#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 4.78 0.38 -0.61 1.01 -1.26 -4.99 121.20 120.51 1qhb s ILE 3 Ca 0.00 1.92 -0.24 0.00 0.00 0.00 0.00 60.65 62.32 1qhb s ILE 3 Cb 0.00 -4.26 -0.12 0.00 0.01 0.00 0.00 42.46 38.09 1qhb s ILE 3 CO 0.00 -0.04 0.78 -2.65 0.00 0.00 0.00 174.94 173.03 1qhb n PRO 4 N 5.43 0.91 -3.93 2.79 -0.02 -1.26 -4.97 135.00 133.96 1qhb n PRO 4 Ca 0.08 0.33 -0.11 0.00 -2.02 0.00 0.00 63.50 61.78 1qhb n PRO 4 Cb 0.48 -1.70 -0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1qhb n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qhb s ALA 5 N -1.30 -0.08 0.14 3.55 0.00 -1.26 -5.17 121.76 117.65 1qhb s ALA 5 Ca 0.62 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 51.56 1qhb s ALA 5 Cb -0.63 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 1qhb s ALA 5 CO 0.58 -0.90 -0.16 0.34 0.00 0.00 0.00 175.76 175.62 1qhb s ASP 6 N -3.15 2.28 0.28 0.00 -1.08 -1.26 -5.15 116.67 108.58 1qhb s ASP 6 Ca 0.22 -0.84 0.09 0.00 -0.52 0.00 0.00 52.55 51.49 1qhb s ASP 6 Cb -0.03 -0.10 -0.04 0.00 -1.46 0.00 0.00 42.92 41.28 1qhb s ASP 6 CO 0.16 -0.11 0.07 0.54 0.52 0.00 0.00 175.17 176.35 1qhb s ASN 7 N -2.58 4.80 0.42 -0.34 4.22 -1.26 -5.13 114.94 115.07 1qhb s ASN 7 Ca 0.12 -0.58 0.01 0.00 -2.14 0.00 0.00 52.86 50.28 1qhb s ASN 7 Cb -0.05 -0.95 -0.01 0.00 1.28 0.00 0.00 41.25 41.52 1qhb s ASN 7 CO 0.04 -0.06 0.62 -0.76 -2.04 0.00 0.00 177.10 174.91 1qhb s LEU 8 N -3.74 3.74 0.26 3.54 1.43 -1.26 -5.12 118.68 117.53 1qhb s LEU 8 Ca 0.33 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.67 1qhb s LEU 8 Cb -0.06 -3.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.02 1qhb s LEU 8 CO 0.22 -0.61 0.18 0.00 0.23 0.00 0.00 176.35 176.36 1qhb s GLN 9 N -4.46 1.46 0.81 1.70 -2.07 -1.26 -5.14 119.66 110.70 1qhb s GLN 9 Ca 0.47 -1.81 -0.13 0.00 -1.82 0.00 0.00 55.36 52.07 1qhb s GLN 9 Cb -0.10 0.18 0.09 0.00 -1.09 0.00 0.00 33.01 32.09 1qhb s GLN 9 CO 0.36 -0.47 1.20 -1.54 -1.32 0.00 0.00 175.29 173.52 1qhb s SER 10 N -3.28 3.55 0.25 12.60 1.04 -1.26 -4.82 113.70 121.78 1qhb s SER 10 Ca 0.39 2.35 -0.04 0.00 0.48 0.00 0.00 55.95 59.12 1qhb s SER 10 Cb 0.05 -2.59 0.36 0.00 0.10 0.00 0.00 66.02 63.94 1qhb s SER 10 CO 0.18 -2.69 1.86 -0.09 0.98 0.00 0.00 173.24 173.47 1qhb h ARG 11 N -0.98 1.00 -0.60 4.02 9.65 -2.00 -2.18 114.38 123.29 1qhb h ARG 11 Ca -0.46 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.33 1qhb h ARG 11 Cb 1.29 -0.23 -0.03 0.00 -1.39 0.00 0.00 29.97 29.62 1qhb h ARG 11 CO 0.46 0.66 0.27 0.00 2.80 0.00 0.00 179.97 184.16 1qhb h ALA 12 N 1.42 0.78 -0.19 2.80 0.00 -1.99 -1.14 119.26 120.95 1qhb h ALA 12 Ca 0.39 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 1qhb h ALA 12 Cb 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1qhb h ALA 12 CO -0.17 0.37 -0.51 -0.22 0.00 0.00 0.00 179.25 178.72 1qhb h LYS 13 N 0.83 0.51 -0.34 0.00 1.63 -1.87 -1.21 116.57 116.12 1qhb h LYS 13 Ca 0.20 -0.30 -0.09 0.00 -0.85 0.00 0.00 60.65 59.61 1qhb h LYS 13 Cb 0.16 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 1qhb h LYS 13 CO -0.02 0.90 -0.17 0.00 -3.45 0.00 0.00 179.45 176.71 1qhb h ALA 14 N 1.04 1.07 -0.20 5.00 0.00 -0.92 -0.07 119.26 125.19 1qhb h ALA 14 Ca 0.02 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1qhb h ALA 14 Cb 1.03 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1qhb h ALA 14 CO 0.09 0.57 -0.28 1.03 0.00 0.00 0.00 179.25 180.66 1qhb h SER 15 N 0.56 0.59 -0.31 0.00 0.87 -1.05 -1.07 113.55 113.13 1qhb h SER 15 Ca 0.09 -0.51 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1qhb h SER 15 Cb 0.61 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 1qhb h SER 15 CO 0.04 0.99 0.20 0.15 -0.53 0.00 0.00 176.83 177.68 1qhb h PHE 16 N 0.20 0.40 -0.06 2.24 3.57 -0.98 -2.34 116.94 119.96 1qhb h PHE 16 Ca 0.02 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 1qhb h PHE 16 Cb 0.85 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 1qhb h PHE 16 CO 0.09 0.26 -0.26 -0.44 -2.23 0.00 0.00 178.31 175.73 1qhb h ASP 17 N 0.42 0.10 -0.31 0.41 3.32 -0.96 -2.04 116.42 117.36 1qhb h ASP 17 Ca 0.11 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1qhb h ASP 17 Cb -0.03 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1qhb h ASP 17 CO -0.02 0.37 0.00 0.74 -1.72 0.00 0.00 179.24 178.61 1qhb h THR 18 N 0.10 1.26 -0.62 0.35 2.02 -0.67 -0.61 112.91 114.74 1qhb h THR 18 Ca 0.02 -0.94 -0.06 0.00 0.77 0.00 0.00 66.41 66.19 1qhb h THR 18 Cb 0.52 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1qhb h THR 18 CO 0.04 0.31 0.13 0.03 0.37 0.00 0.00 175.52 176.40 1qhb h ARG 19 N 0.35 0.97 -0.19 6.66 3.08 -1.31 -1.14 114.38 122.81 1qhb h ARG 19 Ca 0.09 -0.22 -0.16 0.00 0.07 0.00 0.00 59.98 59.75 1qhb h ARG 19 Cb 0.44 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1qhb h ARG 19 CO 0.02 0.88 -0.55 0.28 -1.07 0.00 0.00 179.97 179.52 1qhb h VAL 20 N 0.93 1.32 -0.62 2.04 2.07 -1.34 -2.29 116.25 118.35 1qhb h VAL 20 Ca 0.20 -1.80 -0.09 0.00 0.82 0.00 0.00 66.70 65.83 1qhb h VAL 20 Cb 0.35 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1qhb h VAL 20 CO 0.00 0.56 0.04 0.00 0.02 0.00 0.00 177.57 178.20 1qhb h ALA 21 N 0.95 0.90 -0.53 1.67 0.00 -0.68 0.47 119.26 122.03 1qhb h ALA 21 Ca 0.01 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1qhb h ALA 21 Cb 1.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1qhb h ALA 21 CO 0.11 0.66 0.00 0.00 0.00 0.00 0.00 179.25 180.02 1qhb h ALA 22 N 1.05 1.00 -0.60 0.00 0.00 -1.17 -0.95 119.26 118.60 1qhb h ALA 22 Ca 0.18 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1qhb h ALA 22 Cb 0.50 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1qhb h ALA 22 CO 0.02 0.61 0.20 0.00 0.00 0.00 0.00 179.25 180.08 1qhb h ALA 23 N 1.16 0.78 -0.57 0.00 0.00 -0.71 -1.50 119.26 118.42 1qhb h ALA 23 Ca 0.16 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1qhb h ALA 23 Cb 0.49 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1qhb h ALA 23 CO 0.02 0.44 0.04 0.93 0.00 0.00 0.00 179.25 180.68 1qhb h GLU 24 N 0.84 0.94 0.20 0.00 5.08 -0.78 -0.48 114.58 120.39 1qhb h GLU 24 Ca 0.19 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1qhb h GLU 24 Cb 0.27 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1qhb h GLU 24 CO -0.01 0.91 -0.21 1.25 -1.00 0.00 0.00 179.01 179.95 1qhb h LEU 25 N 0.88 -0.55 -0.53 1.33 6.46 -0.79 0.78 115.31 122.88 1qhb h LEU 25 Ca 0.17 0.05 0.03 0.00 -0.12 0.00 0.00 57.88 58.01 1qhb h LEU 25 Cb 0.46 0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.55 1qhb h LEU 25 CO 0.02 -0.31 0.31 0.00 -0.62 0.00 0.00 178.44 177.84 1qhb h ALA 26 N 0.29 0.68 -0.43 1.25 0.00 -1.06 -2.34 119.26 117.65 1qhb h ALA 26 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1qhb h ALA 26 Cb 0.42 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1qhb h ALA 26 CO -0.05 0.02 0.28 1.25 0.00 0.00 0.00 179.25 180.74 1qhb h LEU 27 N 0.62 0.47 -1.68 0.00 5.85 -0.63 -2.55 115.31 117.40 1qhb h LEU 27 Ca 0.22 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1qhb h LEU 27 Cb 0.04 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1qhb h LEU 27 CO -0.10 0.34 0.00 0.00 -0.34 0.00 0.00 178.44 178.34 1qhb h ALA 28 N 1.17 1.00 0.00 1.25 0.00 -0.34 -2.46 119.26 119.88 1qhb h ALA 28 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1qhb h ALA 28 Cb -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1qhb h ALA 28 CO -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 179.25 179.10 1qhb h ARG 29 N 0.00 0.00 0.00 0.00 3.08 -1.05 -3.49 114.38 112.91 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 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1qhb h ARG 29 CO 0.00 0.10 0.00 0.41 -1.07 0.00 0.00 179.97 179.41 1qhb n GLY 30 N -0.71 -0.39 3.13 0.04 0.00 -0.93 -4.98 105.19 101.34 1qhb n GLY 30 Ca -0.02 -1.73 -0.25 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.09 1.43 0.03 4.61 0.00 -1.26 -4.96 121.76 119.51 1qhb s ALA 31 Ca 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1qhb s ALA 31 Cb 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1qhb s ALA 31 CO 0.00 0.28 0.07 0.14 0.00 0.00 0.00 175.76 176.25 1qhb s VAL 32 N -0.06 4.56 0.65 0.00 -7.23 -0.85 -5.04 120.40 112.43 1qhb s VAL 32 Ca -0.01 -0.57 -0.14 0.00 -1.81 0.00 0.00 61.98 59.45 1qhb s VAL 32 Cb -0.10 -3.12 -0.01 0.00 0.56 0.00 0.00 36.38 33.72 1qhb s VAL 32 CO 0.01 0.28 1.07 -2.16 -0.31 0.00 0.00 175.10 173.99 1qhb s PRO 33 N -1.94 3.00 -0.17 4.82 0.04 -1.26 -4.50 135.00 134.99 1qhb s PRO 33 Ca 0.25 1.19 -0.03 0.00 0.04 0.00 0.00 61.00 62.44 1qhb s PRO 33 Cb -0.12 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 1qhb s PRO 33 CO 0.16 -1.07 -0.05 -1.12 0.04 0.00 0.00 177.00 174.97 1qhb s SER 34 N -3.01 4.58 -0.12 6.66 0.01 -1.26 -4.77 113.70 115.79 1qhb s SER 34 Ca 0.63 -0.22 -0.03 0.00 1.31 0.00 0.00 55.95 57.63 1qhb s SER 34 Cb -0.17 -1.75 -0.03 0.00 0.21 0.00 0.00 66.02 64.28 1qhb s SER 34 CO 0.44 0.12 0.01 -0.36 0.41 0.00 0.00 173.24 173.85 1qhb s PHE 35 N 0.67 3.17 0.51 2.43 0.08 -1.26 -5.09 117.98 118.50 1qhb s PHE 35 Ca -0.03 0.09 0.04 0.00 0.12 0.00 0.00 56.93 57.15 1qhb s PHE 35 Cb -0.15 -1.88 0.03 0.00 -0.57 0.00 0.00 43.02 40.45 1qhb s PHE 35 CO 0.02 0.33 0.71 