#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qis h VAL 23 N 0.00 0.66 -0.13 5.18 3.04 -1.99 -1.97 116.25 121.03 2qis h VAL 23 Ca 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.64 2qis h VAL 23 Cb 0.00 0.95 -0.00 0.00 -2.01 0.00 0.00 31.29 30.23 2qis h VAL 23 CO 0.00 0.00 -0.12 1.88 -1.01 0.00 0.00 177.57 178.32 2qis h TYR 24 N 0.00 0.37 -0.54 3.17 -1.99 -1.96 -2.22 116.97 113.80 2qis h TYR 24 Ca 0.03 -0.11 0.02 0.00 2.00 0.00 0.00 58.73 60.67 2qis h TYR 24 Cb 0.17 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 38.79 2qis h TYR 24 CO 0.00 0.70 0.36 0.00 -0.00 0.00 0.00 178.16 179.22 2qis h ALA 25 N 0.61 1.66 -0.65 3.88 0.00 -1.89 -1.52 119.26 121.35 2qis h ALA 25 Ca 0.02 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2qis h ALA 25 Cb 0.63 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2qis h ALA 25 CO 0.03 0.30 0.10 -0.56 0.00 0.00 0.00 179.25 179.12 2qis h GLN 26 N 0.69 1.08 0.00 0.00 3.07 -1.30 -3.28 115.11 115.37 2qis h GLN 26 Ca 0.20 -0.29 0.00 0.00 0.09 0.00 0.00 58.65 58.65 2qis h GLN 26 Cb -0.02 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 27.42 2qis h GLN 26 CO -0.05 0.99 -0.61 0.39 0.09 0.00 0.00 178.83 179.65 2qis n GLU 27 N -4.24 0.21 0.16 0.06 -0.58 -0.84 -4.48 120.64 110.92 2qis n GLU 27 Ca 0.04 0.06 -0.14 0.00 -0.42 0.00 0.00 57.16 56.69 2qis n GLU 27 Cb 0.29 -1.63 -0.08 0.00 -0.57 0.00 0.00 31.44 29.45 2qis n GLU 27 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2qis h LYS 28 N 0.00 -0.34 -0.22 3.49 3.64 -1.35 -2.72 116.57 119.07 2qis h LYS 28 Ca 0.00 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 2qis h LYS 28 Cb 0.67 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.50 2qis h LYS 28 CO 0.00 -0.14 -0.37 1.96 -2.27 0.00 0.00 179.45 178.63 2qis h GLN 29 N -0.49 -0.38 -0.98 1.90 4.20 -1.78 0.49 115.11 118.07 2qis h GLN 29 Ca -0.04 0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.81 2qis h GLN 29 Cb 0.37 0.09 -0.08 0.00 0.30 0.00 0.00 27.48 28.16 2qis h GLN 29 CO 0.06 -0.25 0.62 -0.44 -0.67 0.00 0.00 178.83 178.15 2qis h ASP 30 N -0.39 0.91 0.33 1.46 3.32 -1.86 0.70 116.42 120.89 2qis h ASP 30 Ca 0.11 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 2qis h ASP 30 Cb 0.58 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2qis h ASP 30 CO -0.43 0.51 -0.16 0.15 -1.72 0.00 0.00 179.24 177.59 2qis h PHE 31 N 1.00 -0.42 -0.61 4.55 3.57 -0.35 -2.29 116.94 122.38 2qis h PHE 31 Ca 0.47 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.93 2qis h PHE 31 Cb 0.42 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 2qis h PHE 31 CO -0.00 -0.09 0.28 0.28 -2.23 0.00 0.00 178.31 176.55 2qis h VAL 32 N -0.77 1.20 0.00 1.41 2.07 0.08 -1.68 116.25 118.56 2qis h VAL 32 Ca -0.05 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 2qis h VAL 32 Cb 0.51 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2qis h VAL 32 CO 0.08 0.24 -0.11 1.56 0.02 0.00 0.00 177.57 179.36 2qis h GLN 33 N 0.86 0.00 0.00 1.57 4.20 -0.83 -2.34 115.11 118.57 2qis h GLN 33 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2qis h GLN 33 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2qis h GLN 33 CO -0.03 0.11 0.00 1.25 -0.67 0.00 0.00 178.83 179.49 2qis h HIS 34 N 0.00 0.00 -0.87 2.96 2.76 -0.70 -3.15 115.15 116.15 2qis h HIS 34 Ca -0.00 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 2qis h HIS 34 Cb 0.23 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.15 2qis h HIS 34 CO 0.00 0.00 0.44 0.35 -1.30 0.00 0.00 177.93 177.42 2qis h PHE 35 N 0.00 1.23 -0.69 5.26 3.57 -1.47 -0.71 116.94 124.13 2qis h PHE 35 Ca 0.00 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.47 2qis h PHE 35 Cb 0.46 -0.39 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 2qis h PHE 35 CO 0.00 0.87 0.46 0.66 -2.23 0.00 0.00 178.31 178.07 2qis h SER 36 N 1.23 0.76 -0.33 0.41 4.64 -1.74 -0.14 113.55 118.39 2qis h SER 36 Ca 0.30 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.46 2qis h SER 36 Cb 0.08 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 2qis h SER 36 CO -0.04 0.54 -0.35 -0.61 -0.87 0.00 0.00 176.83 175.51 2qis h GLN 37 N 0.90 0.82 -0.13 4.77 4.15 -1.53 -1.28 115.11 122.80 2qis h GLN 37 Ca 0.26 -0.44 0.04 0.00 0.77 0.00 0.00 58.65 59.29 2qis h GLN 37 Cb -0.05 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.61 2qis h GLN 37 CO -0.06 1.07 -0.18 0.82 -1.93 0.00 0.00 178.83 178.55 2qis h ILE 38 N 0.60 0.54 -0.53 2.39 1.08 -0.22 0.28 117.51 121.66 2qis h ILE 38 Ca 0.05 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.49 2qis h ILE 38 Cb 0.93 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 35.20 2qis h ILE 38 CO 0.09 0.00 0.21 0.58 -0.69 0.00 0.00 178.15 178.34 2qis h VAL 39 N -0.22 1.22 -0.02 1.67 2.07 -1.04 -0.76 116.25 119.16 2qis h VAL 39 Ca 0.10 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.96 2qis h VAL 39 Cb 0.36 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2qis h VAL 39 CO -0.26 0.25 -0.03 0.03 0.02 0.00 0.00 177.57 177.59 2qis h ARG 40 N 0.71 -0.03 -0.73 1.57 3.08 -0.87 -0.92 114.38 117.18 2qis h ARG 40 Ca 0.18 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 2qis h ARG 40 Cb 0.19 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 2qis h ARG 40 CO -0.01 -0.02 0.37 0.28 -1.07 0.00 0.00 179.97 179.51 2qis h VAL 41 N -0.04 1.23 0.00 2.04 2.07 -0.77 -1.23 116.25 119.54 2qis h VAL 41 Ca 0.02 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.93 2qis h VAL 41 Cb 0.06 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2qis h VAL 41 CO -0.05 0.26 0.00 -0.07 0.02 0.00 0.00 177.57 177.74 2qis h LEU 42 N 1.02 0.00 -1.89 2.57 3.38 -0.87 -3.06 115.31 116.46 2qis h LEU 42 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2qis h LEU 42 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2qis h LEU 42 CO -0.04 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.84 2qis n THR 43 N -2.53 0.24 0.64 0.22 -2.24 -0.38 -4.65 114.28 105.59 2qis n THR 43 Ca 0.04 -0.62 0.13 0.00 -2.27 0.00 0.00 64.05 61.33 2qis n THR 43 Cb 0.40 1.11 0.36 0.00 -2.10 0.00 0.00 70.33 70.10 2qis n THR 43 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qis n GLU 44 N 0.85 0.25 -0.30 -0.78 4.71 -0.49 -2.82 120.64 122.06 2qis n GLU 44 Ca 0.10 0.17 0.04 0.00 -0.01 0.00 0.00 57.16 57.47 2qis n GLU 44 Cb 0.40 -1.76 0.17 0.00 -1.01 0.00 0.00 31.44 29.24 2qis n GLU 44 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2qis n ASP 45 N -2.18 2.52 -3.69 1.62 10.43 -1.26 -5.03 116.55 118.96 2qis n ASP 45 Ca 0.05 -2.21 -0.41 0.00 2.57 0.00 0.00 54.79 54.79 2qis n ASP 45 Cb 0.43 -0.40 -0.09 0.00 1.84 0.00 0.00 41.12 42.89 2qis n ASP 45 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 2qis n GLU 46 N 0.41 0.73 -3.59 -1.24 2.13 -1.13 -4.77 120.64 113.19 2qis n GLU 46 Ca 0.12 -1.49 -0.22 0.00 0.66 0.00 0.00 57.16 56.23 2qis n GLU 46 Cb 0.49 -2.85 0.00 0.00 0.27 0.00 0.00 31.44 29.35 2qis n GLU 46 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2qis n HIS 49 N 9.44 -1.22 0.25 4.31 8.25 -1.26 -5.04 115.22 129.94 2qis n HIS 49 Ca 0.48 0.38 0.07 0.00 -0.26 0.00 0.00 57.72 58.39 2qis n HIS 49 Cb 0.42 -1.87 0.59 0.00 1.12 0.00 0.00 29.99 30.25 2qis n HIS 49 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2qis h PRO 50 N -0.20 0.00 -0.43 -0.41 0.11 -2.03 -2.99 132.00 126.06 2qis h PRO 50 Ca -0.46 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.78 2qis h PRO 50 Cb 0.96 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 2qis h PRO 50 CO 0.29 0.08 0.37 1.05 -0.21 0.00 0.00 178.00 179.58 2qis h GLU 51 N 0.00 0.00 -0.57 1.05 4.11 -1.97 -0.85 114.58 116.35 2qis h GLU 51 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2qis h GLU 51 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2qis h GLU 51 CO 0.01 0.00 0.00 0.44 0.07 0.00 0.00 179.01 179.53 2qis n ILE 52 N -4.03 0.97 -0.01 -1.06 -5.35 -1.13 -4.59 119.36 104.16 2qis n ILE 52 Ca 0.07 -0.78 0.03 0.00 -0.27 0.00 0.00 62.75 61.81 2qis n ILE 52 Cb 0.56 0.22 0.40 0.00 -1.74 0.00 0.00 39.64 39.08 2qis n ILE 52 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2qis h GLY 53 N 4.73 0.60 1.37 3.28 0.00 -1.33 -0.76 103.07 110.95 2qis h GLY 53 Ca 0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 2qis h GLY 53 CO 0.07 0.23 -0.06 -0.55 0.00 0.00 0.00 176.54 176.23 2qis h ASP 54 N 0.57 0.74 -0.18 0.19 3.32 -1.83 -0.85 116.42 118.38 2qis h ASP 54 Ca 0.15 -0.20 -0.17 0.00 0.02 0.00 0.00 57.03 56.84 2qis h ASP 54 Cb -0.02 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 2qis h ASP 54 CO -0.03 0.84 -0.50 0.00 -1.72 0.00 0.00 179.24 177.84 2qis h ALA 55 N 1.23 0.61 -0.31 3.45 0.00 -1.60 -2.36 119.26 120.28 2qis h ALA 55 Ca 0.13 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 2qis h ALA 55 Cb 0.52 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2qis h ALA 55 CO 0.03 0.68 -0.25 0.82 0.00 0.00 0.00 179.25 180.52 2qis h ILE 56 N 0.59 1.27 -0.67 0.00 1.08 -0.94 -0.55 117.51 118.29 2qis h ILE 56 Ca 0.03 -1.32 -0.04 0.00 -0.39 0.00 0.00 64.86 63.13 2qis h ILE 56 Cb 1.07 1.31 -0.03 0.00 -3.07 0.00 0.00 36.82 36.10 2qis h ILE 56 CO 0.11 0.43 0.25 0.00 -0.69 0.00 0.00 178.15 178.24 2qis h ALA 57 N 1.20 0.87 -0.49 1.87 0.00 -1.07 -0.43 119.26 121.21 2qis h ALA 57 Ca 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2qis h ALA 57 Cb 0.71 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2qis h ALA 57 CO 0.05 0.51 0.18 -0.09 0.00 0.00 0.00 179.25 179.91 2qis h ARG 58 N 0.96 0.74 -0.67 0.00 9.65 -1.22 -1.65 114.38 122.20 2qis h ARG 58 Ca 0.22 -0.14 0.01 0.00 -1.10 0.00 0.00 59.98 58.97 2qis h ARG 58 Cb 0.24 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.67 2qis h ARG 58 CO -0.01 0.68 0.44 1.25 2.80 0.00 0.00 179.97 185.12 2qis h LEU 59 N 0.65 0.76 -0.69 3.80 5.85 -0.62 -0.44 115.31 124.61 2qis h LEU 59 Ca 0.16 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.89 2qis h LEU 59 Cb 0.22 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 2qis h LEU 59 CO -0.01 0.55 0.44 0.50 -0.34 0.00 0.00 178.44 179.58 2qis h LYS 60 N 0.90 0.84 -0.66 1.25 3.64 -0.84 0.58 116.57 122.28 2qis h LYS 60 Ca 0.25 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2qis h LYS 60 Cb -0.10 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.50 2qis h LYS 60 CO -0.06 0.56 0.40 1.49 -2.27 0.00 0.00 179.45 179.57 2qis h GLU 61 N 0.87 0.89 -0.60 1.90 4.81 -0.59 -0.63 114.58 121.24 2qis h GLU 61 Ca 0.27 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 2qis h GLU 61 Cb -0.00 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 2qis h GLU 61 CO -0.10 0.63 0.12 0.28 -0.73 0.00 0.00 179.01 179.22 2qis h VAL 62 N 0.89 1.25 -0.07 0.32 2.07 -0.46 -0.84 116.25 119.41 2qis h VAL 62 Ca 0.24 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 2qis h VAL 62 Cb -0.03 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2qis h VAL 62 CO -0.04 0.35 0.01 -0.07 0.02 0.00 0.00 177.57 177.84 2qis h LEU 63 N 0.88 0.11 -1.05 2.57 3.38 -0.69 -1.50 115.31 119.00 2qis h LEU 63 Ca 0.18 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2qis h LEU 63 Cb 0.38 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2qis h LEU 63 CO 0.01 0.34 0.33 -0.33 0.09 0.00 0.00 178.44 178.87 2qis h GLU 64 N -0.13 1.00 0.07 1.13 5.08 -1.01 -0.43 114.58 120.29 2qis h GLU 64 Ca 0.02 -0.14 -0.27 0.00 -1.00 0.00 0.00 59.36 57.98 2qis h GLU 64 Cb 0.28 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.36 2qis h GLU 64 CO 0.00 0.78 -1.12 -0.92 -1.00 0.00 0.00 179.01 176.75 2qis h TYR 65 N 0.99 0.77 0.00 4.33 3.20 -1.08 -3.34 116.97 121.84 2qis h TYR 65 Ca 0.24 -0.47 -0.14 0.00 3.14 0.00 0.00 58.73 61.50 2qis h TYR 65 Cb 0.11 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 2qis h TYR 65 CO 0.01 1.32 -1.87 0.09 -1.64 0.00 0.00 178.16 176.07 2qis n ASN 66 N -3.73 1.37 -0.06 -2.11 3.02 -0.57 -4.47 115.26 108.71 2qis n ASN 66 Ca -0.10 