -0.73 0.00 0.00 179.01 180.26 3g17 h GLN 220 N 0.10 0.00 -0.71 1.92 7.50 -1.99 -2.63 115.11 119.31 3g17 h GLN 220 Ca 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.74 3g17 h GLN 220 Cb 2.14 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 29.64 3g17 h GLN 220 CO -0.10 0.44 0.42 1.15 -1.50 0.00 0.00 178.83 179.23 3g17 h THR 221 N 0.00 1.20 -0.71 -0.54 2.02 -1.35 -2.81 112.91 110.73 3g17 h THR 221 Ca -0.00 -0.46 0.03 0.00 0.77 0.00 0.00 66.41 66.75 3g17 h THR 221 Cb 1.13 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 3g17 h THR 221 CO 0.06 0.21 0.45 0.58 0.37 0.00 0.00 175.52 177.19 3g17 h VAL 222 N 0.96 1.10 -0.94 3.16 2.07 -1.37 -1.40 116.25 119.84 3g17 h VAL 222 Ca 0.25 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.53 3g17 h VAL 222 Cb -0.02 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 29.83 3g17 h VAL 222 CO -0.05 0.16 0.60 0.44 0.02 0.00 0.00 177.57 178.74 3g17 h ASP 223 N 0.88 0.96 0.75 0.57 3.32 -1.25 0.12 116.42 121.77 3g17 h ASP 223 Ca 0.28 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.18 3g17 h ASP 223 Cb 0.01 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 3g17 h ASP 223 CO -0.10 0.62 -0.75 0.71 -1.72 0.00 0.00 179.24 178.00 3g17 h THR 224 N 1.10 1.54 -0.25 0.35 1.35 -1.25 -1.53 112.91 114.22 3g17 h THR 224 Ca 0.40 -2.56 -0.16 0.00 -0.55 0.00 0.00 66.41 63.54 3g17 h THR 224 Cb 0.14 2.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 3g17 h THR 224 CO -0.17 0.73 -0.47 0.40 -0.25 0.00 0.00 175.52 175.76 3g17 h ILE 225 N 0.00 1.30 0.00 6.82 2.04 -0.68 -2.40 117.51 124.58 3g17 h ILE 225 Ca -0.01 -1.68 -0.02 0.00 1.00 0.00 0.00 64.86 64.16 3g17 h ILE 225 Cb 1.32 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 39.14 3g17 h ILE 225 CO 0.10 0.54 -0.10 0.24 0.00 0.00 0.00 178.15 178.93 3g17 h MET 226 N 0.50 0.00 -0.29 2.37 2.86 -0.65 -2.34 114.93 117.37 3g17 h MET 226 Ca 0.01 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 3g17 h MET 226 Cb 1.08 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 3g17 h MET 226 CO 0.11 0.10 -0.00 1.15 1.06 0.00 0.00 176.91 179.32 3g17 h THR 227 N 0.00 1.26 -0.51 2.22 2.02 -1.12 -2.59 112.91 114.19 3g17 h THR 227 Ca -0.00 -0.94 0.10 0.00 0.77 0.00 0.00 66.41 66.34 3g17 h THR 227 Cb 0.50 1.30 -0.08 0.00 -1.74 0.00 0.00 68.15 68.13 3g17 h THR 227 CO 0.01 0.30 0.02 0.40 0.37 0.00 0.00 175.52 176.63 3g17 h ILE 228 N 0.30 0.62 -0.91 3.11 2.04 -0.91 -2.52 117.51 119.24 3g17 h ILE 228 Ca 0.08 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3g17 h ILE 228 Cb 0.44 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 3g17 h ILE 228 CO 0.02 0.03 0.51 1.88 0.00 0.00 0.00 178.15 180.58 3g17 h TYR 229 N 0.14 1.23 0.00 1.37 0.99 -1.37 -0.32 116.97 119.01 3g17 h TYR 229 Ca 0.26 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.97 3g17 h TYR 229 Cb 0.39 -0.40 -0.00 0.00 1.00 0.00 0.00 36.73 37.73 3g17 h TYR 