#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qis n PHE 6 N 0.00 0.32 -0.34 1.12 3.72 -1.26 -4.61 117.46 116.41 1qis n PHE 6 Ca 0.00 -0.17 0.07 0.00 -0.05 0.00 0.00 57.45 57.30 1qis n PHE 6 Cb 0.00 -0.00 0.23 0.00 -0.94 0.00 0.00 39.48 38.77 1qis n PHE 6 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1qis h GLU 7 N 4.43 0.85 -0.47 -1.08 3.07 -2.12 -2.48 114.58 116.78 1qis h GLU 7 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1qis h GLU 7 Cb 0.97 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 1qis h GLU 7 CO 0.00 0.56 0.00 0.09 -1.40 0.00 0.00 179.01 178.26 1qis n ASN 8 N -4.70 2.98 -4.68 1.42 3.02 -1.26 -4.94 115.26 107.11 1qis n ASN 8 Ca 0.18 -1.96 -0.42 0.00 -0.03 0.00 0.00 54.58 52.35 1qis n ASN 8 Cb 0.37 -0.31 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 1qis n ASN 8 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1qis s ILE 9 N -1.38 3.73 0.18 2.41 1.01 -0.94 -4.98 121.20 121.23 1qis s ILE 9 Ca 0.38 1.04 -0.20 0.00 0.00 0.00 0.00 60.65 61.87 1qis s ILE 9 Cb 0.20 -3.67 -0.08 0.00 0.01 0.00 0.00 42.46 38.92 1qis s ILE 9 CO 0.28 -0.03 0.69 0.28 0.00 0.00 0.00 174.94 176.16 1qis s THR 10 N 2.90 4.58 0.37 2.92 -1.32 -1.26 -5.04 115.64 118.79 1qis s THR 10 Ca 0.65 1.32 -0.27 0.00 -1.21 0.00 0.00 61.69 62.18 1qis s THR 10 Cb -0.31 -3.91 -0.09 0.00 -1.51 0.00 0.00 72.50 66.67 1qis s THR 10 CO 0.26 0.34 1.28 0.00 -2.21 0.00 0.00 174.62 174.28 1qis s ALA 11 N -1.37 3.33 0.46 11.08 0.00 -1.26 -5.01 121.76 129.00 1qis s ALA 11 Ca 0.38 1.19 -0.21 0.00 0.00 0.00 0.00 51.96 53.32 1qis s ALA 11 Cb -0.18 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.39 1qis s ALA 11 CO 0.22 -0.69 1.03 0.00 0.00 0.00 0.00 175.76 176.32 1qis s ALA 12 N -1.24 2.94 0.45 0.00 0.00 -1.26 -5.02 121.76 117.64 1qis s ALA 12 Ca 0.54 0.60 -0.23 0.00 0.00 0.00 0.00 51.96 52.87 1qis s ALA 12 Cb -0.37 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.42 1qis s ALA 12 CO 0.48 -0.23 1.09 -1.25 0.00 0.00 0.00 175.76 175.86 1qis s PRO 13 N -3.06 3.89 0.58 0.00 0.04 -1.26 -4.97 135.00 130.23 1qis s PRO 13 Ca 0.64 1.58 -0.19 0.00 0.04 0.00 0.00 61.00 63.07 1qis s PRO 13 Cb -0.17 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 1qis s PRO 13 CO 0.21 -0.39 1.21 0.00 0.04 0.00 0.00 177.00 178.07 1qis s ALA 14 N -1.69 2.59 0.19 8.56 0.00 -1.26 -4.93 121.76 125.21 1qis s ALA 14 Ca 0.63 1.03 -0.31 0.00 0.00 0.00 0.00 51.96 53.30 1qis s ALA 14 Cb -0.23 -3.45 -0.10 0.00 0.00 0.00 0.00 23.12 19.33 1qis s ALA 14 CO 0.28 -1.14 1.55 0.34 0.00 0.00 0.00 175.76 176.79 1qis s ASP 15 N -1.54 6.59 0.59 0.00 -1.08 -1.26 -4.87 116.67 115.09 1qis s ASP 15 Ca 0.76 2.64 0.32 0.00 -0.52 0.00 0.00 52.55 55.75 1qis s ASP 15 Cb -0.31 -2.60 1.86 0.00 -1.46 0.00 0.00 42.92 40.41 1qis s ASP 15 CO 0.34 -0.81 2.25 1.55 0.52 0.00 0.00 175.17 179.01 1qis h PRO 16 N 6.41 0.00 0.00 4.34 0.13 -1.97 0.17 132.00 141.08 1qis h PRO 16 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1qis h PRO 16 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1qis h PRO 16 CO 0.89 0.02 -0.74 -0.89 -0.23 0.00 0.00 178.00 177.04 1qis n ILE 17 N -3.70 1.28 0.22 -3.56 5.41 -1.26 -4.45 119.36 113.31 1qis n ILE 17 Ca -0.03 0.21 0.05 0.00 1.00 0.00 0.00 62.75 63.99 1qis n ILE 17 Cb 0.11 -2.14 0.50 0.00 -0.71 0.00 0.00 39.64 37.40 1qis n ILE 17 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1qis h LEU 18 N -0.74 0.00 -0.90 1.39 3.38 -1.97 -2.20 115.31 114.27 1qis h LEU 18 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1qis h LEU 18 Cb 0.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1qis h LEU 18 CO 0.00 0.19 -0.18 1.23 0.09 0.00 0.00 178.44 179.77 1qis h GLY 19 N 0.56 0.00 1.13 0.83 0.00 -0.93 -3.06 103.07 101.60 1qis h GLY 19 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1qis h GLY 19 CO 0.02 0.00 0.47 -2.00 0.00 0.00 0.00 176.54 175.03 1qis h LEU 20 N 0.00 1.02 -0.98 3.11 5.85 -1.51 -2.43 115.31 120.37 1qis h LEU 20 Ca -0.00 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1qis h LEU 20 Cb 0.81 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1qis h LEU 20 CO 0.02 0.81 0.15 0.00 -0.34 0.00 0.00 178.44 179.08 1qis h ALA 21 N 1.36 1.17 -0.64 1.25 0.00 -1.62 -1.32 119.26 119.45 1qis h ALA 21 Ca 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1qis h ALA 21 Cb 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1qis h ALA 21 CO -0.05 0.57 0.36 -0.44 0.00 0.00 0.00 179.25 179.69 1qis h ASP 22 N 0.86 0.79 0.40 0.00 3.32 -1.54 -1.55 116.42 118.70 1qis h ASP 22 Ca 0.19 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1qis h ASP 22 Cb 0.30 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1qis h ASP 22 CO -0.00 0.65 -0.19 -0.07 -1.72 0.00 0.00 179.24 177.91 1qis h LEU 23 N 0.87 -0.45 -0.96 1.55 3.38 -1.23 -3.05 115.31 115.42 1qis h LEU 23 Ca 0.23 -0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.26 1qis h LEU 23 Cb 0.02 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 1qis h LEU 23 CO -0.04 -0.24 0.59 0.15 0.09 0.00 0.00 178.44 178.99 1qis h PHE 24 N -0.64 1.07 -1.53 1.13 3.57 -1.20 -2.42 116.94 116.91 1qis h PHE 24 Ca -0.05 0.03 -0.76 0.00 3.53 0.00 0.00 57.97 60.72 1qis h PHE 24 Cb 0.47 -0.34 -0.16 0.00 2.79 0.00 0.00 35.95 38.71 1qis h PHE 24 CO -0.02 0.43 1.90 0.54 -2.23 0.00 0.00 178.31 178.92 1qis n ARG 25 N -4.65 3.63 0.00 1.11 5.12 -0.59 -2.44 116.66 118.83 1qis n ARG 25 Ca 0.17 -3.61 0.00 0.00 -1.93 0.00 0.00 57.85 52.49 1qis n ARG 25 Cb 0.33 -2.92 0.00 0.00 -1.16 0.00 0.00 32.46 28.71 1qis n ARG 25 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1qis n ALA 26 N 3.97 0.00 -2.50 7.54 0.00 -1.08 -4.84 120.51 123.61 1qis n ALA 26 Ca 0.39 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.40 1qis n ALA 26 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.80 1qis n ALA 26 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qis s ASP 27 N 0.00 6.66 0.34 0.00 -1.08 -0.93 -4.87 116.67 116.78 1qis s ASP 27 Ca 0.00 0.94 0.26 0.00 -0.52 0.00 0.00 52.55 53.23 1qis s ASP 27 Cb 0.00 -2.54 0.90 0.00 -1.46 0.00 0.00 42.92 39.82 1qis s ASP 27 CO 0.00 -1.14 1.77 -0.33 0.52 0.00 0.00 175.17 175.99 1qis h GLU 28 N 9.27 0.00 -6.71 4.34 4.39 -1.92 -3.46 114.58 120.48 1qis h GLU 28 Ca -0.24 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 58.89 1qis h GLU 28 Cb 1.08 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 29.82 1qis h GLU 28 CO 1.06 0.00 0.68 0.54 -1.16 0.00 0.00 179.01 180.13 1qis n ARG 29 N -2.57 2.30 0.12 2.33 1.74 -1.26 -4.95 116.66 114.37 1qis n ARG 29 Ca 0.03 0.81 -0.14 0.00 -0.77 0.00 0.00 57.85 57.79 1qis n ARG 29 Cb 0.36 -2.49 -0.08 0.00 -1.02 0.00 0.00 32.46 29.22 1qis n ARG 29 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1qis h PRO 30 N 3.85 -0.28 -1.07 5.56 0.13 -2.02 -3.32 132.00 134.85 1qis h PRO 30 Ca -0.46 0.02 -0.26 0.00 -0.87 0.00 0.00 66.00 64.42 1qis h PRO 30 Cb 1.26 0.06 -0.15 0.00 0.13 0.00 0.00 31.00 32.30 1qis h PRO 30 CO 0.72 -0.03 0.33 0.41 -0.23 0.00 0.00 178.00 179.21 1qis n GLY 31 N -0.64 3.34 3.75 1.56 0.00 -1.26 -4.97 105.19 106.96 1qis n GLY 31 Ca -0.09 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 1qis n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qis s LYS 32 N -1.64 3.05 -0.08 1.61 0.00 -1.25 -4.93 119.74 116.50 1qis s LYS 32 Ca 0.28 1.97 0.03 0.00 0.00 0.00 0.00 55.97 58.25 1qis s LYS 32 Cb 0.24 -2.06 0.01 0.00 0.00 0.00 0.00 37.83 36.01 1qis s LYS 32 CO 0.05 -1.18 -0.16 0.42 0.00 0.00 0.00 175.35 174.48 1qis s ILE 33 N -1.48 1.40 -0.43 3.79 1.01 0.16 -5.01 121.20 120.65 1qis s ILE 33 Ca 0.75 -0.63 -0.13 0.00 0.00 0.00 0.00 60.65 60.64 1qis s ILE 33 Cb -0.34 -1.25 0.06 0.00 0.01 0.00 0.00 42.46 40.94 1qis s ILE 33 CO 0.38 0.41 0.31 0.21 0.00 0.00 0.00 174.94 176.25 1qis s ASN 34 N 0.58 5.92 -0.20 3.58 3.04 -1.26 -0.90 114.94 125.70 1qis s ASN 34 Ca -0.16 -1.26 0.12 0.00 0.04 0.00 0.00 52.86 51.61 1qis s ASN 34 Cb -0.16 -2.09 0.41 0.00 -1.54 0.00 0.00 41.25 37.86 1qis s ASN 34 CO 0.05 -0.54 1.24 0.18 -3.04 0.00 0.00 177.10 174.99 1qis n LEU 35 N 5.08 2.83 0.00 3.21 4.77 0.78 -4.75 117.00 128.92 1qis n LEU 35 Ca -0.11 -3.74 0.00 0.00 -0.03 0.00 0.00 56.01 52.13 1qis n LEU 35 Cb 0.44 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1qis n LEU 35 CO 0.42 1.26 0.00 0.61 -1.33 0.00 0.00 177.39 178.35 1qis n GLY 36 N -1.16 1.00 3.76 -0.72 0.00 -1.01 -1.14 105.19 105.91 1qis n GLY 36 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1qis n GLY 36 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1qis s ILE 37 N 0.06 2.11 -1.20 -0.61 2.07 -1.26 -4.54 121.20 117.83 1qis s ILE 37 Ca 0.00 0.09 -0.12 0.00 -1.41 0.00 0.00 60.65 59.21 1qis s ILE 37 Cb 0.00 -3.05 -0.06 0.00 0.13 0.00 0.00 42.46 39.48 1qis s ILE 37 CO 0.00 0.01 2.33 0.61 -1.91 0.00 0.00 174.94 175.97 1qis n GLY 38 N 0.64 3.61 3.30 1.50 0.00 -1.26 -4.88 105.19 108.10 1qis n GLY 38 Ca 0.07 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 1qis n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qis s VAL 39 N 3.37 2.25 0.30 1.61 1.01 -1.26 -4.96 120.40 122.72 1qis s VAL 39 Ca 0.53 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 1qis s VAL 39 Cb 0.14 -1.84 -0.10 0.00 0.00 0.00 0.00 36.38 34.59 1qis s VAL 39 CO -0.02 0.57 1.15 -0.47 0.00 0.00 0.00 175.10 176.33 1qis s TYR 40 N -0.19 3.42 0.03 5.22 5.04 -1.26 -4.56 117.35 125.06 1qis s TYR 40 Ca -0.02 1.62 0.06 0.00 -2.44 0.00 0.00 57.07 56.29 1qis s TYR 40 Cb -0.14 -3.38 -0.02 0.00 0.35 0.00 0.00 41.96 38.77 1qis s TYR 40 CO 0.03 -0.90 -0.19 0.15 -1.34 0.00 0.00 175.55 173.31 1qis s LYS 41 N -1.59 1.27 0.80 4.97 1.02 -0.86 -4.40 119.74 120.96 1qis s LYS 41 Ca 0.46 -0.85 -0.05 0.00 0.02 0.00 0.00 55.97 55.56 1qis s LYS 41 Cb -0.34 -1.34 0.17 0.00 -0.52 0.00 0.00 37.83 35.80 1qis s LYS 41 CO 0.44 0.34 1.10 -0.40 -0.92 0.00 0.00 175.35 175.91 1qis n ASP 42 N 1.97 1.02 0.26 2.83 5.68 0.37 -4.81 116.55 123.87 1qis n ASP 42 Ca -0.17 -1.97 0.12 0.00 -0.50 0.00 0.00 54.79 52.27 1qis n ASP 42 Cb 0.54 -0.75 0.67 0.00 -1.14 0.00 0.00 41.12 40.43 1qis n ASP 42 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1qis h GLU 43 N 0.00 0.00 -0.17 0.11 4.57 -1.91 0.23 114.58 117.41 1qis h GLU 43 Ca -0.36 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 1qis h GLU 43 Cb 1.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1qis h GLU 43 CO 0.34 0.00 0.00 0.25 -1.18 0.00 0.00 179.01 178.42 1qis n THR 44 N -2.55 0.19 -1.35 0.32 -2.24 -1.26 -4.71 114.28 102.68 1qis n THR 44 Ca -0.02 -0.57 -0.02 0.00 -2.27 0.00 0.00 64.05 61.17 1qis n THR 44 Cb 0.30 1.21 -0.01 0.00 -2.10 0.00 0.00 70.33 69.73 1qis n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qis n GLY 45 N 1.39 0.48 3.70 3.38 0.00 0.81 -5.05 105.19 109.90 1qis n GLY 45 Ca 0.16 -0.92 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 1qis n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qis s LYS 46 N -2.76 2.42 -0.70 1.61 1.02 -1.26 -4.84 119.74 115.24 1qis s LYS 46 Ca 0.00 -1.39 0.05 0.00 0.02 0.00 0.00 55.97 54.65 1qis s LYS 46 Cb 0.00 -2.24 0.17 0.00 -0.52 0.00 0.00 37.83 35.24 1qis s LYS 46 CO 0.00 0.31 0.48 0.99 -0.92 0.00 0.00 175.35 176.21 1qis s THR 47 N -2.32 2.87 0.68 2.17 2.01 -1.26 -0.48 115.64 119.31 1qis s THR 47 Ca 0.33 -4.24 -0.13 0.00 0.31 0.00 0.00 61.69 57.96 1qis s THR 47 Cb -0.06 -2.89 0.01 0.00 0.01 0.00 0.00 72.50 69.57 1qis s THR 47 CO 0.21 -1.00 1.08 -2.16 -0.69 0.00 0.00 174.62 172.07 1qis s PRO 48 N -1.41 2.82 0.06 4.92 0.04 -1.26 -5.00 135.00 135.17 1qis s PRO 48 Ca 0.25 1.22 -0.30 0.00 0.04 0.00 0.00 61.00 62.20 1qis s PRO 48 Cb -0.05 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 1qis s PRO 48 CO -0.16 -1.21 1.11 0.08 0.04 0.00 0.00 177.00 176.86 1qis s VAL 49 N -2.62 4.26 0.62 -0.36 1.01 -1.26 -4.99 120.40 117.06 1qis s VAL 49 Ca 0.63 1.67 -0.19 0.00 0.00 0.00 0.00 61.98 64.10 1qis s VAL 49 Cb -0.17 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 1qis s VAL 49 CO 0.46 0.16 1.22 0.18 0.00 0.00 0.00 175.10 177.12 1qis n LEU 50 N 3.66 5.34 -0.19 3.92 4.77 -1.26 -4.82 117.00 128.42 1qis n LEU 50 Ca 0.07 0.85 -0.09 0.00 -0.03 0.00 0.00 56.01 56.82 1qis n LEU 50 Cb 0.48 -1.52 0.02 0.00 -2.33 0.00 0.00 43.42 40.07 1qis n LEU 50 CO 0.54 -1.14 0.89 0.74 -1.33 0.00 0.00 177.39 177.09 1qis h THR 51 N 0.69 1.25 -0.75 -5.08 2.02 -1.97 -0.72 112.91 108.35 1qis h THR 51 Ca -0.50 -0.91 0.03 0.00 0.77 0.00 0.00 66.41 65.79 1qis h THR 51 Cb 1.34 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 1qis h THR 51 CO 0.53 0.33 0.49 0.77 0.37 0.00 0.00 175.52 178.02 1qis h SER 52 N 0.79 0.81 -0.19 4.18 4.64 -1.90 -0.65 113.55 121.22 1qis h SER 52 Ca 0.17 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.43 1qis h SER 52 Cb 0.37 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1qis h SER 52 CO 0.01 0.56 -0.07 0.58 -0.87 0.00 0.00 176.83 177.04 1qis h VAL 53 N 0.94 1.30 -0.73 0.95 2.07 -1.81 -1.82 116.25 117.15 1qis h VAL 53 Ca 0.29 -1.08 0.05 0.00 0.82 0.00 0.00 66.70 66.77 1qis h VAL 53 Cb 0.00 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 1qis h VAL 53 CO -0.08 0.33 0.44 0.11 0.02 0.00 0.00 177.57 178.39 1qis h LYS 54 N 0.08 0.81 -0.36 1.57 1.79 -0.52 -0.90 116.57 119.04 1qis h LYS 54 Ca 0.04 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1qis h LYS 54 Cb 0.53 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 1qis h LYS 54 CO 0.02 0.54 0.19 0.87 -1.08 0.00 0.00 179.45 179.99 1qis h LYS 55 N 0.83 0.51 -0.53 3.15 1.57 -1.08 -1.95 116.57 119.07 1qis h LYS 55 Ca 0.31 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.98 1qis h LYS 55 Cb 0.11 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1qis h LYS 55 CO -0.15 0.43 0.12 0.00 -0.57 0.00 0.00 179.45 179.28 1qis h ALA 56 N 