#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qix s VAL 17 N 0.00 4.81 -1.04 2.52 1.01 0.17 -4.14 120.40 123.73 1qix s VAL 17 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.06 1qix s VAL 17 Cb 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1qix s VAL 17 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1qix n GLY 18 N 1.57 0.44 4.03 4.51 0.00 -1.24 -2.44 105.19 112.06 1qix n GLY 18 Ca -0.10 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 1qix n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qix s GLY 19 N -2.65 1.71 0.21 -0.02 0.00 -1.26 -4.82 107.32 100.48 1qix s GLY 19 Ca 0.00 -2.14 0.07 0.00 0.00 0.00 0.00 44.72 42.65 1qix s GLY 19 CO 0.00 -1.61 -0.13 -0.51 0.00 0.00 0.00 173.10 170.85 1qix s THR 20 N -2.83 1.69 0.11 0.90 -4.23 0.16 -4.91 115.64 106.54 1qix s THR 20 Ca 0.64 -2.19 -0.31 0.00 -1.18 0.00 0.00 61.69 58.65 1qix s THR 20 Cb -0.05 -2.09 -0.07 0.00 1.34 0.00 0.00 72.50 71.63 1qix s THR 20 CO 0.41 -0.56 1.31 -0.70 -0.54 0.00 0.00 174.62 174.54 1qix s GLU 21 N -3.66 4.37 0.44 3.99 2.12 -1.26 -0.79 118.70 123.91 1qix s GLU 21 Ca 0.23 1.96 -0.21 0.00 0.36 0.00 0.00 54.97 57.31 1qix s GLU 21 Cb 0.00 -3.28 -0.10 0.00 0.26 0.00 0.00 34.13 31.01 1qix s GLU 21 CO 0.07 -0.34 0.98 0.00 -0.54 0.00 0.00 175.26 175.43 1qix s ALA 22 N 0.94 2.99 0.50 6.30 0.00 -0.25 -4.82 121.76 127.42 1qix s ALA 22 Ca 0.61 0.48 -0.22 0.00 0.00 0.00 0.00 51.96 52.83 1qix s ALA 22 Cb -0.34 -3.19 -0.06 0.00 0.00 0.00 0.00 23.12 19.53 1qix s ALA 22 CO 0.31 -0.02 1.20 -0.65 0.00 0.00 0.00 175.76 176.60 1qix s GLN 23 N -3.14 3.52 0.40 0.00 -1.52 -1.26 -4.87 119.66 112.79 1qix s GLN 23 Ca 0.63 1.85 0.28 0.00 -1.95 0.00 0.00 55.36 56.18 1qix s GLN 23 Cb -0.12 -2.29 1.39 0.00 -0.22 0.00 0.00 33.01 31.78 1qix s GLN 23 CO 0.16 -0.77 1.86 0.07 -0.25 0.00 0.00 175.29 176.35 1qix h ARG 24 N 1.73 0.00 -0.21 2.91 0.11 -1.98 -2.65 114.38 114.28 1qix h ARG 24 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1qix h ARG 24 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 1qix h ARG 24 CO 0.59 0.00 0.00 0.27 0.10 0.00 0.00 179.97 180.93 1qix n ASN 25 N -2.52 3.22 0.09 0.08 6.94 -1.26 -4.73 115.26 117.08 1qix n ASN 25 Ca -0.01 -2.70 -0.16 0.00 -0.02 0.00 0.00 54.58 51.70 1qix n ASN 25 Cb 0.13 -0.40 -0.14 0.00 -2.36 0.00 0.00 39.78 37.01 1qix n ASN 25 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1qix h SER 26 N 1.38 0.40 -2.09 0.53 0.02 -1.82 -3.40 113.55 108.56 1qix h SER 26 Ca 0.00 -0.45 -0.56 0.00 -0.84 0.00 0.00 61.79 59.93 1qix h SER 26 Cb 1.11 -0.13 -0.40 0.00 0.14 0.00 0.00 62.40 63.12 1qix h SER 26 CO 0.11 1.36 -0.92 0.79 -1.14 0.00 0.00 176.83 177.03 1qix n TRP 27 N -3.50 1.41 0.33 3.45 7.02 -1.26 -4.95 117.44 119.93 1qix n TRP 27 Ca -0.10 -3.83 0.04 0.00 -1.02 0.00 0.00 57.50 52.59 1qix n TRP 27 Cb 1.03 -0.44 0.19 0.00 -2.42 0.00 0.00 31.31 29.67 1qix n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 1qix n PRO 28 N 0.88 0.05 0.01 -0.99 -0.04 -1.26 -2.20 135.00 131.45 1qix n PRO 28 Ca 0.25 0.29 0.12 0.00 -0.04 0.00 0.00 63.50 64.13 1qix n PRO 28 Cb 0.50 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.73 1qix n PRO 28 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1qix n SER 29 N -1.40 0.48 -4.72 3.54 3.41 -1.22 -2.47 113.62 111.24 1qix n SER 29 Ca 0.03 -0.09 -0.42 0.00 -0.26 0.00 0.00 58.87 58.13 1qix n SER 29 Cb 0.08 0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 1qix n SER 29 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1qix s GLN 30 N -3.03 4.28 0.25 4.33 2.00 -0.94 -0.62 119.66 125.93 1qix s GLN 30 Ca 0.10 2.21 0.11 0.00 -2.00 0.00 0.00 55.36 55.78 1qix s GLN 30 Cb 0.17 -3.19 -0.05 0.00 0.80 0.00 0.00 33.01 30.74 1qix s GLN 30 CO 0.69 -0.47 -0.18 0.96 -0.50 0.00 0.00 175.29 175.79 1qix s ILE 31 N 0.83 2.63 -0.20 -2.34 -5.25 -0.45 -4.50 121.20 111.92 1qix s ILE 31 Ca 0.65 -2.22 -0.06 0.00 -0.99 0.00 0.00 60.65 58.03 1qix s ILE 31 Cb -0.40 -2.35 -0.03 0.00 2.95 0.00 0.00 42.46 42.63 1qix s ILE 31 CO 0.34 -0.32 0.02 -0.55 -1.79 0.00 0.00 174.94 172.63 1qix s SER 32 N -3.31 5.00 -0.28 4.36 0.15 -0.66 -2.74 113.70 116.23 1qix s SER 32 Ca 0.28 -0.15 -0.10 0.00 0.70 0.00 0.00 55.95 56.68 1qix s SER 32 Cb -0.06 -1.86 -0.05 0.00 -1.71 0.00 0.00 66.02 62.35 1qix s SER 32 CO 0.15 0.08 0.17 -0.22 1.20 0.00 0.00 173.24 174.61 1qix s LEU 33 N 0.91 3.92 0.13 3.45 2.96 -0.07 -1.12 118.68 128.85 1qix s LEU 33 Ca 0.02 -0.05 0.08 0.00 -0.22 0.00 0.00 54.13 53.96 1qix s LEU 33 Cb -0.14 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1qix s LEU 33 CO 0.02 -0.05 -0.20 -1.10 -1.32 0.00 0.00 176.35 173.70 1qix s GLN 34 N 1.73 1.20 0.15 1.98 -0.21 -0.53 -0.69 119.66 123.29 1qix s GLN 34 Ca 0.07 -1.28 0.08 0.00 0.02 0.00 0.00 55.36 54.25 1qix s GLN 34 Cb -0.16 -1.37 -0.04 0.00 1.00 0.00 0.00 33.01 32.44 1qix s GLN 34 CO 0.10 0.30 -0.18 1.52 -2.12 0.00 0.00 175.29 174.90 1qix s TYR 35 N -1.58 1.75 0.04 0.91 1.13 -0.40 -0.92 117.35 118.29 1qix s TYR 35 Ca 0.11 -0.47 -0.30 0.00 -1.41 0.00 0.00 57.07 55.00 1qix s TYR 35 Cb -0.08 -0.89 -0.04 0.00 -1.10 0.00 0.00 41.96 39.84 1qix s TYR 35 CO 0.05 0.28 1.05 0.50 -2.51 0.00 0.00 175.55 174.92 1qix s ARG 36 N -2.62 4.54 -0.34 -3.49 3.52 -0.79 -0.82 118.95 118.94 1qix s ARG 36 Ca 0.13 1.54 0.00 0.00 -0.13 0.00 0.00 55.73 57.27 1qix s ARG 36 Cb -0.06 -3.41 0.11 0.00 -1.56 0.00 0.00 34.95 30.03 1qix s ARG 36 CO 0.06 -0.07 0.13 0.45 -0.81 0.00 0.00 175.30 175.06 1qix s SER 36 N 0.83 3.93 1.74 -2.12 0.15 0.19 -4.78 113.70 113.64 1qix s SER 36 Ca 0.53 -1.91 0.00 0.00 0.70 0.00 0.00 55.95 55.28 1qix s SER 36 Cb -0.24 -0.91 0.00 0.00 -1.71 0.00 0.00 66.02 63.16 1qix s SER 36 CO 0.29 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1qix n GLY 36 N 4.50 3.36 1.09 9.45 0.00 -1.26 -1.00 105.19 121.32 1qix n GLY 36 Ca 0.01 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1qix n GLY 36 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qix n SER 36 N 9.50 3.41 -3.73 1.61 7.64 -1.26 -4.98 113.62 125.82 1qix n SER 36 Ca 0.00 -1.96 -0.24 0.00 1.01 0.00 0.00 58.87 57.68 1qix n SER 36 Cb 0.00 -0.28 -0.07 0.00 -1.01 0.00 0.00 64.21 62.85 1qix n SER 36 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1qix n SER 37 N 1.36 1.13 -4.33 6.43 3.41 -0.17 -5.15 113.62 116.28 1qix n SER 37 Ca 0.19 -3.07 -0.31 0.00 -0.26 0.00 0.00 58.87 55.41 1qix n SER 37 Cb 0.57 1.01 -0.16 0.00 -0.26 0.00 0.00 64.21 65.37 1qix n SER 37 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1qix s TRP 38 N -3.02 2.42 -0.02 7.33 0.52 -1.26 0.57 118.94 125.47 1qix s TRP 38 Ca 0.21 -0.44 0.08 0.00 0.02 0.00 0.00 56.10 55.96 1qix s TRP 38 Cb 0.01 -1.54 -0.02 0.00 -1.15 0.00 0.00 33.47 30.77 1qix s TRP 38 CO 0.15 -0.03 -0.25 0.00 0.02 0.00 0.00 176.95 176.83 1qix s ALA 39 N -0.54 2.08 0.23 0.98 0.00 -0.00 -4.90 121.76 119.59 1qix s ALA 39 Ca 0.08 -1.07 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 1qix s ALA 39 Cb -0.11 -0.53 -0.09 0.00 0.00 0.00 0.00 23.12 22.39 1qix s ALA 39 CO 0.00 0.50 1.26 -1.58 0.00 0.00 0.00 175.76 175.95 1qix s HIS 40 N -0.57 3.29 0.00 0.00 2.46 -1.26 -1.27 115.29 117.94 1qix s HIS 40 Ca 0.09 1.34 0.00 0.00 0.47 0.00 0.00 55.06 56.96 1qix s HIS 40 Cb -0.10 -3.55 0.00 0.00 -0.13 0.00 0.00 32.58 28.80 1qix s HIS 40 CO -0.01 -1.60 0.00 -2.37 -2.47 0.00 0.00 174.74 168.29 1qix n THR 41 N 2.15 0.00 -3.92 0.89 5.66 0.13 -4.90 114.28 114.28 1qix n THR 41 Ca 0.04 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.96 1qix n THR 41 Cb 0.43 -0.76 -0.03 0.00 -1.55 0.00 0.00 70.33 68.42 1qix n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qix n GLY 43 N -0.43 1.93 3.72 0.00 0.00 0.72 -0.89 105.19 110.23 1qix n GLY 43 Ca -0.03 -2.18 -0.00 0.00 0.00 0.00 0.00 46.02 43.81 1qix n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qix