229 CO -0.30 0.84 -0.00 0.37 -0.00 0.00 0.00 178.16 179.07 3g17 h GLN 230 N 1.26 0.00 -0.00 4.88 5.75 -1.05 -0.75 115.11 125.20 3g17 h GLN 230 Ca 0.32 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.82 3g17 h GLN 230 Cb 0.01 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.56 3g17 h GLN 230 CO -0.05 0.00 -0.00 0.41 -2.65 0.00 0.00 178.83 176.54 3g17 n GLY 231 N -1.22 -1.03 3.64 2.39 0.00 -0.13 -4.76 105.19 104.07 3g17 n GLY 231 Ca -0.03 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.16 3.32 0.49 1.61 2.02 -0.29 -5.05 117.35 117.29 3g17 s TYR 232 Ca 0.42 0.79 -0.23 0.00 -0.37 0.00 0.00 57.07 57.68 3g17 s TYR 232 Cb 0.21 -2.77 -0.07 0.00 -0.40 0.00 0.00 41.96 38.93 3g17 s TYR 232 CO 0.40 -0.24 1.21 -2.30 -1.57 0.00 0.00 175.55 173.05 3g17 n PRO 233 N 5.34 1.59 -0.32 -1.71 -0.02 -1.26 -4.86 135.00 133.75 3g17 n PRO 233 Ca -0.02 0.58 0.30 0.00 -2.02 0.00 0.00 63.50 62.34 3g17 n PRO 233 Cb 0.50 -2.36 0.66 0.00 -0.02 0.00 0.00 33.50 32.28 3g17 n PRO 233 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3g17 h ASP 234 N 1.52 0.17 0.43 2.55 3.45 -1.96 -1.46 116.42 121.13 3g17 h ASP 234 Ca -0.48 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.01 3g17 h ASP 234 Cb 1.32 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 40.09 3g17 h ASP 234 CO 0.57 0.02 -0.22 -0.62 -1.57 0.00 0.00 179.24 177.43 3g17 n GLU 235 N -4.37 0.50 -2.41 3.56 -0.58 -1.26 -1.57 120.64 114.52 3g17 n GLU 235 Ca 0.26 -0.22 -0.41 0.00 -0.42 0.00 0.00 57.16 56.36 3g17 n GLU 235 Cb 1.10 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 30.44 3g17 n GLU 235 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 3g17 s MET 236 N -2.65 4.50 0.62 3.49 1.75 -0.55 -4.82 119.30 121.64 3g17 s MET 236 Ca 0.22 1.83 0.07 0.00 -1.25 0.00 0.00 55.69 56.56 3g17 s MET 236 Cb 0.19 -3.26 0.10 0.00 2.84 0.00 0.00 34.83 34.70 3g17 s MET 236 CO 0.54 -0.08 0.86 0.20 -0.65 0.00 0.00 175.02 175.89 3g17 s GLY 237 N 0.23 1.73 0.35 2.11 0.00 -1.26 -0.71 107.32 109.76 3g17 s GLY 237 Ca 0.53 -2.07 0.09 0.00 0.00 0.00 0.00 44.72 43.27 3g17 s GLY 237 CO 0.35 -1.56 -0.06 -0.51 0.00 0.00 0.00 173.10 171.32 3g17 s THR 238 N -2.81 2.34 0.23 0.90 -4.23 -1.26 -4.92 115.64 105.88 3g17 s THR 238 Ca 0.64 -2.13 -0.07 0.00 -1.18 0.00 0.00 61.69 58.95 3g17 s THR 238 Cb -0.05 -2.71 0.18 0.00 1.34 0.00 0.00 72.50 71.26 3g17 s THR 238 CO 0.41 -0.19 1.81 0.77 -0.54 0.00 0.00 174.62 176.88 3g17 h SER 239 N 1.94 0.63 0.14 3.99 4.64 -1.97 -0.79 113.55 122.14 3g17 h SER 239 Ca -0.42 0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 60.77 3g17 h SER 239 Cb 1.25 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 3g17 h SER 239 CO 0.70 0.39 -0.59 -0.03 -0.87 0.00 0.00 176.83 176.43 3g17 h MET 240 N 0.76 0.45 0.54 4.77 1.85 -1.96 0.05 114.93 121.40 3g17 h MET 240 Ca 0.34 -0.31 -0.02 0.00 -0.61 0.00 0.00 59.70 59.10 3g17 h MET 240 Cb 0.24 