#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q3b n GLU 2 N 0.00 0.00 0.00 -0.52 -0.00 -1.26 -5.08 120.64 113.78 1q3b n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1q3b n GLU 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1q3b n GLU 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1q3b n GLY 3 N 0.00 -0.63 0.39 -1.84 0.00 -1.26 -3.63 105.19 98.21 1q3b n GLY 3 Ca 0.00 -1.08 0.16 0.00 0.00 0.00 0.00 46.02 45.10 1q3b n GLY 3 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1q3b h PRO 4 N 0.00 0.52 -0.50 1.61 0.11 -2.01 -3.11 132.00 128.61 1q3b h PRO 4 Ca 0.00 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 66.14 1q3b h PRO 4 Cb 0.00 -0.12 -0.07 0.00 0.11 0.00 0.00 31.00 30.93 1q3b h PRO 4 CO 0.00 0.34 -0.25 -1.91 -0.21 0.00 0.00 178.00 175.97 1q3b n GLU 5 N -4.55 -0.18 -0.06 1.05 2.13 -1.24 0.31 120.64 118.09 1q3b n GLU 5 Ca 0.19 0.76 -0.12 0.00 0.66 0.00 0.00 57.16 58.65 1q3b n GLU 5 Cb 0.60 -1.12 -0.06 0.00 0.27 0.00 0.00 31.44 31.14 1q3b n GLU 5 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1q3b h ILE 6 N 0.00 1.28 0.00 6.31 2.04 -1.72 -2.85 117.51 122.57 1q3b h ILE 6 Ca 0.12 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 64.98 1q3b h ILE 6 Cb 0.24 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1q3b h ILE 6 CO -0.48 0.30 0.00 -0.09 0.00 0.00 0.00 178.15 177.88 1q3b h ARG 7 N 0.08 0.00 -0.12 2.37 9.65 -0.19 -3.12 114.38 123.06 1q3b h ARG 7 Ca 0.05 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.90 1q3b h ARG 7 Cb 0.47 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.05 1q3b h ARG 7 CO 0.02 0.00 -0.04 -0.09 2.80 0.00 0.00 179.97 182.66 1q3b h ARG 8 N 0.00 0.24 -0.73 0.20 2.43 0.50 -2.20 114.38 114.81 1q3b h ARG 8 Ca 0.00 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1q3b h ARG 8 Cb 0.58 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 1q3b h ARG 8 CO 0.00 0.55 0.44 0.00 -1.51 0.00 0.00 179.97 179.45 1q3b h ALA 9 N 0.68 0.94 -0.92 2.80 0.00 -1.46 -1.65 119.26 119.65 1q3b h ALA 9 Ca 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1q3b h ALA 9 Cb 0.47 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1q3b h ALA 9 CO 0.01 0.41 0.52 0.00 0.00 0.00 0.00 179.25 180.19 1q3b h ALA 10 N 1.23 1.17 -0.24 0.00 0.00 -1.54 -2.25 119.26 117.64 1q3b h ALA 10 Ca 0.26 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1q3b h ALA 10 Cb -0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1q3b h ALA 10 CO -0.05 0.66 -0.36 -0.44 0.00 0.00 0.00 179.25 179.06 1q3b h ASP 11 N 1.28 0.55 -0.56 0.00 3.45 -0.95 -1.30 116.42 118.89 1q3b h ASP 11 Ca 0.32 -0.23 -0.04 0.00 0.43 0.00 0.00 57.03 57.52 1q3b h ASP 11 Cb 0.00 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.59 1q3b h ASP 11 CO -0.05 0.86 0.21 0.78 -1.57 0.00 0.00 179.24 179.47 1q3b h ASN 12 N 0.44 0.79 -0.27 6.45 2.35 -0.92 -0.37 115.58 124.05 1q3b h ASN 12 Ca 0.05 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.57 1q3b h ASN 12 Cb 0.84 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 1q3b h ASN 12 CO 0.07 0.75 -0.02 -0.07 -1.65 0.00 0.00 177.43 176.51 1q3b h LEU 13 N 0.78 0.49 -0.02 1.61 3.38 -1.22 -2.27 115.31 118.06 1q3b h LEU 13 Ca 0.19 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1q3b h LEU 13 Cb 0.22 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1q3b h LEU 13 CO -0.01 0.70 0.01 -0.33 0.09 0.00 0.00 178.44 178.90 1q3b h GLU 14 N 0.27 0.02 -0.85 1.13 5.08 -1.09 -1.58 114.58 117.56 1q3b h GLU 14 Ca 0.07 -0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.57 1q3b h GLU 14 Cb 0.47 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.62 1q3b h GLU 14 CO 0.02 0.02 0.46 0.00 -1.00 0.00 0.00 179.01 178.51 1q3b h ALA 15 N 1.00 1.28 -0.17 3.43 0.00 -1.03 0.36 119.26 124.12 1q3b h ALA 15 Ca 0.01 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1q3b h ALA 15 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1q3b h ALA 15 CO -0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 179.25 179.13 1q3b h ALA 16 N 1.54 0.23 0.00 0.00 0.00 -0.99 -3.41 119.26 116.63 1q3b h ALA 16 Ca 0.45 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1q3b h ALA 16 Cb 0.60 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1q3b h ALA 16 CO -0.34 0.05 0.00 0.44 0.00 0.00 0.00 179.25 179.40 1q3b n ILE 17 N -4.62 0.21 -1.80 0.00 -5.35 -0.63 -4.60 119.36 102.57 1q3b n ILE 17 Ca -0.05 -0.23 -0.42 0.00 -0.27 0.00 0.00 62.75 61.78 1q3b n ILE 17 Cb 0.31 0.99 -0.03 0.00 -1.74 0.00 0.00 39.64 39.17 1q3b n ILE 17 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1q3b s LYS 18 N -0.21 4.16 0.00 6.28 2.20 0.12 -2.10 119.74 130.19 1q3b s LYS 18 Ca 0.00 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.13 1q3b s LYS 18 Cb 0.00 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 1q3b s LYS 18 CO 0.00 -0.70 0.00 0.41 -0.36 0.00 0.00 175.35 174.70 1q3b n GLY 19 N 3.90 2.43 3.74 5.54 0.00 0.08 -4.97 105.19 115.92 1q3b n GLY 19 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1q3b n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q3b s LYS 20 N -0.01 4.32 0.19 1.61 1.02 -0.89 -4.93 119.74 121.05 1q3b s LYS 20 Ca 0.00 0.60 -0.33 0.00 0.02 0.00 0.00 55.97 56.26 1q3b s LYS 20 Cb 0.00 -3.40 -0.12 0.00 -0.52 0.00 0.00 37.83 33.79 1q3b s LYS 20 CO 0.00 0.23 1.69 -2.30 -0.92 0.00 0.00 175.35 174.05 1q3b n PRO 21 N 3.32 2.60 -2.44 -1.68 -0.02 -1.26 -4.39 135.00 131.13 1q3b n PRO 21 Ca -0.06 0.94 -0.42 0.00 -2.02 0.00 0.00 63.50 61.93 1q3b n PRO 21 Cb 0.51 -2.77 -0.03 0.00 -0.02 0.00 0.00 33.50 31.20 1q3b n PRO 21 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1q3b s LEU 22 N 1.19 4.34 -0.01 2.45 1.43 0.15 -4.35 118.68 123.87 1q3b s LEU 22 Ca 0.77 1.94 0.19 0.00 -1.03 0.00 0.00 54.13 55.99 1q3b s LEU 22 Cb -0.55 -3.57 -0.24 0.00 0.03 0.00 0.00 46.19 41.86 1q3b s LEU 22 CO 0.34 -0.51 0.66 0.35 0.23 0.00 0.00 176.35 177.42 1q3b n THR 23 N 4.18 0.00 -3.63 5.49 -2.24 0.13 -1.09 114.28 117.11 1q3b n THR 23 Ca 0.10 -0.20 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 1q3b n THR 23 Cb 0.46 0.65 -0.07 0.00 -2.10 0.00 0.00 70.33 69.27 1q3b n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1q3b s ASP 24 N -3.31 -0.68 -0.03 3.42 2.15 -1.10 -4.99 116.67 112.13 1q3b s ASP 24 Ca 0.02 1.31 -0.01 0.00 0.43 0.00 0.00 52.55 54.30 1q3b s ASP 24 Cb 0.13 1.32 0.03 0.00 -0.30 0.00 0.00 42.92 44.11 1q3b s ASP 24 CO 0.78 -0.22 0.03 -0.69 -0.17 0.00 0.00 175.17 174.90 1q3b s VAL 25 N 0.39 -0.01 -0.01 1.11 1.01 -1.26 -0.65 120.40 120.97 1q3b s VAL 25 Ca 0.00 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.26 1q3b s VAL 25 Cb -0.05 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 36.17 1q3b s VAL 25 CO -0.01 0.14 -0.02 0.86 0.00 0.00 0.00 175.10 176.07 1q3b s TRP 26 N 1.51 0.32 -0.04 5.22 -0.00 -0.10 -4.79 118.94 121.06 1q3b s TRP 26 Ca -0.03 -0.04 0.04 0.00 -0.00 0.00 0.00 56.10 56.07 1q3b s TRP 26 Cb -0.13 -0.28 -0.00 0.00 -0.00 0.00 0.00 33.47 33.06 1q3b s TRP 26 CO -0.03 -0.05 -0.15 -0.06 -0.00 0.00 0.00 176.95 176.65 1q3b s PHE 27 N 0.34 1.52 0.19 5.86 0.08 -1.26 -0.48 117.98 124.23 1q3b s PHE 27 Ca -0.03 -0.41 -0.02 0.00 0.12 0.00 0.00 56.93 56.58 1q3b s PHE 27 Cb -0.06 -1.03 0.12 0.00 -0.57 0.00 0.00 43.02 41.48 1q3b s PHE 27 CO -0.01 -0.14 1.50 0.00 -0.10 0.00 0.00 175.22 176.48 1q3b h ALA 28 N 6.24 0.70 -2.64 5.36 0.00 -1.32 -3.44 119.26 124.16 1q3b h ALA 28 Ca -0.33 -0.52 -0.52 0.00 0.00 0.00 0.00 54.91 53.53 1q3b h ALA 28 Cb 1.17 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.91 1q3b h ALA 28 CO 0.48 0.70 0.65 -0.06 0.00 0.00 0.00 179.25 181.01 1q3b s PHE 29 N -3.93 3.29 0.25 0.00 0.08 -1.26 -4.94 117.98 111.46 1q3b s PHE 29 Ca -0.07 1.20 -0.04 0.00 0.12 0.00 0.00 56.93 58.14 1q3b s PHE 29 Cb 0.11 -3.58 0.36 0.00 -0.57 0.00 0.00 43.02 39.34 1q3b s PHE 29 CO 0.84 -1.84 1.85 -1.35 -0.10 0.00 0.00 175.22 174.62 1q3b h PRO 30 N 5.73 0.98 0.00 0.24 0.11 -2.02 -1.50 132.00 135.54 1q3b h PRO 30 Ca -0.44 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1q3b h PRO 30 Cb 1.21 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1q3b h PRO 30 CO 0.79 0.65 0.00 0.00 -0.21 0.00 0.00 178.00 179.23 1q3b n GLN 31 N -4.60 0.30 -0.00 1.05 0.00 -1.26 -2.64 117.38 110.22 1q3b n GLN 31 Ca 0.13 0.10 0.06 0.00 0.00 0.00 0.00 57.00 57.30 1q3b n GLN 31 Cb 0.19 -1.50 -0.08 0.00 0.00 0.00 0.00 30.24 28.85 1q3b n GLN 31 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1q3b n LEU 32 N -1.21 0.48 -0.13 2.61 4.77 -0.57 -4.56 117.00 118.38 1q3b n LEU 32 Ca 0.09 -0.38 0.15 0.00 -0.03 0.00 0.00 56.01 55.83 1q3b n LEU 32 Cb 0.11 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 41.72 1q3b n LEU 32 CO 0.11 0.12 1.20 0.11 -1.33 0.00 0.00 177.39 177.61 1q3b h LYS 33 N 0.00 0.37 0.00 3.23 1.79 -1.41 -2.03 116.57 118.52 1q3b h LYS 33 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1q3b h LYS 33 Cb 0.38 