s GLY 44 N -3.32 -0.28 -0.08 -0.02 0.00 -1.11 -3.60 107.32 98.92 1qix s GLY 44 Ca 0.30 0.36 0.03 0.00 0.00 0.00 0.00 44.72 45.41 1qix s GLY 44 CO 0.19 0.81 -0.19 -1.59 0.00 0.00 0.00 173.10 172.32 1qix s THR 45 N -2.62 1.66 -0.23 0.90 2.01 -0.01 -1.34 115.64 116.02 1qix s THR 45 Ca 0.16 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 61.07 1qix s THR 45 Cb 0.02 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 71.06 1qix s THR 45 CO -0.01 0.47 1.30 -0.22 -0.69 0.00 0.00 174.62 175.48 1qix s LEU 46 N 0.44 4.03 -0.01 4.42 2.96 0.21 -0.45 118.68 130.27 1qix s LEU 46 Ca -0.16 1.47 0.09 0.00 -0.22 0.00 0.00 54.13 55.31 1qix s LEU 46 Cb -0.17 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 42.87 1qix s LEU 46 CO 0.06 -0.93 0.28 2.30 -1.32 0.00 0.00 176.35 176.74 1qix n ILE 47 N 5.81 0.00 -4.13 6.68 -5.35 -0.16 -1.12 119.36 121.09 1qix n ILE 47 Ca 0.15 -0.25 -0.11 0.00 -0.27 0.00 0.00 62.75 62.27 1qix n ILE 47 Cb 0.46 0.64 -0.08 0.00 -1.74 0.00 0.00 39.64 38.91 1qix n ILE 47 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1qix s ARG 48 N -2.23 1.34 0.48 6.28 1.81 -0.93 -4.75 118.95 120.95 1qix s ARG 48 Ca -0.00 -1.49 0.33 0.00 -1.72 0.00 0.00 55.73 52.84 1qix s ARG 48 Cb 0.06 0.35 1.59 0.00 -0.45 0.00 0.00 34.95 36.50 1qix s ARG 48 CO 0.36 -0.49 1.99 1.96 -0.68 0.00 0.00 175.30 178.44 1qix h GLN 49 N 2.48 0.00 0.00 3.54 4.20 -1.95 -2.94 115.11 120.43 1qix h GLN 49 Ca -0.32 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.33 1qix h GLN 49 Cb 1.25 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.91 1qix h GLN 49 CO 0.46 0.00 -0.61 0.27 -0.67 0.00 0.00 178.83 178.28 1qix n ASN 50 N -2.75 1.42 -3.78 1.46 6.94 -1.26 -1.39 115.26 115.90 1qix n ASN 50 Ca -0.01 -3.03 -0.13 0.00 -0.02 0.00 0.00 54.58 51.39 1qix n ASN 50 Cb 0.16 -0.42 -0.13 0.00 -2.36 0.00 0.00 39.78 37.04 1qix n ASN 50 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 1qix s TRP 51 N -1.88 -0.22 0.03 -2.53 0.52 -1.11 -1.01 118.94 112.74 1qix s TRP 51 Ca 0.33 0.55 0.08 0.00 0.02 0.00 0.00 56.10 57.08 1qix s TRP 51 Cb 0.33 0.03 -0.02 0.00 -1.15 0.00 0.00 33.47 32.65 1qix s TRP 51 CO -0.08 -0.14 -0.24 0.08 0.02 0.00 0.00 176.95 176.59 1qix s VAL 52 N 0.61 1.90 -0.16 4.03 1.01 -0.25 -0.99 120.40 126.56 1qix s VAL 52 Ca -0.04 -1.23 -0.05 0.00 0.00 0.00 0.00 61.98 60.66 1qix s VAL 52 Cb -0.06 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1qix s VAL 52 CO -0.03 0.35 0.01 -0.32 0.00 0.00 0.00 175.10 175.11 1qix s MET 53 N -1.05 3.73 0.09 2.72 1.75 0.40 -0.73 119.30 126.22 1qix s MET 53 Ca 0.10 -0.43 -0.00 0.00 -1.25 0.00 0.00 55.69 54.11 1qix s MET 53 Cb -0.09 -3.03 0.00 0.00 2.84 0.00 0.00 34.83 34.54 1qix s MET 53 CO 0.01 0.31 0.12 -2.37 -0.65 0.00 0.00 175.02 172.44 1qix n THR 54 N 3.36 0.00 -3.17 10.11 5.66 -0.05 -0.83 114.28 129.36 1qix n THR 54 Ca -0.17 -0.49 -0.36 0.00 -3.05 0.00 0.00 64.05 59.97 1qix n THR 54 Cb 0.52 0.29 -0.06 0.00 -1.55 0.00 0.00 70.33 69.54 1qix n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qix s ALA 55 N -1.96 3.47 0.36 1.79 0.00 -1.26 -0.61 121.76 123.56 1qix s ALA 55 Ca 0.08 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.17 1qix s ALA 55 Cb -0.00 -2.74 0.69 0.00 0.00 0.00 0.00 23.12 21.07 1qix s ALA 55 CO 0.06 0.36 1.96 0.00 0.00 0.00 0.00 175.76 178.14 1qix h ALA 56 N 3.58 1.51 0.00 0.00 0.00 -1.69 -2.31 119.26 120.36 1qix h ALA 56 Ca -0.48 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1qix h ALA 56 Cb 1.20 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1qix h ALA 56 CO 0.65 0.38 0.00 1.12 0.00 0.00 0.00 179.25 181.40 1qix h HIS 57 N 0.61 0.00 0.00 0.00 2.07 -1.92 -1.21 115.15 114.70 1qix h HIS 57 Ca 0.15 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.65 1qix h HIS 57 Cb 0.11 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.09 1qix h HIS 57 CO 0.01 0.00 -0.10 0.00 -3.07 0.00 0.00 177.93 174.76 1qix n VAL 59 N -3.18 1.69 -0.20 0.00 0.24 -0.47 -4.65 118.33 111.77 1qix n VAL 59 Ca 0.02 -1.52 -0.06 0.00 -2.04 0.00 0.00 64.34 60.74 1qix n VAL 59 Cb 0.44 0.08 0.10 0.00 -1.47 0.00 0.00 33.84 32.99 1qix n VAL 59 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1qix h ASP 60 N 1.66 0.95 -4.22 -1.34 3.32 -1.62 -3.45 116.42 111.73 1qix h ASP 60 Ca 0.00 -0.20 -0.51 0.00 0.02 0.00 0.00 57.03 56.34 1qix h ASP 60 Cb 1.09 -0.25 0.10 0.00 0.22 0.00 0.00 39.33 40.49 1qix h ASP 60 CO 0.11 0.93 0.37 -0.13 -1.72 0.00 0.00 179.24 178.80 1qix s ARG 61 N -5.22 2.85 -1.32 3.56 0.52 -1.26 -4.94 118.95 113.14 1qix s ARG 61 Ca -0.11 1.32 -0.10 0.00 -0.52 0.00 0.00 55.73 56.32 1qix s ARG 61 Cb 0.15 -1.96 0.14 0.00 0.52 0.00 0.00 34.95 33.80 1qix s ARG 61 CO 0.83 -1.20 1.96 0.39 0.02 0.00 0.00 175.30 177.30 1qix n GLU 62 N -2.48 3.46 -4.43 3.54 -0.58 -1.26 -4.94 120.64 113.96 1qix n GLU 62 Ca 0.10 -3.33 -0.26 0.00 -0.42 0.00 0.00 57.16 53.25 1qix n GLU 62 Cb 0.52 -3.00 -0.09 0.00 -0.57 0.00 0.00 31.44 28.30 1qix n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1qix s LEU 63 N 0.33 2.93 -0.18 -4.62 1.43 -1.26 -5.11 118.68 112.20 1qix s LEU 63 Ca 0.41 -1.18 -0.16 0.00 -1.03 0.00 0.00 54.13 52.18 1qix s LEU 63 Cb 0.11 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 1qix s LEU 63 CO -0.02 -0.37 0.38 -0.89 0.23 0.00 0.00 176.35 175.69 1qix s THR 64 N -2.62 5.22 0.17 5.49 2.01 -1.26 -5.02 115.64 119.64 1qix s THR 64 Ca 0.36 0.70 0.07 0.00 0.31 0.00 0.00 61.69 63.13 1qix s THR 64 Cb 0.05 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1qix s THR 64 CO 0.19 0.29 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.04 1qix s PHE 65 N 1.05 2.82 0.07 4.92 0.08 -1.26 -1.89 117.98 123.77 1qix s PHE 65 Ca 0.19 -0.15 0.00 0.00 0.12 0.00 0.00 56.93 57.10 1qix s PHE 65 Cb -0.14 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.90 1qix s PHE 65 CO 0.07 0.52 -0.04 -0.98 -0.10 0.00 0.00 175.22 174.69 1qix s ARG 65 N -2.93 0.71 -0.06 0.44 1.70 -0.10 -3.38 118.95 115.34 1qix s ARG 65 Ca 0.27 -1.27 0.04 0.00 -0.47 0.00 0.00 55.73 54.30 1qix s ARG 65 Cb -0.09 0.05 -0.02 0.00 -0.57 0.00 0.00 34.95 34.32 1qix s ARG 65 CO 0.18 -0.08 -0.18 0.08 -1.08 0.00 0.00 175.30 174.22 1qix s VAL 66 N -3.81 2.72 -0.18 4.99 1.01 0.49 -1.45 120.40 124.18 1qix s VAL 66 Ca 0.09 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 1qix s VAL 66 Cb 0.07 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.41 1qix s VAL 66 CO -0.08 0.58 -0.14 -0.69 0.00 0.00 0.00 175.10 174.77 1qix s VAL 67 N -0.49 2.61 0.18 2.92 1.01 -0.28 -1.26 120.40 125.10 1qix s VAL 67 Ca 0.06 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.36 1qix s VAL 67 Cb -0.12 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1qix s VAL 67 CO 0.01 0.50 -0.07 0.68 0.00 0.00 0.00 175.10 176.23 1qix s VAL 68 N 1.12 3.35 -0.49 2.92 -7.23 -0.66 -1.66 120.40 117.76 1qix s VAL 68 Ca 0.01 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 1qix s VAL 68 Cb -0.14 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.13 1qix s VAL 68 CO -0.05 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 1qix n GLY 69 N -0.03 0.70 3.87 2.32 0.00 -1.25 -1.56 105.19 109.24 1qix n GLY 69 Ca -0.10 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 1qix n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qix s GLU 70 N -2.50 3.82 0.14 1.61 2.56 -1.26 -3.48 118.70 119.58 1qix s GLU 70 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 54.97 55.30 1qix s GLU 70 Cb 0.00 -2.59 0.00 0.00 2.00 0.00 0.00 34.13 33.54 1qix s GLU 70 CO 0.00 0.25 0.00 1.58 -0.56 0.00 0.00 175.26 176.53 1qix n HIS 71 N -0.36 -1.17 -3.88 5.30 -0.00 -1.26 -4.94 115.22 108.91 1qix n HIS 71 Ca 0.01 0.21 -0.35 0.00 -0.00 0.00 0.00 57.72 57.58 1qix n HIS 71 Cb 0.53 0.49 -0.14 0.00 -0.00 0.00 0.00 29.99 30.87 1qix n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1qix