0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.32 3g17 h MET 240 CO -0.20 0.92 -0.29 -0.92 -0.40 0.00 0.00 176.91 176.01 3g17 h TYR 241 N 0.34 -0.75 -0.53 1.39 3.20 -1.68 -0.02 116.97 118.92 3g17 h TYR 241 Ca -0.00 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.96 3g17 h TYR 241 Cb 1.13 0.26 -0.10 0.00 1.54 0.00 0.00 36.73 39.56 3g17 h TYR 241 CO 0.04 -0.46 -0.13 1.88 -1.64 0.00 0.00 178.16 177.85 3g17 h TYR 242 N -0.77 -0.29 -0.14 -3.82 0.05 -1.00 0.95 116.97 111.95 3g17 h TYR 242 Ca -0.07 0.05 0.03 0.00 0.05 0.00 0.00 58.73 58.79 3g17 h TYR 242 Cb 0.61 0.21 -0.03 0.00 1.01 0.00 0.00 36.73 38.52 3g17 h TYR 242 CO -0.06 -0.23 -0.06 -0.44 -1.05 0.00 0.00 178.16 176.32 3g17 h ASP 243 N -0.00 -0.22 -0.46 3.88 3.32 -0.86 -1.70 116.42 120.38 3g17 h ASP 243 Ca 0.25 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.27 3g17 h ASP 243 Cb 0.39 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 3g17 h ASP 243 CO -0.55 -0.09 -0.04 -0.29 -1.72 0.00 0.00 179.24 176.55 3g17 h ILE 244 N -0.05 1.27 -0.27 0.35 2.10 -0.29 0.49 117.51 121.10 3g17 h ILE 244 Ca 0.08 -1.13 -0.07 0.00 1.08 0.00 0.00 64.86 64.82 3g17 h ILE 244 Cb 0.16 1.07 -0.02 0.00 -1.09 0.00 0.00 36.82 36.95 3g17 h ILE 244 CO -0.18 0.39 -0.15 0.58 -1.08 0.00 0.00 178.15 177.72 3g17 h VAL 245 N 0.69 1.23 -0.12 2.19 2.07 -0.77 -2.50 116.25 119.04 3g17 h VAL 245 Ca 0.13 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.60 3g17 h VAL 245 Cb 0.56 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3g17 h VAL 245 CO 0.03 0.34 0.00 1.41 0.02 0.00 0.00 177.57 179.37 3g17 n HIS 246 N -4.19 0.16 -3.09 1.57 8.25 -0.65 -4.91 115.22 112.36 3g17 n HIS 246 Ca 0.00 -0.08 -0.22 0.00 -0.26 0.00 0.00 57.72 57.16 3g17 n HIS 246 Cb 0.33 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.46 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 -0.16 -4.04 -2.61 -0.41 6.02 -0.94 -5.00 117.38 110.24 3g17 n GLN 247 Ca 0.09 0.73 -0.24 0.00 -0.01 0.00 0.00 57.00 57.56 3g17 n GLN 247 Cb 0.14 -5.51 0.03 0.00 1.02 0.00 0.00 30.24 25.93 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 -5.75 2.74 0.69 -1.09 -1.52 0.13 -5.03 119.66 109.83 3g17 s GLN 248 Ca 0.31 -0.40 -0.16 0.00 -1.95 0.00 0.00 55.36 53.16 3g17 s GLN 248 Cb -0.15 -2.40 0.02 0.00 -0.22 0.00 0.00 33.01 30.26 3g17 s GLN 248 CO 0.38 -0.66 1.24 -2.14 -0.25 0.00 0.00 175.29 173.86 3g17 s PRO 249 N -4.84 2.35 0.26 2.91 0.02 -1.26 -4.59 135.00 129.85 3g17 s PRO 249 Ca 0.54 1.87 0.07 0.00 0.02 0.00 0.00 61.00 63.51 3g17 s PRO 249 Cb -0.10 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 3g17 s PRO 249 CO 0.41 -1.70 0.18 -0.51 -0.33 0.00 0.00 177.00 175.05 3g17 s LEU 250 N -4.78 3.72 -0.01 -5.54 1.43 -1.26 -4.88 118.68 107.37 3g17 s LEU 250 Ca 0.78 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.56 3g17 s LEU 250 Cb -0.32 -2.26 0.04 0.00 0.03 0.00 0.00 46.19 43.68 3g17 s LEU 250 CO 0.42 -0.06 0.78 -0.62 