#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 0.39 -0.61 1.01 -1.26 -5.01 121.20 120.63 1qhb s ILE 3 Ca 0.00 1.80 -0.27 0.00 0.00 0.00 0.00 60.65 62.18 1qhb s ILE 3 Cb 0.00 -4.20 -0.11 0.00 0.01 0.00 0.00 42.46 38.16 1qhb s ILE 3 CO 0.00 0.14 1.35 -2.65 0.00 0.00 0.00 174.94 173.79 1qhb n PRO 4 N 4.23 2.23 -3.98 2.79 -0.02 -1.26 -4.97 135.00 134.03 1qhb n PRO 4 Ca 0.04 0.79 -0.13 0.00 -2.02 0.00 0.00 63.50 62.17 1qhb n PRO 4 Cb 0.50 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 1qhb n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qhb n ALA 5 N 0.14 -0.84 -2.41 3.55 0.00 -1.26 -5.17 120.51 114.52 1qhb n ALA 5 Ca 0.04 -1.55 -0.21 0.00 0.00 0.00 0.00 53.44 51.73 1qhb n ALA 5 Cb 0.38 1.24 -0.10 0.00 0.00 0.00 0.00 19.45 20.97 1qhb n ALA 5 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qhb s ASP 6 N -3.20 3.03 0.22 0.00 -1.08 -1.26 -5.15 116.67 109.23 1qhb s ASP 6 Ca 0.25 -1.06 0.10 0.00 -0.52 0.00 0.00 52.55 51.32 1qhb s ASP 6 Cb -0.02 -0.21 -0.04 0.00 -1.46 0.00 0.00 42.92 41.18 1qhb s ASP 6 CO 0.18 -0.12 -0.11 0.54 0.52 0.00 0.00 175.17 176.18 1qhb s ASN 7 N -3.42 4.12 0.65 -0.34 4.22 -1.26 -5.13 114.94 113.78 1qhb s ASN 7 Ca 0.27 -0.70 -0.05 0.00 -2.14 0.00 0.00 52.86 50.23 1qhb s ASN 7 Cb -0.01 -0.63 0.04 0.00 1.28 0.00 0.00 41.25 41.93 1qhb s ASN 7 CO 0.11 0.07 0.95 -0.76 -2.04 0.00 0.00 177.10 175.43 1qhb s LEU 8 N -3.12 2.99 0.19 3.54 1.43 -1.26 -5.12 118.68 117.34 1qhb s LEU 8 Ca 0.27 0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 53.79 1qhb s LEU 8 Cb -0.07 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.93 1qhb s LEU 8 CO 0.16 -1.40 0.15 0.00 0.23 0.00 0.00 176.35 175.50 1qhb s GLN 9 N -5.11 1.18 0.91 1.70 -2.07 -1.26 -5.14 119.66 109.87 1qhb s GLN 9 Ca 0.58 -1.55 -0.13 0.00 -1.82 0.00 0.00 55.36 52.45 1qhb s GLN 9 Cb -0.11 0.29 0.05 0.00 -1.09 0.00 0.00 33.01 32.16 1qhb s GLN 9 CO 0.44 -0.39 0.63 -1.13 -1.32 0.00 0.00 175.29 173.51 1qhb n SER 10 N -0.25 -1.27 -0.15 12.60 3.41 -1.26 -4.79 113.62 121.91 1qhb n SER 10 Ca 0.00 0.39 -0.09 0.00 -0.26 0.00 0.00 58.87 58.92 1qhb n SER 10 Cb 0.65 -1.29 -0.00 0.00 -0.26 0.00 0.00 64.21 63.32 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 -1.46 0.64 -0.60 4.33 9.65 -2.01 -2.28 114.38 122.66 1qhb h ARG 11 Ca -0.44 -0.11 0.06 0.00 -1.10 0.00 0.00 59.98 58.40 1qhb h ARG 11 Cb 1.29 -0.11 -0.06 0.00 -1.39 0.00 0.00 29.97 29.70 1qhb h ARG 11 CO 0.37 0.58 0.29 0.00 2.80 0.00 0.00 179.97 184.01 1qhb h ALA 12 N 1.03 0.78 -0.25 2.80 0.00 -1.99 -0.00 119.26 121.63 1qhb h ALA 12 Ca 0.15 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 1qhb h ALA 12 Cb 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1qhb h ALA 12 CO -0.01 -0.07 -0.41 -0.22 0.00 0.00 0.00 179.25 178.54 1qhb h LYS 13 N 0.54 0.59 -0.52 0.00 1.63 -1.88 -1.36 116.57 115.58 1qhb h LYS 13 Ca 0.28 -0.30 -0.09 0.00 -0.85 0.00 0.00 60.65 59.68 1qhb h LYS 13 Cb 0.23 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 1qhb h LYS 13 CO -0.21 0.90 -0.05 0.00 -3.45 0.00 0.00 179.45 176.64 1qhb h ALA 14 N 1.07 0.93 -0.43 5.00 0.00 -0.99 -0.02 119.26 124.82 1qhb h ALA 14 Ca 0.04 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1qhb h ALA 14 Cb 0.92 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1qhb h ALA 14 CO 0.08 0.63 0.02 1.03 0.00 0.00 0.00 179.25 181.01 1qhb h SER 15 N 0.84 0.73 -0.14 0.00 0.87 -0.60 -1.15 113.55 114.09 1qhb h SER 15 Ca 0.15 -0.29 -0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1qhb h SER 15 Cb 0.57 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1qhb h SER 15 CO 0.03 0.84 0.09 0.15 -0.53 0.00 0.00 176.83 177.41 1qhb h PHE 16 N 0.59 0.18 -0.37 2.24 3.57 -1.03 -2.50 116.94 119.63 1qhb h PHE 16 Ca 0.13 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1qhb h PHE 16 Cb 0.46 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1qhb h PHE 16 CO 0.03 0.16 0.12 -0.44 -2.23 0.00 0.00 178.31 175.95 1qhb h ASP 17 N 0.16 0.48 -0.58 0.41 3.32 -0.98 -1.65 116.42 117.58 1qhb h ASP 17 Ca 0.05 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 1qhb h ASP 17 Cb 0.02 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1qhb h ASP 17 CO -0.01 0.47 0.17 0.74 -1.72 0.00 0.00 179.24 178.89 1qhb h THR 18 N 0.53 1.24 -0.59 0.35 2.02 -0.78 -1.10 112.91 114.59 1qhb h THR 18 Ca 0.13 -0.85 -0.09 0.00 0.77 0.00 0.00 66.41 66.37 1qhb h THR 18 Cb 0.16 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1qhb h THR 18 CO -0.01 0.32 0.01 0.03 0.37 0.00 0.00 175.52 176.24 1qhb h ARG 19 N 0.83 1.01 -0.21 6.66 3.08 -1.13 -0.50 114.38 124.12 1qhb h ARG 19 Ca 0.19 -0.30 -0.11 0.00 0.07 0.00 0.00 59.98 59.83 1qhb h ARG 19 Cb 0.31 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 1qhb h ARG 19 CO -0.00 0.98 -0.29 0.28 -1.07 0.00 0.00 179.97 179.87 1qhb h VAL 20 N 0.93 1.33 -0.86 2.04 2.07 -1.26 -2.25 116.25 118.24 1qhb h VAL 20 Ca 0.17 -1.49 0.06 0.00 0.82 0.00 0.00 66.70 66.26 1qhb h VAL 20 Cb 0.52 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 32.01 1qhb h VAL 20 CO 0.03 0.46 0.54 0.00 0.02 0.00 0.00 177.57 178.61 1qhb h ALA 21 N 0.63 1.19 -0.48 1.67 0.00 -0.87 0.11 119.26 121.51 1qhb h ALA 21 Ca 0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1qhb h ALA 21 Cb 0.86 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1qhb h ALA 21 CO 0.07 0.29 -0.01 0.00 0.00 0.00 0.00 179.25 179.60 1qhb h ALA 22 N 1.41 1.10 -0.58 0.00 0.00 -1.03 -0.20 119.26 119.96 1qhb h ALA 22 Ca 0.38 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1qhb h ALA 22 Cb 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1qhb h ALA 22 CO -0.17 0.57 0.17 0.00 0.00 0.00 0.00 179.25 179.82 1qhb h ALA 23 N 1.25 0.76 -0.69 0.00 0.00 -0.62 -1.40 119.26 118.56 1qhb h ALA 23 Ca 0.14 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1qhb h ALA 23 Cb 0.46 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1qhb h ALA 23 CO 0.02 0.44 0.22 0.93 0.00 0.00 0.00 179.25 180.86 1qhb h GLU 24 N 0.82 1.06 -0.20 0.00 5.08 -0.55 -0.49 114.58 120.31 1qhb h GLU 24 Ca 0.19 -0.22 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1qhb h GLU 24 Cb 0.30 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1qhb h GLU 24 CO -0.00 0.91 0.04 1.25 -1.00 0.00 0.00 179.01 180.20 1qhb h LEU 25 N 1.03 0.01 -0.70 1.33 6.46 -0.60 0.13 115.31 122.97 1qhb h LEU 25 Ca 0.23 0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.96 1qhb h LEU 25 Cb 0.28 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.23 1qhb h LEU 25 CO -0.01 0.03 0.22 0.00 -0.62 0.00 0.00 178.44 178.06 1qhb h ALA 26 N 1.15 0.91 -0.65 1.25 0.00 -1.00 -2.70 119.26 118.22 1qhb h ALA 26 Ca 0.09 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1qhb h ALA 26 Cb 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1qhb h ALA 26 CO -0.12 0.59 0.12 1.25 0.00 0.00 0.00 179.25 181.09 1qhb h LEU 27 N 1.02 1.02 -1.13 0.00 5.85 -0.71 -2.51 115.31 118.85 1qhb h LEU 27 Ca 0.22 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1qhb h LEU 27 Cb 0.30 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1qhb h LEU 27 CO -0.01 1.01 0.00 0.00 -0.34 0.00 0.00 178.44 179.10 1qhb h ALA 28 N 1.05 1.00 0.00 1.25 0.00 -0.66 -2.50 119.26 119.40 1qhb h ALA 28 Ca 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1qhb h ALA 28 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1qhb h ALA 28 CO 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 179.25 179.06 1qhb h ARG 29 N 0.00 0.00 0.00 0.00 3.08 -1.19 -3.49 114.38 112.78 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 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1qhb h ARG 29 CO 0.00 0.20 0.00 0.41 -1.07 0.00 0.00 179.97 179.51 1qhb n GLY 30 N -0.30 0.17 3.20 0.04 0.00 -0.94 -5.00 105.19 102.35 1qhb n GLY 30 Ca -0.01 -1.81 -0.26 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.13 1.63 0.06 4.61 0.00 -1.26 -4.95 121.76 119.72 1qhb s ALA 31 Ca 0.00 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.16 1qhb s ALA 31 Cb 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 1qhb s ALA 31 CO 0.00 0.39 -0.03 0.14 0.00 0.00 0.00 175.76 176.26 1qhb s VAL 32 N -0.41 3.89 0.64 0.00 -7.23 -0.76 -5.04 120.40 111.48 1qhb s VAL 32 Ca 0.06 -0.91 -0.15 0.00 -1.81 0.00 0.00 61.98 59.18 1qhb s VAL 32 Cb -0.08 -2.79 -0.01 0.00 0.56 0.00 0.00 36.38 34.05 1qhb s VAL 32 CO -0.00 0.22 1.07 -2.16 -0.31 0.00 0.00 175.10 173.92 1qhb s PRO 33 N -1.97 3.05 -0.16 4.82 0.04 -1.26 -4.54 135.00 134.98 1qhb s PRO 33 Ca 0.22 1.22 -0.02 0.00 0.04 0.00 0.00 61.00 62.46 1qhb s PRO 33 Cb -0.11 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 1qhb s PRO 33 CO 0.14 -1.03 -0.07 -1.12 0.04 0.00 0.00 177.00 174.96 1qhb s SER 34 N -2.90 4.37 -0.13 6.66 0.01 -1.26 -4.78 113.70 115.67 1qhb s SER 34 Ca 0.64 -0.27 -0.05 0.00 1.31 0.00 0.00 55.95 57.58 1qhb s SER 34 Cb -0.17 -1.70 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 1qhb s SER 34 CO 0.42 0.12 0.04 -0.36 0.41 0.00 0.00 173.24 173.87 1qhb s PHE 35 N 0.63 3.26 0.51 2.43 0.08 -1.26 -5.09 117.98 118.54 1qhb s PHE 35 Ca -0.04 0.18 0.03 0.00 0.12 0.00 0.00 56.93 57.21 1qhb s PHE 35 Cb -0.15 -1.92 0.02 0.00 -0.57 0.00 0.00 43.02 40.40 1qhb s PHE 35 CO 0.03 0.38 0.71 0.00 -0.10 0.00 0.00 175.22 176.23 1qhb s ALA 36 N -0.41 4.04 -1.66 5.36 0.00 -1.26 -3.42 121.76 124.41 1qhb s ALA 36 Ca 0.09 -1.39 0.26 0.00 0.00 0.00 0.00 51.96 50.92 1qhb s ALA 36 Cb -0.12 -1.97 1.42 0.00 0.00 0.00 0.00 23.12 22.45 1qhb s ALA 36 CO 0.02 -0.59 1.90 0.27 0.00 0.00 0.00 175.76 177.36 1qhb n ASN 37 N -2.19 0.00 0.00 0.00 0.23 -1.26 -4.84 115.26 107.20 1qhb n ASN 37 Ca 0.07 -0.38 0.00 0.00 -0.53 0.00 0.00 54.58 53.74 1qhb n ASN 37 Cb 0.59 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 38.12 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 0.81 1.00 0.16 4.83 0.00 -1.26 -4.94 105.19 105.79 1qhb n GLY 38 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 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 3.62 0.11 -0.84 1.61 5.08 -1.97 -3.29 114.58 118.90 1qhb h GLU 39 Ca 0.00 -0.07 0.14 0.00 -1.00 0.00 0.00 59.36 58.43 1qhb h GLU 39 Cb 0.00 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 29.12 1qhb h GLU 39 CO 0.00 0.67 -0.35 1.49 -1.00 0.00 0.00 179.01 179.82 1qhb h GLU 40 N 0.08 -0.06 -0.12 2.33 4.81 -1.92 -1.14 114.58 118.56 1qhb h GLU 40 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1qhb h GLU 40 Cb 1.06 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1qhb h GLU 40 CO 0.08 -0.04 0.00 1.28 -0.73 0.00 0.00 179.01 179.61 1qhb n LEU 41 N -5.47 2.63 0.17 1.64 4.77 -1.26 -4.46 117.00 115.01 1qhb n LEU 41 Ca 0.08 -1.20 -0.14 0.00 -0.03 0.00 0.00 56.01 54.73 1qhb n LEU 41 Cb 0.39 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.33 1qhb n LEU 41 CO -0.08 0.51 0.62 0.25 -1.33 0.00 0.00 177.39 177.37 1qhb h LEU 42 N 3.31 -0.35 -9.35 2.23 5.85 -1.27 -3.45 115.31 112.28 1qhb h LEU 42 Ca 0.00 -0.13 -0.55 0.00 0.84 0.00 0.00 57.88 58.04 1qhb h LEU 42 Cb 0.74 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1qhb h LEU 42 CO 0.00 -0.05 0.71 -0.31 -0.34 0.00 0.00 178.44 178.45 1qhb s TYR 43 N -5.10 3.14 0.20 1.25 2.02 -1.24 -4.98 117.35 112.63 1qhb s TYR 43 Ca -0.15 1.13 0.09 0.00 -0.37 0.00 0.00 57.07 57.77 1qhb s TYR 43 Cb 0.03 -3.48 -0.04 0.00 -0.40 0.00 0.00 41.96 38.07 1qhb s TYR 43 CO 0.58 -1.58 -0.07 1.03 -1.57 0.00 0.00 175.55 173.95 1qhb s ARG 44 N 2.10 2.15 -0.16 -0.62 1.81 -1.26 -0.89 118.95 122.08 1qhb s ARG 44 Ca 0.58 -1.28 -0.29 0.00 -1.72 0.00 0.00 55.73 53.02 1qhb s ARG 44 Cb -0.27 -2.19 -0.00 0.00 -0.45 0.00 0.00 34.95 32.04 1qhb s ARG 44 CO 0.24 0.42 1.04 1.21 -0.68 0.00 0.00 175.30 177.54 1qhb s ASN 45 N -3.01 7.15 0.25 0.23 3.84 0.20 -4.69 114.94 118.91 1qhb s ASN 45 Ca 0.27 1.48 -0.05 0.00 0.21 0.00 0.00 52.86 54.77 1qhb s ASN 45 Cb -0.08 -2.55 0.35 0.00 -0.55 0.00 0.00 41.25 38.42 1qhb s ASN 45 CO 0.17 -0.57 1.85 0.28 -2.79 0.00 0.00 177.10 176.03 1qhb h SER 46 N 7.33 0.85 -0.09 -4.21 0.02 -1.95 0.85 113.55 116.36 1qhb h SER 46 Ca -0.25 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.58 1qhb h SER 46 Cb 1.11 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 63.50 1qhb h SER 46 CO 0.92 0.53 -0.49 -0.33 -1.14 0.00 0.00 176.83 176.32 1qhb h GLU 47 N 0.98 0.49 0.00 3.45 5.08 -1.97 -3.36 114.58 119.25 1qhb h GLU 47 Ca 0.39 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1qhb h GLU 47 Cb 0.20 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1qhb h GLU 47 CO -0.18 1.04 -1.69 0.25 -1.00 0.00 0.00 179.01 177.43 1qhb n THR 48 N -4.25 0.24 0.00 1.13 -2.24 -1.20 -4.98 114.28 102.97 1qhb n THR 48 Ca -0.08 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1qhb n THR 48 Cb 0.60 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 1.25 2.02 3.81 3.38 0.00 0.29 -5.03 105.19 110.91 1qhb n GLY 49 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.96 4.47 0.26 1.61 1.01 -1.26 -4.62 116.67 115.17 1qhb s ASP 50 Ca 0.00 1.22 -0.30 0.00 0.71 0.00 0.00 52.55 54.18 1qhb s ASP 50 Cb 0.00 -1.93 -0.10 0.00 1.01 0.00 0.00 42.92 41.91 1qhb s ASP 50 CO 0.00 -1.98 1.29 -2.16 0.21 0.00 0.00 175.17 172.53 1qhb s PRO 51 N -5.21 4.40 0.05 8.23 0.04 -1.26 0.60 135.00 141.85 1qhb s PRO 51 Ca 0.61 2.10 0.22 0.00 0.04 0.00 0.00 61.00 63.97 1qhb s PRO 51 Cb -0.14 -3.14 -0.20 0.00 0.04 0.00 0.00 34.50 31.06 1qhb s PRO 51 CO 0.54 -0.18 0.71 -1.13 0.04 0.00 0.00 177.00 176.98 1qhb n SER 52 N 1.75 0.34 -1.95 6.66 3.41 -0.06 -4.68 113.62 119.09 1qhb n SER 52 Ca 0.03 0.08 -0.17 0.00 -0.26 0.00 0.00 58.87 58.55 1qhb n SER 52 Cb 0.42 1.38 -0.01 0.00 -0.26 0.00 0.00 64.21 65.75 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 -2.37 -0.81 0.36 7.33 3.72 -1.26 -4.34 117.46 120.09 1qhb n PHE 53 Ca -0.02 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.52 1qhb n PHE 53 Cb 0.55 -3.44 0.56 0.00 -0.94 0.00 0.00 39.48 36.21 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 0.00 -0.53 4.37 3.07 -1.90 -2.49 117.51 120.04 1qhb h ILE 54 Ca -0.41 -0.37 0.00 0.00 1.55 0.00 0.00 64.86 65.64 1qhb h ILE 54 Cb 1.30 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 39.07 1qhb h ILE 54 CO 0.48 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.19 1qhb n GLY 55 N 0.09 2.92 3.58 0.16 0.00 -1.26 -4.95 105.19 105.72 1qhb n GLY 55 Ca 0.02 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.10 4.27 -0.09 1.61 0.01 -0.94 -3.41 113.70 114.06 1qhb s SER 56 Ca 0.43 -0.66 -0.30 0.00 1.31 0.00 0.00 55.95 56.73 1qhb s SER 56 Cb 0.27 -0.71 -0.04 0.00 0.21 0.00 0.00 66.02 65.75 1qhb s SER 56 CO 0.21 0.06 1.51 0.12 0.41 0.00 0.00 173.24 175.55 1qhb s PHE 57 N -2.04 2.32 -0.05 2.43 5.36 -0.46 -4.46 117.98 121.08 1qhb s PHE 57 Ca 0.28 0.50 0.12 0.00 -0.96 0.00 0.00 56.93 56.88 1qhb s PHE 57 Cb -0.07 -3.76 0.23 0.00 -0.34 0.00 0.00 43.02 39.08 1qhb s PHE 57 CO 0.17 -3.04 1.11 0.25 -1.46 0.00 0.00 175.22 172.24 1qhb n THR 58 N 5.39 0.64 -1.85 0.12 -2.24 -1.26 -4.98 114.28 110.10 1qhb n THR 58 Ca 0.16 -1.13 -0.42 0.00 -2.27 0.00 0.00 64.05 60.39 1qhb n THR 58 Cb 0.43 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 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 -0.95 4.18 0.00 -0.78 2.20 -1.26 -2.16 119.74 120.97 1qhb s LYS 59 Ca 0.21 2.45 0.00 0.00 -0.36 0.00 0.00 55.97 58.26 1qhb s LYS 59 Cb 0.21 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 1qhb s LYS 59 CO -0.05 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 174.63 1qhb n GLY 60 N 3.96 2.32 3.78 5.54 0.00 0.12 -4.95 105.19 115.97 1qhb n GLY 60 Ca 0.16 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 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 4.21 0.19 0.99 1.43 -0.92 0.04 118.68 124.62 1qhb s LEU 61 Ca 0.00 2.01 -0.32 0.00 -1.03 0.00 0.00 54.13 54.80 1qhb s LEU 61 Cb 0.00 -4.11 -0.12 0.00 0.03 0.00 0.00 46.19 41.99 1qhb s LEU 61 CO 0.00 -0.38 1.74 -2.84 0.23 0.00 0.00 176.35 175.10 1qhb s PRO 62 N -2.33 4.13 0.30 1.29 0.02 -1.26 -4.60 135.00 132.54 1qhb s PRO 62 Ca 0.55 2.60 0.09 0.00 0.02 0.00 0.00 61.00 64.26 1qhb s PRO 62 Cb -0.22 -3.18 -0.04 0.00 0.02 0.00 0.00 34.50 31.08 1qhb s PRO 62 CO 0.28 -0.77 0.06 -1.01 -0.33 0.00 0.00 177.00 175.23 1qhb s HIS 63 N 1.48 2.72 0.44 6.54 3.76 -1.26 -2.10 115.29 126.87 1qhb s HIS 63 Ca 0.76 -0.29 -0.01 0.00 -0.15 0.00 0.00 55.06 55.37 1qhb s HIS 63 Cb -0.49 -1.39 0.09 0.00 1.11 0.00 0.00 32.58 31.90 1qhb s HIS 63 CO 0.33 0.50 0.60 -0.40 -0.85 0.00 0.00 174.74 174.92 1qhb n ASP 64 N -1.01 0.75 0.06 1.40 5.68 0.86 -4.77 116.55 119.51 1qhb n ASP 64 Ca -0.05 -1.64 0.09 0.00 -0.50 0.00 0.00 54.79 52.68 1qhb n ASP 64 Cb 0.60 -0.40 0.38 0.00 -1.14 0.00 0.00 41.12 40.57 1qhb n ASP 64 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1qhb n ASP 65 N -2.98 0.31 -0.99 -1.12 8.00 -1.26 -1.63 116.55 116.88 1qhb n ASP 65 Ca 0.10 0.58 0.12 0.00 0.71 0.00 0.00 54.79 56.30 1qhb n ASP 65 Cb 0.35 -0.64 0.13 0.00 -0.02 0.00 0.00 41.12 40.93 1qhb n ASP 65 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1qhb n ASN 66 N -1.85 3.06 0.00 -2.24 5.03 -1.26 -4.96 115.26 113.04 1qhb n ASN 66 Ca 0.02 -1.99 0.00 0.00 0.87 0.00 0.00 54.58 53.49 1qhb n ASN 66 Cb 0.18 -0.05 0.00 0.00 -1.02 0.00 0.00 39.78 38.89 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 1.38 0.69 3.92 7.41 0.00 -0.64 -4.87 105.19 113.07 1qhb n GLY 67 Ca 0.15 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 3.91 0.67 4.61 0.00 -1.26 -4.76 121.76 122.93 1qhb s ALA 68 Ca 0.00 -0.76 -0.15 0.00 0.00 0.00 0.00 51.96 51.05 1qhb s ALA 68 Cb 0.00 -1.95 0.01 0.00 0.00 0.00 0.00 23.12 21.18 1qhb s ALA 68 CO 0.00 0.70 1.15 0.96 0.00 0.00 0.00 175.76 178.57 1qhb s ILE 69 N -1.63 2.90 0.03 0.00 -4.36 -1.26 -0.10 121.20 116.78 1qhb s ILE 69 Ca 0.37 0.44 -0.14 0.00 -0.26 0.00 0.00 60.65 61.07 1qhb s ILE 69 Cb -0.12 -2.99 -0.34 0.00 1.25 0.00 0.00 42.46 40.26 1qhb s ILE 69 CO 0.27 -0.24 0.98 0.40 0.24 0.00 0.00 174.94 176.59 1qhb h ILE 70 N 0.04 1.27 -3.22 8.37 2.04 -1.72 -3.44 117.51 120.85 1qhb h ILE 70 Ca -0.47 -2.73 -0.54 0.00 1.00 0.00 0.00 64.86 62.11 1qhb h ILE 70 Cb 1.27 3.00 -0.37 0.00 -0.74 0.00 0.00 36.82 39.97 1qhb h ILE 70 CO 0.53 0.83 -0.80 -0.62 0.00 0.00 0.00 178.15 178.08 1qhb s ASP 71 N -7.49 2.40 0.37 1.72 -1.08 -1.26 -5.01 116.67 106.31 1qhb s ASP 71 Ca -0.09 -0.42 0.05 0.00 -0.52 0.00 0.00 52.55 51.57 1qhb s ASP 71 Cb 0.05 -0.88 0.73 0.00 -1.46 0.00 0.00 42.92 41.36 1qhb s ASP 71 CO 0.93 -0.13 2.00 1.55 0.52 0.00 0.00 175.17 180.03 1qhb h PRO 72 N 8.15 0.73 -0.46 4.34 0.13 -1.87 0.11 132.00 143.13 1qhb h PRO 72 Ca -0.29 -0.04 0.11 0.00 -0.87 0.00 0.00 66.00 64.91 1qhb h PRO 72 Cb 1.13 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.07 1qhb h PRO 72 CO 0.41 0.48 0.32 -0.44 -0.23 0.00 0.00 178.00 178.54 1qhb h ASP 73 N 0.75 0.09 -0.59 1.44 5.19 -1.96 0.54 116.42 121.88 1qhb h ASP 73 Ca 0.25 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.61 1qhb h ASP 73 Cb 0.07 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.54 1qhb h ASP 73 CO -0.07 0.06 0.16 0.44 -3.12 0.00 0.00 179.24 176.70 1qhb h ASP 74 N 0.10 0.92 -0.16 6.45 3.32 -1.21 -0.63 116.42 125.22 1qhb h ASP 74 Ca 0.22 -0.18 -0.17 0.00 0.02 0.00 0.00 57.03 56.92 1qhb h ASP 74 Cb 0.72 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 40.04 1qhb h ASP 74 CO -0.02 0.88 -0.56 0.15 -1.72 0.00 0.00 179.24 177.97 1qhb h PHE 75 N 0.93 0.87 -0.27 4.55 3.57 -1.00 -2.58 116.94 123.01 1qhb h PHE 75 Ca 0.20 -0.36 -0.04 0.00 3.53 0.00 0.00 57.97 61.30 1qhb h PHE 75 Cb 0.32 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 1qhb h PHE 75 CO 0.02 1.16 -0.03 -0.07 -2.23 0.00 0.00 178.31 177.16 1qhb h LEU 76 N 0.33 0.38 -0.29 0.59 3.38 -1.31 -0.74 115.31 117.65 1qhb h LEU 76 Ca -0.03 -0.07 -0.20 0.00 0.09 0.00 0.00 57.88 57.68 1qhb h LEU 76 Cb 1.19 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1qhb h LEU 76 CO 0.12 0.47 -0.74 0.00 0.09 0.00 0.00 178.44 178.38 1qhb h ALA 77 N 1.59 0.46 -0.64 1.53 0.00 -1.13 -2.69 119.26 118.39 1qhb h ALA 77 Ca 0.09 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1qhb h ALA 77 Cb 0.31 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1qhb