0.00 -0.10 0.00 0.00 175.22 176.18 1qhb s ALA 36 N -0.42 4.13 -1.48 5.36 0.00 -1.26 -3.21 121.76 124.87 1qhb s ALA 36 Ca 0.08 -1.48 0.28 0.00 0.00 0.00 0.00 51.96 50.84 1qhb s ALA 36 Cb -0.12 -1.90 1.43 0.00 0.00 0.00 0.00 23.12 22.52 1qhb s ALA 36 CO 0.02 -0.62 1.96 0.27 0.00 0.00 0.00 175.76 177.39 1qhb n ASN 37 N -2.19 0.00 0.00 0.00 0.23 -1.26 -4.83 115.26 107.20 1qhb n ASN 37 Ca 0.08 -0.18 0.00 0.00 -0.53 0.00 0.00 54.58 53.95 1qhb n ASN 37 Cb 0.60 -0.26 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 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 1.04 0.85 0.15 4.83 0.00 -1.26 -4.93 105.19 105.87 1qhb n GLY 38 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 3.45 0.20 -0.98 1.61 5.08 -1.97 -3.32 114.58 118.65 1qhb h GLU 39 Ca 0.00 -0.16 0.18 0.00 -1.00 0.00 0.00 59.36 58.38 1qhb h GLU 39 Cb 0.00 0.03 -0.18 0.00 0.50 0.00 0.00 28.75 29.11 1qhb h GLU 39 CO 0.00 0.81 -0.30 -1.91 -1.00 0.00 0.00 179.01 176.61 1qhb n GLU 40 N -3.81 -0.14 0.00 2.33 2.13 -1.26 -2.02 120.64 117.87 1qhb n GLU 40 Ca -0.03 1.52 0.08 0.00 0.66 0.00 0.00 57.16 59.40 1qhb n GLU 40 Cb 0.67 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 30.11 1qhb n GLU 40 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1qhb n LEU 41 N -5.54 1.67 0.19 4.31 4.77 -1.26 -4.39 117.00 116.74 1qhb n LEU 41 Ca 0.14 -0.79 -0.15 0.00 -0.03 0.00 0.00 56.01 55.18 1qhb n LEU 41 Cb 0.45 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 1qhb n LEU 41 CO -0.12 0.32 0.74 0.25 -1.33 0.00 0.00 177.39 177.24 1qhb h LEU 42 N 1.88 -0.35 -9.49 2.23 5.85 -1.50 -3.44 115.31 110.49 1qhb h LEU 42 Ca 0.00 -0.03 -0.53 0.00 0.84 0.00 0.00 57.88 58.16 1qhb h LEU 42 Cb 0.55 0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.68 1qhb h LEU 42 CO 0.00 -0.20 0.64 -0.31 -0.34 0.00 0.00 178.44 178.23 1qhb s TYR 43 N -5.90 3.32 0.22 1.25 2.02 -1.25 -5.00 117.35 112.01 1qhb s TYR 43 Ca -0.15 1.15 0.10 0.00 -0.37 0.00 0.00 57.07 57.80 1qhb s TYR 43 Cb 0.04 -3.53 -0.04 0.00 -0.40 0.00 0.00 41.96 38.03 1qhb s TYR 43 CO 0.63 -1.74 -0.14 1.03 -1.57 0.00 0.00 175.55 173.76 1qhb s ARG 44 N 1.21 1.87 -0.14 -0.62 1.81 -1.26 -1.38 118.95 120.43 1qhb s ARG 44 Ca 0.61 -1.47 -0.27 0.00 -1.72 0.00 0.00 55.73 52.88 1qhb s ARG 44 Cb -0.32 -1.99 -0.01 0.00 -0.45 0.00 0.00 34.95 32.17 1qhb s ARG 44 CO 0.29 0.39 0.91 1.21 -0.68 0.00 0.00 175.30 177.42 1qhb s ASN 45 N -3.06 7.09 0.30 0.23 3.84 0.20 -4.69 114.94 118.85 1qhb s ASN 45 Ca 0.26 1.33 -0.01 0.00 0.21 0.00 0.00 52.86 54.66 1qhb s ASN 45 Cb -0.07 -2.50 0.49 0.00 -0.55 0.00 0.00 41.25 38.62 1qhb s ASN 45 CO 0.14 -0.42 1.94 0.28 -2.79 0.00 0.00 177.10 176.25 1qhb h SER 46 N 7.21 0.93 -0.00 -4.21 0.02 -1.95 -0.23 113.55 115.32 1qhb h SER 46 Ca -0.30 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1qhb h SER 46 Cb 1.14 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1qhb h SER 46 CO 0.85 0.63 -0.01 -0.33 -1.14 0.00 0.00 176.83 176.83 1qhb h GLU 47 N 1.07 0.01 0.00 3.45 5.08 -1.97 -3.37 114.58 118.85 1qhb h GLU 47 Ca 0.35 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.63 1qhb h GLU 47 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1qhb h GLU 47 CO -0.10 0.68 -1.28 0.25 -1.00 0.00 0.00 179.01 177.55 1qhb n THR 48 N -4.76 0.80 -0.31 1.13 -2.24 -1.23 -4.97 114.28 102.70 1qhb n THR 48 Ca -0.09 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1qhb n THR 48 Cb 0.34 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 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 1.28 1.49 3.88 3.38 0.00 -0.10 -5.02 105.19 110.10 1qhb n GLY 49 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1qhb n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qhb s ASP 50 N -3.20 5.14 0.39 1.61 1.01 -1.25 -4.62 116.67 115.76 1qhb s ASP 50 Ca 0.00 1.08 -0.26 0.00 0.71 0.00 0.00 52.55 54.08 1qhb s ASP 50 Cb 0.00 -1.81 -0.09 0.00 1.01 0.00 0.00 42.92 42.04 1qhb s ASP 50 CO 0.00 -1.53 1.28 -2.16 0.21 0.00 0.00 175.17 172.97 1qhb s PRO 51 N -5.38 4.03 -0.05 8.23 0.04 -1.26 0.61 135.00 141.22 1qhb s PRO 51 Ca 0.59 2.10 0.21 0.00 0.04 0.00 0.00 61.00 63.94 1qhb s PRO 51 Cb -0.11 -2.78 -0.29 0.00 0.04 0.00 0.00 34.50 31.36 1qhb s PRO 51 CO 0.51 -0.42 0.44 -1.13 0.04 0.00 0.00 177.00 176.45 1qhb n SER 52 N 0.20 0.09 -1.45 6.66 3.41 -0.48 -4.63 113.62 117.42 1qhb n SER 52 Ca 0.03 0.04 -0.14 0.00 -0.26 0.00 0.00 58.87 58.54 1qhb n SER 52 Cb 0.44 1.60 -0.03 0.00 -0.26 0.00 0.00 64.21 65.96 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 -2.42 -0.45 0.35 7.33 3.72 -1.26 -4.34 117.46 120.38 1qhb n PHE 53 Ca -0.10 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.44 1qhb n PHE 53 Cb 0.71 -2.87 0.57 0.00 -0.94 0.00 0.00 39.48 36.95 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 -0.55 4.37 3.07 -1.89 -2.36 117.51 120.15 1qhb h ILE 54 Ca -0.32 -0.38 0.00 0.00 1.55 0.00 0.00 64.86 65.71 1qhb h ILE 54 Cb 1.14 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 38.94 1qhb h ILE 54 CO 0.41 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.12 1qhb n GLY 55 N 0.07 1.83 3.53 0.16 0.00 -1.26 -4.95 105.19 104.57 1qhb n GLY 55 Ca 0.02 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.17 4.04 -0.10 1.61 0.01 -0.89 -3.24 113.70 113.98 1qhb s SER 56 Ca 0.41 -0.66 -0.29 0.00 1.31 0.00 0.00 55.95 56.72 1qhb s SER 56 Cb 0.22 -0.60 -0.05 0.00 0.21 0.00 0.00 66.02 65.81 1qhb s SER 56 CO 0.30 0.10 1.62 0.12 0.41 0.00 0.00 173.24 175.79 1qhb s PHE 57 N -1.73 2.07 -0.05 2.43 5.36 -0.07 -4.40 117.98 121.59 1qhb s PHE 57 Ca 0.24 0.34 0.07 0.00 -0.96 0.00 0.00 56.93 56.62 1qhb s PHE 57 Cb -0.08 -3.89 0.11 0.00 -0.34 0.00 0.00 43.02 38.82 1qhb s PHE 57 CO 0.14 -3.49 1.05 0.25 -1.46 0.00 0.00 175.22 171.71 1qhb n THR 58 N 5.66 0.74 -1.70 0.12 -2.24 -1.26 -4.96 114.28 110.63 1qhb n THR 58 Ca 0.17 -0.88 -0.43 0.00 -2.27 0.00 0.00 64.05 60.64 1qhb n THR 58 Cb 0.43 0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 1qhb n THR 58 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1qhb n LYS 59 N -0.56 2.66 0.00 -0.78 4.81 -1.26 -1.92 118.16 121.11 1qhb n LYS 59 Ca 0.06 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.46 1qhb n LYS 59 Cb 0.67 -2.81 0.00 0.00 0.02 0.00 0.00 35.03 32.90 1qhb n LYS 59 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qhb n GLY 60 N 3.98 2.56 3.79 3.14 0.00 0.45 -4.96 105.19 114.16 1qhb n GLY 60 Ca 0.17 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 4.15 0.06 0.99 1.43 -0.81 -0.21 118.68 124.29 1qhb s LEU 61 Ca 0.00 1.83 -0.30 0.00 -1.03 0.00 0.00 54.13 54.62 1qhb s LEU 61 Cb 0.00 -4.24 -0.09 0.00 0.03 0.00 0.00 46.19 41.89 1qhb s LEU 61 CO 0.00 -0.27 1.80 -2.84 0.23 0.00 0.00 176.35 175.27 1qhb s PRO 62 N -2.56 4.16 0.20 1.29 0.02 -1.26 -4.61 135.00 132.24 1qhb s PRO 62 Ca 0.56 2.48 0.06 0.00 0.02 0.00 0.00 61.00 64.12 1qhb s PRO 62 Cb -0.16 -3.79 -0.04 0.00 0.02 0.00 0.00 34.50 30.53 1qhb s PRO 62 CO 0.21 -0.84 0.16 -1.01 -0.33 0.00 0.00 177.00 175.18 1qhb s HIS 63 N 3.32 3.14 0.44 6.54 3.76 -1.26 -1.76 115.29 129.46 1qhb s HIS 63 Ca 0.80 -0.05 -0.04 0.00 -0.15 0.00 0.00 55.06 55.62 1qhb s HIS 63 Cb -0.42 -1.47 0.09 0.00 1.11 0.00 0.00 32.58 31.89 1qhb s HIS 63 CO 0.36 0.52 0.60 -0.40 -0.85 0.00 0.00 174.74 174.96 1qhb n ASP 64 N -0.67 0.45 0.14 1.40 5.68 0.13 -4.77 116.55 118.91 1qhb n ASP 64 Ca -0.08 -1.46 0.12 0.00 -0.50 0.00 0.00 54.79 52.86 1qhb n ASP 64 Cb 0.56 -0.42 0.51 0.00 -1.14 0.00 0.00 41.12 40.63 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 -3.15 0.64 -0.42 -1.12 8.00 -1.26 -2.04 116.55 117.20 1qhb n ASP 65 Ca 0.09 0.68 0.12 0.00 0.71 0.00 0.00 54.79 56.39 1qhb n ASP 65 Cb 0.31 -0.81 0.09 0.00 -0.02 0.00 0.00 41.12 40.69 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 -2.24 1.74 0.00 -2.24 5.03 -1.26 -4.96 115.26 111.33 1qhb n ASN 66 Ca 0.01 -1.34 0.00 0.00 0.87 0.00 0.00 54.58 54.13 1qhb n ASN 66 Cb 0.19 0.40 0.00 0.00 -1.02 0.00 0.00 39.78 39.35 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 1.40 0.84 3.89 7.41 0.00 -0.87 -4.86 105.19 113.02 1qhb n GLY 67 Ca 0.10 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 3.78 0.54 4.61 0.00 -1.26 -4.77 121.76 122.67 1qhb s ALA 68 Ca 0.00 -0.54 -0.20 0.00 0.00 0.00 0.00 51.96 51.22 1qhb s ALA 68 Cb 0.00 -2.14 -0.05 0.00 0.00 0.00 0.00 23.12 20.92 1qhb s ALA 68 CO 0.00 0.66 1.17 0.96 0.00 0.00 0.00 175.76 178.55 1qhb s ILE 69 N -1.61 2.95 0.06 0.00 -4.36 -1.26 -0.69 121.20 116.29 1qhb s ILE 69 Ca 0.39 0.62 -0.16 0.00 -0.26 0.00 0.00 60.65 61.24 1qhb s ILE 69 Cb -0.12 -3.26 -0.18 0.00 1.25 0.00 0.00 42.46 40.14 1qhb s ILE 69 CO 0.23 -0.10 1.24 0.40 0.24 0.00 0.00 174.94 176.95 1qhb h ILE 70 N 1.24 1.33 -3.38 8.37 2.04 -1.64 -3.44 117.51 122.02 1qhb h ILE 70 Ca -0.50 -1.96 -0.57 0.00 1.00 0.00 0.00 64.86 62.84 1qhb h ILE 70 Cb 1.27 2.19 -0.38 0.00 -0.74 0.00 0.00 36.82 39.16 1qhb h ILE 70 CO 0.57 0.60 -0.79 -0.62 0.00 0.00 0.00 178.15 177.91 1qhb s ASP 71 N -6.91 3.07 0.52 1.72 -1.08 -1.26 -5.01 116.67 107.71 1qhb s ASP 71 Ca -0.12 -0.78 0.22 0.00 -0.52 0.00 0.00 52.55 51.35 1qhb s ASP 71 Cb 0.07 -0.97 1.33 0.00 -1.46 0.00 0.00 42.92 41.88 1qhb s ASP 71 CO 0.87 -0.20 2.03 1.55 0.52 0.00 0.00 175.17 179.94 1qhb h PRO 72 N 8.08 0.04 0.00 4.34 0.13 -1.87 