#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qxh s ILE 17 N 0.00 5.26 -1.45 1.39 -1.09 0.12 -4.01 121.20 121.42 2qxh s ILE 17 Ca 0.00 0.54 -0.09 0.00 -2.23 0.00 0.00 60.65 58.87 2qxh s ILE 17 Cb 0.00 -3.58 0.05 0.00 -1.58 0.00 0.00 42.46 37.35 2qxh s ILE 17 CO 0.00 0.55 0.90 -0.67 -1.23 0.00 0.00 174.94 174.49 2qxh n ASP 18 N 2.26 -3.67 0.00 3.58 4.64 -1.26 -2.66 116.55 119.44 2qxh n ASP 18 Ca -0.16 -0.78 0.00 0.00 -1.38 0.00 0.00 54.79 52.47 2qxh n ASP 18 Cb 0.53 -3.99 0.00 0.00 -1.04 0.00 0.00 41.12 36.63 2qxh n ASP 18 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2qxh n GLY 19 N -1.67 5.33 3.35 0.27 0.00 -1.26 -4.71 105.19 106.50 2qxh n GLY 19 Ca -0.07 -1.95 -0.10 0.00 0.00 0.00 0.00 46.02 43.89 2qxh n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qxh s ALA 20 N -2.12 -0.80 0.23 4.61 0.00 -0.16 -4.94 121.76 118.59 2qxh s ALA 20 Ca 0.00 -0.20 -0.32 0.00 0.00 0.00 0.00 51.96 51.44 2qxh s ALA 20 Cb 0.00 0.73 -0.13 0.00 0.00 0.00 0.00 23.12 23.71 2qxh s ALA 20 CO 0.00 -0.67 1.48 -2.30 0.00 0.00 0.00 175.76 174.27 2qxh n PRO 21 N -0.24 2.16 -1.05 0.00 -0.02 -1.26 0.44 135.00 135.03 2qxh n PRO 21 Ca -0.14 0.77 -0.31 0.00 -2.02 0.00 0.00 63.50 61.80 2qxh n PRO 21 Cb 0.63 -2.47 0.12 0.00 -0.02 0.00 0.00 33.50 31.76 2qxh n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qxh s ALA 23 N -2.81 3.69 -0.07 0.00 0.00 -1.26 -4.88 121.76 116.42 2qxh s ALA 23 Ca 0.63 1.31 -0.36 0.00 0.00 0.00 0.00 51.96 53.55 2qxh s ALA 23 Cb -0.19 -3.58 -0.13 0.00 0.00 0.00 0.00 23.12 19.21 2qxh s ALA 23 CO 0.57 -0.73 1.75 -2.13 0.00 0.00 0.00 175.76 175.21 2qxh n ARG 24 N 3.35 1.83 -0.96 0.00 3.00 -1.26 -1.46 116.66 121.16 2qxh n ARG 24 Ca 0.11 0.67 0.00 0.00 -0.00 0.00 0.00 57.85 58.63 2qxh n ARG 24 Cb 0.40 -2.44 0.00 0.00 0.00 0.00 0.00 32.46 30.41 2qxh n ARG 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2qxh n GLY 25 N 4.01 0.66 0.04 5.14 0.00 -1.26 -4.90 105.19 108.88 2qxh n GLY 25 Ca 0.22 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.38 2qxh n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qxh n SER 26 N -0.07 0.31 -2.89 1.61 3.41 -0.54 -4.21 113.62 111.25 2qxh n SER 26 Ca 0.00 -0.10 -0.23 0.00 -0.26 0.00 0.00 58.87 58.28 2qxh n SER 26 Cb 0.03 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 63.83 2qxh n SER 26 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2qxh n HIS 27 N -1.31 2.83 0.26 7.33 8.25 -1.26 -4.91 115.22 126.41 2qxh n HIS 27 Ca 0.09 -3.69 0.08 0.00 -0.26 0.00 0.00 57.72 53.94 2qxh n HIS 27 Cb 0.32 -0.39 0.37 0.00 1.12 0.00 0.00 29.99 31.40 2qxh n HIS 27 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2qxh n PRO 28 N -0.16 0.09 0.00 -0.41 -0.04 -1.26 -1.92 135.00 131.30 2qxh n PRO 28 Ca 0.29 0.46 0.12 0.00 -0.04 0.00 0.00 63.50 64.34 2qxh n PRO 28 Cb 0.54 -1.73 0.19 0.00 -0.04 0.00 0.00 33.50 32.46 2qxh n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2qxh n TRP 29 N -1.91 0.00 -2.79 0.54 4.27 -1.24 -1.72 117.44 114.59 2qxh n TRP 29 Ca 0.01 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.21 2qxh n TRP 29 Cb 0.11 -0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.01 2qxh n TRP 29 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 2qxh s GLN 30 N -2.06 4.62 0.24 -2.67 2.00 -0.81 -0.26 119.66 120.73 2qxh s GLN 30 Ca 0.29 1.34 0.02 0.00 -2.00 0.00 0.00 55.36 55.01 2qxh s GLN 30 Cb 0.20 -3.39 -0.05 0.00 0.80 0.00 0.00 33.01 30.57 2qxh s GLN 30 CO 0.34 0.19 0.05 0.14 -0.50 0.00 0.00 175.29 175.51 2qxh s VAL 31 N 0.16 0.74 -0.01 1.34 -7.23 -0.71 -4.56 120.40 110.12 2qxh s VAL 31 Ca 0.45 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.68 2qxh s VAL 31 Cb -0.22 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.22 2qxh s VAL 31 CO 0.28 -0.17 -0.18 0.00 -0.31 0.00 0.00 175.10 174.71 2qxh s ALA 32 N -3.63 1.53 -0.26 1.32 0.00 -0.74 -1.58 121.76 118.40 2qxh s ALA 32 Ca 0.33 -0.81 -0.10 0.00 0.00 0.00 0.00 51.96 51.38 2qxh s ALA 32 Cb 0.07 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 2qxh s ALA 32 CO 0.11 0.37 0.14 -0.51 0.00 0.00 0.00 175.76 175.87 2qxh s LEU 33 N -0.51 3.85 0.18 0.00 1.43 0.13 -0.96 118.68 122.80 2qxh s LEU 33 Ca 0.07 -0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.21 2qxh s LEU 33 Cb -0.07 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 2qxh s LEU 33 CO -0.00 -0.01 -0.05 -0.76 0.23 0.00 0.00 176.35 175.75 2qxh s LEU 34 N 1.51 3.13 -0.61 1.79 1.43 0.66 -0.90 118.68 125.70 2qxh s LEU 34 Ca 0.07 -0.49 -0.09 0.00 -1.03 0.00 0.00 54.13 52.58 2qxh s LEU 34 Cb -0.15 -1.80 0.16 0.00 0.03 0.00 0.00 46.19 44.43 2qxh s LEU 34 CO 0.07 0.10 0.49 -0.55 0.23 0.00 0.00 176.35 176.68 2qxh s SER 35 N -2.88 5.87 1.05 2.29 0.15 0.88 -1.98 113.70 119.07 2qxh s SER 35 Ca 0.26 -2.37 0.00 0.00 0.70 0.00 0.00 55.95 54.54 2qxh s SER 35 Cb -0.09 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 2qxh s SER 35 CO 0.17 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.64 2qxh n GLY 36 N 4.29 1.68 0.71 9.45 0.00 -1.26 -2.22 105.19 117.84 2qxh n GLY 36 Ca 0.02 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 45.84 2qxh n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qxh n ASN 38 N 10.07 1.50 -4.35 1.61 5.03 -1.26 -4.71 115.26 123.15 2qxh n ASN 38 Ca 0.00 -3.13 -0.33 0.00 0.87 0.00 0.00 54.58 51.99 2qxh n ASN 38 Cb 0.00 -0.43 -0.15 0.00 -1.02 0.00 0.00 39.78 38.19 2qxh n ASN 38 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 2qxh s GLN 39 N -2.10 3.29 0.20 3.52 0.74 -0.94 -5.01 119.66 119.36 2qxh s GLN 39 Ca 0.33 -0.72 -0.32 0.00 0.05 0.00 0.00 55.36 54.69 2qxh s GLN 39 Cb 0.32 -2.56 -0.14 0.00 1.10 0.00 0.00 33.01 31.74 2qxh s GLN 39 CO -0.07 0.23 1.49 -0.11 -0.55 0.00 0.00 175.29 176.27 2qxh n LEU 40 N 3.47 3.10 -0.01 3.68 7.94 -1.26 -0.09 117.00 133.83 2qxh n LEU 40 Ca -0.18 1.12 -0.03 0.00 -1.11 0.00 0.00 56.01 55.80 2qxh n LEU 40 Cb 0.53 -1.43 -0.01 0.00 0.53 0.00 0.00 43.42 43.04 2qxh n LEU 40 CO 0.30 -0.40 -0.59 1.57 -1.11 0.00 0.00 177.39 177.16 2qxh n HIS 41 N 2.59 0.00 -3.81 1.96 -0.00 -0.08 -4.78 115.22 111.10 2qxh n HIS 41 Ca 0.14 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.78 2qxh n HIS 41 Cb 0.30 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.99 30.17 2qxh n HIS 41 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2qxh n GLY 43 N -0.44 0.47 3.82 0.00 0.00 0.19 0.22 105.19 109.45 2qxh n GLY 43 Ca -0.06 -1.97 0.03 0.00 0.00 0.00 0.00 46.02 44.02 2qxh n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qxh s GLY 44 N -4.27 -0.27 0.01 -0.02 0.00 -0.61 -4.16 107.32 97.99 2qxh s GLY 44 Ca 0.45 0.37 0.02 0.00 0.00 0.00 0.00 44.72 45.56 2qxh s GLY 44 CO 0.30 3.34 -0.08 -1.34 0.00 0.00 0.00 173.10 175.32 2qxh s VAL 45 N -2.14 0.61 -0.22 1.40 -7.23 -0.04 -1.74 120.40 111.04 2qxh s VAL 45 Ca 0.23 -0.54 -0.24 0.00 -1.81 0.00 0.00 61.98 59.62 2qxh s VAL 45 Cb 0.02 -0.56 -0.01 0.00 0.56 0.00 0.00 36.38 36.40 2qxh s VAL 45 CO -0.03 0.03 0.80 -0.22 -0.31 0.00 0.00 175.10 175.38 2qxh s LEU 46 N -0.56 4.11 -0.15 1.32 2.96 0.64 -0.27 118.68 126.73 2qxh s LEU 46 Ca 0.00 1.04 -0.14 0.00 -0.22 0.00 0.00 54.13 54.82 2qxh s LEU 46 Cb -0.05 -3.16 -0.24 0.00 0.50 0.00 0.00 46.19 43.24 2qxh s LEU 46 CO 0.00 -0.46 0.34 0.58 -1.32 0.00 0.00 176.35 175.50 