#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qxj s ILE 17 N 0.00 5.39 -1.40 1.39 -1.09 0.11 -4.02 121.20 121.59 2qxj s ILE 17 Ca 0.00 0.29 -0.09 0.00 -2.23 0.00 0.00 60.65 58.63 2qxj s ILE 17 Cb 0.00 -3.50 0.01 0.00 -1.58 0.00 0.00 42.46 37.39 2qxj s ILE 17 CO 0.00 0.47 1.09 -0.67 -1.23 0.00 0.00 174.94 174.59 2qxj n ASP 18 N 3.18 -6.28 0.00 3.58 4.64 -1.26 -2.45 116.55 117.96 2qxj n ASP 18 Ca -0.16 -0.51 0.00 0.00 -1.38 0.00 0.00 54.79 52.74 2qxj n ASP 18 Cb 0.53 -4.96 0.00 0.00 -1.04 0.00 0.00 41.12 35.64 2qxj n ASP 18 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2qxj n GLY 19 N -1.92 4.48 3.27 0.27 0.00 -1.26 -4.77 105.19 105.25 2qxj n GLY 19 Ca -0.01 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 43.92 2qxj n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qxj s ALA 20 N -2.12 -0.65 0.21 4.61 0.00 -0.27 -4.95 121.76 118.58 2qxj s ALA 20 Ca 0.00 -0.20 -0.32 0.00 0.00 0.00 0.00 51.96 51.44 2qxj s ALA 20 Cb 0.00 0.53 -0.13 0.00 0.00 0.00 0.00 23.12 23.52 2qxj s ALA 20 CO 0.00 -0.54 1.59 -2.30 0.00 0.00 0.00 175.76 174.51 2qxj n PRO 21 N 0.04 2.38 -2.07 0.00 -0.02 -1.26 0.07 135.00 134.13 2qxj n PRO 21 Ca -0.16 0.85 -0.36 0.00 -2.02 0.00 0.00 63.50 61.81 2qxj n PRO 21 Cb 0.62 -2.63 0.03 0.00 -0.02 0.00 0.00 33.50 31.50 2qxj n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qxj s ALA 23 N -1.62 3.77 0.18 0.00 0.00 -1.26 -4.88 121.76 117.94 2qxj s ALA 23 Ca 0.76 1.37 -0.32 0.00 0.00 0.00 0.00 51.96 53.76 2qxj s ALA 23 Cb -0.29 -3.62 -0.16 0.00 0.00 0.00 0.00 23.12 19.05 2qxj s ALA 23 CO 0.32 -0.78 1.12 0.54 0.00 0.00 0.00 175.76 176.97 2qxj n ARG 24 N 3.87 1.09 -0.92 0.00 3.00 -1.26 -1.66 116.66 120.78 2qxj n ARG 24 Ca 0.13 0.39 0.00 0.00 -0.01 0.00 0.00 57.85 58.36 2qxj n ARG 24 Cb 0.39 -1.86 0.00 0.00 0.00 0.00 0.00 32.46 30.99 2qxj n ARG 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2qxj n GLY 25 N 1.94 0.38 0.25 -0.13 0.00 -1.26 -4.85 105.19 101.52 2qxj n GLY 25 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.31 2qxj n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qxj n SER 26 N -0.28 0.88 -3.17 1.61 3.41 -0.66 -4.31 113.62 111.10 2qxj n SER 26 Ca 0.00 -1.01 -0.21 0.00 -0.26 0.00 0.00 58.87 57.39 2qxj n SER 26 Cb 0.14 0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.05 2qxj n SER 26 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2qxj n HIS 27 N -0.52 0.78 0.37 7.33 8.25 -1.26 -4.93 115.22 125.25 2qxj n HIS 27 Ca 0.17 -3.80 0.13 0.00 -0.26 0.00 0.00 57.72 53.96 2qxj n HIS 27 Cb 0.30 -0.42 0.54 0.00 1.12 0.00 0.00 29.99 31.53 2qxj n HIS 27 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2qxj h PRO 28 N 3.33 0.00 -0.02 -0.41 0.13 -1.78 -2.83 132.00 130.42 2qxj h PRO 28 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2qxj h PRO 28 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2qxj h PRO 28 CO 0.55 0.00 -0.21 -2.67 -0.23 0.00 0.00 178.00 175.44 2qxj n TRP 29 N -2.45 0.00 -2.74 1.56 4.27 -1.24 -2.48 117.44 114.35 2qxj n TRP 29 Ca 0.02 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.22 2qxj n TRP 29 Cb 0.26 -0.03 -0.05 0.00 -1.36 0.00 0.00 31.31 30.13 2qxj n TRP 29 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 2qxj s GLN 30 N -2.28 4.72 0.30 -2.67 2.00 -1.07 -0.67 119.66 119.98 2qxj s GLN 30 Ca 0.26 1.45 0.03 0.00 -2.00 0.00 0.00 55.36 55.10 2qxj s GLN 30 Cb 0.19 -3.36 -0.05 0.00 0.80 0.00 0.00 33.01 30.59 2qxj s GLN 30 CO 0.45 0.26 0.09 0.14 -0.50 0.00 0.00 175.29 175.72 2qxj s VAL 31 N -0.16 0.79 0.01 1.34 -7.23 0.05 -4.62 120.40 110.57 2qxj s VAL 31 Ca 0.46 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.66 2qxj s VAL 31 Cb -0.24 -2.67 -0.01 0.00 0.56 0.00 0.00 36.38 34.02 2qxj s VAL 31 CO 0.30 0.00 -0.10 0.00 -0.31 0.00 0.00 175.10 174.99 2qxj s ALA 32 N -3.52 0.86 -0.25 1.32 0.00 -0.85 -1.90 121.76 117.42 2qxj s ALA 32 Ca 0.36 -0.52 -0.10 0.00 0.00 0.00 0.00 51.96 51.69 2qxj s ALA 32 Cb 0.08 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 2qxj s ALA 32 CO 0.15 0.19 0.16 -0.51 0.00 0.00 0.00 175.76 175.74 2qxj s LEU 33 N -0.51 4.01 0.12 0.00 1.43 0.24 -0.84 118.68 123.14 2qxj s LEU 33 Ca 0.02 0.04 0.09 0.00 -1.03 0.00 0.00 54.13 53.26 2qxj s LEU 33 Cb -0.05 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 2qxj s LEU 33 CO 0.00 0.03 -0.19 -0.76 0.23 0.00 0.00 176.35 175.66 2qxj s LEU 34 N 1.28 2.67 -0.99 1.79 1.43 -0.18 -0.17 118.68 124.50 2qxj s LEU 34 Ca 0.07 -0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 52.55 2qxj s LEU 34 Cb -0.14 -1.51 0.27 0.00 0.03 0.00 0.00 46.19 44.84 2qxj s LEU 34 CO 0.06 0.17 1.13 -0.24 0.23 0.00 0.00 176.35 177.71 2qxj n SER 35 N 0.74 5.33 0.00 2.29 2.88 -0.17 -2.32 113.62 122.38 2qxj n SER 35 Ca -0.15 -3.26 0.00 0.00 -1.33 0.00 0.00 58.87 54.13 2qxj n SER 35 Cb 0.53 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 2qxj n SER 35 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qxj n GLY 36 N 1.83 1.51 0.00 0.46 0.00 -1.26 -3.40 105.19 104.33 2qxj n GLY 36 Ca 0.25 -0.37 0.01 0.00 0.00 0.00 0.00 46.02 45.92 2qxj n GLY 36 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qxj n ASN 38 N 4.28 1.93 -4.74 1.61 4.05 -1.26 -4.91 115.26 116.22 2qxj n ASN 38 Ca 0.00 -0.32 -0.38 0.00 0.45 0.00 0.00 54.58 54.33 2qxj n ASN 38 Cb 0.00 1.04 -0.06 0.00 1.23 0.00 0.00 39.78 41.99 2qxj n ASN 38 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2qxj s GLN 39 N -1.60 4.26 0.31 1.20 -1.52 -1.22 -4.99 119.66 116.09 2qxj s GLN 39 Ca 0.00 0.37 -0.30 0.00 -1.95 0.00 0.00 55.36 53.49 2qxj s GLN 39 Cb 0.02 -3.40 -0.12 0.00 -0.22 0.00 0.00 33.01 29.29 2qxj s GLN 39 CO 0.09 0.26 1.51 -0.11 -0.25 0.00 0.00 175.29 176.79 2qxj n LEU 40 N 3.37 4.15 -0.02 2.90 7.94 -1.26 -1.00 117.00 133.08 2qxj n LEU 40 Ca -0.09 1.17 -0.04 0.00 -1.11 0.00 0.00 56.01 55.94 2qxj n LEU 40 Cb 0.52 -1.56 -0.01 0.00 0.53 0.00 0.00 43.42 42.89 2qxj n LEU 40 CO 0.42 -0.02 -0.62 1.57 -1.11 0.00 0.00 177.39 177.63 2qxj n HIS 41 N 1.59 0.00 -3.95 1.96 -0.00 0.75 -4.82 115.22 110.76 2qxj n HIS 41 Ca 0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.68 2qxj n HIS 41 Cb 0.36 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.99 30.21 2qxj n HIS 41 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2qxj n GLY 43 N -0.53 2.90 0.00 0.00 0.00 0.18 -0.59 105.19 107.16 2qxj n GLY 43 Ca -0.04 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.77 2qxj n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qxj n GLY 44 N 2.62 -0.31 3.11 -0.02 0.00 -0.80 -3.89 105.19 105.91 2qxj n GLY 44 Ca -0.01 -1.02 -0.21 0.00 0.00 0.00 0.00 46.02 44.79 2qxj n GLY 44 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qxj s VAL 45 N -2.00 1.05 -0.23 1.61 -7.23 -0.21 -0.77 120.40 112.62 2qxj s VAL 45 Ca 0.00 -0.77 -0.27 0.00 -1.81 0.00 0.00 61.98 59.13 2qxj s VAL 45 Cb 0.00 -0.92 0.00 0.00 0.56 0.00 0.00 36.38 36.03 2qxj s VAL 45 CO 0.00 0.14 0.93 -0.22 -0.31 0.00 0.00 175.10 175.64 2qxj s LEU 46 N -0.72 4.09 -0.16 1.32 2.96 0.15 -0.18 118.68 126.14 2qxj s LEU 46 Ca 0.03 1.21 -0.26 0.00 -0.22 0.00 0.00 54.13 54.90 2qxj s LEU 46 Cb -0.06 -3.36 -0.24 0.00 0.50 0.00 0.00 46.19 43.03 2qxj s LEU 46 CO 0.00 -0.59 0.56 0.58 -1.32 0.00 0.00 176.35 175.59 2qxj h VAL 47 N 5.43 