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1q3b h LYS 33 CO 0.00 0.25 0.00 0.00 -1.08 0.00 0.00 179.45 178.62 1q3b h THR 34 N 0.38 0.00 -0.00 -0.16 1.03 -1.80 -2.20 112.91 110.16 1q3b h THR 34 Ca 0.34 -0.11 0.00 0.00 -0.01 0.00 0.00 66.41 66.63 1q3b h THR 34 Cb 0.79 1.06 0.00 0.00 -1.07 0.00 0.00 68.15 68.93 1q3b h THR 34 CO -0.10 0.00 -0.57 -1.22 -0.01 0.00 0.00 175.52 173.62 1q3b n TYR 35 N -2.99 0.00 0.10 0.00 4.01 -0.76 -4.56 117.16 112.96 1q3b n TYR 35 Ca -0.02 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.66 1q3b n TYR 35 Cb 0.12 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 38.94 1q3b n TYR 35 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1q3b h GLN 36 N 0.23 -0.32 -0.52 -0.72 4.20 -1.52 -2.67 115.11 113.80 1q3b h GLN 36 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1q3b h GLN 36 Cb 0.51 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 1q3b h GLN 36 CO 0.00 -0.21 0.34 0.66 -0.67 0.00 0.00 178.83 178.95 1q3b h SER 37 N -0.33 0.59 -0.21 1.46 4.64 -1.82 -2.02 113.55 115.87 1q3b h SER 37 Ca -0.02 -0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.34 1q3b h SER 37 Cb 0.28 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1q3b h SER 37 CO -0.01 0.43 0.16 -0.61 -0.87 0.00 0.00 176.83 175.93 1q3b h GLN 38 N 0.70 0.00 0.00 4.77 4.15 -1.78 -2.40 115.11 120.54 1q3b h GLN 38 Ca 0.19 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.61 1q3b h GLN 38 Cb -0.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1q3b h GLN 38 CO -0.04 0.00 -0.59 1.28 -1.93 0.00 0.00 178.83 177.55 1q3b n LEU 39 N -4.39 0.58 -4.69 -2.39 4.77 -0.76 -4.82 117.00 105.30 1q3b n LEU 39 Ca 0.02 -0.07 -0.42 0.00 -0.03 0.00 0.00 56.01 55.50 1q3b n LEU 39 Cb 0.30 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1q3b n LEU 39 CO 0.34 0.14 1.37 -0.63 -1.33 0.00 0.00 177.39 177.28 1q3b s ILE 40 N -3.01 3.00 0.00 -0.08 -1.09 -0.91 -0.95 121.20 118.17 1q3b s ILE 40 Ca 0.10 0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.93 1q3b s ILE 40 Cb 0.17 -3.26 0.00 0.00 -1.58 0.00 0.00 42.46 37.79 1q3b s ILE 40 CO 0.73 -0.01 0.00 0.61 -1.23 0.00 0.00 174.94 175.04 1q3b n GLY 41 N 4.08 1.43 3.98 6.18 0.00 -0.25 -4.96 105.19 115.64 1q3b n GLY 41 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1q3b n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q3b s GLN 42 N -0.82 1.29 0.10 1.61 -1.52 -0.12 -4.59 119.66 115.61 1q3b s GLN 42 Ca 0.00 -1.02 -0.09 0.00 -1.95 0.00 0.00 55.36 52.30 1q3b s GLN 42 Cb 0.00 -2.20 -0.00 0.00 -0.22 0.00 0.00 33.01 30.59 1q3b s GLN 42 CO 0.00 -1.79 0.22 -3.38 -0.25 0.00 0.00 175.29 170.09 1q3b s HIS 43 N -3.37 0.17 -0.07 0.91 -3.43 -1.26 0.29 115.29 108.54 1q3b s HIS 43 Ca 0.70 -0.59 -0.30 0.00 -0.80 0.00 0.00 55.06 54.07 1q3b s HIS 43 Cb -0.04 -0.04 -0.02 0.00 -1.43 0.00 0.00 32.58 31.04 1q3b s HIS 43 CO 0.47 -0.58 1.08 0.08 -2.00 0.00 0.00 174.74 173.79 1q3b s VAL 44 N -3.88 4.57 -0.00 -5.38 1.01 -1.26 -0.45 120.40 115.01 1q3b s VAL 44 Ca 0.07 1.86 -0.12 0.00 0.00 0.00 0.00 61.98 63.78 1q3b s VAL 44 Cb 0.04 -4.19 -0.33 0.00 0.00 0.00 0.00 36.38 31.90 1q3b s VAL 44 CO -0.09 0.02 0.86 0.71 0.00 0.00 0.00 175.10 176.60 1q3b h THR 45 N 5.00 1.14 -1.55 3.92 1.35 -1.12 0.27 112.91 121.92 1q3b h THR 45 Ca -0.34 -2.65 0.27 0.00 -0.55 0.00 0.00 66.41 63.15 1q3b h THR 45 Cb 1.16 2.91 -0.15 0.00 -1.73 0.00 0.00 68.15 70.34 1q3b h THR 45 CO 0.85 0.84 0.79 -1.38 -0.25 0.00 0.00 175.52 176.36 1q3b s HIS 46 N -2.60 -0.10 -0.23 4.73 -3.43 -1.24 -4.73 115.29 107.70 1q3b s HIS 46 Ca -0.12 0.01 0.01 0.00 -0.80 0.00 0.00 55.06 54.17 1q3b s HIS 46 Cb 0.05 0.54 0.04 0.00 -1.43 0.00 0.00 32.58 31.77 1q3b s HIS 46 CO 0.90 -0.29 -0.13 0.08 -2.00 0.00 0.00 174.74 173.31 1q3b s VAL 47 N -2.50 2.30 0.01 -5.38 1.01 -1.26 -1.22 120.40 113.36 1q3b s VAL 47 Ca 0.11 -1.26 -0.14 0.00 0.00 0.00 0.00 61.98 60.69 1q3b s VAL 47 Cb 0.02 -2.18 -0.06 0.00 0.00 0.00 0.00 36.38 34.15 1q3b s VAL 47 CO -0.04 0.21 0.42 -0.70 0.00 0.00 0.00 175.10 174.99 1q3b s GLU 48 N 1.22 3.91 -0.13 2.72 2.12 0.17 -4.89 118.70 123.82 1q3b s GLU 48 Ca -0.02 0.40 -0.12 0.00 0.36 0.00 0.00 54.97 55.59 1q3b s GLU 48 Cb -0.17 -3.19 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 1q3b s GLU 48 CO -0.08 0.67 0.26 0.99 -0.54 0.00 0.00 175.26 176.57 1q3b s THR 49 N -1.12 5.31 -0.33 -1.70 2.01 -1.26 -0.58 115.64 117.97 1q3b s THR 49 Ca 0.25 0.49 -0.02 0.00 0.31 0.00 0.00 61.69 62.72 1q3b s THR 49 Cb -0.16 -3.58 0.12 0.00 0.01 0.00 0.00 72.50 68.89 1q3b s THR 49 CO 0.14 0.47 0.17 -0.13 -0.69 0.00 0.00 174.62 174.58 1q3b s ARG 50 N -0.09 0.44 6.57 4.92 1.81 -0.59 -4.17 118.95 127.84 1q3b s ARG 50 Ca 0.16 -1.00 0.00 0.00 -1.72 0.00 0.00 55.73 53.17 1q3b s ARG 50 Cb -0.13 -1.32 0.00 0.00 -0.45 0.00 0.00 34.95 33.04 1q3b s ARG 50 CO 0.05 -1.11 0.00 0.41 -0.68 0.00 0.00 175.30 173.96 1q3b n GLY 51 N 4.58 2.78 1.30 -3.53 0.00 -1.26 -0.45 105.19 108.60 1q3b n GLY 51 Ca 0.03 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.76 1q3b n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1q3b n LYS 52 N 13.65 3.25 -4.10 1.61 5.02 -1.26 -4.90 118.16 131.43 1q3b n LYS 52 Ca 0.00 -1.93 -0.22 0.00 -2.02 0.00 0.00 58.31 54.15 1q3b n LYS 52 Cb 0.00 -1.89 -0.04 0.00 -0.02 0.00 0.00 35.03 33.08 1q3b n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q3b s ALA 53 N -2.00 3.62 -0.03 7.82 0.00 0.40 -4.32 121.76 127.26 1q3b s ALA 53 Ca 0.34 -1.39 0.06 0.00 0.00 0.00 0.00 51.96 50.97 1q3b s ALA 53 Cb 0.25 -1.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 1q3b s ALA 53 CO 0.12 0.26 -0.23 -0.51 0.00 0.00 0.00 175.76 175.39 1q3b s LEU 54 N -3.84 2.03 -0.33 0.00 1.02 0.20 -1.54 118.68 116.22 1q3b s LEU 54 Ca 0.33 -0.44 0.01 0.00 0.02 0.00 0.00 54.13 54.05 1q3b s LEU 54 Cb -0.08 -1.22 0.08 0.00 0.02 0.00 0.00 46.19 44.99 1q3b s LEU 54 CO 0.25 0.26 0.04 -0.76 0.02 0.00 0.00 176.35 176.16 1q3b s LEU 55 N -0.36 4.39 -0.51 1.79 1.43 0.26 -1.48 118.68 124.20 1q3b s LEU 55 Ca 0.04 -1.74 -0.21 0.00 -1.03 0.00 0.00 54.13 51.19 1q3b s LEU 55 Cb -0.11 -1.68 0.05 0.00 0.03 0.00 0.00 46.19 44.48 1q3b s LEU 55 CO 0.01 -0.35 0.73 -0.89 0.23 0.00 0.00 176.35 176.08 1q3b s THR 56 N 1.09 4.71 0.01 5.49 2.01 0.68 -0.66 115.64 128.98 1q3b s THR 56 Ca 0.02 -0.16 -0.24 0.00 0.31 0.00 0.00 61.69 61.62 1q3b s THR 56 Cb -0.20 -4.36 -0.05 0.00 0.01 0.00 0.00 72.50 67.90 1q3b s THR 56 CO -0.05 -0.87 0.74 -1.00 -0.69 0.00 0.00 174.62 172.76 1q3b s HIS 57 N 3.08 3.69 0.16 4.92 3.76 -0.36 -0.42 115.29 130.12 1q3b s HIS 57 Ca 0.21 1.40 0.06 0.00 -0.15 0.00 0.00 55.06 56.59 1q3b s HIS 57 Cb -0.16 -2.81 -0.04 0.00 1.11 0.00 0.00 32.58 30.67 1q3b s HIS 57 CO 0.15 0.22 0.02 -0.06 -0.85 0.00 0.00 174.74 174.22 1q3b s PHE 58 N 0.21 2.92 -1.20 1.40 0.08 -0.58 -0.56 117.98 120.26 1q3b s PHE 58 Ca 0.38 -0.10 0.06 0.00 0.12 0.00 0.00 56.93 57.40 1q3b s PHE 58 Cb -0.20 -1.43 0.29 0.00 -0.57 0.00 0.00 43.02 41.11 1q3b s PHE 58 CO 0.21 0.51 1.13 -1.13 -0.10 0.00 0.00 175.22 175.84 1q3b n SER 59 N -0.03 0.00 -1.63 1.36 3.41 0.40 -1.74 113.62 115.39 1q3b n SER 59 Ca -0.10 0.36 0.09 0.00 -0.26 0.00 0.00 58.87 58.96 1q3b n SER 59 Cb 0.54 -0.40 0.37 0.00 -0.26 0.00 0.00 64.21 64.46 1q3b n SER 59 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1q3b n ASN 60 N -1.40 4.94 0.00 4.04 6.94 -1.26 -4.94 115.26 123.58 1q3b n ASN 60 Ca 0.02 -2.55 0.00 0.00 -0.02 0.00 0.00 54.58 52.03 1q3b n ASN 60 Cb 0.06 -0.60 0.00 0.00 -2.36 0.00 0.00 39.78 36.88 1q3b n ASN 60 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1q3b n ASP 61 N 0.99 0.00 -4.84 0.53 8.00 -0.71 -5.03 116.55 115.49 1q3b n ASP 61 Ca 0.26 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.44 1q3b n ASP 61 Cb 0.95 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 42.03 1q3b n ASP 61 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1q3b s LEU 62 N 0.00 3.56 -0.05 0.64 1.43 -1.26 -3.99 118.68 119.02 1q3b s LEU 62 Ca 0.00 1.57 -0.01 0.00 -1.03 0.00 0.00 54.13 54.67 1q3b s LEU 62 Cb 0.00 -4.51 0.03 0.00 0.03 0.00 0.00 46.19 41.74 1q3b s LEU 62 CO 0.00 -0.67 0.00 -0.89 0.23 0.00 0.00 176.35 175.02 1q3b s THR 63 N -2.68 0.27 -0.25 5.49 2.01 0.16 -1.53 115.64 119.12 1q3b s THR 63 Ca 0.59 0.13 -0.22 0.00 0.31 0.00 0.00 61.69 62.50 1q3b s THR 63 Cb -0.11 -0.42 -0.01 0.00 0.01 0.00 0.00 72.50 71.97 1q3b s THR 63 CO 0.35 0.22 0.70 -0.22 -0.69 0.00 0.00 174.62 174.98 1q3b s LEU 64 N 1.64 4.07 -0.16 4.42 2.96 0.45 0.21 118.68 132.27 1q3b s LEU 64 Ca -0.01 0.83 -0.11 0.00 -0.22 0.00 0.00 54.13 54.62 1q3b s LEU 64 Cb -0.13 -2.98 -0.05 0.00 0.50 0.00 0.00 46.19 43.54 1q3b s LEU 64 CO -0.03 -0.43 0.20 -0.47 -1.32 0.00 0.00 176.35 174.30 1q3b s TYR 65 N 2.63 3.49 -0.10 5.38 6.14 0.99 -0.23 117.35 135.65 1q3b s TYR 65 Ca 0.29 0.50 -0.06 0.00 0.64 0.00 0.00 57.07 58.45 1q3b s TYR 65 Cb -0.15 -2.18 0.04 0.00 0.42 0.00 0.00 41.96 40.08 1q3b s TYR 65 CO 0.08 0.39 0.23 -1.54 0.64 0.00 0.00 