1.05 1.22 -0.53 3.86 0.00 -0.88 -2.08 119.26 121.91 1qis h ALA 56 Ca 0.13 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1qis h ALA 56 Cb 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1qis h ALA 56 CO -0.02 0.54 0.06 0.93 0.00 0.00 0.00 179.25 180.76 1qis h GLU 57 N 0.78 0.85 -0.27 0.00 5.08 -0.92 -0.01 114.58 120.09 1qis h GLU 57 Ca 0.17 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1qis h GLU 57 Cb 0.30 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1qis h GLU 57 CO 0.00 0.82 0.10 0.37 -1.00 0.00 0.00 179.01 179.29 1qis h GLN 58 N 0.81 0.42 -0.69 2.33 5.75 -1.06 -0.50 115.11 122.17 1qis h GLN 58 Ca 0.16 -0.08 0.06 0.00 -0.15 0.00 0.00 58.65 58.64 1qis h GLN 58 Cb 0.40 -0.06 -0.06 0.00 1.07 0.00 0.00 27.48 28.83 1qis h GLN 58 CO 0.01 0.46 0.39 -0.92 -2.65 0.00 0.00 178.83 176.12 1qis h TYR 59 N 0.28 0.71 -0.49 3.99 3.20 -0.89 -1.29 116.97 122.49 1qis h TYR 59 Ca 0.09 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.87 1qis h TYR 59 Cb 0.21 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1qis h TYR 59 CO -0.00 0.35 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.63 1qis h LEU 60 N 0.72 0.96 -1.09 2.82 3.38 -0.65 0.64 115.31 122.09 1qis h LEU 60 Ca 0.31 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1qis h LEU 60 Cb 0.18 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1qis h LEU 60 CO -0.18 1.11 0.51 0.25 0.09 0.00 0.00 178.44 180.22 1qis h LEU 61 N 0.83 1.00 -0.00 1.67 5.85 -0.48 -0.24 115.31 123.94 1qis h LEU 61 Ca 0.12 -0.05 -0.25 0.00 0.84 0.00 0.00 57.88 58.54 1qis h LEU 61 Cb 0.72 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1qis h LEU 61 CO 0.05 0.76 -1.11 -0.33 -0.34 0.00 0.00 178.44 177.48 1qis h GLU 62 N 1.16 0.27 0.00 1.25 4.39 -0.91 -3.39 114.58 117.34 1qis h GLU 62 Ca 0.30 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1qis h GLU 62 Cb -0.06 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1qis h GLU 62 CO -0.06 1.14 -1.48 0.09 -1.16 0.00 0.00 179.01 177.54 1qis n ASN 63 N -3.58 0.47 -4.72 1.42 4.13 0.19 -4.96 115.26 108.20 1qis n ASN 63 Ca -0.07 -0.39 -0.42 0.00 1.68 0.00 0.00 54.58 55.38 1qis n ASN 63 Cb 0.95 1.44 -0.03 0.00 -1.54 0.00 0.00 39.78 40.60 1qis n ASN 63 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1qis s GLU 64 N -3.28 4.44 0.00 3.52 2.02 -0.13 -4.93 118.70 120.34 1qis s GLU 64 Ca -0.00 1.84 0.07 0.00 0.02 0.00 0.00 54.97 56.89 1qis s GLU 64 Cb 0.15 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 31.06 1qis s GLU 64 CO 0.88 -0.21 0.43 0.25 0.02 0.00 0.00 175.26 176.62 1qis n THR 66 N 3.41 0.00 -3.58 3.63 -2.24 -1.26 -5.00 114.28 109.24 1qis n THR 66 Ca 0.08 -0.40 -0.12 0.00 -2.27 0.00 0.00 64.05 61.33 1qis n THR 66 Cb 0.45 1.05 -0.05 0.00 -2.10 0.00 0.00 70.33 69.69 1qis n THR 66 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1qis s THR 67 N -1.25 0.04 -0.18 4.28 -1.32 -1.26 -5.02 115.64 110.93 1qis s THR 67 Ca 0.04 -0.32 0.15 0.00 -1.21 0.00 0.00 61.69 60.35 1qis s THR 67 Cb 0.05 -1.03 0.41 0.00 -1.51 0.00 0.00 72.50 70.42 1qis s THR 67 CO 0.20 -0.18 1.28 0.29 -2.21 0.00 0.00 174.62 174.00 1qis n LYS 68 N 0.10 1.81 -1.69 7.08 4.76 -1.26 -5.06 118.16 123.90 1qis n LYS 68 Ca -0.17 -2.89 -0.41 0.00 -2.87 0.00 0.00 58.31 51.97 1qis n LYS 68 Cb 0.62 -1.66 0.01 0.00 -1.84 0.00 0.00 35.03 32.16 1qis n LYS 68 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1qis n ASN 69 N -1.11 2.53 -4.52 4.39 5.15 -1.26 -4.87 115.26 115.57 1qis n ASN 69 Ca 0.21 1.13 -0.47 0.00 -0.60 0.00 0.00 54.58 54.84 1qis n ASN 69 Cb 0.77 -1.49 -0.03 0.00 -0.53 0.00 0.00 39.78 38.51 1qis n ASN 69 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1qis n TYR 70 N -0.07 0.63 -1.99 1.20 4.01 -1.26 -4.99 117.16 114.69 1qis n TYR 70 Ca 0.06 0.81 -0.28 0.00 -0.16 0.00 0.00 57.90 58.33 1qis n TYR 70 Cb 0.39 -2.15 0.09 0.00 -0.31 0.00 0.00 39.34 37.36 1qis n TYR 70 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1qis s LEU 71 N 1.34 2.60 0.87 7.72 1.43 -1.26 -5.05 118.68 126.33 1qis s LEU 71 Ca 0.65 0.66 -0.12 0.00 -1.03 0.00 0.00 54.13 54.29 1qis s LEU 71 Cb -0.84 -3.17 0.11 0.00 0.03 0.00 0.00 46.19 42.32 1qis s LEU 71 CO 0.57 -1.86 1.11 -0.83 0.23 0.00 0.00 176.35 175.57 1qis s GLY 72 N -4.58 1.60 0.34 -3.19 0.00 -1.26 -4.87 107.32 95.36 1qis s GLY 72 Ca 0.62 -0.29 0.09 0.00 0.00 0.00 0.00 44.72 45.14 1qis s GLY 72 CO 0.48 0.21 1.80 -2.22 0.00 0.00 0.00 173.10 173.37 1qis h ILE 73 N -1.38 0.71 -0.09 0.90 2.04 -1.97 0.34 117.51 118.06 1qis h ILE 73 Ca -0.49 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1qis h ILE 73 Cb 1.30 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1qis h ILE 73 CO 0.59 0.12 0.00 -0.90 0.00 0.00 0.00 178.15 177.96 1qis n ASP 74 N -4.67 1.18 0.00 1.72 5.75 -1.26 -4.25 116.55 115.01 1qis n ASP 74 Ca 0.22 -1.54 0.00 0.00 -0.01 0.00 0.00 54.79 53.45 1qis n ASP 74 Cb 0.60 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 1qis n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qis n GLY 75 N 1.07 -1.38 3.64 6.12 0.00 0.11 -1.13 105.19 113.60 1qis n GLY 75 Ca 0.17 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 1qis n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qis s ILE 76 N 0.00 4.13 0.27 -0.61 1.01 -1.26 -4.40 121.20 120.33 1qis s ILE 76 Ca 0.00 1.29 -0.01 0.00 0.00 0.00 0.00 60.65 61.93 1qis s ILE 76 Cb 0.00 -4.09 0.25 0.00 0.01 0.00 0.00 42.46 38.63 1qis s ILE 76 CO 0.00 -0.40 1.73 -0.65 0.00 0.00 0.00 174.94 175.63 1qis h PRO 77 N 9.22 0.49 -0.48 2.79 0.11 -1.98 -0.10 132.00 142.06 1qis h PRO 77 Ca -0.27 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.75 1qis h PRO 77 Cb 1.10 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1qis h PRO 77 CO 1.02 0.33 0.05 0.93 -0.21 0.00 0.00 178.00 180.12 1qis h GLU 78 N 0.51 0.76 -0.39 1.05 3.07 -1.99 -1.29 114.58 116.29 1qis h GLU 78 Ca 0.48 -0.18 0.01 0.00 -0.50 0.00 0.00 59.36 59.17 1qis h GLU 78 Cb 0.76 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.55 1qis h GLU 78 CO -0.42 0.74 0.25 0.35 -1.40 0.00 0.00 179.01 178.53 1qis h PHE 79 N 0.72 0.48 -0.64 4.33 3.57 -1.36 -0.38 116.94 123.67 1qis h PHE 79 Ca 0.15 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1qis h PHE 79 Cb 0.37 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1qis h PHE 79 CO 0.02 0.30 0.31 0.78 -2.23 0.00 0.00 178.31 177.49 1qis h GLY 80 N 0.52 0.99 0.86 2.40 0.00 -0.92 -1.08 103.07 105.84 1qis h GLY 80 Ca 0.15 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 1qis h GLY 80 CO -0.04 0.46 0.05 3.21 0.00 0.00 0.00 176.54 180.23 1qis h ARG 81 N 0.88 0.35 -0.62 4.80 3.08 -1.02 -1.90 114.38 119.95 1qis h ARG 81 Ca 0.22 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 1qis h ARG 81 Cb 0.11 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 1qis h ARG 81 CO -0.03 0.47 0.30 0.00 -1.07 0.00 0.00 179.97 179.64 1qis h THR 83 N 0.88 1.18 -0.54 0.00 2.02 -1.01 -2.04 112.91 113.40 1qis h THR 83 Ca 0.22 -0.55 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 1qis h THR 83 Cb 0.09 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1qis h THR 83 CO -0.03 0.18 0.22 1.56 0.37 0.00 0.00 175.52 177.83 1qis h GLN 84 N 0.28 0.78 -0.42 6.66 4.20 -1.03 -1.34 115.11 124.24 1qis h GLN 84 Ca 0.09 -0.11 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 1qis h GLN 84 Cb 0.19 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1qis h GLN 84 CO -0.01 0.63 -0.10 0.93 -0.67 0.00 0.00 178.83 179.62 1qis h GLU 85 N 0.77 0.80 -0.65 1.46 5.08 -1.28 -0.17 114.58 120.59 1qis h GLU 85 Ca 0.19 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1qis h GLU 85 Cb 0.14 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1qis h GLU 85 CO -0.02 0.92 0.39 -0.07 -1.00 0.00 0.00 179.01 179.23 1qis h LEU 86 N 0.62 0.78 0.01 1.33 3.38 -0.99 -0.44 115.31 120.00 1qis h LEU 86 Ca 0.11 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1qis h LEU 86 Cb 0.63 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1qis h LEU 86 CO 0.04 0.62 -0.01 -0.07 0.09 0.00 0.00 178.44 179.11 1qis h LEU 87 N 0.88 -0.01 0.00 1.67 3.38 -1.12 -3.39 115.31 116.72 1qis h LEU 87 Ca 0.23 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1qis h LEU 87 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1qis h LEU 87 CO -0.04 0.57 -1.85 0.49 0.09 0.00 0.00 178.44 177.70 1qis n PHE 88 N -4.82 0.00 0.00 1.13 3.72 -0.09 -4.72 117.46 112.69 1qis n PHE 88 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1qis n PHE 88 Cb 0.29 -0.43 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 1qis n PHE 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qis n GLY 89 N 1.39 2.80 0.22 1.37 0.00 -0.17 -4.59 105.19 106.21 1qis n GLY 89 Ca -0.03 -1.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 1qis n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qis h LYS 90 N 0.00 -0.29 -0.82 1.61 1.57 -1.90 -2.85 116.57 113.90 1qis h LYS 90 Ca 0.00 0.02 -0.25 0.00 -1.87 0.00 0.00 60.65 58.55 1qis h LYS 90 Cb 0.00 0.07 -0.15 0.00 0.08 0.00 0.00 32.23 32.23 1qis h LYS 90 CO 0.00 -0.20 0.32 0.41 -0.57 0.00 0.00 179.45 179.41 1qis n GLY 91 N -1.32 3.63 3.67 3.86 0.00 -1.26 -4.98 105.19 108.80 1qis n GLY 91 Ca -0.05 -0.93 -0.44 0.00 0.00 0.00 0.00 46.02 44.59 1qis n GLY 91 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qis n SER 92 N -0.26 2.65 -0.09 1.61 2.88 -1.08 -4.85 113.62 114.48 1qis n SER 92 Ca 0.41 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 59.12 1qis n SER 92 Cb 1.37 -1.44 0.29 0.00 -0.75 0.00 0.00 64.21 63.68 1qis n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qis h ALA 93 N 3.48 1.43 -0.91 -1.46 0.00 -1.92 -1.15 119.26 118.73 1qis h ALA 93 Ca -0.45 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.40 1qis h ALA 93 Cb 1.28 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 1qis h ALA 93 CO 0.70 0.44 0.59 -0.07 0.00 0.00 0.00 179.25 180.92 1qis h LEU 94 N 0.73 0.93 -0.06 0.00 4.07 -1.95 0.26 115.31 119.29 1qis h LEU 94 Ca 0.18 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.99 1qis h LEU 94 Cb 0.11 -0.19 0.01 0.00 1.08 0.00 0.00 40.66 41.67 1qis h LEU 94 CO -0.02 0.60 -0.58 0.40 -1.08 0.00 0.00 178.44 177.76 1qis h ILE 95 N 1.05 1.38 0.00 1.22 2.04 -1.75 -2.19 117.51 119.27 1qis h ILE 95 Ca 0.39 -1.95 -0.07 0.00 1.00 0.00 0.00 64.86 64.22 1qis h ILE 95 Cb 0.17 2.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 1qis h ILE 95 CO -0.14 0.58 -0.35 0.78 0.00 0.00 0.00 178.15 179.02 1qis h ASN 96 N 0.06 0.00 -0.24 1.72 -0.26 -0.70 -2.77 115.58 113.39 1qis h ASN 96 Ca -0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.68 1qis h ASN 96 Cb 1.25 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.51 1qis h ASN 96 CO 0.12 0.35 0.00 0.47 -1.06 0.00 0.00 177.43 177.31 1qis n ASP 97 N -3.70 2.54 -3.77 5.81 8.00 0.87 -4.95 116.55 121.34 1qis n ASP 97 Ca -0.01 -1.85 -0.26 0.00 0.71 0.00 0.00 54.79 53.38 1qis n ASP 97 Cb 0.45 -0.15 0.04 0.00 -0.02 0.00 0.00 41.12 41.44 1qis n ASP 97 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1qis n LYS 98 N 0.90 -5.92 0.00 -1.24 5.02 -1.05 -4.17 118.16 111.71 1qis n LYS 98 Ca 0.17 0.66 0.12 0.00 -2.02 0.00 0.00 58.31 57.24 1qis n LYS 98 Cb 0.47 -5.51 0.18 0.00 -0.02 0.00 0.00 35.03 30.15 1qis n LYS 98 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1qis n ARG 99 N -4.62 0.03 -5.14 1.97 1.74 -0.83 -3.78 116.66 106.03 1qis n ARG 99 Ca -0.07 -0.02 -0.31 0.00 -0.77 0.00 0.00 57.85 56.68 1qis n ARG 99 Cb 0.58 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.37 1qis n ARG 99 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qis s ALA 100 N -2.98 2.27 -0.05 7.54 0.00 -1.25 -1.81 121.76 125.48 1qis s ALA 100 Ca 0.11 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 50.96 1qis s ALA 100 Cb 0.17 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.70 1qis s ALA 100 CO 0.73 0.54 -0.11 1.03 0.00 0.00 0.00 175.76 177.95 1qis s ARG 101 N -0.80 1.34 -0.10 0.00 1.81 -0.26 -4.98 118.95 115.95 1qis s ARG 101 Ca 0.11 -0.36 0.02 0.00 -1.72 0.00 0.00 55.73 53.78 1qis s ARG 101 Cb -0.10 -1.17 -0.01 0.00 -0.45 0.00 0.00 34.95 33.21 1qis s ARG 101 CO 0.00 0.07 -0.17 0.99 -0.68 0.00 0.00 175.30 175.51 1qis s THR 102 N 0.47 2.69 -0.15 0.02 2.01 -1.26 -0.78 115.64 118.64 1qis s THR 102 Ca -0.09 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.07 1qis s THR 102 Cb -0.13 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 1qis s THR 102 CO 0.02 0.55 -0.03 0.00 -0.69 0.00 0.00 174.62 174.46 1qis s ALA 103 N 0.16 3.03 0.13 7.40 0.00 -0.21 -4.88 121.76 127.39 1qis s ALA 103 Ca -0.10 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 50.75 1qis s ALA 103 Cb -0.16 -1.57 -0.07 0.00 0.00 0.00 0.00 23.12 21.32 1qis s ALA 103 CO 0.06 0.22 1.20 -1.14 0.00 0.00 0.00 175.76 176.10 1qis s GLN 104 N 0.33 4.47 0.19 0.00 0.74 -0.29 -1.29 119.66 123.81 1qis s GLN 104 Ca -0.04 1.82 0.03 0.00 0.05 0.00 0.00 55.36 57.23 1qis s GLN 104 Cb -0.14 -3.29 -0.05 0.00 1.10 0.00 0.00 33.01 30.63 1qis s GLN 104 CO 0.03 -0.16 -0.04 0.95 -0.55 0.00 0.00 175.29 175.53 1qis s THR 105 N 0.45 0.98 -1.13 -0.34 -4.23 -0.38 -4.58 115.64 106.42 1qis s THR 105 Ca 0.55 -2.03 -0.22 0.00 -1.18 0.00 0.00 61.69 58.82 1qis s THR 105 Cb -0.31 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.42 1qis s THR 105 CO 0.33 -0.51 1.76 -2.16 -0.54 0.00 0.00 174.62 173.50 1qis s PRO 106 N -3.84 3.23 0.03 3.99 0.04 -1.26 -1.84 135.00 135.34 1qis s PRO 106 Ca 0.23 -1.26 0.00 0.00 0.04 0.00 0.00 61.00 60.01 1qis s PRO 106 Cb 0.05 -5.33 0.00 0.00 0.04 0.00 0.00 34.50 29.26 1qis s PRO 106 CO 0.05 -2.92 0.00 0.41 0.04 0.00 0.00 177.00 174.58 1qis n GLY 107 N 6.12 -1.54 0.18 0.56 0.00 -1.06 -2.68 105.19 106.77 1qis n GLY 107 Ca 0.43 -1.50 0.03 0.00 