#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qhx s VAL 6 N 0.00 5.20 0.61 1.08 1.01 -1.26 -5.07 120.40 121.98 2qhx s VAL 6 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 61.98 61.82 2qhx s VAL 6 Cb 0.00 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2qhx s VAL 6 CO 0.00 -0.06 1.05 -2.16 0.00 0.00 0.00 175.10 173.93 2qhx s PRO 7 N 1.93 3.26 -0.06 2.72 0.04 -1.26 -4.81 135.00 136.82 2qhx s PRO 7 Ca 0.10 1.12 0.06 0.00 0.04 0.00 0.00 61.00 62.32 2qhx s PRO 7 Cb -0.17 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 2qhx s PRO 7 CO 0.11 -0.85 -0.24 0.08 0.04 0.00 0.00 177.00 176.14 2qhx s VAL 8 N -2.62 1.98 -0.07 -0.36 1.01 -1.26 -0.72 120.40 118.36 2qhx s VAL 8 Ca 0.62 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.63 2qhx s VAL 8 Cb -0.15 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 2qhx s VAL 8 CO 0.41 0.55 -0.23 0.00 0.00 0.00 0.00 175.10 175.83 2qhx s ALA 9 N -0.06 2.23 -0.28 5.51 0.00 0.01 -0.25 121.76 128.93 2qhx s ALA 9 Ca -0.06 -1.01 -0.10 0.00 0.00 0.00 0.00 51.96 50.79 2qhx s ALA 9 Cb -0.14 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 2qhx s ALA 9 CO 0.04 0.38 0.15 -1.17 0.00 0.00 0.00 175.76 175.16 2qhx s LEU 10 N -0.02 3.85 -0.23 0.00 2.96 0.69 -0.36 118.68 125.57 2qhx s LEU 10 Ca -0.08 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 2qhx s LEU 10 Cb -0.15 -2.04 0.04 0.00 0.50 0.00 0.00 46.19 44.54 2qhx s LEU 10 CO 0.05 -0.07 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.20 2qhx s VAL 11 N 1.69 2.36 0.31 1.68 1.01 -0.81 -0.47 120.40 126.17 2qhx s VAL 11 Ca 0.07 -1.23 -0.23 0.00 0.00 0.00 0.00 61.98 60.58 2qhx s VAL 11 Cb -0.16 -2.21 -0.09 0.00 0.00 0.00 0.00 36.38 33.92 2qhx s VAL 11 CO 0.08 0.22 0.88 0.42 0.00 0.00 0.00 175.10 176.69 2qhx s THR 12 N 1.23 4.34 -1.25 3.92 -4.23 -0.88 -1.36 115.64 117.42 2qhx s THR 12 Ca -0.02 1.61 -0.01 0.00 -1.18 0.00 0.00 61.69 62.10 2qhx s THR 12 Cb -0.17 -3.92 -0.00 0.00 1.34 0.00 0.00 72.50 69.75 2qhx s THR 12 CO -0.07 0.10 0.83 0.61 -0.54 0.00 0.00 174.62 175.55 2qhx n GLY 13 N 0.46 -0.37 0.40 3.99 0.00 -1.10 -2.19 105.19 106.37 2qhx n GLY 13 Ca 0.01 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.31 2qhx n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qhx n ALA 14 N -4.16 2.83 -0.16 4.61 0.00 0.08 -4.14 120.51 119.56 2qhx n ALA 14 Ca -0.28 -0.44 -0.11 0.00 0.00 0.00 0.00 53.44 52.61 2qhx n ALA 14 Cb 0.67 -1.12 -0.00 0.00 0.00 0.00 0.00 19.45 19.00 2qhx n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qhx h ALA 15 N 4.05 0.67 -4.19 0.00 0.00 -1.88 -2.59 119.26 115.32 2qhx h ALA 15 Ca 0.00 -0.34 -0.32 0.00 0.00 0.00 0.00 54.91 54.25 2qhx h ALA 15 Cb 0.53 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 2qhx h ALA 15 CO 0.00 0.58 -0.24 0.36 0.00 0.00 0.00 179.25 179.95 2qhx n LYS 16 N -4.22 0.55 0.00 0.00 2.85 -1.26 -4.47 118.16 111.61 2qhx n LYS 16 Ca 0.00 -2.71 0.00 0.00 -1.05 0.00 0.00 58.31 54.55 2qhx n LYS 16 Cb 0.40 2.46 0.00 0.00 -0.65 0.00 0.00 35.03 37.24 2qhx n LYS 16 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qhx n ARG 17 N -0.54 0.00 -0.13 -1.58 1.74 -1.26 -2.28 116.66 112.60 2qhx n ARG 17 Ca 0.03 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.00 2qhx n ARG 17 Cb 0.54 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.96 2qhx n ARG 17 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2qhx h LEU 18 N 0.00 0.67 -0.59 0.55 3.38 -1.92 -2.35 115.31 115.04 2qhx h LEU 18 Ca 0.00 -0.31 0.07 0.00 0.09 0.00 0.00 57.88 57.72 2qhx h LEU 18 Cb 0.00 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.51 2qhx h LEU 18 CO 0.00 0.82 0.29 1.23 0.09 0.00 0.00 178.44 180.87 2qhx h GLY 19 N 0.50 0.85 0.99 0.83 0.00 -1.68 0.11 103.07 104.67 2qhx h GLY 19 Ca 0.11 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.26 2qhx h GLY 19 CO 0.02 0.08 0.32 -0.09 0.00 0.00 0.00 176.54 176.87 2qhx h ARG 20 N 0.53 0.63 -0.66 4.80 2.43 -1.04 0.98 114.38 122.06 2qhx h ARG 20 Ca 0.28 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 2qhx h ARG 20 Cb 0.24 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 2qhx h ARG 20 CO -0.21 0.42 0.32 1.03 -1.51 0.00 0.00 179.97 180.02 2qhx h SER 21 N 0.65 0.84 -0.14 -3.80 0.87 -0.82 0.16 113.55 111.32 2qhx h SER 21 Ca 0.18 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 2qhx h SER 21 Cb -0.06 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.68 2qhx h SER 21 CO -0.05 0.71 -0.07 0.40 -0.53 0.00 0.00 176.83 177.29 2qhx h ILE 22 N 0.93 1.31 -0.57 2.23 2.04 -0.44 0.66 117.51 123.67 2qhx h ILE 22 Ca 0.23 -1.10 0.04 0.00 1.00 0.00 0.00 64.86 65.03 2qhx h ILE 22 Cb 0.09 1.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 2qhx h ILE 22 CO -0.03 0.32 0.32 0.00 0.00 0.00 0.00 178.15 178.76 2qhx h ALA 23 N 0.67 0.74 -0.45 1.87 0.00 -0.52 -0.57 119.26 120.99 2qhx h ALA 23 Ca 0.03 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2qhx h ALA 23 Cb 0.53 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2qhx h ALA 23 CO 0.02 0.01 0.05 0.93 0.00 0.00 0.00 179.25 180.26 2qhx h GLU 24 N 0.62 0.76 -0.53 0.00 5.08 -0.60 -1.04 114.58 118.86 2qhx h GLU 24 Ca 0.24 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2qhx h GLU 24 Cb 0.10 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2qhx h GLU 24 CO -0.14 0.80 0.30 0.78 -1.00 0.00 0.00 179.01 179.75 2qhx h GLY 25 N 0.62 0.79 1.07 -3.84 0.00 -0.62 -0.16 103.07 100.92 2qhx h GLY 25 Ca 0.13 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 2qhx h GLY 25 CO 0.01 0.33 -0.17 1.41 0.00 0.00 0.00 176.54 178.12 2qhx h LEU 26 N 0.72 0.95 -1.07 3.11 3.38 -1.03 -2.92 115.31 118.45 2qhx h LEU 26 Ca 0.19 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2qhx h LEU 26 Cb 0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2qhx h LEU 26 CO -0.03 1.12 0.28 -0.74 0.09 0.00 0.00 178.44 179.17 2qhx h HIS 27 N 0.78 0.95 0.00 1.13 2.76 -0.94 -1.47 115.15 118.35 2qhx h HIS 27 Ca 0.11 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2qhx h HIS 27 Cb 0.74 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.41 2qhx h HIS 27 CO 0.05 0.71 0.00 0.00 -1.30 0.00 0.00 177.93 177.39 2qhx h ALA 28 N 1.38 1.00 -0.02 5.26 0.00 -0.84 -1.24 119.26 124.80 2qhx h ALA 28 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2qhx h ALA 28 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2qhx h ALA 28 CO -0.02 0.00 -0.19 0.39 0.00 0.00 0.00 179.25 179.42 2qhx n GLU 29 N -2.64 1.51 0.00 0.00 -0.58 -0.60 -4.94 120.64 113.39 2qhx n GLU 29 Ca 0.00 -1.11 0.00 0.00 -0.42 0.00 0.00 57.16 55.63 2qhx n GLU 29 Cb 0.19 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 2qhx n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qhx n GLY 30 N 1.33 0.75 3.77 0.62 0.00 -0.47 -5.09 105.19 106.10 2qhx n GLY 30 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2qhx n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qhx s TYR 31 N -2.00 2.97 0.28 1.61 1.51 -0.95 -4.58 117.35 116.18 2qhx s TYR 31 Ca 0.00 1.47 -0.26 0.00 -1.01 0.00 0.00 57.07 57.27 2qhx s TYR 31 Cb 0.00 -3.58 -0.09 0.00 -0.11 0.00 0.00 41.96 38.18 2qhx s TYR 31 CO 0.00 -1.76 0.90 0.00 -1.11 0.00 0.00 175.55 173.58 2qhx s ALA 32 N -1.27 3.28 -0.08 3.71 0.00 0.10 -4.31 121.76 123.19 2qhx s ALA 32 Ca 0.55 0.49 0.02 0.00 0.00 0.00 0.00 51.96 53.02 2qhx s ALA 32 Cb -0.36 -3.12 0.01 0.00 0.00 0.00 0.00 23.12 19.65 2qhx s ALA 32 CO 0.46 0.21 -0.14 0.08 0.00 0.00 0.00 175.76 176.38 2qhx s VAL 33 N -1.47 1.27 -0.37 0.00 1.01 0.43 -0.81 120.40 120.48 2qhx s VAL 33 Ca 0.46 -0.54 -0.17 0.00 0.00 0.00 0.00 61.98 61.73 2qhx s VAL 33 Cb -0.20 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.02 2qhx s VAL 33 CO 0.25 0.39 0.44 0.00 0.00 0.00 0.00 175.10 176.18 2qhx s LEU 35 N 2.20 5.16 0.30 0.00 1.43 0.14 -1.93 118.68 125.97 2qhx s LEU 35 Ca 0.14 -1.10 -0.28 0.00 -1.03 0.00 0.00 54.13 51.86 2qhx s LEU 35 Cb -0.16 -2.38 -0.09 0.00 0.03 0.00 0.00 46.19 43.59 2qhx s LEU 35 CO 0.13 -0.92 0.99 -2.28 0.23 0.00 0.00 176.35 174.49 2qhx s HIS 36 N 2.53 3.71 0.08 0.29 5.65 -0.46 -1.61 115.29 125.47 2qhx s HIS 36 Ca 0.13 1.79 -0.04 0.00 0.25 0.00 0.00 55.06 57.19 2qhx s HIS 36 Cb -0.21 -3.04 -0.03 0.00 -1.18 0.00 0.00 32.58 28.13 2qhx s HIS 36 CO 0.10 0.03 0.07 1.52 -0.65 0.00 0.00 174.74 175.81 2qhx s TYR 37 N -1.39 0.42 -0.00 3.88 -0.85 -0.26 -0.74 117.35 118.40 2qhx s TYR 37 Ca 0.47 -0.90 -0.00 0.00 -0.52 0.00 0.00 57.07 56.12 2qhx s TYR 37 Cb -0.24 -0.27 -0.00 0.00 0.38 0.00 0.00 41.96 41.83 2qhx s TYR 37 CO 0.30 -0.46 -0.01 1.58 -1.52 0.00 0.00 175.55 175.44 2qhx n HIS 38 N 0.02 0.00 0.32 -3.49 -0.00 -1.26 -1.61 115.22 109.20 2qhx n HIS 38 Ca -0.13 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.66 2qhx n HIS 38 Cb 0.62 -0.01 -0.10 0.00 -0.00 0.00 0.00 29.99 30.50 2qhx n HIS 38 