0.23 0.00 0.00 176.35 177.10 3g17 n GLU 251 N -1.16 1.14 -0.26 1.70 1.02 -1.26 -4.52 120.64 117.30 3g17 n GLU 251 Ca -0.07 -0.14 0.07 0.00 -0.02 0.00 0.00 57.16 57.00 3g17 n GLU 251 Cb 0.58 -1.30 0.20 0.00 -0.02 0.00 0.00 31.44 30.90 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 0.20 0.39 -0.27 2.62 3.04 -1.94 -2.41 116.25 117.87 3g17 h VAL 252 Ca 0.00 -0.06 -0.02 0.00 -1.01 0.00 0.00 66.70 65.61 3g17 h VAL 252 Cb 0.33 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 29.79 3g17 h VAL 252 CO 0.01 0.03 0.07 -0.33 -1.01 0.00 0.00 177.57 176.35 3g17 h GLU 253 N 0.18 0.38 0.00 4.17 4.39 -1.96 0.49 114.58 122.23 3g17 h GLU 253 Ca 0.45 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.10 3g17 h GLU 253 Cb 0.81 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 3g17 h GLU 253 CO -0.61 0.35 -0.30 0.00 -1.16 0.00 0.00 179.01 177.29 3g17 n ALA 254 N -2.49 2.92 -1.97 3.43 0.00 -0.92 -1.57 120.51 119.92 3g17 n ALA 254 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3g17 n ALA 254 Cb 0.15 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 -1.65 0.00 -0.27 0.00 5.41 -0.79 -3.97 119.36 118.09 3g17 n ILE 255 Ca 0.06 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.81 3g17 n ILE 255 Cb 0.36 -0.13 0.13 0.00 -0.71 0.00 0.00 39.64 39.29 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 0.77 -0.62 0.38 7.50 -1.65 -1.51 115.11 119.97 3g17 h GLN 256 Ca 0.00 -0.05 -0.03 0.00 0.50 0.00 0.00 58.65 59.07 3g17 h GLN 256 Cb 0.00 -0.17 -0.03 0.00 0.05 0.00 0.00 27.48 27.33 3g17 h GLN 256 CO 0.00 0.51 0.27 0.78 -1.50 0.00 0.00 178.83 178.89 3g17 h GLY 257 N 0.79 0.98 0.97 3.46 0.00 -1.06 -0.08 103.07 108.12 3g17 h GLY 257 Ca 0.35 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 3g17 h GLY 257 CO -0.21 0.48 0.13 -2.75 0.00 0.00 0.00 176.54 174.20 3g17 h PHE 258 N 0.86 0.30 -0.26 5.60 3.57 -0.89 -0.70 116.94 125.42 3g17 h PHE 258 Ca 0.21 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.71 3g17 h PHE 258 Cb 0.16 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3g17 h PHE 258 CO 0.01 0.24 0.16 0.82 -2.23 0.00 0.00 178.31 177.31 3g17 h ILE 259 N 0.27 1.08 -0.87 1.41 2.04 -1.06 -1.25 117.51 119.14 3g17 h ILE 259 Ca 0.08 -0.17 0.14 0.00 1.00 0.00 0.00 64.86 65.91 3g17 h ILE 259 Cb 0.03 0.73 -0.09 0.00 -0.74 0.00 0.00 36.82 36.75 3g17 h ILE 259 CO -0.01 0.08 0.47 0.22 0.00 0.00 0.00 178.15 178.90 3g17 h TYR 260 N 0.34 0.83 -0.20 1.37 5.03 -0.93 0.82 116.97 124.22 3g17 h TYR 260 Ca 0.09 0.03 -0.21 0.00 2.58 0.00 0.00 58.73 61.23 3g17 h TYR 260 Cb -0.02 -0.24 0.01 0.00 1.55 0.00 0.00 36.73 38.03 3g17 h TYR 260 CO -0.05 0.23 -0.69 0.00 -1.32 0.00 0.00 178.16 176.33 3g17 h ARG 261 N 0.68 0.79 -0.89 1.82 3.08 -0.55 -1.97 114.38 117.34 3g17 h ARG 261 Ca 0.46 -0.58 0.04 0.00 0.07 0.00 0.00 59.98 59.97 3g17 h ARG 261 Cb 0.62 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.71 3g17 h ARG 261 