2qxh h VAL 47 N 5.34 0.79 -2.96 1.68 2.07 -1.41 -0.01 116.25 121.74 2qxh h VAL 47 Ca -0.26 -2.29 -0.01 0.00 0.82 0.00 0.00 66.70 64.97 2qxh h VAL 47 Cb 1.11 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 2qxh h VAL 47 CO 0.85 0.66 0.30 0.54 0.02 0.00 0.00 177.57 179.94 2qxh s ASN 48 N -6.98 0.01 0.62 0.57 2.20 -1.17 -4.43 114.94 105.76 2qxh s ASN 48 Ca -0.24 -1.12 0.25 0.00 -0.94 0.00 0.00 52.86 50.81 2qxh s ASN 48 Cb 0.06 0.83 1.13 0.00 -2.00 0.00 0.00 41.25 41.27 2qxh s ASN 48 CO 0.71 -1.64 1.58 -0.33 -2.94 0.00 0.00 177.10 174.47 2qxh h GLU 49 N 2.00 0.00 -0.00 3.55 3.07 -1.96 -2.26 114.58 118.98 2qxh h GLU 49 Ca -0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 2qxh h GLU 49 Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 2qxh h GLU 49 CO 0.41 0.00 -0.01 0.54 -1.40 0.00 0.00 179.01 178.55 2qxh n ARG 50 N -3.28 1.42 -4.42 2.33 5.12 -1.26 -0.24 116.66 116.32 2qxh n ARG 50 Ca 0.11 -0.37 -0.19 0.00 -1.93 0.00 0.00 57.85 55.47 2qxh n ARG 50 Cb 0.98 -0.86 -0.15 0.00 -1.16 0.00 0.00 32.46 31.27 2qxh n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2qxh s TRP 51 N -0.35 0.91 -0.04 -1.55 0.52 -0.85 -0.85 118.94 116.73 2qxh s TRP 51 Ca 0.01 -0.18 0.06 0.00 0.02 0.00 0.00 56.10 56.01 2qxh s TRP 51 Cb 0.00 -0.59 -0.02 0.00 -1.15 0.00 0.00 33.47 31.72 2qxh s TRP 51 CO 0.01 -0.02 -0.23 0.08 0.02 0.00 0.00 176.95 176.81 2qxh s VAL 52 N -0.20 2.31 -0.13 4.03 1.01 -0.21 -1.00 120.40 126.21 2qxh s VAL 52 Ca 0.03 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 2qxh s VAL 52 Cb -0.04 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 2qxh s VAL 52 CO -0.00 0.58 0.01 -0.22 0.00 0.00 0.00 175.10 175.46 2qxh s LEU 53 N -0.46 3.55 0.00 3.92 2.96 0.62 -0.40 118.68 128.88 2qxh s LEU 53 Ca 0.05 0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 2qxh s LEU 53 Cb -0.12 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.73 2qxh s LEU 53 CO 0.01 0.26 0.04 1.07 -1.32 0.00 0.00 176.35 176.41 2qxh n THR 54 N 2.91 0.00 -3.07 3.68 5.66 -0.26 -0.86 114.28 122.34 2qxh n THR 54 Ca -0.18 -0.08 -0.37 0.00 -3.05 0.00 0.00 64.05 60.38 2qxh n THR 54 Cb 0.53 0.06 -0.06 0.00 -1.55 0.00 0.00 70.33 69.31 2qxh n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qxh s ALA 55 N -1.32 3.41 0.36 1.79 0.00 -1.26 -0.04 121.76 124.70 2qxh s ALA 55 Ca 0.01 0.20 0.17 0.00 0.00 0.00 0.00 51.96 52.35 2qxh s ALA 55 Cb -0.00 -2.85 0.91 0.00 0.00 0.00 0.00 23.12 21.18 2qxh s ALA 55 CO 0.01 0.32 1.89 0.00 0.00 0.00 0.00 175.76 177.97 2qxh h ALA 56 N 3.53 1.34 0.00 0.00 0.00 -1.71 -2.16 119.26 120.26 2qxh h ALA 56 Ca -0.48 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2qxh h ALA 56 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2qxh h ALA 56 CO 0.65 0.37 0.00 -2.39 0.00 0.00 0.00 179.25 177.88 2qxh n HIS 57 N -3.93 0.00 0.77 0.00 1.44 -1.26 -2.03 115.22 110.20 2qxh n HIS 57 Ca -0.02 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.80 2qxh n HIS 57 Cb 0.37 -0.11 0.29 0.00 0.12 0.00 0.00 29.99 30.65 2qxh n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2qxh n LYS 59 N 0.89 1.33 -4.08 0.00 3.00 -0.86 -4.99 118.16 113.45 2qxh n LYS 59 Ca 0.17 0.48 -0.09 0.00 -0.00 0.00 0.00 58.31 58.87 2qxh n LYS 59 Cb 0.46 -2.15 -0.09 0.00 0.00 0.00 0.00 35.03 33.25 2qxh n LYS 59 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2qxh s MET 60 N 0.83 0.97 0.13 1.64 -1.94 -1.26 -5.06 119.30 114.61 2qxh s MET 60 Ca 0.85 -1.34 -0.19 0.00 -1.71 0.00 0.00 55.69 53.30 2qxh s MET 60 Cb -0.91 0.28 -0.06 0.00 2.01 0.00 0.00 34.83 36.16 2qxh s MET 60 CO 0.47 -0.30 1.78 -0.97 -0.01 0.00 0.00 175.02 175.99 2qxh h ASN 61 N 2.79 0.26 -5.21 3.03 -1.24 -1.94 -3.46 115.58 109.80 2qxh h ASN 61 Ca -0.34 -0.01 -0.08 0.00 0.71 0.00 0.00 56.30 56.59 2qxh h ASN 61 Cb 1.20 -0.06 -0.12 0.00 0.73 0.00 0.00 38.32 40.07 2qxh h ASN 61 CO 0.56 0.19 -0.22 -1.83 -1.29 0.00 0.00 177.43 174.84 2qxh s GLU 62 N -6.17 1.22 0.17 6.67 -1.05 -1.26 -4.69 118.70 113.59 2qxh s GLU 62 Ca -0.13 -1.08 -0.01 0.00 -0.15 0.00 0.00 54.97 53.60 2qxh s GLU 62 Cb 0.09 0.42 -0.04 0.00 -0.44 0.00 0.00 34.13 34.16 2qxh s GLU 62 CO 0.70 -0.47 0.10 0.71 0.95 0.00 0.00 175.26 177.25 2qxh s TYR 63 N -3.94 1.04 -0.14 4.83 1.51 0.10 -4.93 117.35 115.82 2qxh s TYR 63 Ca 0.15 -1.32 0.01 0.00 -1.01 0.00 0.00 57.07 54.90 2qxh s TYR 63 Cb 0.02 -0.53 0.02 0.00 -0.11 0.00 0.00 41.96 41.36 2qxh s TYR 63 CO -0.01 -0.59 -0.18 0.99 -1.11 0.00 0.00 175.55 174.65 2qxh s THR 64 N -4.11 1.82 -0.22 -0.71 2.01 -0.84 -0.80 115.64 112.78 2qxh s THR 64 Ca 0.33 -0.81 -0.10 0.00 0.31 0.00 0.00 61.69 61.42 2qxh s THR 64 Cb 0.07 -1.64 -0.05 0.00 0.01 0.00 0.00 72.50 70.89 2qxh s THR 64 CO 0.08 0.50 0.14 -0.69 -0.69 0.00 0.00 174.62 173.96 2qxh s VAL 65 N 1.12 5.31 -0.21 3.82 1.01 0.19 -0.24 120.40 131.40 2qxh s VAL 65 Ca -0.01 0.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.00 2qxh s VAL 65 Cb -0.14 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 2qxh s VAL 65 CO -0.06 0.38 0.23 -2.28 0.00 0.00 0.00 175.10 173.37 2qxh s HIS 66 N 0.83 3.37 0.05 5.22 5.65 -0.14 -1.44 115.29 128.84 2qxh s HIS 66 Ca 0.07 0.40 -0.03 0.00 0.25 0.00 0.00 55.06 55.76 2qxh s HIS 66 Cb -0.13 -2.32 -0.03 0.00 -1.18 0.00 0.00 32.58 28.93 2qxh s HIS 66 CO 0.02 0.13 0.03 -0.51 -0.65 0.00 0.00 174.74 173.76 2qxh s LEU 67 N 0.87 2.18 -0.12 8.88 1.02 -0.59 -1.80 118.68 129.12 2qxh s LEU 67 Ca 0.12 -0.83 0.00 0.00 0.02 0.00 0.00 54.13 53.44 2qxh s LEU 67 Cb -0.13 0.40 0.00 0.00 0.02 0.00 0.00 46.19 46.48 2qxh s LEU 67 CO 0.04 -0.59 0.00 0.61 0.02 0.00 0.00 176.35 176.43 2qxh n GLY 69 N 0.29 0.45 3.64 -3.19 0.00 -1.25 -1.15 105.19 103.97 2qxh n GLY 69 Ca -0.16 -1.01 -0.06 0.00 0.00 0.00 0.00 46.02 44.79 2qxh n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qxh s SER 70 N -2.98 -0.63 0.00 1.61 0.15 -1.26 -4.80 113.70 105.79 2qxh s SER 70 Ca 0.00 1.08 0.21 0.00 0.70 0.00 0.00 55.95 57.94 2qxh s SER 70 Cb 0.00 1.20 0.92 0.00 -1.71 0.00 0.00 66.02 66.43 2qxh s SER 70 CO 0.00 -0.18 1.68 0.47 1.20 0.00 0.00 173.24 176.41 2qxh n ASP 71 N 3.38 0.00 -4.47 5.45 8.00 -1.26 -4.53 116.55 123.13 2qxh n ASP 71 Ca -0.17 0.45 -0.42 0.00 0.71 0.00 0.00 54.79 55.36 2qxh n ASP 71 Cb 0.57 -0.48 -0.10 0.00 -0.02 0.00 0.00 41.12 41.09 2qxh n ASP 71 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2qxh s THR 72 N -2.96 5.22 0.11 -3.53 2.01 -1.26 -0.45 115.64 114.78 2qxh s THR 72 Ca 0.11 -0.59 -0.31 0.00 0.31 0.00 0.00 61.69 61.22 2qxh s THR 72 Cb 0.14 -3.86 -0.08 0.00 0.01 0.00 0.00 72.50 68.71 2qxh s THR 72 CO 0.38 -0.25 1.41 -0.22 -0.69 0.00 0.00 174.62 175.25 2qxh s LEU 73 N 1.68 4.37 0.00 4.42 2.96 0.67 -1.88 118.68 130.89 2qxh s LEU 73 Ca 0.05 2.34 0.00 0.00 -0.22 0.00 0.00 54.13 56.30 2qxh s LEU 73 Cb -0.19 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.92 2qxh s LEU 73 CO 0.10 -0.68 0.00 0.61 -1.32 0.00 0.00 176.35 175.06 2qxh n GLY 74 N 3.54 0.71 3.68 7.98 0.00 -1.26 -4.89 105.19 114.96 2qxh n GLY 74 Ca 0.12 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2qxh n GLY 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qxh s ASP 75 N -2.02 6.46 0.62 1.61 -1.08 -0.79 -4.84 116.67 116.63 2qxh s ASP 75 Ca 0.00 2.68 0.38 0.00 -0.52 0.00 0.00 52.55 55.09 2qxh s ASP 75 Cb 0.00 -2.56 2.04 0.00 -1.46 0.00 0.00 42.92 40.94 2qxh s ASP 75 CO 0.00 -1.00 2.26 0.03 0.52 0.00 0.00 175.17 176.99 2qxh h ARG 76 N 9.00 0.00 -0.54 4.34 3.08 -1.94 -2.15 114.38 126.17 2qxh h ARG 76 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2qxh h ARG 76 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2qxh h ARG 76 CO 0.94 0.02 0.00 0.54 -1.07 0.00 0.00 179.97 180.40 2qxh n ARG 77 N -3.35 2.61 -2.28 0.04 1.74 -1.26 -4.98 116.66 109.17 2qxh n ARG 77 Ca -0.02 -2.46 -0.33 0.00 -0.77 0.00 0.00 57.85 54.27 2qxh n ARG 77 Cb 0.12 -1.54 -0.01 0.00 -1.02 0.00 0.00 32.46 30.01 2qxh n ARG 77 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qxh s ALA 78 N -1.27 2.82 0.24 7.54 0.00 -0.81 -5.01 121.76 125.27 2qxh s ALA 78 Ca 0.43 0.47 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 2qxh s ALA 78 Cb 0.24 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 20.04 2qxh s ALA 78 CO 0.32 -0.56 1.06 -1.14 0.00 0.00 0.00 175.76 175.45 2qxh s GLN 79 N -3.72 4.68 -0.06 0.00 0.74 -0.30 -4.91 119.66 116.08 2qxh s GLN 79 Ca 0.65 1.70 0.01 0.00 0.05 0.00 0.00 55.36 57.77 2qxh s GLN 79 Cb -0.16 -3.24 0.02 0.00 1.10 0.00 0.00 33.01 30.73 2qxh s GLN 79 CO 0.29 0.24 -0.07 1.03 -0.55 0.00 0.00 175.29 176.24 2qxh s ARG 80 N -1.05 1.19 -0.03 1.67 0.52 -1.26 -1.54 118.95 118.45 2qxh s ARG 80 Ca 0.45 -0.20 0.02 0.00 -0.52 0.00 0.00 55.73 55.48 2qxh s ARG 80 Cb -0.30 -1.15 0.01 0.00 0.52 0.00 0.00 34.95 34.03 2qxh s ARG 80 CO 0.37 -0.10 -0.08 0.42 0.02 0.00 0.00 175.30 175.93 2qxh s ILE 81 N 1.06 0.75 0.29 1.52 1.01 -0.52 -4.94 121.20 120.38 2qxh s ILE 81 Ca -0.08 -0.32 -0.28 0.00 0.00 0.00 0.00 60.65 59.97 2qxh s ILE 81 Cb -0.14 -0.69 -0.09 0.00 0.01 0.00 0.00 42.46 41.54 2qxh s ILE 81 CO -0.01 0.25 1.01 -0.75 0.00 0.00 0.00 174.94 175.44 2qxh s LYS 82 N 0.40 4.64 -0.08 2.79 2.47 -1.26 0.54 119.74 129.24 2qxh s LYS 82 Ca -0.06 1.58 -0.00 0.00 -1.56 0.00 0.00 55.97 55.92 2qxh s LYS 82 Cb -0.11 -3.07 0.02 0.00 -1.46 0.00 0.00 37.83 33.22 2qxh s LYS 82 CO 0.01 0.28 -0.05 0.00 0.16 0.00 0.00 175.35 175.75 2qxh s ALA 83 N -1.31 0.99 -0.08 3.13 0.00 0.02 -0.90 121.76 123.61 2qxh s ALA 83 Ca 0.46 -0.30 0.12 0.00 0.00 0.00 0.00 51.96 52.24 2qxh s ALA 83 Cb -0.26 -0.73 -0.17 0.00 0.00 0.00 0.00 23.12 21.96 2qxh s ALA 83 CO 0.33 -0.29 0.15 0.43 0.00 0.00 0.00 175.76 176.38 2qxh n SER 84 N 4.71 2.01 -4.59 0.00 7.64 -1.25 0.02 113.62 122.15 2qxh n SER 84 Ca -0.14 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.39 2qxh n SER 84 Cb 0.50 1.15 -0.11 0.00 -1.01 0.00 0.00 64.21 64.74 2qxh n SER 84 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2qxh s LYS 87 N -2.56 3.29 -0.00 1.43 1.02 -1.26 -4.63 119.74 117.02 2qxh s LYS 87 Ca -0.05 -0.47 -0.06 0.00 0.02 0.00 0.00 55.97 55.40 2qxh s LYS 87 Cb 0.06 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 2qxh s LYS 87 CO 0.52 0.49 0.12 -1.54 -0.92 0.00 0.00 175.35 174.02 2qxh s SER 88 N -0.30 0.02 -0.17 2.83 1.04 -1.26 -0.62 113.70 115.24 2qxh s SER 88 Ca 0.06 -0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.29 2qxh s SER 88 Cb -0.12 0.21 0.06 0.00 0.10 0.00 0.00 66.02 66.26 2qxh s SER 88 CO 0.02 -0.32 0.07 -0.36 0.98 0.00 0.00 173.24 173.64 2qxh s PHE 89 N -1.17 0.45 0.50 5.02 0.08 0.88 -4.97 117.98 118.77 2qxh s PHE 89 Ca -0.13 -0.46 -0.19 0.00 0.12 0.00 0.00 56.93 56.28 2qxh s PHE 89 Cb -0.07 -0.79 -0.08 0.00 -0.57 0.00 0.00 43.02 41.52 2qxh s PHE 89 CO 0.01 -0.53 1.01 1.03 -0.10 0.00 0.00 175.22 176.64 2qxh s ARG 90 N 2.05 3.83 0.31 0.44 0.52 -1.26 -1.39 118.95 123.46 2qxh s ARG 90 Ca 0.01 1.18 -0.29 0.00 -0.52 0.00 0.00 55.73 56.11 2qxh s ARG 90 Cb -0.16 -2.11 -0.12 0.00 0.52 0.00 0.00 34.95 33.08 2qxh s ARG 90 CO -0.08 -0.38 1.49 1.58 0.02 0.00 0.00 175.30 177.93 2qxh n HIS 91 N -1.25 2.69 0.31 -0.53 -0.00 -0.56 -4.85 115.22 111.03 2qxh n HIS 91 Ca 0.08 0.38 0.19 0.00 -0.00 0.00 0.00 57.72 58.37 2qxh n HIS 91 Cb 0.53 -2.53 1.05 0.00 -0.00 0.00 0.00 29.99 29.04 2qxh n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2qxh h PRO 92 N 3.89 0.00 -0.45 1.57 0.13 -1.92 -1.56 132.00 133.67 2qxh h PRO 92 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2qxh h PRO 92 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2qxh h PRO 92 CO 0.72 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.90 2qxh n GLY 93 N -1.20 1.26 3.77 1.56 0.00 -1.26 -4.95 105.19 104.37 2qxh n GLY 93 Ca -0.02 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 2qxh n GLY 93 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qxh s TYR 94 N -1.41 3.14 -0.14 1.61 5.04 -0.59 -4.57 117.35 120.43 2qxh s TYR 94 Ca 0.34 1.45 0.02 0.00 -2.44 0.00 0.00 57.07 56.44 2qxh s TYR 94 Cb 0.18 -3.62 0.01 0.00 0.35 0.00 0.00 41.96 38.89 2qxh s TYR 94 CO 0.24 -1.66 -0.21 0.45 -1.34 0.00 0.00 175.55 173.03 2qxh s SER 95 N -0.50 3.06 0.00 4.32 0.15 -1.11 -4.97 113.70 114.64 2qxh s SER 95 Ca 0.49 -0.59 0.23 0.00 0.70 0.00 0.00 55.95 56.77 2qxh s SER 95 Cb -0.38 -1.42 1.16 0.00 -1.71 0.00 0.00 66.02 63.66 2qxh s SER 95 CO 0.50 0.07 1.74 0.35 1.20 0.00 0.00 173.24 177.10 2qxh n THR 96 N 4.12 0.27 -0.09 6.45 -2.24 -1.26 -0.22 114.28 121.31 2qxh n THR 96 Ca -0.20 0.07 -0.14 0.00 -2.27 0.00 0.00 64.05 61.51 2qxh n THR 96 Cb 0.51 -0.70 -0.06 0.00 -2.10 0.00 0.00 70.33 67.99 2qxh n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qxh n GLN 97 N -1.26 0.51 -0.01 -0.78 6.02 -1.26 -4.69 117.38 115.92 2qxh n GLN 97 Ca 0.11 0.46 0.10 0.00 -0.01 0.00 0.00 57.00 57.66 2qxh n GLN 97 Cb 0.17 -1.64 -0.15 0.00 1.02 0.00 0.00 30.24 29.64 2qxh n GLN 97 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2qxh n THR 98 N -4.49 0.00 -1.40 5.09 -2.24 -1.22 -4.99 114.28 105.03 2qxh n THR 98 Ca -0.22 -0.35 -0.10 0.00 -2.27 0.00 0.00 64.05 61.11 2qxh n THR 98 Cb 0.51 0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.99 2qxh n THR 98 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2qxh n HIS 99 N -2.02 -0.06 -2.31 4.78 8.25 0.70 -5.00 115.22 119.56 2qxh n HIS 99 Ca -0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.08 2qxh n HIS 99 Cb 0.49 -1.96 -0.01 0.00 1.12 0.00 0.00 29.99 29.63 2qxh n HIS 99 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2qxh s VAL 100 N -2.38 3.25 -1.35 1.59 0.11 -1.26 -3.02 120.40 117.34 2qxh s VAL 100 Ca 0.00 0.85 -0.04 0.00 -2.93 0.00 0.00 61.98 59.86 2qxh s VAL 100 Cb 0.00 -3.39 0.02 0.00 -1.53 0.00 0.00 36.38 31.48 2qxh s VAL 100 CO 0.00 -0.09 0.89 0.59 -3.33 0.00 0.00 175.10 173.16 2qxh n ASN 101 N -0.84 -2.89 -3.83 3.54 3.02 -1.26 -2.76 115.26 110.24 2qxh n ASN 101 Ca 0.09 -0.73 -0.42 0.00 -0.03 0.00 0.00 54.58 53.49 2qxh n ASN 101 Cb 0.50 -4.37 0.00 0.00 -0.61 0.00 0.00 39.78 35.30 2qxh n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2qxh n ASP 102 N -3.02 4.00 -3.85 6.41 2.03 -1.17 -4.15 116.55 116.80 2qxh n ASP 102 Ca -0.18 -2.85 -0.12 0.00 0.52 0.00 0.00 54.79 52.17 2qxh n ASP 102 Cb 0.63 -1.67 -0.10 0.00 -0.72 0.00 0.00 41.12 39.26 2qxh n ASP 102 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2qxh s LEU 103 N 2.43 1.43 -0.03 -2.67 2.34 -1.26 -3.51 118.68 117.41 2qxh s LEU 103 Ca 0.48 -0.15 -0.14 0.00 0.06 0.00 0.00 54.13 54.38 2qxh s LEU 103 Cb 0.13 0.77 0.02 0.00 -0.56 0.00 0.00 46.19 46.56 2qxh s LEU 103 CO -0.07 -0.38 