1.44 -3.30 1.68 2.07 -0.11 -1.67 116.25 121.78 2qxj h VAL 47 Ca -0.21 -2.29 -0.14 0.00 0.82 0.00 0.00 66.70 64.87 2qxj h VAL 47 Cb 1.08 2.94 -0.03 0.00 -1.52 0.00 0.00 31.29 33.76 2qxj h VAL 47 CO 0.92 0.51 0.02 -0.46 0.02 0.00 0.00 177.57 178.59 2qxj n ASN 48 N -4.50 -1.44 0.31 0.57 0.23 -1.14 -4.15 115.26 105.14 2qxj n ASN 48 Ca -0.19 -2.45 0.07 0.00 -0.53 0.00 0.00 54.58 51.49 2qxj n ASN 48 Cb 0.58 2.52 0.40 0.00 -2.08 0.00 0.00 39.78 41.20 2qxj n ASN 48 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2qxj h GLU 49 N 0.00 0.00 0.00 -3.83 3.07 -1.96 -2.37 114.58 109.49 2qxj h GLU 49 Ca -0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 2qxj h GLU 49 Cb 0.99 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 2qxj h GLU 49 CO 0.32 0.00 0.00 2.89 -1.40 0.00 0.00 179.01 180.82 2qxj n ARG 50 N -2.60 -0.18 -4.95 2.33 1.85 -1.26 -1.16 116.66 110.69 2qxj n ARG 50 Ca -0.01 -0.20 -0.30 0.00 -1.00 0.00 0.00 57.85 56.34 2qxj n ARG 50 Cb 0.65 -0.68 -0.17 0.00 -1.05 0.00 0.00 32.46 31.21 2qxj n ARG 50 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 2qxj s TRP 51 N -0.03 2.22 -0.09 2.89 0.52 -0.89 -1.01 118.94 122.54 2qxj s TRP 51 Ca 0.00 -0.92 0.02 0.00 0.02 0.00 0.00 56.10 55.22 2qxj s TRP 51 Cb 0.00 -1.52 -0.02 0.00 -1.15 0.00 0.00 33.47 30.78 2qxj s TRP 51 CO 0.00 -0.40 -0.15 0.08 0.02 0.00 0.00 176.95 176.50 2qxj s VAL 52 N 0.52 2.93 -0.17 4.03 1.01 -0.81 0.67 120.40 128.57 2qxj s VAL 52 Ca -0.16 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 2qxj s VAL 52 Cb -0.17 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 2qxj s VAL 52 CO 0.06 0.55 0.02 -0.22 0.00 0.00 0.00 175.10 175.51 2qxj s LEU 53 N -0.10 3.56 0.00 3.92 2.96 0.75 -0.55 118.68 129.22 2qxj s LEU 53 Ca -0.02 -0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 53.87 2qxj s LEU 53 Cb -0.14 -1.88 0.00 0.00 0.50 0.00 0.00 46.19 44.67 2qxj s LEU 53 CO 0.04 0.17 0.16 1.07 -1.32 0.00 0.00 176.35 176.47 2qxj n THR 54 N 3.55 0.00 -2.84 3.68 5.66 0.32 -1.04 114.28 123.62 2qxj n THR 54 Ca -0.17 -0.63 -0.37 0.00 -3.05 0.00 0.00 64.05 59.84 2qxj n THR 54 Cb 0.52 0.38 -0.06 0.00 -1.55 0.00 0.00 70.33 69.62 2qxj n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qxj s ALA 55 N -2.02 3.24 0.41 1.79 0.00 -1.26 0.02 121.76 123.93 2qxj s ALA 55 Ca 0.10 0.46 0.14 0.00 0.00 0.00 0.00 51.96 52.66 2qxj s ALA 55 Cb -0.00 -3.12 0.86 0.00 0.00 0.00 0.00 23.12 20.86 2qxj s ALA 55 CO 0.07 0.20 1.90 0.00 0.00 0.00 0.00 175.76 177.94 2qxj h ALA 56 N 3.17 1.52 0.00 0.00 0.00 -1.70 -1.75 119.26 120.49 2qxj h ALA 56 Ca -0.47 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2qxj h ALA 56 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2qxj h ALA 56 CO 0.65 0.35 0.00 -2.39 0.00 0.00 0.00 179.25 177.86 2qxj n HIS 57 N -4.19 0.00 1.08 0.00 1.44 -1.26 -2.50 115.22 109.80 2qxj n HIS 57 Ca -0.02 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.81 2qxj n HIS 57 Cb 0.33 0.00 0.33 0.00 0.12 0.00 0.00 29.99 30.77 2qxj n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2qxj n LYS 59 N 0.71 1.00 -4.02 0.00 3.00 -1.04 -4.97 118.16 112.84 2qxj n LYS 59 Ca 0.17 0.35 -0.08 0.00 -0.00 0.00 0.00 58.31 58.76 2qxj n LYS 59 Cb 0.44 -1.64 -0.09 0.00 0.00 0.00 0.00 35.03 33.74 2qxj n LYS 59 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2qxj s MET 60 N -1.46 0.68 0.44 1.64 -1.94 -1.26 -5.04 119.30 112.36 2qxj s MET 60 Ca 0.60 -1.13 0.27 0.00 -1.71 0.00 0.00 55.69 53.72 2qxj s MET 60 Cb -0.74 0.25 0.78 0.00 2.01 0.00 0.00 34.83 37.13 2qxj s MET 60 CO 0.59 -0.16 1.76 -0.91 -0.01 0.00 0.00 175.02 176.29 2qxj h ASN 61 N 3.05 0.00 -3.25 3.03 -0.26 -1.95 -3.45 115.58 112.76 2qxj h ASN 61 Ca -0.34 0.00 0.04 0.00 -0.56 0.00 0.00 56.30 55.44 2qxj h ASN 61 Cb 1.16 0.00 -0.25 0.00 -1.06 0.00 0.00 38.32 38.17 2qxj h ASN 61 CO 0.63 0.00 0.34 -0.70 -1.06 0.00 0.00 177.43 176.64 2qxj s GLU 62 N -3.35 0.57 0.20 0.81 2.12 -1.26 -4.81 118.70 112.98 2qxj s GLU 62 Ca 0.05 0.75 0.11 0.00 0.36 0.00 0.00 54.97 56.24 2qxj s GLU 62 Cb 0.07 0.25 -0.04 0.00 0.26 0.00 0.00 34.13 34.67 2qxj s GLU 62 CO 0.60 -0.08 -0.21 0.71 -0.54 0.00 0.00 175.26 175.74 2qxj s TYR 63 N 0.55 2.35 -0.34 5.30 1.51 0.54 -4.91 117.35 122.34 2qxj s TYR 63 Ca -0.00 -0.34 0.04 0.00 -1.01 0.00 0.00 57.07 55.76 2qxj s TYR 63 Cb -0.05 -1.14 0.10 0.00 -0.11 0.00 0.00 41.96 40.76 2qxj s TYR 63 CO -0.07 0.53 0.05 0.99 -1.11 0.00 0.00 175.55 175.94 2qxj s THR 64 N -1.79 2.15 -0.16 -0.71 2.01 -0.98 -1.49 115.64 114.65 2qxj s THR 64 Ca 0.23 -2.25 -0.23 0.00 0.31 0.00 0.00 61.69 59.74 2qxj s THR 64 Cb -0.08 -2.59 -0.02 0.00 0.01 0.00 0.00 72.50 69.82 2qxj s THR 64 CO 0.11 -0.60 0.74 -0.69 -0.69 0.00 0.00 174.62 173.50 2qxj s VAL 65 N 0.97 4.95 -0.11 3.82 1.01 0.12 -1.02 120.40 130.15 2qxj s VAL 65 Ca 0.11 1.45 -0.17 0.00 0.00 0.00 0.00 61.98 63.37 2qxj s VAL 65 Cb -0.19 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 2qxj s VAL 65 CO -0.10 0.09 0.43 -2.28 0.00 0.00 0.00 175.10 173.24 2qxj s HIS 66 N 1.88 3.54 0.03 5.22 5.65 -0.02 -1.50 115.29 130.09 2qxj s HIS 66 Ca 0.35 0.85 -0.06 0.00 0.25 0.00 0.00 55.06 56.44 2qxj s HIS 66 Cb -0.16 -2.46 -0.01 0.00 -1.18 0.00 0.00 32.58 28.77 2qxj s HIS 66 CO 0.12 0.27 0.12 -0.51 -0.65 0.00 0.00 174.74 174.09 2qxj s LEU 67 N 0.29 1.69 0.00 8.88 1.02 -0.35 -2.00 118.68 128.20 2qxj s LEU 67 Ca 0.24 -0.47 0.00 0.00 0.02 0.00 0.00 54.13 53.92 2qxj s LEU 67 Cb -0.15 0.68 0.00 0.00 0.02 0.00 0.00 46.19 46.74 2qxj s LEU 67 CO 0.09 -0.50 0.00 0.61 0.02 0.00 0.00 176.35 176.57 2qxj n GLY 69 N 0.83 0.74 3.50 -3.19 0.00 -1.26 -0.33 105.19 105.48 2qxj n GLY 69 Ca -0.19 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 2qxj n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qxj s SER 70 N -2.40 -0.62 0.10 1.61 0.15 -1.26 -4.74 113.70 106.53 2qxj s SER 70 Ca 0.00 0.70 0.27 0.00 0.70 0.00 0.00 55.95 57.62 2qxj s SER 70 Cb 0.00 0.57 0.86 0.00 -1.71 0.00 0.00 66.02 65.74 2qxj s SER 70 CO 0.00 -0.57 1.73 0.47 1.20 0.00 0.00 173.24 176.06 2qxj n ASP 71 N 1.05 0.48 -4.35 5.45 8.00 -1.26 -4.70 116.55 121.21 2qxj n ASP 71 Ca -0.19 0.40 -0.36 0.00 0.71 0.00 0.00 54.79 55.35 2qxj n ASP 71 Cb 0.57 -0.44 -0.13 0.00 -0.02 0.00 0.00 41.12 41.09 2qxj n ASP 71 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2qxj s THR 72 N -3.06 3.69 0.12 -3.53 2.01 -1.26 -0.26 115.64 113.36 2qxj s THR 72 Ca 0.11 -0.44 -0.31 0.00 0.31 0.00 0.00 61.69 61.36 2qxj s THR 72 Cb 0.15 -2.73 -0.08 0.00 0.01 0.00 0.00 72.50 69.86 2qxj s THR 72 CO 0.60 0.35 1.39 -0.76 -0.69 0.00 0.00 174.62 175.51 2qxj s LEU 73 N 1.52 4.37 0.00 4.42 1.02 0.22 -2.19 118.68 128.04 2qxj s LEU 73 Ca 0.05 2.34 0.00 0.00 0.02 0.00 0.00 54.13 56.55 2qxj s LEU 73 Cb -0.15 -3.59 0.00 0.00 0.02 0.00 0.00 46.19 42.47 2qxj s LEU 73 CO -0.01 -0.65 0.00 0.61 0.02 0.00 0.00 176.35 176.32 2qxj n GLY 74 N 3.41 0.62 3.74 -3.19 0.00 -1.26 -4.92 105.19 103.58 2qxj n GLY 74 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2qxj n GLY 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qxj s ASP 75 N -2.86 6.45 0.42 1.61 -1.08 -0.93 -4.88 116.67 115.39 2qxj s ASP 75 Ca 0.00 2.84 0.17 0.00 -0.52 0.00 0.00 52.55 55.04 2qxj s ASP 75 Cb 0.00 -2.62 0.94 0.00 -1.46 0.00 0.00 42.92 39.78 2qxj s ASP 75 CO 