#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qhb s ILE 3 N 0.00 4.91 0.35 -0.61 1.01 -1.26 -5.00 121.20 120.60 1qhb s ILE 3 Ca 0.00 1.65 -0.26 0.00 0.00 0.00 0.00 60.65 62.04 1qhb s ILE 3 Cb 0.00 -4.14 -0.12 0.00 0.01 0.00 0.00 42.46 38.20 1qhb s ILE 3 CO 0.00 0.09 1.03 -2.65 0.00 0.00 0.00 174.94 173.41 1qhb n PRO 4 N 4.78 1.44 -4.01 2.79 -0.02 -1.26 -4.97 135.00 133.76 1qhb n PRO 4 Ca 0.04 0.51 -0.13 0.00 -2.02 0.00 0.00 63.50 61.89 1qhb n PRO 4 Cb 0.50 -1.98 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 1qhb n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qhb s ALA 5 N -1.16 0.37 0.21 3.55 0.00 -1.26 -5.16 121.76 118.30 1qhb s ALA 5 Ca 0.60 -1.32 0.09 0.00 0.00 0.00 0.00 51.96 51.33 1qhb s ALA 5 Cb -0.62 1.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.47 1qhb s ALA 5 CO 0.59 -0.85 -0.17 0.34 0.00 0.00 0.00 175.76 175.68 1qhb s ASP 6 N -3.20 2.80 0.22 0.00 -1.08 -1.26 -5.15 116.67 108.99 1qhb s ASP 6 Ca 0.26 -0.97 0.08 0.00 -0.52 0.00 0.00 52.55 51.40 1qhb s ASP 6 Cb -0.02 -0.17 -0.04 0.00 -1.46 0.00 0.00 42.92 41.23 1qhb s ASP 6 CO 0.18 -0.09 0.02 0.54 0.52 0.00 0.00 175.17 176.34 1qhb s ASN 7 N -3.15 4.75 0.46 -0.34 4.22 -1.26 -5.13 114.94 114.50 1qhb s ASN 7 Ca 0.22 -0.47 -0.03 0.00 -2.14 0.00 0.00 52.86 50.43 1qhb s ASN 7 Cb -0.03 -0.99 -0.03 0.00 1.28 0.00 0.00 41.25 41.49 1qhb s ASN 7 CO 0.08 0.04 0.73 -0.76 -2.04 0.00 0.00 177.10 175.16 1qhb s LEU 8 N -3.29 3.66 0.22 3.54 1.43 -1.26 -5.11 118.68 117.87 1qhb s LEU 8 Ca 0.29 0.72 0.01 0.00 -1.03 0.00 0.00 54.13 54.12 1qhb s LEU 8 Cb -0.08 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.46 1qhb s LEU 8 CO 0.20 -0.59 0.09 0.00 0.23 0.00 0.00 176.35 176.27 1qhb s GLN 9 N -4.66 1.28 0.90 1.70 -2.07 -1.26 -5.14 119.66 110.41 1qhb s GLN 9 Ca 0.47 -1.68 -0.12 0.00 -1.82 0.00 0.00 55.36 52.21 1qhb s GLN 9 Cb -0.10 -0.10 0.09 0.00 -1.09 0.00 0.00 33.01 31.80 1qhb s GLN 9 CO 0.42 -0.29 0.86 -1.13 -1.32 0.00 0.00 175.29 173.83 1qhb n SER 10 N -0.36 -0.49 -0.12 12.60 3.41 -1.26 -4.83 113.62 122.56 1qhb n SER 10 Ca -0.01 0.43 -0.09 0.00 -0.26 0.00 0.00 58.87 58.94 1qhb n SER 10 Cb 0.66 -1.37 -0.01 0.00 -0.26 0.00 0.00 64.21 63.23 1qhb n SER 10 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1qhb h ARG 11 N -1.51 0.52 -0.68 4.33 9.65 -2.00 -2.63 114.38 122.06 1qhb h ARG 11 Ca -0.44 -0.06 0.05 0.00 -1.10 0.00 0.00 59.98 58.43 1qhb h ARG 11 Cb 1.28 -0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 29.71 1qhb h ARG 11 CO 0.40 0.43 0.40 0.00 2.80 0.00 0.00 179.97 184.00 1qhb h ALA 12 N 1.06 0.90 -0.48 2.80 0.00 -1.99 -0.05 119.26 121.50 1qhb h ALA 12 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1qhb h ALA 12 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1qhb h ALA 12 CO -0.02 0.11 -0.09 -0.22 0.00 0.00 0.00 179.25 179.03 1qhb h LYS 13 N 0.75 0.86 -0.39 0.00 1.63 -1.86 -1.90 116.57 115.65 1qhb h LYS 13 Ca 0.29 -0.29 -0.10 0.00 -0.85 0.00 0.00 60.65 59.70 1qhb h LYS 13 Cb 0.12 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 1qhb h LYS 13 CO -0.15 0.92 -0.18 0.00 -3.45 0.00 0.00 179.45 176.59 1qhb h ALA 14 N 1.11 0.95 -0.29 5.00 0.00 -1.21 0.38 119.26 125.21 1qhb h ALA 14 Ca 0.13 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1qhb h ALA 14 Cb 0.60 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1qhb h ALA 14 CO 0.04 0.61 -0.21 1.03 0.00 0.00 0.00 179.25 180.71 1qhb h SER 15 N 0.66 0.69 -0.15 0.00 0.87 -0.76 -1.37 113.55 113.50 1qhb h SER 15 Ca 0.10 -0.44 -0.01 0.00 -1.23 0.00 0.00 61.79 60.21 1qhb h SER 15 Cb 0.66 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1qhb h SER 15 CO 0.05 0.99 0.06 0.15 -0.53 0.00 0.00 176.83 177.55 1qhb h PHE 16 N 0.40 0.23 -0.04 2.24 3.57 -1.14 -2.67 116.94 119.54 1qhb h PHE 16 Ca 0.06 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 1qhb h PHE 16 Cb 0.76 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 1qhb h PHE 16 CO 0.07 0.31 -0.26 -0.44 -2.23 0.00 0.00 178.31 175.75 1qhb h ASP 17 N 0.09 0.07 -0.56 0.41 3.32 -0.89 -1.97 116.42 116.89 1qhb h ASP 17 Ca 0.05 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 1qhb h ASP 17 Cb 0.18 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1qhb h ASP 17 CO -0.00 0.34 0.02 0.74 -1.72 0.00 0.00 179.24 178.61 1qhb h THR 18 N 0.07 1.26 -0.25 0.35 2.02 -1.04 -1.46 112.91 113.86 1qhb h THR 18 Ca 0.01 -1.10 -0.14 0.00 0.77 0.00 0.00 66.41 65.95 1qhb h THR 18 Cb 0.51 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1qhb h THR 18 CO 0.04 0.39 -0.43 0.03 0.37 0.00 0.00 175.52 175.92 1qhb h ARG 19 N 0.86 0.62 -0.34 6.66 3.08 -1.12 -2.30 114.38 121.84 1qhb h ARG 19 Ca 0.16 -0.33 -0.17 0.00 0.07 0.00 0.00 59.98 59.71 1qhb h ARG 19 Cb 0.52 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 1qhb h ARG 19 CO 0.03 0.93 -0.45 0.28 -1.07 0.00 0.00 179.97 179.69 1qhb h VAL 20 N 0.50 1.27 -0.52 2.04 2.07 -1.38 -1.93 116.25 118.30 1qhb h VAL 20 Ca 0.04 -1.63 -0.05 0.00 0.82 0.00 0.00 66.70 65.88 1qhb h VAL 20 Cb 0.96 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1qhb h VAL 20 CO 0.09 0.54 0.12 0.00 0.02 0.00 0.00 177.57 178.33 1qhb h ALA 21 N 0.77 1.22 -0.21 1.67 0.00 -1.13 0.28 119.26 121.86 1qhb h ALA 21 Ca 0.04 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 1qhb h ALA 21 Cb 1.05 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1qhb h ALA 21 CO 0.10 0.53 -0.60 0.00 0.00 0.00 0.00 179.25 179.29 1qhb h ALA 22 N 1.35 0.56 -0.59 0.00 0.00 -1.31 -0.96 119.26 118.32 1qhb h ALA 22 Ca 0.17 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1qhb h ALA 22 Cb 0.30 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1qhb h ALA 22 CO -0.00 0.69 0.16 0.00 0.00 0.00 0.00 179.25 180.10 1qhb h ALA 23 N 0.82 1.17 -0.53 0.00 0.00 -0.82 -1.80 119.26 118.10 1qhb h ALA 23 Ca -0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1qhb h ALA 23 Cb 1.18 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1qhb h ALA 23 CO 0.12 0.57 -0.07 0.93 0.00 0.00 0.00 179.25 180.80 1qhb h GLU 24 N 0.87 0.96 -0.50 0.00 5.08 -0.66 -0.31 114.58 120.01 1qhb h GLU 24 Ca 0.19 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1qhb h GLU 24 Cb 0.29 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1qhb h GLU 24 CO -0.00 0.99 0.23 1.25 -1.00 0.00 0.00 179.01 180.47 1qhb h LEU 25 N 0.86 0.67 -0.55 1.33 6.46 -0.75 0.46 115.31 123.80 1qhb h LEU 25 Ca 0.15 -0.14 -0.12 0.00 -0.12 0.00 0.00 57.88 57.64 1qhb h LEU 25 Cb 0.60 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 1qhb h LEU 25 CO 0.04 0.63 -0.16 0.00 -0.62 0.00 0.00 178.44 178.33 1qhb h ALA 26 N 1.07 0.75 -0.45 1.25 0.00 -1.10 -2.66 119.26 118.10 1qhb h ALA 26 Ca 0.17 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1qhb h ALA 26 Cb 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1qhb h ALA 26 CO -0.02 0.67 0.09 1.25 0.00 0.00 0.00 179.25 181.25 1qhb h LEU 27 N 0.88 0.70 -1.11 0.00 5.85 -0.79 -2.58 115.31 118.26 1qhb h LEU 27 Ca 0.13 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1qhb h LEU 27 Cb 0.73 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1qhb h LEU 27 CO 0.06 0.77 0.00 0.00 -0.34 0.00 0.00 178.44 178.92 1qhb n ALA 28 N -2.38 1.33 0.26 1.25 0.00 0.13 -2.25 120.51 118.86 1qhb n ALA 28 Ca 0.00 0.15 0.15 0.00 0.00 0.00 0.00 53.44 53.74 1qhb n ALA 28 Cb 0.23 -1.35 0.60 0.00 0.00 0.00 0.00 19.45 18.93 1qhb n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qhb h ARG 29 N 0.00 0.00 0.00 0.00 3.08 -1.16 -3.49 114.38 112.82 1qhb h ARG 29 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1qhb h ARG 29 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1qhb h ARG 29 CO 0.00 0.07 0.00 0.41 -1.07 0.00 0.00 179.97 179.38 1qhb n GLY 30 N 0.08 -0.28 2.98 0.04 0.00 -0.95 -4.98 105.19 102.07 1qhb n GLY 30 Ca 0.00 -1.77 -0.20 0.00 0.00 0.00 0.00 46.02 44.06 1qhb n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhb s ALA 31 N -1.88 0.81 0.06 4.61 0.00 -1.26 -4.95 121.76 119.15 1qhb s ALA 31 Ca 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 51.96 51.73 1qhb s ALA 31 Cb 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1qhb s ALA 31 CO 0.00 0.11 -0.02 0.14 0.00 0.00 0.00 175.76 175.99 1qhb s VAL 32 N 0.32 3.96 0.64 0.00 -7.23 -0.44 -5.03 120.40 112.62 1qhb s VAL 32 Ca -0.05 -0.89 -0.13 0.00 -1.81 0.00 0.00 61.98 59.10 1qhb s VAL 32 Cb -0.09 -2.83 -0.01 0.00 0.56 0.00 0.00 36.38 34.00 1qhb s VAL 32 CO 0.01 0.21 1.06 -2.16 -0.31 0.00 0.00 175.10 173.91 1qhb s PRO 33 N -2.01 3.12 -0.15 4.82 0.04 -1.26 -4.49 135.00 135.07 1qhb s PRO 33 Ca 0.23 1.10 -0.01 0.00 0.04 0.00 0.00 61.00 62.36 1qhb s PRO 33 Cb -0.12 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1qhb s PRO 33 CO 0.15 -0.96 -0.12 -1.12 0.04 0.00 0.00 177.00 174.99 1qhb s SER 34 N -3.23 4.02 -0.08 6.66 0.01 -1.26 -4.79 113.70 115.02 1qhb s SER 34 Ca 0.61 -0.35 -0.01 0.00 1.31 0.00 0.00 55.95 57.50 1qhb s SER 34 Cb -0.15 -1.63 -0.03 0.00 0.21 0.00 0.00 66.02 64.42 1qhb s SER 34 CO 0.45 0.12 -0.02 -0.36 0.41 0.00 0.00 173.24 173.85 1qhb s PHE 35 N 0.61 3.10 0.42 2.43 0.08 -1.26 -5.09 117.98 118.27 1qhb s PHE 35 Ca -0.07 0.14 0.05 0.00 0.12 0.00 0.00 56.93 57.17 1qhb s PHE 35 Cb -0.15 -1.77 0.01 0.00 -0.57 0.00 0.00 43.02 40.53 1qhb s PHE 35 CO 0.03 0.42 0.59 0.00 -0.10 0.00 0.00 175.22 176.16 1qhb s ALA 36 N -0.83 4.23 -1.27 5.36 0.00 -1.26 -3.38 121.76 124.62 1qhb s ALA 36 Ca 0.13 -1.47 0.25 0.00 0.00 0.00 0.00 51.96 50.87 1qhb s ALA 36 Cb -0.11 -1.79 1.20 0.00 0.00 0.00 0.00 23.12 22.42 1qhb s ALA 36 CO 0.02 -0.31 1.84 0.27 0.00 0.00 0.00 175.76 177.57 1qhb n ASN 37 N -1.91 0.00 0.00 0.00 0.23 -1.26 -4.85 115.26 107.47 1qhb n ASN 37 Ca 0.05 0.14 0.00 0.00 -0.53 0.00 0.00 54.58 54.24 1qhb n ASN 37 Cb 0.59 -0.37 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 1qhb n ASN 37 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qhb n GLY 38 N 0.95 0.79 0.18 4.83 0.00 -1.26 -4.95 105.19 105.73 1qhb n GLY 38 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 1qhb n GLY 38 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qhb h GLU 39 N 4.02 0.35 -0.91 1.61 5.08 -1.97 -3.30 114.58 119.47 1qhb h GLU 39 Ca 0.00 -0.23 0.14 0.00 -1.00 0.00 0.00 59.36 58.27 1qhb h GLU 39 Cb 0.00 0.03 -0.15 0.00 0.50 0.00 0.00 28.75 29.14 1qhb h GLU 39 CO 0.00 0.83 -0.41 1.49 -1.00 0.00 0.00 179.01 179.93 1qhb h GLU 40 N 0.26 -0.04 -0.14 2.33 4.81 -1.92 -2.04 114.58 117.84 1qhb h GLU 40 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1qhb h GLU 40 Cb 1.10 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1qhb h GLU 40 CO 0.10 -0.03 0.00 1.28 -0.73 0.00 0.00 179.01 179.63 1qhb n LEU 41 N -5.44 3.01 0.01 1.64 4.77 -1.26 -4.41 117.00 115.31 1qhb n LEU 41 Ca 0.08 -1.16 -0.13 0.00 -0.03 0.00 0.00 56.01 54.77 1qhb n LEU 41 Cb 0.38 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.30 1qhb n LEU 41 CO -0.11 0.56 0.67 0.25 -1.33 0.00 0.00 177.39 177.43 1qhb h LEU 42 N 4.29 -0.02 -9.51 2.23 5.85 -1.44 -3.44 115.31 113.27 1qhb h LEU 42 Ca 0.00 -0.38 -0.53 0.00 0.84 0.00 0.00 57.88 57.81 1qhb h LEU 42 Cb 0.93 0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.97 1qhb h LEU 42 CO 0.00 0.37 0.56 -0.31 -0.34 0.00 0.00 178.44 178.72 1qhb s TYR 43 N -4.61 3.44 0.10 1.25 2.02 -1.24 -4.99 117.35 113.31 1qhb s TYR 43 Ca -0.15 1.32 0.09 0.00 -0.37 0.00 0.00 57.07 57.96 1qhb s TYR 43 Cb 0.02 -3.42 -0.03 0.00 -0.40 0.00 0.00 41.96 38.13 1qhb s TYR 43 CO 0.66 -1.27 -0.24 1.03 -1.57 0.00 0.00 175.55 174.16 1qhb s ARG 44 N 0.86 1.35 -0.22 -0.62 1.81 -1.26 -1.69 118.95 119.17 1qhb s ARG 44 Ca 0.58 -1.20 -0.28 0.00 -1.72 0.00 0.00 55.73 53.10 1qhb s ARG 44 Cb -0.30 -1.67 0.01 0.00 -0.45 0.00 0.00 34.95 32.53 1qhb s ARG 44 CO 0.30 0.40 1.01 1.21 -0.68 0.00 0.00 175.30 177.55 1qhb s ASN 45 N -1.79 7.08 0.29 0.23 3.84 0.20 -4.70 114.94 120.09 1qhb s ASN 45 Ca 0.10 1.35 0.02 0.00 0.21 0.00 0.00 52.86 54.54 1qhb s ASN 45 Cb -0.10 -2.53 0.58 0.00 -0.55 0.00 0.00 41.25 38.66 1qhb s ASN 45 CO 0.04 -0.64 1.84 0.28 -2.79 0.00 0.00 177.10 175.84 1qhb h SER 46 N 7.45 0.90 0.11 -4.21 0.02 -1.95 0.23 113.55 116.11 1qhb h SER 46 Ca -0.20 0.05 -0.23 0.00 -0.84 0.00 0.00 61.79 60.57 1qhb h SER 46 Cb 1.07 -0.13 0.02 0.00 0.14 0.00 0.00 62.40 63.50 1qhb h SER 46 CO 0.96 0.48 -0.96 -0.33 -1.14 0.00 0.00 176.83 175.84 1qhb h GLU 47 N 0.97 0.45 0.00 3.45 5.08 -1.97 -3.36 114.58 119.20 1qhb h GLU 47 Ca 0.49 -0.63 -0.08 0.00 -1.00 0.00 0.00 59.36 58.14 1qhb h GLU 47 Cb 0.51 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1qhb h GLU 47 CO -0.26 1.27 -1.64 0.25 -1.00 0.00 0.00 179.01 177.63 1qhb n THR 48 N -4.01 0.59 -0.24 1.13 -2.24 -1.19 -4.98 114.28 103.34 1qhb n THR 48 Ca -0.13 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1qhb n THR 48 Cb 0.86 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1qhb n THR 48 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qhb n GLY 49 N 1.33 1.82 3.84 3.38 0.00 0.78 -5.03 105.19 111.31 1qhb n GLY 49 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1qhb n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qhb s ASP 50 N -3.35 5.40 0.33 1.61 1.01 -1.25 -4.60 116.67 115.82 1qhb s ASP 50 Ca 0.00 1.46 -0.29 0.00 0.71 0.00 0.00 52.55 54.43 1qhb s ASP 50 Cb 0.00 -2.33 -0.11 0.00 1.01 0.00 0.00 42.92 41.49 1qhb s ASP 50 CO 0.00 -1.41 1.41 -2.16 0.21 0.00 0.00 175.17 173.22 1qhb s PRO 51 N -5.13 4.24 0.01 8.23 0.04 -1.26 0.62 135.00 141.75 1qhb s PRO 51 Ca 0.58 2.38 0.22 0.00 0.04 0.00 0.00 61.00 64.21 1qhb s PRO 51 Cb -0.13 -3.04 -0.27 0.00 0.04 0.00 0.00 34.50 31.10 1qhb s PRO 51 CO 0.54 -0.38 0.60 -1.13 0.04 0.00 0.00 177.00 176.68 1qhb n SER 52 N 1.08 0.19 -2.21 6.66 3.41 -0.68 -4.67 113.62 117.39 1qhb n SER 52 Ca 0.02 0.02 -0.20 0.00 -0.26 0.00 0.00 58.87 58.46 1qhb n SER 52 Cb 0.40 1.67 -0.03 0.00 -0.26 0.00 0.00 64.21 66.00 1qhb n SER 52 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1qhb n PHE 53 N -2.30 -0.81 0.27 7.33 3.72 -1.26 -4.37 117.46 120.03 1qhb n PHE 53 Ca -0.03 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.52 1qhb n PHE 53 Cb 0.56 -3.76 0.73 0.00 -0.94 0.00 0.00 39.48 36.07 1qhb n PHE 53 CO 0.00 0.00 0.00 -0.84 -0.05 0.00 0.00 176.76 175.87 1qhb h ILE 54 N 0.00 0.32 -0.33 4.37 3.07 -1.89 -1.99 117.51 121.05 1qhb h ILE 54 Ca -0.46 -0.57 0.00 0.00 1.55 0.00 0.00 64.86 65.38 1qhb h ILE 54 Cb 1.34 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 39.32 1qhb h ILE 54 CO 0.57 0.09 0.00 0.61 -1.05 0.00 0.00 178.15 178.37 1qhb n GLY 55 N -0.36 0.91 3.52 0.16 0.00 -1.26 -4.95 105.19 103.22 1qhb n GLY 55 Ca -0.01 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 1qhb n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qhb s SER 56 N -1.32 3.93 -0.09 1.61 0.01 -0.75 -3.60 113.70 113.48 1qhb s SER 56 Ca 0.33 -0.78 -0.29 0.00 1.31 0.00 0.00 55.95 56.51 1qhb s SER 56 Cb 0.18 -0.52 -0.05 0.00 0.21 0.00 0.00 66.02 65.84 1qhb s SER 56 CO 0.25 0.07 1.60 0.12 0.41 0.00 0.00 173.24 175.69 1qhb s PHE 57 N -2.02 2.11 -0.05 2.43 5.36 -0.41 -4.33 117.98 121.06 1qhb s PHE 57 Ca 0.26 0.35 0.11 0.00 -0.96 0.00 0.00 56.93 56.70 1qhb s PHE 57 Cb -0.07 -3.87 0.21 0.00 -0.34 0.00 0.00 43.02 38.95 1qhb s PHE 57 CO 0.15 -3.44 1.10 0.25 -1.46 0.00 0.00 175.22 171.81 1qhb n THR 58 N 5.60 0.64 -1.75 0.12 -2.24 -1.26 -4.94 114.28 110.46 1qhb n THR 58 Ca 0.17 -1.08 -0.42 0.00 -2.27 0.00 0.00 64.05 60.45 1qhb n THR 58 Cb 0.43 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 69.02 1qhb n THR 58 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1qhb s LYS 59 N -0.97 4.14 0.00 -0.78 2.20 -1.26 -2.10 119.74 120.97 1qhb s LYS 59 Ca 0.19 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.38 1qhb s LYS 59 Cb 0.19 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.22 1qhb s LYS 59 CO -0.04 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 174.58 1qhb n GLY 60 N 4.06 3.09 3.80 5.54 0.00 0.33 -4.95 105.19 117.05 1qhb n GLY 60 Ca 0.16 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 1qhb n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qhb s LEU 61 N 0.00 3.91 -0.04 0.99 1.43 -0.89 -0.55 118.68 123.53 1qhb s LEU 61 Ca 0.00 1.91 -0.30 0.00 -1.03 0.00 0.00 54.13 54.71 1qhb s LEU 61 Cb 0.00 -4.50 -0.06 0.00 0.03 0.00 0.00 46.19 41.66 1qhb s LEU 61 CO 0.00 -0.67 1.66 -2.84 0.23 0.00 0.00 176.35 174.73 1qhb s PRO 62 N -3.11 4.18 0.17 1.29 0.02 -1.26 -4.57 135.00 131.72 1qhb s PRO 62 Ca 0.65 2.21 0.05 0.00 0.02 0.00 0.00 61.00 63.93 1qhb s PRO 62 Cb -0.16 -3.94 -0.04 0.00 0.02 0.00 0.00 34.50 30.38 1qhb s PRO 62 CO 0.20 -0.83 0.16 -1.01 -0.33 0.00 0.00 177.00 175.19 1qhb s HIS 63 N 3.87 3.20 0.55 6.54 3.76 -1.26 -1.83 115.29 130.12 1qhb s HIS 63 Ca 0.74 -0.00 -0.04 0.00 -0.15 0.00 0.00 55.06 55.61 1qhb s HIS 63 Cb -0.34 -1.53 0.12 0.00 1.11 0.00 0.00 32.58 31.93 1qhb s HIS 63 CO 0.30 0.52 0.75 -0.40 -0.85 0.00 0.00 174.74 175.06 1qhb n ASP 64 N -0.42 0.62 0.22 1.40 5.68 0.73 -4.78 116.55 119.99 1qhb n ASP 64 Ca -0.08 -1.61 0.15 0.00 -0.50 0.00 0.00 54.79 52.75 1qhb n ASP 64 Cb 0.55 -0.52 0.68 0.00 -1.14 0.00 0.00 41.12 40.68 1qhb n ASP 64 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1qhb h ASP 65 N -0.67 0.00 0.01 -1.12 3.32 -2.01 -1.46 116.42 114.48 1qhb h ASP 65 Ca -0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1qhb h ASP 65 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1qhb h ASP 65 CO 0.23 0.00 -0.07 0.59 -1.72 0.00 0.00 179.24 178.27 1qhb n ASN 66 N -2.66 1.98 0.00 6.45 5.03 -1.26 -4.96 115.26 119.84 1qhb n ASN 66 Ca 0.00 -1.59 0.00 0.00 0.87 0.00 0.00 54.58 53.86 1qhb n ASN 66 Cb 0.20 0.05 0.00 0.00 -1.02 0.00 0.00 39.78 39.02 1qhb n ASN 66 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qhb n GLY 67 N 1.27 0.76 3.88 7.41 0.00 -0.55 -4.86 105.19 113.10 1qhb n GLY 67 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1qhb n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhb s ALA 68 N -2.28 3.68 0.54 4.61 0.00 -1.26 -4.74 121.76 122.31 1qhb s ALA 68 Ca 0.00 -0.37 -0.21 0.00 0.00 0.00 0.00 51.96 51.38 1qhb s ALA 68 Cb 0.00 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.76 1qhb s ALA 68 CO 0.00 0.57 1.21 0.96 0.00 0.00 0.00 175.76 178.50 1qhb s ILE 69 N -1.62 2.74 0.08 0.00 -4.36 -1.26 -0.19 121.20 116.60 1qhb s ILE 69 Ca 0.40 0.50 -0.14 0.00 -0.26 0.00 0.00 60.65 61.16 1qhb s ILE 69 Cb -0.13 -3.23 -0.17 0.00 1.25 0.00 0.00 42.46 40.18 1qhb s ILE 69 CO 0.21 -0.06 1.27 0.40 0.24 0.00 0.00 174.94 177.00 1qhb h ILE 70 N 1.30 1.30 -3.26 8.37 2.04 -1.67 -3.44 117.51 122.15 1qhb h ILE 70 Ca -0.50 -1.98 -0.54 0.00 1.00 0.00 0.00 64.86 62.84 1qhb h ILE 70 Cb 1.28 2.08 -0.37 0.00 -0.74 0.00 0.00 36.82 39.07 1qhb h ILE 70 CO 0.57 0.62 -0.80 -0.62 0.00 0.00 0.00 178.15 177.92 1qhb s ASP 71 N -7.04 2.53 0.47 1.72 -1.08 -1.26 -5.01 116.67 106.99 1qhb s ASP 71 Ca -0.11 -0.49 0.14 0.00 -0.52 0.00 0.00 52.55 51.57 1qhb s ASP 71 Cb 0.08 -0.88 1.13 0.00 -1.46 0.00 0.00 42.92 41.78 1qhb s ASP 71 CO 0.89 -0.15 2.07 1.55 0.52 0.00 0.00 175.17 180.04 1qhb h PRO 72 N 8.15 0.23 0.00 4.34 0.13 -1.86 0.16 132.00 143.14 1qhb h PRO 72 Ca -0.27 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1qhb h PRO 72 Cb 1.12 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1qhb h PRO 72 CO 0.40 0.15 -0.04 -0.44 -0.23 0.00 0.00 178.00 177.85 1qhb h ASP 73 N 0.24 0.00 -0.58 1.44 3.32 -1.96 -2.04 116.42 116.84 1qhb h ASP 73 Ca 0.14 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 1qhb h ASP 73 Cb 0.24 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 1qhb h ASP 73 CO -0.03 0.04 0.12 0.44 -1.72 0.00 0.00 179.24 178.09 1qhb h ASP 74 N 0.00 0.92 -0.31 6.45 3.32 -1.39 -0.68 116.42 124.73 1qhb h ASP 74 Ca -0.00 -0.19 -0.15 0.00 0.02 0.00 0.00 57.03 56.71 1qhb h ASP 74 Cb 0.06 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 1qhb h ASP 74 CO 0.00 0.91 -0.38 0.15 -1.72 0.00 0.00 179.24 178.20 1qhb h PHE 75 N 0.93 0.99 -0.28 4.55 3.57 -1.50 -2.54 116.94 122.65 1qhb h PHE 75 Ca 0.19 -0.31 -0.08 0.00 3.53 0.00 0.00 57.97 61.30 1qhb h PHE 75 Cb 0.37 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1qhb h PHE 75 CO 0.02 1.11 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.98 1qhb h LEU 76 N 0.58 0.48 -0.39 0.59 3.38 -1.14 -0.56 115.31 118.26 1qhb h LEU 76 Ca 0.04 -0.14 -0.19 0.00 0.09 0.00 0.00 57.88 57.69 1qhb h LEU 76 Cb 0.97 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1qhb h LEU 76 CO 0.09 0.67 -0.69 0.00 0.09 0.00 0.00 178.44 178.60 1qhb h ALA 77 N 1.38 0.57 -0.25 1.53 0.00 -1.15 -2.33 119.26 119.02 1qhb h ALA 77 Ca 0.08 -0.58 0.02 0.00 0.00 0.00 0.00 54.91 54.42 1qhb h ALA 77 Cb 0.54 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1qhb h ALA 77 CO 0.03 0.73 0.12 0.35 0.00 0.00 0.00 179.25 180.49 1qhb h PHE 78 N 0.37 0.23 -0.70 0.00 3.57 -0.95 -1.26 116.94 