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2qhx n ARG 39 N -2.55 1.40 -2.29 1.57 1.74 -1.26 -4.74 116.66 110.53 2qhx n ARG 39 Ca -0.00 -0.07 -0.41 0.00 -0.77 0.00 0.00 57.85 56.61 2qhx n ARG 39 Cb 0.01 -1.25 0.01 0.00 -1.02 0.00 0.00 32.46 30.20 2qhx n ARG 39 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2qhx n SER 40 N -1.67 7.72 0.06 0.55 7.64 -1.26 -4.76 113.62 121.90 2qhx n SER 40 Ca -0.00 -3.39 -0.12 0.00 1.01 0.00 0.00 58.87 56.37 2qhx n SER 40 Cb 0.30 -1.27 -0.06 0.00 -1.01 0.00 0.00 64.21 62.16 2qhx n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qhx h ALA 41 N 4.44 -0.08 0.06 -0.43 0.00 -1.96 -1.53 119.26 119.76 2qhx h ALA 41 Ca 0.62 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.56 2qhx h ALA 41 Cb 0.31 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2qhx h ALA 41 CO 1.34 -0.55 -0.35 0.00 0.00 0.00 0.00 179.25 179.69 2qhx h ALA 42 N 0.86 -0.57 -0.57 0.00 0.00 -1.99 0.30 119.26 117.29 2qhx h ALA 42 Ca 0.01 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2qhx h ALA 42 Cb 0.11 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2qhx h ALA 42 CO -0.03 -0.89 0.37 0.93 0.00 0.00 0.00 179.25 179.63 2qhx h GLU 43 N -0.55 0.73 0.11 0.00 3.07 -1.89 0.51 114.58 116.56 2qhx h GLU 43 Ca 0.04 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2qhx h GLU 43 Cb 0.60 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 2qhx h GLU 43 CO -0.25 0.48 -0.05 0.00 -1.40 0.00 0.00 179.01 177.80 2qhx h ALA 44 N 1.22 -0.14 -0.58 3.43 0.00 -1.01 -0.60 119.26 121.57 2qhx h ALA 44 Ca 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2qhx h ALA 44 Cb -0.06 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2qhx h ALA 44 CO -0.06 -0.56 0.27 -0.91 0.00 0.00 0.00 179.25 177.99 2qhx h ASN 45 N -0.18 0.74 -0.49 0.00 2.35 -0.67 -0.00 115.58 117.32 2qhx h ASN 45 Ca -0.01 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 2qhx h ASN 45 Cb 0.15 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 2qhx h ASN 45 CO 0.02 0.64 0.11 0.00 -1.65 0.00 0.00 177.43 176.56 2qhx h ALA 46 N 1.48 0.65 -0.68 -0.83 0.00 -0.72 -0.83 119.26 118.34 2qhx h ALA 46 Ca 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2qhx h ALA 46 Cb 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2qhx h ALA 46 CO -0.03 0.35 0.35 1.25 0.00 0.00 0.00 179.25 181.17 2qhx h LEU 47 N 0.68 0.87 -0.61 0.00 5.85 -0.61 -2.01 115.31 119.47 2qhx h LEU 47 Ca 0.15 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.76 2qhx h LEU 47 Cb 0.34 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2qhx h LEU 47 CO 0.00 0.74 0.40 -1.28 -0.34 0.00 0.00 178.44 177.97 2qhx h SER 48 N 0.94 0.70 -0.05 1.25 0.87 -0.80 -1.85 113.55 114.60 2qhx h SER 48 Ca 0.24 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.81 2qhx h SER 48 Cb 0.08 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.84 2qhx h SER 48 CO -0.03 0.51 -0.12 0.00 -0.53 0.00 0.00 176.83 176.65 2qhx h ALA 49 N 1.22 -0.10 -0.44 6.23 0.00 -0.88 0.47 119.26 125.76 2qhx h ALA 49 Ca 0.22 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.22 2qhx h ALA 49 Cb -0.10 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 2qhx h ALA 49 CO -0.05 -0.60 0.12 1.15 0.00 0.00 0.00 179.25 179.87 2qhx h THR 50 N -0.18 0.81 -0.31 0.00 2.02 -1.11 -0.65 112.91 113.48 2qhx h THR 50 Ca 0.06 -0.09 -0.14 0.00 0.77 0.00 0.00 66.41 67.01 2qhx h THR 50 Cb 0.27 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2qhx h THR 50 CO -0.16 0.05 -0.34 -0.07 0.37 0.00 0.00 175.52 175.37 2qhx h LEU 51 N 0.26 0.84 -1.49 2.58 3.38 -1.05 -2.33 115.31 117.51 2qhx h LEU 51 Ca 0.21 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 2qhx h LEU 51 Cb 0.24 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2qhx h LEU 51 CO -0.25 1.15 -0.13 0.78 0.09 0.00 0.00 178.44 180.08 2qhx h ASN 52 N 0.55 0.16 -0.49 -0.43 2.35 -0.76 -1.70 115.58 115.26 2qhx h ASN 52 Ca 0.05 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 2qhx h ASN 52 Cb 0.92 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.23 2qhx h ASN 52 CO 0.08 0.31 0.03 0.00 -1.65 0.00 0.00 177.43 176.21 2qhx h ALA 53 N 1.71 0.66 -0.48 -0.83 0.00 -0.83 -2.35 119.26 117.14 2qhx h ALA 53 Ca 0.03 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 2qhx h ALA 53 Cb 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2qhx h ALA 53 CO 0.02 0.44 -0.08 0.00 0.00 0.00 0.00 179.25 179.63 2qhx h ARG 54 N 0.71 0.85 -1.75 0.00 3.08 -1.13 -3.42 114.38 112.72 2qhx h ARG 54 Ca 0.14 -0.28 -0.16 0.00 0.07 0.00 0.00 59.98 59.76 2qhx h ARG 54 Cb 0.47 -0.07 -0.29 0.00 0.08 0.00 0.00 29.97 30.16 2qhx h ARG 54 CO 0.02 0.90 -0.50 0.50 -1.07 0.00 0.00 179.97 179.82 2qhx s ARG 55 N -4.86 0.39 0.30 0.04 3.52 -0.67 -5.12 118.95 112.56 2qhx s ARG 55 Ca -0.10 0.36 -0.29 0.00 -0.13 0.00 0.00 55.73 55.57 2qhx s ARG 55 Cb 0.14 -0.34 -0.13 0.00 -1.56 0.00 0.00 34.95 33.06 2qhx s ARG 55 CO 0.83 -0.83 1.25 -2.30 -0.81 0.00 0.00 175.30 173.44 2qhx n PRO 56 N 5.36 1.92 -3.58 5.12 -0.02 -0.89 -2.89 135.00 140.02 2qhx n PRO 56 Ca -0.01 0.67 -0.22 0.00 -2.02 0.00 0.00 63.50 61.92 2qhx n PRO 56 Cb 0.50 -2.23 0.07 0.00 -0.02 0.00 0.00 33.50 31.82 2qhx n PRO 56 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2qhx n ASN 57 N 1.22 -3.88 -0.08 2.55 5.15 -1.26 -4.92 115.26 114.04 2qhx n ASN 57 Ca 0.08 -0.63 0.01 0.00 -0.60 0.00 0.00 54.58 53.43 2qhx n ASN 57 Cb 0.34 -4.82 0.01 0.00 -0.53 0.00 0.00 39.78 34.78 2qhx n ASN 57 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2qhx n SER 58 N -3.05 1.60 -3.71 1.20 3.41 -1.14 -4.97 113.62 106.96 2qhx n SER 58 Ca -0.14 -1.50 -0.13 0.00 -0.26 0.00 0.00 58.87 56.84 2qhx n SER 58 Cb 0.61 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.45 2qhx n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qhx s ALA 59 N -0.54 -1.18 0.13 7.33 0.00 -1.26 -0.42 121.76 125.82 2qhx s ALA 59 Ca 0.03 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.38 2qhx s ALA 59 Cb 0.01 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 2qhx s ALA 59 CO 0.02 -0.23 0.01 0.96 0.00 0.00 0.00 175.76 176.51 2qhx s ILE 60 N 0.45 0.40 -0.02 0.00 -4.36 -0.82 -4.89 121.20 111.95 2qhx s ILE 60 Ca -0.02 -1.92 0.07 0.00 -0.26 0.00 0.00 60.65 58.52 2qhx s ILE 60 Cb -0.04 -1.92 -0.02 0.00 1.25 0.00 0.00 42.46 41.73 2qhx s ILE 60 CO -0.02 -0.62 -0.22 0.42 0.24 0.00 0.00 174.94 174.74 2qhx s THR 61 N -3.84 1.77 -0.02 8.37 -4.23 -1.26 0.23 115.64 116.67 2qhx s THR 61 Ca 0.19 -0.96 0.03 0.00 -1.18 0.00 0.00 61.69 59.78 2qhx s THR 61 Cb 0.07 -1.48 -0.00 0.00 1.34 0.00 0.00 72.50 72.43 2qhx s THR 61 CO -0.01 0.50 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.79 2qhx s VAL 62 N -0.49 0.82 -0.15 2.29 1.01 -0.63 -4.92 120.40 118.34 2qhx s VAL 62 Ca 0.08 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 2qhx s VAL 62 Cb -0.09 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 2qhx s VAL 62 CO -0.01 0.24 0.16 -1.58 0.00 0.00 0.00 175.10 173.91 2qhx s GLN 63 N -0.05 3.77 -0.28 2.72 -0.44 -1.26 -1.11 119.66 123.01 2qhx s GLN 63 Ca 0.01 -0.13 -0.21 0.00 -2.50 0.00 0.00 55.36 52.53 2qhx s GLN 63 Cb -0.06 -3.28 0.10 0.00 -1.64 0.00 0.00 33.01 28.12 2qhx s GLN 63 CO 0.00 0.58 0.83 0.00 0.50 0.00 0.00 175.29 177.20 2qhx s ALA 64 N -0.46 -1.95 -0.30 1.58 0.00 -0.63 -4.96 121.76 115.04 2qhx s ALA 64 Ca 0.13 2.14 -0.26 0.00 0.00 0.00 0.00 51.96 53.97 2qhx s ALA 64 Cb -0.12 -1.41 0.01 0.00 0.00 0.00 0.00 23.12 21.59 2qhx s ALA 64 CO 0.02 -0.33 0.91 0.34 0.00 0.00 0.00 175.76 176.71 2qhx s ASP 65 N 0.89 6.81 0.00 0.00 2.15 -1.26 -4.28 116.67 120.98 2qhx s ASP 65 Ca -0.04 0.89 0.20 0.00 0.43 0.00 0.00 52.55 54.04 2qhx s ASP 65 Cb -0.05 -2.47 0.54 0.00 -0.30 0.00 0.00 42.92 40.65 2qhx s ASP 65 CO -0.10 -0.70 1.46 0.18 -0.17 0.00 0.00 175.17 175.84 2qhx n LEU 66 N 6.42 3.26 -4.76 -1.34 4.77 -1.26 -4.92 117.00 119.16 2qhx n LEU 66 Ca 0.07 -1.58 -0.36 0.00 -0.03 0.00 0.00 56.01 54.12 2qhx n LEU 66 Cb 0.47 -0.37 0.02 0.00 -2.33 0.00 0.00 43.42 41.21 2qhx n LEU 66 CO 0.53 0.79 0.82 -0.55 -1.33 0.00 0.00 177.39 177.65 2qhx s SER 67 N -1.13 5.53 -1.29 -1.43 0.15 -1.26 -2.59 113.70 111.68 2qhx s SER 67 Ca 0.41 2.31 -0.08 0.00 0.70 0.00 0.00 55.95 59.28 2qhx s SER 67 Cb 0.22 -2.59 -0.07 0.00 -1.71 0.00 0.00 66.02 61.86 2qhx s SER 67 CO 0.29 -1.36 2.55 -3.20 1.20 0.00 0.00 173.24 172.73 2qhx n ASN 68 N -1.31 6.88 -4.15 5.45 5.15 0.52 -4.78 115.26 123.02 2qhx n ASN 68 Ca 0.12 -2.46 -0.13 0.00 -0.60 0.00 0.00 54.58 51.50 2qhx n ASN 68 Cb 0.50 -1.35 -0.11 0.00 -0.53 0.00 0.00 39.78 38.29 2qhx n ASN 68 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2qhx s VAL 69 N 2.79 0.80 0.31 3.44 -7.23 -1.26 -4.88 120.40 114.36 2qhx s VAL 69 Ca 0.56 -1.57 -0.28 0.00 -1.81 0.00 0.00 61.98 58.87 2qhx s VAL 69 Cb 0.14 -1.26 -0.09 0.00 0.56 0.00 0.00 36.38 35.73 2qhx s VAL 69 