175.55 175.35 1q3b s SER 66 N 0.02 -0.24 -0.23 4.32 1.04 -0.55 -1.31 113.70 116.75 1q3b s SER 66 Ca 0.13 0.48 0.00 0.00 0.48 0.00 0.00 55.95 57.04 1q3b s SER 66 Cb -0.12 0.40 0.06 0.00 0.10 0.00 0.00 66.02 66.46 1q3b s SER 66 CO 0.02 -0.14 -0.03 -2.28 0.98 0.00 0.00 173.24 171.79 1q3b s HIS 67 N 0.95 2.19 0.56 5.02 5.04 -0.61 -0.63 115.29 127.80 1q3b s HIS 67 Ca -0.07 -1.64 0.24 0.00 -1.54 0.00 0.00 55.06 52.05 1q3b s HIS 67 Cb -0.08 -1.53 1.52 0.00 0.04 0.00 0.00 32.58 32.54 1q3b s HIS 67 CO -0.06 -0.76 2.13 -0.91 -2.34 0.00 0.00 174.74 172.81 1q3b h ASN 68 N 8.00 0.00 0.00 9.88 -0.26 -1.87 -3.37 115.58 127.96 1q3b h ASN 68 Ca -0.17 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.57 1q3b h ASN 68 Cb 1.08 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.34 1q3b h ASN 68 CO 0.40 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 176.77 1q3b n GLN 69 N -4.15 0.00 0.14 0.81 1.13 -1.26 -1.03 117.38 113.02 1q3b n GLN 69 Ca 0.00 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.82 1q3b n GLN 69 Cb 0.24 0.00 -0.16 0.00 0.11 0.00 0.00 30.24 30.43 1q3b n GLN 69 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1q3b h LEU 70 N 0.00 0.81 0.00 1.08 3.38 -2.00 -3.42 115.31 115.17 1q3b h LEU 70 Ca 0.00 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.06 1q3b h LEU 70 Cb 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1q3b h LEU 70 CO 0.00 1.72 -0.24 -1.22 0.09 0.00 0.00 178.44 178.79 1q3b n TYR 71 N -3.70 0.00 -1.82 1.13 4.01 -1.12 -5.05 117.16 110.61 1q3b n TYR 71 Ca -0.18 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.16 1q3b n TYR 71 Cb 1.10 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 40.14 1q3b n TYR 71 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1q3b s GLY 72 N -1.48 2.93 -0.19 2.72 0.00 -0.20 -4.63 107.32 106.47 1q3b s GLY 72 Ca 0.02 1.47 -0.14 0.00 0.00 0.00 0.00 44.72 46.07 1q3b s GLY 72 CO 0.21 2.10 0.48 0.54 0.00 0.00 0.00 173.10 176.43 1q3b s VAL 73 N -1.19 -0.01 -0.09 1.40 0.11 -0.99 -4.82 120.40 114.82 1q3b s VAL 73 Ca 0.59 0.04 -0.11 0.00 -2.93 0.00 0.00 61.98 59.57 1q3b s VAL 73 Cb -0.44 -0.69 -0.05 0.00 -1.53 0.00 0.00 36.38 33.67 1q3b s VAL 73 CO 0.57 0.01 0.25 0.26 -3.33 0.00 0.00 175.10 172.87 1q3b s TRP 74 N 0.87 3.62 -0.03 1.54 0.52 -1.26 -1.56 118.94 122.63 1q3b s TRP 74 Ca -0.05 0.69 0.02 0.00 0.02 0.00 0.00 56.10 56.78 1q3b s TRP 74 Cb -0.06 -2.13 0.01 0.00 -1.15 0.00 0.00 33.47 30.15 1q3b s TRP 74 CO -0.07 0.61 -0.07 1.03 0.02 0.00 0.00 176.95 178.47 1q3b s ARG 75 N -0.77 0.90 -0.22 4.98 0.52 0.18 -4.95 118.95 119.60 1q3b s ARG 75 Ca 0.18 -0.23 -0.12 0.00 -0.52 0.00 0.00 55.73 55.03 1q3b s ARG 75 Cb -0.14 -0.85 -0.05 0.00 0.52 0.00 0.00 34.95 34.43 1q3b s ARG 75 CO 0.07 0.05 0.23 0.08 0.02 0.00 0.00 175.30 175.75 1q3b s VAL 76 N 0.42 5.32 0.34 3.52 1.01 -1.26 -1.00 120.40 128.75 1q3b s VAL 76 Ca -0.06 0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.31 1q3b s VAL 76 Cb -0.10 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1q3b s VAL 76 CO 0.01 0.34 0.13 0.68 0.00 0.00 0.00 175.10 176.26 1q3b s VAL 77 N 0.97 0.55 0.21 2.92 -7.23 0.09 -5.00 120.40 112.92 1q3b s VAL 77 Ca 0.11 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.06 1q3b s VAL 77 Cb -0.13 -2.50 -0.08 0.00 0.56 0.00 0.00 36.38 34.22 1q3b s VAL 77 CO 0.04 0.00 0.76 -1.81 -0.31 0.00 0.00 175.10 173.78 1q3b s ASP 78 N -3.47 7.19 0.18 4.85 1.01 -1.26 -1.43 116.67 123.73 1q3b s ASP 78 Ca 0.32 1.53 -0.33 0.00 0.71 0.00 0.00 52.55 54.77 1q3b s ASP 78 Cb 0.05 -2.46 -0.14 0.00 1.01 0.00 0.00 42.92 41.38 1q3b s ASP 78 CO 0.16 0.08 1.55 0.41 0.21 0.00 0.00 175.17 177.59 1q3b n THR 79 N 0.99 0.19 0.00 -1.27 -1.04 0.15 -1.24 114.28 112.06 1q3b n THR 79 Ca -0.03 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1q3b n THR 79 Cb 0.50 -1.55 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 1q3b n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1q3b n GLY 80 N 3.19 2.53 3.75 3.41 0.00 -1.26 -5.01 105.19 111.80 1q3b n GLY 80 Ca 0.16 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1q3b n GLY 80 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1q3b s GLU 81 N 0.00 3.05 -0.42 1.61 2.12 -0.37 -5.01 118.70 119.68 1q3b s GLU 81 Ca 0.00 2.19 0.02 0.00 0.36 0.00 0.00 54.97 57.54 1q3b s GLU 81 Cb 0.00 -2.19 0.13 0.00 0.26 0.00 0.00 34.13 32.33 1q3b s GLU 81 CO 0.00 -1.25 0.22 -1.21 -0.54 0.00 0.00 175.26 172.48 1q3b s GLU 82 N -2.99 1.24 0.73 4.30 2.02 -1.26 -4.93 118.70 117.82 1q3b s GLU 82 Ca 0.73 -1.91 -0.16 0.00 0.02 0.00 0.00 54.97 53.66 1q3b s GLU 82 Cb -0.40 -2.34 -0.04 0.00 0.10 0.00 0.00 34.13 31.45 1q3b s GLU 82 CO 0.46 -1.13 0.43 -2.30 0.02 0.00 0.00 175.26 172.74 1q3b n PRO 83 N 3.71 0.24 -1.00 0.39 -0.02 -1.26 -4.91 135.00 132.15 1q3b n PRO 83 Ca 0.07 0.12 -0.12 0.00 -2.02 0.00 0.00 63.50 61.55 1q3b n PRO 83 Cb 0.35 -1.75 0.21 0.00 -0.02 0.00 0.00 33.50 32.29 1q3b n PRO 83 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1q3b n GLN 84 N -0.54 2.30 -2.78 -0.52 1.13 -1.26 -4.97 117.38 110.74 1q3b n GLN 84 Ca 0.09 -3.08 -0.35 0.00 -1.94 0.00 0.00 57.00 51.72 1q3b n GLN 84 Cb 0.50 -2.02 -0.07 0.00 0.11 0.00 0.00 30.24 28.76 1q3b n GLN 84 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1q3b s THR 85 N -3.22 4.26 -1.92 5.09 -1.32 -1.26 -4.95 115.64 112.33 1q3b s THR 85 Ca 0.51 1.61 0.28 0.00 -1.21 0.00 0.00 61.69 62.88 1q3b s THR 85 Cb 0.44 -3.77 0.45 0.00 -1.51 0.00 0.00 72.50 68.11 1q3b s THR 85 CO 0.07 -0.11 1.76 0.35 -2.21 0.00 0.00 174.62 174.48 1q3b n THR 86 N -0.12 0.00 -1.58 5.08 -2.24 -1.26 -4.92 114.28 109.24 1q3b n THR 86 Ca 0.05 -0.12 -0.36 0.00 -2.27 0.00 0.00 64.05 61.34 1q3b n THR 86 Cb 0.52 0.18 0.08 0.00 -2.10 0.00 0.00 70.33 69.01 1q3b n THR 86 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1q3b n ARG 87 N -0.58 0.87 -2.93 -0.78 1.74 -1.26 -4.95 116.66 108.76 1q3b n ARG 87 Ca 0.16 0.35 -0.40 0.00 -0.77 0.00 0.00 57.85 57.18 1q3b n ARG 87 Cb 0.31 -2.42 -0.04 0.00 -1.02 0.00 0.00 32.46 29.28 1q3b n ARG 87 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1q3b s VAL 88 N -1.56 4.99 0.09 1.55 1.01 -1.26 -4.88 120.40 120.33 1q3b s VAL 88 Ca 0.79 1.65 -0.30 0.00 0.00 0.00 0.00 61.98 64.12 1q3b s VAL 88 Cb -0.37 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 31.82 1q3b s VAL 88 CO 0.44 0.22 1.06 -0.22 0.00 0.00 0.00 175.10 176.60 1q3b s LEU 89 N 0.88 4.43 -0.04 3.92 2.96 -1.26 -0.20 118.68 129.36 1q3b s LEU 89 Ca 0.42 1.88 0.03 0.00 -0.22 0.00 0.00 54.13 56.24 1q3b s LEU 89 Cb -0.19 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 1q3b s LEU 89 CO 0.21 -0.25 0.00 0.54 -1.32 0.00 0.00 176.35 175.53 1q3b n ARG 90 N 3.26 2.68 -3.79 1.98 5.12 0.77 -4.69 116.66 121.98 1q3b n ARG 90 Ca 0.05 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.85 1q3b n ARG 90 Cb 0.48 -1.10 -0.12 0.00 -1.16 0.00 0.00 32.46 30.56 1q3b n ARG 90 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1q3b s VAL 91 N -2.09 -0.01 -0.14 1.55 1.01 -1.06 -0.96 120.40 118.71 1q3b s VAL 91 Ca -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 1q3b s VAL 91 Cb 0.01 -0.29 0.04 0.00 0.00 0.00 0.00 36.38 36.14 1q3b s VAL 91 CO 0.15 0.02 -0.02 -0.75 0.00 0.00 0.00 175.10 174.49 1q3b s LYS 92 N 0.39 1.05 -0.31 2.72 2.20 0.37 -1.06 119.74 125.10 1q3b s LYS 92 Ca -0.02 -0.29 -0.01 0.00 -0.36 0.00 0.00 55.97 55.29 1q3b s LYS 92 Cb -0.04 -1.68 0.06 0.00 -1.51 0.00 0.00 37.83 34.66 1q3b s LYS 92 CO -0.02 -0.42 0.02 -0.51 -0.36 0.00 0.00 175.35 174.06 1q3b s LEU 93 N 1.79 4.04 -0.11 5.43 1.43 -0.72 -0.92 118.68 129.61 1q3b s LEU 93 Ca 0.02 -1.39 -0.01 0.00 -1.03 0.00 0.00 54.13 51.72 1q3b s LEU 93 Cb -0.14 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 1q3b s LEU 93 CO -0.07 -0.29 -0.06 -1.58 0.23 0.00 0.00 176.35 174.58 1q3b s GLN 94 N 1.22 3.21 0.52 1.70 0.74 0.17 -1.43 119.66 125.79 1q3b s GLN 94 Ca -0.03 -0.54 0.00 0.00 0.05 0.00 0.00 55.36 54.84 1q3b s GLN 94 Cb -0.20 -2.74 -0.00 0.00 1.10 0.00 0.00 33.01 31.17 1q3b s GLN 94 CO -0.02 0.45 0.00 0.95 -0.55 0.00 0.00 175.29 176.12 1q3b s THR 95 N -0.22 1.07 0.21 -0.34 -4.23 -0.12 0.20 115.64 112.21 1q3b s THR 95 Ca 0.03 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.46 1q3b s THR 95 Cb -0.13 -2.06 0.16 0.00 1.34 0.00 0.00 72.50 71.81 1q3b s THR 95 CO 0.03 0.00 1.74 0.00 -0.54 0.00 0.00 174.62 175.85 1q3b h ALA 96 N 1.30 0.83 0.00 3.99 0.00 -1.96 -3.36 119.26 120.06 1q3b h ALA 96 Ca -0.44 0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.33 1q3b h ALA 96 Cb 1.32 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 1q3b h ALA 96 CO 0.73 -0.18 -1.82 -0.40 0.00 0.00 0.00 179.25 177.58 1q3b n ASP 97 N -4.99 2.41 -4.71 0.00 5.75 -1.26 -4.69 116.55 109.06 1q3b n ASP 97 Ca 0.10 -0.01 -0.32 0.00 -0.01 0.00 0.00 54.79 54.55 1q3b n ASP 97 Cb 0.29 -0.28 -0.08 0.00 -1.03 0.00 0.00 41.12 40.02 1q3b n ASP 97 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1q3b