#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qxg s ILE 17 N 0.00 3.58 -0.90 1.39 1.01 -0.28 -4.10 121.20 121.90 2qxg s ILE 17 Ca 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 2qxg s ILE 17 Cb 0.00 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.92 2qxg s ILE 17 CO 0.00 0.50 0.77 -0.67 0.00 0.00 0.00 174.94 175.55 2qxg n ASP 18 N 3.58 -3.81 0.00 3.58 2.03 -1.26 -2.53 116.55 118.14 2qxg n ASP 18 Ca -0.18 -0.40 0.00 0.00 0.52 0.00 0.00 54.79 54.73 2qxg n ASP 18 Cb 0.52 -3.69 0.00 0.00 -0.72 0.00 0.00 41.12 37.24 2qxg n ASP 18 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qxg n GLY 19 N -1.36 5.00 3.54 0.27 0.00 -1.26 -4.71 105.19 106.65 2qxg n GLY 19 Ca -0.08 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.10 2qxg n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qxg s ALA 20 N -2.03 -1.76 0.22 4.61 0.00 -0.19 -4.95 121.76 117.67 2qxg s ALA 20 Ca 0.00 0.78 -0.32 0.00 0.00 0.00 0.00 51.96 52.43 2qxg s ALA 20 Cb 0.00 0.52 -0.12 0.00 0.00 0.00 0.00 23.12 23.52 2qxg s ALA 20 CO 0.00 -0.76 1.68 -2.30 0.00 0.00 0.00 175.76 174.38 2qxg n PRO 21 N -0.30 2.71 -2.04 0.00 -0.02 -1.26 0.13 135.00 134.22 2qxg n PRO 21 Ca -0.09 0.98 -0.34 0.00 -2.02 0.00 0.00 63.50 62.02 2qxg n PRO 21 Cb 0.62 -2.80 0.02 0.00 -0.02 0.00 0.00 33.50 31.32 2qxg n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qxg s ALA 23 N -2.07 3.65 0.34 0.00 0.00 -1.26 -4.90 121.76 117.52 2qxg s ALA 23 Ca 0.69 1.08 -0.25 0.00 0.00 0.00 0.00 51.96 53.48 2qxg s ALA 23 Cb -0.22 -3.68 -0.14 0.00 0.00 0.00 0.00 23.12 19.09 2qxg s ALA 23 CO 0.33 -1.10 0.67 -2.13 0.00 0.00 0.00 175.76 173.53 2qxg n ARG 24 N 5.79 0.69 -0.80 0.00 0.63 -1.26 -2.13 116.66 119.58 2qxg n ARG 24 Ca 0.15 0.25 0.00 0.00 -0.92 0.00 0.00 57.85 57.33 2qxg n ARG 24 Cb 0.42 -1.51 0.00 0.00 0.45 0.00 0.00 32.46 31.82 2qxg n ARG 24 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qxg n GLY 25 N 1.66 0.50 0.05 5.14 0.00 -1.26 -4.85 105.19 106.44 2qxg n GLY 25 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 2qxg n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qxg n SER 26 N -0.06 0.56 -3.02 1.61 3.41 -0.91 -4.26 113.62 110.96 2qxg n SER 26 Ca 0.00 0.20 -0.25 0.00 -0.26 0.00 0.00 58.87 58.56 2qxg n SER 26 Cb 0.03 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 2qxg n SER 26 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2qxg n HIS 27 N -1.91 3.32 0.32 7.33 8.25 -1.26 -4.89 115.22 126.38 2qxg n HIS 27 Ca 0.05 -3.97 0.06 0.00 -0.26 0.00 0.00 57.72 53.60 2qxg n HIS 27 Cb 0.40 -0.48 0.29 0.00 1.12 0.00 0.00 29.99 31.31 2qxg n HIS 27 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2qxg n PRO 28 N -0.05 0.05 -0.19 -0.41 -0.04 -1.26 -2.18 135.00 130.91 2qxg n PRO 28 Ca 0.30 0.38 0.11 0.00 -0.04 0.00 0.00 63.50 64.25 2qxg n PRO 28 Cb 0.44 -1.61 0.20 0.00 -0.04 0.00 0.00 33.50 32.49 2qxg n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2qxg n TRP 29 N -1.70 0.50 -3.30 0.54 4.27 -1.25 -1.96 117.44 114.54 2qxg n TRP 29 Ca 0.02 -0.29 -0.38 0.00 -3.89 0.00 0.00 57.50 52.96 2qxg n TRP 29 Cb 0.12 -0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.01 2qxg n TRP 29 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 2qxg s GLN 30 N -1.32 4.27 0.46 -2.67 2.00 -0.93 -0.84 119.66 120.63 2qxg s GLN 30 Ca 0.36 0.55 0.03 0.00 -2.00 0.00 0.00 55.36 54.29 2qxg s GLN 30 Cb 0.21 -3.37 -0.02 0.00 0.80 0.00 0.00 33.01 30.63 2qxg s GLN 30 CO 0.28 0.30 0.08 0.14 -0.50 0.00 0.00 175.29 175.60 2qxg s VAL 31 N 0.11 0.78 -0.02 1.34 -7.23 -0.08 -4.61 120.40 110.69 2qxg s VAL 31 Ca 0.28 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.44 2qxg s VAL 31 Cb -0.16 -2.23 0.02 0.00 0.56 0.00 0.00 36.38 34.57 2qxg s VAL 31 CO 0.13 0.00 0.04 0.00 -0.31 0.00 0.00 175.10 174.96 2qxg s ALA 32 N -3.06 -0.02 -0.23 1.32 0.00 -0.86 -2.55 121.76 116.36 2qxg s ALA 32 Ca 0.15 0.22 -0.11 0.00 0.00 0.00 0.00 51.96 52.22 2qxg s ALA 32 Cb 0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 2qxg s ALA 32 CO 0.10 -0.06 0.18 -0.51 0.00 0.00 0.00 175.76 175.46 2qxg s LEU 33 N 0.55 4.14 0.14 0.00 1.43 -0.76 -0.51 118.68 123.67 2qxg s LEU 33 Ca -0.04 0.17 0.08 0.00 -1.03 0.00 0.00 54.13 53.31 2qxg s LEU 33 Cb -0.06 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 2qxg s LEU 33 CO -0.02 0.08 -0.19 -0.76 0.23 0.00 0.00 176.35 175.69 2qxg s LEU 34 N 0.93 2.38 -0.67 1.79 1.43 -0.64 -0.73 118.68 123.17 2qxg s LEU 34 Ca 0.09 -0.79 -0.05 0.00 -1.03 0.00 0.00 54.13 52.34 2qxg s LEU 34 Cb -0.13 -0.86 0.17 0.00 0.03 0.00 0.00 46.19 45.40 2qxg s LEU 34 CO 0.03 0.01 0.51 -0.94 0.23 0.00 0.00 176.35 176.19 2qxg s SER 35 N -2.37 5.55 0.00 2.29 1.04 -0.81 -2.11 113.70 117.29 2qxg s SER 35 Ca 0.12 -2.82 0.00 0.00 0.48 0.00 0.00 55.95 53.73 2qxg s SER 35 Cb -0.07 -1.93 0.00 0.00 0.10 0.00 0.00 66.02 64.12 2qxg s SER 35 CO 0.06 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2qxg n GLY 36 N 3.59 1.95 0.17 7.32 0.00 -1.26 -2.99 105.19 113.97 2qxg n GLY 36 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2qxg n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qxg n ASN 38 N 5.46 0.00 -4.33 1.61 3.02 -1.26 -4.96 115.26 114.80 2qxg n ASN 38 Ca 0.00 -1.31 -0.34 0.00 -0.03 0.00 0.00 54.58 52.90 2qxg n ASN 38 Cb 0.00 -0.06 -0.14 0.00 -0.61 0.00 0.00 39.78 38.97 2qxg n ASN 38 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2qxg s GLN 39 N 0.00 3.38 0.15 3.52 -1.52 -1.16 -5.08 119.66 118.95 2qxg s GLN 39 Ca 0.00 -0.65 -0.34 0.00 -1.95 0.00 0.00 55.36 52.42 2qxg s GLN 39 Cb 0.00 -2.86 -0.15 0.00 -0.22 0.00 0.00 33.01 29.78 2qxg s GLN 39 CO 0.00 -0.04 1.34 -0.11 -0.25 0.00 0.00 175.29 176.23 2qxg n LEU 40 N 4.31 2.12 -0.02 2.90 7.94 -1.26 -1.93 117.00 131.05 2qxg n LEU 40 Ca -0.18 1.12 -0.05 0.00 -1.11 0.00 0.00 56.01 55.80 2qxg n LEU 40 Cb 0.51 -1.28 -0.02 0.00 0.53 0.00 0.00 43.42 43.16 2qxg n LEU 40 CO 0.30 -0.89 -0.66 1.57 -1.11 0.00 0.00 177.39 176.60 2qxg n HIS 41 N 2.28 0.00 -3.02 1.96 -0.00 0.09 -4.87 115.22 111.65 2qxg n HIS 41 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.88 2qxg n HIS 41 Cb 0.25 -0.17 0.00 0.00 -0.00 0.00 0.00 29.99 30.07 2qxg n HIS 41 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2qxg n GLY 43 N 0.00 3.89 0.00 0.00 0.00 0.11 -1.83 105.19 107.36 2qxg n GLY 43 Ca 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.95 2qxg n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qxg n GLY 44 N 1.94 -1.45 3.11 -0.02 0.00 -0.97 -4.21 105.19 103.58 2qxg n GLY 44 Ca -0.03 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 2qxg n GLY 44 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qxg s VAL 45 N -2.39 0.68 -0.34 1.61 -7.23 -0.39 -0.90 120.40 111.43 2qxg s VAL 45 Ca 0.00 -1.35 -0.20 0.00 -1.81 0.00 0.00 61.98 58.62 2qxg s VAL 45 Cb 0.00 -0.97 -0.00 0.00 0.56 0.00 0.00 36.38 35.97 2qxg s VAL 45 CO 0.00 -0.49 0.62 -0.22 -0.31 0.00 0.00 175.10 174.70 2qxg s LEU 46 N -2.01 4.23 -0.07 1.32 2.96 -0.02 -0.35 118.68 124.75 2qxg s LEU 46 Ca -0.03 0.20 -0.26 0.00 -0.22 0.00 0.00 54.13 53.82 2qxg s LEU 46 Cb -0.06 -2.78 -0.21 0.00 0.50 0.00 0.00 46.19 43.64 2qxg s LEU 46 CO -0.01 -0.56 1.02 0.58 -1.32 0.00 0.00 176.35 176.06 2qxg h VAL 47 N 5.64 1.42 -2.07 1.68 2.07 -1.01 -1.90 116.25 122.07 2qxg h