0.00 0.00 0.00 46.02 44.97 1qis n GLY 107 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qis h GLY 108 N -0.09 0.00 0.83 -0.02 0.00 -1.77 -2.57 103.07 99.45 1qis h GLY 108 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1qis h GLY 108 CO 0.00 0.00 -0.03 -0.84 0.00 0.00 0.00 176.54 175.67 1qis h THR 109 N 0.00 1.27 -0.64 4.70 2.02 -1.91 -1.44 112.91 116.92 1qis h THR 109 Ca -0.00 -0.98 0.02 0.00 0.77 0.00 0.00 66.41 66.21 1qis h THR 109 Cb 0.82 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 1qis h THR 109 CO 0.06 0.30 0.42 1.23 0.37 0.00 0.00 175.52 177.90 1qis h GLY 110 N 0.17 0.88 1.07 2.16 0.00 -1.39 -0.43 103.07 105.53 1qis h GLY 110 Ca 0.06 -0.32 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 1qis h GLY 110 CO 0.02 0.29 -0.10 0.00 0.00 0.00 0.00 176.54 176.75 1qis h ALA 111 N 1.61 0.72 -0.54 3.60 0.00 -1.11 -0.90 119.26 122.64 1qis h ALA 111 Ca 0.25 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1qis h ALA 111 Cb -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1qis h ALA 111 CO -0.06 0.62 0.02 -0.07 0.00 0.00 0.00 179.25 179.76 1qis h LEU 112 N 0.86 0.92 -0.54 0.00 3.38 -0.61 -1.32 115.31 118.00 1qis h LEU 112 Ca 0.14 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1qis h LEU 112 Cb 0.66 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1qis h LEU 112 CO 0.05 0.99 0.15 -0.09 0.09 0.00 0.00 178.44 179.63 1qis h ARG 113 N 0.82 0.85 -0.76 1.13 9.65 -0.96 -0.51 114.38 124.59 1qis h ARG 113 Ca 0.16 -0.20 -0.04 0.00 -1.10 0.00 0.00 59.98 58.80 1qis h ARG 113 Cb 0.51 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.94 1qis h ARG 113 CO 0.02 0.80 0.32 0.28 2.80 0.00 0.00 179.97 184.19 1qis h VAL 114 N 0.76 1.25 -0.57 0.20 2.07 -1.08 -0.31 116.25 118.57 1qis h VAL 114 Ca 0.17 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 1qis h VAL 114 Cb 0.31 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1qis h VAL 114 CO -0.00 0.32 0.11 0.00 0.02 0.00 0.00 177.57 178.02 1qis h ALA 115 N 1.16 0.76 0.06 1.67 0.00 -1.02 -1.52 119.26 120.37 1qis h ALA 115 Ca 0.26 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1qis h ALA 115 Cb 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1qis h ALA 115 CO -0.02 0.49 -0.03 0.00 0.00 0.00 0.00 179.25 179.68 1qis h ALA 116 N 1.01 -0.09 -0.45 0.00 0.00 -0.70 -0.57 119.26 118.46 1qis h ALA 116 Ca 0.18 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1qis h ALA 116 Cb 0.39 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1qis h ALA 116 CO 0.01 -0.47 0.22 -0.44 0.00 0.00 0.00 179.25 178.57 1qis h ASP 117 N -0.24 0.32 -0.42 0.00 3.32 -1.01 0.62 116.42 119.00 1qis h ASP 117 Ca -0.01 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.08 1qis h ASP 117 Cb 0.21 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1qis h ASP 117 CO 0.01 0.23 0.27 0.15 -1.72 0.00 0.00 179.24 178.18 1qis h PHE 118 N 0.45 0.50 -0.38 4.55 3.57 -1.19 -1.62 116.94 122.82 1qis h PHE 118 Ca 0.20 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 1qis h PHE 118 Cb 0.11 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1qis h PHE 118 CO -0.10 0.31 0.03 -0.07 -2.23 0.00 0.00 178.31 176.25 1qis h LEU 119 N 0.54 0.62 -0.74 0.59 3.38 -0.75 -0.83 115.31 118.13 1qis h LEU 119 Ca 0.16 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1qis h LEU 119 Cb -0.04 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1qis h LEU 119 CO -0.05 0.75 0.40 0.00 0.09 0.00 0.00 178.44 179.63 1qis h ALA 120 N 0.89 0.95 0.00 1.53 0.00 -0.78 -2.08 119.26 119.77 1qis h ALA 120 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qis h ALA 120 Cb 0.41 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1qis h ALA 120 CO 0.01 0.47 -0.86 0.36 0.00 0.00 0.00 179.25 179.23 1qis n LYS 121 N -4.45 0.38 0.00 0.00 2.85 -0.62 -4.49 118.16 111.82 1qis n LYS 121 Ca 0.06 0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.39 1qis n LYS 121 Cb 0.10 -1.69 0.00 0.00 -0.65 0.00 0.00 35.03 32.79 1qis n LYS 121 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1qis n ASN 122 N -2.21 0.50 -4.00 -5.58 4.13 -0.32 -5.07 115.26 102.71 1qis n ASN 122 Ca 0.02 -0.76 -0.26 0.00 1.68 0.00 0.00 54.58 55.26 1qis n ASN 122 Cb 0.47 0.36 -0.08 0.00 -1.54 0.00 0.00 39.78 38.99 1qis n ASN 122 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1qis s THR 123 N -0.36 0.48 -2.26 3.41 -4.23 -0.79 -5.02 115.64 106.87 1qis s THR 123 Ca 0.00 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.71 1qis s THR 123 Cb 0.00 -2.28 0.44 0.00 1.34 0.00 0.00 72.50 71.99 1qis s THR 123 CO 0.00 0.00 1.49 -1.54 -0.54 0.00 0.00 174.62 174.03 1qis n SER 124 N -1.47 1.92 -4.75 3.99 3.41 -1.26 -4.80 113.62 110.66 1qis n SER 124 Ca -0.06 -1.78 -0.41 0.00 -0.26 0.00 0.00 58.87 56.36 1qis n SER 124 Cb 0.64 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.43 1qis n SER 124 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qis s VAL 125 N -1.72 2.61 0.00 -3.33 1.01 -1.26 -4.90 120.40 112.81 1qis s VAL 125 Ca 0.32 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1qis s VAL 125 Cb 0.17 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1qis s VAL 125 CO 0.26 0.08 0.00 2.29 0.00 0.00 0.00 175.10 177.73 1qis n LYS 126 N 2.24 1.95 -4.17 2.72 -0.00 -1.26 -4.74 118.16 114.90 1qis n LYS 126 Ca 0.07 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.19 1qis n LYS 126 Cb 0.40 -0.15 -0.16 0.00 -0.00 0.00 0.00 35.03 35.13 1qis n LYS 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1qis s ARG 129 N -0.27 0.64 -0.10 -1.58 3.52 -1.26 -1.48 118.95 118.43 1qis s ARG 129 Ca 0.00 -0.14 0.03 0.00 -0.13 0.00 0.00 55.73 55.50 1qis s ARG 129 Cb 0.00 -0.66 0.00 0.00 -1.56 0.00 0.00 34.95 32.74 1qis s ARG 129 CO 0.00 0.01 -0.21 0.08 -0.81 0.00 0.00 175.30 174.37 1qis s VAL 133 N 0.48 1.83 -0.19 7.11 1.01 0.17 -1.64 120.40 129.17 1qis s VAL 133 Ca -0.06 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 60.91 1qis s VAL 133 Cb -0.10 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 1qis s VAL 133 CO -0.00 0.51 0.28 0.26 0.00 0.00 0.00 175.10 176.15 1qis s TRP 134 N 0.47 3.41 0.07 5.22 0.52 0.50 -1.74 118.94 127.38 1qis s TRP 134 Ca -0.17 0.51 0.08 0.00 0.02 0.00 0.00 56.10 56.54 1qis s TRP 134 Cb -0.17 -2.36 -0.03 0.00 -1.15 0.00 0.00 33.47 29.76 1qis s TRP 134 CO 0.07 0.15 -0.21 0.08 0.02 0.00 0.00 176.95 177.05 1qis s VAL 135 N 0.78 1.73 0.75 4.03 1.01 -0.56 -0.12 120.40 128.02 1qis s VAL 135 Ca 0.15 -1.36 -0.13 0.00 0.00 0.00 0.00 61.98 60.64 1qis s VAL 135 Cb -0.13 -1.53 0.05 0.00 0.00 0.00 0.00 36.38 34.76 1qis s VAL 135 CO 0.04 0.10 1.12 -0.94 0.00 0.00 0.00 175.10 175.43 1qis s SER 136 N -1.50 4.47 -0.28 3.32 1.04 -1.26 -1.23 113.70 118.26 1qis s SER 136 Ca 0.07 2.00 0.01 0.00 0.48 0.00 0.00 55.95 58.51 1qis s SER 136 Cb -0.09 -2.55 0.06 0.00 0.10 0.00 0.00 66.02 63.54 1qis s SER 136 CO 0.03 -2.06 -0.06 0.21 0.98 0.00 0.00 173.24 172.35 1qis s ASN 137 N -2.85 4.67 0.75 7.02 3.04 0.20 -3.06 114.94 124.72 1qis s ASN 137 Ca 0.65 -1.34 -0.06 0.00 0.04 0.00 0.00 52.86 52.15 1qis s ASN 137 Cb -0.20 -1.63 0.11 0.00 -1.54 0.00 0.00 41.25 37.98 1qis s ASN 137 CO 0.50 -0.23 1.06 -2.16 -3.04 0.00 0.00 177.10 173.23 1qis s PRO 138 N 1.17 1.75 0.30 0.43 0.04 -1.26 -3.09 135.00 134.35 1qis s PRO 138 Ca -0.07 -0.56 -0.03 0.00 0.04 0.00 0.00 61.00 60.38 1qis s PRO 138 Cb -0.20 -2.17 -0.01 0.00 0.04 0.00 0.00 34.50 32.17 1qis s PRO 138 CO -0.03 -1.51 0.40 0.45 0.04 0.00 0.00 177.00 176.35 1qis s SER 139 N -4.65 0.74 0.09 6.66 0.15 -1.17 -4.70 113.70 110.82 1qis s SER 139 Ca 0.65 -1.42 -0.32 0.00 0.70 0.00 0.00 55.95 55.56 1qis s SER 139 Cb -0.08 0.59 -0.11 0.00 -1.71 0.00 0.00 66.02 64.72 1qis s SER 139 CO 0.46 -1.17 1.84 1.87 1.20 0.00 0.00 173.24 177.43 1qis n TRP 140 N -0.50 2.55 -0.32 3.44 -0.00 -0.97 -4.49 117.44 117.15 1qis n TRP 140 Ca 0.02 -0.12 0.28 0.00 -0.00 0.00 0.00 57.50 57.67 1qis n TRP 140 Cb 0.62 -2.71 0.60 0.00 -0.00 0.00 0.00 31.31 29.82 1qis n TRP 140 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 1qis h PRO 141 N 8.60 0.23 0.00 5.87 0.11 -1.99 -2.13 132.00 142.69 1qis h PRO 141 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1qis h PRO 141 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1qis h PRO 141 CO 0.94 0.15 0.00 -1.71 -0.21 0.00 0.00 178.00 177.17 1qis n ASN 142 N -4.47 0.00 0.04 -2.05 5.15 -1.26 -3.99 115.26 108.68 1qis n ASN 142 Ca 0.25 0.03 -0.12 0.00 -0.60 0.00 0.00 54.58 54.14 1qis n ASN 142 Cb 1.02 -0.33 -0.07 0.00 -0.53 0.00 0.00 39.78 39.87 1qis n ASN 142 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1qis h HIS 143 N 0.00 -0.02 -0.51 1.20 3.86 -1.76 -2.10 115.15 115.82 1qis h HIS 143 Ca 0.00 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.25 1qis h HIS 143 Cb 0.29 0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.72 1qis h HIS 143 CO 0.00 0.05 0.27 -0.22 0.86 0.00 0.00 177.93 178.89 1qis h LYS 144 N -0.08 0.52 -0.49 2.45 3.64 -1.80 -2.12 116.57 118.69 1qis h LYS 144 Ca -0.00 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1qis h LYS 144 Cb 0.08 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1qis h LYS 144 CO 0.00 0.34 0.28 1.03 -2.27 0.00 0.00 179.45 178.83 1qis h SER 145 N 0.53 0.44 -0.18 4.20 0.87 -1.74 0.16 113.55 117.83 1qis h SER 145 Ca 0.22 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 1qis h SER 145 Cb 0.10 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1qis h SER 145 CO -0.14 0.31 -0.00 0.58 -0.53 0.00 0.00 176.83 177.05 1qis h VAL 146 N 0.55 1.25 -0.49 2.23 2.07 -0.95 -2.09 116.25 118.83 1qis h VAL 146 Ca 0.20 -0.86 -0.11 0.00 0.82 0.00 0.00 66.70 66.76 1qis h VAL 146 Cb 0.05 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1qis h VAL 146 CO -0.10 0.26 -0.12 -0.26 0.02 0.00 0.00 177.57 177.36 1qis h PHE 147 N 0.07 1.06 -0.31 1.57 0.04 -1.26 -2.44 116.94 115.67 1qis h PHE 147 Ca 0.05 -0.23 -0.03 0.00 2.80 0.00 0.00 57.97 60.56 1qis h PHE 147 Cb 0.38 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 1qis h PHE 147 CO 0.03 1.02 0.07 -0.91 -0.60 0.00 0.00 178.31 177.93 1qis h ASN 148 N 0.79 0.41 -0.64 2.17 2.35 -0.68 -1.78 115.58 118.21 1qis h ASN 148 Ca 0.12 -0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1qis h ASN 148 Cb 0.68 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.91 1qis h ASN 148 CO 0.05 0.42 0.42 0.28 -1.65 0.00 0.00 177.43 176.95 1qis h SER 149 N 0.44 0.68 0.11 5.81 0.02 -0.87 -0.94 113.55 118.80 1qis h SER 149 Ca 0.11 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1qis h SER 149 Cb 0.18 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1qis h SER 149 CO -0.00 0.48 -0.03 0.00 -1.14 0.00 0.00 176.83 176.13 1qis n ALA 150 N -2.45 2.67 -1.00 3.77 0.00 -0.85 -4.93 120.51 117.73 1qis n ALA 150 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1qis n ALA 150 Cb 0.10 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1qis n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qis n GLY 151 N 1.14 0.63 3.79 0.00 0.00 -0.36 -4.81 105.19 105.59 1qis n GLY 151 Ca 0.20 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 1qis n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qis s LEU 152 N 0.00 3.87 0.06 0.99 1.43 -0.73 -5.00 118.68 119.30 1qis s LEU 152 Ca 0.00 0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 1qis s LEU 152 Cb 0.00 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1qis s LEU 152 CO 0.00 0.17 0.23 -0.70 0.23 0.00 0.00 176.35 176.27 1qis s GLU 154 N -2.44 3.46 -0.19 1.70 2.56 -0.55 -3.70 118.70 119.55 1qis s GLU 154 Ca 0.30 -0.38 -0.06 0.00 0.00 0.00 0.00 54.97 54.83 1qis s GLU 154 Cb -0.12 -3.02 -0.03 0.00 2.00 0.00 0.00 34.13 32.95 1qis s GLU 154 CO 0.23 0.60 0.02 0.08 -0.56 0.00 0.00 175.26 175.63 1qis s VAL 155 N -1.51 4.34 0.13 3.70 1.01 -1.26 -0.66 120.40 126.15 1qis s VAL 155 Ca 0.35 -0.19 0.10 0.00 0.00 0.00 0.00 61.98 62.24 1qis s VAL 155 Cb -0.13 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1qis s VAL 155 CO 0.27 0.45 -0.24 -0.13 0.00 0.00 0.00 175.10 175.45 1qis s ARG 156 N 0.62 1.54 0.02 2.72 1.81 -0.71 -4.98 118.95 119.98 1qis s ARG 156 Ca 0.01 -1.30 0.04 0.00 -1.72 0.00 0.00 55.73 52.75 1qis s ARG 156 Cb -0.14 -1.97 -0.03 0.00 -0.45 0.00 0.00 34.95 32.36 1qis s ARG 156 CO 0.02 0.46 -0.06 -1.21 -0.68 0.00 0.00 175.30 173.83 1qis s GLU 157 N -2.14 2.52 -0.03 3.54 2.02 -1.26 -1.50 118.70 121.85 1qis s GLU 157 Ca 0.16 -0.76 0.06 0.00 0.02 0.00 0.00 54.97 54.45 1qis s GLU 157 Cb -0.10 -2.50 -0.02 0.00 0.10 0.00 0.00 34.13 31.61 1qis s GLU 157 CO 0.08 0.59 -0.20 1.52 0.02 0.00 0.00 175.26 177.27 1qis s TYR 158 N -1.05 2.53 0.65 1.61 -0.85 -0.37 -4.92 117.35 114.95 1qis s TYR 158 Ca 0.18 -0.29 -0.18 0.00 -0.52 0.00 0.00 57.07 56.27 1qis s TYR 158 Cb -0.11 -1.57 -0.01 0.00 0.38 0.00 0.00 41.96 40.65 1qis s TYR 158 CO 0.09 0.08 1.26 0.00 -1.52 0.00 0.00 175.55 175.46 1qis n ALA 159 N 2.36 1.00 0.12 9.51 0.00 -1.26 -0.62 120.51 131.62 1qis n ALA 159 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1qis n ALA 159 Cb 0.52 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1qis n ALA 159 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1qis n TYR 160 N -1.97 -2.99 -3.36 0.00 9.36 -1.21 -3.76 117.16 113.22 1qis n TYR 160 Ca 0.16 0.72 -0.38 0.00 3.32 0.00 0.00 57.90 61.72 1qis n TYR 160 Cb 0.48 1.87 -0.06 0.00 -0.63 0.00 0.00 39.34 41.00 1qis n TYR 160 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1qis s TYR 161 N -1.57 3.59 -0.57 2.98 5.04 -1.18 -0.12 117.35 125.52 1qis s TYR 161 Ca 0.00 0.94 -0.16 0.00 -2.44 0.00 0.00 57.07 55.41 1qis s TYR 161 Cb 0.00 -2.47 0.14 0.00 0.35 0.00 0.00 41.96 39.97 1qis s TYR 161 CO 0.00 0.33 0.53 0.34 -1.34 0.00 0.00 175.55 175.41 1qis s ASP 162 N 0.04 6.24 0.51 4.32 -1.08 