h ALA 77 CO 0.01 0.72 0.39 0.35 0.00 0.00 0.00 179.25 180.71 1qhb h PHE 78 N 0.43 0.84 -0.56 0.00 3.57 -0.93 -0.46 116.94 119.82 1qhb h PHE 78 Ca -0.04 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1qhb h PHE 78 Cb 1.34 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.78 1qhb h PHE 78 CO 0.07 0.57 0.28 0.28 -2.23 0.00 0.00 178.31 177.27 1qhb h VAL 79 N 0.86 1.20 -0.52 1.41 2.07 -1.08 -1.40 116.25 118.79 1qhb h VAL 79 Ca 0.23 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1qhb h VAL 79 Cb -0.03 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1qhb h VAL 79 CO -0.04 0.22 0.29 0.03 0.02 0.00 0.00 177.57 178.09 1qhb h ARG 80 N 0.75 0.73 -0.93 1.57 3.08 -1.12 -2.17 114.38 116.29 1qhb h ARG 80 Ca 0.19 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.19 1qhb h ARG 80 Cb 0.10 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 1qhb h ARG 80 CO -0.03 0.56 0.61 0.00 -1.07 0.00 0.00 179.97 180.04 1qhb h ALA 81 N 1.13 1.39 -0.52 0.04 0.00 -0.78 -1.85 119.26 118.67 1qhb h ALA 81 Ca 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1qhb h ALA 81 Cb 0.04 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1qhb h ALA 81 CO -0.03 0.52 0.27 0.82 0.00 0.00 0.00 179.25 180.83 1qhb h ILE 82 N 1.18 1.19 0.00 0.00 2.04 -0.67 -1.32 117.51 119.94 1qhb h ILE 82 Ca 0.36 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1qhb h ILE 82 Cb -0.02 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1qhb h ILE 82 CO -0.10 0.20 0.00 0.78 0.00 0.00 0.00 178.15 179.03 1qhb h ASN 83 N 0.69 0.00 0.00 1.72 2.35 -1.09 -3.35 115.58 115.90 1qhb h ASN 83 Ca 0.18 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.55 1qhb h ASN 83 Cb 0.08 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.38 1qhb h ASN 83 CO -0.03 0.00 -2.44 -1.54 -1.65 0.00 0.00 177.43 171.77 1qhb n SER 84 N -2.65 1.74 0.00 5.81 3.41 -0.72 -4.98 113.62 116.22 1qhb n SER 84 Ca 0.04 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1qhb n SER 84 Cb 0.44 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 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 2.21 1.19 3.68 5.00 0.00 -0.51 -4.97 105.19 111.80 1qhb n GLY 85 Ca -0.43 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.12 6.63 0.23 1.61 2.15 -1.26 -4.90 116.67 118.01 1qhb s ASP 86 Ca 0.00 2.42 -0.07 0.00 0.43 0.00 0.00 52.55 55.34 1qhb s ASP 86 Cb 0.00 -2.56 0.21 0.00 -0.30 0.00 0.00 42.92 40.28 1qhb s ASP 86 CO 0.00 -0.88 1.85 -0.33 -0.17 0.00 0.00 175.17 175.63 1qhb h GLU 87 N 8.56 1.25 -0.32 4.34 3.07 -1.95 -1.38 114.58 128.14 1qhb h GLU 87 Ca -0.42 -0.16 -0.11 0.00 -0.50 0.00 0.00 59.36 58.17 1qhb h GLU 87 Cb 1.20 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.85 1qhb h GLU 87 CO 0.93 0.92 -0.26 0.87 -1.40 0.00 0.00 179.01 180.08 1qhb h LYS 88 N 1.25 0.64 -0.41 2.33 1.57 -1.98 -1.70 116.57 118.27 1qhb h LYS 88 Ca 0.31 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 1qhb h LYS 88 Cb 0.05 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1qhb h LYS 88 CO -0.05 0.84 -0.23 1.49 -0.57 0.00 0.00 179.45 180.93 1qhb h GLU 89 N 0.56 0.83 -0.08 3.15 4.81 -1.82 -1.26 114.58 120.76 1qhb h GLU 89 Ca 0.08 -0.34 -0.10 0.00 -0.13 0.00 0.00 59.36 58.86 1qhb h GLU 89 Cb 0.74 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1qhb h GLU 89 CO 0.06 0.97 -0.40 0.82 -0.73 0.00 0.00 179.01 179.74 1qhb h ILE 90 N 0.72 1.30 0.00 2.32 2.04 -1.09 -2.89 117.51 119.91 1qhb h ILE 90 Ca 0.10 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.48 1qhb h ILE 90 Cb 0.76 1.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1qhb h ILE 90 CO 0.06 0.43 -0.11 0.00 0.00 0.00 0.00 178.15 178.53 1qhb h ALA 91 N 1.45 0.97 -0.20 1.87 0.00 -0.35 -2.97 119.26 120.03 1qhb h ALA 91 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1qhb h ALA 91 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1qhb h ALA 91 CO 0.06 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.45 1qhb n ALA 92 N -2.14 2.50 -1.72 0.00 0.00 -0.57 -4.92 120.51 113.65 1qhb n ALA 92 Ca 0.01 -0.49 -0.30 0.00 0.00 0.00 0.00 53.44 52.66 1qhb n ALA 92 Cb 0.44 -1.07 0.05 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.37 2.90 -0.33 0.00 1.43 -1.12 -5.00 118.68 115.19 1qhb s LEU 93 Ca 0.28 1.32 -0.20 0.00 -1.03 0.00 0.00 54.13 54.50 1qhb s LEU 93 Cb 0.15 -4.12 -0.00 0.00 0.03 0.00 0.00 46.19 42.24 1qhb s LEU 93 CO 0.22 -1.48 0.63 -0.89 0.23 0.00 0.00 176.35 175.06 1qhb s THR 94 N -3.21 4.92 -0.10 5.49 2.01 -1.26 -5.04 115.64 118.45 1qhb s THR 94 Ca 0.58 0.74 0.04 0.00 0.31 0.00 0.00 61.69 63.36 1qhb s THR 94 Cb -0.13 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.35 1qhb s THR 94 CO 0.53 -0.22 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.80 1qhb s LEU 95 N 2.66 2.06 0.00 4.42 2.96 -1.26 -4.49 118.68 125.03 1qhb s LEU 95 Ca 0.25 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 1qhb s LEU 95 Cb -0.15 -1.37 0.00 0.00 0.50 0.00 0.00 46.19 45.17 1qhb s LEU 95 CO 0.13 0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.91 1qhb n GLY 96 N 3.61 -1.25 3.96 7.98 0.00 0.11 -4.98 105.19 114.61 1qhb n GLY 96 Ca -0.19 -1.61 -0.26 0.00 0.00 0.00 0.00 46.02 43.96 1qhb n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qhb s PRO 97 N -1.75 1.38 0.27 1.61 0.04 -1.26 -4.31 135.00 130.98 1qhb s PRO 97 Ca 0.00 -0.67 -0.29 0.00 0.04 0.00 0.00 61.00 60.07 1qhb s PRO 97 Cb 0.00 -2.11 -0.14 0.00 0.04 0.00 0.00 34.50 32.29 1qhb s PRO 97 CO 0.00 -1.78 1.15 0.00 0.04 0.00 0.00 177.00 176.41 1qhb n ALA 98 N -3.21 0.18 -2.81 8.56 0.00 -1.26 -4.63 120.51 117.34 1qhb n ALA 98 Ca 0.14 0.40 -0.31 0.00 0.00 0.00 0.00 53.44 53.66 1qhb n ALA 98 Cb 0.60 -2.10 -0.06 0.00 0.00 0.00 0.00 19.45 17.88 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 -1.23 3.05 -0.07 0.00 0.52 -1.26 -1.22 118.95 118.73 1qhb s ARG 99 Ca 0.62 -0.57 -0.30 0.00 -0.52 0.00 0.00 55.73 54.96 1qhb s ARG 99 Cb -0.69 -2.83 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 1qhb s ARG 99 CO 0.57 0.60 1.42 0.34 0.02 0.00 0.00 175.30 178.25 1qhb s ASP 100 N -2.21 6.84 0.64 0.23 2.15 0.01 -4.89 116.67 119.44 1qhb s ASP 100 Ca 0.28 2.00 0.28 0.00 0.43 0.00 0.00 52.55 55.54 1qhb s ASP 100 Cb -0.12 -2.55 1.50 0.00 -0.30 0.00 0.00 42.92 41.45 1qhb s ASP 100 CO 0.21 -0.78 1.87 -0.65 -0.17 0.00 0.00 175.17 175.64 1qhb h PRO 101 N 8.39 0.00 0.00 4.34 0.11 -1.95 1.90 132.00 144.79 1qhb h PRO 101 Ca -0.34 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.38 1qhb h PRO 101 Cb 1.15 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.20 1qhb h PRO 101 CO 0.94 0.00 -2.45 0.39 -0.21 0.00 0.00 178.00 176.67 1qhb n GLU 102 N -3.17 0.63 0.03 1.05 4.71 -1.26 -4.56 120.64 118.05 1qhb n GLU 102 Ca 0.02 0.16 -0.19 0.00 -0.01 0.00 0.00 57.16 57.14 1qhb n GLU 102 Cb 0.52 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 29.31 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 -0.10 1.53 0.00 2.62 1.35 -1.85 -3.47 112.91 113.00 1qhb h THR 103 Ca -0.58 -2.40 0.00 0.00 -0.55 0.00 0.00 66.41 62.88 1qhb h THR 103 Cb 1.85 3.09 0.00 0.00 -1.73 0.00 0.00 68.15 71.36 1qhb h THR 103 CO -0.12 0.68 0.00 0.61 -0.25 0.00 0.00 175.52 176.44 1qhb n GLY 104 N 1.51 0.80 3.86 5.82 0.00 0.64 -5.01 105.19 112.82 1qhb n GLY 104 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 4.02 0.57 0.99 1.43 -1.25 -4.69 118.68 119.74 1qhb s LEU 105 Ca 0.00 1.17 -0.19 0.00 -1.03 0.00 0.00 54.13 54.07 1qhb s LEU 105 Cb 0.00 -3.99 -0.04 0.00 0.03 0.00 0.00 46.19 42.19 1qhb s LEU 105 CO 0.00 -0.24 1.21 -2.84 0.23 0.00 0.00 176.35 174.71 1qhb s PRO 106 N -3.21 3.08 -0.35 1.29 0.02 -1.26 -0.81 135.00 133.76 1qhb s PRO 106 Ca 0.52 1.84 -0.10 0.00 0.02 0.00 0.00 61.00 63.28 1qhb s PRO 106 Cb -0.10 -2.00 0.02 0.00 0.02 0.00 0.00 34.50 32.43 1qhb s PRO 106 CO 0.22 -1.12 0.18 0.42 -0.33 0.00 0.00 177.00 176.37 1qhb s ILE 107 N -1.57 4.52 0.42 2.83 1.01 -0.36 -4.76 121.20 123.28 1qhb s ILE 107 Ca 0.75 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 60.71 1qhb s ILE 107 Cb -0.31 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 38.71 1qhb s ILE 107 CO 0.34 -0.13 0.60 0.26 0.00 0.00 0.00 174.94 176.00 1qhb s TRP 108 N 1.56 3.07 -0.01 3.97 0.52 -1.26 -4.64 118.94 122.15 1qhb s TRP 108 Ca 0.03 -0.07 -0.14 0.00 0.02 0.00 0.00 56.10 55.94 1qhb s TRP 108 Cb -0.18 -2.27 -0.33 0.00 -1.15 0.00 0.00 33.47 29.54 1qhb s TRP 108 CO 0.06 -0.31 0.84 0.00 0.02 0.00 0.00 176.95 177.56 1qhb h ARG 109 N 0.57 0.46 -6.64 4.98 3.08 -1.97 -3.46 114.38 111.40 1qhb h ARG 109 Ca -0.45 -0.79 -0.51 0.00 0.07 0.00 0.00 59.98 58.31 1qhb h ARG 109 Cb 1.26 0.29 -0.03 0.00 0.08 0.00 0.00 29.97 31.58 1qhb h ARG 109 CO 0.53 1.38 0.15 -1.54 -1.07 0.00 0.00 179.97 179.42 1qhb s SER 110 N -7.42 7.08 0.22 7.04 1.04 -1.26 -4.96 113.70 115.44 1qhb s SER 110 Ca -0.13 1.48 -0.08 0.00 0.48 0.00 0.00 55.95 57.71 1qhb s SER 110 Cb 0.04 -2.45 0.24 0.00 0.10 0.00 0.00 66.02 63.96 1qhb s SER 110 CO 0.90 -0.01 1.86 0.44 0.98 0.00 0.00 173.24 177.41 1qhb h ASP 111 N 3.26 0.81 0.00 7.02 3.32 -1.96 -1.87 116.42 127.01 1qhb h ASP 111 Ca -0.48 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.60 1qhb h ASP 111 Cb 1.19 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.52 1qhb h ASP 111 CO 0.65 0.56 -0.23 0.25 -1.72 0.00 0.00 179.24 178.75 1qhb h LEU 112 N 0.96 -0.68 -0.67 1.55 5.85 -1.96 0.64 115.31 121.01 1qhb h LEU 112 Ca 0.32 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 59.04 1qhb h LEU 112 Cb 0.03 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1qhb h LEU 112 CO -0.12 -0.30 -0.01 0.00 -0.34 0.00 0.00 178.44 177.68 1qhb h ALA 113 N 0.49 0.88 -0.19 1.25 0.00 -1.92 -2.56 119.26 117.21 1qhb h ALA 113 Ca 0.06 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1qhb h ALA 113 Cb 0.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1qhb h ALA 113 CO -0.21 0.66 -0.04 -0.91 0.00 0.00 0.00 179.25 178.75 1qhb h ASN 114 N 0.94 0.37 -0.14 0.00 2.35 -1.01 -2.79 115.58 115.30 1qhb h ASN 114 Ca 0.17 -0.36 0.04 0.00 -0.55 0.00 0.00 56.30 55.60 1qhb h ASN 114 Cb 0.55 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1qhb h ASN 114 CO 0.03 0.65 0.12 0.77 -1.65 0.00 0.00 177.43 177.35 1qhb h SER 115 N 0.09 0.00 0.31 5.81 4.64 0.35 -1.13 113.55 123.61 1qhb h SER 115 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1qhb h SER 115 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1qhb h SER 115 CO 0.02 0.00 -0.35 0.18 -0.87 0.00 0.00 176.83 175.81 1qhb n LEU 116 N -4.10 0.88 -3.55 5.97 4.77 -0.97 -4.96 117.00 115.04 1qhb n LEU 116 Ca 0.00 -0.20 -0.22 0.00 -0.03 0.00 0.00 56.01 55.57 1qhb n LEU 116 Cb 0.24 -0.16 0.08 0.00 -2.33 0.00 0.00 43.42 41.26 1qhb n LEU 116 CO 0.31 0.18 0.19 0.47 -1.33 0.00 0.00 177.39 177.20 1qhb n ASP 117 N -0.92 -4.71 -4.75 -1.43 8.00 -0.43 -4.93 116.55 107.39 1qhb n ASP 117 Ca 0.10 -0.58 -0.36 0.00 0.71 0.00 0.00 54.79 54.65 1qhb n ASP 117 Cb 0.35 -5.01 0.04 0.00 -0.02 0.00 0.00 41.12 36.48 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 -6.97 3.67 0.57 0.64 1.43 -1.11 -5.02 118.68 111.90 1qhb s LEU 118 Ca 0.37 2.49 0.06 0.00 -1.03 0.00 0.00 54.13 56.02 1qhb s LEU 118 Cb -0.17 -4.56 0.06 0.00 0.03 0.00 0.00 46.19 41.55 1qhb s LEU 118 CO 0.74 -1.69 0.50 -1.61 0.23 0.00 0.00 176.35 174.52 1qhb s GLU 119 N -3.28 2.23 0.41 1.70 0.41 -1.26 -4.57 118.70 114.33 1qhb s GLU 119 Ca 0.78 -2.00 -0.03 0.00 -0.41 0.00 0.00 54.97 53.31 1qhb s GLU 119 Cb -0.33 -2.19 -0.04 0.00 -1.78 0.00 0.00 34.13 29.79 1qhb s GLU 119 CO 0.36 -0.74 0.67 0.14 -0.49 0.00 0.00 175.26 175.20 1qhb s VAL 120 N -2.79 4.99 0.19 2.63 -7.23 -1.26 -1.24 120.40 115.69 1qhb s VAL 120 Ca 0.38 -0.05 0.11 0.00 -1.81 0.00 0.00 61.98 60.61 1qhb s VAL 120 Cb -0.03 -3.84 -0.04 0.00 0.56 0.00 0.00 36.38 33.02 1qhb s VAL 120 CO 0.24 -0.67 -0.20 0.00 -0.31 0.00 0.00 175.10 174.17 1qhb s ARG 121 N -4.41 1.67 0.47 4.82 1.70 -0.86 -4.79 118.95 117.55 1qhb s ARG 121 Ca 0.44 -1.46 0.07 0.00 -0.47 0.00 0.00 55.73 54.32 1qhb s ARG 121 Cb -0.10 -1.93 0.01 0.00 -0.57 0.00 0.00 34.95 32.36 1qhb s ARG 121 CO 0.39 0.41 0.46 0.20 -1.08 0.00 0.00 175.30 175.68 1qhb s GLY 122 N -2.72 2.12 0.46 3.88 0.00 -1.26 -4.91 107.32 104.90 1qhb s GLY 122 Ca 0.22 -1.77 -0.23 0.00 0.00 0.00 0.00 44.72 42.94 1qhb s GLY 122 CO 0.11 -1.74 1.16 -0.98 0.00 0.00 0.00 173.10 171.66 1qhb s TRP 123 N -2.56 2.88 -0.43 1.90 0.51 -1.26 -4.81 118.94 115.17 1qhb s TRP 123 Ca 0.47 1.54 -0.16 0.00 -2.12 0.00 0.00 56.10 55.83 1qhb s TRP 123 Cb -0.04 -3.36 0.03 0.00 -0.81 0.00 0.00 33.47 29.29 1qhb s TRP 123 CO 0.28 -1.47 0.39 -1.21 -0.51 0.00 0.00 176.95 174.44 1qhb s GLU 124 N -2.72 3.03 -1.13 4.98 2.02 -1.10 -4.63 118.70 119.14 1qhb s GLU 124 Ca 0.64 -0.96 -0.20 0.00 0.02 0.00 0.00 54.97 54.46 1qhb s GLU 124 Cb -0.28 -4.01 -0.01 0.00 0.10 0.00 0.00 34.13 29.93 1qhb s GLU 124 CO 0.34 -0.87 0.80 0.09 0.02 0.00 0.00 175.26 175.64 1qhb n ASN 125 N 5.42 -5.42 0.03 -0.19 5.03 -1.26 -4.84 115.26 114.03 1qhb n ASN 125 Ca -0.09 -1.00 0.08 0.00 0.87 0.00 0.00 54.58 54.43 1qhb n ASN 125 Cb 0.46 -3.46 0.34 0.00 -1.02 0.00 0.00 39.78 36.10 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 -2.69 0.17 -0.13 6.41 3.41 -1.26 -2.64 113.62 116.88 1qhb n SER 126 Ca -0.09 0.54 0.08 0.00 -0.26 0.00 0.00 58.87 59.14 1qhb n SER 126 Cb 0.59 -0.58 0.11 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.69 1.94 0.34 4.04 7.64 -1.26 -4.73 113.62 119.90 1qhb n SER 127 Ca 0.03 -2.84 0.22 0.00 1.01 0.00 0.00 58.87 57.29 1qhb n SER 127 Cb 0.17 -0.37 1.16 0.00 -1.01 0.00 0.00 64.21 64.16 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 0.00 1.06 0.00 -0.43 0.00 -1.87 -1.03 119.26 117.00 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 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1qhb h ALA 128 CO 0.00 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.60 1qhb n GLY 129 N -1.11 -0.98 0.01 0.00 0.00 -1.26 -2.58 105.19 99.28 1qhb n GLY 129 Ca -0.03 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.08 0.70 -4.74 0.99 4.77 -0.39 -4.65 117.00 112.60 1qhb n LEU 130 Ca 0.19 -0.19 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 1qhb n LEU 130 Cb 0.13 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1qhb n LEU 130 CO 0.17 0.14 0.74 -0.89 -1.33 0.00 0.00 177.39 176.22 1qhb s THR 131 N -3.09 4.08 0.84 -5.08 2.01 -1.07 -5.05 115.64 108.27 1qhb s THR 131 Ca 0.06 1.80 -0.11 0.00 0.31 0.00 0.00 61.69 63.76 1qhb s THR 131 Cb 0.16 -4.15 0.19 0.00 0.01 0.00 0.00 72.50 68.70 1qhb s THR 131 CO 0.81 0.32 1.14 0.49 -0.69 0.00 0.00 174.62 176.69 1qhb n PHE 132 N 2.38 -3.68 -3.67 4.92 3.72 -1.26 -4.70 117.46 115.17 1qhb n PHE 132 Ca 0.02 -1.26 -0.15 0.00 -0.05 0.00 0.00 57.45 56.01 1qhb n PHE 132 Cb 0.47 -0.87 -0.08 0.00 -0.94 0.00 0.00 39.48 38.07 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 -5.30 -0.35 0.20 4.37 -1.08 -1.26 -5.04 116.67 108.22 1qhb s ASP 133 Ca 0.68 0.27 0.25 0.00 -0.52 0.00 0.00 52.55 53.23 1qhb s ASP 133 Cb -0.02 0.39 0.89 0.00 -1.46 0.00 0.00 42.92 42.72 1qhb s ASP 133 CO 0.47 -0.52 1.76 0.18 0.52 0.00 0.00 175.17 177.58 1qhb n LEU 134 N 1.07 0.67 -3.88 -1.34 4.77 -1.26 -4.85 117.00 112.18 1qhb n LEU 134 Ca -0.20 0.59 -0.10 0.00 -0.03 0.00 0.00 56.01 56.27 1qhb n LEU 134 Cb 0.57 -0.41 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 1qhb n LEU 134 CO 0.22 -0.27 -0.15 -1.83 -1.33 0.00 0.00 177.39 174.04 1qhb s GLU 135 N -3.15 0.65 0.00 3.23 -1.05 -1.26 -5.03 118.70 112.09 1qhb s GLU 135 Ca 0.09 -0.68 0.00 0.00 -0.15 0.00 0.00 54.97 54.23 1qhb s GLU 135 Cb 0.12 0.26 0.00 0.00 -0.44 0.00 0.00 34.13 34.07 1qhb s GLU 135 CO 0.52 -0.18 0.00 0.41 0.95 0.00 0.00 175.26 176.97 1qhb n GLY 136 N 0.73 -1.64 3.73 -3.83 0.00 -1.26 -4.91 105.19 98.01 1qhb n GLY 136 Ca -0.19 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.09 2.42 -1.83 1.61 -0.02 -1.26 -4.94 135.00 128.90 1qhb n PRO 137 Ca 0.00 0.85 -0.38 0.00 -2.02 0.00 0.00 63.50 61.95 1qhb n PRO 137 Cb 0.00 -2.54 0.04 0.00 -0.02 0.00 0.00 33.50 30.98 1qhb n PRO 137 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1qhb s ASP 138 N 0.01 5.28 0.41 2.55 2.15 -1.26 -4.88 116.67 120.93 1qhb s ASP 138 Ca 0.58 2.70 0.18 0.00 0.43 0.00 0.00 52.55 56.44 1qhb s ASP 138 Cb -0.53 -2.63 1.09 0.00 -0.30 0.00 0.00 42.92 40.54 1qhb s ASP 138 CO 0.58 -1.56 1.84 0.00 -0.17 0.00 0.00 175.17 175.86 1qhb h ALA 139 N 1.41 2.21 -0.19 3.66 0.00 -1.89 -1.28 119.26 123.18 1qhb h ALA 139 Ca -0.51 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1qhb h ALA 139 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1qhb h ALA 139 CO 0.57 -0.53 0.00 1.04 0.00 0.00 0.00 179.25 180.33 1qhb n GLN 140 N -4.53 1.98 0.02 0.00 6.02 -1.26 -4.13 117.38 115.48 1qhb n GLN 140 Ca 0.21 -1.46 0.12 0.00 -0.01 0.00 0.00 57.00 55.86 1qhb n GLN 140 Cb 0.74 -1.44 0.24 0.00 1.02 0.00 0.00 30.24 30.80 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 0.70 0.54 -4.68 1.08 3.41 -0.48 -4.69 113.62 109.49 1qhb n SER 141 Ca 0.17 -0.07 -0.25 0.00 -0.26 0.00 0.00 58.87 58.46 1qhb n SER 141 Cb 0.43 0.18 -0.08 0.00 -0.26 0.00 0.00 64.21 64.48 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 -3.06 2.47 0.05 -3.33 -7.23 -1.26 -1.83 120.40 106.21 1qhb s VAL 142 Ca 0.09 -1.84 -0.04 0.00 -1.81 0.00 0.00 61.98 58.38 1qhb s VAL 142 Cb 0.16 -2.92 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 1qhb s VAL 142 CO 0.70 -0.10 0.05 0.00 -0.31 0.00 0.00 175.10 175.44 1qhb s ALA 143 N -2.56 0.12 -0.01 1.32 0.00 -1.26 -4.85 121.76 114.52 1qhb s ALA 143 Ca 0.37 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.62 1qhb s ALA 143 Cb 0.02 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 1qhb s ALA 143 CO 0.21 -0.34 -0.17 -1.64 0.00 0.00 0.00 175.76 173.82 1qhb s MET 144 N -3.04 2.29 0.88 0.00 -1.94 -1.26 -4.95 119.30 111.27 1qhb s MET 144 Ca -0.01 -0.84 -0.11 0.00 -1.71 0.00 0.00 55.69 53.02 1qhb s MET 144 Cb 0.01 -2.27 0.12 0.00 2.01 0.00 0.00 34.83 34.70 1qhb s MET 144 CO -0.07 0.58 1.09 -1.25 -0.01 0.00 0.00 175.02 175.37 1qhb s PRO 145 N -1.03 1.42 0.25 2.03 0.04 -1.26 -4.51 135.00 131.94 1qhb s PRO 145 Ca 0.13 0.90 -0.29 0.00 0.04 0.00 0.00 61.00 61.77 1qhb s PRO 145 Cb -0.11 -1.82 -0.14 0.00 0.04 0.00 0.00 34.50 32.47 1qhb s PRO 145 CO 0.03 -2.15 1.08 -2.30 0.04 0.00 0.00 177.00 173.69 1qhb n PRO 146 N -3.83 1.35 -2.02 0.56 -0.02 -1.22 -4.97 135.00 124.85 1qhb n PRO 146 Ca 0.07 0.47 -0.32 0.00 -2.02 0.00 0.00 63.50 61.70 1qhb n PRO 146 Cb 0.55 -1.90 0.01 0.00 -0.02 0.00 0.00 33.50 32.14 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 -0.76 2.78 0.41 3.55 0.00 -1.26 -4.88 121.76 121.60 1qhb s ALA 147 Ca 0.63 0.31 -0.25 0.00 0.00 0.00 0.00 51.96 52.65 1qhb s ALA 147 Cb -0.74 -3.20 -0.11 0.00 0.00 0.00 0.00 23.12 19.07 1qhb s ALA 147 CO 0.57 -0.79 1.03 -2.30 0.00 0.00 0.00 175.76 174.27 1qhb n PRO 148 N -2.15 1.40 -3.17 0.00 -0.02 -1.26 -4.65 135.00 125.15 1qhb n PRO 148 Ca 0.08 0.50 -0.25 0.00 -2.02 0.00 0.00 63.50 61.81 1qhb n PRO 148 Cb 0.53 -2.05 -0.01 0.00 -0.02 0.00 0.00 33.50 31.95 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 -1.25 5.05 0.54 -1.45 -7.23 -1.26 -4.96 120.40 109.83 1qhb s VAL 149 Ca 0.63 -0.25 0.21 0.00 -1.81 0.00 0.00 61.98 60.76 1qhb s VAL 149 Cb -0.56 -3.86 0.32 0.00 0.56 0.00 0.00 36.38 32.84 1qhb s VAL 149 CO 0.57 -0.63 2.12 -0.07 -0.31 0.00 0.00 175.10 176.79 1qhb h LEU 150 N 0.66 0.00 -2.92 1.32 3.38 -1.96 -1.05 115.31 114.74 1qhb h LEU 150 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1qhb h LEU 150 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1qhb h LEU 150 CO 0.62 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.50 1qhb n THR 151 N -4.34 1.72 -3.58 0.22 -2.24 -1.26 -4.77 114.28 100.02 1qhb n THR 151 Ca 0.00 -1.10 -0.25 0.00 -2.27 0.00 0.00 64.05 60.43 1qhb n THR 151 Cb 0.23 0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.86 6.35 0.23 3.42 1.04 -0.40 -4.99 113.70 118.50 1qhb s SER 152 Ca 0.48 0.41 -0.07 0.00 0.48 0.00 0.00 55.95 57.25 1qhb s SER 152 Cb 0.31 -2.01 0.31 0.00 0.10 0.00 0.00 66.02 64.73 1qhb s SER 152 CO 0.23 -0.15 1.82 -0.65 0.98 0.00 