#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qgf s VAL 17 N 0.00 4.85 -1.30 2.52 1.01 0.18 -4.06 120.40 123.59 1qgf s VAL 17 Ca 0.00 1.15 -0.02 0.00 0.00 0.00 0.00 61.98 63.11 1qgf s VAL 17 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1qgf s VAL 17 CO 0.00 0.51 0.28 0.61 0.00 0.00 0.00 175.10 176.51 1qgf n GLY 18 N 2.00 -0.28 3.99 4.51 0.00 -1.24 -1.94 105.19 112.23 1qgf n GLY 18 Ca -0.10 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 1qgf n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qgf s GLY 19 N -2.56 1.76 0.17 -0.02 0.00 -1.26 -4.81 107.32 100.61 1qgf s GLY 19 Ca 0.14 -1.75 0.08 0.00 0.00 0.00 0.00 44.72 43.19 1qgf s GLY 19 CO 0.17 -1.18 -0.16 -0.51 0.00 0.00 0.00 173.10 171.42 1qgf s THR 20 N -3.13 1.72 0.03 0.90 -4.23 -0.22 -4.90 115.64 105.81 1qgf s THR 20 Ca 0.66 -1.98 -0.30 0.00 -1.18 0.00 0.00 61.69 58.89 1qgf s THR 20 Cb -0.05 -1.86 -0.06 0.00 1.34 0.00 0.00 72.50 71.87 1qgf s THR 20 CO 0.44 -0.42 1.36 -0.70 -0.54 0.00 0.00 174.62 174.76 1qgf s GLU 21 N -3.05 4.31 0.51 3.99 2.12 -1.26 -0.74 118.70 124.59 1qgf s GLU 21 Ca 0.17 1.94 -0.21 0.00 0.36 0.00 0.00 54.97 57.23 1qgf s GLU 21 Cb -0.04 -3.48 -0.06 0.00 0.26 0.00 0.00 34.13 30.81 1qgf s GLU 21 CO 0.06 -0.50 1.14 0.00 -0.54 0.00 0.00 175.26 175.42 1qgf s ALA 22 N 1.95 2.80 0.57 6.30 0.00 -0.14 -4.86 121.76 128.39 1qgf s ALA 22 Ca 0.63 0.86 -0.20 0.00 0.00 0.00 0.00 51.96 53.25 1qgf s ALA 22 Cb -0.32 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 1qgf s ALA 22 CO 0.27 -0.72 1.22 -0.65 0.00 0.00 0.00 175.76 175.89 1qgf s GLN 23 N -3.07 3.10 0.10 0.00 -1.52 -1.26 -4.88 119.66 112.12 1qgf s GLN 23 Ca 0.69 1.86 0.17 0.00 -1.95 0.00 0.00 55.36 56.14 1qgf s GLN 23 Cb -0.25 -2.03 0.72 0.00 -0.22 0.00 0.00 33.01 31.23 1qgf s GLN 23 CO 0.29 -1.12 1.52 2.89 -0.25 0.00 0.00 175.29 178.63 1qgf n ARG 24 N -1.38 0.07 -0.14 2.91 1.85 -1.26 -2.34 116.66 116.36 1qgf n ARG 24 Ca 0.12 0.34 0.06 0.00 -1.00 0.00 0.00 57.85 57.37 1qgf n ARG 24 Cb 0.49 -1.64 0.12 0.00 -1.05 0.00 0.00 32.46 30.38 1qgf n ARG 24 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1qgf n ASN 25 N -1.77 2.65 -0.03 2.89 0.23 -1.26 -4.70 115.26 113.27 1qgf n ASN 25 Ca 0.03 -2.55 -0.16 0.00 -0.53 0.00 0.00 54.58 51.37 1qgf n ASN 25 Cb 0.17 -0.29 -0.05 0.00 -2.08 0.00 0.00 39.78 37.54 1qgf n ASN 25 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1qgf h SER 26 N 0.72 0.91 -2.11 0.53 0.02 -1.80 -3.40 113.55 108.43 1qgf h SER 26 Ca 0.00 -0.56 -0.58 0.00 -0.84 0.00 0.00 61.79 59.81 1qgf h SER 26 Cb 0.89 -0.27 -0.41 0.00 0.14 0.00 0.00 62.40 62.75 1qgf h SER 26 CO 0.04 1.36 -0.83 0.79 -1.14 0.00 0.00 176.83 177.05 1qgf n TRP 27 N -3.95 1.85 0.45 3.45 7.02 -1.26 -4.95 117.44 120.05 1qgf n TRP 27 Ca -0.06 -3.89 0.08 0.00 -1.02 0.00 0.00 57.50 52.61 1qgf n TRP 27 Cb 0.71 -0.46 0.36 0.00 -2.42 0.00 0.00 31.31 29.49 1qgf n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 1qgf n PRO 28 N 1.05 0.06 0.01 -0.99 -0.04 -1.26 -1.48 135.00 132.35 1qgf n PRO 28 Ca 0.26 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 1qgf n PRO 28 Cb 0.47 -1.61 0.26 0.00 -0.04 0.00 0.00 33.50 32.57 1qgf n PRO 28 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1qgf n SER 29 N -1.72 0.50 -4.73 3.54 3.41 -1.21 -1.85 113.62 111.55 1qgf n SER 29 Ca 0.03 -0.14 -0.42 0.00 -0.26 0.00 0.00 58.87 58.09 1qgf n SER 29 Cb 0.18 0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 1qgf n SER 29 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1qgf s GLN 30 N -3.03 4.34 0.30 4.33 2.00 -0.55 -0.45 119.66 126.60 1qgf s GLN 30 Ca 0.10 2.12 0.10 0.00 -2.00 0.00 0.00 55.36 55.68 1qgf s GLN 30 Cb 0.17 -3.20 -0.06 0.00 0.80 0.00 0.00 33.01 30.72 1qgf s GLN 30 CO 0.69 -0.36 -0.13 0.96 -0.50 0.00 0.00 175.29 175.95 1qgf s ILE 31 N 0.50 2.17 -0.22 -2.34 -5.25 -0.53 -4.55 121.20 110.98 1qgf s ILE 31 Ca 0.61 -2.26 -0.06 0.00 -0.99 0.00 0.00 60.65 57.95 1qgf s ILE 31 Cb -0.38 -2.45 -0.03 0.00 2.95 0.00 0.00 42.46 42.56 1qgf s ILE 31 CO 0.36 -0.32 0.03 -0.55 -1.79 0.00 0.00 174.94 172.67 1qgf s SER 32 N -3.52 4.95 -0.30 4.36 0.15 -0.58 -2.57 113.70 116.18 1qgf s SER 32 Ca 0.30 -0.21 -0.11 0.00 0.70 0.00 0.00 55.95 56.64 1qgf s SER 32 Cb -0.00 -1.86 -0.03 0.00 -1.71 0.00 0.00 66.02 62.42 1qgf s SER 32 CO 0.14 0.02 0.18 -0.22 1.20 0.00 0.00 173.24 174.57 1qgf s LEU 33 N 1.26 4.14 0.23 3.45 2.96 0.25 -0.99 118.68 129.97 1qgf s LEU 33 Ca 0.04 -0.30 0.11 0.00 -0.22 0.00 0.00 54.13 53.76 1qgf s LEU 33 Cb -0.15 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.43 1qgf s LEU 33 CO 0.02 -0.15 -0.22 -1.10 -1.32 0.00 0.00 176.35 173.59 1qgf s GLN 34 N 1.69 1.56 0.16 1.98 -0.21 -0.10 -0.84 119.66 123.91 1qgf s GLN 34 Ca 0.06 -1.62 0.10 0.00 0.02 0.00 0.00 55.36 53.91 1qgf s GLN 34 Cb -0.17 -1.75 -0.04 0.00 1.00 0.00 0.00 33.01 32.05 1qgf s GLN 34 CO 0.09 0.35 -0.22 1.52 -2.12 0.00 0.00 175.29 174.91 1qgf s TYR 35 N -2.10 2.04 0.14 0.91 1.13 0.05 -0.88 117.35 118.64 1qgf s TYR 35 Ca 0.24 -0.41 -0.30 0.00 -1.41 0.00 0.00 57.07 55.19 1qgf s TYR 35 Cb -0.06 -1.04 -0.07 0.00 -1.10 0.00 0.00 41.96 39.69 1qgf s TYR 35 CO 0.12 0.37 1.16 0.50 -2.51 0.00 0.00 175.55 175.19 1qgf s ARG 36 N -2.53 4.51 -0.30 -3.49 3.52 -0.23 -0.60 118.95 119.83 1qgf s ARG 36 Ca 0.16 1.77 -0.03 0.00 -0.13 0.00 0.00 55.73 57.50 1qgf s ARG 36 Cb -0.08 -3.29 0.11 0.00 -1.56 0.00 0.00 34.95 30.12 1qgf s ARG 36 CO 0.07 -0.08 0.14 0.45 -0.81 0.00 0.00 175.30 175.07 1qgf s SER 36 N 0.37 3.47 1.66 -2.12 0.15 0.30 -4.78 113.70 112.75 1qgf s SER 36 Ca 0.53 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.73 1qgf s SER 36 Cb -0.30 -0.38 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 1qgf s SER 36 CO 0.33 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1qgf n GLY 36 N 5.03 3.37 0.74 9.45 0.00 -1.26 -1.58 105.19 120.93 1qgf n GLY 36 Ca -0.03 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1qgf n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qgf n SER 36 N 9.32 2.38 -1.67 1.61 3.41 -1.26 -4.96 113.62 122.46 1qgf n SER 36 Ca 0.00 -1.74 -0.03 0.00 -0.26 0.00 0.00 58.87 56.84 1qgf n SER 36 Cb 0.00 0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.02 1qgf n SER 36 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1qgf n SER 37 N 0.75 0.88 -4.32 4.04 2.88 -0.62 -5.17 113.62 112.07 1qgf n SER 37 Ca 0.14 -1.22 -0.28 0.00 -1.33 0.00 0.00 58.87 56.19 1qgf n SER 37 Cb 0.51 0.11 -0.14 0.00 -0.75 0.00 0.00 64.21 63.94 1qgf n SER 37 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1qgf s TRP 38 N -1.73 2.09 -0.05 0.66 0.52 -1.26 -0.54 118.94 118.63 1qgf s TRP 38 Ca 0.02 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 55.78 1qgf s TRP 38 Cb 0.00 -1.21 0.00 0.00 -1.15 0.00 0.00 33.47 31.11 1qgf s TRP 38 CO 0.02 0.16 -0.16 0.00 0.02 0.00 0.00 176.95 176.99 1qgf s ALA 39 N -0.89 1.46 0.32 0.98 0.00 0.23 -4.89 121.76 118.96 1qgf s ALA 39 Ca 0.10 -0.61 -0.29 0.00 0.00 0.00 0.00 51.96 51.16 1qgf s ALA 39 Cb -0.10 -0.53 -0.11 0.00 0.00 0.00 0.00 23.12 22.38 1qgf s ALA 39 CO 0.03 0.22 1.44 -1.58 0.00 0.00 0.00 175.76 175.87 1qgf s HIS 40 N 0.25 2.86 0.00 0.00 2.46 -1.26 -0.77 115.29 118.82 1qgf s HIS 40 Ca -0.08 1.13 0.00 0.00 0.47 0.00 0.00 55.06 56.58 1qgf s HIS 40 Cb -0.13 -3.88 0.00 0.00 -0.13 0.00 0.00 32.58 28.44 1qgf s HIS 40 CO 0.03 -2.69 0.00 -2.37 -2.47 0.00 0.00 174.74 167.24 1qgf n THR 41 N 1.34 0.00 -3.97 0.89 5.66 -0.02 -4.91 114.28 113.28 1qgf n THR 41 Ca 0.03 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.95 1qgf n THR 41 Cb 0.40 -0.63 -0.04 0.00 -1.55 0.00 0.00 70.33 68.51 1qgf n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qgf n GLY 43 N -0.41 1.93 3.79 0.00 0.00 0.23 -0.59 105.19 110.15 1qgf n GLY 43 Ca -0.02 -2.13 -0.01 0.00 0.00 0.00 0.00 46.02 43.86 1qgf