CO -0.05 -0.58 1.06 0.00 -0.31 0.00 0.00 175.10 175.22 2qhx s ALA 70 N -2.44 3.31 0.39 1.32 0.00 -1.26 -3.69 121.76 119.39 2qhx s ALA 70 Ca 0.03 0.80 0.08 0.00 0.00 0.00 0.00 51.96 52.87 2qhx s ALA 70 Cb -0.03 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 2qhx s ALA 70 CO -0.01 -0.11 0.13 0.95 0.00 0.00 0.00 175.76 176.72 2qhx s THR 71 N -1.31 2.40 0.27 0.00 -4.23 0.16 -4.88 115.64 108.05 2qhx s THR 71 Ca 0.48 -1.77 -0.29 0.00 -1.18 0.00 0.00 61.69 58.92 2qhx s THR 71 Cb -0.28 -2.96 -0.09 0.00 1.34 0.00 0.00 72.50 70.50 2qhx s THR 71 CO 0.36 -0.05 1.11 0.00 -0.54 0.00 0.00 174.62 175.50 2qhx s ALA 72 N -2.58 3.41 0.00 3.99 0.00 -1.26 0.15 121.76 125.47 2qhx s ALA 72 Ca 0.39 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.26 2qhx s ALA 72 Cb 0.03 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2qhx s ALA 72 CO 0.22 -0.19 0.00 -0.35 0.00 0.00 0.00 175.76 175.44 2qhx n PRO 73 N 1.30 0.00 0.00 0.00 -0.04 -1.26 -4.72 135.00 130.28 2qhx n PRO 73 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2qhx n PRO 73 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 2qhx n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qhx n ALA 81 N -3.00 -0.09 -1.69 0.55 0.00 -1.26 -5.08 120.51 109.95 2qhx n ALA 81 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 2qhx n ALA 81 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2qhx n ALA 81 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2qhx s PRO 82 N 0.00 3.28 -0.23 0.00 0.02 -1.26 -5.01 135.00 131.79 2qhx s PRO 82 Ca 0.00 1.43 -0.15 0.00 0.02 0.00 0.00 61.00 62.30 2qhx s PRO 82 Cb 0.00 -2.01 -0.04 0.00 0.02 0.00 0.00 34.50 32.47 2qhx s PRO 82 CO 0.00 -0.88 0.35 0.08 -0.33 0.00 0.00 177.00 176.23 2qhx s VAL 83 N -2.10 5.21 0.69 3.83 1.01 0.12 -4.86 120.40 124.31 2qhx s VAL 83 Ca 0.68 0.57 -0.11 0.00 0.00 0.00 0.00 61.98 63.13 2qhx s VAL 83 Cb -0.20 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.50 2qhx s VAL 83 CO 0.32 0.23 1.07 0.42 0.00 0.00 0.00 175.10 177.14 2qhx s THR 84 N 1.56 3.84 0.22 3.92 -4.23 -1.26 0.37 115.64 120.07 2qhx s THR 84 Ca 0.16 0.60 -0.08 0.00 -1.18 0.00 0.00 61.69 61.19 2qhx s THR 84 Cb -0.15 -3.53 0.18 0.00 1.34 0.00 0.00 72.50 70.34 2qhx s THR 84 CO 0.08 -0.78 1.86 0.25 -0.54 0.00 0.00 174.62 175.48 2qhx h LEU 85 N -0.62 0.80 -0.06 4.79 5.85 -1.87 -2.08 115.31 122.12 2qhx h LEU 85 Ca -0.45 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.30 2qhx h LEU 85 Cb 1.23 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 2qhx h LEU 85 CO 0.62 0.54 -0.11 0.15 -0.34 0.00 0.00 178.44 179.30 2qhx h PHE 86 N 0.94 -0.28 -0.43 1.25 3.57 -1.93 0.33 116.94 120.40 2qhx h PHE 86 Ca 0.32 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.91 2qhx h PHE 86 Cb 0.06 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.88 2qhx h PHE 86 CO -0.04 -0.17 0.07 1.15 -2.23 0.00 0.00 178.31 177.10 2qhx h THR 87 N -0.16 0.76 -0.75 4.41 2.02 -1.90 0.25 112.91 117.55 2qhx h THR 87 Ca 0.06 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.19 2qhx h THR 87 Cb 0.24 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 2qhx h THR 87 CO -0.15 0.04 0.50 0.03 0.37 0.00 0.00 175.52 176.30 2qhx h ARG 88 N 0.20 0.94 -0.37 6.66 3.08 -0.84 -1.27 114.38 122.78 2qhx h ARG 88 Ca 0.21 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 60.07 2qhx h ARG 88 Cb 0.26 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2qhx h ARG 88 CO -0.28 0.62 -0.28 0.00 -1.07 0.00 0.00 179.97 178.96 2qhx h ALA 90 N 0.78 1.29 -0.03 0.00 0.00 -0.42 -2.53 119.26 118.36 2qhx h ALA 90 Ca 0.07 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2qhx h ALA 90 Cb 0.85 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2qhx h ALA 90 CO 0.07 0.55 -0.41 0.93 0.00 0.00 0.00 179.25 180.39 2qhx h GLU 91 N 0.96 0.07 -0.24 0.00 5.08 -1.19 0.43 114.58 119.68 2qhx h GLU 91 Ca 0.23 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2qhx h GLU 91 Cb 0.11 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2qhx h GLU 91 CO -0.03 0.47 0.12 -0.07 -1.00 0.00 0.00 179.01 178.50 2qhx h LEU 92 N 0.06 0.31 -0.31 1.33 3.38 -1.18 0.45 115.31 119.35 2qhx h LEU 92 Ca 0.00 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 2qhx h LEU 92 Cb 0.75 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2qhx h LEU 92 CO 0.06 0.34 -0.09 0.58 0.09 0.00 0.00 178.44 179.42 2qhx h VAL 93 N 0.26 1.28 -0.98 1.22 2.07 -1.34 -3.03 116.25 115.73 2qhx h VAL 93 Ca 0.08 -1.14 0.11 0.00 0.82 0.00 0.00 66.70 66.58 2qhx h VAL 93 Cb 0.11 1.39 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 2qhx h VAL 93 CO -0.01 0.37 0.63 0.00 0.02 0.00 0.00 177.57 178.57 2qhx h ALA 94 N 0.79 1.54 -0.64 1.67 0.00 -0.79 -1.84 119.26 119.99 2qhx h ALA 94 Ca 0.08 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2qhx h ALA 94 Cb 0.58 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2qhx h ALA 94 CO 0.03 0.23 0.42 0.00 0.00 0.00 0.00 179.25 179.94 2qhx h ALA 95 N 1.53 1.83 -0.35 0.00 0.00 -0.78 0.26 119.26 121.76 2qhx h ALA 95 Ca 0.48 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.28 2qhx h ALA 95 Cb 0.45 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2qhx h ALA 95 CO -0.24 0.06 -0.13 0.00 0.00 0.00 0.00 179.25 178.94 2qhx h TYR 97 N 0.49 0.75 -0.69 0.00 -1.99 -1.10 -0.13 116.97 114.31 2qhx h TYR 97 Ca 0.08 -0.20 0.02 0.00 2.00 0.00 0.00 58.73 60.63 2qhx h TYR 97 Cb 0.66 -0.17 -0.04 0.00 2.00 0.00 0.00 36.73 39.18 2qhx h TYR 97 CO 0.06 0.91 0.44 1.15 -0.00 0.00 0.00 178.16 180.71 2qhx h THR 98 N 0.38 1.12 0.17 -2.88 2.02 -0.57 0.16 112.91 113.31 2qhx h THR 98 Ca 0.06 -0.30 -0.32 0.00 0.77 0.00 0.00 66.41 66.62 2qhx h THR 98 Cb 0.74 0.17 0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2qhx h THR 98 CO 0.05 0.16 -1.52 -0.74 0.37 0.00 0.00 175.52 173.85 2qhx h HIS 99 N 0.87 0.65 0.00 3.16 -0.00 -1.33 -3.41 115.15 115.10 2qhx h HIS 99 Ca 0.27 -0.47 0.00 0.00 -0.00 0.00 0.00 60.37 60.16 2qhx h HIS 99 Cb -0.03 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.36 2qhx h HIS 99 CO -0.04 1.47 0.00 0.91 -0.00 0.00 0.00 177.93 180.28 2qhx n TRP 100 N -3.56 0.00 -0.99 5.26 8.01 -0.07 -5.03 117.44 121.06 2qhx n TRP 100 Ca -0.17 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.02 2qhx n TRP 100 Cb 1.06 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.36 2qhx n TRP 100 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2qhx n GLY 101 N 0.22 0.41 3.53 6.99 0.00 0.55 -4.97 105.19 111.93 2qhx n GLY 101 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2qhx n GLY 101 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qhx s ARG 102 N -0.45 1.28 -0.23 1.61 1.70 -1.25 -4.89 118.95 116.71 2qhx s ARG 102 Ca 0.00 -0.54 -0.03 0.00 -0.47 0.00 0.00 55.73 54.69 2qhx s ARG 102 Cb 0.00 0.54 0.12 0.00 -0.57 0.00 0.00 34.95 35.04 2qhx s ARG 102 CO 0.00 -0.57 0.32 0.00 -1.08 0.00 0.00 175.30 173.98 2qhx n ASP 104 N 5.35 0.71 -4.08 0.00 8.00 0.65 -4.95 116.55 122.23 2qhx n ASP 104 Ca -0.04 -0.05 -0.23 0.00 0.71 0.00 0.00 54.79 55.18 2qhx n ASP 104 Cb 0.50 0.51 -0.16 0.00 -0.02 0.00 0.00 41.12 41.95 2qhx n ASP 104 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qhx s VAL 105 N -2.50 1.12 -0.11 2.53 1.01 -0.60 -1.65 120.40 120.21 2qhx s VAL 105 Ca -0.19 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.26 2qhx s VAL 105 Cb 0.07 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.49 2qhx s VAL 105 CO 0.75 0.33 -0.18 -0.22 0.00 0.00 0.00 175.10 175.78 2qhx s LEU 106 N 0.01 1.85 -0.30 3.92 2.96 -0.60 -0.22 118.68 126.29 2qhx s LEU 106 Ca -0.01 -0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 53.42 2qhx s LEU 106 Cb -0.09 -1.19 0.06 0.00 0.50 0.00 0.00 46.19 45.47 2qhx s LEU 106 CO 0.01 0.05 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.40 2qhx s VAL 107 N 0.82 2.79 -0.92 1.68 1.01 0.38 -0.32 120.40 125.84 2qhx s VAL 107 Ca -0.09 -1.56 -0.24 0.00 0.00 0.00 0.00 61.98 60.09 2qhx s VAL 107 Cb -0.16 -2.67 0.05 0.00 0.00 0.00 0.00 36.38 33.61 2qhx s VAL 107 CO 0.00 -0.17 1.36 0.20 0.00 0.00 0.00 175.10 176.49 2qhx s ASN 108 N 1.25 6.41 -0.09 3.32 0.01 0.46 -2.07 114.94 124.22 2qhx s ASN 108 Ca -0.04 -1.21 0.03 0.00 -0.71 0.00 0.00 52.86 50.93 2qhx s ASN 108 Cb -0.20 -2.55 -0.08 0.00 0.41 0.00 0.00 41.25 38.84 2qhx s ASN 108 CO -0.03 -1.56 -0.04 -3.20 -1.51 0.00 0.00 177.10 170.76 2qhx n ASN 109 N 8.80 3.20 -4.67 -1.22 5.15 -1.25 -0.62 115.26 124.65 2qhx n ASN 109 Ca 0.23 -0.03 -0.45 0.00 -0.60 0.00 0.00 54.58 53.73 2qhx n ASN 109 Cb 0.50 0.17 -0.03 0.00 -0.53 0.00 0.00 39.78 39.89 2qhx n ASN 109 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qhx n ALA 110 N -2.59 1.17 -3.59 5.20 0.00 -0.93 -4.88 120.51 114.89 2qhx n ALA 110 Ca -0.15 0.41 -0.02 0.00 0.00 0.00 0.00 53.44 53.68 2qhx n ALA 110 Cb 0.71 -2.28 -0.05 0.00 0.00 0.00 0.00 