s LYS 98 N -2.28 2.79 -0.03 0.11 -0.14 -1.26 0.32 119.74 119.25 1q3b s LYS 98 Ca -0.20 -0.66 0.02 0.00 -1.36 0.00 0.00 55.97 53.77 1q3b s LYS 98 Cb 0.06 -2.68 0.01 0.00 -1.68 0.00 0.00 37.83 33.54 1q3b s LYS 98 CO 0.31 0.60 -0.06 0.99 -0.76 0.00 0.00 175.35 176.43 1q3b s THR 99 N -1.21 0.54 -0.07 2.17 2.01 -0.51 -0.95 115.64 117.62 1q3b s THR 99 Ca 0.23 -0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.06 1q3b s THR 99 Cb -0.12 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.85 1q3b s THR 99 CO 0.15 0.19 -0.11 0.27 -0.69 0.00 0.00 174.62 174.43 1q3b s ILE 100 N 0.45 3.33 -0.04 1.82 -4.36 -0.52 -0.73 121.20 121.15 1q3b s ILE 100 Ca -0.06 -0.61 0.04 0.00 -0.26 0.00 0.00 60.65 59.76 1q3b s ILE 100 Cb -0.10 -2.34 -0.00 0.00 1.25 0.00 0.00 42.46 41.27 1q3b s ILE 100 CO 0.00 0.58 -0.17 -0.76 0.24 0.00 0.00 174.94 174.83 1q3b s LEU 101 N -0.59 1.92 -0.23 0.37 1.43 -0.17 -1.76 118.68 119.65 1q3b s LEU 101 Ca 0.08 -0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 52.78 1q3b s LEU 101 Cb -0.11 -0.95 -0.02 0.00 0.03 0.00 0.00 46.19 45.13 1q3b s LEU 101 CO 0.02 0.16 0.03 -0.22 0.23 0.00 0.00 176.35 176.56 1q3b s LEU 102 N 0.01 3.29 0.13 1.79 2.96 -0.22 -0.65 118.68 125.99 1q3b s LEU 102 Ca -0.03 -0.24 0.07 0.00 -0.22 0.00 0.00 54.13 53.71 1q3b s LEU 102 Cb -0.11 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1q3b s LEU 102 CO 0.02 -0.00 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.70 1q3b s TYR 103 N 1.40 2.84 0.00 5.38 2.02 -0.60 -0.17 117.35 128.22 1q3b s TYR 103 Ca 0.05 -0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.63 1q3b s TYR 103 Cb -0.15 -1.44 0.00 0.00 -0.40 0.00 0.00 41.96 39.98 1q3b s TYR 103 CO 0.02 0.48 0.00 0.43 -1.57 0.00 0.00 175.55 174.90 1q3b n SER 104 N 0.36 0.00 -4.56 2.29 7.64 0.72 -2.34 113.62 117.72 1q3b n SER 104 Ca -0.11 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.37 1q3b n SER 104 Cb 0.53 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.76 1q3b n SER 104 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q3b n ALA 105 N 0.00 -0.28 -0.04 -0.43 0.00 -1.26 -4.66 120.51 113.85 1q3b n ALA 105 Ca 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 53.44 53.49 1q3b n ALA 105 Cb 0.00 -2.00 -0.05 0.00 0.00 0.00 0.00 19.45 17.39 1q3b n ALA 105 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1q3b n SER 106 N 0.14 3.30 -4.56 0.00 7.64 -1.26 -4.86 113.62 114.02 1q3b n SER 106 Ca 0.12 -0.01 -0.42 0.00 1.01 0.00 0.00 58.87 59.57 1q3b n SER 106 Cb 0.44 0.45 -0.02 0.00 -1.01 0.00 0.00 64.21 64.07 1q3b n SER 106 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1q3b s ASP 107 N -4.12 6.58 -0.05 6.43 1.11 -1.26 -4.92 116.67 120.44 1q3b s ASP 107 Ca -0.06 -1.69 -0.01 0.00 0.18 0.00 0.00 52.55 50.98 1q3b s ASP 107 Cb 0.02 -2.57 0.03 0.00 1.07 0.00 0.00 42.92 41.47 1q3b s ASP 107 CO 0.26 -1.42 0.00 -0.63 1.18 0.00 0.00 175.17 174.56 1q3b s ILE 108 N 4.73 0.27 0.01 0.77 1.01 -1.26 -1.57 121.20 125.16 1q3b s ILE 108 Ca 0.47 0.13 -0.13 0.00 0.00 0.00 0.00 60.65 61.12 1q3b s ILE 108 Cb 0.01 -0.41 0.02 0.00 0.01 0.00 0.00 42.46 42.09 1q3b s ILE 108 CO -0.06 0.21 0.29 -1.83 0.00 0.00 0.00 174.94 173.55 1q3b s GLU 109 N 1.61 0.72 -0.23 2.79 -1.05 -0.43 -4.99 118.70 117.11 1q3b s GLU 109 Ca -0.01 -0.37 -0.10 0.00 -0.15 0.00 0.00 54.97 54.34 1q3b s GLU 109 Cb -0.13 0.31 -0.05 0.00 -0.44 0.00 0.00 34.13 33.82 1q3b s GLU 109 CO -0.03 -0.21 0.15 1.41 0.95 0.00 0.00 175.26 177.52 1q3b s MET 110 N -1.94 4.08 -0.01 -4.83 -2.45 -1.26 -0.01 119.30 112.89 1q3b s MET 110 Ca -0.09 -0.27 0.07 0.00 -1.25 0.00 0.00 55.69 54.15 1q3b s MET 110 Cb -0.03 -3.49 -0.02 0.00 1.25 0.00 0.00 34.83 32.54 1q3b s MET 110 CO 0.00 0.12 -0.23 -0.51 1.05 0.00 0.00 175.02 175.46 1q3b s LEU 111 N 0.88 2.26 0.54 4.11 1.43 0.13 -4.95 118.68 123.07 1q3b s LEU 111 Ca 0.07 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1q3b s LEU 111 Cb -0.13 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 1q3b s LEU 111 CO 0.03 0.31 0.84 -0.13 0.23 0.00 0.00 176.35 177.63 1q3b s ARG 112 N -0.79 3.18 0.29 1.70 0.52 -1.26 -0.67 118.95 121.91 1q3b s ARG 112 Ca 0.11 0.03 0.03 0.00 -0.52 0.00 0.00 55.73 55.38 1q3b s ARG 112 Cb -0.10 -2.34 0.66 0.00 0.52 0.00 0.00 34.95 33.70 1q3b s ARG 112 CO 0.00 -0.47 1.75 -1.35 0.02 0.00 0.00 175.30 175.26 1q3b h PRO 113 N 0.03 0.62 0.00 3.54 0.11 -1.97 -0.61 132.00 133.72 1q3b h PRO 113 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1q3b h PRO 113 Cb 1.24 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1q3b h PRO 113 CO 0.61 0.41 0.00 1.05 -0.21 0.00 0.00 178.00 179.86 1q3b h GLU 114 N 0.64 0.00 0.00 1.05 9.09 -1.95 -2.90 114.58 120.50 1q3b h GLU 114 Ca 0.53 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.94 1q3b h GLU 114 Cb 0.85 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.95 1q3b h GLU 114 CO -0.40 0.00 -0.42 1.96 0.05 0.00 0.00 179.01 180.20 1q3b h GLN 115 N 0.00 0.00 -0.53 1.06 4.20 -1.48 -3.32 115.11 115.05 1q3b h GLN 115 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1q3b h GLN 115 Cb 0.50 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 1q3b h GLN 115 CO 0.00 0.00 0.20 -0.07 -0.67 0.00 0.00 178.83 178.29 1q3b h LEU 116 N 0.00 0.74 -1.54 1.46 3.38 -1.44 -2.33 115.31 115.58 1q3b h LEU 116 Ca 0.00 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1q3b h LEU 116 Cb 0.84 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1q3b h LEU 116 CO 0.00 0.72 -0.24 0.00 0.09 0.00 0.00 178.44 179.01 1q3b h THR 117 N 0.71 1.02 -0.08 0.22 1.03 -1.72 -3.08 112.91 111.00 1q3b h THR 117 Ca 0.17 -0.87 0.00 0.00 -0.01 0.00 0.00 66.41 65.70 1q3b h THR 117 Cb 0.22 1.49 0.00 0.00 -1.07 0.00 0.00 68.15 68.79 1q3b h THR 117 CO -0.01 0.24 0.00 0.35 -0.01 0.00 0.00 175.52 176.08 1q3b n THR 118 N -4.02 0.07 -2.33 0.00 -2.24 -1.11 -4.73 114.28 99.92 1q3b n THR 118 Ca -0.02 -0.54 -0.42 0.00 -2.27 0.00 0.00 64.05 60.80 1q3b n THR 118 Cb 0.31 1.42 -0.03 0.00 -2.10 0.00 0.00 70.33 69.94 1q3b n THR 118 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1q3b s HIS 119 N -1.91 2.90 0.20 4.78 5.04 -0.89 -4.93 115.29 120.46 1q3b s HIS 119 Ca 0.29 0.94 -0.21 0.00 -1.54 0.00 0.00 55.06 54.54 1q3b s HIS 119 Cb 0.20 -3.57 0.13 0.00 0.04 0.00 0.00 32.58 29.39 1q3b s HIS 119 CO 0.30 -2.01 1.57 -1.35 -2.34 0.00 0.00 174.74 170.91 1q3b h PRO 120 N 7.92 -0.11 -0.09 2.88 0.11 -1.92 0.03 132.00 140.82 1q3b h PRO 120 Ca -0.34 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 1q3b h PRO 120 Cb 1.16 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1q3b h PRO 120 CO 0.91 -0.07 0.01 0.35 -0.21 0.00 0.00 178.00 178.99 1q3b h PHE 121 N -0.11 0.17 -0.20 0.65 3.57 -1.98 -3.13 116.94 115.91 1q3b h PHE 121 Ca 0.25 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1q3b h PHE 121 Cb 0.56 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1q3b h PHE 121 CO -0.76 0.37 0.13 -0.07 -2.23 0.00 0.00 178.31 175.76 1q3b h LEU 122 N -0.08 0.23 -1.36 0.59 3.38 -1.68 -0.84 115.31 115.54 1q3b h LEU 122 Ca 0.03 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1q3b h LEU 122 Cb 0.30 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1q3b h LEU 122 CO 0.00 0.16 -0.32 1.56 0.09 0.00 0.00 178.44 179.94 1q3b h GLN 123 N 0.27 0.00 0.00 1.13 4.20 -0.96 -3.09 115.11 116.66 1q3b h GLN 123 Ca 0.07 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.60 1q3b h GLN 123 Cb -0.02 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1q3b h GLN 123 CO -0.02 0.32 -0.87 -0.09 -0.67 0.00 0.00 178.83 177.51 1q3b h ARG 124 N 0.00 0.00 -3.86 1.46 2.43 -1.12 -3.44 114.38 109.85 1q3b h ARG 124 Ca -0.00 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.65 1q3b h ARG 124 Cb 0.58 0.00 -0.39 0.00 -0.42 0.00 0.00 29.97 29.74 1q3b h ARG 124 CO 0.04 0.87 -0.78 0.08 -1.51 0.00 0.00 179.97 178.67 1q3b s VAL 125 N -2.81 0.75 0.87 0.20 1.01 -1.11 -3.38 120.40 115.93 1q3b s VAL 125 Ca 0.02 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 1q3b s VAL 125 Cb 0.10 -1.03 0.20 0.00 0.00 0.00 0.00 36.38 35.64 1q3b s VAL 125 CO 0.80 0.05 1.18 0.61 0.00 0.00 0.00 175.10 177.75 1q3b n GLY 126 N 4.99 -1.05 3.72 4.51 0.00 0.19 -4.73 105.19 112.83 1q3b n GLY 126 Ca -0.10 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 1q3b n GLY 126 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1q3b s PRO 127 N -5.56 1.98 0.03 1.61 0.02 -1.26 -4.04 135.00 127.78 1q3b s PRO 127 Ca 0.69 1.65 -0.19 0.00 0.02 0.00 0.00 61.00 63.17 1q3b s PRO 127 Cb -0.02 -1.83 -0.06 0.00 0.02 0.00 0.00 34.50 32.61 1q3b s PRO 127 CO 0.48 -1.93 0.56 0.34 -0.33 0.00 0.00 177.00 176.12 1q3b s ASP 128 N -2.29 6.99 0.55 2.53 -1.08 -1.26 -0.51 116.67 121.60 1q3b s ASP 128 Ca 0.71 1.18 0.36 0.00 -0.52 0.00 0.00 52.55 54.28 1q3b s ASP 128 Cb -0.26 -2.35 1.71 0.00 -1.46 0.00 0.00 42.92 40.55 1q3b s ASP 128 CO 0.48 0.20 2.08 -0.37 0.52 0.00 0.00 175.17 178.08 