0.19 132.00 142.91 1qhb h PRO 72 Ca -0.23 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.87 1qhb h PRO 72 Cb 1.10 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1qhb h PRO 72 CO 0.41 0.02 -0.13 -0.44 -0.23 0.00 0.00 178.00 177.64 1qhb h ASP 73 N 0.04 0.00 -0.80 1.44 3.32 -1.97 -2.21 116.42 116.24 1qhb h ASP 73 Ca 0.19 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 1qhb h ASP 73 Cb 0.72 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.23 1qhb h ASP 73 CO -0.01 0.13 0.36 0.44 -1.72 0.00 0.00 179.24 178.43 1qhb h ASP 74 N 0.00 1.07 -0.19 6.45 3.32 -1.05 -0.50 116.42 125.53 1qhb h ASP 74 Ca -0.00 -0.15 -0.10 0.00 0.02 0.00 0.00 57.03 56.80 1qhb h ASP 74 Cb 0.26 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 1qhb h ASP 74 CO 0.02 0.93 -0.26 0.15 -1.72 0.00 0.00 179.24 178.35 1qhb h PHE 75 N 1.15 0.62 -0.51 4.55 3.57 -1.55 -2.34 116.94 122.43 1qhb h PHE 75 Ca 0.27 -0.21 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1qhb h PHE 75 Cb 0.16 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1qhb h PHE 75 CO 0.02 0.90 0.19 -0.07 -2.23 0.00 0.00 178.31 177.12 1qhb h LEU 76 N 0.17 0.67 -0.68 0.59 3.38 -1.28 -0.68 115.31 117.48 1qhb h LEU 76 Ca 0.02 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1qhb h LEU 76 Cb 0.83 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1qhb h LEU 76 CO 0.06 0.62 -0.47 0.00 0.09 0.00 0.00 178.44 178.74 1qhb h ALA 77 N 1.48 0.86 -0.38 1.53 0.00 -1.08 -2.56 119.26 119.11 1qhb h ALA 77 Ca 0.17 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1qhb h ALA 77 Cb 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1qhb h ALA 77 CO -0.01 0.66 0.19 0.35 0.00 0.00 0.00 179.25 180.43 1qhb h PHE 78 N 0.36 0.55 -0.68 0.00 3.57 -0.76 -1.84 116.94 118.13 1qhb h PHE 78 Ca 0.02 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1qhb h PHE 78 Cb 0.97 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 1qhb h PHE 78 CO 0.03 0.46 0.19 0.28 -2.23 0.00 0.00 178.31 177.04 1qhb h VAL 79 N 0.48 1.26 -0.50 1.41 2.07 -1.06 -1.64 116.25 118.26 1qhb h VAL 79 Ca 0.13 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1qhb h VAL 79 Cb 0.11 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1qhb h VAL 79 CO -0.02 0.35 0.32 0.03 0.02 0.00 0.00 177.57 178.28 1qhb h ARG 80 N 1.01 0.67 -0.81 1.57 3.08 -1.32 -2.19 114.38 116.39 1qhb h ARG 80 Ca 0.22 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 1qhb h ARG 80 Cb 0.33 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1qhb h ARG 80 CO -0.00 0.46 0.40 0.00 -1.07 0.00 0.00 179.97 179.76 1qhb h ALA 81 N 1.17 1.18 -0.08 0.04 0.00 -1.07 -1.88 119.26 118.62 1qhb h ALA 81 Ca 0.18 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1qhb h ALA 81 Cb -0.06 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 1qhb h ALA 81 CO -0.04 0.63 0.05 0.82 0.00 0.00 0.00 179.25 180.71 1qhb h ILE 82 N 1.15 1.04 0.00 0.00 2.04 -0.98 -0.64 117.51 120.13 1qhb h ILE 82 Ca 0.28 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 1qhb h ILE 82 Cb 0.09 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1qhb h ILE 82 CO -0.04 0.04 -0.05 0.78 0.00 0.00 0.00 178.15 178.88 1qhb h ASN 83 N 0.08 0.00 0.05 1.72 2.35 -1.17 -3.31 115.58 115.30 1qhb h ASN 83 Ca 0.03 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.41 1qhb h ASN 83 Cb 0.02 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.33 1qhb h ASN 83 CO -0.01 0.05 -2.34 -1.54 -1.65 0.00 0.00 177.43 171.95 1qhb n SER 84 N -3.19 0.92 0.00 5.81 3.41 -0.73 -4.99 113.62 114.86 1qhb n SER 84 Ca 0.00 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1qhb n SER 84 Cb 0.31 0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 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 1.93 1.02 3.68 5.00 0.00 -0.27 -4.97 105.19 111.58 1qhb n GLY 85 Ca -0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.93 6.56 0.20 1.61 2.15 -1.26 -4.91 116.67 118.09 1qhb s ASP 86 Ca 0.00 2.52 -0.10 0.00 0.43 0.00 0.00 52.55 55.40 1qhb s ASP 86 Cb 0.00 -2.55 0.15 0.00 -0.30 0.00 0.00 42.92 40.21 1qhb s ASP 86 CO 0.00 -0.94 1.84 -0.33 -0.17 0.00 0.00 175.17 175.57 1qhb h GLU 87 N 8.93 1.02 -0.55 4.34 3.07 -1.96 -1.55 114.58 127.88 1qhb h GLU 87 Ca -0.44 -0.10 -0.09 0.00 -0.50 0.00 0.00 59.36 58.23 1qhb h GLU 87 Cb 1.21 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 28.89 1qhb h GLU 87 CO 0.94 0.74 -0.03 0.87 -1.40 0.00 0.00 179.01 180.12 1qhb h LYS 88 N 1.02 0.97 -0.80 2.33 1.57 -1.99 -1.36 116.57 118.32 1qhb h LYS 88 Ca 0.27 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1qhb h LYS 88 Cb -0.01 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 1qhb h LYS 88 CO -0.05 0.97 0.36 1.49 -0.57 0.00 0.00 179.45 181.66 1qhb h GLU 89 N 0.88 1.17 -0.50 3.15 4.81 -1.84 -1.19 114.58 121.05 1qhb h GLU 89 Ca 0.16 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1qhb h GLU 89 Cb 0.56 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1qhb h GLU 89 CO 0.03 0.92 -0.06 0.82 -0.73 0.00 0.00 179.01 179.99 1qhb h ILE 90 N 1.14 1.26 0.00 2.32 2.04 -1.03 -2.87 117.51 120.37 1qhb h ILE 90 Ca 0.27 -1.14 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 1qhb h ILE 90 Cb 0.15 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1qhb h ILE 90 CO -0.03 0.40 -0.29 0.00 0.00 0.00 0.00 178.15 178.23 1qhb h ALA 91 N 1.13 1.18 -0.00 1.87 0.00 -0.62 -2.93 119.26 119.89 1qhb h ALA 91 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1qhb h ALA 91 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1qhb h ALA 91 CO 0.03 0.36 -0.03 0.00 0.00 0.00 0.00 179.25 179.62 1qhb n ALA 92 N -2.33 2.66 -1.41 0.00 0.00 -0.51 -4.89 120.51 114.03 1qhb n ALA 92 Ca -0.01 -0.25 -0.30 0.00 0.00 0.00 0.00 53.44 52.87 1qhb n ALA 92 Cb 0.40 -1.41 0.09 0.00 0.00 0.00 0.00 19.45 18.53 1qhb n ALA 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qhb s LEU 93 N -2.20 2.79 -0.24 0.00 1.43 -1.11 -5.01 118.68 114.34 1qhb s LEU 93 Ca 0.39 1.56 -0.19 0.00 -1.03 0.00 0.00 54.13 54.86 1qhb s LEU 93 Cb 0.21 -4.24 -0.02 0.00 0.03 0.00 0.00 46.19 42.17 1qhb s LEU 93 CO 0.40 -1.97 0.57 -0.89 0.23 0.00 0.00 176.35 174.69 1qhb s THR 94 N -3.02 5.04 -0.05 5.49 2.01 -1.26 -5.05 115.64 118.80 1qhb s THR 94 Ca 0.61 1.01 0.02 0.00 0.31 0.00 0.00 61.69 63.64 1qhb s THR 94 Cb -0.16 -3.88 0.01 0.00 0.01 0.00 0.00 72.50 68.49 1qhb s THR 94 CO 0.55 0.08 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.25 1qhb s LEU 95 N 2.25 1.59 0.00 4.42 2.96 -1.26 -4.54 118.68 124.09 1qhb s LEU 95 Ca 0.24 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 1qhb s LEU 95 Cb -0.16 -0.63 0.00 0.00 0.50 0.00 0.00 46.19 45.91 1qhb s LEU 95 CO 0.09 0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.75 1qhb n GLY 96 N 3.73 -1.46 3.95 7.98 0.00 0.70 -4.99 105.19 115.10 1qhb n GLY 96 Ca -0.23 -1.57 -0.28 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.06 0.84 0.27 1.61 0.04 -1.26 -4.30 135.00 130.13 1qhb s PRO 97 Ca 0.00 -0.58 -0.30 0.00 0.04 0.00 0.00 61.00 60.15 1qhb s PRO 97 Cb 0.00 -1.95 -0.13 0.00 0.04 0.00 0.00 34.50 32.46 1qhb s PRO 97 CO 0.00 -2.22 1.35 0.00 0.04 0.00 0.00 177.00 176.17 1qhb n ALA 98 N -3.57 1.05 -2.85 8.56 0.00 -1.26 -4.62 120.51 117.81 1qhb n ALA 98 Ca 0.15 0.40 -0.31 0.00 0.00 0.00 0.00 53.44 53.68 1qhb n ALA 98 Cb 0.60 -2.25 -0.05 0.00 0.00 0.00 0.00 19.45 17.74 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 -0.85 3.16 0.02 0.00 0.52 -1.26 -0.87 118.95 119.66 1qhb s ARG 99 Ca 0.64 -0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 54.99 1qhb s ARG 99 Cb -0.64 -2.88 -0.05 0.00 0.52 0.00 0.00 34.95 31.90 1qhb s ARG 99 CO 0.54 0.59 1.26 0.34 0.02 0.00 0.00 175.30 178.05 1qhb s ASP 100 N -2.42 7.00 0.53 0.23 2.15 0.04 -4.89 116.67 119.30 1qhb s ASP 100 Ca 0.32 2.01 0.31 0.00 0.43 0.00 0.00 52.55 55.61 1qhb s ASP 100 Cb -0.13 -2.57 1.40 0.00 -0.30 0.00 0.00 42.92 41.32 1qhb s ASP 100 CO 0.25 -0.58 2.01 -0.65 -0.17 0.00 0.00 175.17 176.03 1qhb h PRO 101 N 7.23 0.00 0.17 4.34 0.11 -1.96 1.31 132.00 143.19 1qhb h PRO 101 Ca -0.39 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 1qhb h PRO 101 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1qhb h PRO 101 CO 0.86 0.09 -0.08 0.93 -0.21 0.00 0.00 178.00 179.59 1qhb h GLU 102 N 0.00 -0.22 -0.15 1.05 3.07 -1.97 -3.38 114.58 112.99 1qhb h GLU 102 Ca -0.00 0.01 -0.18 0.00 -0.50 0.00 0.00 59.36 58.70 1qhb h GLU 102 Cb 0.47 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1qhb h GLU 102 CO 0.01 -0.14 -0.64 1.79 -1.40 0.00 0.00 179.01 178.63 1qhb h THR 103 N -0.51 1.33 0.00 1.13 1.35 -1.98 -3.47 112.91 110.76 1qhb h THR 103 Ca -0.02 -1.93 0.00 0.00 -0.55 0.00 0.00 66.41 63.91 1qhb h THR 103 Cb 0.17 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1qhb h THR 103 CO 0.04 0.59 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 1qhb n GLY 104 N 0.41 0.64 3.90 5.82 0.00 0.45 -5.02 105.19 111.39 1qhb n GLY 104 Ca -0.04 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 4.28 0.45 0.99 1.43 -1.23 -4.79 118.68 119.81 1qhb s LEU 105 Ca 0.00 0.57 -0.25 0.00 -1.03 0.00 0.00 54.13 53.42 1qhb s LEU 105 Cb 0.00 -3.24 -0.08 0.00 0.03 0.00 0.00 46.19 42.90 1qhb s LEU 105 CO 0.00 0.08 1.39 -2.84 0.23 0.00 0.00 176.35 175.21 