0.14 -4.81 116.67 122.04 1qis s ASP 162 Ca 0.25 -1.86 0.23 0.00 -0.52 0.00 0.00 52.55 50.65 1qis s ASP 162 Cb -0.16 -2.21 1.37 0.00 -1.46 0.00 0.00 42.92 40.46 1qis s ASP 162 CO 0.12 -0.84 2.09 0.00 0.52 0.00 0.00 175.17 177.05 1qis h ALA 163 N 8.80 1.50 0.10 3.66 0.00 -1.96 0.34 119.26 131.69 1qis h ALA 163 Ca -0.26 -0.10 -0.22 0.00 0.00 0.00 0.00 54.91 54.33 1qis h ALA 163 Cb 1.09 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.89 1qis h ALA 163 CO 1.02 0.14 -0.92 0.93 0.00 0.00 0.00 179.25 180.41 1qis h GLU 164 N 0.00 0.46 -0.03 0.00 5.08 -1.96 -3.33 114.58 114.81 1qis h GLU 164 Ca -0.00 -0.62 0.00 0.00 -1.00 0.00 0.00 59.36 57.74 1qis h GLU 164 Cb 0.25 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1qis h GLU 164 CO 0.01 1.26 -0.12 0.09 -1.00 0.00 0.00 179.01 179.25 1qis n ASN 165 N -4.03 2.69 -3.69 1.42 3.02 -1.19 -4.96 115.26 108.53 1qis n ASN 165 Ca -0.13 -1.85 -0.29 0.00 -0.03 0.00 0.00 54.58 52.28 1qis n ASN 165 Cb 0.84 0.12 0.04 0.00 -0.61 0.00 0.00 39.78 40.17 1qis n ASN 165 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1qis n HIS 166 N 0.95 -1.91 -3.96 3.10 8.25 0.11 -4.97 115.22 116.78 1qis n HIS 166 Ca 0.13 0.53 -0.08 0.00 -0.26 0.00 0.00 57.72 58.04 1qis n HIS 166 Cb 0.56 -3.58 -0.08 0.00 1.12 0.00 0.00 29.99 28.00 1qis n HIS 166 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1qis s THR 167 N -3.53 0.17 -0.26 1.59 -1.32 -0.48 -4.96 115.64 106.85 1qis s THR 167 Ca 0.39 -1.45 -0.29 0.00 -1.21 0.00 0.00 61.69 59.13 1qis s THR 167 Cb -0.13 -1.44 0.00 0.00 -1.51 0.00 0.00 72.50 69.42 1qis s THR 167 CO 0.85 -0.77 1.18 -0.22 -2.21 0.00 0.00 174.62 173.45 1qis s LEU 168 N -2.89 4.00 -1.13 9.08 2.96 -1.26 0.26 118.68 129.70 1qis s LEU 168 Ca 0.07 1.29 -0.16 0.00 -0.22 0.00 0.00 54.13 55.11 1qis s LEU 168 Cb 0.06 -3.54 0.14 0.00 0.50 0.00 0.00 46.19 43.35 1qis s LEU 168 CO -0.10 -0.88 1.39 -0.62 -1.32 0.00 0.00 176.35 174.82 1qis s ASP 169 N 2.00 6.88 0.20 3.68 -1.08 0.83 -4.88 116.67 124.31 1qis s ASP 169 Ca 0.51 -2.57 -0.09 0.00 -0.52 0.00 0.00 52.55 49.88 1qis s ASP 169 Cb -0.16 -2.43 0.13 0.00 -1.46 0.00 0.00 42.92 39.00 1qis s ASP 169 CO 0.16 -0.94 1.76 0.15 0.52 0.00 0.00 175.17 176.82 1qis h PHE 170 N 7.84 1.14 -0.56 -5.34 3.57 -1.92 -1.06 116.94 120.60 1qis h PHE 170 Ca 0.28 -0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 1qis h PHE 170 Cb 0.92 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1qis h PHE 170 CO 1.17 0.88 0.13 -0.44 -2.23 0.00 0.00 178.31 177.82 1qis h ASP 171 N 1.07 0.86 -0.58 0.41 3.32 -1.98 -0.67 116.42 118.85 1qis h ASP 171 Ca 0.24 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 1qis h ASP 171 Cb 0.23 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1qis h ASP 171 CO -0.02 0.88 0.12 0.00 -1.72 0.00 0.00 179.24 178.50 1qis h ALA 172 N 1.02 1.05 0.15 3.45 0.00 -1.88 0.74 119.26 123.79 1qis h ALA 172 Ca 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1qis h ALA 172 Cb 0.36 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1qis h ALA 172 CO 0.00 0.62 -0.16 1.25 0.00 0.00 0.00 179.25 180.96 1qis h LEU 173 N 0.93 -0.42 -0.21 0.00 6.46 -0.77 0.28 115.31 121.58 1qis h LEU 173 Ca 0.19 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 58.01 1qis h LEU 173 Cb 0.37 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.43 1qis h LEU 173 CO 0.01 -0.24 0.09 0.40 -0.62 0.00 0.00 178.44 178.08 1qis h ILE 174 N -0.34 0.98 -0.23 4.05 1.08 -0.84 -1.77 117.51 120.44 1qis h ILE 174 Ca 0.00 -0.07 -0.05 0.00 -0.39 0.00 0.00 64.86 64.35 1qis h ILE 174 Cb 0.33 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 34.82 1qis h ILE 174 CO -0.05 0.04 -0.09 0.78 -0.69 0.00 0.00 178.15 178.14 1qis h ASN 175 N 0.21 0.34 -0.34 1.72 2.35 -0.67 -2.74 115.58 116.44 1qis h ASN 175 Ca 0.09 -0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 55.65 1qis h ASN 175 Cb 0.03 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1qis h ASN 175 CO -0.07 0.48 -0.24 0.28 -1.65 0.00 0.00 177.43 176.23 1qis h SER 176 N 0.34 0.81 0.79 5.81 0.02 -0.59 -3.07 113.55 117.65 1qis h SER 176 Ca 0.07 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1qis h SER 176 Cb 0.39 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1qis h SER 176 CO 0.02 1.07 0.00 0.18 -1.14 0.00 0.00 176.83 176.96 1qis n LEU 177 N -4.25 0.27 0.07 5.07 4.77 -0.70 -2.81 117.00 119.42 1qis n LEU 177 Ca -0.03 0.55 0.07 0.00 -0.03 0.00 0.00 56.01 56.58 1qis n LEU 177 Cb 0.45 -0.50 0.34 0.00 -2.33 0.00 0.00 43.42 41.38 1qis n LEU 177 CO 0.45 -0.27 0.73 0.59 -1.33 0.00 0.00 177.39 177.56 1qis n ASN 178 N -1.79 0.29 -0.12 -1.43 5.03 -1.06 -0.81 115.26 115.38 1qis n ASN 178 Ca 0.04 0.60 0.13 0.00 0.87 0.00 0.00 54.58 56.22 1qis n ASN 178 Cb 0.25 -0.65 0.39 0.00 -1.02 0.00 0.00 39.78 38.75 1qis n ASN 178 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1qis n GLU 179 N -1.85 0.45 -2.88 3.52 2.13 -1.12 -4.86 120.64 116.03 1qis n GLU 179 Ca 0.01 -0.24 -0.41 0.00 0.66 0.00 0.00 57.16 57.19 1qis n GLU 179 Cb 0.11 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.29 1qis n GLU 179 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1qis s ALA 180 N -2.71 3.28 0.61 4.31 0.00 0.01 -5.05 121.76 122.20 1qis s ALA 180 Ca 0.20 0.36 -0.05 0.00 0.00 0.00 0.00 51.96 52.47 1qis s ALA 180 Cb 0.19 -3.13 0.03 0.00 0.00 0.00 0.00 23.12 20.20 1qis s ALA 180 CO 0.58 -0.08 0.90 -0.65 0.00 0.00 0.00 175.76 176.50 1qis s GLN 181 N 0.50 2.65 0.15 0.00 -0.21 -1.26 -5.00 119.66 116.49 1qis s GLN 181 Ca 0.44 -0.24 -0.31 0.00 0.02 0.00 0.00 55.36 55.27 1qis s GLN 181 Cb -0.20 -2.30 -0.09 0.00 1.00 0.00 0.00 33.01 31.42 1qis s GLN 181 CO 0.24 -0.83 1.43 0.00 -2.12 0.00 0.00 175.29 174.01 1qis s ALA 182 N -3.00 3.64 0.00 6.09 0.00 -1.24 -2.22 121.76 125.03 1qis s ALA 182 Ca 0.56 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.72 1qis s ALA 182 Cb -0.11 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1qis s ALA 182 CO 0.43 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1qis n GLY 183 N 3.32 0.23 3.86 0.00 0.00 0.29 -5.00 105.19 107.90 1qis n GLY 183 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1qis n GLY 183 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qis s ASP 184 N -2.30 6.67 -0.07 1.61 1.11 -0.94 -4.52 116.67 118.22 1qis s ASP 184 Ca 0.00 1.25 -0.14 0.00 0.18 0.00 0.00 52.55 53.84 1qis s ASP 184 Cb 0.00 -2.37 -0.05 0.00 1.07 0.00 0.00 42.92 41.57 1qis s ASP 184 CO 0.00 -0.31 0.35 -0.69 1.18 0.00 0.00 175.17 175.70 1qis s VAL 185 N -2.18 5.19 -0.21 -1.27 1.01 -0.65 -1.30 120.40 120.98 1qis s VAL 185 Ca 0.53 0.69 0.01 0.00 0.00 0.00 0.00 61.98 63.22 1qis s VAL 185 Cb -0.10 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.65 1qis s VAL 185 CO 0.24 0.50 -0.15 -0.69 0.00 0.00 0.00 175.10 174.99 1qis s VAL 186 N -0.42 2.23 -0.14 2.92 1.01 -0.64 -0.37 120.40 124.98 1qis s VAL 186 Ca 0.21 -1.16 -0.28 0.00 0.00 0.00 0.00 61.98 60.75 1qis s VAL 186 Cb -0.15 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 1qis s VAL 186 CO 0.09 0.32 0.95 -0.22 0.00 0.00 0.00 175.10 176.23 1qis s LEU 187 N 1.24 4.20 -0.03 3.92 1.98 0.83 -1.76 118.68 129.07 1qis s LEU 187 Ca 0.00 1.38 0.07 0.00 -2.89 0.00 0.00 54.13 52.69 1qis s LEU 187 Cb -0.16 -3.44 -0.02 0.00 0.66 0.00 0.00 46.19 43.24 1qis s LEU 187 CO -0.09 -0.45 -0.23 -0.36 -1.89 0.00 0.00 176.35 173.32 1qis s PHE 188 N 2.19 2.42 0.25 5.38 0.08 0.22 -4.54 117.98 123.98 1qis s PHE 188 Ca 0.44 -0.37 -0.22 0.00 0.12 0.00 0.00 56.93 56.90 1qis s PHE 188 Cb -0.17 -1.53 -0.09 0.00 -0.57 0.00 0.00 43.02 40.66 1qis s PHE 188 CO 0.14 0.02 0.79 -1.01 -0.10 0.00 0.00 175.22 175.07 1qis s HIS 189 N -0.64 3.68 0.05 0.36 3.76 -1.26 -1.13 115.29 120.10 1qis s HIS 189 Ca 0.10 1.52 -0.34 0.00 -0.15 0.00 0.00 55.06 56.20 1qis s HIS 189 Cb -0.10 -2.72 -0.19 0.00 1.11 0.00 0.00 32.58 30.68 1qis s HIS 189 CO -0.01 0.31 1.46 0.78 -0.85 0.00 0.00 174.74 176.44 1qis h GLY 190 N 3.41 -1.20 -3.46 -2.22 0.00 -1.49 -3.46 103.07 94.65 1qis h GLY 190 Ca -0.47 0.45 0.17 0.00 0.00 0.00 0.00 47.33 47.47 1qis h GLY 190 CO 0.65 -0.44 0.62 -0.12 0.00 0.00 0.00 176.54 177.25 1qis s PHE 191 N -5.65 -0.25 -0.93 5.60 5.36 -1.26 -4.76 117.98 116.08 1qis s PHE 191 Ca -0.18 0.14 -0.04 0.00 -0.96 0.00 0.00 56.93 55.89 1qis s PHE 191 Cb 0.02 0.53 -0.04 0.00 -0.34 0.00 0.00 43.02 43.19 1qis s PHE 191 CO 0.56 -0.42 0.83 0.00 -1.46 0.00 0.00 175.22 174.73 1qis n HIS 193 N -2.70 2.03 -3.72 0.00 -0.00 -1.26 -4.79 115.22 104.78 1qis n HIS 193 Ca -0.05 0.36 -0.37 0.00 0.46 0.00 0.00 57.72 58.13 1qis n HIS 193 Cb 0.57 -2.49 -0.11 0.00 -0.12 0.00 0.00 29.99 27.84 1qis n HIS 193 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1qis s ASN 194 N 2.02 5.67 0.00 0.26 3.04 -1.26 0.28 114.94 124.95 1qis s ASN 194 Ca 0.87 -0.05 0.25 0.00 0.04 0.00 0.00 52.86 53.98 1qis s ASN 194 Cb -0.84 -2.03 0.53 0.00 -1.54 0.00 0.00 41.25 37.38 1qis s ASN 194 CO 0.49 0.01 1.44 -0.81 -3.04 0.00 0.00 177.10 175.19 1qis n PRO 195 N 4.67 1.76 0.08 0.43 -0.04 -1.26 -2.30 135.00 138.34 1qis n PRO 195 Ca -0.15 -1.28 -0.05 0.00 -0.04 0.00 0.00 63.50 61.98 1qis n PRO 195 Cb 0.52 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 1qis n PRO 195 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1qis h THR 196 N 3.14 1.54 0.00 0.52 1.35 -1.79 -3.37 112.91 114.30 1qis h THR 196 Ca 0.00 -3.03 0.00 0.00 -0.55 0.00 0.00 66.41 62.83 1qis h THR 196 Cb 0.73 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.82 1qis h THR 196 CO 0.00 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 176.73 1qis n GLY 197 N 1.15 0.87 3.64 5.82 0.00 0.14 -4.34 105.19 112.47 1qis n GLY 197 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1qis n GLY 197 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qis s ILE 198 N -3.56 5.21 0.18 -0.61 -1.09 -1.26 -0.93 121.20 119.14 1qis s ILE 198 Ca 0.00 0.59 0.10 0.00 -2.23 0.00 0.00 60.65 59.11 1qis s ILE 198 Cb 0.00 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 1qis s ILE 198 CO 0.00 0.22 -0.22 -1.81 -1.23 0.00 0.00 174.94 171.91 1qis s ASP 199 N 1.29 3.10 0.65 3.58 1.01 -1.26 -4.50 116.67 120.54 1qis s ASP 199 Ca 0.16 -0.86 -0.15 0.00 0.71 0.00 0.00 52.55 52.41 1qis s ASP 199 Cb -0.15 -0.21 -0.00 0.00 1.01 0.00 0.00 42.92 43.56 1qis s ASP 199 CO 0.08 0.06 1.12 -2.84 0.21 0.00 0.00 175.17 173.79 1qis s PRO 200 N -2.70 2.82 0.93 8.23 0.02 -1.26 -5.00 135.00 138.04 1qis s PRO 200 Ca 0.18 1.42 -0.13 0.00 0.02 0.00 0.00 61.00 62.50 1qis s PRO 200 Cb -0.07 -1.95 0.15 0.00 0.02 0.00 0.00 34.50 32.65 1qis s PRO 200 CO 0.08 -1.24 1.16 0.95 -0.33 0.00 0.00 177.00 177.62 1qis s THR 201 N -2.28 1.96 0.39 0.99 -4.23 -1.26 -4.80 115.64 106.42 1qis s THR 201 Ca 0.68 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 61.28 1qis s THR 201 Cb -0.21 -2.78 0.18 0.00 1.34 0.00 0.00 72.50 71.03 1qis s THR 201 CO 0.40 0.00 1.94 0.25 -0.54 0.00 0.00 174.62 176.67 1qis h LEU 202 N -1.57 0.27 -0.37 4.79 7.12 -1.99 -1.19 115.31 122.37 1qis h LEU 202 Ca -0.49 -0.05 -0.08 0.00 0.13 0.00 0.00 57.88 57.40 1qis h LEU 202 Cb 1.32 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 41.37 1qis h LEU 202 CO 0.57 0.37 -0.08 -0.33 -0.13 0.00 0.00 178.44 178.85 1qis h GLU 203 N 0.28 0.71 -0.68 1.25 5.08 -1.99 -1.42 114.58 117.81 1qis h GLU 203 Ca 0.06 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1qis h GLU 203 Cb 0.30 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1qis h GLU 203 CO 0.01 0.85 0.38 1.96 -1.00 0.00 0.00 179.01 181.21 1qis h GLN 204 N 0.51 0.94 -0.63 2.33 4.20 -1.77 -0.96 115.11 119.73 1qis h GLN 204 Ca 0.10 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 1qis h GLN 204 Cb 0.58 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1qis h GLN 204 CO 0.03 0.69 0.06 -1.49 -0.67 0.00 0.00 178.83 177.45 1qis h TRP 205 N 0.95 1.14 -0.42 2.96 4.06 -0.97 -1.42 115.95 122.25 1qis h TRP 205 Ca 0.24 -0.17 -0.07 0.00 2.06 0.00 0.00 58.89 60.95 1qis h TRP 205 Cb 0.02 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 27.85 1qis h TRP 205 CO 0.01 0.98 -0.03 1.96 -3.56 0.00 0.00 178.44 177.79 1qis h GLN 206 N 0.99 0.70 -0.29 0.49 4.20 -0.53 -0.84 115.11 119.82 1qis h GLN 206 Ca 0.19 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1qis h GLN 206 Cb 0.48 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1qis h GLN 206 CO 0.02 0.74 0.00 1.15 -0.67 0.00 0.00 178.83 180.07 1qis h THR 207 N 0.65 1.26 -0.60 -0.54 2.02 -0.95 -2.44 112.91 112.32 1qis h THR 207 Ca 0.13 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 1qis h THR 207 Cb 0.45 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 1qis h THR 207 CO 0.02 0.30 0.27 -0.07 0.37 0.00 0.00 175.52 176.41 1qis h LEU 208 N 0.31 0.77 -0.51 2.58 3.38 -1.03 -0.92 115.31 119.89 1qis h LEU 208 Ca 0.08 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1qis h LEU 208 Cb 0.43 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1qis h LEU 208 CO 0.01 0.67 0.10 0.00 0.09 0.00 0.00 178.44 179.31 1qis h ALA 209 N 1.45 0.67 -0.08 1.53 0.00 -0.99 -0.79 119.26 121.06 1qis h ALA 209 Ca 0.21 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 1qis h ALA 209 Cb 0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1qis h ALA 209 CO -0.02 0.39 -0.73 -0.56 0.00 0.00 0.00 179.25 178.33 1qis h GLN 210 N 0.71 0.40 -0.34 0.00 3.07 -1.16 -2.73 115.11 115.07 1qis h GLN 210 Ca 0.16 -0.33 -0.02 0.00 0.09 0.00 0.00 58.65 58.55 1qis h GLN 210 Cb 0.38 0.07 -0.02 0.00 0.08 0.00 0.00 27.48 27.99 1qis h GLN 210 CO 0.01 0.97 0.15 1.25 0.09 0.00 0.00 178.83 181.30 1qis h LEU 211 N 0.27 0.46 -1.14 0.06 5.85 -1.04 -1.25 115.31 118.53 1qis h LEU 211 Ca -0.03 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.45 1qis h LEU 211 Cb 1.31 