s ASN 72 N -5.05 4.46 0.54 0.26 3.84 -1.26 -1.57 114.94 116.15 1qix s ASN 72 Ca 0.00 -0.42 0.29 0.00 0.21 0.00 0.00 52.86 52.94 1qix s ASN 72 Cb 0.00 -1.77 1.52 0.00 -0.55 0.00 0.00 41.25 40.45 1qix s ASN 72 CO 0.00 -0.04 2.09 -0.07 -2.79 0.00 0.00 177.10 176.29 1qix h LEU 73 N 8.13 0.00 -2.13 3.21 3.38 -1.10 -3.18 115.31 123.63 1qix h LEU 73 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1qix h LEU 73 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1qix h LEU 73 CO 0.60 0.10 0.00 0.59 0.09 0.00 0.00 178.44 179.82 1qix n ASN 74 N -3.54 2.87 -4.05 -0.43 3.02 -1.26 -4.98 115.26 106.88 1qix n ASN 74 Ca -0.02 -1.84 -0.10 0.00 -0.03 0.00 0.00 54.58 52.60 1qix n ASN 74 Cb 0.23 -0.14 -0.11 0.00 -0.61 0.00 0.00 39.78 39.15 1qix n ASN 74 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1qix s GLN 75 N -1.29 0.49 -0.17 3.52 -0.21 -1.20 -5.11 119.66 115.69 1qix s GLN 75 Ca 0.27 -0.87 -0.29 0.00 0.02 0.00 0.00 55.36 54.49 1qix s GLN 75 Cb 0.16 0.00 -0.02 0.00 1.00 0.00 0.00 33.01 34.16 1qix s GLN 75 CO 0.23 -0.04 1.39 1.21 -2.12 0.00 0.00 175.29 175.97 1qix s ASN 76 N -2.01 6.77 0.13 5.90 2.47 -1.26 -4.64 114.94 122.30 1qix s ASN 76 Ca -0.06 1.71 0.19 0.00 0.42 0.00 0.00 52.86 55.12 1qix s ASN 76 Cb -0.04 -2.54 -0.07 0.00 -1.45 0.00 0.00 41.25 37.15 1qix s ASN 76 CO -0.03 -0.91 0.94 0.78 -3.72 0.00 0.00 177.10 174.16 1qix h ASN 77 N 8.97 0.00 0.00 -4.21 4.21 -1.94 -3.48 115.58 119.14 1qix h ASN 77 Ca -0.30 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.21 1qix h ASN 77 Cb 1.12 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.32 1qix h ASN 77 CO 0.98 0.31 0.00 0.61 -1.29 0.00 0.00 177.43 178.04 1qix n GLY 78 N 1.29 0.68 0.00 2.83 0.00 -1.26 -4.86 105.19 103.88 1qix n GLY 78 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1qix n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qix n THR 79 N -2.59 0.00 -2.33 2.61 -2.24 -1.26 -5.09 114.28 103.38 1qix n THR 79 Ca 0.00 -0.21 -0.34 0.00 -2.27 0.00 0.00 64.05 61.23 1qix n THR 79 Cb 0.00 1.53 -0.01 0.00 -2.10 0.00 0.00 70.33 69.75 1qix n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1qix s GLU 80 N -0.03 3.54 -0.04 -0.78 8.01 -1.23 -4.49 118.70 123.68 1qix s GLU 80 Ca 0.00 1.37 0.02 0.00 0.01 0.00 0.00 54.97 56.38 1qix s GLU 80 Cb 0.00 -2.05 0.01 0.00 -4.31 0.00 0.00 34.13 27.78 1qix s GLU 80 CO 0.00 -0.65 -0.10 -0.65 0.01 0.00 0.00 175.26 173.87 1qix s GLN 81 N -3.49 1.26 -0.16 1.61 -0.21 -0.60 -4.99 119.66 113.08 1qix s GLN 81 Ca 0.67 -0.33 -0.03 0.00 0.02 0.00 0.00 55.36 55.70 1qix s GLN 81 Cb -0.18 -1.11 -0.02 0.00 1.00 0.00 0.00 33.01 32.70 1qix s GLN 81 CO 0.27 0.06 -0.07 0.71 -2.12 0.00 0.00 175.29 174.14 1qix s TYR 82 N 0.47 2.94 -0.01 0.91 1.51 -1.26 -1.65 117.35 120.26 1qix s TYR 82 Ca -0.09 -0.52 -0.01 0.00 -1.01 0.00 0.00 57.07 55.45 1qix s TYR 82 Cb -0.12 -1.95 0.00 0.00 -0.11 0.00 0.00 41.96 39.78 1qix s TYR 82 CO 0.02 -0.18 0.03 0.08 -1.11 0.00 0.00 175.55 174.38 1qix s VAL 83 N 0.56 -0.00 0.66 0.71 1.01 -0.39 -5.00 120.40 117.95 1qix s VAL 83 Ca -0.05 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 1qix s VAL 83 Cb -0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 1qix s VAL 83 CO 0.03 0.00 1.06 -0.83 0.00 0.00 0.00 175.10 175.36 1qix s GLY 84 N 0.05 1.65 -0.24 4.51 0.00 -1.26 -0.38 107.32 111.65 1qix s GLY 84 Ca -0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 44.72 44.46 1qix s GLY 84 CO -0.00 0.16 0.16 0.14 0.00 0.00 0.00 173.10 173.55 1qix s VAL 85 N -3.22 5.30 -0.10 1.40 1.01 -1.22 -0.67 120.40 122.89 1qix s VAL 85 Ca 0.57 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.75 1qix s VAL 85 Cb -0.11 -3.47 -0.24 0.00 0.00 0.00 0.00 36.38 32.55 1qix s VAL 85 CO 0.53 0.34 0.42 1.67 0.00 0.00 0.00 175.10 178.06 1qix n GLN 86 N 4.37 0.69 -3.75 2.72 7.27 0.56 -4.85 117.38 124.39 1qix n GLN 86 Ca -0.15 0.24 -0.13 0.00 0.07 0.00 0.00 57.00 57.04 1qix n GLN 86 Cb 0.52 -1.71 -0.11 0.00 2.41 0.00 0.00 30.24 31.35 1qix n GLN 86 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1qix s LYS 87 N -2.57 0.36 -0.17 3.69 2.20 -1.04 -4.98 119.74 117.23 1qix s LYS 87 Ca -0.14 0.50 -0.02 0.00 -0.36 0.00 0.00 55.97 55.95 1qix s LYS 87 Cb 0.07 0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.51 1qix s LYS 87 CO 0.79 -0.07 -0.10 0.42 -0.36 0.00 0.00 175.35 176.02 1qix s ILE 88 N 0.44 3.11 -0.27 5.43 1.01 -1.26 -0.91 121.20 128.75 1qix s ILE 88 Ca -0.02 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.04 1qix s ILE 88 Cb -0.04 -2.35 0.06 0.00 0.01 0.00 0.00 42.46 40.14 1qix s ILE 88 CO -0.02 0.49 -0.08 -0.69 0.00 0.00 0.00 174.94 174.64 1qix s VAL 89 N 0.88 2.33 0.10 2.92 1.01 0.62 -4.99 120.40 123.27 1qix s VAL 89 Ca -0.03 -1.64 -0.07 0.00 0.00 0.00 0.00 61.98 60.25 1qix s VAL 89 Cb -0.15 -2.39 -0.06 0.00 0.00 0.00 0.00 36.38 33.78 1qix s VAL 89 CO 0.00 -0.08 0.38 -0.69 0.00 0.00 0.00 175.10 174.71 1qix s VAL 90 N 1.12 5.15 0.22 2.92 1.01 -1.26 -0.13 120.40 129.42 1qix s VAL 90 Ca -0.07 0.23 -0.32 0.00 0.00 0.00 0.00 61.98 61.82 1qix s VAL 90 Cb -0.20 -3.62 -0.13 0.00 0.00 0.00 0.00 36.38 32.43 1qix s VAL 90 CO -0.04 0.17 1.54 1.57 0.00 0.00 0.00 175.10 178.33 1qix n HIS 91 N 0.53 2.39 0.24 5.22 -0.00 -1.00 -4.86 115.22 117.74 1qix n HIS 91 Ca -0.06 0.30 0.18 0.00 0.46 0.00 0.00 57.72 58.60 1qix n HIS 91 Cb 0.52 -2.54 0.89 0.00 -0.12 0.00 0.00 29.99 28.74 1qix n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1qix h PRO 92 N 5.21 0.00 -0.01 1.57 0.13 -1.94 -2.02 132.00 134.94 1qix h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1qix h PRO 92 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1qix h PRO 92 CO 0.83 0.00 -0.26 0.66 -0.23 0.00 0.00 178.00 179.00 1qix n TYR 93 N -3.60 0.00 -1.72 1.56 4.01 -1.26 -4.95 117.16 111.20 1qix n TYR 93 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.32 1qix n TYR 93 Cb 0.29 -0.06 -0.02 0.00 -0.31 0.00 0.00 39.34 39.25 1qix n TYR 93 CO 0.00 0.00 0.00 1.87 -0.46 0.00 0.00 176.86 178.27 1qix n TRP 94 N -0.16 2.59 -3.77 -0.72 -0.00 -0.76 -4.92 117.44 109.70 1qix n TRP 94 Ca 0.12 0.38 -0.26 0.00 -0.00 0.00 0.00 57.50 57.74 1qix n TRP 94 Cb 0.41 -2.52 -0.17 0.00 -0.00 0.00 0.00 31.31 29.03 1qix n TRP 94 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1qix s ASN 95 N 0.23 2.52 0.53 5.87 2.47 -1.26 -5.02 114.94 120.28 1qix s ASN 95 Ca 0.62 -0.59 0.25 0.00 0.42 0.00 0.00 52.86 53.56 1qix s ASN 95 Cb -0.55 -0.60 1.38 0.00 -1.45 0.00 0.00 41.25 40.04 1qix s ASN 95 CO 0.53 -0.26 1.99 0.74 -3.72 0.00 0.00 177.10 176.38 1qix h THR 96 N 6.44 0.73 -0.01 -5.21 2.02 -1.98 -0.75 112.91 114.16 1qix h THR 96 Ca -0.18 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1qix h THR 96 Cb 1.12 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1qix h THR 96 CO 0.32 0.00 -0.00 0.47 0.37 0.00 0.00 175.52 176.69 1qix n ASP 97 N -4.38 0.65 -3.21 4.18 8.00 -1.26 -4.36 116.55 116.18 1qix n ASP 97 Ca 0.10 -1.20 -0.24 0.00 0.71 0.00 0.00 54.79 54.16 1qix n ASP 97 Cb 0.62 -0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.64 1qix n ASP 97 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1qix n ASP 98 N -0.49 0.47 -1.93 -2.24 -0.08 -0.29 -5.07 116.55 106.92 1qix n ASP 98 Ca 0.22 -2.76 0.00 0.00 -1.51 0.00 0.00 54.79 50.74 1qix n ASP 98 Cb 0.22 -0.64 0.00 0.00 2.34 0.00 0.00 41.12 43.04 1qix n ASP 98 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1qix n VAL 99 N 1.32 0.00 0.00 5.18 0.31 -1.26 -4.11 118.33 119.77 1qix n VAL 99 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1qix n VAL 99 Cb 0.53 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.55 1qix n VAL 99 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qix n ALA 99 N 1.85 0.00 0.00 3.52 0.00 -1.26 -4.81 120.51 119.81 1qix