0.00 -0.89 1.90 -0.09 0.52 0.00 0.00 175.17 176.61 2qxj h ARG 78 N 5.69 0.00 0.00 4.34 1.12 -1.96 -2.40 114.38 121.17 2qxj h ARG 78 Ca -0.45 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.42 2qxj h ARG 78 Cb 1.21 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.17 2qxj h ARG 78 CO 0.85 0.28 -0.07 0.00 -3.11 0.00 0.00 179.97 177.93 2qxj h ARG 79 N 0.00 0.00 -7.14 0.20 3.08 -1.97 -3.47 114.38 105.08 2qxj h ARG 79 Ca -0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 2qxj h ARG 79 Cb 0.56 0.00 0.13 0.00 0.08 0.00 0.00 29.97 30.74 2qxj h ARG 79 CO 0.04 0.00 0.43 0.00 -1.07 0.00 0.00 179.97 179.37 2qxj s ALA 80 N -3.13 2.34 -0.03 0.04 0.00 -0.91 -4.98 121.76 115.08 2qxj s ALA 80 Ca 0.09 0.93 -0.15 0.00 0.00 0.00 0.00 51.96 52.84 2qxj s ALA 80 Cb 0.11 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 2qxj s ALA 80 CO 0.62 -1.52 0.40 -0.65 0.00 0.00 0.00 175.76 174.61 2qxj s GLN 81 N -3.66 3.99 -0.32 0.00 -0.21 0.56 -4.94 119.66 115.07 2qxj s GLN 81 Ca 0.76 0.37 0.01 0.00 0.02 0.00 0.00 55.36 56.51 2qxj s GLN 81 Cb -0.30 -3.27 0.10 0.00 1.00 0.00 0.00 33.01 30.55 2qxj s GLN 81 CO 0.40 0.58 0.09 1.03 -2.12 0.00 0.00 175.29 175.27 2qxj s ARG 82 N -0.71 0.94 -0.09 2.91 0.52 -1.25 -1.22 118.95 120.06 2qxj s ARG 82 Ca 0.23 -1.33 -0.04 0.00 -0.52 0.00 0.00 55.73 54.08 2qxj s ARG 82 Cb -0.16 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 32.94 2qxj s ARG 82 CO 0.12 -0.98 0.07 0.42 0.02 0.00 0.00 175.30 174.95 2qxj s ILE 83 N 1.38 4.89 0.34 1.52 1.01 -0.56 -4.89 121.20 124.89 2qxj s ILE 83 Ca 0.10 -0.08 -0.21 0.00 0.00 0.00 0.00 60.65 60.46 2qxj s ILE 83 Cb -0.18 -3.12 -0.10 0.00 0.01 0.00 0.00 42.46 39.07 2qxj s ILE 83 CO -0.20 0.57 0.87 -1.59 0.00 0.00 0.00 174.94 174.59 2qxj s LYS 84 N -1.09 4.30 -0.04 2.79 -2.85 -1.26 -0.71 119.74 120.88 2qxj s LYS 84 Ca 0.16 1.06 -0.02 0.00 -1.00 0.00 0.00 55.97 56.17 2qxj s LYS 84 Cb -0.12 -2.53 0.03 0.00 -2.06 0.00 0.00 37.83 33.15 2qxj s LYS 84 CO 0.05 0.17 0.09 0.00 0.10 0.00 0.00 175.35 175.76 2qxj s ALA 85 N -1.86 -0.14 0.00 0.59 0.00 -0.56 -1.22 121.76 118.57 2qxj s ALA 85 Ca 0.54 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.91 2qxj s ALA 85 Cb -0.13 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.70 2qxj s ALA 85 CO 0.18 -0.10 0.00 0.43 0.00 0.00 0.00 175.76 176.27 2qxj n SER 86 N 3.79 1.60 -4.54 0.00 7.64 -1.26 -0.34 113.62 120.51 2qxj n SER 86 Ca -0.22 -0.14 -0.34 0.00 1.01 0.00 0.00 58.87 59.18 2qxj n SER 86 Cb 0.54 0.60 -0.11 0.00 -1.01 0.00 0.00 64.21 64.22 2qxj n SER 86 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2qxj s LYS 87 N -0.92 3.78 -0.00 1.43 1.02 -1.26 -4.83 119.74 118.97 2qxj s LYS 87 Ca 0.00 -0.45 0.02 0.00 0.02 0.00 0.00 55.97 55.56 2qxj s LYS 87 Cb 0.00 -3.10 -0.01 0.00 -0.52 0.00 0.00 37.83 34.20 2qxj s LYS 87 CO 0.00 0.18 -0.06 -1.54 -0.92 0.00 0.00 175.35 173.01 2qxj s SER 88 N 0.59 0.68 -0.31 2.83 1.04 -1.26 -0.76 113.70 116.51 2qxj s SER 88 Ca 0.01 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.31 2qxj s SER 88 Cb -0.14 -0.07 0.10 0.00 0.10 0.00 0.00 66.02 66.01 2qxj s SER 88 CO 0.02 0.05 0.07 -0.36 0.98 0.00 0.00 173.24 174.00 2qxj s PHE 89 N -0.22 2.27 0.48 5.02 0.08 0.20 -4.98 117.98 120.84 2qxj s PHE 89 Ca 0.01 -2.04 -0.18 0.00 0.12 0.00 0.00 56.93 54.85 2qxj s PHE 89 Cb -0.03 -2.00 -0.09 0.00 -0.57 0.00 0.00 43.02 40.34 2qxj s PHE 89 CO -0.00 -0.88 0.96 1.03 -0.10 0.00 0.00 175.22 176.23 2qxj s ARG 90 N 1.42 4.03 0.29 0.44 0.52 -1.26 -1.32 118.95 123.08 2qxj s ARG 90 Ca 0.09 0.98 -0.30 0.00 -0.52 0.00 0.00 55.73 55.97 2qxj s ARG 90 Cb -0.18 -2.17 -0.11 0.00 0.52 0.00 0.00 34.95 33.01 2qxj s ARG 90 CO -0.19 -0.17 1.62 -1.58 0.02 0.00 0.00 175.30 174.99 2qxj s HIS 91 N -2.46 2.73 0.67 -0.53 5.65 -0.94 -4.84 115.29 115.57 2qxj s HIS 91 Ca 0.59 0.73 0.39 0.00 0.25 0.00 0.00 55.06 57.03 2qxj s HIS 91 Cb -0.10 -4.10 2.13 0.00 -1.18 0.00 0.00 32.58 29.34 2qxj s HIS 91 CO 0.25 -3.72 2.21 -1.00 -0.65 0.00 0.00 174.74 171.83 2qxj h PRO 92 N 4.94 0.00 -0.40 2.88 0.13 -1.94 -1.47 132.00 136.14 2qxj h PRO 92 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2qxj h PRO 92 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2qxj h PRO 92 CO 0.80 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.98 2qxj n GLY 93 N -1.14 1.22 3.74 1.56 0.00 -1.26 -4.96 105.19 104.35 2qxj n GLY 93 Ca -0.03 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 2qxj n GLY 93 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qxj s TYR 94 N -1.48 2.95 -0.18 1.61 5.04 -0.56 -4.61 117.35 120.13 2qxj s TYR 94 Ca 0.35 0.85 -0.01 0.00 -2.44 0.00 0.00 57.07 55.82 2qxj s TYR 94 Cb 0.19 -3.92 0.00 0.00 0.35 0.00 0.00 41.96 38.58 2qxj s TYR 94 CO 0.26 -3.14 -0.13 0.45 -1.34 0.00 0.00 175.55 171.66 2qxj s SER 95 N 0.60 3.77 0.00 4.32 0.15 -1.04 -4.97 113.70 116.53 2qxj s SER 95 Ca 0.63 -0.48 0.25 0.00 0.70 0.00 0.00 55.95 57.05 2qxj s SER 95 Cb -0.44 -1.61 1.29 0.00 -1.71 0.00 0.00 66.02 63.55 2qxj s SER 95 CO 0.41 0.03 1.83 0.35 1.20 0.00 0.00 173.24 177.07 2qxj n THR 96 N 4.43 0.18 -0.12 6.45 -2.24 -1.26 0.63 114.28 122.35 2qxj n THR 96 Ca -0.19 0.05 -0.16 0.00 -2.27 0.00 0.00 64.05 61.47 2qxj n THR 96 Cb 0.51 -0.64 -0.13 0.00 -2.10 0.00 0.00 70.33 67.97 2qxj n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qxj n GLN 97 N -1.24 0.66 -0.00 -0.78 6.02 -1.26 -4.62 117.38 116.15 2qxj n GLN 97 Ca 0.13 0.11 0.03 0.00 -0.01 0.00 0.00 57.00 57.26 2qxj n GLN 97 Cb 0.18 -1.52 -0.04 0.00 1.02 0.00 0.00 30.24 29.88 2qxj n GLN 97 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2qxj n THR 98 N -3.13 0.00 -1.30 5.09 -2.24 -1.22 -5.00 114.28 106.48 2qxj n THR 98 Ca -0.43 -0.30 -0.10 0.00 -2.27 0.00 0.00 64.05 60.95 2qxj n THR 98 Cb 1.03 0.86 -0.04 0.00 -2.10 0.00 0.00 70.33 70.08 2qxj n THR 98 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2qxj n HIS 99 N -1.28 0.00 -1.76 4.78 8.25 0.21 -4.92 115.22 120.49 2qxj n HIS 99 Ca 0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.12 2qxj n HIS 99 Cb 0.12 -2.37 0.06 0.00 1.12 0.00 0.00 29.99 28.92 2qxj n HIS 99 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2qxj s VAL 100 N -2.11 2.61 -1.34 1.59 0.11 -1.25 -3.06 120.40 116.96 2qxj s VAL 100 Ca 0.00 0.33 -0.06 0.00 -2.93 0.00 0.00 61.98 59.33 2qxj s VAL 100 Cb 0.00 -2.99 0.02 0.00 -1.53 0.00 0.00 36.38 31.88 2qxj s VAL 100 CO 0.00 -0.13 1.00 0.59 -3.33 0.00 0.00 175.10 173.23 2qxj n ASN 101 N -2.13 -3.79 -3.89 3.54 3.02 -1.26 -2.50 115.26 108.25 2qxj n ASN 101 Ca 0.13 -0.67 -0.42 0.00 -0.03 0.00 0.00 54.58 53.59 2qxj n ASN 101 Cb 0.50 -4.64 -0.01 0.00 -0.61 0.00 0.00 39.78 35.02 2qxj n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2qxj n ASP 102 N -3.02 3.91 -3.82 6.41 2.03 -1.17 -4.22 116.55 116.66 2qxj n ASP 102 Ca -0.13 -2.84 -0.12 0.00 0.52 0.00 0.00 54.79 52.22 2qxj n ASP 102 Cb 0.61 -1.62 -0.09 0.00 -0.72 0.00 0.00 41.12 39.29 2qxj n ASP 102 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2qxj s LEU 103 N 2.65 1.22 -0.14 -2.67 2.34 -1.26 -3.49 118.68 117.32 2qxj s LEU 103 Ca 0.50 -0.07 -0.23 0.00 0.06 0.00 0.00 54.13 54.39 2qxj s LEU 103 Cb 0.12 0.96 0.06 0.00 -0.56 0.00 0.00 46.19 46.76 2qxj s LEU 103 CO -0.04 -0.41 0.58 -0.32 -1.06 0.00 0.00 176.35 