0.31 -0.32 -1.06 0.00 0.00 176.35 174.83 2qxh s MET 104 N -1.35 0.62 -0.15 1.48 1.75 0.94 -1.50 119.30 121.10 2qxh s MET 104 Ca -0.14 -0.10 -0.03 0.00 -1.25 0.00 0.00 55.69 54.17 2qxh s MET 104 Cb -0.07 0.28 -0.03 0.00 2.84 0.00 0.00 34.83 37.85 2qxh s MET 104 CO 0.02 -0.16 -0.05 -0.51 -0.65 0.00 0.00 175.02 173.67 2qxh s LEU 105 N -1.10 3.17 -0.19 4.11 1.43 -0.49 -1.10 118.68 124.51 2qxh s LEU 105 Ca -0.12 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 52.81 2qxh s LEU 105 Cb -0.05 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 2qxh s LEU 105 CO 0.04 0.18 -0.07 -0.69 0.23 0.00 0.00 176.35 176.04 2qxh s VAL 106 N 0.29 3.28 -0.21 -1.59 1.01 0.47 -0.08 120.40 123.56 2qxh s VAL 106 Ca -0.04 -0.54 -0.20 0.00 0.00 0.00 0.00 61.98 61.19 2qxh s VAL 106 Cb -0.14 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 2qxh s VAL 106 CO 0.03 0.46 0.61 -0.75 0.00 0.00 0.00 175.10 175.46 2qxh s LYS 107 N 1.11 4.19 0.38 2.72 2.47 0.21 -1.05 119.74 129.77 2qxh s LYS 107 Ca 0.01 0.57 -0.25 0.00 -1.56 0.00 0.00 55.97 54.74 2qxh s LYS 107 Cb -0.15 -3.59 -0.09 0.00 -1.46 0.00 0.00 37.83 32.55 2qxh s LYS 107 CO -0.01 -0.26 1.08 -0.51 0.16 0.00 0.00 175.35 175.81 2qxh s LEU 108 N 1.99 4.22 0.36 5.43 1.43 -0.03 -3.88 118.68 128.21 2qxh s LEU 108 Ca 0.28 2.14 0.15 0.00 -1.03 0.00 0.00 54.13 55.67 2qxh s LEU 108 Cb -0.16 -4.05 0.68 0.00 0.03 0.00 0.00 46.19 42.69 2qxh s LEU 108 CO 0.10 -0.47 1.77 0.78 0.23 0.00 0.00 176.35 178.75 2qxh h ASN 109 N 2.76 0.00 -4.67 2.29 2.35 -1.36 -3.44 115.58 113.51 2qxh h ASN 109 Ca -0.48 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.02 2qxh h ASN 109 Cb 1.22 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 39.41 2qxh h ASN 109 CO 0.63 0.42 -0.71 -0.94 -1.65 0.00 0.00 177.43 175.18 2qxh s SER 110 N -6.71 1.04 0.36 5.81 1.04 -1.26 -5.10 113.70 108.88 2qxh s SER 110 Ca -0.02 -0.82 -0.26 0.00 0.48 0.00 0.00 55.95 55.33 2qxh s SER 110 Cb 0.13 0.07 -0.09 0.00 0.10 0.00 0.00 66.02 66.23 2qxh s SER 110 CO 0.71 -0.36 1.12 0.00 0.98 0.00 0.00 173.24 175.70 2qxh s GLN 111 N -2.92 4.28 0.45 4.02 -2.07 -1.26 -4.87 119.66 117.29 2qxh s GLN 111 Ca 0.03 1.76 -0.22 0.00 -1.82 0.00 0.00 55.36 55.11 2qxh s GLN 111 Cb -0.01 -2.82 -0.08 0.00 -1.09 0.00 0.00 33.01 29.01 2qxh s GLN 111 CO -0.03 -0.10 1.07 0.00 -1.32 0.00 0.00 175.29 174.91 2qxh s ALA 112 N -1.39 2.95 -0.35 2.60 0.00 0.66 -5.00 121.76 121.24 2qxh s ALA 112 Ca 0.53 0.71 -0.22 0.00 0.00 0.00 0.00 51.96 52.98 2qxh s ALA 112 Cb -0.29 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2qxh s ALA 112 CO 0.37 -0.36 0.71 1.03 0.00 0.00 0.00 175.76 177.51 2qxh s ARG 113 N -2.88 3.75 0.37 0.00 0.52 -1.26 -4.83 118.95 114.61 2qxh s ARG 113 Ca 0.64 0.22 -0.20 0.00 -0.52 0.00 0.00 55.73 55.87 2qxh s ARG 113 Cb -0.21 -3.80 -0.10 0.00 0.52 0.00 0.00 34.95 31.37 2qxh s ARG 113 CO 0.25 -0.76 0.88 -0.51 0.02 0.00 0.00 175.30 175.18 2qxh s LEU 114 N 2.88 4.07 0.00 2.53 1.43 -1.26 -4.77 118.68 123.56 2qxh s LEU 114 Ca 0.28 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 2qxh s LEU 114 Cb -0.14 -4.26 0.00 0.00 0.03 0.00 0.00 46.19 41.82 2qxh s LEU 114 CO 0.15 -0.24 0.00 -1.54 0.23 0.00 0.00 176.35 174.95 2qxh n SER 115 N -0.26 0.00 0.27 2.29 3.41 -0.36 -4.93 113.62 114.05 2qxh n SER 115 Ca 0.05 -0.75 0.18 0.00 -0.26 0.00 0.00 58.87 58.08 2qxh n SER 115 Cb 0.53 0.00 0.81 0.00 -0.26 0.00 0.00 64.21 65.29 2qxh n SER 115 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2qxh h SER 116 N 0.00 0.00 -0.14 4.04 4.64 -2.01 -2.87 113.55 117.21 2qxh h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qxh h SER 116 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qxh h SER 116 CO 0.00 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.19 2qxh n MET 117 N -2.96 1.51 -3.61 4.77 2.81 -1.26 -4.85 117.12 113.53 2qxh n MET 117 Ca -0.00 -1.46 -0.28 0.00 -1.81 0.00 0.00 57.70 54.14 2qxh n MET 117 Cb 0.22 -1.19 -0.16 0.00 -0.71 0.00 0.00 33.22 31.38 2qxh n MET 117 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2qxh s VAL 118 N -0.86 0.09 0.10 2.03 1.01 -1.08 -3.86 120.40 117.83 2qxh s VAL 118 Ca 0.14 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.54 2qxh s VAL 118 Cb 0.08 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 2qxh s VAL 118 CO 0.12 -0.52 -0.08 -0.54 0.00 0.00 0.00 175.10 174.08 2qxh s LYS 119 N 2.03 0.82 0.27 2.72 1.02 -0.70 -1.23 119.74 124.68 2qxh s LYS 119 Ca 0.06 -1.22 -0.30 0.00 0.02 0.00 0.00 55.97 54.53 2qxh s LYS 119 Cb -0.16 -0.37 -0.09 0.00 -0.52 0.00 0.00 37.83 36.68 2qxh s LYS 119 CO -0.23 0.03 1.08 0.15 -0.92 0.00 0.00 175.35 175.46 2qxh s LYS 120 N -3.20 4.67 0.64 1.68 1.02 -1.26 -3.59 119.74 119.70 2qxh s LYS 120 Ca 0.08 1.76 -0.13 0.00 0.02 0.00 0.00 55.97 57.70 2qxh s LYS 120 Cb 0.00 -3.20 -0.02 0.00 -0.52 0.00 0.00 37.83 34.09 2qxh s LYS 120 CO -0.02 0.25 1.05 0.54 -0.92 0.00 0.00 175.35 176.25 2qxh s VAL 121 N -1.14 4.05 -0.42 3.17 0.11 -0.02 -4.90 120.40 121.25 2qxh s VAL 121 Ca 0.44 0.79 -0.18 0.00 -2.93 0.00 0.00 61.98 60.10 2qxh s VAL 121 Cb -0.31 -3.46 0.02 0.00 -1.53 0.00 0.00 36.38 31.10 2qxh s VAL 121 CO 0.40 -0.75 0.50 -0.60 -3.33 0.00 0.00 175.10 171.32 2qxh s ARG 122 N -4.64 3.17 0.51 1.54 3.52 -1.26 -4.91 118.95 116.88 2qxh s ARG 122 Ca 0.60 -0.62 -0.20 0.00 -0.13 0.00 0.00 55.73 55.38 2qxh s ARG 122 Cb -0.14 -3.96 -0.07 0.00 -1.56 0.00 0.00 34.95 29.22 2qxh s ARG 122 CO 0.47 -0.89 1.06 -0.51 -0.81 0.00 0.00 175.30 174.62 2qxh s LEU 123 N 2.35 3.80 0.53 -0.88 1.43 -1.26 -1.46 118.68 123.19 2qxh s LEU 123 Ca 0.15 1.99 -0.16 0.00 -1.03 0.00 0.00 54.13 55.08 2qxh s LEU 123 Cb -0.16 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.42 2qxh s LEU 123 CO 0.15 -0.92 0.99 -2.16 0.23 0.00 0.00 176.35 174.64 2qxh s PRO 124 N -3.30 3.89 -0.01 1.29 0.04 -1.26 -4.78 135.00 130.88 2qxh s PRO 124 Ca 0.69 0.94 0.10 0.00 0.04 0.00 0.00 61.00 62.76 2qxh s PRO 124 Cb -0.18 -2.13 -0.14 0.00 0.04 0.00 0.00 34.50 32.09 2qxh s PRO 124 CO 0.23 -0.32 0.30 -1.13 0.04 0.00 0.00 177.00 176.12 2qxh n SER 125 N -1.72 1.81 -4.01 6.66 3.41 -1.26 -4.91 113.62 113.60 2qxh n SER 125 Ca 0.07 -0.29 -0.09 0.00 -0.26 0.00 0.00 58.87 58.29 2qxh n SER 125 Cb 0.54 1.28 -0.08 0.00 -0.26 0.00 0.00 64.21 65.69 2qxh n SER 125 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2qxh s ARG 127 N -2.39 1.05 -0.13 4.33 0.52 -1.26 -5.12 118.95 115.95 2qxh s ARG 127 Ca -0.01 -1.24 -0.14 0.00 -0.52 0.00 0.00 55.73 53.82 2qxh s ARG 127 Cb 0.07 0.33 -0.05 0.00 0.52 0.00 0.00 34.95 35.82 2qxh s ARG 127 CO 0.41 -0.36 0.33 0.00 0.02 0.00 0.00 175.30 175.70 2qxh s GLU 129 N 0.20 4.50 0.72 0.00 0.41 -1.26 -5.04 118.70 118.23 2qxh s GLU 129 Ca 0.19 1.50 -0.11 0.00 -0.41 0.00 0.00 54.97 56.14 2qxh s GLU 129 Cb -0.14 -2.85 0.02 0.00 -1.78 0.00 0.00 34.13 29.38 2qxh s GLU 129 CO 0.06 0.16 1.08 -1.25 -0.49 0.00 0.00 175.26 174.82 2qxh s PRO 130 N -1.96 2.72 0.48 0.39 0.04 -1.26 -4.98 135.00 130.43 2qxh s PRO 130 Ca 0.50 0.73 -0.23 0.00 0.04 0.00 0.00 61.00 62.04 2qxh s PRO 130 Cb -0.23 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 2qxh s PRO 130 CO 0.29 -1.19 1.07 -2.30 0.04 0.00 0.00 177.00 174.91 2qxh n PRO 132 N -3.16 1.37 0.00 0.56 -0.02 -1.26 -2.31 135.00 130.19 2qxh n PRO 132 Ca 0.07 