n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qix n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1qix n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qix n GLY 100 N -0.09 -1.22 2.45 0.00 0.00 -1.26 -4.99 105.19 100.09 1qix n GLY 100 Ca 0.00 -1.81 -0.19 0.00 0.00 0.00 0.00 46.02 44.02 1qix n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qix n TYR 101 N 0.00 -0.50 -2.75 1.61 4.01 -1.26 -4.67 117.16 113.59 1qix n TYR 101 Ca 0.00 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.30 1qix n TYR 101 Cb 0.00 -3.50 0.00 0.00 -0.31 0.00 0.00 39.34 35.53 1qix n TYR 101 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1qix n ASP 102 N -1.39 5.09 -3.68 7.72 2.03 -1.26 -4.44 116.55 120.62 1qix n ASP 102 Ca -0.21 -2.97 -0.14 0.00 0.52 0.00 0.00 54.79 51.98 1qix n ASP 102 Cb 0.65 -1.61 -0.08 0.00 -0.72 0.00 0.00 41.12 39.36 1qix n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1qix s ILE 103 N 2.13 0.03 0.02 5.18 2.07 -1.26 -3.96 121.20 125.40 1qix s ILE 103 Ca 0.45 -0.22 -0.20 0.00 -1.41 0.00 0.00 60.65 59.28 1qix s ILE 103 Cb 0.01 -0.73 0.04 0.00 0.13 0.00 0.00 42.46 41.91 1qix s ILE 103 CO 0.02 -0.12 0.45 0.00 -1.91 0.00 0.00 174.94 173.38 1qix s ALA 104 N -0.83 -1.14 -0.07 1.50 0.00 0.23 -2.37 121.76 119.08 1qix s ALA 104 Ca -0.09 0.52 0.05 0.00 0.00 0.00 0.00 51.96 52.44 1qix s ALA 104 Cb -0.03 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 1qix s ALA 104 CO 0.05 -0.41 -0.23 -0.51 0.00 0.00 0.00 175.76 174.66 1qix s LEU 105 N -1.73 2.18 -0.16 0.00 1.43 0.82 -0.87 118.68 120.35 1qix s LEU 105 Ca -0.08 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1qix s LEU 105 Cb -0.02 -1.42 -0.01 0.00 0.03 0.00 0.00 46.19 44.78 1qix s LEU 105 CO 0.01 0.23 -0.13 -0.76 0.23 0.00 0.00 176.35 175.93 1qix s LEU 106 N -0.05 2.63 -0.24 1.79 1.43 0.09 -0.28 118.68 124.05 1qix s LEU 106 Ca -0.06 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 52.46 1qix s LEU 106 Cb -0.15 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 1qix s LEU 106 CO 0.05 0.09 0.46 -0.60 0.23 0.00 0.00 176.35 176.58 1qix s ARG 107 N 0.77 4.09 0.51 1.70 3.52 -0.09 -1.09 118.95 128.37 1qix s ARG 107 Ca -0.05 0.24 -0.17 0.00 -0.13 0.00 0.00 55.73 55.62 1qix s ARG 107 Cb -0.15 -3.62 -0.08 0.00 -1.56 0.00 0.00 34.95 29.54 1qix s ARG 107 CO 0.01 -0.25 0.98 -0.51 -0.81 0.00 0.00 175.30 174.72 1qix s LEU 108 N 1.98 3.66 0.31 -0.88 1.43 -0.18 -0.32 118.68 124.68 1qix s LEU 108 Ca 0.20 1.60 0.09 0.00 -1.03 0.00 0.00 54.13 54.98 1qix s LEU 108 Cb -0.15 -4.51 0.49 0.00 0.03 0.00 0.00 46.19 42.05 1qix s LEU 108 CO 0.09 -0.58 1.71 0.00 0.23 0.00 0.00 176.35 177.79 1qix h ALA 109 N 1.02 1.14 -2.35 4.21 0.00 -1.23 -3.43 119.26 118.63 1qix h ALA 109 Ca -0.47 -0.44 -0.28 0.00 0.00 0.00 0.00 54.91 53.72 1qix h ALA 109 Cb 1.19 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.74 1qix h ALA 109 CO 0.61 0.61 -0.71 1.14 0.00 0.00 0.00 179.25 180.90 1qix s GLN 110 N -4.00 0.91 0.21 0.00 -2.07 -1.26 -5.02 119.66 108.42 1qix s GLN 110 Ca -0.03 -1.33 -0.30 0.00 -1.82 0.00 0.00 55.36 51.88 1qix s GLN 110 Cb 0.13 -0.42 -0.08 0.00 -1.09 0.00 0.00 33.01 31.55 1qix s GLN 110 CO 0.76 0.04 0.94 -1.12 -1.32 0.00 0.00 175.29 174.58 1qix s SER 111 N -2.94 7.61 0.62 12.60 0.01 -1.26 -4.74 113.70 125.60 1qix s SER 111 Ca 0.12 1.91 -0.07 0.00 1.31 0.00 0.00 55.95 59.21 1qix s SER 111 Cb 0.02 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.66 1qix s SER 111 CO -0.02 0.12 0.95 0.68 0.41 0.00 0.00 173.24 175.37 1qix s VAL 112 N -0.94 3.63 -0.13 3.43 -7.23 -0.49 -4.99 120.40 113.68 1qix s VAL 112 Ca 0.42 0.12 -0.16 0.00 -1.81 0.00 0.00 61.98 60.55 1qix s VAL 112 Cb -0.25 -3.46 -0.04 0.00 0.56 0.00 0.00 36.38 33.18 1qix s VAL 112 CO 0.31 -0.51 0.39 -0.89 -0.31 0.00 0.00 175.10 174.09 1qix s THR 113 N -3.08 5.24 0.20 5.32 2.01 -1.26 -4.90 115.64 119.18 1qix s THR 113 Ca 0.55 0.76 -0.22 0.00 0.31 0.00 0.00 61.69 63.09 1qix s THR 113 Cb -0.11 -3.73 -0.08 0.00 0.01 0.00 0.00 72.50 68.60 1qix s THR 113 CO 0.47 0.36 0.75 -0.76 -0.69 0.00 0.00 174.62 174.75 1qix s LEU 114 N 0.50 4.43 0.00 4.42 1.02 -1.26 -4.80 118.68 122.99 1qix s LEU 114 Ca 0.21 1.51 0.00 0.00 0.02 0.00 0.00 54.13 55.88 1qix s LEU 114 Cb -0.14 -3.49 0.00 0.00 0.02 0.00 0.00 46.19 42.58 1qix s LEU 114 CO 0.07 0.10 0.00 -0.46 0.02 0.00 0.00 176.35 176.08 1qix n ASN 115 N 1.04 0.00 0.25 2.29 0.23 -0.50 -4.96 115.26 113.60 1qix n ASN 115 Ca -0.04 -0.01 0.09 0.00 -0.53 0.00 0.00 54.58 54.10 1qix n ASN 115 Cb 0.50 0.00 0.64 0.00 -2.08 0.00 0.00 39.78 38.84 1qix n ASN 115 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1qix h SER 116 N 0.00 0.00 0.07 0.53 0.02 -2.00 -2.83 113.55 109.34 1qix h SER 116 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1qix h SER 116 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1qix h SER 116 CO 0.00 0.14 -1.04 -1.22 -1.14 0.00 0.00 176.83 173.57 1qix n TYR 117 N -3.97 0.01 -3.76 3.45 4.01 -1.26 -4.79 117.16 110.85 1qix n TYR 117 Ca -0.02 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.43 1qix n TYR 117 Cb 0.23 -0.09 -0.16 0.00 -0.31 0.00 0.00 39.34 39.01 1qix n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1qix s VAL 118 N -3.05 0.82 0.10 -0.72 1.01 -1.07 -3.95 120.40 113.54 1qix s VAL 118 Ca 0.07 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.00 1qix s VAL 118 Cb 0.16 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1qix s VAL 118 CO 0.85 -0.42 0.00 -1.10 0.00 0.00 0.00 175.10 174.44 1qix s GLN 119 N 1.68 0.82 0.34 2.72 -1.52 -1.03 -1.41 119.66 121.26 1qix s GLN 119 Ca 0.03 -1.36 -0.25 0.00 -1.95 0.00 0.00 55.36 51.83 1qix s GLN 119 Cb -0.17 0.11 -0.10 0.00 -0.22 0.00 0.00 33.01 32.63 1qix s GLN 119 CO -0.16 -0.16 0.95 -0.51 -0.25 0.00 0.00 175.29 175.16 1qix s LEU 120 N -3.02 4.28 0.26 2.90 1.43 -1.26 -3.41 118.68 119.86 1qix s LEU 120 Ca 0.16 1.83 -0.29 0.00 -1.03 0.00 0.00 54.13 54.80 1qix s LEU 120 Cb 0.07 -4.09 -0.09 0.00 0.03 0.00 0.00 46.19 42.11 1qix s LEU 120 CO -0.03 -0.13 0.96 -0.83 0.23 0.00 0.00 176.35 176.55 1qix s GLY 121 N -1.68 3.08 -0.14 -3.19 0.00 -0.27 -4.83 107.32 100.28 1qix s GLY 121 Ca 0.52 0.65 -0.20 0.00 0.00 0.00 0.00 44.72 45.69 1qix s GLY 121 CO 0.23 1.21 0.58 0.14 0.00 0.00 0.00 173.10 175.26 1qix s VAL 122 N -1.23 5.09 -0.01 1.40 1.01 -1.26 -4.82 120.40 120.58 1qix s VAL 122 Ca 0.43 1.14 -0.07 0.00 0.00 0.00 0.00 61.98 63.47 1qix s VAL 122 Cb -0.26 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 1qix s VAL 122 CO 0.32 0.22 0.26 -0.76 0.00 0.00 0.00 175.10 175.14 1qix s LEU 123 N 1.21 4.38 0.93 3.92 1.02 -1.26 -0.48 118.68 128.40 1qix s LEU 123 Ca 0.29 0.57 -0.12 0.00 0.02 0.00 0.00 54.13 54.90 1qix s LEU 123 Cb -0.16 -2.57 0.15 0.00 0.02 0.00 0.00 46.19 43.63 1qix s LEU 123 CO 0.12 0.28 1.09 -2.16 0.02 0.00 0.00 176.35 175.70 1qix s PRO 124 N -1.60 0.98 0.46 1.29 0.04 -1.26 -4.92 135.00 129.99 1qix s PRO 124 Ca 0.25 0.75 -0.22 0.00 0.04 0.00 0.00 61.00 61.82 1qix s PRO 124 Cb -0.13 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.55 1qix s PRO 124 CO 0.14 -2.41 1.11 -0.98 0.04 0.00 0.00 177.00 174.90 1qix s ARG 125 N -4.93 3.83 0.21 4.56 3.03 -1.26 -4.83 118.95 119.55 1qix s ARG 125 Ca 0.64 1.64 -0.32 0.00 2.03 0.00 0.00 55.73 59.71 1qix s ARG 125 Cb -0.18 -2.36 -0.14 0.00 -1.03 0.00 0.00 34.95 31.24 1qix s ARG 125 CO 0.57 -0.46 1.41 0.00 -1.13 0.00 0.00 175.30 175.69 1qix n ALA 126 N -0.53 0.82 -0.09 7.88 0.00 -1.26 -2.51 120.51 124.83 1qix n ALA 126 Ca 0.07 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1qix n ALA 126 Cb 0.49 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1qix n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qix n GLY 127 N 2.39 1.77 3.71 0.00 0.00 -0.21 -5.01 105.19 107.84 1qix n GLY 127 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1qix