0.00 173.24 175.47 1qhb h PRO 153 N 1.42 0.79 -0.55 4.02 0.11 -1.93 -2.04 132.00 133.81 1qhb h PRO 153 Ca -0.49 -0.05 0.11 0.00 0.11 0.00 0.00 66.00 65.68 1qhb h PRO 153 Cb 1.21 -0.18 -0.09 0.00 0.11 0.00 0.00 31.00 32.05 1qhb h PRO 153 CO 0.64 0.52 0.04 1.49 -0.21 0.00 0.00 178.00 180.49 1qhb h GLU 154 N 0.81 0.16 -0.40 1.05 4.81 -1.94 -0.98 114.58 118.09 1qhb h GLU 154 Ca 0.35 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.43 1qhb h GLU 154 Cb 0.22 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1qhb h GLU 154 CO -0.19 0.11 -0.32 1.25 -0.73 0.00 0.00 179.01 179.13 1qhb h LEU 155 N 0.16 0.94 -0.03 1.64 7.12 -1.63 -0.09 115.31 123.41 1qhb h LEU 155 Ca 0.28 -0.39 0.03 0.00 0.13 0.00 0.00 57.88 57.93 1qhb h LEU 155 Cb 0.43 -0.26 -0.04 0.00 -0.53 0.00 0.00 40.66 40.26 1qhb h LEU 155 CO -0.43 1.17 -0.20 0.40 -0.13 0.00 0.00 178.44 179.25 1qhb h ILE 156 N 0.75 0.52 -0.81 4.05 2.04 -0.85 0.25 117.51 123.46 1qhb h ILE 156 Ca 0.08 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 1qhb h ILE 156 Cb 0.88 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 1qhb h ILE 156 CO 0.08 0.00 0.43 0.00 0.00 0.00 0.00 178.15 178.66 1qhb h ALA 157 N 0.62 1.25 -0.44 1.87 0.00 -1.00 -1.25 119.26 120.30 1qhb h ALA 157 Ca 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1qhb h ALA 157 Cb 0.40 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1qhb h ALA 157 CO -0.21 0.61 0.20 0.93 0.00 0.00 0.00 179.25 180.77 1qhb h GLU 158 N 1.13 0.65 -0.55 0.00 5.08 -0.30 -2.17 114.58 118.41 1qhb h GLU 158 Ca 0.28 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 1qhb h GLU 158 Cb 0.04 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1qhb h GLU 158 CO -0.04 0.58 -0.06 0.52 -1.00 0.00 0.00 179.01 179.00 1qhb h MET 159 N 0.57 1.02 -0.41 2.33 2.86 -0.30 -2.12 114.93 118.89 1qhb h MET 159 Ca 0.15 -0.36 0.03 0.00 -2.06 0.00 0.00 59.70 57.46 1qhb h MET 159 Cb 0.15 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 1qhb h MET 159 CO -0.02 1.05 0.20 0.00 1.06 0.00 0.00 176.91 179.20 1qhb h ALA 160 N 0.94 0.51 -0.66 6.32 0.00 -1.21 -0.22 119.26 124.94 1qhb h ALA 160 Ca 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1qhb h ALA 160 Cb 0.63 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1qhb h ALA 160 CO 0.04 -0.16 0.31 1.49 0.00 0.00 0.00 179.25 180.94 1qhb h GLU 161 N 0.41 0.93 -0.17 0.00 4.81 -1.29 -2.03 114.58 117.25 1qhb h GLU 161 Ca 0.18 -0.12 -0.17 0.00 -0.13 0.00 0.00 59.36 59.11 1qhb h GLU 161 Cb 0.09 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 1qhb h GLU 161 CO -0.13 0.73 -0.61 -0.07 -0.73 0.00 0.00 179.01 178.20 1qhb h LEU 162 N 0.93 0.66 -0.70 1.64 3.38 -0.60 -1.76 115.31 118.86 1qhb h LEU 162 Ca 0.23 -0.38 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 1qhb h LEU 162 Cb 0.10 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1qhb h LEU 162 CO -0.03 1.11 -0.11 1.88 0.09 0.00 0.00 178.44 181.39 1qhb h TYR 163 N 0.43 0.98 -0.07 1.13 0.05 -0.80 -1.80 116.97 116.89 1qhb h TYR 163 Ca -0.01 -0.19 -0.11 0.00 0.05 0.00 0.00 58.73 58.47 1qhb h TYR 163 Cb 1.18 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 38.66 1qhb h TYR 163 CO 0.05 0.94 -0.46 -0.07 -1.05 0.00 0.00 178.16 177.57 1qhb h LEU 164 N 0.80 0.19 -0.51 3.88 3.38 -1.31 -0.63 115.31 121.10 1qhb h LEU 164 Ca 0.13 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1qhb h LEU 164 Cb 0.63 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1qhb h LEU 164 CO 0.04 0.62 -0.33 0.24 0.09 0.00 0.00 178.44 179.11 1qhb h MET 165 N 0.14 0.86 -0.52 1.13 2.86 -1.19 0.72 114.93 118.94 1qhb h MET 165 Ca 0.01 -0.42 -0.09 0.00 -2.06 0.00 0.00 59.70 57.14 1qhb h MET 165 Cb 0.87 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 1qhb h MET 165 CO 0.07 1.06 -0.04 0.00 1.06 0.00 0.00 176.91 179.06 1qhb h ALA 166 N 0.90 0.94 0.00 6.32 0.00 -0.77 -2.31 119.26 124.33 1qhb h ALA 166 Ca 0.07 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 1qhb h ALA 166 Cb 0.89 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1qhb h ALA 166 CO 0.08 0.63 -0.65 -0.07 0.00 0.00 0.00 179.25 179.24 1qhb h LEU 167 N 0.84 0.00 -3.12 0.00 3.38 -0.83 -3.10 115.31 112.49 1qhb h LEU 167 Ca 0.15 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 1qhb h LEU 167 Cb 0.55 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1qhb h LEU 167 CO 0.03 0.65 0.14 0.61 0.09 0.00 0.00 178.44 179.96 1qhb n GLY 168 N 0.59 2.99 0.26 0.83 0.00 0.22 -4.61 105.19 105.47 1qhb n GLY 168 Ca -0.00 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.34 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 2.44 0.08 -0.66 1.61 3.08 -1.34 -2.57 114.38 117.02 1qhb h ARG 169 Ca 0.13 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1qhb h ARG 169 Cb 1.86 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.89 1qhb h ARG 169 CO 0.51 0.09 0.00 -0.25 -1.07 0.00 0.00 179.97 179.25 1qhb n ASP 170 N -4.49 4.89 -4.75 7.04 8.00 -1.26 -0.80 116.55 125.18 1qhb n ASP 170 Ca -0.02 -2.48 -0.40 0.00 0.71 0.00 0.00 54.79 52.60 1qhb n ASP 170 Cb 0.12 -0.59 -0.06 0.00 -0.02 0.00 0.00 41.12 40.56 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 -1.91 4.14 0.05 0.53 1.01 -0.97 -4.87 121.20 119.19 1qhb s ILE 171 Ca 0.52 2.05 -0.26 0.00 0.00 0.00 0.00 60.65 62.97 1qhb s ILE 171 Cb 0.34 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 1qhb s ILE 171 CO 0.25 0.48 0.80 -1.61 0.00 0.00 0.00 174.94 174.86 1qhb s GLU 172 N -1.05 4.53 0.25 2.79 2.02 -1.26 -2.39 118.70 123.60 1qhb s GLU 172 Ca 0.41 1.13 -0.02 0.00 0.02 0.00 0.00 54.97 56.50 1qhb s GLU 172 Cb -0.25 -3.37 0.49 0.00 0.10 0.00 0.00 34.13 31.09 1qhb s GLU 172 CO 0.31 0.26 1.77 0.74 0.02 0.00 0.00 175.26 178.36 1qhb h PHE 173 N 5.69 0.73 0.00 1.61 0.04 -1.49 -0.14 116.94 123.39 1qhb h PHE 173 Ca -0.44 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.37 1qhb h PHE 173 Cb 1.21 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 39.15 1qhb h PHE 173 CO 0.65 0.19 0.00 0.43 -0.60 0.00 0.00 178.31 178.98 1qhb n SER 174 N -4.87 0.00 -0.24 2.17 7.64 -1.26 -3.02 113.62 114.04 1qhb n SER 174 Ca 0.16 -0.01 0.09 0.00 1.01 0.00 0.00 58.87 60.11 1qhb n SER 174 Cb 0.40 -0.24 0.16 0.00 -1.01 0.00 0.00 64.21 63.52 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 -1.24 1.43 -0.09 1.43 1.02 -0.07 -4.74 120.64 118.39 1qhb n GLU 175 Ca 0.08 -2.76 0.00 0.00 -0.02 0.00 0.00 57.16 54.46 1qhb n GLU 175 Cb 0.11 -1.55 0.29 0.00 -0.02 0.00 0.00 31.44 30.27 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 0.31 0.71 -0.70 -0.32 -1.00 -1.53 -2.51 116.94 111.91 1qhb h PHE 176 Ca 0.00 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1qhb h PHE 176 Cb 1.03 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 40.37 1qhb h PHE 176 CO 0.20 0.55 0.00 -3.47 -1.61 0.00 0.00 178.31 173.98 1qhb n ASP 177 N -4.36 4.21 -4.80 2.17 -0.08 -1.26 -4.83 116.55 107.60 1qhb n ASP 177 Ca 0.04 -2.16 -0.37 0.00 -1.51 0.00 0.00 54.79 50.79 1qhb n ASP 177 Cb 0.14 -0.51 -0.06 0.00 2.34 0.00 0.00 41.12 43.03 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 -0.98 7.15 0.48 1.67 0.15 -0.95 -4.97 113.70 116.26 1qhb s SER 178 Ca 0.49 1.47 0.21 0.00 0.70 0.00 0.00 55.95 58.82 1qhb s SER 178 Cb 0.28 -2.44 1.24 0.00 -1.71 0.00 0.00 66.02 63.39 1qhb s SER 178 CO 0.30 0.11 1.95 -0.65 1.20 0.00 0.00 173.24 176.14 1qhb h PRO 179 N 3.78 0.20 0.00 5.44 0.11 -1.93 0.70 132.00 140.29 1qhb h PRO 179 Ca -0.48 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1qhb h PRO 179 Cb 1.20 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1qhb h PRO 179 CO 0.65 0.13 -0.01 1.57 -0.21 0.00 0.00 178.00 180.13 1qhb h LYS 180 N 0.20 0.00 -0.08 1.05 2.10 -1.93 -2.45 116.57 115.47 1qhb h LYS 180 Ca 0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 1qhb h LYS 180 Cb 1.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 1qhb h LYS 180 CO -0.06 0.01 0.00 0.09 -2.00 0.00 0.00 179.45 177.49 1qhb n ASN 181 N -3.15 2.27 -0.28 7.07 3.02 0.22 -4.74 115.26 119.67 1qhb n ASN 181 Ca -0.01 -1.63 0.07 0.00 -0.03 0.00 0.00 54.58 52.98 1qhb n ASN 181 Cb 0.20 -0.04 0.22 0.00 -0.61 0.00 0.00 39.78 39.55 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 2.63 1.23 -0.08 5.41 0.00 -1.21 -0.04 119.26 127.20 1qhb h ALA 182 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1qhb h ALA 182 Cb 0.60 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1qhb h ALA 182 CO 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 179.25 179.13 1qhb h ALA 183 N 1.57 0.10 0.27 0.00 0.00 -1.85 -0.14 119.26 119.21 1qhb h ALA 183 Ca 0.46 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1qhb h ALA 183 Cb 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1qhb h ALA 183 CO -0.40 -0.34 -0.13 0.35 0.00 0.00 0.00 179.25 178.73 1qhb h PHE 184 N 0.01 -0.33 -0.28 0.00 3.57 -1.80 -2.66 116.94 115.44 1qhb h PHE 184 Ca 0.03 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.55 1qhb h PHE 184 Cb 0.11 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1qhb h PHE 184 CO -0.04 -0.06 0.08 0.82 -2.23 0.00 0.00 178.31 176.88 1qhb h ILE 185 N -0.58 0.90 -0.61 1.41 1.08 -0.97 0.00 117.51 118.74 1qhb h ILE 185 Ca -0.04 -0.07 -0.06 0.00 -0.39 0.00 0.00 64.86 64.31 1qhb h ILE 185 Cb 0.42 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 34.83 1qhb h ILE 185 CO 0.06 0.03 0.14 0.03 -0.69 0.00 0.00 178.15 177.72 1qhb h ARG 186 N 0.19 0.96 -0.03 2.37 2.47 -1.11 -0.98 114.38 118.26 1qhb h ARG 186 Ca 0.13 -0.22 -0.13 0.00 -1.26 0.00 0.00 59.98 58.50 1qhb h ARG 186 Cb 0.11 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.29 1qhb h ARG 186 CO -0.15 0.86 -0.60 1.03 0.56 0.00 0.00 179.97 181.68 1qhb h SER 187 N 0.92 0.12 -0.06 7.04 0.87 -1.18 -2.39 113.55 118.87 1qhb h SER 187 Ca 0.19 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1qhb h SER 187 Cb 0.34 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1qhb h SER 187 CO 0.00 0.69 -0.00 0.00 -0.53 0.00 0.00 176.83 176.99 1qhb h ALA 188 N 1.31 0.08 -0.36 6.23 0.00 -0.36 -2.39 119.26 123.77 1qhb h ALA 188 Ca -0.01 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1qhb h ALA 188 Cb 1.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1qhb h ALA 188 CO 0.08 -0.25 -0.21 0.82 0.00 0.00 0.00 179.25 179.70 1qhb h ILE 189 N -0.20 1.27 -0.08 0.00 2.04 -1.16 -1.97 117.51 117.41 1qhb h ILE 189 Ca 0.02 -1.29 -0.17 0.00 1.00 0.00 0.00 64.86 64.41 1qhb h ILE 189 Cb 0.35 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1qhb h ILE 189 CO 0.00 0.43 -0.70 -0.08 0.00 0.00 0.00 178.15 177.80 1qhb h GLU 190 N 0.61 0.35 -0.19 2.37 4.81 -1.45 -0.30 114.58 120.79 1qhb h GLU 190 Ca 0.09 -0.28 -0.17 0.00 -0.13 0.00 0.00 59.36 58.87 1qhb h GLU 190 Cb 0.69 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1qhb h GLU 190 CO 0.05 0.91 -0.55 0.00 -0.73 0.00 0.00 179.01 178.69 1qhb h ARG 191 N 0.24 0.71 -0.35 1.92 3.08 -1.36 -1.99 114.38 116.64 1qhb h ARG 191 Ca -0.02 -0.51 -0.15 0.00 0.07 0.00 0.00 59.98 59.37 1qhb h ARG 191 Cb 1.25 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.38 1qhb h ARG 191 CO 0.12 1.13 -0.36 -0.07 -1.07 0.00 0.00 179.97 179.71 1qhb h LEU 192 N 0.42 0.86 0.00 3.04 3.38 -1.38 -1.04 115.31 120.59 1qhb h LEU 192 Ca -0.01 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1qhb h LEU 192 Cb 1.17 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1qhb h LEU 192 CO 0.12 1.13 0.00 0.59 0.09 0.00 0.00 178.44 180.37 1qhb n ASN 193 N -4.06 0.00 -0.40 -0.43 3.02 -0.12 -1.51 115.26 111.76 1qhb n ASN 193 Ca -0.02 -0.19 0.14 0.00 -0.03 0.00 0.00 54.58 54.48 1qhb n ASN 193 Cb 0.52 -0.20 0.49 0.00 -0.61 0.00 0.00 39.78 39.98 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 0.37 -0.21 3.84 7.41 0.00 -0.40 -4.52 105.19 111.69 1qhb n GLY 194 Ca 0.11 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.16 4.35 0.29 0.99 1.43 -0.57 -4.99 118.68 118.02 1qhb s LEU 195 Ca 0.34 0.45 0.04 0.00 -1.03 0.00 0.00 54.13 53.93 1qhb s LEU 195 Cb 0.20 -2.12 0.68 0.00 0.03 0.00 0.00 46.19 44.99 1qhb s LEU 195 CO 0.39 0.34 1.79 -0.08 0.23 0.00 0.00 176.35 179.02 1qhb h GLU 196 N 5.41 0.78 -0.61 1.70 4.81 -1.89 -1.16 114.58 123.62 1qhb h GLU 196 Ca -0.51 -0.05 0.13 0.00 -0.13 0.00 0.00 59.36 58.80 1qhb h GLU 196 Cb 1.21 -0.18 -0.10 0.00 0.63 0.00 0.00 28.75 30.31 1qhb h GLU 196 CO 0.63 0.52 -0.02 2.35 -0.73 0.00 0.00 179.01 181.76 1qhb h TRP 197 N 0.80 -0.07 0.07 0.92 2.91 -1.85 -2.03 115.95 116.71 1qhb h TRP 197 Ca 0.55 0.05 -0.28 0.00 1.13 0.00 0.00 58.89 60.34 1qhb h TRP 197 Cb 0.78 0.13 -0.02 0.00 -0.51 0.00 0.00 29.16 29.54 1qhb h TRP 197 CO -0.01 -0.17 -1.45 0.74 -1.03 0.00 0.00 178.44 176.52 1qhb h PHE 198 N 0.10 0.27 -0.17 2.65 0.04 -1.53 -3.38 116.94 114.93 1qhb h PHE 198 Ca 0.31 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1qhb h PHE 198 Cb 0.51 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.65 1qhb h PHE 198 CO -0.38 1.23 0.00 0.27 -0.60 0.00 0.00 178.31 178.84 1qhb n ASN 199 N -3.36 2.51 -4.01 2.17 0.23 -0.51 -3.50 115.26 108.80 1qhb n ASN 199 Ca -0.13 -1.83 -0.20 0.00 -0.53 0.00 0.00 54.58 51.89 1qhb n ASN 199 Cb 1.02 -0.10 -0.15 0.00 -2.08 0.00 0.00 39.78 38.47 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 -1.80 0.76 0.77 5.53 2.01 -0.78 -5.01 115.64 117.11 1qhb s THR 200 Ca 0.34 -0.36 -0.12 0.00 0.31 0.00 0.00 61.69 61.86 1qhb s THR 200 Cb 0.20 -0.66 0.05 0.00 0.01 0.00 0.00 72.50 72.10 1qhb s THR 200 CO 0.30 0.23 1.10 -2.16 -0.69 0.00 0.00 174.62 173.41 1qhb s PRO 201 N 0.07 2.35 0.99 4.92 0.04 -1.26 -4.73 135.00 137.38 1qhb s PRO 201 Ca -0.01 0.52 -0.11 0.00 0.04 0.00 0.00 61.00 61.44 1qhb s PRO 201 Cb -0.07 -1.96 0.18 0.00 0.04 0.00 0.00 34.50 32.70 1qhb s PRO 201 CO 0.00 -1.41 1.10 0.00 0.04 0.00 0.00 177.00 176.74 1qhb s ALA 202 N -3.27 0.90 0.08 8.56 0.00 -1.26 -5.03 121.76 121.73 1qhb s ALA 202 Ca 0.60 0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.95 1qhb s ALA 202 Cb -0.13 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1qhb s ALA 202 CO 0.53 -3.04 -0.11 0.15 0.00 0.00 0.00 175.76 173.29 1qhb s LYS 203 N -4.61 2.18 0.20 0.00 1.02 -1.26 -5.05 119.74 112.22 1qhb s LYS 203 Ca 0.67 -0.97 -0.32 0.00 0.02 0.00 0.00 55.97 55.37 1qhb s LYS 203 Cb -0.23 -2.32 -0.14 0.00 -0.52 0.00 0.00 37.83 34.62 1qhb s LYS 203 CO 0.60 0.53 1.30 -0.11 -0.92 0.00 0.00 175.35 176.75 1qhb n LEU 204 N 0.98 2.37 0.00 3.17 7.94 -1.26 -1.13 117.00 129.06 1qhb n LEU 204 Ca -0.14 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.90 1qhb n LEU 204 Cb 0.52 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 43.15 1qhb n LEU 204 CO 0.32 -0.86 0.00 0.61 -1.11 0.00 0.00 177.39 176.35 1qhb n GLY 205 N 2.14 2.70 3.79 -3.96 0.00 -1.26 -5.06 105.19 103.53 1qhb n GLY 205 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 5.52 0.26 1.61 1.01 -0.29 -4.95 116.67 118.88 1qhb s ASP 206 Ca 0.00 1.94 -0.31 0.00 0.71 0.00 0.00 52.55 54.90 1qhb s ASP 206 Cb 0.00 -2.55 -0.13 0.00 1.01 0.00 0.00 42.92 41.25 1qhb s ASP 206 CO 0.00 -1.35 1.45 -2.65 0.21 0.00 0.00 175.17 172.84 1qhb n PRO 207 N -2.05 2.24 -0.34 8.23 -0.02 -1.26 -4.82 135.00 136.98 1qhb n PRO 207 Ca 0.10 0.80 0.09 0.00 -2.02 0.00 0.00 63.50 62.46 1qhb n PRO 207 Cb 0.52 -2.48 0.28 0.00 -0.02 0.00 0.00 33.50 31.80 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 4.24 0.88 -0.59 0.52 0.11 -1.99 -1.01 132.00 134.16 1qhb h PRO 208 Ca -0.46 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1qhb h PRO 208 Cb 1.26 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1qhb h PRO 208 CO 0.76 0.58 0.27 0.00 -0.21 0.00 0.00 178.00 179.40 1qhb h ALA 209 N 1.56 1.38 -0.48 -0.75 0.00 -2.00 -1.12 119.26 117.86 1qhb h ALA 209 Ca 0.49 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.19 1qhb h ALA 209 Cb 0.58 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1qhb h ALA 209 CO -0.26 0.48 -0.04 0.93 0.00 0.00 0.00 179.25 180.37 1qhb h GLU 210 N 0.83 0.88 -0.55 0.00 5.08 -1.57 -2.62 114.58 116.62 1qhb h GLU 210 Ca 0.20 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1qhb h GLU 210 Cb 0.10 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1qhb h GLU 210 CO -0.03 0.93 0.24 0.82 -1.00 0.00 0.00 179.01 179.98 1qhb h ILE 211 N 0.73 1.21 -0.21 3.13 2.04 -0.95 -1.47 117.51 121.98 1qhb h ILE 211 Ca 0.13 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.30 1qhb h ILE 211 Cb 0.56 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1qhb h ILE 211 CO 0.03 0.24 -0.17 -0.09 0.00 0.00 0.00 178.15 178.17 1qhb h ARG 212 N 0.74 0.36 -0.43 2.37 2.43 -1.10 -3.00 114.38 115.76 1qhb h ARG 212 Ca 0.19 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1qhb h ARG 212 Cb 0.16 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1qhb h ARG 212 CO -0.02 0.52 0.00 2.89 -1.51 0.00 0.00 179.97 181.85 1qhb n ARG 213 N -4.20 2.54 -2.39 0.20 1.85 -1.00 -4.96 116.66 108.69 1qhb n ARG 213 Ca -0.00 -2.34 -0.41 0.00 -1.00 0.00 0.00 57.85 54.10 1qhb n ARG 213 Cb 0.32 -1.52 -0.04 0.00 -1.05 0.00 0.00 32.46 30.18 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 -1.43 4.52 0.15 2.89 3.52 -0.58 -5.02 118.95 123.00 1qhb s ARG 214 Ca 0.40 1.86 0.05 0.00 -0.13 0.00 0.00 55.73 57.91 1qhb s ARG 214 Cb 0.23 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 30.35 1qhb s ARG 214 CO 0.32 -0.03 0.12 1.03 -0.81 0.00 0.00 175.30 175.93 1qhb s ARG 215 N -0.49 2.86 0.00 5.12 0.52 -1.26 -5.04 118.95 120.66 1qhb s ARG 215 Ca 0.51 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.86 1qhb s ARG 215 Cb -0.32 -2.63 0.00 0.00 0.52 0.00 0.00 34.95 32.51 1qhb s ARG 215 CO 0.38 0.49 0.00 0.41 0.02 0.00 0.00 175.30 176.60 1qhb n GLY 216 N -0.21 1.81 3.62 -3.53 0.00 -1.26 -4.22 105.19 101.40 1qhb n GLY 216 Ca -0.08 -1.91 -0.49 0.00 0.00 0.00 0.00 46.02 43.54 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 1.58 -3.06 1.61 2.13 -1.23 -4.81 120.64 116.86 1qhb n GLU 217 Ca 0.00 0.57 -0.39 0.00 0.66 0.00 0.00 57.16 57.99 1qhb n GLU 217 Cb 0.00 -2.25 -0.05 0.00 0.27 0.00 0.00 31.44 29.41 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 0.56 4.77 0.31 6.31 1.01 -1.26 -4.98 120.40 127.11 1qhb s VAL 218 Ca 0.80 1.50 0.03 0.00 0.00 0.00 0.00 61.98 64.31 1qhb s VAL 218 Cb -0.82 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 31.45 1qhb s VAL 218 CO 0.44 0.39 0.10 0.42 0.00 0.00 0.00 175.10 176.45 1qhb s THR 219 N -0.18 0.71 0.42 3.92 -4.23 -1.26 -4.93 115.64 110.09 1qhb s THR 219 Ca 0.36 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.95 1qhb s THR 219 Cb -0.20 -2.62 0.23 0.00 1.34 0.00 0.00 72.50 71.25 1qhb s THR 219 CO 0.21 0.00 2.02 0.58 -0.54 0.00 0.00 174.62 176.90 1qhb h VAL 220 N 2.19 1.11 0.00 2.29 2.07 -1.97 -0.97 116.25 120.98 1qhb h VAL 220 Ca -0.38 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1qhb h VAL 220 Cb 1.25 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1qhb h VAL 220 CO 0.61 0.13 0.00 1.23 0.02 0.00 0.00 177.57 179.56 1qhb h GLY 221 N 0.53 0.00 0.00 2.17 0.00 -1.99 -3.21 103.07 100.57 1qhb h GLY 221 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1qhb h GLY 221 CO -0.01 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.69 1qhb n ASN 222 N -2.73 1.27 -4.68 0.19 0.23 -0.90 -4.93 115.26 103.72 1qhb n ASN 222 Ca 0.03 -1.33 -0.42 0.00 -0.53 0.00 0.00 54.58 52.32 1qhb n ASN 222 Cb 0.36 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.03 1qhb n ASN 222 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1qhb s LEU 223 N -0.33 4.41 -1.50 -4.53 2.96 -0.42 -1.65 118.68 117.62 1qhb s LEU 223 Ca 0.00 2.75 0.00 0.00 -0.22 0.00 0.00 54.13 56.66 1qhb s LEU 223 Cb 0.00 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.14 1qhb s LEU 223 CO 0.00 -1.03 0.00 0.49 -1.32 0.00 0.00 176.35 174.49 1qhb n PHE 224 N 6.31 0.00 -3.14 5.38 3.72 -1.26 -4.99 117.46 123.47 1qhb n PHE 224 Ca 0.19 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.41 1qhb n PHE 224 Cb 0.39 -2.65 0.01 0.00 -0.94 0.00 0.00 39.48 36.28 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 -3.14 2.91 0.21 -1.08 0.52 -0.66 -5.04 118.95 112.68 1qhb s ARG 225 Ca 0.00 -1.16 0.01 0.00 -0.52 0.00 0.00 55.73 54.06 1qhb s ARG 225 Cb 0.00 -2.77 0.04 0.00 0.52 0.00 0.00 34.95 32.74 1qhb s ARG 225 CO 0.00 -0.18 0.29 0.41 0.02 0.00 0.00 175.30 175.85 1qhb n GLY 226 N -1.80 1.11 0.06 -3.53 0.00 -1.26 -5.06 105.19 94.72 1qhb n GLY 226 Ca 0.06 -2.04 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 -1.70 1.20 -2.12 -0.61 -5.35 -1.26 -4.66 119.36 104.87 1qhb n ILE 227 Ca 0.05 -1.36 -0.38 0.00 -0.27 0.00 0.00 62.75 60.80 1qhb n ILE 227 Cb 0.19 0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 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 -1.60 4.00 0.08 7.28 1.43 -1.26 -4.90 118.68 123.71 1qhb s LEU 228 Ca 0.13 2.46 -0.33 0.00 -1.03 0.00 0.00 54.13 55.36 1qhb s LEU 228 Cb 0.11 -4.21 -0.12 0.00 0.03 0.00 0.00 46.19 42.01 1qhb s LEU 228 CO 0.01 -1.06 1.79 -2.65 0.23 0.00 0.00 176.35 174.67 1qhb n PRO 229 N -0.53 2.49 0.00 1.29 -0.02 -1.26 -1.77 135.00 135.19 1qhb n PRO 229 Ca 0.08 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 1qhb n PRO 229 Cb 0.47 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 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 4.09 1.84 0.24 -1.23 0.00 -1.26 -4.58 105.19 104.30 1qhb n GLY 230 Ca 0.19 -0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 1.14 0.00 -0.22 1.61 0.02 -1.52 -2.72 113.55 111.85 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 0.12 0.00 -0.62 -1.14 0.00 0.00 176.83 175.19 1qhb n GLU 232 N -4.18 1.92 -3.75 3.45 1.02 -1.26 -4.85 120.64 112.99 1qhb n GLU 232 Ca -0.02 -1.38 -0.36 0.00 -0.02 0.00 0.00 57.16 55.38 1qhb n GLU 232 Cb 0.20 -1.42 -0.09 0.00 -0.02 0.00 0.00 31.44 30.12 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 -1.72 5.24 0.00 2.62 1.01 -1.03 -4.99 120.40 121.54 1qhb s VAL 233 Ca 0.33 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1qhb s VAL 233 Cb 0.18 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1qhb s VAL 233 CO 0.27 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.38 1qhb n GLY 234 N 3.89 -1.84 3.60 4.51 0.00 -1.26 -4.90 105.19 109.20 1qhb n GLY 234 Ca -0.16 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 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 0.00 -0.02 0.04 1.61 -0.02 -1.26 -4.93 135.00 130.43 1qhb n PRO 235 Ca 0.00 0.06 -0.12 0.00 -2.02 0.00 0.00 63.50 61.42 1qhb n PRO 235 Cb 0.00 -2.23 -0.08 0.00 -0.02 0.00 0.00 33.50 31.17 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 -1.15 -0.04 -3.42 6.00 5.03 -1.90 -3.43 116.97 118.06 1qhb h TYR 236 Ca -0.45 -0.00 -0.55 0.00 2.58 0.00 0.00 58.73 60.31 1qhb h TYR 236 Cb 1.30 0.01 -0.04 0.00 1.55 0.00 0.00 36.73 39.55 1qhb h TYR 236 CO 0.44 0.09 0.13 -0.51 -1.32 0.00 0.00 178.16 176.99 1qhb s LEU 237 N -9.96 4.48 0.53 2.82 1.43 -1.26 -4.94 118.68 111.78 1qhb s LEU 237 Ca -0.14 1.44 -0.22 0.00 -1.03 0.00 0.00 54.13 54.18 1qhb s LEU 237 Cb 0.05 -3.