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.56 2qis n ASN 66 Cb 0.93 1.28 -0.00 0.00 -0.61 0.00 0.00 39.78 41.38 2qis n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qis n ALA 67 N -2.30 4.29 -2.72 5.41 0.00 -0.18 -4.79 120.51 120.22 2qis n ALA 67 Ca -0.14 -0.54 -0.32 0.00 0.00 0.00 0.00 53.44 52.45 2qis n ALA 67 Cb 0.70 -0.87 -0.16 0.00 0.00 0.00 0.00 19.45 19.13 2qis n ALA 67 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2qis s ILE 68 N -2.93 2.33 0.00 0.00 -1.09 -1.25 -4.72 121.20 113.55 2qis s ILE 68 Ca 0.10 -0.97 0.00 0.00 -2.23 0.00 0.00 60.65 57.56 2qis s ILE 68 Cb 0.17 -1.87 0.00 0.00 -1.58 0.00 0.00 42.46 39.17 2qis s ILE 68 CO 0.79 0.57 0.00 0.61 -1.23 0.00 0.00 174.94 175.67 2qis n GLY 69 N 2.89 1.02 0.00 6.18 0.00 -1.26 -4.82 105.19 109.19 2qis n GLY 69 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2qis n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qis n GLY 70 N 0.00 0.46 0.11 -0.02 0.00 -1.26 -4.95 105.19 99.52 2qis n GLY 70 Ca 0.00 -1.91 0.12 0.00 0.00 0.00 0.00 46.02 44.23 2qis n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qis h LYS 71 N 0.00 0.00 -1.73 1.61 1.57 -2.00 -3.48 116.57 112.54 2qis h LYS 71 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 2qis h LYS 71 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 2qis h LYS 71 CO 0.00 0.00 -0.37 0.66 -0.57 0.00 0.00 179.45 179.17 2qis n TYR 72 N -2.50 -0.48 -0.01 -1.35 4.02 -1.26 -4.92 117.16 110.66 2qis n TYR 72 Ca 0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.85 2qis n TYR 72 Cb 0.50 -3.09 0.12 0.00 -0.02 0.00 0.00 39.34 36.85 2qis n TYR 72 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 2qis h ASN 73 N 0.00 0.58 -0.23 7.72 2.35 -1.98 -0.17 115.58 123.86 2qis h ASN 73 Ca -0.36 -0.24 -0.07 0.00 -0.55 0.00 0.00 56.30 55.08 2qis h ASN 73 Cb 1.19 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 2qis h ASN 73 CO 0.46 0.89 -0.13 0.03 -1.65 0.00 0.00 177.43 177.03 2qis h ARG 74 N 0.47 0.49 -0.31 0.81 3.08 -1.91 -1.69 114.38 115.32 2qis h ARG 74 Ca 0.05 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 2qis h ARG 74 Cb 0.85 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 2qis h ARG 74 CO 0.07 0.78 0.06 0.78 -1.07 0.00 0.00 179.97 180.59 2qis h GLY 75 N 0.20 0.54 1.60 0.04 0.00 -1.70 -2.84 103.07 100.91 2qis h GLY 75 Ca 0.05 -0.35 0.03 0.00 0.00 0.00 0.00 47.33 47.06 2qis h GLY 75 CO 0.04 0.32 0.21 1.41 0.00 0.00 0.00 176.54 178.52 2qis h LEU 76 N 0.34 0.27 -1.24 3.11 3.38 -1.02 -2.07 115.31 118.08 2qis h LEU 76 Ca 0.10 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2qis h LEU 76 Cb 0.31 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2qis h LEU 76 CO 0.00 0.19 0.52 0.74 0.09 0.00 0.00 178.44 179.98 2qis h THR 77 N 0.31 1.19 -0.20 0.22 2.02 -1.05 0.04 112.91 115.45 2qis h THR 77 Ca 0.13 -0.36 0.01 0.00 0.77 0.00 0.00 66.41 66.96 2qis h THR 77 Cb 0.12 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 2qis h THR 77 CO -0.03 0.19 0.10 0.58 0.37 0.00 0.00 175.52 176.73 2qis h VAL 78 N 1.05 1.00 -0.21 3.16 2.07 -1.39 -0.04 116.25 121.89 2qis h VAL 78 Ca 0.29 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.72 2qis h VAL 78 Cb -0.11 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2qis h VAL 78 CO -0.06 0.04 0.06 0.58 0.02 0.00 0.00 177.57 178.20 2qis h VAL 79 N 0.21 1.20 0.06 2.57 2.07 -1.30 0.08 116.25 121.14 2qis h VAL 79 Ca 0.08 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2qis h VAL 79 Cb 0.02 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2qis h VAL 79 CO -0.06 0.20 -0.03 0.58 0.02 0.00 0.00 177.57 178.29 2qis h VAL 80 N 0.17 1.06 -0.61 2.57 2.07 -1.00 -2.18 116.25 118.33 2qis h VAL 80 Ca 0.07 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 2qis h VAL 80 Cb 0.25 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 2qis h VAL 80 CO -0.00 0.10 0.23 0.00 0.02 0.00 0.00 177.57 177.92 2qis h ALA 81 N 0.67 1.27 -0.28 1.67 0.00 -0.97 -2.20 119.26 119.42 2qis h ALA 81 Ca -0.01 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.76 2qis h ALA 81 Cb 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2qis h ALA 81 CO 0.01 0.54 0.13 0.35 0.00 0.00 0.00 179.25 180.28 2qis h PHE 82 N 0.87 0.24 -0.10 0.00 3.57 -0.81 -0.36 116.94 120.35 2qis h PHE 82 Ca 0.21 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 2qis h PHE 82 Cb 0.19 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2qis h PHE 82 CO 0.01 0.13 -0.07 0.00 -2.23 0.00 0.00 178.31 176.16 2qis h ARG 83 N 0.28 0.15 0.00 1.11 2.47 -1.06 -0.16 114.38 117.17 2qis h ARG 83 Ca 0.12 -0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 58.74 2qis h ARG 83 Cb 0.05 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 2qis h ARG 83 CO -0.09 0.23 -0.63 0.93 0.56 0.00 0.00 179.97 180.98 2qis h GLU 84 N 0.15 0.00 0.00 0.04 5.08 -0.77 -3.38 114.58 115.70 2qis h GLU 84 Ca 0.03 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.21 2qis h GLU 84 Cb 0.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2qis h GLU 84 CO 0.01 0.25 -2.02 1.28 -1.00 0.00 0.00 179.01 177.53 2qis n LEU 85 N -3.04 0.00 -4.80 1.33 4.77 -0.20 -4.88 117.00 110.18 2qis n LEU 85 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 2qis n LEU 85 Cb 0.67 0.25 -0.07 0.00 -2.33 0.00 0.00 43.42 41.94 2qis n LEU 85 CO 0.39 0.25 -0.08 -0.69 -1.33 0.00 0.00 177.39 175.93 2qis s VAL 86 N -2.75 5.35 0.37 4.08 1.01 -0.11 -4.95 120.40 123.41 2qis s VAL 86 Ca -0.08 0.41 -0.28 0.00 0.00 0.00 0.00 61.98 62.03 2qis s VAL 86 Cb 0.08 -3.54 -0.11 0.00 0.00 0.00 0.00 36.38 32.81 2qis s VAL 86 CO 0.71 0.51 1.47 -1.61 0.00 0.00 0.00 175.10 176.18 2qis s GLU 87 N -0.32 4.14 0.34 2.72 2.02 -1.26 -4.81 118.70 121.54 2qis s GLU 87 Ca 0.15 2.53 0.10 0.00 0.02 0.00 0.00 54.97 57.77 2qis s GLU 87 Cb -0.13 -2.98 0.85 0.00 0.10 0.00 0.00 34.13 31.96 2qis s GLU 87 CO 0.04 -0.50 1.81 -1.35 0.02 0.00 0.00 175.26 175.29 2qis h PRO 88 N 3.10 0.64 0.00 0.39 0.11 -1.97 0.43 132.00 134.71 2qis h PRO 88 Ca -0.50 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.56 2qis h PRO 88 Cb 1.24 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2qis h PRO 88 CO 0.65 0.42 -0.01 0.00 -0.21 0.00 0.00 178.00 178.85 2qis h ARG 89 N 0.66 0.00 -0.02 1.05 -0.00 -2.02 -1.27 114.38 112.78 2qis h ARG 89 Ca 0.53 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 60.01 2qis h ARG 89 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.93 2qis h ARG 89 CO -0.29 0.01 -0.31 0.36 0.00 0.00 0.00 179.97 179.73 2qis n LYS 90 N -3.62 1.38 -1.59 0.04 2.85 0.15 -4.58 118.16 112.79 2qis n LYS 90 Ca -0.03 -1.07 -0.30 0.00 -1.05 0.00 0.00 58.31 55.86 2qis n LYS 90 Cb 0.09 -1.48 -0.05 0.00 -0.65 0.00 0.00 35.03 32.94 2qis n LYS 90 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2qis n GLN 91 N 0.12 3.12 -0.72 -1.58 6.02 -0.48 -4.84 117.38 119.01 2qis n GLN 91 Ca 0.11 -2.55 -0.28 0.00 -0.01 0.00 0.00 57.00 54.27 2qis n GLN 91 Cb 0.46 -2.31 0.24 0.00 1.02 0.00 0.00 30.24 29.64 2qis n GLN 91 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 2qis s ASP 92 N 0.62 1.21 0.16 1.08 -4.77 -1.26 -4.69 116.67 109.03 2qis s ASP 92 Ca 0.59 1.34 -0.15 0.00 -3.30 0.00 0.00 52.55 51.02 2qis s ASP 92 Cb 0.30 -2.08 0.08 0.00 -1.09 0.00 0.00 42.92 40.13 2qis s ASP 92 CO -0.15 -4.03 1.77 0.00 0.70 0.00 0.00 175.17 173.46 2qis h ALA 93 N -2.51 0.49 -0.40 2.11 0.00 -2.00 -1.40 119.26 115.55 2qis h ALA 93 Ca -0.60 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 2qis h ALA 93 Cb 1.34 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2qis h ALA 93 CO 0.52 -0.20 -0.06 -0.44 0.00 0.00 0.00 179.25 179.07 2qis h ASP 94 N 0.36 0.65 -0.69 0.00 3.32 -1.98 -1.74 116.42 116.34 2qis h ASP 94 Ca 0.18 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 2qis h ASP 94 Cb 0.11 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 2qis h ASP 94 CO -0.15 0.76 0.14 0.28 -1.72 0.00 0.00 179.24 178.56 2qis h SER 95 N 0.63 1.07 -0.46 6.45 0.02 -1.75 -2.13 113.55 117.38 2qis h SER 95 Ca 0.12 -0.25 -0.11 0.00 -0.84 0.00 0.00 61.79 60.71 2qis h SER 95 Cb 0.48 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2qis h SER 95 CO 0.03 1.04 -0.15 -0.07 -1.14 0.00 0.00 176.83 176.53 2qis h LEU 96 N 1.05 0.94 -0.59 5.07 3.38 -1.03 -1.57 115.31 122.55 2qis h LEU 96 Ca 0.21 -0.38 0.07 0.00 0.09 0.00 0.00 57.88 57.88 2qis h LEU 96 Cb 0.41 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 2qis h LEU 96 CO 0.01 1.10 0.27 -0.61 0.09 0.00 0.00 178.44 179.30 2qis h GLN 97 N 0.76 0.48 -0.76 1.13 4.15 -1.26 -0.60 115.11 119.02 2qis h GLN 97 Ca 0.11 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.46 2qis h GLN 97 Cb 0.71 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.26 2qis h GLN 97 CO 0.05 0.32 0.32 0.00 -1.93 0.00 0.00 178.83 177.59 2qis h ARG 98 N 0.50 1.11 -0.48 1.69 3.08 -1.18 -0.85 114.38 118.26 2qis h ARG 98 Ca 0.28 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 2qis h ARG 98 Cb 0.27 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2qis h ARG 98 CO -0.23 0.89 0.04 0.00 -1.07 0.00 0.00 179.97 179.60 2qis h ALA 99 N 1.25 0.64 -0.74 0.04 0.00 -0.42 -0.16 119.26 119.88 2qis h ALA 99 Ca 0.26 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2qis h ALA 99 Cb 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2qis h ALA 99 CO -0.02 0.41 0.30 -1.49 0.00 0.00 0.00 179.25 178.44 2qis h TRP 100 N 0.68 1.11 -0.29 0.00 6.55 -1.01 -0.80 115.95 122.20 2qis h TRP 100 Ca 0.14 -0.08 -0.01 0.00 0.95 0.00 0.00 58.89 59.89 2qis h TRP 100 Cb 0.45 -0.33 -0.01 0.00 -0.86 0.00 0.00 29.16 28.40 2qis h TRP 100 CO 0.03 0.85 0.14 1.15 -1.05 0.00 0.00 178.44 179.56 2qis h THR 101 N 1.05 1.15 -0.38 1.49 2.02 -0.83 -1.35 112.91 116.07 2qis h THR 101 Ca 0.25 -0.43 -0.07 0.00 0.77 0.00 0.00 66.41 66.93 2qis h THR 101 Cb 0.20 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 2qis h THR 101 CO -0.02 0.15 -0.06 0.58 0.37 0.00 0.00 175.52 176.54 2qis h VAL 102 N 0.33 1.23 -0.44 3.16 2.07 -0.86 -0.30 116.25 121.44 2qis h VAL 102 Ca 0.10 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.65 2qis h VAL 102 Cb 0.12 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2qis h VAL 102 CO -0.01 0.34 0.25 1.23 0.02 0.00 0.00 177.57 179.39 2qis h GLY 103 N 0.93 0.61 1.78 2.17 0.00 -0.94 -1.74 103.07 105.88 2qis h GLY 103 Ca 0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 2qis h GLY 103 CO 0.02 0.16 -0.12 1.49 0.00 0.00 0.00 176.54 178.08 2qis h TRP 104 N 0.51 0.28 -0.84 5.60 4.06 -0.58 -1.87 115.95 123.10 2qis h TRP 104 Ca 0.18 -0.03 0.02 0.00 2.06 0.00 0.00 58.89 61.11 2qis h TRP 104 Cb 0.03 -0.08 -0.04 0.00 -1.00 0.00 0.00 29.16 28.07 2qis h TRP 104 CO -0.08 0.39 0.56 0.00 -3.56 0.00 0.00 178.44 175.76 2qis h VAL 106 N 1.11 1.24 -0.56 0.00 2.07 -0.57 -0.93 116.25 118.63 2qis h VAL 106 Ca 0.32 -0.88 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 2qis h VAL 106 Cb -0.08 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 2qis h VAL 106 CO -0.08 0.31 0.15 -0.33 0.02 0.00 0.00 177.57 177.64 2qis h GLU 107 N 0.58 0.85 -0.48 1.57 4.39 -0.90 -1.99 114.58 118.59 2qis h GLU 107 Ca 0.13 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.57 2qis h GLU 107 Cb 0.38 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2qis h GLU 107 CO 0.01 0.75 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.47 2qis h LEU 108 N 0.82 0.84 -0.49 1.33 3.38 -0.39 0.30 115.31 121.10 2qis h LEU 108 Ca 0.18 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2qis h LEU 108 Cb 0.28 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2qis h LEU 108 CO -0.00 0.94 0.20 0.25 0.09 0.00 0.00 178.44 179.92 2qis h LEU 109 N 0.78 0.66 -0.50 1.67 5.85 -0.89 -0.96 115.31 121.92 2qis h LEU 109 Ca 0.14 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2qis h LEU 109 Cb 0.56 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 2qis h LEU 109 CO 0.03 0.64 0.33 -0.61 -0.34 0.00 0.00 178.44 