n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qix s THR 128 N -2.73 2.69 -0.06 2.61 -4.23 -1.04 -5.01 115.64 107.87 1qix s THR 128 Ca 0.00 0.42 0.04 0.00 -1.18 0.00 0.00 61.69 60.98 1qix s THR 128 Cb 0.00 -3.27 -0.02 0.00 1.34 0.00 0.00 72.50 70.55 1qix s THR 128 CO 0.00 0.02 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.29 1qix s ILE 129 N 1.53 2.72 0.27 2.99 -1.09 -1.26 -4.79 121.20 121.57 1qix s ILE 129 Ca 0.71 -0.84 -0.08 0.00 -2.23 0.00 0.00 60.65 58.22 1qix s ILE 129 Cb -0.43 -2.05 -0.06 0.00 -1.58 0.00 0.00 42.46 38.34 1qix s ILE 129 CO 0.32 0.58 0.57 -0.76 -1.23 0.00 0.00 174.94 174.41 1qix s LEU 130 N -0.46 4.09 0.72 2.97 1.43 -1.26 -5.06 118.68 121.11 1qix s LEU 130 Ca 0.05 0.86 -0.13 0.00 -1.03 0.00 0.00 54.13 53.89 1qix s LEU 130 Cb -0.12 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.48 1qix s LEU 130 CO 0.01 -0.15 1.10 0.00 0.23 0.00 0.00 176.35 177.55 1qix s ALA 131 N -1.97 2.35 0.39 4.21 0.00 -1.26 -4.89 121.76 120.59 1qix s ALA 131 Ca 0.46 0.41 -0.26 0.00 0.00 0.00 0.00 51.96 52.57 1qix s ALA 131 Cb -0.11 -3.30 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 1qix s ALA 131 CO 0.26 -1.54 1.24 -1.71 0.00 0.00 0.00 175.76 174.01 1qix n ASN 132 N -2.98 2.45 -1.98 0.00 5.15 -1.26 -2.81 115.26 113.83 1qix n ASN 132 Ca 0.10 1.14 -0.16 0.00 -0.60 0.00 0.00 54.58 55.06 1qix n ASN 132 Cb 0.52 -1.47 0.01 0.00 -0.53 0.00 0.00 39.78 38.31 1qix n ASN 132 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1qix n ASN 133 N 0.46 -4.71 -4.77 1.20 5.15 0.02 -4.95 115.26 107.66 1qix n ASN 133 Ca 0.06 -0.11 -0.38 0.00 -0.60 0.00 0.00 54.58 53.55 1qix n ASN 133 Cb 0.38 -3.71 -0.05 0.00 -0.53 0.00 0.00 39.78 35.87 1qix n ASN 133 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1qix s SER 134 N -2.55 7.17 -0.18 1.20 0.01 -1.12 -4.61 113.70 113.61 1qix s SER 134 Ca 0.11 1.99 -0.29 0.00 1.31 0.00 0.00 55.95 59.07 1qix s SER 134 Cb -0.05 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 1qix s SER 134 CO 0.14 -0.19 1.35 -2.16 0.41 0.00 0.00 173.24 172.78 1qix s PRO 135 N -1.99 4.13 0.09 12.44 0.04 -1.26 -1.56 135.00 146.89 1qix s PRO 135 Ca 0.51 1.64 -0.05 0.00 0.04 0.00 0.00 61.00 63.14 1qix s PRO 135 Cb -0.23 -3.84 -0.02 0.00 0.04 0.00 0.00 34.50 30.45 1qix s PRO 135 CO 0.29 -0.85 0.11 0.00 0.04 0.00 0.00 177.00 176.59 1qix s TYR 137 N -3.92 1.48 -0.09 0.00 1.51 0.67 -0.13 117.35 116.86 1qix s TYR 137 Ca 0.10 -0.29 -0.05 0.00 -1.01 0.00 0.00 57.07 55.82 1qix s TYR 137 Cb 0.06 -0.94 -0.04 0.00 -0.11 0.00 0.00 41.96 40.93 1qix s TYR 137 CO -0.07 -0.01 0.14 -1.50 -1.11 0.00 0.00 175.55 172.99 1qix s ILE 138 N -0.44 5.37 0.08 2.71 2.07 -0.40 -0.62 121.20 129.98 1qix s ILE 138 Ca 0.06 0.06 0.06 0.00 -1.41 0.00 0.00 60.65 59.42 1qix s ILE 138 Cb -0.07 -3.38 -0.03 0.00 0.13 0.00 0.00 42.46 39.11 1qix s ILE 138 CO -0.00 0.54 -0.15 0.42 -1.91 0.00 0.00 174.94 173.83 1qix s THR 139 N -1.10 1.22 0.00 4.00 -4.23 -1.23 -1.67 115.64 112.64 1qix s THR 139 Ca 0.18 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 1qix s THR 139 Cb -0.12 -1.20 0.00 0.00 1.34 0.00 0.00 72.50 72.52 1qix s THR 139 CO 0.08 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 1qix n GLY 140 N 1.15 0.86 1.51 3.99 0.00 -0.87 -4.57 105.19 107.26 1qix n GLY 140 Ca -0.20 -1.01 0.08 0.00 0.00 0.00 0.00 46.02 44.89 1qix n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1qix n TRP 141 N -0.54 1.58 -0.99 1.61 8.01 -1.26 -1.98 117.44 123.87 1qix n TRP 141 Ca 0.00 -0.73 -0.29 0.00 -1.31 0.00 0.00 57.50 55.16 1qix n TRP 141 Cb 0.00 -0.38 0.23 0.00 -2.01 0.00 0.00 31.31 29.15 1qix n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1qix s GLY 142 N -1.13 1.55 0.30 6.99 0.00 -1.25 -1.70 107.32 112.08 1qix s GLY 142 Ca 0.49 -0.67 -0.28 0.00 0.00 0.00 0.00 44.72 44.27 1qix s GLY 142 CO 0.16 0.13 1.04 1.04 0.00 0.00 0.00 173.10 175.47 1qix n LEU 143 N -4.67 2.02 -0.32 0.66 4.77 -0.32 -2.33 117.00 116.82 1qix n LEU 143 Ca 0.09 1.18 0.12 0.00 -0.03 0.00 0.00 56.01 57.37 1qix n LEU 143 Cb 0.58 -1.31 0.25 0.00 -2.33 0.00 0.00 43.42 40.61 1qix n LEU 143 CO 0.50 -1.30 0.53 0.35 -1.33 0.00 0.00 177.39 176.15 1qix n THR 144 N 0.20 0.00 -3.76 -5.08 -2.24 -0.96 -0.93 114.28 101.51 1qix n THR 144 Ca 0.09 -0.17 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 1qix n THR 144 Cb 0.33 0.67 -0.08 0.00 -2.10 0.00 0.00 70.33 69.15 1qix n THR 144 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1qix s ARG 145 N -2.51 0.70 0.21 -0.78 3.52 -1.26 -4.20 118.95 114.63 1qix s ARG 145 Ca 0.22 -0.26 -0.32 0.00 -0.13 0.00 0.00 55.73 55.23 1qix s ARG 145 Cb 0.19 0.31 -0.14 0.00 -1.56 0.00 0.00 34.95 33.75 1qix s ARG 145 CO 0.54 -0.20 1.46 2.41 -0.81 0.00 0.00 175.30 178.70 1qix n THR 147 N 1.11 0.61 -2.38 4.11 -1.04 -1.26 -0.74 114.28 114.68 1qix n THR 147 Ca -0.21 -0.15 -0.17 0.00 -2.04 0.00 0.00 64.05 61.48 1qix n THR 147 Cb 0.57 -1.47 -0.01 0.00 -1.82 0.00 0.00 70.33 67.60 1qix n THR 147 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1qix n ASN 148 N 2.57 -4.99 -0.01 8.00 3.02 -1.26 -4.96 115.26 117.63 1qix n ASN 148 Ca 0.14 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1qix n ASN 148 Cb 0.30 -4.20 0.00 0.00 -0.61 0.00 0.00 39.78 35.27 1qix n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qix n GLY 149 N -0.90 1.90 3.41 7.41 0.00 0.08 -5.14 105.19 111.95 1qix n GLY 149 Ca -0.20 -1.80 -0.21 0.00 0.00 0.00 0.00 46.02 43.82 1qix n GLY 149 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qix s GLN 150 N 4.62 1.49 0.70 1.61 -2.07 -1.26 -4.92 119.66 119.83 1qix s GLN 150 Ca 0.00 -1.72 -0.15 0.00 -1.82 0.00 0.00 55.36 51.68 1qix s GLN 150 Cb 0.00 -1.23 0.02 0.00 -1.09 0.00 0.00 33.01 30.71 1qix s GLN 150 CO 0.00 0.13 1.16 -0.51 -1.32 0.00 0.00 175.29 174.75 1qix s LEU 151 N -3.41 3.34 0.42 2.60 1.43 -1.26 -2.27 118.68 119.53 1qix s LEU 151 Ca 0.27 2.18 -0.21 0.00 -1.03 0.00 0.00 54.13 55.34 1qix s LEU 151 Cb 0.01 -4.57 -0.11 0.00 0.03 0.00 0.00 46.19 41.55 1qix s LEU 151 CO 0.11 -1.98 0.96 0.00 0.23 0.00 0.00 176.35 175.66 1qix s ALA 152 N -2.17 3.04 0.03 4.21 0.00 -0.69 -4.85 121.76 121.33 1qix s ALA 152 Ca 0.71 0.43 -0.02 0.00 0.00 0.00 0.00 51.96 53.08 1qix s ALA 152 Cb -0.25 -3.16 -0.27 0.00 0.00 0.00 0.00 23.12 19.44 1qix s ALA 152 CO 0.44 0.10 0.96 1.96 0.00 0.00 0.00 175.76 179.21 1qix h GLN 153 N 2.02 0.23 -6.39 0.00 4.20 -1.94 -3.46 115.11 109.76 1qix h GLN 153 Ca -0.49 -0.39 -0.66 0.00 0.06 0.00 0.00 58.65 57.17 1qix h GLN 153 Cb 1.18 0.15 -0.14 0.00 0.30 0.00 0.00 27.48 28.97 1qix h GLN 153 CO 0.61 1.11 -0.69 0.95 -0.67 0.00 0.00 178.83 180.14 1qix s THR 154 N -2.63 3.73 0.23 -0.54 -4.23 -1.26 -0.47 115.64 110.48 1qix s THR 154 Ca -0.07 -1.02 -0.32 0.00 -1.18 0.00 0.00 61.69 59.11 1qix s THR 154 Cb 0.07 -2.73 -0.13 0.00 1.34 0.00 0.00 72.50 71.05 1qix s THR 154 CO 0.86 0.19 1.49 -0.11 -0.54 0.00 0.00 174.62 176.51 1qix n LEU 155 N 0.85 3.37 -4.68 4.79 7.94 -0.61 -4.82 117.00 123.84 1qix n LEU 155 Ca -0.13 1.13 -0.26 0.00 -1.11 0.00 0.00 56.01 55.64 1qix n LEU 155 Cb 0.52 -1.46 -0.07 0.00 0.53 0.00 0.00 43.42 42.93 1qix n LEU 155 CO 0.35 -0.30 -0.31 -1.10 -1.11 0.00 0.00 177.39 174.92 1qix s GLN 156 N -0.07 2.45 0.04 1.96 -1.52 -0.83 -1.09 119.66 120.59 1qix s GLN 156 Ca 0.70 -1.13 0.03 0.00 -1.95 0.00 0.00 55.36 53.01 1qix s GLN 156 Cb -0.62 -2.36 -0.02 0.00 -0.22 0.00 0.00 33.01 29.78 1qix s GLN 156 CO 0.46 0.44 -0.10 1.14 -0.25 0.00 0.00 175.29 176.98 1qix s GLN 157 N -3.10 0.66 -0.01 2.91 -2.07 0.03 -2.04 119.66 116.03 1qix s GLN 157 Ca 0.28 -0.69 -0.02 0.00 -1.82 0.00 0.00 55.36 53.11 1qix s GLN 157 Cb -0.09 -0.56 0.00 0.00 -1.09 0.00 0.00 33.01 31.27 1qix s GLN 157 CO 0.19 0.13 0.05 0.00 -1.32 0.00 0.00 175.29 174.34 1qix s ALA 158 N -1.01 -0.11 -0.05 2.60 0.00 -0.67 -0.66 121.76 