1q3b h VAL 129 N 3.83 0.00 -0.01 1.11 -1.51 -1.43 -1.87 116.25 116.37 1q3b h VAL 129 Ca -0.48 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 1q3b h VAL 129 Cb 1.21 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 1q3b h VAL 129 CO 0.66 0.00 -0.24 0.18 -1.23 0.00 0.00 177.57 176.94 1q3b n LEU 130 N -2.93 0.97 -4.65 4.19 4.32 -1.26 -4.79 117.00 112.84 1q3b n LEU 130 Ca -0.01 -0.24 -0.43 0.00 -0.02 0.00 0.00 56.01 55.32 1q3b n LEU 130 Cb 0.19 -0.13 -0.02 0.00 -1.62 0.00 0.00 43.42 41.84 1q3b n LEU 130 CO 0.22 0.18 1.20 -0.62 -1.22 0.00 0.00 177.39 177.16 1q3b s ASP 131 N -2.50 6.76 0.55 -1.43 -1.08 -0.71 -4.89 116.67 113.38 1q3b s ASP 131 Ca 0.25 1.74 0.25 0.00 -0.52 0.00 0.00 52.55 54.27 1q3b s ASP 131 Cb 0.19 -2.54 1.47 0.00 -1.46 0.00 0.00 42.92 40.59 1q3b s ASP 131 CO 0.52 -0.91 2.05 1.55 0.52 0.00 0.00 175.17 178.89 1q3b h PRO 132 N 9.03 0.00 -0.02 4.34 0.13 -1.88 -1.19 132.00 142.41 1q3b h PRO 132 Ca -0.30 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.69 1q3b h PRO 132 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1q3b h PRO 132 CO 0.98 0.00 -0.62 -0.91 -0.23 0.00 0.00 178.00 177.22 1q3b h ASN 133 N 0.00 0.10 -2.60 1.44 2.35 -1.94 -3.43 115.58 111.50 1q3b h ASN 133 Ca 0.16 -0.06 -0.54 0.00 -0.55 0.00 0.00 56.30 55.31 1q3b h ASN 133 Cb 0.70 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 39.04 1q3b h ASN 133 CO -0.00 0.69 1.08 -0.22 -1.65 0.00 0.00 177.43 177.33 1q3b s LEU 134 N -7.71 4.35 0.28 1.61 2.96 -0.45 -4.98 118.68 114.74 1q3b s LEU 134 Ca -0.02 2.38 0.10 0.00 -0.22 0.00 0.00 54.13 56.37 1q3b s LEU 134 Cb 0.12 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.23 1q3b s LEU 134 CO 0.78 -0.93 -0.02 0.42 -1.32 0.00 0.00 176.35 175.27 1q3b s THR 135 N 3.67 3.24 0.43 3.68 -4.23 -1.26 -4.94 115.64 116.23 1q3b s THR 135 Ca 0.76 -1.98 0.12 0.00 -1.18 0.00 0.00 61.69 59.42 1q3b s THR 135 Cb -0.37 -2.77 0.31 0.00 1.34 0.00 0.00 72.50 71.01 1q3b s THR 135 CO 0.32 -0.36 2.01 -0.65 -0.54 0.00 0.00 174.62 175.41 1q3b h PRO 136 N 1.92 0.41 -0.73 3.99 0.11 -1.94 -0.93 132.00 134.83 1q3b h PRO 136 Ca -0.43 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 1q3b h PRO 136 Cb 1.25 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1q3b h PRO 136 CO 0.61 0.27 0.22 0.93 -0.21 0.00 0.00 178.00 179.82 1q3b h GLU 137 N 0.42 1.14 -0.48 1.05 3.07 -1.95 -0.37 114.58 117.47 1q3b h GLU 137 Ca 0.23 -0.25 -0.11 0.00 -0.50 0.00 0.00 59.36 58.73 1q3b h GLU 137 Cb 0.35 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1q3b h GLU 137 CO -0.06 0.98 -0.14 0.28 -1.40 0.00 0.00 179.01 178.67 1q3b h VAL 138 N 1.09 1.27 -0.48 3.13 2.07 -1.61 -2.60 116.25 119.11 1q3b h VAL 138 Ca 0.23 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1q3b h VAL 138 Cb 0.32 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1q3b h VAL 138 CO -0.01 0.44 0.30 0.58 0.02 0.00 0.00 177.57 178.91 1q3b h VAL 139 N 0.79 1.14 -0.38 2.57 2.07 -0.87 -1.74 116.25 119.83 1q3b h VAL 139 Ca 0.12 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1q3b h VAL 139 Cb 0.70 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1q3b h VAL 139 CO 0.05 0.14 0.17 0.11 0.02 0.00 0.00 177.57 178.06 1q3b h LYS 140 N 0.65 0.53 -0.21 1.57 1.57 -0.99 -0.25 116.57 119.43 1q3b h LYS 140 Ca 0.17 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1q3b h LYS 140 Cb -0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1q3b h LYS 140 CO -0.03 0.42 0.03 1.49 -0.57 0.00 0.00 179.45 180.79 1q3b h GLU 141 N 0.53 0.35 -0.69 3.15 4.81 -0.99 -0.90 114.58 120.83 1q3b h GLU 141 Ca 0.13 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1q3b h GLU 141 Cb 0.08 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1q3b h GLU 141 CO -0.02 0.51 0.24 0.00 -0.73 0.00 0.00 179.01 179.02 1q3b h ARG 142 N 0.14 1.05 -0.97 1.92 3.08 -0.83 0.37 114.38 119.14 1q3b h ARG 142 Ca 0.06 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 59.92 1q3b h ARG 142 Cb 0.33 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 1q3b h ARG 142 CO 0.01 0.89 0.64 -0.07 -1.07 0.00 0.00 179.97 180.37 1q3b h LEU 143 N 1.00 1.10 0.00 3.04 3.38 -0.89 -2.53 115.31 120.40 1q3b h LEU 143 Ca 0.23 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1q3b h LEU 143 Cb 0.26 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1q3b h LEU 143 CO -0.01 0.78 -0.54 -0.07 0.09 0.00 0.00 178.44 178.69 1q3b h LEU 144 N 1.29 0.00 -9.54 1.67 3.38 -0.71 -2.02 115.31 109.37 1q3b h LEU 144 Ca 0.36 -0.04 -0.59 0.00 0.09 0.00 0.00 57.88 57.69 1q3b h LEU 144 Cb -0.12 0.00 0.12 0.00 0.09 0.00 0.00 40.66 40.76 1q3b h LEU 144 CO -0.09 0.02 0.11 -1.54 0.09 0.00 0.00 178.44 177.03 1q3b n SER 145 N -2.66 1.14 -0.10 -0.43 3.41 0.13 -4.43 113.62 110.67 1q3b n SER 145 Ca 0.02 1.09 0.26 0.00 -0.26 0.00 0.00 58.87 59.99 1q3b n SER 145 Cb 0.51 -1.31 0.71 0.00 -0.26 0.00 0.00 64.21 63.87 1q3b n SER 145 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1q3b h PRO 146 N 1.71 0.00 0.00 4.33 0.13 -1.90 0.06 132.00 136.34 1q3b h PRO 146 Ca -0.42 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.62 1q3b h PRO 146 Cb 1.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1q3b h PRO 146 CO 0.58 0.00 -0.45 -0.09 -0.23 0.00 0.00 178.00 177.81 1q3b h ARG 147 N 0.00 0.00 0.00 0.86 2.43 -1.89 -3.38 114.38 112.40 1q3b h ARG 147 Ca 0.36 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.51 1q3b h ARG 147 Cb 1.64 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.19 1q3b h ARG 147 CO -0.00 0.45 -1.09 1.19 -1.51 0.00 0.00 179.97 179.00 1q3b n PHE 148 N -3.93 0.00 0.29 2.20 3.72 -0.33 -4.76 117.46 114.65 1q3b n PHE 148 Ca -0.01 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.43 1q3b n PHE 148 Cb 0.48 -0.07 0.19 0.00 -0.94 0.00 0.00 39.48 39.14 1q3b n PHE 148 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1q3b h ARG 149 N 0.00 0.00 -0.15 -1.08 0.11 -0.27 0.15 114.38 113.13 1q3b h ARG 149 Ca -0.03 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.02 1q3b h ARG 149 Cb 1.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.06 1q3b h ARG 149 CO 0.00 0.00 -0.05 -1.71 0.10 0.00 0.00 179.97 178.31 1q3b n ASN 150 N -2.63 2.93 -4.81 0.08 5.15 -1.26 -1.55 115.26 113.17 1q3b n ASN 150 Ca 0.01 -3.23 -0.36 0.00 -0.60 0.00 0.00 54.58 50.40 1q3b n ASN 150 Cb 0.91 -0.51 -0.07 0.00 -0.53 0.00 0.00 39.78 39.58 1q3b n ASN 150 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1q3b s ARG 151 N -2.95 3.38 0.30 1.20 1.81 0.53 -5.01 118.95 118.21 1q3b s ARG 151 Ca 0.38 -0.22 -0.29 0.00 -1.72 0.00 0.00 55.73 53.88 1q3b s ARG 151 Cb 0.33 -3.09 -0.10 0.00 -0.45 0.00 0.00 34.95 31.64 1q3b s ARG 151 CO 0.04 0.71 1.23 -0.65 -0.68 0.00 0.00 175.30 175.95 1q3b s GLN 152 N -0.85 4.46 0.49 3.54 -0.21 -1.26 -4.38 119.66 121.46 1q3b s GLN 152 Ca 0.14 2.05 0.14 0.00 0.02 0.00 0.00 55.36 57.71 1q3b s GLN 152 Cb -0.12 -3.13 1.17 0.00 1.00 0.00 0.00 33.01 31.94 1q3b s GLN 152 CO 0.03 -0.05 2.13 0.74 -2.12 0.00 0.00 175.29 176.02 1q3b h PHE 153 N 3.75 0.12 -0.71 0.91 0.04 -0.94 -1.22 116.94 118.90 1q3b h PHE 153 Ca -0.48 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.40 1q3b h PHE 153 Cb 1.22 -0.04 -0.07 0.00 2.20 0.00 0.00 35.95 39.25 1q3b h PHE 153 CO 0.58 0.08 0.33 0.00 -0.60 0.00 0.00 178.31 178.70 1q3b h ALA 154 N 1.94 0.97 0.11 2.45 0.00 -1.43 -1.13 119.26 122.17 1q3b h ALA 154 Ca 0.04 0.07 -0.35 0.00 0.00 0.00 0.00 54.91 54.66 1q3b h ALA 154 Cb -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1q3b h ALA 154 CO -0.01 -0.08 -1.90 0.78 0.00 0.00 0.00 179.25 178.03 1q3b h GLY 155 N 0.56 0.27 0.67 0.00 0.00 -1.76 -3.38 103.07 99.43 1q3b h GLY 155 Ca 0.35 -0.70 0.07 0.00 0.00 0.00 0.00 47.33 47.06 1q3b h GLY 155 CO -0.29 0.61 0.52 -2.00 0.00 0.00 0.00 176.54 175.38 1q3b h LEU 156 N 0.07 0.80 0.00 3.11 5.85 -1.09 -0.89 115.31 123.15 1q3b h LEU 156 Ca -0.39 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1q3b h LEU 156 Cb 2.04 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.93 1q3b h LEU 156 CO 0.10 0.50 0.00 0.18 -0.34 0.00 0.00 178.44 178.88 1q3b n LEU 157 N -4.65 0.00 -0.13 2.25 4.32 -0.44 -1.76 117.00 116.58 1q3b n LEU 157 Ca 0.13 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 56.13 1q3b n LEU 157 Cb 0.20 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.02 1q3b n LEU 157 CO 0.30 0.00 0.34 0.18 -1.22 0.00 0.00 177.39 176.99 1q3b n LEU 158 N -0.93 1.42 -4.48 2.23 4.77 -0.37 -4.45 117.00 115.19 1q3b n LEU 158 Ca 0.14 -1.16 -0.41 0.00 -0.03 0.00 0.00 56.01 54.54 1q3b n LEU 158 Cb 0.06 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.04 1q3b n LEU 158 CO 0.11 0.33 -0.11 -0.62 -1.33 0.00 0.00 177.39 175.76 1q3b s ASP 159 N -0.38 6.01 0.62 -1.43 -1.08 -0.72 -4.95 116.67 114.73 1q3b s ASP 159 Ca 0.04 -0.70 0.40 0.00 -0.52 0.00 0.00 52.55 51.78 1q3b s ASP 159 Cb 0.03 -2.13 2.18 0.00 -1.46 0.00 0.00 42.92 41.54 1q3b s ASP 159 CO 0.04 -0.34 