178.49 2qis h GLN 110 N 0.64 0.65 -0.38 1.25 4.15 -1.20 -2.13 115.11 118.09 2qis h GLN 110 Ca 0.16 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.59 2qis h GLN 110 Cb 0.18 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.68 2qis h GLN 110 CO -0.02 0.43 0.13 0.00 -1.93 0.00 0.00 178.83 177.44 2qis h ALA 111 N 1.19 0.44 -0.07 3.38 0.00 -0.51 0.02 119.26 123.70 2qis h ALA 111 Ca 0.19 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.18 2qis h ALA 111 Cb -0.07 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2qis h ALA 111 CO -0.05 -0.27 -0.15 0.35 0.00 0.00 0.00 179.25 179.14 2qis h PHE 112 N 0.28 -0.37 -0.56 0.00 3.57 -1.04 -1.09 116.94 117.72 2qis h PHE 112 Ca 0.18 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 2qis h PHE 112 Cb 0.16 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 2qis h PHE 112 CO -0.15 -0.21 0.20 0.74 -2.23 0.00 0.00 178.31 176.65 2qis h PHE 113 N -0.21 0.84 -0.03 0.41 -1.00 -0.89 -2.98 116.94 113.08 2qis h PHE 113 Ca 0.07 -0.05 -0.24 0.00 2.81 0.00 0.00 57.97 60.56 2qis h PHE 113 Cb 0.31 -0.25 0.01 0.00 3.61 0.00 0.00 35.95 39.63 2qis h PHE 113 CO -0.24 0.67 -0.94 -0.07 -1.61 0.00 0.00 178.31 176.12 2qis h LEU 114 N 0.81 0.76 -0.84 1.54 3.38 -0.62 -0.14 115.31 120.21 2qis h LEU 114 Ca 0.19 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 2qis h LEU 114 Cb 0.20 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2qis h LEU 114 CO -0.01 1.38 0.44 0.58 0.09 0.00 0.00 178.44 180.91 2qis h VAL 115 N 0.36 1.25 -0.23 1.22 2.07 -1.15 -0.04 116.25 119.72 2qis h VAL 115 Ca -0.09 -0.66 -0.20 0.00 0.82 0.00 0.00 66.70 66.57 2qis h VAL 115 Cb 1.58 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2qis h VAL 115 CO 0.18 0.29 -0.63 0.00 0.02 0.00 0.00 177.57 177.43 2qis h ALA 116 N 1.23 0.39 -0.79 1.67 0.00 -1.47 -3.12 119.26 117.17 2qis h ALA 116 Ca 0.29 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2qis h ALA 116 Cb 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2qis h ALA 116 CO -0.04 0.66 0.31 0.22 0.00 0.00 0.00 179.25 180.40 2qis h ASP 117 N 0.60 1.10 -0.54 0.00 3.58 -0.73 -1.58 116.42 118.85 2qis h ASP 117 Ca -0.01 -0.18 -0.05 0.00 0.42 0.00 0.00 57.03 57.21 2qis h ASP 117 Cb 1.25 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.99 2qis h ASP 117 CO 0.14 0.98 0.17 0.44 -2.88 0.00 0.00 179.24 178.08 2qis h ASP 118 N 1.15 0.82 0.26 2.28 3.32 -1.01 0.16 116.42 123.40 2qis h ASP 118 Ca 0.26 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2qis h ASP 118 Cb 0.23 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2qis h ASP 118 CO -0.02 0.78 -0.12 0.40 -1.72 0.00 0.00 179.24 178.56 2qis h ILE 119 N 0.86 0.77 0.00 0.35 2.04 -1.37 -1.22 117.51 118.94 2qis h ILE 119 Ca 0.19 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.80 2qis h ILE 119 Cb 0.27 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2qis h ILE 119 CO -0.01 0.04 -0.38 0.24 0.00 0.00 0.00 178.15 178.04 2qis h MET 120 N -0.43 0.00 -0.16 2.37 2.86 -1.00 -2.49 114.93 116.09 2qis h MET 120 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2qis h MET 120 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2qis h MET 120 CO 0.06 0.38 0.00 -0.25 1.06 0.00 0.00 176.91 178.16 2qis n ASP 121 N -3.85 1.73 -3.99 1.22 8.00 0.54 -4.97 116.55 115.24 2qis n ASP 121 Ca -0.01 -1.70 -0.30 0.00 0.71 0.00 0.00 54.79 53.49 2qis n ASP 121 Cb 0.44 -0.10 0.01 0.00 -0.02 0.00 0.00 41.12 41.45 2qis n ASP 121 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2qis n SER 122 N 0.36 -3.32 -4.88 -2.24 7.64 -0.87 -4.94 113.62 105.38 2qis n SER 122 Ca 0.17 -0.88 -0.31 0.00 1.01 0.00 0.00 58.87 58.86 2qis n SER 122 Cb 0.35 -3.47 0.03 0.00 -1.01 0.00 0.00 64.21 60.11 2qis n SER 122 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2qis s SER 123 N -3.58 5.89 -0.21 6.43 0.01 -0.52 -5.02 113.70 116.70 2qis s SER 123 Ca 0.52 1.30 -0.09 0.00 1.31 0.00 0.00 55.95 58.99 2qis s SER 123 Cb -0.27 -2.24 -0.10 0.00 0.21 0.00 0.00 66.02 63.63 2qis s SER 123 CO 0.86 -1.08 -0.26 0.18 0.41 0.00 0.00 173.24 173.36 2qis n LEU 124 N -2.86 1.73 -4.24 2.44 4.77 -1.26 -4.82 117.00 112.74 2qis n LEU 124 Ca 0.06 0.20 -0.15 0.00 -0.03 0.00 0.00 56.01 56.09 2qis n LEU 124 Cb 0.55 -0.63 -0.10 0.00 -2.33 0.00 0.00 43.42 40.91 2qis n LEU 124 CO 0.58 0.50 -0.42 0.42 -1.33 0.00 0.00 177.39 177.14 2qis s THR 125 N -2.39 1.20 -0.22 -5.08 -4.23 -1.26 -1.10 115.64 102.56 2qis s THR 125 Ca -0.29 -1.96 -0.14 0.00 -1.18 0.00 0.00 61.69 58.12 2qis s THR 125 Cb 0.11 -1.74 0.07 0.00 1.34 0.00 0.00 72.50 72.27 2qis s THR 125 CO 0.39 -0.66 0.54 -0.60 -0.54 0.00 0.00 174.62 173.75 2qis s ARG 126 N -3.43 0.56 -1.55 3.99 6.06 0.56 -4.11 118.95 121.03 2qis s ARG 126 Ca 0.14 0.95 -0.14 0.00 -2.50 0.00 0.00 55.73 54.18 2qis s ARG 126 Cb 0.00 0.10 0.10 0.00 0.06 0.00 0.00 34.95 35.22 2qis s ARG 126 CO 0.01 -0.14 0.89 0.54 -2.50 0.00 0.00 175.30 174.10 2qis n ARG 127 N 4.00 -4.82 -0.82 5.12 1.74 -0.55 -1.84 116.66 119.49 2qis n ARG 127 Ca -0.20 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 2qis n ARG 127 Cb 0.57 -5.39 0.00 0.00 -1.02 0.00 0.00 32.46 26.62 2qis n ARG 127 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qis n GLY 128 N -1.57 1.35 3.40 -0.13 0.00 0.71 -4.99 105.19 103.96 2qis n GLY 128 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 2qis n GLY 128 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2qis s GLN 129 N -0.01 1.48 0.31 1.61 -2.07 -0.77 -5.07 119.66 115.15 2qis s GLN 129 Ca 0.00 -1.72 -0.29 0.00 -1.82 0.00 0.00 55.36 51.53 2qis s GLN 129 Cb 0.00 -1.16 -0.13 0.00 -1.09 0.00 0.00 33.01 30.63 2qis s GLN 129 CO 0.00 0.09 1.30 1.51 -1.32 0.00 0.00 175.29 176.88 2qis n ILE 130 N -0.52 1.71 -1.64 3.63 3.06 -1.26 -0.32 119.36 124.01 2qis n ILE 130 Ca -0.06 -0.43 -0.41 0.00 -2.50 0.00 0.00 62.75 59.35 2qis n ILE 130 Cb 0.62 -1.51 0.01 0.00 0.54 0.00 0.00 39.64 39.31 2qis n ILE 130 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2qis h TRP 132 N 1.67 0.21 0.00 0.00 2.91 -1.92 -0.78 115.95 118.05 2qis h TRP 132 Ca -0.46 0.04 -0.02 0.00 1.13 0.00 0.00 58.89 59.59 2qis h TRP 132 Cb 1.33 0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 29.98 2qis h TRP 132 CO 0.45 -0.07 -0.07 0.10 -1.03 0.00 0.00 178.44 177.81 2qis h TYR 133 N 0.25 0.00 0.00 2.65 -0.00 -1.90 -1.98 116.97 115.99 2qis h TYR 133 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.10 2qis h TYR 133 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.33 2qis h TYR 133 CO -0.27 0.07 -0.27 1.04 -0.00 0.00 0.00 178.16 178.73 2qis n GLN 134 N -3.34 0.11 -2.10 0.10 1.13 -0.32 -1.84 117.38 111.11 2qis n GLN 134 Ca -0.01 0.06 -0.42 0.00 -1.94 0.00 0.00 57.00 54.69 2qis n GLN 134 Cb 0.25 -1.59 -0.03 0.00 0.11 0.00 0.00 30.24 28.97 2qis n GLN 134 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2qis s LYS 135 N -3.05 4.29 0.11 -1.09 1.02 -0.74 -4.91 119.74 115.36 2qis s LYS 135 Ca 0.11 2.15 -0.36 0.00 0.02 0.00 0.00 55.97 57.89 2qis s LYS 135 Cb 0.16 -3.26 -0.16 0.00 -0.52 0.00 0.00 37.83 34.06 2qis s LYS 135 CO 0.63 -0.50 1.37 -2.30 -0.92 0.00 0.00 175.35 173.63 2qis n PRO 136 N 4.09 1.35 0.00 -1.68 -0.02 -1.26 -0.83 135.00 136.66 2qis n PRO 136 Ca 0.12 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2qis n PRO 136 Cb 0.41 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2qis n PRO 136 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qis n GLY 137 N 2.64 2.15 0.00 -1.23 0.00 -1.26 -4.91 105.19 102.58 2qis n GLY 137 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2qis n GLY 137 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qis n VAL 138 N -2.00 0.00 -4.85 1.61 0.31 -0.01 -4.98 118.33 108.41 2qis n VAL 138 Ca 0.00 0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 2qis n VAL 138 Cb 0.00 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 2qis n VAL 138 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qis n GLY 139 N 1.98 2.82 0.01 2.92 0.00 -0.77 -2.56 105.19 109.58 2qis n GLY 139 Ca 0.00 -0.38 0.10 0.00 0.00 0.00 0.00 46.02 45.74 2qis n GLY 139 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qis n LEU 140 N 0.00 0.04 0.32 0.99 4.77 -1.26 -1.83 117.00 120.03 2qis n LEU 140 Ca 0.00 0.51 0.17 0.00 -0.03 0.00 0.00 56.01 56.66 2qis n LEU 140 Cb 0.00 -0.50 0.89 0.00 -2.33 0.00 0.00 43.42 41.48 2qis n LEU 140 CO 0.00 -0.17 1.14 0.44 -1.33 0.00 0.00 177.39 177.47 2qis h ASP 141 N 0.00 0.00 -0.45 -1.43 5.19 -1.88 -1.66 116.42 116.19 2qis h ASP 141 Ca 0.00 0.00 0.13 0.00 -0.62 0.00 0.00 57.03 56.54 2qis h ASP 141 Cb 0.35 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.84 2qis h ASP 141 CO 0.00 0.00 0.38 0.00 -3.12 0.00 0.00 179.24 176.50 2qis h ALA 142 N 1.47 2.28 -0.37 3.45 0.00 -1.54 -1.77 119.26 122.78 2qis h ALA 142 Ca 0.01 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2qis h ALA 142 Cb 0.57 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2qis h ALA 142 CO -0.00 -0.61 0.22 0.82 0.00 0.00 0.00 179.25 179.68 2qis h ILE 143 N 0.00 1.05 -0.08 0.00 2.04 -1.55 -0.22 117.51 118.74 2qis h ILE 143 Ca 0.21 -0.16 -0.23 0.00 1.00 0.00 0.00 64.86 65.69 2qis h ILE 143 Cb 0.97 0.56 0.01 0.00 -0.74 0.00 0.00 36.82 37.61 2qis h ILE 143 CO -0.00 0.08 -0.85 -1.13 0.00 0.00 0.00 178.15 176.25 2qis h ASN 144 N 0.45 0.79 -0.89 1.72 -1.24 -1.55 -2.56 115.58 112.31 2qis h ASN 144 Ca 0.14 -0.56 0.13 0.00 0.71 0.00 0.00 56.30 56.73 2qis h ASN 144 Cb -0.01 -0.24 -0.09 0.00 0.73 0.00 0.00 38.32 38.72 2qis h ASN 144 CO -0.06 1.35 0.51 0.44 -1.29 0.00 0.00 177.43 178.38 2qis h ASP 145 N 0.42 0.68 -0.45 1.15 3.32 -1.26 -0.30 116.42 119.97 2qis h ASP 145 Ca -0.07 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2qis h ASP 145 Cb 1.48 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.96 2qis h ASP 145 CO 0.16 0.33 0.11 0.00 -1.72 0.00 0.00 179.24 178.12 2qis h ALA 146 N 1.54 0.60 -0.98 3.45 0.00 -0.81 -2.23 119.26 120.82 2qis h ALA 146 Ca 0.47 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.23 2qis h ALA 146 Cb 0.57 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 2qis h ALA 146 CO -0.31 0.28 0.63 -0.91 0.00 0.00 0.00 179.25 178.94 2qis h ASN 147 N 0.60 1.02 -0.56 0.00 2.35 -0.95 -2.16 115.58 115.87 2qis h ASN 147 Ca 0.14 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.91 2qis h ASN 147 Cb 0.33 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 2qis h ASN 147 CO 0.00 0.66 0.37 -0.07 -1.65 0.00 0.00 177.43 176.74 2qis h LEU 148 N 1.16 0.64 -0.49 1.61 3.38 -0.82 -0.79 115.31 120.00 2qis h LEU 148 Ca 0.42 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.45 2qis h LEU 148 Cb 0.14 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 2qis h LEU 148 CO -0.17 0.46 0.13 -0.07 0.09 0.00 0.00 178.44 178.88 2qis h LEU 149 N 0.76 0.07 -0.29 1.67 3.38 -0.80 -1.37 115.31 118.72 2qis h LEU 149 Ca 0.21 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.29 2qis h LEU 149 Cb -0.08 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2qis h LEU 149 CO -0.05 0.07 0.10 -0.08 0.09 0.00 0.00 178.44 178.56 2qis h GLU 150 N 0.28 0.22 -0.72 1.13 4.81 -1.12 -2.65 114.58 116.52 2qis h GLU 150 Ca 0.24 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.53 2qis h GLU 150 Cb 0.30 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.59 2qis h GLU 150 CO -0.29 0.14 0.48 0.00 -0.73 0.00 0.00 179.01 178.61 2qis h ALA 151 N 1.19 1.74 -0.14 2.92 0.00 -0.63 -2.53 119.26 121.80 2qis h ALA 151 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2qis h ALA 151 Cb 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2qis h ALA 151 CO -0.14 0.14 0.09 0.00 0.00 0.00 0.00 179.25 179.35 2qis h ILE 153 N 0.19 0.55 0.00 0.00 2.04 -1.48 -0.49 117.51 118.33 2qis h ILE 153 Ca 0.05 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.80 2qis h ILE 153 Cb -0.02 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 2qis h ILE 153 CO -0.01 0.00 -0.51 1.88 0.00 0.00 0.00 