n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qgf s GLY 44 N -2.05 -0.17 -0.09 -0.02 0.00 -1.06 -3.22 107.32 100.71 1qgf s GLY 44 Ca 0.01 0.14 0.01 0.00 0.00 0.00 0.00 44.72 44.89 1qgf s GLY 44 CO 0.01 1.74 -0.12 -1.59 0.00 0.00 0.00 173.10 173.14 1qgf s THR 45 N -2.48 1.23 -0.16 0.90 2.01 0.67 -1.45 115.64 116.36 1qgf s THR 45 Ca 0.19 -0.49 -0.29 0.00 0.31 0.00 0.00 61.69 61.40 1qgf s THR 45 Cb 0.00 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.34 1qgf s THR 45 CO 0.01 0.39 1.41 -0.22 -0.69 0.00 0.00 174.62 175.52 1qgf s LEU 46 N 1.02 4.16 -0.01 4.42 2.96 0.40 -0.60 118.68 131.02 1qgf s LEU 46 Ca -0.07 1.78 0.08 0.00 -0.22 0.00 0.00 54.13 55.70 1qgf s LEU 46 Cb -0.15 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 42.89 1qgf s LEU 46 CO -0.01 -0.89 0.17 2.30 -1.32 0.00 0.00 176.35 176.59 1qgf n ILE 47 N 5.60 0.00 -4.20 6.68 -5.35 -0.08 0.12 119.36 122.13 1qgf n ILE 47 Ca 0.15 -0.18 -0.12 0.00 -0.27 0.00 0.00 62.75 62.34 1qgf n ILE 47 Cb 0.44 0.35 -0.10 0.00 -1.74 0.00 0.00 39.64 38.59 1qgf n ILE 47 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1qgf s ARG 48 N -2.50 1.14 0.62 6.28 1.81 -1.00 -4.68 118.95 120.61 1qgf s ARG 48 Ca -0.03 -1.59 0.39 0.00 -1.72 0.00 0.00 55.73 52.79 1qgf s ARG 48 Cb 0.05 0.17 1.98 0.00 -0.45 0.00 0.00 34.95 36.70 1qgf s ARG 48 CO 0.31 -0.33 2.21 1.96 -0.68 0.00 0.00 175.30 178.78 1qgf h GLN 49 N 2.66 0.00 0.00 3.54 4.20 -1.96 -2.43 115.11 121.13 1qgf h GLN 49 Ca -0.36 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.34 1qgf h GLN 49 Cb 1.23 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.99 1qgf h GLN 49 CO 0.56 0.01 -0.25 0.27 -0.67 0.00 0.00 178.83 178.75 1qgf n ASN 50 N -3.14 1.86 -3.89 1.46 6.94 -1.26 -1.52 115.26 115.71 1qgf n ASN 50 Ca -0.02 -3.16 -0.15 0.00 -0.02 0.00 0.00 54.58 51.23 1qgf n ASN 50 Cb 0.17 -0.43 -0.15 0.00 -2.36 0.00 0.00 39.78 37.01 1qgf n ASN 50 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 1qgf s TRP 51 N -2.55 0.29 -0.05 -2.53 0.52 -0.92 -0.78 118.94 112.93 1qgf s TRP 51 Ca 0.31 -0.04 0.06 0.00 0.02 0.00 0.00 56.10 56.45 1qgf s TRP 51 Cb 0.28 -0.25 -0.01 0.00 -1.15 0.00 0.00 33.47 32.34 1qgf s TRP 51 CO -0.01 -0.04 -0.24 0.08 0.02 0.00 0.00 176.95 176.75 1qgf s VAL 52 N 0.25 1.97 -0.22 4.03 1.01 -0.44 -0.91 120.40 126.10 1qgf s VAL 52 Ca -0.02 -1.03 -0.12 0.00 0.00 0.00 0.00 61.98 60.80 1qgf s VAL 52 Cb -0.05 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 1qgf s VAL 52 CO -0.01 0.55 0.23 -0.32 0.00 0.00 0.00 175.10 175.56 1qgf s MET 53 N -0.26 4.13 0.06 2.72 1.75 0.23 -0.08 119.30 127.84 1qgf s MET 53 Ca -0.00 -0.11 0.01 0.00 -1.25 0.00 0.00 55.69 54.34 1qgf s MET 53 Cb -0.12 -3.51 -0.00 0.00 2.84 0.00 0.00 34.83 34.03 1qgf s MET 53 CO 0.02 0.08 0.06 -2.37 -0.65 0.00 0.00 175.02 172.16 1qgf n THR 54 N 4.15 0.00 -3.29 10.11 5.66 -0.24 -0.24 114.28 130.43 1qgf n THR 54 Ca -0.13 -0.38 -0.35 0.00 -3.05 0.00 0.00 64.05 60.14 1qgf n THR 54 Cb 0.52 0.20 -0.06 0.00 -1.55 0.00 0.00 70.33 69.44 1qgf n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qgf s ALA 55 N -2.05 3.53 0.31 1.79 0.00 -1.26 -1.06 121.76 123.02 1qgf s ALA 55 Ca 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.96 1qgf s ALA 55 Cb 0.00 -2.60 0.49 0.00 0.00 0.00 0.00 23.12 21.01 1qgf s ALA 55 CO 0.04 0.42 1.96 0.00 0.00 0.00 0.00 175.76 178.18 1qgf h ALA 56 N 3.44 1.46 0.00 0.00 0.00 -1.68 -2.54 119.26 119.94 1qgf h ALA 56 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1qgf h ALA 56 Cb 1.19 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1qgf h ALA 56 CO 0.66 0.47 0.00 1.25 0.00 0.00 0.00 179.25 181.63 1qgf h HIS 57 N 1.06 0.00 0.00 0.00 -0.00 -1.92 -1.81 115.15 112.48 1qgf h HIS 57 Ca 0.32 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.63 1qgf h HIS 57 Cb -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.38 1qgf h HIS 57 CO -0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 177.93 177.64 1qgf n VAL 59 N -3.33 1.87 -0.23 0.00 0.24 -0.69 -4.60 118.33 111.60 1qgf n VAL 59 Ca 0.01 -1.59 -0.08 0.00 -2.04 0.00 0.00 64.34 60.64 1qgf n VAL 59 Cb 0.52 -0.01 0.03 0.00 -1.47 0.00 0.00 33.84 32.92 1qgf n VAL 59 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1qgf h ASP 60 N 1.90 0.98 -4.19 -1.34 3.32 -1.47 -3.44 116.42 112.19 1qgf h ASP 60 Ca 0.00 -0.24 -0.50 0.00 0.02 0.00 0.00 57.03 56.32 1qgf h ASP 60 Cb 1.22 -0.26 0.07 0.00 0.22 0.00 0.00 39.33 40.58 1qgf h ASP 60 CO 0.15 0.97 0.38 -0.13 -1.72 0.00 0.00 179.24 178.89 1qgf s ARG 61 N -5.29 3.20 -0.39 3.56 3.00 -1.26 -4.91 118.95 116.86 1qgf s ARG 61 Ca -0.12 1.27 -0.07 0.00 0.00 0.00 0.00 55.73 56.80 1qgf s ARG 61 Cb 0.14 -2.01 -0.22 0.00 0.00 0.00 0.00 34.95 32.85 1qgf s ARG 61 CO 0.83 -0.91 3.47 0.39 0.00 0.00 0.00 175.30 179.08 1qgf n GLU 62 N -2.08 2.41 -2.91 3.54 -0.58 -1.26 -4.93 120.64 114.83 1qgf n GLU 62 Ca 0.09 -1.30 -0.20 0.00 -0.42 0.00 0.00 57.16 55.34 1qgf n GLU 62 Cb 0.53 -2.19 0.02 0.00 -0.57 0.00 0.00 31.44 29.22 1qgf n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1qgf s LEU 63 N 0.02 3.54 -0.26 -4.62 1.43 -1.26 -5.07 118.68 112.46 1qgf s LEU 63 Ca 0.68 -0.12 -0.18 0.00 -1.03 0.00 0.00 54.13 53.47 1qgf s LEU 63 Cb 0.29 -2.83 -0.02 0.00 0.03 0.00 0.00 46.19 43.66 1qgf s LEU 63 CO -0.02 -0.87 0.54 -0.89 0.23 0.00 0.00 176.35 175.35 1qgf s THR 64 N -2.53 5.05 0.12 5.49 2.01 -1.26 -5.02 115.64 119.50 1qgf s THR 64 Ca 0.54 0.91 0.06 0.00 0.31 0.00 0.00 61.69 63.51 1qgf s THR 64 Cb -0.10 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 1qgf s THR 64 CO 0.36 0.06 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.94 1qgf s PHE 65 N 2.36 2.85 0.11 4.92 0.08 -1.26 -1.07 117.98 125.97 1qgf s PHE 65 Ca 0.22 -0.11 0.02 0.00 0.12 0.00 0.00 56.93 57.18 1qgf s PHE 65 Cb -0.16 -1.45 -0.04 0.00 -0.57 0.00 0.00 43.02 40.80 1qgf s PHE 65 CO 0.09 0.47 -0.06 -0.98 -0.10 0.00 0.00 175.22 174.64 1qgf s ARG 65 N -2.46 0.88 -0.08 0.44 1.70 -0.06 -3.01 118.95 116.37 1qgf s ARG 65 Ca 0.25 -1.36 0.02 0.00 -0.47 0.00 0.00 55.73 54.16 1qgf s ARG 65 Cb -0.11 -0.24 -0.02 0.00 -0.57 0.00 0.00 34.95 34.01 1qgf s ARG 65 CO 0.17 -0.02 -0.13 0.08 -1.08 0.00 0.00 175.30 174.31 1qgf s VAL 66 N -3.61 3.15 -0.20 4.99 1.01 -0.09 -0.92 120.40 124.73 1qgf s VAL 66 Ca 0.13 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1qgf s VAL 66 Cb 0.05 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 34.17 1qgf s VAL 66 CO -0.03 0.57 -0.12 -0.69 0.00 0.00 0.00 175.10 174.83 1qgf s VAL 67 N -0.38 2.72 0.17 2.92 1.01 -0.16 -1.41 120.40 125.26 1qgf s VAL 67 Ca 0.04 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.35 1qgf s VAL 67 Cb -0.12 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1qgf s VAL 67 CO 0.02 0.47 0.10 0.68 0.00 0.00 0.00 175.10 176.37 1qgf s VAL 68 N 1.38 4.29 -0.89 2.92 -7.23 -0.49 -1.53 120.40 118.84 1qgf s VAL 68 Ca 0.05 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 1qgf s VAL 68 Cb -0.14 -3.19 0.00 0.00 0.56 0.00 0.00 36.38 33.62 1qgf s VAL 68 CO -0.08 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.20 1qgf n GLY 69 N -0.32 0.57 3.85 2.32 0.00 -1.24 -1.44 105.19 108.92 1qgf n GLY 69 Ca -0.09 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 1qgf n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qgf s GLU 70 N -3.57 3.90 0.03 1.61 2.56 -1.26 -3.00 118.70 118.97 1qgf s GLU 70 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 54.97 55.35 1qgf s GLU 70 Cb 0.00 -3.10 0.00 0.00 2.00 0.00 0.00 34.13 33.03 1qgf s GLU 70 CO 0.00 0.61 0.00 1.58 -0.56 0.00 0.00 175.26 176.89 1qgf n HIS 71 N 1.34 -0.24 -3.93 5.30 -0.00 -1.26 -4.94 115.22 111.50 1qgf n HIS 71 Ca -0.10 0.04 -0.35 0.00 -0.00 0.00 0.00 57.72 57.31 1qgf n HIS 71 Cb 0.52 0.29 -0.14 0.00 -0.00 0.00 0.00 29.99 30.66 1qgf n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1qgf