2.23 0.06 0.52 0.00 0.00 175.17 177.68 1q3b h GLN 160 N 8.53 0.00 -0.27 4.34 3.07 -1.86 -1.37 115.11 127.56 1q3b h GLN 160 Ca -0.29 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.38 1q3b h GLN 160 Cb 1.13 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.68 1q3b h GLN 160 CO 0.68 0.00 -0.13 0.00 0.09 0.00 0.00 178.83 179.47 1q3b h ALA 161 N 1.92 1.28 0.09 0.06 0.00 -1.84 0.58 119.26 121.35 1q3b h ALA 161 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1q3b h ALA 161 Cb 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1q3b h ALA 161 CO 0.00 0.48 -0.04 0.35 0.00 0.00 0.00 179.25 180.03 1q3b h PHE 162 N 0.42 -0.12 -3.36 0.00 3.57 -1.54 -2.84 116.94 113.07 1q3b h PHE 162 Ca 0.08 -0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.38 1q3b h PHE 162 Cb 0.48 0.04 -0.27 0.00 2.79 0.00 0.00 35.95 38.99 1q3b h PHE 162 CO 0.01 -0.07 -0.56 -0.51 -2.23 0.00 0.00 178.31 174.96 1q3b s LEU 163 N -6.45 1.34 0.22 0.59 1.43 -1.19 -4.21 118.68 110.41 1q3b s LEU 163 Ca -0.02 0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1q3b s LEU 163 Cb 0.00 0.48 -0.05 0.00 0.03 0.00 0.00 46.19 46.66 1q3b s LEU 163 CO 0.05 -0.06 0.44 0.00 0.23 0.00 0.00 176.35 177.01 1q3b s ALA 164 N 0.23 3.76 0.00 4.21 0.00 0.33 -4.16 121.76 126.14 1q3b s ALA 164 Ca -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1q3b s ALA 164 Cb -0.02 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 21.00 1q3b s ALA 164 CO -0.01 0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.55 1q3b n GLY 165 N -0.70 0.72 3.96 0.00 0.00 -1.26 -1.05 105.19 106.86 1q3b n GLY 165 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 1q3b n GLY 165 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q3b s LEU 166 N 0.00 4.31 0.18 0.99 1.43 -1.26 -4.88 118.68 119.45 1q3b s LEU 166 Ca 0.00 0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 53.07 1q3b s LEU 166 Cb 0.00 -2.90 0.02 0.00 0.03 0.00 0.00 46.19 43.34 1q3b s LEU 166 CO 0.00 -0.05 0.44 -0.83 0.23 0.00 0.00 176.35 176.14 1q3b s GLY 167 N -3.76 0.03 0.19 -3.19 0.00 -1.26 -4.99 107.32 94.34 1q3b s GLY 167 Ca 0.34 -0.38 -0.16 0.00 0.00 0.00 0.00 44.72 44.53 1q3b s GLY 167 CO 0.29 -0.43 1.64 -0.57 0.00 0.00 0.00 173.10 174.03 1q3b h ASN 168 N 2.32 -0.59 -0.80 1.64 -1.24 -1.98 0.17 115.58 115.10 1q3b h ASN 168 Ca -0.30 0.17 0.15 0.00 0.71 0.00 0.00 56.30 57.02 1q3b h ASN 168 Cb 1.25 0.36 -0.06 0.00 0.73 0.00 0.00 38.32 40.60 1q3b h ASN 168 CO 0.42 -0.20 0.53 0.10 -1.29 0.00 0.00 177.43 176.99 1q3b h TYR 169 N -0.04 0.59 0.24 0.67 -0.00 -1.97 -1.01 116.97 115.45 1q3b h TYR 169 Ca 0.25 0.02 -0.32 0.00 -0.00 0.00 0.00 58.73 58.67 1q3b h TYR 169 Cb 0.42 -0.18 0.04 0.00 -0.00 0.00 0.00 36.73 37.00 1q3b h TYR 169 CO -0.46 0.22 -1.42 -0.07 -0.00 0.00 0.00 178.16 176.43 1q3b h LEU 170 N 0.50 0.80 -0.48 0.10 3.38 -1.48 -3.28 115.31 114.85 1q3b h LEU 170 Ca 0.40 -0.92 0.10 0.00 0.09 0.00 0.00 57.88 57.54 1q3b h LEU 170 Cb 0.83 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 41.23 1q3b h LEU 170 CO -0.15 1.68 -0.06 -0.09 0.09 0.00 0.00 178.44 179.91 1q3b h ARG 171 N 0.08 0.05 -0.20 1.13 2.43 0.54 -0.83 114.38 117.59 1q3b h ARG 171 Ca -0.25 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.82 1q3b h ARG 171 Cb 2.11 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.63 1q3b h ARG 171 CO 0.26 0.03 -0.31 -0.39 -1.51 0.00 0.00 179.97 178.05 1q3b h VAL 172 N 0.05 1.28 -0.32 0.20 -1.51 -1.49 -2.51 116.25 111.95 1q3b h VAL 172 Ca 0.24 -1.35 -0.17 0.00 -1.23 0.00 0.00 66.70 64.19 1q3b h VAL 172 Cb 0.36 1.47 -0.00 0.00 -2.13 0.00 0.00 31.29 30.99 1q3b h VAL 172 CO -0.45 0.42 -0.46 -0.33 -1.23 0.00 0.00 177.57 175.52 1q3b h GLU 173 N 0.34 0.88 -0.34 5.19 4.39 -1.47 -2.45 114.58 121.11 1q3b h GLU 173 Ca 0.04 -0.52 -0.00 0.00 0.34 0.00 0.00 59.36 59.23 1q3b h GLU 173 Cb 0.72 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 1q3b h GLU 173 CO 0.06 1.16 0.21 0.82 -1.16 0.00 0.00 179.01 180.09 1q3b h ILE 174 N 0.67 1.12 -0.26 3.13 2.04 -1.02 -1.36 117.51 121.82 1q3b h ILE 174 Ca 0.03 -0.27 -0.11 0.00 1.00 0.00 0.00 64.86 65.51 1q3b h ILE 174 Cb 1.06 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1q3b h ILE 174 CO 0.11 0.12 -0.30 -0.07 0.00 0.00 0.00 178.15 178.00 1q3b h LEU 175 N 0.45 0.55 -0.69 1.44 3.38 -1.46 -2.74 115.31 116.23 1q3b h LEU 175 Ca 0.12 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1q3b h LEU 175 Cb 0.01 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1q3b h LEU 175 CO -0.02 0.82 0.14 -0.25 0.09 0.00 0.00 178.44 179.22 1q3b h TRP 176 N 0.46 1.19 -0.60 1.13 7.01 -1.21 -0.91 115.95 123.02 1q3b h TRP 176 Ca 0.06 -0.16 0.07 0.00 2.11 0.00 0.00 58.89 60.97 1q3b h TRP 176 Cb 0.76 -0.33 -0.04 0.00 -2.10 0.00 0.00 29.16 27.45 1q3b h TRP 176 CO 0.03 0.98 0.40 0.37 -2.79 0.00 0.00 178.44 177.43 1q3b h GLN 177 N 1.06 0.52 -0.46 2.65 4.15 -0.94 -2.20 115.11 119.89 1q3b h GLN 177 Ca 0.21 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1q3b h GLN 177 Cb 0.42 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.99 1q3b h GLN 177 CO 0.01 0.34 0.00 1.33 -1.93 0.00 0.00 178.83 178.58 1q3b n VAL 178 N -4.48 0.74 -2.26 2.39 0.24 -1.06 -4.98 118.33 108.93 1q3b n VAL 178 Ca 0.09 -0.87 -0.12 0.00 -2.04 0.00 0.00 64.34 61.40 1q3b n VAL 178 Cb 0.27 0.74 -0.00 0.00 -1.47 0.00 0.00 33.84 33.37 1q3b n VAL 178 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q3b n GLY 179 N 1.24 -0.13 3.56 7.63 0.00 -0.68 -5.02 105.19 111.80 1q3b n GLY 179 Ca 0.18 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1q3b n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q3b s LEU 180 N -3.54 3.01 0.43 0.99 1.43 -0.44 -1.70 118.68 118.86 1q3b s LEU 180 Ca 0.01 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1q3b s LEU 180 Cb -0.01 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 1q3b s LEU 180 CO 0.01 0.23 0.67 0.42 0.23 0.00 0.00 176.35 177.92 1q3b s THR 181 N -1.08 4.55 -1.48 5.49 -4.23 -1.26 -4.45 115.64 113.17 1q3b s THR 181 Ca 0.19 -0.29 0.11 0.00 -1.18 0.00 0.00 61.69 60.51 1q3b s THR 181 Cb -0.11 -3.69 0.20 0.00 1.34 0.00 0.00 72.50 70.24 1q3b s THR 181 CO 0.10 -0.54 1.24 0.61 -0.54 0.00 0.00 174.62 175.49 1q3b n GLY 182 N -2.06 -0.62 0.02 3.99 0.00 -1.26 -3.13 105.19 102.12 1q3b n GLY 182 Ca -0.01 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.09 1q3b n GLY 182 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1q3b n ASN 183 N -1.26 0.34 -4.79 1.61 6.94 -1.26 -1.14 115.26 115.70 1q3b n ASN 183 Ca 0.06 -0.03 -0.31 0.00 -0.02 0.00 0.00 54.58 54.28 1q3b n ASN 183 Cb 0.08 -0.04 0.08 0.00 -2.36 0.00 0.00 39.78 37.55 1q3b n ASN 183 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1q3b s HIS 184 N -2.95 2.78 0.09 -2.53 3.76 -1.18 -4.74 115.29 110.51 1q3b s HIS 184 Ca 0.14 1.40 0.05 0.00 -0.15 0.00 0.00 55.06 56.50 1q3b s HIS 184 Cb 0.18 -3.01 -0.03 0.00 1.11 0.00 0.00 32.58 30.83 1q3b s HIS 184 CO 0.62 -1.67 -0.14 0.15 -0.85 0.00 0.00 174.74 172.85 1q3b s LYS 185 N -5.00 0.88 0.57 1.40 1.02 -1.26 -1.33 119.74 116.02 1q3b s LYS 185 Ca 0.60 -1.06 0.26 0.00 0.02 0.00 0.00 55.97 55.79 1q3b s LYS 185 Cb -0.16 -0.82 1.62 0.00 -0.52 0.00 0.00 37.83 37.96 1q3b s LYS 185 CO 0.55 0.17 2.18 0.00 -0.92 0.00 0.00 175.35 177.33 1q3b h ALA 186 N 3.98 1.77 0.00 5.17 0.00 -1.75 -2.04 119.26 126.38 1q3b h ALA 186 Ca -0.40 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1q3b h ALA 186 Cb 1.19 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1q3b h ALA 186 CO 0.45 -0.10 -0.16 1.57 0.00 0.00 0.00 179.25 181.00 1q3b h LYS 187 N 0.00 0.00 -0.02 0.00 2.10 -1.58 -3.05 116.57 114.02 1q3b h LYS 187 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 1q3b h LYS 187 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1q3b h LYS 187 CO -0.00 0.16 -0.04 -0.40 -2.00 0.00 0.00 179.45 177.17 1q3b n ASP 188 N -3.33 2.03 -4.88 7.07 5.68 -0.77 -4.94 116.55 117.41 1q3b n ASP 188 Ca 0.00 -1.63 -0.30 0.00 -0.50 0.00 0.00 54.79 52.36 1q3b n ASP 188 Cb 0.39 0.03 -0.04 0.00 -1.14 0.00 0.00 41.12 40.37 1q3b n ASP 188 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1q3b s LEU 189 N -2.06 3.96 0.54 -2.12 1.43 -1.16 -5.03 118.68 114.24 1q3b s LEU 189 Ca 0.32 0.98 -0.02 0.00 -1.03 0.00 0.00 54.13 54.39 1q3b s LEU 189 Cb 0.20 -3.82 0.02 0.00 0.03 0.00 0.00 46.19 42.62 1q3b s LEU 189 CO 0.35 -0.29 0.79 0.54 0.23 0.00 0.00 176.35 177.97 1q3b s ASN 190 N -3.02 5.52 0.29 2.29 2.20 -1.26 -4.85 114.94 116.11 1q3b s ASN 190 Ca 0.49 0.32 0.04 0.00 -0.94 0.00 0.00 52.86 52.76 1q3b s ASN 190 Cb -0.10 -1.35 0.69 0.00 -2.00 0.00 0.00 41.25 38.49 1q3b s ASN 190 CO 0.29 -1.00 1.74 0.00 -2.94 0.00 0.00 177.10 175.19 1q3b h ALA 191 N 0.07 1.49 -0.13 3.54 0.00 -1.98 -1.06 119.26 121.19 1q3b h ALA 191 Ca -0.45 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1q3b h ALA 191 Cb 1.27 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1q3b h ALA 191 CO 