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.03 1qhb s LEU 237 CO 0.66 0.08 1.35 -0.55 0.23 0.00 0.00 176.35 178.12 1qhb s SER 238 N -0.35 5.35 0.47 2.29 0.15 -1.26 -4.86 113.70 115.49 1qhb s SER 238 Ca 0.36 2.75 0.14 0.00 0.70 0.00 0.00 55.95 59.91 1qhb s SER 238 Cb -0.21 -2.64 1.11 0.00 -1.71 0.00 0.00 66.02 62.58 1qhb s SER 238 CO 0.23 -1.51 2.07 1.56 1.20 0.00 0.00 173.24 176.78 1qhb h GLN 239 N 1.55 0.25 0.00 5.44 1.08 -1.91 -2.47 115.11 119.04 1qhb h GLN 239 Ca -0.51 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.68 1qhb h GLN 239 Cb 1.29 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 1qhb h GLN 239 CO 0.58 0.16 0.00 1.19 -0.95 0.00 0.00 178.83 179.81 1qhb n PHE 240 N -4.49 0.23 0.43 2.96 3.72 -1.26 -1.25 117.46 117.80 1qhb n PHE 240 Ca 0.03 0.09 0.09 0.00 -0.05 0.00 0.00 57.45 57.61 1qhb n PHE 240 Cb 0.21 -0.64 0.13 0.00 -0.94 0.00 0.00 39.48 38.23 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 -1.71 0.32 0.00 4.37 3.06 -0.93 -4.61 119.36 119.86 1qhb n ILE 241 Ca 0.03 -0.66 0.00 0.00 -2.50 0.00 0.00 62.75 59.63 1qhb n ILE 241 Cb 0.20 1.10 0.00 0.00 0.54 0.00 0.00 39.64 41.48 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 1.06 0.00 -2.76 9.51 -5.35 -1.00 -4.81 119.36 116.02 1qhb n ILE 242 Ca 0.13 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.37 1qhb n ILE 242 Cb 0.48 -0.42 0.02 0.00 -1.74 0.00 0.00 39.64 37.99 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 -1.43 3.69 0.00 7.28 -7.23 -0.38 -4.34 120.40 117.99 1qhb s VAL 243 Ca 0.00 -0.38 0.00 0.00 -1.81 0.00 0.00 61.98 59.79 1qhb s VAL 243 Cb 0.00 -3.40 0.00 0.00 0.56 0.00 0.00 36.38 33.54 1qhb s VAL 243 CO 0.00 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.08 1qhb n GLY 244 N -2.27 1.08 3.67 2.32 0.00 -0.18 -4.73 105.19 105.08 1qhb n GLY 244 Ca 0.03 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.75 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 3.74 0.61 1.61 1.04 -0.93 -4.87 113.70 113.89 1qhb s SER 245 Ca 0.00 -1.57 -0.19 0.00 0.48 0.00 0.00 55.95 54.67 1qhb s SER 245 Cb 0.00 0.26 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 1qhb s SER 245 CO 0.00 -0.75 1.32 1.17 0.98 0.00 0.00 173.24 175.96 1qhb n LYS 246 N -1.10 1.32 -4.33 4.02 4.81 -1.26 -3.92 118.16 117.70 1qhb n LYS 246 Ca -0.13 0.50 -0.23 0.00 -0.87 0.00 0.00 58.31 57.58 1qhb n LYS 246 Cb 0.67 -2.55 -0.08 0.00 0.02 0.00 0.00 35.03 33.08 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 -3.20 2.12 0.22 1.64 -1.52 -1.26 -4.45 119.66 113.21 1qhb s GLN 247 Ca 0.79 -1.56 -0.32 0.00 -1.95 0.00 0.00 55.36 52.32 1qhb s GLN 247 Cb -0.39 -2.03 -0.12 0.00 -0.22 0.00 0.00 33.01 30.24 1qhb s GLN 247 CO 0.43 0.30 1.67 -0.89 -0.25 0.00 0.00 175.29 176.55 1qhb n ILE 248 N -0.86 0.26 0.00 1.08 2.08 -1.26 -2.13 119.36 118.53 1qhb n ILE 248 Ca -0.05 -0.06 0.00 0.00 0.56 0.00 0.00 62.75 63.19 1qhb n ILE 248 Cb 0.60 -1.91 0.00 0.00 -0.75 0.00 0.00 39.64 37.58 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 3.44 1.94 3.61 7.39 0.00 -1.26 -4.69 105.19 115.62 1qhb n GLY 249 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.89 6.46 0.19 1.61 0.01 -0.90 -3.20 113.70 116.98 1qhb s SER 250 Ca 0.00 0.48 -0.19 0.00 1.31 0.00 0.00 55.95 57.55 1qhb s SER 250 Cb 0.00 -2.30 0.04 0.00 0.21 0.00 0.00 66.02 63.97 1qhb s SER 250 CO 0.00 -0.36 0.56 0.00 0.41 0.00 0.00 173.24 173.85 1qhb s ALA 251 N 2.41 -1.14 -0.21 1.44 0.00 -0.87 -4.88 121.76 118.51 1qhb s ALA 251 Ca 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.13 1qhb s ALA 251 Cb -0.15 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.83 1qhb s ALA 251 CO 0.10 -0.82 -0.12 0.99 0.00 0.00 0.00 175.76 175.91 1qhb s THR 252 N -3.84 2.66 -0.49 0.00 2.01 -1.26 0.13 115.64 114.85 1qhb s THR 252 Ca 0.07 -0.83 0.04 0.00 0.31 0.00 0.00 61.69 61.28 1qhb s THR 252 Cb -0.01 -2.21 0.12 0.00 0.01 0.00 0.00 72.50 70.41 1qhb s THR 252 CO -0.05 0.42 0.22 -0.69 -0.69 0.00 0.00 174.62 173.83 1qhb s VAL 253 N 1.35 2.55 0.00 3.82 1.01 0.21 -4.99 120.40 124.35 1qhb s VAL 253 Ca 0.04 -3.13 0.00 0.00 0.00 0.00 0.00 61.98 58.89 1qhb s VAL 253 Cb -0.14 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1qhb s VAL 253 CO -0.08 -0.76 0.00 0.61 0.00 0.00 0.00 175.10 174.87 1qhb n GLY 254 N 3.34 2.96 0.61 4.51 0.00 -1.26 -2.21 105.19 113.13 1qhb n GLY 254 Ca 0.05 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 8.40 2.05 -4.73 1.61 0.23 -1.26 -4.90 115.26 116.65 1qhb n ASN 255 Ca 0.00 -1.57 -0.36 0.00 -0.53 0.00 0.00 54.58 52.12 1qhb n ASN 255 Cb 0.00 0.13 -0.08 0.00 -2.08 0.00 0.00 39.78 37.75 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 -2.19 4.20 -0.27 -3.83 2.20 -0.94 -5.08 119.74 113.83 1qhb s LYS 256 Ca 0.28 -0.07 -0.12 0.00 -0.36 0.00 0.00 55.97 55.70 1qhb s LYS 256 Cb 0.20 -3.42 -0.05 0.00 -1.51 0.00 0.00 37.83 33.05 1qhb s LYS 256 CO 0.41 0.29 0.23 0.99 -0.36 0.00 0.00 175.35 176.90 1qhb s THR 257 N 0.37 5.28 -0.03 3.43 2.01 -1.26 -0.62 115.64 124.82 1qhb s THR 257 Ca 0.12 0.26 -0.00 0.00 0.31 0.00 0.00 61.69 62.38 1qhb s THR 257 Cb -0.12 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 1qhb s THR 257 CO 0.01 0.24 0.03 -0.76 -0.69 0.00 0.00 174.62 173.45 1qhb s LEU 258 N 1.76 3.69 -0.11 4.42 1.43 0.12 -4.98 118.68 125.00 1qhb s LEU 258 Ca 0.09 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1qhb s LEU 258 Cb -0.16 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 1qhb s LEU 258 CO 0.10 0.31 -0.13 -0.69 0.23 0.00 0.00 176.35 176.17 1qhb s VAL 259 N -1.06 3.11 0.44 -1.59 1.01 -1.24 -2.05 120.40 119.02 1qhb s VAL 259 Ca 0.19 -0.66 -0.24 0.00 0.00 0.00 0.00 61.98 61.28 1qhb s VAL 259 Cb -0.12 -2.29 -0.08 0.00 0.00 0.00 0.00 36.38 33.90 1qhb s VAL 259 CO 0.09 0.54 1.17 -0.55 0.00 0.00 0.00 175.10 176.35 1qhb s SER 260 N 0.10 6.25 0.00 3.32 0.15 -1.19 -4.64 113.70 117.68 1qhb s SER 260 Ca -0.05 2.33 0.18 0.00 0.70 0.00 0.00 55.95 59.10 1qhb s SER 260 Cb -0.15 -2.61 0.83 0.00 -1.71 0.00 0.00 66.02 62.39 1qhb s SER 260 CO 0.04 -0.86 1.56 -2.65 1.20 0.00 0.00 173.24 172.53 1qhb n PRO 261 N -0.34 0.12 -0.37 5.44 -0.02 -1.26 -1.51 135.00 137.05 1qhb n PRO 261 Ca 0.06 0.16 0.07 0.00 -2.02 0.00 0.00 63.50 61.78 1qhb n PRO 261 Cb 0.47 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.66 1qhb n PRO 261 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1qhb n ASN 262 N -1.40 3.01 -0.09 2.55 3.02 -1.26 -4.81 115.26 116.27 1qhb n ASN 262 Ca 0.06 -3.20 0.16 0.00 -0.03 0.00 0.00 54.58 51.57 1qhb n ASN 262 Cb 0.18 -0.52 0.57 0.00 -0.61 0.00 0.00 39.78 39.40 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 0.99 2.23 0.00 5.41 0.00 -1.64 -1.29 119.26 124.96 1qhb h ALA 263 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1qhb h ALA 263 Cb 1.29 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1qhb h ALA 263 CO 0.15 -0.40 -0.01 0.00 0.00 0.00 0.00 179.25 178.99 1qhb h ALA 264 N 1.69 1.27 -0.34 0.00 0.00 -1.87 -2.34 119.26 117.66 1qhb h ALA 264 Ca 0.31 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.31 1qhb h ALA 264 Cb 0.85 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1qhb h ALA 264 CO -0.07 0.02 0.26 -0.44 0.00 0.00 0.00 179.25 179.01 1qhb h ASP 265 N 0.00 0.00 -0.40 0.00 3.32 -1.60 -2.31 116.42 115.44 1qhb h ASP 265 Ca -0.00 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.13 1qhb h ASP 265 Cb 0.05 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.52 1qhb h ASP 265 CO 0.00 0.00 -0.16 -0.08 -1.72 0.00 0.00 179.24 177.28 1qhb h GLU 266 N 0.00 -0.08 -0.12 3.56 4.81 -1.53 -1.27 114.58 119.95 1qhb h GLU 266 Ca 0.16 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1qhb h GLU 266 Cb 0.67 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1qhb h GLU 266 CO -0.00 -0.05 0.00 1.19 -0.73 0.00 0.00 179.01 179.42 1qhb n PHE 267 N -5.35 0.16 -1.16 0.92 3.72 -0.88 -1.01 117.46 113.86 1qhb n PHE 267 Ca 0.02 -0.08 0.09 0.00 -0.05 0.00 0.00 57.45 57.44 1qhb n PHE 267 Cb 0.26 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 38.95 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 -0.17 2.21 -0.23 4.37 2.03 -0.57 -4.38 116.55 119.81 1qhb n ASP 268 Ca 0.07 -3.15 -0.02 0.00 0.52 0.00 0.00 54.79 52.22 1qhb n ASP 268 Cb 0.13 -0.43 -0.00 0.00 -0.72 0.00 0.00 41.12 40.09 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 -1.36 0.30 3.38 0.27 0.00 -1.15 -4.87 105.19 101.76 1qhb n GLY 269 Ca 0.16 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.98 2.93 -0.10 1.61 0.41 -0.64 -0.89 118.70 118.04 1qhb s GLU 270 Ca 0.00 -1.00 -0.23 0.00 -0.41 0.00 0.00 54.97 53.33 1qhb s GLU 270 Cb 0.00 -3.65 -0.03 0.00 -1.78 0.00 0.00 34.13 28.67 1qhb s GLU 270 CO 0.00 -0.62 0.70 0.42 -0.49 0.00 0.00 175.26 175.27 1qhb s ILE 271 N 1.55 5.03 -0.18 -1.63 1.01 0.28 -2.20 121.20 125.06 1qhb s ILE 271 Ca 0.02 1.41 -0.29 0.00 0.00 0.00 0.00 60.65 61.79 1qhb s ILE 271 Cb -0.19 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 1qhb s ILE 271 CO 0.06 0.21 1.41 0.00 0.00 0.00 0.00 174.94 176.62 1qhb s ALA 272 N 1.09 3.52 -0.55 9.38 0.00 -1.26 -1.09 121.76 132.85 1qhb s ALA 272 Ca 0.36 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.81 1qhb s ALA 272 Cb -0.17 -3.72 0.14 0.00 0.00 0.00 0.00 23.12 19.37 1qhb s ALA 272 CO 0.16 -1.48 0.32 -0.47 0.00 0.00 0.00 175.76 174.29 1qhb s TYR 273 N 4.09 3.32 0.00 0.00 5.04 -0.44 -4.87 117.35 124.49 1qhb s TYR 273 Ca 0.61 -2.96 0.00 0.00 -2.44 0.00 0.00 57.07 52.28 1qhb s TYR 273 Cb -0.23 -2.99 0.00 0.00 0.35 0.00 0.00 41.96 39.09 1qhb s TYR 273 CO 0.22 -0.80 0.00 0.41 -1.34 0.00 0.00 175.55 174.04 1qhb n GLY 274 N 3.37 3.28 0.85 8.97 0.00 -1.26 -1.96 105.19 118.43 1qhb n GLY 274 Ca 0.06 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 7.38 3.08 -1.43 1.61 7.64 -1.26 -4.94 113.62 125.69 1qhb n SER 275 Ca 0.00 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 57.96 1qhb n SER 275 Cb 0.00 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 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 0.94 0.00 -4.04 0.44 -5.35 -0.83 -5.12 119.36 105.40 1qhb n ILE 276 Ca 0.15 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.55 1qhb n ILE 276 Cb 0.48 -0.01 -0.10 0.00 -1.74 0.00 0.00 39.64 38.26 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 -0.42 0.17 -0.12 7.28 -4.23 -1.26 -1.32 115.64 115.74 1qhb s THR 277 Ca 0.00 -1.38 -0.01 0.00 -1.18 0.00 0.00 61.69 59.12 1qhb s THR 277 Cb 0.00 -0.92 -0.02 0.00 1.34 0.00 0.00 72.50 72.89 1qhb s THR 277 CO 0.00 -0.76 -0.08 -0.63 -0.54 0.00 0.00 174.62 172.61 1qhb s ILE 278 N -2.75 3.53 -0.14 2.99 1.01 -0.25 -4.88 121.20 120.71 1qhb s ILE 278 Ca -0.04 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 60.00 1qhb s ILE 278 Cb -0.01 -2.49 -0.05 0.00 0.01 0.00 0.00 42.46 39.93 1qhb s ILE 278 CO -0.06 0.54 0.20 -0.55 0.00 0.00 0.00 174.94 175.07 1qhb s SER 279 N -0.01 6.40 0.00 3.58 0.15 -1.26 -0.56 113.70 122.00 1qhb s SER 279 Ca -0.01 0.47 0.31 0.00 0.70 0.00 0.00 55.95 57.42 1qhb s SER 279 Cb -0.14 -2.12 1.60 0.00 -1.71 0.00 0.00 66.02 63.65 1qhb s SER 279 CO 0.03 0.27 2.09 0.00 1.20 0.00 0.00 173.24 176.83 1qhb n GLN 280 N 2.73 0.59 -2.45 5.44 1.13 -0.07 -4.86 117.38 119.88 1qhb n GLN 280 Ca -0.16 -0.02 -0.42 0.00 -1.94 0.00 0.00 57.00 54.46 1qhb n GLN 280 Cb 0.53 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.35 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 -2.43 4.44 0.16 -1.09 0.52 -1.26 -4.59 118.95 114.70 1qhb s ARG 281 Ca 0.33 1.73 0.00 0.00 -0.52 0.00 0.00 55.73 57.28 1qhb s ARG 281 Cb 0.21 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 1qhb s ARG 281 CO 0.44 -0.26 0.33 0.54 0.02 0.00 0.00 175.30 176.37 1qhb s VAL 282 N 1.16 5.27 0.62 3.52 0.11 0.33 -4.67 120.40 126.74 1qhb s VAL 282 Ca 0.58 -0.45 -0.19 0.00 -2.93 0.00 0.00 61.98 58.99 1qhb s VAL 282 Cb -0.28 -3.71 -0.02 0.00 -1.53 0.00 0.00 36.38 30.83 1qhb s VAL 282 CO 0.28 -0.09 1.28 -0.13 -3.33 0.00 0.00 175.10 173.12 1qhb s ARG 283 N -3.13 2.74 -0.40 1.54 1.81 -1.26 -1.73 118.95 118.52 1qhb s ARG 283 Ca 0.37 2.03 -0.09 0.00 -1.72 0.00 0.00 55.73 56.32 1qhb s ARG 283 Cb -0.11 -1.93 0.07 0.00 -0.45 0.00 0.00 34.95 32.53 1qhb s ARG 283 CO 0.28 -1.44 0.23 0.42 -0.68 0.00 0.00 175.30 174.11 1qhb s ILE 284 N -1.42 4.20 0.33 1.52 1.01 -1.26 -4.87 121.20 120.70 1qhb s ILE 284 Ca 0.80 -1.30 -0.28 0.00 0.00 0.00 0.00 60.65 59.87 1qhb s ILE 284 Cb -0.36 -3.52 -0.09 0.00 0.01 0.00 0.00 42.46 38.49 1qhb s ILE 284 CO 0.39 -0.43 1.14 0.00 0.00 0.00 0.00 174.94 176.04 1qhb s ALA 285 N 1.43 3.33 -0.39 9.38 0.00 -1.26 0.08 121.76 134.34 1qhb s ALA 285 Ca 0.02 0.95 -0.44 0.00 0.00 0.00 0.00 51.96 52.49 1qhb s ALA 285 Cb -0.22 -3.35 -0.18 0.00 0.00 0.00 0.00 23.12 19.36 1qhb s ALA 285 CO 0.03 -0.32 1.64 2.41 0.00 0.00 0.00 175.76 179.52 1qhb n THR 286 N 0.74 0.12 -2.00 0.00 -1.04 -0.66 -4.78 114.28 106.66 1qhb n THR 286 Ca 0.01 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.05 61.59 1qhb n THR 286 Cb 0.45 -0.78 -0.01 0.00 -1.82 0.00 0.00 70.33 68.17 1qhb n THR 286 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1qhb s PRO 287 N 3.09 4.15 0.00 -2.82 0.02 -1.26 -2.91 135.00 135.26 1qhb s PRO 287 Ca 1.02 2.31 0.00 0.00 0.02 0.00 0.00 61.00 64.34 1qhb s PRO 287 Cb -1.31 -2.94 0.00 0.00 0.02 0.00 0.00 34.50 30.27 1qhb s PRO 287 CO 0.74 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 177.43 1qhb n GLY 288 N 0.66 1.26 3.49 0.52 0.00 -1.26 -4.99 105.19 104.86 1qhb n GLY 288 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.12 3.29 0.41 1.61 3.52 -1.15 -5.02 118.95 121.49 1qhb s ARG 289 Ca 0.00 -0.78 0.07 0.00 -0.13 0.00 0.00 55.73 54.89 1qhb s ARG 289 Cb 0.00 -3.82 -0.06 0.00 -1.56 0.00 0.00 34.95 29.52 1qhb s ARG 289 CO 0.00 -0.54 0.15 -0.51 -0.81 0.00 0.00 175.30 173.59 1qhb s ASP 290 N 1.69 4.34 0.16 -2.12 1.01 -1.26 -4.95 116.67 115.53 1qhb s ASP 290 Ca 0.05 -1.12 0.03 0.00 0.71 0.00 0.00 52.55 52.22 1qhb s ASP 290 Cb -0.18 -0.47 -0.05 0.00 1.01 0.00 0.00 42.92 43.23 1qhb s ASP 290 CO 0.10 -0.52 -0.04 -0.36 0.21 0.00 0.00 175.17 174.56 1qhb s PHE 291 N -2.61 1.18 -1.35 4.23 0.08 -0.42 -4.83 117.98 114.26 1qhb s PHE 291 Ca 0.40 -0.92 -0.08 0.00 0.12 0.00 0.00 56.93 56.45 1qhb s PHE 291 Cb 0.05 -0.66 0.01 0.00 -0.57 0.00 0.00 43.02 41.85 1qhb s PHE 291 CO 0.22 -0.11 1.15 -1.33 -0.10 0.00 0.00 175.22 175.05 1qhb n MET 292 N -0.20 -7.71 0.00 0.44 2.81 -1.26 -0.66 117.12 110.54 1qhb n MET 292 Ca -0.09 0.82 0.11 0.00 -1.81 0.00 0.00 57.70 56.74 1qhb n MET 292 Cb 0.62 -5.86 0.07 0.00 -0.71 0.00 0.00 33.22 27.34 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 -4.89 0.00 -4.52 2.03 -2.24 -1.26 -4.72 114.28 98.68 1qhb n THR 293 Ca -0.03 -0.44 -0.34 0.00 -2.27 0.00 0.00 64.05 60.97 1qhb n THR 293 Cb 0.57 1.42 -0.12 0.00 -2.10 0.00 0.00 70.33 70.11 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 -2.02 4.68 0.18 3.42 2.15 -1.26 -4.80 116.67 119.01 1qhb s ASP 294 Ca 0.25 -0.10 -0.14 0.00 0.43 0.00 0.00 52.55 52.98 1qhb s ASP 294 Cb 0.19 -1.53 0.15 0.00 -0.30 0.00 0.00 42.92 41.42 1qhb s ASP 294 CO 0.35 0.25 1.70 0.25 -0.17 0.00 0.00 175.17 177.55 1qhb h LEU 295 N 6.10 -0.11 -0.80 -1.34 5.85 -1.94 0.59 115.31 123.67 1qhb h LEU 295 Ca -0.38 0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.34 1qhb h LEU 295 Cb 1.19 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 1qhb h LEU 295 CO 0.58 -0.02 -0.16 0.11 -0.34 0.00 0.00 178.44 178.60 1qhb h LYS 296 N 0.15 0.73 -0.44 1.25 1.57 -1.96 -0.32 116.57 117.56 1qhb h LYS 296 Ca 0.22 -0.26 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 1qhb h LYS 296 Cb 0.31 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1qhb h LYS 296 CO -0.34 0.85 -0.24 0.28 -0.57 0.00 0.00 179.45 179.43 1qhb h VAL 297 N 0.66 1.27 -0.81 0.50 2.07 -1.85 -1.36 116.25 116.72 1qhb h VAL 297 Ca 0.10 -1.40 0.05 0.00 0.82 0.00 0.00 66.70 66.27 1qhb h VAL 297 Cb 0.64 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1qhb h VAL 297 CO 0.04 0.48 0.51 0.15 0.02 0.00 0.00 177.57 178.77 1qhb h PHE 298 N 0.76 0.95 -0.21 1.57 3.57 -0.65 -0.82 116.94 122.12 1qhb h PHE 298 Ca 0.09 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.48 1qhb h PHE 298 Cb 0.82 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1qhb h PHE 298 CO 0.06 0.51 -0.45 -0.07 -2.23 0.00 0.00 178.31 176.13 1qhb h LEU 299 N 0.96 0.56 -0.63 0.59 3.38 -0.89 -0.42 115.31 118.86 1qhb h LEU 299 Ca 0.34 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1qhb h LEU 299 Cb 0.09 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1qhb h LEU 299 CO -0.14 0.93 0.32 0.44 0.09 0.00 0.00 178.44 180.07 1qhb h ASP 300 N 0.42 0.80 -0.68 -0.43 3.32 -0.66 0.86 116.42 120.05 1qhb h ASP 300 Ca 0.03 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 1qhb h ASP 300 Cb 0.95 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 1qhb h ASP 300 CO 0.08 0.69 0.16 0.58 -1.72 0.00 0.00 179.24 179.04 1qhb h VAL 301 N 0.86 1.26 0.00 -1.35 2.07 -0.66 0.67 116.25 119.10 1qhb h VAL 301 Ca 0.22 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1qhb h VAL 301 Cb 0.09 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1qhb h VAL 301 CO -0.03 0.37 -0.12 1.56 0.02 0.00 0.00 177.57 179.37 1qhb h GLN 302 N 1.02 0.00 -0.79 1.57 1.08 -0.38 -0.23 115.11 117.39 1qhb h GLN 302 Ca 0.21 