s ASN 72 N -5.07 4.17 0.53 0.26 3.84 -1.26 -1.33 114.94 116.08 1qgf s ASN 72 Ca 0.00 -0.48 0.32 0.00 0.21 0.00 0.00 52.86 52.90 1qgf s ASN 72 Cb 0.00 -1.70 1.39 0.00 -0.55 0.00 0.00 41.25 40.39 1qgf s ASN 72 CO 0.00 -0.03 2.00 -0.07 -2.79 0.00 0.00 177.10 176.21 1qgf h LEU 73 N 8.08 0.00 -2.85 3.21 3.38 -1.16 -3.05 115.31 122.92 1qgf h LEU 73 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1qgf h LEU 73 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1qgf h LEU 73 CO 0.61 0.07 0.00 0.59 0.09 0.00 0.00 178.44 179.79 1qgf n ASN 74 N -3.24 3.58 -3.85 -0.43 4.13 -1.26 -4.99 115.26 109.20 1qgf n ASN 74 Ca -0.00 -2.06 -0.12 0.00 1.68 0.00 0.00 54.58 54.08 1qgf n ASN 74 Cb 0.30 -0.39 -0.10 0.00 -1.54 0.00 0.00 39.78 38.05 1qgf n ASN 74 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1qgf s GLN 75 N -1.11 0.48 -0.15 3.52 -0.21 -1.15 -5.12 119.66 115.91 1qgf s GLN 75 Ca 0.38 -0.30 -0.29 0.00 0.02 0.00 0.00 55.36 55.17 1qgf s GLN 75 Cb 0.21 0.20 -0.02 0.00 1.00 0.00 0.00 33.01 34.40 1qgf s GLN 75 CO 0.25 -0.11 1.33 1.21 -2.12 0.00 0.00 175.29 175.84 1qgf s ASN 76 N -1.21 6.90 0.11 5.90 2.47 -1.26 -4.63 114.94 123.23 1qgf s ASN 76 Ca -0.13 1.77 0.24 0.00 0.42 0.00 0.00 52.86 55.16 1qgf s ASN 76 Cb -0.07 -2.54 0.22 0.00 -1.45 0.00 0.00 41.25 37.42 1qgf s ASN 76 CO 0.02 -0.79 1.21 0.78 -3.72 0.00 0.00 177.10 174.59 1qgf h ASN 77 N 8.43 0.00 -0.41 -4.21 4.21 -1.94 -3.48 115.58 118.19 1qgf h ASN 77 Ca -0.28 -0.22 -0.13 0.00 1.21 0.00 0.00 56.30 56.87 1qgf h ASN 77 Cb 1.11 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 38.27 1qgf h ASN 77 CO 0.97 0.11 -0.13 0.61 -1.29 0.00 0.00 177.43 177.70 1qgf n GLY 78 N 1.32 0.77 0.00 2.83 0.00 -1.26 -4.85 105.19 104.00 1qgf n GLY 78 Ca 0.02 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1qgf n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qgf n THR 79 N -2.98 0.00 -2.22 2.61 -2.24 -1.26 -5.11 114.28 103.08 1qgf n THR 79 Ca -0.07 -0.09 -0.35 0.00 -2.27 0.00 0.00 64.05 61.27 1qgf n THR 79 Cb 0.27 0.93 0.01 0.00 -2.10 0.00 0.00 70.33 69.43 1qgf n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1qgf s GLU 80 N -0.21 3.31 -0.04 -0.78 8.01 -1.16 -4.51 118.70 123.31 1qgf s GLU 80 Ca 0.00 1.60 0.02 0.00 0.01 0.00 0.00 54.97 56.60 1qgf s GLU 80 Cb 0.00 -2.00 0.01 0.00 -4.31 0.00 0.00 34.13 27.83 1qgf s GLU 80 CO 0.00 -0.88 -0.10 -0.65 0.01 0.00 0.00 175.26 173.64 1qgf s GLN 81 N -3.35 1.18 -0.15 1.61 -0.21 -0.52 -4.99 119.66 113.23 1qgf s GLN 81 Ca 0.72 -0.32 -0.02 0.00 0.02 0.00 0.00 55.36 55.76 1qgf s GLN 81 Cb -0.24 -1.06 -0.02 0.00 1.00 0.00 0.00 33.01 32.69 1qgf s GLN 81 CO 0.28 0.07 -0.07 0.71 -2.12 0.00 0.00 175.29 174.16 1qgf s TYR 82 N 0.41 2.94 -0.02 0.91 1.51 -1.26 -1.40 117.35 120.44 1qgf s TYR 82 Ca -0.07 -0.47 -0.03 0.00 -1.01 0.00 0.00 57.07 55.49 1qgf s TYR 82 Cb -0.12 -1.92 0.01 0.00 -0.11 0.00 0.00 41.96 39.82 1qgf s TYR 82 CO 0.01 -0.13 0.08 0.54 -1.11 0.00 0.00 175.55 174.94 1qgf s VAL 83 N 0.42 0.02 0.69 0.71 0.11 -0.50 -5.01 120.40 116.84 1qgf s VAL 83 Ca -0.06 -0.14 -0.11 0.00 -2.93 0.00 0.00 61.98 58.73 1qgf s VAL 83 Cb -0.15 -0.17 0.01 0.00 -1.53 0.00 0.00 36.38 34.54 1qgf s VAL 83 CO 0.04 -0.08 1.07 -0.83 -3.33 0.00 0.00 175.10 171.97 1qgf s GLY 84 N -0.22 1.65 -0.35 6.54 0.00 -1.26 -0.91 107.32 112.77 1qgf s GLY 84 Ca -0.03 -0.15 -0.17 0.00 0.00 0.00 0.00 44.72 44.37 1qgf s GLY 84 CO 0.00 0.19 0.47 0.14 0.00 0.00 0.00 173.10 173.89 1qgf s VAL 85 N -3.20 5.07 -0.02 1.40 1.01 -1.16 -0.76 120.40 122.73 1qgf s VAL 85 Ca 0.58 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.81 1qgf s VAL 85 Cb -0.12 -3.92 -0.26 0.00 0.00 0.00 0.00 36.38 32.08 1qgf s VAL 85 CO 0.54 -0.18 0.75 -0.61 0.00 0.00 0.00 175.10 175.60 1qgf h GLN 86 N 8.46 0.17 -3.03 2.72 4.15 -0.89 -3.46 115.11 123.22 1qgf h GLN 86 Ca -0.28 -0.29 -0.16 0.00 0.77 0.00 0.00 58.65 58.69 1qgf h GLN 86 Cb 1.13 0.11 -0.26 0.00 0.21 0.00 0.00 27.48 28.67 1qgf h GLN 86 CO 0.75 0.96 -0.39 0.21 -1.93 0.00 0.00 178.83 178.43 1qgf s LYS 87 N -2.61 0.33 -0.20 1.69 2.20 -1.06 -4.98 119.74 115.10 1qgf s LYS 87 Ca -0.10 0.41 -0.01 0.00 -0.36 0.00 0.00 55.97 55.92 1qgf s LYS 87 Cb 0.07 0.14 0.01 0.00 -1.51 0.00 0.00 37.83 36.55 1qgf s LYS 87 CO 0.83 -0.05 -0.13 0.42 -0.36 0.00 0.00 175.35 176.06 1qgf s ILE 88 N 0.25 2.56 -0.36 5.43 1.01 -1.26 -0.47 121.20 128.37 1qgf s ILE 88 Ca -0.01 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 1qgf s ILE 88 Cb -0.03 -2.15 0.09 0.00 0.01 0.00 0.00 42.46 40.39 1qgf s ILE 88 CO -0.00 0.45 0.10 -0.69 0.00 0.00 0.00 174.94 174.80 1qgf s VAL 89 N 1.35 2.91 0.26 2.92 1.01 0.48 -4.99 120.40 124.34 1qgf s VAL 89 Ca 0.04 -1.96 -0.17 0.00 0.00 0.00 0.00 61.98 59.90 1qgf s VAL 89 Cb -0.14 -2.94 -0.08 0.00 0.00 0.00 0.00 36.38 33.21 1qgf s VAL 89 CO -0.09 -0.50 0.70 -0.69 0.00 0.00 0.00 175.10 174.52 1qgf s VAL 90 N 1.10 4.66 0.22 2.92 1.01 -1.26 -0.70 120.40 128.36 1qgf s VAL 90 Ca 0.05 1.05 -0.32 0.00 0.00 0.00 0.00 61.98 62.76 1qgf s VAL 90 Cb -0.21 -3.73 -0.13 0.00 0.00 0.00 0.00 36.38 32.31 1qgf s VAL 90 CO -0.04 0.03 1.44 1.57 0.00 0.00 0.00 175.10 178.10 1qgf n HIS 91 N 0.22 2.19 0.29 5.22 -0.00 -0.70 -4.84 115.22 117.61 1qgf n HIS 91 Ca 0.00 0.40 0.13 0.00 0.46 0.00 0.00 57.72 58.71 1qgf n HIS 91 Cb 0.52 -2.48 0.61 0.00 -0.12 0.00 0.00 29.99 28.52 1qgf n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1qgf h PRO 92 N 4.53 0.00 -0.02 1.57 0.13 -1.93 -1.45 132.00 134.84 1qgf h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1qgf h PRO 92 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1qgf h PRO 92 CO 0.78 0.00 -0.05 0.66 -0.23 0.00 0.00 178.00 179.16 1qgf n TYR 93 N -2.39 0.00 -1.92 1.56 4.01 -1.26 -4.95 117.16 112.21 1qgf n TYR 93 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.35 1qgf n TYR 93 Cb 0.15 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.18 1qgf n TYR 93 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1qgf s TRP 94 N -2.07 2.62 -0.10 -0.72 -0.11 -0.55 -4.91 118.94 113.10 1qgf s TRP 94 Ca 0.31 1.33 -0.02 0.00 1.22 0.00 0.00 56.10 58.93 1qgf s TRP 94 Cb 0.20 -3.81 0.04 0.00 -1.50 0.00 0.00 33.47 28.41 1qgf s TRP 94 CO 0.35 -2.55 0.04 1.21 -4.62 0.00 0.00 176.95 171.38 1qgf s ASN 95 N -0.61 1.85 0.58 5.86 2.47 -1.26 -5.05 114.94 118.78 1qgf s ASN 95 Ca 0.59 -0.27 0.27 0.00 0.42 0.00 0.00 52.86 53.87 1qgf s ASN 95 Cb -0.41 -0.35 1.64 0.00 -1.45 0.00 0.00 41.25 40.68 1qgf s ASN 95 CO 0.53 -0.26 2.14 0.00 -3.72 0.00 0.00 177.10 175.79 1qgf h THR 96 N 6.41 0.57 -0.00 -5.21 1.03 -1.98 -1.07 112.91 112.67 1qgf h THR 96 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.24 1qgf h THR 96 Cb 1.13 0.90 0.00 0.00 -1.07 0.00 0.00 68.15 69.10 1qgf h THR 96 CO 0.25 0.00 -0.04 0.47 -0.01 0.00 0.00 175.52 176.19 1qgf n ASP 97 N -3.95 0.07 -3.20 0.00 8.00 -1.26 -4.45 116.55 111.75 1qgf n ASP 97 Ca 0.00 0.07 -0.23 0.00 0.71 0.00 0.00 54.79 55.35 1qgf n ASP 97 Cb 0.25 -0.33 -0.07 0.00 -0.02 0.00 0.00 41.12 40.95 1qgf n ASP 97 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1qgf n ASP 98 N -1.35 -0.60 -1.97 -2.24 -0.08 -0.40 -5.07 116.55 104.84 1qgf n ASP 98 Ca 0.11 -2.63 -0.00 0.00 -1.51 0.00 0.00 54.79 50.76 1qgf n ASP 98 Cb 0.29 -0.24 -0.00 0.00 2.34 0.00 0.00 41.12 43.51 1qgf n ASP 98 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1qgf n VAL 99 N 2.11 0.31 0.00 5.18 3.14 -1.26 -4.06 118.33 123.75 1qgf n VAL 99 Ca 0.23 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.53 1qgf n VAL 99 Cb 0.52 -1.11 0.00 0.00 -1.06 0.00 0.00 33.84 32.19 1qgf n VAL 99 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1qgf n ALA 99 N 2.01 0.00 0.00 1.55 0.00 -1.26 -4.82 120.51 117.99 1qgf n ALA 99 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1qgf n ALA 99 