19.45 17.82 2qhx n ALA 110 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qhx s SER 111 N 0.33 -0.80 0.40 0.00 0.15 -1.26 -4.39 113.70 108.13 2qhx s SER 111 Ca 0.69 1.19 -0.11 0.00 0.70 0.00 0.00 55.95 58.41 2qhx s SER 111 Cb -0.65 1.66 -0.07 0.00 -1.71 0.00 0.00 66.02 65.26 2qhx s SER 111 CO 0.49 -0.18 0.78 -0.94 1.20 0.00 0.00 173.24 174.59 2qhx s SER 112 N 2.10 6.54 -0.29 5.45 1.04 -1.26 -5.04 113.70 122.24 2qhx s SER 112 Ca -0.07 1.16 0.02 0.00 0.48 0.00 0.00 55.95 57.54 2qhx s SER 112 Cb -0.07 -2.33 0.18 0.00 0.10 0.00 0.00 66.02 63.90 2qhx s SER 112 CO -0.18 -0.39 0.54 0.12 0.98 0.00 0.00 173.24 174.30 2qhx s PHE 113 N -2.36 -1.50 0.13 5.02 5.36 -1.26 -4.87 117.98 118.50 2qhx s PHE 113 Ca 0.52 1.16 -0.24 0.00 -0.96 0.00 0.00 56.93 57.40 2qhx s PHE 113 Cb -0.10 0.29 0.07 0.00 -0.34 0.00 0.00 43.02 42.94 2qhx s PHE 113 CO 0.30 -0.95 0.72 1.52 -1.46 0.00 0.00 175.22 175.35 2qhx s TYR 114 N 2.76 -0.41 0.34 10.12 -0.85 -1.26 -5.15 117.35 122.89 2qhx s TYR 114 Ca 0.14 0.19 -0.29 0.00 -0.52 0.00 0.00 57.07 56.59 2qhx s TYR 114 Cb -0.13 0.58 -0.11 0.00 0.38 0.00 0.00 41.96 42.68 2qhx s TYR 114 CO -0.24 -0.82 1.54 -2.14 -1.52 0.00 0.00 175.55 172.38 2qhx s PRO 115 N -3.57 4.10 -0.56 -3.49 0.02 -1.26 -4.79 135.00 125.45 2qhx s PRO 115 Ca 0.04 2.60 0.05 0.00 0.02 0.00 0.00 61.00 63.70 2qhx s PRO 115 Cb -0.02 -2.98 0.17 0.00 0.02 0.00 0.00 34.50 31.69 2qhx s PRO 115 CO -0.08 -0.59 0.43 0.25 -0.33 0.00 0.00 177.00 176.67 2qhx n THR 116 N 1.16 0.25 -2.04 0.99 -2.24 0.98 -4.98 114.28 108.40 2qhx n THR 116 Ca 0.04 -4.18 -0.38 0.00 -2.27 0.00 0.00 64.05 57.27 2qhx n THR 116 Cb 0.38 -1.93 0.01 0.00 -2.10 0.00 0.00 70.33 66.70 2qhx n THR 116 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 2qhx s PRO 117 N -0.78 3.53 0.19 -0.78 0.02 -1.19 -4.10 135.00 131.88 2qhx s PRO 117 Ca 0.29 2.01 0.14 0.00 0.02 0.00 0.00 61.00 63.46 2qhx s PRO 117 Cb 0.01 -2.39 -0.04 0.00 0.02 0.00 0.00 34.50 32.10 2qhx s PRO 117 CO -0.18 -0.81 1.24 -0.07 -0.33 0.00 0.00 177.00 176.86 2qhx h LEU 118 N 1.88 0.00 -8.65 -5.54 3.38 -2.01 -3.46 115.31 100.91 2qhx h LEU 118 Ca -0.50 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 56.78 2qhx h LEU 118 Cb 1.27 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.73 2qhx h LEU 118 CO 0.59 0.62 -0.85 -0.76 0.09 0.00 0.00 178.44 178.13 2qhx s LEU 119 N -6.32 2.28 1.08 1.67 1.43 -1.26 -5.24 118.68 112.31 2qhx s LEU 119 Ca 0.02 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.59 2qhx s LEU 119 Cb 0.08 -1.42 0.24 0.00 0.03 0.00 0.00 46.19 45.12 2qhx s LEU 119 CO 0.78 0.29 1.06 0.00 0.23 0.00 0.00 176.35 178.71 2qhx s ARG 120 N -0.44 -0.29 -0.10 1.70 1.70 -1.26 -5.16 118.95 115.09 2qhx s ARG 120 Ca 0.05 0.98 -0.02 0.00 -0.47 0.00 0.00 55.73 56.27 2qhx s ARG 120 Cb -0.12 -1.62 0.00 0.00 -0.57 0.00 0.00 34.95 32.65 2qhx s ARG 120 CO 0.01 -3.34 0.07 -0.40 -1.08 0.00 0.00 175.30 170.55 2qhx n ASP 132 N -4.67 -3.76 0.05 -2.89 5.68 -1.26 -5.22 116.55 104.48 2qhx n ASP 132 Ca 0.05 0.32 -0.21 0.00 -0.50 0.00 0.00 54.79 54.46 2qhx n ASP 132 Cb 0.54 -2.28 -0.14 0.00 -1.14 0.00 0.00 41.12 38.09 2qhx n ASP 132 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 2qhx h ARG 133 N 0.78 0.31 -0.73 0.11 2.43 -2.07 -3.32 114.38 111.89 2qhx h ARG 133 Ca 0.00 -0.53 0.01 0.00 -0.81 0.00 0.00 59.98 58.64 2qhx h ARG 133 Cb 0.11 0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 2qhx h ARG 133 CO 0.04 1.21 0.48 0.93 -1.51 0.00 0.00 179.97 181.12 2qhx h GLU 134 N 0.09 0.96 -0.89 0.20 4.39 -2.06 -2.67 114.58 114.60 2qhx h GLU 134 Ca -0.35 -0.06 0.24 0.00 0.34 0.00 0.00 59.36 59.53 2qhx h GLU 134 Cb 2.06 -0.22 -0.15 0.00 -0.10 0.00 0.00 28.75 30.35 2qhx h GLU 134 CO 0.15 0.64 0.17 0.00 -1.16 0.00 0.00 179.01 178.80 2qhx h ALA 135 N 1.54 1.21 -0.00 3.43 0.00 -2.01 -2.57 119.26 120.85 2qhx h ALA 135 Ca 0.27 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2qhx h ALA 135 Cb -0.10 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2qhx h ALA 135 CO -0.06 -0.50 -0.06 0.00 0.00 0.00 0.00 179.25 178.64 2qhx n MET 136 N -5.30 0.91 -0.02 0.00 0.00 -1.01 -2.19 117.12 109.52 2qhx n MET 136 Ca 0.21 -0.28 -0.04 0.00 0.00 0.00 0.00 57.70 57.60 2qhx n MET 136 Cb 0.69 -1.49 -0.02 0.00 0.00 0.00 0.00 33.22 32.40 2qhx n MET 136 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2qhx n GLU 137 N -0.80 0.09 -0.12 3.17 4.07 -0.99 -2.61 120.64 123.45 2qhx n GLU 137 Ca 0.18 0.03 0.02 0.00 -0.06 0.00 0.00 57.16 57.33 2qhx n GLU 137 Cb 0.25 -0.86 0.32 0.00 -0.06 0.00 0.00 31.44 31.08 2qhx n GLU 137 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 2qhx h THR 138 N -0.08 1.16 -0.23 6.31 1.35 -1.60 -2.50 112.91 117.32 2qhx h THR 138 Ca -0.10 -0.30 -0.01 0.00 -0.55 0.00 0.00 66.41 65.45 2qhx h THR 138 Cb 1.12 0.29 -0.01 0.00 -1.73 0.00 0.00 68.15 67.82 2qhx h THR 138 CO -0.04 0.16 0.12 0.00 -0.25 0.00 0.00 175.52 175.50 2qhx h ALA 139 N 1.61 0.29 -0.03 6.62 0.00 -1.56 0.57 119.26 126.77 2qhx h ALA 139 Ca 0.22 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2qhx h ALA 139 Cb -0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2qhx h ALA 139 CO -0.05 -0.16 -0.08 1.15 0.00 0.00 0.00 179.25 180.11 2qhx h THR 140 N 0.24 0.78 -0.21 0.00 2.02 -1.44 -0.28 112.91 114.03 2qhx h THR 140 Ca 0.08 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.17 2qhx h THR 140 Cb 0.10 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2qhx h THR 140 CO -0.01 0.00 -0.27 0.00 0.37 0.00 0.00 175.52 175.61 2qhx h ALA 141 N 0.89 1.16 0.07 6.16 0.00 -1.37 -0.71 119.26 125.46 2qhx h ALA 141 Ca 0.04 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2qhx h ALA 141 Cb 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qhx h ALA 141 CO -0.11 0.54 -0.04 0.22 0.00 0.00 0.00 179.25 179.86 2qhx h ASP 142 N 0.35 -0.08 -0.18 0.00 3.58 -0.70 0.18 116.42 119.57 2qhx h ASP 142 Ca 0.05 -0.50 -0.04 0.00 0.42 0.00 0.00 57.03 56.96 2qhx h ASP 142 Cb 0.65 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.72 2qhx h ASP 142 CO 0.05 0.51 -0.06 -0.07 -2.88 0.00 0.00 179.24 176.79 2qhx h LEU 143 N -0.73 0.35 -0.52 2.28 3.38 -1.08 -2.37 115.31 116.63 2qhx h LEU 143 Ca -0.01 -0.38 -0.16 0.00 0.09 0.00 0.00 57.88 57.42 2qhx h LEU 143 Cb 0.58 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2qhx h LEU 143 CO 0.02 0.66 -0.49 -0.26 0.09 0.00 0.00 178.44 178.45 2qhx h PHE 144 N 0.05 0.78 0.68 1.13 0.04 -1.27 -2.76 116.94 115.59 2qhx h PHE 144 Ca 0.04 -0.26 -0.03 0.00 2.80 0.00 0.00 57.97 60.52 2qhx h PHE 144 Cb 0.51 -0.15 0.01 0.00 2.20 0.00 0.00 35.95 38.51 2qhx h PHE 144 CO 0.06 1.00 -0.33 0.78 -0.60 0.00 0.00 178.31 179.22 2qhx h GLY 145 N 0.99 -0.95 1.00 -1.45 0.00 -1.31 -0.13 103.07 101.21 2qhx h GLY 145 Ca 0.02 0.35 -0.07 0.00 0.00 0.00 0.00 47.33 47.64 2qhx h GLY 145 CO 0.10 -0.35 0.06 1.48 0.00 0.00 0.00 176.54 177.83 2qhx h SER 146 N -1.02 0.83 1.52 0.19 4.64 -1.16 0.39 113.55 118.95 2qhx h SER 146 Ca -0.09 -0.27 -0.04 0.00 -0.47 0.00 0.00 61.79 60.91 2qhx h SER 146 Cb 0.73 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 2qhx h SER 146 CO 0.15 0.89 -0.49 0.78 -0.87 0.00 0.00 176.83 177.29 2qhx h ASN 147 N 0.73 0.00 0.00 4.97 2.35 -1.57 -3.41 115.58 118.66 2qhx h ASN 147 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2qhx h ASN 147 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2qhx h ASN 147 CO 0.01 0.18 -0.00 0.00 -1.65 0.00 0.00 177.43 175.97 2qhx n ALA 148 N -2.18 3.00 -0.03 -0.83 0.00 -0.63 -4.49 120.51 115.34 2qhx n ALA 148 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 2qhx n ALA 148 Cb 0.62 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 20.01 2qhx n ALA 148 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qhx h ILE 149 N 0.00 1.29 -0.13 0.00 1.08 -0.88 -2.12 117.51 116.75 2qhx h ILE 149 Ca 0.00 -0.94 0.01 0.00 -0.39 0.00 0.00 64.86 63.54 2qhx h ILE 149 Cb 0.00 1.71 -0.01 0.00 -3.07 0.00 0.00 36.82 35.46 2qhx h ILE 149 CO 0.00 0.27 0.06 0.00 -0.69 0.00 0.00 178.15 177.78 2qhx h ALA 150 N 0.69 0.15 -0.90 1.87 0.00 -0.45 -1.86 119.26 118.76 2qhx h ALA 150 Ca 0.03 0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.13 2qhx h ALA 150 Cb 0.43 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.09 2qhx h ALA 150 CO 0.01 -0.39 0.45 -1.35 0.00 0.00 0.00 179.25 177.97 2qhx h PRO 151 N 0.13 0.52 0.42 0.00 0.11 -1.74 0.32 132.00 131.75 2qhx h PRO 151 Ca 0.05 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2qhx h PRO 151 Cb 0.02 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 2qhx h PRO 151 CO -0.04 0.34 -0.31 -0.92 -0.21 0.00 0.00 178.00 176.86 2qhx h TYR 152 N 0.53 -0.82 -0.99 0.65 3.20 -0.85 0.18 116.97 118.88 2qhx h TYR 152 Ca 0.53 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.41 2qhx h TYR 152 Cb 0.91 0.31 -0.05 0.00 1.54 0.00 0.00 36.73 