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 1qhb h GLN 302 Cb 0.38 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 1qhb h GLN 302 CO 0.00 0.12 0.02 -0.25 -0.95 0.00 0.00 178.83 177.77 1qhb n ASP 303 N -4.27 3.48 0.00 1.46 8.00 0.23 0.11 116.55 125.56 1qhb n ASP 303 Ca -0.03 -2.51 0.00 0.00 0.71 0.00 0.00 54.79 52.97 1qhb n ASP 303 Cb 0.19 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 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 0.29 0.00 -1.71 2.24 0.00 -0.10 -3.99 120.51 117.25 1qhb n ALA 304 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.16 1qhb n ALA 304 Cb 0.77 -0.05 -0.03 0.00 0.00 0.00 0.00 19.45 20.13 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 0.52 2.38 -2.86 0.00 0.00 0.18 -2.02 120.51 118.70 1qhb n ALA 305 Ca 0.00 0.41 -0.43 0.00 0.00 0.00 0.00 53.44 53.42 1qhb n ALA 305 Cb 0.00 -2.47 -0.03 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 1.03 6.45 0.00 0.00 -1.08 -0.38 -4.70 116.67 118.00 1qhb s ASP 306 Ca 0.75 -1.60 0.16 0.00 -0.52 0.00 0.00 52.55 51.34 1qhb s ASP 306 Cb -0.56 -2.43 0.46 0.00 -1.46 0.00 0.00 42.92 38.94 1qhb s ASP 306 CO 0.35 -1.25 1.38 0.49 0.52 0.00 0.00 175.17 176.67 1qhb n PHE 307 N 7.22 0.58 -1.71 -5.34 3.72 -1.26 -4.79 117.46 115.87 1qhb n PHE 307 Ca 0.15 -0.29 -0.43 0.00 -0.05 0.00 0.00 57.45 56.83 1qhb n PHE 307 Cb 0.48 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.00 1qhb n PHE 307 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1qhb n ARG 308 N 0.87 2.46 -0.32 -1.08 1.74 -1.26 -2.67 116.66 116.40 1qhb n ARG 308 Ca 0.16 0.88 0.00 0.00 -0.77 0.00 0.00 57.85 58.12 1qhb n ARG 308 Cb 0.41 -2.63 0.00 0.00 -1.02 0.00 0.00 32.46 29.22 1qhb n ARG 308 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qhb n GLY 309 N 2.44 0.75 0.03 -0.13 0.00 -1.26 -4.97 105.19 102.05 1qhb n GLY 309 Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.16 0.00 -1.52 1.61 7.35 -1.09 -4.94 117.46 116.72 1qhb n PHE 310 Ca 0.00 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.36 1qhb n PHE 310 Cb 0.00 -0.32 0.07 0.00 0.35 0.00 0.00 39.48 39.58 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 -2.74 2.43 0.12 -4.13 8.01 -1.26 -5.01 118.70 116.12 1qhb s GLU 311 Ca 0.22 1.44 0.10 0.00 0.01 0.00 0.00 54.97 56.73 1qhb s GLU 311 Cb 0.19 -1.90 -0.04 0.00 -4.31 0.00 0.00 34.13 28.07 1qhb s GLU 311 CO 0.52 -1.55 -0.22 -1.54 0.01 0.00 0.00 175.26 172.48 1qhb s SER 312 N -2.63 3.62 0.22 -0.19 1.04 -1.26 -5.07 113.70 109.42 1qhb s SER 312 Ca 0.67 -0.65 0.06 0.00 0.48 0.00 0.00 55.95 56.52 1qhb s SER 312 Cb -0.22 -0.39 -0.05 0.00 0.10 0.00 0.00 66.02 65.46 1qhb s SER 312 CO 0.46 0.18 -0.08 -0.31 0.98 0.00 0.00 173.24 174.47 1qhb s TYR 313 N -1.10 1.67 0.31 5.02 1.51 -1.26 -1.65 117.35 121.86 1qhb s TYR 313 Ca 0.16 -0.71 -0.00 0.00 -1.01 0.00 0.00 57.07 55.51 1qhb s TYR 313 Cb -0.10 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 40.83 1qhb s TYR 313 CO 0.08 0.21 0.52 -1.21 -1.11 0.00 0.00 175.55 174.04 1qhb s GLU 314 N -3.73 3.50 0.68 -0.62 0.41 0.11 -4.78 118.70 114.27 1qhb s GLU 314 Ca 0.25 -0.32 -0.16 0.00 -0.41 0.00 0.00 54.97 54.33 1qhb s GLU 314 Cb 0.02 -2.70 0.01 0.00 -1.78 0.00 0.00 34.13 29.69 1qhb s GLU 314 CO 0.08 0.21 1.19 -2.14 -0.49 0.00 0.00 175.26 174.10 1qhb s PRO 315 N -4.08 2.49 1.86 0.39 0.02 -1.26 -4.39 135.00 130.04 1qhb s PRO 315 Ca 0.40 1.72 0.00 0.00 0.02 0.00 0.00 61.00 63.13 1qhb s PRO 315 Cb -0.10 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.54 1qhb s PRO 315 CO 0.34 -1.55 0.00 0.41 -0.33 0.00 0.00 177.00 175.87 1qhb n GLY 316 N 0.27 -1.01 3.47 0.52 0.00 -1.26 -4.90 105.19 102.28 1qhb n GLY 316 Ca 0.13 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.24 -1.71 0.11 4.61 0.00 -1.26 -4.38 121.76 117.89 1qhb s ALA 317 Ca 0.00 0.88 -0.10 0.00 0.00 0.00 0.00 51.96 52.74 1qhb s ALA 317 Cb 0.00 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.58 1qhb s ALA 317 CO 0.00 -0.61 0.25 -0.98 0.00 0.00 0.00 175.76 174.42 1qhb s ARG 318 N -2.76 0.96 0.51 0.00 1.70 -0.70 -4.83 118.95 113.81 1qhb s ARG 318 Ca -0.02 -0.95 -0.23 0.00 -0.47 0.00 0.00 55.73 54.06 1qhb s ARG 318 Cb -0.01 0.38 -0.07 0.00 -0.57 0.00 0.00 34.95 34.68 1qhb s ARG 318 CO -0.05 -0.33 1.29 1.28 -1.08 0.00 0.00 175.30 176.41 1qhb n LEU 319 N -0.13 4.82 -4.64 -1.89 4.77 -1.26 -0.51 117.00 118.16 1qhb n LEU 319 Ca -0.14 1.01 -0.54 0.00 -0.03 0.00 0.00 56.01 56.32 1qhb n LEU 319 Cb 0.63 -1.53 -0.06 0.00 -2.33 0.00 0.00 43.42 40.12 1qhb n LEU 319 CO 0.22 -0.71 1.07 -0.38 -1.33 0.00 0.00 177.39 176.25 1qhb n ILE 320 N -0.79 0.12 0.00 -0.08 5.41 -1.26 -4.85 119.36 117.91 1qhb n ILE 320 Ca 0.09 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.82 1qhb n ILE 320 Cb 0.43 -1.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.36 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 3.62 0.00 -4.05 0.38 0.63 -1.26 -4.88 116.66 111.10 1qhb n ARG 321 Ca 0.21 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.91 1qhb n ARG 321 Cb 0.18 -0.58 -0.06 0.00 0.45 0.00 0.00 32.46 32.45 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 -1.98 3.11 0.35 5.15 -4.23 -1.26 -1.20 115.64 115.58 1qhb s THR 322 Ca 0.00 -1.64 0.10 0.00 -1.18 0.00 0.00 61.69 58.97 1qhb s THR 322 Cb 0.00 -3.02 0.33 0.00 1.34 0.00 0.00 72.50 71.15 1qhb s THR 322 CO 0.00 -0.18 1.84 0.40 -0.54 0.00 0.00 174.62 176.14 1qhb h ILE 323 N 1.49 0.76 -0.61 2.99 2.04 -1.40 -1.40 117.51 121.39 1qhb h ILE 323 Ca -0.44 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 1qhb h ILE 323 Cb 1.25 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1qhb h ILE 323 CO 0.62 0.12 0.25 -0.09 0.00 0.00 0.00 178.15 179.06 1qhb h ARG 324 N 0.66 0.91 -0.61 2.37 2.43 -1.27 -1.79 114.38 117.08 1qhb h ARG 324 Ca 0.50 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1qhb h ARG 324 Cb 0.88 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 1qhb h ARG 324 CO -0.25 0.76 0.36 -0.44 -1.51 0.00 0.00 179.97 178.89 1qhb h ASP 325 N 0.85 0.72 -0.48 -3.80 3.32 -1.54 0.15 116.42 115.64 1qhb h ASP 325 Ca 0.20 -0.04 -0.13 0.00 0.02 0.00 0.00 57.03 57.09 1qhb h ASP 325 Cb 0.19 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1qhb h ASP 325 CO -0.02 0.56 -0.19 0.25 -1.72 0.00 0.00 179.24 178.12 1qhb h LEU 326 N 0.83 1.01 -0.43 1.55 5.85 -1.21 -1.00 115.31 121.91 1qhb h LEU 326 Ca 0.22 -0.37 0.03 0.00 0.84 0.00 0.00 57.88 58.60 1qhb h LEU 326 Cb -0.02 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 1qhb h LEU 326 CO -0.04 1.17 0.22 0.00 -0.34 0.00 0.00 178.44 179.45 1qhb h ALA 327 N 0.90 0.54 -0.83 1.25 0.00 -0.72 -2.13 119.26 118.27 1qhb h ALA 327 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1qhb h ALA 327 Cb 0.77 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1qhb h ALA 327 CO 0.06 -0.13 0.52 1.15 0.00 0.00 0.00 179.25 180.85 1qhb h THR 328 N 0.44 1.22 -0.63 0.00 2.02 -0.57 -2.10 112.91 113.29 1qhb h THR 328 Ca 0.18 -0.45 0.08 0.00 0.77 0.00 0.00 66.41 66.99 1qhb h THR 328 Cb 0.08 0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 66.47 1qhb h THR 328 CO -0.12 0.23 0.30 -0.25 0.37 0.00 0.00 175.52 176.04 1qhb h TRP 329 N 1.13 0.53 -0.30 3.16 7.01 -0.55 -2.54 115.95 124.38 1qhb h TRP 329 Ca 0.30 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.33 1qhb h TRP 329 Cb -0.08 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 26.83 1qhb h TRP 329 CO -0.01 0.20 0.00 1.33 -2.79 0.00 0.00 178.44 177.17 1qhb n VAL 330 N -4.90 0.40 0.13 2.65 0.24 -0.91 -2.83 118.33 113.13 1qhb n VAL 330 Ca 0.09 -0.41 -0.24 0.00 -2.04 0.00 0.00 64.34 61.73 1qhb n VAL 330 Cb 0.23 0.22 -0.15 0.00 -1.47 0.00 0.00 33.84 32.67 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 1.85 1.01 0.00 6.34 6.17 -0.95 -3.39 115.15 126.17 1qhb h HIS 331 Ca 0.00 -0.70 0.00 0.00 0.71 0.00 0.00 60.37 60.38 1qhb h HIS 331 Cb 0.42 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 30.30 1qhb h HIS 331 CO 0.20 1.54 0.00 1.19 0.71 0.00 0.00 177.93 181.57 1qhb n PHE 332 N -3.74 0.00 -1.70 5.26 3.72 -1.24 -5.07 117.46 114.70 1qhb n PHE 332 Ca -0.16 -0.14 -0.40 0.00 -0.05 0.00 0.00 57.45 56.69 1qhb n PHE 332 Cb 1.07 -0.01 0.02 0.00 -0.94 0.00 0.00 39.48 39.62 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 2.35 -4.74 4.37 5.75 -1.13 -4.95 116.55 118.07 1qhb n ASP 333 Ca 0.00 1.05 -0.35 0.00 -0.01 0.00 0.00 54.79 55.48 1qhb n ASP 333 Cb 0.15 -1.50 0.07 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 -0.67 4.65 0.42 -1.12 1.04 -1.26 -4.90 113.70 111.86 1qhb s SER 334 Ca 0.64 2.41 0.15 0.00 0.48 0.00 0.00 55.95 59.63 1qhb s SER 334 Cb -0.48 -2.60 0.92 0.00 0.10 0.00 0.00 66.02 63.96 1qhb s SER 334 CO 0.55 -1.96 1.93 -0.07 0.98 0.00 0.00 173.24 174.67 1qhb h LEU 335 N 0.29 0.00 -2.16 2.42 4.07 -1.99 -2.14 115.31 115.80 1qhb h LEU 335 Ca -0.49 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.47 1qhb h LEU 335 Cb 1.30 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.04 1qhb h LEU 335 CO 0.52 0.26 0.00 0.00 -1.08 0.00 0.00 178.44 178.14 1qhb n TYR 336 N -4.16 0.62 -0.19 1.13 0.18 -1.26 -4.65 117.16 108.83 1qhb n TYR 336 Ca -0.02 -0.31 -0.06 0.00 1.88 0.00 0.00 57.90 59.39 1qhb n TYR 336 Cb 0.32 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.28 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 3.82 -0.17 -0.77 -3.48 4.81 -1.75 -0.81 114.58 116.24 1qhb h GLU 337 Ca 0.00 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1qhb h GLU 337 Cb 0.86 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.23 1qhb h GLU 337 CO 0.00 -0.11 0.51 0.00 -0.73 0.00 0.00 179.01 178.67 1qhb h ALA 338 N 0.95 1.52 0.04 2.92 0.00 -1.82 -1.46 119.26 121.40 1qhb h ALA 338 Ca 0.22 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.83 1qhb h ALA 338 Cb 0.55 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1qhb h ALA 338 CO -0.65 0.41 -1.31 1.88 0.00 0.00 0.00 179.25 179.58 1qhb h TYR 339 N 0.97 0.14 -0.35 0.00 0.05 -1.77 -1.88 116.97 114.13 1qhb h TYR 339 Ca 0.30 -0.10 -0.16 0.00 0.05 0.00 0.00 58.73 58.82 1qhb h TYR 339 Cb 0.00 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1qhb h TYR 339 CO -0.00 1.11 -0.41 1.25 -1.05 0.00 0.00 178.16 179.05 1qhb h LEU 340 N 0.02 0.92 -0.69 3.88 5.85 -0.91 -0.16 115.31 124.21 1qhb h LEU 340 Ca -0.14 -0.43 -0.12 0.00 0.84 0.00 0.00 57.88 58.04 1qhb h LEU 340 Cb 1.90 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 1qhb h LEU 340 CO 0.13 1.21 -0.24 0.78 -0.34 0.00 0.00 178.44 179.98 1qhb h ASN 341 N 0.70 0.77 -0.40 1.25 -0.26 -1.26 -0.85 115.58 115.52 1qhb h ASN 341 Ca 0.05 -0.28 -0.02 0.00 -0.56 0.00 0.00 56.30 55.49 1qhb h ASN 341 Cb 0.99 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 38.02 1qhb h ASN 341 CO 0.10 0.98 0.16 0.00 -1.06 0.00 0.00 177.43 177.61 1qhb h ALA 342 N 1.07 0.52 -0.73 -0.83 0.00 -1.17 -2.41 119.26 115.71 1qhb h ALA 342 Ca 0.09 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1qhb h ALA 342 Cb 0.75 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1qhb h ALA 342 CO 0.06 0.13 0.43 0.00 0.00 0.00 0.00 179.25 179.87 1qhb h LEU 344 N 0.81 0.78 -0.27 0.00 3.38 -0.95 0.12 115.31 119.17 1qhb h LEU 344 Ca 0.31 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1qhb h LEU 344 Cb 0.13 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1qhb h LEU 344 CO -0.16 0.73 0.09 0.40 0.09 0.00 0.00 178.44 179.59 1qhb h ILE 345 N 0.82 1.20 -0.66 1.22 2.04 -0.90 -0.85 117.51 120.37 1qhb h ILE 345 Ca 0.19 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 1qhb h ILE 345 Cb 0.24 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1qhb h ILE 345 CO -0.01 0.20 0.31 -0.07 0.00 0.00 0.00 178.15 178.58 1qhb h LEU 346 N 0.27 0.88 -0.21 1.44 3.38 -0.86 0.17 115.31 120.38 1qhb h LEU 346 Ca 0.09 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1qhb h LEU 346 Cb 0.23 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1qhb h LEU 346 CO -0.00 0.77 -0.05 -0.07 0.09 0.00 0.00 178.44 179.18 1qhb h LEU 347 N 0.92 0.40 -1.09 1.67 3.38 -0.81 -2.13 115.31 117.65 1qhb h LEU 347 Ca 0.23 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1qhb h LEU 347 Cb 0.14 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1qhb h LEU 347 CO -0.03 0.67 0.02 0.00 0.09 0.00 0.00 178.44 179.19 1qhb h ALA 348 N 0.74 1.26 0.00 1.53 0.00 -0.95 -2.39 119.26 119.44 1qhb h ALA 348 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1qhb h ALA 348 Cb 0.49 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1qhb h ALA 348 CO 0.02 0.50 0.00 0.09 0.00 0.00 0.00 179.25 179.86 1qhb n ASN 349 N -4.25 0.00 -0.03 0.00 4.13 0.56 -4.53 115.26 111.14 1qhb n ASN 349 Ca 0.02 0.08 -0.00 0.00 1.68 0.00 0.00 54.58 56.36 1qhb n ASN 349 Cb 0.26 -0.35 -0.00 0.00 -1.54 0.00 0.00 39.78 38.15 1qhb n ASN 349 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1qhb n GLY 350 N 1.07 0.42 3.74 7.41 0.00 -0.85 -5.00 105.19 111.99 1qhb n GLY 350 Ca 0.11 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1qhb n GLY 350 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qhb s VAL 351 N -2.01 2.14 0.60 1.61 1.01 -0.91 -4.94 120.40 117.89 1qhb s VAL 351 Ca 0.00 0.11 -0.18 0.00 0.00 0.00 0.00 61.98 61.91 1qhb s VAL 351 Cb 0.00 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1qhb s VAL 351 CO 0.00 0.02 1.16 -2.84 0.00 0.00 0.00 175.10 173.43 1qhb s PRO 352 N -0.21 3.02 0.80 2.72 0.02 -1.26 -4.86 135.00 135.23 1qhb s PRO 352 Ca 0.65 1.65 -0.12 0.00 0.02 0.00 0.00 61.00 63.20 1qhb s PRO 352 Cb -0.47 -1.96 0.07 0.00 0.02 0.00 0.00 34.50 32.16 1qhb s PRO 352 CO 0.45 -1.12 1.10 -0.06 -0.33 0.00 0.00 177.00 177.04 1qhb s PHE 353 N -1.85 2.83 -0.08 6.54 0.08 -1.26 -0.86 117.98 123.37 1qhb s PHE 353 Ca 0.73 1.13 -0.37 0.00 0.12 0.00 0.00 56.93 58.54 1qhb s PHE 353 Cb -0.26 -3.14 -0.15 0.00 -0.57 0.00 0.00 43.02 38.91 1qhb s PHE 353 CO 0.33 -1.79 1.67 -3.47 -0.10 0.00 0.00 175.22 171.87 1qhb n ASP 354 N -3.44 2.63 0.07 1.36 -0.08 0.03 -3.78 116.55 113.34 1qhb n ASP 354 Ca 0.07 1.06 0.08 0.00 -1.51 0.00 0.00 54.79 54.49 1qhb n ASP 354 Cb 0.56 -1.26 0.37 0.00 2.34 0.00 0.00 41.12 43.13 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 4.81 0.09 0.00 -0.67 -0.04 -1.26 -2.08 135.00 135.84 1qhb n PRO 355 Ca 0.22 0.39 0.15 0.00 -0.04 0.00 0.00 63.50 64.22 1qhb n PRO 355 Cb 0.21 -1.69 0.74 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.86 0.25 -4.85 3.54 3.02 -1.26 -4.84 115.26 109.26 1qhb n ASN 356 Ca 0.02 -0.58 -0.31 0.00 -0.03 0.00 0.00 54.58 53.68 1qhb n ASN 356 Cb 0.15 -0.12 0.01 0.00 -0.61 0.00 0.00 39.78 39.20 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 -2.37 3.32 0.63 3.41 1.43 -0.88 -3.34 118.68 120.88 1qhb s LEU 357 Ca 0.34 1.51 -0.15 0.00 -1.03 0.00 0.00 54.13 54.80 1qhb s LEU 357 Cb 0.21 -4.49 -0.01 0.00 0.03 0.00 0.00 46.19 41.92 1qhb s LEU 357 CO 0.44 -0.92 1.10 -2.16 0.23 0.00 0.00 176.35 175.03 1qhb s PRO 358 N -4.84 2.98 -1.48 1.29 0.05 -1.26 -4.04 135.00 127.71 1qhb s PRO 358 Ca 0.57 1.35 -0.12 0.00 0.05 0.00 0.00 61.00 62.84 1qhb s PRO 358 Cb -0.12 -1.98 0.06 0.00 0.05 0.00 0.00 34.50 32.52 1qhb s PRO 358 CO 0.48 -1.10 1.00 1.19 0.05 0.00 0.00 177.00 178.63 1qhb n PHE 359 N -2.24 -2.42 1.23 0.56 3.72 -1.26 -4.90 117.46 112.14 1qhb n PHE 359 Ca 0.10 0.90 0.13 0.00 -0.05 0.00 0.00 57.45 58.53 1qhb n PHE 359 Cb 0.52 -4.23 0.31 0.00 -0.94 0.00 0.00 39.48 35.14 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 -4.71 1.24 -1.12 -1.08 1.13 -1.26 -4.72 117.38 106.87 1qhb n GLN 360 Ca 0.03 -0.84 -0.22 0.00 -1.94 0.00 0.00 57.00 54.03 1qhb n GLN 360 Cb 0.54 -1.48 0.17 0.00 0.11 0.00 0.00 30.24 29.57 1qhb n GLN 360 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1qhb n GLN 361 N -0.15 -1.67 -2.08 -1.09 6.02 -1.26 -4.99 117.38 112.17 1qhb n GLN 361 Ca 0.13 -1.41 -0.36 0.00 -0.01 0.00 0.00 57.00 55.35 1qhb n GLN 361 Cb 0.40 -1.09 0.02 0.00 1.02 0.00 0.00 30.24 30.59 1qhb n GLN 361 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1qhb s GLU 362 N -5.00 3.13 0.49 -1.09 2.02 -1.26 -4.86 118.70 112.14 1qhb s GLU 362 Ca 0.54 1.79 0.17 0.00 0.02 0.00 0.00 54.97 57.49 1qhb s GLU 362 Cb -0.03 -1.99 1.21 0.00 0.10 0.00 0.00 34.13 33.41 1qhb s GLU 362 CO 0.39 -1.07 2.05 -0.44 0.02 0.00 0.00 175.26 176.21 1qhb h ASP 363 N 1.07 0.14 0.39 -0.19 3.32 -1.94 -0.45 116.42 118.77 1qhb h ASP 363 Ca -0.50 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.51 1qhb h ASP 363 Cb 1.29 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 1qhb h ASP 363 CO 0.56 0.09 -0.16 0.07 -1.72 0.00 0.00 179.24 178.08 1qhb h LYS 364 N 0.16 0.00 0.06 3.56 2.10 -1.98 0.92 116.57 121.39 1qhb h LYS 364 Ca 0.16 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.51 1qhb h LYS 364 Cb 0.45 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.75 1qhb h LYS 364 CO -0.02 0.16 -1.67 -0.07 -2.00 0.00 0.00 179.45 175.85 1qhb h LEU 365 N 0.00 0.21 -1.52 7.07 3.38 -1.44 -3.41 115.31 119.59 1qhb h LEU 365 Ca -0.00 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1qhb h LEU 365 Cb 0.41 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1qhb h LEU 365 CO 0.02 1.33 0.00 -0.90 0.09 0.00 0.00 178.44 178.98 1qhb n ASP 366 N -3.28 1.17 -2.79 -0.43 5.68 -1.07 -5.03 116.55 110.80 1qhb n ASP 366 Ca -0.19 -1.30 -0.15 0.00 -0.50 0.00 0.00 54.79 52.64 1qhb n ASP 366 Cb 1.04 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 41.02 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 -0.15 -3.55 -3.41 -1.12 3.02 0.32 -4.93 115.26 105.44 1qhb n ASN 367 Ca 0.00 0.01 -0.10 0.00 -0.03 0.00 0.00 54.58 54.46 1qhb n ASN 367 Cb 0.12 -3.00 -0.09 0.00 -0.61 0.00 0.00 39.78 36.21 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 -5.39 0.33 0.70 3.52 2.00 -1.26 -5.09 119.66 114.46 1qhb s GLN 368 Ca 0.15 0.58 -0.06 0.00 -2.00 0.00 0.00 55.36 54.03 1qhb s GLN 368 Cb -0.08 -0.41 0.06 0.00 0.80 0.00 0.00 33.01 33.38 1qhb s GLN 368 CO 0.18 -0.58 1.00 0.34 -0.50 0.00 0.00 175.29 175.73 1qhb s ASP 369 N 2.54 4.83 0.05 6.67 -1.08 -1.26 -4.84 116.67 123.58 1qhb s ASP 369 Ca 0.10 0.41 0.08 0.00 -0.52 0.00 0.00 52.55 52.63 1qhb s ASP 369 Cb -0.15 -1.07 -0.03 0.00 -1.46 0.00 0.00 42.92 40.21 1qhb s ASP 369 CO -0.15 -1.58 -0.24 0.68 0.52 0.00 0.00 175.17 174.41 1qhb s VAL 370 N -3.22 1.91 0.00 1.11 -7.23 -1.26 -5.02 120.40 106.69 1qhb s VAL 370 Ca 0.60 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 59.43 1qhb s VAL 370 Cb -0.11 -1.65 0.00 0.00 0.56 0.00 0.00 36.38 35.18 1qhb s VAL 370 CO 0.44 0.25 0.00 0.33 -0.31 0.00 0.00 175.10 175.81 1qhb n PHE 371 N 1.71 -0.68 0.23 2.82 7.35 -1.26 -4.43 117.46 123.20 1qhb n PHE 371 Ca -0.17 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.36 1qhb n PHE 371 Cb 0.53 0.15 -0.08 0.00 0.35 0.00 0.00 39.48 40.42 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 0.00 -3.16 -2.13 2.07 -1.94 -2.85 116.25 108.24 1qhb h VAL 372 Ca 0.00 0.00 -0.67 0.00 0.82 0.00 0.00 66.70 66.85 1qhb h VAL 372 Cb 0.00 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.64 1qhb h VAL 372 CO 0.00 0.00 -0.59 0.20 0.02 0.00 0.00 177.57 177.20 1qhb s ASN 373 N -4.08 5.52 0.00 0.57 0.01 -1.26 -3.20 114.94 112.50 1qhb s ASN 373 Ca -0.15 0.21 0.00 0.00 -0.71 0.00 0.00 52.86 52.21 1qhb s ASN 373 Cb 0.04 -1.66 0.00 0.00 0.41 0.00 0.00 41.25 40.04 1qhb s ASN 373 CO 0.51 0.36 0.00 0.49 -1.51 0.00 0.00 177.10 176.95 1qhb n PHE 374 N 2.27 0.00 -3.28 2.20 3.72 -1.26 -4.80 117.46 116.30 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 -1.38 0.00 0.00 -0.94 0.00 0.00 39.48 37.69 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 -0.35 6.56 0.29 1.37 0.00 -1.13 -4.74 105.19 107.20 1qhb n GLY 375 Ca 0.00 -2.00 -0.05 0.00 0.00 0.00 0.00 46.02 43.97 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 0.89 -0.31 1.61 4.64 -1.77 -2.45 113.55 116.17 1qhb h SER 376 Ca 0.00 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.21 1qhb h SER 376 Cb 0.00 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.84 1qhb h SER 376 CO 0.00 0.71 0.11 0.00 -0.87 0.00 0.00 176.83 176.78 1qhb h ALA 377 N 1.21 1.48 0.56 5.18 0.00 -1.80 -1.21 119.26 124.69 1qhb h ALA 377 Ca 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1qhb h ALA 377 Cb 0.01 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1qhb h ALA 377 CO -0.04 0.39 -0.27 1.25 0.00 0.00 0.00 179.25 180.57 1qhb h HIS 378 N 0.54 -0.69 -0.19 0.00 6.17 -1.27 -1.85 115.15 117.87 1qhb h HIS 378 Ca 0.13 -0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.16 1qhb h HIS 378 Cb 0.18 0.23 -0.01 0.00 2.52 0.00 0.00 27.41 30.33 1qhb h HIS 378 CO 0.01 -0.36 -0.03 -0.24 0.71 0.00 0.00 177.93 178.01 1qhb h VAL 379 N -0.97 1.14 -0.22 5.26 3.04 -1.41 -1.47 116.25 121.63 1qhb h VAL 379 Ca -0.08 -0.57 -0.11 0.00 -1.01 0.00 0.00 66.70 64.93 1qhb h VAL 379 Cb 0.64 1.04 -0.01 0.00 -2.01 0.00 0.00 31.29 30.95 1qhb h VAL 379 CO 0.13 0.19 -0.35 -0.07 -1.01 0.00 0.00 177.57 176.45 1qhb h LEU 380 N 0.27 0.49 0.19 3.16 3.38 -1.10 -1.31 115.31 120.39 1qhb h LEU 380 Ca 0.06 -0.20 -0.31 0.00 0.09 0.00 0.00 57.88 57.52 1qhb h LEU 380 Cb 0.24 -0.14 0.02 0.00 0.09 0.00 0.00 40.66 40.88 1qhb h LEU 380 CO 0.01 0.81 -1.41 0.28 0.09 0.00 0.00 178.44 178.21 1qhb h SER 381 N 0.40 0.64 -0.40 -0.43 0.02 -1.05 -3.35 113.55 109.38 1qhb h SER 381 Ca 0.04 -0.71 -0.08 0.00 -0.84 0.00 0.00 61.79 60.21 1qhb h SER 381 Cb 0.81 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1qhb h SER 381 CO 0.07 1.56 -0.02 0.25 -1.14 0.00 0.00 176.83 177.55 1qhb h LEU 382 N 0.11 0.77 -1.15 5.07 5.85 -1.22 -0.75 115.31 123.99 1qhb h LEU 382 Ca -0.22 -0.19 -0.09 0.00 0.84 0.00 0.00 57.88 58.22 1qhb h LEU 382 Cb 2.08 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.89 1qhb h LEU 382 CO 0.23 0.85 -0.39 1.62 -0.34 0.00 0.00 178.44 180.41 1qhb h VAL 383 N 0.74 1.29 0.03 1.05 3.04 -1.37 -3.05 116.25 117.98 1qhb h VAL 383 Ca 0.14 -1.39 -0.30 0.00 -1.01 0.00 0.00 66.70 64.15 1qhb h VAL 383 Cb 0.48 1.71 -0.04 0.00 -2.01 0.00 0.00 31.29 31.43 1qhb h VAL 383 CO 0.02 0.40 -1.70 0.71 -1.01 0.00 0.00 177.57 176.00 1qhb h THR 384 N 0.05 0.89 0.00 3.17 1.35 -1.64 -3.39 112.91 113.33 1qhb h THR 384 Ca 0.00 -2.70 -0.07 0.00 -0.55 0.00 0.00 66.41 63.10 1qhb h THR 384 Cb 0.72 2.48 -0.01 0.00 -1.73 0.00 0.00 68.15 69.61 1qhb h THR 384 CO 0.05 0.60 -0.31 1.05 -0.25 0.00 0.00 175.52 176.66 1qhb h GLU 385 N 0.02 0.00 0.00 4.72 4.11 -1.03 -2.64 114.58 119.75 1qhb h GLU 385 Ca -0.29 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.14 1qhb h GLU 385 Cb 2.