175.10 2qxj s MET 104 N -1.37 0.80 -0.12 1.48 1.75 0.10 -2.22 119.30 119.73 2qxj s MET 104 Ca -0.14 0.51 -0.04 0.00 -1.25 0.00 0.00 55.69 54.76 2qxj s MET 104 Cb -0.06 0.38 -0.04 0.00 2.84 0.00 0.00 34.83 37.95 2qxj s MET 104 CO 0.03 -0.17 0.05 -0.51 -0.65 0.00 0.00 175.02 173.76 2qxj s LEU 105 N -0.38 3.81 -0.16 4.11 1.43 -0.43 -0.52 118.68 126.54 2qxj s LEU 105 Ca -0.05 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 2qxj s LEU 105 Cb -0.03 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.29 2qxj s LEU 105 CO 0.04 0.33 -0.20 -0.69 0.23 0.00 0.00 176.35 176.06 2qxj s VAL 106 N -0.55 2.13 -0.07 -1.59 1.01 0.29 0.61 120.40 122.23 2qxj s VAL 106 Ca 0.10 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 60.87 2qxj s VAL 106 Cb -0.12 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 2qxj s VAL 106 CO 0.02 0.54 0.92 -0.75 0.00 0.00 0.00 175.10 175.83 2qxj s LYS 107 N 1.06 4.46 -0.04 2.72 2.20 0.06 -1.92 119.74 128.27 2qxj s LYS 107 Ca -0.01 1.26 -0.30 0.00 -0.36 0.00 0.00 55.97 56.56 2qxj s LYS 107 Cb -0.14 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.65 2qxj s LYS 107 CO -0.07 -0.15 1.08 -0.51 -0.36 0.00 0.00 175.35 175.34 2qxj s LEU 108 N 1.46 4.31 0.21 5.43 1.43 -0.18 -4.19 118.68 127.14 2qxj s LEU 108 Ca 0.46 1.72 -0.10 0.00 -1.03 0.00 0.00 54.13 55.18 2qxj s LEU 108 Cb -0.19 -3.56 0.19 0.00 0.03 0.00 0.00 46.19 42.65 2qxj s LEU 108 CO 0.21 -0.44 1.86 0.78 0.23 0.00 0.00 176.35 178.99 2qxj h ASN 109 N 7.06 0.79 -1.96 2.29 4.21 -1.51 -3.43 115.58 123.02 2qxj h ASN 109 Ca -0.36 -0.01 -0.56 0.00 1.21 0.00 0.00 56.30 56.58 2qxj h ASN 109 Cb 1.18 -0.18 -0.09 0.00 -1.12 0.00 0.00 38.32 38.11 2qxj h ASN 109 CO 0.83 0.55 -0.59 -0.94 -1.29 0.00 0.00 177.43 175.99 2qxj s SER 110 N -5.80 4.46 0.71 5.81 1.04 -1.26 -5.07 113.70 113.58 2qxj s SER 110 Ca -0.13 -0.83 -0.15 0.00 0.48 0.00 0.00 55.95 55.32 2qxj s SER 110 Cb 0.15 -0.68 0.03 0.00 0.10 0.00 0.00 66.02 65.62 2qxj s SER 110 CO 0.77 -0.21 1.18 -1.10 0.98 0.00 0.00 173.24 174.87 2qxj s GLN 111 N -3.76 2.33 -0.32 4.02 -0.21 -1.26 -4.88 119.66 115.58 2qxj s GLN 111 Ca 0.35 1.68 -0.10 0.00 0.02 0.00 0.00 55.36 57.31 2qxj s GLN 111 Cb -0.02 -1.86 -0.01 0.00 1.00 0.00 0.00 33.01 32.11 2qxj s GLN 111 CO 0.21 -1.67 0.17 0.00 -2.12 0.00 0.00 175.29 171.88 2qxj s ALA 112 N -2.04 3.32 -0.56 6.09 0.00 -0.31 -5.04 121.76 123.22 2qxj s ALA 112 Ca 0.73 -1.40 -0.28 0.00 0.00 0.00 0.00 51.96 51.01 2qxj s ALA 112 Cb -0.27 -2.45 0.01 0.00 0.00 0.00 0.00 23.12 20.41 2qxj s ALA 112 CO 0.44 -0.94 1.43 1.03 0.00 0.00 0.00 175.76 177.71 2qxj s ARG 113 N 1.63 3.28 0.95 0.00 0.52 -1.26 -4.76 118.95 119.31 2qxj s ARG 113 Ca 0.05 0.46 -0.11 0.00 -0.52 0.00 0.00 55.73 55.60 2qxj s ARG 113 Cb -0.17 -4.13 0.16 0.00 0.52 0.00 0.00 34.95 31.33 2qxj s ARG 113 CO 0.07 -1.97 1.10 -0.51 0.02 0.00 0.00 175.30 174.01 2qxj s LEU 114 N 6.15 2.21 0.00 2.53 1.43 -1.26 -4.85 118.68 124.89 2qxj s LEU 114 Ca 0.53 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 2qxj s LEU 114 Cb -0.11 -4.10 0.00 0.00 0.03 0.00 0.00 46.19 42.01 2qxj s LEU 114 CO 0.25 -3.11 0.00 -1.54 0.23 0.00 0.00 176.35 172.18 2qxj n SER 115 N -4.22 0.00 0.07 2.29 3.41 -0.73 -4.91 113.62 109.53 2qxj n SER 115 Ca 0.08 -0.29 0.13 0.00 -0.26 0.00 0.00 58.87 58.53 2qxj n SER 115 Cb 0.54 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.96 2qxj n SER 115 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2qxj n SER 116 N -0.06 0.45 -0.23 4.04 3.41 -1.26 -3.18 113.62 116.80 2qxj n SER 116 Ca 0.00 0.56 0.03 0.00 -0.26 0.00 0.00 58.87 59.19 2qxj n SER 116 Cb 0.00 -0.67 0.04 0.00 -0.26 0.00 0.00 64.21 63.31 2qxj n SER 116 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2qxj n MET 117 N -1.94 0.65 -3.59 4.33 2.81 -1.26 -4.92 117.12 113.20 2qxj n MET 117 Ca 0.05 -1.08 -0.25 0.00 -1.81 0.00 0.00 57.70 54.61 2qxj n MET 117 Cb 0.34 -1.11 -0.16 0.00 -0.71 0.00 0.00 33.22 31.59 2qxj n MET 117 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2qxj s VAL 118 N -0.59 -0.12 0.07 2.03 1.01 -1.19 -3.99 120.40 117.61 2qxj s VAL 118 Ca 0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 61.84 2qxj s VAL 118 Cb 0.05 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 2qxj s VAL 118 CO 0.07 -0.31 -0.04 -0.54 0.00 0.00 0.00 175.10 174.28 2qxj s LYS 119 N 2.16 0.68 0.53 2.72 1.02 -1.04 -1.78 119.74 124.04 2qxj s LYS 119 Ca 0.03 -1.26 -0.20 0.00 0.02 0.00 0.00 55.97 54.56 2qxj s LYS 119 Cb -0.16 0.10 -0.06 0.00 -0.52 0.00 0.00 37.83 37.19 2qxj s LYS 119 CO -0.12 -0.09 1.18 0.15 -0.92 0.00 0.00 175.35 175.55 2qxj s LYS 120 N -3.90 3.35 0.31 1.68 1.02 -1.26 -3.67 119.74 117.27 2qxj s LYS 120 Ca 0.09 1.77 -0.09 0.00 0.02 0.00 0.00 55.97 57.75 2qxj s LYS 120 Cb 0.07 -2.12 -0.07 0.00 -0.52 0.00 0.00 37.83 35.19 2qxj s LYS 120 CO -0.08 -0.88 0.64 0.54 -0.92 0.00 0.00 175.35 174.64 2qxj s VAL 121 N -1.62 4.88 -0.43 3.17 0.11 -0.63 -4.85 120.40 121.03 2qxj s VAL 121 Ca 0.71 0.47 -0.22 0.00 -2.93 0.00 0.00 61.98 60.01 2qxj s VAL 121 Cb -0.28 -3.68 0.02 0.00 -1.53 0.00 0.00 36.38 30.91 2qxj s VAL 121 CO 0.33 -0.27 0.71 -0.60 -3.33 0.00 0.00 175.10 171.93 2qxj s ARG 122 N -3.31 3.38 0.54 1.54 3.52 -1.26 -4.92 118.95 118.43 2qxj s ARG 122 Ca 0.48 -0.21 -0.19 0.00 -0.13 0.00 0.00 55.73 55.68 2qxj s ARG 122 Cb -0.11 -3.93 -0.06 0.00 -1.56 0.00 0.00 34.95 29.29 2qxj s ARG 122 CO 0.26 -1.03 1.10 -0.51 -0.81 0.00 0.00 175.30 174.31 2qxj s LEU 123 N 3.02 3.75 0.58 -0.88 1.43 -1.26 -1.57 118.68 123.75 2qxj s LEU 123 Ca 0.26 2.08 -0.15 0.00 -1.03 0.00 0.00 54.13 55.30 2qxj s LEU 123 Cb -0.13 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.47 2qxj s LEU 123 CO 0.20 -1.12 1.02 -2.16 0.23 0.00 0.00 176.35 174.53 2qxj s PRO 124 N -3.34 3.58 0.00 1.29 0.04 -1.25 -4.77 135.00 130.55 2qxj s PRO 124 Ca 0.71 0.99 0.10 0.00 0.04 0.00 0.00 61.00 62.84 2qxj s PRO 124 Cb -0.21 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 2qxj s PRO 124 CO 0.26 -0.58 0.56 -1.13 0.04 0.00 0.00 177.00 176.15 2qxj n SER 125 N -2.10 0.93 -3.56 6.66 3.41 -1.26 -4.93 113.62 112.77 2qxj n SER 125 Ca 0.07 -0.96 -0.08 0.00 -0.26 0.00 0.00 58.87 57.64 2qxj n SER 125 Cb 0.54 0.69 -0.01 0.00 -0.26 0.00 0.00 64.21 65.16 2qxj n SER 125 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qxj s ARG 127 N -1.63 1.91 -0.30 4.33 1.70 -1.26 -5.14 118.95 118.56 2qxj s ARG 127 Ca 0.07 -1.19 -0.17 0.00 -0.47 0.00 0.00 55.73 53.97 2qxj s ARG 127 Cb 0.08 0.59 -0.02 0.00 -0.57 0.00 0.00 34.95 35.03 2qxj s ARG 127 CO 0.33 -0.87 0.47 0.00 -1.08 0.00 0.00 175.30 174.14 2qxj s GLU 129 N 2.26 3.42 0.69 0.00 0.41 -1.26 -5.00 118.70 119.22 2qxj s GLU 129 Ca 0.18 2.00 -0.11 0.00 -0.41 0.00 0.00 54.97 56.63 2qxj s GLU 129 Cb -0.16 -2.31 0.01 0.00 -1.78 0.00 0.00 34.13 29.90 2qxj s GLU 129 CO 0.11 -0.89 1.08 -1.25 -0.49 0.00 0.00 175.26 173.82 2qxj s PRO 130 N -2.83 2.87 0.43 0.39 0.04 -1.26 -5.01 135.00 129.64 2qxj s PRO 130 Ca 0.68 0.41 -0.26 0.00 0.04 0.00 0.00 61.00 61.88 2qxj s PRO 130 Cb -0.34 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.06 2qxj s PRO 130 CO 0.41 -0.99 1.41 -2.14 0.04 0.00 0.00 177.00 175.73 2qxj s PRO 132 N -5.32 3.78 0.00 0.56 0.02 -1.26 -2.69 135.00 130.08 2qxj s PRO 132 Ca 0.58 