118.20 1qhb h PHE 78 Ca -0.02 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 1qhb h PHE 78 Cb 1.27 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 1qhb h PHE 78 CO 0.05 0.13 0.14 0.28 -2.23 0.00 0.00 178.31 176.68 1qhb h VAL 79 N 0.26 1.26 -0.27 1.41 2.07 -0.87 -1.70 116.25 118.41 1qhb h VAL 79 Ca 0.10 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1qhb h VAL 79 Cb 0.03 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1qhb h VAL 79 CO -0.07 0.39 0.18 0.03 0.02 0.00 0.00 177.57 178.11 1qhb h ARG 80 N 1.07 0.36 -0.42 1.57 3.08 -1.23 -2.33 114.38 116.48 1qhb h ARG 80 Ca 0.22 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 1qhb h ARG 80 Cb 0.41 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1qhb h ARG 80 CO 0.01 0.25 0.21 0.00 -1.07 0.00 0.00 179.97 179.37 1qhb h ALA 81 N 1.09 1.57 -0.48 0.04 0.00 -0.96 -2.43 119.26 118.09 1qhb h ALA 81 Ca 0.10 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1qhb h ALA 81 Cb -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1qhb h ALA 81 CO -0.02 0.35 0.11 0.82 0.00 0.00 0.00 179.25 180.51 1qhb h ILE 82 N 0.59 1.24 0.00 0.00 2.04 -0.97 -1.53 117.51 118.88 1qhb h ILE 82 Ca 0.15 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1qhb h ILE 82 Cb 0.06 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1qhb h ILE 82 CO -0.02 0.30 0.00 0.78 0.00 0.00 0.00 178.15 179.21 1qhb h ASN 83 N 0.65 0.00 0.01 1.72 2.35 -1.17 -3.34 115.58 115.80 1qhb h ASN 83 Ca 0.15 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.52 1qhb h ASN 83 Cb 0.33 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.63 1qhb h ASN 83 CO 0.00 0.00 -2.42 -1.54 -1.65 0.00 0.00 177.43 171.82 1qhb n SER 84 N -3.00 1.52 0.00 5.81 3.41 -0.94 -4.98 113.62 115.44 1qhb n SER 84 Ca 0.02 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1qhb n SER 84 Cb 0.40 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1qhb n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qhb n GLY 85 N 2.12 1.67 3.67 5.00 0.00 -0.58 -4.97 105.19 112.10 1qhb n GLY 85 Ca -0.42 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 1qhb n GLY 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qhb s ASP 86 N -3.30 6.44 0.24 1.61 2.15 -1.26 -4.90 116.67 117.65 1qhb s ASP 86 Ca 0.00 2.70 -0.06 0.00 0.43 0.00 0.00 52.55 55.62 1qhb s ASP 86 Cb 0.00 -2.54 0.30 0.00 -0.30 0.00 0.00 42.92 40.37 1qhb s ASP 86 CO 0.00 -1.03 1.88 -0.33 -0.17 0.00 0.00 175.17 175.52 1qhb h GLU 87 N 9.80 1.08 -0.27 4.34 3.07 -1.96 -1.43 114.58 129.22 1qhb h GLU 87 Ca -0.48 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 58.22 1qhb h GLU 87 Cb 1.23 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.88 1qhb h GLU 87 CO 0.94 0.71 -0.25 0.87 -1.40 0.00 0.00 179.01 179.88 1qhb h LYS 88 N 1.11 0.51 -0.28 2.33 1.57 -1.99 -1.93 116.57 117.90 1qhb h LYS 88 Ca 0.37 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 58.81 1qhb h LYS 88 Cb 0.04 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1qhb h LYS 88 CO -0.13 0.73 -0.39 1.49 -0.57 0.00 0.00 179.45 180.58 1qhb h GLU 89 N 0.45 0.65 -0.41 3.15 4.81 -1.83 -1.72 114.58 119.68 1qhb h GLU 89 Ca 0.07 -0.33 -0.09 0.00 -0.13 0.00 0.00 59.36 58.88 1qhb h GLU 89 Cb 0.68 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 1qhb h GLU 89 CO 0.05 0.93 -0.12 0.82 -0.73 0.00 0.00 179.01 179.96 1qhb h ILE 90 N 0.54 1.26 0.00 2.32 2.04 -0.92 -3.08 117.51 119.66 1qhb h ILE 90 Ca 0.05 -1.16 -0.11 0.00 1.00 0.00 0.00 64.86 64.64 1qhb h ILE 90 Cb 0.91 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 1qhb h ILE 90 CO 0.08 0.39 -0.52 0.00 0.00 0.00 0.00 178.15 178.10 1qhb h ALA 91 N 1.20 1.14 0.00 1.87 0.00 -0.90 -2.92 119.26 119.65 1qhb h ALA 91 Ca 0.11 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1qhb h ALA 91 Cb 0.58 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1qhb h ALA 91 CO 0.04 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.94 1qhb n ALA 92 N -2.44 2.62 -1.42 0.00 0.00 -0.69 -4.88 120.51 113.70 1qhb n ALA 92 Ca -0.01 -0.18 -0.30 0.00 0.00 0.00 0.00 53.44 52.94 1qhb n ALA 92 Cb 0.53 -1.50 0.09 0.00 0.00 0.00 0.00 19.45 18.57 1qhb n ALA 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qhb s LEU 93 N -2.14 2.79 -0.25 0.00 1.43 -1.10 -5.00 118.68 114.40 1qhb s LEU 93 Ca 0.42 1.56 -0.21 0.00 -1.03 0.00 0.00 54.13 54.87 1qhb s LEU 93 Cb 0.21 -4.23 -0.02 0.00 0.03 0.00 0.00 46.19 42.18 1qhb s LEU 93 CO 0.39 -1.96 0.65 -0.89 0.23 0.00 0.00 176.35 174.77 1qhb s THR 94 N -3.02 4.97 -0.08 5.49 2.01 -1.26 -5.04 115.64 118.70 1qhb s THR 94 Ca 0.61 1.18 0.01 0.00 0.31 0.00 0.00 61.69 63.80 1qhb s THR 94 Cb -0.16 -3.95 0.02 0.00 0.01 0.00 0.00 72.50 68.42 1qhb s THR 94 CO 0.55 0.02 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.19 1qhb s LEU 95 N 2.51 1.45 0.00 4.42 2.96 -1.26 -4.55 118.68 124.20 1qhb s LEU 95 Ca 0.27 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 1qhb s LEU 95 Cb -0.15 -0.79 0.00 0.00 0.50 0.00 0.00 46.19 45.75 1qhb s LEU 95 CO 0.08 -0.03 0.00 0.61 -1.32 0.00 0.00 176.35 175.69 1qhb n GLY 96 N 4.23 0.04 3.33 7.98 0.00 0.28 -5.00 105.19 116.06 1qhb n GLY 96 Ca -0.19 -1.83 -0.24 0.00 0.00 0.00 0.00 46.02 43.75 1qhb n GLY 96 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1qhb n PRO 97 N 0.17 -0.92 -1.76 1.61 -0.04 -1.26 -4.27 135.00 128.53 1qhb n PRO 97 Ca 0.00 -1.88 -0.41 0.00 -0.04 0.00 0.00 63.50 61.17 1qhb n PRO 97 Cb 0.00 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1qhb n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qhb n ALA 98 N -3.59 2.13 -2.80 0.55 0.00 -1.26 -4.70 120.51 110.84 1qhb n ALA 98 Ca -0.18 0.34 -0.22 0.00 0.00 0.00 0.00 53.44 53.38 1qhb n ALA 98 Cb 0.50 -2.38 -0.05 0.00 0.00 0.00 0.00 19.45 17.52 1qhb n ALA 98 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1qhb s ARG 99 N -2.09 2.85 -0.31 0.00 0.52 -1.26 -1.12 118.95 117.54 1qhb s ARG 99 Ca 0.54 -1.10 -0.29 0.00 -0.52 0.00 0.00 55.73 54.36 1qhb s ARG 99 Cb -0.49 -2.52 0.01 0.00 0.52 0.00 0.00 34.95 32.47 1qhb s ARG 99 CO 0.63 0.39 1.14 0.34 0.02 0.00 0.00 175.30 177.82 1qhb s ASP 100 N -3.83 6.86 0.19 0.23 2.15 0.13 -4.89 116.67 117.51 1qhb s ASP 100 Ca 0.33 1.10 0.10 0.00 0.43 0.00 0.00 52.55 54.51 1qhb s ASP 100 Cb -0.08 -2.54 0.55 0.00 -0.30 0.00 0.00 42.92 40.55 1qhb s ASP 100 CO 0.24 -0.94 1.23 -2.65 -0.17 0.00 0.00 175.17 172.89 1qhb n PRO 101 N 7.00 0.07 -0.12 4.34 -0.02 -1.26 0.13 135.00 145.14 1qhb n PRO 101 Ca 0.13 0.52 -0.22 0.00 -2.02 0.00 0.00 63.50 61.90 1qhb n PRO 101 Cb 0.47 -1.85 -0.08 0.00 -0.02 0.00 0.00 33.50 32.02 1qhb n PRO 101 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1qhb n GLU 102 N -1.84 0.56 0.05 -0.52 4.71 -1.26 -4.57 120.64 117.78 1qhb n GLU 102 Ca -0.01 0.34 -0.04 0.00 -0.01 0.00 0.00 57.16 57.44 1qhb n GLU 102 Cb 0.15 -1.55 -0.09 0.00 -1.01 0.00 0.00 31.44 28.94 1qhb n GLU 102 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 1qhb h THR 103 N -1.00 1.11 0.00 2.62 1.35 -1.98 -3.48 112.91 111.54 1qhb h THR 103 Ca -0.44 -2.74 0.00 0.00 -0.55 0.00 0.00 66.41 62.68 1qhb h THR 103 Cb 1.34 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 70.27 1qhb h THR 103 CO -0.26 0.63 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 1qhb n GLY 104 N 1.38 0.59 3.89 5.82 0.00 0.36 -5.02 105.19 112.20 1qhb n GLY 104 Ca -0.05 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 1qhb n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qhb s LEU 105 N 0.00 4.00 0.37 0.99 1.43 -1.24 -4.62 118.68 119.60 1qhb s LEU 105 Ca 0.00 0.93 -0.27 0.00 -1.03 0.00 0.00 54.13 53.77 1qhb s LEU 105 Cb 0.00 -3.76 -0.09 0.00 0.03 0.00 0.00 46.19 42.36 1qhb s LEU 105 CO 0.00 -0.25 1.27 -2.84 0.23 0.00 0.00 176.35 174.76 1qhb s PRO 106 N -3.50 4.14 -0.40 1.29 0.02 -1.26 0.21 135.00 135.50 1qhb s PRO 106 Ca 0.48 2.10 -0.17 0.00 0.02 0.00 0.00 61.00 63.43 1qhb s PRO 106 Cb -0.11 -2.86 0.01 0.00 0.02 0.00 0.00 34.50 31.56 1qhb s PRO 106 CO 0.28 -0.33 0.42 0.42 -0.33 0.00 0.00 177.00 177.46 1qhb s ILE 107 N -1.25 5.10 0.57 2.83 1.01 -0.27 -4.80 121.20 124.39 1qhb s ILE 107 Ca 0.54 -0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.92 1qhb s ILE 107 Cb -0.37 -3.99 0.02 0.00 0.01 0.00 0.00 42.46 38.13 1qhb s ILE 107 CO 0.48 -0.34 0.84 0.26 0.00 0.00 0.00 174.94 176.17 1qhb s TRP 108 N 2.12 3.11 -0.01 3.97 0.52 -1.26 -4.67 118.94 122.72 1qhb s TRP 108 Ca 0.12 0.38 -0.04 0.00 0.02 0.00 0.00 56.10 56.58 1qhb s TRP 108 Cb -0.17 -2.71 -0.28 0.00 -1.15 0.00 0.00 33.47 29.16 1qhb s TRP 108 CO 0.13 -0.81 0.81 0.00 0.02 0.00 0.00 176.95 177.10 1qhb h ARG 109 N -0.05 0.27 -6.57 4.98 3.08 -1.97 -3.46 114.38 110.66 1qhb h ARG 109 Ca -0.45 -0.47 -0.52 0.00 0.07 0.00 0.00 59.98 58.62 1qhb h ARG 109 Cb 1.27 0.17 -0.03 0.00 0.08 0.00 0.00 29.97 31.47 1qhb h ARG 109 CO 0.58 1.14 0.04 -1.54 -1.07 0.00 0.00 179.97 179.12 1qhb s SER 110 N -7.02 6.85 0.21 7.04 1.04 -1.26 -4.97 113.70 115.58 1qhb s SER 110 Ca -0.10 1.24 -0.09 0.00 0.48 0.00 0.00 55.95 57.48 1qhb s SER 110 Cb 0.07 -2.35 0.14 0.00 0.10 0.00 0.00 66.02 63.98 1qhb s SER 110 CO 0.85 -0.06 1.78 0.44 0.98 0.00 0.00 173.24 177.23 1qhb h ASP 111 N 2.88 1.04 -0.10 7.02 3.32 -1.96 -1.87 116.42 126.75 1qhb h ASP 111 Ca -0.48 -0.16 0.04 0.00 0.02 0.00 0.00 57.03 56.45 1qhb h ASP 111 Cb 1.18 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 40.42 1qhb h ASP 111 CO 0.66 0.91 -0.19 0.25 -1.72 0.00 0.00 179.24 179.15 1qhb h LEU 112 N 1.09 -0.57 -0.76 1.55 5.85 -1.96 0.33 115.31 120.84 1qhb h LEU 112 Ca 0.26 0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.98 1qhb h LEU 112 Cb 0.19 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1qhb h LEU 112 CO -0.02 -0.24 -0.05 0.00 -0.34 0.00 0.00 178.44 177.79 1qhb h ALA 113 N 0.74 0.96 -0.35 1.25 0.00 -1.91 -2.65 119.26 117.29 1qhb h ALA 113 Ca 0.09 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1qhb h ALA 113 Cb 0.38 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1qhb h ALA 113 CO -0.25 0.62 -0.27 -0.91 0.00 0.00 0.00 179.25 178.44 1qhb h ASN 114 N 0.82 0.85 0.19 0.00 2.35 -0.91 -2.62 115.58 116.27 1qhb h ASN 114 Ca 0.14 -0.44 -0.01 0.00 -0.55 0.00 0.00 56.30 55.44 1qhb h ASN 114 Cb 0.55 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 1qhb h ASN 114 CO 0.03 1.12 -0.04 0.77 -1.65 0.00 0.00 177.43 177.66 1qhb h SER 115 N 0.60 0.00 0.19 5.81 4.64 -0.22 -1.32 113.55 123.24 1qhb h SER 115 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1qhb h SER 115 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1qhb h SER 115 CO 0.07 0.04 -0.68 0.18 -0.87 0.00 0.00 176.83 175.58 1qhb n LEU 116 N -3.55 0.98 -3.17 5.97 4.77 -1.01 -4.97 117.00 116.03 1qhb n LEU 116 Ca -0.02 -0.35 -0.21 0.00 -0.03 0.00 0.00 56.01 55.40 1qhb n LEU 116 Cb 0.15 -0.10 0.07 0.00 -2.33 0.00 0.00 43.42 41.21 1qhb n LEU 116 CO 0.27 0.22 0.20 0.47 -1.33 0.00 0.00 177.39 177.22 1qhb n ASP 117 N -1.20 -5.83 -4.76 -1.43 8.00 -0.50 -4.90 116.55 105.94 1qhb n ASP 117 Ca 0.06 -0.46 -0.38 0.00 0.71 0.00 0.00 54.79 54.72 1qhb n ASP 117 Cb 0.35 -4.46 0.03 0.00 -0.02 0.00 0.00 41.12 37.02 1qhb n ASP 117 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qhb s LEU 118 N -6.47 3.91 0.58 0.64 1.43 -1.10 -5.02 118.68 112.65 1qhb s LEU 118 Ca 0.50 2.70 0.09 0.00 -1.03 0.00 0.00 54.13 56.38 1qhb s LEU 118 Cb -0.22 -4.22 0.08 0.00 0.03 0.00 0.00 46.19 41.85 1qhb s LEU 118 CO 0.62 -1.40 0.69 -1.61 0.23 0.00 0.00 176.35 174.88 1qhb s GLU 119 N -2.81 2.26 0.29 1.70 0.41 -1.26 -4.56 118.70 114.73 1qhb s GLU 119 Ca 0.69 -1.78 -0.10 0.00 -0.41 0.00 0.00 54.97 53.37 1qhb s GLU 119 Cb -0.39 -2.48 -0.07 0.00 -1.78 0.00 0.00 34.13 29.42 1qhb s GLU 119 CO 0.46 -0.83 0.62 0.14 -0.49 0.00 0.00 175.26 175.16 1qhb s VAL 120 N -2.72 4.88 0.16 2.63 -7.23 -1.26 -0.86 120.40 116.01 1qhb s VAL 120 Ca 0.54 0.48 0.09 0.00 -1.81 0.00 0.00 61.98 61.28 1qhb s VAL 120 Cb -0.05 -3.67 -0.04 0.00 0.56 0.00 0.00 36.38 33.19 1qhb s VAL 120 CO 0.34 -0.24 -0.13 0.00 -0.31 0.00 0.00 175.10 174.76 1qhb s ARG 121 N -3.22 1.94 0.34 4.82 1.70 -0.92 -4.80 118.95 118.81 1qhb s ARG 121 Ca 0.48 -1.26 0.07 0.00 -0.47 0.00 0.00 55.73 54.56 1qhb s ARG 121 Cb -0.11 -2.13 -0.02 0.00 -0.57 0.00 0.00 34.95 32.12 1qhb s ARG 121 CO 0.25 0.45 0.31 0.20 -1.08 0.00 0.00 175.30 175.43 1qhb s GLY 122 N -2.61 1.79 0.42 3.88 0.00 -1.26 -4.89 107.32 104.65 1qhb s GLY 122 Ca 0.23 -1.65 -0.25 0.00 0.00 0.00 0.00 44.72 43.04 1qhb s GLY 122 CO 0.13 -1.57 1.30 -0.98 0.00 0.00 0.00 173.10 171.98 1qhb s TRP 123 N -2.31 2.78 -0.39 1.90 0.51 -1.26 -4.82 118.94 115.35 1qhb s TRP 123 Ca 0.42 1.41 -0.19 0.00 -2.12 0.00 0.00 56.10 55.62 1qhb s TRP 123 Cb -0.06 -3.66 0.01 0.00 -0.81 0.00 0.00 33.47 28.95 1qhb s TRP 123 CO 0.27 -2.13 0.55 -1.21 -0.51 0.00 0.00 176.95 173.93 1qhb s GLU 124 N -2.32 3.40 -1.12 4.98 2.02 -1.12 -4.54 118.70 120.00 1qhb s GLU 124 Ca 0.58 -0.34 -0.23 0.00 0.02 0.00 0.00 54.97 55.01 1qhb s GLU 124 Cb -0.38 -3.89 0.01 0.00 0.10 0.00 0.00 34.13 29.97 1qhb s GLU 124 CO 0.48 -0.82 0.75 0.09 0.02 0.00 0.00 175.26 175.78 1qhb n ASN 125 N 5.92 -5.06 0.04 -0.19 5.03 -1.26 -4.84 115.26 114.90 1qhb n ASN 125 Ca -0.04 -1.06 0.09 0.00 0.87 0.00 0.00 54.58 54.44 1qhb n ASN 125 Cb 0.48 -2.81 0.39 0.00 -1.02 0.00 0.00 39.78 36.82 1qhb n ASN 125 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1qhb n SER 126 N -2.48 0.23 -0.09 6.41 3.41 -1.26 -2.86 113.62 116.98 1qhb n SER 126 Ca -0.11 0.55 0.10 0.00 -0.26 0.00 0.00 58.87 59.15 1qhb n SER 126 Cb 0.59 -0.60 0.14 0.00 -0.26 0.00 0.00 64.21 64.08 1qhb n SER 126 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1qhb n SER 127 N -1.75 2.36 0.25 4.04 7.64 -1.26 -4.72 113.62 120.18 1qhb n SER 127 Ca 0.03 -3.10 0.17 0.00 1.01 0.00 0.00 58.87 56.99 1qhb n SER 127 Cb 0.20 -0.43 0.89 0.00 -1.01 0.00 0.00 64.21 63.86 1qhb n SER 127 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qhb h ALA 128 N 0.03 1.00 0.00 -0.43 0.00 -1.89 -0.35 119.26 117.62 1qhb h ALA 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qhb h ALA 128 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1qhb h ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1qhb n GLY 129 N -0.98 -1.25 0.01 0.00 0.00 -1.26 -2.56 105.19 99.15 1qhb n GLY 129 Ca -0.02 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1qhb n GLY 129 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qhb n LEU 130 N -1.41 0.45 -4.73 0.99 4.77 -0.14 -4.64 117.00 112.29 1qhb n LEU 130 Ca 0.09 0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.77 1qhb n LEU 130 Cb 0.25 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 1qhb n LEU 130 CO 0.21 0.08 0.78 -0.89 -1.33 0.00 0.00 177.39 176.24 1qhb s THR 131 N -3.03 4.01 0.86 -5.08 2.01 -1.06 -5.05 115.64 108.30 1qhb s THR 131 Ca 0.11 1.69 -0.13 0.00 0.31 0.00 0.00 61.69 63.67 1qhb s THR 131 Cb 0.17 -4.08 0.19 0.00 0.01 0.00 0.00 72.50 68.80 1qhb s THR 131 CO 0.67 0.27 1.17 0.49 -0.69 0.00 0.00 174.62 176.53 1qhb n PHE 132 N 2.61 -3.84 -3.67 4.92 3.72 -1.26 -4.66 117.46 115.28 1qhb n PHE 132 Ca 0.03 -1.16 -0.14 0.00 -0.05 0.00 0.00 57.45 56.14 1qhb n PHE 132 Cb 0.47 -0.89 -0.07 0.00 -0.94 0.00 0.00 39.48 38.04 1qhb n PHE 132 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1qhb s ASP 133 N -5.32 -0.32 0.00 4.37 -1.08 -1.26 -5.05 116.67 108.01 1qhb s ASP 133 Ca 0.67 0.15 0.27 0.00 -0.52 0.00 0.00 52.55 53.13 1qhb s ASP 133 Cb -0.02 0.41 1.20 0.00 -1.46 0.00 0.00 42.92 43.05 1qhb s ASP 133 CO 0.47 -0.59 1.89 0.18 0.52 0.00 0.00 175.17 177.64 1qhb n LEU 134 N 0.81 0.00 -3.85 -1.34 4.77 -1.26 -4.86 117.00 111.27 1qhb n LEU 134 Ca -0.20 0.48 -0.09 0.00 -0.03 0.00 0.00 56.01 56.17 1qhb n LEU 134 Cb 0.58 -0.48 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 1qhb n LEU 134 CO 0.21 -0.03 -0.10 -1.83 -1.33 0.00 0.00 177.39 174.32 1qhb s GLU 135 N -2.95 0.79 0.08 3.23 -1.05 -1.26 -5.02 118.70 112.51 1qhb s GLU 135 Ca 0.15 -0.84 0.00 0.00 -0.15 0.00 0.00 54.97 54.13 1qhb s GLU 135 Cb 0.18 0.32 0.00 0.00 -0.44 0.00 0.00 34.13 34.19 1qhb s GLU 135 CO 0.49 -0.24 0.00 0.41 0.95 0.00 0.00 175.26 176.87 1qhb n GLY 136 N 0.22 -1.67 3.77 -3.83 0.00 -1.26 -4.87 105.19 97.55 1qhb n GLY 136 Ca -0.16 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 1qhb n GLY 136 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1qhb n PRO 137 N -2.13 2.71 -1.74 1.61 -0.02 -1.26 -4.94 135.00 129.22 1qhb n PRO 137 Ca -0.00 0.95 -0.39 0.00 -2.02 0.00 0.00 63.50 62.04 1qhb n PRO 137 Cb 0.13 -2.70 0.04 0.00 -0.02 0.00 0.00 33.50 30.95 1qhb n PRO 137 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1qhb n ASP 138 N 0.92 2.73 -0.20 2.55 2.03 -1.26 -4.87 116.55 118.46 1qhb n ASP 138 Ca 0.03 0.99 0.17 0.00 0.52 0.00 0.00 54.79 56.49 1qhb n ASP 138 Cb 0.38 -1.58 0.50 0.00 -0.72 0.00 0.00 41.12 39.70 1qhb n ASP 138 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qhb h ALA 139 N 1.49 2.13 -0.36 -1.67 0.00 -1.90 -1.23 119.26 117.73 1qhb h ALA 139 Ca -0.51 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1qhb h ALA 139 Cb 1.30 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1qhb h ALA 139 CO 0.57 -0.37 0.00 1.04 0.00 0.00 0.00 179.25 180.50 1qhb n GLN 140 N -4.50 2.14 0.02 0.00 6.02 -1.26 -4.22 117.38 115.60 1qhb n GLN 140 Ca 0.16 -1.74 0.12 0.00 -0.01 0.00 0.00 57.00 55.53 1qhb n GLN 140 Cb 0.59 -1.44 0.19 0.00 1.02 0.00 0.00 30.24 30.60 1qhb n GLN 140 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1qhb n SER 141 N 0.94 0.59 -4.74 1.08 3.41 -0.46 -4.72 113.62 109.71 1qhb n SER 141 Ca 0.18 -0.12 -0.24 0.00 -0.26 0.00 0.00 58.87 58.43 1qhb n SER 141 Cb 0.46 0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 64.65 1qhb n SER 141 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1qhb s VAL 142 N -3.09 2.70 0.05 -3.33 -7.23 -1.26 -1.32 120.40 106.92 1qhb s VAL 142 Ca 0.08 -1.69 -0.03 0.00 -1.81 0.00 0.00 61.98 58.53 1qhb s VAL 142 Cb 0.16 -2.