1qhb s PRO 106 N -2.56 3.72 -0.39 1.29 0.02 -1.26 -0.78 135.00 135.04 1qhb s PRO 106 Ca 0.39 2.34 -0.15 0.00 0.02 0.00 0.00 61.00 63.60 1qhb s PRO 106 Cb -0.12 -2.65 0.01 0.00 0.02 0.00 0.00 34.50 31.75 1qhb s PRO 106 CO 0.24 -0.76 0.30 0.42 -0.33 0.00 0.00 177.00 176.87 1qhb s ILE 107 N -1.23 5.25 0.49 2.83 1.01 -0.05 -4.79 121.20 124.71 1qhb s ILE 107 Ca 0.61 -0.48 -0.02 0.00 0.00 0.00 0.00 60.65 60.75 1qhb s ILE 107 Cb -0.42 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.17 1qhb s ILE 107 CO 0.54 -0.23 0.75 0.26 0.00 0.00 0.00 174.94 176.26 1qhb s TRP 108 N 1.74 3.29 0.01 3.97 0.52 -1.26 -4.67 118.94 122.55 1qhb s TRP 108 Ca 0.06 0.44 -0.18 0.00 0.02 0.00 0.00 56.10 56.44 1qhb s TRP 108 Cb -0.18 -2.42 -0.30 0.00 -1.15 0.00 0.00 33.47 29.42 1qhb s TRP 108 CO 0.11 -0.46 1.02 0.00 0.02 0.00 0.00 176.95 177.63 1qhb h ARG 109 N 0.22 0.48 -6.61 4.98 3.08 -1.97 -3.46 114.38 111.09 1qhb h ARG 109 Ca -0.46 -0.70 -0.51 0.00 0.07 0.00 0.00 59.98 58.38 1qhb h ARG 109 Cb 1.25 0.24 -0.03 0.00 0.08 0.00 0.00 29.97 31.51 1qhb h ARG 109 CO 0.59 1.31 0.15 -1.54 -1.07 0.00 0.00 179.97 179.42 1qhb s SER 110 N -7.22 7.14 0.31 7.04 1.04 -1.26 -4.97 113.70 115.78 1qhb s SER 110 Ca -0.11 1.51 -0.01 0.00 0.48 0.00 0.00 55.95 57.82 1qhb s SER 110 Cb 0.03 -2.45 0.48 0.00 0.10 0.00 0.00 66.02 64.19 1qhb s SER 110 CO 0.89 0.04 1.93 0.44 0.98 0.00 0.00 173.24 177.52 1qhb h ASP 111 N 3.48 0.82 0.22 7.02 3.32 -1.96 -1.54 116.42 127.78 1qhb h ASP 111 Ca -0.48 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 56.52 1qhb h ASP 111 Cb 1.19 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 1qhb h ASP 111 CO 0.65 0.67 -0.25 0.25 -1.72 0.00 0.00 179.24 178.84 1qhb h LEU 112 N 0.93 -0.67 -0.71 1.55 5.85 -1.97 0.51 115.31 120.81 1qhb h LEU 112 Ca 0.24 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.99 1qhb h LEU 112 Cb 0.03 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1qhb h LEU 112 CO -0.04 -0.35 0.30 0.00 -0.34 0.00 0.00 178.44 178.01 1qhb h ALA 113 N 0.18 0.92 -0.54 1.25 0.00 -1.94 -2.28 119.26 116.85 1qhb h ALA 113 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1qhb h ALA 113 Cb 0.48 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1qhb h ALA 113 CO -0.07 0.53 -0.11 -0.91 0.00 0.00 0.00 179.25 178.68 1qhb h ASN 114 N 1.01 1.03 0.33 0.00 2.35 -1.00 -2.67 115.58 116.63 1qhb h ASN 114 Ca 0.24 -0.35 -0.02 0.00 -0.55 0.00 0.00 56.30 55.62 1qhb h ASN 114 Cb 0.18 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 1qhb h ASN 114 CO -0.02 1.14 -0.11 0.77 -1.65 0.00 0.00 177.43 177.56 1qhb h SER 115 N 0.91 0.00 0.48 5.81 4.64 0.56 -2.14 113.55 123.81 1qhb h SER 115 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1qhb h SER 115 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1qhb h SER 115 CO 0.05 0.11 -0.62 0.18 -0.87 0.00 0.00 176.83 175.68 1qhb n LEU 116 N -3.68 0.58 -3.13 5.97 4.77 -0.92 -4.96 117.00 115.62 1qhb n LEU 116 Ca -0.02 -0.03 -0.19 0.00 -0.03 0.00 0.00 56.01 55.74 1qhb n LEU 116 Cb 0.22 -0.20 0.07 0.00 -2.33 0.00 0.00 43.42 41.18 1qhb n LEU 116 CO 0.30 0.11 0.19 0.47 -1.33 0.00 0.00 177.39 177.13 1qhb n ASP 117 N -1.61 -4.98 -4.76 -1.43 8.00 -0.81 -4.93 116.55 106.04 1qhb n ASP 117 Ca 0.05 -0.48 -0.38 0.00 0.71 0.00 0.00 54.79 54.69 1qhb n ASP 117 Cb 0.36 -4.40 0.03 0.00 -0.02 0.00 0.00 41.12 37.09 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 -6.26 3.92 0.55 0.64 1.43 -1.11 -5.02 118.68 112.83 1qhb s LEU 118 Ca 0.40 2.68 0.07 0.00 -1.03 0.00 0.00 54.13 56.25 1qhb s LEU 118 Cb -0.18 -4.22 0.05 0.00 0.03 0.00 0.00 46.19 41.88 1qhb s LEU 118 CO 0.62 -1.38 0.54 -1.61 0.23 0.00 0.00 176.35 174.75 1qhb s GLU 119 N -2.80 2.28 0.40 1.70 0.41 -1.26 -4.58 118.70 114.84 1qhb s GLU 119 Ca 0.68 -1.89 -0.04 0.00 -0.41 0.00 0.00 54.97 53.32 1qhb s GLU 119 Cb -0.38 -2.29 -0.04 0.00 -1.78 0.00 0.00 34.13 29.64 1qhb s GLU 119 CO 0.46 -0.70 0.67 0.14 -0.49 0.00 0.00 175.26 175.34 1qhb s VAL 120 N -2.73 4.98 0.15 2.63 -7.23 -1.26 -1.16 120.40 115.77 1qhb s VAL 120 Ca 0.44 -0.00 0.10 0.00 -1.81 0.00 0.00 61.98 60.70 1qhb s VAL 120 Cb -0.03 -3.83 -0.04 0.00 0.56 0.00 0.00 36.38 33.04 1qhb s VAL 120 CO 0.27 -0.63 -0.18 0.00 -0.31 0.00 0.00 175.10 174.26 1qhb s ARG 121 N -4.30 1.77 0.44 4.82 1.70 -0.79 -4.78 118.95 117.81 1qhb s ARG 121 Ca 0.45 -1.27 0.07 0.00 -0.47 0.00 0.00 55.73 54.51 1qhb s ARG 121 Cb -0.10 -2.06 -0.01 0.00 -0.57 0.00 0.00 34.95 32.21 1qhb s ARG 121 CO 0.38 0.45 0.39 0.20 -1.08 0.00 0.00 175.30 175.64 1qhb s GLY 122 N -2.39 2.16 0.33 3.88 0.00 -1.26 -4.88 107.32 105.18 1qhb s GLY 122 Ca 0.20 -1.83 -0.28 0.00 0.00 0.00 0.00 44.72 42.80 1qhb s GLY 122 CO 0.11 -1.74 1.28 -0.98 0.00 0.00 0.00 173.10 171.77 1qhb s TRP 123 N -2.53 3.08 -0.47 1.90 0.51 -1.26 -4.83 118.94 115.35 1qhb s TRP 123 Ca 0.46 1.45 -0.21 0.00 -2.12 0.00 0.00 56.10 55.68 1qhb s TRP 123 Cb -0.03 -3.63 0.03 0.00 -0.81 0.00 0.00 33.47 29.03 1qhb s TRP 123 CO 0.27 -1.73 0.69 -1.21 -0.51 0.00 0.00 176.95 174.47 1qhb s GLU 124 N -1.81 3.27 -1.09 4.98 2.02 -1.17 -4.56 118.70 120.34 1qhb s GLU 124 Ca 0.49 -0.44 -0.18 0.00 0.02 0.00 0.00 54.97 54.86 1qhb s GLU 124 Cb -0.39 -3.99 -0.01 0.00 0.10 0.00 0.00 34.13 29.84 1qhb s GLU 124 CO 0.51 -1.12 0.78 0.09 0.02 0.00 0.00 175.26 175.53 1qhb n ASN 125 N 6.44 -5.46 0.16 -0.19 5.03 -1.26 -4.87 115.26 115.11 1qhb n ASN 125 Ca -0.02 -0.96 0.13 0.00 0.87 0.00 0.00 54.58 54.60 1qhb n ASN 125 Cb 0.47 -3.35 0.54 0.00 -1.02 0.00 0.00 39.78 36.42 1qhb n ASN 125 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1qhb h SER 126 N -1.64 0.00 -0.06 6.41 4.64 -1.95 -3.11 113.55 117.85 1qhb h SER 126 Ca -0.62 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.69 1qhb h SER 126 Cb 1.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 1qhb h SER 126 CO 0.46 0.00 -0.11 -1.20 -0.87 0.00 0.00 176.83 175.11 1qhb n SER 127 N -2.40 2.43 0.29 4.97 7.64 -1.26 -4.68 113.62 120.61 1qhb n SER 127 Ca 0.02 -3.29 0.17 0.00 1.01 0.00 0.00 58.87 56.78 1qhb n SER 127 Cb 0.24 -0.48 0.86 0.00 -1.01 0.00 0.00 64.21 63.81 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 0.50 1.10 0.00 -0.43 0.00 -1.91 -1.66 119.26 116.86 1qhb h ALA 128 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1qhb h ALA 128 Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1qhb h ALA 128 CO 0.05 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1qhb n GLY 129 N -0.54 -0.79 0.03 0.00 0.00 -1.26 -2.21 105.19 100.41 1qhb n GLY 129 Ca -0.01 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 0.62 -4.75 0.99 4.77 -0.62 -4.64 117.00 112.29 1qhb n LEU 130 Ca 0.15 -0.03 -0.41 0.00 -0.03 0.00 0.00 56.01 55.69 1qhb n LEU 130 Cb 0.11 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1qhb n LEU 130 CO 0.14 0.05 0.90 -0.89 -1.33 0.00 0.00 177.39 176.26 1qhb s THR 131 N -3.18 3.37 0.48 -5.08 2.01 -0.94 -5.05 115.64 107.25 1qhb s THR 131 Ca 0.04 1.22 -0.05 0.00 0.31 0.00 0.00 61.69 63.21 1qhb s THR 131 Cb 0.15 -3.78 0.11 0.00 0.01 0.00 0.00 72.50 68.98 1qhb s THR 131 CO 0.80 0.23 0.66 0.49 -0.69 0.00 0.00 174.62 176.10 1qhb n PHE 132 N 2.03 -3.60 -3.73 4.92 3.72 -1.26 -4.68 117.46 114.86 1qhb n PHE 132 Ca 0.03 -0.81 -0.13 0.00 -0.05 0.00 0.00 57.45 56.49 1qhb n PHE 132 Cb 0.44 -0.50 -0.08 0.00 -0.94 0.00 0.00 39.48 38.41 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 -3.51 -0.22 0.09 4.37 -1.08 -1.26 -5.04 116.67 110.01 1qhb s ASP 133 Ca 0.40 0.04 0.26 0.00 -0.52 0.00 0.00 52.55 52.72 1qhb s ASP 133 Cb -0.02 0.36 1.00 0.00 -1.46 0.00 0.00 42.92 42.80 1qhb s ASP 133 CO 0.27 -0.54 1.80 0.18 0.52 0.00 0.00 175.17 177.40 1qhb n LEU 134 N 0.93 0.31 -3.85 -1.34 4.77 -1.26 -4.85 117.00 111.71 1qhb n LEU 134 Ca -0.20 0.54 -0.11 0.00 -0.03 0.00 0.00 56.01 56.21 1qhb n LEU 134 Cb 0.58 -0.45 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 1qhb n LEU 134 CO 0.22 -0.14 -0.12 -1.83 -1.33 0.00 0.00 177.39 174.18 1qhb s GLU 135 N -3.06 0.60 0.00 3.23 -1.05 -1.26 -5.03 118.70 112.13 1qhb s GLU 135 Ca 0.11 -0.50 0.00 0.00 -0.15 0.00 0.00 54.97 54.43 1qhb s GLU 135 Cb 0.15 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 1qhb s GLU 135 CO 0.50 -0.16 0.00 0.41 0.95 0.00 0.00 175.26 176.96 1qhb n GLY 136 N 1.04 -1.17 3.73 -3.83 0.00 -1.26 -4.90 105.19 98.81 1qhb n GLY 136 Ca -0.21 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.41 2.45 -1.80 1.61 -0.02 -1.26 -4.94 135.00 129.63 1qhb n PRO 137 Ca 0.00 0.86 -0.38 0.00 -2.02 0.00 0.00 63.50 61.97 1qhb n PRO 137 Cb 0.00 -2.57 0.04 0.00 -0.02 0.00 0.00 33.50 30.96 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 0.14 5.15 0.35 2.55 2.15 -1.26 -4.88 116.67 120.88 1qhb s ASP 138 Ca 0.60 2.71 0.09 0.00 0.43 0.00 0.00 52.55 56.39 1qhb s ASP 138 Cb -0.54 -2.63 0.83 0.00 -0.30 0.00 0.00 42.92 40.29 1qhb s ASP 138 CO 0.55 -1.64 1.85 0.00 -0.17 0.00 0.00 175.17 175.76 1qhb h ALA 139 N 1.26 1.85 -0.45 3.66 0.00 -1.90 -1.70 119.26 121.99 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 1.