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.25 1qhb h GLU 385 CO 0.09 0.31 -0.04 -0.39 0.07 0.00 0.00 179.01 179.06 1qhb h VAL 386 N 0.00 0.09 -0.57 -1.06 -1.51 -1.73 -3.33 116.25 108.14 1qhb h VAL 386 Ca -0.00 -0.67 0.06 0.00 -1.23 0.00 0.00 66.70 64.86 1qhb h VAL 386 Cb 0.82 1.61 -0.05 0.00 -2.13 0.00 0.00 31.29 31.53 1qhb h VAL 386 CO 0.04 0.03 0.29 0.00 -1.23 0.00 0.00 177.57 176.70 1qhb h ALA 387 N 1.96 0.74 0.00 5.19 0.00 -1.68 -2.18 119.26 123.29 1qhb h ALA 387 Ca -0.00 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1qhb h ALA 387 Cb 0.61 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1qhb h ALA 387 CO 0.00 -0.06 -0.16 1.79 0.00 0.00 0.00 179.25 180.82 1qhb h THR 388 N 0.54 0.33 -0.16 0.00 1.35 -1.79 -1.79 112.91 111.39 1qhb h THR 388 Ca 0.26 -1.13 -0.13 0.00 -0.55 0.00 0.00 66.41 64.85 1qhb h THR 388 Cb 0.18 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1qhb h THR 388 CO -0.18 0.16 -0.42 0.03 -0.25 0.00 0.00 175.52 174.85 1qhb h ARG 389 N 0.00 0.58 -0.42 4.72 -0.00 -1.66 -2.00 114.38 115.61 1qhb h ARG 389 Ca -0.00 -0.40 -0.07 0.00 -0.50 0.00 0.00 59.98 59.01 1qhb h ARG 389 Cb 0.86 0.06 -0.02 0.00 0.00 0.00 0.00 29.97 30.87 1qhb h ARG 389 CO 0.02 1.02 -0.03 0.00 0.00 0.00 0.00 179.97 180.98 1qhb h ALA 390 N 0.56 1.17 -0.35 0.04 0.00 -1.26 -3.00 119.26 116.42 1qhb h ALA 390 Ca -0.01 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1qhb h ALA 390 Cb 1.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1qhb h ALA 390 CO 0.09 0.53 -0.22 -0.07 0.00 0.00 0.00 179.25 179.59 1qhb h LEU 391 N 0.64 0.69 -0.74 0.00 3.38 -1.06 -1.39 115.31 116.83 1qhb h LEU 391 Ca 0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1qhb h LEU 391 Cb 0.44 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1qhb h LEU 391 CO 0.02 0.89 0.42 0.11 0.09 0.00 0.00 178.44 179.98 1qhb h LYS 392 N 0.60 1.02 -0.42 1.13 1.57 -1.24 0.71 116.57 119.93 1qhb h LYS 392 Ca 0.09 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1qhb h LYS 392 Cb 0.70 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1qhb h LYS 392 CO 0.05 0.75 0.09 0.00 -0.57 0.00 0.00 179.45 179.77 1qhb h ALA 393 N 1.22 0.56 0.00 3.86 0.00 -1.33 -2.80 119.26 120.76 1qhb h ALA 393 Ca 0.26 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1qhb h ALA 393 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1qhb h ALA 393 CO -0.05 0.25 -0.32 -0.24 0.00 0.00 0.00 179.25 178.90 1qhb h VAL 394 N 0.55 0.72 -0.21 0.00 3.04 -0.72 -2.78 116.25 116.85 1qhb h VAL 394 Ca 0.13 -1.43 -0.10 0.00 -1.01 0.00 0.00 66.70 64.28 1qhb h VAL 394 Cb 0.34 1.93 -0.01 0.00 -2.01 0.00 0.00 31.29 31.54 1qhb h VAL 394 CO 0.00 0.31 -0.32 0.03 -1.01 0.00 0.00 177.57 176.59 1qhb h ARG 395 N 0.00 0.43 -0.42 4.17 2.47 -0.66 0.14 114.38 120.51 1qhb h ARG 395 Ca -0.00 -0.18 -0.02 0.00 -1.26 0.00 0.00 59.98 58.52 1qhb h ARG 395 Cb 0.90 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.19 1qhb h ARG 395 CO 0.04 0.70 0.19 -0.92 0.56 0.00 0.00 179.97 180.54 1qhb h TYR 396 N 0.37 0.62 0.02 3.04 3.20 -1.25 -1.60 116.97 121.37 1qhb h TYR 396 Ca 0.05 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1qhb h TYR 396 Cb 0.75 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1qhb h TYR 396 CO 0.02 0.52 -0.01 1.96 -1.64 0.00 0.00 178.16 179.02 1qhb h GLN 397 N 0.54 -0.02 0.32 1.82 1.08 -1.25 -0.92 115.11 116.67 1qhb h GLN 397 Ca 0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1qhb h GLN 397 Cb 0.15 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.55 1qhb h GLN 397 CO -0.02 0.35 -0.46 0.87 -0.95 0.00 0.00 178.83 178.62 1qhb h LYS 398 N -0.40 -0.81 0.07 1.46 1.57 -0.58 -1.96 116.57 115.92 1qhb h LYS 398 Ca -0.00 0.06 -0.37 0.00 -1.87 0.00 0.00 60.65 58.46 1qhb h LYS 398 Cb 0.38 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 1qhb h LYS 398 CO 0.00 -0.54 -2.19 1.19 -0.57 0.00 0.00 179.45 177.35 1qhb n PHE 399 N -5.51 0.75 0.04 -1.35 3.72 -0.62 -1.25 117.46 113.25 1qhb n PHE 399 Ca -0.10 0.16 -0.05 0.00 -0.05 0.00 0.00 57.45 57.41 1qhb n PHE 399 Cb 0.42 -1.10 -0.10 0.00 -0.94 0.00 0.00 39.48 37.76 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 0.03 0.00 0.00 4.37 4.21 -1.31 -3.42 115.58 119.46 1qhb h ASN 400 Ca -0.49 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.02 1qhb h ASN 400 Cb 1.97 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.17 1qhb h ASN 400 CO 0.01 0.89 0.00 -0.38 -1.29 0.00 0.00 177.43 176.66 1qhb n ILE 401 N -3.18 0.00 0.01 2.81 2.08 -0.87 -4.96 119.36 115.26 1qhb n ILE 401 Ca -0.06 0.28 -0.13 0.00 0.56 0.00 0.00 62.75 63.40 1qhb n ILE 401 Cb 0.94 -1.25 -0.14 0.00 -0.75 0.00 0.00 39.64 38.44 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 0.21 -6.83 1.39 3.86 -1.53 -3.46 115.15 108.79 1qhb h HIS 402 Ca 0.00 -0.15 -0.57 0.00 -1.16 0.00 0.00 60.37 58.49 1qhb h HIS 402 Cb 0.00 -0.01 -0.10 0.00 1.06 0.00 0.00 27.41 28.36 1qhb h HIS 402 CO 0.00 1.24 -0.96 0.54 0.86 0.00 0.00 177.93 179.61 1qhb n ARG 403 N -3.26 -1.40 -2.48 2.45 1.74 -0.38 -4.90 116.66 108.43 1qhb n ARG 403 Ca -0.18 0.20 -0.41 0.00 -0.77 0.00 0.00 57.85 56.69 1qhb n ARG 403 Cb 1.04 -3.62 -0.04 0.00 -1.02 0.00 0.00 32.46 28.81 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 -7.08 4.59 0.46 5.56 3.52 -1.26 -1.36 118.95 123.38 1qhb s ARG 404 Ca 0.15 1.76 -0.23 0.00 -0.13 0.00 0.00 55.73 57.29 1qhb s ARG 404 Cb -0.08 -3.25 -0.07 0.00 -1.56 0.00 0.00 34.95 29.99 1qhb s ARG 404 CO 0.95 0.08 1.17 -0.48 -0.81 0.00 0.00 175.30 176.21 1qhb s LEU 405 N -0.59 4.01 0.69 -0.88 2.34 -1.22 -1.13 118.68 121.89 1qhb s LEU 405 Ca 0.49 2.31 -0.12 0.00 0.06 0.00 0.00 54.13 56.87 1qhb s LEU 405 Cb -0.31 -4.24 0.01 0.00 -0.56 0.00 0.00 46.19 41.09 1qhb s LEU 405 CO 0.37 -0.92 1.07 -0.13 -1.06 0.00 0.00 176.35 175.67 1qhb s ARG 406 N -2.70 2.88 0.39 1.48 1.81 -1.26 -4.63 118.95 116.92 1qhb s ARG 406 Ca 0.64 1.07 0.14 0.00 -1.72 0.00 0.00 55.73 55.86 1qhb s ARG 406 Cb -0.29 -1.98 0.98 0.00 -0.45 0.00 0.00 34.95 33.22 1qhb s ARG 406 CO 0.35 -1.15 1.83 -1.35 -0.68 0.00 0.00 175.30 174.30 1qhb h PRO 407 N -0.50 0.50 -0.49 3.54 0.11 -1.82 -1.50 132.00 131.84 1qhb h PRO 407 Ca -0.45 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1qhb h PRO 407 Cb 1.22 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1qhb h PRO 407 CO 0.56 0.33 0.19 1.05 -0.21 0.00 0.00 178.00 179.92 1qhb h GLU 408 N 0.51 0.70 -0.41 1.05 4.11 -1.92 -1.10 114.58 117.52 1qhb h GLU 408 Ca 0.50 -0.10 -0.12 0.00 0.07 0.00 0.00 59.36 59.72 1qhb h GLU 408 Cb 1.10 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1qhb h GLU 408 CO -0.23 0.58 -0.21 0.00 0.07 0.00 0.00 179.01 179.22 1qhb h ALA 409 N 1.52 0.85 -0.65 1.06 0.00 -1.63 -0.83 119.26 119.58 1qhb h ALA 409 Ca 0.17 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1qhb h ALA 409 Cb 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1qhb h ALA 409 CO -0.02 0.64 0.19 1.15 0.00 0.00 0.00 179.25 181.22 1qhb h THR 410 N 0.71 1.24 -0.36 0.00 2.02 -1.25 -1.49 112.91 113.78 1qhb h THR 410 Ca 0.10 -0.86 -0.09 0.00 0.77 0.00 0.00 66.41 66.33 1qhb h THR 410 Cb 0.73 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1qhb h THR 410 CO 0.06 0.33 -0.17 1.23 0.37 0.00 0.00 175.52 177.34 1qhb h GLY 411 N 1.05 0.72 0.75 2.16 0.00 -0.70 -2.20 103.07 104.84 1qhb h GLY 411 Ca 0.21 -0.56 0.05 0.00 0.00 0.00 0.00 47.33 47.04 1qhb h GLY 411 CO -0.01 0.51 0.46 -1.33 0.00 0.00 0.00 176.54 176.18 1qhb h GLY 412 N 0.98 1.13 1.01 4.60 0.00 -0.45 0.81 103.07 111.14 1qhb h GLY 412 Ca 0.10 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 1qhb h GLY 412 CO 0.04 0.24 -0.06 1.41 0.00 0.00 0.00 176.54 178.17 1qhb h LEU 413 N 0.86 0.84 -0.19 3.11 3.38 -0.82 -2.30 115.31 120.19 1qhb h LEU 413 Ca 0.33 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1qhb h LEU 413 Cb 0.14 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1qhb h LEU 413 CO -0.16 0.98 0.07 0.40 0.09 0.00 0.00 178.44 179.82 1qhb h ILE 414 N 0.69 1.17 -0.21 1.22 2.04 -1.05 -1.90 117.51 119.48 1qhb h ILE 414 Ca 0.12 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1qhb h ILE 414 Cb 0.58 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1qhb h ILE 414 CO 0.04 0.17 0.12 -1.28 0.00 0.00 0.00 178.15 177.19 1qhb h SER 415 N 0.14 0.26 -0.20 1.72 0.87 -0.76 -1.47 113.55 114.11 1qhb h SER 415 Ca 0.06 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1qhb h SER 415 Cb 0.20 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1qhb h SER 415 CO -0.00 0.25 0.13 0.58 -0.53 0.00 0.00 176.83 177.25 1qhb h VAL 416 N 0.24 1.07 -0.26 2.23 2.07 -1.45 -1.56 116.25 118.60 1qhb h VAL 416 Ca 0.07 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1qhb h VAL 416 Cb 0.04 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1qhb h VAL 416 CO -0.01 0.07 0.16 -1.13 0.02 0.00 0.00 177.57 176.67 1qhb h ASN 417 N 0.25 0.31 -0.55 0.57 -0.73 -1.21 -1.39 115.58 112.83 1qhb h ASN 417 Ca 0.07 -0.05 -0.06 0.00 1.87 0.00 0.00 56.30 58.13 1qhb h ASN 417 Cb 0.00 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.49 1qhb h ASN 417 CO -0.01 0.26 0.11 0.50 -0.37 0.00 0.00 177.43 177.92 1qhb h LYS 418 N 0.32 0.90 -0.48 6.67 3.64 -1.22 -0.45 116.57 125.95 1qhb h LYS 418 Ca 0.09 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 1qhb h LYS 418 Cb 0.01 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1qhb h LYS 418 CO -0.02 0.86 0.23 -0.91 -2.27 0.00 0.00 179.45 177.34 1qhb h ASN 419 N 0.79 0.64 -0.98 4.20 2.35 -1.22 -2.39 115.58 118.97 1qhb h ASN 419 Ca 0.17 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1qhb h ASN 419 Cb 0.38 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.54 1qhb h ASN 419 CO 0.01 0.59 0.65 0.00 -1.65 0.00 0.00 177.43 177.02 1qhb h ALA 420 N 1.07 1.24 -0.72 -0.83 0.00 -1.17 -2.66 119.26 116.18 1qhb h ALA 420 Ca 0.17 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1qhb h ALA 420 Cb 0.12 -0.40 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1qhb h ALA 420 CO -0.02 0.63 0.46 0.35 0.00 0.00 0.00 179.25 180.67 1qhb h PHE 421 N 1.33 0.86 0.00 0.00 3.57 -0.59 0.42 116.94 122.52 1qhb h PHE 421 Ca 0.36 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.85 1qhb h PHE 421 Cb -0.15 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.30 1qhb h PHE 421 CO -0.00 0.50 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.34 1qhb h LEU 422 N 0.91 0.00 -2.89 0.59 3.38 -1.12 -0.67 115.31 115.51 1qhb h LEU 422 Ca 0.28 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 1qhb h LEU 422 Cb -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1qhb h LEU 422 CO -0.10 0.17 0.05 0.29 0.09 0.00 0.00 178.44 178.94 1qhb n LYS 423 N -3.46 3.60 -3.80 1.13 4.01 -0.79 -4.90 118.16 113.95 1qhb n LYS 423 Ca -0.01 -2.24 -0.23 0.00 -0.51 0.00 0.00 58.31 55.32 1qhb n LYS 423 Cb 0.34 -2.03 0.01 0.00 -0.51 0.00 0.00 35.03 32.84 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 0.33 -1.12 -4.16 4.39 2.88 -0.26 -4.97 113.62 110.71 1qhb n SER 424 Ca 0.22 -0.91 -0.11 0.00 -1.33 0.00 0.00 58.87 56.74 1qhb n SER 424 Cb 0.97 -3.62 -0.10 0.00 -0.75 0.00 0.00 64.21 60.71 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 -6.19 0.81 -0.21 -1.46 2.12 0.14 -4.99 118.70 108.92 1qhb s GLU 425 Ca 0.04 -1.27 -0.01 0.00 0.36 0.00 0.00 54.97 54.08 1qhb s GLU 425 Cb -0.01 -0.24 0.01 0.00 0.26 0.00 0.00 34.13 34.15 1qhb s GLU 425 CO 0.85 -0.01 -0.10 -1.12 -0.54 0.00 0.00 175.26 174.34 1qhb s SER 426 N -2.88 3.90 -0.05 -1.70 0.01 -1.26 -3.09 113.70 108.63 1qhb s SER 426 Ca 0.09 -0.63 -0.00 0.00 1.31 0.00 0.00 55.95 56.72 1qhb s SER 426 Cb 0.03 -1.62 0.03 0.00 0.21 0.00 0.00 66.02 64.67 1qhb s SER 426 CO -0.04 -0.05 -0.00 -0.69 0.41 0.00 0.00 173.24 172.87 1qhb s VAL 427 N 1.36 0.31 -1.03 3.43 1.01 -1.26 -4.91 120.40 119.31 1qhb s VAL 427 Ca 0.04 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.01 1qhb s VAL 427 Cb -0.15 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 1qhb s VAL 427 CO -0.07 0.21 0.87 0.49 0.00 0.00 0.00 175.10 176.59 1qhb n PHE 428 N 4.56 -2.41 0.30 5.22 3.72 -1.26 -4.20 117.46 123.40 1qhb n PHE 428 Ca -0.17 0.81 0.17 0.00 -0.05 0.00 0.00 57.45 58.21 1qhb n PHE 428 Cb 0.50 -3.98 0.95 0.00 -0.94 0.00 0.00 39.48 36.01 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 -1.06 0.00 -0.10 -1.08 0.13 -1.98 -1.23 132.00 126.67 1qhb h PRO 429 Ca -0.56 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1qhb h PRO 429 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1qhb h PRO 429 CO 0.43 0.03 0.08 0.93 -0.23 0.00 0.00 178.00 179.25 1qhb h GLU 430 N 0.00 0.00 -0.62 0.86 3.07 -2.02 0.17 114.58 116.05 1qhb h GLU 430 Ca -0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1qhb h GLU 430 Cb 0.13 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1qhb h GLU 430 CO 0.00 0.00 0.03 1.33 -1.40 0.00 0.00 179.01 178.97 1qhb n VAL 431 N -4.24 2.69 -0.26 3.13 0.24 -0.46 -4.61 118.33 114.81 1qhb n VAL 431 Ca -0.01 -1.37 -0.06 0.00 -2.04 0.00 0.00 64.34 60.86 1qhb n VAL 431 Cb 0.19 -0.30 0.05 0.00 -1.47 0.00 0.00 33.84 32.32 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 3.73 0.93 0.07 -1.34 3.32 -1.11 -0.14 116.42 121.87 1qhb h ASP 432 Ca 0.03 -0.12 -0.15 0.00 0.02 0.00 0.00 57.03 56.81 1qhb h ASP 432 Cb 1.98 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 41.28 1qhb h ASP 432 CO 0.51 0.79 -0.52 0.58 -1.72 0.00 0.00 179.24 178.88 1qhb h VAL 433 N 1.00 1.32 -0.35 -1.35 2.07 -1.81 -0.08 116.25 117.04 1qhb h VAL 433 Ca 0.25 -1.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 1qhb h VAL 433 Cb 0.09 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1qhb h VAL 433 CO -0.03 0.54 0.18 0.25 0.02 0.00 0.00 177.57 178.52 1qhb h LEU 434 N 0.39 0.46 -0.43 2.57 5.85 -1.64 -1.56 115.31 120.95 1qhb h LEU 434 Ca 0.01 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1qhb h LEU 434 Cb 1.04 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 1qhb h LEU 434 CO 0.09 0.44 0.06 0.58 -0.34 0.00 0.00 178.44 179.28 1qhb h VAL 435 N 0.44 1.25 -0.39 1.05 2.07 -0.93 -2.79 116.25 116.95 1qhb h VAL 435 Ca 0.12 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1qhb h VAL 435 Cb 0.10 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1qhb h VAL 435 CO -0.02 0.31 0.21 -0.08 0.02 0.00 0.00 177.57 178.02 1qhb h GLU 436 N 0.58 0.54 0.00 1.57 4.81 -0.73 -2.80 114.58 118.54 1qhb h GLU 436 Ca 0.13 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1qhb h GLU 436 Cb 0.39 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1qhb h GLU 436 CO 0.01 0.44 -0.09 0.93 -0.73 0.00 0.00 179.01 179.57 1qhb h GLU 437 N 0.49 0.00 -0.64 1.92 4.39 -1.24 -2.93 114.58 116.57 1qhb h GLU 437 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1qhb h GLU 437 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1qhb h GLU 437 CO -0.02 0.09 0.00 1.28 -1.16 0.00 0.00 179.01 179.20 1qhb n LEU 438 N -3.27 3.47 -0.20 1.33 4.77 -1.06 -4.78 117.00 117.27 1qhb n LEU 438 Ca -0.00 -1.74 -0.05 0.00 -0.03 0.00 0.00 56.01 54.19 1qhb n LEU 438 Cb 0.33 -0.44 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1qhb n LEU 438 CO 0.29 0.83 0.64 0.77 -1.33 0.00 0.00 177.39 178.60 1qhb h SER 439 N 3.69 -1.07 -0.58 -1.43 4.64 -1.36 -0.42 113.55 117.02 1qhb h SER 439 Ca 0.00 0.22 -0.09 0.00 -0.47 0.00 0.00 61.79 61.46 1qhb h SER 439 Cb 0.90 0.55 -0.02 0.00 -0.31 0.00 0.00 62.40 63.51 1qhb h SER 439 CO 0.02 -0.29 0.04 0.77 -0.87 0.00 0.00 176.83 176.50 1qhb h SER 440 N -0.14 0.99 -0.89 4.97 4.64 -1.88 -2.43 113.55 118.81 1qhb h SER 440 Ca 0.24 -0.26 0.05 0.00 -0.47 0.00 0.00 61.79 61.35 1qhb h SER 440 Cb 0.54 -0.26 -0.06 0.00 -0.31 0.00 0.00 62.40 62.31 1qhb h SER 440 CO -0.67 1.02 0.57 0.40 -0.87 0.00 0.00 176.83 177.28 1qhb h ILE 441 N 0.95 1.10 0.00 0.95 2.04 -1.70 -2.64 117.51 118.21 1qhb h ILE 441 Ca 0.18 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1qhb h ILE 441 Cb 0.49 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1qhb h ILE 441 CO 0.02 0.20 -0.19 -0.07 0.00 0.00 0.00 178.15 178.11 1qhb h LEU 442 N 1.07 0.00 -0.21 1.44 3.38 -0.62 -2.39 115.31 117.98 1qhb h LEU 442 Ca 0.37 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.29 1qhb h LEU 442 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1qhb h LEU 442 CO -0.15 0.19 -0.08 0.44 0.09 0.00 0.00 178.44 178.94 1qhb h ASP 443 N 0.00 0.43 -0.73 -0.43 3.32 -1.26 -0.33 116.42 117.41 1qhb h ASP 443 Ca -0.00 -0.39 -0.02 0.00 0.02 0.00 0.00 57.03 56.63 1qhb h ASP 443 Cb 0.56 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 1qhb h ASP 443 CO 0.02 0.72 0.37 0.44 -1.72 0.00 0.00 179.24 179.08 1qhb h ASP 444 N 0.14 0.96 -0.15 6.45 3.32 -1.35 -2.68 116.42 123.10 1qhb h ASP 444 Ca 0.05 -0.10 -0.20 0.00 0.02 0.00 0.00 57.03 56.80 1qhb h ASP 444 Cb 0.55 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.86 1qhb h ASP 444 CO 0.03 0.80 -0.68 -1.28 -1.72 0.00 0.00 179.24 176.39 1qhb h SER 445 N 1.06 0.86 -0.81 6.45 0.87 -1.34 -0.80 113.55 119.84 1qhb h SER 445 Ca 0.26 -0.62 0.07 0.00 -1.23 0.00 0.00 61.79 60.27 1qhb h SER 445 Cb 0.09 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 61.74 1qhb h SER 445 CO -0.04 1.34 0.53 0.00 -0.53 0.00 0.00 176.83 178.14 1qhb h ALA 446 N 0.54 1.62 -0.21 6.23 0.00 -0.94 0.28 119.26 126.78 1qhb h ALA 446 Ca -0.04 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1qhb h ALA 446 Cb 1.31 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1qhb h ALA 446 CO 0.14 0.26 -0.50 1.03 0.00 0.00 0.00 179.25 180.17 1qhb h SER 447 N 0.88 0.80 -0.55 0.00 0.87 -1.33 0.19 113.55 114.41 1qhb h SER 447 Ca 0.35 -0.57 -0.08 0.00 -1.23 0.00 0.00 61.79 60.26 1qhb h SER 447 Cb 0.24 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1qhb h SER 447 CO -0.13 1.22 0.03 -1.28 -0.53 0.00 0.00 176.83 176.15 1qhb h