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.10 1qhb s VAL 142 CO 0.72 -0.10 0.03 0.00 -0.31 0.00 0.00 175.10 175.44 1qhb s ALA 143 N -2.50 0.21 0.06 1.32 0.00 -1.26 -4.87 121.76 114.72 1qhb s ALA 143 Ca 0.40 -0.87 0.07 0.00 0.00 0.00 0.00 51.96 51.55 1qhb s ALA 143 Cb -0.00 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 1qhb s ALA 143 CO 0.23 -0.34 -0.15 -1.64 0.00 0.00 0.00 175.76 173.86 1qhb s MET 144 N -3.18 2.10 0.80 0.00 -1.94 -1.26 -4.94 119.30 110.89 1qhb s MET 144 Ca -0.00 -0.98 -0.11 0.00 -1.71 0.00 0.00 55.69 52.88 1qhb s MET 144 Cb 0.02 -2.24 0.07 0.00 2.01 0.00 0.00 34.83 34.69 1qhb s MET 144 CO -0.07 0.53 1.09 -1.25 -0.01 0.00 0.00 175.02 175.31 1qhb s PRO 145 N -1.68 2.06 0.41 2.03 0.04 -1.26 -4.49 135.00 132.12 1qhb s PRO 145 Ca 0.17 0.79 -0.25 0.00 0.04 0.00 0.00 61.00 61.75 1qhb s PRO 145 Cb -0.11 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.42 1qhb s PRO 145 CO 0.08 -1.67 1.06 -2.30 0.04 0.00 0.00 177.00 174.20 1qhb n PRO 146 N -3.49 1.46 -1.94 0.56 -0.02 -1.22 -4.97 135.00 125.39 1qhb n PRO 146 Ca 0.07 0.52 -0.32 0.00 -2.02 0.00 0.00 63.50 61.76 1qhb n PRO 146 Cb 0.55 -2.09 0.01 0.00 -0.02 0.00 0.00 33.50 31.95 1qhb n PRO 146 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qhb s ALA 147 N -1.25 2.92 0.44 3.55 0.00 -1.26 -4.91 121.76 121.25 1qhb s ALA 147 Ca 0.62 0.10 -0.24 0.00 0.00 0.00 0.00 51.96 52.44 1qhb s ALA 147 Cb -0.56 -3.14 -0.09 0.00 0.00 0.00 0.00 23.12 19.33 1qhb s ALA 147 CO 0.57 -0.75 1.20 -2.30 0.00 0.00 0.00 175.76 174.47 1qhb n PRO 148 N -2.47 1.70 -2.63 0.00 -0.02 -1.26 -4.66 135.00 125.66 1qhb n PRO 148 Ca 0.07 0.61 -0.25 0.00 -2.02 0.00 0.00 63.50 61.91 1qhb n PRO 148 Cb 0.54 -2.30 0.03 0.00 -0.02 0.00 0.00 33.50 31.74 1qhb n PRO 148 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1qhb s VAL 149 N -1.24 3.63 0.47 -1.45 -7.23 -1.26 -4.97 120.40 108.34 1qhb s VAL 149 Ca 0.63 -0.26 0.16 0.00 -1.81 0.00 0.00 61.98 60.70 1qhb s VAL 149 Cb -0.51 -3.40 0.22 0.00 0.56 0.00 0.00 36.38 33.25 1qhb s VAL 149 CO 0.56 -0.35 2.05 -0.07 -0.31 0.00 0.00 175.10 176.98 1qhb h LEU 150 N 0.05 0.00 -3.05 1.32 3.38 -1.96 -2.45 115.31 112.59 1qhb h LEU 150 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1qhb h LEU 150 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1qhb h LEU 150 CO 0.59 0.12 0.00 0.35 0.09 0.00 0.00 178.44 179.59 1qhb n THR 151 N -4.33 2.03 -3.50 0.22 -2.24 -1.26 -4.81 114.28 100.38 1qhb n THR 151 Ca -0.03 -1.15 -0.30 0.00 -2.27 0.00 0.00 64.05 60.31 1qhb n THR 151 Cb 0.20 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.30 1qhb n THR 151 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qhb s SER 152 N -0.78 6.48 0.26 3.42 1.04 -0.92 -4.99 113.70 118.21 1qhb s SER 152 Ca 0.48 0.67 -0.02 0.00 0.48 0.00 0.00 55.95 57.56 1qhb s SER 152 Cb 0.33 -2.12 0.43 0.00 0.10 0.00 0.00 66.02 64.76 1qhb s SER 152 CO 0.19 -0.08 1.86 -0.65 0.98 0.00 0.00 173.24 175.53 1qhb h PRO 153 N 2.20 1.03 -0.60 4.02 0.11 -1.94 -2.38 132.00 134.44 1qhb h PRO 153 Ca -0.47 -0.06 0.07 0.00 0.11 0.00 0.00 66.00 65.65 1qhb h PRO 153 Cb 1.18 -0.23 -0.06 0.00 0.11 0.00 0.00 31.00 32.00 1qhb h PRO 153 CO 0.69 0.68 0.28 1.49 -0.21 0.00 0.00 178.00 180.93 1qhb h GLU 154 N 1.06 0.50 -0.21 1.05 4.81 -1.94 -1.58 114.58 118.27 1qhb h GLU 154 Ca 0.44 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.49 1qhb h GLU 154 Cb 0.26 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1qhb h GLU 154 CO -0.20 0.33 -0.47 1.25 -0.73 0.00 0.00 179.01 179.18 1qhb h LEU 155 N 0.51 0.59 -0.26 1.64 7.12 -1.71 -1.18 115.31 122.03 1qhb h LEU 155 Ca 0.29 -0.28 0.00 0.00 0.13 0.00 0.00 57.88 58.02 1qhb h LEU 155 Cb 0.28 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.23 1qhb h LEU 155 CO -0.24 0.97 0.17 0.40 -0.13 0.00 0.00 178.44 179.61 1qhb h ILE 156 N 0.43 1.06 -0.68 4.05 2.04 -0.93 0.21 117.51 123.69 1qhb h ILE 156 Ca 0.02 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1qhb h ILE 156 Cb 0.99 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 1qhb h ILE 156 CO 0.09 0.06 0.34 0.00 0.00 0.00 0.00 178.15 178.64 1qhb h ALA 157 N 1.10 0.88 -0.65 1.87 0.00 -1.03 -1.64 119.26 119.79 1qhb h ALA 157 Ca 0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1qhb h ALA 157 Cb -0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1qhb h ALA 157 CO -0.02 0.43 0.26 0.93 0.00 0.00 0.00 179.25 180.85 1qhb h GLU 158 N 0.95 0.97 -0.37 0.00 5.08 -0.51 -2.01 114.58 118.69 1qhb h GLU 158 Ca 0.24 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1qhb h GLU 158 Cb 0.10 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1qhb h GLU 158 CO -0.03 0.81 -0.12 0.52 -1.00 0.00 0.00 179.01 179.19 1qhb h MET 159 N 0.91 0.73 -0.66 2.33 2.86 -0.38 -1.97 114.93 118.75 1qhb h MET 159 Ca 0.22 -0.29 0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1qhb h MET 159 Cb 0.21 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.79 1qhb h MET 159 CO -0.02 0.90 0.40 0.00 1.06 0.00 0.00 176.91 179.25 1qhb h ALA 160 N 0.81 0.87 -0.70 6.32 0.00 -1.26 -1.21 119.26 124.09 1qhb h ALA 160 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1qhb h ALA 160 Cb 0.64 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1qhb h ALA 160 CO 0.04 0.14 0.31 1.49 0.00 0.00 0.00 179.25 181.23 1qhb h GLU 161 N 0.78 1.04 -0.45 0.00 4.81 -1.24 -1.84 114.58 117.67 1qhb h GLU 161 Ca 0.27 -0.17 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 1qhb h GLU 161 Cb 0.06 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1qhb h GLU 161 CO -0.12 0.84 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.73 1qhb h LEU 162 N 0.99 0.89 -0.87 1.64 3.38 -0.58 -1.29 115.31 119.48 1qhb h LEU 162 Ca 0.24 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1qhb h LEU 162 Cb 0.17 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1qhb h LEU 162 CO -0.02 1.07 -0.16 1.88 0.09 0.00 0.00 178.44 181.29 1qhb h TYR 163 N 0.77 0.74 -0.03 1.13 0.05 -1.10 -1.56 116.97 116.97 1qhb h TYR 163 Ca 0.11 -0.14 -0.15 0.00 0.05 0.00 0.00 58.73 58.59 1qhb h TYR 163 Cb 0.73 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.27 1qhb h TYR 163 CO 0.04 0.79 -0.68 -0.07 -1.05 0.00 0.00 178.16 177.18 1qhb h LEU 164 N 0.60 0.17 -0.51 3.88 3.38 -1.13 -0.84 115.31 120.87 1qhb h LEU 164 Ca 0.10 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1qhb h LEU 164 Cb 0.61 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1qhb h LEU 164 CO 0.04 0.80 -0.11 0.24 0.09 0.00 0.00 178.44 179.50 1qhb h MET 165 N 0.10 0.97 -0.23 1.13 2.86 -1.06 -0.51 114.93 118.18 1qhb h MET 165 Ca -0.01 -0.36 -0.01 0.00 -2.06 0.00 0.00 59.70 57.26 1qhb h MET 165 Cb 1.22 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 1qhb h MET 165 CO 0.10 1.03 0.12 0.00 1.06 0.00 0.00 176.91 179.22 1qhb h ALA 166 N 0.90 0.30 0.00 6.32 0.00 -0.94 -2.44 119.26 123.40 1qhb h ALA 166 Ca 0.13 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1qhb h ALA 166 Cb 0.67 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1qhb h ALA 166 CO 0.05 -0.16 -0.25 -0.07 0.00 0.00 0.00 179.25 178.82 1qhb h LEU 167 N 0.25 0.00 -3.32 0.00 3.38 -1.03 -2.87 115.31 111.73 1qhb h LEU 167 Ca 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1qhb h LEU 167 Cb 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1qhb h LEU 167 CO -0.01 0.25 0.06 0.61 0.09 0.00 0.00 178.44 179.44 1qhb n GLY 168 N -0.49 2.96 0.26 0.83 0.00 -0.21 -4.66 105.19 103.88 1qhb n GLY 168 Ca -0.02 -0.83 0.10 0.00 0.00 0.00 0.00 46.02 45.27 1qhb n GLY 168 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1qhb h ARG 169 N 3.26 0.00 -0.57 1.61 3.08 -1.21 -2.43 114.38 118.13 1qhb h ARG 169 Ca 0.06 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 1qhb h ARG 169 Cb 1.90 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.92 1qhb h ARG 169 CO 0.49 0.07 0.07 -0.25 -1.07 0.00 0.00 179.97 179.29 1qhb n ASP 170 N -4.12 5.18 -4.81 7.04 8.00 -1.26 -0.63 116.55 125.94 1qhb n ASP 170 Ca -0.03 -3.05 -0.37 0.00 0.71 0.00 0.00 54.79 52.06 1qhb n ASP 170 Cb 0.16 -0.68 -0.06 0.00 -0.02 0.00 0.00 41.12 40.52 1qhb n ASP 170 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1qhb s ILE 171 N -2.86 4.57 0.05 0.53 1.01 -0.92 -4.91 121.20 118.67 1qhb s ILE 171 Ca 0.53 1.32 -0.25 0.00 0.00 0.00 0.00 60.65 62.24 1qhb s ILE 171 Cb 0.41 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 1qhb s ILE 171 CO 0.14 0.28 0.78 -1.61 0.00 0.00 0.00 174.94 174.53 1qhb s GLU 172 N -1.79 4.51 0.27 2.79 2.02 -1.26 -2.55 118.70 122.69 1qhb s GLU 172 Ca 0.41 1.09 0.00 0.00 0.02 0.00 0.00 54.97 56.49 1qhb s GLU 172 Cb -0.18 -3.36 0.59 0.00 0.10 0.00 0.00 34.13 31.28 1qhb s GLU 172 CO 0.21 0.28 1.73 0.74 0.02 0.00 0.00 175.26 178.25 1qhb h PHE 173 N 5.66 0.69 0.00 1.61 0.04 -1.57 -0.35 116.94 123.02 1qhb h PHE 173 Ca -0.44 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.37 1qhb h PHE 173 Cb 1.21 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 39.18 1qhb h PHE 173 CO 0.65 0.08 0.00 0.43 -0.60 0.00 0.00 178.31 178.87 1qhb n SER 174 N -4.95 0.00 -0.42 2.17 7.64 -1.26 -3.31 113.62 113.48 1qhb n SER 174 Ca 0.18 0.26 0.08 0.00 1.01 0.00 0.00 58.87 60.40 1qhb n SER 174 Cb 0.51 -0.38 0.18 0.00 -1.01 0.00 0.00 64.21 63.51 1qhb n SER 174 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1qhb n GLU 175 N -1.38 1.68 -0.27 1.43 1.02 -0.14 -4.71 120.64 118.26 1qhb n GLU 175 Ca 0.06 -2.83 -0.02 0.00 -0.02 0.00 0.00 57.16 54.36 1qhb n GLU 175 Cb 0.16 -1.61 0.16 0.00 -0.02 0.00 0.00 31.44 30.13 1qhb n GLU 175 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1qhb h PHE 176 N 0.60 1.09 -0.63 -0.32 -1.00 -1.57 -2.09 116.94 113.02 1qhb h PHE 176 Ca 0.02 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1qhb h PHE 176 Cb 1.14 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 40.34 1qhb h PHE 176 CO 0.33 0.73 0.00 -3.47 -1.61 0.00 0.00 178.31 174.29 1qhb n ASP 177 N -4.36 4.08 -4.82 2.17 -0.08 -1.26 -4.80 116.55 107.47 1qhb n ASP 177 Ca 0.09 -2.23 -0.34 0.00 -1.51 0.00 0.00 54.79 50.79 1qhb n ASP 177 Cb 0.07 -0.51 -0.06 0.00 2.34 0.00 0.00 41.12 42.96 1qhb n ASP 177 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1qhb s SER 178 N -0.92 6.98 0.46 1.67 0.15 -0.79 -4.97 113.70 116.28 1qhb s SER 178 Ca 0.46 1.49 0.14 0.00 0.70 0.00 0.00 55.95 58.75 1qhb s SER 178 Cb 0.27 -2.45 1.09 0.00 -1.71 0.00 0.00 66.02 63.22 1qhb s SER 178 CO 0.26 -0.14 2.03 -0.65 1.20 0.00 0.00 173.24 175.94 1qhb h PRO 179 N 2.67 0.30 0.00 5.44 0.11 -1.93 -0.46 132.00 138.13 1qhb h PRO 179 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1qhb h PRO 179 Cb 1.18 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1qhb h PRO 179 CO 0.64 0.20 -0.01 1.57 -0.21 0.00 0.00 178.00 180.19 1qhb h LYS 180 N 0.31 0.00 -0.04 1.05 2.10 -1.93 -2.52 116.57 115.54 1qhb h LYS 180 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 1qhb h LYS 180 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 1qhb h LYS 180 CO -0.04 0.01 0.00 0.09 -2.00 0.00 0.00 179.45 177.51 1qhb n ASN 181 N -3.14 2.10 -0.28 7.07 3.02 -0.21 -4.72 115.26 119.09 1qhb n ASN 181 Ca -0.01 -1.55 0.07 0.00 -0.03 0.00 0.00 54.58 53.06 1qhb n ASN 181 Cb 0.19 -0.02 0.21 0.00 -0.61 0.00 0.00 39.78 39.56 1qhb n ASN 181 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qhb h ALA 182 N 2.43 1.21 -0.57 5.41 0.00 -1.10 -0.11 119.26 126.54 1qhb h ALA 182 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1qhb h ALA 182 Cb 0.53 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1qhb h ALA 182 CO 0.00 -0.13 0.37 0.00 0.00 0.00 0.00 179.25 179.50 1qhb h ALA 183 N 1.55 0.72 0.09 0.00 0.00 -1.84 -1.02 119.26 118.76 1qhb h ALA 183 Ca 0.45 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1qhb h ALA 183 Cb 0.65 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1qhb h ALA 183 CO -0.37 0.15 -0.04 0.35 0.00 0.00 0.00 179.25 179.34 1qhb h PHE 184 N 0.76 -0.11 -0.08 0.00 3.57 -1.73 -2.77 116.94 116.58 1qhb h PHE 184 Ca 0.21 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.73 1qhb h PHE 184 Cb -0.08 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1qhb h PHE 184 CO -0.04 0.38 -0.08 0.82 -2.23 0.00 0.00 178.31 177.16 1qhb h ILE 185 N -0.68 0.77 -0.55 1.41 1.08 -1.00 -0.38 117.51 118.15 1qhb h ILE 185 Ca -0.01 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.39 1qhb h ILE 185 Cb 0.54 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 35.03 1qhb h ILE 185 CO 0.02 0.00 0.05 0.03 -0.69 0.00 0.00 178.15 177.56 1qhb h ARG 186 N -0.10 0.91 -0.39 2.37 2.47 -1.31 -1.15 114.38 117.17 1qhb h ARG 186 Ca 0.06 -0.24 -0.07 0.00 -1.26 0.00 0.00 59.98 58.48 1qhb h ARG 186 Cb 0.19 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 1qhb h ARG 186 CO -0.14 0.87 -0.04 1.03 0.56 0.00 0.00 179.97 182.24 1qhb h SER 187 N 0.85 0.62 -0.09 7.04 0.87 -1.17 -1.58 113.55 120.09 1qhb h SER 187 Ca 0.17 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1qhb h SER 187 Cb 0.43 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1qhb h SER 187 CO 0.01 0.72 0.01 0.00 -0.53 0.00 0.00 176.83 177.04 1qhb h ALA 188 N 1.35 0.12 -0.58 6.23 0.00 -0.72 -0.62 119.26 125.04 1qhb h ALA 188 Ca 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1qhb h ALA 188 Cb 0.44 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1qhb h ALA 188 CO 0.02 -0.23 0.34 0.82 0.00 0.00 0.00 179.25 180.20 1qhb h ILE 189 N -0.10 1.18 -0.23 0.00 2.04 -1.03 -2.20 117.51 117.17 1qhb h ILE 189 Ca 0.03 -0.43 -0.18 0.00 1.00 0.00 0.00 64.86 65.27 1qhb h ILE 189 Cb 0.29 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1qhb h ILE 189 CO 0.00 0.19 -0.58 -0.33 0.00 0.00 0.00 178.15 177.43 1qhb h GLU 190 N 0.79 0.75 -0.07 2.37 5.08 -1.26 -1.39 114.58 120.84 1qhb h GLU 190 Ca 0.21 -0.49 -0.09 0.00 -1.00 0.00 0.00 59.36 57.99 1qhb h GLU 190 Cb 0.01 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1qhb h GLU 190 CO -0.04 1.12 -0.36 0.00 -1.00 0.00 0.00 179.01 178.73 1qhb h ARG 191 N 0.57 0.14 -0.01 2.33 3.08 -0.98 -0.86 114.38 118.65 1qhb h ARG 191 Ca 0.00 -0.06 -0.26 0.00 0.07 0.00 0.00 59.98 59.74 1qhb h ARG 191 Cb 1.17 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 31.23 1qhb h ARG 191 CO 0.12 0.49 -1.00 -0.07 -1.07 0.00 0.00 179.97 178.44 1qhb h LEU 192 N 0.12 0.83 -0.24 3.04 3.38 -1.37 -2.75 115.31 118.33 1qhb h LEU 192 Ca 0.01 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1qhb h LEU 192 Cb 0.70 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1qhb h LEU 192 CO 0.05 1.46 0.00 0.59 0.09 0.00 0.00 178.44 180.63 1qhb n ASN 193 N -3.84 0.23 -0.24 -0.43 3.02 -0.53 -0.94 115.26 112.53 1qhb n ASN 193 Ca -0.10 0.56 0.13 0.00 -0.03 0.00 0.00 54.58 55.14 1qhb n ASN 193 Cb 0.86 -0.60 0.65 0.00 -0.61 0.00 0.00 39.78 40.08 1qhb n ASN 193 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qhb n GLY 194 N -0.01 -0.48 3.88 7.41 0.00 -0.35 -4.46 105.19 111.17 1qhb n GLY 194 Ca 0.03 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 1qhb n GLY 194 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qhb s LEU 195 N -1.86 4.39 0.28 0.99 1.43 -0.12 -4.99 118.68 118.80 1qhb s LEU 195 Ca 0.39 0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.98 1qhb s LEU 195 Cb 0.19 -2.07 0.58 0.00 0.03 0.00 0.00 46.19 44.92 1qhb s LEU 195 CO 0.32 0.41 1.81 -0.08 0.23 0.00 0.00 176.35 179.03 1qhb h GLU 196 N 4.98 0.85 -0.58 1.70 4.81 -1.88 -0.68 114.58 123.78 1qhb h GLU 196 Ca -0.55 -0.05 0.11 0.00 -0.13 0.00 0.00 59.36 58.74 1qhb h GLU 196 Cb 1.23 -0.19 -0.09 0.00 0.63 0.00 0.00 28.75 30.33 1qhb h GLU 196 CO 0.58 0.56 0.10 2.35 -0.73 0.00 0.00 179.01 181.87 1qhb h TRP 197 N 0.88 0.14 0.06 0.92 2.91 -1.85 -2.24 115.95 116.77 1qhb h TRP 197 Ca 0.50 0.04 -0.29 0.00 1.13 0.00 0.00 58.89 60.27 1qhb h TRP 197 Cb 0.60 0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 29.25 1qhb h TRP 197 CO -0.02 -0.06 -1.51 0.74 -1.03 0.00 0.00 178.44 176.57 1qhb h PHE 198 N 0.22 0.25 -0.14 2.65 0.04 -1.58 -3.37 116.94 115.01 1qhb h PHE 198 Ca 0.30 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1qhb h PHE 198 Cb 0.46 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.60 1qhb h PHE 198 CO -0.27 1.23 0.00 0.27 -0.60 0.00 0.00 178.31 178.95 1qhb n ASN 199 N -3.33 2.35 -3.98 2.17 0.23 -0.32 -3.07 115.26 109.31 1qhb n ASN 199 Ca -0.14 -1.79 -0.20 0.00 -0.53 0.00 0.00 54.58 51.92 1qhb n ASN 199 Cb 1.03 -0.08 -0.15 0.00 -2.08 0.00 0.00 39.78 38.49 1qhb n ASN 199 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1qhb s THR 200 N -1.84 0.69 0.77 5.53 2.01 -0.85 -5.02 115.64 116.93 1qhb s THR 200 Ca 0.34 -0.31 -0.11 0.00 0.31 0.00 0.00 61.69 61.92 1qhb s THR 200 Cb 0.20 -0.62 0.05 0.00 0.01 0.00 0.00 72.50 72.14 1qhb s THR 200 CO 0.30 0.22 1.10 -2.16 -0.69 0.00 0.00 174.62 173.39 1qhb s PRO 201 N 0.22 2.32 1.03 4.92 0.04 -1.26 -4.75 135.00 137.52 1qhb s PRO 201 Ca -0.03 0.60 -0.11 0.00 0.04 0.00 0.00 61.00 61.50 1qhb s PRO 201 Cb -0.08 -1.95 0.21 0.00 0.04 0.00 0.00 34.50 32.72 1qhb s PRO 201 CO 0.00 -1.45 1.08 0.00 0.04 0.00 0.00 177.00 176.68 1qhb s ALA 202 N -3.21 0.54 0.14 8.56 0.00 -1.26 -5.04 121.76 121.50 1qhb s ALA 202 Ca 0.60 0.19 0.10 0.00 0.00 0.00 0.00 51.96 52.85 1qhb s ALA 202 Cb -0.13 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 1qhb s ALA 202 CO 0.54 -3.24 -0.23 0.21 0.00 0.00 0.00 175.76 173.04 1qhb s LYS 203 N -4.59 1.58 0.16 0.00 2.20 -1.26 -5.06 119.74 112.77 1qhb s LYS 203 Ca 0.67 -1.32 -0.34 0.00 -0.36 0.00 0.00 55.97 54.62 1qhb s LYS 203 Cb -0.23 -1.97 -0.14 0.00 -1.51 0.00 0.00 37.83 33.97 1qhb s LYS 203 CO 0.61 0.45 1.51 -0.11 -0.36 0.00 0.00 175.35 177.45 1qhb n LEU 204 N 0.71 2.82 0.00 5.43 7.94 -1.26 -0.88 117.00 131.76 1qhb n LEU 204 Ca -0.16 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.84 1qhb n LEU 204 Cb 0.54 -1.38 0.00 0.00 0.53 0.00 0.00 43.42 43.10 1qhb n LEU 204 CO 0.27 -0.45 0.00 0.61 -1.11 0.00 0.00 177.39 176.70 1qhb n GLY 205 N 3.12 2.45 3.80 -3.96 0.00 -1.26 -5.07 105.19 104.27 1qhb n GLY 205 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1qhb n GLY 205 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qhb s ASP 206 N -0.95 5.55 0.30 1.61 1.01 -0.06 -4.95 116.67 119.19 1qhb s ASP 206 Ca 0.00 1.84 -0.30 0.00 0.71 0.00 0.00 52.55 54.80 1qhb s ASP 206 Cb 0.00 -2.53 -0.12 0.00 1.01 0.00 0.00 42.92 41.28 1qhb s ASP 206 CO 0.00 -1.32 1.58 -2.65 0.21 0.00 0.00 175.17 172.99 1qhb n PRO 207 N -2.27 2.68 -0.20 8.23 -0.02 -1.26 -4.86 135.00 137.31 1qhb n PRO 207 Ca 0.09 0.95 0.14 0.00 -2.02 0.00 0.00 63.50 62.66 1qhb n PRO 207 Cb 0.53 -2.73 0.45 0.00 -0.02 0.00 0.00 33.50 31.73 1qhb n PRO 207 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1qhb h PRO 208 N 4.56 0.51 -0.54 0.52 0.11 -1.99 -1.12 132.00 134.05 1qhb h PRO 208 Ca -0.47 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 1qhb h PRO 208 Cb 1.23 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1qhb h PRO 208 CO 0.77 0.34 0.02 0.00 -0.21 0.00 0.00 178.00 178.92 1qhb h ALA 209 N 1.63 1.02 -0.35 -0.75 0.00 -1.99 -0.96 119.26 117.86 1qhb h ALA 209 Ca 0.39 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1qhb h ALA 209 Cb 0.77 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1qhb h ALA 209 CO -0.14 0.61 -0.03 0.93 0.00 0.00 0.00 179.25 180.61 1qhb h GLU 210 N 0.84 0.64 -0.85 0.00 5.08 -1.60 -2.62 114.58 116.07 1qhb h GLU 210 Ca 0.16 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1qhb h GLU 210 Cb 0.47 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1qhb h GLU 210 CO 0.02 0.77 0.54 0.82 -1.00 0.00 0.00 179.01 180.16 1qhb h ILE 211 N 0.44 1.23 -0.19 3.13 2.04 -1.17 -0.39 117.51 122.59 1qhb h ILE 211 Ca 0.10 -0.45 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 1qhb h ILE 211 Cb 0.50 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1qhb h ILE 211 CO 0.02 0.23 -0.25 -0.09 0.00 0.00 0.00 178.15 178.06 1qhb h ARG 212 N 1.16 0.35 -0.03 2.37 2.43 -0.99 -3.11 114.38 116.57 1qhb h ARG 212 Ca 0.31 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1qhb h ARG 212 Cb -0.09 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1qhb h ARG 212 CO -0.06 0.58 -0.02 2.89 -1.51 0.00 0.00 179.97 181.84 1qhb n ARG 213 N -4.14 2.19 -2.12 0.20 1.85 -1.00 -4.96 116.66 108.68 1qhb n ARG 213 Ca -0.01 -1.85 -0.41 0.00 -1.00 0.00 0.00 57.85 54.59 1qhb n ARG 213 Cb 0.38 -1.45 -0.02 0.00 -1.05 0.00 0.00 32.46 30.32 1qhb n ARG 213 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1qhb s ARG 214 N -1.98 4.34 0.21 2.89 3.52 -0.19 -5.02 118.95 122.73 1qhb s ARG 214 Ca 0.27 2.19 0.07 0.00 -0.13 0.00 0.00 55.73 58.13 1qhb s ARG 214 Cb 0.19 -3.12 -0.04 0.00 -1.56 0.00 0.00 34.95 30.42 1qhb s ARG 214 CO 0.31 -0.27 0.07 1.03 -0.81 0.00 0.00 175.30 175.62 1qhb s ARG 215 N -0.86 2.58 0.00 5.12 0.52 -1.26 -5.03 118.95 120.02 1qhb s ARG 215 Ca 0.54 -1.11 0.00 0.00 -0.52 0.00 0.00 55.73 54.64 1qhb s ARG 215 Cb -0.39 -2.41 0.00 0.00 0.52 0.00 0.00 34.95 32.66 1qhb s ARG 215 CO 0.45 0.43 0.00 0.41 0.02 0.00 0.00 175.30 176.61 1qhb n GLY 216 N -0.54 2.09 3.61 -3.53 0.00 -1.26 -4.24 105.19 101.32 1qhb n GLY 216 Ca -0.08 -1.95 -0.56 0.00 0.00 0.00 0.00 46.02 43.43 1qhb n GLY 216 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qhb n GLU 217 N 0.00 0.83 -3.03 1.61 2.13 -1.18 -4.78 120.64 116.23 1qhb n GLU 217 Ca 0.00 0.30 -0.40 0.00 0.66 0.00 0.00 57.16 57.73 1qhb n GLU 217 Cb 0.00 -1.91 -0.05 0.00 0.27 0.00 0.00 31.44 29.74 1qhb n GLU 217 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1qhb s VAL 218 N 1.18 4.65 0.30 6.31 1.01 -1.26 -5.01 120.40 127.57 1qhb s VAL 218 Ca 0.90 1.58 0.02 0.00 0.00 0.00 0.00 61.98 64.48 1qhb s VAL 218 Cb -1.08 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 31.17 1qhb s VAL 218 CO 0.55 0.43 0.12 0.42 0.00 0.00 0.00 175.10 176.62 1qhb s THR 219 N -0.45 0.56 0.36 3.92 -4.23 -1.26 -4.95 115.64 109.59 1qhb s THR 219 Ca 0.36 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.93 1qhb s THR 219 Cb -0.21 -2.59 0.17 0.00 1.34 0.00 0.00 72.50 71.21 1qhb s THR 219 CO 0.23 0.00 1.90 0.58 -0.54 0.00 0.00 174.62 176.79 1qhb h VAL 220 N 2.24 1.18 0.00 2.29 2.07 -1.96 -1.19 116.25 120.87 1qhb h VAL 220 Ca -0.37 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.39 1qhb h VAL 220 Cb 1.25 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1qhb h VAL 220 CO 0.58 0.25 -0.12 1.23 0.02 0.00 0.00 177.57 179.54 1qhb h GLY 221 N 0.78 0.00 0.00 2.17 0.00 -1.98 -3.18 103.07 100.85 1qhb h GLY 221 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1qhb h GLY 221 CO 0.01 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.71 1qhb n ASN 222 N -3.67 1.07 -4.68 0.19 0.23 -1.02 -4.92 115.26 102.47 1qhb n ASN 222 Ca -0.02 -1.20 -0.42 0.00 -0.53 0.00 0.00 54.58 52.41 1qhb n ASN 222 Cb 0.23 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.90 1qhb n ASN 222 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1qhb n LEU 223 N -0.10 4.12 -1.41 -4.53 7.94 -0.48 -2.02 117.00 120.52 1qhb n LEU 223 Ca 0.00 0.95 -0.17 0.00 -1.11 0.00 0.00 56.01 55.68 1qhb n LEU 223 Cb 0.09 -1.54 -0.06 0.00 0.53 0.00 0.00 43.42 42.44 1qhb n LEU 223 CO 0.00 0.20 -0.17 0.49 -1.11 0.00 0.00 177.39 176.80 1qhb n PHE 224 N 6.56 -0.16 -3.75 1.96 3.72 -1.26 -5.00 117.46 119.53 1qhb n PHE 224 Ca 0.19 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.39 1qhb n PHE 224 Cb 0.39 -3.00 -0.02 0.00 -0.94 0.00 0.00 39.48 35.91 1qhb n PHE 224 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1qhb s ARG 225 N -3.70 3.05 0.69 -1.08 0.52 -0.85 -5.03 118.95 112.54 1qhb s ARG 225 Ca 0.00 -1.04 -0.03 0.00 -0.52 0.00 0.00 55.73 54.13 1qhb s ARG 225 Cb 0.00 -2.71 0.14 0.00 0.52 0.00 0.00 34.95 32.91 1qhb s ARG 225 CO 0.00 0.19 0.94 0.41 0.02 0.00 0.00 