39.44 2qhx h TYR 152 CO -0.10 -0.46 0.63 0.74 -1.64 0.00 0.00 178.16 177.34 2qhx h PHE 153 N -0.72 1.26 -0.42 -3.82 0.04 -0.68 0.59 116.94 113.19 2qhx h PHE 153 Ca -0.04 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 2qhx h PHE 153 Cb 0.61 -0.42 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 2qhx h PHE 153 CO -0.14 0.81 0.21 -0.07 -0.60 0.00 0.00 178.31 178.52 2qhx h LEU 154 N 1.35 0.55 -0.37 1.54 3.38 -0.21 0.07 115.31 121.62 2qhx h LEU 154 Ca 0.36 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2qhx h LEU 154 Cb -0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2qhx h LEU 154 CO -0.07 0.52 0.19 0.40 0.09 0.00 0.00 178.44 179.57 2qhx h ILE 155 N 0.54 1.16 -0.08 1.22 2.04 -0.02 0.45 117.51 122.82 2qhx h ILE 155 Ca 0.15 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.60 2qhx h ILE 155 Cb 0.11 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 2qhx h ILE 155 CO -0.02 0.17 -0.17 0.50 0.00 0.00 0.00 178.15 178.63 2qhx h LYS 156 N 0.47 -0.23 -0.27 2.37 3.64 -0.61 0.21 116.57 122.16 2qhx h LYS 156 Ca 0.13 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 2qhx h LYS 156 Cb 0.10 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 2qhx h LYS 156 CO -0.02 -0.15 0.12 0.00 -2.27 0.00 0.00 179.45 177.13 2qhx h ALA 157 N 0.76 0.32 -0.33 5.00 0.00 -0.86 0.30 119.26 124.46 2qhx h ALA 157 Ca 0.08 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2qhx h ALA 157 Cb 0.35 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 2qhx h ALA 157 CO -0.22 -0.28 -0.02 0.35 0.00 0.00 0.00 179.25 179.07 2qhx h PHE 158 N 0.26 -0.06 -0.38 0.00 3.04 -0.41 -1.55 116.94 117.84 2qhx h PHE 158 Ca 0.12 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.05 2qhx h PHE 158 Cb 0.06 0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.63 2qhx h PHE 158 CO -0.11 -0.09 0.08 0.00 -2.02 0.00 0.00 178.31 176.18 2qhx h ALA 159 N 1.30 0.50 -0.77 2.41 0.00 -0.32 -2.74 119.26 119.66 2qhx h ALA 159 Ca 0.16 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.97 2qhx h ALA 159 Cb 0.23 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 2qhx h ALA 159 CO -0.29 0.19 0.41 0.45 0.00 0.00 0.00 179.25 180.01 2qhx h HIS 160 N 0.47 0.75 -0.44 0.00 3.86 -0.60 0.36 115.15 119.55 2qhx h HIS 160 Ca 0.12 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.27 2qhx h HIS 160 Cb 0.32 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 2qhx h HIS 160 CO 0.02 0.29 -0.09 0.00 0.86 0.00 0.00 177.93 179.01 2qhx h ARG 161 N 0.70 0.79 -0.29 2.45 2.47 -1.15 -0.29 114.38 119.06 2qhx h ARG 161 Ca 0.37 -0.26 -0.08 0.00 -1.26 0.00 0.00 59.98 58.75 2qhx h ARG 161 Cb 0.36 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 2qhx h ARG 161 CO -0.25 0.86 -0.14 0.28 0.56 0.00 0.00 179.97 181.28 2qhx h VAL 162 N 0.72 1.29 -0.82 2.04 2.07 -1.08 -2.44 116.25 118.03 2qhx h VAL 162 Ca 0.12 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 2qhx h VAL 162 Cb 0.57 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 2qhx h VAL 162 CO 0.04 0.39 0.40 0.00 0.02 0.00 0.00 177.57 178.42 2qhx h ALA 163 N 0.75 1.15 0.00 1.67 0.00 -0.77 -2.50 119.26 119.57 2qhx h ALA 163 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2qhx h ALA 163 Cb 0.66 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2qhx h ALA 163 CO 0.04 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.35 2qhx n GLY 164 N -1.04 -1.41 3.72 0.00 0.00 -0.14 -4.70 105.19 101.64 2qhx n GLY 164 Ca 0.08 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2qhx n GLY 164 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qhx s THR 165 N -3.22 4.85 0.34 2.61 2.01 -0.93 -5.03 115.64 116.27 2qhx s THR 165 Ca 0.07 1.74 -0.29 0.00 0.31 0.00 0.00 61.69 63.52 2qhx s THR 165 Cb 0.11 -4.17 -0.11 0.00 0.01 0.00 0.00 72.50 68.33 2qhx s THR 165 CO 0.46 0.26 1.54 -2.65 -0.69 0.00 0.00 174.62 173.54 2qhx n PRO 166 N 3.43 2.71 -0.30 4.92 -0.02 -1.26 -4.84 135.00 139.64 2qhx n PRO 166 Ca 0.01 0.96 0.14 0.00 -2.02 0.00 0.00 63.50 62.58 2qhx n PRO 166 Cb 0.51 -2.71 0.31 0.00 -0.02 0.00 0.00 33.50 31.58 2qhx n PRO 166 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qhx h ALA 167 N 3.79 1.39 0.00 3.55 0.00 -1.93 0.16 119.26 126.22 2qhx h ALA 167 Ca -0.49 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2qhx h ALA 167 Cb 1.23 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2qhx h ALA 167 CO 0.71 -0.42 0.00 0.87 0.00 0.00 0.00 179.25 180.41 2qhx h LYS 168 N 0.30 0.00 -0.02 0.00 1.79 -2.02 -2.70 116.57 113.92 2qhx h LYS 168 Ca 0.57 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.04 2qhx h LYS 168 Cb 1.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 2qhx h LYS 168 CO -0.59 0.00 -0.09 0.72 -1.08 0.00 0.00 179.45 178.41 2qhx n HIS 169 N -2.61 0.00 -2.02 -1.35 8.25 0.54 -5.02 115.22 113.02 2qhx n HIS 169 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.13 2qhx n HIS 169 Cb 0.20 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.32 2qhx n HIS 169 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2qhx s ARG 170 N -1.58 3.19 1.01 -0.41 0.52 -1.02 -4.97 118.95 115.69 2qhx s ARG 170 Ca 0.19 1.33 -0.12 0.00 -0.52 0.00 0.00 55.73 56.61 2qhx s ARG 170 Cb 0.14 -2.01 0.20 0.00 0.52 0.00 0.00 34.95 33.80 2qhx s ARG 170 CO 0.27 -0.94 1.09 0.20 0.02 0.00 0.00 175.30 175.95 2qhx s GLY 171 N -2.52 1.56 0.00 -3.53 0.00 -1.26 -5.00 107.32 96.57 2qhx s GLY 171 Ca 0.66 -0.39 0.11 0.00 0.00 0.00 0.00 44.72 45.10 2qhx s GLY 171 CO 0.36 0.24 1.01 -1.30 0.00 0.00 0.00 173.10 173.41 2qhx n THR 172 N -4.22 0.39 -2.97 0.90 -2.24 -1.26 -4.75 114.28 100.14 2qhx n THR 172 Ca 0.05 -0.70 -0.15 0.00 -2.27 0.00 0.00 64.05 60.99 2qhx n THR 172 Cb 0.57 0.95 0.01 0.00 -2.10 0.00 0.00 70.33 69.77 2qhx n THR 172 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2qhx n ASN 173 N 0.59 -0.95 -4.70 3.42 5.15 -1.26 -5.09 115.26 112.42 2qhx n ASN 173 Ca 0.09 -3.22 -0.42 0.00 -0.60 0.00 0.00 54.58 50.42 2qhx n ASN 173 Cb 0.34 0.61 -0.03 0.00 -0.53 0.00 0.00 39.78 40.18 2qhx n ASN 173 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2qhx s TYR 174 N -0.80 3.52 -0.08 1.20 2.02 -1.26 -4.77 117.35 117.18 2qhx s TYR 174 Ca 0.32 1.53 -0.04 0.00 -0.37 0.00 0.00 57.07 58.52 2qhx s TYR 174 Cb 0.28 -3.23 0.04 0.00 -0.40 0.00 0.00 41.96 38.65 2qhx s TYR 174 CO -0.11 -0.48 0.19 0.45 -1.57 0.00 0.00 175.55 174.03 2qhx s SER 175 N 1.10 -0.06 -0.17 2.29 0.15 -0.66 -2.07 113.70 114.28 2qhx s SER 175 Ca 0.53 0.40 0.01 0.00 0.70 0.00 0.00 55.95 57.59 2qhx s SER 175 Cb -0.23 0.30 0.01 0.00 -1.71 0.00 0.00 66.02 64.39 2qhx s SER 175 CO 0.25 -0.17 -0.18 -0.63 1.20 0.00 0.00 173.24 173.72 2qhx s ILE 176 N 1.38 2.37 -0.16 6.45 1.01 0.66 -1.56 121.20 131.34 2qhx s ILE 176 Ca -0.08 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 2qhx s ILE 176 Cb -0.11 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 2qhx s ILE 176 CO -0.07 0.52 -0.11 -0.63 0.00 0.00 0.00 174.94 174.65 2qhx s ILE 177 N 1.03 3.03 -0.22 2.92 -1.09 0.56 -1.27 121.20 126.16 2qhx s ILE 177 Ca -0.01 -0.64 -0.09 0.00 -2.23 0.00 0.00 60.65 57.67 2qhx s ILE 177 Cb -0.15 -2.31 -0.05 0.00 -1.58 0.00 0.00 42.46 38.38 2qhx s ILE 177 CO -0.05 0.50 0.12 0.20 -1.23 0.00 0.00 174.94 174.48 2qhx s ASN 178 N 0.78 5.90 -0.60 3.58 0.01 0.26 -0.41 114.94 124.46 2qhx s ASN 178 Ca -0.04 0.08 -0.27 0.00 -0.71 0.00 0.00 52.86 51.92 2qhx s ASN 178 Cb -0.15 -2.05 0.03 0.00 0.41 0.00 0.00 41.25 39.49 2qhx s ASN 178 CO 0.01 0.09 1.15 -0.04 -1.51 0.00 0.00 177.10 176.80 2qhx s MET 179 N 0.88 3.41 0.00 -0.60 -1.94 0.21 -1.36 119.30 119.90 2qhx s MET 179 Ca 0.06 0.02 0.00 0.00 -1.71 0.00 0.00 55.69 54.07 2qhx s MET 179 Cb -0.13 -4.06 0.00 0.00 2.01 0.00 0.00 34.83 32.65 2qhx s MET 179 CO 0.03 -1.72 0.00 1.33 -0.01 0.00 0.00 175.02 174.65 2qhx n VAL 180 N 6.50 0.00 -3.68 -6.03 0.24 0.69 -4.92 118.33 111.13 2qhx n VAL 180 Ca 0.06 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.20 2qhx n VAL 180 Cb 0.49 -0.18 -0.15 0.00 -1.47 0.00 0.00 33.84 32.53 2qhx n VAL 180 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2qhx s ASP 181 N -0.91 0.49 0.58 -1.34 -1.08 -1.26 -4.13 116.67 109.02 2qhx s ASP 181 Ca 0.00 0.41 0.36 0.00 -0.52 0.00 0.00 52.55 52.80 2qhx s ASP 181 Cb 0.00 0.38 1.71 0.00 -1.46 0.00 0.00 42.92 43.55 2qhx s ASP 181 CO 0.00 -0.23 2.12 0.00 0.52 0.00 0.00 175.17 177.58 2qhx h ALA 182 N 8.15 1.04 -0.02 3.66 0.00 -1.21 -3.25 119.26 127.63 2qhx h ALA 182 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2qhx h ALA 182 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2qhx h ALA 182 CO 0.19 0.03 -0.28 -1.33 0.00 0.00 0.00 179.25 177.86 2qhx n MET 183 N -3.17 1.59 0.26 0.00 2.81 -1.26 -4.57 117.12 112.78 2qhx n MET 183 Ca -0.01 -1.21 0.17 0.00 -1.81 0.00 0.00 57.70 54.84 2qhx n MET 183 Cb 0.23 -1.40 0.70 0.00 -0.71 