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1qgf n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qgf n GLY 100 N 0.00 -1.22 2.40 0.00 0.00 -1.26 -5.00 105.19 100.11 1qgf n GLY 100 Ca 0.00 -1.93 -0.18 0.00 0.00 0.00 0.00 46.02 43.91 1qgf n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qgf n TYR 101 N 0.00 -0.56 -2.62 1.61 4.01 -1.26 -4.66 117.16 113.67 1qgf n TYR 101 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 1qgf n TYR 101 Cb 0.00 -3.37 0.00 0.00 -0.31 0.00 0.00 39.34 35.66 1qgf n TYR 101 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1qgf n ASP 102 N -1.22 5.01 -3.69 7.72 2.03 -1.26 -4.39 116.55 120.75 1qgf n ASP 102 Ca -0.20 -2.98 -0.15 0.00 0.52 0.00 0.00 54.79 51.98 1qgf n ASP 102 Cb 0.63 -1.60 -0.08 0.00 -0.72 0.00 0.00 41.12 39.36 1qgf n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1qgf s ILE 103 N 1.99 0.03 -0.06 5.18 2.07 -1.26 -3.94 121.20 125.21 1qgf s ILE 103 Ca 0.45 -0.24 -0.22 0.00 -1.41 0.00 0.00 60.65 59.22 1qgf s ILE 103 Cb 0.03 -0.72 0.05 0.00 0.13 0.00 0.00 42.46 41.94 1qgf s ILE 103 CO 0.01 -0.13 0.50 0.00 -1.91 0.00 0.00 174.94 173.41 1qgf s ALA 104 N -0.93 -1.28 -0.07 1.50 0.00 -0.22 -1.71 121.76 119.04 1qgf s ALA 104 Ca -0.10 0.92 0.02 0.00 0.00 0.00 0.00 51.96 52.80 1qgf s ALA 104 Cb -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1qgf s ALA 104 CO 0.05 -0.30 -0.14 -0.51 0.00 0.00 0.00 175.76 174.86 1qgf s LEU 105 N -1.03 2.75 -0.22 0.00 1.43 0.12 -1.08 118.68 120.65 1qgf s LEU 105 Ca -0.10 -0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 52.74 1qgf s LEU 105 Cb -0.03 -1.58 -0.00 0.00 0.03 0.00 0.00 46.19 44.61 1qgf s LEU 105 CO 0.06 0.29 -0.06 -0.76 0.23 0.00 0.00 176.35 176.11 1qgf s LEU 106 N -0.40 2.88 -0.16 1.79 1.43 0.88 -0.38 118.68 124.72 1qgf s LEU 106 Ca 0.05 -0.49 -0.25 0.00 -1.03 0.00 0.00 54.13 52.40 1qgf s LEU 106 Cb -0.12 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 1qgf s LEU 106 CO 0.02 -0.04 0.81 -0.60 0.23 0.00 0.00 176.35 176.77 1qgf s ARG 107 N 1.44 4.31 0.40 1.70 3.52 0.38 -1.32 118.95 129.39 1qgf s ARG 107 Ca 0.05 0.99 -0.20 0.00 -0.13 0.00 0.00 55.73 56.44 1qgf s ARG 107 Cb -0.14 -3.56 -0.11 0.00 -1.56 0.00 0.00 34.95 29.58 1qgf s ARG 107 CO -0.04 -0.28 0.91 -0.51 -0.81 0.00 0.00 175.30 174.57 1qgf s LEU 108 N 1.97 3.99 0.27 -0.88 1.43 0.04 -0.27 118.68 125.23 1qgf s LEU 108 Ca 0.38 1.63 -0.03 0.00 -1.03 0.00 0.00 54.13 55.09 1qgf s LEU 108 Cb -0.17 -4.43 0.37 0.00 0.03 0.00 0.00 46.19 42.00 1qgf s LEU 108 CO 0.13 -0.31 1.86 0.00 0.23 0.00 0.00 176.35 178.26 1qgf h ALA 109 N 2.05 1.24 -3.32 4.21 0.00 -1.27 -3.42 119.26 118.75 1qgf h ALA 109 Ca -0.49 -0.16 -0.46 0.00 0.00 0.00 0.00 54.91 53.80 1qgf h ALA 109 Cb 1.18 -0.27 -0.20 0.00 0.00 0.00 0.00 17.79 18.50 1qgf h ALA 109 CO 0.62 0.56 -0.79 -0.65 0.00 0.00 0.00 179.25 179.00 1qgf s GLN 110 N -5.48 0.99 0.09 0.00 1.11 -1.26 -5.03 119.66 110.09 1qgf s GLN 110 Ca -0.11 -1.12 -0.30 0.00 0.01 0.00 0.00 55.36 53.84 1qgf s GLN 110 Cb 0.16 -1.04 -0.06 0.00 -1.01 0.00 0.00 33.01 31.06 1qgf s GLN 110 CO 0.81 0.23 1.05 -1.12 0.01 0.00 0.00 175.29 176.26 1qgf s SER 111 N -2.04 7.33 0.52 5.90 0.01 -1.26 -4.75 113.70 119.41 1qgf s SER 111 Ca 0.04 1.88 -0.12 0.00 1.31 0.00 0.00 55.95 59.07 1qgf s SER 111 Cb -0.08 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.50 1qgf s SER 111 CO 0.03 -0.23 0.93 0.68 0.41 0.00 0.00 173.24 175.06 1qgf s VAL 112 N 0.38 4.70 -0.15 3.43 -7.23 -0.57 -4.99 120.40 115.98 1qgf s VAL 112 Ca 0.51 0.83 -0.17 0.00 -1.81 0.00 0.00 61.98 61.33 1qgf s VAL 112 Cb -0.25 -3.80 -0.04 0.00 0.56 0.00 0.00 36.38 32.85 1qgf s VAL 112 CO 0.31 -0.84 0.44 -0.89 -0.31 0.00 0.00 175.10 173.81 1qgf s THR 113 N -2.78 5.20 0.29 5.32 2.01 -1.26 -4.87 115.64 119.55 1qgf s THR 113 Ca 0.54 0.86 -0.25 0.00 0.31 0.00 0.00 61.69 63.15 1qgf s THR 113 Cb -0.10 -3.78 -0.09 0.00 0.01 0.00 0.00 72.50 68.53 1qgf s THR 113 CO 0.41 0.30 0.89 -0.76 -0.69 0.00 0.00 174.62 174.77 1qgf s LEU 114 N 0.86 4.36 0.00 4.42 1.02 -1.26 -4.80 118.68 123.28 1qgf s LEU 114 Ca 0.23 1.74 0.00 0.00 0.02 0.00 0.00 54.13 56.12 1qgf s LEU 114 Cb -0.15 -3.88 0.00 0.00 0.02 0.00 0.00 46.19 42.18 1qgf s LEU 114 CO 0.09 -0.03 0.00 -0.46 0.02 0.00 0.00 176.35 175.97 1qgf n ASN 115 N 0.66 0.00 0.22 2.29 0.23 -0.26 -4.96 115.26 113.44 1qgf n ASN 115 Ca 0.01 -0.61 0.15 0.00 -0.53 0.00 0.00 54.58 53.61 1qgf n ASN 115 Cb 0.50 0.00 0.65 0.00 -2.08 0.00 0.00 39.78 38.85 1qgf n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1qgf h SER 116 N 0.00 0.00 0.16 0.53 4.64 -1.99 -2.24 113.55 114.65 1qgf h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qgf h SER 116 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1qgf h SER 116 CO 0.00 0.00 -1.14 -1.22 -0.87 0.00 0.00 176.83 173.60 1qgf n TYR 117 N -2.74 0.07 -3.71 4.77 4.01 -1.26 -4.73 117.16 113.57 1qgf n TYR 117 Ca 0.01 0.02 -0.29 0.00 -0.16 0.00 0.00 57.90 57.48 1qgf n TYR 117 Cb 0.25 -0.23 -0.15 0.00 -0.31 0.00 0.00 39.34 38.90 1qgf n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1qgf s VAL 118 N -3.15 0.69 0.10 -0.72 1.01 -0.84 -3.66 120.40 113.83 1qgf s VAL 118 Ca 0.04 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 60.89 1qgf s VAL 118 Cb 0.15 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1qgf s VAL 118 CO 0.84 -0.58 -0.04 -1.10 0.00 0.00 0.00 175.10 174.22 1qgf s GLN 119 N 1.73 0.83 0.37 2.72 -1.52 -0.77 -1.10 119.66 121.91 1qgf s GLN 119 Ca 0.07 -1.35 -0.25 0.00 -1.95 0.00 0.00 55.36 51.89 1qgf s GLN 119 Cb -0.17 -0.10 -0.09 0.00 -0.22 0.00 0.00 33.01 32.43 1qgf s GLN 119 CO -0.23 -0.07 1.03 -0.51 -0.25 0.00 0.00 175.29 175.26 1qgf s LEU 120 N -3.04 4.22 0.16 2.90 1.43 -1.26 -3.36 118.68 119.73 1qgf s LEU 120 Ca 0.13 2.01 -0.28 0.00 -1.03 0.00 0.00 54.13 54.97 1qgf s LEU 120 Cb 0.06 -4.10 -0.07 0.00 0.03 0.00 0.00 46.19 42.11 1qgf s LEU 120 CO -0.04 -0.37 0.89 -0.83 0.23 0.00 0.00 176.35 176.23 1qgf s GLY 121 N -1.51 3.00 -0.03 -3.19 0.00 0.12 -4.83 107.32 100.87 1qgf s GLY 121 Ca 0.55 0.50 -0.27 0.00 0.00 0.00 0.00 44.72 45.50 1qgf s GLY 121 CO 0.28 1.19 0.85 -1.34 0.00 0.00 0.00 173.10 174.07 1qgf s VAL 122 N -0.66 4.95 0.02 1.40 -7.23 -1.26 -4.83 120.40 112.78 1qgf s VAL 122 Ca 0.41 1.77 0.00 0.00 -1.81 0.00 0.00 61.98 62.36 1qgf s VAL 122 Cb -0.24 -4.19 -0.04 0.00 0.56 0.00 0.00 36.38 32.47 1qgf s VAL 122 CO 0.29 0.21 0.09 -0.76 -0.31 0.00 0.00 175.10 174.61 1qgf s LEU 123 N 0.88 3.90 0.86 1.32 1.43 -1.26 -0.09 118.68 125.73 1qgf s LEU 123 Ca 0.45 0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.56 1qgf s LEU 123 Cb -0.20 -2.37 0.11 0.00 0.03 0.00 0.00 46.19 43.77 1qgf s LEU 123 CO 0.23 0.24 1.11 -2.16 0.23 0.00 0.00 176.35 176.00 1qgf s PRO 124 N -1.94 1.55 0.55 1.29 0.04 -1.26 -4.89 135.00 130.33 1qgf s PRO 124 Ca 0.25 1.21 -0.19 0.00 0.04 0.00 0.00 61.00 62.32 1qgf s PRO 124 Cb -0.12 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 1qgf s PRO 124 CO 0.17 -2.15 1.11 1.03 0.04 0.00 0.00 177.00 177.19 1qgf s ARG 125 N -4.81 3.37 0.24 4.56 0.52 -1.26 -4.80 118.95 116.78 1qgf s ARG 125 Ca 0.64 1.52 -0.31 0.00 -0.52 0.00 0.00 55.73 57.06 1qgf s ARG 125 Cb -0.19 -2.02 -0.14 0.00 0.52 0.00 0.00 34.95 33.12 1qgf s ARG 125 CO 0.57 -0.82 1.28 0.00 0.02 0.00 0.00 175.30 176.36 1qgf n ALA 126 N -1.40 0.47 -0.02 2.13 0.00 -1.26 -2.29 120.51 118.14 1qgf n ALA 126 Ca 0.11 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1qgf n ALA 126 Cb 0.51 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1qgf n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qgf n GLY 127 N 1.85 1.55 3.70 0.00 0.00 -0.65 -5.00 105.19 106.64 1qgf n GLY 127 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1qgf n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qgf s THR 128 N -2.55 2.74 -0.07 2.61 2.01 -0.97 -5.00 115.64 