SER 448 N 0.42 0.93 0.00 6.23 0.87 -0.49 -2.51 113.55 119.01 1qhb h SER 448 Ca -0.00 -0.29 -0.09 0.00 -1.23 0.00 0.00 61.79 60.17 1qhb h SER 448 Cb 1.11 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 1qhb h SER 448 CO 0.11 1.00 -0.26 0.78 -0.53 0.00 0.00 176.83 177.92 1qhb h ASN 449 N 0.84 0.41 -0.55 6.23 2.35 -0.29 -1.99 115.58 122.58 1qhb h ASN 449 Ca 0.16 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1qhb h ASN 449 Cb 0.50 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1qhb h ASN 449 CO 0.02 0.67 0.29 -0.08 -1.65 0.00 0.00 177.43 176.68 1qhb h GLU 450 N 0.36 0.77 -0.68 0.81 4.81 -0.70 0.24 114.58 120.20 1qhb h GLU 450 Ca 0.05 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1qhb h GLU 450 Cb 0.65 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1qhb h GLU 450 CO 0.05 0.60 0.30 0.87 -0.73 0.00 0.00 179.01 180.10 1qhb h LYS 451 N 0.74 1.00 0.10 1.92 1.57 -1.16 0.10 116.57 120.84 1qhb h LYS 451 Ca 0.19 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1qhb h LYS 451 Cb 0.06 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1qhb h LYS 451 CO -0.03 0.81 -0.05 0.37 -0.57 0.00 0.00 179.45 179.98 1qhb h GLN 452 N 0.95 -0.14 -0.40 3.15 5.75 -0.85 -1.17 115.11 122.41 1qhb h GLN 452 Ca 0.23 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.75 1qhb h GLN 452 Cb 0.16 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 1qhb h GLN 452 CO -0.02 -0.04 0.27 -0.91 -2.65 0.00 0.00 178.83 175.47 1qhb h ASN 453 N -0.20 0.44 -0.02 -0.69 2.35 -0.15 -0.45 115.58 116.86 1qhb h ASN 453 Ca -0.01 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1qhb h ASN 453 Cb 0.16 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 1qhb h ASN 453 CO 0.02 0.31 0.00 0.40 -1.65 0.00 0.00 177.43 176.52 1qhb h ILE 454 N 0.51 1.23 -0.44 2.81 2.04 -0.63 -0.21 117.51 122.82 1qhb h ILE 454 Ca 0.15 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.38 1qhb h ILE 454 Cb -0.01 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1qhb h ILE 454 CO -0.03 0.18 0.29 0.00 0.00 0.00 0.00 178.15 178.59 1qhb h ALA 455 N 0.73 1.89 0.00 1.87 0.00 -0.78 -2.39 119.26 120.57 1qhb h ALA 455 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qhb h ALA 455 Cb 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1qhb h ALA 455 CO 0.00 0.04 -0.85 -0.25 0.00 0.00 0.00 179.25 178.19 1qhb n ASP 456 N -4.48 0.66 -0.30 0.00 8.00 -0.22 -4.97 116.55 115.25 1qhb n ASP 456 Ca 0.05 -0.01 -0.02 0.00 0.71 0.00 0.00 54.79 55.52 1qhb n ASP 456 Cb 0.20 0.49 -0.00 0.00 -0.02 0.00 0.00 41.12 41.79 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 1.34 0.29 3.55 0.44 0.00 -0.16 -5.03 105.19 105.62 1qhb n GLY 457 Ca 0.02 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.90 5.60 -0.06 1.61 1.01 -0.79 -5.04 116.67 116.11 1qhb s ASP 458 Ca 0.00 -0.05 0.06 0.00 0.71 0.00 0.00 52.55 53.27 1qhb s ASP 458 Cb -0.00 -2.01 -0.01 0.00 1.01 0.00 0.00 42.92 41.91 1qhb s ASP 458 CO 0.00 0.02 -0.24 -0.69 0.21 0.00 0.00 175.17 174.47 1qhb s VAL 459 N 1.30 2.00 -0.02 -1.27 1.01 -1.26 -4.66 120.40 117.49 1qhb s VAL 459 Ca 0.06 -1.02 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 1qhb s VAL 459 Cb -0.15 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.55 1qhb s VAL 459 CO 0.05 0.55 0.25 -0.44 0.00 0.00 0.00 175.10 175.51 1qhb s SER 460 N -0.04 -0.13 0.49 3.32 0.01 -1.26 -4.87 113.70 111.22 1qhb s SER 460 Ca -0.07 0.05 -0.23 0.00 1.31 0.00 0.00 55.95 57.02 1qhb s SER 460 Cb -0.14 0.31 -0.06 0.00 0.21 0.00 0.00 66.02 66.33 1qhb s SER 460 CO 0.05 -0.37 1.31 -2.84 0.41 0.00 0.00 173.24 171.79 1qhb s PRO 461 N -1.14 3.47 0.00 12.44 0.02 -1.26 -4.84 135.00 143.68 1qhb s PRO 461 Ca -0.12 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.03 1qhb s PRO 461 Cb -0.06 -2.41 0.00 0.00 0.02 0.00 0.00 34.50 32.06 1qhb s PRO 461 CO 0.03 -0.89 0.00 0.41 -0.33 0.00 0.00 177.00 176.21 1qhb n GLY 462 N 0.63 -1.34 3.86 0.52 0.00 -1.26 -4.93 105.19 102.66 1qhb n GLY 462 Ca 0.08 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.30 2.62 -0.23 1.61 1.02 -1.26 -5.05 119.74 117.15 1qhb s LYS 463 Ca 0.00 0.50 -0.00 0.00 0.02 0.00 0.00 55.97 56.48 1qhb s LYS 463 Cb 0.00 -1.99 0.03 0.00 -0.52 0.00 0.00 37.83 35.35 1qhb s LYS 463 CO 0.00 -1.21 -0.10 0.45 -0.92 0.00 0.00 175.35 173.57 1qhb s SER 464 N -4.25 4.04 -0.14 2.83 0.15 -1.26 -4.95 113.70 110.12 1qhb s SER 464 Ca 0.59 -0.87 0.16 0.00 0.70 0.00 0.00 55.95 56.53 1qhb s SER 464 Cb -0.12 -1.60 0.65 0.00 -1.71 0.00 0.00 66.02 63.24 1qhb s SER 464 CO 0.52 -0.10 1.56 0.49 1.20 0.00 0.00 173.24 176.92 1qhb n PHE 465 N 4.63 1.37 -1.38 3.44 3.72 -1.26 -3.89 117.46 124.08 1qhb n PHE 465 Ca -0.17 -0.69 -0.35 0.00 -0.05 0.00 0.00 57.45 56.19 1qhb n PHE 465 Cb 0.47 -0.29 0.10 0.00 -0.94 0.00 0.00 39.48 38.81 1qhb n PHE 465 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1qhb n LEU 466 N 0.55 4.71 -4.66 4.37 4.77 -1.26 -4.55 117.00 120.92 1qhb n LEU 466 Ca 0.24 0.69 -0.43 0.00 -0.03 0.00 0.00 56.01 56.48 1qhb n LEU 466 Cb 0.91 -1.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.47 1qhb n LEU 466 CO 0.22 -1.56 0.85 -0.22 -1.33 0.00 0.00 177.39 175.35 1qhb s LEU 467 N -4.51 4.13 0.18 2.23 2.96 -1.26 -4.97 118.68 117.44 1qhb s LEU 467 Ca 0.77 1.36 -0.32 0.00 -0.22 0.00 0.00 54.13 55.72 1qhb s LEU 467 Cb -0.34 -3.49 -0.11 0.00 0.50 0.00 0.00 46.19 42.75 1qhb s LEU 467 CO 0.47 -0.59 1.68 -2.84 -1.32 0.00 0.00 176.35 173.75 1qhb s PRO 468 N 2.87 4.16 0.07 0.98 0.02 -1.26 -4.82 135.00 137.01 1qhb s PRO 468 Ca 0.44 2.52 -0.08 0.00 0.02 0.00 0.00 61.00 63.89 1qhb s PRO 468 Cb -0.16 -3.16 -0.05 0.00 0.02 0.00 0.00 34.50 31.15 1qhb s PRO 468 CO 0.09 -0.71 0.36 -1.64 -0.33 0.00 0.00 177.00 174.77 1qhb s MET 469 N 1.35 3.69 0.29 5.54 -1.94 0.17 -4.81 119.30 123.59 1qhb s MET 469 Ca 0.74 0.07 0.25 0.00 -1.71 0.00 0.00 55.69 55.03 1qhb s MET 469 Cb -0.47 -2.99 0.58 0.00 2.01 0.00 0.00 34.83 33.96 1qhb s MET 469 CO 0.32 0.57 1.67 0.00 -0.01 0.00 0.00 175.02 177.56 1qhb h ALA 470 N 3.63 0.96 -4.01 3.03 0.00 -1.69 -1.12 119.26 120.06 1qhb h ALA 470 Ca -0.49 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 53.73 1qhb h ALA 470 Cb 1.19 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.75 1qhb h ALA 470 CO 0.67 0.00 -0.77 -0.06 0.00 0.00 0.00 179.25 179.09 1qhb s PHE 471 N -3.15 2.70 0.27 0.00 0.08 -1.26 -4.84 117.98 111.77 1qhb s PHE 471 Ca 0.09 -0.16 -0.03 0.00 0.12 0.00 0.00 56.93 56.95 1qhb s PHE 471 Cb 0.10 -1.61 0.35 0.00 -0.57 0.00 0.00 43.02 41.29 1qhb s PHE 471 CO 0.64 0.20 1.83 0.00 -0.10 0.00 0.00 175.22 177.79 1qhb h ALA 472 N 5.23 1.19 -0.01 5.36 0.00 -1.87 -1.40 119.26 127.76 1qhb h ALA 472 Ca -0.47 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1qhb h ALA 472 Cb 1.15 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1qhb h ALA 472 CO 0.50 0.57 -0.06 -0.85 0.00 0.00 0.00 179.25 179.41 1qhb n GLU 473 N -4.29 1.14 0.00 0.00 0.00 -1.26 -4.74 120.64 111.49 1qhb n GLU 473 Ca 0.05 -0.48 0.00 0.00 0.00 0.00 0.00 57.16 56.73 1qhb n GLU 473 Cb 0.20 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.15 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 1.18 0.89 3.80 -1.84 0.00 -0.53 -4.82 105.19 103.87 1qhb n GLY 474 Ca 0.18 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 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 4.99 1.17 1.61 1.04 -1.26 -4.84 113.70 112.41 1qhb s SER 475 Ca 0.00 1.69 -0.13 0.00 0.48 0.00 0.00 55.95 57.98 1qhb s SER 475 Cb 0.00 -2.49 0.27 0.00 0.10 0.00 0.00 66.02 63.90 1qhb s SER 475 CO 0.00 -1.70 0.92 -2.65 0.98 0.00 0.00 173.24 170.79 1qhb n PRO 476 N -3.30 -2.34 -1.54 4.02 -0.02 -1.26 -4.88 135.00 125.67 1qhb n PRO 476 Ca 0.08 -0.65 -0.34 0.00 -2.02 0.00 0.00 63.50 60.57 1qhb n PRO 476 Cb 0.53 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 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 -4.92 2.02 -3.52 6.00 3.01 -1.26 -4.81 117.46 113.98 1qhb n PHE 477 Ca 0.03 -2.60 -0.17 0.00 1.01 0.00 0.00 57.45 55.72 1qhb n PHE 477 Cb 0.55 -1.96 -0.06 0.00 -0.01 0.00 0.00 39.48 37.99 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 0.21 -0.64 0.98 1.38 -3.43 -1.26 -2.72 115.29 109.81 1qhb s HIS 478 Ca 0.62 1.08 -0.14 0.00 -0.80 0.00 0.00 55.06 55.82 1qhb s HIS 478 Cb 0.23 0.42 0.06 0.00 -1.43 0.00 0.00 32.58 31.86 1qhb s HIS 478 CO -0.09 -0.61 0.39 -2.30 -2.00 0.00 0.00 174.74 170.14 1qhb n PRO 479 N 0.85 -0.58 0.19 -0.38 -0.02 -1.26 -4.95 135.00 128.84 1qhb n PRO 479 Ca -0.19 -0.13 0.08 0.00 -2.02 0.00 0.00 63.50 61.24 1qhb n PRO 479 Cb 0.57 -1.87 0.13 0.00 -0.02 0.00 0.00 33.50 32.31 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 -1.70 0.00 -3.39 2.55 0.87 -1.39 -3.46 113.55 107.03 1qhb h SER 480 Ca -0.46 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.51 1qhb h SER 480 Cb 1.30 0.00 -0.37 0.00 -0.44 0.00 0.00 62.40 62.88 1qhb h SER 480 CO 0.36 0.24 -0.80 -0.47 -0.53 0.00 0.00 176.83 175.62 1qhb s TYR 481 N -3.13 2.14 0.00 2.24 5.04 -1.26 -4.27 117.35 118.12 1qhb s TYR 481 Ca 0.05 -1.40 0.00 0.00 -2.44 0.00 0.00 57.07 53.28 1qhb s TYR 481 Cb 0.06 -1.51 0.00 0.00 0.35 0.00 0.00 41.96 40.86 1qhb s TYR 481 CO 0.70 -0.70 0.00 0.41 -1.34 0.00 0.00 175.55 174.62 1qhb n GLY 482 N 4.76 1.55 3.26 8.97 0.00 -1.26 -3.05 105.19 119.41 1qhb n GLY 482 Ca -0.14 -1.74 -0.29 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 2.77 0.12 1.61 0.15 -1.26 -4.85 113.70 111.25 1qhb s SER 483 Ca 0.00 -0.43 -0.14 0.00 0.70 0.00 0.00 55.95 56.08 1qhb s SER 483 Cb 0.00 -0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 63.87 1qhb s SER 483 CO 0.00 0.27 1.52 1.23 1.20 0.00 0.00 173.24 177.47 1qhb h GLY 484 N 5.68 0.82 0.89 9.45 0.00 -1.95 0.91 103.07 118.87 1qhb h GLY 484 Ca -0.39 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.25 1qhb h GLY 484 CO 0.47 0.62 0.06 0.45 0.00 0.00 0.00 176.54 178.15 1qhb h HIS 485 N 0.56 0.20 -0.12 5.60 3.86 -1.95 -2.47 115.15 120.83 1qhb h HIS 485 Ca 0.10 -0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.18 1qhb h HIS 485 Cb 0.63 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 1qhb h HIS 485 CO 0.05 0.26 -0.42 0.00 0.86 0.00 0.00 177.93 178.69 1qhb h ALA 486 N 0.92 1.08 -0.29 2.45 0.00 -1.90 0.18 119.26 121.70 1qhb h ALA 486 Ca 0.05 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 1qhb h ALA 486 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1qhb h ALA 486 CO -0.00 0.60 -0.39 -0.24 0.00 0.00 0.00 179.25 179.21 1qhb h VAL 487 N 0.22 1.29 -0.34 0.00 3.04 -0.70 -1.39 116.25 118.36 1qhb h VAL 487 Ca 0.02 -1.56 -0.16 0.00 -1.01 0.00 0.00 66.70 63.98 1qhb h VAL 487 Cb 0.83 1.49 -0.00 0.00 -2.01 0.00 0.00 31.29 31.60 1qhb h VAL 487 CO 0.07 0.50 -0.43 0.58 -1.01 0.00 0.00 177.57 177.28 1qhb h VAL 488 N 0.57 1.28 -0.06 1.51 2.07 -1.32 -2.30 116.25 117.99 1qhb h VAL 488 Ca 0.05 -1.61 0.02 0.00 0.82 0.00 0.00 66.70 65.98 1qhb h VAL 488 Cb 0.93 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1qhb h VAL 488 CO 0.08 0.53 -0.08 0.00 0.02 0.00 0.00 177.57 178.13 1qhb h ALA 489 N 0.79 -0.02 -0.35 1.67 0.00 -0.68 0.16 119.26 120.84 1qhb h ALA 489 Ca 0.05 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1qhb h ALA 489 Cb 1.02 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1qhb h ALA 489 CO 0.10 -0.55 0.12 0.78 0.00 0.00 0.00 179.25 179.70 1qhb h GLY 490 N -0.10 0.44 0.74 0.00 0.00 -1.18 -0.34 103.07 102.61 1qhb h GLY 490 Ca 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1qhb h GLY 490 CO -0.13 0.03 -0.01 0.00 0.00 0.00 0.00 176.54 176.44 1qhb h ALA 491 N 1.22 0.13 -0.55 3.60 0.00 -1.17 -2.95 119.26 119.54 1qhb h ALA 491 Ca 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1qhb h ALA 491 Cb 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1qhb h ALA 491 CO -0.16 -0.17 0.23 0.00 0.00 0.00 0.00 179.25 179.15 1qhb h VAL 493 N 0.75 0.55 -0.63 0.00 -1.51 -1.16 -2.26 116.25 111.99 1qhb h VAL 493 Ca 0.19 -1.29 -0.04 0.00 -1.23 0.00 0.00 66.70 64.33 1qhb h VAL 493 Cb 0.17 1.89 -0.03 0.00 -2.13 0.00 0.00 31.29 31.20 1qhb h VAL 493 CO -0.02 0.24 0.24 0.74 -1.23 0.00 0.00 177.57 177.54 1qhb h THR 494 N 0.00 1.24 -0.15 7.19 2.02 -1.42 0.59 112.91 122.37 1qhb h THR 494 Ca -0.00 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 66.39 1qhb h THR 494 Cb 0.87 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1qhb h THR 494 CO 0.03 0.30 0.03 0.40 0.37 0.00 0.00 175.52 176.65 1qhb h ILE 495 N 0.90 1.22 -0.76 3.11 1.08 -1.01 -1.87 117.51 120.17 1qhb h ILE 495 Ca 0.21 -0.69 -0.05 0.00 -0.39 0.00 0.00 64.86 63.94 1qhb h ILE 495 Cb 0.23 1.38 -0.03 0.00 -3.07 0.00 0.00 36.82 35.33 1qhb h ILE 495 CO -0.01 0.21 0.28 -0.07 -0.69 0.00 0.00 178.15 177.86 1qhb h LEU 496 N 0.04 1.06 -1.03 1.44 3.38 -1.27 -0.92 115.31 118.01 1qhb h LEU 496 Ca 0.05 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1qhb h LEU 496 Cb 0.29 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1qhb h LEU 496 CO 0.00 0.96 -0.40 0.11 0.09 0.00 0.00 178.44 179.20 1qhb h LYS 497 N 1.11 0.00 -0.24 1.13 1.57 -0.58 -1.82 116.57 117.74 1qhb h LYS 497 Ca 0.25 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.88 1qhb h LYS 497 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1qhb h LYS 497 CO -0.02 0.40 -0.43 0.00 -0.57 0.00 0.00 179.45 178.83 1qhb h ALA 498 N 1.60 0.37 0.02 3.86 0.00 -1.15 -3.35 119.26 120.61 1qhb h ALA 498 Ca -0.00 -0.46 -0.23 0.00 0.00 0.00 0.00 54.91 54.22 1qhb h ALA 498 Cb 0.85 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1qhb h ALA 498 CO 0.05 0.49 -1.10 0.35 0.00 0.00 0.00 179.25 179.04 1qhb h PHE 499 N 0.43 0.07 -1.84 0.00 3.04 -0.96 -3.39 116.94 114.28 1qhb h PHE 499 Ca 0.01 -0.05 -0.45 0.00 3.98 0.00 0.00 57.97 61.46 1qhb h PHE 499 Cb 1.03 -0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.53 1qhb h PHE 499 CO 0.08 1.04 -0.37 -0.06 -2.02 0.00 0.00 178.31 176.99 1qhb s PHE 500 N -2.69 3.12 -1.03 0.41 0.08 -0.70 -0.79 117.98 116.37 1qhb s PHE 500 Ca -0.00 -0.21 -0.23 0.00 0.12 0.00 0.00 56.93 56.61 1qhb s PHE 500 Cb 0.09 -1.92 0.03 0.00 -0.57 0.00 0.00 43.02 40.65 1qhb s PHE 500 CO 0.83 0.06 1.60 0.34 -0.10 0.00 0.00 175.22 177.95 1qhb s ASP 501 N -4.13 6.20 0.56 1.36 -1.08 -0.04 -3.64 116.67 115.90 1qhb s ASP 501 Ca 0.43 -1.40 0.24 0.00 -0.52 0.00 0.00 52.55 51.30 1qhb s ASP 501 Cb -0.09 -2.57 1.59 0.00 -1.46 0.00 0.00 42.92 40.39 1qhb s ASP 501 CO 0.30 -1.79 2.21 0.00 0.52 0.00 0.00 175.17 176.41 1qhb h ALA 502 N 9.87 1.70 -0.15 3.66 0.00 -1.89 -2.40 119.26 130.05 1qhb h ALA 502 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1qhb h ALA 502 Cb 0.99 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1qhb h ALA 502 CO 1.38 0.01 0.00 0.09 0.00 0.00 0.00 179.25 180.73 1qhb n ASN 503 N -4.12 1.72 -4.76 0.00 3.02 -1.26 0.02 115.26 109.89 1qhb n ASN 503 Ca -0.03 -1.69 -0.39 0.00 -0.03 0.00 0.00 54.58 52.44 1qhb n ASN 503 Cb 0.09 -0.09 0.03 0.00 -0.61 0.00 0.00 39.78 39.20 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 0.35 2.58 -3.66 3.10 7.35 -0.90 -4.79 117.46 121.50 1qhb n PHE 504 Ca 0.17 0.43 -0.34 0.00 -0.76 0.00 0.00 57.45 56.95 1qhb n PHE 504 Cb 0.35 -2.43 -0.05 0.00 0.35 0.00 0.00 39.48 37.70 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 -2.61 3.67 -0.30 -4.13 -0.21 -1.26 -2.13 119.66 112.69 1qhb s GLN 505 Ca 0.65 0.04 -0.08 0.00 0.02 0.00 0.00 55.36 55.99 1qhb s GLN 505 Cb -0.44 -3.01 -0.01 0.00 1.00 0.00 0.00 33.01 30.56 1qhb s GLN 505 CO 0.54 0.58 0.12 0.42 -2.12 0.00 0.00 175.29 174.83 1qhb s ILE 506 N -1.40 4.36 -0.20 1.08 1.01 0.13 -4.94 121.20 121.23 1qhb s ILE 506 Ca 0.32 -0.47 0.22 0.00 0.00 0.00 0.00 60.65 60.73 1qhb s ILE 506 Cb -0.13 -3.20 -0.10 0.00 0.01 0.00 0.00 42.46 39.04 1qhb s ILE 506 CO 0.18 0.11 0.90 0.47 0.00 0.00 0.00 174.94 176.60 1qhb n ASP 507 N 4.94 0.61 -4.49 3.58 8.00 -1.26 -1.22 116.55 126.70 1qhb n ASP 507 Ca -0.14 0.21 -0.40 0.00 0.71 0.00 0.00 54.79 55.17 1qhb n ASP 507 Cb 0.49 0.87 -0.11 0.00 -0.02 0.00 0.00 41.12 42.35 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 -3.40 3.37 -0.20 -1.24 -0.21 -1.26 -4.87 119.66 111.85 1qhb s GLN 508 Ca -0.02 -0.72 -0.03 0.00 0.02 0.00 0.00 55.36 54.61 1qhb s GLN 508 Cb 0.11 -3.75 -0.01 0.00 1.00 0.00 0.00 33.01 30.36 1qhb s GLN 508 CO 0.82 -0.48 -0.06 0.08 -2.12 0.00 0.00 175.29 173.53 1qhb s VAL 509 N 1.68 3.31 0.24 1.09 1.01 -1.26 -5.03 120.40 121.44 1qhb s VAL 509 Ca 0.05 -0.53 0.11 0.00 0.00 0.00 0.00 61.98 61.61 1qhb s VAL 509 Cb -0.18 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 1qhb s VAL 509 CO 0.09 0.45 -0.13 -0.36 0.00 0.00 0.00 175.10 175.15 1qhb s PHE 510 N 1.23 2.48 0.23 5.22 0.08 -1.26 -0.82 117.98 125.13 1qhb s PHE 510 Ca 0.03 -0.28 0.00 0.00 0.12 0.00 0.00 56.93 56.80 1qhb s PHE 510 Cb -0.14 -1.13 -0.04 0.00 -0.57 0.00 0.00 43.02 41.14 1qhb s PHE 510 CO -0.02 0.62 0.18 -1.21 -0.10 0.00 0.00 175.22 174.68 1qhb s GLU 511 N -3.31 1.34 -0.03 0.44 2.02 -0.40 -4.74 118.70 114.02 1qhb s GLU 511 Ca 0.28 -1.70 -0.21 0.00 0.02 0.00 0.00 54.97 53.36 1qhb s GLU 511 Cb -0.07 0.29 -0.05 0.00 0.10 0.00 0.00 34.13 34.41 1qhb s GLU 511 CO 0.16 -0.46 0.59 0.08 0.02 0.00 0.00 175.26 175.65 1qhb s VAL 512 N -3.99 4.97 0.49 2.63 1.01 -1.26 -0.55 120.40 123.70 1qhb s VAL 512 Ca 0.39 1.23 -0.24 0.00 0.00 0.00 0.00 61.98 63.36 1qhb s VAL 512 Cb 0.06 -3.93 -0.07 0.00 0.00 0.00 0.00 36.38 32.44 1qhb s VAL 512 CO 0.15 0.38 1.39 -0.62 0.00 0.00 0.00 175.10 176.40 1qhb s ASP 513 N 0.08 5.64 0.46 3.32 2.15 -0.03 -4.78 116.67 123.50 1qhb s ASP 513 Ca 0.31 2.84 0.26 0.00 0.43 0.00 0.00 52.55 56.39 1qhb s ASP 513 Cb -0.18 -2.64 0.94 0.00 -0.30 0.00 0.00 42.92 40.74 1qhb s ASP 513 CO 0.16 -1.33 1.83 0.71 -0.17 0.00 0.00 175.17 176.37 1qhb h THR 514 N 1.94 0.42 0.00 1.71 1.35 -1.91 -3.37 112.91 113.05 1qhb h THR 514 Ca -0.51 -1.04 -0.28 0.00 -0.55 0.00 0.00 66.41 64.04 1qhb h THR 514 Cb 1.28 1.76 -0.05 0.00 -1.73 0.00 0.00 68.15 69.41 1qhb h THR 514 CO 0.59 0.17 -2.05 0.47 -0.25 0.00 0.00 175.52 174.46 1qhb n ASP 515 N -3.30 2.36 -4.61 5.36 8.00 -1.26 -5.05 116.55 118.04 1qhb n ASP 515 Ca 0.01 -0.08 -0.25 0.00 0.71 0.00 0.00 54.79 55.17 1qhb n ASP 515 Cb 0.42 -0.10 -0.09 0.00 -0.02 0.00 0.00 41.12 41.34 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 -2.37 2.02 -1.42 -1.24 2.02 -1.26 -5.04 118.70 111.41 1qhb s GLU 516 Ca -0.22 -1.79 -0.13 0.00 0.02 0.00 0.00 54.97 52.85 1qhb s GLU 516 Cb 0.06 -1.88 0.06 0.00 0.10 0.00 0.00 34.13 32.47 1qhb s GLU 516 CO 0.46 0.14 2.15 -3.47 0.02 0.00 0.00 175.26 174.56 1qhb n ASP 517 N -0.92 4.11 -3.93 -0.19 2.03 -1.26 -4.20 116.55 112.20 1qhb n ASP 517 Ca -0.04 -2.89 -0.09 0.00 0.52 0.00 0.00 54.79 52.28 1qhb n ASP 517 Cb 0.63 -1.63 -0.06 0.00 -0.72 0.00 0.00 41.12 39.34 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 2.72 1.34 0.03 -0.67 -2.85 -1.26 -4.87 119.74 114.18 1qhb s LYS 518 Ca 0.46 -1.14 -0.18 0.00 -1.00 0.00 0.00 55.97 54.10 1qhb s LYS 518 Cb 0.13 0.44 -0.06 0.00 -2.06 0.00 0.00 37.83 36.28 1qhb s LYS 518 CO -0.07 -0.53 0.53 -0.51 0.10 0.00 0.00 175.35 174.87 1qhb s LEU 519 N -2.97 4.48 0.12 2.77 1.43 -1.26 -0.85 118.68 122.39 1qhb s LEU 519 Ca 0.18 1.14 0.05 0.00 -1.03 0.00 0.00 54.13 54.47 1qhb s LEU 519 Cb 0.01 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 1qhb s LEU 519 CO 0.03 0.24 -0.13 0.68 0.23 0.00 0.00 176.35 177.40 1qhb s VAL 520 N -0.82 1.20 0.26 -1.59 -7.23 0.28 -4.85 120.40 107.66 1qhb s VAL 520 Ca 0.28 -1.71 -0.31 0.00 -1.81 0.00 0.00 61.98 58.44 1qhb s VAL 520 Cb -0.18 -1.49 -0.11 0.00 0.56 0.00 0.00 36.38 35.16 1qhb s VAL 520 CO 0.17 -0.47 1.61 -0.75 -0.31 0.00 0.00 175.10 175.35 1qhb s LYS 521 N -2.75 4.14 0.82 4.82 2.20 -1.26 -1.28 119.74 126.44 1qhb s LYS 521 Ca 0.08 2.55 -0.12 0.00 -0.36 0.00 0.00 55.97 58.12 1qhb s LYS 521 Cb -0.04 -3.05 0.08 0.00 -1.51 0.00 0.00 37.83 33.31 1qhb s LYS 521 CO 0.02 -0.65 1.10 0.45 -0.36 0.00 0.00 175.35 175.91 1qhb s SER 522 N 0.71 4.28 0.25 1.43 0.15 -0.00 -4.76 113.70 115.77 1qhb s SER 522 Ca 0.66 1.29 0.23 0.00 0.70 0.00 0.00 55.95 58.84 1qhb s SER 522 Cb -0.48 -2.01 0.24 0.00 -1.71 0.00 0.00 66.02 62.06 1qhb s SER 522 CO 0.42 -2.10 1.32 0.77 1.20 