0.00 0.00 33.22 32.03 2qhx n MET 183 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 2qhx h THR 184 N 2.87 0.00 0.00 2.03 1.35 -1.95 0.66 112.91 117.86 2qhx h THR 184 Ca 0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2qhx h THR 184 Cb 0.75 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 2qhx h THR 184 CO 0.00 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.86 2qhx n ASN 185 N -2.98 0.53 -3.57 5.36 4.13 -1.26 -3.34 115.26 114.14 2qhx n ASN 185 Ca 0.01 0.61 -0.29 0.00 1.68 0.00 0.00 54.58 56.59 2qhx n ASN 185 Cb 0.28 -0.73 -0.08 0.00 -1.54 0.00 0.00 39.78 37.71 2qhx n ASN 185 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qhx n GLN 186 N -2.06 2.59 -1.68 3.52 6.02 0.22 -5.09 117.38 120.90 2qhx n GLN 186 Ca 0.03 -4.64 -0.42 0.00 -0.01 0.00 0.00 57.00 51.97 2qhx n GLN 186 Cb 0.27 -2.29 -0.00 0.00 1.02 0.00 0.00 30.24 29.23 2qhx n GLN 186 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 2qhx n PRO 187 N 1.10 1.91 -2.31 -1.09 -0.02 -1.21 -4.91 135.00 128.47 2qhx n PRO 187 Ca 0.28 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 62.01 2qhx n PRO 187 Cb 0.39 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 2qhx n PRO 187 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2qhx s LEU 188 N -0.95 4.26 -0.01 2.45 2.96 -1.26 -4.95 118.68 121.19 2qhx s LEU 188 Ca 0.58 1.93 -0.34 0.00 -0.22 0.00 0.00 54.13 56.08 2qhx s LEU 188 Cb -0.57 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 42.45 2qhx s LEU 188 CO 0.60 -0.74 1.80 -0.11 -1.32 0.00 0.00 176.35 176.59 2qhx n LEU 189 N 6.02 3.39 0.00 -0.68 7.94 -1.26 -2.14 117.00 130.27 2qhx n LEU 189 Ca 0.14 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 56.04 2qhx n LEU 189 Cb 0.44 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 43.00 2qhx n LEU 189 CO 0.57 -0.10 0.00 0.61 -1.11 0.00 0.00 177.39 177.36 2qhx n GLY 190 N 4.12 0.74 1.62 -3.96 0.00 -1.26 -4.96 105.19 101.49 2qhx n GLY 190 Ca 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 2qhx n GLY 190 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qhx n TYR 191 N -2.14 1.94 -0.04 1.61 4.02 -0.91 -0.01 117.16 121.62 2qhx n TYR 191 Ca 0.00 -2.02 -0.11 0.00 -0.01 0.00 0.00 57.90 55.76 2qhx n TYR 191 Cb 0.00 -0.63 -0.05 0.00 -0.02 0.00 0.00 39.34 38.65 2qhx n TYR 191 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 2qhx h THR 192 N 1.31 0.18 -0.41 -0.72 2.02 -1.81 -0.56 112.91 112.92 2qhx h THR 192 Ca 0.34 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.55 2qhx h THR 192 Cb 1.52 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 2qhx h THR 192 CO 0.71 0.00 0.21 0.40 0.37 0.00 0.00 175.52 177.21 2qhx h ILE 193 N -0.40 0.97 -0.18 3.11 1.08 -1.90 0.28 117.51 120.47 2qhx h ILE 193 Ca 0.11 -0.14 0.04 0.00 -0.39 0.00 0.00 64.86 64.48 2qhx h ILE 193 Cb 0.59 0.52 -0.04 0.00 -3.07 0.00 0.00 36.82 34.81 2qhx h ILE 193 CO -0.44 0.08 -0.09 0.22 -0.69 0.00 0.00 178.15 177.22 2qhx h TYR 194 N 0.42 -0.23 -0.54 1.37 3.20 -1.74 0.08 116.97 119.52 2qhx h TYR 194 Ca 0.18 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.08 2qhx h TYR 194 Cb 0.08 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 2qhx h TYR 194 CO -0.10 -0.15 0.35 1.15 -1.64 0.00 0.00 178.16 177.77 2qhx h THR 195 N -0.08 1.12 -0.61 1.81 2.02 -0.29 -1.26 112.91 115.60 2qhx h THR 195 Ca 0.10 -0.24 0.05 0.00 0.77 0.00 0.00 66.41 67.09 2qhx h THR 195 Cb 0.23 0.34 -0.05 0.00 -1.74 0.00 0.00 68.15 66.93 2qhx h THR 195 CO -0.23 0.13 0.34 0.24 0.37 0.00 0.00 175.52 176.37 2qhx h MET 196 N 0.71 0.62 -0.67 6.66 2.86 -0.17 -1.31 114.93 123.64 2qhx h MET 196 Ca 0.21 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.75 2qhx h MET 196 Cb -0.05 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.44 2qhx h MET 196 CO -0.06 0.41 0.19 0.00 1.06 0.00 0.00 176.91 178.52 2qhx h ALA 197 N 1.31 1.08 -0.33 6.32 0.00 -0.26 -0.43 119.26 126.95 2qhx h ALA 197 Ca 0.27 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2qhx h ALA 197 Cb 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2qhx h ALA 197 CO -0.16 0.62 -0.30 0.87 0.00 0.00 0.00 179.25 180.28 2qhx h LYS 198 N 0.99 0.71 -0.70 0.00 1.79 -0.94 0.20 116.57 118.61 2qhx h LYS 198 Ca 0.22 -0.31 0.04 0.00 -2.18 0.00 0.00 60.65 58.41 2qhx h LYS 198 Cb 0.30 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.89 2qhx h LYS 198 CO -0.01 0.92 0.43 0.78 -1.08 0.00 0.00 179.45 180.49 2qhx h GLY 199 N 0.98 1.02 1.02 3.86 0.00 -0.65 0.18 103.07 109.48 2qhx h GLY 199 Ca 0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 2qhx h GLY 199 CO 0.07 0.25 0.31 0.00 0.00 0.00 0.00 176.54 177.17 2qhx h ALA 200 N 1.32 0.91 -0.43 3.60 0.00 -0.64 -2.23 119.26 121.79 2qhx h ALA 200 Ca 0.29 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2qhx h ALA 200 Cb 0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2qhx h ALA 200 CO -0.13 0.51 0.01 1.25 0.00 0.00 0.00 179.25 180.89 2qhx h LEU 201 N 0.99 0.65 -0.67 0.00 5.85 -0.30 0.38 115.31 122.22 2qhx h LEU 201 Ca 0.24 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2qhx h LEU 201 Cb 0.17 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2qhx h LEU 201 CO -0.02 0.72 0.36 -0.33 -0.34 0.00 0.00 178.44 178.82 2qhx h GLU 202 N 0.65 0.94 -0.73 1.25 5.08 -0.76 -0.97 114.58 120.05 2qhx h GLU 202 Ca 0.13 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2qhx h GLU 202 Cb 0.39 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2qhx h GLU 202 CO 0.01 0.71 0.25 0.78 -1.00 0.00 0.00 179.01 179.76 2qhx h GLY 203 N 0.92 1.19 0.98 -3.84 0.00 -0.74 -2.41 103.07 99.17 2qhx h GLY 203 Ca 0.24 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 2qhx h GLY 203 CO -0.04 0.64 0.28 -2.00 0.00 0.00 0.00 176.54 175.42 2qhx h LEU 204 N 1.07 0.68 -0.32 3.11 5.85 -0.63 0.06 115.31 125.14 2qhx h LEU 204 Ca 0.24 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.91 2qhx h LEU 204 Cb 0.27 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 2qhx h LEU 204 CO -0.01 0.60 -0.02 0.74 -0.34 0.00 0.00 178.44 179.40 2qhx h THR 205 N 0.72 0.74 -0.06 1.05 2.02 -0.80 0.11 112.91 116.69 2qhx h THR 205 Ca 0.19 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 2qhx h THR 205 Cb 0.08 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 2qhx h THR 205 CO -0.03 0.01 -0.06 0.03 0.37 0.00 0.00 175.52 175.84 2qhx h ARG 206 N 0.06 0.14 -0.17 6.66 3.08 -1.19 -1.69 114.38 121.27 2qhx h ARG 206 Ca 0.16 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2qhx h ARG 206 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2qhx h ARG 206 CO -0.28 0.60 0.09 1.03 -1.07 0.00 0.00 179.97 180.33 2qhx h SER 207 N -0.31 0.22 -0.78 7.04 0.87 -0.90 -2.61 113.55 117.08 2qhx h SER 207 Ca 0.01 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.43 2qhx h SER 207 Cb 0.57 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.44 2qhx h SER 207 CO 0.01 0.27 0.38 0.00 -0.53 0.00 0.00 176.83 176.96 2qhx h ALA 208 N 0.96 1.00 -0.57 6.23 0.00 -0.84 -1.82 119.26 124.22 2qhx h ALA 208 Ca 0.06 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.88 2qhx h ALA 208 Cb 0.10 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 2qhx h ALA 208 CO -0.01 0.57 0.27 0.00 0.00 0.00 0.00 179.25 180.08 2qhx h ALA 209 N 1.19 0.74 -0.06 0.00 0.00 -1.16 0.45 119.26 120.43 2qhx h ALA 209 Ca 0.27 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2qhx h ALA 209 Cb 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qhx h ALA 209 CO -0.03 -0.10 -0.00 1.25 0.00 0.00 0.00 179.25 180.36 2qhx h LEU 210 N 0.50 0.10 -0.86 0.00 5.85 -1.19 -2.56 115.31 117.16 2qhx h LEU 210 Ca 0.27 -0.32 -0.12 0.00 0.84 0.00 0.00 57.88 58.54 2qhx h LEU 210 Cb 0.22 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2qhx h LEU 210 CO -0.21 0.40 -0.55 -0.08 -0.34 0.00 0.00 178.44 177.65 2qhx h GLU 211 N -0.20 0.05 -0.02 1.25 4.81 -1.09 -3.17 114.58 116.20 2qhx h GLU 211 Ca 0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2qhx h GLU 211 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2qhx h GLU 211 CO 0.00 0.59 -0.18 1.28 -0.73 0.00 0.00 179.01 179.98 2qhx n LEU 212 N -3.89 2.38 -0.22 1.64 4.77 0.13 -4.32 117.00 117.49 2qhx n LEU 212 Ca -0.01 -0.81 0.01 0.00 -0.03 0.00 0.00 56.01 55.16 2qhx n LEU 212 Cb 0.56 -0.01 0.13 0.00 -2.33 0.00 0.00 43.42 41.77 2qhx n LEU 212 CO 0.42 0.41 1.02 0.00 -1.33 0.00 0.00 177.39 177.90 2qhx h ALA 213 N 4.33 0.87 -0.46 -1.18 0.00 -1.43 -1.85 119.26 119.55 2qhx h ALA 213 Ca 0.00 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.12 2qhx h ALA 213 Cb 0.83 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2qhx h ALA 213 CO 0.00 -0.15 0.35 -1.35 0.00 0.00 0.00 179.25 178.10 2qhx h PRO 214 N 0.47 0.00 -0.39 0.00 0.11 -1.81 0.13 132.00 130.52 2qhx h PRO 214 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 2qhx h PRO 214 Cb 0.