VAL 47 Ca -0.27 -1.54 -0.00 0.00 0.82 0.00 0.00 66.70 65.71 2qxg h VAL 47 Cb 1.11 2.42 -0.00 0.00 -1.52 0.00 0.00 31.29 33.31 2qxg h VAL 47 CO 0.82 0.38 0.01 -0.46 0.02 0.00 0.00 177.57 178.35 2qxg n ASN 48 N -4.78 -0.12 -0.36 0.57 0.23 -1.15 -4.36 115.26 105.29 2qxg n ASN 48 Ca -0.09 -1.10 0.26 0.00 -0.53 0.00 0.00 54.58 53.13 2qxg n ASN 48 Cb 0.33 0.21 0.53 0.00 -2.08 0.00 0.00 39.78 38.77 2qxg n ASN 48 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2qxg h GLU 49 N 0.00 0.31 0.00 -3.83 3.07 -1.95 -2.69 114.58 109.49 2qxg h GLU 49 Ca -0.02 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 2qxg h GLU 49 Cb 0.07 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 27.86 2qxg h GLU 49 CO 0.02 0.20 -0.39 -2.13 -1.40 0.00 0.00 179.01 175.32 2qxg n ARG 50 N -4.74 1.10 -3.76 2.33 0.63 -1.26 0.34 116.66 111.29 2qxg n ARG 50 Ca 0.30 -2.62 -0.14 0.00 -0.92 0.00 0.00 57.85 54.46 2qxg n ARG 50 Cb 1.03 -1.24 -0.15 0.00 0.45 0.00 0.00 32.46 32.54 2qxg n ARG 50 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2qxg s TRP 51 N -2.33 -0.08 -0.04 -0.14 0.52 -1.02 -3.18 118.94 112.67 2qxg s TRP 51 Ca 0.31 0.33 0.05 0.00 0.02 0.00 0.00 56.10 56.81 2qxg s TRP 51 Cb 0.30 -0.15 -0.02 0.00 -1.15 0.00 0.00 33.47 32.45 2qxg s TRP 51 CO -0.04 -0.13 -0.17 0.08 0.02 0.00 0.00 176.95 176.71 2qxg s VAL 52 N 1.11 2.83 0.02 4.03 1.01 0.11 -0.31 120.40 129.20 2qxg s VAL 52 Ca -0.09 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.10 2qxg s VAL 52 Cb -0.12 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 2qxg s VAL 52 CO -0.05 0.58 -0.06 -0.22 0.00 0.00 0.00 175.10 175.35 2qxg s LEU 53 N -0.73 3.18 0.00 3.92 0.20 0.53 -0.12 118.68 125.67 2qxg s LEU 53 Ca 0.11 -0.16 0.00 0.00 0.69 0.00 0.00 54.13 54.77 2qxg s LEU 53 Cb -0.10 -1.84 0.00 0.00 -0.43 0.00 0.00 46.19 43.81 2qxg s LEU 53 CO 0.00 0.27 0.00 1.07 -0.29 0.00 0.00 176.35 177.40 2qxg n THR 54 N 1.43 0.00 -2.93 3.68 5.66 -0.51 -1.26 114.28 120.34 2qxg n THR 54 Ca -0.15 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.49 2qxg n THR 54 Cb 0.52 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.24 2qxg n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qxg s ALA 55 N -1.00 3.30 0.14 1.79 0.00 -1.26 -0.20 121.76 124.54 2qxg s ALA 55 Ca 0.00 0.35 0.19 0.00 0.00 0.00 0.00 51.96 52.50 2qxg s ALA 55 Cb 0.00 -3.01 0.67 0.00 0.00 0.00 0.00 23.12 20.78 2qxg s ALA 55 CO 0.00 0.25 1.72 0.00 0.00 0.00 0.00 175.76 177.73 2qxg h ALA 56 N 3.26 0.97 -0.02 0.00 0.00 -1.72 -2.70 119.26 119.06 2qxg h ALA 56 Ca -0.47 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2qxg h ALA 56 Cb 1.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2qxg h ALA 56 CO 0.65 0.45 0.00 -2.39 0.00 0.00 0.00 179.25 177.96 2qxg n HIS 57 N -3.49 0.02 -0.59 0.00 1.44 -1.26 -2.79 115.22 108.55 2qxg n HIS 57 Ca -0.00 -0.01 0.10 0.00 -2.01 0.00 0.00 57.72 55.79 2qxg n HIS 57 Cb 0.51 0.00 0.34 0.00 0.12 0.00 0.00 29.99 30.97 2qxg n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2qxg n LYS 59 N 1.11 2.15 -3.94 0.00 3.00 -1.12 -5.00 118.16 114.36 2qxg n LYS 59 Ca 0.25 0.76 -0.08 0.00 -0.00 0.00 0.00 58.31 59.24 2qxg n LYS 59 Cb 0.84 -2.40 -0.08 0.00 0.00 0.00 0.00 35.03 33.38 2qxg n LYS 59 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2qxg s MET 60 N -1.03 0.76 0.27 1.64 -1.94 -1.26 -5.05 119.30 112.68 2qxg s MET 60 Ca 0.62 -1.05 0.05 0.00 -1.71 0.00 0.00 55.69 53.60 2qxg s MET 60 Cb -0.60 0.30 0.36 0.00 2.01 0.00 0.00 34.83 36.90 2qxg s MET 60 CO 0.55 -0.21 1.64 -0.97 -0.01 0.00 0.00 175.02 176.02 2qxg h ASN 61 N 2.90 0.32 -3.88 3.03 -0.00 -1.95 -3.45 115.58 112.55 2qxg h ASN 61 Ca -0.34 -0.15 -0.11 0.00 -0.00 0.00 0.00 56.30 55.70 2qxg h ASN 61 Cb 1.18 -0.09 -0.24 0.00 -0.00 0.00 0.00 38.32 39.17 2qxg h ASN 61 CO 0.60 0.74 -0.18 -0.70 -0.00 0.00 0.00 177.43 177.88 2qxg s GLU 62 N -4.06 0.53 0.18 6.67 2.12 -1.26 -4.76 118.70 118.12 2qxg s GLU 62 Ca -0.05 0.64 0.10 0.00 0.36 0.00 0.00 54.97 56.02 2qxg s GLU 62 Cb 0.13 0.25 -0.04 0.00 0.26 0.00 0.00 34.13 34.73 2qxg s GLU 62 CO 0.79 -0.07 -0.21 0.71 -0.54 0.00 0.00 175.26 175.94 2qxg s TYR 63 N 0.28 2.06 -0.37 5.30 1.51 0.20 -4.91 117.35 121.41 2qxg s TYR 63 Ca -0.00 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.68 2qxg s TYR 63 Cb -0.03 -1.02 0.11 0.00 -0.11 0.00 0.00 41.96 40.90 2qxg s TYR 63 CO 0.00 0.42 0.09 0.99 -1.11 0.00 0.00 175.55 175.94 2qxg s THR 64 N -1.85 2.15 0.05 -0.71 2.01 -0.90 -1.01 115.64 115.39 2qxg s THR 64 Ca 0.18 -2.41 -0.28 0.00 0.31 0.00 0.00 61.69 59.49 2qxg s THR 64 Cb -0.07 -2.57 -0.05 0.00 0.01 0.00 0.00 72.50 69.82 2qxg s THR 64 CO 0.08 -0.65 0.90 -0.69 -0.69 0.00 0.00 174.62 173.58 2qxg s VAL 65 N 0.77 4.69 -0.22 3.82 1.01 0.23 -1.63 120.40 129.08 2qxg s VAL 65 Ca 0.12 1.92 -0.08 0.00 0.00 0.00 0.00 61.98 63.94 2qxg s VAL 65 Cb -0.20 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 2qxg s VAL 65 CO -0.08 0.28 0.08 -2.28 0.00 0.00 0.00 175.10 173.10 2qxg s HIS 66 N 0.32 3.19 0.05 5.22 5.65 0.34 -1.40 115.29 128.65 2qxg s HIS 66 Ca 0.46 -0.09 0.01 0.00 0.25 0.00 0.00 55.06 55.69 2qxg s HIS 66 Cb -0.22 -2.17 -0.03 0.00 -1.18 0.00 0.00 32.58 28.98 2qxg s HIS 66 CO 0.27 -0.06 -0.05 -0.51 -0.65 0.00 0.00 174.74 173.74 2qxg s LEU 67 N 0.96 2.37 -0.19 8.88 1.02 -0.50 -2.02 118.68 129.19 2qxg s LEU 67 Ca 0.04 -0.75 -0.01 0.00 0.02 0.00 0.00 54.13 53.43 2qxg s LEU 67 Cb -0.14 0.03 0.00 0.00 0.02 0.00 0.00 46.19 46.10 2qxg s LEU 67 CO 0.03 -0.39 0.10 0.61 0.02 0.00 0.00 176.35 176.72 2qxg n GLY 69 N 0.82 0.58 0.00 -3.19 0.00 -1.26 -0.40 105.19 101.75 2qxg n GLY 69 Ca -0.19 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2qxg n GLY 69 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qxg n SER 70 N 1.12 0.00 0.01 1.61 2.88 -1.26 -4.42 113.62 113.57 2qxg n SER 70 Ca -0.01 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.67 2qxg n SER 70 Cb 0.51 0.00 0.58 0.00 -0.75 0.00 0.00 64.21 64.55 2qxg n SER 70 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2qxg n ASP 71 N 0.00 0.11 -4.34 -3.46 9.92 -1.26 -4.69 116.55 112.83 2qxg n ASP 71 Ca 0.00 0.46 -0.36 0.00 -0.53 0.00 0.00 54.79 54.36 2qxg n ASP 71 Cb 0.00 -0.48 -0.13 0.00 -0.64 0.00 0.00 41.12 39.87 2qxg n ASP 71 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2qxg s THR 72 N -3.01 3.81 0.09 -3.53 2.01 -1.26 -0.86 115.64 112.89 2qxg s THR 72 Ca 0.13 -0.60 -0.31 0.00 0.31 0.00 0.00 61.69 61.22 2qxg s THR 72 Cb 0.18 -2.90 -0.09 0.00 0.01 0.00 0.00 72.50 69.71 2qxg s THR 72 CO 0.55 0.19 1.64 -0.76 -0.69 0.00 0.00 174.62 175.55 2qxg s LEU 73 N 1.50 4.37 0.00 4.42 1.43 -0.25 -1.98 118.68 128.17 2qxg s LEU 73 Ca 0.04 2.52 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 2qxg s LEU 73 Cb -0.16 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.49 2qxg s LEU 73 CO 0.01 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.32 2qxg n GLY 74 N 3.96 0.60 3.70 -3.19 0.00 -1.26 -5.00 105.19 103.99 2qxg n GLY 74 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 2qxg n GLY 74 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qxg n ASP 75 N 0.00 3.18 0.03 1.61 -0.08 -0.84 -4.85 116.55 115.61 2qxg n ASP 75 Ca 0.00 1.13 0.08 0.00 -1.51 0.00 0.00 54.79 54.50 2qxg n ASP 75 Cb 0.00 -1.49 0.36 0.00 2.34 0.00 