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1qhb h ALA 139 CO 0.56 -0.12 0.00 1.04 0.00 0.00 0.00 179.25 180.74 1qhb n GLN 140 N -4.58 2.10 0.02 0.00 6.02 -1.26 -4.13 117.38 115.55 1qhb n GLN 140 Ca 0.19 -1.70 0.11 0.00 -0.01 0.00 0.00 57.00 55.59 1qhb n GLN 140 Cb 0.51 -1.38 0.06 0.00 1.02 0.00 0.00 30.24 30.45 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 0.89 0.63 -4.66 1.08 3.41 -0.64 -4.73 113.62 109.59 1qhb n SER 141 Ca 0.16 -0.24 -0.24 0.00 -0.26 0.00 0.00 58.87 58.30 1qhb n SER 141 Cb 0.41 0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 64.94 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 -3.15 2.96 0.05 -3.33 -7.23 -1.26 -2.01 120.40 106.43 1qhb s VAL 142 Ca 0.05 -1.88 0.01 0.00 -1.81 0.00 0.00 61.98 58.35 1qhb s VAL 142 Cb 0.15 -2.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.21 1qhb s VAL 142 CO 0.78 -0.25 -0.05 0.00 -0.31 0.00 0.00 175.10 175.28 1qhb s ALA 143 N -2.44 0.47 0.06 1.32 0.00 -1.26 -4.85 121.76 115.05 1qhb s ALA 143 Ca 0.35 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.47 1qhb s ALA 143 Cb -0.03 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 1qhb s ALA 143 CO 0.20 -0.18 -0.11 -1.64 0.00 0.00 0.00 175.76 174.04 1qhb s MET 144 N -2.42 2.26 0.90 0.00 -1.94 -1.26 -4.94 119.30 111.90 1qhb s MET 144 Ca -0.05 -0.91 -0.12 0.00 -1.71 0.00 0.00 55.69 52.90 1qhb s MET 144 Cb -0.04 -2.35 0.13 0.00 2.01 0.00 0.00 34.83 34.59 1qhb s MET 144 CO -0.03 0.55 1.09 -1.25 -0.01 0.00 0.00 175.02 175.37 1qhb s PRO 145 N -1.79 1.25 0.40 2.03 0.04 -1.26 -4.44 135.00 131.23 1qhb s PRO 145 Ca 0.19 0.81 -0.26 0.00 0.04 0.00 0.00 61.00 61.78 1qhb s PRO 145 Cb -0.11 -1.81 -0.11 0.00 0.04 0.00 0.00 34.50 32.52 1qhb s PRO 145 CO 0.10 -2.24 1.18 -2.30 0.04 0.00 0.00 177.00 173.77 1qhb n PRO 146 N -3.88 1.75 -1.97 0.56 -0.02 -1.20 -4.96 135.00 125.28 1qhb n PRO 146 Ca 0.07 0.62 -0.32 0.00 -2.02 0.00 0.00 63.50 61.85 1qhb n PRO 146 Cb 0.55 -2.24 0.01 0.00 -0.02 0.00 0.00 33.50 31.81 1qhb n PRO 146 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qhb s ALA 147 N -1.19 2.78 0.46 3.55 0.00 -1.26 -4.90 121.76 121.20 1qhb s ALA 147 Ca 0.61 0.27 -0.22 0.00 0.00 0.00 0.00 51.96 52.61 1qhb s ALA 147 Cb -0.54 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 19.28 1qhb s ALA 147 CO 0.58 -0.83 0.83 -2.30 0.00 0.00 0.00 175.76 174.04 1qhb n PRO 148 N -2.27 0.99 -2.96 0.00 -0.02 -1.26 -4.67 135.00 124.81 1qhb n PRO 148 Ca 0.08 0.36 -0.22 0.00 -2.02 0.00 0.00 63.50 61.70 1qhb n PRO 148 Cb 0.53 -1.88 0.01 0.00 -0.02 0.00 0.00 33.50 32.14 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 -1.40 3.82 0.57 -1.45 -7.23 -1.26 -4.96 120.40 108.49 1qhb s VAL 149 Ca 0.66 -0.54 0.27 0.00 -1.81 0.00 0.00 61.98 60.55 1qhb s VAL 149 Cb -0.54 -3.41 0.36 0.00 0.56 0.00 0.00 36.38 33.35 1qhb s VAL 149 CO 0.55 -0.28 2.09 -0.07 -0.31 0.00 0.00 175.10 177.08 1qhb h LEU 150 N 0.38 0.00 -3.19 1.32 3.38 -1.96 -1.43 115.31 113.81 1qhb h LEU 150 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1qhb h LEU 150 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1qhb h LEU 150 CO 0.56 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.44 1qhb n THR 151 N -3.98 1.95 -3.42 0.22 -2.24 -1.26 -4.81 114.28 100.73 1qhb n THR 151 Ca 0.02 -1.31 -0.27 0.00 -2.27 0.00 0.00 64.05 60.22 1qhb n THR 151 Cb 0.34 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 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 -1.05 6.40 0.24 3.42 1.04 -0.54 -4.98 113.70 118.23 1qhb s SER 152 Ca 0.48 0.59 -0.05 0.00 0.48 0.00 0.00 55.95 57.45 1qhb s SER 152 Cb 0.32 -2.09 0.38 0.00 0.10 0.00 0.00 66.02 64.73 1qhb s SER 152 CO 0.21 -0.18 1.83 -0.65 0.98 0.00 0.00 173.24 175.42 1qhb h PRO 153 N 1.57 0.85 -0.31 4.02 0.11 -1.94 -2.36 132.00 133.94 1qhb h PRO 153 Ca -0.48 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.63 1qhb h PRO 153 Cb 1.20 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 32.07 1qhb h PRO 153 CO 0.66 0.56 0.02 1.49 -0.21 0.00 0.00 178.00 180.52 1qhb h GLU 154 N 0.88 0.11 -0.23 1.05 4.81 -1.94 -0.91 114.58 118.36 1qhb h GLU 154 Ca 0.39 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.53 1qhb h GLU 154 Cb 0.29 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1qhb h GLU 154 CO -0.22 0.08 -0.24 1.25 -0.73 0.00 0.00 179.01 179.15 1qhb h LEU 155 N 0.12 0.42 -0.45 1.64 7.12 -1.70 -0.07 115.31 122.39 1qhb h LEU 155 Ca 0.15 -0.13 -0.01 0.00 0.13 0.00 0.00 57.88 58.02 1qhb h LEU 155 Cb 0.19 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.18 1qhb h LEU 155 CO -0.23 0.66 0.25 0.40 -0.13 0.00 0.00 178.44 179.40 1qhb h ILE 156 N 0.38 1.15 -0.70 4.05 2.04 -1.09 0.95 117.51 124.28 1qhb h ILE 156 Ca 0.06 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.48 1qhb h ILE 156 Cb 0.63 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1qhb h ILE 156 CO 0.04 0.16 0.20 0.00 0.00 0.00 0.00 178.15 178.56 1qhb h ALA 157 N 1.11 1.03 -0.48 1.87 0.00 -0.75 -1.67 119.26 120.36 1qhb h ALA 157 Ca 0.16 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1qhb h ALA 157 Cb 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1qhb h ALA 157 CO -0.03 0.65 -0.11 0.93 0.00 0.00 0.00 179.25 180.69 1qhb h GLU 158 N 1.05 0.92 -0.47 0.00 5.08 -0.34 -2.30 114.58 118.52 1qhb h GLU 158 Ca 0.23 -0.35 -0.13 0.00 -1.00 0.00 0.00 59.36 58.11 1qhb h GLU 158 Cb 0.32 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1qhb h GLU 158 CO -0.00 1.00 -0.22 0.52 -1.00 0.00 0.00 179.01 179.31 1qhb h MET 159 N 0.77 0.98 -0.53 2.33 2.86 -0.68 -2.12 114.93 118.53 1qhb h MET 159 Ca 0.12 -0.43 0.04 0.00 -2.06 0.00 0.00 59.70 57.38 1qhb h MET 159 Cb 0.66 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.24 1qhb h MET 159 CO 0.05 1.10 0.28 0.00 1.06 0.00 0.00 176.91 179.39 1qhb h ALA 160 N 0.86 0.68 -0.77 6.32 0.00 -1.24 -0.60 119.26 124.50 1qhb h ALA 160 Ca 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1qhb h ALA 160 Cb 0.80 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1qhb h ALA 160 CO 0.07 -0.06 0.40 1.49 0.00 0.00 0.00 179.25 181.15 1qhb h GLU 161 N 0.54 1.10 -0.52 0.00 4.81 -1.26 -2.24 114.58 117.01 1qhb h GLU 161 Ca 0.23 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 59.20 1qhb h GLU 161 Cb 0.12 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1qhb h GLU 161 CO -0.15 0.83 -0.15 -0.07 -0.73 0.00 0.00 179.01 178.74 1qhb h LEU 162 N 1.08 1.02 -0.63 1.64 3.38 -0.78 -0.56 115.31 120.47 1qhb h LEU 162 Ca 0.27 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1qhb h LEU 162 Cb 0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1qhb h LEU 162 CO -0.04 1.15 0.07 1.88 0.09 0.00 0.00 178.44 181.59 1qhb h TYR 163 N 0.89 1.14 -0.23 1.13 0.05 -1.02 -1.53 116.97 117.39 1qhb h TYR 163 Ca 0.13 -0.17 -0.09 0.00 0.05 0.00 0.00 58.73 58.64 1qhb h TYR 163 Cb 0.72 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 1qhb h TYR 163 CO 0.05 0.98 -0.26 -0.07 -1.05 0.00 0.00 178.16 177.81 1qhb h LEU 164 N 0.97 0.45 -0.67 3.88 3.38 -1.23 -1.39 115.31 120.69 1qhb h LEU 164 Ca 0.19 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1qhb h LEU 164 Cb 0.48 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1qhb h LEU 164 CO 0.02 0.70 -0.19 0.24 0.09 0.00 0.00 178.44 179.30 1qhb h MET 165 N 0.39 0.84 -0.24 1.13 2.86 -0.87 -0.57 114.93 118.47 1qhb h MET 165 Ca 0.06 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 1qhb h MET 165 Cb 0.66 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1qhb h MET 165 CO 0.05 0.95 0.08 0.00 1.06 0.00 0.00 176.91 179.05 1qhb h ALA 166 N 1.05 0.31 0.00 6.32 0.00 -0.77 -1.33 119.26 124.85 1qhb h ALA 166 Ca 0.11 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1qhb h ALA 166 Cb 0.71 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1qhb h ALA 166 CO 0.05 -0.07 -0.29 -0.07 0.00 0.00 0.00 179.25 178.88 1qhb h LEU 167 N 0.22 0.00 -2.29 0.00 3.38 -1.13 -2.76 115.31 112.74 1qhb h LEU 167 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1qhb h LEU 167 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1qhb h LEU 167 CO -0.00 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.42 1qhb n GLY 168 N -0.39 1.89 0.31 0.83 0.00 -0.23 -4.66 105.19 102.94 1qhb n GLY 168 Ca -0.01 -0.62 0.14 0.00 0.00 0.00 0.00 46.02 45.53 1qhb n GLY 168 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1qhb h ARG 169 N 3.11 0.00 -0.56 1.61 3.08 -0.94 -1.98 114.38 118.70 1qhb h ARG 169 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1qhb h ARG 169 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1qhb h ARG 169 CO 0.12 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.77 1qhb n ASP 170 N -4.20 5.13 -4.80 7.04 8.00 -1.26 -0.85 116.55 125.61 1qhb n ASP 170 Ca 0.01 -2.76 -0.39 0.00 0.71 0.00 0.00 54.79 52.36 1qhb n ASP 170 Cb 0.25 -0.62 -0.06 0.00 -0.02 0.00 0.00 41.12 40.67 1qhb n ASP 170 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1qhb s ILE 171 N -2.42 4.54 0.17 0.53 1.01 -0.74 -4.89 121.20 119.40 1qhb s ILE 171 Ca 0.51 1.45 -0.29 0.00 0.00 0.00 0.00 60.65 62.32 1qhb s ILE 171 Cb 0.37 -4.00 -0.08 0.00 0.01 0.00 0.00 42.46 38.76 1qhb s ILE 171 CO 0.18 0.48 0.91 -1.61 0.00 0.00 0.00 174.94 174.90 1qhb s GLU 172 N -1.27 4.73 0.25 2.79 2.02 -1.26 -2.53 118.70 123.43 1qhb s GLU 172 Ca 0.34 1.39 -0.03 0.00 0.02 0.00 0.00 54.97 56.69 1qhb s GLU 172 Cb -0.21 -3.31 0.43 0.00 0.10 0.00 0.00 34.13 31.14 1qhb s GLU 172 CO 0.23 0.42 1.81 0.74 0.02 0.00 0.00 175.26 178.48 