121.86 1qix s ALA 158 Ca -0.04 0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.63 1qix s ALA 158 Cb -0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1qix s ALA 158 CO 0.01 -0.06 1.23 -0.47 0.00 0.00 0.00 175.76 176.46 1qix s TYR 159 N -0.33 3.14 -0.34 0.00 5.04 -1.26 -1.28 117.35 122.32 1qix s TYR 159 Ca -0.04 1.16 -0.00 0.00 -2.44 0.00 0.00 57.07 55.75 1qix s TYR 159 Cb -0.03 -3.46 0.13 0.00 0.35 0.00 0.00 41.96 38.96 1qix s TYR 159 CO 0.00 -1.47 0.21 -0.51 -1.34 0.00 0.00 175.55 172.44 1qix s LEU 160 N 2.26 0.77 0.54 6.97 1.43 0.81 -4.94 118.68 126.52 1qix s LEU 160 Ca 0.57 -1.95 -0.20 0.00 -1.03 0.00 0.00 54.13 51.52 1qix s LEU 160 Cb -0.25 -0.28 -0.05 0.00 0.03 0.00 0.00 46.19 45.63 1qix s LEU 160 CO 0.22 -0.33 1.20 -2.16 0.23 0.00 0.00 176.35 175.51 1qix s PRO 161 N 1.31 3.30 0.71 1.29 0.04 -1.26 -4.03 135.00 136.36 1qix s PRO 161 Ca 0.16 1.81 -0.13 0.00 0.04 0.00 0.00 61.00 62.88 1qix s PRO 161 Cb -0.21 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.24 1qix s PRO 161 CO -0.07 -0.94 1.10 0.95 0.04 0.00 0.00 177.00 178.08 1qix s THR 162 N -1.59 3.31 -0.22 1.26 -4.23 -0.60 -0.87 115.64 112.71 1qix s THR 162 Ca 0.72 0.52 0.01 0.00 -1.18 0.00 0.00 61.69 61.76 1qix s THR 162 Cb -0.30 -3.03 0.05 0.00 1.34 0.00 0.00 72.50 70.56 1qix s THR 162 CO 0.34 -0.47 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.15 1qix s VAL 163 N -2.62 1.78 1.03 2.29 1.01 -0.20 -0.80 120.40 122.89 1qix s VAL 163 Ca 0.64 -1.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 1qix s VAL 163 Cb -0.19 -1.87 0.21 0.00 0.00 0.00 0.00 36.38 34.53 1qix s VAL 163 CO 0.48 0.11 1.08 1.51 0.00 0.00 0.00 175.10 178.28 1qix s ASP 164 N 1.32 2.08 0.21 3.32 1.47 -1.26 -3.97 116.67 119.83 1qix s ASP 164 Ca -0.03 1.76 -0.10 0.00 1.18 0.00 0.00 52.55 55.36 1qix s ASP 164 Cb -0.17 -2.38 0.27 0.00 -0.34 0.00 0.00 42.92 40.30 1qix s ASP 164 CO -0.07 -3.56 1.74 0.22 0.68 0.00 0.00 175.17 174.18 1qix h TYR 165 N -2.18 0.36 -0.65 2.11 3.20 -1.93 0.17 116.97 118.04 1qix h TYR 165 Ca -0.53 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.41 1qix h TYR 165 Cb 1.30 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 39.45 1qix h TYR 165 CO 0.38 0.08 0.38 0.00 -1.64 0.00 0.00 178.16 177.36 1qix h ALA 166 N 1.42 0.86 -0.01 1.82 0.00 -1.97 -0.03 119.26 121.35 1qix h ALA 166 Ca 0.30 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 1qix h ALA 166 Cb 0.38 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1qix h ALA 166 CO -0.32 0.10 -0.52 0.82 0.00 0.00 0.00 179.25 179.33 1qix h ILE 167 N 0.73 1.44 -0.17 0.00 2.04 -1.80 -3.31 117.51 116.44 1qix h ILE 167 Ca 0.28 -2.02 -0.06 0.00 1.00 0.00 0.00 64.86 64.07 1qix h ILE 167 Cb 0.10 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 1qix h ILE 167 CO -0.14 0.58 -0.15 0.00 0.00 0.00 0.00 178.15 178.44 1qix n SER 169 N -4.24 7.27 0.00 0.00 3.41 -0.04 -1.39 113.62 118.63 1qix n SER 169 Ca -0.01 -3.02 0.00 0.00 -0.26 0.00 0.00 58.87 55.58 1qix n SER 169 Cb 0.29 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 62.80 1qix n SER 169 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1qix n SER 170 N 2.75 0.00 0.00 4.04 3.41 -1.26 -3.61 113.62 118.95 1qix n SER 170 Ca 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1qix n SER 170 Cb 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1qix n SER 170 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1qix n TYR 171 N 0.00 0.00 1.01 7.33 4.02 -1.26 -4.87 117.16 123.39 1qix n TYR 171 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.00 1qix n TYR 171 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.31 1qix n TYR 171 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1qix n TRP 172 N 0.00 0.00 -4.94 -0.72 7.02 -0.49 -4.88 117.44 113.44 1qix n TRP 172 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1qix n TRP 172 Cb 0.00 -0.05 0.00 0.00 -2.42 0.00 0.00 31.31 28.84 1qix n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1qix n GLY 173 N 1.48 1.83 0.07 6.99 0.00 -1.21 -2.87 105.19 111.48 1qix n GLY 173 Ca 0.05 -0.52 0.10 0.00 0.00 0.00 0.00 46.02 45.65 1qix n GLY 173 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qix n SER 174 N -0.95 0.37 -0.14 1.61 7.64 -1.26 -3.22 113.62 117.67 1qix n SER 174 Ca 0.00 0.58 -0.01 0.00 1.01 0.00 0.00 58.87 60.46 1qix n SER 174 Cb 0.00 -0.66 0.25 0.00 -1.01 0.00 0.00 64.21 62.78 1qix n SER 174 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1qix h THR 175 N 0.00 1.20 -3.40 0.44 2.02 -1.91 -3.42 112.91 107.83 1qix h THR 175 Ca 0.00 -0.55 -0.55 0.00 0.77 0.00 0.00 66.41 66.08 1qix h THR 175 Cb 0.36 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1qix h THR 175 CO 0.00 0.23 0.05 0.54 0.37 0.00 0.00 175.52 176.71 1qix s VAL 176 N -5.49 4.62 0.41 3.16 0.11 -1.20 -4.80 120.40 117.22 1qix s VAL 176 Ca -0.10 1.29 0.07 0.00 -2.93 0.00 0.00 61.98 60.32 1qix s VAL 176 Cb 0.17 -3.92 -0.06 0.00 -1.53 0.00 0.00 36.38 31.04 1qix s VAL 176 CO 0.78 0.41 0.13 -0.54 -3.33 0.00 0.00 175.10 172.55 1qix s LYS 177 N -1.46 2.14 0.29 1.54 -0.14 -1.26 -4.91 119.74 115.94 1qix s LYS 177 Ca 0.35 -1.92 0.24 0.00 -1.36 0.00 0.00 55.97 53.29 1qix s LYS 177 Cb -0.19 -1.88 1.04 0.00 -1.68 0.00 0.00 37.83 35.12 1qix s LYS 177 CO 0.21 -0.09 1.73 -0.97 -0.76 0.00 0.00 175.35 175.47 1qix h ASN 178 N 1.54 0.00 -0.15 2.83 -1.24 -1.98 -2.22 115.58 114.36 1qix h ASN 178 Ca -0.43 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.58 1qix h ASN 178 Cb 1.25 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.30 1qix h ASN 178 CO 0.73 0.00 0.00 -1.54 -1.29 0.00 0.00 177.43 175.33 1qix n SER 179 N -2.31 1.28 -4.37 1.15 3.41 -1.26 -4.87 113.62 106.65 1qix n SER 179 Ca 0.02 -2.07 -0.19 0.00 -0.26 0.00 0.00 58.87 56.36 1qix n SER 179 Cb 0.21 -0.26 -0.10 0.00 -0.26 0.00 0.00 64.21 63.80 1qix n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1qix s MET 180 N -1.64 1.40 -0.04 4.33 -1.94 -0.84 -0.86 119.30 119.70 1qix s MET 180 Ca 0.11 -1.64 0.07 0.00 -1.71 0.00 0.00 55.69 52.51 1qix s MET 180 Cb 0.07 -1.16 -0.02 0.00 2.01 0.00 0.00 34.83 35.74 1qix s MET 180 CO 0.06 0.16 -0.24 0.08 -0.01 0.00 0.00 175.02 175.06 1qix s VAL 181 N -2.96 2.15 -0.03 -6.03 1.01 0.52 -4.68 120.40 110.37 1qix s VAL 181 Ca 0.25 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 1qix s VAL 181 Cb 0.00 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1qix s VAL 181 CO 0.08 0.57 0.07 0.00 0.00 0.00 0.00 175.10 175.83 1qix s ALA 183 N -1.11 -0.51 0.00 0.00 0.00 -0.80 -1.03 121.76 118.31 1qix s ALA 183 Ca 0.20 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1qix s ALA 183 Cb -0.12 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1qix s ALA 183 CO 0.10 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.14 1qix n GLY 184 N 2.59 0.75 1.34 0.00 0.00 -0.05 -1.47 105.19 108.34 1qix n GLY 184 Ca -0.15 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1qix n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qix n GLY 185 N 0.00 0.61 0.22 -0.02 0.00 -1.26 -4.64 105.19 100.10 1qix n GLY 185 Ca 0.00 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 45.66 1qix n GLY 185 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qix n ASP 186 N 0.89 0.67 0.00 1.61 5.68 -1.26 -1.15 116.55 122.99 1qix n ASP 186 Ca 0.00 -1.33 0.00 0.00 -0.50 0.00 0.00 54.79 52.96 1qix n ASP 186 Cb 0.00 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 1qix n ASP 186 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qix n GLY 187 N 1.03 2.55 0.28 6.12 0.00 -1.26 -4.75 105.19 109.15 1qix n GLY 187 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 1qix n GLY 187 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qix n VAL 188 N -2.00 0.65 -4.46 1.61 0.31 -1.26 -4.57 118.33 108.61 1qix n VAL 188 Ca 0.00 -0.21 -0.30 