CO -0.34 1.20 0.57 0.00 -1.07 0.00 0.00 179.97 180.34 3g17 h ARG 262 N 0.57 1.06 -0.56 0.04 2.47 -0.90 -0.03 114.38 117.03 3g17 h ARG 262 Ca -0.03 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.61 3g17 h ARG 262 Cb 1.30 -0.24 -0.03 0.00 -1.65 0.00 0.00 29.97 29.35 3g17 h ARG 262 CO 0.14 0.70 0.27 0.00 0.56 0.00 0.00 179.97 181.64 3g17 h ALA 263 N 1.38 1.43 0.04 0.04 0.00 -0.46 -1.97 119.26 119.71 3g17 h ALA 263 Ca 0.37 -0.11 -0.26 0.00 0.00 0.00 0.00 54.91 54.90 3g17 h ALA 263 Cb 0.05 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.63 3g17 h ALA 263 CO -0.13 0.45 -1.06 0.00 0.00 0.00 0.00 179.25 178.50 3g17 h ARG 264 N 0.78 0.54 -0.03 0.00 2.47 -0.90 -0.30 114.38 116.93 3g17 h ARG 264 Ca 0.20 -0.63 0.01 0.00 -1.26 0.00 0.00 59.98 58.29 3g17 h ARG 264 Cb 0.08 0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 28.59 3g17 h ARG 264 CO -0.03 1.25 0.04 0.93 0.56 0.00 0.00 179.97 182.71 3g17 h GLU 265 N 0.28 0.00 -0.33 0.04 5.08 -0.52 -1.90 114.58 117.23 3g17 h GLU 265 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3g17 h GLU 265 Cb 1.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.97 3g17 h GLU 265 CO 0.20 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.93 3g17 n HIS 266 N -3.82 0.44 -3.83 4.33 8.25 -0.79 -4.98 115.22 114.82 3g17 n HIS 266 Ca -0.02 -0.32 -0.26 0.00 -0.26 0.00 0.00 57.72 56.85 3g17 n HIS 266 Cb 0.12 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.25 3g17 n HIS 266 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3g17 n ASN 267 N 0.96 -3.10 -4.87 0.41 3.02 -0.71 -4.96 115.26 106.00 3g17 n ASN 267 Ca 0.14 -0.81 -0.31 0.00 -0.03 0.00 0.00 54.58 53.58 3g17 n ASN 267 Cb 0.47 -3.91 -0.04 0.00 -0.61 0.00 0.00 39.78 35.69 3g17 n ASN 267 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3g17 s LEU 268 N -7.02 3.99 -0.42 3.41 1.43 -0.17 -5.03 118.68 114.87 3g17 s LEU 268 Ca 0.36 1.09 -0.19 0.00 -1.03 0.00 0.00 54.13 54.36 3g17 s LEU 268 Cb -0.18 -3.92 0.02 0.00 0.03 0.00 0.00 46.19 42.13 3g17 s LEU 268 CO 0.83 -0.26 0.56 -0.62 0.23 0.00 0.00 176.35 177.09 3g17 s ASP 269 N -2.73 6.29 -0.47 2.29 3.68 -1.26 -4.84 116.67 119.63 3g17 s ASP 269 Ca 0.51 -0.36 0.07 0.00 2.13 0.00 0.00 52.55 54.89 3g17 s ASP 269 Cb -0.10 -2.28 0.24 0.00 -1.45 0.00 0.00 42.92 39.32 3g17 s ASP 269 CO 0.25 -0.67 0.55 0.35 0.13 0.00 0.00 175.17 175.78 3g17 n THR 270 N 5.66 0.08 -0.28 1.71 -2.24 -1.26 -5.01 114.28 112.93 3g17 n THR 270 Ca -0.04 -4.27 -0.02 0.00 -2.27 0.00 0.00 64.05 57.45 3g17 n THR 270 Cb 0.48 -1.97 0.15 0.00 -2.10 0.00 0.00 70.33 66.89 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 4.29 1.14 -0.05 -0.78 0.13 -1.98 -0.09 132.00 134.66 3g17 h PRO 271 Ca 0.13 -0.12 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 3g17 h PRO 271 Cb 0.83 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 3g17 h PRO 271 CO 0.55 0.83 -0.05 1.88 -0.23 0.00 0.00 178.00 180.98 