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2qxh n PRO 132 Cb 0.55 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2qxh n PRO 132 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qxh n GLY 133 N 1.11 2.02 3.74 -1.23 0.00 0.15 -4.94 105.19 106.04 2qxh n GLY 133 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2qxh n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qxh s THR 134 N -2.32 2.86 -0.00 2.61 2.01 -0.98 -4.62 115.64 115.20 2qxh s THR 134 Ca 0.00 0.70 -0.27 0.00 0.31 0.00 0.00 61.69 62.43 2qxh s THR 134 Cb 0.00 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 2qxh s THR 134 CO 0.00 0.10 0.84 -0.89 -0.69 0.00 0.00 174.62 173.98 2qxh s THR 135 N 0.24 4.86 0.32 -0.82 2.01 -1.26 -1.23 115.64 119.76 2qxh s THR 135 Ca 0.60 1.77 0.03 0.00 0.31 0.00 0.00 61.69 64.40 2qxh s THR 135 Cb -0.40 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 67.88 2qxh s THR 135 CO 0.39 0.25 0.14 0.00 -0.69 0.00 0.00 174.62 174.71 2qxh s THR 137 N -3.52 1.06 -0.02 0.00 2.01 0.07 -1.01 115.64 114.23 2qxh s THR 137 Ca 0.34 -0.45 0.06 0.00 0.31 0.00 0.00 61.69 61.95 2qxh s THR 137 Cb 0.05 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.57 2qxh s THR 137 CO 0.17 0.33 -0.21 0.54 -0.69 0.00 0.00 174.62 174.76 2qxh s VAL 138 N 0.58 2.51 0.13 3.82 0.11 -0.85 -0.46 120.40 126.23 2qxh s VAL 138 Ca -0.12 -1.00 0.03 0.00 -2.93 0.00 0.00 61.98 57.96 2qxh s VAL 138 Cb -0.15 -1.94 -0.04 0.00 -1.53 0.00 0.00 36.38 32.72 2qxh s VAL 138 CO 0.03 0.54 -0.07 -0.94 -3.33 0.00 0.00 175.10 171.32 2qxh s SER 139 N -0.80 1.45 0.00 3.54 1.04 -1.06 -2.34 113.70 115.53 2qxh s SER 139 Ca 0.11 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.52 2qxh s SER 139 Cb -0.10 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.07 2qxh s SER 139 CO 0.00 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.42 2qxh n GLY 140 N -0.13 1.23 1.15 7.32 0.00 -0.56 -4.27 105.19 109.92 2qxh n GLY 140 Ca -0.11 -0.95 0.08 0.00 0.00 0.00 0.00 46.02 45.04 2qxh n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2qxh n TRP 141 N -0.50 1.14 -0.56 1.61 8.01 -1.26 -1.35 117.44 124.52 2qxh n TRP 141 Ca 0.00 -0.71 -0.30 0.00 -1.31 0.00 0.00 57.50 55.18 2qxh n TRP 141 Cb 0.00 -0.27 0.27 0.00 -2.01 0.00 0.00 31.31 29.30 2qxh n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2qxh s GLY 142 N -1.33 1.48 0.43 6.99 0.00 -1.26 -4.31 107.32 109.32 2qxh s GLY 142 Ca 0.42 -0.61 -0.25 0.00 0.00 0.00 0.00 44.72 44.28 2qxh s GLY 142 CO 0.15 0.28 1.35 -1.08 0.00 0.00 0.00 173.10 173.80 2qxh s THR 143 N -2.46 2.39 -2.72 0.90 -1.32 -0.53 -3.38 115.64 108.52 2qxh s THR 143 Ca 0.69 0.34 0.25 0.00 -1.21 0.00 0.00 61.69 61.76 2qxh s THR 143 Cb -0.17 -3.20 0.23 0.00 -1.51 0.00 0.00 72.50 67.86 2qxh s THR 143 CO 0.60 0.04 1.34 0.35 -2.21 0.00 0.00 174.62 174.74 2qxh n THR 144 N -0.10 0.00 -4.13 5.08 -2.24 0.02 -1.74 114.28 111.17 2qxh n THR 144 Ca 0.05 -0.40 -0.10 0.00 -2.27 0.00 0.00 64.05 61.32 2qxh n THR 144 Cb 0.43 1.23 -0.10 0.00 -2.10 0.00 0.00 70.33 69.79 2qxh n THR 144 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2qxh s THR 145 N -2.09 0.56 -0.27 4.28 -4.23 -1.26 -4.40 115.64 108.23 2qxh s THR 145 Ca 0.28 -1.70 -0.25 0.00 -1.18 0.00 0.00 61.69 58.85 2qxh s THR 145 Cb 0.20 -1.38 0.07 0.00 1.34 0.00 0.00 72.50 72.74 2qxh s THR 145 CO 0.35 -0.78 0.74 -0.55 -0.54 0.00 0.00 174.62 173.84 2qxh s SER 146 N -2.66 -0.74 0.44 3.99 0.15 -1.26 -4.31 113.70 109.32 2qxh s SER 146 Ca 0.05 1.42 0.24 0.00 0.70 0.00 0.00 55.95 58.36 2qxh s SER 146 Cb 0.02 1.44 0.91 0.00 -1.71 0.00 0.00 66.02 66.68 2qxh s SER 146 CO -0.04 -0.24 1.82 1.55 1.20 0.00 0.00 173.24 177.53 2qxh h PRO 147 N 4.98 0.00 -6.44 5.44 0.13 -1.95 -3.43 132.00 130.73 2qxh h PRO 147 Ca -0.29 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.30 2qxh h PRO 147 Cb 1.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.31 2qxh h PRO 147 CO 0.05 0.23 0.90 0.16 -0.23 0.00 0.00 178.00 179.11 2qxh s ASP 148 N -6.19 6.72 0.07 1.44 -4.77 -1.26 -4.97 116.67 107.70 2qxh s ASP 148 Ca 0.01 2.34 -0.19 0.00 -3.30 0.00 0.00 52.55 51.40 2qxh s ASP 148 Cb 0.10 -2.57 -0.07 0.00 -1.09 0.00 0.00 42.92 39.30 2qxh s ASP 148 CO 0.64 -0.80 0.55 0.68 0.70 0.00 0.00 175.17 176.94 2qxh s VAL 149 N 2.30 4.77 -0.20 2.11 -7.23 -1.26 -4.33 120.40 116.56 2qxh s VAL 149 Ca 0.69 1.18 -0.05 0.00 -1.81 0.00 0.00 61.98 61.99 2qxh s VAL 149 Cb -0.37 -3.88 0.07 0.00 0.56 0.00 0.00 36.38 32.77 2qxh s VAL 149 CO 0.30 0.56 0.11 -0.89 -0.31 0.00 0.00 175.10 174.87 2qxh s THR 150 N -1.11 -0.12 -0.24 5.32 2.01 -1.26 -4.96 115.64 115.29 2qxh s THR 150 Ca 0.28 -0.26 -0.14 0.00 0.31 0.00 0.00 61.69 61.88 2qxh s THR 150 Cb -0.19 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 2qxh s THR 150 CO 0.18 -0.35 0.34 -0.36 -0.69 0.00 0.00 174.62 173.75 2qxh s PHE 151 N 2.16 3.30 0.48 4.92 0.08 -1.26 -0.80 117.98 126.86 2qxh s PHE 151 Ca 0.04 0.45 -0.17 0.00 0.12 0.00 0.00 56.93 57.36 2qxh s PHE 151 Cb -0.16 -2.50 -0.09 0.00 -0.57 0.00 0.00 43.02 39.70 2qxh s PHE 151 CO -0.15 -0.10 0.96 -1.25 -0.10 0.00 0.00 175.22 174.59 2qxh s PRO 152 N 1.63 4.02 -0.02 0.24 0.04 -1.26 -4.99 135.00 134.65 2qxh s PRO 152 Ca 0.15 0.97 0.14 0.00 0.04 0.00 0.00 61.00 62.31 2qxh s PRO 152 Cb -0.15 -2.16 -0.20 0.00 0.04 0.00 0.00 34.50 32.02 2qxh s PRO 152 CO 0.08 -0.19 0.68 -1.13 0.04 0.00 0.00 177.00 176.49 2qxh n SER 153 N -1.30 0.83 -4.86 6.66 3.41 -1.26 -4.85 113.62 112.25 2qxh n SER 153 Ca 0.06 0.38 -0.37 0.00 -0.26 0.00 0.00 58.87 58.69 2qxh n SER 153 Cb 0.54 0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.49 2qxh n SER 153 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2qxh s ASP 154 N -5.96 6.64 0.15 4.04 -0.00 -1.26 -0.24 116.67 120.05 2qxh s ASP 154 Ca -0.04 0.77 -0.32 0.00 -0.00 0.00 0.00 52.55 52.95 2qxh s ASP 154 Cb 0.08 -2.18 -0.11 0.00 -0.00 0.00 0.00 42.92 40.71 2qxh s ASP 154 CO 0.82 0.33 1.78 -0.11 -0.00 0.00 0.00 175.17 177.99 2qxh n LEU 155 N 1.70 3.95 -4.87 1.23 7.94 0.40 -4.85 117.00 122.49 2qxh n LEU 155 Ca -0.15 1.02 -0.33 0.00 -1.11 0.00 0.00 56.01 55.45 2qxh n LEU 155 Cb 0.53 -1.54 -0.05 0.00 0.53 0.00 0.00 43.42 42.89 2qxh n LEU 155 CO 0.36 0.14 -0.18 -0.04 -1.11 0.00 0.00 177.39 176.56 2qxh s MET 156 N 2.09 3.32 0.11 1.96 -1.94 -0.46 -0.84 119.30 123.53 2qxh s MET 156 Ca 0.80 -0.41 0.05 0.00 -1.71 0.00 0.00 55.69 54.42 2qxh s MET 156 Cb -0.51 -3.01 -0.04 0.00 2.01 0.00 0.00 34.83 33.29 2qxh s MET 156 CO 0.36 0.65 -0.14 0.00 -0.01 0.00 0.00 175.02 175.88 2qxh s VAL 158 N -1.94 -0.00 -0.07 0.00 0.11 -0.99 -0.98 120.40 116.53 2qxh s VAL 158 Ca 0.06 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.95 2qxh s VAL 158 Cb -0.06 -0.82 -0.05 0.00 -1.53 0.00 0.00 36.38 33.92 2qxh s VAL 158 CO 0.02 0.00 0.42 -1.81 -3.33 0.00 0.00 175.10 170.41 2qxh s ASP 159 N 0.44 6.71 0.20 3.54 -0.00 -1.26 -2.01 116.67 124.29 2qxh s ASP 159 Ca -0.01 0.85 0.01 0.00 -0.00 0.00 0.00 52.55 53.39 2qxh s ASP 159 Cb -0.04 -2.26 -0.05 0.00 -0.00 0.00 0.00 42.92 40.57 2qxh s ASP 159 CO -0.01 0.17 0.06 0.68 -0.00 0.00 0.00 175.17 176.07 2qxh s VAL 160 N -0.21 0.45 0.01 -1.27 -7.23 -0.18 -4.85 120.40 107.12 2qxh s VAL 160 Ca 0.24 -1.98 0.07 0.00 -1.81 0.00 0.00 61.98 58.50 2qxh s VAL 160 Cb -0.16 -2.32 