175.30 176.86 1qhb n GLY 226 N -1.46 0.17 0.23 -3.53 0.00 -1.26 -5.05 105.19 94.29 1qhb n GLY 226 Ca -0.03 -1.95 0.04 0.00 0.00 0.00 0.00 46.02 44.08 1qhb n GLY 226 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1qhb n ILE 227 N -2.89 1.34 -2.04 -0.61 -5.35 -1.26 -4.68 119.36 103.87 1qhb n ILE 227 Ca 0.14 -1.39 -0.38 0.00 -0.27 0.00 0.00 62.75 60.85 1qhb n ILE 227 Cb 0.51 0.25 0.01 0.00 -1.74 0.00 0.00 39.64 38.67 1qhb n ILE 227 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1qhb s LEU 228 N -1.63 4.04 0.09 7.28 1.43 -1.26 -4.91 118.68 123.72 1qhb s LEU 228 Ca 0.16 2.58 -0.33 0.00 -1.03 0.00 0.00 54.13 55.51 1qhb s LEU 228 Cb 0.12 -4.12 -0.12 0.00 0.03 0.00 0.00 46.19 42.10 1qhb s LEU 228 CO 0.05 -1.08 1.73 -2.65 0.23 0.00 0.00 176.35 174.63 1qhb n PRO 229 N -0.40 2.37 0.00 1.29 -0.02 -1.26 -1.38 135.00 135.59 1qhb n PRO 229 Ca 0.07 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1qhb n PRO 229 Cb 0.45 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 1qhb n PRO 229 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qhb n GLY 230 N 3.90 2.71 0.23 -1.23 0.00 -1.26 -4.56 105.19 104.98 1qhb n GLY 230 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 1qhb n GLY 230 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1qhb h SER 231 N 0.26 0.00 -0.15 1.61 0.02 -1.42 -2.68 113.55 111.19 1qhb h SER 231 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1qhb h SER 231 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1qhb h SER 231 CO 0.00 0.23 0.00 -0.62 -1.14 0.00 0.00 176.83 175.30 1qhb n GLU 232 N -3.78 2.15 -3.71 3.45 1.02 -1.26 -4.84 120.64 113.66 1qhb n GLU 232 Ca -0.02 -1.69 -0.35 0.00 -0.02 0.00 0.00 57.16 55.08 1qhb n GLU 232 Cb 0.33 -1.47 -0.08 0.00 -0.02 0.00 0.00 31.44 30.20 1qhb n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1qhb s VAL 233 N -1.83 5.40 0.00 2.62 1.01 -1.01 -4.98 120.40 121.60 1qhb s VAL 233 Ca 0.34 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1qhb s VAL 233 Cb 0.21 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1qhb s VAL 233 CO 0.31 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.45 1qhb n GLY 234 N 3.53 -1.32 3.58 4.51 0.00 -1.26 -4.88 105.19 109.35 1qhb n GLY 234 Ca -0.16 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.27 1qhb n GLY 234 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1qhb n PRO 235 N -0.14 -0.06 0.27 1.61 -0.02 -1.26 -4.94 135.00 130.46 1qhb n PRO 235 Ca 0.00 0.05 -0.16 0.00 -2.02 0.00 0.00 63.50 61.37 1qhb n PRO 235 Cb 0.00 -2.19 -0.08 0.00 -0.02 0.00 0.00 33.50 31.20 1qhb n PRO 235 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1qhb h TYR 236 N -1.21 -0.60 -3.49 6.00 5.03 -1.90 -3.43 116.97 117.38 1qhb h TYR 236 Ca -0.45 -0.01 -0.53 0.00 2.58 0.00 0.00 58.73 60.32 1qhb h TYR 236 Cb 1.30 0.20 -0.03 0.00 1.55 0.00 0.00 36.73 39.74 1qhb h TYR 236 CO 0.44 -0.35 0.21 -0.51 -1.32 0.00 0.00 178.16 176.63 1qhb s LEU 237 N -10.00 4.50 0.59 2.82 1.43 -1.26 -4.94 118.68 111.82 1qhb s LEU 237 Ca -0.16 1.57 -0.20 0.00 -1.03 0.00 0.00 54.13 54.31 1qhb s LEU 237 Cb 0.04 -3.32 -0.03 0.00 0.03 0.00 0.00 46.19 42.90 1qhb s LEU 237 CO 0.61 0.05 1.30 -0.24 0.23 0.00 0.00 176.35 178.31 1qhb n SER 238 N 2.48 2.31 -0.31 2.29 2.88 -1.26 -4.88 113.62 117.14 1qhb n SER 238 Ca -0.02 0.91 0.07 0.00 -1.33 0.00 0.00 58.87 58.49 1qhb n SER 238 Cb 0.50 -1.55 0.27 0.00 -0.75 0.00 0.00 64.21 62.67 1qhb n SER 238 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1qhb h GLN 239 N 1.03 0.92 0.00 -1.46 1.08 -1.91 -2.48 115.11 112.29 1qhb h GLN 239 Ca -0.51 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 56.64 1qhb h GLN 239 Cb 1.32 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 1qhb h GLN 239 CO 0.55 0.61 0.00 1.19 -0.95 0.00 0.00 178.83 180.23 1qhb n PHE 240 N -4.54 0.00 0.25 2.96 3.72 -1.26 -1.19 117.46 117.40 1qhb n PHE 240 Ca 0.16 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.60 1qhb n PHE 240 Cb 0.30 -0.32 0.05 0.00 -0.94 0.00 0.00 39.48 38.57 1qhb n PHE 240 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1qhb n ILE 241 N -1.32 0.21 0.00 4.37 3.06 -0.93 -4.61 119.36 120.15 1qhb n ILE 241 Ca 0.03 -0.61 0.00 0.00 -2.50 0.00 0.00 62.75 59.68 1qhb n ILE 241 Cb 0.07 1.03 0.00 0.00 0.54 0.00 0.00 39.64 41.28 1qhb n ILE 241 CO 0.00 0.00 0.00 2.30 -2.50 0.00 0.00 176.55 176.35 1qhb n ILE 242 N 0.43 0.00 -2.45 9.51 -5.35 -0.68 -4.81 119.36 116.02 1qhb n ILE 242 Ca 0.06 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.23 1qhb n ILE 242 Cb 0.25 -0.36 -0.02 0.00 -1.74 0.00 0.00 39.64 37.77 1qhb n ILE 242 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1qhb s VAL 243 N -1.46 4.73 0.00 7.28 -7.23 -0.33 -4.29 120.40 119.10 1qhb s VAL 243 Ca 0.00 0.75 0.00 0.00 -1.81 0.00 0.00 61.98 60.92 1qhb s VAL 243 Cb 0.00 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 33.15 1qhb s VAL 243 CO 0.00 -0.79 0.00 0.61 -0.31 0.00 0.00 175.10 174.61 1qhb n GLY 244 N -1.93 0.74 3.60 2.32 0.00 -0.48 -4.74 105.19 104.70 1qhb n GLY 244 Ca 0.04 -1.92 -0.28 0.00 0.00 0.00 0.00 46.02 43.86 1qhb n GLY 244 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qhb s SER 245 N -1.00 3.29 0.51 1.61 1.04 -0.67 -4.90 113.70 113.59 1qhb s SER 245 Ca 0.00 -1.63 -0.23 0.00 0.48 0.00 0.00 55.95 54.57 1qhb s SER 245 Cb 0.00 0.42 -0.06 0.00 0.10 0.00 0.00 66.02 66.48 1qhb s SER 245 CO 0.00 -0.86 1.33 1.17 0.98 0.00 0.00 173.24 175.86 1qhb n LYS 246 N -1.02 1.77 -4.18 4.02 4.81 -1.26 -3.90 118.16 118.40 1qhb n LYS 246 Ca -0.10 0.64 -0.23 0.00 -0.87 0.00 0.00 58.31 57.75 1qhb n LYS 246 Cb 0.66 -2.52 -0.06 0.00 0.02 0.00 0.00 35.03 33.13 1qhb n LYS 246 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1qhb s GLN 247 N -2.68 2.69 0.31 1.64 -1.52 -1.26 -4.41 119.66 114.43 1qhb s GLN 247 Ca 0.68 -1.16 -0.29 0.00 -1.95 0.00 0.00 55.36 52.64 1qhb s GLN 247 Cb -0.44 -2.42 -0.13 0.00 -0.22 0.00 0.00 33.01 29.80 1qhb s GLN 247 CO 0.52 0.40 1.30 -0.89 -0.25 0.00 0.00 175.29 176.36 1qhb n ILE 248 N -0.97 1.72 0.00 1.08 2.08 -1.26 -2.21 119.36 119.80 1qhb n ILE 248 Ca -0.08 -0.43 0.00 0.00 0.56 0.00 0.00 62.75 62.81 1qhb n ILE 248 Cb 0.58 -1.49 0.00 0.00 -0.75 0.00 0.00 39.64 37.97 1qhb n ILE 248 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1qhb n GLY 249 N 1.18 2.43 3.57 7.39 0.00 -1.26 -4.65 105.19 113.85 1qhb n GLY 249 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1qhb n GLY 249 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qhb s SER 250 N -0.74 6.32 0.18 1.61 0.01 -0.94 -3.22 113.70 116.93 1qhb s SER 250 Ca 0.00 0.05 -0.23 0.00 1.31 0.00 0.00 55.95 57.08 1qhb s SER 250 Cb 0.00 -2.26 0.06 0.00 0.21 0.00 0.00 66.02 64.03 1qhb s SER 250 CO 0.00 -0.43 0.62 0.00 0.41 0.00 0.00 173.24 173.83 1qhb s ALA 251 N 2.35 -1.55 -0.24 1.44 0.00 -0.99 -4.91 121.76 117.86 1qhb s ALA 251 Ca 0.18 0.38 -0.04 0.00 0.00 0.00 0.00 51.96 52.48 1qhb s ALA 251 Cb -0.16 0.88 0.00 0.00 0.00 0.00 0.00 23.12 23.85 1qhb s ALA 251 CO 0.13 -0.81 -0.02 0.99 0.00 0.00 0.00 175.76 176.05 1qhb s THR 252 N -3.77 3.44 -0.36 0.00 2.01 -1.26 0.36 115.64 116.05 1qhb s THR 252 Ca 0.02 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.40 1qhb s THR 252 Cb -0.02 -2.65 0.10 0.00 0.01 0.00 0.00 72.50 69.94 1qhb s THR 252 CO -0.10 0.30 0.10 -0.69 -0.69 0.00 0.00 174.62 173.54 1qhb s VAL 253 N 1.46 2.71 0.00 3.82 1.01 0.12 -4.99 120.40 124.53 1qhb s VAL 253 Ca 0.04 -2.15 0.00 0.00 0.00 0.00 0.00 61.98 59.87 1qhb s VAL 253 Cb -0.15 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1qhb s VAL 253 CO -0.02 -0.59 0.00 0.61 0.00 0.00 0.00 175.10 175.10 1qhb n GLY 254 N 4.41 2.88 0.76 4.51 0.00 -1.26 -1.31 105.19 115.18 1qhb n GLY 254 Ca -0.00 0.28 0.13 0.00 0.00 0.00 0.00 46.02 46.42 1qhb n GLY 254 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qhb n ASN 255 N 10.46 2.39 -4.70 1.61 0.23 -1.26 -4.91 115.26 119.08 1qhb n ASN 255 Ca 0.00 -1.79 -0.35 0.00 -0.53 0.00 0.00 54.58 51.91 1qhb n ASN 255 Cb 0.00 0.01 -0.09 0.00 -2.08 0.00 0.00 39.78 37.62 1qhb n ASN 255 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1qhb s LYS 256 N -2.01 3.88 -0.25 -3.83 2.20 -0.43 -5.09 119.74 114.21 1qhb s LYS 256 Ca 0.32 -0.28 -0.09 0.00 -0.36 0.00 0.00 55.97 55.56 1qhb s LYS 256 Cb 0.20 -3.23 -0.04 0.00 -1.51 0.00 0.00 37.83 33.26 1qhb s LYS 256 CO 0.32 0.39 0.11 0.99 -0.36 0.00 0.00 175.35 176.80 1qhb s THR 257 N 0.06 4.68 0.02 3.43 2.01 -1.26 0.14 115.64 124.72 1qhb s THR 257 Ca 0.07 -0.05 -0.00 0.00 0.31 0.00 0.00 61.69 62.02 1qhb s THR 257 Cb -0.12 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 1qhb s THR 257 CO 0.00 0.32 0.14 -0.76 -0.69 0.00 0.00 174.62 173.63 1qhb s LEU 258 N 1.56 4.11 -0.10 4.42 1.43 0.16 -4.98 118.68 125.28 1qhb s LEU 258 Ca 0.06 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.39 1qhb s LEU 258 Cb -0.15 -2.55 -0.00 0.00 0.03 0.00 0.00 46.19 43.51 1qhb s LEU 258 CO 0.06 0.23 -0.21 -0.69 0.23 0.00 0.00 176.35 175.96 1qhb s VAL 259 N -1.33 2.31 0.38 -1.59 1.01 -1.24 -2.35 120.40 117.59 1qhb s VAL 259 Ca 0.28 -0.93 -0.27 0.00 0.00 0.00 0.00 61.98 61.06 1qhb s VAL 259 Cb -0.12 -1.90 -0.09 0.00 0.00 0.00 0.00 36.38 34.26 1qhb s VAL 259 CO 0.20 0.55 1.28 -0.55 0.00 0.00 0.00 175.10 176.58 1qhb s SER 260 N 0.28 6.48 0.00 3.32 0.15 -1.20 -4.67 113.70 118.06 1qhb s SER 260 Ca -0.15 2.61 0.11 0.00 0.70 0.00 0.00 55.95 59.22 1qhb s SER 260 Cb -0.17 -2.64 0.54 0.00 -1.71 0.00 0.00 66.02 62.05 1qhb s SER 260 CO 0.08 -0.73 1.26 -0.81 1.20 0.00 0.00 173.24 174.23 1qhb n PRO 261 N 0.31 0.14 -0.11 5.44 -0.04 -1.26 -1.44 135.00 138.04 1qhb n PRO 261 Ca 0.03 0.20 0.07 0.00 -0.04 0.00 0.00 63.50 63.75 1qhb n PRO 261 Cb 0.43 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.52 1qhb n PRO 261 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1qhb n ASN 262 N -1.31 2.51 -0.20 3.54 3.02 -1.26 -4.82 115.26 116.74 1qhb n ASN 262 Ca 0.05 -2.74 0.21 0.00 -0.03 0.00 0.00 54.58 52.07 1qhb n ASN 262 Cb 0.09 -0.33 0.58 0.00 -0.61 0.00 0.00 39.78 39.51 1qhb n ASN 262 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qhb h ALA 263 N 0.37 2.37 0.00 5.41 0.00 -1.61 -0.53 119.26 125.27 1qhb h ALA 263 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1qhb h ALA 263 Cb 0.92 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1qhb h ALA 263 CO 0.03 -0.63 -0.05 0.00 0.00 0.00 0.00 179.25 178.60 1qhb h ALA 264 N 1.61 1.88 -1.05 0.00 0.00 -1.88 -2.57 119.26 117.27 1qhb h ALA 264 Ca 0.43 -0.04 0.29 0.00 0.00 0.00 0.00 54.91 55.58 1qhb h ALA 264 Cb 1.25 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 1qhb h ALA 264 CO -0.12 0.06 0.72 -0.44 0.00 0.00 0.00 179.25 179.47 1qhb h ASP 265 N 0.00 0.20 -0.90 0.00 3.32 -1.46 -0.50 116.42 117.08 1qhb h ASP 265 Ca -0.00 0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.19 1qhb h ASP 265 Cb 0.09 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.56 1qhb h ASP 265 CO 0.01 0.05 0.54 -0.08 -1.72 0.00 0.00 179.24 178.03 1qhb h GLU 266 N 0.18 0.86 -0.27 3.56 4.81 -1.57 -1.86 114.58 120.30 1qhb h GLU 266 Ca 0.54 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.72 1qhb h GLU 266 Cb 1.77 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.96 1qhb h GLU 266 CO -0.13 0.57 0.00 1.19 -0.73 0.00 0.00 179.01 179.91 1qhb n PHE 267 N -4.69 0.35 -1.54 0.92 3.72 -0.21 -1.38 117.46 114.64 1qhb n PHE 267 Ca 0.16 -0.18 0.05 0.00 -0.05 0.00 0.00 57.45 57.43 1qhb n PHE 267 Cb 0.30 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 39.04 1qhb n PHE 267 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1qhb n ASP 268 N 0.40 1.84 -1.37 4.37 2.03 -0.73 -4.36 116.55 118.73 1qhb n ASP 268 Ca 0.13 -3.83 -0.13 0.00 0.52 0.00 0.00 54.79 51.48 1qhb n ASP 268 Cb 0.30 -0.53 -0.02 0.00 -0.72 0.00 0.00 41.12 40.15 1qhb n ASP 268 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qhb n GLY 269 N -1.14 0.14 3.50 0.27 0.00 -1.21 -4.88 105.19 101.88 1qhb n GLY 269 Ca 0.20 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1qhb n GLY 269 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qhb s GLU 270 N -4.33 3.41 -0.13 1.61 0.41 -0.98 -0.51 118.70 118.18 1qhb s GLU 270 Ca 0.00 -0.69 -0.19 0.00 -0.41 0.00 0.00 54.97 53.67 1qhb s GLU 270 Cb 0.00 -3.75 -0.04 0.00 -1.78 0.00 0.00 34.13 28.56 1qhb s GLU 270 CO 0.00 -0.46 0.54 0.42 -0.49 0.00 0.00 175.26 175.27 1qhb s ILE 271 N 1.69 5.14 -0.19 -1.63 1.01 0.11 -1.67 121.20 125.66 1qhb s ILE 271 Ca 0.06 1.07 -0.29 0.00 0.00 0.00 0.00 60.65 61.48 1qhb s ILE 271 Cb -0.17 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 1qhb s ILE 271 CO 0.09 0.27 1.58 0.00 0.00 0.00 0.00 174.94 176.89 1qhb s ALA 272 N 0.90 3.38 -0.73 9.38 0.00 -1.26 -1.43 121.76 131.99 1qhb s ALA 272 Ca 0.28 0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.81 1qhb s ALA 272 Cb -0.16 -3.81 0.18 0.00 0.00 0.00 0.00 23.12 19.34 1qhb s ALA 272 CO 0.12 -1.76 0.55 -0.47 0.00 0.00 0.00 175.76 174.20 1qhb s TYR 273 N 4.79 3.61 0.00 0.00 5.04 0.74 -4.87 117.35 126.66 1qhb s TYR 273 Ca 0.70 -3.16 0.00 0.00 -2.44 0.00 0.00 57.07 52.17 1qhb s TYR 273 Cb -0.26 -2.95 0.00 0.00 0.35 0.00 0.00 41.96 39.10 1qhb s TYR 273 CO 0.28 -0.66 0.00 0.41 -1.34 0.00 0.00 175.55 174.23 1qhb n GLY 274 N 2.39 2.98 0.60 8.97 0.00 -1.26 -2.70 105.19 116.16 1qhb n GLY 274 Ca 0.17 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.12 1qhb n GLY 274 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qhb n SER 275 N 9.33 2.46 -4.69 1.61 7.64 -1.26 -4.91 113.62 123.80 1qhb n SER 275 Ca 0.00 -1.72 -0.29 0.00 1.01 0.00 0.00 58.87 57.87 1qhb n SER 275 Cb 0.00 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 1qhb n SER 275 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1qhb n ILE 276 N 0.69 0.00 -4.26 0.44 -5.35 -1.10 -5.10 119.36 104.68 1qhb n ILE 276 Ca 0.10 -2.24 -0.14 0.00 -0.27 0.00 0.00 62.75 60.19 1qhb n ILE 276 Cb 0.37 0.23 -0.10 0.00 -1.74 0.00 0.00 39.64 38.40 1qhb n ILE 276 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1qhb s THR 277 N -2.73 1.04 -0.09 7.28 -4.23 -1.26 -0.19 115.64 115.46 1qhb s THR 277 Ca 0.15 -2.04 0.03 0.00 -1.18 0.00 0.00 61.69 58.65 1qhb s THR 277 Cb -0.01 -1.98 -0.01 0.00 1.34 0.00 0.00 72.50 71.84 1qhb s THR 277 CO 0.09 -0.63 -0.19 -0.63 -0.54 0.00 0.00 174.62 172.72 1qhb s ILE 278 N -3.41 2.52 -0.14 2.99 1.01 -0.52 -4.84 121.20 118.81 1qhb s ILE 278 Ca 0.20 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 59.82 1qhb s ILE 278 Cb 0.04 -1.99 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 1qhb s ILE 278 CO 0.02 0.55 0.34 -0.55 0.00 0.00 0.00 174.94 175.31 1qhb s SER 279 N 0.08 6.51 0.00 3.58 0.15 -1.26 0.05 113.70 122.81 1qhb s SER 279 Ca -0.09 0.60 0.23 0.00 0.70 0.00 0.00 55.95 57.40 1qhb s SER 279 Cb -0.15 -2.21 1.17 0.00 -1.71 0.00 0.00 66.02 63.12 1qhb s SER 279 CO 0.05 0.08 1.77 0.00 1.20 0.00 0.00 173.24 176.35 1qhb n GLN 280 N 3.53 0.31 -2.34 5.44 1.13 0.33 -4.84 117.38 120.95 1qhb n GLN 280 Ca -0.11 0.07 -0.42 0.00 -1.94 0.00 0.00 57.00 54.60 1qhb n GLN 280 Cb 0.52 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.34 1qhb n GLN 280 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1qhb s ARG 281 N -2.60 4.33 0.20 -1.09 0.52 -1.26 -4.54 118.95 114.51 1qhb s ARG 281 Ca 0.21 1.83 -0.04 0.00 -0.52 0.00 0.00 55.73 57.21 1qhb s ARG 281 Cb 0.16 -3.53 -0.05 0.00 0.52 0.00 0.00 34.95 32.04 1qhb s ARG 281 CO 0.36 -0.49 0.43 0.54 0.02 0.00 0.00 175.30 176.17 1qhb s VAL 282 N 2.15 5.12 0.71 3.52 0.11 0.82 -4.62 120.40 128.21 1qhb s VAL 282 Ca 0.60 -0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 59.47 1qhb s VAL 282 Cb -0.29 -3.67 0.03 0.00 -1.53 0.00 0.00 36.38 30.92 1qhb s VAL 282 CO 0.25 -0.10 1.23 -0.13 -3.33 0.00 0.00 175.10 173.02 1qhb s ARG 283 N -3.04 2.22 -0.47 1.54 1.81 -1.26 -1.22 118.95 118.54 1qhb s ARG 283 Ca 0.42 1.85 -0.05 0.00 -1.72 0.00 0.00 55.73 56.23 1qhb s ARG 283 Cb -0.11 -1.83 0.12 0.00 -0.45 0.00 0.00 34.95 32.68 1qhb s ARG 283 CO 0.27 -1.79 0.29 0.42 -0.68 0.00 0.00 175.30 173.80 1qhb s ILE 284 N -1.82 3.65 0.30 1.52 1.01 -1.26 -4.85 121.20 119.75 1qhb s ILE 284 Ca 0.77 -2.14 -0.29 0.00 0.00 0.00 0.00 60.65 58.99 1qhb s ILE 284 Cb -0.31 -3.45 -0.10 0.00 0.01 0.00 0.00 42.46 38.61 1qhb s ILE 284 CO 0.44 -0.75 1.30 0.00 0.00 0.00 0.00 174.94 175.92 1qhb s ALA 285 N 0.99 3.50 -0.41 9.38 0.00 -1.26 0.03 121.76 133.99 1qhb s ALA 285 Ca 0.09 1.21 -0.41 0.00 0.00 0.00 0.00 51.96 52.85 1qhb s ALA 285 Cb -0.23 -3.47 -0.16 0.00 0.00 0.00 0.00 23.12 19.26 1qhb s ALA 285 CO -0.03 -0.59 1.97 2.41 0.00 0.00 0.00 175.76 179.52 1qhb n THR 286 N 1.17 0.13 -1.70 0.00 -1.04 -0.71 -4.79 114.28 107.34 1qhb n THR 286 Ca 0.01 -0.08 -0.43 0.00 -2.04 0.00 0.00 64.05 61.51 1qhb n THR 286 Cb 0.42 -0.98 -0.01 0.00 -1.82 0.00 0.00 70.33 67.94 1qhb n THR 286 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1qhb n PRO 287 N 6.61 2.18 -0.78 -2.82 -0.02 -1.26 -2.85 135.00 136.06 1qhb n PRO 287 Ca 0.41 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.65 1qhb n PRO 287 Cb 0.07 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 1qhb n PRO 287 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qhb n GLY 288 N 1.28 1.39 3.43 -1.23 0.00 -1.26 -4.99 105.19 103.81 1qhb n GLY 288 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1qhb n GLY 288 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qhb s ARG 289 N -0.02 3.14 0.40 1.61 3.52 -1.13 -5.02 118.95 121.45 1qhb s ARG 289 Ca 0.00 -0.86 0.08 0.00 -0.13 0.00 0.00 55.73 54.81 1qhb s ARG 289 Cb 0.00 -3.68 -0.04 0.00 -1.56 0.00 0.00 34.95 29.67 1qhb s ARG 289 CO 0.00 -0.54 0.24 -0.51 -0.81 0.00 0.00 175.30 173.68 1qhb s ASP 290 N 1.61 4.68 0.30 -2.12 1.01 -1.26 -4.94 116.67 115.95 1qhb s ASP 290 Ca 0.04 -0.92 0.07 0.00 0.71 0.00 0.00 52.55 52.45 1qhb s ASP 290 Cb -0.18 -0.55 -0.06 0.00 1.01 0.00 0.00 42.92 43.14 1qhb s ASP 290 CO 0.07 -0.54 -0.05 -0.36 0.21 0.00 0.00 175.17 174.50 1qhb s PHE 291 N -2.53 2.07 -1.49 4.23 0.08 0.29 -4.84 117.98 115.79 1qhb s PHE 291 Ca 0.43 -0.68 -0.07 0.00 0.12 0.00 0.00 56.93 56.73 1qhb s PHE 291 Cb 0.01 -1.21 0.01 0.00 -0.57 0.00 0.00 43.02 41.26 1qhb s PHE 291 CO 0.24 0.33 0.81 -1.33 -0.10 0.00 0.00 175.22 175.17 1qhb n MET 292 N -0.65 -5.88 0.00 0.44 2.81 -1.26 -0.80 117.12 111.78 1qhb n MET 292 Ca -0.05 0.86 0.12 0.00 -1.81 0.00 0.00 57.70 56.81 1qhb n MET 292 Cb 0.64 -5.78 0.11 0.00 -0.71 0.00 0.00 33.22 27.47 1qhb n MET 292 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1qhb n THR 293 N -4.67 0.00 -4.37 2.03 -2.24 -1.26 -4.72 114.28 99.05 1qhb n THR 293 Ca -0.06 -0.27 -0.34 0.00 -2.27 0.00 0.00 64.05 61.10 1qhb n THR 293 Cb 0.59 1.10 -0.12 0.00 -2.10 0.00 0.00 70.33 69.81 1qhb n THR 293 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qhb s ASP 294 N -2.38 4.93 0.22 3.42 2.15 -1.26 -4.80 116.67 118.95 1qhb s ASP 294 Ca 0.22 -0.07 -0.08 0.00 0.43 0.00 0.00 52.55 53.05 1qhb s ASP 294 Cb 0.19 -1.74 0.34 0.00 -0.30 0.00 0.00 42.92 41.41 1qhb s ASP 294 CO 0.51 0.20 1.71 0.25 -0.17 0.00 0.00 175.17 177.67 1qhb h LEU 295 N 6.46 0.07 -0.75 -1.34 5.85 -1.93 -1.30 115.31 122.36 1qhb h LEU 295 Ca -0.35 0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.37 1qhb h LEU 295 Cb 1.19 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 1qhb h LEU 295 CO 0.62 0.03 -0.28 0.11 -0.34 0.00 0.00 178.44 178.58 1qhb h LYS 296 N 0.30 0.63 -0.43 1.25 1.57 -1.95 0.38 116.57 118.32 1qhb h LYS 296 Ca 0.35 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 1qhb h LYS 296 Cb 0.52 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1qhb h LYS 296 CO -0.41 0.85 -0.13 0.28 -0.57 0.00 0.00 179.45 179.46 1qhb h VAL 297 N 0.54 1.27 -0.58 0.50 2.07 -1.79 -0.91 116.25 117.36 1qhb h VAL 297 Ca 0.07 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.36 1qhb h VAL 297 Cb 0.76 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1qhb h VAL 297 CO 0.06 0.42 0.36 0.15 0.02 0.00 0.00 177.57 178.58 1qhb h PHE 298 N 0.67 0.67 -0.58 1.57 3.57 -0.94 -1.04 116.94 120.86 1qhb h PHE 298 Ca 0.10 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.53 1qhb h PHE 298 Cb 0.68 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1qhb h PHE 298 CO 0.05 0.39 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.42 1qhb h LEU 299 N 0.71 1.02 -1.11 0.59 3.38 -0.74 -0.57 115.31 118.59 1qhb h LEU 299 Ca 0.23 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1qhb h LEU 299 Cb 0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 1qhb h LEU 299 CO -0.09 1.08 0.46 0.44 0.09 0.00 0.00 178.44 180.42 1qhb h ASP 300 N 0.94 0.95 -0.50 -0.43 3.32 -0.89 0.12 116.42 119.93 1qhb h ASP 300 Ca 0.16 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 1qhb h ASP 300 Cb 0.58 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1qhb h ASP 300 CO 0.03 0.74 -0.02 0.58 -1.72 