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.99 2qxj s PRO 132 Cb -0.11 -2.71 0.00 0.00 0.02 0.00 0.00 34.50 31.70 2qxj s PRO 132 CO 0.51 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.86 2qxj n GLY 133 N 0.58 2.30 3.77 0.52 0.00 0.41 -4.96 105.19 107.81 2qxj n GLY 133 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2qxj n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qxj s THR 134 N -2.62 2.46 -0.11 2.61 2.01 -1.10 -4.65 115.64 114.26 2qxj s THR 134 Ca 0.00 0.45 -0.19 0.00 0.31 0.00 0.00 61.69 62.27 2qxj s THR 134 Cb 0.00 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 2qxj s THR 134 CO 0.00 0.10 0.50 -0.89 -0.69 0.00 0.00 174.62 173.64 2qxj s THR 135 N -0.92 5.16 0.23 -0.82 2.01 -1.26 -1.10 115.64 118.95 2qxj s THR 135 Ca 0.52 1.00 0.02 0.00 0.31 0.00 0.00 61.69 63.54 2qxj s THR 135 Cb -0.43 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 2qxj s THR 135 CO 0.55 0.33 0.04 0.00 -0.69 0.00 0.00 174.62 174.85 2qxj s THR 137 N -3.61 2.72 -0.01 0.00 2.01 0.90 -0.76 115.64 116.89 2qxj s THR 137 Ca 0.31 -0.78 0.05 0.00 0.31 0.00 0.00 61.69 61.58 2qxj s THR 137 Cb 0.07 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 2qxj s THR 137 CO 0.10 0.53 -0.15 0.54 -0.69 0.00 0.00 174.62 174.95 2qxj s VAL 138 N 0.39 2.98 0.03 3.82 0.11 -0.42 -0.24 120.40 127.07 2qxj s VAL 138 Ca -0.13 -0.89 -0.00 0.00 -2.93 0.00 0.00 61.98 58.02 2qxj s VAL 138 Cb -0.16 -2.20 -0.03 0.00 -1.53 0.00 0.00 36.38 32.46 2qxj s VAL 138 CO 0.06 0.49 -0.03 -0.94 -3.33 0.00 0.00 175.10 171.35 2qxj s SER 139 N -1.02 0.33 0.00 3.54 1.04 -1.12 -1.80 113.70 114.68 2qxj s SER 139 Ca 0.13 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.88 2qxj s SER 139 Cb -0.11 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.15 2qxj s SER 139 CO 0.03 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.45 2qxj n GLY 140 N 1.07 -0.35 0.84 7.32 0.00 -0.74 -4.30 105.19 109.05 2qxj n GLY 140 Ca -0.20 -0.95 0.08 0.00 0.00 0.00 0.00 46.02 44.95 2qxj n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2qxj n TRP 141 N -0.09 0.86 -0.81 1.61 8.01 -1.26 -1.32 117.44 124.44 2qxj n TRP 141 Ca 0.00 -0.81 -0.30 0.00 -1.31 0.00 0.00 57.50 55.08 2qxj n TRP 141 Cb 0.00 -0.27 0.25 0.00 -2.01 0.00 0.00 31.31 29.29 2qxj n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2qxj s GLY 142 N -1.78 1.52 0.43 6.99 0.00 -1.25 -4.29 107.32 108.93 2qxj s GLY 142 Ca 0.39 -0.78 -0.26 0.00 0.00 0.00 0.00 44.72 44.07 2qxj s GLY 142 CO 0.10 0.10 1.38 -1.08 0.00 0.00 0.00 173.10 173.61 2qxj s THR 143 N -2.72 2.28 -2.66 0.90 -1.32 -0.01 -3.25 115.64 108.87 2qxj s THR 143 Ca 0.69 0.25 0.23 0.00 -1.21 0.00 0.00 61.69 61.66 2qxj s THR 143 Cb -0.13 -3.15 0.29 0.00 -1.51 0.00 0.00 72.50 68.00 2qxj s THR 143 CO 0.58 0.04 1.30 0.35 -2.21 0.00 0.00 174.62 174.68 2qxj n THR 144 N -0.05 0.24 -4.22 5.08 -2.24 -0.46 -1.24 114.28 111.40 2qxj n THR 144 Ca 0.04 -0.62 -0.13 0.00 -2.27 0.00 0.00 64.05 61.08 2qxj n THR 144 Cb 0.42 1.25 -0.10 0.00 -2.10 0.00 0.00 70.33 69.80 2qxj n THR 144 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2qxj s THR 145 N -1.71 0.60 -0.26 4.28 -4.23 -1.26 -4.54 115.64 108.53 2qxj s THR 145 Ca 0.32 -1.96 -0.26 0.00 -1.18 0.00 0.00 61.69 58.61 2qxj s THR 145 Cb 0.21 -2.04 0.12 0.00 1.34 0.00 0.00 72.50 72.12 2qxj s THR 145 CO 0.30 -0.53 1.01 -0.55 -0.54 0.00 0.00 174.62 174.30 2qxj s SER 146 N -3.14 -0.46 0.34 3.99 0.15 -1.26 -4.51 113.70 108.82 2qxj s SER 146 Ca 0.22 0.82 0.08 0.00 0.70 0.00 0.00 55.95 57.78 2qxj s SER 146 Cb 0.06 0.81 0.63 0.00 -1.71 0.00 0.00 66.02 65.82 2qxj s SER 146 CO 0.02 -0.19 1.82 1.55 1.20 0.00 0.00 173.24 177.64 2qxj h PRO 147 N 3.97 0.24 -7.01 5.44 0.13 -1.95 -3.45 132.00 129.37 2qxj h PRO 147 Ca -0.27 -0.08 -0.54 0.00 -0.87 0.00 0.00 66.00 64.25 2qxj h PRO 147 Cb 1.17 -0.02 0.11 0.00 0.13 0.00 0.00 31.00 32.40 2qxj h PRO 147 CO 0.14 0.48 0.63 -0.51 -0.23 0.00 0.00 178.00 178.52 2qxj s ASP 148 N -6.88 5.75 -0.15 1.44 -0.00 -1.26 -4.99 116.67 110.59 2qxj s ASP 148 Ca -0.05 2.76 -0.07 0.00 -0.00 0.00 0.00 52.55 55.19 2qxj s ASP 148 Cb 0.14 -2.64 -0.04 0.00 -0.00 0.00 0.00 42.92 40.38 2qxj s ASP 148 CO 0.75 -1.24 0.12 0.68 -0.00 0.00 0.00 175.17 175.47 2qxj s VAL 149 N -1.28 5.30 -0.08 -1.27 -7.23 -1.26 -4.42 120.40 110.16 2qxj s VAL 149 Ca 0.64 0.14 -0.03 0.00 -1.81 0.00 0.00 61.98 60.92 2qxj s VAL 149 Cb -0.40 -3.34 0.04 0.00 0.56 0.00 0.00 36.38 33.23 2qxj s VAL 149 CO 0.50 0.55 0.06 -0.89 -0.31 0.00 0.00 175.10 175.01 2qxj s THR 150 N -0.47 -0.07 -0.23 5.32 2.01 -1.26 -4.98 115.64 115.96 2qxj s THR 150 Ca 0.12 0.24 -0.09 0.00 0.31 0.00 0.00 61.69 62.26 2qxj s THR 150 Cb -0.12 -0.30 -0.05 0.00 0.01 0.00 0.00 72.50 72.05 2qxj s THR 150 CO 0.02 0.05 0.13 -0.36 -0.69 0.00 0.00 174.62 173.77 2qxj s PHE 151 N 2.15 3.27 0.39 4.92 0.08 -1.26 -1.35 117.98 126.17 2qxj s PHE 151 Ca 0.04 0.11 -0.09 0.00 0.12 0.00 0.00 56.93 57.11 2qxj s PHE 151 Cb -0.13 -2.22 -0.06 0.00 -0.57 0.00 0.00 43.02 40.04 2qxj s PHE 151 CO -0.05 0.03 0.73 -1.25 -0.10 0.00 0.00 175.22 174.58 2qxj s PRO 152 N 0.98 3.73 0.03 0.24 0.04 -1.26 -4.99 135.00 133.77 2qxj s PRO 152 Ca 0.06 0.35 0.09 0.00 0.04 0.00 0.00 61.00 61.54 2qxj s PRO 152 Cb -0.13 -2.44 -0.23 0.00 0.04 0.00 0.00 34.50 31.74 2qxj s PRO 152 CO 0.04 0.00 0.94 0.66 0.04 0.00 0.00 177.00 178.68 2qxj h SER 153 N 1.26 0.03 -3.22 6.66 4.64 -1.93 -3.46 113.55 117.53 2qxj h SER 153 Ca -0.47 -0.05 -0.57 0.00 -0.47 0.00 0.00 61.79 60.23 2qxj h SER 153 Cb 1.19 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 2qxj h SER 153 CO 0.64 1.04 -0.12 -1.81 -0.87 0.00 0.00 176.83 175.71 2qxj s ASP 154 N -6.43 6.85 0.08 4.97 -0.00 -1.26 -0.61 116.67 120.27 2qxj s ASP 154 Ca -0.03 1.06 -0.31 0.00 -0.00 0.00 0.00 52.55 53.27 2qxj s ASP 154 Cb 0.09 -2.28 -0.08 0.00 -0.00 0.00 0.00 42.92 40.64 2qxj s ASP 154 CO 0.82 0.19 1.63 -0.22 -0.00 0.00 0.00 175.17 177.59 2qxj s LEU 155 N -1.62 4.36 0.01 1.23 2.96 0.64 -4.83 118.68 121.44 2qxj s LEU 155 Ca 0.33 2.49 -0.02 0.00 -0.22 0.00 0.00 54.13 56.71 2qxj s LEU 155 Cb -0.16 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 2qxj s LEU 155 CO 0.18 -0.87 0.19 -0.04 -1.32 0.00 0.00 176.35 174.49 2qxj s MET 156 N 2.44 3.43 0.11 1.98 -1.94 -0.43 -0.36 119.30 124.52 2qxj s MET 156 Ca 0.73 -0.37 0.07 0.00 -1.71 0.00 0.00 55.69 54.41 2qxj s MET 156 Cb -0.40 -3.07 -0.03 0.00 2.01 0.00 0.00 34.83 33.33 2qxj s MET 156 CO 0.32 0.65 -0.17 0.00 -0.01 0.00 0.00 175.02 175.81 2qxj s VAL 158 N -1.53 0.00 -0.08 0.00 0.11 -0.74 -1.12 120.40 117.03 2qxj s VAL 158 Ca 0.06 -0.01 -0.15 0.00 -2.93 0.00 0.00 61.98 58.94 2qxj s VAL 158 Cb -0.08 -0.85 -0.05 0.00 -1.53 0.00 0.00 36.38 33.87 2qxj s VAL 158 CO 0.04 -0.01 0.38 -1.81 -3.33 0.00 0.00 175.10 170.36 2qxj s ASP 159 N 0.16 6.64 0.21 3.54 -0.00 -1.26 -1.30 116.67 124.66 2qxj s ASP 159 Ca -0.01 0.76 0.00 0.00 -0.00 0.00 0.00 52.55 53.30 2qxj s ASP 159 Cb -0.04 -2.23 -0.04 0.00 -0.00 0.00 0.00 42.92 40.61 2qxj s ASP 159 CO 0.02 0.18 0.09 0.68 -0.00 0.00 0.00 175.17 176.14 2qxj s VAL 160 N -0.19 0.29 -0.05 -1.27 -7.23 0.06 -4.84 120.40 107.16 2qxj s VAL 160 Ca 0.22 -1.99 0.05 0.00 -1.81 0.00 0.00 61.98 58.45 2qxj s VAL 160 Cb -0.15 -2.46 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 2qxj