0.00 41.12 42.33 2qxg n ASP 75 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 2qxg n ARG 76 N 2.28 0.05 0.00 -0.67 1.85 -1.26 -2.50 116.66 116.40 2qxg n ARG 76 Ca 0.11 0.30 0.11 0.00 -1.00 0.00 0.00 57.85 57.37 2qxg n ARG 76 Cb 0.33 -1.60 0.01 0.00 -1.05 0.00 0.00 32.46 30.15 2qxg n ARG 76 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2qxg n ARG 77 N -1.69 1.45 -1.71 2.89 1.74 -1.26 -4.98 116.66 113.10 2qxg n ARG 77 Ca 0.03 -1.11 -0.30 0.00 -0.77 0.00 0.00 57.85 55.70 2qxg n ARG 77 Cb 0.18 -1.44 0.06 0.00 -1.02 0.00 0.00 32.46 30.25 2qxg n ARG 77 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qxg s ALA 80 N -2.28 2.61 -0.16 7.54 0.00 -1.04 -4.97 121.76 123.47 2qxg s ALA 80 Ca 0.19 -0.22 -0.07 0.00 0.00 0.00 0.00 51.96 51.85 2qxg s ALA 80 Cb 0.17 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 2qxg s ALA 80 CO 0.49 -1.37 0.10 -0.65 0.00 0.00 0.00 175.76 174.34 2qxg s GLN 81 N -5.23 3.75 -0.28 0.00 -0.21 0.47 -4.96 119.66 113.20 2qxg s GLN 81 Ca 0.59 -0.24 0.00 0.00 0.02 0.00 0.00 55.36 55.74 2qxg s GLN 81 Cb -0.13 -3.22 0.05 0.00 1.00 0.00 0.00 33.01 30.71 2qxg s GLN 81 CO 0.53 0.51 -0.06 1.03 -2.12 0.00 0.00 175.29 175.18 2qxg s ARG 82 N -0.27 2.38 -0.03 2.91 0.52 -1.26 -1.42 118.95 121.78 2qxg s ARG 82 Ca 0.10 -1.28 0.07 0.00 -0.52 0.00 0.00 55.73 54.10 2qxg s ARG 82 Cb -0.12 -3.03 -0.02 0.00 0.52 0.00 0.00 34.95 32.31 2qxg s ARG 82 CO 0.01 -0.58 -0.25 0.42 0.02 0.00 0.00 175.30 174.92 2qxg s ILE 83 N 1.19 2.01 0.02 1.52 -1.09 -0.50 -4.95 121.20 119.41 2qxg s ILE 83 Ca -0.07 -1.07 -0.06 0.00 -2.23 0.00 0.00 60.65 57.22 2qxg s ILE 83 Cb -0.20 -1.68 -0.05 0.00 -1.58 0.00 0.00 42.46 38.95 2qxg s ILE 83 CO -0.03 0.57 0.27 -0.54 -1.23 0.00 0.00 174.94 173.98 2qxg s LYS 84 N -0.43 3.57 -0.03 2.79 1.02 -1.26 0.74 119.74 126.15 2qxg s LYS 84 Ca 0.05 -0.11 0.03 0.00 0.02 0.00 0.00 55.97 55.95 2qxg s LYS 84 Cb -0.11 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 2qxg s LYS 84 CO 0.01 0.63 -0.09 0.00 -0.92 0.00 0.00 175.35 174.97 2qxg s ALA 85 N -1.35 0.88 -0.07 5.17 0.00 -0.18 -1.64 121.76 124.57 2qxg s ALA 85 Ca 0.29 -0.35 0.08 0.00 0.00 0.00 0.00 51.96 51.99 2qxg s ALA 85 Cb -0.13 -0.32 -0.12 0.00 0.00 0.00 0.00 23.12 22.55 2qxg s ALA 85 CO 0.18 0.15 0.07 0.43 0.00 0.00 0.00 175.76 176.59 2qxg n SER 86 N 3.26 2.76 -4.88 0.00 7.64 -1.26 -0.63 113.62 120.51 2qxg n SER 86 Ca -0.18 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.35 2qxg n SER 86 Cb 0.54 0.88 -0.06 0.00 -1.01 0.00 0.00 64.21 64.57 2qxg n SER 86 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2qxg s LYS 87 N -2.32 3.42 -0.05 1.43 1.02 -1.26 -4.74 119.74 117.23 2qxg s LYS 87 Ca -0.04 -0.23 -0.10 0.00 0.02 0.00 0.00 55.97 55.62 2qxg s LYS 87 Cb 0.03 -3.13 0.02 0.00 -0.52 0.00 0.00 37.83 34.23 2qxg s LYS 87 CO 0.38 0.73 0.25 -1.54 -0.92 0.00 0.00 175.35 174.25 2qxg s SER 88 N -1.44 -0.18 -0.17 2.83 1.04 -1.26 -2.00 113.70 112.52 2qxg s SER 88 Ca 0.20 0.25 -0.00 0.00 0.48 0.00 0.00 55.95 56.88 2qxg s SER 88 Cb -0.12 0.40 0.04 0.00 0.10 0.00 0.00 66.02 66.44 2qxg s SER 88 CO 0.11 -0.25 -0.08 -0.36 0.98 0.00 0.00 173.24 173.64 2qxg s PHE 89 N -0.59 1.93 0.17 5.02 0.40 0.39 -4.94 117.98 120.37 2qxg s PHE 89 Ca -0.07 -1.20 -0.10 0.00 -0.60 0.00 0.00 56.93 54.96 2qxg s PHE 89 Cb -0.04 -1.43 -0.07 0.00 0.51 0.00 0.00 43.02 41.99 2qxg s PHE 89 CO 0.02 -0.65 0.51 1.03 0.70 0.00 0.00 175.22 176.83 2qxg s ARG 90 N 1.56 3.82 0.28 0.44 0.52 -1.26 0.83 118.95 125.13 2qxg s ARG 90 Ca 0.01 0.27 -0.30 0.00 -0.52 0.00 0.00 55.73 55.19 2qxg s ARG 90 Cb -0.15 -2.80 -0.12 0.00 0.52 0.00 0.00 34.95 32.40 2qxg s ARG 90 CO -0.08 0.42 1.62 1.58 0.02 0.00 0.00 175.30 178.85 2qxg n HIS 91 N 0.31 2.83 0.02 -0.53 -0.00 -1.09 -4.86 115.22 111.90 2qxg n HIS 91 Ca -0.03 0.22 0.11 0.00 -0.00 0.00 0.00 57.72 58.02 2qxg n HIS 91 Cb 0.52 -2.61 0.55 0.00 -0.00 0.00 0.00 29.99 28.45 2qxg n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2qxg h PRO 92 N 5.13 0.27 -0.03 1.57 0.13 -1.94 -2.33 132.00 134.80 2qxg h PRO 92 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2qxg h PRO 92 Cb 1.22 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2qxg h PRO 92 CO 0.82 0.18 0.00 0.41 -0.23 0.00 0.00 178.00 179.18 2qxg n GLY 93 N -1.54 -0.82 3.76 1.56 0.00 -1.26 -4.92 105.19 101.97 2qxg n GLY 93 Ca 0.06 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 2qxg n GLY 93 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qxg s TYR 94 N -1.96 2.47 -0.12 1.61 5.04 -0.88 -4.64 117.35 118.87 2qxg s TYR 94 Ca 0.21 1.48 0.01 0.00 -2.44 0.00 0.00 57.07 56.33 2qxg s TYR 94 Cb 0.10 -3.55 0.02 0.00 0.35 0.00 0.00 41.96 38.88 2qxg s TYR 94 CO 0.16 -2.24 -0.12 0.45 -1.34 0.00 0.00 175.55 172.46 2qxg s SER 95 N -1.36 2.38 0.00 4.32 0.15 -1.05 -4.95 113.70 113.19 2qxg s SER 95 Ca 0.73 -0.40 0.17 0.00 0.70 0.00 0.00 55.95 57.15 2qxg s SER 95 Cb -0.33 -1.02 0.98 0.00 -1.71 0.00 0.00 66.02 63.94 2qxg s SER 95 CO 0.38 -0.05 1.44 0.35 1.20 0.00 0.00 173.24 176.56 2qxg n THR 96 N 4.58 0.14 -0.07 6.45 -2.24 -1.26 0.03 114.28 121.90 2qxg n THR 96 Ca -0.17 0.03 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 2qxg n THR 96 Cb 0.50 -0.76 -0.06 0.00 -2.10 0.00 0.00 70.33 67.91 2qxg n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qxg n GLN 97 N -1.07 0.32 -0.01 -0.78 1.13 -1.26 -4.73 117.38 110.98 2qxg n GLN 97 Ca 0.12 0.10 0.11 0.00 -1.94 0.00 0.00 57.00 55.39 2qxg n GLN 97 Cb 0.08 -1.16 -0.16 0.00 0.11 0.00 0.00 30.24 29.11 2qxg n GLN 97 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2qxg n THR 98 N -3.24 0.00 -2.30 5.09 -2.24 -1.22 -5.00 114.28 105.38 2qxg n THR 98 Ca -0.26 -0.45 -0.14 0.00 -2.27 0.00 0.00 64.05 60.92 2qxg n THR 98 Cb 0.73 0.09 -0.00 0.00 -2.10 0.00 0.00 70.33 69.05 2qxg n THR 98 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2qxg n HIS 99 N -2.19 -0.72 -2.99 4.78 8.25 0.10 -5.00 115.22 117.46 2qxg n HIS 99 Ca -0.03 0.02 -0.33 0.00 -0.26 0.00 0.00 57.72 57.12 2qxg n HIS 99 Cb 0.55 -3.04 -0.07 0.00 1.12 0.00 0.00 29.99 28.55 2qxg n HIS 99 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2qxg s VAL 100 N -2.72 4.53 -1.36 1.59 0.11 -1.26 -3.71 120.40 117.58 2qxg s VAL 100 Ca 0.01 1.23 -0.07 0.00 -2.93 0.00 0.00 61.98 60.22 2qxg s VAL 100 Cb -0.01 -3.63 0.02 0.00 -1.53 0.00 0.00 36.38 31.23 2qxg s VAL 100 CO 0.02 -0.21 1.05 0.59 -3.33 0.00 0.00 175.10 173.22 2qxg n ASN 101 N -0.39 -4.63 -4.15 3.54 3.02 -1.26 -2.51 115.26 108.87 2qxg n ASN 101 Ca 0.05 -0.64 -0.43 0.00 -0.03 0.00 0.00 54.58 53.53 2qxg n ASN 101 Cb 0.53 -4.69 0.00 0.00 -0.61 0.00 0.00 39.78 35.01 2qxg n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2qxg n ASP 102 N -3.00 4.54 -4.00 6.41 2.03 -1.24 -4.15 116.55 117.13 2qxg n ASP 102 Ca -0.07 -2.91 -0.09 0.00 0.52 0.00 0.00 54.79 52.24 2qxg n ASP 102 Cb 0.59 -1.67 -0.10 0.00 -0.72 0.00 0.00 41.12 39.21 2qxg n ASP 102 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2qxg s LEU 103 N 2.73 2.18 -0.12 -2.67 2.34 -1.26 -3.80 118.68 118.08 2qxg s LEU 103 Ca 0.49 -0.66 -0.20 0.00 0.06 0.00 0.00 54.13 53.82 2qxg s LEU 103 Cb 0.08 0.28 0.05 0.00 -0.56 0.00 0.00 46.19 46.04 2qxg s LEU 103 CO -0.00 -0.45 0.49 -0.32 -1.06 0.00 0.00 176.35 175.01 2qxg s MET 104 N -2.56 0.70 -0.16 1.48 