1qhb h PHE 173 N 4.73 0.91 0.00 1.61 0.04 -1.58 -0.24 116.94 122.41 1qhb h PHE 173 Ca -0.45 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.35 1qhb h PHE 173 Cb 1.20 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 39.07 1qhb h PHE 173 CO 0.63 0.37 0.00 0.43 -0.60 0.00 0.00 178.31 179.14 1qhb n SER 174 N -4.72 0.00 -0.32 2.17 7.64 -1.26 -3.09 113.62 114.04 1qhb n SER 174 Ca 0.15 -0.51 0.08 0.00 1.01 0.00 0.00 58.87 59.59 1qhb n SER 174 Cb 0.30 -0.05 0.16 0.00 -1.01 0.00 0.00 64.21 63.60 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 -1.05 1.30 -0.19 1.43 1.02 -0.11 -4.73 120.64 118.31 1qhb n GLU 175 Ca 0.14 -2.76 -0.06 0.00 -0.02 0.00 0.00 57.16 54.46 1qhb n GLU 175 Cb 0.08 -1.46 0.10 0.00 -0.02 0.00 0.00 31.44 30.15 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 0.39 1.04 -0.55 -0.32 -1.00 -1.54 -2.66 116.94 112.31 1qhb h PHE 176 Ca -0.01 -0.13 0.00 0.00 2.81 0.00 0.00 57.97 60.64 1qhb h PHE 176 Cb 1.04 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 40.31 1qhb h PHE 176 CO 0.29 0.88 0.00 -3.47 -1.61 0.00 0.00 178.31 174.40 1qhb n ASP 177 N -4.23 4.17 -4.81 2.17 -0.08 -1.26 -4.79 116.55 107.72 1qhb n ASP 177 Ca 0.04 -2.41 -0.38 0.00 -1.51 0.00 0.00 54.79 50.54 1qhb n ASP 177 Cb 0.27 -0.54 -0.06 0.00 2.34 0.00 0.00 41.12 43.13 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 -0.81 7.08 0.42 1.67 0.15 -1.00 -4.97 113.70 116.24 1qhb s SER 178 Ca 0.43 1.33 0.18 0.00 0.70 0.00 0.00 55.95 58.59 1qhb s SER 178 Cb 0.28 -2.38 1.09 0.00 -1.71 0.00 0.00 66.02 63.30 1qhb s SER 178 CO 0.20 0.19 1.87 -0.65 1.20 0.00 0.00 173.24 176.05 1qhb h PRO 179 N 4.10 0.38 0.00 5.44 0.11 -1.92 0.90 132.00 141.01 1qhb h PRO 179 Ca -0.49 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1qhb h PRO 179 Cb 1.20 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1qhb h PRO 179 CO 0.65 0.25 -0.07 1.57 -0.21 0.00 0.00 178.00 180.19 1qhb h LYS 180 N 0.40 0.00 -0.09 1.05 2.10 -1.93 -2.40 116.57 115.70 1qhb h LYS 180 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 1qhb h LYS 180 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1qhb h LYS 180 CO -0.16 0.07 0.00 0.09 -2.00 0.00 0.00 179.45 177.46 1qhb n ASN 181 N -3.78 2.69 -0.26 7.07 3.02 0.28 -4.70 115.26 119.57 1qhb n ASN 181 Ca -0.02 -1.81 0.05 0.00 -0.03 0.00 0.00 54.58 52.77 1qhb n ASN 181 Cb 0.17 -0.05 0.19 0.00 -0.61 0.00 0.00 39.78 39.49 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 3.67 1.09 -0.42 5.41 0.00 -1.05 -0.37 119.26 127.60 1qhb h ALA 182 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1qhb h ALA 182 Cb 0.80 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1qhb h ALA 182 CO 0.00 -0.19 0.25 0.00 0.00 0.00 0.00 179.25 179.31 1qhb h ALA 183 N 1.54 0.53 0.13 0.00 0.00 -1.84 -1.01 119.26 118.61 1qhb h ALA 183 Ca 0.42 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1qhb h ALA 183 Cb 0.62 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1qhb h ALA 183 CO -0.39 0.03 -0.06 0.35 0.00 0.00 0.00 179.25 179.18 1qhb h PHE 184 N 0.55 -0.16 0.15 0.00 3.04 -1.66 -2.56 116.94 116.31 1qhb h PHE 184 Ca 0.15 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.10 1qhb h PHE 184 Cb 0.01 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.56 1qhb h PHE 184 CO -0.03 0.18 -0.14 0.82 -2.02 0.00 0.00 178.31 177.12 1qhb h ILE 185 N -0.51 0.70 -0.65 1.41 1.08 -1.06 -0.26 117.51 118.21 1qhb h ILE 185 Ca -0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.44 1qhb h ILE 185 Cb 0.41 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.82 1qhb h ILE 185 CO 0.03 0.00 0.36 0.03 -0.69 0.00 0.00 178.15 177.88 1qhb h ARG 186 N -0.31 0.90 -0.06 2.37 2.47 -1.28 -0.67 114.38 117.81 1qhb h ARG 186 Ca 0.00 -0.10 -0.07 0.00 -1.26 0.00 0.00 59.98 58.55 1qhb h ARG 186 Cb 0.29 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 1qhb h ARG 186 CO -0.03 0.68 -0.29 1.03 0.56 0.00 0.00 179.97 181.92 1qhb h SER 187 N 0.89 0.10 -0.23 7.04 0.87 -1.31 -0.44 113.55 120.46 1qhb h SER 187 Ca 0.23 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.69 1qhb h SER 187 Cb 0.03 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1qhb h SER 187 CO -0.04 0.40 -0.12 0.00 -0.53 0.00 0.00 176.83 176.53 1qhb h ALA 188 N 1.61 0.33 -0.43 6.23 0.00 -0.40 -0.93 119.26 125.67 1qhb h ALA 188 Ca 0.01 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1qhb h ALA 188 Cb 0.57 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1qhb h ALA 188 CO 0.04 0.19 -0.01 0.82 0.00 0.00 0.00 179.25 180.30 1qhb h ILE 189 N 0.21 1.26 -0.34 0.00 2.04 -0.89 -2.05 117.51 117.74 1qhb h ILE 189 Ca 0.05 -1.05 -0.08 0.00 1.00 0.00 0.00 64.86 64.78 1qhb h ILE 189 Cb 0.63 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1qhb h ILE 189 CO 0.04 0.36 -0.14 -0.08 0.00 0.00 0.00 178.15 178.33 1qhb h GLU 190 N 0.61 0.61 0.00 2.37 4.81 -1.05 -0.78 114.58 121.14 1qhb h GLU 190 Ca 0.12 -0.19 -0.20 0.00 -0.13 0.00 0.00 59.36 58.96 1qhb h GLU 190 Cb 0.50 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1qhb h GLU 190 CO 0.02 0.73 -0.95 0.00 -0.73 0.00 0.00 179.01 178.07 1qhb h ARG 191 N 0.55 0.00 -0.21 1.92 3.08 -0.98 -2.73 114.38 116.01 1qhb h ARG 191 Ca 0.10 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 59.99 1qhb h ARG 191 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1qhb h ARG 191 CO 0.04 0.96 -0.46 -0.07 -1.07 0.00 0.00 179.97 179.36 1qhb h LEU 192 N 0.00 0.76 0.00 3.04 3.38 -1.31 -3.18 115.31 118.00 1qhb h LEU 192 Ca -0.01 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1qhb h LEU 192 Cb 1.69 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.22 1qhb h LEU 192 CO 0.12 1.18 0.00 0.59 0.09 0.00 0.00 178.44 180.42 1qhb n ASN 193 N -4.18 0.00 -0.22 -0.43 3.02 -0.31 -1.28 115.26 111.86 1qhb n ASN 193 Ca -0.06 0.31 0.14 0.00 -0.03 0.00 0.00 54.58 54.95 1qhb n ASN 193 Cb 0.57 -0.41 0.63 0.00 -0.61 0.00 0.00 39.78 39.95 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 0.17 -0.62 3.83 7.41 0.00 -1.03 -4.47 105.19 110.47 1qhb n GLY 194 Ca 0.06 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 1qhb n GLY 194 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qhb s LEU 195 N -2.23 4.36 0.30 0.99 1.43 -0.41 -4.99 118.68 118.13 1qhb s LEU 195 Ca 0.35 0.52 0.05 0.00 -1.03 0.00 0.00 54.13 54.02 1qhb s LEU 195 Cb 0.21 -2.19 0.69 0.00 0.03 0.00 0.00 46.19 44.92 1qhb s LEU 195 CO 0.41 0.33 1.80 -0.08 0.23 0.00 0.00 176.35 179.04 1qhb h GLU 196 N 5.36 0.81 -0.38 1.70 4.81 -1.88 -0.97 114.58 124.04 1qhb h GLU 196 Ca -0.51 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 58.75 1qhb h GLU 196 Cb 1.21 -0.18 -0.07 0.00 0.63 0.00 0.00 28.75 30.34 1qhb h GLU 196 CO 0.63 0.54 -0.06 2.35 -0.73 0.00 0.00 179.01 181.74 1qhb h TRP 197 N 0.84 -0.14 0.05 0.92 2.91 -1.85 -2.07 115.95 116.61 1qhb h TRP 197 Ca 0.55 0.03 -0.26 0.00 1.13 0.00 0.00 58.89 60.34 1qhb h TRP 197 Cb 0.76 0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 29.51 1qhb h TRP 197 CO -0.00 -0.13 -1.31 0.74 -1.03 0.00 0.00 178.44 176.70 1qhb h PHE 198 N 0.03 0.20 -0.20 2.65 0.04 -1.56 -3.38 116.94 114.72 1qhb h PHE 198 Ca 0.18 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1qhb h PHE 198 Cb 0.28 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1qhb h PHE 198 CO -0.31 1.15 0.00 0.27 -0.60 0.00 0.00 178.31 178.81 1qhb n ASN 199 N -3.35 2.38 -3.89 2.17 0.23 -0.43 -3.10 115.26 109.28 1qhb n ASN 199 Ca -0.09 -1.81 -0.17 0.00 -0.53 0.00 0.00 54.58 51.98 1qhb n ASN 199 Cb 1.00 -0.12 -0.15 0.00 -2.08 0.00 0.00 39.78 38.43 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 -1.76 0.32 0.80 5.53 2.01 -0.79 -5.02 115.64 116.74 1qhb s THR 200 Ca 0.34 -0.07 -0.12 0.00 0.31 0.00 0.00 61.69 62.16 1qhb s THR 200 Cb 0.20 -0.34 0.07 0.00 0.01 0.00 0.00 72.50 72.44 1qhb s THR 200 CO 0.29 0.14 1.10 -2.16 -0.69 0.00 0.00 174.62 173.31 1qhb s PRO 201 N 0.54 2.03 1.06 4.92 0.04 -1.26 -4.73 135.00 137.60 1qhb s PRO 201 Ca -0.06 0.61 -0.12 0.00 0.04 0.00 0.00 61.00 61.47 1qhb s PRO 201 Cb -0.09 -1.92 0.23 0.00 0.04 0.00 0.00 34.50 32.76 1qhb s PRO 201 CO -0.01 -1.65 1.07 0.00 0.04 0.00 0.00 177.00 176.45 1qhb s ALA 202 N -3.17 0.31 0.12 8.56 0.00 -1.26 -5.04 121.76 121.28 1qhb s ALA 202 Ca 0.61 0.09 0.10 0.00 0.00 0.00 0.00 51.96 52.76 1qhb s ALA 202 Cb -0.14 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1qhb s ALA 202 CO 0.54 -3.37 -0.25 0.15 0.00 0.00 0.00 175.76 172.83 1qhb s LYS 203 N -4.57 1.29 0.19 0.00 1.02 -1.26 -5.06 119.74 111.35 1qhb s LYS 203 Ca 0.67 -1.28 -0.32 0.00 0.02 0.00 0.00 55.97 55.06 1qhb s LYS 203 Cb -0.23 -1.70 -0.12 0.00 -0.52 0.00 0.00 37.83 35.26 1qhb s LYS 203 CO 0.62 0.40 1.71 -0.11 -0.92 0.00 0.00 175.35 177.05 1qhb n LEU 204 N 0.97 3.85 0.00 3.17 7.94 -1.26 -1.23 117.00 130.43 1qhb n LEU 204 Ca -0.19 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.77 1qhb n LEU 204 Cb 0.53 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 42.94 1qhb n LEU 204 CO 0.23 0.10 0.00 0.61 -1.11 0.00 0.00 177.39 177.22 1qhb n GLY 205 N 3.91 1.40 3.74 -3.96 0.00 -1.26 -5.08 105.19 103.94 1qhb n GLY 205 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.65 4.75 0.28 1.61 1.01 -0.37 -4.93 116.67 118.37 1qhb s ASP 206 Ca 0.00 2.33 -0.30 0.00 0.71 0.00 0.00 52.55 55.28 1qhb s ASP 206 Cb 0.00 -2.59 -0.12 0.00 1.01 0.00 0.00 42.92 41.22 1qhb s ASP 206 CO 0.00 -1.89 1.62 -2.65 0.21 0.00 0.00 175.17 172.46 1qhb n PRO 207 N -2.18 2.71 -0.12 8.23 -0.02 -1.26 -4.85 135.00 137.51 1qhb n PRO 207 Ca 0.13 0.97 0.22 0.00 -2.02 0.00 0.00 63.50 62.79 1qhb n PRO 207 Cb 0.50 -2.76 0.64 0.00 -0.02 0.00 0.00 33.50 31.86 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 5.10 0.13 -0.28 0.52 0.11 -1.99 -1.16 132.00 134.43 1qhb h PRO 208 Ca -0.46 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 1qhb h PRO 208 Cb 1.22 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1qhb h PRO 208 CO 0.82 0.09 -0.35 0.00 -0.21 0.00 0.00 178.00 178.34 1qhb h ALA 209 N 1.65 0.87 -0.14 -0.75 0.00 -2.00 -1.86 119.26 117.02 1qhb h ALA 209 Ca 0.36 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1qhb h ALA 209 Cb 1.