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 2qxh s VAL 160 CO 0.11 -0.26 -0.21 -0.54 -0.31 0.00 0.00 175.10 173.89 2qxh s LYS 161 N -4.01 2.12 0.30 4.82 1.02 -0.75 0.25 119.74 123.49 2qxh s LYS 161 Ca 0.30 -0.94 -0.29 0.00 0.02 0.00 0.00 55.97 55.07 2qxh s LYS 161 Cb 0.07 -2.15 -0.10 0.00 -0.52 0.00 0.00 37.83 35.13 2qxh s LYS 161 CO 0.08 0.56 1.37 -0.51 -0.92 0.00 0.00 175.35 175.93 2qxh s LEU 162 N -1.07 4.40 -0.08 3.17 1.43 -0.36 -1.59 118.68 124.58 2qxh s LEU 162 Ca 0.12 2.69 0.01 0.00 -1.03 0.00 0.00 54.13 55.93 2qxh s LEU 162 Cb -0.10 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 2qxh s LEU 162 CO 0.02 -0.63 -0.10 -0.63 0.23 0.00 0.00 176.35 175.25 2qxh s ILE 163 N -0.63 3.44 0.63 -0.59 1.01 0.09 0.31 121.20 125.45 2qxh s ILE 163 Ca 0.54 -0.57 -0.18 0.00 0.00 0.00 0.00 60.65 60.44 2qxh s ILE 163 Cb -0.41 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 2qxh s ILE 163 CO 0.49 0.58 1.20 -0.94 0.00 0.00 0.00 174.94 176.27 2qxh s SER 164 N -0.52 4.98 0.30 3.58 1.04 -1.26 -4.27 113.70 117.54 2qxh s SER 164 Ca 0.07 2.35 -0.01 0.00 0.48 0.00 0.00 55.95 58.83 2qxh s SER 164 Cb -0.12 -2.59 0.46 0.00 0.10 0.00 0.00 66.02 63.87 2qxh s SER 164 CO 0.02 -1.73 1.96 1.55 0.98 0.00 0.00 173.24 176.02 2qxh h PRO 165 N 0.56 1.07 -0.70 4.02 0.13 -1.96 -0.01 132.00 135.10 2qxh h PRO 165 Ca -0.50 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.55 2qxh h PRO 165 Cb 1.29 -0.24 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 2qxh h PRO 165 CO 0.54 0.71 0.35 -0.56 -0.23 0.00 0.00 178.00 178.81 2qxh h GLN 166 N 1.10 0.99 -0.01 0.86 -0.00 -2.00 0.70 115.11 116.75 2qxh h GLN 166 Ca 0.32 -0.13 -0.23 0.00 -0.00 0.00 0.00 58.65 58.62 2qxh h GLN 166 Cb -0.07 -0.19 0.00 0.00 -0.00 0.00 0.00 27.48 27.22 2qxh h GLN 166 CO -0.08 0.75 -0.93 -0.44 -0.00 0.00 0.00 178.83 178.14 2qxh h ASP 167 N 0.99 0.57 0.34 0.06 3.45 -1.72 -3.28 116.42 116.83 2qxh h ASP 167 Ca 0.25 -0.45 -0.18 0.00 0.43 0.00 0.00 57.03 57.08 2qxh h ASP 167 Cb 0.08 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.67 2qxh h ASP 167 CO -0.03 1.24 -0.75 0.00 -1.57 0.00 0.00 179.24 178.12 2qxh h THR 169 N 0.23 1.03 -0.03 0.00 2.02 -0.93 -0.79 112.91 114.44 2qxh h THR 169 Ca -0.03 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.07 2qxh h THR 169 Cb 1.33 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 68.50 2qxh h THR 169 CO 0.13 0.05 0.02 0.11 0.37 0.00 0.00 175.52 176.19 2qxh h LYS 170 N 0.25 0.00 0.00 6.66 1.57 -1.60 0.40 116.57 123.86 2qxh h LYS 170 Ca 0.08 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.65 2qxh h LYS 170 Cb 0.04 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2qxh h LYS 170 CO -0.02 0.00 -1.31 0.28 -0.57 0.00 0.00 179.45 177.84 2qxh n VAL 171 N -4.42 1.51 0.82 0.50 0.31 -0.39 -4.63 118.33 112.04 2qxh n VAL 171 Ca -0.02 -0.03 0.11 0.00 -0.01 0.00 0.00 64.34 64.39 2qxh n VAL 171 Cb 0.12 -2.09 0.10 0.00 -0.91 0.00 0.00 33.84 31.06 2qxh n VAL 171 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2qxh n TYR 172 N -4.44 0.13 0.00 3.52 4.01 -0.69 -5.02 117.16 114.67 2qxh n TYR 172 Ca -0.30 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 2qxh n TYR 172 Cb 0.63 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 2qxh n TYR 172 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2qxh n LYS 173 N -1.70 0.00 0.09 -0.72 5.02 0.14 -1.11 118.16 119.88 2qxh n LYS 173 Ca 0.04 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.40 2qxh n LYS 173 Cb 0.38 0.00 0.37 0.00 -0.02 0.00 0.00 35.03 35.75 2qxh n LYS 173 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2qxh n ASP 174 N 3.10 0.35 0.22 4.39 4.64 -1.26 -1.97 116.55 126.02 2qxh n ASP 174 Ca 0.00 0.64 0.10 0.00 -1.38 0.00 0.00 54.79 54.15 2qxh n ASP 174 Cb 0.00 -0.70 0.41 0.00 -1.04 0.00 0.00 41.12 39.80 2qxh n ASP 174 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 2qxh h LEU 175 N 0.00 0.00 -9.59 -2.67 3.38 -1.53 -3.44 115.31 101.46 2qxh h LEU 175 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2qxh h LEU 175 Cb 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2qxh h LEU 175 CO 0.00 0.23 0.24 -0.76 0.09 0.00 0.00 178.44 178.24 2qxh s LEU 176 N -6.70 4.50 0.25 1.67 1.43 -0.83 -5.02 118.68 113.98 2qxh s LEU 176 Ca 0.01 1.63 0.11 0.00 -1.03 0.00 0.00 54.13 54.85 2qxh s LEU 176 Cb 0.10 -3.38 -0.05 0.00 0.03 0.00 0.00 46.19 42.88 2qxh s LEU 176 CO 0.64 0.03 -0.19 -1.61 0.23 0.00 0.00 176.35 175.45 2qxh s GLU 177 N -0.28 1.57 0.31 1.70 0.41 -1.26 -5.01 118.70 116.14 2qxh s GLU 177 Ca 0.41 -1.69 0.06 0.00 -0.41 0.00 0.00 54.97 53.34 2qxh s GLU 177 Cb -0.22 -1.62 0.75 0.00 -1.78 0.00 0.00 34.13 31.25 2qxh s GLU 177 CO 0.26 0.30 1.78 -0.91 -0.49 0.00 0.00 175.26 176.21 2qxh h ASN 178 N 2.46 0.78 -0.29 -0.19 4.21 -2.01 -2.06 115.58 118.48 2qxh h ASN 178 Ca -0.40 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.20 2qxh h ASN 178 Cb 1.24 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 2qxh h ASN 178 CO 0.59 0.28 0.00 -1.54 -1.29 0.00 0.00 177.43 175.47 2qxh n SER 179 N -4.75 2.31 -4.88 5.81 3.41 -1.26 -4.83 113.62 109.43 2qxh n SER 179 Ca 0.23 -2.18 -0.37 0.00 -0.26 0.00 0.00 58.87 56.29 2qxh n SER 179 Cb 0.57 -0.38 -0.06 0.00 -0.26 0.00 0.00 64.21 64.08 2qxh n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2qxh s MET 180 N -1.66 3.47 -0.10 4.33 -1.94 -0.78 -0.89 119.30 121.73 2qxh s MET 180 Ca 0.22 -0.12 0.04 0.00 -1.71 0.00 0.00 55.69 54.12 2qxh s MET 180 Cb 0.14 -3.18 0.00 0.00 2.01 0.00 0.00 34.83 33.81 2qxh s MET 180 CO 0.11 0.76 -0.22 -1.17 -0.01 0.00 0.00 175.02 174.48 2qxh s LEU 181 N -1.15 2.04 0.07 -0.03 2.96 0.23 -4.80 118.68 118.00 2qxh s LEU 181 Ca 0.17 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 2qxh s LEU 181 Cb -0.12 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 2qxh s LEU 181 CO 0.06 0.14 0.20 0.00 -1.32 0.00 0.00 176.35 175.43 2qxh s ALA 183 N -1.51 -1.78 0.00 0.00 0.00 -0.69 -0.73 121.76 117.04 2qxh s ALA 183 Ca 0.34 1.81 0.00 0.00 0.00 0.00 0.00 51.96 54.12 2qxh s ALA 183 Cb -0.13 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.15 2qxh s ALA 183 CO 0.27 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.10 2qxh n GLY 184 N 2.14 -1.24 3.08 0.00 0.00 -0.62 -1.08 105.19 107.46 2qxh n GLY 184 Ca -0.15 -0.87 -0.27 0.00 0.00 0.00 0.00 46.02 44.73 2qxh n GLY 184 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qxh s ILE 185 N -2.79 1.41 0.33 -0.61 -1.09 -1.26 -1.81 121.20 115.39 2qxh s ILE 185 Ca 0.00 -0.64 -0.28 0.00 -2.23 0.00 0.00 60.65 57.50 2qxh s ILE 185 Cb 0.00 -1.26 -0.13 0.00 -1.58 0.00 0.00 42.46 39.49 2qxh s ILE 185 CO 0.00 0.42 1.19 -0.81 -1.23 0.00 0.00 174.94 174.51 2qxh n PRO 186 N 3.74 1.84 -3.35 2.79 -0.04 -1.26 -2.15 135.00 136.57 2qxh n PRO 186 Ca -0.22 0.65 -0.24 0.00 -0.04 0.00 0.00 63.50 63.65 2qxh n PRO 186 Cb 0.52 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 2qxh n PRO 186 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2qxh n ASP 186 N 0.87 -4.17 -4.18 3.54 8.00 -1.26 -4.95 116.55 114.41 2qxh n ASP 186 Ca 0.06 -0.40 -0.18 0.00 0.71 0.00 0.00 54.79 54.98 2qxh n ASP 186 Cb 0.35 -3.42 -0.12 0.00 -0.02 0.00 0.00 41.12 37.91 2qxh n ASP 186 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2qxh s