0.00 0.00 173.24 174.85 1qhb h SER 523 N -1.18 0.00 -2.82 5.45 4.64 -1.93 -3.43 113.55 114.29 1qhb h SER 523 Ca -0.48 -0.04 -0.54 0.00 -0.47 0.00 0.00 61.79 60.26 1qhb h SER 523 Cb 1.28 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1qhb h SER 523 CO 0.59 0.02 0.90 0.12 -0.87 0.00 0.00 176.83 177.60 1qhb s PHE 524 N -3.26 2.66 0.16 4.77 5.36 -1.26 -4.92 117.98 121.50 1qhb s PHE 524 Ca 0.04 0.62 -0.14 0.00 -0.96 0.00 0.00 56.93 56.48 1qhb s PHE 524 Cb 0.09 -3.78 0.04 0.00 -0.34 0.00 0.00 43.02 39.04 1qhb s PHE 524 CO 0.73 -3.01 1.75 -1.35 -1.46 0.00 0.00 175.22 171.88 1qhb h PRO 525 N 8.07 0.72 0.00 10.12 0.11 -1.99 -3.45 132.00 145.58 1qhb h PRO 525 Ca -0.39 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1qhb h PRO 525 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1qhb h PRO 525 CO 0.92 0.58 0.00 0.41 -0.21 0.00 0.00 178.00 179.70 1qhb n GLY 526 N -0.96 -1.82 3.92 -0.55 0.00 -1.26 -4.81 105.19 99.71 1qhb n GLY 526 Ca 0.02 -1.95 -0.28 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.03 1.75 0.38 1.61 0.04 -1.26 -5.13 135.00 132.36 1qhb s PRO 527 Ca 0.00 -0.12 0.08 0.00 0.04 0.00 0.00 61.00 61.00 1qhb s PRO 527 Cb 0.00 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 1qhb s PRO 527 CO 0.00 -1.67 0.11 -0.51 0.04 0.00 0.00 177.00 174.98 1qhb s LEU 528 N -5.55 3.09 0.27 -3.56 1.43 -0.36 -4.92 118.68 109.08 1qhb s LEU 528 Ca 0.64 -1.02 0.10 0.00 -1.03 0.00 0.00 54.13 52.82 1qhb s LEU 528 Cb -0.09 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 1qhb s LEU 528 CO 0.49 -0.41 -0.02 0.42 0.23 0.00 0.00 176.35 177.06 1qhb s THR 529 N -2.55 3.39 0.20 5.49 -4.23 -1.26 0.20 115.64 116.87 1qhb s THR 529 Ca 0.38 -1.94 -0.11 0.00 -1.18 0.00 0.00 61.69 58.84 1qhb s THR 529 Cb 0.02 -2.81 0.12 0.00 1.34 0.00 0.00 72.50 71.17 1qhb s THR 529 CO 0.21 -0.37 1.85 0.58 -0.54 0.00 0.00 174.62 176.35 1qhb h VAL 530 N 1.92 1.11 -0.34 2.29 2.07 -1.26 -1.69 116.25 120.36 1qhb h VAL 530 Ca -0.44 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1qhb h VAL 530 Cb 1.25 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1qhb h VAL 530 CO 0.60 0.15 0.17 0.00 0.02 0.00 0.00 177.57 178.51 1qhb h ALA 531 N 1.27 0.44 -0.19 1.67 0.00 -0.70 0.30 119.26 122.04 1qhb h ALA 531 Ca 0.25 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1qhb h ALA 531 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1qhb h ALA 531 CO -0.09 -0.01 -0.29 0.78 0.00 0.00 0.00 179.25 179.64 1qhb h GLY 532 N 0.42 0.40 2.00 0.00 0.00 -1.73 -0.48 103.07 103.68 1qhb h GLY 532 Ca 0.12 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1qhb h GLY 532 CO -0.02 0.30 -0.08 0.83 0.00 0.00 0.00 176.54 177.58 1qhb h GLU 533 N 0.32 0.00 0.24 4.80 4.39 -1.07 -0.30 114.58 122.96 1qhb h GLU 533 Ca 0.04 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.42 1qhb h GLU 533 Cb 0.69 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.37 1qhb h GLU 533 CO 0.05 0.08 -1.41 -0.07 -1.16 0.00 0.00 179.01 176.50 1qhb h LEU 534 N 0.00 0.80 -0.53 1.33 3.38 -0.75 -2.29 115.31 117.25 1qhb h LEU 534 Ca -0.00 -0.93 -0.01 0.00 0.09 0.00 0.00 57.88 57.03 1qhb h LEU 534 Cb 1.00 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1qhb h LEU 534 CO 0.01 1.68 0.29 0.78 0.09 0.00 0.00 178.44 181.29 1qhb h ASN 535 N 0.08 0.67 -0.63 -0.43 2.35 -1.07 -1.27 115.58 115.28 1qhb h ASN 535 Ca -0.25 -0.10 0.05 0.00 -0.55 0.00 0.00 56.30 55.45 1qhb h ASN 535 Cb 2.11 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 40.26 1qhb h ASN 535 CO 0.26 0.58 0.36 0.50 -1.65 0.00 0.00 177.43 177.47 1qhb h LYS 536 N 0.72 0.66 -0.54 0.81 3.64 -1.08 -0.71 116.57 120.07 1qhb h LYS 536 Ca 0.19 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1qhb h LYS 536 Cb 0.06 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 1qhb h LYS 536 CO -0.03 0.44 0.32 1.25 -2.27 0.00 0.00 179.45 179.15 1qhb h LEU 537 N 0.68 0.66 -0.44 5.20 5.85 -1.04 0.34 115.31 126.55 1qhb h LEU 537 Ca 0.27 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.97 1qhb h LEU 537 Cb 0.13 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1qhb h LEU 537 CO -0.16 0.53 0.20 0.00 -0.34 0.00 0.00 178.44 178.67 1qhb h ALA 538 N 1.15 0.54 -0.64 1.25 0.00 -0.91 -0.70 119.26 119.96 1qhb h ALA 538 Ca 0.19 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1qhb h ALA 538 Cb 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1qhb h ALA 538 CO -0.03 -0.17 0.17 -0.44 0.00 0.00 0.00 179.25 178.78 1qhb h ASP 539 N 0.40 0.93 -0.46 0.00 3.32 -0.57 -2.07 116.42 117.97 1qhb h ASP 539 Ca 0.20 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1qhb h ASP 539 Cb 0.13 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1qhb h ASP 539 CO -0.16 0.89 0.19 0.78 -1.72 0.00 0.00 179.24 179.22 1qhb h ASN 540 N 0.96 0.63 -0.42 6.45 -0.26 0.36 0.10 115.58 123.40 1qhb h ASN 540 Ca 0.21 -0.16 -0.11 0.00 -0.56 0.00 0.00 56.30 55.68 1qhb h ASN 540 Cb 0.31 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.40 1qhb h ASN 540 CO -0.00 0.61 -0.16 0.58 -1.06 0.00 0.00 177.43 177.40 1qhb h VAL 541 N 0.60 1.28 -0.09 2.81 2.07 -1.03 0.10 116.25 121.99 1qhb h VAL 541 Ca 0.15 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 1qhb h VAL 541 Cb 0.18 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1qhb h VAL 541 CO -0.01 0.44 -0.02 0.00 0.02 0.00 0.00 177.57 177.99 1qhb h ALA 542 N 0.83 0.12 0.00 1.67 0.00 -1.31 -2.94 119.26 117.63 1qhb h ALA 542 Ca 0.10 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1qhb h ALA 542 Cb 0.71 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1qhb h ALA 542 CO 0.05 -0.15 -0.40 0.82 0.00 0.00 0.00 179.25 179.58 1qhb h ILE 543 N -0.16 1.03 -0.82 0.00 1.08 -0.81 -1.93 117.51 115.90 1qhb h ILE 543 Ca 0.02 -1.50 0.18 0.00 -0.39 0.00 0.00 64.86 63.17 1qhb h ILE 543 Cb 0.43 1.87 -0.06 0.00 -3.07 0.00 0.00 36.82 35.99 1qhb h ILE 543 CO 0.01 0.39 0.55 1.23 -0.69 0.00 0.00 178.15 179.64 1qhb h GLY 544 N 1.73 0.76 1.84 5.37 0.00 -0.61 -0.59 103.07 111.58 1qhb h GLY 544 Ca -0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.03 1qhb h GLY 544 CO 0.05 0.03 -0.52 3.21 0.00 0.00 0.00 176.54 179.31 1qhb h ARG 545 N 0.40 0.17 -0.44 4.80 2.47 -1.33 -2.12 114.38 118.33 1qhb h ARG 545 Ca 0.42 -0.10 -0.09 0.00 -1.26 0.00 0.00 59.98 58.95 1qhb h ARG 545 Cb 1.01 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.33 1qhb h ARG 545 CO -0.14 0.65 -0.08 -0.91 0.56 0.00 0.00 179.97 180.04 1qhb h ASN 546 N 0.13 0.84 0.39 7.04 4.21 -1.26 -1.15 115.58 125.77 1qhb h ASN 546 Ca 0.00 -0.35 -0.04 0.00 1.21 0.00 0.00 56.30 57.12 1qhb h ASN 546 Cb 0.96 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.92 1qhb h ASN 546 CO 0.08 1.00 -0.17 0.24 -1.29 0.00 0.00 177.43 177.28 1qhb h MET 547 N 0.68 0.00 0.00 0.81 2.86 -0.87 0.39 114.93 118.80 1qhb h MET 547 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1qhb h MET 547 Cb 0.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1qhb h MET 547 CO 0.04 0.17 -0.14 0.00 1.06 0.00 0.00 176.91 178.04 1qhb n ALA 548 N -2.33 2.44 -0.10 6.32 0.00 -0.82 -4.68 120.51 121.34 1qhb n ALA 548 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1qhb n ALA 548 Cb 0.28 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 1.33 0.91 0.71 0.00 0.00 0.14 -1.97 105.19 106.30 1qhb n GLY 549 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.09 0.14 -3.91 1.61 0.24 -0.50 -4.18 118.33 109.64 1qhb n VAL 550 Ca 0.00 -0.57 -0.09 0.00 -2.04 0.00 0.00 64.34 61.64 1qhb n VAL 550 Cb 0.00 1.23 -0.07 0.00 -1.47 0.00 0.00 33.84 33.53 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 -1.34 0.27 0.33 6.34 4.02 -1.24 -4.63 115.29 119.05 1qhb s HIS 551 Ca 0.22 -0.67 0.07 0.00 1.02 0.00 0.00 55.06 55.70 1qhb s HIS 551 Cb 0.15 -0.05 -0.02 0.00 -1.02 0.00 0.00 32.58 31.64 1qhb s HIS 551 CO 0.21 -0.64 0.38 0.71 1.02 0.00 0.00 174.74 176.42 1qhb s TYR 552 N -3.92 3.01 0.19 1.40 1.51 -1.26 -4.31 117.35 113.98 1qhb s TYR 552 Ca 0.11 -0.26 -0.14 0.00 -1.01 0.00 0.00 57.07 55.77 1qhb s TYR 552 Cb 0.04 -1.89 0.19 0.00 -0.11 0.00 0.00 41.96 40.19 1qhb s TYR 552 CO -0.05 0.09 1.65 0.35 -1.11 0.00 0.00 175.55 176.48 1qhb h PHE 553 N 1.08 -0.26 -0.09 2.71 3.57 -1.99 -2.59 116.94 119.38 1qhb h PHE 553 Ca -0.45 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.06 1qhb h PHE 553 Cb 1.25 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 40.19 1qhb h PHE 553 CO 0.48 -0.22 -0.11 0.66 -2.23 0.00 0.00 178.31 176.88 1qhb h SER 554 N 0.01 0.12 -0.43 0.41 4.64 -1.97 -1.77 113.55 114.56 1qhb h SER 554 Ca 0.26 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1qhb h SER 554 Cb 0.41 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 1qhb h SER 554 CO -0.55 0.25 0.26 0.44 -0.87 0.00 0.00 176.83 176.36 1qhb h ASP 555 N 0.12 0.52 0.32 4.97 3.32 -1.78 -2.06 116.42 121.83 1qhb h ASP 555 Ca 0.03 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1qhb h ASP 555 Cb 0.28 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1qhb h ASP 555 CO 0.02 0.42 -0.16 1.56 -1.72 0.00 0.00 179.24 179.36 1qhb h GLN 556 N 0.57 -0.42 -0.30 3.56 1.08 -1.34 -2.68 115.11 115.58 1qhb h GLN 556 Ca 0.15 0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.41 1qhb h GLN 556 Cb -0.00 0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 1qhb h GLN 556 CO -0.03 -0.09 0.13 0.35 -0.95 0.00 0.00 178.83 178.25 1qhb h PHE 557 N -0.90 0.24 -0.28 2.96 3.57 -1.40 -0.21 116.94 120.93 1qhb h PHE 557 Ca -0.04 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 1qhb h PHE 557 Cb 0.52 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1qhb h PHE 557 CO 0.04 0.13 -0.04 0.93 -2.23 0.00 0.00 178.31 177.14 1qhb h GLU 558 N 0.29 0.44 -0.07 1.11 4.39 -1.49 -2.51 114.58 116.74 1qhb h GLU 558 Ca 0.13 -0.09 -0.16 0.00 0.34 0.00 0.00 59.36 59.57 1qhb h GLU 558 Cb 0.06 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1qhb h GLU 558 CO -0.10 0.50 -0.68 0.77 -1.16 0.00 0.00 179.01 178.34 1qhb h SER 559 N 0.42 0.34 -0.32 1.42 0.02 -1.07 -2.50 113.55 111.86 1qhb h SER 559 Ca 0.09 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1qhb h SER 559 Cb 0.34 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1qhb h SER 559 CO 0.01 0.92 0.19 -0.07 -1.14 0.00 0.00 176.83 176.74 1qhb h LEU 560 N 0.21 0.39 -1.23 5.07 3.38 -0.63 -1.46 115.31 121.05 1qhb h LEU 560 Ca -0.02 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1qhb h LEU 560 Cb 1.22 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 1qhb h LEU 560 CO 0.11 0.33 0.23 -0.07 0.09 0.00 0.00 178.44 179.13 1qhb h LEU 561 N 0.41 0.69 -0.67 1.67 3.38 -1.37 -2.18 115.31 117.25 1qhb h LEU 561 Ca 0.12 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1qhb h LEU 561 Cb 0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1qhb h LEU 561 CO -0.02 0.61 -0.08 0.25 0.09 0.00 0.00 178.44 179.30 1qhb h LEU 562 N 0.76 0.95 -0.75 1.67 5.85 -1.08 -2.54 115.31 120.17 1qhb h LEU 562 Ca 0.18 -0.29 -0.13 0.00 0.84 0.00 0.00 57.88 58.48 1qhb h LEU 562 Cb 0.13 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1qhb h LEU 562 CO -0.02 1.05 -0.53 1.23 -0.34 0.00 0.00 178.44 179.83 1qhb h GLY 563 N 0.97 0.26 0.95 3.75 0.00 -0.95 -2.16 103.07 105.89 1qhb h GLY 563 Ca 0.14 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.19 1qhb h GLY 563 CO 0.04 0.27 0.29 -2.09 0.00 0.00 0.00 176.54 175.05 1qhb h GLU 564 N 0.19 0.57 -0.71 4.80 4.81 -1.15 -1.69 114.58 121.41 1qhb h GLU 564 Ca 0.00 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1qhb h GLU 564 Cb 1.00 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 1qhb h GLU 564 CO 0.08 0.38 0.31 1.96 -0.73 0.00 0.00 179.01 181.01 1qhb h GLN 565 N 0.59 1.02 -0.19 1.92 4.20 -1.02 -1.72 115.11 119.92 1qhb h GLN 565 Ca 0.18 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1qhb h GLN 565 Cb -0.03 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 1qhb h GLN 565 CO -0.06 0.81 0.04 0.82 -0.67 0.00 0.00 178.83 179.77 1qhb h ILE 566 N 1.01 1.21 -0.41 2.54 1.08 -1.09 -1.52 117.51 120.33 1qhb h ILE 566 Ca 0.24 -0.68 0.00 0.00 -0.39 0.00 0.00 64.86 64.04 1qhb h ILE 566 Cb 0.14 1.30 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 1qhb h ILE 566 CO -0.03 0.21 0.27 0.00 -0.69 0.00 0.00 178.15 177.91 1qhb h ALA 567 N 0.85 0.52 -0.84 1.87 0.00 -1.15 -1.95 119.26 118.56 1qhb h ALA 567 Ca 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1qhb h ALA 567 Cb 0.28 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1qhb h ALA 567 CO 0.00 -0.02 0.48 0.82 0.00 0.00 0.00 179.25 180.53 1qhb h ILE 568 N 0.56 1.24 -0.78 0.00 2.04 -1.28 -1.10 117.51 118.18 1qhb h ILE 568 Ca 0.15 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1qhb h ILE 568 Cb -0.06 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.08 1qhb h ILE 568 CO -0.03 0.27 0.49 1.23 0.00 0.00 0.00 178.15 180.11 1qhb h GLY 569 N 1.17 1.11 0.91 5.37 0.00 -0.93 -0.91 103.07 109.78 1qhb h GLY 569 Ca 0.30 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 1qhb h GLY 569 CO -0.05 0.43 0.04 -2.22 0.00 0.00 0.00 176.54 174.73 1qhb h ILE 570 N 1.06 1.25 -0.78 2.60 2.04 -1.06 -2.18 117.51 120.44 1qhb h ILE 570 Ca 0.28 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 1qhb h ILE 570 Cb -0.08 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1qhb h ILE 570 CO -0.06 0.29 0.40 -0.07 0.00 0.00 0.00 178.15 178.72 1qhb h LEU 571 N 0.40 1.00 -0.75 1.44 3.38 -0.92 -0.85 115.31 119.01 1qhb h LEU 571 Ca 0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1qhb h LEU 571 Cb 0.39 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1qhb h LEU 571 CO 0.01 0.84 0.42 -0.33 0.09 0.00 0.00 178.44 179.47 1qhb h GLU 572 N 1.10 1.04 -0.37 1.13 5.08 -1.01 -1.88 114.58 119.67 1qhb h GLU 572 Ca 0.27 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.39 1qhb h GLU 572 Cb 0.08 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1qhb h GLU 572 CO -0.04 0.76 -0.27 0.93 -1.00 0.00 0.00 179.01 179.39 1qhb h GLU 573 N 1.03 0.77 0.00 2.33 5.08 -1.13 -2.90 114.58 119.76 1qhb h GLU 573 Ca 0.27 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1qhb h GLU 573 Cb 0.01 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1qhb h GLU 573 CO -0.04 0.95 0.00 1.96 -1.00 0.00 0.00 179.01 180.87 1qhb h GLN 574 N 0.66 0.00 0.00 2.33 4.20 -0.95 -2.98 115.11 118.37 1qhb h GLN 574 Ca 0.08 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 1qhb h GLN 574 Cb 0.79 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 1qhb h GLN 574 CO 0.07 0.00 -0.01 0.66 -0.67 0.00 0.00 178.83 178.88 1qhb h SER 575 N 0.00 0.00 0.80 1.46 4.64 -1.13 -1.81 113.55 117.52 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 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1qhb h SER 575 CO 0.00 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 176.15 1qhb n LEU 576 N -3.10 0.22 0.08 5.97 4.77 -1.12 -3.62 117.00 120.20 1qhb n LEU 576 Ca -0.00 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 56.64 1qhb n LEU 576 Cb 0.27 -0.49 0.13 0.00 -2.33 0.00 0.00 43.42 41.00 1qhb n LEU 576 CO 0.26 -0.23 0.29 0.71 -1.33 0.00 0.00 177.39 177.09 1qhb h THR 577 N 0.00 0.00 -2.96 -5.08 1.35 -1.55 -3.47 112.91 101.20 1qhb h THR 577 Ca 0.00 -0.64 -0.62 0.00 -0.55 0.00 0.00 66.41 64.61 1qhb h THR 577 Cb 0.40 1.21 -0.05 0.00 -1.73 0.00 0.00 68.15 67.99 1qhb h THR 577 CO 0.00 0.00 -0.37 -0.31 -0.25 0.00 0.00 175.52 174.59 1qhb s TYR 578 N -3.22 3.56 -0.37 4.73 2.02 -1.24 -5.01 117.35 117.83 1qhb s TYR 578 Ca 0.05 0.57 0.22 0.00 -0.37 0.00 0.00 57.07 57.53 1qhb s TYR 578 Cb 0.12 -1.99 -0.14 0.00 -0.40 0.00 0.00 41.96 39.55 1qhb s TYR 578 CO 0.74 0.58 0.80 0.41 -1.57 0.00 0.00 175.55 176.51 1qhb n GLY 579 N 0.90 -1.15 3.67 0.71 0.00 -1.26 -4.97 105.19 103.10 1qhb n GLY 579 Ca -0.09 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.33 0.87 -0.43 1.61 8.01 -1.26 -4.99 118.70 119.19 1qhb s GLU 580 Ca -0.01 1.01 -0.12 0.00 0.01 0.00 0.00 54.97 55.85 1qhb s GLU 580 Cb 0.14 -1.75 0.06 0.00 -4.31 0.00 0.00 34.13 28.27 1qhb s GLU 580 CO 0.85 -2.56 0.31 1.21 0.01 0.00 0.00 175.26 175.07 1qhb s ASN 581 N -3.09 5.89 0.19 -0.19 2.47 -1.26 -5.00 114.94 113.95 1qhb s ASN 581 Ca 0.65 -1.30 -0.22 0.00 0.42 0.00 0.00 52.86 52.41 1qhb s ASN 581 Cb -0.20 -2.08 0.08 0.00 -1.45 0.00 0.00 41.25 37.59 1qhb s ASN 581 CO 0.59 -0.55 1.03 0.72 -3.72 0.00 0.00 177.10 175.17 1qhb s PHE 582 N 1.55 0.07 0.09 0.43 -0.71 -1.26 -4.75 117.98 113.40 1qhb s PHE 582 Ca 0.03 -0.47 -0.25 0.00 -1.04 0.00 0.00 56.93 55.20 1qhb s PHE 582 Cb -0.22 0.70 0.08 0.00 -1.21 0.00 0.00 43.02 42.37 1qhb s PHE 582 CO 0.05 -0.94 0.72 -0.59 -1.34 0.00 0.00 175.22 173.12 1qhb s PHE 583 N -2.21 -0.46 -0.15 3.49 -0.71 -1.21 -4.99 117.98 111.73 1qhb s PHE 583 Ca 0.21 0.28 -0.14 0.00 -1.04 0.00 0.00 56.93 56.25 1qhb s PHE 583 Cb -0.03 0.55 -0.05 0.00 -1.21 0.00 0.00 43.02 42.29 1qhb s PHE 583 CO 0.05 -0.72 0.30 -0.06 -1.34 0.00 0.00 175.22 173.45 1qhb s PHE 584 N -3.49 3.48 -0.39 3.49 0.08 -1.26 -4.14 117.98 115.74 1qhb s PHE 584 Ca 0.03 0.62 -0.20 0.00 0.12 0.00 0.00 56.93 57.50 1qhb s PHE 584 Cb -0.01 -2.34 0.01 0.00 -0.57 0.00 0.00 43.02 40.11 1qhb s PHE 584 CO -0.11 0.26 0.61 1.21 -0.10 0.00 0.00 175.22 177.09 1qhb s ASN 585 N 0.39 6.36 -0.19 1.36 2.47 -1.26 -1.22 114.94 122.85 1qhb s ASN 585 Ca 0.17 -0.09 0.01 0.00 0.42 0.00 0.00 52.86 53.37 1qhb s ASN 585 Cb -0.13 -2.31 0.04 0.00 -1.45 0.00 0.00 41.25 37.40 1qhb s ASN 585 CO 0.04 -0.65 -0.10 -0.22 -3.72 0.00 0.00 177.10 172.45 1qhb s LEU 586 N 2.69 2.14 -0.37 3.21 2.96 -0.37 -4.34 118.68 124.59 1qhb s LEU 586 Ca 0.22 -0.81 -0.29 0.00 -0.22 0.00 0.00 54.13 53.03 1qhb s LEU 586 Cb -0.15 -1.19 0.01 0.00 0.50 0.00 0.00 46.19 45.36 1qhb s LEU 586 CO 0.16 -0.14 1.28 -2.16 -1.32 0.00 0.00 176.35 174.18 1qhb s PRO 587 N 1.43 3.80 0.84 0.98 0.04 -1.26 -1.44 135.00 139.39 1qhb s PRO 587 Ca -0.00 1.02 -0.12 0.00 0.04 0.00 0.00 61.00 61.94 1qhb s PRO 587 Cb -0.16 -3.91 0.10 0.00 0.04 0.00 0.00 34.50 30.57 1qhb s PRO 587 CO -0.08 -1.27 1.17 0.15 0.04 0.00 0.00 177.00 177.00 1qhb s LYS 588 N 4.39 1.71 0.62 4.56 1.02 0.68 -4.95 119.74 127.77 1qhb s LYS 588 Ca 0.55 0.17 0.39 0.00 0.02 0.00 0.00 55.97 57.10 1qhb s LYS 588 Cb -0.14 -1.92 2.02 0.00 -0.52 0.00 0.00 37.83 37.28 1qhb s LYS 588 CO 0.27 -1.79 2.23 0.74 -0.92 0.00 0.00 175.35 175.89 1qhb h PHE 589 N -1.20 0.00 -0.04 3.18 0.04 -1.95 -2.32 116.94 114.66 1qhb h PHE 589 Ca -0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.30 1qhb h PHE 589 Cb 1.33 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.48 1qhb h PHE 589 CO 0.31 0.01 0.00 -0.40 -0.60 0.00 0.00 178.31 177.63 1qhb n ASP 590 N -3.18 1.41 0.00 2.17 5.68 -1.26 -4.59 116.55 116.78 1qhb n ASP 590 Ca -0.02 -1.50 0.00 0.00 -0.50 0.00 0.00 54.79 52.77 1qhb n ASP 590 Cb 0.15 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 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 1.15 0.54 3.91 6.12 0.00 -0.87 -5.05 105.19 110.99 1qhb n GLY 591 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.25 3.42 -0.06 2.61 -4.23 -1.26 -4.87 115.64 109.00 1qhb s THR 592 Ca 0.00 -1.23 0.02 0.00 -1.18 0.00 0.00 61.69 59.31 1qhb s THR 592 Cb 0.00 -3.18 -0.03 0.00 1.34 0.00 0.00 72.50 70.63 1qhb s THR 592 CO 0.00 -0.11 -0.11 -0.89 -0.54 0.00 0.00 174.62 172.96 1qhb s THR 593 N -2.31 3.30 -0.03 3.99 2.01 -1.26 -0.23 115.64 121.11 1qhb s THR 593 Ca 0.45 -0.63 0.07 0.00 0.31 0.00 0.00 61.69 61.89 1qhb s THR 593 Cb -0.07 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 1qhb s THR 593 CO 0.29 0.59 -0.22 -0.51 -0.69 0.00 0.00 174.62 174.08 1qhb s ILE 594 N -0.72 2.41 -0.20 1.82 2.07 -0.52 -4.95 121.20 121.12 1qhb s ILE 594 Ca 0.11 -0.99 -0.05 0.00 -1.41 0.00 0.00 60.65 58.31 1qhb s ILE 594 Cb -0.11 -1.88 -0.03 0.00 0.13 0.00 0.00 42.46 40.57 1qhb s ILE 594 CO 0.01 0.57 -0.00 -1.10 -1.91 0.00 0.00 174.94 172.51 1qhb s GLN 595 N -0.68 3.64 0.00 3.50 -0.21 -1.26 -1.24 119.66 123.40 1qhb s GLN 595 Ca 0.11 -0.51 0.00 0.00 0.02 0.00 0.00 55.36 54.97 1qhb s GLN 595 Cb -0.10 -3.07 0.00 0.00 1.00 0.00 0.00 33.01 30.84 1qhb s GLN 595 CO -0.00 0.05 0.48 -0.89 -2.12 0.00 0.00 175.29 172.80