0.00 -0.01 0.00 0.00 64.34 63.81 1qix n VAL 188 Cb 0.00 -1.19 -0.11 0.00 -0.91 0.00 0.00 33.84 31.62 1qix n VAL 188 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1qix s ARG 188 N -2.22 2.08 0.00 5.55 0.52 -1.26 -3.69 118.95 119.93 1qix s ARG 188 Ca -0.16 -1.00 0.00 0.00 -0.52 0.00 0.00 55.73 54.05 1qix s ARG 188 Cb 0.05 -2.24 0.00 0.00 0.52 0.00 0.00 34.95 33.28 1qix s ARG 188 CO 0.24 0.53 0.00 -1.13 0.02 0.00 0.00 175.30 174.96 1qix n SER 189 N 1.20 0.00 -4.89 0.23 3.41 -1.02 -4.34 113.62 108.21 1qix n SER 189 Ca -0.15 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.16 1qix n SER 189 Cb 0.52 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.53 1qix n SER 189 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1qix s GLY 190 N 0.00 1.62 0.36 5.00 0.00 -1.26 -0.65 107.32 112.38 1qix s GLY 190 Ca 0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 44.72 44.20 1qix s GLY 190 CO 0.00 -0.06 0.57 0.00 0.00 0.00 0.00 173.10 173.61 1qix n GLN 192 N -0.57 1.58 0.00 0.00 3.00 -1.26 -1.59 117.38 118.54 1qix n GLN 192 Ca -0.02 0.56 0.00 0.00 -0.01 0.00 0.00 57.00 57.53 1qix n GLN 192 Cb 0.61 -2.09 0.00 0.00 0.00 0.00 0.00 30.24 28.76 1qix n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1qix n GLY 193 N 1.79 2.20 0.09 1.08 0.00 -1.26 -1.17 105.19 107.93 1qix n GLY 193 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 1qix n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qix h ASP 194 N 0.00 0.00 -1.00 1.61 3.32 -1.58 -3.33 116.42 115.45 1qix h ASP 194 Ca 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.36 1qix h ASP 194 Cb 0.00 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.65 1qix h ASP 194 CO 0.00 0.69 -0.43 -1.20 -1.72 0.00 0.00 179.24 176.58 1qix n SER 195 N -2.98 -1.03 0.00 6.45 7.64 -1.26 -1.84 113.62 120.60 1qix n SER 195 Ca -0.10 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.92 1qix n SER 195 Cb 0.88 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 1qix n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qix n GLY 196 N 1.91 3.14 3.78 0.23 0.00 0.07 -0.20 105.19 114.11 1qix n GLY 196 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1qix n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qix s GLY 197 N -2.14 1.69 0.48 -0.02 0.00 -0.76 -3.30 107.32 103.27 1qix s GLY 197 Ca 0.00 -1.11 -0.10 0.00 0.00 0.00 0.00 44.72 43.51 1qix s GLY 197 CO 0.00 -0.28 0.85 2.56 0.00 0.00 0.00 173.10 176.23 1qix s PRO 198 N -5.69 3.70 -0.24 2.90 0.04 -1.26 -0.67 135.00 133.78 1qix s PRO 198 Ca 0.73 0.50 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1qix s PRO 198 Cb -0.06 -2.30 0.04 0.00 0.04 0.00 0.00 34.50 32.21 1qix s PRO 198 CO 0.54 -0.20 -0.10 -1.17 0.04 0.00 0.00 177.00 176.11 1qix s LEU 199 N -4.36 3.09 -0.21 -3.56 2.96 -0.78 -3.49 118.68 112.33 1qix s LEU 199 Ca 0.52 -0.99 -0.13 0.00 -0.22 0.00 0.00 54.13 53.30 1qix s LEU 199 Cb -0.10 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 1qix s LEU 199 CO 0.39 -0.13 0.28 -1.00 -1.32 0.00 0.00 176.35 174.57 1qix s HIS 200 N 1.25 3.37 0.04 5.38 3.76 0.21 -1.51 115.29 127.79 1qix s HIS 200 Ca -0.02 0.46 0.07 0.00 -0.15 0.00 0.00 55.06 55.43 1qix s HIS 200 Cb -0.17 -2.38 -0.02 0.00 1.11 0.00 0.00 32.58 31.12 1qix s HIS 200 CO -0.06 0.08 -0.22 0.00 -0.85 0.00 0.00 174.74 173.69 1qix s LEU 202 N -1.13 4.11 -0.05 0.00 2.96 -0.87 -0.66 118.68 123.04 1qix s LEU 202 Ca 0.08 0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 54.47 1qix s LEU 202 Cb -0.09 -2.77 0.03 0.00 0.50 0.00 0.00 46.19 43.86 1qix s LEU 202 CO 0.02 -0.40 0.02 -0.69 -1.32 0.00 0.00 176.35 173.97 1qix s VAL 203 N 2.49 0.21 -1.52 1.68 1.01 -0.32 -4.76 120.40 119.18 1qix s VAL 203 Ca 0.24 0.20 -0.13 0.00 0.00 0.00 0.00 61.98 62.29 1qix s VAL 203 Cb -0.15 -0.38 0.08 0.00 0.00 0.00 0.00 36.38 35.93 1qix s VAL 203 CO 0.10 0.22 0.97 0.59 0.00 0.00 0.00 175.10 176.98 1qix n ASN 204 N 4.99 -4.61 0.00 3.32 5.03 -1.26 -1.77 115.26 120.97 1qix n ASN 204 Ca -0.10 -0.78 0.00 0.00 0.87 0.00 0.00 54.58 54.57 1qix n ASN 204 Cb 0.50 -3.90 0.00 0.00 -1.02 0.00 0.00 39.78 35.36 1qix n ASN 204 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qix n GLY 205 N -1.69 0.47 3.04 7.41 0.00 -1.26 -5.00 105.19 108.16 1qix n GLY 205 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 1qix n GLY 205 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1qix s GLN 206 N -0.29 0.73 -0.09 1.61 0.74 -0.73 -5.12 119.66 116.51 1qix s GLN 206 Ca 0.00 -0.43 -0.28 0.00 0.05 0.00 0.00 55.36 54.70 1qix s GLN 206 Cb 0.00 -0.69 -0.02 0.00 1.10 0.00 0.00 33.01 33.40 1qix s GLN 206 CO 0.00 0.18 0.91 0.71 -0.55 0.00 0.00 175.29 176.55 1qix s TYR 207 N -0.43 3.53 0.19 1.67 2.02 -1.26 -1.17 117.35 121.90 1qix s TYR 207 Ca 0.02 1.48 0.09 0.00 -0.37 0.00 0.00 57.07 58.29 1qix s TYR 207 Cb -0.05 -3.08 -0.04 0.00 -0.40 0.00 0.00 41.96 38.39 1qix s TYR 207 CO 0.00 -0.14 -0.17 0.00 -1.57 0.00 0.00 175.55 173.67 1qix s ALA 208 N 1.66 2.11 -0.55 3.71 0.00 0.17 -4.62 121.76 124.23 1qix s ALA 208 Ca 0.45 -1.59 -0.22 0.00 0.00 0.00 0.00 51.96 50.60 1qix s ALA 208 Cb -0.18 -0.16 0.06 0.00 0.00 0.00 0.00 23.12 22.83 1qix s ALA 208 CO 0.19 0.19 0.81 0.08 0.00 0.00 0.00 175.76 177.02 1qix s VAL 209 N -2.39 4.59 -0.37 0.00 1.01 0.37 -0.56 120.40 123.06 1qix s VAL 209 Ca 0.20 -0.21 0.22 0.00 0.00 0.00 0.00 61.98 62.19 1qix s VAL 209 Cb -0.04 -4.47 -0.28 0.00 0.00 0.00 0.00 36.38 31.60 1qix s VAL 209 CO 0.08 -1.05 0.67 1.41 0.00 0.00 0.00 175.10 176.21 1qix n HIS 210 N 6.93 0.06 -4.18 5.22 8.25 -0.57 -4.36 115.22 126.57 1qix n HIS 210 Ca -0.03 0.02 -0.14 0.00 -0.26 0.00 0.00 57.72 57.31 1qix n HIS 210 Cb 0.46 -0.37 -0.11 0.00 1.12 0.00 0.00 29.99 31.09 1qix n HIS 210 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1qix s GLY 211 N -4.00 0.85 -0.21 -1.41 0.00 -1.18 -1.97 107.32 99.39 1qix s GLY 211 Ca -0.02 -1.21 0.01 0.00 0.00 0.00 0.00 44.72 43.49 1qix s GLY 211 CO 0.88 -1.29 -0.15 0.14 0.00 0.00 0.00 173.10 172.69 1qix s VAL 212 N -2.58 2.30 0.15 1.40 1.01 -0.90 -1.87 120.40 119.91 1qix s VAL 212 Ca 0.06 -1.09 -0.33 0.00 0.00 0.00 0.00 61.98 60.63 1qix s VAL 212 Cb -0.02 -2.10 -0.13 0.00 0.00 0.00 0.00 36.38 34.14 1qix s VAL 212 CO -0.00 0.34 1.69 0.41 0.00 0.00 0.00 175.10 177.54 1qix n THR 213 N 4.60 0.11 0.04 3.92 -1.04 0.15 -0.27 114.28 121.80 1qix n THR 213 Ca -0.18 -0.02 -0.00 0.00 -2.04 0.00 0.00 64.05 61.80 1qix n THR 213 Cb 0.48 -1.80 -0.00 0.00 -1.82 0.00 0.00 70.33 67.19 1qix n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1qix n SER 214 N 4.24 1.02 -3.92 8.00 2.88 0.12 -0.75 113.62 125.21 1qix n SER 214 Ca 0.17 0.13 -0.09 0.00 -1.33 0.00 0.00 58.87 57.75 1qix n SER 214 Cb 0.32 -0.31 -0.05 0.00 -0.75 0.00 0.00 64.21 63.42 1qix n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1qix s PHE 215 N -2.00 0.21 0.07 0.66 -0.12 -0.89 -4.89 117.98 111.00 1qix s PHE 215 Ca -0.00 -0.57 0.01 0.00 -0.05 0.00 0.00 56.93 56.32 1qix s PHE 215 Cb 0.00 0.24 -0.00 0.00 -0.63 0.00 0.00 43.02 42.63 1qix s PHE 215 CO 0.00 -0.95 0.02 1.33 -0.05 0.00 0.00 175.22 175.58 1qix n VAL 216 N -0.35 0.00 -2.05 -2.49 0.24 -1.26 -0.99 118.33 111.43 1qix n VAL 216 Ca -0.05 -0.39 -0.30 0.00 -2.04 0.00 0.00 64.34 61.57 1qix n VAL 216 Cb 0.62 0.14 0.02 0.00 -1.47 0.00 0.00 33.84 33.15 1qix n VAL 216 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1qix s SER 217 N -1.40 5.96 0.47 -1.34 0.15 -1.22 -4.95 113.70 111.36 1qix s SER 217 Ca 0.04 1.19 0.26 0.00 0.70 0.00 0.00 55.95 58.14 1qix s SER 217 Cb 0.00 -2.21 0.87 0.00 -1.71 0.00 0.00 66.02 62.98 1qix s SER 217 CO 0.02 -0.97 1.80 0.08 1.20 0.00 0.00 173.24 175.37 1qix h ARG 217 N -0.31 0.00 0.00 5.44 -0.00 -2.01 -2.89 114.38 114.61 1qix h ARG 217 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.53 1qix h ARG 217 