0.57 -0.19 0.06 0.00 0.00 0.00 0.00 179.25 179.69 1q3b h ALA 192 N 1.65 0.17 -0.34 0.00 0.00 -2.00 -1.81 119.26 116.93 1q3b h ALA 192 Ca 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 1q3b h ALA 192 Cb 0.92 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1q3b h ALA 192 CO -0.44 -0.25 0.18 1.96 0.00 0.00 0.00 179.25 180.70 1q3b h GLN 193 N 0.07 0.48 -0.23 0.00 4.20 -1.74 -1.07 115.11 116.82 1q3b h GLN 193 Ca 0.04 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.74 1q3b h GLN 193 Cb 0.15 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 1q3b h GLN 193 CO -0.00 0.40 -0.02 1.25 -0.67 0.00 0.00 178.83 179.78 1q3b h LEU 194 N 0.43 -0.14 -0.59 1.46 5.85 -1.14 0.18 115.31 121.36 1q3b h LEU 194 Ca 0.12 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1q3b h LEU 194 Cb 0.07 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1q3b h LEU 194 CO -0.02 -0.04 0.32 -0.78 -0.34 0.00 0.00 178.44 177.58 1q3b h ASP 195 N 0.04 0.75 -0.36 1.25 3.58 -1.19 0.52 116.42 121.00 1q3b h ASP 195 Ca 0.11 -0.10 0.03 0.00 0.42 0.00 0.00 57.03 57.49 1q3b h ASP 195 Cb 0.15 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 1q3b h ASP 195 CO -0.20 0.64 0.17 0.00 -2.88 0.00 0.00 179.24 176.97 1q3b h ALA 196 N 1.14 0.44 -0.43 -0.78 0.00 -0.51 -1.60 119.26 117.52 1q3b h ALA 196 Ca 0.21 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1q3b h ALA 196 Cb 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1q3b h ALA 196 CO -0.03 -0.20 -0.11 1.25 0.00 0.00 0.00 179.25 180.16 1q3b h LEU 197 N 0.36 0.76 -0.92 0.00 5.85 -0.35 -2.25 115.31 118.76 1q3b h LEU 197 Ca 0.15 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 1q3b h LEU 197 Cb 0.07 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1q3b h LEU 197 CO -0.12 0.90 0.14 0.00 -0.34 0.00 0.00 178.44 179.02 1q3b h ALA 198 N 1.18 1.12 -0.16 1.25 0.00 -0.39 -1.44 119.26 120.82 1q3b h ALA 198 Ca 0.12 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 1q3b h ALA 198 Cb 0.59 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1q3b h ALA 198 CO 0.04 0.59 -0.70 0.45 0.00 0.00 0.00 179.25 179.63 1q3b h HIS 199 N 0.90 0.90 -0.53 0.00 3.86 -1.17 -3.21 115.15 115.90 1q3b h HIS 199 Ca 0.19 -0.37 -0.06 0.00 -1.16 0.00 0.00 60.37 58.97 1q3b h HIS 199 Cb 0.32 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 1q3b h HIS 199 CO 0.02 1.17 0.09 0.00 0.86 0.00 0.00 177.93 180.08 1q3b h ALA 200 N 0.73 1.17 -0.03 2.45 0.00 -1.15 0.14 119.26 122.56 1q3b h ALA 200 Ca -0.03 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1q3b h ALA 200 Cb 1.30 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1q3b h ALA 200 CO 0.14 0.56 0.04 -0.07 0.00 0.00 0.00 179.25 179.91 1q3b h LEU 201 N 0.80 0.00 0.00 0.00 3.38 -1.27 -2.62 115.31 115.60 1q3b h LEU 201 Ca 0.17 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.78 1q3b h LEU 201 Cb 0.34 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 1q3b h LEU 201 CO 0.00 0.00 -2.22 0.18 0.09 0.00 0.00 178.44 176.49 1q3b n LEU 202 N -3.82 1.99 -0.10 1.67 4.77 -0.89 -4.41 117.00 116.21 1q3b n LEU 202 Ca -0.02 0.16 -0.08 0.00 -0.03 0.00 0.00 56.01 56.03 1q3b n LEU 202 Cb 0.13 -0.67 -0.00 0.00 -2.33 0.00 0.00 43.42 40.54 1q3b n LEU 202 CO 0.27 0.58 0.99 -0.33 -1.33 0.00 0.00 177.39 177.57 1q3b h GLU 203 N -0.56 0.40 -0.30 3.23 5.08 -0.77 -2.02 114.58 119.64 1q3b h GLU 203 Ca -0.53 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.77 1q3b h GLU 203 Cb 1.56 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.71 1q3b h GLU 203 CO -0.26 0.26 0.06 0.82 -1.00 0.00 0.00 179.01 178.89 1q3b h ILE 204 N 0.41 1.23 -0.65 3.13 2.04 -1.68 0.83 117.51 122.81 1q3b h ILE 204 Ca 0.13 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 1q3b h ILE 204 Cb 0.00 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1q3b h ILE 204 CO -0.06 0.26 0.22 -0.65 0.00 0.00 0.00 178.15 177.92 1q3b h PRO 205 N 0.32 1.00 -0.28 2.37 0.11 -1.74 -1.34 132.00 132.44 1q3b h PRO 205 Ca 0.09 -0.20 -0.12 0.00 0.11 0.00 0.00 66.00 65.87 1q3b h PRO 205 Cb 0.33 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 1q3b h PRO 205 CO 0.00 0.86 -0.34 0.00 -0.21 0.00 0.00 178.00 178.32 1q3b h ARG 206 N 0.94 0.60 -0.42 1.05 3.08 -1.29 -1.48 114.38 116.86 1q3b h ARG 206 Ca 0.21 -0.28 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 1q3b h ARG 206 Cb 0.26 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1q3b h ARG 206 CO -0.01 0.86 -0.11 0.35 -1.07 0.00 0.00 179.97 179.99 1q3b h PHE 207 N 0.51 0.92 -0.28 3.04 3.57 -0.64 -0.97 116.94 123.08 1q3b h PHE 207 Ca 0.06 -0.20 -0.04 0.00 3.53 0.00 0.00 57.97 61.32 1q3b h PHE 207 Cb 0.83 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1q3b h PHE 207 CO 0.03 0.94 0.03 1.03 -2.23 0.00 0.00 178.31 178.12 1q3b h SER 208 N 0.64 0.46 -0.11 0.41 0.87 -1.14 -2.82 113.55 111.86 1q3b h SER 208 Ca 0.11 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 1q3b h SER 208 Cb 0.65 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1q3b h SER 208 CO 0.04 0.62 0.03 0.22 -0.53 0.00 0.00 176.83 177.22 1q3b h TYR 209 N 0.29 0.18 0.00 2.24 3.20 -1.21 -2.86 116.97 118.81 1q3b h TYR 209 Ca 0.08 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 1q3b h TYR 209 Cb 0.37 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 1q3b h TYR 209 CO 0.03 0.33 -0.15 0.00 -1.64 0.00 0.00 178.16 176.73 1q3b h ALA 210 N 0.83 1.36 -0.25 1.82 0.00 -1.21 -3.20 119.26 118.61 1q3b h ALA 210 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1q3b h ALA 210 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1q3b h ALA 210 CO -0.00 0.18 0.00 0.25 0.00 0.00 0.00 179.25 179.68 1q3b n THR 211 N -3.79 0.55 -2.06 0.00 -2.24 -1.07 -4.99 114.28 100.68 1q3b n THR 211 Ca -0.02 -0.78 -0.42 0.00 -2.27 0.00 0.00 64.05 60.57 1q3b n THR 211 Cb 0.25 0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 69.31 1q3b n THR 211 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1q3b s ARG 212 N -1.08 4.27 0.48 -0.78 3.03 -1.08 -4.62 118.95 119.17 1q3b s ARG 212 Ca 0.24 2.21 -0.02 0.00 2.03 0.00 0.00 55.73 60.19 1q3b s ARG 212 Cb 0.14 -3.19 0.10 0.00 -1.03 0.00 0.00 34.95 30.96 1q3b s ARG 212 CO 0.19 -0.50 0.66 0.41 -1.13 0.00 0.00 175.30 174.92 1q3b n GLY 213 N 3.47 0.23 3.55 3.88 0.00 -1.26 -5.09 105.19 109.97 1q3b n GLY 213 Ca 0.12 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 1q3b n GLY 213 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q3b s GLN 214 N -4.21 -1.25 0.23 1.61 -0.21 -1.26 -4.95 119.66 109.62 1q3b s GLN 214 Ca 0.42 0.10 -0.30 0.00 0.02 0.00 0.00 55.36 55.60 1q3b s GLN 214 Cb -0.02 -1.58 -0.09 0.00 1.00 0.00 0.00 33.01 32.32 1q3b s GLN 214 CO 0.28 -3.76 1.30 0.14 -2.12 0.00 0.00 175.29 171.13 1q3b s VAL 215 N -2.86 3.11 -0.05 1.09 -7.23 -1.26 -3.13 120.40 110.08 1q3b s VAL 215 Ca 0.70 0.96 0.00 0.00 -1.81 0.00 0.00 61.98 61.83 1q3b s VAL 215 Cb -0.12 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.20 1q3b s VAL 215 CO 0.57 0.17 0.00 0.47 -0.31 0.00 0.00 175.10 176.00 1q3b n ASP 216 N 2.19 -5.07 0.04 4.85 8.00 -1.26 -4.85 116.55 120.46 1q3b n ASP 216 Ca 0.05 0.01 -0.01 0.00 0.71 0.00 0.00 54.79 55.55 1q3b n ASP 216 Cb 0.43 -2.61 0.27 0.00 -0.02 0.00 0.00 41.12 39.19 1q3b n ASP 216 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1q3b h GLU 217 N 0.30 0.42 0.00 -1.24 4.81 -1.89 -2.69 114.58 114.28 1q3b h GLU 217 Ca -0.01 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1q3b h GLU 217 Cb 0.70 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1q3b h GLU 217 CO 0.01 0.58 0.37 -2.95 -0.73 0.00 0.00 179.01 176.30 1q3b h ASN 218 N 0.38 0.00 0.59 1.04 7.08 -1.82 -0.34 115.58 122.50 1q3b h ASN 218 Ca 0.07 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.25 1q3b h ASN 218 Cb 0.52 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.76 1q3b h ASN 218 CO 0.03 0.00 -0.17 0.11 -2.08 0.00 0.00 177.43 175.32 1q3b h LYS 219 N 0.00 0.00 0.00 4.14 1.57 -1.89 -3.29 116.57 117.11 1q3b h LYS 219 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1q3b h LYS 219 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1q3b h LYS 219 CO 0.00 0.17 0.00 -2.39 -0.57 0.00 0.00 179.45 176.66 1q3b n HIS 220 N -3.54 0.00 -3.68 -1.35 1.44 -0.25 -5.05 115.22 102.80 1q3b n HIS 220 Ca -0.01 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.60 1q3b n HIS 220 Cb 0.32 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.32 1q3b n HIS 220 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1q3b s HIS 221 N -0.28 -0.64 0.23 -1.40 5.65 -0.55 -5.14 115.29 113.16 1q3b s HIS 221 Ca 0.00 1.30 -0.29 0.00 0.25 0.00 0.00 55.06 56.32 1q3b s HIS 221 Cb 0.00 0.23 -0.09 0.00 -1.18 0.00 0.00 32.58 31.54 1q3b s HIS 221 CO 0.00 -0.39 0.91 0.20 -0.65 0.00 0.00 174.74 174.81 1q3b s GLY 222 N 1.99 3.06 0.73 1.59 0.00 -1.26 -3.61 107.32 109.81 1q3b s GLY 222 Ca -0.05 0.57 -0.14 0.00 0.00 0.00 0.00 44.72 45.10 1q3b s GLY 222 