0.00 0.00 179.24 178.86 1qhb h VAL 301 N 1.09 1.27 0.00 -1.35 2.07 -0.77 0.91 116.25 119.47 1qhb h VAL 301 Ca 0.28 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1qhb h VAL 301 Cb -0.02 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1qhb h VAL 301 CO -0.05 0.39 -0.06 1.56 0.02 0.00 0.00 177.57 179.43 1qhb h GLN 302 N 0.77 0.00 -0.65 1.57 1.08 -0.21 -0.73 115.11 116.94 1qhb h GLN 302 Ca 0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1qhb h GLN 302 Cb 0.55 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1qhb h GLN 302 CO 0.03 0.06 0.00 -0.25 -0.95 0.00 0.00 178.83 177.72 1qhb n ASP 303 N -3.45 3.83 0.00 1.46 8.00 -0.06 -0.52 116.55 125.81 1qhb n ASP 303 Ca -0.02 -2.44 0.00 0.00 0.71 0.00 0.00 54.79 53.04 1qhb n ASP 303 Cb 0.20 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1qhb n ASP 303 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qhb n ALA 304 N 0.64 0.00 -1.69 2.24 0.00 -0.28 -3.84 120.51 117.58 1qhb n ALA 304 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.18 1qhb n ALA 304 Cb 0.76 -0.17 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 1qhb n ALA 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qhb n ALA 305 N 0.39 1.86 -2.71 0.00 0.00 0.27 -2.17 120.51 118.15 1qhb n ALA 305 Ca 0.00 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.40 1qhb n ALA 305 Cb 0.00 -2.47 -0.02 0.00 0.00 0.00 0.00 19.45 16.95 1qhb n ALA 305 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qhb s ASP 306 N 1.86 6.61 -0.01 0.00 -1.08 -0.04 -4.72 116.67 119.30 1qhb s ASP 306 Ca 0.81 -1.84 0.10 0.00 -0.52 0.00 0.00 52.55 51.10 1qhb s ASP 306 Cb -0.59 -2.50 0.31 0.00 -1.46 0.00 0.00 42.92 38.67 1qhb s ASP 306 CO 0.38 -1.28 1.24 0.49 0.52 0.00 0.00 175.17 176.52 1qhb n PHE 307 N 7.87 0.49 -1.82 -5.34 3.72 -1.26 -4.78 117.46 116.34 1qhb n PHE 307 Ca 0.32 -0.23 -0.41 0.00 -0.05 0.00 0.00 57.45 57.07 1qhb n PHE 307 Cb 0.49 -0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 39.00 1qhb n PHE 307 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1qhb s ARG 308 N -1.57 4.14 0.00 -1.08 0.52 -1.26 -2.76 118.95 116.94 1qhb s ARG 308 Ca 0.23 2.54 0.00 0.00 -0.52 0.00 0.00 55.73 57.98 1qhb s ARG 308 Cb 0.12 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.58 1qhb s ARG 308 CO 0.15 -0.57 0.00 0.41 0.02 0.00 0.00 175.30 175.31 1qhb n GLY 309 N 1.67 0.74 0.06 -3.53 0.00 -1.26 -4.96 105.19 97.90 1qhb n GLY 309 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 1qhb n GLY 309 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1qhb n PHE 310 N -2.09 0.51 -1.33 1.61 7.35 -1.11 -4.90 117.46 117.50 1qhb n PHE 310 Ca 0.00 0.16 -0.33 0.00 -0.76 0.00 0.00 57.45 56.51 1qhb n PHE 310 Cb 0.00 -0.75 0.10 0.00 0.35 0.00 0.00 39.48 39.18 1qhb n PHE 310 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1qhb s GLU 311 N -3.08 2.00 0.07 -4.13 8.01 -1.26 -5.02 118.70 115.29 1qhb s GLU 311 Ca 0.11 1.68 0.03 0.00 0.01 0.00 0.00 54.97 56.80 1qhb s GLU 311 Cb 0.14 -1.83 -0.04 0.00 -4.31 0.00 0.00 34.13 28.10 1qhb s GLU 311 CO 0.53 -1.92 0.06 -1.54 0.01 0.00 0.00 175.26 172.40 1qhb s SER 312 N -2.24 5.45 0.22 -0.19 1.04 -1.26 -5.08 113.70 111.64 1qhb s SER 312 Ca 0.72 -0.02 0.08 0.00 0.48 0.00 0.00 55.95 57.21 1qhb s SER 312 Cb -0.27 -1.45 -0.05 0.00 0.10 0.00 0.00 66.02 64.35 1qhb s SER 312 CO 0.48 0.19 -0.13 -0.31 0.98 0.00 0.00 173.24 174.44 1qhb s TYR 313 N -1.34 1.77 0.28 5.02 1.51 -1.26 -1.73 117.35 121.59 1qhb s TYR 313 Ca 0.28 -0.59 -0.04 0.00 -1.01 0.00 0.00 57.07 55.71 1qhb s TYR 313 Cb -0.12 -0.85 -0.05 0.00 -0.11 0.00 0.00 41.96 40.83 1qhb s TYR 313 CO 0.20 0.36 0.53 -1.21 -1.11 0.00 0.00 175.55 174.32 1qhb s GLU 314 N -3.65 3.62 0.46 -0.62 2.02 0.10 -4.79 118.70 115.84 1qhb s GLU 314 Ca 0.24 -0.04 -0.24 0.00 0.02 0.00 0.00 54.97 54.94 1qhb s GLU 314 Cb -0.00 -2.67 -0.07 0.00 0.10 0.00 0.00 34.13 31.48 1qhb s GLU 314 CO 0.08 0.24 1.33 -2.14 0.02 0.00 0.00 175.26 174.79 1qhb s PRO 315 N -3.53 3.64 0.63 0.39 0.02 -1.26 -4.39 135.00 130.50 1qhb s PRO 315 Ca 0.43 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.64 1qhb s PRO 315 Cb -0.11 -2.55 0.00 0.00 0.02 0.00 0.00 34.50 31.87 1qhb s PRO 315 CO 0.30 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.60 1qhb n GLY 316 N 0.63 -1.12 3.46 0.52 0.00 -1.26 -4.94 105.19 102.49 1qhb n GLY 316 Ca 0.06 -1.75 -0.14 0.00 0.00 0.00 0.00 46.02 44.20 1qhb n GLY 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhb s ALA 317 N -1.74 -1.68 0.10 4.61 0.00 -1.26 -4.42 121.76 117.37 1qhb s ALA 317 Ca 0.00 0.83 -0.09 0.00 0.00 0.00 0.00 51.96 52.69 1qhb s ALA 317 Cb 0.00 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.65 1qhb s ALA 317 CO 0.00 -0.62 0.21 -0.98 0.00 0.00 0.00 175.76 174.38 1qhb s ARG 318 N -2.78 0.88 0.33 0.00 1.70 -0.36 -4.84 118.95 113.88 1qhb s ARG 318 Ca -0.03 -0.94 -0.29 0.00 -0.47 0.00 0.00 55.73 54.00 1qhb s ARG 318 Cb -0.01 0.36 -0.11 0.00 -0.57 0.00 0.00 34.95 34.62 1qhb s ARG 318 CO -0.05 -0.29 1.55 1.28 -1.08 0.00 0.00 175.30 176.72 1qhb n LEU 319 N -0.08 4.60 -4.67 -1.89 4.77 -1.26 -0.12 117.00 118.34 1qhb n LEU 319 Ca -0.15 1.19 -0.59 0.00 -0.03 0.00 0.00 56.01 56.42 1qhb n LEU 319 Cb 0.63 -1.61 -0.08 0.00 -2.33 0.00 0.00 43.42 40.03 1qhb n LEU 319 CO 0.22 0.18 1.11 -0.38 -1.33 0.00 0.00 177.39 177.19 1qhb n ILE 320 N 1.35 0.13 -0.01 -0.08 5.41 -1.26 -4.82 119.36 120.07 1qhb n ILE 320 Ca 0.05 -0.02 -0.02 0.00 1.00 0.00 0.00 62.75 63.75 1qhb n ILE 320 Cb 0.38 -0.81 -0.01 0.00 -0.71 0.00 0.00 39.64 38.48 1qhb n ILE 320 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1qhb n ARG 321 N 4.02 0.06 -4.24 0.38 0.63 -1.26 -4.88 116.66 111.37 1qhb n ARG 321 Ca 0.25 0.02 -0.25 0.00 -0.92 0.00 0.00 57.85 56.95 1qhb n ARG 321 Cb 0.09 -0.83 -0.08 0.00 0.45 0.00 0.00 32.46 32.09 1qhb n ARG 321 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1qhb s THR 322 N -2.05 2.23 0.27 5.15 -4.23 -1.26 -1.41 115.64 114.34 1qhb s THR 322 Ca -0.03 -1.77 -0.01 0.00 -1.18 0.00 0.00 61.69 58.70 1qhb s THR 322 Cb 0.01 -3.00 0.28 0.00 1.34 0.00 0.00 72.50 71.13 1qhb s THR 322 CO 0.05 0.00 1.86 0.40 -0.54 0.00 0.00 174.62 176.39 1qhb h ILE 323 N 1.50 1.02 -0.55 2.99 2.04 -1.43 -1.50 117.51 121.59 1qhb h ILE 323 Ca -0.43 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.05 1qhb h ILE 323 Cb 1.25 -0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1qhb h ILE 323 CO 0.73 0.20 0.35 -0.09 0.00 0.00 0.00 178.15 179.34 1qhb h ARG 324 N 1.11 0.73 -0.61 2.37 2.43 -1.18 -1.40 114.38 117.84 1qhb h ARG 324 Ca 0.46 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.52 1qhb h ARG 324 Cb 0.29 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1qhb h ARG 324 CO -0.21 0.50 0.13 -0.44 -1.51 0.00 0.00 179.97 178.44 1qhb h ASP 325 N 0.75 0.90 -0.14 -3.80 3.32 -1.56 0.01 116.42 115.90 1qhb h ASP 325 Ca 0.20 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 1qhb h ASP 325 Cb -0.06 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 1qhb h ASP 325 CO -0.04 0.89 -0.26 0.25 -1.72 0.00 0.00 179.24 178.36 1qhb h LEU 326 N 0.91 0.60 -1.05 1.55 5.85 -1.10 0.70 115.31 122.77 1qhb h LEU 326 Ca 0.19 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1qhb h LEU 326 Cb 0.35 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1qhb h LEU 326 CO 0.00 0.84 0.54 0.00 -0.34 0.00 0.00 178.44 179.49 1qhb h ALA 327 N 1.20 1.29 -0.17 1.25 0.00 -0.95 -2.37 119.26 119.52 1qhb h ALA 327 Ca 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1qhb h ALA 327 Cb 0.72 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1qhb h ALA 327 CO 0.05 0.62 -0.05 1.15 0.00 0.00 0.00 179.25 181.02 1qhb h THR 328 N 1.21 1.29 -0.66 0.00 2.02 -0.71 -2.35 112.91 113.71 1qhb h THR 328 Ca 0.32 -1.04 0.11 0.00 0.77 0.00 0.00 66.41 66.57 1qhb h THR 328 Cb -0.07 1.63 -0.08 0.00 -1.74 0.00 0.00 68.15 67.89 1qhb h THR 328 CO -0.06 0.31 0.24 -0.25 0.37 0.00 0.00 175.52 176.13 1qhb h TRP 329 N 0.04 0.41 -0.15 3.16 7.01 -0.37 -1.74 115.95 124.31 1qhb h TRP 329 Ca 0.04 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.07 1qhb h TRP 329 Cb 0.50 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.47 1qhb h TRP 329 CO 0.06 0.07 0.00 1.33 -2.79 0.00 0.00 178.44 177.11 1qhb n VAL 330 N -5.01 0.19 0.12 2.65 0.24 -0.96 -3.08 118.33 112.48 1qhb n VAL 330 Ca 0.11 -0.26 -0.20 0.00 -2.04 0.00 0.00 64.34 61.95 1qhb n VAL 330 Cb 0.33 0.17 -0.15 0.00 -1.47 0.00 0.00 33.84 32.72 1qhb n VAL 330 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1qhb h HIS 331 N 1.50 0.69 0.00 6.34 6.17 -0.74 -3.39 115.15 125.72 1qhb h HIS 331 Ca 0.00 -0.50 0.00 0.00 0.71 0.00 0.00 60.37 60.58 1qhb h HIS 331 Cb 0.33 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.24 1qhb h HIS 331 CO 0.10 1.40 0.00 1.19 0.71 0.00 0.00 177.93 181.33 1qhb n PHE 332 N -3.60 0.00 -1.67 5.26 3.72 -1.24 -5.07 117.46 114.87 1qhb n PHE 332 Ca -0.12 -0.14 -0.40 0.00 -0.05 0.00 0.00 57.45 56.74 1qhb n PHE 332 Cb 1.06 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 39.61 1qhb n PHE 332 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1qhb n ASP 333 N -0.14 1.79 -4.77 4.37 5.75 -1.18 -4.94 116.55 117.44 1qhb n ASP 333 Ca 0.00 0.98 -0.36 0.00 -0.01 0.00 0.00 54.79 55.39 1qhb n ASP 333 Cb 0.18 -1.45 -0.00 0.00 -1.03 0.00 0.00 41.12 38.81 1qhb n ASP 333 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1qhb s SER 334 N -0.87 5.90 0.37 -1.12 1.04 -1.26 -4.90 113.70 112.86 1qhb s SER 334 Ca 0.68 2.27 0.06 0.00 0.48 0.00 0.00 55.95 59.44 1qhb s SER 334 Cb -0.47 -2.59 0.70 0.00 0.10 0.00 0.00 66.02 63.76 1qhb s SER 334 CO 0.53 -1.10 1.92 -0.07 0.98 0.00 0.00 173.24 175.50 1qhb h LEU 335 N 1.62 0.42 -2.03 2.42 4.07 -1.99 -2.20 115.31 117.61 1qhb h LEU 335 Ca -0.50 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.40 1qhb h LEU 335 Cb 1.26 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.89 1qhb h LEU 335 CO 0.58 0.47 0.00 0.00 -1.08 0.00 0.00 178.44 178.41 1qhb n TYR 336 N -4.32 0.71 0.02 1.13 0.18 -1.26 -4.64 117.16 108.98 1qhb n TYR 336 Ca 0.01 -0.35 -0.12 0.00 1.88 0.00 0.00 57.90 59.32 1qhb n TYR 336 Cb 0.21 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.12 1qhb n TYR 336 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 1qhb h GLU 337 N 3.30 -0.45 -0.90 -3.48 4.81 -1.76 -1.09 114.58 115.02 1qhb h GLU 337 Ca 0.00 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.40 1qhb h GLU 337 Cb 0.75 0.10 -0.09 0.00 0.63 0.00 0.00 28.75 30.14 1qhb h GLU 337 CO 0.00 -0.30 0.52 0.00 -0.73 0.00 0.00 179.01 178.50 1qhb h ALA 338 N 0.23 1.37 0.07 2.92 0.00 -1.82 -1.15 119.26 120.89 1qhb h ALA 338 Ca 0.08 0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.80 1qhb h ALA 338 Cb 0.59 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1qhb h ALA 338 CO -0.36 0.03 -1.10 1.88 0.00 0.00 0.00 179.25 179.70 1qhb h TYR 339 N 0.77 0.43 -0.73 0.00 0.05 -1.76 -1.74 116.97 113.99 1qhb h TYR 339 Ca 0.48 -0.28 -0.06 0.00 0.05 0.00 0.00 58.73 58.91 1qhb h TYR 339 Cb 0.59 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.27 1qhb h TYR 339 CO -0.05 1.18 0.22 1.25 -1.05 0.00 0.00 178.16 179.70 1qhb h LEU 340 N 0.10 1.06 -0.46 3.88 5.85 -1.03 -0.86 115.31 123.85 1qhb h LEU 340 Ca -0.10 -0.20 -0.12 0.00 0.84 0.00 0.00 57.88 58.30 1qhb h LEU 340 Cb 1.80 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 1qhb h LEU 340 CO 0.18 0.99 -0.19 0.78 -0.34 0.00 0.00 178.44 179.85 1qhb h ASN 341 N 1.08 0.97 -0.38 1.25 -0.26 -1.15 -1.06 115.58 116.03 1qhb h ASN 341 Ca 0.23 -0.39 -0.00 0.00 -0.56 0.00 0.00 56.30 55.58 1qhb h ASN 341 Cb 0.32 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.29 1qhb h ASN 341 CO -0.01 1.14 0.22 0.00 -1.06 0.00 0.00 177.43 177.73 1qhb h ALA 342 N 0.86 0.49 -0.94 -0.83 0.00 -1.20 -1.87 119.26 115.77 1qhb h ALA 342 Ca 0.11 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1qhb h ALA 342 Cb 0.76 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1qhb h ALA 342 CO 0.06 -0.01 0.61 0.00 0.00 0.00 0.00 179.25 179.91 1qhb h LEU 344 N 1.17 0.84 -0.22 0.00 3.38 -0.81 -0.69 115.31 118.98 1qhb h LEU 344 Ca 0.38 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 1qhb h LEU 344 Cb 0.01 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1qhb h LEU 344 CO -0.12 0.79 -0.15 0.40 0.09 0.00 0.00 178.44 179.45 1qhb h ILE 345 N 0.88 1.31 -0.69 1.22 2.04 -0.72 -1.25 117.51 120.31 1qhb h ILE 345 Ca 0.20 -1.26 0.04 0.00 1.00 0.00 0.00 64.86 64.84 1qhb h ILE 345 Cb 0.25 1.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 1qhb h ILE 345 CO -0.01 0.39 0.42 -0.07 0.00 0.00 0.00 178.15 178.87 1qhb h LEU 346 N 0.19 0.67 -0.18 1.44 3.38 -0.91 0.14 115.31 120.05 1qhb h LEU 346 Ca 0.04 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1qhb h LEU 346 Cb 0.66 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1qhb h LEU 346 CO 0.04 0.46 -0.10 -0.07 0.09 0.00 0.00 178.44 178.86 1qhb h LEU 347 N 0.81 0.39 -0.82 1.67 3.38 -0.99 -2.14 115.31 117.59 1qhb h LEU 347 Ca 0.29 -0.42 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 1qhb h LEU 347 Cb 0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1qhb h LEU 347 CO -0.13 0.73 -0.12 0.00 0.09 0.00 0.00 178.44 179.00 1qhb h ALA 348 N 0.68 1.01 0.00 1.53 0.00 -1.02 -2.37 119.26 119.08 1qhb h ALA 348 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1qhb h ALA 348 Cb 0.58 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1qhb h ALA 348 CO 0.03 0.60 0.00 0.09 0.00 0.00 0.00 179.25 179.96 1qhb n ASN 349 N -4.16 0.00 -0.16 0.00 3.02 0.46 -4.53 115.26 109.89 1qhb n ASN 349 Ca 0.01 -0.13 -0.02 0.00 -0.03 0.00 0.00 54.58 54.41 1qhb n ASN 349 Cb 0.37 -0.27 -0.01 0.00 -0.61 0.00 0.00 39.78 39.26 1qhb n ASN 349 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qhb n GLY 350 N 0.99 0.53 3.73 7.41 0.00 -0.89 -4.99 105.19 111.96 1qhb n GLY 350 Ca 0.13 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1qhb n GLY 350 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qhb n VAL 351 N -2.99 0.92 -1.92 1.61 0.31 -0.86 -4.94 118.33 110.46 1qhb n VAL 351 Ca -0.02 -0.23 -0.34 0.00 -0.01 0.00 0.00 64.34 63.74 1qhb n VAL 351 Cb 0.09 -1.90 0.04 0.00 -0.91 0.00 0.00 33.84 31.16 1qhb n VAL 351 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1qhb s PRO 352 N -0.34 2.93 0.73 5.55 0.02 -1.26 -4.85 135.00 137.78 1qhb s PRO 352 Ca 0.66 1.58 -0.11 0.00 0.02 0.00 0.00 61.00 63.14 1qhb s PRO 352 Cb -0.52 -1.95 0.03 0.00 0.02 0.00 0.00 34.50 32.08 1qhb s PRO 352 CO 0.47 -1.18 1.09 -0.06 -0.33 0.00 0.00 177.00 176.99 1qhb s PHE 353 N -1.99 3.17 0.00 6.54 0.08 -1.26 -1.23 117.98 123.29 1qhb s PHE 353 Ca 0.71 1.11 -0.37 0.00 0.12 0.00 0.00 56.93 58.51 1qhb s PHE 353 Cb -0.24 -3.06 -0.15 0.00 -0.57 0.00 0.00 43.02 39.00 1qhb s PHE 353 CO 0.36 -1.34 1.53 -3.47 -0.10 0.00 0.00 175.22 172.20 1qhb n ASP 354 N -3.13 2.27 0.09 1.36 -0.08 0.44 -3.98 116.55 113.52 1qhb n ASP 354 Ca 0.07 1.09 0.10 0.00 -1.51 0.00 0.00 54.79 54.54 1qhb n ASP 354 Cb 0.56 -1.24 0.43 0.00 2.34 0.00 0.00 41.12 43.21 1qhb n ASP 354 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1qhb n PRO 355 N 3.75 0.13 0.00 -0.67 -0.04 -1.26 -1.73 135.00 135.17 1qhb n PRO 355 Ca 0.20 0.40 0.14 0.00 -0.04 0.00 0.00 63.50 64.21 1qhb n PRO 355 Cb 0.21 -1.77 0.65 0.00 -0.04 0.00 0.00 33.50 32.55 1qhb n PRO 355 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1qhb n ASN 356 N -2.01 0.18 -4.80 3.54 3.02 -1.26 -4.83 115.26 109.10 1qhb n ASN 356 Ca 0.02 -0.17 -0.33 0.00 -0.03 0.00 0.00 54.58 54.07 1qhb n ASN 356 Cb 0.19 -0.22 -0.01 0.00 -0.61 0.00 0.00 39.78 39.13 1qhb n ASN 356 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1qhb s LEU 357 N -2.65 3.65 0.72 3.41 1.43 -0.71 -3.34 118.68 121.19 1qhb s LEU 357 Ca 0.25 1.90 -0.14 0.00 -1.03 0.00 0.00 54.13 55.11 1qhb s LEU 357 Cb 0.20 -4.55 0.03 0.00 0.03 0.00 0.00 46.19 41.90 1qhb s LEU 357 CO 0.49 -1.04 1.15 -2.16 0.23 0.00 0.00 176.35 175.02 1qhb s PRO 358 N -3.69 2.32 -1.49 1.29 0.05 -1.26 -4.02 135.00 128.19 1qhb s PRO 358 Ca 0.66 1.52 -0.12 0.00 0.05 0.00 0.00 61.00 63.11 1qhb s PRO 358 Cb -0.17 -1.88 0.07 0.00 0.05 0.00 0.00 34.50 32.57 1qhb s PRO 358 CO 0.30 -1.65 0.99 1.19 0.05 0.00 0.00 177.00 177.88 1qhb n PHE 359 N -2.82 -2.36 1.15 0.56 3.72 -1.26 -4.89 117.46 111.55 1qhb n PHE 359 Ca 0.12 0.92 0.12 0.00 -0.05 0.00 0.00 57.45 58.56 1qhb n PHE 359 Cb 0.51 -4.17 0.21 0.00 -0.94 0.00 0.00 39.48 35.10 1qhb n PHE 359 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1qhb n GLN 360 N -4.70 1.50 -1.39 -1.08 1.13 -1.26 -4.74 117.38 106.85 1qhb n GLN 360 Ca 0.01 -1.12 -0.30 0.00 -1.94 0.00 0.00 57.00 53.65 1qhb n GLN 360 Cb 0.54 -1.48 0.23 0.00 0.11 0.00 0.00 30.24 29.65 1qhb n GLN 360 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1qhb s GLN 361 N -2.27 -0.76 0.59 -1.09 -0.21 -1.26 -4.99 119.66 109.66 1qhb s GLN 361 Ca 0.26 -0.27 -0.19 0.00 0.02 0.00 0.00 55.36 55.18 1qhb s GLN 361 Cb 0.19 -1.67 -0.04 0.00 1.00 0.00 0.00 33.01 32.50 1qhb s GLN 361 CO 0.45 -3.37 1.19 -1.21 -2.12 0.00 0.00 175.29 170.23 1qhb s GLU 362 N -5.64 3.01 0.51 2.91 2.02 -1.26 -4.84 118.70 115.41 1qhb s GLU 362 Ca 0.73 1.78 0.17 0.00 0.02 0.00 0.00 54.97 57.68 1qhb s GLU 362 Cb -0.06 -1.94 1.27 0.00 0.10 0.00 0.00 34.13 33.50 1qhb s GLU 362 CO 0.55 -1.16 2.12 -0.44 0.02 0.00 0.00 175.26 176.35 1qhb h ASP 363 N 0.89 0.00 0.38 -0.19 3.32 -1.94 -0.54 116.42 118.34 1qhb h ASP 363 Ca -0.50 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.53 1qhb h ASP 363 Cb 1.29 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.84 1qhb h ASP 363 CO 0.55 0.05 -0.10 0.07 -1.72 0.00 0.00 179.24 178.09 1qhb h LYS 364 N 0.00 0.00 0.06 3.56 2.10 -1.98 0.47 116.57 120.77 1qhb h LYS 364 Ca -0.00 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.32 1qhb h LYS 364 Cb 0.08 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.38 1qhb h LYS 364 CO 0.01 0.10 -1.85 1.28 -2.00 0.00 0.00 179.45 176.98 1qhb n LEU 365 N -3.57 1.71 0.00 7.07 4.77 -0.24 -4.64 117.00 122.10 1qhb n LEU 365 Ca -0.02 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1qhb n LEU 365 Cb 0.23 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1qhb n LEU 365 CO 0.29 0.61 0.26 -0.90 -1.33 0.00 0.00 177.39 176.32 1qhb n ASP 366 N -3.25 1.02 -2.13 -1.43 5.68 -1.05 -5.03 116.55 110.36 1qhb n ASP 366 Ca -0.24 -1.09 -0.16 0.00 -0.50 0.00 0.00 54.79 52.80 1qhb n ASP 366 Cb 1.05 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 41.01 1qhb n ASP 366 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1qhb n ASN 367 N -0.05 -4.53 -3.59 -1.12 3.02 0.16 -4.94 115.26 104.23 1qhb n ASN 367 Ca 0.00 0.20 -0.14 0.00 -0.03 0.00 0.00 54.58 54.61 1qhb n ASN 367 Cb 0.04 -3.90 -0.12 0.00 -0.61 0.00 0.00 39.78 35.19 1qhb n ASN 367 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1qhb s GLN 368 N -4.51 0.19 0.62 3.52 2.00 -1.26 -5.08 119.66 115.12 1qhb s GLN 368 Ca 0.00 0.61 -0.01 0.00 -2.00 0.00 0.00 55.36 53.96 1qhb s GLN 368 Cb 0.00 -0.35 0.06 0.00 0.80 0.00 0.00 33.01 33.52 1qhb s GLN 368 CO 0.00 -0.41 0.87 0.34 -0.50 0.00 0.00 175.29 175.58 1qhb s ASP 369 N 2.42 4.99 0.10 6.67 -1.08 -1.26 -4.85 116.67 123.66 1qhb s ASP 369 Ca 0.04 0.01 0.09 0.00 -0.52 0.00 0.00 52.55 52.16 1qhb s ASP 369 Cb -0.13 -0.74 -0.03 0.00 -1.46 0.00 0.00 42.92 40.55 1qhb s ASP 369 CO -0.10 -1.38 -0.22 0.68 0.52 0.00 0.00 175.17 174.67 1qhb s VAL 370 N -2.93 1.82 0.00 1.11 -7.23 -1.26 -5.02 120.40 106.89 1qhb s VAL 370 Ca 0.60 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 1qhb s VAL 370 Cb -0.09 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.21 1qhb s VAL 370 CO 0.41 0.00 0.00 0.33 -0.31 0.00 0.00 175.10 175.53 1qhb n PHE 371 N 1.14 -0.72 0.35 2.82 7.35 -1.26 -4.50 117.46 122.64 1qhb n PHE 371 Ca -0.19 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.31 1qhb n PHE 371 Cb 0.53 0.14 -0.10 0.00 0.35 0.00 0.00 39.48 40.41 1qhb n PHE 371 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1qhb h VAL 372 N 0.00 0.01 -3.29 -2.13 2.07 -1.94 -2.37 116.25 108.60 1qhb h VAL 372 Ca 0.00 0.00 -0.68 0.00 0.82 0.00 0.00 66.70 66.84 1qhb h VAL 372 Cb 0.00 0.01 -0.15 0.00 -1.52 0.00 0.00 31.29 29.63 1qhb h VAL 372 CO 0.00 0.00 -0.62 0.20 0.02 0.00 0.00 177.57 177.17 1qhb s ASN 373 N -4.30 5.29 -0.25 0.57 0.01 -1.26 -3.13 114.94 111.86 1qhb s ASN 373 Ca -0.18 0.15 0.00 0.00 -0.71 0.00 0.00 52.86 52.12 1qhb s ASN 373 Cb 0.04 -1.51 0.00 0.00 0.41 0.00 0.00 41.25 40.19 1qhb s ASN 373 CO 0.60 0.37 0.00 0.49 -1.51 0.00 0.00 177.10 177.06 1qhb n PHE 374 N 2.17 0.00 -3.52 2.20 3.72 -1.26 -4.81 117.46 115.96 1qhb n PHE 374 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 1qhb n PHE 374 Cb 0.54 -1.87 0.00 0.00 -0.94 0.00 0.00 39.48 37.21 1qhb n PHE 374 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qhb n GLY 375 N 0.21 5.81 0.27 1.37 0.00 -1.18 -4.72 105.19 106.95 1qhb n GLY 375 Ca -0.02 -2.06 -0.01 0.00 0.00 0.00 0.00 46.02 43.92 1qhb n GLY 375 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qhb h SER 376 N 0.00 0.56 -0.16 1.61 4.64 -1.78 -2.88 113.55 115.53 1qhb h SER 376 Ca 0.00 -0.12 -0.12 0.00 -0.47 0.00 0.00 61.79 61.08 1qhb h SER 376 Cb 0.00 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1qhb h SER 376 CO 0.00 0.64 -0.30 0.00 -0.87 0.00 0.00 176.83 176.30 1qhb h ALA 377 N 1.43 0.89 0.62 5.18 0.00 -1.72 -1.53 119.26 124.12 1qhb h ALA 377 Ca 0.12 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1qhb h ALA 377 Cb 0.38 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1qhb h ALA 377 CO 0.01 0.63 -0.30 1.25 0.00 0.00 0.00 179.25 180.84 1qhb h HIS 378 N 0.55 -0.77 -0.15 0.00 6.17 -1.32 -2.17 115.15 117.47 1qhb h HIS 378 Ca 0.07 -0.02 -0.07 0.00 0.71 0.00 0.00 60.37 61.06 1qhb h HIS 378 Cb 0.80 0.25 -0.01 0.00 2.52 0.00 0.00 27.41 30.97 1qhb h HIS 378 CO 0.04 -0.46 -0.20 -0.24 0.71 0.00 0.00 177.93 177.77 1qhb h VAL 379 N -0.86 1.22 -0.36 5.26 3.04 -1.50 -2.28 116.25 120.77 1qhb h VAL 379 Ca -0.08 -1.00 -0.10 0.00 -1.01 0.00 0.00 66.70 64.50 1qhb h VAL 379 Cb 0.65 1.33 -0.02 0.00 -2.01 0.00 0.00 31.29 31.24 1qhb h VAL 379 CO 0.14 0.31 -0.20 -0.07 -1.01 0.00 0.00 177.57 176.74 1qhb h LEU 380 N 0.24 0.69 0.17 3.16 3.38 -1.10 -1.13 115.31 120.71 1qhb h LEU 380 Ca 0.04 -0.23 -0.31 0.00 0.09 0.00 0.00 57.88 57.47 1qhb h LEU 380 Cb 0.50 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.07 1qhb h LEU 380 CO 0.03 0.88 -1.48 0.28 0.09 0.00 0.00 178.44 178.24 1qhb h SER 381 N 0.60 0.56 -0.65 -0.43 0.02 -1.19 -3.35 113.55 109.10 1qhb h SER 381 Ca 0.09 -0.68 -0.02 0.00 -0.84 0.00 0.00 61.79 60.34 1qhb h SER 381 Cb 0.67 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 1qhb h SER 381 CO 0.05 1.55 0.32 0.25 -1.14 0.00 0.00 176.83 177.85 1qhb h LEU 382 N 0.10 0.85 -1.36 5.07 5.85 -1.35 -0.69 115.31 123.78 1qhb h LEU 382 Ca -0.24 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.30 1qhb h LEU 382 Cb 2.06 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.86 1qhb h LEU 382 CO 0.21 0.74 -0.13 1.62 -0.34 0.00 0.00 178.44 180.53 1qhb h VAL 383 N 0.90 1.19 0.01 1.05 3.04 -1.35 -3.07 116.25 118.02 1qhb h VAL 383 Ca 0.22 -0.82 -0.27 0.00 -1.01 0.00 0.00 66.70 64.83 1qhb h VAL 383 Cb 0.12 1.21 -0.04 0.00 -2.01 0.00 0.00 31.29 30.57 1qhb h VAL 383 CO -0.03 0.26 -1.46 0.71 -1.01 0.00 0.00 177.57 176.03 1qhb h THR 384 N 0.25 1.15 0.00 3.17 1.35 -1.60 -3.38 112.91 113.85 1qhb h THR 384 Ca 0.05 -2.95 -0.04 0.00 -0.55 0.00 0.00 66.41 62.92 1qhb h THR 384 Cb 0.39 2.58 -0.01 0.00 -1.73 0.00 0.00 68.15 69.39 1qhb h THR 384 CO 0.02 0.67 -0.19 1.05 -0.25 0.00 0.00 175.52 176.82 1qhb h GLU 385 N 0.00 0.00 0.00 4.72 4.11 -1.04 -2.46 114.58 119.92 1qhb h GLU 385 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.24 1qhb h GLU 385 Cb 1.