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.19 1qix h ARG 217 CO 0.62 0.12 0.00 -0.07 -0.00 0.00 0.00 179.97 180.64 1qix h LEU 218 N 0.00 0.00 0.00 0.08 3.38 -2.02 -3.48 115.31 113.27 1qix h LEU 218 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qix h LEU 218 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1qix h LEU 218 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1qix n GLY 219 N 0.34 1.60 0.18 0.83 0.00 -1.09 -5.04 105.19 102.01 1qix n GLY 219 Ca 0.02 -1.59 -0.06 0.00 0.00 0.00 0.00 46.02 44.39 1qix n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qix s ASN 221 N -4.98 6.37 -0.06 0.00 4.22 -1.26 -4.67 114.94 114.56 1qix s ASN 221 Ca -0.05 -1.72 0.03 0.00 -2.14 0.00 0.00 52.86 48.97 1qix s ASN 221 Cb 0.01 -2.32 0.01 0.00 1.28 0.00 0.00 41.25 40.22 1qix s ASN 221 CO 0.16 -1.05 -0.13 -0.69 -2.04 0.00 0.00 177.10 173.34 1qix s VAL 221 N 2.44 1.17 0.18 3.54 1.01 -1.26 -4.76 120.40 122.71 1qix s VAL 221 Ca 0.18 -0.52 -0.33 0.00 0.00 0.00 0.00 61.98 61.32 1qix s VAL 221 Cb -0.17 -1.05 -0.12 0.00 0.00 0.00 0.00 36.38 35.04 1qix s VAL 221 CO 0.01 0.36 1.70 0.41 0.00 0.00 0.00 175.10 177.58 1qix n THR 222 N 3.63 0.06 -1.51 3.92 -1.04 -1.26 -1.32 114.28 116.77 1qix n THR 222 Ca -0.21 -0.01 -0.13 0.00 -2.04 0.00 0.00 64.05 61.65 1qix n THR 222 Cb 0.52 -1.87 -0.05 0.00 -1.82 0.00 0.00 70.33 67.11 1qix n THR 222 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1qix n ARG 223 N 4.10 -0.95 -3.33 -2.82 1.74 -0.30 -4.92 116.66 110.19 1qix n ARG 223 Ca 0.17 0.92 -0.26 0.00 -0.77 0.00 0.00 57.85 57.91 1qix n ARG 223 Cb 0.33 -5.02 -0.08 0.00 -1.02 0.00 0.00 32.46 26.68 1qix n ARG 223 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1qix n LYS 224 N -2.57 1.68 -1.09 5.56 4.76 -0.43 -4.35 118.16 121.72 1qix n LYS 224 Ca -0.14 -4.01 -0.34 0.00 -2.87 0.00 0.00 58.31 50.95 1qix n LYS 224 Cb 0.46 -1.79 0.10 0.00 -1.84 0.00 0.00 35.03 31.97 1qix n LYS 224 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1qix n PRO 225 N 1.15 0.11 -2.16 1.97 -0.04 -1.26 -4.50 135.00 130.27 1qix n PRO 225 Ca 0.26 0.09 -0.39 0.00 -0.04 0.00 0.00 63.50 63.42 1qix n PRO 225 Cb 0.46 -2.02 -0.01 0.00 -0.04 0.00 0.00 33.50 31.90 1qix n PRO 225 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1qix s THR 226 N -2.10 2.86 -0.12 0.52 2.01 -0.54 -4.81 115.64 113.46 1qix s THR 226 Ca 0.65 0.74 0.00 0.00 0.31 0.00 0.00 61.69 63.39 1qix s THR 226 Cb -0.29 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 1qix s THR 226 CO 0.58 0.08 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.78 1qix s VAL 227 N -1.34 3.12 0.20 3.82 1.01 -0.16 -1.90 120.40 125.14 1qix s VAL 227 Ca 0.58 -0.65 0.11 0.00 0.00 0.00 0.00 61.98 62.03 1qix s VAL 227 Cb -0.34 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1qix s VAL 227 CO 0.43 0.53 -0.23 -0.36 0.00 0.00 0.00 175.10 175.47 1qix s PHE 228 N 0.20 2.27 0.29 5.22 0.40 0.06 -0.71 117.98 125.71 1qix s PHE 228 Ca -0.08 -0.36 -0.29 0.00 -0.60 0.00 0.00 56.93 55.60 1qix s PHE 228 Cb -0.15 -1.11 -0.10 0.00 0.51 0.00 0.00 43.02 42.17 1qix s PHE 228 CO 0.05 0.51 1.26 0.99 0.70 0.00 0.00 175.22 178.73 1qix s THR 229 N -1.78 3.01 -0.44 0.64 2.01 0.63 -0.36 115.64 119.36 1qix s THR 229 Ca 0.21 0.97 -0.26 0.00 0.31 0.00 0.00 61.69 62.93 1qix s THR 229 Cb -0.07 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.84 1qix s THR 229 CO 0.10 0.21 0.94 -0.60 -0.69 0.00 0.00 174.62 174.58 1qix s ARG 230 N -1.32 3.60 0.22 4.92 3.52 -0.04 -2.12 118.95 127.73 1qix s ARG 230 Ca 0.50 0.27 -0.08 0.00 -0.13 0.00 0.00 55.73 56.28 1qix s ARG 230 Cb -0.37 -3.90 0.27 0.00 -1.56 0.00 0.00 34.95 29.39 1qix s ARG 230 CO 0.47 -1.18 1.82 0.28 -0.81 0.00 0.00 175.30 175.87 1qix h VAL 231 N 6.04 0.98 0.00 7.11 2.07 -1.70 -1.83 116.25 128.92 1qix h VAL 231 Ca -0.24 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1qix h VAL 231 Cb 1.08 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1qix h VAL 231 CO 1.02 0.14 0.01 0.77 0.02 0.00 0.00 177.57 179.53 1qix h SER 232 N 0.74 0.00 1.20 0.57 4.64 -1.87 -0.39 113.55 118.44 1qix h SER 232 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1qix h SER 232 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1qix h SER 232 CO -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.77 1qix n ALA 233 N -1.89 2.24 -0.56 5.18 0.00 -0.69 -1.04 120.51 123.75 1qix n ALA 233 Ca -0.02 -0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.41 1qix n ALA 233 Cb 0.05 -1.45 0.05 0.00 0.00 0.00 0.00 19.45 18.10 1qix n ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qix n TYR 234 N -1.92 0.00 -0.27 0.00 4.01 -0.16 -4.81 117.16 114.02 1qix n TYR 234 Ca 0.06 -0.61 -0.04 0.00 -0.16 0.00 0.00 57.90 57.15 1qix n TYR 234 Cb 0.37 -0.08 0.08 0.00 -0.31 0.00 0.00 39.34 39.40 1qix n TYR 234 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1qix h ILE 235 N 0.59 1.14 -0.56 -0.72 1.08 -1.71 0.11 117.51 117.45 1qix h ILE 235 Ca 0.00 -0.33 0.01 0.00 -0.39 0.00 0.00 64.86 64.15 1qix h ILE 235 Cb 0.76 0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 1qix h ILE 235 CO 0.00 0.18 0.37 0.28 -0.69 0.00 0.00 178.15 178.28 1qix h SER 236 N 0.96 0.63 -0.27 1.72 0.02 -1.91 -0.64 113.55 114.06 1qix h SER 236 Ca 0.29 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 1qix h SER 236 Cb -0.04 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1qix h SER 236 CO -0.09 0.46 0.12 -0.25 -1.14 0.00 0.00 176.83 175.93 1qix h TRP 237 N 0.75 0.41 -0.39 3.45 7.01 -1.80 -0.11 115.95 125.27 1qix h TRP 237 Ca 0.21 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 1qix h TRP 237 Cb -0.08 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 26.84 1qix h TRP 237 CO -0.04 0.39 0.21 0.82 -2.79 0.00 0.00 178.44 177.04 1qix h ILE 238 N 0.30 1.15 -0.56 2.65 2.04 -0.46 -1.01 117.51 121.62 1qix h ILE 238 Ca 0.09 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1qix h ILE 238 Cb 0.15 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1qix h ILE 238 CO -0.01 0.15 0.26 0.78 0.00 0.00 0.00 178.15 179.33 1qix h ASN 239 N 0.50 0.71 -0.50 1.72 -0.26 -1.03 -2.51 115.58 114.21 1qix h ASN 239 Ca 0.14 -0.07 -0.10 0.00 -0.56 0.00 0.00 56.30 55.71 1qix h ASN 239 Cb 0.05 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.11 1qix h ASN 239 CO -0.02 0.61 -0.05 0.78 -1.06 0.00 0.00 177.43 177.68 1qix h ASN 240 N 0.79 0.94 0.31 5.81 2.35 -0.34 -2.04 115.58 123.39 1qix h ASN 240 Ca 0.19 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1qix h ASN 240 Cb 0.10 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.22 1qix h ASN 240 CO -0.02 1.03 -0.15 0.58 -1.65 0.00 0.00 177.43 177.22 1qix h VAL 241 N 0.87 0.72 -0.83 2.81 2.07 -0.94 -3.13 116.25 117.82 1qix h VAL 241 Ca 0.15 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1qix h VAL 241 Cb 0.58 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1qix h VAL 241 CO 0.04 0.08 0.46 0.40 0.02 0.00 0.00 177.57 178.57 1qix h ILE 242 N -0.64 1.24 0.00 4.57 2.04 -1.42 -2.16 117.51 121.14 1qix h ILE 242 Ca -0.04 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 1qix h ILE 242 Cb 0.45 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1qix h ILE 242 CO 0.07 0.27 -0.20 0.00 0.00 0.00 0.00 178.15 178.28 1qix h ALA 243 N 1.34 1.29 -0.27 1.87 0.00 -1.46 -3.05 119.26 118.98 1qix h ALA 243 Ca 0.29 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1qix h ALA 243 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1qix h ALA 243 CO -0.05 0.26 0.00 -1.13 0.00 0.00 0.00 179.25 178.33 1qix n SER 244 N -3.75 2.83 0.00 0.00 3.41 -1.02 -5.10 113.62 109.98 1qix n SER 244 Ca -0.02 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 1qix n SER 244 Cb 0.31 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1qix n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47