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1qis h LEU 211 CO 0.13 0.47 -0.43 0.77 -0.34 0.00 0.00 178.44 179.04 1qis h SER 212 N 0.41 0.01 0.27 1.25 4.64 -1.15 0.52 113.55 119.49 1qis h SER 212 Ca 0.12 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.30 1qis h SER 212 Cb 0.15 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1qis h SER 212 CO -0.01 0.43 -0.54 1.62 -0.87 0.00 0.00 176.83 177.47 1qis h VAL 213 N 0.00 1.35 -0.04 0.95 3.04 -1.29 -1.54 116.25 118.72 1qis h VAL 213 Ca -0.00 -1.82 -0.25 0.00 -1.01 0.00 0.00 66.70 63.62 1qis h VAL 213 Cb 0.76 1.87 0.02 0.00 -2.01 0.00 0.00 31.29 31.93 1qis h VAL 213 CO 0.06 0.54 -0.96 -0.08 -1.01 0.00 0.00 177.57 176.12 1qis h GLU 214 N 0.23 0.68 -0.00 4.17 4.81 -0.75 -3.28 114.58 120.44 1qis h GLU 214 Ca 0.00 -0.68 0.00 0.00 -0.13 0.00 0.00 59.36 58.56 1qis h GLU 214 Cb 1.02 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1qis h GLU 214 CO 0.09 1.27 -0.22 1.63 -0.73 0.00 0.00 179.01 181.04 1qis n LYS 215 N -3.86 0.54 -2.24 1.92 4.76 0.13 -4.96 118.16 114.44 1qis n LYS 215 Ca -0.09 -0.25 -0.06 0.00 -2.87 0.00 0.00 58.31 55.04 1qis n LYS 215 Cb 0.84 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.53 1qis n LYS 215 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qis n GLY 216 N 1.36 0.21 3.85 0.72 0.00 -0.67 -3.61 105.19 107.05 1qis n GLY 216 Ca 0.11 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 1qis n GLY 216 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1qis s TRP 217 N -2.44 3.43 -0.34 1.61 0.51 -0.70 -0.54 118.94 120.47 1qis s TRP 217 Ca 0.03 1.20 -0.14 0.00 -2.12 0.00 0.00 56.10 55.07 1qis s TRP 217 Cb -0.01 -2.51 -0.02 0.00 -0.81 0.00 0.00 33.47 30.12 1qis s TRP 217 CO 0.04 0.16 0.29 -1.17 -0.51 0.00 0.00 176.95 175.76 1qis s LEU 218 N -2.78 4.45 0.16 2.99 2.96 -0.42 -4.79 118.68 121.25 1qis s LEU 218 Ca 0.51 -0.30 -0.30 0.00 -0.22 0.00 0.00 54.13 53.82 1qis s LEU 218 Cb -0.11 -2.23 -0.07 0.00 0.50 0.00 0.00 46.19 44.28 1qis s LEU 218 CO 0.18 -0.27 1.00 -2.84 -1.32 0.00 0.00 176.35 173.11 1qis s PRO 219 N 1.86 4.70 -0.15 0.98 0.02 -1.26 -1.62 135.00 139.52 1qis s PRO 219 Ca 0.09 1.55 0.00 0.00 0.02 0.00 0.00 61.00 62.66 1qis s PRO 219 Cb -0.17 -3.32 0.03 0.00 0.02 0.00 0.00 34.50 31.06 1qis s PRO 219 CO 0.11 0.23 -0.11 -1.17 -0.33 0.00 0.00 177.00 175.74 1qis s LEU 220 N -0.39 1.69 -0.15 -5.54 2.96 -0.72 -2.09 118.68 114.43 1qis s LEU 220 Ca 0.46 -0.55 -0.08 0.00 -0.22 0.00 0.00 54.13 53.74 1qis s LEU 220 Cb -0.26 -1.08 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 1qis s LEU 220 CO 0.32 -0.11 0.14 -0.36 -1.32 0.00 0.00 176.35 175.02 1qis s PHE 221 N 1.54 3.52 -0.41 5.38 0.40 0.05 -0.61 117.98 127.86 1qis s PHE 221 Ca 0.03 0.45 -0.09 0.00 -0.60 0.00 0.00 56.93 56.72 1qis s PHE 221 Cb -0.14 -2.03 0.07 0.00 0.51 0.00 0.00 43.02 41.44 1qis s PHE 221 CO -0.09 0.56 0.24 0.34 0.70 0.00 0.00 175.22 176.96 1qis s ASP 222 N -0.48 5.60 -0.59 1.36 -1.08 -0.29 -0.92 116.67 120.28 1qis s ASP 222 Ca 0.12 -1.43 -0.01 0.00 -0.52 0.00 0.00 52.55 50.70 1qis s ASP 222 Cb -0.12 -1.97 0.15 0.00 -1.46 0.00 0.00 42.92 39.52 1qis s ASP 222 CO 0.02 -0.50 0.39 0.12 0.52 0.00 0.00 175.17 175.71 1qis s PHE 223 N 1.42 3.38 -0.59 -5.34 5.36 -0.19 -1.10 117.98 120.92 1qis s PHE 223 Ca 0.03 -2.79 0.11 0.00 -0.96 0.00 0.00 56.93 53.31 1qis s PHE 223 Cb -0.22 -3.12 -0.10 0.00 -0.34 0.00 0.00 43.02 39.23 1qis s PHE 223 CO 0.02 -0.83 0.50 0.00 -1.46 0.00 0.00 175.22 173.45 1qis n ALA 224 N 3.48 3.37 -2.33 11.12 0.00 -1.26 -1.57 120.51 133.31 1qis n ALA 224 Ca 0.07 -0.33 -0.04 0.00 0.00 0.00 0.00 53.44 53.14 1qis n ALA 224 Cb 0.37 -0.40 0.06 0.00 0.00 0.00 0.00 19.45 19.48 1qis n ALA 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qis n TYR 225 N -1.12 1.10 -1.67 0.00 4.01 -1.26 -4.56 117.16 113.66 1qis n TYR 225 Ca 0.02 -1.65 -0.42 0.00 -0.16 0.00 0.00 57.90 55.69 1qis n TYR 225 Cb 0.18 -0.24 -0.03 0.00 -0.31 0.00 0.00 39.34 38.94 1qis n TYR 225 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1qis n GLN 226 N -0.46 2.84 0.00 -0.72 7.27 -1.26 -1.69 117.38 123.37 1qis n GLN 226 Ca 0.18 1.04 0.00 0.00 0.07 0.00 0.00 57.00 58.29 1qis n GLN 226 Cb 0.91 -2.98 0.00 0.00 2.41 0.00 0.00 30.24 30.57 1qis n GLN 226 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1qis n GLY 227 N 4.49 2.60 0.03 1.69 0.00 -1.25 -4.80 105.19 107.95 1qis n GLY 227 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.35 1qis n GLY 227 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qis n PHE 228 N -1.20 0.00 -0.08 1.61 3.72 -0.68 -4.19 117.46 116.63 1qis n PHE 228 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 1qis n PHE 228 Cb 0.00 -0.31 -0.03 0.00 -0.94 0.00 0.00 39.48 38.20 1qis n PHE 228 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qis n ALA 229 N -1.40 0.77 0.00 4.37 0.00 -1.26 -3.81 120.51 119.18 1qis n ALA 229 Ca 0.07 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1qis n ALA 229 Cb 0.33 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1qis n ALA 229 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qis n ARG 230 N -4.45 0.25 0.00 0.00 1.74 -1.26 -4.91 116.66 108.03 1qis n ARG 230 Ca -0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 1qis n ARG 230 Cb 0.46 -0.74 0.00 0.00 -1.02 0.00 0.00 32.46 31.15 1qis n ARG 230 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qis n GLY 231 N 2.38 0.27 0.18 -0.13 0.00 -1.26 -4.98 105.19 101.65 1qis n GLY 231 Ca 0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 1qis n GLY 231 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qis h LEU 233 N 0.00 -0.32 -0.49 0.99 3.38 -1.89 -1.22 115.31 115.75 1qis h LEU 233 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1qis h LEU 233 Cb 0.00 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1qis h LEU 233 CO 0.00 -0.22 -0.72 -0.33 0.09 0.00 0.00 178.44 177.26 1qis h GLU 234 N -0.39 0.24 -0.23 1.13 4.39 -1.97 -3.23 114.58 114.52 1qis h GLU 234 Ca -0.04 -0.20 -0.15 0.00 0.34 0.00 0.00 59.36 59.31 1qis h GLU 234 Cb 0.30 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1qis h GLU 234 CO 0.06 0.86 -0.44 0.93 -1.16 0.00 0.00 179.01 179.26 1qis h GLU 235 N 0.16 0.70 0.00 2.33 3.07 -1.93 -2.97 114.58 115.94 1qis h GLU 235 Ca -0.02 -0.45 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 1qis h GLU 235 Cb 1.28 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 1qis h GLU 235 CO 0.11 1.07 0.00 -0.44 -1.40 0.00 0.00 179.01 178.35 1qis h ASP 236 N 0.41 0.00 -0.26 1.42 5.19 -1.26 -1.87 116.42 120.05 1qis h ASP 236 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1qis h ASP 236 Cb 1.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.56 1qis h ASP 236 CO 0.10 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.22 1qis n ALA 237 N -2.05 2.48 -0.04 3.45 0.00 -1.12 -4.58 120.51 118.65 1qis n ALA 237 Ca -0.02 -0.68 -0.09 0.00 0.00 0.00 0.00 53.44 52.66 1qis n ALA 237 Cb 0.14 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 1qis n ALA 237 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1qis h GLU 238 N 2.84 0.00 -0.45 0.00 5.08 -1.42 -1.05 114.58 119.59 1qis h GLU 238 Ca 0.00 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qis h GLU 238 Cb 0.63 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1qis h GLU 238 CO 0.00 0.00 0.27 0.78 -1.00 0.00 0.00 179.01 179.06 1qis h GLY 239 N 0.00 0.66 1.01 -3.84 0.00 -1.83 -0.93 103.07 98.14 1qis h GLY 239 Ca 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1qis h GLY 239 CO -0.19 0.27 0.49 -2.00 0.00 0.00 0.00 176.54 175.11 1qis h LEU 240 N 0.60 0.91 -0.99 3.11 5.85 -1.81 -2.27 115.31 120.71 1qis h LEU 240 Ca 0.16 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 1qis h LEU 240 Cb 0.00 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1qis h LEU 240 CO -0.03 0.68 -0.44 0.03 -0.34 0.00 0.00 178.44 178.34 1qis h ARG 241 N 1.06 0.13 -0.67 1.25 3.08 -1.01 -0.02 114.38 118.19 1qis h ARG 241 Ca 0.28 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.23 1qis h ARG 241 Cb -0.08 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1qis h ARG 241 CO -0.06 0.55 0.25 0.00 -1.07 0.00 0.00 179.97 179.64 1qis h ALA 242 N 1.44 1.17 -0.20 0.04 0.00 -0.73 -2.27 119.26 118.72 1qis h ALA 242 Ca 0.01 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1qis h ALA 242 Cb 0.83 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1qis h ALA 242 CO 0.06 0.59 -0.34 0.74 0.00 0.00 0.00 179.25 180.30 1qis h PHE 243 N 0.97 0.72 0.00 0.00 -1.00 -0.85 -3.26 116.94 113.53 1qis h PHE 243 Ca 0.22 -0.25 -0.02 0.00 2.81 0.00 0.00 57.97 60.73 1qis h PHE 243 Cb 0.22 -0.14 -0.00 0.00 3.61 0.00 0.00 35.95 39.64 1qis h PHE 243 CO 0.02 0.99 -0.12 0.00 -1.61 0.00 0.00 178.31 177.59 1qis h ALA 244 N 0.60 1.56 0.00 2.45 0.00 -0.73 -1.19 119.26 121.96 1qis h ALA 244 Ca 0.01 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1qis h ALA 244 Cb 0.93 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1qis h ALA 244 CO 0.08 0.14 -0.31 0.00 0.00 0.00 0.00 179.25 179.16 1qis h ALA 245 N 1.88 1.19 -0.00 0.00 0.00 -1.46 -3.32 119.26 117.56 1qis h ALA 245 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1qis h ALA 245 Cb 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1qis h ALA 245 CO 0.02 0.39 -0.13 0.00 0.00 0.00 0.00 179.25 179.52 1qis n MET 246 N -3.74 3.37 -4.03 0.00 0.00 -0.77 -5.02 117.12 106.92 1qis n MET 246 Ca -0.01 -0.30 -0.35 0.00 0.00 0.00 0.00 57.70 57.05 1qis n MET 246 Cb 0.41 -0.85 -0.07 0.00 0.00 0.00 0.00 33.22 32.71 1qis n MET 246 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 1qis s HIS 247 N -1.05 3.42 0.03 3.17 3.76 -0.52 -4.97 115.29 119.13 1qis s HIS 247 Ca 0.03 0.34 0.10 0.00 -0.15 0.00 0.00 55.06 55.38 1qis s HIS 247 Cb 0.04 -1.83 -0.16 0.00 1.11 0.00 0.00 32.58 31.74 1qis s HIS 247 CO 0.14 0.62 1.18 0.87 -0.85 0.00 0.00 174.74 176.70 1qis h LYS 248 N 4.46 0.00 -4.72 1.40 1.57 -1.90 -3.47 116.57 113.90 1qis h LYS 248 Ca -0.51 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 57.93 1qis h LYS 248 Cb 1.20 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.27 1qis h LYS 248 CO 0.61 0.79 -0.76 -1.21 -0.57 0.00 0.00 179.45 178.32 1qis s GLU 249 N -2.75 0.62 -0.04 3.15 2.02 -1.26 -2.35 118.70 118.09 1qis s GLU 249 Ca 0.00 -0.59 -0.30 0.00 0.02 0.00 0.00 54.97 54.10 1qis s GLU 249 Cb 0.09 -0.52 0.11 0.00 0.10 0.00 0.00 34.13 33.91 1qis s GLU 249 CO 0.81 0.12 1.00 -0.48 0.02 0.00 0.00 175.26 176.73 1qis s LEU 250 N -1.03 -0.27 -0.03 1.80 0.05 -0.95 -4.52 118.68 113.73 1qis s LEU 250 Ca -0.03 -0.04 0.03 0.00 0.05 0.00 0.00 54.13 54.14 1qis s LEU 250 Cb -0.07 1.83 0.00 0.00 -2.05 0.00 0.00 46.19 45.90 1qis s LEU 250 CO 0.00 -0.52 -0.10 -0.63 -0.55 0.00 0.00 176.35 174.55 1qis s ILE 251 N -2.91 0.87 -0.12 1.48 1.01 -0.89 -1.04 121.20 119.60 1qis s ILE 251 Ca 0.07 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.33 1qis s ILE 251 Cb -0.01 -0.77 0.01 0.00 0.01 0.00 0.00 42.46 41.71 1qis s ILE 251 CO -0.07 0.27 -0.16 -0.69 0.00 0.00 0.00 174.94 174.29 1qis s VAL 252 N 0.18 1.62 -0.35 2.92 1.01 0.14 -0.77 120.40 125.15 1qis s VAL 252 Ca -0.03 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 1qis s VAL 252 Cb -0.09 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.86 1qis s VAL 252 CO 0.01 0.46 0.13 0.00 0.00 0.00 0.00 175.10 175.70 1qis s ALA 253 N 1.01 3.09 0.25 5.51 0.00 -0.09 -0.21 121.76 131.32 1qis s ALA 253 Ca -0.05 -1.79 0.09 0.00 0.00 0.00 0.00 51.96 50.22 1qis s ALA 253 Cb -0.15 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 1qis s ALA 253 CO -0.03 -1.37 -0.02 -1.54 0.00 0.00 0.00 175.76 172.79 1qis s SER 254 N 1.48 4.47 0.03 0.00 1.04 0.46 -1.03 113.70 120.15 1qis s SER 254 Ca -0.01 -0.65 0.05 0.00 0.48 0.00 0.00 55.95 55.83 1qis s SER 254 Cb -0.20 -0.81 -0.02 0.00 0.10 0.00 0.00 66.02 65.09 1qis s SER 254 CO 0.03 0.02 -0.15 -0.55 0.98 0.00 0.00 173.24 173.57 1qis s SER 255 N -3.54 1.74 0.00 7.02 0.15 -0.61 -1.23 113.70 117.23 1qis s SER 255 Ca 0.30 -0.41 0.07 0.00 0.70 0.00 0.00 55.95 56.61 1qis s SER 255 Cb -0.07 -0.13 0.19 0.00 -1.71 0.00 0.00 66.02 64.29 1qis s SER 255 CO 0.19 0.08 1.13 -1.22 1.20 0.00 0.00 173.24 174.62 1qis n TYR 256 N 2.10 0.27 -0.16 3.44 4.01 -0.12 -4.71 117.16 122.00 1qis n TYR 256 Ca -0.17 -0.46 -0.06 0.00 -0.16 0.00 0.00 57.90 57.05 1qis n TYR 256 Cb 0.55 -0.03 0.03 0.00 -0.31 0.00 0.00 39.34 39.57 1qis n TYR 256 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1qis h SER 257 N 1.32 0.51 0.10 7.72 0.02 -1.87 -2.74 113.55 118.61 1qis h SER 257 Ca 0.00 -0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 1qis h SER 257 Cb 0.62 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1qis h SER 257 CO 0.00 0.37 -1.60 0.11 -1.14 0.00 0.00 176.83 174.57 1qis h LYS 258 N 0.62 0.21 0.00 3.45 6.56 -1.84 -1.57 116.57 124.00 1qis h LYS 258 Ca 0.19 -0.35 0.00 0.00 -1.06 0.00 0.00 60.65 59.43 1qis h LYS 258 Cb -0.02 0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 1qis h LYS 258 CO -0.07 1.17 0.00 0.27 -2.06 0.00 0.00 179.45 178.76 1qis n ASN 259 N -3.87 0.74 -0.20 0.86 0.23 -1.25 -2.82 115.26 108.96 1qis n ASN 259 Ca -0.29 0.62 0.02 0.00 -0.53 0.00 0.00 54.58 54.41 1qis n ASN 259 Cb 0.91 -0.80 0.02 0.00 -2.08 0.00 0.00 39.78 37.83 1qis n ASN 259 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1qis n PHE 260 N -2.26 0.01 -3.18 -2.53 3.01 -1.03 -4.83 117.46 106.66 1qis n PHE 260 Ca 0.04 -0.03 -0.23 0.00 1.01 0.00 0.00 57.45 58.24 1qis n PHE 260 Cb 0.32 -0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.82 1qis n PHE 260 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qis n GLY 261 N 0.25 -0.51 1.60 1.37 0.00 -1.06 -4.69 105.19 102.14 1qis n GLY 261 Ca 0.03 0.12 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 