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.18 1qhb h GLU 385 CO 0.10 0.19 0.00 -0.39 0.07 0.00 0.00 179.01 178.98 1qhb h VAL 386 N 0.00 0.00 -0.52 -1.06 -1.51 -1.71 -3.33 116.25 108.11 1qhb h VAL 386 Ca -0.00 -0.65 0.01 0.00 -1.23 0.00 0.00 66.70 64.83 1qhb h VAL 386 Cb 0.82 1.65 -0.03 0.00 -2.13 0.00 0.00 31.29 31.60 1qhb h VAL 386 CO 0.02 0.00 0.33 0.00 -1.23 0.00 0.00 177.57 176.70 1qhb h ALA 387 N 2.01 0.67 -0.07 5.19 0.00 -1.65 -2.04 119.26 123.37 1qhb h ALA 387 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1qhb h ALA 387 Cb 0.66 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1qhb h ALA 387 CO 0.00 0.06 -0.50 1.79 0.00 0.00 0.00 179.25 180.61 1qhb h THR 388 N 0.67 1.35 -0.46 0.00 1.35 -1.77 -1.72 112.91 112.32 1qhb h THR 388 Ca 0.20 -1.73 -0.03 0.00 -0.55 0.00 0.00 66.41 64.30 1qhb h THR 388 Cb -0.03 1.86 -0.02 0.00 -1.73 0.00 0.00 68.15 68.22 1qhb h THR 388 CO -0.07 0.51 0.18 0.03 -0.25 0.00 0.00 175.52 175.92 1qhb h ARG 389 N 0.14 0.70 -0.41 4.72 -0.00 -1.63 -2.11 114.38 115.79 1qhb h ARG 389 Ca 0.00 -0.13 -0.11 0.00 -0.50 0.00 0.00 59.98 59.25 1qhb h ARG 389 Cb 0.93 -0.11 -0.02 0.00 0.00 0.00 0.00 29.97 30.77 1qhb h ARG 389 CO 0.07 0.64 -0.18 0.00 0.00 0.00 0.00 179.97 180.50 1qhb h ALA 390 N 1.03 0.92 -0.85 0.04 0.00 -1.20 -3.03 119.26 116.16 1qhb h ALA 390 Ca 0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1qhb h ALA 390 Cb 0.21 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1qhb h ALA 390 CO -0.01 0.62 0.44 -0.07 0.00 0.00 0.00 179.25 180.23 1qhb h LEU 391 N 0.69 1.08 -0.67 0.00 3.38 -1.10 -1.71 115.31 116.98 1qhb h LEU 391 Ca 0.10 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1qhb h LEU 391 Cb 0.68 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1qhb h LEU 391 CO 0.05 0.89 0.22 0.11 0.09 0.00 0.00 178.44 179.80 1qhb h LYS 392 N 1.20 1.03 -0.52 1.13 1.57 -1.27 -0.46 116.57 119.26 1qhb h LYS 392 Ca 0.30 -0.22 -0.12 0.00 -1.87 0.00 0.00 60.65 58.74 1qhb h LYS 392 Cb 0.06 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1qhb h LYS 392 CO -0.04 0.89 -0.15 0.00 -0.57 0.00 0.00 179.45 179.58 1qhb h ALA 393 N 1.09 0.71 0.00 3.86 0.00 -1.37 -2.80 119.26 120.76 1qhb h ALA 393 Ca 0.22 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1qhb h ALA 393 Cb 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1qhb h ALA 393 CO -0.01 0.65 -0.39 -0.24 0.00 0.00 0.00 179.25 179.26 1qhb h VAL 394 N 0.88 0.85 -0.40 0.00 3.04 -1.05 -2.77 116.25 116.80 1qhb h VAL 394 Ca 0.13 -1.64 -0.10 0.00 -1.01 0.00 0.00 66.70 64.08 1qhb h VAL 394 Cb 0.72 2.02 -0.01 0.00 -2.01 0.00 0.00 31.29 32.01 1qhb h VAL 394 CO 0.06 0.38 -0.13 0.03 -1.01 0.00 0.00 177.57 176.89 1qhb h ARG 395 N 0.00 0.79 -0.41 4.17 2.47 -0.91 0.14 114.38 120.62 1qhb h ARG 395 Ca -0.00 -0.32 0.05 0.00 -1.26 0.00 0.00 59.98 58.45 1qhb h ARG 395 Cb 0.99 -0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 29.22 1qhb h ARG 395 CO 0.05 0.94 0.14 -0.92 0.56 0.00 0.00 179.97 180.74 1qhb h TYR 396 N 0.60 0.25 -0.01 3.04 3.20 -1.36 -0.58 116.97 122.11 1qhb h TYR 396 Ca 0.10 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 1qhb h TYR 396 Cb 0.67 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.89 1qhb h TYR 396 CO 0.05 0.09 0.00 1.96 -1.64 0.00 0.00 178.16 178.63 1qhb h GLN 397 N 0.30 0.01 0.08 1.82 1.08 -1.23 0.83 115.11 118.00 1qhb h GLN 397 Ca 0.19 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1qhb h GLN 397 Cb 0.18 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1qhb h GLN 397 CO -0.20 0.08 -0.05 0.87 -0.95 0.00 0.00 178.83 178.58 1qhb h LYS 398 N -0.07 -0.12 0.02 1.46 1.57 -0.40 -1.16 116.57 117.86 1qhb h LYS 398 Ca 0.00 0.01 -0.40 0.00 -1.87 0.00 0.00 60.65 58.39 1qhb h LYS 398 Cb 0.08 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 1qhb h LYS 398 CO -0.00 -0.08 -2.33 1.19 -0.57 0.00 0.00 179.45 177.66 1qhb n PHE 399 N -5.15 0.26 0.06 -1.35 3.72 -0.25 -1.05 117.46 113.70 1qhb n PHE 399 Ca -0.08 0.08 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 1qhb n PHE 399 Cb 0.08 -1.03 -0.10 0.00 -0.94 0.00 0.00 39.48 37.49 1qhb n PHE 399 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1qhb h ASN 400 N -0.42 0.00 0.00 4.37 4.21 -1.00 -3.42 115.58 119.32 1qhb h ASN 400 Ca -0.58 0.00 0.00 0.00 1.21 0.00 0.00 56.30 56.93 1qhb h ASN 400 Cb 1.77 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.97 1qhb h ASN 400 CO -0.19 0.94 0.00 -0.38 -1.29 0.00 0.00 177.43 176.50 1qhb n ILE 401 N -3.31 0.00 0.08 2.81 2.08 -0.76 -4.97 119.36 115.29 1qhb n ILE 401 Ca -0.01 0.21 -0.23 0.00 0.56 0.00 0.00 62.75 63.28 1qhb n ILE 401 Cb 0.92 -1.14 -0.15 0.00 -0.75 0.00 0.00 39.64 38.52 1qhb n ILE 401 CO 0.00 0.00 0.00 0.45 0.56 0.00 0.00 176.55 177.56 1qhb h HIS 402 N 0.00 0.72 -6.39 1.39 3.86 -1.39 -3.46 115.15 109.89 1qhb h HIS 402 Ca 0.00 -0.52 -0.48 0.00 -1.16 0.00 0.00 60.37 58.21 1qhb h HIS 402 Cb 0.00 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.41 1qhb h HIS 402 CO 0.00 1.53 -0.86 0.54 0.86 0.00 0.00 177.93 180.00 1qhb n ARG 403 N -3.84 -3.91 -2.55 2.45 1.74 -0.21 -4.91 116.66 105.43 1qhb n ARG 403 Ca -0.19 0.48 -0.42 0.00 -0.77 0.00 0.00 57.85 56.94 1qhb n ARG 403 Cb 0.99 -4.83 -0.03 0.00 -1.02 0.00 0.00 32.46 27.57 1qhb n ARG 403 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1qhb s ARG 404 N -6.43 4.40 0.35 5.56 3.52 -1.26 -1.29 118.95 123.80 1qhb s ARG 404 Ca 0.11 1.57 -0.28 0.00 -0.13 0.00 0.00 55.73 57.01 1qhb s ARG 404 Cb -0.06 -3.53 -0.12 0.00 -1.56 0.00 0.00 34.95 29.68 1qhb s ARG 404 CO 0.87 -0.36 1.29 1.47 -0.81 0.00 0.00 175.30 177.76 1qhb n LEU 405 N 4.94 3.63 -4.76 -0.88 -0.00 -1.24 -0.63 117.00 118.07 1qhb n LEU 405 Ca 0.10 1.20 -0.32 0.00 -0.00 0.00 0.00 56.01 56.98 1qhb n LEU 405 Cb 0.47 -1.49 0.07 0.00 -0.00 0.00 0.00 43.42 42.48 1qhb n LEU 405 CO 0.54 -0.49 0.73 -0.13 -0.00 0.00 0.00 177.39 178.04 1qhb s ARG 406 N -1.92 2.45 0.45 1.47 1.81 -1.26 -4.65 118.95 117.30 1qhb s ARG 406 Ca 0.56 1.36 0.18 0.00 -1.72 0.00 0.00 55.73 56.10 1qhb s ARG 406 Cb -0.56 -1.91 1.13 0.00 -0.45 0.00 0.00 34.95 33.16 1qhb s ARG 406 CO 0.62 -1.52 1.94 -1.35 -0.68 0.00 0.00 175.30 174.31 1qhb h PRO 407 N -0.51 0.32 -0.72 3.54 0.11 -1.81 -1.02 132.00 131.92 1qhb h PRO 407 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1qhb h PRO 407 Cb 1.25 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1qhb h PRO 407 CO 0.52 0.21 0.46 1.05 -0.21 0.00 0.00 178.00 180.02 1qhb h GLU 408 N 0.33 0.95 -0.48 1.05 4.11 -1.92 -1.28 114.58 117.34 1qhb h GLU 408 Ca 0.34 -0.07 -0.10 0.00 0.07 0.00 0.00 59.36 59.60 1qhb h GLU 408 Cb 0.88 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1qhb h GLU 408 CO -0.09 0.65 -0.10 0.00 0.07 0.00 0.00 179.01 179.54 1qhb h ALA 409 N 1.53 0.66 -0.87 1.06 0.00 -1.54 -1.42 119.26 118.69 1qhb h ALA 409 Ca 0.26 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1qhb h ALA 409 Cb -0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1qhb h ALA 409 CO -0.05 0.56 0.47 1.15 0.00 0.00 0.00 179.25 181.38 1qhb h THR 410 N 0.77 1.25 -0.34 0.00 2.02 -1.26 -1.34 112.91 114.01 1qhb h THR 410 Ca 0.12 -0.62 -0.07 0.00 0.77 0.00 0.00 66.41 66.61 1qhb h THR 410 Cb 0.65 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1qhb h THR 410 CO 0.04 0.28 -0.08 1.23 0.37 0.00 0.00 175.52 177.37 1qhb h GLY 411 N 1.23 0.62 1.49 2.16 0.00 -0.99 -2.38 103.07 105.20 1qhb h GLY 411 Ca 0.31 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 47.11 1qhb h GLY 411 CO -0.05 0.39 -0.28 -1.33 0.00 0.00 0.00 176.54 175.27 1qhb h GLY 412 N 0.92 0.63 0.93 4.60 0.00 -0.22 0.57 103.07 110.51 1qhb h GLY 412 Ca 0.10 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1qhb h GLY 412 CO 0.02 0.50 0.12 1.41 0.00 0.00 0.00 176.54 178.60 1qhb h LEU 413 N 0.51 0.51 0.24 3.11 3.38 -0.88 -1.37 115.31 120.81 1qhb h LEU 413 Ca 0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1qhb h LEU 413 Cb 0.74 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1qhb h LEU 413 CO 0.06 0.56 -0.16 0.40 0.09 0.00 0.00 178.44 179.39 1qhb h ILE 414 N 0.43 0.65 -0.39 1.22 2.04 -1.01 -1.39 117.51 119.06 1qhb h ILE 414 Ca 0.12 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.02 1qhb h ILE 414 Cb 0.23 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1qhb h ILE 414 CO -0.01 0.00 0.16 -1.28 0.00 0.00 0.00 178.15 177.02 1qhb h SER 415 N -0.40 0.20 -0.42 1.72 0.87 -0.78 -1.27 113.55 113.47 1qhb h SER 415 Ca -0.02 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 1qhb h SER 415 Cb 0.34 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 1qhb h SER 415 CO 0.01 0.16 0.10 0.58 -0.53 0.00 0.00 176.83 177.15 1qhb h VAL 416 N 0.34 1.23 -0.37 2.23 2.07 -1.08 -2.27 116.25 118.39 1qhb h VAL 416 Ca 0.17 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1qhb h VAL 416 Cb 0.12 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1qhb h VAL 416 CO -0.15 0.28 0.17 -1.13 0.02 0.00 0.00 177.57 176.75 1qhb h ASN 417 N 0.53 0.50 -0.43 0.57 -0.73 -1.12 -0.36 115.58 114.55 1qhb h ASN 417 Ca 0.13 -0.14 -0.11 0.00 1.87 0.00 0.00 56.30 58.05 1qhb h ASN 417 Cb 0.31 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.76 1qhb h ASN 417 CO 0.00 0.51 -0.15 0.50 -0.37 0.00 0.00 177.43 177.92 1qhb h LYS 418 N 0.46 0.86 -0.31 6.67 3.64 -1.24 -0.93 116.57 125.72 1qhb h LYS 418 Ca 0.13 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 1qhb h LYS 418 Cb 0.15 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1qhb h LYS 418 CO -0.01 0.99 0.17 -0.91 -2.27 0.00 0.00 179.45 177.42 1qhb h ASN 419 N 0.69 0.39 -0.90 4.20 2.35 -1.34 -1.30 115.58 119.67 1qhb h ASN 419 Ca 0.10 -0.08 0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1qhb h ASN 419 Cb 0.70 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.93 1qhb h ASN 419 CO 0.05 0.36 0.59 0.00 -1.65 0.00 0.00 177.43 176.78 1qhb h ALA 420 N 1.04 1.42 -0.29 -0.83 0.00 -0.86 -1.91 119.26 117.84 1qhb h ALA 420 Ca 0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1qhb h ALA 420 Cb 0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1qhb h ALA 420 CO -0.02 0.50 0.06 0.35 0.00 0.00 0.00 179.25 180.15 1qhb h PHE 421 N 1.14 0.50 0.00 0.00 3.57 -0.83 0.20 116.94 121.52 1qhb h PHE 421 Ca 0.35 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 1qhb h PHE 421 Cb -0.02 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 1qhb h PHE 421 CO -0.00 0.55 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.54 1qhb h LEU 422 N 0.30 0.00 -3.80 0.59 3.38 -0.48 0.19 115.31 115.50 1qhb h LEU 422 Ca 0.09 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.69 1qhb h LEU 422 Cb 0.31 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.84 1qhb h LEU 422 CO 0.00 0.02 0.47 0.29 0.09 0.00 0.00 178.44 179.32 1qhb n LYS 423 N -3.76 2.83 -3.30 1.13 4.01 -0.88 -4.98 118.16 113.21 1qhb n LYS 423 Ca -0.03 -2.91 -0.23 0.00 -0.51 0.00 0.00 58.31 54.64 1qhb n LYS 423 Cb 0.11 -2.15 0.02 0.00 -0.51 0.00 0.00 35.03 32.50 1qhb n LYS 423 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1qhb n SER 424 N -0.66 -6.21 -3.60 4.39 2.88 0.68 -5.01 113.62 106.10 1qhb n SER 424 Ca 0.50 0.17 -0.08 0.00 -1.33 0.00 0.00 58.87 58.12 1qhb n SER 424 Cb 1.51 -2.23 -0.05 0.00 -0.75 0.00 0.00 64.21 62.69 1qhb n SER 424 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1qhb s GLU 425 N -2.00 0.44 -0.26 -1.46 2.12 0.03 -4.96 118.70 112.60 1qhb s GLU 425 Ca 0.24 0.15 -0.05 0.00 0.36 0.00 0.00 54.97 55.67 1qhb s GLU 425 Cb -0.03 0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.58 1qhb s GLU 425 CO 0.61 -0.13 0.02 -1.12 -0.54 0.00 0.00 175.26 174.09 1qhb s SER 426 N -0.94 4.73 -0.06 -1.70 0.01 -1.26 -2.95 113.70 111.53 1qhb s SER 426 Ca 0.01 -0.61 0.01 0.00 1.31 0.00 0.00 55.95 56.67 1qhb s SER 426 Cb -0.01 -1.80 0.02 0.00 0.21 0.00 0.00 66.02 64.44 1qhb s SER 426 CO -0.02 -0.12 -0.05 -0.69 0.41 0.00 0.00 173.24 172.77 1qhb s VAL 427 N 1.47 0.66 -1.01 3.43 1.01 -1.26 -4.89 120.40 119.80 1qhb s VAL 427 Ca 0.03 -0.16 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 1qhb s VAL 427 Cb -0.16 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1qhb s VAL 427 CO -0.01 0.27 0.85 0.49 0.00 0.00 0.00 175.10 176.70 1qhb n PHE 428 N 4.25 -2.42 0.31 5.22 3.72 -1.26 -4.24 117.46 123.04 1qhb n PHE 428 Ca -0.21 0.82 0.20 0.00 -0.05 0.00 0.00 57.45 58.21 1qhb n PHE 428 Cb 0.51 -3.94 0.98 0.00 -0.94 0.00 0.00 39.48 36.09 1qhb n PHE 428 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1qhb h PRO 429 N -0.98 0.00 0.00 -1.08 0.13 -1.99 -1.29 132.00 126.78 1qhb h PRO 429 Ca -0.52 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 1qhb h PRO 429 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1qhb h PRO 429 CO 0.42 0.01 -0.05 0.93 -0.23 0.00 0.00 178.00 179.08 1qhb h GLU 430 N 0.00 0.00 -0.57 0.86 3.07 -2.02 -0.41 114.58 115.51 1qhb h GLU 430 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1qhb h GLU 430 Cb 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1qhb h GLU 430 CO 0.00 0.05 0.00 1.33 -1.40 0.00 0.00 179.01 178.99 1qhb n VAL 431 N -4.12 2.40 -0.19 3.13 0.24 -0.49 -4.57 118.33 114.74 1qhb n VAL 431 Ca -0.03 -1.38 -0.01 0.00 -2.04 0.00 0.00 64.34 60.88 1qhb n VAL 431 Cb 0.14 -0.13 0.09 0.00 -1.47 0.00 0.00 33.84 32.46 1qhb n VAL 431 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1qhb h ASP 432 N 3.82 0.21 -0.12 -1.34 3.32 -1.21 0.15 116.42 121.24 1qhb h ASP 432 Ca 0.00 0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 1qhb h ASP 432 Cb 1.75 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 41.34 1qhb h ASP 432 CO 0.38 0.14 -0.33 0.58 -1.72 0.00 0.00 179.24 178.29 1qhb h VAL 433 N 0.39 1.28 -0.09 -1.35 2.07 -1.81 -0.54 116.25 116.21 1qhb h VAL 433 Ca 0.28 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 1qhb h VAL 433 Cb 0.32 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1qhb h VAL 433 CO -0.28 0.47 0.04 0.25 0.02 0.00 0.00 177.57 178.06 1qhb h LEU 434 N 0.52 0.12 -0.71 2.57 5.85 -1.50 -1.22 115.31 120.94 1qhb h LEU 434 Ca 0.06 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 1qhb h LEU 434 Cb 0.82 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 1qhb h LEU 434 CO 0.07 0.24 0.26 0.58 -0.34 0.00 0.00 178.44 179.25 1qhb h VAL 435 N -0.01 1.25 -0.36 1.05 2.07 -0.88 -2.53 116.25 116.83 1qhb h VAL 435 Ca 0.03 -0.82 -0.10 0.00 0.82 0.00 0.00 66.70 66.63 1qhb h VAL 435 Cb 0.16 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1qhb h VAL 435 CO -0.00 0.33 -0.16 -0.08 0.02 0.00 0.00 177.57 177.68 1qhb h GLU 436 N 1.03 0.75 0.00 1.57 4.81 -0.90 -2.93 114.58 118.91 1qhb h GLU 436 Ca 0.23 -0.32 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 1qhb h GLU 436 Cb 0.25 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1qhb h GLU 436 CO -0.01 0.93 -0.21 0.93 -0.73 0.00 0.00 179.01 179.92 1qhb h GLU 437 N 0.54 0.00 -0.42 1.92 4.39 -1.05 -3.06 114.58 116.90 1qhb h GLU 437 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1qhb h GLU 437 Cb 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1qhb h GLU 437 CO 0.05 0.21 0.00 1.28 -1.16 0.00 0.00 179.01 179.39 1qhb n LEU 438 N -3.38 2.86 -0.32 1.33 4.77 -0.97 -4.75 117.00 116.54 1qhb n LEU 438 Ca 0.00 -1.32 -0.04 0.00 -0.03 0.00 0.00 56.01 54.62 1qhb n LEU 438 Cb 0.41 -0.28 0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1qhb n LEU 438 CO 0.33 0.66 0.59 0.77 -1.33 0.00 0.00 177.39 178.41 1qhb h SER 439 N 3.42 -1.44 -0.56 -1.43 4.64 -1.41 0.71 113.55 117.48 1qhb h SER 439 Ca 0.00 0.28 -0.09 0.00 -0.47 0.00 0.00 61.79 61.51 1qhb h SER 439 Cb 0.77 0.72 -0.02 0.00 -0.31 0.00 0.00 62.40 63.56 1qhb h SER 439 CO 0.00 -0.29 0.01 0.77 -0.87 0.00 0.00 176.83 176.45 1qhb h SER 440 N -0.07 0.99 -0.78 4.97 4.64 -1.88 -2.47 113.55 118.94 1qhb h SER 440 Ca 0.28 -0.27 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1qhb h SER 440 Cb 0.57 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.35 1qhb h SER 440 CO -0.87 1.03 0.47 0.40 -0.87 0.00 0.00 176.83 176.99 1qhb h ILE 441 N 0.93 1.22 0.00 0.95 2.04 -1.61 -2.34 117.51 118.69 1qhb h ILE 441 Ca 0.17 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 1qhb h ILE 441 Cb 0.52 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1qhb h ILE 441 CO 0.03 0.23 -0.17 -0.07 0.00 0.00 0.00 178.15 178.17 1qhb h LEU 442 N 1.07 0.00 -0.22 1.44 3.38 -0.47 -1.84 115.31 118.67 1qhb h LEU 442 Ca 0.28 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 1qhb h LEU 442 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1qhb h LEU 442 CO -0.05 0.17 0.00 0.44 0.09 0.00 0.00 178.44 179.09 1qhb h ASP 443 N 0.00 0.38 -0.74 -0.43 3.32 -1.00 -0.90 116.42 117.04 1qhb h ASP 443 Ca -0.00 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1qhb h ASP 443 Cb 0.31 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 1qhb h ASP 443 CO 0.02 0.59 0.47 0.44 -1.72 0.00 0.00 179.24 179.04 1qhb h ASP 444 N 0.15 0.88 -0.38 6.45 3.32 -1.28 -2.78 116.42 122.78 1qhb h ASP 444 Ca 0.06 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1qhb h ASP 444 Cb 0.40 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1qhb h ASP 444 CO 0.01 0.66 0.11 -1.28 -1.72 0.00 0.00 179.24 177.02 1qhb h SER 445 N 1.01 0.56 -0.88 6.45 0.87 -1.24 -1.81 113.55 118.52 1qhb h SER 445 Ca 0.27 -0.21 0.06 0.00 -1.23 0.00 0.00 61.79 60.67 1qhb h SER 445 Cb -0.07 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 61.69 1qhb h SER 445 CO -0.05 0.62 0.57 0.00 -0.53 0.00 0.00 176.83 177.44 1qhb h ALA 446 N 0.96 1.52 -0.20 6.23 0.00 -1.02 0.77 119.26 127.51 1qhb h ALA 446 Ca 0.12 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1qhb h ALA 446 Cb 0.27 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1qhb h ALA 446 CO -0.00 0.36 -0.09 1.03 0.00 0.00 0.00 179.25 180.55 1qhb h SER 447 N 1.02 0.43 -0.51 0.00 0.87 -1.30 -0.28 113.55 113.77 1qhb h SER 447 Ca 0.37 -0.40 -0.08 0.00 -1.23 0.00 0.00 61.79 60.45 1qhb h SER 447 Cb 0.16 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1qhb h SER 447 CO -0.13 0.73 0.02 -1.28 -0.53 0.00 0.00 176.83 175.64 1qhb h SER 448 N 0.12 0.91 -0.50 6.23 0.87 -0.80 -2.48 113.55 117.91 1qhb h SER 448 Ca 0.05 -0.23 -0.09 0.00 -1.23 0.00 0.00 61.79 60.28 1qhb h SER 448 Cb 0.57 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 1qhb h SER 448 CO 0.03 0.96 -0.02 0.78 -0.53 0.00 0.00 176.83 178.04 1qhb h ASN 449 N 0.87 0.92 -0.78 6.23 2.35 -0.78 -1.80 115.58 122.59 1qhb h ASN 449 Ca 0.16 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 1qhb h ASN 449 Cb 0.49 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 1qhb h ASN 449 CO 0.02 0.99 0.39 -0.08 -1.65 0.00 0.00 177.43 177.11 1qhb h GLU 450 N 0.86 1.11 -0.45 0.81 4.81 -0.73 0.27 114.58 121.27 1qhb h GLU 450 Ca 0.15 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1qhb h GLU 450 Cb 0.54 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1qhb h GLU 450 CO 0.03 0.84 -0.06 0.87 -0.73 0.00 0.00 179.01 179.97 1qhb h LYS 451 N 1.11 0.84 -0.36 1.92 1.57 -1.12 -0.95 116.57 119.58 1qhb h LYS 451 Ca 0.27 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1qhb h LYS 451 Cb 0.08 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1qhb h LYS 451 CO -0.04 0.92 0.16 0.37 -0.57 0.00 0.00 179.45 180.30 1qhb h GLN 452 N 0.68 0.53 -0.32 3.15 5.75 -0.86 -0.79 115.11 123.25 1qhb h GLN 452 Ca 0.12 -0.09 -0.07 0.00 -0.15 0.00 0.00 58.65 58.47 1qhb h GLN 452 Cb 0.58 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.02 1qhb h GLN 452 CO 0.03 0.50 -0.09 -0.91 -2.65 0.00 0.00 178.83 175.72 1qhb h ASN 453 N 0.45 0.50 -0.00 -0.69 2.35 -0.31 -1.38 115.58 116.49 1qhb h ASN 453 Ca 0.12 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1qhb h ASN 453 Cb 0.15 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 1qhb h ASN 453 CO -0.01 0.63 -0.00 0.40 -1.65 0.00 0.00 177.43 176.80 1qhb h ILE 454 N 0.49 1.26 -0.62 2.81 2.04 -0.84 -1.47 117.51 121.19 1qhb h ILE 454 Ca 0.10 -0.78 0.02 0.00 1.00 0.00 0.00 64.86 65.20 1qhb h ILE 454 Cb 0.45 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 1qhb h ILE 454 CO 0.02 0.20 0.41 0.00 0.00 0.00 0.00 178.15 178.79 1qhb h ALA 455 N 0.67 1.62 0.00 1.87 0.00 -0.94 -2.00 119.26 120.49 1qhb h ALA 455 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1qhb h ALA 455 Cb 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1qhb h ALA 455 CO 0.00 0.33 -0.27 -0.25 0.00 0.00 0.00 179.25 179.06 1qhb n ASP 456 N -4.45 0.38 -0.83 0.00 8.00 -0.54 -4.95 116.55 114.15 1qhb n ASP 456 Ca 0.07 0.19 -0.08 0.00 0.71 0.00 0.00 54.79 55.67 1qhb n ASP 456 Cb 0.09 -0.17 -0.01 0.00 -0.02 0.00 0.00 41.12 41.01 1qhb n ASP 456 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qhb n GLY 457 N 1.45 0.37 3.71 0.44 0.00 -0.60 -5.02 105.19 105.54 1qhb n GLY 457 Ca 0.06 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 1qhb n GLY 457 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qhb s ASP 458 N -2.73 6.22 -0.05 1.61 1.01 -0.95 -5.05 116.67 116.74 1qhb s ASP 458 Ca 0.00 0.24 0.05 0.00 0.71 0.00 0.00 52.55 53.56 1qhb s ASP 458 Cb 0.00 -2.11 -0.01 0.00 1.01 0.00 0.00 42.92 41.81 1qhb s ASP 458 CO 0.00 0.12 -0.22 -0.69 0.21 0.00 0.00 175.17 174.60 1qhb s VAL 459 N 0.63 1.78 -0.01 -1.27 1.01 -1.26 -4.64 120.40 116.63 1qhb s VAL 459 Ca 0.09 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 1qhb s VAL 459 Cb -0.12 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1qhb s VAL 459 CO 0.01 0.50 0.22 -0.44 0.00 0.00 0.00 175.10 175.39 1qhb s SER 460 N -0.12 -0.09 0.44 3.32 0.01 -1.26 -4.87 113.70 111.14 1qhb s SER 460 Ca -0.03 -0.01 -0.25 0.00 1.31 0.00 0.00 55.95 56.97 1qhb s SER 460 Cb -0.12 0.28 -0.08 0.00 0.21 0.00 0.00 66.02 66.31 1qhb s SER 460 CO 0.03 -0.37 1.34 -2.84 0.41 0.00 0.00 173.24 171.80 1qhb s PRO 461 N -1.20 3.75 0.00 12.44 0.02 -1.26 -4.83 135.00 143.93 1qhb s PRO 461 Ca -0.13 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.10 1qhb s PRO 461 Cb -0.06 -2.63 0.00 0.00 0.02 0.00 0.00 34.50 31.83 1qhb s PRO 461 CO 0.02 -0.69 0.00 0.41 -0.33 0.00 0.00 177.00 176.42 1qhb n GLY 462 N 0.63 -0.82 3.88 0.52 0.00 -1.26 -4.95 105.19 103.18 1qhb n GLY 462 Ca 0.05 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 1qhb n GLY 462 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qhb s LYS 463 N -1.41 1.89 -0.14 1.61 1.02 -1.26 -5.06 119.74 116.38 1qhb s LYS 463 Ca 0.00 0.16 0.01 0.00 0.02 0.00 0.00 55.97 56.16 1qhb s LYS 463 Cb 0.00 -1.94 0.02 0.00 -0.52 0.00 0.00 37.83 35.39 1qhb s LYS 463 CO 0.00 -1.66 -0.17 0.45 -0.92 0.00 0.00 175.35 173.05 1qhb s SER 464 N -4.48 2.74 -0.14 2.83 0.15 -1.26 -4.96 113.70 108.58 1qhb s SER 464 Ca 0.62 -0.51 0.15 0.00 0.70 0.00 0.00 55.95 56.92 1qhb s SER 464 Cb -0.12 -1.24 0.43 0.00 -1.71 0.00 0.00 66.02 63.39 1qhb s SER 464 CO 0.50 -0.00 1.33 0.49 1.20 0.00 0.00 173.24 176.76 1qhb n PHE 465 N 4.44 0.68 -1.81 3.44 3.72 -1.26 -3.82 117.46 122.84 1qhb n PHE 465 Ca -0.19 -0.82 -0.36 0.00 -0.05 0.00 0.00 57.45 56.04 1qhb n PHE 465 Cb 0.51 -0.23 0.05 0.00 -0.94 0.00 0.00 39.48 38.87 1qhb n PHE 465 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1qhb s LEU 466 N -2.47 3.55 -0.33 4.37 1.43 -1.26 -4.50 118.68 119.46 1qhb s LEU 466 Ca 0.36 2.39 -0.29 0.00 -1.03 0.00 0.00 54.13 55.56 1qhb s LEU 466 Cb 0.28 -4.60 0.01 0.00 0.03 0.00 0.00 46.19 41.92 1qhb s LEU 466 CO 0.09 -1.82 1.22 -0.22 0.23 0.00 0.00 176.35 175.84 1qhb s LEU 467 N -4.43 3.85 0.23 1.79 2.96 -1.26 -4.96 118.68 116.86 1qhb s LEU 467 Ca 0.77 1.06 -0.32 0.00 -0.22 0.00 0.00 54.13 55.42 1qhb s LEU 467 Cb -0.31 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 42.72 1qhb s LEU 467 CO 0.38 -1.06 1.61 -2.65 -1.32 0.00 0.00 176.35 173.31 1qhb n PRO 468 N 7.28 2.51 -3.73 0.98 -0.02 -1.26 -4.84 135.00 135.92 1qhb n PRO 468 Ca 0.14 0.90 -0.35 0.00 -2.02 0.00 0.00 63.50 62.17 1qhb n PRO 468 Cb 0.47 -2.68 -0.05 0.00 -0.02 0.00 0.00 33.50 31.21 1qhb n PRO 468 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1qhb s MET 469 N 0.41 3.61 0.41 -0.52 -1.94 0.02 -4.78 119.30 116.51 1qhb s MET 469 Ca 0.72 -0.03 0.23 0.00 -1.71 0.00 0.00 55.69 54.90 1qhb s MET 469 Cb -0.56 -3.08 0.38 0.00 2.01 0.00 0.00 34.83 33.57 1qhb s MET 469 CO 0.41 0.65 1.61 0.00 -0.01 0.00 0.00 175.02 177.67 1qhb h ALA 470 N 4.04 0.99 -3.97 3.03 0.00 -1.73 0.86 119.26 122.48 1qhb h ALA 470 Ca -0.50 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 53.72 1qhb h ALA 470 Cb 1.20 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.77 1qhb h ALA 470 CO 0.65 0.00 -0.78 -0.06 0.00 0.00 0.00 179.25 179.06 1qhb s PHE 471 N -3.20 2.65 0.31 0.00 0.08 -1.26 -4.85 117.98 111.70 1qhb s PHE 471 Ca 0.07 -0.20 0.03 0.00 0.12 0.00 0.00 56.93 56.95 1qhb s PHE 471 Cb 0.06 -1.55 0.50 0.00 -0.57 0.00 0.00 43.02 41.46 1qhb s PHE 471 CO 0.67 0.23 1.80 0.00 -0.10 0.00 0.00 175.22 177.81 1qhb h ALA 472 N 4.87 1.23 -0.01 5.36 0.00 -1.87 -1.33 119.26 127.51 1qhb h ALA 472 Ca -0.47 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1qhb h ALA 472 Cb 1.15 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1qhb h ALA 472 CO 0.49 0.50 -0.14 -0.85 0.00 0.00 0.00 179.25 179.26 1qhb n GLU 473 N -4.20 1.18 0.00 0.00 0.00 -1.26 -4.75 120.64 111.61 1qhb n GLU 473 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 57.16 56.50 1qhb n GLU 473 Cb 0.32 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.28 1qhb n GLU 473 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1qhb n GLY 474 N 1.26 0.60 3.80 -1.84 0.00 -0.50 -4.81 105.19 103.71 1qhb n GLY 474 Ca 0.15 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 1qhb n GLY 474 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qhb s SER 475 N -4.00 5.27 1.19 1.61 1.04 -1.26 -4.82 113.70 112.73 1qhb s SER 475 Ca 0.00 1.71 -0.16 0.00 0.48 0.00 0.00 55.95 57.98 1qhb s SER 475 Cb 0.00 -2.51 0.24 0.00 0.10 0.00 0.00 66.02 63.85 1qhb s SER 475 CO 0.00 -1.52 0.62 -2.65 0.98 0.00 0.00 173.24 170.68 1qhb n PRO 476 N -2.98 -2.47 -1.30 4.02 -0.02 -1.26 -4.86 135.00 126.13 1qhb n PRO 476 Ca 0.08 -0.70 -0.22 0.00 -2.02 0.00 0.00 63.50 60.64 1qhb n PRO 476 Cb 0.53 -1.96 -0.10 0.00 -0.02 0.00 0.00 33.50 31.95 1qhb n PRO 476 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1qhb n PHE 477 N -4.90 1.01 -3.55 6.00 3.01 -1.26 -4.83 117.46 112.93 1qhb n PHE 477 Ca 0.02 -1.86 -0.15 0.00 1.01 0.00 0.00 57.45 56.48 1qhb n PHE 477 Cb 0.57 -1.55 -0.05 0.00 -0.01 0.00 0.00 39.48 38.43 1qhb n PHE 477 CO 0.00 0.00 0.00 -3.38 1.01 0.00 0.00 176.76 174.39 1qhb s HIS 478 N -0.34 -0.48 1.03 1.38 -3.43 -1.26 -2.80 115.29 109.41 1qhb s HIS 478 Ca 0.63 0.59 -0.13 0.00 -0.80 0.00 0.00 55.06 55.35 1qhb s HIS 478 Cb 0.34 0.37 0.17 0.00 -1.43 0.00 0.00 32.58 32.02 1qhb s HIS 478 CO -0.11 -0.65 0.81 -2.30 -2.00 0.00 0.00 174.74 170.48 1qhb n PRO 479 N 0.47 -1.22 0.21 -0.38 -0.02 -1.26 -4.94 135.00 127.86 1qhb n PRO 479 Ca -0.18 -0.31 0.11 0.00 -2.02 0.00 0.00 63.50 61.10 1qhb n PRO 479 Cb 0.60 -2.12 0.17 0.00 -0.02 0.00 0.00 33.50 32.13 1qhb n PRO 479 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1qhb h SER 480 N -2.11 0.00 -3.33 2.55 0.87 -1.14 -3.46 113.55 106.94 1qhb h SER 480 Ca -0.50 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 59.51 1qhb h SER 480 Cb 1.30 0.00 -0.38 0.00 -0.44 0.00 0.00 62.40 62.89 1qhb h SER 480 CO 0.42 0.05 -0.79 -0.47 -0.53 0.00 0.00 176.83 175.50 1qhb s TYR 481 N -3.20 1.65 0.00 2.24 5.04 -1.26 -4.19 117.35 117.63 1qhb s TYR 481 Ca 0.07 -1.06 0.00 0.00 -2.44 0.00 0.00 57.07 53.64 1qhb s TYR 481 Cb 0.05 -1.29 0.00 0.00 0.35 0.00 0.00 41.96 41.07 1qhb s TYR 481 CO 0.67 -0.61 0.00 0.41 -1.34 0.00 0.00 175.55 174.68 1qhb n GLY 482 N 4.89 1.32 3.35 8.97 0.00 -1.26 -2.76 105.19 119.70 1qhb n GLY 482 Ca -0.12 -1.74 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 1qhb n GLY 482 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qhb s SER 483 N -1.00 3.33 0.10 1.61 0.15 -1.25 -4.85 113.70 111.78 1qhb s SER 483 Ca 0.00 -0.40 -0.17 0.00 0.70 0.00 0.00 55.95 56.08 1qhb s SER 483 Cb 0.00 -0.56 -0.06 0.00 -1.71 0.00 0.00 66.02 63.69 1qhb s SER 483 CO 0.00 0.31 1.52 1.23 1.20 0.00 0.00 173.24 177.50 1qhb h GLY 484 N 5.55 0.61 0.99 9.45 0.00 -1.95 -0.35 103.07 117.36 1qhb h GLY 484 Ca -0.42 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.43 1qhb h GLY 484 CO 0.48 0.43 0.30 0.45 0.00 0.00 0.00 176.54 178.20 1qhb h HIS 485 N 0.34 0.65 -0.10 5.60 3.86 -1.95 -2.38 115.15 121.17 1qhb h HIS 485 Ca 0.08 -0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.13 1qhb h HIS 485 Cb 0.50 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1qhb h HIS 485 CO 0.04 0.45 -0.62 0.00 0.86 0.00 0.00 177.93 178.66 1qhb h ALA 486 N 1.14 0.76 -0.49 2.45 0.00 -1.87 -0.79 119.26 120.46 1qhb h ALA 486 Ca 0.18 -0.55 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 1qhb h ALA 486 Cb -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1qhb h ALA 486 CO -0.03 0.73 -0.17 -0.24 0.00 0.00 0.00 179.25 179.53 1qhb h VAL 487 N 0.25 1.27 -0.41 0.00 3.04 -0.99 -0.38 116.25 119.03 1qhb h VAL 487 Ca -0.01 -1.32 -0.13 0.00 -1.01 0.00 0.00 66.70 64.22 1qhb h VAL 487 Cb 1.15 1.07 -0.01 0.00 -2.01 0.00 0.00 31.29 31.48 1qhb h VAL 487 CO 0.10 0.46 -0.27 0.58 -1.01 0.00 0.00 177.57 177.44 1qhb h VAL 488 N 0.85 1.28 -0.43 1.51 2.07 -1.39 -1.58 116.25 118.56 1qhb h VAL 488 Ca 0.12 -1.43 0.02 0.00 0.82 0.00 0.00 66.70 66.23 1qhb h VAL 488 Cb 0.73 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1qhb h VAL 488 CO 0.06 0.48 0.26 0.00 0.02 0.00 0.00 177.57 178.39 1qhb h ALA 489 N 0.81 0.54 -0.85 1.67 0.00 -0.76 0.05 119.26 120.71 1qhb h ALA 489 Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1qhb h ALA 489 Cb 0.84 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1qhb h ALA 489 CO 0.07 -0.06 0.46 0.78 0.00 0.00 0.00 179.25 180.50 1qhb h GLY 490 N 0.52 1.28 0.63 0.00 0.00 -0.90 -1.36 103.07 103.23 1qhb h GLY 490 Ca 0.17 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 1qhb h GLY 490 CO -0.07 0.56 -0.19 0.00 0.00 0.00 0.00 176.54 176.83 1qhb h ALA 491 N 1.31 0.12 -0.34 3.60 0.00 -0.91 -2.91 119.26 120.13 1qhb h ALA 491 Ca 0.30 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1qhb h ALA 491 Cb 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1qhb h ALA 491 CO -0.05 0.07 0.17 0.00 0.00 0.00 0.00 179.25 179.44 1qhb h VAL 493 N 0.41 0.90 -0.09 0.00 -1.51 -1.36 -1.74 116.25 112.87 1qhb h VAL 493 Ca 0.12 -1.41 -0.00 0.00 -1.23 0.00 0.00 66.70 64.17 1qhb h VAL 493 Cb 0.10 1.85 -0.00 0.00 -2.13 0.00 0.00 31.29 31.11 1qhb h VAL 493 CO -0.02 0.35 0.05 0.74 -1.23 0.00 0.00 177.57 177.46 1qhb h THR 494 N 0.00 1.07 -0.48 7.19 2.02 -1.37 -0.13 112.91 121.21 1qhb h THR 494 Ca -0.00 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 67.02 1qhb h THR 494 Cb 0.82 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 1qhb h THR 494 CO 0.05 0.06 0.26 0.40 0.37 0.00 0.00 175.52 176.65 1qhb h ILE 495 N 0.06 1.00 -0.32 3.11 1.08 -1.00 -1.14 117.51 120.29 1qhb h ILE 495 Ca 0.03 -0.17 -0.06 0.00 -0.39 0.00 0.00 64.86 64.26 1qhb h ILE 495 Cb 0.06 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 34.23 1qhb h ILE 495 CO -0.01 0.09 -0.06 -0.07 -0.69 0.00 0.00 178.15 177.42 1qhb h LEU 496 N 0.51 0.50 -0.28 1.44 3.38 -1.02 -1.32 115.31 118.52 1qhb h LEU 496 Ca 0.20 -0.11 -0.20 0.00 0.09 0.00 0.00 57.88 57.86 1qhb h LEU 496 Cb 0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1qhb h LEU 496 CO -0.12 0.61 -0.88 0.11 0.09 0.00 0.00 178.44 178.25 1qhb h LYS 497 N 0.50 0.15 -0.09 1.13 1.57 -0.71 -1.51 116.57 117.61 1qhb h LYS 497 Ca 0.10 -0.17 -0.16 0.00 -1.87 0.00 0.00 60.65 58.54 1qhb h LYS 497 Cb 0.42 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1qhb h LYS 497 CO 0.02 0.94 -0.64 0.00 -0.57 0.00 0.00 179.45 179.19 1qhb h ALA 498 N 1.00 0.73 0.16 3.86 0.00 -0.86 -3.35 119.26 120.80 1qhb h ALA 498 Ca -0.04 -0.56 -0.31 0.00 0.00 0.00 0.00 54.91 53.99 1qhb h ALA 498 Cb 1.52 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.24 1qhb h ALA 498 CO 0.13 0.74 -1.49 0.35 0.00 0.00 0.00 179.25 178.98 1qhb h PHE 499 N 0.25 0.63 -1.97 0.00 3.04 -1.15 -3.38 116.94 114.36 1qhb h PHE 499 Ca -0.01 -0.46 -0.43 0.00 3.98 0.00 0.00 57.97 61.05 1qhb h PHE 499 Cb 1.18 -0.03 0.03 0.00 2.56 0.00 0.00 35.95 39.69 1qhb h PHE 499 CO 0.03 1.45 -0.19 -0.06 -2.02 0.00 0.00 178.31 177.52 1qhb s PHE 500 N -2.62 2.93 -0.98 0.41 0.08 -0.58 -0.42 117.98 116.80 1qhb s PHE 500 Ca -0.09 -0.18 -0.23 0.00 0.12 0.00 0.00 56.93 56.55 1qhb s PHE 500 Cb 0.06 -2.41 0.04 0.00 -0.57 0.00 0.00 43.02 40.14 1qhb s PHE 500 CO 0.88 -0.47 1.49 0.34 -0.10 0.00 0.00 175.22 177.37 1qhb s ASP 501 N -4.32 6.33 0.53 1.36 2.15 -0.37 -3.79 116.67 118.57 1qhb s ASP 501 Ca 0.53 -1.29 0.24 0.00 0.43 0.00 0.00 52.55 52.47 1qhb s ASP 501 Cb -0.10 -2.57 1.48 0.00 -0.30 0.00 0.00 42.92 41.44 1qhb s ASP 501 CO 0.35 -1.66 2.14 0.00 -0.17 0.00 0.00 175.17 175.82 1qhb h ALA 502 N 10.01 1.54 -0.30 3.66 0.00 -1.89 -2.03 119.26 130.24 1qhb h ALA 502 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1qhb h ALA 502 Cb 1.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1qhb h ALA 502 CO 1.40 0.09 0.00 0.09 0.00 0.00 0.00 179.25 180.83 1qhb n ASN 503 N -3.96 2.33 -4.74 0.00 3.02 -1.26 -0.00 115.26 110.65 1qhb n ASN 503 Ca -0.03 -1.86 -0.41 0.00 -0.03 0.00 0.00 54.58 52.26 1qhb n ASN 503 Cb 0.16 -0.19 0.01 0.00 -0.61 0.00 0.00 39.78 39.15 1qhb n ASN 503 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1qhb n PHE 504 N 0.76 2.52 -3.65 3.10 7.35 -0.77 -4.75 117.46 122.03 1qhb n PHE 504 Ca 0.17 0.47 -0.37 0.00 -0.76 0.00 0.00 57.45 56.95 1qhb n PHE 504 Cb 0.42 -2.44 -0.06 0.00 0.35 0.00 0.00 39.48 37.75 1qhb n PHE 504 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 1qhb s GLN 505 N -2.28 3.73 -0.26 -4.13 -0.21 -1.26 -1.79 119.66 113.46 1qhb s GLN 505 Ca 0.60 0.19 -0.09 0.00 0.02 0.00 0.00 55.36 56.07 1qhb s GLN 505 Cb -0.48 -3.19 -0.04 0.00 1.00 0.00 0.00 33.01 30.30 1qhb s GLN 505 CO 0.59 0.71 0.12 0.42 -2.12 0.00 0.00 175.29 175.02 1qhb s ILE 506 N -1.09 4.80 -0.34 1.08 1.01 0.10 -4.95 121.20 121.81 1qhb s ILE 506 Ca 0.21 -0.01 0.22 0.00 0.00 0.00 0.00 60.65 61.08 1qhb s ILE 506 Cb -0.15 -3.26 -0.23 0.00 0.01 0.00 0.00 42.46 38.83 1qhb s ILE 506 CO 0.11 0.31 0.73 0.47 0.00 0.00 0.00 174.94 176.56 1qhb n ASP 507 N 4.86 0.40 -4.47 3.58 8.00 -1.26 -0.87 116.55 126.78 1qhb n ASP 507 Ca -0.15 -0.17 -0.38 0.00 0.71 0.00 0.00 54.79 54.80 1qhb n ASP 507 Cb 0.52 1.40 -0.12 0.00 -0.02 0.00 0.00 41.12 42.90 1qhb n ASP 507 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1qhb s GLN 508 N -3.35 3.54 -0.21 -1.24 -0.21 -1.26 -4.88 119.66 112.05 1qhb s GLN 508 Ca -0.02 -0.57 -0.02 0.00 0.02 0.00 0.00 55.36 54.76 1qhb s GLN 508 Cb 0.14 -3.52 0.01 0.00 1.00 0.00 0.00 33.01 30.64 1qhb s GLN 508 CO 0.87 -0.31 -0.09 0.08 -2.12 0.00 0.00 175.29 173.72 1qhb s VAL 509 N 1.64 2.93 0.27 1.09 1.01 -1.26 -5.01 120.40 121.07 1qhb s VAL 509 Ca 0.06 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.43 1qhb s VAL 509 Cb -0.16 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1qhb s VAL 509 CO 0.06 0.42 0.01 -0.36 0.00 0.00 0.00 175.10 175.23 1qhb s PHE 510 N 1.40 2.70 0.15 5.22 0.08 -1.26 -1.02 117.98 125.25 1qhb s PHE 510 Ca 0.05 -0.23 -0.07 0.00 0.12 0.00 0.00 56.93 56.79 1qhb s PHE 510 Cb -0.14 -1.23 -0.02 0.00 -0.57 0.00 0.00 43.02 41.06 1qhb s PHE 510 CO -0.06 0.60 0.22 -1.21 -0.10 0.00 0.00 175.22 174.67 1qhb s GLU 511 N -3.69 1.06 0.03 0.44 2.02 -0.49 -4.76 118.70 113.32 1qhb s GLU 511 Ca 0.32 -1.21 -0.28 0.00 0.02 0.00 0.00 54.97 53.82 1qhb s GLU 511 Cb -0.06 0.34 -0.05 0.00 0.10 0.00 0.00 34.13 34.47 1qhb s GLU 511 CO 0.20 -0.37 0.88 0.08 0.02 0.00 0.00 175.26 176.07 1qhb s VAL 512 N -3.97 4.76 0.54 2.63 1.01 -1.26 -0.32 120.40 123.78 1qhb s VAL 512 Ca 0.17 1.86 -0.21 0.00 0.00 0.00 0.00 61.98 63.80 1qhb s VAL 512 Cb 0.04 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 1qhb s VAL 512 CO -0.01 0.27 1.10 -0.67 0.00 0.00 0.00 175.10 175.79 1qhb n ASP 513 N 3.29 1.52 0.15 3.32 2.03 0.41 -4.79 116.55 122.48 1qhb n ASP 513 Ca 0.02 0.92 0.02 0.00 0.52 0.00 0.00 54.79 56.27 1qhb n ASP 513 Cb 0.50 -1.44 0.16 0.00 -0.72 0.00 0.00 41.12 39.62 1qhb n ASP 513 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1qhb h THR 514 N 1.08 1.10 0.00 5.18 1.35 -1.93 -3.36 112.91 116.33 1qhb h THR 514 Ca -0.48 -2.11 -0.33 0.00 -0.55 0.00 0.00 66.41 62.94 1qhb h THR 514 Cb 1.34 2.24 -0.06 0.00 -1.73 0.00 0.00 68.15 69.94 1qhb h THR 514 CO 0.54 0.54 -2.26 0.47 -0.25 0.00 0.00 175.52 174.56 1qhb n ASP 515 N -3.46 1.79 -4.58 5.36 8.00 -1.26 -5.05 116.55 117.35 1qhb n ASP 515 Ca 0.00 -0.09 -0.26 0.00 0.71 0.00 0.00 54.79 55.15 1qhb n ASP 515 Cb 0.65 0.02 -0.10 0.00 -0.02 0.00 0.00 41.12 41.67 1qhb n ASP 515 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1qhb s GLU 516 N -2.44 1.90 -1.30 -1.24 2.02 -1.26 -5.04 118.70 111.33 1qhb s GLU 516 Ca -0.24 -1.96 -0.15 0.00 0.02 0.00 0.00 54.97 52.64 1qhb s GLU 516 Cb 0.07 -1.72 0.11 0.00 0.10 0.00 0.00 34.13 32.69 1qhb s GLU 516 CO 0.58 0.08 1.76 -3.47 0.02 0.00 0.00 175.26 174.23 1qhb n ASP 517 N -0.87 4.85 -3.64 -0.19 2.03 -1.26 -4.14 116.55 113.32 1qhb n ASP 517 Ca -0.05 -2.95 -0.10 0.00 0.52 0.00 0.00 54.79 52.21 1qhb n ASP 517 Cb 0.64 -1.64 -0.03 0.00 -0.72 0.00 0.00 41.12 39.37 1qhb n ASP 517 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1qhb s LYS 518 N 2.69 1.35 -0.02 -0.67 -2.85 -1.26 -4.90 119.74 114.08 1qhb s LYS 518 Ca 0.47 -0.73 -0.21 0.00 -1.00 0.00 0.00 55.97 54.50 1qhb s LYS 518 Cb 0.05 0.54 -0.05 0.00 -2.06 0.00 0.00 37.83 36.31 1qhb s LYS 518 CO 0.01 -0.58 0.61 -0.51 0.10 0.00 0.00 175.35 174.98 1qhb s LEU 519 N -2.83 4.39 0.13 2.77 1.43 -1.26 -0.45 118.68 122.87 1qhb s LEU 519 Ca 0.06 1.15 0.07 0.00 -1.03 0.00 0.00 54.13 54.38 1qhb s LEU 519 Cb -0.01 -2.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 1qhb s LEU 519 CO -0.06 0.06 -0.16 0.68 0.23 0.00 0.00 176.35 177.10 1qhb s VAL 520 N 0.00 1.54 0.24 -1.59 -7.23 0.56 -4.85 120.40 109.07 1qhb s VAL 520 Ca 0.32 -1.77 -0.31 0.00 -1.81 0.00 0.00 61.98 58.41 1qhb s VAL 520 Cb -0.18 -1.64 -0.12 0.00 0.56 0.00 0.00 36.38 35.00 1qhb s VAL 520 CO 0.17 -0.35 1.69 1.17 -0.31 0.00 0.00 175.10 177.47 1qhb n LYS 521 N 0.51 2.78 -1.46 4.82 4.81 -1.26 -1.39 118.16 126.96 1qhb n LYS 521 Ca -0.15 1.