1.75 0.73 -2.67 119.30 118.57 2qxg s MET 104 Ca -0.06 0.40 -0.06 0.00 -1.25 0.00 0.00 55.69 54.72 2qxg s MET 104 Cb -0.02 0.33 -0.04 0.00 2.84 0.00 0.00 34.83 37.95 2qxg s MET 104 CO -0.05 -0.15 0.05 -0.51 -0.65 0.00 0.00 175.02 173.71 2qxg s LEU 105 N -0.41 3.77 -0.14 4.11 1.43 0.24 -1.43 118.68 126.26 2qxg s LEU 105 Ca -0.05 0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 53.14 2qxg s LEU 105 Cb -0.03 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 2qxg s LEU 105 CO 0.03 0.22 -0.14 -0.69 0.23 0.00 0.00 176.35 176.00 2qxg s VAL 106 N 0.10 2.87 -0.30 -1.59 1.01 0.84 0.15 120.40 123.48 2qxg s VAL 106 Ca 0.04 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 2qxg s VAL 106 Cb -0.12 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2qxg s VAL 106 CO 0.01 0.52 0.28 -0.75 0.00 0.00 0.00 175.10 175.15 2qxg s LYS 107 N 0.60 3.84 0.25 2.72 2.20 -0.85 -0.71 119.74 127.79 2qxg s LYS 107 Ca -0.08 -0.28 -0.30 0.00 -0.36 0.00 0.00 55.97 54.95 2qxg s LYS 107 Cb -0.16 -3.70 -0.09 0.00 -1.51 0.00 0.00 37.83 32.37 2qxg s LYS 107 CO 0.03 -0.30 1.25 -0.51 -0.36 0.00 0.00 175.35 175.46 2qxg s LEU 108 N 1.89 4.45 0.51 5.43 1.43 -1.19 -4.17 118.68 127.03 2qxg s LEU 108 Ca 0.10 2.43 0.17 0.00 -1.03 0.00 0.00 54.13 55.80 2qxg s LEU 108 Cb -0.16 -3.62 1.25 0.00 0.03 0.00 0.00 46.19 43.68 2qxg s LEU 108 CO 0.11 -0.43 2.11 0.78 0.23 0.00 0.00 176.35 179.15 2qxg h ASN 109 N 4.49 0.06 -4.76 2.29 4.21 -1.69 -3.42 115.58 116.76 2qxg h ASN 109 Ca -0.46 -0.00 -0.20 0.00 1.21 0.00 0.00 56.30 56.84 2qxg h ASN 109 Cb 1.22 -0.01 -0.22 0.00 -1.12 0.00 0.00 38.32 38.18 2qxg h ASN 109 CO 0.71 0.04 -0.71 -0.94 -1.29 0.00 0.00 177.43 175.24 2qxg s SER 110 N -6.85 0.36 0.30 5.81 1.04 -1.26 -5.11 113.70 107.99 2qxg s SER 110 Ca -0.05 -0.44 -0.30 0.00 0.48 0.00 0.00 55.95 55.64 2qxg s SER 110 Cb 0.18 0.07 -0.12 0.00 0.10 0.00 0.00 66.02 66.24 2qxg s SER 110 CO 0.69 -0.23 1.48 1.67 0.98 0.00 0.00 173.24 177.83 2qxg n GLN 111 N 1.78 2.44 -2.76 4.02 7.27 -1.26 -4.90 117.38 123.96 2qxg n GLN 111 Ca -0.22 0.86 -0.42 0.00 0.07 0.00 0.00 57.00 57.30 2qxg n GLN 111 Cb 0.56 -2.57 -0.03 0.00 2.41 0.00 0.00 30.24 30.60 2qxg n GLN 111 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2qxg s ALA 112 N -0.38 3.20 -0.52 1.69 0.00 0.15 -4.98 121.76 120.91 2qxg s ALA 112 Ca 0.62 0.49 -0.28 0.00 0.00 0.00 0.00 51.96 52.78 2qxg s ALA 112 Cb -0.54 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.31 2qxg s ALA 112 CO 0.54 -0.19 1.40 0.50 0.00 0.00 0.00 175.76 178.01 2qxg s ARG 113 N 0.86 3.38 0.32 0.00 3.52 -1.26 -4.74 118.95 121.03 2qxg s ARG 113 Ca 0.49 0.57 -0.29 0.00 -0.13 0.00 0.00 55.73 56.37 2qxg s ARG 113 Cb -0.21 -4.09 -0.10 0.00 -1.56 0.00 0.00 34.95 28.99 2qxg s ARG 113 CO 0.27 -1.83 1.33 -0.51 -0.81 0.00 0.00 175.30 173.75 2qxg s LEU 114 N 5.85 4.42 0.00 -0.88 1.43 -1.26 -4.81 118.68 123.43 2qxg s LEU 114 Ca 0.54 2.69 0.00 0.00 -1.03 0.00 0.00 54.13 56.33 2qxg s LEU 114 Cb -0.11 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.46 2qxg s LEU 114 CO 0.27 -0.57 0.00 -1.54 0.23 0.00 0.00 176.35 174.74 2qxg n SER 115 N 1.05 0.00 0.07 2.29 3.41 -0.52 -4.95 113.62 114.96 2qxg n SER 115 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.51 2qxg n SER 115 Cb 0.41 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.35 2qxg n SER 115 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2qxg h SER 116 N 0.00 0.41 0.14 4.04 4.64 -2.01 -3.22 113.55 117.55 2qxg h SER 116 Ca 0.00 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2qxg h SER 116 Cb 0.00 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2qxg h SER 116 CO 0.00 1.10 -0.33 0.23 -0.87 0.00 0.00 176.83 176.96 2qxg n MET 117 N -3.73 0.99 -3.84 4.77 2.81 -1.26 -4.79 117.12 112.06 2qxg n MET 117 Ca -0.05 -0.68 -0.29 0.00 -1.81 0.00 0.00 57.70 54.87 2qxg n MET 117 Cb 0.80 -1.49 -0.16 0.00 -0.71 0.00 0.00 33.22 31.66 2qxg n MET 117 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2qxg s VAL 118 N -2.48 1.07 0.27 2.03 1.01 -1.22 -4.12 120.40 116.97 2qxg s VAL 118 Ca 0.23 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.27 2qxg s VAL 118 Cb 0.19 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 2qxg s VAL 118 CO 0.53 -0.18 0.13 -0.54 0.00 0.00 0.00 175.10 175.05 2qxg s LYS 119 N 1.60 1.48 0.17 2.72 1.02 -0.83 -1.44 119.74 124.46 2qxg s LYS 119 Ca -0.03 -1.82 -0.14 0.00 0.02 0.00 0.00 55.97 54.01 2qxg s LYS 119 Cb -0.18 -0.12 -0.07 0.00 -0.52 0.00 0.00 37.83 36.94 2qxg s LYS 119 CO -0.08 -0.38 0.56 0.15 -0.92 0.00 0.00 175.35 174.68 2qxg s LYS 120 N -3.94 3.95 0.50 1.68 1.02 -1.26 -3.86 119.74 117.83 2qxg s LYS 120 Ca 0.37 0.46 -0.18 0.00 0.02 0.00 0.00 55.97 56.64 2qxg s LYS 120 Cb 0.06 -2.86 -0.08 0.00 -0.52 0.00 0.00 37.83 34.43 2qxg s LYS 120 CO 0.15 0.43 1.00 0.54 -0.92 0.00 0.00 175.35 176.55 2qxg s VAL 121 N -1.55 4.23 -0.54 3.17 0.11 -0.72 -4.88 120.40 120.22 2qxg s VAL 121 Ca 0.40 1.22 -0.20 0.00 -2.93 0.00 0.00 61.98 60.47 2qxg s VAL 121 Cb -0.14 -3.58 0.07 0.00 -1.53 0.00 0.00 36.38 31.20 2qxg s VAL 121 CO 0.20 -0.47 0.69 -0.60 -3.33 0.00 0.00 175.10 171.59 2qxg s ARG 122 N -3.67 3.12 0.63 1.54 3.52 -1.26 -4.94 118.95 117.89 2qxg s ARG 122 Ca 0.62 -0.95 -0.17 0.00 -0.13 0.00 0.00 55.73 55.10 2qxg s ARG 122 Cb -0.12 -4.15 -0.01 0.00 -1.56 0.00 0.00 34.95 29.11 2qxg s ARG 122 CO 0.25 -1.37 1.16 -0.51 -0.81 0.00 0.00 175.30 174.02 2qxg s LEU 123 N 2.84 3.52 0.75 -0.88 1.43 -1.26 -1.18 118.68 123.90 2qxg s LEU 123 Ca 0.16 2.22 -0.11 0.00 -1.03 0.00 0.00 54.13 55.37 2qxg s LEU 123 Cb -0.20 -4.58 0.04 0.00 0.03 0.00 0.00 46.19 41.48 2qxg s LEU 123 CO 0.11 -1.67 1.08 -2.16 0.23 0.00 0.00 176.35 173.93 2qxg s PRO 124 N -3.68 2.48 0.00 1.29 0.04 -1.25 -4.72 135.00 129.16 2qxg s PRO 124 Ca 0.73 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2qxg s PRO 124 Cb -0.26 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2qxg s PRO 124 CO 0.37 -1.44 0.19 -1.13 0.04 0.00 0.00 177.00 175.02 2qxg n SER 125 N -3.37 0.37 -3.58 6.66 3.41 -1.26 -4.96 113.62 110.89 2qxg n SER 125 Ca 0.08 -0.89 -0.12 0.00 -0.26 0.00 0.00 58.87 57.68 2qxg n SER 125 Cb 0.54 0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.50 2qxg n SER 125 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2qxg s ARG 127 N -0.06 1.08 -0.19 4.33 3.52 -1.26 -5.15 118.95 121.21 2qxg s ARG 127 Ca 0.00 -0.48 -0.13 0.00 -0.13 0.00 0.00 55.73 54.99 2qxg s ARG 127 Cb 0.00 0.48 -0.05 0.00 -1.56 0.00 0.00 34.95 33.83 2qxg s ARG 127 CO 0.00 -0.42 0.28 0.00 -0.81 0.00 0.00 175.30 174.35 2qxg s GLU 129 N 0.79 4.67 1.01 0.00 0.41 -1.26 -5.06 118.70 119.27 2qxg s GLU 129 Ca 0.14 1.29 -0.15 0.00 -0.41 0.00 0.00 54.97 55.84 2qxg s GLU 129 Cb -0.13 -3.28 0.20 0.00 -1.78 0.00 0.00 34.13 29.14 2qxg s GLU 129 CO 0.04 0.52 1.18 -1.25 -0.49 0.00 0.00 175.26 175.26 2qxg s PRO 130 N -1.03 0.29 0.67 0.39 0.04 -1.26 -4.99 135.00 129.11 2qxg s PRO 130 Ca 0.38 0.01 -0.17 0.00 0.04 0.00 0.00 61.00 61.27 2qxg s PRO 130 Cb -0.24 -1.77 0.01 0.00 0.04 0.00 0.00 34.50 32.54 2qxg s PRO 130 CO 0.28 -2.72 1.21 -2.14 0.04 0.00 0.00 177.00 173.67 2qxg s PRO 132 N -5.46 2.52 0.00 0.56 0.02 -1.26 -3.23 135.00 128.14 2qxg s PRO 132 Ca 0.69 1.78 0.00 0.00 0.02 0.00 0.00 61.00 63.48 2qxg s PRO 132 Cb -0.11 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.54 2qxg s PRO 132 CO 0.54 -1.