178.15 179.50 2qis h TYR 154 N -0.36 0.00 -0.36 1.37 -1.99 -1.59 -0.92 116.97 113.12 2qis h TYR 154 Ca 0.03 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 2qis h TYR 154 Cb 0.39 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.11 2qis h TYR 154 CO -0.21 0.51 0.14 0.00 -0.00 0.00 0.00 178.16 178.61 2qis h ARG 155 N 0.00 0.54 -0.35 4.88 3.08 -1.21 -2.01 114.38 119.31 2qis h ARG 155 Ca -0.01 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 59.86 2qis h ARG 155 Cb 1.13 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 2qis h ARG 155 CO 0.07 0.53 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.31 2qis h LEU 156 N 0.43 0.71 -0.72 3.04 3.38 -0.61 -1.21 115.31 120.34 2qis h LEU 156 Ca 0.12 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.76 2qis h LEU 156 Cb 0.19 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2qis h LEU 156 CO -0.01 0.93 0.43 -0.07 0.09 0.00 0.00 178.44 179.81 2qis h LEU 157 N 0.49 0.66 -0.19 1.67 3.38 -1.18 -1.10 115.31 119.04 2qis h LEU 157 Ca 0.08 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2qis h LEU 157 Cb 0.64 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2qis h LEU 157 CO 0.04 0.44 0.01 0.50 0.09 0.00 0.00 178.44 179.52 2qis h LYS 158 N 0.80 0.33 -0.60 1.13 3.64 -1.23 0.11 116.57 120.74 2qis h LYS 158 Ca 0.31 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 2qis h LYS 158 Cb 0.13 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 2qis h LYS 158 CO -0.16 0.51 0.32 -0.07 -2.27 0.00 0.00 179.45 177.78 2qis h LEU 159 N 0.10 0.74 0.00 5.20 3.38 -0.85 -3.12 115.31 120.76 2qis h LEU 159 Ca 0.06 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2qis h LEU 159 Cb 0.35 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2qis h LEU 159 CO 0.01 0.61 -1.68 -1.22 0.09 0.00 0.00 178.44 176.25 2qis n TYR 160 N -4.38 0.00 -0.09 1.13 4.02 -0.45 -4.77 117.16 112.62 2qis n TYR 160 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 2qis n TYR 160 Cb 0.11 -0.45 0.00 0.00 -0.02 0.00 0.00 39.34 38.98 2qis n TYR 160 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2qis h ARG 162 N 0.00 0.00 -0.17 0.00 2.43 -1.45 -1.17 114.38 114.02 2qis h ARG 162 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qis h ARG 162 Cb 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2qis h ARG 162 CO 0.00 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.85 2qis n GLU 163 N -4.28 2.13 -3.26 0.20 -0.58 -1.26 -4.90 120.64 108.69 2qis n GLU 163 Ca -0.01 -1.67 -0.33 0.00 -0.42 0.00 0.00 57.16 54.73 2qis n GLU 163 Cb 0.17 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 29.52 2qis n GLU 163 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2qis s GLN 164 N -1.80 3.95 0.57 3.49 -1.52 -0.44 -4.98 119.66 118.93 2qis s GLN 164 Ca 0.34 0.53 0.35 0.00 -1.95 0.00 0.00 55.36 54.63 2qis s GLN 164 Cb 0.20 -2.61 1.57 0.00 -0.22 0.00 0.00 33.01 31.95 2qis s GLN 164 CO 0.30 0.28 2.06 -1.00 -0.25 0.00 0.00 175.29 176.68 2qis h PRO 165 N 2.64 0.00 -0.14 2.91 0.13 -1.92 -2.32 132.00 133.30 2qis h PRO 165 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2qis h PRO 165 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2qis h PRO 165 CO 0.67 0.02 0.00 2.48 -0.23 0.00 0.00 178.00 180.93 2qis n TYR 166 N -3.13 0.17 0.01 1.56 0.18 -1.26 -4.58 117.16 110.11 2qis n TYR 166 Ca -0.00 -0.09 -0.11 0.00 1.88 0.00 0.00 57.90 59.58 2qis n TYR 166 Cb 0.26 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.18 2qis n TYR 166 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 2qis h TYR 167 N 2.20 -0.91 -0.54 -3.48 3.20 -1.62 -1.19 116.97 114.63 2qis h TYR 167 Ca 0.00 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 2qis h TYR 167 Cb 0.48 0.42 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 2qis h TYR 167 CO 0.09 -0.41 0.08 1.25 -1.64 0.00 0.00 178.16 177.52 2qis h LEU 168 N -0.42 0.82 -0.85 2.82 5.85 -1.84 -1.55 115.31 120.14 2qis h LEU 168 Ca 0.09 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.67 2qis h LEU 168 Cb 0.56 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 2qis h LEU 168 CO -0.34 0.84 0.54 0.78 -0.34 0.00 0.00 178.44 179.92 2qis h ASN 169 N 0.82 0.88 -0.17 1.25 2.35 -1.72 -0.44 115.58 118.54 2qis h ASN 169 Ca 0.17 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 2qis h ASN 169 Cb 0.38 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 2qis h ASN 169 CO 0.01 0.59 -0.10 -0.07 -1.65 0.00 0.00 177.43 176.21 2qis h LEU 170 N 1.02 0.37 -0.44 1.61 3.38 -0.90 0.03 115.31 120.39 2qis h LEU 170 Ca 0.35 -0.43 0.08 0.00 0.09 0.00 0.00 57.88 57.97 2qis h LEU 170 Cb 0.06 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 2qis h LEU 170 CO -0.14 0.72 0.05 0.40 0.09 0.00 0.00 178.44 179.56 2qis h ILE 171 N 0.03 0.71 -0.39 1.22 2.04 -1.05 -0.89 117.51 119.18 2qis h ILE 171 Ca 0.03 -0.06 -0.11 0.00 1.00 0.00 0.00 64.86 65.73 2qis h ILE 171 Cb 0.59 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2qis h ILE 171 CO 0.03 0.03 -0.21 -0.33 0.00 0.00 0.00 178.15 177.67 2qis h GLU 172 N 0.17 0.75 -0.20 2.37 5.08 -1.02 -1.65 114.58 120.08 2qis h GLU 172 Ca 0.22 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2qis h GLU 172 Cb 0.30 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2qis h GLU 172 CO -0.32 0.89 0.08 1.25 -1.00 0.00 0.00 179.01 179.91 2qis h LEU 173 N 0.66 0.28 -0.75 1.33 5.85 -0.47 0.37 115.31 122.58 2qis h LEU 173 Ca 0.10 -0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 2qis h LEU 173 Cb 0.70 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 2qis h LEU 173 CO 0.05 0.37 0.16 -0.26 -0.34 0.00 0.00 178.44 178.42 2qis h PHE 174 N 0.17 1.16 -0.34 1.25 -1.00 -1.02 -1.02 116.94 116.14 2qis h PHE 174 Ca 0.07 -0.14 -0.06 0.00 2.81 0.00 0.00 57.97 60.65 2qis h PHE 174 Cb 0.18 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 39.40 2qis h PHE 174 CO -0.01 0.95 -0.00 -0.07 -1.61 0.00 0.00 178.31 177.56 2qis h LEU 175 N 1.04 0.60 -0.70 1.54 3.38 -1.15 -1.06 115.31 118.96 2qis h LEU 175 Ca 0.22 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 2qis h LEU 175 Cb 0.38 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2qis h LEU 175 CO 0.00 0.76 -0.13 -0.61 0.09 0.00 0.00 178.44 178.56 2qis h GLN 176 N 0.42 0.87 -0.92 1.13 5.75 -0.87 -1.22 115.11 120.27 2qis h GLN 176 Ca 0.10 -0.31 0.01 0.00 -0.15 0.00 0.00 58.65 58.30 2qis h GLN 176 Cb 0.46 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.90 2qis h GLN 176 CO 0.02 0.95 0.61 0.77 -2.65 0.00 0.00 178.83 178.52 2qis h SER 177 N 0.77 1.04 -0.51 -0.69 0.02 -1.05 -0.14 113.55 112.99 2qis h SER 177 Ca 0.12 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 2qis h SER 177 Cb 0.65 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2qis h SER 177 CO 0.05 0.75 0.13 0.28 -1.14 0.00 0.00 176.83 176.89 2qis h SER 178 N 1.23 0.78 -0.30 3.07 0.02 -0.80 -1.84 113.55 115.70 2qis h SER 178 Ca 0.34 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 2qis h SER 178 Cb -0.12 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.20 2qis h SER 178 CO -0.08 0.81 0.02 0.22 -1.14 0.00 0.00 176.83 176.66 2qis h TYR 179 N 0.72 0.56 -0.26 3.45 3.20 -0.69 -0.37 116.97 123.57 2qis h TYR 179 Ca 0.16 -0.09 0.03 0.00 3.14 0.00 0.00 58.73 61.97 2qis h TYR 179 Cb 0.33 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 2qis h TYR 179 CO 0.02 0.63 0.09 1.96 -1.64 0.00 0.00 178.16 179.22 2qis h GLN 180 N 0.32 0.21 -0.64 1.82 4.20 -1.03 0.06 115.11 120.04 2qis h GLN 180 Ca 0.09 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2qis h GLN 180 Cb 0.39 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 2qis h GLN 180 CO 0.01 0.14 0.37 1.15 -0.67 0.00 0.00 178.83 179.82 2qis h THR 181 N 0.21 1.20 -0.68 -0.54 2.02 -1.07 -1.21 112.91 112.84 2qis h THR 181 Ca 0.12 -0.48 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 2qis h THR 181 Cb 0.08 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 2qis h THR 181 CO -0.12 0.21 0.20 -0.33 0.37 0.00 0.00 175.52 175.85 2qis h GLU 182 N 0.88 1.06 -0.40 6.66 5.08 -0.73 0.22 114.58 127.35 2qis h GLU 182 Ca 0.23 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qis h GLU 182 Cb 0.02 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2qis h GLU 182 CO -0.04 0.91 0.23 0.82 -1.00 0.00 0.00 179.01 179.94 2qis h ILE 183 N 1.02 1.13 -0.63 3.13 1.08 -0.65 -1.46 117.51 121.13 2qis h ILE 183 Ca 0.22 -0.32 -0.02 0.00 -0.39 0.00 0.00 64.86 64.35 2qis h ILE 183 Cb 0.31 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 34.66 2qis h ILE 183 CO -0.01 0.14 0.30 1.23 -0.69 0.00 0.00 178.15 179.12 2qis h GLY 184 N 0.52 0.97 1.29 5.37 0.00 -0.93 -1.69 103.07 108.60 2qis h GLY 184 Ca 0.14 -0.48 0.02 0.00 0.00 0.00 0.00 47.33 47.01 2qis h GLY 184 CO -0.03 0.46 0.44 1.46 0.00 0.00 0.00 176.54 178.87 2qis h GLN 185 N 0.86 0.82 -0.34 4.80 1.08 -0.44 0.42 115.11 122.31 2qis h GLN 185 Ca 0.22 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.34 2qis h GLN 185 Cb 0.12 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 2qis h GLN 185 CO -0.03 0.54 0.10 1.15 -0.95 0.00 0.00 178.83 179.64 2qis h THR 186 N 0.85 1.21 -0.56 -0.54 2.02 -0.67 -1.00 112.91 114.23 2qis h THR 186 Ca 0.25 -0.71 -0.03 0.00 0.77 0.00 0.00 66.41 66.69 2qis h THR 186 Cb -0.02 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 2qis h THR 186 CO -0.06 0.24 0.23 -0.07 0.37 0.00 0.00 175.52 176.23 2qis h LEU 187 N 0.40 0.77 -0.33 2.58 3.38 -0.81 0.50 115.31 121.81 2qis h LEU 187 Ca 0.11 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 57.98 2qis h LEU 187 Cb 0.27 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 2qis h LEU 187 CO -0.00 0.72 -0.09 -0.78 0.09 0.00 0.00 178.44 178.38 2qis h ASP 188 N 0.76 -0.34 0.21 -0.43 1.82 -0.64 -1.50 116.42 116.30 2qis h ASP 188 Ca 0.19 0.10 -0.22 0.00 -0.39 0.00 0.00 57.03 56.71 2qis h ASP 188 Cb 0.19 0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.43 2qis h ASP 188 CO -0.02 -0.12 -0.89 -0.07 -1.61 0.00 0.00 179.24 176.54 2qis h LEU 189 N -0.02 0.63 -1.58 2.28 3.38 -0.98 -2.87 115.31 116.15 2qis h LEU 189 Ca 0.16 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 2qis h LEU 189 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2qis h LEU 189 CO -0.35 1.26 -0.12 -0.07 0.09 0.00 0.00 178.44 179.24 2qis h LEU 190 N 0.31 0.11 -0.27 1.67 3.38 -0.75 -2.81 115.31 116.93 2qis h LEU 190 Ca -0.07 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2qis h LEU 190 Cb 1.51 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2qis h LEU 190 CO 0.16 0.25 -0.34 0.41 0.09 0.00 0.00 178.44 179.01 2qis n THR 191 N -4.33 0.00 -2.70 0.22 -1.04 -0.58 -4.22 114.28 101.62 2qis n THR 191 Ca -0.02 -0.07 -0.21 0.00 -2.04 0.00 0.00 64.05 61.72 2qis n THR 191 Cb 0.23 0.29 -0.00 0.00 -1.82 0.00 0.00 70.33 69.02 2qis n THR 191 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qis n ALA 192 N -1.02 4.14 -1.90 2.41 0.00 -1.06 -4.62 120.51 118.46 2qis n ALA 192 Ca 0.10 -3.93 -0.41 0.00 0.00 0.00 0.00 53.44 49.20 2qis n ALA 192 Cb 0.34 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 2qis n ALA 192 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qis s PRO 193 N -3.27 4.37 0.26 0.00 0.04 -1.24 -4.81 135.00 130.36 2qis s PRO 193 Ca 0.41 2.13 -0.30 0.00 0.04 0.00 0.00 61.00 63.29 2qis s PRO 193 Cb 0.39 -3.14 -0.10 0.00 0.04 0.00 0.00 34.50 31.69 2qis s PRO 193 CO -0.10 -0.23 1.36 1.14 0.04 0.00 0.00 177.00 179.21 2qis s GLN 194 N -0.73 4.33 -0.72 4.56 0.00 -1.26 -2.89 119.66 122.94 2qis s GLN 194 Ca 0.54 2.21 0.00 0.00 -0.00 0.00 0.00 55.36 58.11 2qis s GLN 194 Cb -0.38 -3.12 0.00 0.00 0.00 0.00 0.00 33.01 29.51 2qis s GLN 194 CO 0.44 -0.30 0.00 0.41 0.00 0.00 0.00 175.29 175.83 2qis n GLY 195 N 1.80 0.78 2.64 2.60 0.00 -1.26 -4.93 105.19 106.81 2qis n GLY 195 Ca 0.04 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 2qis n GLY 195 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qis s ASN 196 N -2.40 3.54 -0.37 1.61 3.84 -1.14 -5.09 114.94 114.92 2qis s ASN 196 Ca 0.00 -2.20 -0.16 0.00 0.21 0.00 0.00 52.86 50.71 2qis s ASN 196 Cb 0.00 -0.78 0.00 0.00 -0.55 0.00 0.00 41.25 39.92 2qis s ASN 196 CO 0.00 -0.32 0.41 0.54 -2.79 0.00 0.00 177.10 174.93 2qis s VAL 197 N 0.94 5.12 -0.28 -5.21 0.11 -1.26 -4.58 120.40 115.24 2qis s VAL 197 Ca 0.15 -0.08 -0.01 0.00 -2.93 0.00 0.00 61.98 59.11 2qis s VAL 197 Cb -0.22 -3.92 0.09 0.00 -1.53 0.00 0.00 36.38 30.80 2qis s VAL 197 CO -0.07 -0.24 0.08 -0.62 -3.33 0.00 0.00 175.10 170.92 2qis s ASP 198 N 1.77 3.76 0.30 3.54 -1.08 -1.26 -5.00 116.67 118.70 2qis s ASP 198 Ca 0.13 -1.43 0.25 0.00 -0.52 0.00 0.00 52.55 50.98 2qis s ASP 198 Cb -0.17 -0.78 1.02 0.00 -1.46 0.00 0.00 42.92 41.53 2qis s ASP 198 CO 0.13 -0.39 1.76 -0.07 0.52 0.00 0.00 175.17 177.11 2qis h LEU 199 N 8.14 0.00 -2.17 -1.34 3.38 -1.98 -2.60 115.31 118.74 2qis h LEU 199 Ca -0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2qis h LEU 199 Cb 1.