SER 186 N -2.76 1.69 0.09 -2.24 0.15 -0.91 -4.92 113.70 104.80 2qxh s SER 186 Ca 0.40 -0.64 0.25 0.00 0.70 0.00 0.00 55.95 56.66 2qxh s SER 186 Cb -0.21 -0.05 0.55 0.00 -1.71 0.00 0.00 66.02 64.60 2qxh s SER 186 CO 0.50 -0.09 1.48 0.29 1.20 0.00 0.00 173.24 176.61 2qxh n LYS 187 N 1.19 0.19 -1.63 5.44 5.02 -1.26 -4.02 118.16 123.09 2qxh n LYS 187 Ca -0.21 0.08 -0.53 0.00 -2.02 0.00 0.00 58.31 55.63 2qxh n LYS 187 Cb 0.54 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 33.85 2qxh n LYS 187 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qxh n LYS 188 N -1.93 1.41 -3.92 1.97 5.02 -1.26 -4.27 118.16 115.19 2qxh n LYS 188 Ca 0.05 0.49 -0.00 0.00 -2.02 0.00 0.00 58.31 56.82 2qxh n LYS 188 Cb 0.40 -2.35 0.01 0.00 -0.02 0.00 0.00 35.03 33.07 2qxh n LYS 188 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2qxh s ASN 189 N 4.80 -0.00 0.46 4.39 3.04 -1.09 -4.57 114.94 121.98 2qxh s ASN 189 Ca 1.00 -0.42 0.01 0.00 0.04 0.00 0.00 52.86 53.49 2qxh s ASN 189 Cb -0.91 0.32 0.00 0.00 -1.54 0.00 0.00 41.25 39.12 2qxh s ASN 189 CO 0.57 -0.63 0.68 0.00 -3.04 0.00 0.00 177.10 174.68 2qxh s ALA 190 N -2.13 3.83 0.15 1.71 0.00 -1.26 0.13 121.76 124.19 2qxh s ALA 190 Ca 0.25 -1.15 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 2qxh s ALA 190 Cb -0.01 -2.09 0.01 0.00 0.00 0.00 0.00 23.12 21.03 2qxh s ALA 190 CO 0.02 -0.43 0.24 0.00 0.00 0.00 0.00 175.76 175.60 2qxh n ASN 192 N -1.67 2.27 0.00 0.00 3.02 -1.26 -1.46 115.26 116.16 2qxh n ASN 192 Ca -0.01 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.67 2qxh n ASN 192 Cb 0.24 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.07 2qxh n ASN 192 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qxh n GLY 193 N 2.32 2.02 0.05 7.41 0.00 -1.26 -1.45 105.19 114.28 2qxh n GLY 193 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 2qxh n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qxh n ASP 194 N 0.00 0.65 -4.49 1.61 10.43 -0.53 -3.39 116.55 120.83 2qxh n ASP 194 Ca 0.00 -0.00 -0.41 0.00 2.57 0.00 0.00 54.79 56.94 2qxh n ASP 194 Cb 0.00 0.32 0.01 0.00 1.84 0.00 0.00 41.12 43.29 2qxh n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2qxh n SER 195 N -1.99 -0.34 0.00 -2.24 7.64 -1.26 -1.21 113.62 114.21 2qxh n SER 195 Ca 0.03 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.85 2qxh n SER 195 Cb 0.42 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 2qxh n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qxh n GLY 196 N 1.63 2.91 3.75 0.23 0.00 0.12 0.53 105.19 114.36 2qxh n GLY 196 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 2qxh n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qxh s GLY 197 N -1.75 2.06 0.29 -0.02 0.00 -0.35 -3.30 107.32 104.25 2qxh s GLY 197 Ca 0.00 0.57 -0.28 0.00 0.00 0.00 0.00 44.72 45.01 2qxh s GLY 197 CO 0.00 0.94 1.01 2.56 0.00 0.00 0.00 173.10 177.61 2qxh s PRO 198 N -4.27 4.64 -0.30 2.90 0.04 -1.26 -1.10 135.00 135.65 2qxh s PRO 198 Ca 0.67 1.57 0.03 0.00 0.04 0.00 0.00 61.00 63.31 2qxh s PRO 198 Cb -0.22 -3.06 0.08 0.00 0.04 0.00 0.00 34.50 31.34 2qxh s PRO 198 CO 0.47 0.28 -0.00 -1.17 0.04 0.00 0.00 177.00 176.62 2qxh s LEU 199 N -1.62 3.88 -0.13 -3.56 2.96 -0.39 -2.56 118.68 117.26 2qxh s LEU 199 Ca 0.46 -1.77 -0.04 0.00 -0.22 0.00 0.00 54.13 52.56 2qxh s LEU 199 Cb -0.26 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 2qxh s LEU 199 CO 0.33 -0.31 0.02 0.68 -1.32 0.00 0.00 176.35 175.75 2qxh s VAL 200 N 1.09 4.40 -0.09 1.68 -7.23 0.39 -1.11 120.40 119.52 2qxh s VAL 200 Ca 0.03 -0.19 -0.00 0.00 -1.81 0.00 0.00 61.98 60.00 2qxh s VAL 200 Cb -0.19 -2.91 0.02 0.00 0.56 0.00 0.00 36.38 33.87 2qxh s VAL 200 CO -0.08 0.54 -0.06 0.00 -0.31 0.00 0.00 175.10 175.19 2qxh n ARG 202 N 4.80 -3.26 -0.00 0.00 1.74 -1.26 -2.45 116.66 116.23 2qxh n ARG 202 Ca -0.13 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 2qxh n ARG 202 Cb 0.50 -4.92 0.00 0.00 -1.02 0.00 0.00 32.46 27.02 2qxh n ARG 202 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qxh n GLY 203 N -1.61 0.52 3.30 -0.13 0.00 -1.26 -5.07 105.19 100.94 2qxh n GLY 203 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 2qxh n GLY 203 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qxh s THR 208 N -2.18 1.45 -0.45 2.61 -4.23 -1.02 -4.70 115.64 107.12 2qxh s THR 208 Ca 0.00 -2.13 -0.29 0.00 -1.18 0.00 0.00 61.69 58.09 2qxh s THR 208 Cb 0.00 -1.97 0.03 0.00 1.34 0.00 0.00 72.50 71.90 2qxh s THR 208 CO 0.00 -0.65 1.15 -0.22 -0.54 0.00 0.00 174.62 174.35 2qxh s LEU 209 N -3.25 3.67 -0.03 4.79 2.96 -0.53 -1.53 118.68 124.76 2qxh s LEU 209 Ca 0.20 0.57 0.20 0.00 -0.22 0.00 0.00 54.13 54.88 2qxh s LEU 209 Cb 0.01 -3.55 -0.31 0.00 0.50 0.00 0.00 46.19 42.85 2qxh s LEU 209 CO 0.04 -1.21 0.43 0.00 -1.32 0.00 0.00 176.35 174.28 2qxh n GLN 210 N 7.72 0.61 -3.75 1.98 1.13 -0.27 -4.05 117.38 120.76 2qxh n GLN 210 Ca 0.12 -0.18 -0.10 0.00 -1.94 0.00 0.00 57.00 54.91 2qxh n GLN 210 Cb 0.49 -1.47 -0.04 0.00 0.11 0.00 0.00 30.24 29.32 2qxh n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2qxh s GLY 211 N -4.31 -0.04 -0.07 1.08 0.00 -0.90 -2.21 107.32 100.86 2qxh s GLY 211 Ca -0.07 -0.28 0.03 0.00 0.00 0.00 0.00 44.72 44.40 2qxh s GLY 211 CO 0.83 -0.35 -0.17 1.08 0.00 0.00 0.00 173.10 174.48 2qxh s LEU 212 N -2.87 1.85 0.13 0.66 1.43 -0.98 -1.26 118.68 117.64 2qxh s LEU 212 Ca 0.09 -0.39 -0.33 0.00 -1.03 0.00 0.00 54.13 52.47 2qxh s LEU 212 Cb 0.00 -1.04 -0.12 0.00 0.03 0.00 0.00 46.19 45.05 2qxh s LEU 212 CO -0.04 0.11 1.72 0.52 0.23 0.00 0.00 176.35 178.89 2qxh n VAL 213 N 3.53 0.18 0.02 -1.59 0.31 -0.26 -1.09 118.33 119.43 2qxh n VAL 213 Ca -0.20 -0.03 -0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2qxh n VAL 213 Cb 0.52 -1.84 -0.00 0.00 -0.91 0.00 0.00 33.84 31.62 2qxh n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2qxh n SER 214 N 4.57 0.47 -3.19 4.52 2.88 -0.55 -0.70 113.62 121.62 2qxh n SER 214 Ca 0.18 0.06 -0.13 0.00 -1.33 0.00 0.00 58.87 57.65 2qxh n SER 214 Cb 0.32 -0.15 -0.03 0.00 -0.75 0.00 0.00 64.21 63.61 2qxh n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2qxh s TRP 215 N -1.42 0.81 0.00 0.66 1.48 -0.76 -4.89 118.94 114.82 2qxh s TRP 215 Ca -0.00 -1.15 0.00 0.00 -1.06 0.00 0.00 56.10 53.88 2qxh s TRP 215 Cb 0.00 0.15 0.00 0.00 -1.16 0.00 0.00 33.47 32.46 2qxh s TRP 215 CO 0.01 -1.24 0.00 0.41 -4.06 0.00 0.00 176.95 172.06 2qxh n GLY 216 N -0.55 1.46 3.97 3.67 0.00 -1.26 -0.24 105.19 112.24 2qxh n GLY 216 Ca -0.01 -0.78 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 2qxh n GLY 216 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qxh s THR 217 N -2.47 4.16 -0.05 2.61 -4.23 -1.26 -5.03 115.64 109.37 2qxh s THR 217 Ca 0.00 -0.81 0.03 0.00 -1.18 0.00 0.00 61.69 59.73 2qxh s THR 217 Cb 0.00 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.37 2qxh s THR 217 CO 0.00 -0.24 -0.14 0.12 -0.54 0.00 0.00 174.62 173.82 2qxh s PHE 218 N -2.30 1.54 0.91 3.99 5.36 -1.26 -3.49 117.98 122.73 2qxh s PHE 218 Ca 0.45 -0.49 -0.11 0.00 -0.96 0.00 0.00 56.93 55.83 2qxh s PHE 218 Cb -0.10 -1.07 0.14 0.00 -0.34 0.00 0.00 43.02 41.65 2qxh s PHE 218 CO 0.33 -0.21 1.11 -1.25 -1.46 0.00 0.00 175.22 173.75 2qxh s PRO 219 N 0.30 1.06 0.85 10.12 0.04 -1.26 -5.12 135.00 140.99 