s VAL 160 CO 0.09 -0.11 -0.21 -0.54 -0.31 0.00 0.00 175.10 174.02 2qxj s LYS 161 N -4.07 2.52 0.30 4.82 1.02 -0.73 0.31 119.74 123.91 2qxj s LYS 161 Ca 0.35 -0.84 -0.29 0.00 0.02 0.00 0.00 55.97 55.21 2qxj s LYS 161 Cb 0.07 -2.24 -0.10 0.00 -0.52 0.00 0.00 37.83 35.04 2qxj s LYS 161 CO 0.11 0.47 1.41 -0.51 -0.92 0.00 0.00 175.35 175.90 2qxj s LEU 162 N -0.35 4.38 -0.08 3.17 1.43 -0.26 -1.55 118.68 125.42 2qxj s LEU 162 Ca 0.02 2.76 -0.00 0.00 -1.03 0.00 0.00 54.13 55.89 2qxj s LEU 162 Cb -0.12 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 2qxj s LEU 162 CO 0.02 -0.69 -0.06 -0.63 0.23 0.00 0.00 176.35 175.22 2qxj s ILE 163 N -0.60 3.79 0.60 -0.59 1.01 0.38 -0.45 121.20 125.36 2qxj s ILE 163 Ca 0.55 -0.44 -0.19 0.00 0.00 0.00 0.00 60.65 60.57 2qxj s ILE 163 Cb -0.42 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 2qxj s ILE 163 CO 0.50 0.59 1.24 -0.94 0.00 0.00 0.00 174.94 176.33 2qxj s SER 164 N -0.67 5.06 0.44 3.58 1.04 -1.26 -4.24 113.70 117.65 2qxj s SER 164 Ca 0.10 2.48 0.11 0.00 0.48 0.00 0.00 55.95 59.12 2qxj s SER 164 Cb -0.11 -2.61 1.00 0.00 0.10 0.00 0.00 66.02 64.40 2qxj s SER 164 CO 0.02 -1.69 2.05 1.55 0.98 0.00 0.00 173.24 176.15 2qxj h PRO 165 N 0.86 0.39 0.20 4.02 0.13 -1.96 -1.27 132.00 134.37 2qxj h PRO 165 Ca -0.51 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 2qxj h PRO 165 Cb 1.31 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2qxj h PRO 165 CO 0.55 0.26 -0.10 1.96 -0.23 0.00 0.00 178.00 180.44 2qxj h GLN 166 N 0.40 -0.26 -0.49 0.86 7.50 -2.00 -0.97 115.11 120.15 2qxj h GLN 166 Ca 0.17 0.02 0.01 0.00 0.50 0.00 0.00 58.65 59.35 2qxj h GLN 166 Cb 0.18 0.06 -0.03 0.00 0.05 0.00 0.00 27.48 27.75 2qxj h GLN 166 CO -0.04 -0.07 0.31 -0.44 -1.50 0.00 0.00 178.83 177.09 2qxj h ASP 167 N -0.39 0.54 -0.50 1.46 3.45 -1.80 -2.85 116.42 116.32 2qxj h ASP 167 Ca -0.03 -0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.35 2qxj h ASP 167 Cb 0.30 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.92 2qxj h ASP 167 CO 0.04 0.39 0.05 0.00 -1.57 0.00 0.00 179.24 178.15 2qxj h THR 169 N 0.85 0.78 0.00 0.00 2.02 -0.94 0.26 112.91 115.88 2qxj h THR 169 Ca 0.17 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.31 2qxj h THR 169 Cb 0.44 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 2qxj h THR 169 CO 0.02 0.00 -0.20 0.11 0.37 0.00 0.00 175.52 175.82 2qxj h LYS 170 N 0.00 0.00 0.00 6.66 1.57 -1.32 0.24 116.57 123.72 2qxj h LYS 170 Ca 0.14 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.63 2qxj h LYS 170 Cb 0.58 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.85 2qxj h LYS 170 CO -0.00 0.20 -1.57 0.28 -0.57 0.00 0.00 179.45 177.79 2qxj n VAL 171 N -3.67 1.54 0.46 0.50 0.31 0.79 -4.66 118.33 113.60 2qxj n VAL 171 Ca -0.01 -0.13 0.11 0.00 -0.01 0.00 0.00 64.34 64.30 2qxj n VAL 171 Cb 0.32 -1.99 -0.09 0.00 -0.91 0.00 0.00 33.84 31.17 2qxj n VAL 171 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2qxj n TYR 172 N -4.35 0.13 0.00 3.52 4.01 -0.38 -5.03 117.16 115.05 2qxj n TYR 172 Ca -0.37 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.41 2qxj n TYR 172 Cb 0.74 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 2qxj n TYR 172 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2qxj n LYS 173 N -1.97 0.00 0.17 -0.72 5.02 0.84 -1.75 118.16 119.75 2qxj n LYS 173 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 2qxj n LYS 173 Cb 0.46 0.00 0.62 0.00 -0.02 0.00 0.00 35.03 36.09 2qxj n LYS 173 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2qxj h ASP 174 N 0.00 0.00 0.97 4.39 2.03 -1.96 -2.60 116.42 119.24 2qxj h ASP 174 Ca 0.00 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.25 2qxj h ASP 174 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 2qxj h ASP 174 CO 0.00 0.00 -0.23 -0.07 -1.03 0.00 0.00 179.24 177.91 2qxj h LEU 175 N 0.00 0.00 -9.16 0.15 3.38 -1.75 -3.43 115.31 104.49 2qxj h LEU 175 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 2qxj h LEU 175 Cb 0.03 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 2qxj h LEU 175 CO 0.00 0.23 0.40 -0.76 0.09 0.00 0.00 178.44 178.40 2qxj s LEU 176 N -6.76 4.17 0.00 1.67 1.43 -0.98 -5.02 118.68 113.19 2qxj s LEU 176 Ca 0.01 1.18 0.03 0.00 -1.03 0.00 0.00 54.13 54.32 2qxj s LEU 176 Cb 0.10 -3.24 0.03 0.00 0.03 0.00 0.00 46.19 43.11 2qxj s LEU 176 CO 0.64 -0.40 0.28 -0.62 0.23 0.00 0.00 176.35 176.48 2qxj n GLU 177 N 5.24 0.79 -1.71 1.70 -0.58 -1.26 -5.02 120.64 119.80 2qxj n GLU 177 Ca 0.05 -3.18 -0.38 0.00 -0.42 0.00 0.00 57.16 53.23 2qxj n GLU 177 Cb 0.49 0.48 0.06 0.00 -0.57 0.00 0.00 31.44 31.89 2qxj n GLU 177 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2qxj n ASN 178 N -1.70 1.93 -3.02 1.62 0.23 -1.26 -3.20 115.26 109.86 2qxj n ASN 178 Ca -0.06 0.86 -0.22 0.00 -0.53 0.00 0.00 54.58 54.62 2qxj n ASN 178 Cb 0.57 -1.52 0.03 0.00 -2.08 0.00 0.00 39.78 36.78 2qxj n ASN 178 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2qxj n SER 179 N -1.43 -5.77 -4.18 0.53 7.64 -1.26 -4.55 113.62 104.59 2qxj n SER 179 Ca 0.14 -0.28 -0.36 0.00 1.01 0.00 0.00 58.87 59.39 2qxj n SER 179 Cb 0.47 -4.69 -0.13 0.00 -1.01 0.00 0.00 64.21 58.86 2qxj n SER 179 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2qxj s MET 180 N -5.70 2.37 -0.18 1.43 -1.94 -1.19 -1.95 119.30 112.14 2qxj s MET 180 Ca 0.29 -1.38 -0.13 0.00 -1.71 0.00 0.00 55.69 52.76 2qxj s MET 180 Cb -0.13 -3.34 -0.05 0.00 2.01 0.00 0.00 34.83 33.32 2qxj s MET 180 CO 0.36 -0.74 0.28 -1.17 -0.01 0.00 0.00 175.02 173.74 2qxj s LEU 181 N 1.26 4.21 0.03 -0.03 2.96 0.62 -4.88 118.68 122.86 2qxj s LEU 181 Ca -0.01 0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 54.32 2qxj s LEU 181 Cb -0.20 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 2qxj s LEU 181 CO -0.01 0.08 0.20 0.00 -1.32 0.00 0.00 176.35 175.30 2qxj s ALA 183 N -1.44 -1.08 0.00 0.00 0.00 -0.68 -0.47 121.76 118.10 2qxj s ALA 183 Ca 0.32 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.28 2qxj s ALA 183 Cb -0.13 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.56 2qxj s ALA 183 CO 0.24 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.17 2qxj n GLY 184 N 2.21 -1.55 3.14 0.00 0.00 -0.60 -1.39 105.19 107.01 2qxj n GLY 184 Ca -0.16 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 2qxj n GLY 184 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qxj s ILE 185 N -2.44 1.66 0.25 -0.61 -1.09 -1.26 -1.78 121.20 115.92 2qxj s ILE 185 Ca 0.00 -0.79 -0.31 0.00 -2.23 0.00 0.00 60.65 57.32 2qxj s ILE 185 Cb 0.00 -1.45 -0.13 0.00 -1.58 0.00 0.00 42.46 39.30 2qxj s ILE 185 CO 0.00 0.47 1.45 -0.81 -1.23 0.00 0.00 174.94 174.82 2qxj n PRO 186 N 3.60 2.16 -3.65 2.79 -0.04 -1.26 -2.01 135.00 136.59 2qxj n PRO 186 Ca -0.20 0.77 -0.27 0.00 -0.04 0.00 0.00 63.50 63.75 2qxj n PRO 186 Cb 0.52 -2.45 0.03 0.00 -0.04 0.00 0.00 33.50 31.56 2qxj n PRO 186 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2qxj n ASP 186 N 2.21 -5.07 -4.06 3.54 8.00 -1.26 -4.93 116.55 114.98 2qxj n ASP 186 Ca 0.11 -0.61 -0.15 0.00 0.71 0.00 0.00 54.79 54.85 2qxj n ASP 186 Cb 0.32 -4.06 -0.12 0.00 -0.02 0.00 0.00 41.12 37.24 2qxj n ASP 186 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2qxj s SER 186 N -3.11 0.98 0.00 -2.24 