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.51 2qhx h PRO 214 CO -0.30 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.77 2qhx n LEU 215 N -4.29 2.24 -2.16 2.35 4.77 -0.73 -4.92 117.00 114.25 2qhx n LEU 215 Ca 0.08 -1.09 -0.19 0.00 -0.03 0.00 0.00 56.01 54.78 2qhx n LEU 215 Cb 0.55 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 2qhx n LEU 215 CO 0.35 0.54 -0.23 0.00 -1.33 0.00 0.00 177.39 176.73 2qhx n GLN 216 N 0.71 -1.68 -3.13 3.23 6.02 0.47 -4.96 117.38 118.05 2qhx n GLN 216 Ca 0.15 1.00 -0.41 0.00 -0.01 0.00 0.00 57.00 57.72 2qhx n GLN 216 Cb 0.36 -5.57 -0.07 0.00 1.02 0.00 0.00 30.24 25.99 2qhx n GLN 216 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2qhx s ILE 217 N -2.87 4.94 0.04 5.09 1.01 -0.97 -4.19 121.20 124.25 2qhx s ILE 217 Ca 0.00 0.77 -0.20 0.00 0.00 0.00 0.00 60.65 61.22 2qhx s ILE 217 Cb 0.00 -4.00 -0.06 0.00 0.01 0.00 0.00 42.46 38.41 2qhx s ILE 217 CO 0.00 -0.17 0.58 -0.13 0.00 0.00 0.00 174.94 175.22 2qhx s ARG 218 N 2.60 4.26 -0.16 2.79 0.52 -0.88 -4.04 118.95 124.03 2qhx s ARG 218 Ca 0.24 0.74 -0.00 0.00 -0.52 0.00 0.00 55.73 56.19 2qhx s ARG 218 Cb -0.15 -3.28 0.04 0.00 0.52 0.00 0.00 34.95 32.07 2qhx s ARG 218 CO 0.12 0.52 -0.07 0.08 0.02 0.00 0.00 175.30 175.97 2qhx s VAL 219 N -0.71 1.24 0.24 3.52 1.01 -1.26 -0.24 120.40 124.20 2qhx s VAL 219 Ca 0.30 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.64 2qhx s VAL 219 Cb -0.19 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 2qhx s VAL 219 CO 0.18 0.19 0.03 0.20 0.00 0.00 0.00 175.10 175.71 2qhx s ASN 220 N 1.58 1.63 0.08 3.32 0.01 -0.40 0.21 114.94 121.37 2qhx s ASN 220 Ca 0.01 -1.27 0.10 0.00 -0.71 0.00 0.00 52.86 50.99 2qhx s ASN 220 Cb -0.15 0.06 -0.03 0.00 0.41 0.00 0.00 41.25 41.53 2qhx s ASN 220 CO -0.08 -0.59 -0.27 -0.83 -1.51 0.00 0.00 177.10 173.82 2qhx s GLY 221 N -3.31 1.47 -0.12 0.66 0.00 0.64 -0.57 107.32 106.09 2qhx s GLY 221 Ca 0.31 -1.34 0.03 0.00 0.00 0.00 0.00 44.72 43.72 2qhx s GLY 221 CO 0.10 -1.26 -0.21 0.14 0.00 0.00 0.00 173.10 171.87 2qhx s VAL 222 N -0.90 1.92 -0.32 1.40 1.01 -0.47 -0.40 120.40 122.65 2qhx s VAL 222 Ca 0.13 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.23 2qhx s VAL 222 Cb -0.10 -1.70 0.09 0.00 0.00 0.00 0.00 36.38 34.68 2qhx s VAL 222 CO 0.03 0.53 0.02 -0.83 0.00 0.00 0.00 175.10 174.85 2qhx s GLY 223 N 0.68 1.86 0.77 4.51 0.00 -0.06 -0.22 107.32 114.85 2qhx s GLY 223 Ca -0.11 -2.36 -0.13 0.00 0.00 0.00 0.00 44.72 42.12 2qhx s GLY 223 CO 0.02 0.89 1.15 -4.14 0.00 0.00 0.00 173.10 171.02 2qhx s PRO 224 N 0.96 2.04 0.00 2.90 0.02 -1.26 -0.54 135.00 139.12 2qhx s PRO 224 Ca 0.07 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.59 2qhx s PRO 224 Cb -0.19 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.48 2qhx s PRO 224 CO -0.08 -1.86 0.00 0.41 -0.33 0.00 0.00 177.00 175.14 2qhx n GLY 225 N -0.20 -0.34 3.02 0.52 0.00 -1.10 -1.08 105.19 106.01 2qhx n GLY 225 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2qhx n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qhx s LEU 226 N -3.20 1.67 -0.00 0.99 1.43 -1.26 -4.89 118.68 113.42 2qhx s LEU 226 Ca 0.00 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 2qhx s LEU 226 Cb 0.00 -1.16 -0.00 0.00 0.03 0.00 0.00 46.19 45.05 2qhx s LEU 226 CO 0.00 -0.05 -0.05 -0.44 0.23 0.00 0.00 176.35 176.04 2qhx s SER 227 N 1.46 0.58 -1.19 2.29 0.01 -1.26 -0.07 113.70 115.50 2qhx s SER 227 Ca 0.04 -0.09 -0.24 0.00 1.31 0.00 0.00 55.95 56.97 2qhx s SER 227 Cb -0.13 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.06 2qhx s SER 227 CO -0.10 0.06 0.45 1.33 0.41 0.00 0.00 173.24 175.39 2qhx n VAL 228 N 2.98 -1.97 -1.95 3.43 0.24 -0.14 -4.83 118.33 116.09 2qhx n VAL 228 Ca -0.13 -0.52 -0.42 0.00 -2.04 0.00 0.00 64.34 61.23 2qhx n VAL 228 Cb 0.58 -1.71 -0.03 0.00 -1.47 0.00 0.00 33.84 31.21 2qhx n VAL 228 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2qhx s LEU 229 N -7.22 4.37 -0.09 1.34 2.96 -1.26 -5.11 118.68 113.66 2qhx s LEU 229 Ca 0.33 2.62 0.01 0.00 -0.22 0.00 0.00 54.13 56.87 2qhx s LEU 229 Cb -0.19 -3.60 0.15 0.00 0.50 0.00 0.00 46.19 43.05 2qhx s LEU 229 CO 0.90 -0.80 1.17 0.52 -1.32 0.00 0.00 176.35 176.81 2qhx n VAL 230 N 3.71 1.42 -0.03 1.68 0.31 -1.26 -5.13 118.33 119.03 2qhx n VAL 230 Ca 0.13 -0.41 -0.04 0.00 -0.01 0.00 0.00 64.34 64.01 2qhx n VAL 230 Cb 0.39 -0.85 -0.04 0.00 -0.91 0.00 0.00 33.84 32.43 2qhx n VAL 230 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2qhx n GLU 239 N 0.14 1.63 -0.14 5.55 -0.58 -1.26 -5.23 120.64 120.75 2qhx n GLU 239 Ca 0.13 0.02 -0.09 0.00 -0.42 0.00 0.00 57.16 56.80 2qhx n GLU 239 Cb 0.74 -1.14 -0.00 0.00 -0.57 0.00 0.00 31.44 30.46 2qhx n GLU 239 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2qhx h GLY 240 N 0.83 0.66 0.68 0.62 0.00 -2.00 -1.89 103.07 101.98 2qhx h GLY 240 Ca -0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 2qhx h GLY 240 CO -0.01 0.32 -0.12 0.45 0.00 0.00 0.00 176.54 177.19 2qhx h HIS 241 N 0.54 -0.30 0.00 5.60 3.86 -2.02 -3.24 115.15 119.59 2qhx h HIS 241 Ca 0.14 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 2qhx h HIS 241 Cb 0.15 0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.71 2qhx h HIS 241 CO -0.01 0.02 -0.12 0.07 0.86 0.00 0.00 177.93 178.75 2qhx h ARG 242 N -0.65 0.00 0.00 2.45 0.11 -1.89 -2.41 114.38 111.99 2qhx h ARG 242 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2qhx h ARG 242 Cb 0.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 2qhx h ARG 242 CO 0.05 0.12 0.00 -1.13 0.10 0.00 0.00 179.97 179.12 2qhx n SER 243 N -4.25 0.18 0.09 0.08 3.41 -0.71 -2.12 113.62 110.30 2qhx n SER 243 Ca -0.03 0.55 0.13 0.00 -0.26 0.00 0.00 58.87 59.26 2qhx n SER 243 Cb 0.20 -0.59 0.36 0.00 -0.26 0.00 0.00 64.21 63.92 2qhx n SER 243 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2qhx n LYS 244 N -1.71 0.25 -2.15 4.33 4.76 -0.91 -4.75 118.16 117.98 2qhx n LYS 244 Ca 0.03 0.17 -0.43 0.00 -2.87 0.00 0.00 58.31 55.22 2qhx n LYS 244 Cb 0.18 -1.76 -0.02 0.00 -1.84 0.00 0.00 35.03 31.59 2qhx n LYS 244 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2qhx s VAL 245 N -3.11 3.74 0.21 -0.18 1.01 -1.05 -4.89 120.40 116.14 2qhx s VAL 245 Ca 0.10 0.83 -0.10 0.00 0.00 0.00 0.00 61.98 62.81 2qhx s VAL 245 Cb 0.13 -3.78 0.15 0.00 0.00 0.00 0.00 36.38 32.87 2qhx s VAL 245 CO 0.62 -0.35 1.73 -0.65 0.00 0.00 0.00 175.10 176.45 2qhx h PRO 246 N 10.70 0.33 -5.99 2.72 0.11 -1.82 -2.37 132.00 135.68 2qhx h PRO 246 Ca -0.32 -0.02 -0.59 0.00 0.11 0.00 0.00 66.00 65.17 2qhx h PRO 246 Cb 1.14 -0.07 -0.09 0.00 0.11 0.00 0.00 31.00 32.09 2qhx h PRO 246 CO 1.01 0.22 0.56 -1.17 -0.21 0.00 0.00 178.00 178.41 2qhx s LEU 247 N -10.44 4.03 0.00 2.35 2.96 -0.37 -4.16 118.68 113.05 2qhx s LEU 247 Ca -0.13 0.69 0.00 0.00 -0.22 0.00 0.00 54.13 54.47 2qhx s LEU 247 Cb 0.17 -3.23 0.00 0.00 0.50 0.00 0.00 46.19 43.63 2qhx s LEU 247 CO 0.74 -0.76 0.00 -1.22 -1.32 0.00 0.00 176.35 173.79 2qhx n TYR 248 N 6.54 0.00 -3.89 5.38 4.01 -1.26 -4.14 117.16 123.81 2qhx n TYR 248 Ca 0.06 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.53 2qhx n TYR 248 Cb 0.48 -0.14 0.01 0.00 -0.31 0.00 0.00 39.34 39.38 2qhx n TYR 248 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2qhx n GLN 249 N -1.95 -4.56 -3.60 -0.72 3.00 -0.89 -4.97 117.38 103.68 2qhx n GLN 249 Ca 0.00 0.54 -0.11 0.00 -0.01 0.00 0.00 57.00 57.42 2qhx n GLN 249 Cb 0.00 -5.13 -0.04 0.00 0.00 0.00 0.00 30.24 25.07 2qhx n GLN 249 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 2qhx s ARG 250 N -6.44 1.08 0.87 -1.09 1.70 -0.90 -3.83 118.95 110.33 2qhx s ARG 250 Ca 0.32 -0.62 -0.11 0.00 -0.47 0.00 0.00 55.73 54.84 2qhx s ARG 250 Cb -0.16 0.48 0.11 0.00 -0.57 0.00 0.00 34.95 34.81 2qhx s ARG 250 CO 0.85 -0.43 1.10 0.16 -1.08 0.00 0.00 175.30 175.90 2qhx s ASP 251 N -2.69 3.63 0.67 -2.89 -4.77 -1.26 -4.83 116.67 104.53 2qhx s ASP 251 Ca 0.02 1.74 -0.11 0.00 -3.30 0.00 0.00 52.55 50.90 2qhx s ASP 251 Cb 0.01 -2.39 -0.01 0.00 -1.09 0.00 0.00 42.92 39.45 2qhx s ASP 251 CO -0.11 -2.58 1.07 -0.94 0.70 0.00 0.00 175.17 173.32 2qhx s SER 252 N -3.23 5.76 0.72 2.11 1.04 0.89 -4.83 113.70 116.16 2qhx s SER 252 Ca 0.63 1.25 -0.10 0.00 0.48 0.00 0.00 55.95 58.22 2qhx s SER 252 Cb -0.19 -2.15 0.04 0.00 0.10 0.00 0.00 66.02 63.82 2qhx s SER 252 CO 0.57 -1.15 1.07 -0.94 0.98 0.00 0.00 173.24 173.77 2qhx s SER 253 N -4.28 5.07 0.19 7.02 1.04 -1.26 -0.97 113.70 120.51 2qhx s SER 253 Ca 0.57 0.83 -0.11 0.00 0.48 0.00 0.00 55.95 57.72 2qhx s SER 253 Cb -0.11 -1.54 0.11 0.00 0.10 0.00 0.00 66.02 64.58 2qhx s SER 253 CO 0.53 -1.51 1.79 0.00 0.98 0.00 0.00 173.24 175.03 2qhx h ALA 254 N -0.68 0.87 -0.22 5.32 0.00 -1.96 -2.96 119.26 119.63 2qhx h ALA 254 Ca -0.45 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 2qhx h ALA 254 Cb 1.