1qis n GLY 261 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qis n LEU 262 N -3.97 5.24 -0.23 0.99 4.77 -0.61 -4.77 117.00 118.41 1qis n LEU 262 Ca -0.07 -3.48 -0.06 0.00 -0.03 0.00 0.00 56.01 52.37 1qis n LEU 262 Cb 0.59 -0.70 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 1qis n LEU 262 CO 0.50 1.00 0.27 -1.22 -1.33 0.00 0.00 177.39 176.61 1qis n TYR 263 N -0.79 -0.24 1.84 -1.77 4.01 -1.12 -0.71 117.16 118.37 1qis n TYR 263 Ca 0.40 0.70 0.16 0.00 -0.16 0.00 0.00 57.90 58.99 1qis n TYR 263 Cb 1.26 -0.54 0.89 0.00 -0.31 0.00 0.00 39.34 40.64 1qis n TYR 263 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1qis n ASN 264 N -4.66 0.03 0.02 7.72 0.23 -1.26 -3.24 115.26 114.09 1qis n ASN 264 Ca 0.01 -0.78 0.12 0.00 -0.53 0.00 0.00 54.58 53.40 1qis n ASN 264 Cb 0.14 -0.08 0.18 0.00 -2.08 0.00 0.00 39.78 37.95 1qis n ASN 264 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1qis n GLU 265 N -1.06 0.11 -2.87 -3.83 -0.58 0.11 -5.02 120.64 107.50 1qis n GLU 265 Ca 0.21 0.02 -0.09 0.00 -0.42 0.00 0.00 57.16 56.88 1qis n GLU 265 Cb 0.15 -1.55 0.01 0.00 -0.57 0.00 0.00 31.44 29.48 1qis n GLU 265 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1qis n ARG 266 N -1.70 -2.38 -4.02 3.49 5.12 -1.20 -4.45 116.66 111.51 1qis n ARG 266 Ca 0.04 2.11 -0.31 0.00 -1.93 0.00 0.00 57.85 57.76 1qis n ARG 266 Cb 0.37 -5.59 -0.15 0.00 -1.16 0.00 0.00 32.46 25.93 1qis n ARG 266 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1qis s VAL 267 N -2.57 1.86 0.37 1.55 1.01 -1.26 -2.57 120.40 118.79 1qis s VAL 267 Ca 0.25 -1.32 -0.05 0.00 0.00 0.00 0.00 61.98 60.86 1qis s VAL 267 Cb -0.07 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1qis s VAL 267 CO 0.77 0.05 0.58 0.61 0.00 0.00 0.00 175.10 177.11 1qis n GLY 268 N 4.57 1.80 3.24 4.51 0.00 -0.77 -0.94 105.19 117.59 1qis n GLY 268 Ca -0.14 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.21 1qis n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qis s ALA 269 N -2.64 -0.82 -0.29 4.61 0.00 -0.37 -1.25 121.76 121.00 1qis s ALA 269 Ca 0.27 0.71 -0.00 0.00 0.00 0.00 0.00 51.96 52.93 1qis s ALA 269 Cb -0.02 -0.30 0.05 0.00 0.00 0.00 0.00 23.12 22.85 1qis s ALA 269 CO 0.19 -0.20 -0.03 0.00 0.00 0.00 0.00 175.76 175.72 1qis s THR 271 N 1.21 4.47 -0.22 0.00 2.01 0.71 -1.04 115.64 122.78 1qis s THR 271 Ca -0.06 -0.12 -0.09 0.00 0.31 0.00 0.00 61.69 61.73 1qis s THR 271 Cb -0.20 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 1qis s THR 271 CO -0.02 0.36 0.10 -0.22 -0.69 0.00 0.00 174.62 174.15 1qis s LEU 272 N 1.37 3.86 -0.10 4.42 2.96 0.04 -0.69 118.68 130.54 1qis s LEU 272 Ca 0.05 0.04 0.04 0.00 -0.22 0.00 0.00 54.13 54.04 1qis s LEU 272 Cb -0.15 -2.01 -0.00 0.00 0.50 0.00 0.00 46.19 44.53 1qis s LEU 272 CO 0.04 0.09 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.25 1qis s VAL 273 N 0.86 2.21 0.43 1.68 1.01 -0.21 -1.11 120.40 125.27 1qis s VAL 273 Ca 0.05 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1qis s VAL 273 Cb -0.13 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1qis s VAL 273 CO 0.03 0.56 0.09 0.00 0.00 0.00 0.00 175.10 175.77 1qis s ALA 274 N 0.30 3.20 0.41 5.51 0.00 -0.75 -2.25 121.76 128.18 1qis s ALA 274 Ca -0.17 -1.11 0.10 0.00 0.00 0.00 0.00 51.96 50.78 1qis s ALA 274 Cb -0.17 0.53 0.87 0.00 0.00 0.00 0.00 23.12 24.35 1qis s ALA 274 CO 0.08 -0.25 1.98 0.00 0.00 0.00 0.00 175.76 177.57 1qis h ALA 275 N 1.70 1.62 -2.86 0.00 0.00 -1.79 -3.44 119.26 114.49 1qis h ALA 275 Ca -0.38 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 1qis h ALA 275 Cb 1.28 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 1qis h ALA 275 CO 0.63 0.28 -0.14 0.16 0.00 0.00 0.00 179.25 180.18 1qis s ASP 276 N -6.87 0.25 0.21 0.00 1.47 -1.26 -5.00 116.67 105.47 1qis s ASP 276 Ca -0.06 -1.15 -0.09 0.00 1.18 0.00 0.00 52.55 52.43 1qis s ASP 276 Cb 0.16 0.62 0.27 0.00 -0.34 0.00 0.00 42.92 43.63 1qis s ASP 276 CO 0.72 -1.22 1.76 -1.28 0.68 0.00 0.00 175.17 175.83 1qis h SER 277 N 2.21 0.29 0.17 2.11 0.87 -1.72 -1.45 113.55 116.03 1qis h SER 277 Ca -0.28 0.07 -0.15 0.00 -1.23 0.00 0.00 61.79 60.20 1qis h SER 277 Cb 1.25 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 1qis h SER 277 CO 0.38 0.17 -0.57 1.05 -0.53 0.00 0.00 176.83 177.33 1qis h GLU 278 N 0.46 0.42 -0.06 2.24 9.09 -1.94 -1.74 114.58 123.04 1qis h GLU 278 Ca 0.31 -0.27 -0.08 0.00 0.05 0.00 0.00 59.36 59.37 1qis h GLU 278 Cb 0.35 0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.48 1qis h GLU 278 CO -0.28 0.87 -0.27 1.15 0.05 0.00 0.00 179.01 180.54 1qis h THR 279 N 0.32 1.44 -0.61 -1.06 2.02 -1.92 -2.37 112.91 110.73 1qis h THR 279 Ca 0.00 -1.68 -0.02 0.00 0.77 0.00 0.00 66.41 65.47 1qis h THR 279 Cb 1.10 2.35 -0.03 0.00 -1.74 0.00 0.00 68.15 69.82 1qis h THR 279 CO 0.10 0.48 0.29 1.62 0.37 0.00 0.00 175.52 178.38 1qis h VAL 280 N -0.22 1.20 -0.56 3.16 3.04 -1.23 -0.39 116.25 121.25 1qis h VAL 280 Ca -0.02 -0.56 -0.11 0.00 -1.01 0.00 0.00 66.70 65.00 1qis h VAL 280 Cb 0.91 0.43 -0.02 0.00 -2.01 0.00 0.00 31.29 30.60 1qis h VAL 280 CO 0.06 0.23 -0.07 0.44 -1.01 0.00 0.00 177.57 177.22 1qis h ASP 281 N 0.85 1.04 -0.24 3.17 3.32 -1.28 0.28 116.42 123.56 1qis h ASP 281 Ca 0.21 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1qis h ASP 281 Cb 0.09 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1qis h ASP 281 CO -0.03 1.13 0.07 0.03 -1.72 0.00 0.00 179.24 178.72 1qis h ARG 282 N 0.93 0.38 -0.75 3.56 3.08 -0.87 -1.97 114.38 118.74 1qis h ARG 282 Ca 0.15 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 1qis h ARG 282 Cb 0.64 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 1qis h ARG 282 CO 0.04 0.48 0.27 0.00 -1.07 0.00 0.00 179.97 179.69 1qis h ALA 283 N 0.89 0.98 -0.05 0.04 0.00 -0.92 -2.75 119.26 117.45 1qis h ALA 283 Ca 0.08 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1qis h ALA 283 Cb 0.26 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1qis h ALA 283 CO -0.00 0.63 -0.26 0.35 0.00 0.00 0.00 179.25 179.97 1qis h PHE 284 N 1.10 0.09 -0.45 0.00 3.57 -0.25 -2.29 116.94 118.70 1qis h PHE 284 Ca 0.25 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 1qis h PHE 284 Cb 0.26 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1qis h PHE 284 CO 0.02 0.34 0.19 0.66 -2.23 0.00 0.00 178.31 177.29 1qis h SER 285 N 0.08 0.58 0.40 0.41 4.64 -1.05 -0.39 113.55 118.22 1qis h SER 285 Ca 0.01 -0.06 -0.17 0.00 -0.47 0.00 0.00 61.79 61.10 1qis h SER 285 Cb 0.50 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1qis h SER 285 CO 0.04 0.52 -0.73 1.56 -0.87 0.00 0.00 176.83 177.35 1qis h GLN 286 N 0.64 0.28 -0.51 4.77 1.08 -1.44 -2.06 115.11 117.86 1qis h GLN 286 Ca 0.16 -0.23 -0.07 0.00 -1.45 0.00 0.00 58.65 57.06 1qis h GLN 286 Cb 0.12 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1qis h GLN 286 CO -0.02 0.89 0.06 1.98 -0.95 0.00 0.00 178.83 180.79 1qis h MET 287 N 0.19 0.87 -0.70 1.46 4.05 -1.00 -1.52 114.93 118.28 1qis h MET 287 Ca -0.03 -0.25 -0.01 0.00 -0.28 0.00 0.00 59.70 59.14 1qis h MET 287 Cb 1.29 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.96 1qis h MET 287 CO 0.12 0.87 0.41 0.87 0.23 0.00 0.00 176.91 179.40 1qis h LYS 288 N 0.74 0.95 -0.34 0.39 1.57 -1.03 -1.27 116.57 117.59 1qis h LYS 288 Ca 0.15 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 1qis h LYS 288 Cb 0.44 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1qis h LYS 288 CO 0.02 0.68 -0.11 0.00 -0.57 0.00 0.00 179.45 179.46 1qis h ALA 289 N 1.48 1.18 -0.20 3.86 0.00 -0.82 -1.42 119.26 123.35 1qis h ALA 289 Ca 0.25 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1qis h ALA 289 Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1qis h ALA 289 CO -0.05 0.52 -0.35 0.00 0.00 0.00 0.00 179.25 179.38 1qis h ALA 290 N 1.35 1.04 -0.18 0.00 0.00 -0.36 -2.79 119.26 118.33 1qis h ALA 290 Ca 0.10 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1qis h ALA 290 Cb 0.51 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1qis h ALA 290 CO 0.03 0.59 -0.13 0.82 0.00 0.00 0.00 179.25 180.56 1qis h ILE 291 N 0.35 1.33 -0.45 0.00 2.04 -0.89 -3.07 117.51 116.82 1qis h ILE 291 Ca 0.04 -1.25 0.05 0.00 1.00 0.00 0.00 64.86 64.70 1qis h ILE 291 Cb 0.78 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 1qis h ILE 291 CO 0.06 0.37 0.30 -0.09 0.00 0.00 0.00 178.15 178.80 1qis h ARG 292 N 0.08 0.40 -0.01 2.37 9.65 -1.17 -0.80 114.38 124.90 1qis h ARG 292 Ca 0.03 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1qis h ARG 292 Cb 0.65 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 1qis h ARG 292 CO 0.04 0.26 0.00 0.00 2.80 0.00 0.00 179.97 183.07 1qis n ALA 293 N -2.51 2.61 -0.80 2.80 0.00 -1.06 -3.61 120.51 117.95 1qis n ALA 293 Ca 0.06 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1qis n ALA 293 Cb 0.22 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1qis n ALA 293 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1qis n ASN 294 N -0.24 0.00 -0.07 0.00 2.85 -0.38 -4.94 115.26 112.48 1qis n ASN 294 Ca 0.21 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.68 1qis n ASN 294 Cb 0.27 -0.05 0.01 0.00 1.24 0.00 0.00 39.78 41.25 1qis n ASN 294 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1qis n TYR 295 N -1.50 0.04 0.00 1.20 0.18 -0.73 -5.05 117.16 111.30 1qis n TYR 295 Ca 0.00 -0.35 0.00 0.00 1.88 0.00 0.00 57.90 59.43 1qis n TYR 295 Cb 0.00 -0.03 0.00 0.00 -0.38 0.00 0.00 39.34 38.93 1qis n TYR 295 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1qis n SER 296 N -0.24 0.00 -3.62 9.48 2.88 -0.81 -4.77 113.62 116.54 1qis n SER 296 Ca 0.01 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.43 1qis n SER 296 Cb 0.20 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.61 1qis n SER 296 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1qis s ASN 297 N 0.00 -0.32 0.61 -3.46 4.22 -1.26 -4.15 114.94 110.58 1qis s ASN 297 Ca 0.00 -0.07 -0.13 0.00 -2.14 0.00 0.00 52.86 50.53 1qis s ASN 297 Cb 0.00 0.47 -0.04 0.00 1.28 0.00 0.00 41.25 42.96 1qis s ASN 297 CO 0.00 -0.76 1.03 -2.16 -2.04 0.00 0.00 177.10 173.17 1qis s PRO 298 N -3.00 3.55 0.03 3.55 0.04 -1.26 -5.02 135.00 132.90 1qis s PRO 298 Ca -0.02 0.86 -0.30 0.00 0.04 0.00 0.00 61.00 61.58 1qis s PRO 298 Cb 0.00 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 1qis s PRO 298 CO -0.06 -0.60 1.33 -1.25 0.04 0.00 0.00 177.00 176.46 1qis s PRO 299 N -4.82 4.33 0.15 0.56 0.04 -1.26 -4.80 135.00 129.20 1qis s PRO 299 Ca 0.57 1.92 -0.10 0.00 0.04 0.00 0.00 61.00 63.42 1qis s PRO 299 Cb -0.12 -3.45 -0.00 0.00 0.04 0.00 0.00 34.50 30.97 1qis s PRO 299 CO 0.48 -0.46 1.54 0.00 0.04 0.00 0.00 177.00 178.59 1qis h ALA 300 N 7.33 0.66 -0.01 8.56 0.00 -1.95 -3.39 119.26 130.46 1qis h ALA 300 Ca -0.39 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.14 1qis h ALA 300 Cb 1.19 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1qis h ALA 300 CO 0.87 0.66 -0.51 1.25 0.00 0.00 0.00 179.25 181.52 1qis h HIS 301 N 0.83 -1.51 -0.74 0.00 -0.00 -1.92 -0.52 115.15 111.30 1qis h HIS 301 Ca 0.10 0.05 -0.05 0.00 -0.00 0.00 0.00 60.37 60.47 1qis h HIS 301 Cb 0.81 0.66 -0.03 0.00 -0.00 0.00 0.00 27.41 28.85 1qis h HIS 301 CO 0.05 -0.55 0.27 0.78 -0.00 0.00 0.00 177.93 178.48 1qis h GLY 302 N -0.63 1.21 1.74 5.26 0.00 -1.78 -1.44 103.07 107.43 1qis h GLY 302 Ca 0.01 -0.69 -0.11 0.00 0.00 0.00 0.00 47.33 46.55 1qis h GLY 302 CO -0.35 0.65 -0.38 0.00 0.00 0.00 0.00 176.54 176.45 1qis h ALA 303 N 1.13 1.10 -0.47 3.60 0.00 -1.72 -1.49 119.26 121.40 1qis h ALA 303 Ca 0.24 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1qis h ALA 303 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1qis h ALA 303 CO -0.01 0.58 -0.15 1.03 0.00 0.00 0.00 179.25 180.70 1qis h SER 304 N 0.25 0.95 -0.39 0.00 0.87 -0.82 -0.39 113.55 114.01 1qis h SER 304 Ca 0.03 -0.38 -0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1qis h SER 304 Cb 0.79 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 1qis h SER 304 CO 0.06 1.11 0.24 0.58 -0.53 0.00 0.00 176.83 178.29 1qis h VAL 305 N 0.78 1.12 -0.66 2.23 2.07 -0.87 -1.06 116.25 119.86 1qis h VAL 305 Ca 0.11 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1qis h VAL 305 Cb 0.71 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1qis h VAL 305 CO 0.05 0.12 0.32 0.58 0.02 0.00 0.00 177.57 178.66 1qis h VAL 306 N 0.52 1.22 -0.60 2.57 2.07 -1.12 -1.53 116.25 119.38 1qis h VAL 306 Ca 0.14 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.94 1qis h VAL 306 Cb -0.02 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1qis h VAL 306 CO -0.03 0.26 0.04 0.00 0.02 0.00 0.00 177.57 177.87 1qis h ALA 307 N 1.14 0.80 -0.13 1.67 0.00 -0.90 -1.60 119.26 120.23 1qis h ALA 307 Ca 0.23 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1qis h ALA 307 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1qis h ALA 307 CO -0.03 0.61 0.08 1.15 0.00 0.00 0.00 179.25 181.06 1qis h THR 308 N 0.93 1.07 -0.22 0.00 2.02 -0.90 -1.26 112.91 114.54 1qis h THR 308 Ca 0.18 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 1qis h THR 308 Cb 0.50 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1qis h THR 308 CO 0.02 0.06 0.04 0.40 0.37 0.00 0.00 175.52 176.41 1qis h ILE 309 N 0.15 1.22 0.00 3.11 2.04 -1.24 -2.52 117.51 120.27 1qis h ILE 309 Ca 0.05 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 1qis h ILE 309 Cb 0.03 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1qis h ILE 309 CO -0.01 0.23 -0.20 -0.07 0.00 0.00 0.00 178.15 178.10 1qis h LEU 310 N 0.17 0.00 0.00 1.44 3.38 -1.23 -2.82 115.31 116.25 1qis h LEU 310 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1qis h LEU 310 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1qis