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 2qis h LEU 199 CO 0.44 0.00 -0.06 1.62 0.09 0.00 0.00 178.44 180.53 2qis h VAL 200 N 0.00 0.64 0.00 1.22 3.04 -2.02 -1.39 116.25 117.74 2qis h VAL 200 Ca 0.00 -0.24 -0.05 0.00 -1.01 0.00 0.00 66.70 65.40 2qis h VAL 200 Cb 0.41 1.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.83 2qis h VAL 200 CO 0.00 0.06 -0.22 0.03 -1.01 0.00 0.00 177.57 176.42 2qis h ARG 201 N 0.00 0.00 -4.98 4.17 3.08 -1.86 -3.40 114.38 111.39 2qis h ARG 201 Ca -0.00 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 59.33 2qis h ARG 201 Cb 0.14 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.03 2qis h ARG 201 CO 0.01 0.22 1.36 -0.06 -1.07 0.00 0.00 179.97 180.43 2qis s PHE 202 N -3.99 3.31 0.31 3.04 0.08 -0.53 -4.86 117.98 115.35 2qis s PHE 202 Ca -0.02 -1.89 0.08 0.00 0.12 0.00 0.00 56.93 55.23 2qis s PHE 202 Cb 0.12 -4.37 -0.04 0.00 -0.57 0.00 0.00 43.02 38.16 2qis s PHE 202 CO 0.64 -1.48 0.13 0.95 -0.10 0.00 0.00 175.22 175.36 2qis s THR 203 N 2.21 3.31 0.28 0.64 -4.23 -1.26 -4.73 115.64 111.86 2qis s THR 203 Ca 0.42 -1.68 -0.02 0.00 -1.18 0.00 0.00 61.69 59.23 2qis s THR 203 Cb -0.02 -3.01 0.18 0.00 1.34 0.00 0.00 72.50 70.99 2qis s THR 203 CO -0.01 -0.24 1.86 1.05 -0.54 0.00 0.00 174.62 176.74 2qis h GLU 204 N 1.59 0.93 -0.31 3.99 9.09 -1.93 -1.42 114.58 126.52 2qis h GLU 204 Ca -0.44 -0.15 -0.09 0.00 0.05 0.00 0.00 59.36 58.72 2qis h GLU 204 Cb 1.25 -0.16 -0.01 0.00 -1.65 0.00 0.00 28.75 28.18 2qis h GLU 204 CO 0.62 0.76 -0.18 -0.22 0.05 0.00 0.00 179.01 180.04 2qis h LYS 205 N 0.91 0.66 -0.58 1.06 3.64 -1.97 -1.84 116.57 118.45 2qis h LYS 205 Ca 0.22 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2qis h LYS 205 Cb 0.17 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 2qis h LYS 205 CO -0.02 0.90 0.30 -0.09 -2.27 0.00 0.00 179.45 178.27 2qis h ARG 206 N 0.42 0.82 0.07 1.90 9.65 -1.86 -2.79 114.38 122.60 2qis h ARG 206 Ca 0.06 -0.10 0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2qis h ARG 206 Cb 0.72 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 29.11 2qis h ARG 206 CO 0.05 0.64 -0.24 -0.92 2.80 0.00 0.00 179.97 182.30 2qis h TYR 207 N 0.78 -0.64 -0.81 2.20 3.20 -1.09 -1.15 116.97 119.47 2qis h TYR 207 Ca 0.20 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.14 2qis h TYR 207 Cb 0.07 0.27 -0.06 0.00 1.54 0.00 0.00 36.73 38.56 2qis h TYR 207 CO -0.01 -0.34 0.50 0.87 -1.64 0.00 0.00 178.16 177.55 2qis h LYS 208 N -0.42 0.91 -0.10 1.82 1.57 -1.27 -1.45 116.57 117.63 2qis h LYS 208 Ca 0.04 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2qis h LYS 208 Cb 0.46 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 2qis h LYS 208 CO -0.16 0.60 0.03 0.77 -0.57 0.00 0.00 179.45 180.12 2qis h SER 209 N 0.94 0.15 -0.10 0.86 0.02 -1.32 -1.31 113.55 112.79 2qis h SER 209 Ca 0.35 -0.20 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 2qis h SER 209 Cb 0.12 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.57 2qis h SER 209 CO -0.15 0.31 -0.21 0.40 -1.14 0.00 0.00 176.83 176.03 2qis h ILE 210 N -0.02 0.48 -0.06 3.27 2.04 -0.79 -2.94 117.51 119.49 2qis h ILE 210 Ca 0.03 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.75 2qis h ILE 210 Cb 0.21 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2qis h ILE 210 CO -0.00 0.00 -0.62 -0.37 0.00 0.00 0.00 178.15 177.16 2qis h VAL 211 N -0.29 1.39 -0.10 1.67 -1.51 -1.17 -0.54 116.25 115.70 2qis h VAL 211 Ca 0.09 -2.02 0.04 0.00 -1.23 0.00 0.00 66.70 63.58 2qis h VAL 211 Cb 0.42 2.03 -0.05 0.00 -2.13 0.00 0.00 31.29 31.56 2qis h VAL 211 CO -0.26 0.59 -0.21 0.50 -1.23 0.00 0.00 177.57 176.96 2qis h LYS 212 N 0.17 -0.27 -0.05 5.19 3.64 -1.15 -1.78 116.57 122.32 2qis h LYS 212 Ca -0.01 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 2qis h LYS 212 Cb 1.13 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2qis h LYS 212 CO 0.09 -0.18 -0.23 1.88 -2.27 0.00 0.00 179.45 178.75 2qis h TYR 213 N -0.28 0.32 0.00 1.91 -1.99 -1.34 -2.98 116.97 112.61 2qis h TYR 213 Ca 0.09 -0.14 -0.10 0.00 2.00 0.00 0.00 58.73 60.58 2qis h TYR 213 Cb 0.41 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 39.08 2qis h TYR 213 CO -0.30 0.86 -0.49 1.57 -0.00 0.00 0.00 178.16 179.80 2qis h LYS 214 N -0.31 0.00 0.00 4.88 2.10 -1.11 -3.15 116.57 118.97 2qis h LYS 214 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2qis h LYS 214 Cb 0.88 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.21 2qis h LYS 214 CO 0.05 0.49 -0.49 0.43 -2.00 0.00 0.00 179.45 177.93 2qis n SER 215 N -3.54 1.61 -0.09 7.07 7.64 -0.72 -4.79 113.62 120.80 2qis n SER 215 Ca -0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 2qis n SER 215 Cb 0.59 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.77 2qis n SER 215 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qis h ALA 216 N 0.00 0.37 0.61 -0.43 0.00 -1.26 -1.96 119.26 116.59 2qis h ALA 216 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2qis h ALA 216 Cb 0.49 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2qis h ALA 216 CO 0.00 -0.08 -0.29 0.74 0.00 0.00 0.00 179.25 179.61 2qis h PHE 217 N 0.34 -0.76 0.00 0.00 -1.00 -1.79 -2.91 116.94 110.82 2qis h PHE 217 Ca 0.10 -0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.81 2qis h PHE 217 Cb 0.09 0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 2qis h PHE 217 CO -0.03 -0.47 -0.27 0.10 -1.61 0.00 0.00 178.31 176.04 2qis h TYR 218 N -0.84 0.00 0.19 -0.55 -0.00 -1.84 0.11 116.97 114.04 2qis h TYR 218 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 58.73 58.37 2qis h TYR 218 Cb 0.64 0.00 0.03 0.00 0.00 0.00 0.00 36.73 37.39 2qis h TYR 218 CO -0.03 0.27 -1.24 0.77 -0.00 0.00 0.00 178.16 177.93 2qis h SER 219 N 0.00 0.64 0.00 0.10 0.02 -1.34 -3.39 113.55 109.58 2qis h SER 219 Ca -0.00 -0.93 -0.03 0.00 -0.84 0.00 0.00 61.79 59.99 2qis h SER 219 Cb 1.02 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 2qis h SER 219 CO 0.03 1.59 -1.11 0.49 -1.14 0.00 0.00 176.83 176.69 2qis n PHE 220 N -3.89 0.00 -0.03 3.45 3.01 -1.10 -4.70 117.46 114.20 2qis n PHE 220 Ca -0.17 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.16 2qis n PHE 220 Cb 0.97 -0.07 -0.08 0.00 -0.01 0.00 0.00 39.48 40.29 2qis n PHE 220 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 2qis h TYR 221 N -0.03 0.17 -0.22 1.38 3.20 -1.54 -3.20 116.97 116.74 2qis h TYR 221 Ca -0.04 -0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.83 2qis h TYR 221 Cb 1.06 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 39.21 2qis h TYR 221 CO -0.00 0.52 -0.42 1.25 -1.64 0.00 0.00 178.16 177.86 2qis h LEU 222 N -0.22 -1.35 -0.80 2.82 5.85 -1.16 0.11 115.31 120.56 2qis h LEU 222 Ca 0.02 0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 2qis h LEU 222 Cb 0.47 0.56 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 2qis h LEU 222 CO 0.01 -0.41 0.00 1.55 -0.34 0.00 0.00 178.44 179.25 2qis h PRO 223 N -0.44 0.91 -0.22 5.25 0.13 -1.78 -0.88 132.00 134.97 2qis h PRO 223 Ca 0.09 -0.26 -0.07 0.00 -0.87 0.00 0.00 66.00 64.89 2qis h PRO 223 Cb 0.61 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 2qis h PRO 223 CO -0.45 0.90 -0.13 0.82 -0.23 0.00 0.00 178.00 178.91 2qis h ILE 224 N 0.84 1.31 -0.91 -3.56 1.08 -1.50 -2.34 117.51 112.43 2qis h ILE 224 Ca 0.16 -1.22 0.09 0.00 -0.39 0.00 0.00 64.86 63.50 2qis h ILE 224 Cb 0.50 1.64 -0.07 0.00 -3.07 0.00 0.00 36.82 35.82 2qis h ILE 224 CO 0.02 0.37 0.56 0.00 -0.69 0.00 0.00 178.15 178.42 2qis h ALA 225 N 0.69 1.32 0.04 1.87 0.00 -0.68 0.34 119.26 122.84 2qis h ALA 225 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2qis h ALA 225 Cb 0.63 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2qis h ALA 225 CO 0.04 0.23 -0.06 0.00 0.00 0.00 0.00 179.25 179.46 2qis h ALA 226 N 1.47 -0.09 -0.86 0.00 0.00 -1.02 -0.67 119.26 118.09 2qis h ALA 226 Ca 0.43 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.37 2qis h ALA 226 Cb 0.33 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2qis h ALA 226 CO -0.23 -0.56 0.56 0.00 0.00 0.00 0.00 179.25 179.02 2qis h ALA 227 N 0.84 1.14 0.11 0.00 0.00 -0.98 -1.41 119.26 118.97 2qis h ALA 227 Ca 0.01 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2qis h ALA 227 Cb 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2qis h ALA 227 CO -0.03 0.39 -0.16 0.52 0.00 0.00 0.00 179.25 179.98 2qis h MET 228 N 1.08 -0.31 -0.98 0.00 2.86 -0.58 -0.70 114.93 116.30 2qis h MET 228 Ca 0.34 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 58.08 2qis h MET 228 Cb 0.01 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 31.67 2qis h MET 228 CO -0.12 -0.21 0.63 1.88 1.06 0.00 0.00 176.91 180.15 2qis h TYR 229 N -0.32 1.16 0.00 -0.22 0.99 -0.86 0.11 116.97 117.83 2qis h TYR 229 Ca 0.02 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.72 2qis h TYR 229 Cb 0.33 -0.38 -0.01 0.00 1.00 0.00 0.00 36.73 37.67 2qis h TYR 229 CO -0.16 0.58 -0.28 0.52 -0.00 0.00 0.00 178.16 178.82 2qis h MET 230 N 1.12 0.00 -0.10 4.88 2.86 -0.91 -1.08 114.93 121.70 2qis h MET 230 Ca 0.43 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.07 2qis h MET 230 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2qis h MET 230 CO -0.19 0.28 0.00 0.00 1.06 0.00 0.00 176.91 178.06 2qis n ALA 231 N -2.42 2.56 -1.00 6.32 0.00 -0.30 -4.91 120.51 120.75 2qis n ALA 231 Ca -0.02 -0.38 -0.00 0.00 0.00 0.00 0.00 53.44 53.04 2qis n ALA 231 Cb 0.34 -1.17 -0.00 0.00 0.00 0.00 0.00 19.45 18.62 2qis n ALA 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qis n GLY 232 N 1.02 0.47 3.42 0.00 0.00 -0.41 -4.95 105.19 104.74 2qis n GLY 232 Ca 0.16 -0.18 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 2qis n GLY 232 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qis s ILE 233 N -1.97 4.88 -0.58 -0.61 1.01 0.28 -4.79 121.20 119.42 2qis s ILE 233 Ca 0.00 -1.60 0.05 0.00 0.00 0.00 0.00 60.65 59.10 2qis s ILE 233 Cb 0.00 -4.68 0.09 0.00 0.01 0.00 0.00 42.46 37.88 2qis s ILE 233 CO 0.00 -1.37 0.88 -0.90 0.00 0.00 0.00 174.94 173.55 2qis n ASP 234 N 6.11 1.91 -4.76 3.58 5.75 -1.26 -3.49 116.55 124.39 2qis n ASP 234 Ca 0.16 -1.58 -0.41 0.00 -0.01 0.00 0.00 54.79 52.95 2qis n ASP 234 Cb 0.48 -0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.49 2qis n ASP 234 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2qis s GLY 235 N -0.71 2.75 0.23 6.12 0.00 -1.26 -4.93 107.32 109.53 2qis s GLY 235 Ca 0.09 1.25 -0.08 0.00 0.00 0.00 0.00 44.72 45.98 2qis s GLY 235 CO 0.07 2.02 1.87 0.83 0.00 0.00 0.00 173.10 177.89 2qis h GLU 236 N 4.08 0.97 -0.52 2.90 3.07 -1.99 -1.65 114.58 121.45 2qis h GLU 236 Ca -0.48 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.32 2qis h GLU 236 Cb 1.22 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.89 2qis h GLU 236 CO 0.70 0.64 0.28 1.57 -1.40 0.00 0.00 179.01 180.81 2qis h LYS 237 N 1.00 0.73 -0.54 2.33 2.10 -1.99 -0.36 