0.15 -0.85 -4.93 113.70 103.70 2qxj s SER 186 Ca 0.56 -0.44 0.28 0.00 0.70 0.00 0.00 55.95 57.05 2qxj s SER 186 Cb -0.28 -0.01 1.02 0.00 -1.71 0.00 0.00 66.02 65.05 2qxj s SER 186 CO 0.69 -0.10 1.77 0.29 1.20 0.00 0.00 173.24 177.09 2qxj n LYS 187 N 1.84 0.10 -1.50 5.44 5.02 -1.26 -4.12 118.16 123.68 2qxj n LYS 187 Ca -0.20 -0.03 -0.48 0.00 -2.02 0.00 0.00 58.31 55.59 2qxj n LYS 187 Cb 0.55 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.01 2qxj n LYS 187 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qxj n LYS 188 N -1.42 1.36 -3.47 1.97 5.02 -1.25 -4.29 118.16 116.07 2qxj n LYS 188 Ca 0.08 0.36 -0.06 0.00 -2.02 0.00 0.00 58.31 56.67 2qxj n LYS 188 Cb 0.33 -2.74 0.02 0.00 -0.02 0.00 0.00 35.03 32.62 2qxj n LYS 188 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2qxj n ASN 189 N 10.64 -1.79 -4.99 4.39 2.85 -1.02 -4.43 115.26 120.90 2qxj n ASN 189 Ca 0.38 -2.13 -0.19 0.00 -0.11 0.00 0.00 54.58 52.53 2qxj n ASN 189 Cb 0.31 2.96 0.03 0.00 1.24 0.00 0.00 39.78 44.32 2qxj n ASN 189 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2qxj s ALA 190 N -1.92 4.39 0.02 5.20 0.00 -1.26 0.09 121.76 128.29 2qxj s ALA 190 Ca 0.16 -1.69 -0.01 0.00 0.00 0.00 0.00 51.96 50.42 2qxj s ALA 190 Cb -0.04 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.38 2qxj s ALA 190 CO 0.08 -0.55 0.05 0.00 0.00 0.00 0.00 175.76 175.34 2qxj n ASN 192 N -1.16 2.36 0.00 0.00 3.02 -1.26 -1.13 115.26 117.08 2qxj n ASN 192 Ca -0.00 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.64 2qxj n ASN 192 Cb 0.04 -1.28 0.00 0.00 -0.61 0.00 0.00 39.78 37.93 2qxj n ASN 192 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qxj n GLY 193 N 3.15 1.67 0.07 7.41 0.00 -1.26 -0.83 105.19 115.39 2qxj n GLY 193 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 2qxj n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qxj n ASP 194 N 0.00 0.70 -4.58 1.61 10.43 -0.28 -3.59 116.55 120.84 2qxj n ASP 194 Ca 0.00 0.22 -0.43 0.00 2.57 0.00 0.00 54.79 57.14 2qxj n ASP 194 Cb 0.00 -0.07 -0.00 0.00 1.84 0.00 0.00 41.12 42.88 2qxj n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2qxj n SER 195 N -2.10 1.01 0.00 -2.24 7.64 -1.26 -1.64 113.62 115.03 2qxj n SER 195 Ca 0.04 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.02 2qxj n SER 195 Cb 0.43 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 2qxj n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qxj n GLY 196 N 1.28 2.84 3.74 0.23 0.00 -0.20 0.52 105.19 113.59 2qxj n GLY 196 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 2qxj n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qxj s GLY 197 N -1.62 1.93 0.28 -0.02 0.00 -0.65 -3.19 107.32 104.05 2qxj s GLY 197 Ca 0.00 0.54 -0.28 0.00 0.00 0.00 0.00 44.72 44.97 2qxj s GLY 197 CO 0.00 0.91 0.98 2.56 0.00 0.00 0.00 173.10 177.55 2qxj s PRO 198 N -4.45 4.68 -0.28 2.90 0.04 -1.26 -1.27 135.00 135.35 2qxj s PRO 198 Ca 0.67 1.50 0.02 0.00 0.04 0.00 0.00 61.00 63.22 2qxj s PRO 198 Cb -0.22 -3.06 0.06 0.00 0.04 0.00 0.00 34.50 31.33 2qxj s PRO 198 CO 0.51 0.34 -0.05 -1.17 0.04 0.00 0.00 177.00 176.67 2qxj s LEU 199 N -1.61 3.78 -0.06 -3.56 2.96 0.46 -2.79 118.68 117.86 2qxj s LEU 199 Ca 0.46 -1.48 0.03 0.00 -0.22 0.00 0.00 54.13 52.91 2qxj s LEU 199 Cb -0.24 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 2qxj s LEU 199 CO 0.31 -0.24 -0.12 0.68 -1.32 0.00 0.00 176.35 175.65 2qxj s VAL 200 N 1.11 3.25 -0.04 1.68 -7.23 0.67 -1.26 120.40 118.58 2qxj s VAL 200 Ca -0.05 -0.65 0.01 0.00 -1.81 0.00 0.00 61.98 59.47 2qxj s VAL 200 Cb -0.20 -2.29 0.02 0.00 0.56 0.00 0.00 36.38 34.47 2qxj s VAL 200 CO -0.04 0.59 -0.03 0.00 -0.31 0.00 0.00 175.10 175.31 2qxj n ARG 202 N 4.17 -4.90 -0.71 0.00 1.74 -1.26 -1.72 116.66 113.99 2qxj n ARG 202 Ca -0.23 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.42 2qxj n ARG 202 Cb 0.51 -5.23 0.00 0.00 -1.02 0.00 0.00 32.46 26.72 2qxj n ARG 202 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qxj n GLY 203 N -1.67 0.75 3.41 -0.13 0.00 -1.26 -4.99 105.19 101.30 2qxj n GLY 203 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 2qxj n GLY 203 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qxj s THR 208 N -2.75 2.42 -0.20 2.61 -4.23 -0.70 -4.57 115.64 108.23 2qxj s THR 208 Ca 0.00 -1.56 -0.29 0.00 -1.18 0.00 0.00 61.69 58.66 2qxj s THR 208 Cb 0.00 -2.05 -0.01 0.00 1.34 0.00 0.00 72.50 71.78 2qxj s THR 208 CO 0.00 0.18 1.34 -0.22 -0.54 0.00 0.00 174.62 175.38 2qxj s LEU 209 N -1.82 4.08 -0.02 4.79 2.96 -0.61 -1.70 118.68 126.36 2qxj s LEU 209 Ca 0.14 1.60 0.11 0.00 -0.22 0.00 0.00 54.13 55.76 2qxj s LEU 209 Cb -0.10 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.88 2qxj s LEU 209 CO 0.06 -0.91 0.22 0.00 -1.32 0.00 0.00 176.35 174.40 2qxj n GLN 210 N 6.94 0.55 -3.52 1.98 1.13 -0.39 -3.76 117.38 120.32 2qxj n GLN 210 Ca 0.15 -0.09 -0.11 0.00 -1.94 0.00 0.00 57.00 55.01 2qxj n GLN 210 Cb 0.45 -1.26 -0.03 0.00 0.11 0.00 0.00 30.24 29.51 2qxj n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2qxj s GLY 211 N -3.37 -0.47 -0.10 1.08 0.00 -0.90 -2.37 107.32 101.18 2qxj s GLY 211 Ca -0.04 0.26 0.03 0.00 0.00 0.00 0.00 44.72 44.98 2qxj s GLY 211 CO 0.45 0.00 -0.22 1.08 0.00 0.00 0.00 173.10 174.42 2qxj s LEU 212 N -2.78 2.02 0.01 0.66 1.43 -0.93 -0.41 118.68 118.69 2qxj s LEU 212 Ca 0.03 -0.53 -0.35 0.00 -1.03 0.00 0.00 54.13 52.25 2qxj s LEU 212 Cb -0.01 -1.33 -0.14 0.00 0.03 0.00 0.00 46.19 44.75 2qxj s LEU 212 CO -0.11 0.12 1.69 0.52 0.23 0.00 0.00 176.35 178.80 2qxj n VAL 213 N 3.69 0.26 0.01 -1.59 0.31 -0.40 -1.03 118.33 119.58 2qxj n VAL 213 Ca -0.20 -0.05 -0.01 0.00 -0.01 0.00 0.00 64.34 64.08 2qxj n VAL 213 Cb 0.52 -1.55 -0.00 0.00 -0.91 0.00 0.00 33.84 31.90 2qxj n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2qxj n SER 214 N 4.76 0.70 -3.26 4.52 2.88 -0.47 -1.03 113.62 121.72 2qxj n SER 214 Ca 0.20 0.10 -0.10 0.00 -1.33 0.00 0.00 58.87 57.74 2qxj n SER 214 Cb 0.26 -0.27 -0.01 0.00 -0.75 0.00 0.00 64.21 63.44 2qxj n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2qxj s TRP 215 N -1.65 0.40 0.00 0.66 1.48 -0.63 -4.91 118.94 114.29 2qxj s TRP 215 Ca -0.03 -0.88 0.00 0.00 -1.06 0.00 0.00 56.10 54.13 2qxj s TRP 215 Cb 0.00 0.47 0.00 0.00 -1.16 0.00 0.00 33.47 32.78 2qxj s TRP 215 CO 0.05 -1.33 0.00 0.41 -4.06 0.00 0.00 176.95 172.01 2qxj n GLY 216 N -0.51 2.29 3.85 3.67 0.00 -1.26 0.21 105.19 113.44 2qxj n GLY 216 Ca -0.04 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 2qxj n GLY 216 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qxj s THR 217 N -2.51 4.19 -0.05 2.61 -4.23 -1.26 -5.03 115.64 109.36 2qxj s THR 217 Ca 0.00 -1.35 0.04 0.00 -1.18 0.00 0.00 61.69 59.20 2qxj s THR 217 Cb 0.00 -3.36 -0.00 0.00 1.34 0.00 0.00 72.50 70.48 2qxj s THR 217 CO 0.00 -0.29 -0.18 0.12 -0.54 0.00 0.00 174.62 173.73 2qxj s PHE 218 N -2.18 1.85 0.79 3.99 5.36 -1.26 -3.30 117.98 123.23 2qxj s PHE 218 Ca 0.36 -0.58 -0.12 0.00 -0.96 0.00 0.00 56.93 55.63 2qxj s PHE 218 Cb -0.07 -1.25 0.07 0.00 -0.34 0.00 0.00 43.02 41.43 2qxj s PHE 218 CO 0.26 -0.21 1.15 -1.25 -1.46 0.00 0.00 175.22 173.70 2qxj s PRO 219 N 0.12 1.92 0.84 10.12 0.04 -1.26 -5.13 135.00 141.65 2qxj s PRO 219 Ca -0.07 1.50 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 