h LEU 310 CO 0.00 0.20 -0.51 -1.20 0.09 0.00 0.00 178.44 177.02 1qis n SER 311 N -3.51 0.53 -4.31 -0.43 7.64 -0.48 -4.79 113.62 108.27 1qis n SER 311 Ca -0.01 -0.05 -0.35 0.00 1.01 0.00 0.00 58.87 59.47 1qis n SER 311 Cb 0.36 0.16 -0.14 0.00 -1.01 0.00 0.00 64.21 63.58 1qis n SER 311 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1qis s ASN 312 N -3.46 4.27 0.21 6.43 3.84 -0.96 -5.02 114.94 120.25 1qis s ASN 312 Ca 0.09 -0.39 -0.09 0.00 0.21 0.00 0.00 52.86 52.68 1qis s ASN 312 Cb 0.16 -1.73 0.28 0.00 -0.55 0.00 0.00 41.25 39.42 1qis s ASN 312 CO 0.69 -0.01 1.75 0.44 -2.79 0.00 0.00 177.10 177.18 1qis h ASP 313 N 8.04 0.25 -0.16 -4.21 3.32 -1.87 0.22 116.42 122.01 1qis h ASP 313 Ca -0.41 0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.67 1qis h ASP 313 Cb 1.16 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 1qis h ASP 313 CO 0.60 0.14 -0.08 0.00 -1.72 0.00 0.00 179.24 178.19 1qis h ALA 314 N 1.42 0.23 -0.41 3.45 0.00 -1.95 -1.73 119.26 120.28 1qis h ALA 314 Ca 0.31 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1qis h ALA 314 Cb 0.38 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1qis h ALA 314 CO -0.30 0.04 -0.06 -0.07 0.00 0.00 0.00 179.25 178.86 1qis h LEU 315 N 0.02 0.66 -0.64 0.00 3.38 -1.77 -2.39 115.31 114.58 1qis h LEU 315 Ca 0.04 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1qis h LEU 315 Cb 0.55 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1qis h LEU 315 CO 0.02 0.77 -0.05 -0.09 0.09 0.00 0.00 178.44 179.18 1qis h ARG 316 N 0.64 1.01 -0.67 1.13 2.43 -0.35 -0.88 114.38 117.69 1qis h ARG 316 Ca 0.12 -0.34 -0.03 0.00 -0.81 0.00 0.00 59.98 58.92 1qis h ARG 316 Cb 0.48 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1qis h ARG 316 CO 0.03 1.02 0.31 0.00 -1.51 0.00 0.00 179.97 179.82 1qis h ALA 317 N 1.01 0.86 -0.19 2.80 0.00 -1.07 -0.90 119.26 121.77 1qis h ALA 317 Ca 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1qis h ALA 317 Cb 0.60 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1qis h ALA 317 CO 0.04 0.43 -0.03 0.82 0.00 0.00 0.00 179.25 180.51 1qis h ILE 318 N 0.92 1.28 -0.27 0.00 2.04 -1.17 -2.83 117.51 117.48 1qis h ILE 318 Ca 0.23 -0.97 0.02 0.00 1.00 0.00 0.00 64.86 65.14 1qis h ILE 318 Cb 0.13 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1qis h ILE 318 CO -0.03 0.29 0.12 -0.25 0.00 0.00 0.00 178.15 178.29 1qis h TRP 319 N 0.08 0.23 -0.57 1.37 7.01 -1.04 -1.35 115.95 121.68 1qis h TRP 319 Ca 0.05 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.11 1qis h TRP 319 Cb 0.45 -0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.42 1qis h TRP 319 CO 0.05 0.12 0.38 0.93 -2.79 0.00 0.00 178.44 177.13 1qis h GLU 320 N 0.27 0.56 -0.18 2.65 5.08 -1.16 0.23 114.58 122.02 1qis h GLU 320 Ca 0.11 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.23 1qis h GLU 320 Cb 0.05 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.18 1qis h GLU 320 CO -0.09 0.37 -0.71 0.37 -1.00 0.00 0.00 179.01 177.95 1qis h GLN 321 N 0.57 0.77 -0.61 2.33 5.75 -1.17 -1.58 115.11 121.16 1qis h GLN 321 Ca 0.24 -0.59 -0.06 0.00 -0.15 0.00 0.00 58.65 58.10 1qis h GLN 321 Cb 0.23 0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.86 1qis h GLN 321 CO -0.07 1.20 0.16 0.93 -2.65 0.00 0.00 178.83 178.40 1qis h GLU 322 N 0.54 0.95 -0.46 1.69 5.08 -0.11 0.32 114.58 122.58 1qis h GLU 322 Ca -0.03 -0.20 -0.14 0.00 -1.00 0.00 0.00 59.36 57.99 1qis h GLU 322 Cb 1.33 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1qis h GLU 322 CO 0.15 0.84 -0.26 1.25 -1.00 0.00 0.00 179.01 179.99 1qis h LEU 323 N 0.91 1.03 -1.09 1.33 5.85 -0.97 -2.03 115.31 120.34 1qis h LEU 323 Ca 0.20 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1qis h LEU 323 Cb 0.31 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1qis h LEU 323 CO -0.00 1.21 0.41 0.74 -0.34 0.00 0.00 178.44 180.46 1qis h THR 324 N 0.84 1.22 -0.33 1.05 2.02 -0.72 -0.68 112.91 116.32 1qis h THR 324 Ca 0.10 -0.56 -0.11 0.00 0.77 0.00 0.00 66.41 66.61 1qis h THR 324 Cb 0.84 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1qis h THR 324 CO 0.07 0.25 -0.26 0.44 0.37 0.00 0.00 175.52 176.40 1qis h ASP 325 N 1.05 0.67 -0.18 4.18 3.32 -0.71 -0.76 116.42 124.00 1qis h ASP 325 Ca 0.27 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1qis h ASP 325 Cb 0.03 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1qis h ASP 325 CO -0.04 0.91 0.01 0.24 -1.72 0.00 0.00 179.24 178.63 1qis h MET 326 N 0.58 0.30 -0.15 3.56 2.86 -0.64 -1.36 114.93 120.08 1qis h MET 326 Ca 0.08 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1qis h MET 326 Cb 0.74 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.34 1qis h MET 326 CO 0.06 0.50 -0.02 -0.09 1.06 0.00 0.00 176.91 178.42 1qis h ARG 327 N 0.07 0.03 -0.58 1.72 2.43 -0.97 -2.35 114.38 114.72 1qis h ARG 327 Ca 0.05 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1qis h ARG 327 Cb 0.36 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1qis h ARG 327 CO 0.01 0.02 0.12 1.96 -1.51 0.00 0.00 179.97 180.56 1qis h GLN 328 N 0.03 0.90 -0.46 0.20 4.20 -1.11 -2.54 115.11 116.33 1qis h GLN 328 Ca 0.07 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.51 1qis h GLN 328 Cb 0.10 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1qis h GLN 328 CO -0.14 0.82 0.01 -0.09 -0.67 0.00 0.00 178.83 178.76 1qis h ARG 329 N 0.86 0.75 -0.61 1.46 2.43 -0.93 -1.81 114.38 116.53 1qis h ARG 329 Ca 0.18 -0.19 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1qis h ARG 329 Cb 0.34 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1qis h ARG 329 CO 0.00 0.75 0.04 0.82 -1.51 0.00 0.00 179.97 180.08 1qis h ILE 330 N 0.70 1.26 -0.81 1.20 2.04 -1.15 -1.35 117.51 119.40 1qis h ILE 330 Ca 0.14 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.91 1qis h ILE 330 Cb 0.42 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1qis h ILE 330 CO 0.02 0.40 0.51 1.56 0.00 0.00 0.00 178.15 180.63 1qis h GLN 331 N 0.94 1.09 -0.41 2.37 4.20 -1.12 -0.43 115.11 121.76 1qis h GLN 331 Ca 0.18 -0.09 -0.12 0.00 0.06 0.00 0.00 58.65 58.69 1qis h GLN 331 Cb 0.50 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1qis h GLN 331 CO 0.02 0.75 -0.22 0.00 -0.67 0.00 0.00 178.83 178.71 1qis h ARG 332 N 1.11 0.81 -0.20 1.46 2.47 -1.11 -2.80 114.38 116.11 1qis h ARG 332 Ca 0.29 -0.33 -0.10 0.00 -1.26 0.00 0.00 59.98 58.59 1qis h ARG 332 Cb -0.08 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.19 1qis h ARG 332 CO -0.06 0.95 -0.30 0.52 0.56 0.00 0.00 179.97 181.64 1qis h MET 333 N 0.70 0.40 0.11 0.04 2.86 -0.47 -1.31 114.93 117.28 1qis h MET 333 Ca 0.10 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1qis h MET 333 Cb 0.74 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1qis h MET 333 CO 0.06 0.67 -0.05 0.00 1.06 0.00 0.00 176.91 178.64 1qis h ARG 334 N 0.35 -0.15 -0.12 1.72 3.08 -0.95 0.32 114.38 118.63 1qis h ARG 334 Ca 0.05 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.12 1qis h ARG 334 Cb 0.71 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 1qis h ARG 334 CO 0.05 -0.05 0.02 1.96 -1.07 0.00 0.00 179.97 180.88 1qis h GLN 335 N -0.20 0.07 -0.89 0.04 7.50 -1.40 -2.09 115.11 118.14 1qis h GLN 335 Ca -0.02 -0.00 0.06 0.00 0.50 0.00 0.00 58.65 59.19 1qis h GLN 335 Cb 0.16 -0.02 -0.06 0.00 0.05 0.00 0.00 27.48 27.61 1qis h GLN 335 CO 0.03 0.05 0.56 1.25 -1.50 0.00 0.00 178.83 179.22 1qis h LEU 336 N 0.07 0.90 0.01 1.46 5.85 -1.05 -1.65 115.31 120.90 1qis h LEU 336 Ca 0.05 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1qis h LEU 336 Cb 0.05 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1qis h LEU 336 CO -0.07 0.59 -0.00 0.15 -0.34 0.00 0.00 178.44 178.76 1qis h PHE 337 N 1.05 -0.01 0.00 1.25 3.57 0.00 -1.18 116.94 121.62 1qis h PHE 337 Ca 0.38 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.79 1qis h PHE 337 Cb 0.13 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1qis h PHE 337 CO -0.02 0.05 -0.45 -0.39 -2.23 0.00 0.00 178.31 175.27 1qis h VAL 338 N -0.06 1.25 -0.02 1.41 -1.51 -1.13 -1.80 116.25 114.40 1qis h VAL 338 Ca -0.00 -1.56 -0.01 0.00 -1.23 0.00 0.00 66.70 63.89 1qis h VAL 338 Cb 0.06 1.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 1qis h VAL 338 CO 0.00 0.44 -0.04 0.78 -1.23 0.00 0.00 177.57 177.52 1qis h ASN 339 N 0.00 0.07 -0.49 4.19 -0.26 -1.11 -2.47 115.58 115.50 1qis h ASN 339 Ca -0.00 -0.56 -0.02 0.00 -0.56 0.00 0.00 56.30 55.15 1qis h ASN 339 Cb 0.82 -0.02 -0.03 0.00 -1.06 0.00 0.00 38.32 38.04 1qis h ASN 339 CO 0.06 0.62 0.24 0.74 -1.06 0.00 0.00 177.43 178.03 1qis h THR 340 N -0.48 1.18 -0.47 2.81 2.02 -1.16 0.10 112.91 116.91 1qis h THR 340 Ca 0.00 -0.53 -0.07 0.00 0.77 0.00 0.00 66.41 66.59 1qis h THR 340 Cb 0.60 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1qis h THR 340 CO 0.01 0.21 0.04 -0.07 0.37 0.00 0.00 175.52 176.08 1qis h LEU 341 N 0.75 0.79 -0.80 2.58 3.38 -1.34 0.22 115.31 120.89 1qis h LEU 341 Ca 0.18 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1qis h LEU 341 Cb 0.10 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1qis h LEU 341 CO -0.02 0.88 0.36 -0.61 0.09 0.00 0.00 178.44 179.13 1qis h GLN 342 N 0.67 1.16 -0.06 1.13 4.15 -0.89 -0.85 115.11 120.42 1qis h GLN 342 Ca 0.14 -0.19 -0.15 0.00 0.77 0.00 0.00 58.65 59.22 1qis h GLN 342 Cb 0.45 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1qis h GLN 342 CO 0.02 0.92 -0.64 0.93 -1.93 0.00 0.00 178.83 178.12 1qis h GLU 343 N 1.14 0.24 0.00 1.69 5.08 -0.35 -3.10 114.58 119.28 1qis h GLU 343 Ca 0.27 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1qis h GLU 343 Cb 0.15 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1qis h GLU 343 CO -0.03 0.80 0.00 1.63 -1.00 0.00 0.00 179.01 180.41 1qis n LYS 344 N -3.84 0.95 -0.39 2.33 4.01 0.75 -4.89 118.16 117.07 1qis n LYS 344 Ca -0.03 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.77 1qis n LYS 344 Cb 0.64 -1.26 0.00 0.00 -0.51 0.00 0.00 35.03 33.90 1qis n LYS 344 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1qis n GLY 345 N 0.68 0.80 3.67 0.72 0.00 -1.13 -4.92 105.19 105.02 1qis n GLY 345 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1qis n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qis s ALA 346 N -2.00 3.62 -0.83 4.61 0.00 -0.35 -4.88 121.76 121.92 1qis s ALA 346 Ca 0.00 0.85 0.26 0.00 0.00 0.00 0.00 51.96 53.07 1qis s ALA 346 Cb 0.00 -3.68 0.74 0.00 0.00 0.00 0.00 23.12 20.18 1qis s ALA 346 CO 0.00 -1.20 1.62 0.27 0.00 0.00 0.00 175.76 176.46 1qis n ASN 347 N 6.42 0.50 -4.88 0.00 0.23 -1.26 -4.55 115.26 111.72 1qis n ASN 347 Ca 0.15 0.27 -0.30 0.00 -0.53 0.00 0.00 54.58 54.17 1qis n ASN 347 Cb 0.43 -0.25 -0.04 0.00 -2.08 0.00 0.00 39.78 37.85 1qis n ASN 347 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1qis s ARG 348 N -3.07 3.74 -0.35 -3.83 3.52 -1.26 -5.02 118.95 112.69 1qis s ARG 348 Ca 0.10 0.29 -0.22 0.00 -0.13 0.00 0.00 55.73 55.77 1qis s ARG 348 Cb 0.15 -2.52 0.00 0.00 -1.56 0.00 0.00 34.95 31.02 1qis s ARG 348 CO 0.63 0.12 0.71 0.34 -0.81 0.00 0.00 175.30 176.29 1qis s ASP 349 N -2.98 6.51 -0.18 -2.12 2.15 -1.26 -4.88 116.67 113.91 1qis s ASP 349 Ca 0.48 0.32 0.16 0.00 0.43 0.00 0.00 52.55 53.94 1qis s ASP 349 Cb -0.11 -2.36 0.69 0.00 -0.30 0.00 0.00 42.92 40.84 1qis s ASP 349 CO 0.28 -0.63 1.60 0.49 -0.17 0.00 0.00 175.17 176.74 1qis n PHE 350 N 6.18 1.52 0.28 -5.34 3.72 -1.26 -4.67 117.46 117.89 1qis n PHE 350 Ca 0.01 -0.73 0.13 0.00 -0.05 0.00 0.00 57.45 56.81 1qis n PHE 350 Cb 0.48 -0.36 0.83 0.00 -0.94 0.00 0.00 39.48 39.49 1qis n PHE 350 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1qis h SER 351 N 3.29 0.00 -0.35 4.37 0.02 -1.93 -2.20 113.55 116.75 1qis h SER 351 Ca 0.00 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.05 1qis h SER 351 Cb 1.63 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.15 1qis h SER 351 CO 0.32 0.00 0.30 2.19 -1.14 0.00 0.00 176.83 178.51 1qis h PHE 352 N 0.00 0.00 -0.40 3.45 -5.15 -1.98 -1.57 116.94 111.30 1qis h PHE 352 Ca 0.01 0.00 0.03 0.00 -0.20 0.00 0.00 57.97 57.81 1qis h PHE 352 Cb 0.03 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.18 1qis h PHE 352 CO 0.00 0.00 0.26 0.82 -2.00 0.00 0.00 178.31 177.39 1qis h ILE 353 N 0.00 1.03 0.00 0.88 2.04 -1.78 -0.62 117.51 119.05 1qis h ILE 353 Ca 0.17 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 1qis h ILE 353 Cb 0.77 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1qis h ILE 353 CO -0.00 0.08 -0.08 0.40 0.00 0.00 0.00 178.15 178.54 1qis h ILE 354 N 0.42 0.72 -0.00 -0.67 1.08 -1.48 -2.60 117.51 114.97 1qis h ILE 354 Ca 0.16 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1qis h ILE 354 Cb 0.13 1.