116.57 119.84 2qis h LYS 237 Ca 0.33 -0.09 -0.09 0.00 -2.00 0.00 0.00 60.65 58.81 2qis h LYS 237 Cb 0.04 -0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 31.21 2qis h LYS 237 CO -0.12 0.57 -0.01 0.93 -2.00 0.00 0.00 179.45 178.82 2qis h GLU 238 N 0.70 0.95 -0.49 0.07 3.07 -1.87 -1.48 114.58 115.53 2qis h GLU 238 Ca 0.18 -0.31 -0.09 0.00 -0.50 0.00 0.00 59.36 58.64 2qis h GLU 238 Cb 0.06 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 2qis h GLU 238 CO -0.03 0.97 -0.07 0.45 -1.40 0.00 0.00 179.01 178.93 2qis h HIS 239 N 0.83 0.94 -0.60 4.33 3.86 -1.11 -2.01 115.15 121.39 2qis h HIS 239 Ca 0.15 -0.16 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 2qis h HIS 239 Cb 0.54 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 2qis h HIS 239 CO 0.04 0.89 0.22 0.00 0.86 0.00 0.00 177.93 179.94 2qis h ALA 240 N 1.14 0.79 -0.43 2.45 0.00 -0.75 -1.17 119.26 121.28 2qis h ALA 240 Ca 0.14 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2qis h ALA 240 Cb 0.56 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2qis h ALA 240 CO 0.03 0.42 0.03 -0.91 0.00 0.00 0.00 179.25 178.82 2qis h ASN 241 N 0.84 0.71 -0.66 0.00 2.35 -1.22 -2.08 115.58 115.53 2qis h ASN 241 Ca 0.20 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 2qis h ASN 241 Cb 0.23 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 2qis h ASN 241 CO -0.01 0.82 0.36 0.00 -1.65 0.00 0.00 177.43 176.95 2qis h ALA 242 N 0.92 0.84 -0.81 -0.83 0.00 -1.24 -2.55 119.26 115.59 2qis h ALA 242 Ca 0.13 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.04 2qis h ALA 242 Cb 0.44 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 2qis h ALA 242 CO 0.02 0.36 0.44 0.87 0.00 0.00 0.00 179.25 180.93 2qis h LYS 243 N 0.90 0.69 -0.83 0.00 1.57 -1.00 -0.78 116.57 117.12 2qis h LYS 243 Ca 0.23 -0.04 0.11 0.00 -1.87 0.00 0.00 60.65 59.08 2qis h LYS 243 Cb 0.04 -0.16 -0.08 0.00 0.08 0.00 0.00 32.23 32.11 2qis h LYS 243 CO -0.04 0.46 0.46 0.87 -0.57 0.00 0.00 179.45 180.63 2qis h LYS 244 N 0.71 0.71 0.06 3.15 1.79 -0.94 0.10 116.57 122.16 2qis h LYS 244 Ca 0.41 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.83 2qis h LYS 244 Cb 0.44 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2qis h LYS 244 CO -0.28 0.47 -0.03 0.82 -1.08 0.00 0.00 179.45 179.35 2qis h ILE 245 N 0.74 1.25 -0.03 1.86 2.04 -1.44 -3.33 117.51 118.59 2qis h ILE 245 Ca 0.42 -1.37 -0.15 0.00 1.00 0.00 0.00 64.86 64.75 2qis h ILE 245 Cb 0.45 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 2qis h ILE 245 CO -0.28 0.33 -0.67 -0.07 0.00 0.00 0.00 178.15 177.45 2qis h LEU 246 N -0.73 0.19 -0.71 1.44 3.38 -0.76 -1.62 115.31 116.49 2qis h LEU 246 Ca -0.01 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 2qis h LEU 246 Cb 0.60 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2qis h LEU 246 CO 0.01 0.80 -0.62 -0.07 0.09 0.00 0.00 178.44 178.66 2qis h LEU 247 N 0.11 0.12 -0.27 1.67 3.38 -0.99 -0.79 115.31 118.54 2qis h LEU 247 Ca -0.01 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 2qis h LEU 247 Cb 1.20 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2qis h LEU 247 CO 0.10 0.71 -0.36 -0.33 0.09 0.00 0.00 178.44 178.65 2qis h GLU 248 N 0.08 0.72 -0.57 1.13 4.39 -1.58 -1.09 114.58 117.65 2qis h GLU 248 Ca -0.01 -0.41 0.09 0.00 0.34 0.00 0.00 59.36 59.37 2qis h GLU 248 Cb 1.11 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.72 2qis h GLU 248 CO 0.09 1.03 0.19 0.52 -1.16 0.00 0.00 179.01 179.68 2qis h MET 249 N 0.45 0.35 -0.87 2.33 2.86 -1.12 -2.08 114.93 116.85 2qis h MET 249 Ca 0.03 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 2qis h MET 249 Cb 0.94 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.48 2qis h MET 249 CO 0.08 0.23 0.50 0.78 1.06 0.00 0.00 176.91 179.57 2qis h GLY 250 N 0.37 1.29 0.93 8.32 0.00 -0.93 -0.94 103.07 112.10 2qis h GLY 250 Ca 0.28 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 2qis h GLY 250 CO -0.30 0.54 -0.04 -2.09 0.00 0.00 0.00 176.54 174.65 2qis h GLU 251 N 1.21 -0.10 -0.62 4.80 4.81 -0.96 -2.06 114.58 121.66 2qis h GLU 251 Ca 0.31 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.62 2qis h GLU 251 Cb -0.01 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 2qis h GLU 251 CO -0.05 -0.00 0.30 0.35 -0.73 0.00 0.00 179.01 178.87 2qis h PHE 252 N -0.18 0.53 -0.67 0.92 3.57 -1.07 -1.54 116.94 118.51 2qis h PHE 252 Ca -0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2qis h PHE 252 Cb 0.15 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2qis h PHE 252 CO -0.05 0.21 0.38 0.35 -2.23 0.00 0.00 178.31 176.97 2qis h PHE 253 N 0.54 0.88 -0.25 0.41 3.57 -1.02 -0.09 116.94 120.98 2qis h PHE 253 Ca 0.30 -0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.62 2qis h PHE 253 Cb 0.28 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 2qis h PHE 253 CO -0.12 0.60 -0.52 0.37 -2.23 0.00 0.00 178.31 176.41 2qis h GLN 254 N 0.92 0.73 -0.49 1.11 5.75 -0.83 -0.48 115.11 121.82 2qis h GLN 254 Ca 0.24 -0.45 0.00 0.00 -0.15 0.00 0.00 58.65 58.29 2qis h GLN 254 Cb -0.01 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 2qis h GLN 254 CO -0.04 1.07 0.31 0.82 -2.65 0.00 0.00 178.83 178.34 2qis h ILE 255 N 0.57 1.14 -0.77 2.39 2.04 -0.74 0.08 117.51 122.22 2qis h ILE 255 Ca 0.02 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.60 2qis h ILE 255 Cb 1.10 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 2qis h ILE 255 CO 0.11 0.14 0.50 -0.61 0.00 0.00 0.00 178.15 178.29 2qis h GLN 256 N 0.66 0.98 -0.60 2.37 4.15 -0.93 -0.58 115.11 121.16 2qis h GLN 256 Ca 0.18 -0.06 0.04 0.00 0.77 0.00 0.00 58.65 59.58 2qis h GLN 256 Cb -0.04 -0.22 -0.04 0.00 0.21 0.00 0.00 27.48 27.39 2qis h GLN 256 CO -0.04 0.65 0.35 0.22 -1.93 0.00 0.00 178.83 178.08 2qis h ASP 257 N 1.01 0.54 -0.37 -0.69 3.58 -0.50 0.04 116.42 120.04 2qis h ASP 257 Ca 0.29 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.74 2qis h ASP 257 Cb -0.06 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 2qis h ASP 257 CO -0.08 0.37 0.14 0.44 -2.88 0.00 0.00 179.24 177.23 2qis h ASP 258 N 0.67 0.51 -0.11 2.28 3.32 -0.61 -0.68 116.42 121.81 2qis h ASP 258 Ca 0.25 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 57.15 2qis h ASP 258 Cb 0.09 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2qis h ASP 258 CO -0.13 0.55 -0.01 0.22 -1.72 0.00 0.00 179.24 178.15 2qis h TYR 259 N 0.45 -0.02 0.00 4.55 3.20 -0.67 -2.79 116.97 121.68 2qis h TYR 259 Ca 0.12 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 2qis h TYR 259 Cb 0.20 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 2qis h TYR 259 CO 0.00 -0.03 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.26 2qis h LEU 260 N 0.02 0.00 -1.09 2.82 3.38 -0.87 -0.71 115.31 118.87 2qis h LEU 260 Ca 0.05 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.20 2qis h LEU 260 Cb 0.07 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.72 2qis h LEU 260 CO -0.09 0.16 0.61 -0.78 0.09 0.00 0.00 178.44 178.43 2qis h ASP 261 N 0.00 0.76 0.00 -0.43 3.58 -0.83 -0.07 116.42 119.43 2qis h ASP 261 Ca -0.00 0.08 -0.34 0.00 0.42 0.00 0.00 57.03 57.19 2qis h ASP 261 Cb 0.43 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 41.36 2qis h ASP 261 CO 0.02 0.30 -2.28 -0.11 -2.88 0.00 0.00 179.24 174.30 2qis n LEU 262 N -4.69 2.87 -0.46 2.28 7.94 -1.03 -3.71 117.00 120.20 2qis n LEU 262 Ca 0.22 -0.12 0.07 0.00 -1.11 0.00 0.00 56.01 55.07 2qis n LEU 262 Cb 0.55 -0.74 0.03 0.00 0.53 0.00 0.00 43.42 43.79 2qis n LEU 262 CO 0.24 0.86 0.37 0.49 -1.11 0.00 0.00 177.39 178.24 2qis n PHE 263 N -3.14 0.00 -2.13 1.96 3.01 -0.30 -4.98 117.46 111.88 2qis n PHE 263 Ca -0.39 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 57.76 2qis n PHE 263 Cb 0.93 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.39 2qis n PHE 263 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2qis s GLY 264 N -1.49 1.77 -0.42 1.37 0.00 -0.04 -4.93 107.32 103.59 2qis s GLY 264 Ca 0.15 -0.06 -0.25 0.00 0.00 0.00 0.00 44.72 44.56 2qis s GLY 264 CO 0.27 0.20 0.88 -0.35 0.00 0.00 0.00 173.10 174.10 2qis s ASP 265 N -3.82 6.54 0.64 1.64 -1.08 -1.26 -4.94 116.67 114.38 2qis s ASP 265 Ca 0.55 0.25 0.39 0.00 -0.52 0.00 0.00 52.55 53.22 2qis s ASP 265 Cb -0.11 -2.43 2.19 0.00 -1.46 0.00 0.00 42.92 41.11 2qis s ASP 265 CO 0.46 -0.92 2.33 1.55 0.52 0.00 0.00 175.17 179.11 2qis h PRO 266 N 8.79 0.00 -0.12 4.34 0.13 -1.93 0.50 132.00 143.71 2qis h PRO 266 Ca -0.24 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.85 2qis h PRO 266 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2qis h PRO 266 CO 0.98 0.00 -0.09 0.66 -0.23 0.00 0.00 178.00 179.33 2qis h SER 267 N 0.00 0.16 0.07 1.44 4.64 -1.92 0.23 113.55 118.17 2qis h SER 267 Ca 0.00 -0.03 -0.25 0.00 -0.47 0.00 0.00 61.79 61.04 2qis h SER 267 Cb 0.01 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 2qis h SER 267 CO -0.00 0.28 -1.33 0.58 -0.87 0.00 0.00 176.83 175.49 2qis h VAL 268 N 0.17 0.99 0.00 0.95 2.07 -0.54 -3.39 116.25 116.51 2qis h VAL 268 Ca 0.04 -2.31 -0.09 0.00 0.82 0.00 0.00 66.70 65.16 2qis h VAL 268 Cb 0.27 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 2qis h VAL 268 CO 0.01 0.59 -0.44 0.71 0.02 0.00 0.00 177.57 178.46 2qis h THR 269 N -0.55 0.94 0.00 2.57 1.35 -0.87 -3.47 112.91 112.88 2qis h THR 269 Ca -0.31 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 63.76 2qis h THR 269 Cb 1.58 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 70.09 2qis h THR 269 CO -0.04 0.43 0.00 0.61 -0.25 0.00 0.00 175.52 176.28 2qis n GLY 270 N 0.51 0.74 3.14 5.82 0.00 0.79 -4.63 105.19 111.56 2qis n GLY 270 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2qis n GLY 270 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qis s LYS 271 N -0.04 0.39 -0.01 1.61 -2.85 -1.25 -0.21 119.74 117.39 2qis s LYS 271 Ca 0.00 0.09 -0.21 0.00 -1.00 0.00 0.00 55.97 54.85 2qis s LYS 271 Cb 0.00 0.18 -0.05 0.00 -2.06 0.00 0.00 37.83 35.90 2qis s LYS 271 CO 0.00 -0.08 0.62 0.42 0.10 0.00 0.00 175.35 176.41 2qis s ILE 272 N -0.43 4.90 0.42 3.79 -1.09 -1.26 -4.66 121.20 122.88 2qis s ILE 272 Ca -0.05 1.30 -0.24 0.00 -2.23 0.00 0.00 60.65 59.43 2qis s ILE 272 Cb -0.04 -3.96 -0.08 0.00 -1.58 0.00 0.00 42.46 36.80 2qis s ILE 272 CO 0.01 0.40 1.11 -0.83 -1.23 0.00 0.00 174.94 174.40 2qis s GLY 273 N -0.08 2.77 0.00 6.18 0.00 -1.24 -4.70 107.32 110.25 2qis s GLY 273 Ca 0.32 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.87 2qis s GLY 273 CO 0.18 1.28 0.47 -1.30 0.00 0.00 0.00 173.10 173.73 2qis n THR 274 N -0.20 0.19 -0.12 0.90 -2.24 -1.26 -4.94 114.28 106.61 2qis n THR 274 Ca 0.06 -0.24 -0.09 0.00 -2.27 0.00 0.00 64.05 61.50 2qis n THR 274 Cb 0.49 1.16 -0.01 0.00 -2.10 0.00 0.00 70.33 69.86 2qis n THR 274 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2qis h ASP 275 N 0.00 0.49 0.01 3.42 3.45 -1.93 0.51 116.42 122.37 2qis h ASP 275 Ca 0.00 -0.16 -0.00 0.00 0.43 0.00 0.00 57.03 57.30 2qis h ASP 275 Cb 0.68 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.32 2qis h ASP 275 CO 0.00 0.52 -0.01 0.40 -1.57 0.00 0.00 179.24 178.58 2qis h ILE 276 N 0.43 1.07 -0.70 0.35 2.04 -1.92 -1.74 117.51 117.04 2qis h ILE 276 Ca 0.12 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.78 2qis h ILE 276 Cb 0.18 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 2qis h ILE 276 CO -0.01 0.06 0.46 1.56 0.00 0.00 0.00 178.15 180.23 2qis h GLN 277 N -0.12 0.74 -0.14 2.37 7.50 -1.71 -0.35 115.11 123.40 2qis h GLN 277 Ca -0.00 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.10 2qis h GLN 277 Cb 0.12 -0.17 0.00 0.00 0.05 0.00 0.00 27.48 27.48 2qis h GLN 277 CO 0.00 0.49 0.00 -0.25 -1.50 0.00 0.00 178.83 177.57 2qis n ASP 278 N -4.47 1.47 -3.01 1.46 8.00 0.15 -3.43 116.55 116.71 2qis n ASP 278 Ca 0.10 -1.66 -0.21 0.00 0.71 0.00 0.00 54.79 53.73 2qis n ASP 278 Cb 0.20 -0.09 0.06 0.00 -0.02 0.00 0.00 41.12 41.27 2qis n ASP 