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2qhx h ALA 254 CO 0.63 0.42 -0.14 0.00 0.00 0.00 0.00 179.25 180.16 2qhx h ALA 255 N 1.17 1.35 0.00 0.00 0.00 -1.94 0.12 119.26 119.95 2qhx h ALA 255 Ca 0.24 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2qhx h ALA 255 Cb 0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2qhx h ALA 255 CO -0.03 0.44 -0.08 0.93 0.00 0.00 0.00 179.25 180.51 2qhx h GLU 256 N 0.35 0.00 0.00 0.00 5.08 -1.91 0.64 114.58 118.74 2qhx h GLU 256 Ca 0.07 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.25 2qhx h GLU 256 Cb 0.46 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 2qhx h GLU 256 CO 0.03 0.08 -1.05 0.28 -1.00 0.00 0.00 179.01 177.35 2qhx h VAL 257 N 0.00 0.79 -0.72 3.13 2.07 -1.38 -3.41 116.25 116.74 2qhx h VAL 257 Ca -0.00 -1.97 -0.02 0.00 0.82 0.00 0.00 66.70 65.53 2qhx h VAL 257 Cb 0.20 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 2qhx h VAL 257 CO 0.01 0.27 0.36 0.77 0.02 0.00 0.00 177.57 179.00 2qhx h SER 258 N -1.00 0.91 -0.76 0.57 4.64 -0.57 -1.59 113.55 115.76 2qhx h SER 258 Ca -0.27 -0.09 0.17 0.00 -0.47 0.00 0.00 61.79 61.13 2qhx h SER 258 Cb 1.13 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 62.94 2qhx h SER 258 CO -0.16 0.76 0.51 0.44 -0.87 0.00 0.00 176.83 177.52 2qhx h ASP 259 N 1.01 0.29 -0.18 4.97 3.32 -1.12 -0.10 116.42 124.62 2qhx h ASP 259 Ca 0.25 0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.18 2qhx h ASP 259 Cb 0.08 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2qhx h ASP 259 CO -0.04 0.14 -0.45 0.58 -1.72 0.00 0.00 179.24 177.75 2qhx h VAL 260 N 0.30 1.33 -0.41 -1.35 2.07 -1.51 -1.10 116.25 115.58 2qhx h VAL 260 Ca 0.37 -1.69 0.03 0.00 0.82 0.00 0.00 66.70 66.23 2qhx h VAL 260 Cb 1.03 1.92 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 2qhx h VAL 260 CO -0.10 0.52 0.21 0.58 0.02 0.00 0.00 177.57 178.80 2qhx h VAL 261 N 0.30 0.97 -0.36 2.57 2.07 -1.16 -1.42 116.25 119.22 2qhx h VAL 261 Ca -0.00 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.39 2qhx h VAL 261 Cb 1.06 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2qhx h VAL 261 CO 0.10 0.08 0.21 0.40 0.02 0.00 0.00 177.57 178.38 2qhx h ILE 262 N 0.42 1.04 -0.24 4.57 5.03 -0.99 -2.20 117.51 125.13 2qhx h ILE 262 Ca 0.18 -0.15 0.03 0.00 -0.12 0.00 0.00 64.86 64.80 2qhx h ILE 262 Cb 0.09 0.57 -0.03 0.00 -3.03 0.00 0.00 36.82 34.42 2qhx h ILE 262 CO -0.13 0.08 0.07 0.15 -0.68 0.00 0.00 178.15 177.65 2qhx h PHE 263 N 0.43 0.13 -0.12 1.37 3.57 -0.82 -2.14 116.94 119.35 2qhx h PHE 263 Ca 0.14 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.69 2qhx h PHE 263 Cb 0.00 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 2qhx h PHE 263 CO -0.07 0.06 0.09 -0.07 -2.23 0.00 0.00 178.31 176.09 2qhx h LEU 264 N 0.18 0.00 0.00 0.59 3.38 -1.06 0.22 115.31 118.62 2qhx h LEU 264 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2qhx h LEU 264 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2qhx h LEU 264 CO -0.12 0.00 -0.03 0.00 0.09 0.00 0.00 178.44 178.39 2qhx s SER 266 N -5.13 5.59 0.58 0.00 1.04 0.06 -4.91 113.70 110.94 2qhx s SER 266 Ca 0.09 1.83 0.36 0.00 0.48 0.00 0.00 55.95 58.71 2qhx s SER 266 Cb 0.10 -2.53 1.73 0.00 0.10 0.00 0.00 66.02 65.42 2qhx s SER 266 CO 0.63 -1.30 2.13 0.77 0.98 0.00 0.00 173.24 176.45 2qhx h SER 267 N 0.22 0.00 0.42 7.02 4.64 -1.90 -1.94 113.55 122.02 2qhx h SER 267 Ca -0.46 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.83 2qhx h SER 267 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2qhx h SER 267 CO 0.57 0.03 -0.13 0.11 -0.87 0.00 0.00 176.83 176.54 2qhx h LYS 268 N 0.00 0.00 -0.75 4.77 1.57 -1.92 -2.47 116.57 117.76 2qhx h LYS 268 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2qhx h LYS 268 Cb 0.31 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 2qhx h LYS 268 CO 0.00 0.13 0.11 0.00 -0.57 0.00 0.00 179.45 179.13 2qhx n ALA 269 N -2.28 3.85 0.83 3.86 0.00 -0.73 -4.65 120.51 121.39 2qhx n ALA 269 Ca -0.02 -1.62 0.09 0.00 0.00 0.00 0.00 53.44 51.90 2qhx n ALA 269 Cb 0.26 -1.15 0.45 0.00 0.00 0.00 0.00 19.45 19.01 2qhx n ALA 269 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2qhx n LYS 270 N 0.21 0.20 0.00 0.00 2.85 -0.93 -1.80 118.16 118.68 2qhx n LYS 270 Ca 0.26 0.13 0.11 0.00 -1.05 0.00 0.00 58.31 57.77 2qhx n LYS 270 Cb 1.07 -1.50 0.05 0.00 -0.65 0.00 0.00 35.03 34.00 2qhx n LYS 270 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 2qhx n TYR 271 N -1.34 0.00 -3.10 5.58 9.36 -1.26 -4.88 117.16 121.52 2qhx n TYR 271 Ca 0.08 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.89 2qhx n TYR 271 Cb 0.17 -0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.81 2qhx n TYR 271 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2qhx s ILE 272 N -2.31 4.94 0.01 2.97 1.01 -0.75 -5.04 121.20 122.03 2qhx s ILE 272 Ca 0.22 0.96 -0.11 0.00 0.00 0.00 0.00 60.65 61.72 2qhx s ILE 272 Cb 0.19 -3.99 0.01 0.00 0.01 0.00 0.00 42.46 38.68 2qhx s ILE 272 CO 0.48 -0.09 0.23 0.28 0.00 0.00 0.00 174.94 175.83 2qhx s THR 273 N 2.60 0.08 -0.82 2.92 -1.32 -1.26 -4.73 115.64 113.10 2qhx s THR 273 Ca 0.26 -0.67 0.00 0.00 -1.21 0.00 0.00 61.69 60.07 2qhx s THR 273 Cb -0.15 -0.67 0.00 0.00 -1.51 0.00 0.00 72.50 70.17 2qhx s THR 273 CO 0.11 -0.37 0.00 0.61 -2.21 0.00 0.00 174.62 172.76 2qhx n GLY 274 N 1.10 0.96 3.48 6.08 0.00 0.13 -4.96 105.19 111.98 2qhx n GLY 274 Ca -0.21 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 2qhx n GLY 274 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qhx s THR 275 N -2.20 2.77 -0.19 2.61 -4.23 -1.26 -4.71 115.64 108.44 2qhx s THR 275 Ca 0.00 -1.57 -0.04 0.00 -1.18 0.00 0.00 61.69 58.90 2qhx s THR 275 Cb 0.00 -2.27 -0.02 0.00 1.34 0.00 0.00 72.50 71.55 2qhx s THR 275 CO 0.00 0.08 -0.04 0.00 -0.54 0.00 0.00 174.62 174.12 2qhx s VAL 277 N 0.92 5.02 0.06 0.00 1.01 0.46 -4.95 120.40 122.92 2qhx s VAL 277 Ca -0.00 -0.28 -0.31 0.00 0.00 0.00 0.00 61.98 61.39 2qhx s VAL 277 Cb -0.15 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 2qhx s VAL 277 CO 0.01 0.03 1.24 -0.54 0.00 0.00 0.00 175.10 175.84 2qhx s LYS 278 N 1.68 4.40 -0.66 2.72 1.02 -1.26 -0.88 119.74 126.76 2qhx s LYS 278 Ca 0.06 1.83 0.05 0.00 0.02 0.00 0.00 55.97 57.93 2qhx s LYS 278 Cb -0.17 -3.34 0.19 0.00 -0.52 0.00 0.00 37.83 33.99 2qhx s LYS 278 CO 0.09 -0.31 0.56 0.28 -0.92 0.00 0.00 175.35 175.04 2qhx n VAL 279 N 3.99 1.57 -0.71 3.17 0.31 0.30 -4.91 118.33 122.04 2qhx n VAL 279 Ca 0.10 -4.84 0.00 0.00 -0.01 0.00 0.00 64.34 59.58 2qhx n VAL 279 Cb 0.45 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.26 2qhx n VAL 279 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2qhx n ASP 280 N 1.70 0.52 -2.20 4.52 5.75 -1.26 -2.69 116.55 122.88 2qhx n ASP 280 Ca 0.23 -1.23 -0.17 0.00 -0.01 0.00 0.00 54.79 53.61 2qhx n ASP 280 Cb 0.38 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.45 2qhx n ASP 280 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qhx n GLY 281 N -0.12 0.00 2.06 6.12 0.00 -1.26 -1.28 105.19 110.71 2qhx n GLY 281 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qhx n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qhx n GLY 282 N -0.78 0.66 0.36 -0.02 0.00 -1.26 -1.24 105.19 102.93 2qhx n GLY 282 Ca -0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.84 2qhx n GLY 282 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2qhx h TYR 283 N 0.00 1.07 0.00 1.61 3.20 -1.53 -0.93 116.97 120.39 2qhx h TYR 283 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2qhx h TYR 283 Cb 0.00 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 37.91 2qhx h TYR 283 CO 0.00 0.62 0.00 -1.13 -1.64 0.00 0.00 178.16 176.01 2qhx n SER 284 N -4.45 0.00 0.01 -2.11 3.41 -1.26 -1.89 113.62 107.33 2qhx n SER 284 Ca 0.12 0.43 0.13 0.00 -0.26 0.00 0.00 58.87 59.30 2qhx n SER 284 Cb 0.11 -0.46 0.49 0.00 -0.26 0.00 0.00 64.21 64.09 2qhx n SER 284 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qhx n LEU 285 N -1.46 0.20 -4.89 1.04 4.77 -0.35 -4.93 117.00 111.37 2qhx n LEU 285 Ca 0.04 0.36 -0.29 0.00 -0.03 0.00 0.00 56.01 56.08 2qhx n LEU 285 Cb 0.14 -0.41 0.04 0.00 -2.33 0.00 0.00 43.42 40.85 2qhx n LEU 285 CO 0.11 0.02 0.68 0.42 -1.33 0.00 0.00 177.39 177.29 2qhx s THR 286 N -3.01 3.66 0.05 -5.08 -4.23 -0.79 -5.10 115.64 101.13 2qhx s THR 286 Ca 0.13 0.37 -0.02 0.00 -1.18 0.00 0.00 61.69 60.98 2qhx s THR 286 Cb 0.18 -3.51 -0.03 0.00 1.34 0.00 0.00 72.50 70.48 2qhx s THR 286 CO 0.59 -0.62 0.01 0.00 -0.54 0.00 0.00 174.62 174.05 2qhx s ARG 287 N -5.23 0.59 0.00 3.99 1.70 -1.26 -5.12 118.95 113.63 2qhx s ARG 287 Ca 0.56 -1.06 0.12 0.00 -0.47 0.00 0.00 55.73 54.89 2qhx s ARG 287 Cb -0.11 0.21 0.73 0.00 -0.57 0.00 0.00 34.95 35.21 2qhx s ARG 287 CO 0.50 -0.12 1.16 0.00 -1.08 0.00 0.00 175.30 175.75