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.07 1qis h ILE 354 CO -0.04 0.08 -0.16 0.29 -0.69 0.00 0.00 178.15 177.64 1qis n LYS 355 N -3.95 0.11 -3.22 2.37 5.02 -0.24 -4.88 118.16 113.36 1qis n LYS 355 Ca -0.02 -0.03 -0.34 0.00 -2.02 0.00 0.00 58.31 55.89 1qis n LYS 355 Cb 0.17 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.62 1qis n LYS 355 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1qis s GLN 356 N -2.91 4.06 0.11 1.97 -0.21 -0.98 -4.88 119.66 116.81 1qis s GLN 356 Ca 0.16 0.64 0.03 0.00 0.02 0.00 0.00 55.36 56.21 1qis s GLN 356 Cb 0.19 -2.75 -0.04 0.00 1.00 0.00 0.00 33.01 31.41 1qis s GLN 356 CO 0.57 0.35 0.13 -0.80 -2.12 0.00 0.00 175.29 173.41 1qis s ASN 357 N -1.92 5.69 0.00 5.90 0.01 -0.11 -5.02 114.94 119.50 1qis s ASN 357 Ca 0.45 0.00 0.00 0.00 -0.71 0.00 0.00 52.86 52.60 1qis s ASN 357 Cb -0.14 -1.56 0.00 0.00 0.41 0.00 0.00 41.25 39.96 1qis s ASN 357 CO 0.20 0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.53 1qis n GLY 358 N 0.11 -1.74 0.19 0.66 0.00 -1.25 -4.44 105.19 98.71 1qis n GLY 358 Ca -0.08 -1.58 0.07 0.00 0.00 0.00 0.00 46.02 44.43 1qis n GLY 358 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1qis h MET 359 N 0.00 0.00 -5.92 1.61 2.86 -1.93 -3.47 114.93 108.08 1qis h MET 359 Ca 0.00 0.00 -0.67 0.00 -2.06 0.00 0.00 59.70 56.97 1qis h MET 359 Cb 0.00 0.00 -0.20 0.00 0.06 0.00 0.00 31.60 31.46 1qis h MET 359 CO 0.00 0.34 -0.69 -0.06 1.06 0.00 0.00 176.91 177.55 1qis s PHE 360 N -3.39 2.95 -0.27 -0.22 0.08 -1.26 -0.14 117.98 115.73 1qis s PHE 360 Ca 0.02 -0.08 -0.07 0.00 0.12 0.00 0.00 56.93 56.92 1qis s PHE 360 Cb 0.09 -1.77 -0.00 0.00 -0.57 0.00 0.00 43.02 40.77 1qis s PHE 360 CO 0.68 0.23 0.06 0.45 -0.10 0.00 0.00 175.22 176.54 1qis s SER 361 N -0.50 5.02 -0.67 1.36 0.15 -0.88 -4.09 113.70 114.08 1qis s SER 361 Ca 0.07 -0.52 -0.21 0.00 0.70 0.00 0.00 55.95 56.00 1qis s SER 361 Cb -0.12 -1.88 0.09 0.00 -1.71 0.00 0.00 66.02 62.41 1qis s SER 361 CO 0.02 -0.12 0.89 0.12 1.20 0.00 0.00 173.24 175.35 1qis s PHE 362 N 1.53 2.85 0.39 3.44 5.36 -1.26 -1.12 117.98 129.17 1qis s PHE 362 Ca 0.04 -0.82 0.18 0.00 -0.96 0.00 0.00 56.93 55.38 1qis s PHE 362 Cb -0.16 -4.19 1.01 0.00 -0.34 0.00 0.00 43.02 39.34 1qis s PHE 362 CO 0.02 -1.50 1.94 0.66 -1.46 0.00 0.00 175.22 174.88 1qis h SER 363 N 9.32 0.00 0.00 6.13 4.64 -1.78 -3.47 113.55 128.39 1qis h SER 363 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1qis h SER 363 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1qis h SER 363 CO 1.14 0.24 0.00 0.61 -0.87 0.00 0.00 176.83 177.95 1qis n GLY 364 N -0.63 0.69 3.79 -0.77 0.00 -1.26 -5.04 105.19 101.97 1qis n GLY 364 Ca -0.02 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1qis n GLY 364 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qis s LEU 365 N 0.00 4.15 0.63 0.99 1.43 -1.26 -5.03 118.68 119.59 1qis s LEU 365 Ca 0.00 1.97 -0.10 0.00 -1.03 0.00 0.00 54.13 54.98 1qis s LEU 365 Cb 0.00 -4.19 -0.01 0.00 0.03 0.00 0.00 46.19 42.02 1qis s LEU 365 CO 0.00 -0.42 1.01 0.42 0.23 0.00 0.00 176.35 177.59 1qis s THR 366 N -1.70 4.09 0.30 5.49 -4.23 -1.26 -4.28 115.64 114.04 1qis s THR 366 Ca 0.57 0.51 0.05 0.00 -1.18 0.00 0.00 61.69 61.64 1qis s THR 366 Cb -0.20 -3.65 0.29 0.00 1.34 0.00 0.00 72.50 70.28 1qis s THR 366 CO 0.26 -0.80 1.71 0.50 -0.54 0.00 0.00 174.62 175.74 1qis h LYS 367 N -0.37 0.46 -0.05 3.99 3.64 -1.94 -0.81 116.57 121.49 1qis h LYS 367 Ca -0.45 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 58.71 1qis h LYS 367 Cb 1.23 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1qis h LYS 367 CO 0.62 0.31 -0.77 0.93 -2.27 0.00 0.00 179.45 178.27 1qis h GLU 368 N 0.48 0.35 -0.35 1.90 3.07 -1.93 -0.81 114.58 117.28 1qis h GLU 368 Ca 0.58 -0.31 -0.16 0.00 -0.50 0.00 0.00 59.36 58.97 1qis h GLU 368 Cb 1.09 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 29.06 1qis h GLU 368 CO -0.50 0.97 -0.39 1.96 -1.40 0.00 0.00 179.01 179.64 1qis h GLN 369 N 0.23 0.89 -0.71 2.33 4.20 -1.68 0.43 115.11 120.80 1qis h GLN 369 Ca -0.04 -0.49 -0.04 0.00 0.06 0.00 0.00 58.65 58.14 1qis h GLN 369 Cb 1.36 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.13 1qis h GLN 369 CO 0.13 1.13 0.28 0.28 -0.67 0.00 0.00 178.83 179.99 1qis h VAL 370 N 0.70 1.25 -0.53 -0.54 2.07 -1.10 0.57 116.25 118.66 1qis h VAL 370 Ca 0.05 -0.78 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 1qis h VAL 370 Cb 0.99 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1qis h VAL 370 CO 0.10 0.31 0.02 0.25 0.02 0.00 0.00 177.57 178.27 1qis h LEU 371 N 1.02 0.91 -0.69 2.57 5.85 -1.01 -2.74 115.31 121.21 1qis h LEU 371 Ca 0.24 -0.30 -0.12 0.00 0.84 0.00 0.00 57.88 58.54 1qis h LEU 371 Cb 0.21 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1qis h LEU 371 CO -0.02 0.99 -0.28 -0.09 -0.34 0.00 0.00 178.44 178.70 1qis h ARG 372 N 0.81 0.70 -0.99 1.25 2.43 -0.42 -1.05 114.38 117.13 1qis h ARG 372 Ca 0.15 -0.30 0.06 0.00 -0.81 0.00 0.00 59.98 59.08 1qis h ARG 372 Cb 0.51 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.97 1qis h ARG 372 CO 0.02 0.90 0.64 -0.07 -1.51 0.00 0.00 179.97 179.96 1qis h LEU 373 N 0.60 1.03 0.41 3.80 3.38 -0.70 0.11 115.31 123.95 1qis h LEU 373 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1qis h LEU 373 Cb 0.78 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1qis h LEU 373 CO 0.06 0.68 -0.20 -0.09 0.09 0.00 0.00 178.44 178.98 1qis h ARG 374 N 1.18 -0.53 -0.95 1.13 2.43 -1.20 -0.88 114.38 115.57 1qis h ARG 374 Ca 0.42 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.67 1qis h ARG 374 Cb 0.11 0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.72 1qis h ARG 374 CO -0.16 -0.34 0.61 1.05 -1.51 0.00 0.00 179.97 179.62 1qis h GLU 375 N -1.14 1.11 0.00 0.20 4.11 -1.09 -0.66 114.58 117.11 1qis h GLU 375 Ca -0.06 -0.07 -0.30 0.00 0.07 0.00 0.00 59.36 59.01 1qis h GLU 375 Cb 0.43 -0.25 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 1qis h GLU 375 CO 0.09 0.73 -2.16 -1.91 0.07 0.00 0.00 179.01 175.83 1qis n GLU 376 N -4.52 0.67 0.00 1.06 2.13 0.02 -4.63 120.64 115.37 1qis n GLU 376 Ca 0.14 0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.99 1qis n GLU 376 Cb 0.15 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.27 1qis n GLU 376 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1qis n PHE 377 N -2.75 0.00 -1.83 4.31 3.72 -0.71 -5.02 117.46 115.19 1qis n PHE 377 Ca -0.25 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 56.98 1qis n PHE 377 Cb 1.05 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.54 1qis n PHE 377 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qis n GLY 378 N 0.36 0.91 3.49 1.37 0.00 -0.25 -4.78 105.19 106.28 1qis n GLY 378 Ca 0.00 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 1qis n GLY 378 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qis s VAL 379 N -2.73 5.04 -0.31 1.61 1.01 -0.60 -0.67 120.40 123.76 1qis s VAL 379 Ca 0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 1qis s VAL 379 Cb 0.00 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 1qis s VAL 379 CO 0.00 -0.01 0.30 -0.31 0.00 0.00 0.00 175.10 175.07 1qis s TYR 380 N 1.68 3.22 0.18 5.22 1.51 -0.08 -2.60 117.35 126.48 1qis s TYR 380 Ca 0.05 0.09 0.04 0.00 -1.01 0.00 0.00 57.07 56.24 1qis s TYR 380 Cb -0.17 -2.53 -0.05 0.00 -0.11 0.00 0.00 41.96 39.09 1qis s TYR 380 CO 0.09 -0.29 -0.05 0.00 -1.11 0.00 0.00 175.55 174.19 1qis s ALA 381 N 1.91 1.53 0.39 3.71 0.00 -1.26 -0.15 121.76 127.88 1qis s ALA 381 Ca 0.10 -1.59 -0.25 0.00 0.00 0.00 0.00 51.96 50.22 1qis s ALA 381 Cb -0.16 0.29 -0.09 0.00 0.00 0.00 0.00 23.12 23.16 1qis s ALA 381 CO 0.11 -0.19 1.10 0.08 0.00 0.00 0.00 175.76 176.85 1qis s VAL 382 N -3.43 3.50 0.60 0.00 1.01 -0.80 -4.89 120.40 116.38 1qis s VAL 382 Ca 0.22 1.22 0.29 0.00 0.00 0.00 0.00 61.98 63.70 1qis s VAL 382 Cb 0.04 -3.67 0.36 0.00 0.00 0.00 0.00 36.38 33.12 1qis s VAL 382 CO 0.04 0.08 1.89 0.00 0.00 0.00 0.00 175.10 177.11 1qis h ALA 383 N 2.70 2.02 0.00 5.51 0.00 -1.89 0.30 119.26 127.90 1qis h ALA 383 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1qis h ALA 383 Cb 1.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1qis h ALA 383 CO 0.63 -0.65 0.00 -1.13 0.00 0.00 0.00 179.25 178.10 1qis n SER 384 N -3.55 0.00 0.00 0.00 3.41 -1.26 -4.20 113.62 108.02 1qis n SER 384 Ca 0.06 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1qis n SER 384 Cb 0.62 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1qis n SER 384 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qis n GLY 385 N 0.46 0.74 3.69 5.00 0.00 0.11 -4.75 105.19 110.43 1qis n GLY 385 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1qis n GLY 385 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qis s ARG 386 N -0.57 4.35 -0.03 1.61 3.52 -1.22 -2.19 118.95 124.41 1qis s ARG 386 Ca 0.00 1.78 0.07 0.00 -0.13 0.00 0.00 55.73 57.46 1qis s ARG 386 Cb 0.00 -3.51 -0.02 0.00 -1.56 0.00 0.00 34.95 29.86 1qis s ARG 386 CO 0.00 -0.44 -0.25 0.14 -0.81 0.00 0.00 175.30 173.94 1qis s VAL 387 N 2.00 2.12 -0.58 7.11 -7.23 -0.28 -1.91 120.40 121.63 1qis s VAL 387 Ca 0.59 -1.07 -0.25 0.00 -1.81 0.00 0.00 61.98 59.43 1qis s VAL 387 Cb -0.28 -1.74 0.04 0.00 0.56 0.00 0.00 36.38 34.96 1qis s VAL 387 CO 0.25 0.58 1.03 0.21 -0.31 0.00 0.00 175.10 176.86 1qis s ASN 388 N -0.49 6.34 0.42 4.85 2.47 -0.29 -2.08 114.94 126.16 1qis s ASN 388 Ca 0.06 -0.30 0.14 0.00 0.42 0.00 0.00 52.86 53.19 1qis s ASN 388 Cb -0.11 -2.47 0.89 0.00 -1.45 0.00 0.00 41.25 38.11 1qis s ASN 388 CO 0.00 -1.35 1.92 0.58 -3.72 0.00 0.00 177.10 174.53 1qis h VAL 389 N 6.05 1.16 0.00 -5.21 2.07 -0.88 -2.16 116.25 117.28 1qis h VAL 389 Ca -0.26 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1qis h VAL 389 Cb 1.07 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1qis h VAL 389 CO 1.13 0.26 0.00 0.00 0.02 0.00 0.00 177.57 178.99 1qis n ALA 390 N -2.47 1.83 1.13 1.67 0.00 -1.24 -1.65 120.51 119.77 1qis n ALA 390 Ca -0.02 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.47 1qis n ALA 390 Cb 0.32 -1.27 0.24 0.00 0.00 0.00 0.00 19.45 18.74 1qis n ALA 390 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qis n GLY 391 N 0.15 -0.64 3.85 0.00 0.00 -0.81 -2.02 105.19 105.72 1qis n GLY 391 Ca 0.06 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 1qis n GLY 391 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qis s MET 392 N -2.63 4.00 0.16 1.61 -1.94 -0.66 -4.88 119.30 114.95 1qis s MET 392 Ca 0.19 0.55 -0.02 0.00 -1.71 0.00 0.00 55.69 54.71 1qis s MET 392 Cb 0.18 -2.75 -0.04 0.00 2.01 0.00 0.00 34.83 34.24 1qis s MET 392 CO 0.59 0.35 0.11 0.95 -0.01 0.00 0.00 175.02 177.01 1qis s THR 393 N -1.67 0.06 0.29 2.05 -4.23 -1.26 -4.92 115.64 105.96 1qis s THR 393 Ca 0.45 -1.89 0.33 0.00 -1.18 0.00 0.00 61.69 59.39 1qis s THR 393 Cb -0.13 -2.19 0.36 0.00 1.34 0.00 0.00 72.50 71.88 1qis s THR 393 CO 0.20 -0.29 2.06 -0.65 -0.54 0.00 0.00 174.62 175.40 1qis h PRO 394 N 2.75 0.00 0.04 3.99 0.11 -1.98 -1.33 132.00 135.58 1qis h PRO 394 Ca -0.35 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.49 1qis h PRO 394 Cb 1.22 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.35 1qis h PRO 394 CO 0.56 0.06 -1.11 -0.44 -0.21 0.00 0.00 178.00 176.86 1qis h ASP 395 N 0.00 0.85 -0.17 -2.05 5.19 -1.96 -3.32 116.42 114.95 1qis h ASP 395 Ca -0.00 -0.72 0.00 0.00 -0.62 0.00 0.00 57.03 55.69 1qis h ASP 395 Cb 0.40 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.65 1qis h ASP 395 CO 0.01 1.52 0.00 -0.46 -3.12 0.00 0.00 179.24 177.19 1qis n ASN 396 N -3.81 3.12 -0.21 6.45 2.04 -1.06 -4.51 115.26 117.28 1qis n ASN 396 Ca -0.11 -1.98 -0.08 0.00 -0.44 0.00 0.00 54.58 51.97 1qis n ASN 396 Cb 0.92 -0.10 0.03 0.00 -2.53 0.00 0.00 39.78 38.09 1qis n ASN 396 CO 0.00 0.00 0.00 -0.03 -0.44 0.00 0.00 177.26 176.79 1qis h MET 397 N 4.52 0.91 0.03 -3.83 4.05 -1.35 -2.50 114.93 116.77 1qis h MET 397 Ca 0.00 -0.20 -0.00 0.00 -0.28 0.00 0.00 59.70 59.22 1qis h MET 397 Cb 0.97 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 1qis h MET 397 CO 0.00 0.82 -0.02 0.00 0.23 0.00 0.00 176.91 177.94 1qis h ALA 398 N 1.05 -0.05 -0.15 0.39 0.00 -1.79 -0.88 119.26 117.84 1qis h ALA 398 Ca 0.19 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1qis h ALA 398 Cb 0.28 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1qis h ALA 398 CO -0.01 -0.33 -0.09 -1.00 0.00 0.00 0.00 179.25 177.82 1qis h PRO 399 N -0.44 0.23 -0.17 0.00 0.13 -1.84 -0.43 132.00 129.47 1qis h PRO 399 Ca -0.00 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 65.04 1qis h PRO 399 Cb 0.41 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.50 1qis h PRO 399 CO 0.01 0.34 -0.06 1.25 -0.23 0.00 0.00 178.00 179.31 1qis h LEU 400 N 0.22 0.34 -1.30 1.56 5.85 -1.44 -1.61 115.31 118.94 1qis h LEU 400 Ca 0.05 -0.39 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 1qis h LEU 400 Cb 0.31 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1qis h LEU 400 CO 0.02 0.66 -0.33 0.00 -0.34 0.00 0.00 178.44 178.44 1qis h GLU 402 N 0.00 0.77 -0.40 0.00 5.08 -0.98 -1.92 114.58 117.13 1qis h GLU 402 Ca -0.00 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1qis h GLU 402 Cb 0.65 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1qis h GLU 402 CO 0.04 0.99 0.21 0.00 -1.00 0.00 0.00 179.01 179.25 1qis h ALA 403 N 0.77 0.51 -0.08 3.43 0.00 -0.84 -2.34 119.26 120.71 1qis h ALA 403 Ca 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1qis h ALA 403 Cb 0.79 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1qis h ALA 403 CO 0.06 0.05 0.04 0.82 0.00 0.00 0.00 179.25 180.22 1qis h ILE 404 N 0.51 1.12 -0.16 0.00 2.04 -1.32 -2.52 117.51 117.18 1qis h ILE 404 Ca 0.14 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1qis h ILE 404 Cb 0.08 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1qis h ILE 404 CO -0.02 0.10 0.06 -0.37 0.00 0.00 0.00 178.15 177.93 1qis h VAL 405 N 0.01 1.07 0.00 1.67 -1.51 -1.29 -1.66 116.25 114.53 1qis h VAL 405 Ca 0.03 -0.22 -0.03 0.00 -1.23 0.00 0.00 66.70 65.25 1qis h VAL 405 Cb 0.13 0.88 -0.00 0.00 -2.13 0.00 0.00 31.29 30.16 1qis h VAL 405 CO -0.00 0.08 -0.14 0.00 -1.23 0.00 0.00 177.57 176.28 1qis h ALA 407 N 1.85 1.08 -0.01 5.19 0.00 -1.00 -3.04 119.26 123.33 1qis h ALA 407 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1qis h ALA 407 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1qis h ALA 407 CO -0.01 0.18 -0.64 1.33 0.00 0.00 0.00 179.25 180.11 1qis n VAL 408 N -3.37 0.00 1.38 0.00 0.24 -0.64 -5.10 118.33 110.82 1qis n VAL 408 Ca -0.00 -0.10 0.11 0.00 -2.04 0.00 0.00 64.34 62.31 1qis n VAL 408 Cb 0.34 0.86 0.65 0.00 -1.47 0.00 0.00 33.84 34.23 1qis n VAL 408 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87