3g17 h TYR 272 N 1.15 0.15 -0.71 1.56 0.05 -1.95 -1.62 116.97 115.61 3g17 h TYR 272 Ca 0.29 -0.04 0.04 0.00 0.05 0.00 0.00 58.73 59.07 3g17 h TYR 272 Cb 0.01 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 37.67 3g17 h TYR 272 CO 0.01 0.57 0.43 1.25 -1.05 0.00 0.00 178.16 179.37 3g17 h LEU 273 N -0.31 0.68 -0.71 3.88 5.85 -1.83 -2.09 115.31 120.77 3g17 h LEU 273 Ca 0.01 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 3g17 h LEU 273 Cb 0.55 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3g17 h LEU 273 CO 0.01 0.46 0.01 0.44 -0.34 0.00 0.00 178.44 179.02 3g17 h ASP 274 N 0.82 0.97 -0.27 1.25 5.19 -0.83 -0.41 116.42 123.14 3g17 h ASP 274 Ca 0.30 -0.26 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 3g17 h ASP 274 Cb 0.09 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.32 3g17 h ASP 274 CO -0.14 1.02 0.10 0.74 -3.12 0.00 0.00 179.24 177.84 3g17 h THR 275 N 0.91 1.18 -0.06 0.35 2.02 -1.12 -2.04 112.91 114.16 3g17 h THR 275 Ca 0.17 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 3g17 h THR 275 Cb 0.52 1.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3g17 h THR 275 CO 0.03 0.19 0.01 0.40 0.37 0.00 0.00 175.52 176.52 3g17 h ILE 276 N 0.28 1.22 -0.49 3.11 5.03 -1.06 -2.90 117.51 122.69 3g17 h ILE 276 Ca 0.09 -0.66 0.09 0.00 -0.12 0.00 0.00 64.86 64.26 3g17 h ILE 276 Cb 0.21 1.55 -0.07 0.00 -3.03 0.00 0.00 36.82 35.47 3g17 h ILE 276 CO -0.01 0.18 0.06 0.22 -0.68 0.00 0.00 178.15 177.92 3g17 h TYR 277 N -0.15 0.08 -0.07 1.37 3.20 -1.10 -1.91 116.97 118.39 3g17 h TYR 277 Ca 0.02 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.96 3g17 h TYR 277 Cb 0.28 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 3g17 h TYR 277 CO 0.02 -0.05 -0.26 0.77 -1.64 0.00 0.00 178.16 177.00 3g17 h SER 278 N 0.18 -0.78 -0.56 -2.11 0.02 -1.26 0.33 113.55 109.37 3g17 h SER 278 Ca 0.25 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3g17 h SER 278 Cb 0.35 0.33 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 3g17 h SER 278 CO -0.36 -0.31 0.35 -0.26 -1.14 0.00 0.00 176.83 175.11 3g17 h PHE 279 N -0.36 0.73 -0.07 3.45 0.04 -1.36 0.49 116.94 119.86 3g17 h PHE 279 Ca 0.08 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.74 3g17 h PHE 279 Cb 0.48 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 3g17 h PHE 279 CO -0.33 0.49 -0.50 -0.07 -0.60 0.00 0.00 178.31 177.30 3g17 h LEU 280 N 0.76 0.19 -0.09 1.54 3.38 -0.87 0.16 115.31 120.40 3g17 h LEU 280 Ca 0.20 -0.09 -0.21 0.00 0.09 0.00 0.00 57.88 57.88 3g17 h LEU 280 Cb -0.04 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.67 3g17 h LEU 280 CO -0.04 0.66 -0.75 -0.09 0.09 0.00 0.00 178.44 178.31 3g17 h ARG 281 N 0.14 0.66 -0.38 1.13 9.65 -0.26 -1.54 114.38 123.78 3g17 h ARG 281 Ca 0.00 -0.59 0.01 0.00 -1.10 0.00 0.00 59.98 58.30 3g17 h ARG 281 Cb 0.93 0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.63 3g17 h ARG 