278 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2qis n ASN 279 N 0.19 -5.76 -4.80 -2.24 5.15 -0.78 -4.77 115.26 102.24 2qis n ASN 279 Ca 0.16 -0.39 -0.35 0.00 -0.60 0.00 0.00 54.58 53.40 2qis n ASN 279 Cb 0.30 -4.46 -0.07 0.00 -0.53 0.00 0.00 39.78 35.03 2qis n ASN 279 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2qis s LYS 280 N -5.93 4.39 -1.18 1.20 -0.14 -0.72 -4.20 119.74 113.15 2qis s LYS 280 Ca 0.42 1.14 -0.16 0.00 -1.36 0.00 0.00 55.97 56.02 2qis s LYS 280 Cb -0.19 -2.61 -0.05 0.00 -1.68 0.00 0.00 37.83 33.30 2qis s LYS 280 CO 0.52 0.20 2.17 0.00 -0.76 0.00 0.00 175.35 177.49 2qis s SER 282 N 3.79 6.73 0.35 0.00 0.15 -1.26 -4.90 113.70 118.56 2qis s SER 282 Ca 0.52 1.69 0.10 0.00 0.70 0.00 0.00 55.95 58.96 2qis s SER 282 Cb 0.14 -2.53 0.87 0.00 -1.71 0.00 0.00 66.02 62.79 2qis s SER 282 CO -0.01 -0.51 1.82 -0.25 1.20 0.00 0.00 173.24 175.50 2qis h TRP 283 N 1.52 0.84 -0.36 3.44 7.01 -1.91 -2.26 115.95 124.23 2qis h TRP 283 Ca -0.48 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.53 2qis h TRP 283 Cb 1.19 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.97 2qis h TRP 283 CO 0.62 0.23 0.18 -0.07 -2.79 0.00 0.00 178.44 176.60 2qis h LEU 284 N 0.64 0.47 -0.98 0.65 3.38 -1.93 -1.62 115.31 115.94 2qis h LEU 284 Ca 0.52 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 58.29 2qis h LEU 284 Cb 0.95 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 2qis h LEU 284 CO -0.27 0.46 -0.08 1.62 0.09 0.00 0.00 178.44 180.26 2qis h VAL 285 N 0.45 1.24 -0.37 1.22 3.04 -1.76 0.52 116.25 120.58 2qis h VAL 285 Ca 0.13 -1.04 -0.02 0.00 -1.01 0.00 0.00 66.70 64.76 2qis h VAL 285 Cb 0.11 1.03 -0.02 0.00 -2.01 0.00 0.00 31.29 30.40 2qis h VAL 285 CO -0.02 0.35 0.17 0.58 -1.01 0.00 0.00 177.57 177.65 2qis h VAL 286 N 0.61 1.17 -0.31 1.51 2.07 -1.24 -0.56 116.25 119.51 2qis h VAL 286 Ca 0.11 -0.51 -0.13 0.00 0.82 0.00 0.00 66.70 66.99 2qis h VAL 286 Cb 0.49 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2qis h VAL 286 CO 0.03 0.19 -0.35 1.56 0.02 0.00 0.00 177.57 179.01 2qis h GLN 287 N 0.46 0.69 -0.03 1.57 1.08 -1.04 -1.92 115.11 115.92 2qis h GLN 287 Ca 0.13 -0.33 0.03 0.00 -1.45 0.00 0.00 58.65 57.03 2qis h GLN 287 Cb 0.14 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.52 2qis h GLN 287 CO -0.01 0.94 -0.21 0.00 -0.95 0.00 0.00 178.83 178.59 2qis h LEU 289 N -0.33 0.31 -1.46 0.00 3.38 -0.98 0.81 115.31 117.05 2qis h LEU 289 Ca 0.07 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2qis h LEU 289 Cb 0.42 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2qis h LEU 289 CO -0.21 0.25 -0.26 1.56 0.09 0.00 0.00 178.44 179.87 2qis h GLN 290 N 0.36 0.00 0.00 1.13 4.20 -0.98 -3.31 115.11 116.52 2qis h GLN 290 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2qis h GLN 290 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2qis h GLN 290 CO -0.02 0.26 -0.84 0.54 -0.67 0.00 0.00 178.83 178.10 2qis n ARG 291 N -3.85 2.45 -2.37 1.46 1.74 -0.36 -5.05 116.66 110.68 2qis n ARG 291 Ca -0.02 -0.04 -0.40 0.00 -0.77 0.00 0.00 57.85 56.63 2qis n ARG 291 Cb 0.35 -1.06 -0.04 0.00 -1.02 0.00 0.00 32.46 30.70 2qis n ARG 291 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qis s ALA 292 N -2.20 3.41 0.89 7.54 0.00 0.14 -5.04 121.76 126.51 2qis s ALA 292 Ca 0.01 0.99 -0.12 0.00 0.00 0.00 0.00 51.96 52.84 2qis s ALA 292 Cb 0.07 -3.37 0.13 0.00 0.00 0.00 0.00 23.12 19.95 2qis s ALA 292 CO 0.39 -0.30 1.14 0.95 0.00 0.00 0.00 175.76 177.93 2qis s THR 293 N -1.18 2.12 0.38 0.00 -4.23 -1.26 -4.74 115.64 106.72 2qis s THR 293 Ca 0.46 0.04 0.07 0.00 -1.18 0.00 0.00 61.69 61.09 2qis s THR 293 Cb -0.34 -2.80 0.30 0.00 1.34 0.00 0.00 72.50 71.00 2qis s THR 293 CO 0.44 -0.05 1.97 -0.65 -0.54 0.00 0.00 174.62 175.78 2qis h PRO 294 N -1.43 0.66 -0.34 3.99 0.11 -1.99 0.29 132.00 133.29 2qis h PRO 294 Ca -0.50 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 2qis h PRO 294 Cb 1.33 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2qis h PRO 294 CO 0.62 0.44 -0.04 0.93 -0.21 0.00 0.00 178.00 179.74 2qis h GLU 295 N 0.68 0.63 -0.54 1.05 3.07 -2.00 -2.32 114.58 115.15 2qis h GLU 295 Ca 0.30 -0.22 -0.10 0.00 -0.50 0.00 0.00 59.36 58.84 2qis h GLU 295 Cb 0.30 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 2qis h GLU 295 CO -0.10 0.77 -0.07 1.96 -1.40 0.00 0.00 179.01 180.18 2qis h GLN 296 N 0.43 0.97 -0.60 2.33 4.20 -1.81 -2.66 115.11 117.97 2qis h GLN 296 Ca 0.09 -0.33 0.11 0.00 0.06 0.00 0.00 58.65 58.58 2qis h GLN 296 Cb 0.51 -0.08 -0.08 0.00 0.30 0.00 0.00 27.48 28.13 2qis h GLN 296 CO 0.02 1.00 0.13 -0.92 -0.67 0.00 0.00 178.83 178.40 2qis h TYR 297 N 0.88 0.21 -0.65 2.96 3.20 -0.84 -1.04 116.97 121.69 2qis h TYR 297 Ca 0.15 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 2qis h TYR 297 Cb 0.61 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 2qis h TYR 297 CO 0.04 -0.02 0.19 1.96 -1.64 0.00 0.00 178.16 178.69 2qis h GLN 298 N 0.27 1.00 -0.19 1.82 1.08 -1.09 -0.95 115.11 117.05 2qis h GLN 298 Ca 0.31 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 2qis h GLN 298 Cb 0.46 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 2qis h GLN 298 CO -0.39 0.87 0.09 0.82 -0.95 0.00 0.00 178.83 179.27 2qis h ILE 299 N 0.97 1.13 -0.18 2.54 2.04 -1.14 -0.55 117.51 122.32 2qis h ILE 299 Ca 0.21 -0.38 0.04 0.00 1.00 0.00 0.00 64.86 65.73 2qis h ILE 299 Cb 0.29 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 2qis h ILE 299 CO -0.01 0.13 -0.08 0.25 0.00 0.00 0.00 178.15 178.44 2qis h LEU 300 N 0.17 -0.26 -0.76 1.44 5.85 -1.01 -2.06 115.31 118.68 2qis h LEU 300 Ca 0.06 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.91 2qis h LEU 300 Cb 0.12 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 2qis h LEU 300 CO -0.01 -0.10 0.46 0.50 -0.34 0.00 0.00 178.44 178.95 2qis h LYS 301 N -0.05 0.81 0.00 1.25 3.64 -0.92 0.86 116.57 122.17 2qis h LYS 301 Ca 0.09 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2qis h LYS 301 Cb 0.19 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2qis h LYS 301 CO -0.21 0.54 0.00 0.93 -2.27 0.00 0.00 179.45 178.44 2qis h GLU 302 N 0.84 0.00 0.00 1.90 5.08 -0.85 -3.34 114.58 118.21 2qis h GLU 302 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2qis h GLU 302 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2qis h GLU 302 CO -0.17 0.00 -0.77 0.09 -1.00 0.00 0.00 179.01 177.16 2qis n ASN 303 N -2.99 2.43 -4.82 1.42 3.02 -0.80 -5.05 115.26 108.47 2qis n ASN 303 Ca 0.03 -0.25 -0.33 0.00 -0.03 0.00 0.00 54.58 53.99 2qis n ASN 303 Cb 0.41 1.11 -0.06 0.00 -0.61 0.00 0.00 39.78 40.63 2qis n ASN 303 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2qis s TYR 304 N -1.91 3.26 -0.56 3.10 5.04 0.24 -4.24 117.35 122.29 2qis s TYR 304 Ca -0.00 1.59 0.00 0.00 -2.44 0.00 0.00 57.07 56.22 2qis s TYR 304 Cb 0.03 -2.88 0.00 0.00 0.35 0.00 0.00 41.96 39.45 2qis s TYR 304 CO 0.17 -0.26 0.00 0.41 -1.34 0.00 0.00 175.55 174.53 2qis n GLY 305 N -0.65 0.39 3.07 8.97 0.00 -0.18 -4.93 105.19 111.86 2qis n GLY 305 Ca 0.07 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.25 2qis n GLY 305 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qis s GLN 306 N -3.63 0.60 0.32 1.61 -0.21 -1.22 -4.39 119.66 112.74 2qis s GLN 306 Ca 0.00 -0.70 0.26 0.00 0.02 0.00 0.00 55.36 54.94 2qis s GLN 306 Cb 0.00 -0.46 0.77 0.00 1.00 0.00 0.00 33.01 34.32 2qis s GLN 306 CO 0.00 0.10 1.74 0.87 -2.12 0.00 0.00 175.29 175.88 2qis h LYS 307 N 4.74 0.00 -6.41 2.91 6.56 -1.94 -3.39 116.57 119.06 2qis h LYS 307 Ca -0.36 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 58.70 2qis h LYS 307 Cb 1.20 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 32.87 2qis h LYS 307 CO 0.42 0.00 1.07 -1.21 -2.06 0.00 0.00 179.45 177.68 2qis s GLU 308 N -3.23 4.18 0.27 3.15 8.01 -1.26 -4.89 118.70 124.92 2qis s GLU 308 Ca 0.07 2.39 -0.00 0.00 0.01 0.00 0.00 54.97 57.44 2qis s GLU 308 Cb 0.09 -3.77 0.52 0.00 -4.31 0.00 0.00 34.13 26.66 2qis s GLU 308 CO 0.58 -0.81 1.82 0.00 0.01 0.00 0.00 175.26 176.86 2qis h ALA 309 N 8.99 1.43 -0.58 5.21 0.00 -2.00 -1.65 119.26 130.65 2qis h ALA 309 Ca -0.44 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2qis h ALA 309 Cb 1.21 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2qis h ALA 309 CO 0.94 0.18 0.27 1.05 0.00 0.00 0.00 179.25 181.68 2qis h GLU 310 N 0.93 0.82 -0.13 0.00 -0.00 -1.98 -0.85 114.58 113.36 2qis h GLU 310 Ca 0.47 -0.11 -0.14 0.00 -0.00 0.00 0.00 59.36 59.59 2qis h GLU 310 Cb 0.48 -0.15 0.00 0.00 -0.00 0.00 0.00 28.75 29.08 2qis h GLU 310 CO -0.27 0.64 -0.45 0.87 -0.00 0.00 0.00 179.01 179.80 2qis h LYS 311 N 0.82 0.54 -0.83 1.06 1.57 -1.68 -2.16 116.57 115.89 2qis h LYS 311 Ca 0.20 -0.41 0.05 0.00 -1.87 0.00 0.00 60.65 58.63 2qis h LYS 311 Cb 0.10 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.43 2qis h LYS 311 CO -0.03 1.03 0.52 0.28 -0.57 0.00 0.00 179.45 180.68 2qis h VAL 312 N 0.16 1.06 -0.76 0.50 2.07 -1.12 -2.02 116.25 116.14 2qis h VAL 312 Ca -0.02 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 2qis h VAL 312 Cb 1.08 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2qis h VAL 312 CO 0.10 0.18 0.36 0.00 0.02 0.00 0.00 177.57 178.22 2qis h ALA 313 N 1.38 1.19 -0.22 1.67 0.00 -1.07 -1.49 119.26 120.72 2qis h ALA 313 Ca 0.35 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 2qis h ALA 313 Cb 0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2qis h ALA 313 CO -0.15 0.61 -0.18 0.07 0.00 0.00 0.00 179.25 179.60 2qis h ARG 314 N 1.09 0.38 -0.04 0.00 0.11 -0.70 -0.69 114.38 114.53 2qis h ARG 314 Ca 0.26 -0.11 -0.01 0.00 0.10 0.00 0.00 59.98 60.22 2qis h ARG 314 Cb 0.12 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.16 2qis h ARG 314 CO -0.03 0.55 -0.00 0.28 0.10 0.00 0.00 179.97 180.87 2qis h VAL 315 N 0.35 1.27 -0.84 0.08 2.07 -0.97 -1.56 116.25 116.64 2qis h VAL 315 Ca 0.06 -0.81 0.08 0.00 0.82 0.00 0.00 66.70 66.85 2qis h VAL 315 Cb 0.52 1.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.96 2qis h VAL 315 CO 0.03 0.22 0.50 0.50 0.02 0.00 0.00 177.57 178.85 2qis h LYS 316 N -0.24 0.85 -0.69 1.57 3.64 -1.05 -0.65 116.57 120.00 2qis h LYS 316 Ca 0.01 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2qis h LYS 316 Cb 0.35 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 2qis h LYS 316 CO 0.00 0.57 0.31 0.00 -2.27 0.00 0.00 179.45 178.05 2qis h ALA 317 N 1.43 0.89 -0.33 5.00 0.00 -1.04 -0.70 119.26 124.51 2qis h ALA 317 Ca 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2qis h ALA 317 Cb 0.27 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2qis h ALA 317 CO -0.21 0.48 0.22 1.25 0.00 0.00 0.00 179.25 180.99 2qis h LEU 318 N 0.97 0.39 -0.73 0.00 5.85 -0.50 0.51 115.31 121.80 2qis h LEU 318 Ca 0.23 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.98 2qis h LEU 318 Cb 0.16 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 2qis h LEU 318 CO -0.02 0.30 0.43 1.88 -0.34 0.00 0.00 178.44 180.68 2qis h TYR 319 N 0.45 0.80 -0.62 1.25 0.05 -0.76 -1.08 116.97 117.05 2qis h TYR 319 Ca 0.12 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.84 2qis h TYR 319 Cb -0.03 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.43 2qis h TYR 319 CO -0.05 0.41 0.04 0.93 -1.05 0.00 0.00 178.16 178.44 2qis h GLU 320 N 0.80 1.07 -0.68 4.88 5.08 -0.84 -2.02 114.58 122.88 2qis h GLU 320 Ca 0.32 -0.32 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2qis h GLU 320 Cb 0.15 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 2qis h GLU 320 CO -0.16 1.03 0.45 1.49 -1.00 0.00 0.00 179.01 180.81 2qis h GLU 321 N 0.98 0.82 -0.27 2.33 4.81 -0.35 -1.94 114.58 120.96 2qis h GLU 321 Ca 0.18 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2qis h GLU 321 Cb 0.52 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2qis h GLU 321 CO 0.02 0.54 0.00 1.28 -0.73 0.00 0.00 179.01 180.13 2qis n LEU 322 N -4.45 1.58 -2.92 1.64 