CO -0.12 1.11 1.13 0.00 0.00 0.00 0.00 173.10 175.23 1q3b s ALA 223 N -1.21 2.24 0.28 3.20 0.00 -1.26 -4.94 121.76 120.07 1q3b s ALA 223 Ca 0.41 0.57 0.05 0.00 0.00 0.00 0.00 51.96 52.99 1q3b s ALA 223 Cb -0.25 -3.36 0.42 0.00 0.00 0.00 0.00 23.12 19.93 1q3b s ALA 223 CO 0.30 -1.67 1.69 1.25 0.00 0.00 0.00 175.76 177.33 1q3b h LEU 224 N -0.48 0.33 -8.89 0.00 5.85 -1.96 -3.40 115.31 106.76 1q3b h LEU 224 Ca -0.46 -0.13 -0.62 0.00 0.84 0.00 0.00 57.88 57.50 1q3b h LEU 224 Cb 1.26 -0.09 -0.13 0.00 0.37 0.00 0.00 40.66 42.06 1q3b h LEU 224 CO 0.51 0.69 0.05 0.12 -0.34 0.00 0.00 178.44 179.47 1q3b s PHE 225 N -4.22 3.22 -0.08 1.25 5.36 -1.26 -5.06 117.98 117.20 1q3b s PHE 225 Ca -0.05 0.51 0.03 0.00 -0.96 0.00 0.00 56.93 56.46 1q3b s PHE 225 Cb 0.13 -2.89 -0.02 0.00 -0.34 0.00 0.00 43.02 39.91 1q3b s PHE 225 CO 0.78 -0.43 -0.17 1.03 -1.46 0.00 0.00 175.22 174.98 1q3b s ARG 226 N 2.47 2.78 0.35 10.12 1.81 -1.26 -5.10 118.95 130.11 1q3b s ARG 226 Ca 0.22 -0.75 -0.28 0.00 -1.72 0.00 0.00 55.73 53.21 1q3b s ARG 226 Cb -0.15 -2.39 -0.10 0.00 -0.45 0.00 0.00 34.95 31.86 1q3b s ARG 226 CO 0.11 0.44 1.25 -0.06 -0.68 0.00 0.00 175.30 176.36 1q3b s PHE 227 N -0.25 3.09 -0.22 -0.53 0.08 -1.26 -4.96 117.98 113.93 1q3b s PHE 227 Ca 0.01 1.48 0.13 0.00 0.12 0.00 0.00 56.93 58.67 1q3b s PHE 227 Cb -0.13 -3.57 -0.22 0.00 -0.57 0.00 0.00 43.02 38.53 1q3b s PHE 227 CO 0.03 -1.61 -0.03 1.63 -0.10 0.00 0.00 175.22 175.14 1q3b n LYS 228 N 0.61 0.69 0.00 0.44 4.76 -1.26 -4.81 118.16 118.58 1q3b n LYS 228 Ca 0.01 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1q3b n LYS 228 Cb 0.43 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 1q3b n LYS 228 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1q3b n VAL 229 N -2.92 0.00 -1.83 -0.18 0.24 -1.26 -4.80 118.33 107.58 1q3b n VAL 229 Ca -0.37 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.51 1q3b n VAL 229 Cb 1.10 -0.11 -0.03 0.00 -1.47 0.00 0.00 33.84 33.33 1q3b n VAL 229 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1q3b s PHE 230 N -1.06 2.54 -1.86 6.34 5.36 -1.26 -1.74 117.98 126.30 1q3b s PHE 230 Ca 0.00 0.27 0.00 0.00 -0.96 0.00 0.00 56.93 56.24 1q3b s PHE 230 Cb 0.00 -4.06 0.00 0.00 -0.34 0.00 0.00 43.02 38.62 1q3b s PHE 230 CO 0.00 -4.18 0.00 0.72 -1.46 0.00 0.00 175.22 170.30 1q3b n HIS 231 N 5.02 -0.34 -0.53 10.12 8.25 -1.26 -4.82 115.22 131.67 1q3b n HIS 231 Ca 0.16 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.68 1q3b n HIS 231 Cb 0.38 -3.26 0.17 0.00 1.12 0.00 0.00 29.99 28.40 1q3b n HIS 231 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1q3b n ARG 232 N -2.36 2.75 -1.68 -0.41 1.74 -0.71 -5.02 116.66 110.97 1q3b n ARG 232 Ca -0.19 -2.30 -0.46 0.00 -0.77 0.00 0.00 57.85 54.13 1q3b n ARG 232 Cb 0.61 -1.45 -0.04 0.00 -1.02 0.00 0.00 32.46 30.56 1q3b n ARG 232 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1q3b n ASP 233 N -0.18 3.31 0.00 0.55 5.75 -1.26 -0.52 116.55 124.20 1q3b n ASP 233 Ca 0.14 1.06 0.00 0.00 -0.01 0.00 0.00 54.79 55.98 1q3b n ASP 233 Cb 0.59 -1.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.23 1q3b n ASP 233 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q3b n GLY 234 N 3.66 0.02 3.88 6.12 0.00 -0.27 -4.96 105.19 113.64 1q3b n GLY 234 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1q3b n GLY 234 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q3b s GLU 235 N -0.98 3.17 0.31 1.61 0.41 0.32 -4.82 118.70 118.73 1q3b s GLU 235 Ca 0.00 -0.79 -0.25 0.00 -0.41 0.00 0.00 54.97 53.52 1q3b s GLU 235 Cb 0.00 -2.78 -0.10 0.00 -1.78 0.00 0.00 34.13 29.47 1q3b s GLU 235 CO 0.00 0.48 0.92 -1.25 -0.49 0.00 0.00 175.26 174.92 1q3b s PRO 236 N -3.39 4.55 0.24 0.39 0.04 -1.26 0.09 135.00 135.66 1q3b s PRO 236 Ca 0.33 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.35 1q3b s PRO 236 Cb -0.10 -2.81 -0.10 0.00 0.04 0.00 0.00 34.50 31.53 1q3b s PRO 236 CO 0.26 0.29 1.48 0.00 0.04 0.00 0.00 177.00 179.08 1q3b h GLU 238 N 5.26 0.00 0.00 0.00 4.11 -1.90 -0.03 114.58 122.02 1q3b h GLU 238 Ca -0.46 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.86 1q3b h GLU 238 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1q3b h GLU 238 CO 0.80 0.00 -0.97 -2.13 0.07 0.00 0.00 179.01 176.78 1q3b n ARG 239 N -2.41 0.51 0.00 1.06 0.63 -1.26 -4.74 116.66 110.45 1q3b n ARG 239 Ca 0.01 0.50 0.05 0.00 -0.92 0.00 0.00 57.85 57.49 1q3b n ARG 239 Cb 0.21 -1.68 -0.03 0.00 0.45 0.00 0.00 32.46 31.41 1q3b n ARG 239 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1q3b n GLY 241 N 1.08 1.67 3.74 0.00 0.00 -0.03 -4.95 105.19 106.70 1q3b n GLY 241 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1q3b n GLY 241 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q3b s SER 242 N -3.30 4.48 -0.20 1.61 0.01 -1.26 -4.15 113.70 110.88 1q3b s SER 242 Ca 0.00 2.10 -0.29 0.00 1.31 0.00 0.00 55.95 59.07 1q3b s SER 242 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1q3b s SER 242 CO 0.00 -2.06 1.01 -0.63 0.41 0.00 0.00 173.24 171.97 1q3b s ILE 243 N -2.36 4.72 0.30 1.44 -1.09 -1.26 0.11 121.20 123.06 1q3b s ILE 243 Ca 0.68 1.99 -0.30 0.00 -2.23 0.00 0.00 60.65 60.79 1q3b s ILE 243 Cb -0.23 -4.29 -0.12 0.00 -1.58 0.00 0.00 42.46 36.24 1q3b s ILE 243 CO 0.47 -0.12 1.58 -0.38 -1.23 0.00 0.00 174.94 175.26 1q3b n ILE 244 N 5.11 1.12 -4.24 2.92 2.08 0.11 -4.53 119.36 121.93 1q3b n ILE 244 Ca 0.11 -0.28 -0.27 0.00 0.56 0.00 0.00 62.75 62.87 1q3b n ILE 244 Cb 0.47 -1.95 -0.09 0.00 -0.75 0.00 0.00 39.64 37.32 1q3b n ILE 244 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1q3b s GLU 245 N -0.66 2.24 0.02 0.38 2.02 0.38 -1.12 118.70 121.96 1q3b s GLU 245 Ca 0.63 -1.17 0.06 0.00 0.02 0.00 0.00 54.97 54.51 1q3b s GLU 245 Cb -0.50 -2.27 -0.02 0.00 0.10 0.00 0.00 34.13 31.44 1q3b s GLU 245 CO 0.50 0.45 -0.17 0.21 0.02 0.00 0.00 175.26 176.27 1q3b s LYS 246 N -2.84 1.25 0.83 1.61 2.20 -1.26 -1.49 119.74 120.03 1q3b s LYS 246 Ca 0.26 -0.77 -0.11 0.00 -0.36 0.00 0.00 55.97 54.98 1q3b s LYS 246 Cb -0.09 -1.28 0.12 0.00 -1.51 0.00 0.00 37.83 35.06 1q3b s LYS 246 CO 0.17 0.33 1.18 0.95 -0.36 0.00 0.00 175.35 177.62 1q3b s THR 247 N -0.68 2.06 0.00 3.43 -4.23 -0.92 -5.00 115.64 110.30 1q3b s THR 247 Ca 0.05 -0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.48 1q3b s THR 247 Cb -0.08 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.79 1q3b s THR 247 CO 0.01 0.00 0.00 0.35 -0.54 0.00 0.00 174.62 174.44 1q3b n THR 248 N -3.35 0.00 1.15 3.99 -2.24 -1.26 -4.80 114.28 107.77 1q3b n THR 248 Ca 0.11 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.95 1q3b n THR 248 Cb 0.60 -0.68 0.36 0.00 -2.10 0.00 0.00 70.33 68.51 1q3b n THR 248 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1q3b n LEU 249 N -2.08 0.00 -3.96 3.22 4.32 -1.26 -5.15 117.00 112.10 1q3b n LEU 249 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.74 1q3b n LEU 249 Cb 0.44 0.00 -0.17 0.00 -1.62 0.00 0.00 43.42 42.07 1q3b n LEU 249 CO 0.00 0.00 -0.45 -2.84 -1.22 0.00 0.00 177.39 172.88 1q3b s PRO 253 N -2.00 1.48 -0.09 3.23 0.02 -1.26 -5.29 135.00 131.08 1q3b s PRO 253 Ca 0.18 -0.30 -0.30 0.00 0.02 0.00 0.00 61.00 60.61 1q3b s PRO 253 Cb 0.08 -1.37 -0.02 0.00 0.02 0.00 0.00 34.50 33.21 1q3b s PRO 253 CO 0.14 -0.10 1.05 0.12 -0.33 0.00 0.00 177.00 177.88 1q3b s PHE 254 N 1.10 3.45 -0.10 6.54 5.36 -1.26 -4.92 117.98 128.14 1q3b s PHE 254 Ca -0.07 1.52 -0.00 0.00 -0.96 0.00 0.00 56.93 57.41 1q3b s PHE 254 Cb -0.14 -3.24 -0.03 0.00 -0.34 0.00 0.00 43.02 39.27 1q3b s PHE 254 CO -0.01 -0.45 -0.08 0.71 -1.46 0.00 0.00 175.22 173.92 1q3b s TYR 255 N 2.05 2.91 0.08 10.12 1.51 -1.26 -2.17 117.35 130.60 1q3b s TYR 255 Ca 0.50 -0.23 -0.26 0.00 -1.01 0.00 0.00 57.07 56.07 1q3b s TYR 255 Cb -0.20 -1.80 0.08 0.00 -0.11 0.00 0.00 41.96 39.93 1q3b s TYR 255 CO 0.19 0.10 0.81 1.67 -1.11 0.00 0.00 175.55 177.20 1q3b s TRP 256 N -0.22 -0.36 -0.38 2.71 -2.14 -0.56 -4.80 118.94 113.19 1q3b s TRP 256 Ca 0.03 0.15 -0.16 0.00 2.66 0.00 0.00 56.10 58.78 1q3b s TRP 256 Cb -0.13 0.57 0.01 0.00 -3.10 0.00 0.00 33.47 30.82 1q3b s TRP 256 CO 0.03 -0.72 0.38 0.00 -2.66 0.00 0.00 176.95 173.98 1q3b n PRO 258 N 5.43 0.14 -0.02 0.00 -0.04 -1.26 -1.92 135.00 137.32 1q3b n PRO 258 Ca -0.09 0.38 -0.16 0.00 -0.04 0.00 0.00 63.50 63.60 1q3b n PRO 258 Cb 0.48 -1.77 -0.11 0.00 -0.04 0.00 0.00 33.50 32.06 1q3b n PRO 258 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1q3b h GLY 259 N 2.23 0.28 -0.01 0.55 0.00 -1.91 -3.40 103.07 100.81 1q3b h GLY 259 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1q3b h GLY 259 CO 0.00 0.43 -0.01 0.00 0.00 0.00 0.00 176.54 176.96 1q3b s GLN 261 N -1.75 2.99 0.00 0.00 -0.21 -0.81 -4.67 119.66 115.22 1q3b s GLN 261 Ca 0.13 -0.86 0.00 0.00 0.02 0.00 0.00 55.36 54.65 1q3b s GLN 261 Cb 0.12 -2.31 0.00 0.00 1.00 0.00 0.00 33.01 31.81 1q3b s GLN 261 CO 0.01 0.22 0.00 -2.39 -2.12 0.00 0.00 175.29 171.02