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.07 2qxg n GLY 133 N 0.40 2.92 3.68 0.52 0.00 -0.81 -4.98 105.19 106.92 2qxg n GLY 133 Ca 0.13 -0.19 -0.45 0.00 0.00 0.00 0.00 46.02 45.51 2qxg n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qxg n THR 134 N 0.00 0.23 -2.56 2.61 -1.04 -1.20 -4.65 114.28 107.67 2qxg n THR 134 Ca 0.00 -0.04 -0.38 0.00 -2.04 0.00 0.00 64.05 61.59 2qxg n THR 134 Cb 0.00 -1.79 -0.05 0.00 -1.82 0.00 0.00 70.33 66.67 2qxg n THR 134 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2qxg s THR 135 N 2.13 3.72 0.33 12.58 2.01 -1.26 -2.06 115.64 133.09 2qxg s THR 135 Ca 0.83 1.50 0.07 0.00 0.31 0.00 0.00 61.69 64.39 2qxg s THR 135 Cb -0.62 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 67.99 2qxg s THR 135 CO 0.41 0.19 0.25 0.00 -0.69 0.00 0.00 174.62 174.78 2qxg s THR 137 N -3.45 -0.02 0.01 0.00 2.01 -0.73 -1.95 115.64 111.51 2qxg s THR 137 Ca 0.39 0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.52 2qxg s THR 137 Cb 0.03 -0.17 -0.02 0.00 0.01 0.00 0.00 72.50 72.35 2qxg s THR 137 CO 0.25 0.03 -0.17 0.54 -0.69 0.00 0.00 174.62 174.59 2qxg s VAL 138 N 0.51 1.35 0.13 3.82 0.11 -0.98 -1.50 120.40 123.84 2qxg s VAL 138 Ca -0.04 -0.87 0.03 0.00 -2.93 0.00 0.00 61.98 58.17 2qxg s VAL 138 Cb -0.05 -1.15 -0.04 0.00 -1.53 0.00 0.00 36.38 33.60 2qxg s VAL 138 CO -0.02 0.27 -0.08 -0.94 -3.33 0.00 0.00 175.10 171.00 2qxg s SER 139 N -0.70 1.49 0.00 3.54 1.04 -1.22 -2.80 113.70 115.05 2qxg s SER 139 Ca 0.06 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.46 2qxg s SER 139 Cb -0.07 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.09 2qxg s SER 139 CO 0.00 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.42 2qxg n GLY 140 N -0.14 0.24 1.11 7.32 0.00 -0.88 -4.42 105.19 108.42 2qxg n GLY 140 Ca -0.11 -0.97 0.08 0.00 0.00 0.00 0.00 46.02 45.02 2qxg n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2qxg n TRP 141 N -0.30 1.20 -0.73 1.61 8.01 -1.26 -1.53 117.44 124.43 2qxg n TRP 141 Ca 0.00 -0.87 -0.29 0.00 -1.31 0.00 0.00 57.50 55.03 2qxg n TRP 141 Cb 0.00 -0.36 0.24 0.00 -2.01 0.00 0.00 31.31 29.18 2qxg n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2qxg s GLY 142 N -1.71 1.53 0.45 6.99 0.00 -1.25 -4.31 107.32 109.02 2qxg s GLY 142 Ca 0.45 -0.42 -0.25 0.00 0.00 0.00 0.00 44.72 44.50 2qxg s GLY 142 CO 0.10 0.35 1.44 -0.37 0.00 0.00 0.00 173.10 174.63 2qxg n THR 143 N -4.86 2.81 0.44 0.90 5.66 -0.14 -3.40 114.28 115.69 2qxg n THR 143 Ca 0.06 -0.50 0.11 0.00 -3.05 0.00 0.00 64.05 60.67 2qxg n THR 143 Cb 0.57 -1.86 0.25 0.00 -1.55 0.00 0.00 70.33 67.73 2qxg n THR 143 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2qxg n THR 144 N -0.21 0.49 -4.28 1.09 -2.24 -0.12 -1.90 114.28 107.11 2qxg n THR 144 Ca 0.05 -0.69 -0.15 0.00 -2.27 0.00 0.00 64.05 60.99 2qxg n THR 144 Cb 0.41 0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 69.36 2qxg n THR 144 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2qxg s THR 145 N -1.51 0.33 -0.30 4.28 -4.23 -1.26 -4.62 115.64 108.33 2qxg s THR 145 Ca 0.38 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.64 2qxg s THR 145 Cb 0.22 -2.57 0.19 0.00 1.34 0.00 0.00 72.50 71.68 2qxg s THR 145 CO 0.30 0.00 1.44 -0.55 -0.54 0.00 0.00 174.62 175.27 2qxg s SER 146 N -3.28 -0.06 0.34 3.99 0.15 -1.26 -4.56 113.70 109.02 2qxg s SER 146 Ca 0.38 0.11 0.25 0.00 0.70 0.00 0.00 55.95 57.40 2qxg s SER 146 Cb 0.07 0.11 1.19 0.00 -1.71 0.00 0.00 66.02 65.69 2qxg s SER 146 CO 0.14 -0.02 1.77 1.55 1.20 0.00 0.00 173.24 177.88 2qxg h PRO 147 N 3.14 0.00 -7.11 5.44 0.13 -1.95 -3.44 132.00 128.21 2qxg h PRO 147 Ca -0.27 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.33 2qxg h PRO 147 Cb 1.20 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.45 2qxg h PRO 147 CO 0.18 0.00 0.46 -0.51 -0.23 0.00 0.00 178.00 177.90 2qxg s ASP 148 N -4.38 5.05 -0.10 1.44 1.11 -1.26 -5.01 116.67 113.51 2qxg s ASP 148 Ca 0.01 2.37 -0.02 0.00 0.18 0.00 0.00 52.55 55.09 2qxg s ASP 148 Cb 0.08 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.45 2qxg s ASP 148 CO 0.34 -1.69 -0.03 -0.69 1.18 0.00 0.00 175.17 174.29 2qxg s VAL 149 N -1.67 4.05 -0.28 -1.27 1.01 -1.26 -4.33 120.40 116.65 2qxg s VAL 149 Ca 0.77 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.42 2qxg s VAL 149 Cb -0.30 -2.71 0.17 0.00 0.00 0.00 0.00 36.38 33.54 2qxg s VAL 149 CO 0.35 0.57 0.52 -0.89 0.00 0.00 0.00 175.10 175.65 2qxg s THR 150 N -0.48 -0.86 -0.25 3.92 2.01 -1.26 -4.97 115.64 113.75 2qxg s THR 150 Ca 0.08 -0.05 -0.14 0.00 0.31 0.00 0.00 61.69 61.89 2qxg s THR 150 Cb -0.12 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 2qxg s THR 150 CO 0.02 -0.06 0.31 -0.36 -0.69 0.00 0.00 174.62 173.84 2qxg s PHE 151 N 2.74 3.29 0.63 4.92 0.08 -1.26 -0.94 117.98 127.44 2qxg s PHE 151 Ca 0.16 0.38 -0.10 0.00 0.12 0.00 0.00 56.93 57.49 2qxg s PHE 151 Cb -0.14 -2.46 -0.02 0.00 -0.57 0.00 0.00 43.02 39.83 2qxg s PHE 151 CO -0.22 -0.09 1.02 -1.25 -0.10 0.00 0.00 175.22 174.58 2qxg s PRO 152 N 1.60 3.32 0.04 0.24 0.04 -1.26 -4.99 135.00 133.98 2qxg s PRO 152 Ca 0.13 0.55 0.21 0.00 0.04 0.00 0.00 61.00 61.93 2qxg s PRO 152 Cb -0.15 -2.11 -0.19 0.00 0.04 0.00 0.00 34.50 32.09 2qxg s PRO 152 CO 0.08 -0.68 0.67 0.43 0.04 0.00 0.00 177.00 177.53 2qxg n SER 153 N -2.77 0.40 -4.64 6.66 7.64 -1.26 -4.92 113.62 114.74 2qxg n SER 153 Ca 0.06 0.16 -0.33 0.00 1.01 0.00 0.00 58.87 59.77 2qxg n SER 153 Cb 0.55 1.12 -0.10 0.00 -1.01 0.00 0.00 64.21 64.77 2qxg n SER 153 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2qxg s ASP 154 N -5.08 4.93 0.25 6.43 1.11 -1.26 -1.09 116.67 121.96 2qxg s ASP 154 Ca -0.05 -0.01 -0.31 0.00 0.18 0.00 0.00 52.55 52.36 2qxg s ASP 154 Cb 0.11 -1.27 -0.12 0.00 1.07 0.00 0.00 42.92 42.70 2qxg s ASP 154 CO 0.85 0.32 1.56 -0.11 1.18 0.00 0.00 175.17 178.97 2qxg n LEU 155 N 1.75 3.82 -4.78 1.23 7.94 -0.04 -4.87 117.00 122.05 2qxg n LEU 155 Ca -0.16 1.13 -0.29 0.00 -1.11 0.00 0.00 56.01 55.57 2qxg n LEU 155 Cb 0.53 -1.53 -0.06 0.00 0.53 0.00 0.00 43.42 42.89 2qxg n LEU 155 CO 0.31 -0.07 -0.25 -0.04 -1.11 0.00 0.00 177.39 176.23 2qxg s MET 156 N -0.06 2.90 0.19 1.96 -1.94 -0.58 -1.08 119.30 120.68 2qxg s MET 156 Ca 0.68 -0.73 0.06 0.00 -1.71 0.00 0.00 55.69 54.00 2qxg s MET 156 Cb -0.56 -2.71 -0.05 0.00 2.01 0.00 0.00 34.83 33.52 2qxg s MET 156 CO 0.45 0.55 -0.12 0.00 -0.01 0.00 0.00 175.02 175.89 2qxg s VAL 158 N -3.13 0.00 -0.09 0.00 0.11 -1.12 -1.02 120.40 115.15 2qxg s VAL 158 Ca 0.21 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.13 2qxg s VAL 158 Cb 0.01 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.81 2qxg s VAL 158 CO 0.05 0.00 0.32 -1.81 -3.33 0.00 0.00 175.10 170.32 2qxg s ASP 159 N 0.19 6.57 0.10 3.54 1.01 -1.26 -2.32 116.67 124.50 2qxg s ASP 159 Ca 0.04 0.68 -0.03 0.00 0.71 0.00 0.00 52.55 53.95 2qxg s ASP 159 Cb -0.05 -2.19 -0.03 0.00 1.01 0.00 0.00 42.92 41.66 2qxg s ASP 159 CO -0.08 0.23 0.07 0.68 0.21 0.00 0.00 175.17 176.28 2qxg s VAL 160 N -0.34 0.14 0.01 -1.27 -7.23 -0.82 -4.83 120.40 106.06 2qxg s VAL 160 Ca 0.19 -1.73 0.06 0.00 -1.81 0.00 0.00 61.98 58.69 2qxg s VAL 160 Cb -0.14 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 