2qxj s PRO 219 Cb -0.13 -1.83 0.09 0.00 0.04 0.00 0.00 34.50 32.67 2qxj s PRO 219 CO 0.03 -1.95 1.09 0.00 0.04 0.00 0.00 177.00 176.22 2qxj n GLY 220 N -1.16 0.48 3.70 0.00 0.00 -1.26 -4.82 105.19 102.13 2qxj n GLY 220 Ca 0.08 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 2qxj n GLY 220 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qxj s GLN 221 N -3.65 4.40 0.35 1.61 -0.21 -1.26 -4.27 119.66 116.62 2qxj s GLN 221 Ca 0.00 1.64 -0.28 0.00 0.02 0.00 0.00 55.36 56.74 2qxj s GLN 221 Cb 0.00 -3.49 -0.12 0.00 1.00 0.00 0.00 33.01 30.40 2qxj s GLN 221 CO 0.00 -0.34 1.28 -2.30 -2.12 0.00 0.00 175.29 171.80 2qxj n PRO 222 N 4.73 2.09 -0.98 2.91 -0.02 -1.26 -1.61 135.00 140.85 2qxj n PRO 222 Ca 0.10 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2qxj n PRO 222 Cb 0.47 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2qxj n PRO 222 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qxj n ASN 223 N 0.72 -4.29 -4.20 2.55 5.03 -1.26 -4.88 115.26 108.93 2qxj n ASN 223 Ca 0.05 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.09 2qxj n ASN 223 Cb 0.36 -2.04 -0.08 0.00 -1.02 0.00 0.00 39.78 37.01 2qxj n ASN 223 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2qxj s ASP 224 N -2.03 5.71 0.60 6.41 -0.00 -0.64 -5.02 116.67 121.70 2qxj s ASP 224 Ca 0.00 -2.09 -0.19 0.00 -0.00 0.00 0.00 52.55 50.27 2qxj s ASP 224 Cb 0.00 -2.00 -0.03 0.00 -0.00 0.00 0.00 42.92 40.89 2qxj s ASP 224 CO 0.00 -0.64 1.22 -2.84 -0.00 0.00 0.00 175.17 172.91 2qxj s PRO 225 N 1.09 2.91 0.38 8.23 0.02 -1.26 -4.69 135.00 141.67 2qxj s PRO 225 Ca 0.08 1.85 -0.21 0.00 0.02 0.00 0.00 61.00 62.75 2qxj s PRO 225 Cb -0.24 -1.92 -0.10 0.00 0.02 0.00 0.00 34.50 32.26 2qxj s PRO 225 CO -0.02 -1.26 0.89 0.20 -0.33 0.00 0.00 177.00 176.48 2qxj s GLY 226 N -1.58 2.47 -0.12 0.52 0.00 -0.48 -4.69 107.32 103.43 2qxj s GLY 226 Ca 0.78 0.34 -0.00 0.00 0.00 0.00 0.00 44.72 45.83 2qxj s GLY 226 CO 0.34 0.64 -0.12 0.14 0.00 0.00 0.00 173.10 174.10 2qxj s VAL 227 N -2.00 3.17 0.12 1.40 1.01 0.13 -1.69 120.40 122.55 2qxj s VAL 227 Ca 0.57 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 62.02 2qxj s VAL 227 Cb -0.11 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 2qxj s VAL 227 CO 0.16 0.53 -0.23 -0.31 0.00 0.00 0.00 175.10 175.26 2qxj s TYR 228 N 0.23 1.95 -0.06 5.22 1.51 0.22 -1.37 117.35 125.05 2qxj s TYR 228 Ca -0.08 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.28 2qxj s TYR 228 Cb -0.15 -1.06 -0.04 0.00 -0.11 0.00 0.00 41.96 40.61 2qxj s TYR 228 CO 0.05 0.26 1.28 0.99 -1.11 0.00 0.00 175.55 177.02 2qxj s THR 229 N -1.21 4.09 -0.78 -0.71 2.01 -0.19 -0.27 115.64 118.57 2qxj s THR 229 Ca 0.10 1.41 -0.26 0.00 0.31 0.00 0.00 61.69 63.25 2qxj s THR 229 Cb -0.10 -3.91 0.03 0.00 0.01 0.00 0.00 72.50 68.54 2qxj s THR 229 CO 0.05 -0.03 1.33 -1.58 -0.69 0.00 0.00 174.62 173.70 2qxj s GLN 230 N 2.61 3.23 0.40 4.92 0.74 -0.82 -2.18 119.66 128.56 2qxj s GLN 230 Ca 0.58 -0.36 0.11 0.00 0.05 0.00 0.00 55.36 55.74 2qxj s GLN 230 Cb -0.26 -4.40 0.92 0.00 1.10 0.00 0.00 33.01 30.37 2qxj s GLN 230 CO 0.22 -2.19 1.96 0.28 -0.55 0.00 0.00 175.29 175.00 2qxj h VAL 231 N 6.20 0.92 0.00 1.34 2.07 -1.79 -2.21 116.25 122.78 2qxj h VAL 231 Ca -0.19 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2qxj h VAL 231 Cb 1.05 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2qxj h VAL 231 CO 1.30 0.10 0.00 0.00 0.02 0.00 0.00 177.57 178.99 2qxj n LYS 233 N -1.82 1.09 -0.03 0.00 4.76 -0.83 -4.30 118.16 117.03 2qxj n LYS 233 Ca -0.00 -0.85 0.01 0.00 -2.87 0.00 0.00 58.31 54.60 2qxj n LYS 233 Cb 0.03 -1.48 0.02 0.00 -1.84 0.00 0.00 35.03 31.75 2qxj n LYS 233 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2qxj n PHE 234 N -0.22 0.00 -0.23 2.13 3.72 -0.20 -4.80 117.46 117.87 2qxj n PHE 234 Ca 0.10 -0.45 0.01 0.00 -0.05 0.00 0.00 57.45 57.06 2qxj n PHE 234 Cb 0.43 -0.05 0.13 0.00 -0.94 0.00 0.00 39.48 39.05 2qxj n PHE 234 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2qxj h THR 235 N 0.82 0.81 -0.34 4.37 1.35 -1.72 0.14 112.91 118.34 2qxj h THR 235 Ca 0.00 -0.18 -0.03 0.00 -0.55 0.00 0.00 66.41 65.65 2qxj h THR 235 Cb 0.69 0.24 -0.01 0.00 -1.73 0.00 0.00 68.15 67.33 2qxj h THR 235 CO 0.00 0.10 0.10 0.50 -0.25 0.00 0.00 175.52 175.96 2qxj h LYS 236 N 0.52 0.53 -0.52 4.72 3.64 -1.92 -1.95 116.57 121.59 2qxj h LYS 236 Ca 0.34 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2qxj h LYS 236 Cb 0.39 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 2qxj h LYS 236 CO -0.29 0.57 0.34 2.35 -2.27 0.00 0.00 179.45 180.15 2qxj h TRP 237 N 0.39 0.67 -0.46 1.91 7.01 -1.72 -1.06 115.95 122.69 2qxj h TRP 237 Ca 0.11 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.15 2qxj h TRP 237 Cb 0.26 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 27.06 2qxj h TRP 237 CO 0.01 0.44 0.24 0.82 -2.79 0.00 0.00 178.44 177.15 2qxj h ILE 238 N 0.71 0.98 0.11 2.65 2.04 -0.55 -1.40 117.51 122.05 2qxj h ILE 238 Ca 0.19 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 2qxj h ILE 238 Cb -0.06 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2qxj h ILE 238 CO -0.04 0.09 -0.05 0.78 0.00 0.00 0.00 178.15 178.92 2qxj h ASN 239 N 0.47 -0.13 -0.87 1.72 -0.26 -1.10 -2.78 115.58 112.63 2qxj h ASN 239 Ca 0.20 -0.29 0.05 0.00 -0.56 0.00 0.00 56.30 55.71 2qxj h ASN 239 Cb 0.09 0.03 -0.05 0.00 -1.06 0.00 0.00 38.32 37.33 2qxj h ASN 239 CO -0.13 0.23 0.57 0.44 -1.06 0.00 0.00 177.43 177.48 2qxj h ASP 240 N -0.50 0.89 -0.40 5.81 3.32 -1.14 -0.16 116.42 124.25 2qxj h ASP 240 Ca -0.02 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 2qxj h ASP 240 Cb 0.41 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2qxj h ASP 240 CO 0.03 0.58 -0.15 0.74 -1.72 0.00 0.00 179.24 178.72 2qxj h THR 241 N 1.02 1.27 -0.00 0.35 2.02 -1.27 -0.92 112.91 115.37 2qxj h THR 241 Ca 0.37 -1.26 -0.15 0.00 0.77 0.00 0.00 66.41 66.13 2qxj h THR 241 Cb 0.15 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 2qxj h THR 241 CO -0.13 0.43 -0.72 0.24 0.37 0.00 0.00 175.52 175.71 2qxj h MET 242 N 0.77 0.00 0.00 6.66 2.86 -1.14 -2.88 114.93 121.20 2qxj h MET 242 Ca 0.12 -0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.64 2qxj h MET 242 Cb 0.67 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 2qxj h MET 242 CO 0.05 0.73 -0.57 -0.22 1.06 0.00 0.00 176.91 177.96 2qxj h LYS 243 N 0.00 0.00 0.00 1.72 1.63 -0.72 -3.32 116.57 115.88 2qxj h LYS 243 Ca -0.01 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.55 2qxj h LYS 243 Cb 1.28 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.87 2qxj h LYS 243 CO 0.09 0.57 -1.63 1.17 -3.45 0.00 0.00 179.45 176.20 2qxj n LYS 244 N -3.62 0.63 -2.48 1.90 4.81 -0.38 -4.52 118.16 114.50 2qxj n LYS 244 Ca -0.00 0.25 -0.36 0.00 -0.87 0.00 0.00 58.31 57.32 2qxj n LYS 244 Cb 0.62 -1.79 0.01 0.00 0.02 0.00 0.00 35.03 33.90 2qxj n LYS 244 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2qxj n HIS 245 N -2.97 3.15 -0.09 5.64 8.25 -1.09 -5.11 115.22 123.00 2qxj n HIS 245 Ca -0.15 -2.83 0.00 0.00 -0.26 0.00 0.00 57.72 54.48 2qxj n HIS 245 Cb 0.97 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 31.15 2qxj n HIS 245 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52