114.41 1qgf s THR 128 Ca 0.00 0.39 0.05 0.00 0.31 0.00 0.00 61.69 62.45 1qgf s THR 128 Cb 0.00 -3.25 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 1qgf s THR 128 CO 0.00 0.01 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.07 1qgf s ILE 129 N 1.90 2.11 0.29 1.82 -1.09 -1.26 -4.79 121.20 120.19 1qgf s ILE 129 Ca 0.73 -1.04 -0.21 0.00 -2.23 0.00 0.00 60.65 57.90 1qgf s ILE 129 Cb -0.43 -1.78 -0.09 0.00 -1.58 0.00 0.00 42.46 38.58 1qgf s ILE 129 CO 0.32 0.57 0.82 -0.76 -1.23 0.00 0.00 174.94 174.66 1qgf s LEU 130 N -0.05 4.25 0.66 2.97 1.43 -1.26 -5.04 118.68 121.62 1qgf s LEU 130 Ca -0.07 1.56 -0.16 0.00 -1.03 0.00 0.00 54.13 54.43 1qgf s LEU 130 Cb -0.15 -3.91 -0.00 0.00 0.03 0.00 0.00 46.19 42.16 1qgf s LEU 130 CO 0.05 -0.08 1.17 0.00 0.23 0.00 0.00 176.35 177.72 1qgf s ALA 131 N -1.70 2.39 0.37 4.21 0.00 -1.26 -4.86 121.76 120.90 1qgf s ALA 131 Ca 0.49 0.81 -0.26 0.00 0.00 0.00 0.00 51.96 53.01 1qgf s ALA 131 Cb -0.15 -3.41 -0.12 0.00 0.00 0.00 0.00 23.12 19.44 1qgf s ALA 131 CO 0.20 -1.41 0.98 -1.71 0.00 0.00 0.00 175.76 173.83 1qgf n ASN 132 N -2.19 1.15 -1.61 0.00 5.15 -1.26 -2.66 115.26 113.83 1qgf n ASN 132 Ca 0.12 1.08 -0.15 0.00 -0.60 0.00 0.00 54.58 55.03 1qgf n ASN 132 Cb 0.51 -1.32 -0.02 0.00 -0.53 0.00 0.00 39.78 38.42 1qgf n ASN 132 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1qgf n ASN 133 N 0.83 -4.62 -4.78 1.20 5.15 0.64 -4.93 115.26 108.74 1qgf n ASN 133 Ca 0.09 0.06 -0.37 0.00 -0.60 0.00 0.00 54.58 53.77 1qgf n ASN 133 Cb 0.37 -3.70 -0.04 0.00 -0.53 0.00 0.00 39.78 35.87 1qgf n ASN 133 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1qgf s SER 134 N -2.42 6.80 -0.20 1.20 0.01 -1.09 -4.58 113.70 113.42 1qgf s SER 134 Ca 0.00 2.04 -0.29 0.00 1.31 0.00 0.00 55.95 59.01 1qgf s SER 134 Cb 0.00 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 1qgf s SER 134 CO 0.00 -0.46 1.24 -2.16 0.41 0.00 0.00 173.24 172.27 1qgf s PRO 135 N -2.42 4.18 0.06 12.44 0.04 -1.26 -1.47 135.00 146.56 1qgf s PRO 135 Ca 0.57 1.55 -0.01 0.00 0.04 0.00 0.00 61.00 63.15 1qgf s PRO 135 Cb -0.22 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.50 1qgf s PRO 135 CO 0.28 -0.78 -0.03 0.00 0.04 0.00 0.00 177.00 176.52 1qgf s TYR 137 N -3.90 1.83 0.10 0.00 1.51 0.37 -0.96 117.35 116.30 1qgf s TYR 137 Ca 0.08 -0.53 -0.10 0.00 -1.01 0.00 0.00 57.07 55.51 1qgf s TYR 137 Cb 0.08 -1.23 -0.06 0.00 -0.11 0.00 0.00 41.96 40.64 1qgf s TYR 137 CO -0.09 -0.17 0.43 -1.50 -1.11 0.00 0.00 175.55 173.11 1qgf s ILE 138 N 0.00 5.05 0.05 2.71 2.07 0.11 -0.93 121.20 130.26 1qgf s ILE 138 Ca -0.04 0.49 0.04 0.00 -1.41 0.00 0.00 60.65 59.73 1qgf s ILE 138 Cb -0.12 -3.66 -0.02 0.00 0.13 0.00 0.00 42.46 38.79 1qgf s ILE 138 CO 0.02 0.24 -0.12 0.42 -1.91 0.00 0.00 174.94 173.60 1qgf s THR 139 N -1.45 0.92 0.00 4.00 -4.23 -1.21 -1.57 115.64 112.09 1qgf s THR 139 Ca 0.35 -1.10 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 1qgf s THR 139 Cb -0.14 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 72.82 1qgf s THR 139 CO 0.19 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1qgf n GLY 140 N 1.59 1.08 1.51 3.99 0.00 -0.59 -4.55 105.19 108.22 1qgf n GLY 140 Ca -0.20 -1.02 0.09 0.00 0.00 0.00 0.00 46.02 44.89 1qgf n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1qgf n TRP 141 N -0.60 1.49 -0.45 1.61 8.01 -1.26 -1.47 117.44 124.77 1qgf n TRP 141 Ca 0.00 -0.67 -0.29 0.00 -1.31 0.00 0.00 57.50 55.23 1qgf n TRP 141 Cb 0.00 -0.30 0.27 0.00 -2.01 0.00 0.00 31.31 29.27 1qgf n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1qgf s GLY 142 N -1.03 1.47 0.40 6.99 0.00 -1.24 -1.24 107.32 112.67 1qgf s GLY 142 Ca 0.49 -0.47 -0.24 0.00 0.00 0.00 0.00 44.72 44.49 1qgf s GLY 142 CO 0.20 0.40 0.85 1.04 0.00 0.00 0.00 173.10 175.59 1qgf n LEU 143 N -5.31 1.57 -0.21 0.66 4.77 0.56 -2.10 117.00 116.95 1qgf n LEU 143 Ca 0.07 1.02 0.12 0.00 -0.03 0.00 0.00 56.01 57.19 1qgf n LEU 143 Cb 0.57 -1.26 0.21 0.00 -2.33 0.00 0.00 43.42 40.62 1qgf n LEU 143 CO 0.51 -1.96 0.45 0.35 -1.33 0.00 0.00 177.39 175.41 1qgf n THR 144 N -0.51 0.00 -3.82 -5.08 -2.24 -0.60 -0.80 114.28 101.22 1qgf n THR 144 Ca 0.10 -0.11 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1qgf n THR 144 Cb 0.38 0.60 -0.09 0.00 -2.10 0.00 0.00 70.33 69.12 1qgf n THR 144 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1qgf s ARG 145 N -2.68 0.61 0.03 -0.78 0.52 -1.26 -4.24 118.95 111.16 1qgf s ARG 145 Ca 0.18 -0.38 -0.36 0.00 -0.52 0.00 0.00 55.73 54.65 1qgf s ARG 145 Cb 0.18 0.26 -0.15 0.00 0.52 0.00 0.00 34.95 35.76 1qgf s ARG 145 CO 0.62 -0.17 1.51 2.41 0.02 0.00 0.00 175.30 179.69 1qgf n THR 147 N 1.18 0.10 -2.36 0.02 -1.04 -1.26 -0.05 114.28 110.88 1qgf n THR 147 Ca -0.21 -0.02 -0.21 0.00 -2.04 0.00 0.00 64.05 61.57 1qgf n THR 147 Cb 0.57 -1.17 -0.01 0.00 -1.82 0.00 0.00 70.33 67.89 1qgf n THR 147 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1qgf n ASN 148 N 3.57 -5.90 0.00 8.00 3.02 -1.26 -4.97 115.26 117.73 1qgf n ASN 148 Ca 0.20 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 1qgf n ASN 148 Cb 0.22 -4.92 0.00 0.00 -0.61 0.00 0.00 39.78 34.46 1qgf n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qgf n GLY 149 N -0.98 2.05 3.29 7.41 0.00 0.93 -5.13 105.19 112.76 1qgf n GLY 149 Ca -0.25 -1.83 -0.18 0.00 0.00 0.00 0.00 46.02 43.76 1qgf n GLY 149 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qgf s GLN 150 N 4.38 1.16 0.81 1.61 -2.07 -1.26 -4.92 119.66 119.36 1qgf s GLN 150 Ca 0.00 -1.39 -0.14 0.00 -1.82 0.00 0.00 55.36 52.02 1qgf s GLN 150 Cb 0.00 -1.01 0.06 0.00 -1.09 0.00 0.00 33.01 30.97 1qgf s GLN 150 CO 0.00 0.18 1.03 1.28 -1.32 0.00 0.00 175.29 176.46 1qgf n LEU 151 N 0.16 3.46 -4.81 2.60 4.77 -1.26 -1.56 117.00 120.37 1qgf n LEU 151 Ca -0.12 0.57 -0.33 0.00 -0.03 0.00 0.00 56.01 56.09 1qgf n LEU 151 Cb 0.58 -1.44 -0.00 0.00 -2.33 0.00 0.00 43.42 40.23 1qgf n LEU 151 CO 0.30 -2.08 0.71 0.00 -1.33 0.00 0.00 177.39 174.99 1qgf s ALA 152 N -2.11 2.81 -0.15 -1.18 0.00 -0.37 -4.79 121.76 115.96 1qgf s ALA 152 Ca 0.71 0.41 -0.26 0.00 0.00 0.00 0.00 51.96 52.82 1qgf s ALA 152 Cb -0.29 -3.22 -0.24 0.00 0.00 0.00 0.00 23.12 19.36 1qgf s ALA 152 CO 0.53 -0.64 0.61 1.96 0.00 0.00 0.00 175.76 178.22 1qgf h GLN 153 N 0.72 0.03 -5.90 0.00 4.20 -1.94 -3.45 115.11 108.77 1qgf h GLN 153 Ca -0.47 -0.05 -0.62 0.00 0.06 0.00 0.00 58.65 57.56 1qgf h GLN 153 Cb 1.22 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.97 1qgf h GLN 153 CO 0.58 1.03 -0.45 0.95 -0.67 0.00 0.00 178.83 180.27 1qgf s THR 154 N -2.29 5.36 0.22 -0.54 -4.23 -1.26 -0.60 115.64 112.31 1qgf s THR 154 Ca -0.22 -0.13 -0.32 0.00 -1.18 0.00 0.00 61.69 59.84 1qgf s THR 154 Cb 0.00 -3.58 -0.13 0.00 1.34 0.00 0.00 72.50 70.13 1qgf s THR 154 CO 0.67 0.25 1.45 -0.11 -0.54 0.00 0.00 174.62 176.34 1qgf n LEU 155 N 0.69 3.14 -4.61 4.79 7.94 -0.44 -4.84 117.00 123.67 1qgf n LEU 155 Ca -0.08 1.13 -0.23 0.00 -1.11 0.00 0.00 56.01 55.71 1qgf n LEU 155 Cb 0.52 -1.43 -0.08 0.00 0.53 0.00 0.00 43.42 42.96 1qgf n LEU 155 CO 0.46 -0.43 -0.36 -1.10 -1.11 0.00 0.00 177.39 174.86 1qgf s GLN 156 N -0.12 2.16 0.02 1.96 -1.52 -0.54 -0.96 119.66 120.66 1qgf s GLN 156 Ca 0.70 -1.48 0.01 0.00 -1.95 0.00 0.00 55.36 52.64 1qgf s GLN 156 Cb -0.65 -2.08 -0.01 0.00 -0.22 0.00 0.00 33.01 30.04 1qgf s GLN 156 CO 0.47 0.36 -0.04 1.14 -0.25 0.00 0.00 175.29 176.97 1qgf s GLN 157 N -3.61 0.34 -0.04 2.91 -2.07 0.08 -1.54 119.66 115.73 1qgf s GLN 157 Ca 0.31 -0.45 -0.03 0.00 -1.82 0.00 0.00 55.36 53.37 1qgf s GLN 157 Cb -0.06 -0.15 0.01 0.00 -1.09 0.00 0.00 33.01 31.72 1qgf s GLN 157 CO 0.19 0.03 0.10 0.00 -1.32 0.00 0.00 175.29 174.28 1qgf s ALA 158 N -0.86 -0.23 -0.30 2.60 0.00 -0.61 -1.05 121.76 121.31 1qgf s ALA 158 Ca -0.07 0.32 -0.29 0.00 0.00 0.00 0.00 51.96 51.92 1qgf s ALA 