35.02 2qxg s VAL 160 CO 0.08 -0.66 -0.16 -0.54 -0.31 0.00 0.00 175.10 173.51 2qxg s LYS 161 N -3.97 2.27 0.30 4.82 1.02 -0.89 0.34 119.74 123.63 2qxg s LYS 161 Ca 0.15 -0.86 -0.29 0.00 0.02 0.00 0.00 55.97 54.99 2qxg s LYS 161 Cb 0.07 -2.28 -0.10 0.00 -0.52 0.00 0.00 37.83 35.00 2qxg s LYS 161 CO -0.04 0.57 1.33 -0.51 -0.92 0.00 0.00 175.35 175.78 2qxg s LEU 162 N -1.19 4.42 -0.08 3.17 1.43 -0.87 -1.03 118.68 124.52 2qxg s LEU 162 Ca 0.14 2.66 0.00 0.00 -1.03 0.00 0.00 54.13 55.90 2qxg s LEU 162 Cb -0.11 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 2qxg s LEU 162 CO 0.04 -0.56 -0.07 -0.63 0.23 0.00 0.00 176.35 175.36 2qxg s ILE 163 N -0.83 3.65 0.35 -0.59 1.01 0.11 -1.93 121.20 122.97 2qxg s ILE 163 Ca 0.51 -0.49 -0.29 0.00 0.00 0.00 0.00 60.65 60.39 2qxg s ILE 163 Cb -0.40 -2.50 -0.11 0.00 0.01 0.00 0.00 42.46 39.46 2qxg s ILE 163 CO 0.50 0.58 1.47 -0.94 0.00 0.00 0.00 174.94 176.55 2qxg s SER 164 N -0.62 6.43 0.51 3.58 1.04 -1.26 -4.21 113.70 119.17 2qxg s SER 164 Ca 0.09 2.96 0.29 0.00 0.48 0.00 0.00 55.95 59.78 2qxg s SER 164 Cb -0.12 -2.66 1.41 0.00 0.10 0.00 0.00 66.02 64.76 2qxg s SER 164 CO 0.02 -0.82 1.87 -0.65 0.98 0.00 0.00 173.24 174.64 2qxg h PRO 165 N 3.44 0.07 -0.01 4.02 0.11 -1.97 0.27 132.00 137.94 2qxg h PRO 165 Ca -0.50 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 2qxg h PRO 165 Cb 1.23 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2qxg h PRO 165 CO 0.67 0.05 -0.56 1.96 -0.21 0.00 0.00 178.00 179.91 2qxg h GLN 166 N 0.08 0.03 0.18 1.05 7.50 -2.00 -2.38 115.11 119.56 2qxg h GLN 166 Ca 0.45 -0.02 -0.33 0.00 0.50 0.00 0.00 58.65 59.25 2qxg h GLN 166 Cb 1.66 0.00 0.01 0.00 0.05 0.00 0.00 27.48 29.20 2qxg h GLN 166 CO -0.04 0.58 -1.65 -0.44 -1.50 0.00 0.00 178.83 175.78 2qxg h ASP 167 N 0.02 0.60 -0.12 1.46 3.32 -0.88 -3.35 116.42 117.47 2qxg h ASP 167 Ca -0.00 -0.93 -0.04 0.00 0.02 0.00 0.00 57.03 56.08 2qxg h ASP 167 Cb 1.00 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 2qxg h ASP 167 CO 0.07 1.75 -0.03 0.00 -1.72 0.00 0.00 179.24 179.31 2qxg h THR 169 N 0.35 1.17 0.00 0.00 2.02 -1.56 -1.07 112.91 113.82 2qxg h THR 169 Ca 0.08 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.48 2qxg h THR 169 Cb 0.28 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2qxg h THR 169 CO 0.01 0.23 0.00 0.11 0.37 0.00 0.00 175.52 176.24 2qxg h LYS 170 N 0.05 0.00 0.00 6.66 1.57 -1.53 0.26 116.57 123.57 2qxg h LYS 170 Ca 0.01 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.42 2qxg h LYS 170 Cb 0.40 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.65 2qxg h LYS 170 CO 0.03 0.00 -2.34 0.28 -0.57 0.00 0.00 179.45 176.85 2qxg n VAL 171 N -2.81 1.34 0.18 0.50 0.31 -0.47 -4.75 118.33 112.62 2qxg n VAL 171 Ca -0.02 -0.45 0.07 0.00 -0.01 0.00 0.00 64.34 63.94 2qxg n VAL 171 Cb 0.10 -1.50 -0.11 0.00 -0.91 0.00 0.00 33.84 31.42 2qxg n VAL 171 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2qxg n TYR 172 N -3.51 0.00 0.00 3.52 0.53 -0.79 -5.06 117.16 111.85 2qxg n TYR 172 Ca -0.44 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.44 2qxg n TYR 172 Cb 0.90 -0.25 0.00 0.00 -1.03 0.00 0.00 39.34 38.96 2qxg n TYR 172 CO 0.00 0.00 0.00 1.63 -1.02 0.00 0.00 176.86 177.47 2qxg n LYS 173 N -1.84 0.00 -0.29 -0.72 4.76 0.89 -1.99 118.16 118.97 2qxg n LYS 173 Ca -0.01 0.00 0.32 0.00 -2.87 0.00 0.00 58.31 55.75 2qxg n LYS 173 Cb 0.35 0.00 0.71 0.00 -1.84 0.00 0.00 35.03 34.24 2qxg n LYS 173 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2qxg h ASP 174 N 0.00 0.08 0.00 4.39 5.19 -1.97 -2.65 116.42 121.45 2qxg h ASP 174 Ca 0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2qxg h ASP 174 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2qxg h ASP 174 CO 0.00 0.01 0.00 0.18 -3.12 0.00 0.00 179.24 176.31 2qxg n LEU 175 N -4.27 0.78 -3.79 1.55 4.77 -0.84 -4.68 117.00 110.51 2qxg n LEU 175 Ca 0.24 -0.39 -0.19 0.00 -0.03 0.00 0.00 56.01 55.64 2qxg n LEU 175 Cb 1.13 -0.20 -0.17 0.00 -2.33 0.00 0.00 43.42 41.85 2qxg n LEU 175 CO 0.38 0.15 -0.37 -0.76 -1.33 0.00 0.00 177.39 175.45 2qxg s LEU 176 N 0.00 0.90 0.19 2.23 1.43 -1.00 -5.02 118.68 117.41 2qxg s LEU 176 Ca 0.00 -0.03 0.09 0.00 -1.03 0.00 0.00 54.13 53.16 2qxg s LEU 176 Cb 0.00 -0.27 -0.04 0.00 0.03 0.00 0.00 46.19 45.90 2qxg s LEU 176 CO 0.00 -0.14 -0.10 -1.61 0.23 0.00 0.00 176.35 174.73 2qxg s GLU 177 N 1.39 2.04 0.50 1.70 2.02 -1.26 -5.01 118.70 120.07 2qxg s GLU 177 Ca -0.05 -1.32 0.15 0.00 0.02 0.00 0.00 54.97 53.78 2qxg s GLU 177 Cb -0.13 -2.13 0.82 0.00 0.10 0.00 0.00 34.13 32.79 2qxg s GLU 177 CO -0.03 0.42 1.39 -0.91 0.02 0.00 0.00 175.26 176.16 2qxg h ASN 178 N 2.80 0.00 0.02 -0.19 2.35 -2.01 0.21 115.58 118.76 2qxg h ASN 178 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 2qxg h ASN 178 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.58 2qxg h ASN 178 CO 0.55 0.00 -0.05 -1.20 -1.65 0.00 0.00 177.43 175.08 2qxg n SER 179 N -2.38 1.63 -4.88 5.81 7.64 -1.26 -4.88 113.62 115.30 2qxg n SER 179 Ca -0.01 -1.47 -0.36 0.00 1.01 0.00 0.00 58.87 58.03 2qxg n SER 179 Cb 0.51 0.03 -0.06 0.00 -1.01 0.00 0.00 64.21 63.69 2qxg n SER 179 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2qxg s MET 180 N -2.09 3.52 0.08 1.43 -1.94 0.73 -1.39 119.30 119.64 2qxg s MET 180 Ca 0.34 -0.08 0.10 0.00 -1.71 0.00 0.00 55.69 54.34 2qxg s MET 180 Cb 0.21 -3.17 -0.03 0.00 2.01 0.00 0.00 34.83 33.84 2qxg s MET 180 CO 0.36 0.74 -0.26 -1.17 -0.01 0.00 0.00 175.02 174.69 2qxg s LEU 181 N -1.24 2.28 0.13 -0.03 2.96 0.14 -4.81 118.68 118.10 2qxg s LEU 181 Ca 0.19 -0.63 0.11 0.00 -0.22 0.00 0.00 54.13 53.58 2qxg s LEU 181 Cb -0.13 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 2qxg s LEU 181 CO 0.09 0.23 -0.25 0.00 -1.32 0.00 0.00 176.35 175.10 2qxg s ALA 183 N -1.07 -0.54 0.00 0.00 0.00 -0.94 0.08 121.76 119.29 2qxg s ALA 183 Ca 0.15 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2qxg s ALA 183 Cb -0.10 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.80 2qxg s ALA 183 CO 0.07 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.55 2qxg n GLY 184 N -0.25 -0.23 3.11 0.00 0.00 -0.20 -1.74 105.19 105.88 2qxg n GLY 184 Ca -0.11 -1.71 -0.25 0.00 0.00 0.00 0.00 46.02 43.96 2qxg n GLY 184 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qxg s ILE 185 N -1.70 1.29 0.27 -0.61 -1.09 -1.26 -2.10 121.20 116.01 2qxg s ILE 185 Ca 0.00 -0.65 -0.30 0.00 -2.23 0.00 0.00 60.65 57.47 2qxg s ILE 185 Cb 0.00 -1.11 -0.13 0.00 -1.58 0.00 0.00 42.46 39.64 2qxg s ILE 185 CO 0.00 0.38 1.35 -2.65 -1.23 0.00 0.00 174.94 172.79 2qxg n PRO 186 N 3.11 2.02 -3.85 2.79 -0.02 -1.26 -2.33 135.00 135.46 2qxg n PRO 186 Ca -0.18 0.71 -0.30 0.00 -2.02 0.00 0.00 63.50 61.72 2qxg n PRO 186 Cb 0.53 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 2qxg n PRO 186 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2qxg n ASP 186 N 1.74 -3.81 -4.14 2.55 9.92 -1.26 -4.95 116.55 116.61 2qxg n ASP 186 Ca 0.10 -0.73 -0.17 0.00 -0.53 0.00 0.00 54.79 53.45 2qxg n ASP 186 Cb 0.33 -3.11 -0.12 0.00 -0.64 0.00 0.00 41.12 37.58 2qxg n ASP 186 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2qxg s SER 186 N -3.08 1.42 0.00 -2.24 0.15 -0.98 -4.93 113.70 104.04 2qxg s SER 186 Ca 0.61 -0.59 0.27 0.00 0.70 0.00 0.00 55.95 56.94 2qxg s SER 186 Cb -0.32 -0.03 0.87 0.00 -1.71 0.00 0.00 66.02 64.83 2qxg s SER 186 CO 0.75 -0.11 1.64 0.29 1.20 0.00 0.00 173.24 177.01 2qxg n LYS 187 N 1.37 0.76 -1.65 5.44 5.02 -1.26 -4.36 118.16 123.48 2qxg n LYS 187 Ca -0.21 -0.40 -0.50 0.00 -2.02 0.00 0.00 58.31 55.17 2qxg n LYS 187 Cb 0.54 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 34.01 2qxg n LYS 187 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qxg n LYS 188 N -0.77 1.84 -2.81 1.97 5.02 -1.25 -4.41 118.16 117.75 2qxg n LYS 188 Ca 0.12 0.65 -0.00 0.00 -2.02 0.00 0.00 58.31 57.06 2qxg n LYS 188 Cb 0.33 -2.56 0.01 0.00 -0.02 0.00 0.00 35.03 32.78 2qxg n LYS 188 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2qxg n ASN 189 N 7.21 -0.75 -4.96 4.39 4.05 -1.05 -4.58 115.26 119.57 2qxg n ASN 189 Ca 0.26 -1.29 -0.19 0.00 0.45 0.00 0.00 54.58 53.81 2qxg n ASN 189 Cb 0.27 1.19 -0.00 0.00 1.23 0.00 0.00 39.78 42.47 2qxg n ASN 189 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2qxg s ALA 190 N -1.52 4.37 0.00 5.20 0.00 -1.26 -1.13 121.76 127.42 2qxg s ALA 190 Ca 0.14 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.33 2qxg s ALA 190 Cb -0.01 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.74 2qxg s ALA 190 CO 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 175.76 175.48 2qxg n ASN 192 N -0.62 2.16 0.00 0.00 2.85 -1.26 -1.15 115.26 117.25 2qxg n ASN 192 Ca 0.00 0.80 0.00 0.00 -0.11 0.00 0.00 54.58 55.27 2qxg n ASN 192 Cb 0.00 -1.16 0.00 0.00 1.24 0.00 0.00 39.78 39.86 2qxg n ASN 192 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2qxg n GLY 193 N 5.38 0.47 0.11 8.20 0.00 -1.26 -0.96 105.19 117.13 2qxg n GLY 193 Ca 0.35 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.47 2qxg n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qxg n ASP 194 N 0.00 1.21 -4.63 1.61 8.00 -0.30 -3.89 116.55 118.56 2qxg n ASP 194 Ca 0.00 -1.09 -0.45 0.00 0.71 0.00 0.00 54.79 53.96 2qxg n ASP 194 Cb 0.00 0.86 -0.02 0.00 -0.02 0.00 0.00 41.12 41.93 2qxg n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2qxg n SER 195 N -1.17 1.99 0.00 -2.24 7.64 -1.26 -1.12 113.62 117.46 2qxg n SER 195 Ca 0.05 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.10 2qxg n SER 195 Cb 0.36 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 2qxg n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qxg n GLY 196 N 1.58 1.64 3.77 0.23 0.00 -1.09 0.04 105.19 111.35 2qxg n GLY 196 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 2qxg n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qxg s GLY 197 N -2.04 2.03 0.05 -0.02 0.00 -0.28 -2.30 107.32 104.75 2qxg s GLY 197 Ca 0.00 0.49 -0.19 0.00 0.00 0.00 0.00 44.72 45.02 2qxg s GLY 197 CO 0.00 0.84 0.54 2.56 0.00 0.00 0.00 173.10 177.04 2qxg s PRO 198 N -4.31 4.16 -0.37 2.90 0.04 -1.26 -1.57 135.00 134.58 2qxg s PRO 198 Ca 0.66 0.67 -0.02 0.00 0.04 0.00 0.00 61.00 62.35 2qxg s PRO 198 Cb -0.20 -3.25 0.09 0.00 0.04 0.00 0.00 34.50 31.18 2qxg s PRO 198 CO 0.46 0.61 0.13 -1.17 0.04 0.00 0.00 177.00 177.07 2qxg s LEU 199 N -0.98 4.81 -0.14 -3.56 2.96 0.07 -3.43 118.68 118.41 2qxg s LEU 199 Ca 0.28 -1.81 -0.06 0.00 -0.22 0.00 0.00 54.13 52.32 2qxg s LEU 199 Cb -0.19 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 2qxg s LEU 199 CO 0.18 -0.44 0.08 -0.69 -1.32 0.00 0.00 176.35 174.15 2qxg s VAL 200 N 1.16 4.95 -0.02 1.68 1.01 -0.56 -0.79 120.40 127.83 2qxg s VAL 200 Ca 0.05 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.05 2qxg s VAL 200 Cb -0.21 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.00 2qxg s VAL 200 CO -0.03 0.54 -0.03 0.00 0.00 0.00 0.00 175.10 175.57 2qxg n ARG 202 N 3.56 -3.85 0.00 0.00 1.74 -1.26 -2.79 116.66 114.06 2qxg n ARG 202 Ca -0.20 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 2qxg n ARG 202 Cb 0.54 -5.10 0.00 0.00 -1.02 0.00 0.00 32.46 26.88 2qxg n ARG 202 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qxg n GLY 203 N -1.59 2.33 3.73 -0.13 0.00 -1.26 -5.03 105.19 103.25 2qxg n GLY 203 Ca -0.01 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 2qxg n GLY 203 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qxg s THR 208 N -0.73 4.30 0.03 2.61 -4.23 -1.12 -4.69 115.64 111.81 2qxg s THR 208 Ca 0.00 -0.84 -0.33 0.00 -1.18 0.00 0.00 61.69 59.34 2qxg s THR 208 Cb 0.00 -3.05 -0.11 0.00 1.34 0.00 0.00 72.50 70.68 2qxg s THR 208 CO 0.00 0.14 1.85 -0.11 -0.54 0.00 0.00 174.62 175.96 2qxg n LEU 209 N 0.58 3.70 -0.01 4.79 7.94 -0.32 -2.75 117.00 130.93 2qxg n LEU 209 Ca -0.10 0.98 0.05 0.00 -1.11 0.00 0.00 56.01 55.82 2qxg n LEU 209 Cb 0.52 -1.46 -0.10 0.00 0.53 0.00 0.00 43.42 42.91 2qxg n LEU 209 CO 0.41 0.03 -0.69 0.00 -1.11 0.00 0.00 177.39 176.03 2qxg n GLN 210 N 6.11 0.65 -3.79 1.96 1.13 0.03 -3.78 117.38 119.70 2qxg n GLN 210 Ca 0.20 -0.10 -0.03 0.00 -1.94 0.00 0.00 57.00 55.13 2qxg n GLN 210 Cb 0.34 -1.31 -0.00 0.00 0.11 0.00 0.00 30.24 29.38 2qxg n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2qxg s GLY 211 N -3.66 -0.13 -0.04 1.08 0.00 -0.99 -1.45 107.32 102.13 2qxg s GLY 211 Ca -0.05 0.01 0.03 0.00 0.00 0.00 0.00 44.72 44.70 2qxg s GLY 211 CO 0.54 0.75 -0.12 1.08 0.00 0.00 0.00 173.10 175.35 2qxg s LEU 212 N -3.09 1.74 0.28 0.66 1.43 -1.07 -0.75 118.68 117.88 2qxg s LEU 212 Ca 0.15 -0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.71 2qxg s LEU 212 Cb -0.01 -0.73 -0.14 0.00 0.03 0.00 0.00 46.19 45.34 2qxg s LEU 212 CO 0.03 0.07 1.16 0.52 0.23 0.00 0.00 176.35 178.35 2qxg n VAL 213 N 3.46 1.69 0.06 -1.59 0.31 -0.61 -1.32 118.33 120.33 2qxg n VAL 213 Ca -0.20 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 2qxg n VAL 213 Cb 0.53 -1.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 2qxg n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2qxg n SER 214 N 1.36 0.21 -3.65 4.52 2.88 -0.87 -2.69 113.62 115.39 2qxg n SER 214 Ca 0.09 0.21 -0.10 0.00 -1.33 0.00 0.00 58.87 57.75 2qxg n SER 214 Cb 0.32 0.06 -0.02 0.00 -0.75 0.00 0.00 64.21 63.82 2qxg n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2qxg s TRP 215 N -1.58 -0.33 0.00 0.66 1.48 -0.87 -4.94 118.94 113.36 2qxg s TRP 215 Ca 0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 56.10 55.03 2qxg s TRP 215 Cb 0.00 0.60 0.00 0.00 -1.16 0.00 0.00 33.47 32.91 2qxg s TRP 215 CO 0.00 -1.02 0.00 0.41 -4.06 0.00 0.00 176.95 172.28 2qxg n GLY 216 N -0.41 2.74 3.95 3.67 0.00 -1.26 -0.79 105.19 113.10 2qxg n GLY 216 Ca -0.10 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 2qxg n GLY 216 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qxg s THR 217 N -2.19 4.93 -0.04 2.61 -4.23 -1.26 -5.06 115.64 110.41 2qxg s THR 217 Ca 0.00 -1.05 0.02 0.00 -1.18 0.00 0.00 61.69 59.48 2qxg s THR 217 Cb 0.00 -3.72 0.01 0.00 1.34 0.00 0.00 72.50 70.13 2qxg s THR 217 CO 0.00 -0.30 -0.10 0.12 -0.54 0.00 0.00 174.62 173.80 2qxg s PHE 218 N -2.04 1.08 0.61 3.99 2.19 -1.26 -3.54 117.98 119.01 2qxg s PHE 218 Ca 0.36 -0.31 -0.18 0.00 0.33 0.00 0.00 56.93 57.13 2qxg s PHE 218 Cb -0.09 -0.79 -0.04 0.00 -1.31 0.00 0.00 43.02 40.79 2qxg s PHE 218 CO 0.29 -0.15 0.99 -2.30 1.83 0.00 0.00 175.22 175.88 2qxg n PRO 219 N 3.48 0.89 -1.52 10.12 -0.02 -1.26 -5.13 135.00 141.57 2qxg n PRO 219 Ca -0.20 0.35 -0.32 0.00 -2.02 0.00 0.00 63.50 61.31 2qxg n PRO 219 Cb 0.53 -2.20 0.06 0.00 -0.02 0.00 0.00 33.50 31.88 2qxg n PRO 219 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qxg n GLY 220 N -1.29 0.62 3.70 0.00 0.00 -1.26 -4.85 105.19 102.11 2qxg n GLY 220 Ca 0.09 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 2qxg n GLY 220 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qxg s GLN 221 N -1.99 4.24 0.21 1.61 -0.21 -1.26 -4.30 119.66 117.97 2qxg s GLN 221 Ca 0.00 2.18 -0.32 0.00 0.02 0.00 0.00 55.36 57.24 2qxg s GLN 221 Cb 0.00 -3.49 -0.14 0.00 1.00 0.00 0.00 33.01 30.38 2qxg s GLN 221 CO 0.00 -0.63 1.40 -2.30 -2.12 0.00 0.00 175.29 171.64 2qxg n PRO 222 N 5.10 1.89 -0.93 2.91 -0.02 -1.26 -1.78 135.00 140.90 2qxg n PRO 222 Ca 0.14 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 2qxg n PRO 222 Cb 0.42 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 2qxg n PRO 222 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qxg n ASN 223 N 2.36 -2.90 -4.25 2.55 4.13 -1.26 -4.92 115.26 110.98 2qxg n ASN 223 Ca 0.13 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.96 2qxg n ASN 223 Cb 0.29 -1.53 -0.06 0.00 -1.54 0.00 0.00 39.78 36.95 2qxg n ASN 223 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2qxg s ASP 224 N -2.19 6.10 0.84 6.41 1.01 -0.73 -5.02 116.67 123.09 2qxg s ASP 224 Ca 0.00 -2.44 -0.14 0.00 0.71 0.00 0.00 52.55 50.68 2qxg s ASP 224 Cb 0.00 -2.08 0.04 0.00 1.01 0.00 0.00 42.92 41.89 2qxg s ASP 224 CO 0.00 -0.59 0.79 -2.65 0.21 0.00 0.00 175.17 172.93 2qxg n PRO 225 N 4.24 0.03 -3.52 8.23 -0.02 -1.26 -4.74 135.00 137.95 2qxg n PRO 225 Ca 0.04 0.07 -0.37 0.00 -2.02 0.00 0.00 63.50 61.22 2qxg n PRO 225 Cb 0.43 -2.10 -0.07 0.00 -0.02 0.00 0.00 33.50 31.73 2qxg n PRO 225 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2qxg s GLY 226 N -1.96 2.27 -0.22 -1.23 0.00 -0.71 -4.72 107.32 100.75 2qxg s GLY 226 Ca 0.66 -0.40 -0.13 0.00 0.00 0.00 0.00 44.72 44.85 2qxg s GLY 226 CO 0.58 0.40 0.29 0.14 0.00 0.00 0.00 173.10 174.51 2qxg s VAL 227 N 0.22 5.27 0.35 1.40 1.01 0.03 -2.22 120.40 126.47 2qxg s VAL 227 Ca 0.19 0.46 0.09 0.00 0.00 0.00 0.00 61.98 62.72 2qxg s VAL 227 Cb -0.14 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 2qxg s VAL 227 CO 0.06 0.29 -0.00 -0.31 0.00 0.00 0.00 175.10 175.14 2qxg s TYR 228 N 1.21 2.51 -0.38 5.22 1.51 0.18 -2.05 117.35 125.56 2qxg s TYR 228 Ca 0.14 -0.47 -0.24 0.00 -1.01 0.00 0.00 57.07 55.48 2qxg s TYR 228 Cb -0.14 -1.51 0.01 0.00 -0.11 0.00 0.00 41.96 40.22 2qxg s TYR 228 CO 0.06 0.49 0.85 0.99 -1.11 0.00 0.00 175.55 176.83 2qxg s THR 229 N -2.56 4.65 -0.48 -0.71 2.01 -0.44 -0.68 115.64 117.44 2qxg s THR 229 Ca 0.35 0.96 -0.28 0.00 0.31 0.00 0.00 61.69 63.03 2qxg s THR 229 Cb 0.01 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.23 2qxg s THR 229 CO 0.19 -0.52 1.76 -1.58 -0.69 0.00 0.00 174.62 173.77 2qxg s GLN 230 N 3.31 3.04 0.45 4.92 0.74 -0.49 -2.60 119.66 129.03 2qxg s GLN 230 Ca 0.34 0.95 0.23 0.00 0.05 0.00 0.00 55.36 56.93 2qxg s GLN 230 Cb -0.12 -4.26 1.04 0.00 1.10 0.00 0.00 33.01 30.76 2qxg s GLN 230 CO 0.19 -2.22 1.89 0.28 -0.55 0.00 0.00 175.29 174.88 2qxg h VAL 231 N 6.78 0.71 0.00 1.34 2.07 -1.56 -3.22 116.25 122.38 2qxg h VAL 231 Ca -0.29 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.22 2qxg h VAL 231 Cb 1.15 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 2qxg h VAL 231 CO 1.13 0.23 0.00 0.00 0.02 0.00 0.00 177.57 178.95 2qxg n LYS 233 N -0.62 0.81 -0.07 0.00 5.02 -1.21 -4.74 118.16 117.35 2qxg n LYS 233 Ca 0.01 -0.76 0.02 0.00 -2.02 0.00 0.00 58.31 55.56 2qxg n LYS 233 Cb 0.01 -0.78 0.02 0.00 -0.02 0.00 0.00 35.03 34.26 2qxg n LYS 233 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2qxg n PHE 234 N -0.17 0.00 0.21 2.13 3.01 -0.62 -4.76 117.46 117.26 2qxg n PHE 234 Ca 0.00 -0.38 0.07 0.00 1.01 0.00 0.00 57.45 58.15 2qxg n PHE 234 Cb 0.26 -0.05 0.45 0.00 -0.01 0.00 0.00 39.48 40.13 2qxg n PHE 234 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 2qxg h THR 235 N 1.66 0.84 0.03 4.37 1.35 -1.84 0.11 112.91 119.43 2qxg h THR 235 Ca 0.00 -1.20 -0.22 0.00 -0.55 0.00 0.00 66.41 64.44 2qxg h THR 235 Cb 0.83 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 68.97 2qxg h THR 235 CO 0.00 0.29 -0.98 0.50 -0.25 0.00 0.00 175.52 175.08 2qxg h LYS 236 N 0.00 0.25 -0.00 4.72 3.64 -1.92 -1.85 116.57 121.42 2qxg h LYS 236 Ca -0.00 -0.32 -0.21 0.00 -1.27 0.00 0.00 60.65 58.85 2qxg h LYS 236 Cb 0.71 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2qxg h LYS 236 CO 0.04 1.06 -0.91 2.35 -2.27 0.00 0.00 179.45 179.72 2qxg h TRP 237 N 0.12 0.50 -0.37 1.91 7.01 -1.80 -1.65 115.95 121.67 2qxg h TRP 237 Ca -0.07 -0.27 -0.13 0.00 2.11 0.00 0.00 58.89 60.53 2qxg h TRP 237 Cb 1.65 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 28.64 2qxg h TRP 237 CO 0.04 1.08 -0.28 0.82 -2.79 0.00 0.00 178.44 177.32 2qxg h ILE 238 N 0.19 1.28 -0.11 2.65 2.04 -0.98 -1.08 117.51 121.50 2qxg h ILE 238 Ca -0.07 -1.42 -0.11 0.00 1.00 0.00 0.00 64.86 64.27 2qxg h ILE 238 Cb 1.54 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 2qxg h ILE 238 CO 0.15 0.47 -0.36 -1.13 0.00 0.00 0.00 178.15 177.28 2qxg h ASN 239 N 0.67 0.51 -0.40 1.72 -0.73 -1.31 -2.85 115.58 113.18 2qxg h ASN 239 Ca 0.08 -0.61 -0.14 0.00 1.87 0.00 0.00 56.30 57.51 2qxg h ASN 239 Cb 0.81 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 39.24 2qxg h ASN 239 CO 0.07 1.03 -0.28 0.44 -0.37 0.00 0.00 177.43 178.31 2qxg h ASP 240 N 0.02 0.95 -0.39 1.15 3.32 -1.30 -2.89 116.42 117.28 2qxg h ASP 240 Ca -0.01 -0.43 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 2qxg h ASP 240 Cb 0.98 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 2qxg h ASP 240 CO 0.08 1.18 0.23 0.74 -1.72 0.00 0.00 179.24 179.74 2qxg h THR 241 N 0.73 1.14 -0.39 0.35 2.02 -1.27 0.41 112.91 115.90 2qxg h THR 241 Ca 0.08 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 66.92 2qxg h THR 241 Cb 0.86 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 2qxg h THR 241 CO 0.08 0.14 0.26 0.24 0.37 0.00 0.00 175.52 176.60 2qxg h MET 242 N 0.51 0.51 0.08 6.66 2.86 -1.52 -1.92 114.93 122.11 2qxg h MET 242 Ca 0.14 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2qxg h MET 242 Cb 0.03 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.58 2qxg h MET 242 CO -0.02 0.34 -0.04 -0.22 1.06 0.00 0.00 176.91 178.02 2qxg h LYS 243 N 0.52 -0.10 -0.90 1.72 3.64 -1.31 0.42 116.57 120.56 2qxg h LYS 243 Ca 0.15 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.72 2qxg h LYS 243 Cb -0.05 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 31.68 2qxg h LYS 243 CO -0.04 0.02 0.46 -0.22 -2.27 0.00 0.00 179.45 177.40 2qxg h LYS 244 N -0.21 0.54 -0.43 1.90 3.64 -0.67 -0.49 116.57 120.85 2qxg h LYS 244 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2qxg h LYS 244 Cb 0.17 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2qxg h LYS 244 CO 0.02 0.35 0.00 0.72 -2.27 0.00 0.00 179.45 178.27 2qxg n HIS 245 N -4.92 1.22 1.06 1.91 8.25 -0.74 -5.10 115.22 116.90 2qxg n HIS 245 Ca 0.21 -0.73 0.08 0.00 -0.26 0.00 0.00 57.72 57.02 2qxg n HIS 245 Cb 0.56 -0.29 0.50 0.00 1.12 0.00 0.00 29.99 31.88 2qxg n HIS 245 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85