4.77 -0.46 -4.93 117.00 112.23 2qis n LEU 322 Ca 0.08 -0.77 -0.21 0.00 -0.03 0.00 0.00 56.01 55.09 2qis n LEU 322 Cb 0.10 -0.18 0.04 0.00 -2.33 0.00 0.00 43.42 41.06 2qis n LEU 322 CO 0.35 0.38 0.06 -0.90 -1.33 0.00 0.00 177.39 175.95 2qis n ASP 323 N 0.34 -5.84 -0.06 -1.43 5.68 -0.73 -4.91 116.55 109.61 2qis n ASP 323 Ca 0.11 -0.32 -0.05 0.00 -0.50 0.00 0.00 54.79 54.03 2qis n ASP 323 Cb 0.26 -4.61 0.15 0.00 -1.14 0.00 0.00 41.12 35.78 2qis n ASP 323 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2qis h LEU 324 N -1.59 0.67 -0.79 -2.12 3.38 -1.61 -1.20 115.31 112.04 2qis h LEU 324 Ca -0.50 -0.21 0.12 0.00 0.09 0.00 0.00 57.88 57.39 2qis h LEU 324 Cb 1.34 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.82 2qis h LEU 324 CO 0.52 0.84 0.39 -0.65 0.09 0.00 0.00 178.44 179.64 2qis h PRO 325 N 0.60 0.59 -0.74 1.13 0.11 -1.91 0.15 132.00 131.93 2qis h PRO 325 Ca 0.10 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.11 2qis h PRO 325 Cb 0.62 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.57 2qis h PRO 325 CO 0.04 0.39 0.21 0.00 -0.21 0.00 0.00 178.00 178.44 2qis h ALA 326 N 1.51 0.97 -0.65 -0.75 0.00 -1.74 -1.60 119.26 116.99 2qis h ALA 326 Ca 0.41 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2qis h ALA 326 Cb 0.53 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2qis h ALA 326 CO -0.33 0.66 0.31 0.28 0.00 0.00 0.00 179.25 180.17 2qis h VAL 327 N 1.10 1.22 -0.22 0.00 2.07 -0.62 -1.88 116.25 117.91 2qis h VAL 327 Ca 0.23 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2qis h VAL 327 Cb 0.33 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2qis h VAL 327 CO -0.00 0.26 0.12 0.15 0.02 0.00 0.00 177.57 178.11 2qis h PHE 328 N 0.89 0.30 -0.59 1.57 3.57 -0.40 -0.90 116.94 121.39 2qis h PHE 328 Ca 0.22 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.80 2qis h PHE 328 Cb 0.12 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.70 2qis h PHE 328 CO 0.00 0.27 0.24 1.25 -2.23 0.00 0.00 178.31 177.84 2qis h LEU 329 N 0.24 0.26 -0.59 0.59 5.85 -1.14 0.34 115.31 120.86 2qis h LEU 329 Ca 0.08 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 2qis h LEU 329 Cb 0.07 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2qis h LEU 329 CO -0.01 0.16 0.26 -0.61 -0.34 0.00 0.00 178.44 177.90 2qis h GLN 330 N 0.43 0.87 -0.82 1.25 5.75 -1.20 -2.64 115.11 118.76 2qis h GLN 330 Ca 0.29 -0.15 -0.04 0.00 -0.15 0.00 0.00 58.65 58.61 2qis h GLN 330 Cb 0.33 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.70 2qis h GLN 330 CO -0.28 0.73 0.34 -0.92 -2.65 0.00 0.00 178.83 176.05 2qis h TYR 331 N 0.82 1.23 -0.65 3.99 3.20 -0.24 -1.38 116.97 123.93 2qis h TYR 331 Ca 0.20 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 2qis h TYR 331 Cb 0.17 -0.37 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 2qis h TYR 331 CO 0.01 0.92 0.32 1.49 -1.64 0.00 0.00 178.16 179.25 2qis h GLU 332 N 1.18 0.93 -0.07 1.82 4.81 -0.82 0.13 114.58 122.56 2qis h GLU 332 Ca 0.27 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2qis h GLU 332 Cb 0.20 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 2qis h GLU 332 CO -0.03 0.74 0.04 0.93 -0.73 0.00 0.00 179.01 179.96 2qis h GLU 333 N 0.90 0.09 -0.50 1.92 5.08 -1.14 -0.87 114.58 120.06 2qis h GLU 333 Ca 0.22 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.49 2qis h GLU 333 Cb 0.11 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2qis h GLU 333 CO -0.03 0.12 -0.03 -0.44 -1.00 0.00 0.00 179.01 177.63 2qis h ASP 334 N 0.04 0.84 -0.31 1.42 3.32 -1.05 -2.42 116.42 118.25 2qis h ASP 334 Ca 0.02 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.80 2qis h ASP 334 Cb 0.05 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 2qis h ASP 334 CO -0.00 0.92 0.01 -1.28 -1.72 0.00 0.00 179.24 177.16 2qis h SER 335 N 0.79 0.54 -0.36 6.45 0.87 -0.67 -1.61 113.55 119.56 2qis h SER 335 Ca 0.15 -0.30 0.05 0.00 -1.23 0.00 0.00 61.79 60.45 2qis h SER 335 Cb 0.52 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.29 2qis h SER 335 CO 0.03 0.71 0.11 0.22 -0.53 0.00 0.00 176.83 177.36 2qis h TYR 336 N 0.35 0.18 -0.58 2.24 3.20 -0.97 0.62 116.97 122.02 2qis h TYR 336 Ca 0.09 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 2qis h TYR 336 Cb 0.42 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2qis h TYR 336 CO 0.03 0.06 0.08 0.77 -1.64 0.00 0.00 178.16 177.46 2qis h SER 337 N 0.24 0.90 -0.05 -2.11 0.02 -1.37 -1.23 113.55 109.96 2qis h SER 337 Ca 0.17 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2qis h SER 337 Cb 0.17 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 2qis h SER 337 CO -0.19 0.92 0.03 -0.74 -1.14 0.00 0.00 176.83 175.70 2qis h HIS 338 N 0.89 0.07 -0.28 3.45 -0.00 -0.81 -1.58 115.15 116.89 2qis h HIS 338 Ca 0.18 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.49 2qis h HIS 338 Cb 0.41 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.79 2qis h HIS 338 CO 0.03 0.15 -0.07 -0.84 -0.00 0.00 0.00 177.93 177.20 2qis h ILE 339 N -0.03 1.20 -0.62 6.26 3.07 -0.62 -0.76 117.51 126.01 2qis h ILE 339 Ca 0.02 -0.86 -0.09 0.00 1.55 0.00 0.00 64.86 65.48 2qis h ILE 339 Cb 0.11 1.07 -0.02 0.00 -0.27 0.00 0.00 36.82 37.70 2qis h ILE 339 CO -0.00 0.28 0.04 0.24 -1.05 0.00 0.00 178.15 177.66 2qis h MET 340 N 0.42 1.06 -0.90 0.16 2.86 -1.11 0.10 114.93 117.52 2qis h MET 340 Ca 0.09 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 2qis h MET 340 Cb 0.39 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 2qis h MET 340 CO 0.02 1.01 0.51 0.00 1.06 0.00 0.00 176.91 179.51 2qis h ALA 341 N 1.05 1.15 -0.58 6.32 0.00 -0.72 -1.44 119.26 125.04 2qis h ALA 341 Ca 0.18 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2qis h ALA 341 Cb 0.51 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2qis h ALA 341 CO 0.02 0.64 0.06 -0.07 0.00 0.00 0.00 179.25 179.91 2qis h LEU 342 N 1.25 0.92 -0.40 0.00 3.38 -0.65 -1.70 115.31 118.11 2qis h LEU 342 Ca 0.32 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2qis h LEU 342 Cb -0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2qis h LEU 342 CO -0.05 0.94 0.24 0.40 0.09 0.00 0.00 178.44 180.05 2qis h ILE 343 N 0.90 1.14 -0.94 1.22 2.04 -0.46 0.18 117.51 121.58 2qis h ILE 343 Ca 0.18 -0.33 0.07 0.00 1.00 0.00 0.00 64.86 65.78 2qis h ILE 343 Cb 0.44 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 2qis h ILE 343 CO 0.02 0.14 0.61 -0.33 0.00 0.00 0.00 178.15 178.59 2qis h GLU 344 N 0.53 1.02 0.06 2.37 5.08 -1.01 -1.59 114.58 121.03 2qis h GLU 344 Ca 0.14 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 2qis h GLU 344 Cb 0.02 -0.23 0.02 0.00 0.50 0.00 0.00 28.75 29.06 2qis h GLU 344 CO -0.03 0.67 -0.68 0.37 -1.00 0.00 0.00 179.01 178.35 2qis h GLN 345 N 1.05 0.36 -0.00 2.33 4.15 -0.93 -3.42 115.11 118.65 2qis h GLN 345 Ca 0.42 -0.46 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2qis h GLN 345 Cb 0.25 0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.09 2qis h GLN 345 CO -0.17 1.16 -0.30 0.66 -1.93 0.00 0.00 178.83 178.24 2qis n TYR 346 N -4.19 0.00 -0.10 3.99 4.02 0.61 -4.67 117.16 116.82 2qis n TYR 346 Ca -0.12 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.67 2qis n TYR 346 Cb 0.73 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 40.03 2qis n TYR 346 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2qis h ALA 347 N 1.03 0.41 -2.28 -0.72 0.00 -1.45 -3.42 119.26 112.83 2qis h ALA 347 Ca 0.00 -0.14 -0.59 0.00 0.00 0.00 0.00 54.91 54.18 2qis h ALA 347 Cb 0.18 -0.12 0.10 0.00 0.00 0.00 0.00 17.79 17.95 2qis h ALA 347 CO 0.00 0.03 0.41 0.00 0.00 0.00 0.00 179.25 179.69 2qis n ALA 348 N -2.29 0.70 1.08 0.00 0.00 -1.26 -0.78 120.51 117.97 2qis n ALA 348 Ca -0.02 0.39 0.08 0.00 0.00 0.00 0.00 53.44 53.89 2qis n ALA 348 Cb 0.15 -2.18 0.28 0.00 0.00 0.00 0.00 19.45 17.71 2qis n ALA 348 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2qis n PRO 349 N 0.99 1.76 -2.07 0.00 -0.04 -1.26 -5.05 135.00 129.33 2qis n PRO 349 Ca 0.08 -1.16 -0.33 0.00 -0.04 0.00 0.00 63.50 62.05 2qis n PRO 349 Cb 0.33 -1.34 0.01 0.00 -0.04 0.00 0.00 33.50 32.46 2qis n PRO 349 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qis s LEU 350 N -1.33 3.53 0.10 1.53 1.43 0.04 -4.97 118.68 119.02 2qis s LEU 350 Ca 0.29 1.87 -0.31 0.00 -1.03 0.00 0.00 54.13 54.95 2qis s LEU 350 Cb 0.15 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.74 2qis s LEU 350 CO 0.22 -1.19 1.65 -2.84 0.23 0.00 0.00 176.35 174.41 2qis s PRO 351 N -3.95 4.20 0.53 1.29 0.02 -1.26 -4.88 135.00 130.95 2qis s PRO 351 Ca 0.65 2.37 0.29 0.00 0.02 0.00 0.00 61.00 64.33 2qis s PRO 351 Cb -0.17 -3.46 1.44 0.00 0.02 0.00 0.00 34.50 32.32 2qis s PRO 351 CO 0.35 -0.71 1.91 -1.35 -0.33 0.00 0.00 177.00 176.88 2qis h PRO 352 N 7.89 0.03 -0.56 5.54 0.11 -1.93 -1.77 132.00 141.30 2qis h PRO 352 Ca -0.43 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.81 2qis h PRO 352 Cb 1.20 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2qis h PRO 352 CO 0.93 0.02 0.39 0.00 -0.21 0.00 0.00 178.00 179.12 2qis h ALA 353 N 1.60 2.24 -0.53 -0.75 0.00 -1.98 0.03 119.26 119.88 2qis h ALA 353 Ca 0.39 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.38 2qis h ALA 353 Cb 1.50 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.19 2qis h ALA 353 CO -0.02 -0.39 0.06 0.28 0.00 0.00 0.00 179.25 179.18 2qis h VAL 354 N 0.21 0.64 0.22 0.00 2.07 -1.70 -0.64 116.25 117.04 2qis h VAL 354 Ca 0.27 -0.06 -0.34 0.00 0.82 0.00 0.00 66.70 67.39 2qis h VAL 354 Cb 0.77 0.44 0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2qis h VAL 354 CO -0.05 0.03 -1.57 -0.26 0.02 0.00 0.00 177.57 175.74 2qis h PHE 355 N 0.18 0.84 -0.84 1.57 -1.00 -1.34 -3.31 116.94 113.05 2qis h PHE 355 Ca 0.27 -0.61 -0.02 0.00 2.81 0.00 0.00 57.97 60.42 2qis h PHE 355 Cb 0.40 -0.03 -0.04 0.00 3.61 0.00 0.00 35.95 39.89 2qis h PHE 355 CO -0.28 1.58 0.44 -0.07 -1.61 0.00 0.00 178.31 178.38 2qis h LEU 356 N 0.13 1.06 -0.46 1.54 3.38 -0.86 -0.44 115.31 119.65 2qis h LEU 356 Ca -0.28 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 2qis h LEU 356 Cb 2.13 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.59 2qis h LEU 356 CO 0.23 0.86 0.25 1.23 0.09 0.00 0.00 178.44 181.11 2qis h GLY 357 N 1.17 0.70 1.03 0.83 0.00 -1.26 -0.18 103.07 105.34 2qis h GLY 357 Ca 0.29 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 2qis h GLY 357 CO -0.04 0.30 0.22 -2.00 0.00 0.00 0.00 176.54 175.02 2qis h LEU 358 N 0.61 0.96 -0.45 3.11 5.85 -1.58 -2.17 115.31 121.64 2qis h LEU 358 Ca 0.16 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 2qis h LEU 358 Cb 0.06 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 2qis h LEU 358 CO -0.03 0.91 0.27 0.00 -0.34 0.00 0.00 178.44 179.25 2qis h ALA 359 N 1.09 0.58 -0.65 1.25 0.00 -0.75 -1.55 119.26 119.23 2qis h ALA 359 Ca 0.22 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2qis h ALA 359 Cb 0.28 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2qis h ALA 359 CO -0.01 0.07 0.43 -0.09 0.00 0.00 0.00 179.25 179.65 2qis h ARG 360 N 0.60 0.76 -0.15 0.00 2.43 -0.85 -1.43 114.38 115.74 2qis h ARG 360 Ca 0.16 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 59.10 2qis h ARG 360 Cb -0.00 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 2qis h ARG 360 CO -0.03 0.50 -0.66 -0.22 -1.51 0.00 0.00 179.97 178.05 2qis h LYS 361 N 0.78 0.58 0.00 0.20 1.63 -0.66 -3.32 116.57 115.78 2qis h LYS 361 Ca 0.26 -0.42 -0.15 0.00 -0.85 0.00 0.00 60.65 59.48 2qis h LYS 361 Cb 0.06 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.73 2qis h LYS 361 CO -0.07 1.04 -1.58 0.44 -3.45 0.00 0.00 179.45 175.83 2qis n ILE 362 N -3.92 0.98 1.44 2.00 -5.35 -0.68 -5.11 119.36 108.72 2qis n ILE 362 Ca -0.04 -0.67 0.14 0.00 -0.27 0.00 0.00 62.75 61.90 2qis n ILE 362 Cb 0.67 -0.55 0.47 0.00 -1.74 0.00 0.00 39.64 38.49 2qis n ILE 362 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57