158 Cb -0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 1qgf s ALA 158 CO -0.00 -0.06 1.32 -0.47 0.00 0.00 0.00 175.76 176.55 1qgf s TYR 159 N 0.22 2.64 -0.32 0.00 5.04 -1.26 -0.71 117.35 122.96 1qgf s TYR 159 Ca -0.01 0.84 0.01 0.00 -2.44 0.00 0.00 57.07 55.47 1qgf s TYR 159 Cb -0.02 -3.92 0.10 0.00 0.35 0.00 0.00 41.96 38.47 1qgf s TYR 159 CO -0.01 -1.80 0.08 -0.51 -1.34 0.00 0.00 175.55 171.97 1qgf s LEU 160 N 4.45 3.12 0.42 6.97 1.43 -0.13 -4.94 118.68 130.00 1qgf s LEU 160 Ca 0.57 -1.81 -0.24 0.00 -1.03 0.00 0.00 54.13 51.62 1qgf s LEU 160 Cb -0.17 -1.13 -0.08 0.00 0.03 0.00 0.00 46.19 44.83 1qgf s LEU 160 CO 0.24 -0.40 1.16 -2.16 0.23 0.00 0.00 176.35 175.42 1qgf s PRO 161 N 1.37 3.95 0.69 1.29 0.04 -1.26 -3.67 135.00 137.41 1qgf s PRO 161 Ca 0.10 1.80 -0.14 0.00 0.04 0.00 0.00 61.00 62.80 1qgf s PRO 161 Cb -0.18 -2.57 0.01 0.00 0.04 0.00 0.00 34.50 31.80 1qgf s PRO 161 CO -0.19 -0.39 1.12 0.95 0.04 0.00 0.00 177.00 178.52 1qgf s THR 162 N -1.47 3.16 -0.26 1.26 -4.23 -0.54 -0.33 115.64 113.23 1qgf s THR 162 Ca 0.59 0.51 0.03 0.00 -1.18 0.00 0.00 61.69 61.64 1qgf s THR 162 Cb -0.29 -3.02 0.06 0.00 1.34 0.00 0.00 72.50 70.58 1qgf s THR 162 CO 0.37 -0.36 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.30 1qgf s VAL 163 N -2.40 2.07 1.16 2.29 1.01 -0.30 -0.26 120.40 123.98 1qgf s VAL 163 Ca 0.67 -1.57 -0.13 0.00 0.00 0.00 0.00 61.98 60.95 1qgf s VAL 163 Cb -0.21 -2.20 0.28 0.00 0.00 0.00 0.00 36.38 34.25 1qgf s VAL 163 CO 0.44 -0.03 1.03 1.51 0.00 0.00 0.00 175.10 178.05 1qgf s ASP 164 N 1.15 0.99 0.14 3.32 1.47 -1.26 -3.97 116.67 118.51 1qgf s ASP 164 Ca -0.08 1.56 -0.19 0.00 1.18 0.00 0.00 52.55 55.02 1qgf s ASP 164 Cb -0.20 -2.32 0.00 0.00 -0.34 0.00 0.00 42.92 40.06 1qgf s ASP 164 CO -0.05 -4.20 1.71 0.22 0.68 0.00 0.00 175.17 173.53 1qgf h TYR 165 N -2.62 -0.03 -0.04 2.11 3.20 -1.93 0.30 116.97 117.96 1qgf h TYR 165 Ca -0.61 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.32 1qgf h TYR 165 Cb 1.33 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 39.60 1qgf h TYR 165 CO 0.27 -0.05 -0.28 0.00 -1.64 0.00 0.00 178.16 176.46 1qgf h ALA 166 N 1.22 -0.37 -0.24 1.82 0.00 -1.97 0.22 119.26 119.95 1qgf h ALA 166 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1qgf h ALA 166 Cb 0.16 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1qgf h ALA 166 CO -0.21 -0.78 0.01 0.82 0.00 0.00 0.00 179.25 179.10 1qgf h ILE 167 N -0.41 1.25 -0.18 0.00 2.04 -1.87 -3.14 117.51 115.20 1qgf h ILE 167 Ca 0.07 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 65.03 1qgf h ILE 167 Cb 0.51 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1qgf h ILE 167 CO -0.27 0.27 -0.07 0.00 0.00 0.00 0.00 178.15 178.08 1qgf n SER 169 N -4.31 5.73 0.00 0.00 3.41 0.75 -1.38 113.62 117.82 1qgf n SER 169 Ca -0.00 -3.21 0.00 0.00 -0.26 0.00 0.00 58.87 55.40 1qgf n SER 169 Cb 0.24 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 62.78 1qgf n SER 169 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1qgf n SER 170 N 2.91 0.00 0.00 4.04 3.41 -1.26 -3.49 113.62 119.23 1qgf n SER 170 Ca 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1qgf n SER 170 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1qgf n SER 170 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1qgf n TYR 171 N 0.00 0.00 1.04 7.33 4.02 -1.26 -4.86 117.16 123.43 1qgf n TYR 171 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.01 1qgf n TYR 171 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 39.34 39.41 1qgf n TYR 171 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1qgf n TRP 172 N 0.00 0.00 -3.62 -0.72 7.02 -0.48 -4.87 117.44 114.78 1qgf n TRP 172 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1qgf n TRP 172 Cb 0.00 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 28.88 1qgf n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1qgf n GLY 173 N 1.38 2.02 0.00 6.99 0.00 -1.23 -2.11 105.19 112.24 1qgf n GLY 173 Ca 0.12 -0.42 0.07 0.00 0.00 0.00 0.00 46.02 45.78 1qgf n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qgf n SER 174 N -0.95 0.00 -0.02 1.61 3.41 -1.26 -2.88 113.62 113.53 1qgf n SER 174 Ca 0.00 0.21 -0.02 0.00 -0.26 0.00 0.00 58.87 58.79 1qgf n SER 174 Cb 0.00 -0.35 0.24 0.00 -0.26 0.00 0.00 64.21 63.84 1qgf n SER 174 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1qgf h THR 175 N 0.00 1.23 -3.33 6.66 2.02 -1.79 -3.41 112.91 114.28 1qgf h THR 175 Ca 0.00 -0.97 -0.56 0.00 0.77 0.00 0.00 66.41 65.65 1qgf h THR 175 Cb 0.17 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 1qgf h THR 175 CO 0.00 0.33 0.03 -0.69 0.37 0.00 0.00 175.52 175.56 1qgf s VAL 176 N -4.84 4.81 0.37 3.16 1.01 -1.14 -4.77 120.40 119.01 1qgf s VAL 176 Ca -0.08 1.35 0.08 0.00 0.00 0.00 0.00 61.98 63.33 1qgf s VAL 176 Cb 0.15 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1qgf s VAL 176 CO 0.78 0.43 0.16 -0.54 0.00 0.00 0.00 175.10 175.94 1qgf s LYS 177 N -0.36 2.31 0.00 2.72 -0.14 -1.26 -4.85 119.74 118.16 1qgf s LYS 177 Ca 0.32 -1.66 0.26 0.00 -1.36 0.00 0.00 55.97 53.54 1qgf s LYS 177 Cb -0.19 -2.11 1.27 0.00 -1.68 0.00 0.00 37.83 35.12 1qgf s LYS 177 CO 0.19 0.02 1.87 -1.71 -0.76 0.00 0.00 175.35 174.96 1qgf n ASN 178 N -1.19 0.00 -0.20 2.83 5.15 -1.26 -1.67 115.26 118.92 1qgf n ASN 178 Ca -0.02 0.04 0.04 0.00 -0.60 0.00 0.00 54.58 54.04 1qgf n ASN 178 Cb 0.62 -0.33 0.17 0.00 -0.53 0.00 0.00 39.78 39.71 1qgf n ASN 178 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1qgf n SER 179 N -1.33 0.58 -4.41 1.20 3.41 -1.26 -4.85 113.62 106.95 1qgf n SER 179 Ca 0.11 -1.87 -0.24 0.00 -0.26 0.00 0.00 58.87 56.61 1qgf n SER 179 Cb 0.23 -0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 64.00 1qgf n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1qgf s MET 180 N -1.87 1.51 -0.10 4.33 -1.94 -0.67 -0.88 119.30 119.68 1qgf s MET 180 Ca 0.13 -1.60 0.01 0.00 -1.71 0.00 0.00 55.69 52.52 1qgf s MET 180 Cb 0.07 -1.64 -0.02 0.00 2.01 0.00 0.00 34.83 35.25 1qgf s MET 180 CO 0.10 0.32 -0.13 0.08 -0.01 0.00 0.00 175.02 175.38 1qgf s VAL 181 N -2.21 3.13 -0.04 -6.03 1.01 0.77 -4.70 120.40 112.33 1qgf s VAL 181 Ca 0.23 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1qgf s VAL 181 Cb -0.06 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1qgf s VAL 181 CO 0.11 0.55 0.05 0.00 0.00 0.00 0.00 175.10 175.81 1qgf s ALA 183 N -1.06 -0.61 0.00 0.00 0.00 -0.24 -1.15 121.76 118.71 1qgf s ALA 183 Ca 0.18 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1qgf s ALA 183 Cb -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.77 1qgf s ALA 183 CO 0.08 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.09 1qgf n GLY 184 N 2.35 0.70 0.99 0.00 0.00 0.56 -1.47 105.19 108.32 1qgf n GLY 184 Ca -0.16 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1qgf n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qgf n GLY 185 N 0.00 0.71 0.05 -0.02 0.00 -1.26 -4.63 105.19 100.03 1qgf n GLY 185 Ca 0.00 -0.36 0.14 0.00 0.00 0.00 0.00 46.02 45.80 1qgf n GLY 185 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qgf n ASP 186 N 0.65 0.29 0.00 1.61 5.75 -1.26 -1.62 116.55 121.97 1qgf n ASP 186 Ca 0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 54.79 54.64 1qgf n ASP 186 Cb 0.00 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 1qgf n ASP 186 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qgf n GLY 187 N 1.40 1.09 0.75 6.12 0.00 -1.26 -4.77 105.19 108.52 1qgf n GLY 187 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1qgf n GLY 187 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qgf n VAL 188 N -2.00 0.00 -4.55 1.61 0.31 -1.26 -4.65 118.33 107.79 1qgf n VAL 188 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 1qgf n VAL 188 Cb 0.00 -1.20 -0.11 0.00 -0.91 0.00 0.00 33.84 31.62 