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.98 1qhb n LYS 521 Cb 0.57 -2.83 0.08 0.00 0.02 0.00 0.00 35.03 32.87 1qhb n LYS 521 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1qhb s SER 522 N 0.94 4.76 0.35 3.14 0.15 -0.19 -4.77 113.70 118.07 1qhb s SER 522 Ca 0.71 1.56 0.19 0.00 0.70 0.00 0.00 55.95 59.11 1qhb s SER 522 Cb -0.50 -2.34 0.18 0.00 -1.71 0.00 0.00 66.02 61.65 1qhb s SER 522 CO 0.38 -1.83 1.50 0.77 1.20 0.00 0.00 173.24 175.26 1qhb h SER 523 N -0.99 0.00 -2.80 5.45 4.64 -1.93 -3.43 113.55 114.50 1qhb h SER 523 Ca -0.45 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.34 1qhb h SER 523 Cb 1.24 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.35 1qhb h SER 523 CO 0.56 0.27 0.91 0.12 -0.87 0.00 0.00 176.83 177.82 1qhb s PHE 524 N -3.08 2.79 0.16 4.77 5.36 -1.26 -4.91 117.98 121.81 1qhb s PHE 524 Ca 0.05 0.56 -0.11 0.00 -0.96 0.00 0.00 56.93 56.47 1qhb s PHE 524 Cb 0.06 -3.88 0.04 0.00 -0.34 0.00 0.00 43.02 38.90 1qhb s PHE 524 CO 0.71 -3.38 1.62 -1.35 -1.46 0.00 0.00 175.22 171.37 1qhb h PRO 525 N 7.57 0.96 0.00 10.12 0.11 -1.98 -3.46 132.00 145.32 1qhb h PRO 525 Ca -0.42 -0.30 0.00 0.00 0.11 0.00 0.00 66.00 65.39 1qhb h PRO 525 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1qhb h PRO 525 CO 0.91 0.96 0.00 0.41 -0.21 0.00 0.00 178.00 180.07 1qhb n GLY 526 N -0.42 -1.79 3.90 -0.55 0.00 -1.26 -4.80 105.19 100.27 1qhb n GLY 526 Ca 0.02 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 1qhb n GLY 526 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qhb s PRO 527 N 0.00 1.04 0.38 1.61 0.04 -1.26 -5.13 135.00 131.68 1qhb s PRO 527 Ca 0.00 -0.19 0.08 0.00 0.04 0.00 0.00 61.00 60.93 1qhb s PRO 527 Cb 0.00 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.61 1qhb s PRO 527 CO 0.00 -2.18 0.05 -0.51 0.04 0.00 0.00 177.00 174.40 1qhb s LEU 528 N -5.83 2.97 0.33 -3.56 1.43 -0.05 -4.92 118.68 109.05 1qhb s LEU 528 Ca 0.69 -1.12 0.08 0.00 -1.03 0.00 0.00 54.13 52.75 1qhb s LEU 528 Cb -0.07 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 1qhb s LEU 528 CO 0.52 -0.37 0.19 0.42 0.23 0.00 0.00 176.35 177.34 1qhb s THR 529 N -2.59 3.26 0.16 5.49 -4.23 -1.26 0.03 115.64 116.50 1qhb s THR 529 Ca 0.36 -1.58 -0.13 0.00 -1.18 0.00 0.00 61.69 59.16 1qhb s THR 529 Cb 0.04 -3.06 0.05 0.00 1.34 0.00 0.00 72.50 70.86 1qhb s THR 529 CO 0.20 -0.19 1.72 0.58 -0.54 0.00 0.00 174.62 176.39 1qhb h VAL 530 N 1.45 1.21 -0.25 2.29 2.07 -1.16 -2.13 116.25 119.72 1qhb h VAL 530 Ca -0.44 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 66.47 1qhb h VAL 530 Cb 1.25 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1qhb h VAL 530 CO 0.61 0.24 0.07 0.00 0.02 0.00 0.00 177.57 178.52 1qhb h ALA 531 N 1.07 0.27 -0.80 1.67 0.00 -0.72 0.09 119.26 120.83 1qhb h ALA 531 Ca 0.18 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1qhb h ALA 531 Cb 0.17 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1qhb h ALA 531 CO -0.02 -0.35 0.44 0.78 0.00 0.00 0.00 179.25 180.10 1qhb h GLY 532 N 0.17 1.20 2.00 0.00 0.00 -1.76 -0.18 103.07 104.50 1qhb h GLY 532 Ca 0.11 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 46.79 1qhb h GLY 532 CO -0.13 0.52 -0.49 0.83 0.00 0.00 0.00 176.54 177.27 1qhb h GLU 533 N 1.11 0.00 -0.08 4.80 4.39 -1.07 -0.23 114.58 123.51 1qhb h GLU 533 Ca 0.28 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.82 1qhb h GLU 533 Cb 0.03 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1qhb h GLU 533 CO -0.05 0.49 -0.60 -0.07 -1.16 0.00 0.00 179.01 177.63 1qhb h LEU 534 N 0.00 0.67 -0.78 1.33 3.38 -0.79 -2.16 115.31 116.95 1qhb h LEU 534 Ca -0.00 -0.67 -0.07 0.00 0.09 0.00 0.00 57.88 57.22 1qhb h LEU 534 Cb 1.19 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1qhb h LEU 534 CO 0.06 1.23 0.10 0.78 0.09 0.00 0.00 178.44 180.71 1qhb h ASN 535 N 0.15 0.98 -0.98 -0.43 2.35 -0.95 -1.30 115.58 115.40 1qhb h ASN 535 Ca -0.05 -0.22 0.04 0.00 -0.55 0.00 0.00 56.30 55.51 1qhb h ASN 535 Cb 1.25 -0.26 -0.06 0.00 0.05 0.00 0.00 38.32 39.31 1qhb h ASN 535 CO 0.12 0.97 0.65 0.50 -1.65 0.00 0.00 177.43 178.02 1qhb h LYS 536 N 0.96 1.20 -0.35 0.81 3.64 -1.05 -1.47 116.57 120.31 1qhb h LYS 536 Ca 0.19 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1qhb h LYS 536 Cb 0.41 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1qhb h LYS 536 CO 0.01 0.80 0.04 1.25 -2.27 0.00 0.00 179.45 179.28 1qhb h LEU 537 N 1.24 0.57 -0.04 5.20 5.85 -1.05 0.48 115.31 127.56 1qhb h LEU 537 Ca 0.39 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.86 1qhb h LEU 537 Cb 0.01 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1qhb h LEU 537 CO -0.12 0.70 -0.06 0.00 -0.34 0.00 0.00 178.44 178.61 1qhb h ALA 538 N 0.89 -0.03 -0.48 1.25 0.00 -0.86 -0.73 119.26 119.30 1qhb h ALA 538 Ca 0.10 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1qhb h ALA 538 Cb 0.38 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1qhb h ALA 538 CO 0.01 -0.54 0.16 -0.44 0.00 0.00 0.00 179.25 178.44 1qhb h ASP 539 N -0.09 0.64 0.29 0.00 3.32 -1.01 -1.04 116.42 118.52 1qhb h ASP 539 Ca 0.04 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1qhb h ASP 539 Cb 0.15 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1qhb h ASP 539 CO -0.10 0.61 -0.15 0.78 -1.72 0.00 0.00 179.24 178.66 1qhb h ASN 540 N 0.69 -0.37 -0.32 6.45 -0.26 0.63 0.67 115.58 123.07 1qhb h ASN 540 Ca 0.16 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.92 1qhb h ASN 540 Cb 0.19 0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.54 1qhb h ASN 540 CO -0.01 -0.25 0.18 0.58 -1.06 0.00 0.00 177.43 176.87 1qhb h VAL 541 N -0.41 1.12 0.02 2.81 2.07 -1.01 0.92 116.25 121.77 1qhb h VAL 541 Ca -0.04 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1qhb h VAL 541 Cb 0.32 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1qhb h VAL 541 CO 0.05 0.12 -0.01 0.00 0.02 0.00 0.00 177.57 177.75 1qhb h ALA 542 N 1.06 -0.03 0.00 1.67 0.00 -1.10 -2.91 119.26 117.95 1qhb h ALA 542 Ca 0.11 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1qhb h ALA 542 Cb 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1qhb h ALA 542 CO -0.02 -0.45 -0.22 0.82 0.00 0.00 0.00 179.25 179.38 1qhb h ILE 543 N -0.17 1.05 -0.89 0.00 1.08 -0.88 -2.38 117.51 115.33 1qhb h ILE 543 Ca -0.00 -0.78 0.22 0.00 -0.39 0.00 0.00 64.86 63.90 1qhb h ILE 543 Cb 0.16 1.43 -0.13 0.00 -3.07 0.00 0.00 36.82 35.22 1qhb h ILE 543 CO 0.00 0.22 0.36 1.23 -0.69 0.00 0.00 178.15 179.27 1qhb h GLY 544 N 0.77 1.49 1.05 5.37 0.00 -0.60 -0.05 103.07 111.11 1qhb h GLY 544 Ca -0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 1qhb h GLY 544 CO 0.03 -0.28 0.12 3.21 0.00 0.00 0.00 176.54 179.62 1qhb h ARG 545 N 0.36 1.06 -0.55 4.80 2.47 -1.44 -2.26 114.38 118.84 1qhb h ARG 545 Ca 0.55 -0.28 -0.01 0.00 -1.26 0.00 0.00 59.98 58.99 1qhb h ARG 545 Cb 1.06 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 29.23 1qhb h ARG 545 CO -0.55 0.97 0.30 -0.91 0.56 0.00 0.00 179.97 180.35 1qhb h ASN 546 N 0.98 0.68 -0.08 7.04 4.21 -1.33 -1.70 115.58 125.38 1qhb h ASN 546 Ca 0.20 -0.09 0.02 0.00 1.21 0.00 0.00 56.30 57.64 1qhb h ASN 546 Cb 0.41 -0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 37.44 1qhb h ASN 546 CO 0.01 0.58 0.06 0.24 -1.29 0.00 0.00 177.43 177.03 1qhb h MET 547 N 0.73 0.00 -0.00 0.81 2.86 -0.71 0.18 114.93 118.80 1qhb h MET 547 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1qhb h MET 547 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1qhb h MET 547 CO -0.03 0.00 -0.14 0.00 1.06 0.00 0.00 176.91 177.80 1qhb n ALA 548 N -2.48 2.68 -0.38 6.32 0.00 -0.84 -4.68 120.51 121.12 1qhb n ALA 548 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1qhb n ALA 548 Cb 0.17 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1qhb n ALA 548 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qhb n GLY 549 N 1.49 0.80 0.35 0.00 0.00 0.62 -2.10 105.19 106.35 1qhb n GLY 549 Ca 0.07 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.02 1qhb n GLY 549 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1qhb n VAL 550 N -2.38 0.00 -4.12 1.61 0.24 -0.70 -4.19 118.33 108.79 1qhb n VAL 550 Ca 0.00 -0.40 -0.10 0.00 -2.04 0.00 0.00 64.34 61.80 1qhb n VAL 550 Cb 0.00 1.18 -0.09 0.00 -1.47 0.00 0.00 33.84 33.46 1qhb n VAL 550 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1qhb s HIS 551 N -1.51 0.85 0.29 6.34 4.02 -1.24 -4.58 115.29 119.45 1qhb s HIS 551 Ca 0.12 -1.16 0.09 0.00 1.02 0.00 0.00 55.06 55.13 1qhb s HIS 551 Cb 0.11 -0.37 -0.04 0.00 -1.02 0.00 0.00 32.58 31.25 1qhb s HIS 551 CO 0.29 -0.64 0.08 0.71 1.02 0.00 0.00 174.74 176.20 1qhb s TYR 552 N -4.07 2.79 0.22 1.40 1.51 -1.26 -4.35 117.35 113.58 1qhb s TYR 552 Ca 0.28 -0.25 -0.12 0.00 -1.01 0.00 0.00 57.07 55.98 1qhb s TYR 552 Cb 0.06 -1.38 0.29 0.00 -0.11 0.00 0.00 41.96 40.82 1qhb s TYR 552 CO 0.06 0.51 1.63 0.35 -1.11 0.00 0.00 175.55 176.99 1qhb h PHE 553 N 1.69 -0.23 -0.40 2.71 3.57 -1.99 -2.48 116.94 119.81 1qhb h PHE 553 Ca -0.45 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.07 1qhb h PHE 553 Cb 1.25 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 40.17 1qhb h PHE 553 CO 0.64 -0.25 0.10 0.66 -2.23 0.00 0.00 178.31 177.22 1qhb h SER 554 N 0.04 0.54 -0.78 0.41 4.64 -1.97 -1.65 113.55 114.77 1qhb h SER 554 Ca 0.33 -0.08 0.03 0.00 -0.47 0.00 0.00 61.79 61.60 1qhb h SER 554 Cb 0.52 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 62.43 1qhb h SER 554 CO -0.63 0.55 0.50 0.44 -0.87 0.00 0.00 176.83 176.82 1qhb h ASP 555 N 0.58 0.84 0.06 4.97 3.32 -1.77 -1.94 116.42 122.48 1qhb h ASP 555 Ca 0.13 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1qhb h ASP 555 Cb 0.22 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1qhb h ASP 555 CO -0.00 0.59 -0.03 1.56 -1.72 0.00 0.00 179.24 179.64 1qhb h GLN 556 N 0.99 -0.08 -0.21 3.56 1.08 -1.26 -2.75 115.11 116.45 1qhb h GLN 556 Ca 0.31 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.50 1qhb h GLN 556 Cb -0.02 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1qhb h GLN 556 CO -0.10 0.45 0.06 0.35 -0.95 0.00 0.00 178.83 178.65 1qhb h PHE 557 N -0.66 0.34 -0.78 2.96 3.57 -1.37 -0.63 116.94 120.37 1qhb h PHE 557 Ca -0.01 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1qhb h PHE 557 Cb 0.56 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 1qhb h PHE 557 CO 0.11 0.42 0.50 0.93 -2.23 0.00 0.00 178.31 178.04 1qhb h GLU 558 N 0.16 1.04 -0.32 1.11 4.39 -1.48 -2.44 114.58 117.05 1qhb h GLU 558 Ca 0.07 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 1qhb h GLU 558 Cb 0.24 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1qhb h GLU 558 CO -0.00 0.71 -0.20 0.77 -1.16 0.00 0.00 179.01 179.13 1qhb h SER 559 N 1.07 0.59 -0.80 1.42 0.02 -1.15 -2.58 113.55 112.11 1qhb h SER 559 Ca 0.28 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1qhb h SER 559 Cb -0.09 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.26 1qhb h SER 559 CO -0.06 0.79 0.37 -0.07 -1.14 0.00 0.00 176.83 176.72 1qhb h LEU 560 N 0.53 1.07 -0.80 5.07 3.38 -0.65 -0.88 115.31 123.03 1qhb h LEU 560 Ca 0.08 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1qhb h LEU 560 Cb 0.64 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1qhb h LEU 560 CO 0.05 0.92 -0.15 -0.07 0.09 0.00 0.00 178.44 179.27 1qhb h LEU 561 N 1.16 0.73 -0.35 1.67 3.38 -1.31 -2.40 115.31 118.19 1qhb h LEU 561 Ca 0.28 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1qhb h LEU 561 Cb 0.15 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1qhb h LEU 561 CO -0.03 0.89 0.09 0.25 0.09 0.00 0.00 178.44 179.73 1qhb h LEU 562 N 0.66 0.53 -1.28 1.67 5.85 -1.12 -2.89 115.31 118.72 1qhb h LEU 562 Ca 0.11 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 1qhb h LEU 562 Cb 0.63 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1qhb h LEU 562 CO 0.04 0.62 0.15 1.23 -0.34 0.00 0.00 178.44 180.14 1qhb h GLY 563 N 0.41 0.69 0.91 3.75 0.00 -0.91 -2.52 103.07 105.40 1qhb h GLY 563 Ca 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1qhb h GLY 563 CO 0.00 0.33 -0.08 -2.09 0.00 0.00 0.00 176.54 174.70 1qhb h GLU 564 N 0.64 -0.18 -0.63 4.80 4.81 -1.31 -1.66 114.58 121.04 1qhb h GLU 564 Ca 0.15 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1qhb h GLU 564 Cb 0.17 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1qhb h GLU 564 CO -0.01 -0.12 0.40 1.96 -0.73 0.00 0.00 179.01 180.51 1qhb h GLN 565 N -0.19 0.78 -0.22 1.92 4.20 -1.30 -0.62 115.11 119.67 1qhb h GLN 565 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1qhb h GLN 565 Cb 0.18 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1qhb h GLN 565 CO -0.02 0.52 0.15 0.82 -0.67 0.00 0.00 178.83 179.62 1qhb h ILE 566 N 0.80 1.06 -0.57 2.54 1.08 -1.17 -1.00 117.51 120.26 1qhb h ILE 566 Ca 0.24 -0.10 -0.02 0.00 -0.39 0.00 0.00 64.86 64.59 1qhb h ILE 566 Cb -0.03 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 34.43 1qhb h ILE 566 CO -0.08 0.05 0.28 0.00 -0.69 0.00 0.00 178.15 177.71 1qhb h ALA 567 N 1.08 0.74 -0.47 1.87 0.00 -0.95 -1.36 119.26 120.16 1qhb h ALA 567 Ca 0.08 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1qhb h ALA 567 Cb -0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1qhb h ALA 567 CO -0.02 0.30 0.27 0.82 0.00 0.00 0.00 179.25 180.61 1qhb h ILE 568 N 0.77 1.02 -0.97 0.00 2.04 -1.09 -1.45 117.51 117.83 1qhb h ILE 568 Ca 0.20 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.88 1qhb h ILE 568 Cb 0.11 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.59 1qhb h ILE 568 CO -0.03 0.10 0.63 1.23 0.00 0.00 0.00 178.15 180.08 1qhb h GLY 569 N 0.53 1.38 0.94 5.37 0.00 -0.56 -1.39 103.07 109.33 1qhb h GLY 569 Ca 0.19 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 1qhb h GLY 569 CO -0.11 0.52 0.13 -2.22 0.00 0.00 0.00 176.54 174.86 1qhb h ILE 570 N 1.33 1.21 -0.54 2.60 2.04 -0.86 -2.16 117.51 121.12 1qhb h ILE 570 Ca 0.36 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 65.58 1qhb h ILE 570 Cb -0.13 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1qhb h ILE 570 CO -0.07 0.24 0.30 -0.07 0.00 0.00 0.00 178.15 178.54 1qhb h LEU 571 N 0.49 0.46 -0.46 1.44 3.38 -0.95 0.32 115.31 119.99 1qhb h LEU 571 Ca 0.13 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1qhb h LEU 571 Cb 0.24 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1qhb h LEU 571 CO -0.01 0.31 0.13 -0.33 0.09 0.00 0.00 178.44 178.64 1qhb h GLU 572 N 0.58 0.72 -0.56 1.13 5.08 -1.07 -1.40 114.58 119.07 1qhb h GLU 572 Ca 0.23 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1qhb h GLU 572 Cb 0.09 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1qhb h GLU 572 CO -0.13 0.70 0.19 0.93 -1.00 0.00 0.00 179.01 179.69 1qhb h GLU 573 N 0.61 0.86 0.00 2.33 5.08 -1.15 -3.10 114.58 119.21 1qhb h GLU 573 Ca 0.15 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1qhb h GLU 573 Cb 0.28 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1qhb h GLU 573 CO -0.00 0.77 0.00 1.96 -1.00 0.00 0.00 179.01 180.74 1qhb h GLN 574 N 0.78 0.00 0.00 2.33 4.20 -0.52 -2.97 115.11 118.93 1qhb h GLN 574 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1qhb h GLN 574 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1qhb h GLN 574 CO -0.01 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.81 1qhb h SER 575 N 0.00 0.00 1.13 1.46 4.64 -1.18 -1.85 113.55 117.75 1qhb h SER 575 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qhb h SER 575 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1qhb h SER 575 CO 0.00 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.89 1qhb h LEU 576 N 0.00 0.00 -0.29 5.97 3.38 -1.68 -3.32 115.31 119.37 1qhb h LEU 576 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qhb h LEU 576 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1qhb h LEU 576 CO 0.00 0.00 -0.28 0.35 0.09 0.00 0.00 178.44 178.60 1qhb n THR 577 N -2.48 0.00 -4.16 0.22 -2.24 -0.69 -4.92 114.28 100.01 1qhb n THR 577 Ca 0.03 -0.08 -0.34 0.00 -2.27 0.00 0.00 64.05 61.40 1qhb n THR 577 Cb 0.33 0.22 -0.08 0.00 -2.10 0.00 0.00 70.33 68.70 1qhb n THR 577 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1qhb s TYR 578 N -2.65 3.27 -0.35 4.78 2.02 -1.25 -5.01 117.35 118.16 1qhb s TYR 578 Ca 0.21 0.23 0.23 0.00 -0.37 0.00 0.00 57.07 57.37 1qhb s TYR 578 Cb 0.19 -1.77 0.02 0.00 -0.40 0.00 0.00 41.96 40.00 1qhb s TYR 578 CO 0.56 0.55 1.01 0.41 -1.57 0.00 0.00 175.55 176.50 1qhb n GLY 579 N 1.52 -1.35 3.77 0.71 0.00 -1.26 -4.97 105.19 103.61 1qhb n GLY 579 Ca -0.15 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 1qhb n GLY 579 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qhb s GLU 580 N -3.32 2.37 -0.45 1.61 8.01 -1.26 -4.99 118.70 120.67 1qhb s GLU 580 Ca 0.00 1.19 -0.17 0.00 0.01 0.00 0.00 54.97 56.00 1qhb s GLU 580 Cb 0.12 -1.91 0.04 0.00 -4.31 0.00 0.00 34.13 28.07 1qhb s GLU 580 CO 0.80 -1.56 0.45 1.21 0.01 0.00 0.00 175.26 176.17 1qhb s ASN 581 N -3.31 6.18 0.15 -0.19 2.47 -1.26 -4.99 114.94 114.00 1qhb s ASN 581 Ca 0.62 -0.91 -0.23 0.00 0.42 0.00 0.00 52.86 52.75 1qhb s ASN 581 Cb -0.17 -2.22 0.08 0.00 -1.45 0.00 0.00 41.25 37.48 1qhb s ASN 581 CO 0.54 -0.65 1.08 0.72 -3.72 0.00 0.00 177.10 175.07 1qhb s PHE 582 N 2.07 0.06 0.07 0.43 -0.71 -1.26 -4.71 117.98 113.94 1qhb s PHE 582 Ca 0.10 -0.41 -0.26 0.00 -1.04 0.00 0.00 56.93 55.32 1qhb s PHE 582 Cb -0.20 0.68 0.07 0.00 -1.21 0.00 0.00 43.02 42.36 1qhb s PHE 582 CO 0.11 -0.81 0.64 -0.59 -1.34 0.00 0.00 175.22 173.23 1qhb s PHE 583 N -2.15 -0.58 0.03 3.49 -0.12 -1.21 -5.00 117.98 112.43 1qhb s PHE 583 Ca 0.23 0.64 -0.23 0.00 -0.05 0.00 0.00 56.93 57.52 1qhb s PHE 583 Cb -0.02 0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 42.81 1qhb s PHE 583 CO 0.04 -0.75 0.69 -0.06 -0.05 0.00 0.00 175.22 175.09 1qhb s PHE 584 N -2.74 3.72 -0.37 3.49 0.08 -1.26 -4.12 117.98 116.78 1qhb s PHE 584 Ca -0.04 1.36 -0.15 0.00 0.12 0.00 0.00 56.93 58.22 1qhb s PHE 584 Cb -0.01 -2.72 -0.00 0.00 -0.57 0.00 0.00 43.02 39.72 1qhb s PHE 584 CO -0.04 0.32 0.34 1.21 -0.10 0.00 0.00 175.22 176.95 1qhb s ASN 585 N -0.16 6.15 -0.23 1.36 2.47 -1.26 -0.77 114.94 122.49 1qhb s ASN 585 Ca 0.35 -0.45 0.01 0.00 0.42 0.00 0.00 52.86 53.19 1qhb s ASN 585 Cb -0.20 -2.18 0.04 0.00 -1.45 0.00 0.00 41.25 37.46 1qhb s ASN 585 CO 0.20 -0.38 -0.12 -0.22 -3.72 0.00 0.00 177.10 172.87 1qhb s LEU 586 N 1.93 2.97 -0.30 3.21 2.96 -0.06 -4.40 118.68 124.99 1qhb s LEU 586 Ca 0.10 -1.00 -0.29 0.00 -0.22 0.00 0.00 54.13 52.72 1qhb s LEU 586 Cb -0.17 -1.57 -0.00 0.00 0.50 0.00 0.00 46.19 44.95 1qhb s LEU 586 CO 0.12 -0.11 1.35 -2.16 -1.32 0.00 0.00 176.35 174.22 1qhb s PRO 587 N 1.23 3.86 0.93 0.98 0.04 -1.26 -1.65 135.00 139.14 1qhb s PRO 587 Ca -0.02 1.26 -0.15 0.00 0.04 0.00 0.00 61.00 62.14 1qhb s PRO 587 Cb -0.17 -3.91 0.16 0.00 0.04 0.00 0.00 34.50 30.62 1qhb s PRO 587 CO -0.07 -1.19 1.24 0.15 0.04 0.00 0.00 177.00 177.17 1qhb s LYS 588 N 4.31 0.98 0.43 4.56 1.02 0.17 -4.97 119.74 126.23 1qhb s LYS 588 Ca 0.58 -0.15 0.21 0.00 0.02 0.00 0.00 55.97 56.63 1qhb s LYS 588 Cb -0.17 -1.86 0.97 0.00 -0.52 0.00 0.00 37.83 36.25 1qhb s LYS 588 CO 0.25 -2.23 1.88 0.74 -0.92 0.00 0.00 175.35 175.07 1qhb h PHE 589 N -1.51 0.00 -0.02 3.18 0.04 -1.95 -2.83 116.94 113.85 1qhb h PHE 589 Ca -0.46 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.31 1qhb h PHE 589 Cb 1.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.43 1qhb h PHE 589 CO -0.61 0.27 0.00 -0.40 -0.60 0.00 0.00 178.31 176.97 1qhb n ASP 590 N -3.69 0.20 0.00 2.17 5.68 -1.26 -4.55 116.55 115.10 1qhb n ASP 590 Ca -0.01 -1.51 0.00 0.00 -0.50 0.00 0.00 54.79 52.77 1qhb n ASP 590 Cb 0.38 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 1qhb n ASP 590 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qhb n GLY 591 N 0.81 0.57 3.99 6.12 0.00 -1.07 -5.05 105.19 110.56 1qhb n GLY 591 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 1qhb n GLY 591 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qhb s THR 592 N -2.17 2.82 -0.02 2.61 -4.23 -1.26 -4.84 115.64 108.56 1qhb s THR 592 Ca 0.00 -1.07 0.05 0.00 -1.18 0.00 0.00 61.69 59.49 1qhb s THR 592 Cb 0.00 -2.89 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 1qhb s THR 592 CO 0.00 0.00 -0.17 -0.89 -0.54 0.00 0.00 174.62 173.02 1qhb s THR 593 N -2.41 2.81 -0.03 3.99 2.01 -1.26 0.42 115.64 121.16 1qhb s THR 593 Ca 0.54 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 61.70 1qhb s THR 593 Cb -0.08 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 1qhb s THR 593 CO 0.33 0.53 -0.22 -0.51 -0.69 0.00 0.00 174.62 174.06 1qhb s ILE 594 N -0.75 2.40 -0.26 1.82 2.07 -0.66 -4.95 121.20 120.87 1qhb s ILE 594 Ca 0.12 -0.97 -0.07 0.00 -1.41 0.00 0.00 60.65 58.32 1qhb s ILE 594 Cb -0.10 -1.88 -0.02 0.00 0.13 0.00 0.00 42.46 40.59 1qhb s ILE 594 CO 0.01 0.58 0.07 -1.10 -1.91 0.00 0.00 174.94 172.60 1qhb s GLN 595 N -0.62 3.47 0.00 3.50 -0.21 -1.26 -0.88 119.66 123.66 1qhb s GLN 595 Ca 0.10 -0.60 0.03 0.00 0.02 0.00 0.00 55.36 54.90 1qhb s GLN 595 Cb -0.10 -3.34 0.02 0.00 1.00 0.00 0.00 33.01 30.59 1qhb s GLN 595 CO -0.00 -0.27 0.59 -0.89 -2.12 0.00 0.00 175.29 172.60