281 CO 0.07 1.20 0.24 0.00 2.80 0.00 0.00 179.97 184.29 3g17 h ALA 282 N 0.46 0.48 -0.53 2.80 0.00 -0.60 0.60 119.26 122.48 3g17 h ALA 282 Ca -0.07 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.91 3g17 h ALA 282 Cb 1.40 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 3g17 h ALA 282 CO 0.15 -0.09 0.13 -0.92 0.00 0.00 0.00 179.25 178.52 3g17 h TYR 283 N 0.48 0.22 -0.78 0.00 3.20 -0.95 -1.88 116.97 117.26 3g17 h TYR 283 Ca 0.15 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 3g17 h TYR 283 Cb -0.02 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.19 3g17 h TYR 283 CO -0.06 0.02 0.35 0.37 -1.64 0.00 0.00 178.16 177.19 3g17 h GLN 284 N 0.28 1.15 -0.15 1.82 5.75 -0.28 -1.39 115.11 122.28 3g17 h GLN 284 Ca 0.27 -0.19 -0.19 0.00 -0.15 0.00 0.00 58.65 58.39 3g17 h GLN 284 Cb 0.35 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.70 3g17 h GLN 284 CO -0.32 0.91 -0.68 1.96 -2.65 0.00 0.00 178.83 178.04 3g17 h GLN 285 N 1.12 0.62 -0.29 1.69 1.08 -0.68 -1.14 115.11 117.51 3g17 h GLN 285 Ca 0.26 -0.46 -0.01 0.00 -1.45 0.00 0.00 58.65 57.00 3g17 h GLN 285 Cb 0.17 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 3g17 h GLN 285 CO -0.03 1.08 0.16 -0.97 -0.95 0.00 0.00 178.83 178.13 3g17 h ASN 286 N 0.44 0.36 -0.27 1.46 -1.24 -1.19 -1.26 115.58 113.88 3g17 h ASN 286 Ca -0.02 -0.08 0.03 0.00 0.71 0.00 0.00 56.30 56.94 3g17 h ASN 286 Cb 1.27 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 40.20 3g17 h ASN 286 CO 0.13 0.34 0.08 -0.08 -1.29 0.00 0.00 177.43 176.61 3g17 h GLU 287 N 0.36 0.19 -0.82 6.67 4.22 -1.16 -0.90 114.58 123.13 3g17 h GLU 287 Ca 0.10 -0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.57 3g17 h GLU 287 Cb 0.06 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 3g17 h GLU 287 CO -0.02 0.13 0.52 0.78 -2.18 0.00 0.00 179.01 178.24 3g17 h GLY 288 N 0.20 1.20 1.42 1.92 0.00 -1.10 -2.05 103.07 104.65 3g17 h GLY 288 Ca 0.12 -0.39 -0.18 0.00 0.00 0.00 0.00 47.33 46.88 3g17 h GLY 288 CO -0.13 0.32 -0.65 0.84 0.00 0.00 0.00 176.54 176.91 3g17 h HIS 289 N 1.00 0.77 -0.70 5.60 -0.00 -0.71 -3.09 115.15 118.02 3g17 h HIS 289 Ca 0.33 -0.31 -0.23 0.00 -0.00 0.00 0.00 60.37 60.17 3g17 h HIS 289 Cb 0.04 -0.13 -0.14 0.00 -0.00 0.00 0.00 27.41 27.18 3g17 h HIS 289 CO -0.03 1.08 0.26 0.72 -0.00 0.00 0.00 177.93 179.96 3g17 n HIS 290 N -3.92 2.31 0.09 5.26 8.25 -0.39 -4.89 115.22 121.93 3g17 n HIS 290 Ca -0.04 -1.27 -0.04 0.00 -0.26 0.00 0.00 57.72 56.11 3g17 n HIS 290 Cb 0.67 -0.67 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 3g17 n HIS 290 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3g17 h HIS 291 N 2.33 -0.22 0.00 4.41 2.76 -1.28 -3.49 115.15 119.66 3g17 h HIS 291 Ca 0.28 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 3g17 h HIS 291 Cb 2.28 0.07 0.00 0.00 1.55 0.00 0.00 27.41 31.31 3g17 h HIS 291 CO 1.24 -0.13 0.00 -2.39 -1.30 0.00 0.00 177.93 175.35