1qgf n VAL 188 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1qgf s ARG 188 N -1.99 2.60 -0.04 5.55 0.52 -1.26 -3.65 118.95 120.68 1qgf s ARG 188 Ca 0.00 -0.67 -0.31 0.00 -0.52 0.00 0.00 55.73 54.23 1qgf s ARG 188 Cb 0.00 -2.51 0.13 0.00 0.52 0.00 0.00 34.95 33.09 1qgf s ARG 188 CO 0.00 0.62 1.32 -1.54 0.02 0.00 0.00 175.30 175.72 1qgf s SER 189 N -1.16 -0.05 0.69 0.23 1.04 -0.82 -4.34 113.70 109.29 1qgf s SER 189 Ca 0.15 -0.11 -0.09 0.00 0.48 0.00 0.00 55.95 56.39 1qgf s SER 189 Cb -0.11 0.13 0.04 0.00 0.10 0.00 0.00 66.02 66.17 1qgf s SER 189 CO 0.05 -0.24 1.03 -0.83 0.98 0.00 0.00 173.24 174.23 1qgf s GLY 190 N -2.97 1.63 0.33 7.32 0.00 -1.26 -0.65 107.32 111.72 1qgf s GLY 190 Ca 0.14 -0.65 -0.08 0.00 0.00 0.00 0.00 44.72 44.13 1qgf s GLY 190 CO -0.05 -0.28 0.55 0.00 0.00 0.00 0.00 173.10 173.32 1qgf n GLN 192 N -0.51 2.06 0.00 0.00 3.00 -1.26 -1.03 117.38 119.63 1qgf n GLN 192 Ca -0.02 0.74 0.00 0.00 -0.01 0.00 0.00 57.00 57.71 1qgf n GLN 192 Cb 0.61 -2.45 0.00 0.00 0.00 0.00 0.00 30.24 28.41 1qgf n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1qgf n GLY 193 N 2.75 1.40 0.09 1.08 0.00 -1.26 -0.32 105.19 108.93 1qgf n GLY 193 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 1qgf n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qgf h ASP 194 N 0.00 0.00 -1.10 1.61 3.32 -1.37 -3.31 116.42 115.58 1qgf h ASP 194 Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 1qgf h ASP 194 Cb 0.00 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.65 1qgf h ASP 194 CO 0.00 0.61 -0.43 -1.20 -1.72 0.00 0.00 179.24 176.50 1qgf n SER 195 N -2.91 -0.95 0.00 6.45 7.64 -1.26 -1.96 113.62 120.63 1qgf n SER 195 Ca -0.10 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.92 1qgf n SER 195 Cb 0.85 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1qgf n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qgf n GLY 196 N 1.91 2.91 3.42 0.23 0.00 0.98 -0.60 105.19 114.04 1qgf n GLY 196 Ca 0.18 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 1qgf n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qgf n GLY 197 N 0.00 -2.60 3.87 -0.02 0.00 -0.83 -3.33 105.19 102.27 1qgf n GLY 197 Ca 0.00 -1.52 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 1qgf n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qgf s PRO 198 N -5.45 3.84 -0.34 1.61 0.04 -1.26 -0.72 135.00 132.72 1qgf s PRO 198 Ca 0.69 0.51 -0.04 0.00 0.04 0.00 0.00 61.00 62.20 1qgf s PRO 198 Cb -0.06 -2.41 0.06 0.00 0.04 0.00 0.00 34.50 32.12 1qgf s PRO 198 CO 0.52 0.03 0.08 -1.17 0.04 0.00 0.00 177.00 176.50 1qgf s LEU 199 N -3.57 4.33 -0.20 -3.56 2.96 -0.49 -3.31 118.68 114.84 1qgf s LEU 199 Ca 0.52 -1.38 -0.16 0.00 -0.22 0.00 0.00 54.13 52.89 1qgf s LEU 199 Cb -0.10 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1qgf s LEU 199 CO 0.27 -0.34 0.41 -1.00 -1.32 0.00 0.00 176.35 174.37 1qgf s HIS 200 N 1.29 3.38 -0.04 5.38 3.76 -0.11 -1.07 115.29 127.88 1qgf s HIS 200 Ca -0.01 0.63 0.05 0.00 -0.15 0.00 0.00 55.06 55.58 1qgf s HIS 200 Cb -0.20 -2.54 -0.01 0.00 1.11 0.00 0.00 32.58 30.94 1qgf s HIS 200 CO -0.00 -0.01 -0.20 0.00 -0.85 0.00 0.00 174.74 173.68 1qgf s LEU 202 N -0.16 3.91 -0.07 0.00 2.96 -0.70 -0.96 118.68 123.65 1qgf s LEU 202 Ca -0.00 0.65 -0.01 0.00 -0.22 0.00 0.00 54.13 54.55 1qgf s LEU 202 Cb -0.11 -3.39 0.03 0.00 0.50 0.00 0.00 46.19 43.22 1qgf s LEU 202 CO 0.02 -0.96 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.39 1qgf s VAL 203 N 3.74 0.40 -1.53 1.68 1.01 -0.56 -4.73 120.40 120.42 1qgf s VAL 203 Ca 0.42 0.08 -0.13 0.00 0.00 0.00 0.00 61.98 62.35 1qgf s VAL 203 Cb -0.11 -0.53 0.08 0.00 0.00 0.00 0.00 36.38 35.82 1qgf s VAL 203 CO 0.21 0.25 0.93 0.59 0.00 0.00 0.00 175.10 177.08 1qgf n ASN 204 N 4.92 -4.20 0.00 3.32 3.02 -1.26 -1.94 115.26 119.12 1qgf n ASN 204 Ca -0.11 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1qgf n ASN 204 Cb 0.50 -3.77 0.00 0.00 -0.61 0.00 0.00 39.78 35.90 1qgf n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qgf n GLY 205 N -1.67 2.14 3.25 7.41 0.00 -1.26 -5.01 105.19 110.05 1qgf n GLY 205 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1qgf n GLY 205 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1qgf s GLN 206 N -0.31 2.40 0.19 1.61 0.74 -0.82 -5.10 119.66 118.37 1qgf s GLN 206 Ca 0.00 -0.86 -0.30 0.00 0.05 0.00 0.00 55.36 54.25 1qgf s GLN 206 Cb 0.00 -2.05 -0.08 0.00 1.10 0.00 0.00 33.01 31.98 1qgf s GLN 206 CO 0.00 0.37 1.13 0.71 -0.55 0.00 0.00 175.29 176.96 1qgf s TYR 207 N -0.17 3.53 0.08 1.67 2.02 -1.26 -1.49 117.35 121.73 1qgf s TYR 207 Ca -0.03 1.55 0.04 0.00 -0.37 0.00 0.00 57.07 58.27 1qgf s TYR 207 Cb -0.13 -3.33 -0.03 0.00 -0.40 0.00 0.00 41.96 38.07 1qgf s TYR 207 CO 0.03 -0.80 -0.11 0.00 -1.57 0.00 0.00 175.55 173.10 1qgf s ALA 208 N -0.29 1.03 -0.67 3.71 0.00 -0.14 -4.69 121.76 120.71 1qgf s ALA 208 Ca 0.50 -1.04 -0.24 0.00 0.00 0.00 0.00 51.96 51.18 1qgf s ALA 208 Cb -0.31 -0.01 0.06 0.00 0.00 0.00 0.00 23.12 22.86 1qgf s ALA 208 CO 0.36 0.04 1.04 0.08 0.00 0.00 0.00 175.76 177.28 1qgf s VAL 209 N -1.82 4.19 -0.38 0.00 1.01 0.88 -0.11 120.40 124.16 1qgf s VAL 209 Ca -0.00 -0.12 0.23 0.00 0.00 0.00 0.00 61.98 62.08 1qgf s VAL 209 Cb -0.07 -4.73 -0.05 0.00 0.00 0.00 0.00 36.38 31.53 1qgf s VAL 209 CO 0.01 -1.52 1.04 1.41 0.00 0.00 0.00 175.10 176.03 1qgf n HIS 210 N 8.08 0.64 -4.07 5.22 8.25 -0.23 -4.31 115.22 128.80 1qgf n HIS 210 Ca -0.02 0.19 -0.11 0.00 -0.26 0.00 0.00 57.72 57.52 1qgf n HIS 210 Cb 0.46 -0.74 -0.11 0.00 1.12 0.00 0.00 29.99 30.72 1qgf n HIS 210 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1qgf s GLY 211 N -4.08 0.51 -0.28 -1.41 0.00 -1.15 -1.34 107.32 99.57 1qgf s GLY 211 Ca 0.01 -0.90 -0.04 0.00 0.00 0.00 0.00 44.72 43.79 1qgf s GLY 211 CO 0.79 -0.98 0.00 0.14 0.00 0.00 0.00 173.10 173.06 1qgf s VAL 212 N -2.12 3.28 0.09 1.40 1.01 -0.60 -1.39 120.40 122.07 1qgf s VAL 212 Ca -0.05 -1.00 -0.35 0.00 0.00 0.00 0.00 61.98 60.59 1qgf s VAL 212 Cb -0.05 -2.73 -0.14 0.00 0.00 0.00 0.00 36.38 33.46 1qgf s VAL 212 CO -0.02 0.08 1.59 0.41 0.00 0.00 0.00 175.10 177.17 1qgf n THR 213 N 4.73 0.11 0.01 3.92 -1.04 0.10 -0.38 114.28 121.74 1qgf n THR 213 Ca -0.15 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1qgf n THR 213 Cb 0.46 -1.45 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 1qgf n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1qgf n SER 214 N 3.88 0.18 -3.66 8.00 2.88 -0.16 -0.01 113.62 124.73 1qgf n SER 214 Ca 0.19 0.03 -0.10 0.00 -1.33 0.00 0.00 58.87 57.65 1qgf n SER 214 Cb 0.27 -0.05 -0.03 0.00 -0.75 0.00 0.00 64.21 63.64 1qgf n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1qgf s PHE 215 N -2.00 -0.24 0.33 0.66 -0.12 -0.79 -4.93 117.98 110.89 1qgf s PHE 215 Ca 0.00 -0.08 0.03 0.00 -0.05 0.00 0.00 56.93 56.83 1qgf s PHE 215 Cb 0.00 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 1qgf s PHE 215 CO 0.00 -0.90 0.12 0.14 -0.05 0.00 0.00 175.22 174.53 1qgf s VAL 216 N -3.84 0.62 0.64 -2.49 -7.23 -1.26 -1.26 120.40 105.58 1qgf s VAL 216 Ca 0.06 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.06 1qgf s VAL 216 Cb -0.01 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.37 1qgf s VAL 216 CO -0.06 0.00 1.26 -0.55 -0.31 0.00 0.00 175.10 175.44 1qgf s SER 217 N -3.46 4.76 0.50 4.85 0.15 -1.22 -4.91 113.70 114.38 1qgf s SER 217 Ca 0.33 2.51 0.31 0.00 0.70 0.00 0.00 55.95 59.81 1qgf s SER 217 Cb 0.06 -2.61 1.23 0.00 -1.71 0.00 0.00 66.02 62.99 1qgf s SER 217 CO 0.16 -1.89 1.92 0.03 1.20 0.00 0.00 173.24 174.65 1qgf h ARG 217 N 0.57 0.00 -0.47 5.44 3.08 -2.00 -2.59 114.38 118.41 1qgf h ARG 217 Ca -0.50 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.44 1qgf h ARG 217 Cb 1.32 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.35 1qgf h ARG 217 CO 0.53 0.00 -0.15 1.25 -1.07 0.00 0.00 179.97 180.54 1qgf h LEU 218 N 0.00 0.89 0.00 3.04 6.46 -2.04 -3.48 115.31 120.18 1qgf h LEU 218 Ca 0.00 -0.30 0.00 0.00 -0.12 0.00 0.00 57.88 57.46 1qgf h LEU 218 Cb 0.53 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.22 1qgf h LEU 218 CO 0.00 1.04 0.00 0.61 -0.62 0.00 0.00 178.44 179.47 1qgf n GLY 219 N -0.30 -0.58 0.12 3.75 0.00 -0.98 -5.05 105.19 102.16 1qgf n GLY 219 Ca 0.01 -1.18 -0.04 0.00 0.00 0.00 0.00 46.02 44.81 1qgf n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qgf s ASN 221 N -4.79 6.91 -0.14 0.00 4.22 -1.26 -4.70 114.94 115.17 1qgf s ASN 221 Ca -0.03 -2.74 0.02 0.00 -2.14 0.00 0.00 52.86 47.97 1qgf s ASN 221 Cb 0.00 -2.32 0.00 0.00 1.28 0.00 0.00 41.25 40.21 1qgf s ASN 221 CO 0.10 -0.72 -0.19 -0.69 -2.04 0.00 0.00 177.10 173.56 1qgf s VAL 221 N 1.07 2.37 0.28 3.54 1.01 -1.26 -4.64 120.40 122.77 1qgf s VAL 221 Ca 0.32 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 1qgf s VAL 221 Cb -0.06 -1.96 -0.12 0.00 0.00 0.00 0.00 36.38 34.24 1qgf s VAL 221 CO -0.07 0.54 1.63 0.41 0.00 0.00 0.00 175.10 177.61 1qgf n THR 222 N 3.91 0.84 -1.37 3.92 -1.04 -1.26 -1.34 114.28 117.94 1qgf n THR 222 Ca -0.19 -0.21 -0.13 0.00 -2.04 0.00 0.00 64.05 61.48 1qgf n THR 222 Cb 0.52 -2.00 -0.05 0.00 -1.82 0.00 0.00 70.33 66.98 1qgf n THR 222 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1qgf n ARG 223 N 2.50 -0.98 -3.39 -2.82 5.12 -0.64 -4.92 116.66 111.53 1qgf n ARG 223 Ca 0.10 0.94 -0.26 0.00 -1.93 0.00 0.00 57.85 56.70 1qgf n ARG 223 Cb 0.37 -5.01 -0.08 0.00 -1.16 0.00 0.00 32.46 26.57 1qgf n ARG 223 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1qgf n LYS 224 N -2.45 1.51 -1.31 5.56 4.76 -0.45 -4.27 118.16 121.50 1qgf n LYS 224 Ca -0.13 -3.94 -0.35 0.00 -2.87 0.00 0.00 58.31 51.02 1qgf n LYS 224 Cb 0.44 -1.81 0.10 0.00 -1.84 0.00 0.00 35.03 31.93 1qgf n LYS 224 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1qgf n PRO 225 N 1.41 0.47 -1.87 1.97 -0.04 -1.26 -4.48 135.00 131.19 1qgf n PRO 225 Ca 0.25 0.22 -0.40 0.00 -0.04 0.00 0.00 63.50 63.54 1qgf n PRO 225 Cb 0.46 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 1qgf n PRO 225 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1qgf s THR 226 N -1.88 2.22 -0.08 0.52 2.01 -0.54 -4.73 115.64 113.16 1qgf s THR 226 Ca 0.75 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.97 1qgf s THR 226 Cb -0.33 -3.12 -0.02 0.00 0.01 0.00 0.00 72.50 69.04 1qgf s THR 226 CO 0.49 0.04 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.63 1qgf s VAL 227 N -1.18 3.08 0.09 3.82 1.01 -0.39 -1.08 120.40 125.75 1qgf s VAL 227 Ca 0.56 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.93 1qgf s VAL 227 Cb -0.43 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 1qgf s VAL 227 CO 0.57 0.56 -0.20 -0.36 0.00 0.00 0.00 175.10 175.67 1qgf s PHE 228 N -0.27 1.74 0.14 5.22 0.40 0.67 -0.98 117.98 124.89 1qgf s PHE 228 Ca 0.02 -0.41 -0.31 0.00 -0.60 0.00 0.00 56.93 55.63 1qgf s PHE 228 Cb -0.13 -0.97 -0.08 0.00 0.51 0.00 0.00 43.02 42.34 1qgf s PHE 228 CO 0.03 0.17 1.40 0.99 0.70 0.00 0.00 175.22 178.50 1qgf s THR 229 N -1.08 3.19 -0.56 0.64 2.01 0.49 -0.16 115.64 120.17 1qgf s THR 229 Ca 0.06 0.88 -0.28 0.00 0.31 0.00 0.00 61.69 62.65 1qgf s THR 229 Cb -0.10 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 68.88 1qgf s THR 229 CO 0.04 0.08 1.26 -0.60 -0.69 0.00 0.00 174.62 174.70 1qgf s ARG 230 N 0.89 3.48 0.27 4.92 3.52 -0.06 -1.55 118.95 130.42 1qgf s ARG 230 Ca 0.64 0.36 -0.00 0.00 -0.13 0.00 0.00 55.73 56.60 1qgf s ARG 230 Cb -0.38 -4.03 0.50 0.00 -1.56 0.00 0.00 34.95 29.48 1qgf s ARG 230 CO 0.32 -1.72 1.83 0.28 -0.81 0.00 0.00 175.30 175.20 1qgf h VAL 231 N 6.24 0.93 0.00 7.11 2.07 -1.50 -1.72 116.25 129.37 1qgf h VAL 231 Ca -0.25 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1qgf h VAL 231 Cb 1.07 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1qgf h VAL 231 CO 1.17 0.18 0.00 -1.54 0.02 0.00 0.00 177.57 177.40 1qgf n SER 232 N -4.64 0.08 0.11 0.57 3.41 -1.26 -1.23 113.62 110.66 1qgf n SER 232 Ca 0.17 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.44 1qgf n SER 232 Cb 0.32 -0.54 0.31 0.00 -0.26 0.00 0.00 64.21 64.04 1qgf n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qgf h ALA 233 N 2.25 0.88 -0.11 7.33 0.00 -1.65 -1.73 119.26 126.23 1qgf h ALA 233 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qgf h ALA 233 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1qgf h ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 1qgf n TYR 234 N -2.34 0.26 -0.21 0.00 4.02 -0.36 -4.80 117.16 113.73 1qgf n TYR 234 Ca 0.05 -0.74 -0.06 0.00 -0.01 0.00 0.00 57.90 57.14 1qgf n TYR 234 Cb 0.45 -0.13 0.04 0.00 -0.02 0.00 0.00 39.34 39.68 1qgf n TYR 234 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1qgf h ILE 235 N 0.69 1.13 -0.47 -0.72 1.08 -1.70 -0.00 117.51 117.53 1qgf h ILE 235 Ca 0.00 -0.27 -0.03 0.00 -0.39 0.00 0.00 64.86 64.17 1qgf h ILE 235 Cb 0.89 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.90 1qgf h ILE 235 CO 0.04 0.14 0.17 0.28 -0.69 0.00 0.00 178.15 178.09 1qgf h SER 236 N 0.79 0.66 -0.25 1.72 0.02 -1.91 -0.62 113.55 113.96 1qgf h SER 236 Ca 0.22 -0.19 0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1qgf h SER 236 Cb -0.07 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.26 1qgf h SER 236 CO -0.06 0.67 0.02 -0.25 -1.14 0.00 0.00 176.83 176.08 1qgf h TRP 237 N 0.62 0.03 -0.09 3.45 7.01 -1.78 0.15 115.95 125.33 1qgf h TRP 237 Ca 0.15 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.17 1qgf h TRP 237 Cb 0.23 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.31 1qgf h TRP 237 CO 0.01 -0.01 0.06 0.82 -2.79 0.00 0.00 178.44 176.52 1qgf h ILE 238 N 0.11 1.02 -0.87 2.65 2.04 -0.79 -1.31 117.51 120.35 1qgf h ILE 238 Ca 0.12 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.96 1qgf h ILE 238 Cb 0.14 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 1qgf h ILE 238 CO -0.18 0.02 0.57 0.78 0.00 0.00 0.00 178.15 179.34 1qgf h ASN 239 N 0.12 0.97 -0.68 1.72 -0.26 -0.94 -1.85 115.58 114.66 1qgf h ASN 239 Ca 0.04 -0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.72 1qgf h ASN 239 Cb -0.01 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 36.99 1qgf h ASN 239 CO -0.01 0.68 0.26 0.78 -1.06 0.00 0.00 177.43 178.08 1qgf h ASN 240 N 1.14 0.95 -0.04 5.81 2.35 -0.38 -1.25 115.58 124.15 1qgf h ASN 240 Ca 0.33 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1qgf h ASN 240 Cb -0.07 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.05 1qgf h ASN 240 CO -0.09 0.87 0.02 0.58 -1.65 0.00 0.00 177.43 177.15 1qgf h VAL 241 N 0.97 1.15 -0.54 2.81 2.07 -0.92 -2.10 116.25 119.69 1qgf h VAL 241 Ca 0.23 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1qgf h VAL 241 Cb 0.22 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1qgf h VAL 241 CO -0.02 0.13 0.18 0.40 0.02 0.00 0.00 177.57 178.28 1qgf h ILE 242 N -0.11 1.21 -0.04 4.57 2.04 -1.21 -2.12 117.51 121.85 1qgf h ILE 242 Ca 0.01 -0.70 -0.12 0.00 1.00 0.00 0.00 64.86 65.06 1qgf h ILE 242 Cb 0.19 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1qgf h ILE 242 CO -0.00 0.27 -0.53 0.00 0.00 0.00 0.00 178.15 177.89 1qgf h ALA 243 N 1.42 1.05 -0.03 1.87 0.00 -1.18 -3.21 119.26 119.18 1qgf h ALA 243 Ca 0.18 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1qgf h ALA 243 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1qgf h ALA 243 CO -0.01 0.67 -0.04 -1.13 0.00 0.00 0.00 179.25 178.74 1qgf n SER 244 N -3.92 2.70 0.00 0.00 3.41 -0.80 -5.10 113.62 109.92 1qgf n SER 244 Ca -0.02 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 1qgf n SER 244 Cb 0.55 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1qgf n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47