2qxh s PRO 219 Ca -0.08 1.31 -0.12 0.00 0.04 0.00 0.00 61.00 62.16 2qxh s PRO 219 Cb -0.13 -1.75 0.10 0.00 0.04 0.00 0.00 34.50 32.76 2qxh s PRO 219 CO 0.03 -2.52 1.10 0.00 0.04 0.00 0.00 177.00 175.64 2qxh n GLY 220 N -1.70 0.77 3.67 0.00 0.00 -1.26 -4.81 105.19 101.86 2qxh n GLY 220 Ca 0.07 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 2qxh n GLY 220 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qxh s GLN 221 N -3.39 4.26 0.23 1.61 -0.21 -1.26 -4.27 119.66 116.62 2qxh s GLN 221 Ca 0.00 1.64 -0.31 0.00 0.02 0.00 0.00 55.36 56.71 2qxh s GLN 221 Cb 0.00 -3.71 -0.14 0.00 1.00 0.00 0.00 33.01 30.16 2qxh s GLN 221 CO 0.00 -0.65 1.28 -2.30 -2.12 0.00 0.00 175.29 171.50 2qxh n PRO 222 N 6.29 1.69 -0.99 2.91 -0.02 -1.26 -1.83 135.00 141.80 2qxh n PRO 222 Ca 0.13 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2qxh n PRO 222 Cb 0.45 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 2qxh n PRO 222 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qxh n ASN 223 N 1.93 -3.42 -4.19 2.55 5.03 -1.26 -4.90 115.26 111.00 2qxh n ASN 223 Ca 0.12 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.17 2qxh n ASN 223 Cb 0.30 -1.25 -0.09 0.00 -1.02 0.00 0.00 39.78 37.72 2qxh n ASN 223 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2qxh s ASP 224 N -2.08 5.65 0.74 6.41 -0.00 -0.76 -5.02 116.67 121.60 2qxh s ASP 224 Ca 0.00 -2.13 -0.15 0.00 -0.00 0.00 0.00 52.55 50.27 2qxh s ASP 224 Cb 0.00 -1.98 0.02 0.00 -0.00 0.00 0.00 42.92 40.97 2qxh s ASP 224 CO 0.00 -0.62 1.06 -2.65 -0.00 0.00 0.00 175.17 172.97 2qxh n PRO 225 N 4.58 0.50 -3.03 8.23 -0.02 -1.26 -4.76 135.00 139.24 2qxh n PRO 225 Ca -0.03 0.23 -0.35 0.00 -2.02 0.00 0.00 63.50 61.33 2qxh n PRO 225 Cb 0.41 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 2qxh n PRO 225 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2qxh s GLY 226 N -1.73 2.54 -0.10 -1.23 0.00 -0.24 -4.67 107.32 101.88 2qxh s GLY 226 Ca 0.74 0.21 0.01 0.00 0.00 0.00 0.00 44.72 45.69 2qxh s GLY 226 CO 0.49 0.53 -0.14 0.14 0.00 0.00 0.00 173.10 174.12 2qxh s VAL 227 N -1.74 2.98 0.19 1.40 1.01 0.66 -1.70 120.40 123.21 2qxh s VAL 227 Ca 0.49 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.84 2qxh s VAL 227 Cb -0.14 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 2qxh s VAL 227 CO 0.19 0.55 -0.15 -0.31 0.00 0.00 0.00 175.10 175.38 2qxh s TYR 228 N 0.01 1.70 -0.18 5.22 1.51 0.16 -1.48 117.35 124.29 2qxh s TYR 228 Ca -0.04 -0.55 -0.27 0.00 -1.01 0.00 0.00 57.07 55.19 2qxh s TYR 228 Cb -0.14 -0.81 -0.00 0.00 -0.11 0.00 0.00 41.96 40.89 2qxh s TYR 228 CO 0.04 0.34 0.94 0.99 -1.11 0.00 0.00 175.55 176.75 2qxh s THR 229 N -2.75 4.79 -0.75 -0.71 2.01 -0.25 0.74 115.64 118.73 2qxh s THR 229 Ca 0.20 1.85 -0.26 0.00 0.31 0.00 0.00 61.69 63.79 2qxh s THR 229 Cb -0.02 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.27 2qxh s THR 229 CO 0.06 -0.06 1.53 -1.58 -0.69 0.00 0.00 174.62 173.88 2qxh s GLN 230 N 2.56 3.02 0.50 4.92 0.74 -0.07 -2.31 119.66 129.01 2qxh s GLN 230 Ca 0.42 -0.09 0.20 0.00 0.05 0.00 0.00 55.36 55.94 2qxh s GLN 230 Cb -0.16 -4.45 1.26 0.00 1.10 0.00 0.00 33.01 30.75 2qxh s GLN 230 CO 0.11 -2.43 2.01 0.28 -0.55 0.00 0.00 175.29 174.71 2qxh h VAL 231 N 6.48 0.83 0.00 1.34 2.07 -1.74 -2.11 116.25 123.12 2qxh h VAL 231 Ca -0.19 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2qxh h VAL 231 Cb 1.08 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2qxh h VAL 231 CO 1.27 0.02 0.00 0.00 0.02 0.00 0.00 177.57 178.89 2qxh n LYS 233 N -1.36 1.60 0.00 0.00 4.76 -0.79 -4.53 118.16 117.84 2qxh n LYS 233 Ca 0.04 -1.24 0.00 0.00 -2.87 0.00 0.00 58.31 54.24 2qxh n LYS 233 Cb 0.09 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 2qxh n LYS 233 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2qxh n PHE 234 N 0.40 0.00 -0.13 2.13 3.72 -0.33 -4.80 117.46 118.46 2qxh n PHE 234 Ca 0.10 -0.16 0.12 0.00 -0.05 0.00 0.00 57.45 57.46 2qxh n PHE 234 Cb 0.47 -0.02 0.48 0.00 -0.94 0.00 0.00 39.48 39.47 2qxh n PHE 234 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2qxh h THR 235 N 0.33 0.88 -0.37 4.37 1.35 -1.77 -1.23 112.91 116.48 2qxh h THR 235 Ca 0.00 -0.16 -0.04 0.00 -0.55 0.00 0.00 66.41 65.66 2qxh h THR 235 Cb 0.29 0.37 -0.01 0.00 -1.73 0.00 0.00 68.15 67.07 2qxh h THR 235 CO 0.00 0.09 0.07 0.50 -0.25 0.00 0.00 175.52 175.92 2qxh h LYS 236 N 0.47 0.60 -0.34 4.72 3.11 -1.92 -0.96 116.57 122.24 2qxh h LYS 236 Ca 0.31 -0.16 -0.06 0.00 -2.81 0.00 0.00 60.65 57.94 2qxh h LYS 236 Cb 0.60 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.74 2qxh h LYS 236 CO -0.10 0.66 -0.02 2.35 -2.81 0.00 0.00 179.45 179.53 2qxh h TRP 237 N 0.44 0.67 -0.20 1.91 7.01 -1.71 -1.44 115.95 122.63 2qxh h TRP 237 Ca 0.11 -0.12 0.03 0.00 2.11 0.00 0.00 58.89 61.02 2qxh h TRP 237 Cb 0.34 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.20 2qxh h TRP 237 CO 0.02 0.73 0.04 0.82 -2.79 0.00 0.00 178.44 177.27 2qxh h ILE 238 N 0.41 0.91 -0.20 2.65 2.04 -1.15 0.42 117.51 122.59 2qxh h ILE 238 Ca 0.09 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 2qxh h ILE 238 Cb 0.48 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2qxh h ILE 238 CO 0.02 0.02 0.05 -1.13 0.00 0.00 0.00 178.15 177.12 2qxh h ASN 239 N 0.13 0.31 -0.43 1.72 -0.73 -1.13 -2.50 115.58 112.94 2qxh h ASN 239 Ca 0.09 -0.23 -0.09 0.00 1.87 0.00 0.00 56.30 57.94 2qxh h ASN 239 Cb 0.08 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 2qxh h ASN 239 CO -0.12 0.45 -0.07 0.44 -0.37 0.00 0.00 177.43 177.77 2qxh h ASP 240 N 0.15 0.86 -0.56 1.15 3.32 -1.15 -2.07 116.42 118.12 2qxh h ASP 240 Ca 0.06 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 2qxh h ASP 240 Cb 0.27 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 2qxh h ASP 240 CO 0.00 0.96 0.23 0.74 -1.72 0.00 0.00 179.24 179.46 2qxh h THR 241 N 0.79 1.22 -0.55 0.35 2.02 -0.85 0.04 112.91 115.94 2qxh h THR 241 Ca 0.14 -0.68 -0.10 0.00 0.77 0.00 0.00 66.41 66.54 2qxh h THR 241 Cb 0.57 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 2qxh h THR 241 CO 0.04 0.26 -0.03 0.24 0.37 0.00 0.00 175.52 176.40 2qxh h MET 242 N 0.77 0.99 -0.52 6.66 2.86 -1.35 -2.46 114.93 121.89 2qxh h MET 242 Ca 0.19 -0.33 -0.03 0.00 -2.06 0.00 0.00 59.70 57.46 2qxh h MET 242 Cb 0.19 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 2qxh h MET 242 CO -0.02 1.01 0.19 -0.22 1.06 0.00 0.00 176.91 178.93 2qxh h LYS 243 N 0.87 0.75 -0.25 1.72 1.63 -1.05 -3.07 116.57 117.18 2qxh h LYS 243 Ca 0.15 -0.12 -0.02 0.00 -0.85 0.00 0.00 60.65 59.81 2qxh h LYS 243 Cb 0.58 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 2qxh h LYS 243 CO 0.03 0.64 0.08 -0.22 -3.45 0.00 0.00 179.45 176.53 2qxh h LYS 244 N 0.74 0.38 -1.84 1.90 3.64 -0.60 -2.70 116.57 118.09 2qxh h LYS 244 Ca 0.18 -0.08 -0.48 0.00 -1.27 0.00 0.00 60.65 58.99 2qxh h LYS 244 Cb 0.18 -0.06 -0.18 0.00 -0.41 0.00 0.00 32.23 31.77 2qxh h LYS 244 CO -0.01 0.46 0.45 0.72 -2.27 0.00 0.00 179.45 178.80 2qxh n HIS 245 N -4.75 1.73 -0.51 1.91 8.25 -0.96 -5.10 115.22 115.79 2qxh n HIS 245 Ca -0.03 -2.02 0.00 0.00 -0.26 0.00 0.00 57.72 55.41 2qxh n HIS 245 Cb 0.16 -1.28 0.00 0.00 1.12 0.00 0.00 29.99 29.99 2qxh n HIS 245 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85