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1qhb h ALA 209 CO -0.05 0.63 0.02 0.93 0.00 0.00 0.00 179.25 180.79 1qhb h GLU 210 N 0.52 0.24 -0.61 0.00 5.08 -1.60 -2.51 114.58 115.70 1qhb h GLU 210 Ca 0.05 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 1qhb h GLU 210 Cb 0.85 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.01 1qhb h GLU 210 CO 0.07 0.42 0.30 0.82 -1.00 0.00 0.00 179.01 179.62 1qhb h ILE 211 N 0.02 0.90 -0.59 3.13 2.04 -1.20 -0.99 117.51 120.81 1qhb h ILE 211 Ca 0.04 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 1qhb h ILE 211 Cb 0.30 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1qhb h ILE 211 CO 0.00 0.10 0.18 -0.09 0.00 0.00 0.00 178.15 178.35 1qhb h ARG 212 N 0.55 0.89 -0.26 2.37 2.43 -1.21 -3.21 114.38 115.95 1qhb h ARG 212 Ca 0.29 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1qhb h ARG 212 Cb 0.25 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1qhb h ARG 212 CO -0.22 0.77 0.00 2.89 -1.51 0.00 0.00 179.97 181.90 1qhb n ARG 213 N -4.29 2.43 -2.30 0.20 1.85 -0.96 -4.96 116.66 108.64 1qhb n ARG 213 Ca 0.05 -2.13 -0.41 0.00 -1.00 0.00 0.00 57.85 54.35 1qhb n ARG 213 Cb 0.21 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.09 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 -1.68 4.43 0.10 2.89 3.52 -0.41 -5.02 118.95 122.78 1qhb s ARG 214 Ca 0.35 1.95 0.03 0.00 -0.13 0.00 0.00 55.73 57.93 1qhb s ARG 214 Cb 0.22 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 30.33 1qhb s ARG 214 CO 0.31 -0.20 0.11 1.03 -0.81 0.00 0.00 175.30 175.74 1qhb s ARG 215 N 0.07 2.96 0.00 5.12 0.52 -1.26 -5.04 118.95 121.32 1qhb s ARG 215 Ca 0.56 -0.69 0.00 0.00 -0.52 0.00 0.00 55.73 55.07 1qhb s ARG 215 Cb -0.34 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.38 1qhb s ARG 215 CO 0.36 0.55 0.00 0.41 0.02 0.00 0.00 175.30 176.64 1qhb n GLY 216 N 0.26 1.10 3.58 -3.53 0.00 -1.26 -4.20 105.19 101.14 1qhb n GLY 216 Ca -0.08 -1.85 -0.49 0.00 0.00 0.00 0.00 46.02 43.60 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 1.18 -3.04 1.61 2.13 -1.18 -4.81 120.64 116.54 1qhb n GLU 217 Ca 0.00 0.42 -0.40 0.00 0.66 0.00 0.00 57.16 57.84 1qhb n GLU 217 Cb 0.00 -1.93 -0.05 0.00 0.27 0.00 0.00 31.44 29.73 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 -0.14 5.00 0.33 6.31 1.01 -1.26 -5.00 120.40 126.65 1qhb s VAL 218 Ca 0.74 1.48 0.04 0.00 0.00 0.00 0.00 61.98 64.23 1qhb s VAL 218 Cb -0.85 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 31.42 1qhb s VAL 218 CO 0.52 0.27 0.07 0.42 0.00 0.00 0.00 175.10 176.38 1qhb s THR 219 N 0.66 1.06 0.45 3.92 -4.23 -1.26 -4.94 115.64 111.29 1qhb s THR 219 Ca 0.38 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.02 1qhb s THR 219 Cb -0.18 -2.71 0.20 0.00 1.34 0.00 0.00 72.50 71.15 1qhb s THR 219 CO 0.19 0.00 2.01 0.58 -0.54 0.00 0.00 174.62 176.86 1qhb h VAL 220 N 2.08 1.11 0.00 2.29 2.07 -1.96 -0.53 116.25 121.31 1qhb h VAL 220 Ca -0.40 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1qhb h VAL 220 Cb 1.25 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1qhb h VAL 220 CO 0.67 0.15 0.00 1.23 0.02 0.00 0.00 177.57 179.65 1qhb h GLY 221 N 0.48 0.00 0.00 2.17 0.00 -1.99 -3.24 103.07 100.50 1qhb h GLY 221 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1qhb h GLY 221 CO 0.01 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.71 1qhb n ASN 222 N -2.41 0.94 -4.68 0.19 0.23 -1.02 -4.91 115.26 103.60 1qhb n ASN 222 Ca 0.04 -1.03 -0.46 0.00 -0.53 0.00 0.00 54.58 52.61 1qhb n ASN 222 Cb 0.39 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.05 1qhb n ASN 222 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1qhb n LEU 223 N -0.01 3.54 -1.41 -4.53 7.94 -0.24 -2.00 117.00 120.29 1qhb n LEU 223 Ca 0.00 1.00 -0.17 0.00 -1.11 0.00 0.00 56.01 55.73 1qhb n LEU 223 Cb 0.03 -1.44 -0.07 0.00 0.53 0.00 0.00 43.42 42.47 1qhb n LEU 223 CO 0.00 -0.05 -0.17 0.49 -1.11 0.00 0.00 177.39 176.55 1qhb n PHE 224 N 5.48 -0.09 -3.92 1.96 3.72 -1.26 -5.01 117.46 118.34 1qhb n PHE 224 Ca 0.20 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.37 1qhb n PHE 224 Cb 0.32 -3.05 -0.02 0.00 -0.94 0.00 0.00 39.48 35.79 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 -3.63 3.45 0.67 -1.08 0.52 -0.84 -5.03 118.95 112.99 1qhb s ARG 225 Ca 0.00 -0.68 -0.03 0.00 -0.52 0.00 0.00 55.73 54.50 1qhb s ARG 225 Cb 0.00 -2.89 0.14 0.00 0.52 0.00 0.00 34.95 32.72 1qhb s ARG 225 CO 0.00 0.43 0.91 0.41 0.02 0.00 0.00 175.30 177.08 1qhb n GLY 226 N -1.22 0.26 0.06 -3.53 0.00 -1.26 -5.05 105.19 94.45 1qhb n GLY 226 Ca -0.08 -1.96 0.05 0.00 0.00 0.00 0.00 46.02 44.03 1qhb n GLY 226 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1qhb n ILE 227 N -2.83 1.47 -1.92 -0.61 -5.35 -1.26 -4.68 119.36 104.18 1qhb n ILE 227 Ca 0.14 -1.65 -0.38 0.00 -0.27 0.00 0.00 62.75 60.60 1qhb n ILE 227 Cb 0.51 0.12 0.03 0.00 -1.74 0.00 0.00 39.64 38.55 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 -1.97 3.91 0.14 7.28 1.43 -1.26 -4.90 118.68 123.32 1qhb s LEU 228 Ca 0.17 2.64 -0.33 0.00 -1.03 0.00 0.00 54.13 55.59 1qhb s LEU 228 Cb 0.15 -4.25 -0.12 0.00 0.03 0.00 0.00 46.19 41.99 1qhb s LEU 228 CO 0.02 -1.37 1.73 -2.65 0.23 0.00 0.00 176.35 174.31 1qhb n PRO 229 N -0.85 2.55 0.00 1.29 -0.02 -1.26 -1.42 135.00 135.30 1qhb n PRO 229 Ca 0.09 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 1qhb n PRO 229 Cb 0.46 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 1qhb n PRO 229 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qhb n GLY 230 N 3.92 2.39 0.25 -1.23 0.00 -1.26 -4.62 105.19 104.63 1qhb n GLY 230 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1qhb n GLY 230 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1qhb h SER 231 N 0.49 0.00 -0.61 1.61 0.02 -1.43 -2.92 113.55 110.71 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 0.17 0.00 -0.62 -1.14 0.00 0.00 176.83 175.24 1qhb n GLU 232 N -3.61 2.42 -4.28 3.45 1.02 -1.26 -4.86 120.64 113.52 1qhb n GLU 232 Ca -0.01 -2.20 -0.34 0.00 -0.02 0.00 0.00 57.16 54.58 1qhb n GLU 232 Cb 0.30 -1.48 -0.11 0.00 -0.02 0.00 0.00 31.44 30.13 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 -1.19 4.17 0.00 2.62 1.01 -1.10 -5.00 120.40 120.90 1qhb s VAL 233 Ca 0.41 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1qhb s VAL 233 Cb 0.21 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.75 1qhb s VAL 233 CO 0.28 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.47 1qhb n GLY 234 N 3.53 -1.43 3.71 4.51 0.00 -1.26 -4.90 105.19 109.35 1qhb n GLY 234 Ca -0.17 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.22 1qhb n GLY 234 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1qhb s PRO 235 N 0.00 1.82 0.09 1.61 0.02 -1.26 -4.94 135.00 132.34 1qhb s PRO 235 Ca 0.00 1.75 -0.29 0.00 0.02 0.00 0.00 61.00 62.48 1qhb s PRO 235 Cb 0.00 -1.80 -0.13 0.00 0.02 0.00 0.00 34.50 32.59 1qhb s PRO 235 CO 0.00 -2.08 1.64 -0.92 -0.33 0.00 0.00 177.00 175.31 1qhb h TYR 236 N -0.70 -0.75 -3.46 6.54 5.03 -1.90 -3.42 116.97 118.31 1qhb h TYR 236 Ca -0.47 0.00 -0.53 0.00 2.58 0.00 0.00 58.73 60.31 1qhb h TYR 236 Cb 1.30 0.28 -0.02 0.00 1.55 0.00 0.00 36.73 39.84 1qhb h TYR 236 CO 0.47 -0.41 0.34 -0.51 -1.32 0.00 0.00 178.16 176.73 1qhb s LEU 237 N -10.19 4.41 0.45 2.82 1.43 -1.26 -4.95 118.68 111.39 1qhb s LEU 237 Ca -0.16 1.67 -0.23 0.00 -1.03 0.00 0.00 54.13 54.37 1qhb s LEU 237 Cb 0.06 -3.53 -0.10 0.00 0.03 0.00 0.00 46.19 42.65 1qhb s LEU 237 CO 0.64 -0.17 1.01 -0.24 0.23 0.00 0.00 176.35 177.81 1qhb n SER 238 N 3.47 1.21 -0.28 2.29 2.88 -1.26 -4.87 113.62 117.05 1qhb n SER 238 Ca 0.04 1.00 0.14 0.00 -1.33 0.00 0.00 58.87 58.72 1qhb n SER 238 Cb 0.50 -1.36 0.40 0.00 -0.75 0.00 0.00 64.21 63.00 1qhb n SER 238 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1qhb h GLN 239 N 1.38 0.62 0.00 -1.46 1.08 -1.91 -2.63 115.11 112.19 1qhb h GLN 239 Ca -0.45 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 1qhb h GLN 239 Cb 1.34 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 1qhb h GLN 239 CO 0.56 0.41 0.00 1.19 -0.95 0.00 0.00 178.83 180.04 1qhb n PHE 240 N -4.59 0.00 0.77 2.96 3.72 -1.26 -1.06 117.46 117.99 1qhb n PHE 240 Ca 0.19 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.69 1qhb n PHE 240 Cb 0.55 -0.44 0.09 0.00 -0.94 0.00 0.00 39.48 38.74 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 -1.44 0.04 0.00 4.37 3.06 -0.99 -4.60 119.36 119.79 1qhb n ILE 241 Ca 0.05 -0.52 0.00 0.00 -2.50 0.00 0.00 62.75 59.78 1qhb n ILE 241 Cb 0.17 1.37 0.00 0.00 0.54 0.00 0.00 39.64 41.72 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 1.11 0.00 -1.84 9.51 -5.35 -0.82 -4.81 119.36 117.16 1qhb n ILE 242 Ca 0.12 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.29 1qhb n ILE 242 Cb 0.49 -0.39 0.02 0.00 -1.74 0.00 0.00 39.64 38.03 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 -1.58 4.31 0.00 7.28 -7.23 -0.23 -4.30 120.40 118.65 1qhb s VAL 243 Ca 0.00 0.75 0.00 0.00 -1.81 0.00 0.00 61.98 60.92 1qhb s VAL 243 Cb 0.00 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.23 1qhb s VAL 243 CO 0.00 -0.98 0.00 0.61 -0.31 0.00 0.00 175.10 174.42 1qhb n GLY 244 N -2.73 1.27 3.41 2.32 0.00 -0.45 -4.69 105.19 104.31 1qhb n GLY 244 Ca 0.06 -1.97 -0.21 0.00 0.00 0.00 0.00 46.02 43.90 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 2.03 0.49 1.61 1.04 0.26 -4.86 113.70 113.26 1qhb s SER 245 Ca 0.00 -1.53 -0.22 0.00 0.48 0.00 0.00 55.95 54.68 1qhb s SER 245 Cb 0.00 0.29 -0.09 0.00 0.10 0.00 0.00 66.02 66.33 1qhb s SER 245 CO 0.00 -0.82 0.93 1.17 0.98 0.00 0.00 173.24 175.50 1qhb n LYS 246 N -0.68 1.11 -4.17 4.02 4.81 -1.26 -3.88 118.16 118.11 1qhb n LYS 246 Ca -0.02 0.41 -0.22 0.00 -0.87 0.00 0.00 58.31 57.61 1qhb n LYS 246 Cb 0.65 -2.03 -0.06 0.00 0.02 0.00 0.00 35.03 33.62 1qhb n LYS 246 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1qhb s GLN 247 N -2.23 2.60 0.26 1.64 -1.52 -1.26 -4.43 119.66 114.72 1qhb s GLN 247 Ca 0.67 -1.27 -0.31 0.00 -1.95 0.00 0.00 55.36 52.51 1qhb s GLN 247 Cb -0.50 -2.35 -0.13 0.00 -0.22 0.00 0.00 33.01 29.81 1qhb s GLN 247 CO 0.54 0.34 1.50 -0.89 -0.25 0.00 0.00 175.29 176.53 1qhb n ILE 248 N -1.07 0.91 0.00 1.08 2.08 -1.26 -2.08 119.36 119.02 1qhb n ILE 248 Ca -0.06 -0.23 0.00 0.00 0.56 0.00 0.00 62.75 63.02 1qhb n ILE 248 Cb 0.59 -1.69 0.00 0.00 -0.75 0.00 0.00 39.64 37.79 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 2.26 2.32 3.59 7.39 0.00 -1.26 -4.66 105.19 114.84 1qhb n GLY 249 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.54 6.58 0.09 1.61 0.01 -0.88 -3.12 113.70 117.44 1qhb s SER 250 Ca 0.00 0.45 -0.22 0.00 1.31 0.00 0.00 55.95 57.49 1qhb s SER 250 Cb 0.00 -2.40 0.05 0.00 0.21 0.00 0.00 66.02 63.89 1qhb s SER 250 CO 0.00 -0.70 0.53 0.00 0.41 0.00 0.00 173.24 173.48 1qhb s ALA 251 N 3.06 -1.36 -0.28 1.44 0.00 -0.87 -4.92 121.76 118.83 1qhb s ALA 251 Ca 0.32 0.49 -0.06 0.00 0.00 0.00 0.00 51.96 52.70 1qhb s ALA 251 Cb -0.13 0.57 0.00 0.00 0.00 0.00 0.00 23.12 23.55 1qhb s ALA 251 CO 0.16 -0.60 0.06 0.99 0.00 0.00 0.00 175.76 176.37 1qhb s THR 252 N -3.01 3.91 -0.42 0.00 2.01 -1.26 0.10 115.64 116.96 1qhb s THR 252 Ca -0.02 -0.62 -0.06 0.00 0.31 0.00 0.00 61.69 61.30 1qhb s THR 252 Cb -0.00 -2.97 0.10 0.00 0.01 0.00 0.00 72.50 69.64 1qhb s THR 252 CO -0.06 0.15 0.25 -0.69 -0.69 0.00 0.00 174.62 173.58 1qhb s VAL 253 N 1.51 3.76 0.00 3.82 1.01 0.11 -4.97 120.40 125.64 1qhb s VAL 253 Ca 0.03 -1.79 0.00 0.00 0.00 0.00 0.00 61.98 60.22 1qhb s VAL 253 Cb -0.17 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1qhb s VAL 253 CO 0.02 -0.65 0.00 0.61 0.00 0.00 0.00 175.10 175.08 1qhb n GLY 254 N 4.76 4.24 0.88 4.51 0.00 -1.26 -1.07 105.19 117.25 1qhb n GLY 254 Ca -0.06 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.17 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 8.14 2.64 -4.64 1.61 0.23 -1.26 -4.88 115.26 117.11 1qhb n ASN 255 Ca 0.00 -1.88 -0.34 0.00 -0.53 0.00 0.00 54.58 51.83 1qhb n ASN 255 Cb 0.00 -0.19 -0.10 0.00 -2.08 0.00 0.00 39.78 37.41 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 -1.62 3.92 -0.26 -3.83 2.20 -0.24 -5.09 119.74 114.83 1qhb s LYS 256 Ca 0.35 -0.35 -0.10 0.00 -0.36 0.00 0.00 55.97 55.52 1qhb s LYS 256 Cb 0.20 -3.19 -0.05 0.00 -1.51 0.00 0.00 37.83 33.29 1qhb s LYS 256 CO 0.29 0.30 0.16 0.99 -0.36 0.00 0.00 175.35 176.72 1qhb s THR 257 N 0.28 5.17 -0.03 3.43 2.01 -1.26 0.09 115.64 125.33 1qhb s THR 257 Ca 0.03 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.17 1qhb s THR 257 Cb -0.12 -3.43 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 1qhb s THR 257 CO 0.00 0.31 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.43 1qhb s LEU 258 N 1.40 3.28 -0.14 4.42 1.43 0.11 -4.98 118.68 124.20 1qhb s LEU 258 Ca 0.07 -0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 1qhb s LEU 258 Cb -0.15 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1qhb s LEU 258 CO 0.07 0.32 -0.09 -0.69 0.23 0.00 0.00 176.35 176.19 1qhb s VAL 259 N -0.93 3.41 0.40 -1.59 1.01 -1.24 -2.05 120.40 119.41 1qhb s VAL 259 Ca 0.15 -0.53 -0.26 0.00 0.00 0.00 0.00 61.98 61.34 1qhb s VAL 259 Cb -0.11 -2.46 -0.09 0.00 0.00 0.00 0.00 36.38 33.73 1qhb s VAL 259 CO 0.05 0.52 1.24 -0.55 0.00 0.00 0.00 175.10 176.35 1qhb s SER 260 N 0.28 6.42 0.14 3.32 0.15 -1.18 -4.67 113.70 118.17 1qhb s SER 260 Ca -0.07 2.50 0.16 0.00 0.70 0.00 0.00 55.95 59.24 1qhb s SER 260 Cb -0.15 -2.63 0.72 0.00 -1.71 0.00 0.00 66.02 62.25 1qhb s SER 260 CO 0.04 -0.76 1.49 -0.81 1.20 0.00 0.00 173.24 174.41 1qhb n PRO 261 N 0.12 0.09 -0.47 5.44 -0.04 -1.26 -1.71 135.00 137.17 1qhb n PRO 261 Ca 0.04 0.43 0.05 0.00 -0.04 0.00 0.00 63.50 63.98 1qhb n PRO 261 Cb 0.45 -1.71 0.21 0.00 -0.04 0.00 0.00 33.50 32.41 1qhb n PRO 261 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1qhb n ASN 262 N -1.88 2.88 -0.00 3.54 3.02 -1.26 -4.78 115.26 116.77 1qhb n ASN 262 Ca 0.01 -3.34 0.12 0.00 -0.03 0.00 0.00 54.58 51.34 1qhb n ASN 262 Cb 0.13 -0.54 0.54 0.00 -0.61 0.00 0.00 39.78 39.30 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 1.04 2.05 0.00 5.41 0.00 -1.70 -0.56 119.26 125.50 1qhb h ALA 263 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1qhb h ALA 263 Cb 1.35 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1qhb h ALA 263 CO 0.19 -0.15 -0.03 0.00 0.00 0.00 0.00 179.25 179.26 1qhb h ALA 264 N 1.76 1.44 -0.45 0.00 0.00 -1.86 -2.67 119.26 117.47 1qhb h ALA 264 Ca 0.21 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.23 1qhb h ALA 264 Cb 0.45 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1qhb h ALA 264 CO -0.05 0.04 0.34 -0.44 0.00 0.00 0.00 179.25 179.14 1qhb h ASP 265 N 0.00 0.00 -0.54 0.00 3.32 -1.46 -1.42 116.42 116.32 1qhb h ASP 265 Ca -0.00 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.10 1qhb h ASP 265 Cb 0.08 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 1qhb h ASP 265 CO 0.00 0.00 0.26 -0.08 -1.72 0.00 0.00 179.24 177.71 1qhb h GLU 266 N 0.00 0.49 -0.10 3.56 4.81 -1.58 -1.61 114.58 120.15 1qhb h GLU 266 Ca 0.21 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1qhb h GLU 266 Cb 0.89 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1qhb h GLU 266 CO -0.00 0.33 0.00 1.19 -0.73 0.00 0.00 179.01 179.79 1qhb n PHE 267 N -4.89 0.13 -1.12 0.92 3.72 -0.54 -1.34 117.46 114.34 1qhb n PHE 267 Ca 0.05 -0.07 0.09 0.00 -0.05 0.00 0.00 57.45 57.48 1qhb n PHE 267 Cb 0.16 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 38.83 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 -0.23 2.23 0.00 4.37 2.03 -0.66 -4.34 116.55 119.95 1qhb n ASP 268 Ca 0.06 -3.05 0.00 0.00 0.52 0.00 0.00 54.79 52.32 1qhb n ASP 268 Cb 0.10 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 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 0.48 3.49 0.27 0.00 -1.17 -4.87 105.19 102.03 1qhb n GLY 269 Ca 0.15 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.79 3.40 -0.16 1.61 0.41 -0.90 -0.68 118.70 119.59 1qhb s GLU 270 Ca 0.00 -0.70 -0.18 0.00 -0.41 0.00 0.00 54.97 53.68 1qhb s GLU 270 Cb 0.00 -3.71 -0.04 0.00 -1.78 0.00 0.00 34.13 28.60 1qhb s GLU 270 CO 0.00 -0.45 0.50 0.42 -0.49 0.00 0.00 175.26 175.24 1qhb s ILE 271 N 1.67 5.14 -0.17 -1.63 1.01 0.14 -0.58 121.20 126.79 1qhb s ILE 271 Ca 0.05 0.96 -0.29 0.00 0.00 0.00 0.00 60.65 61.37 1qhb s ILE 271 Cb -0.17 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1qhb s ILE 271 CO 0.09 0.25 1.66 0.00 0.00 0.00 0.00 174.94 176.94 1qhb s ALA 272 N 1.14 3.36 -0.68 9.38 0.00 -1.26 -0.83 121.76 132.86 1qhb s ALA 272 Ca 0.25 0.64 -0.00 0.00 0.00 0.00 0.00 51.96 52.85 1qhb s ALA 272 Cb -0.15 -3.83 0.17 0.00 0.00 0.00 0.00 23.12 19.31 1qhb s ALA 272 CO 0.10 -1.81 0.49 -0.47 0.00 0.00 0.00 175.76 174.07 1qhb s TYR 273 N 4.98 3.49 0.00 0.00 5.04 0.25 -4.86 117.35 126.25 1qhb s TYR 273 Ca 0.74 -2.96 0.00 0.00 -2.44 0.00 0.00 57.07 52.40 1qhb s TYR 273 Cb -0.28 -3.07 0.00 0.00 0.35 0.00 0.00 41.96 38.96 1qhb s TYR 273 CO 0.30 -0.76 0.00 0.41 -1.34 0.00 0.00 175.55 174.16 1qhb n GLY 274 N 2.94 3.23 0.50 8.97 0.00 -1.26 -1.93 105.19 117.64 1qhb n GLY 274 Ca 0.12 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.14 1qhb n GLY 274 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qhb n SER 275 N 9.32 2.09 -1.55 1.61 7.64 -1.26 -4.94 113.62 126.53 1qhb n SER 275 Ca 0.00 -1.55 0.00 0.00 1.01 0.00 0.00 58.87 58.33 1qhb n SER 275 Cb 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.66 0.00 -4.17 0.44 -5.35 -0.81 -5.11 119.36 105.02 1qhb n ILE 276 Ca 0.07 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.44 1qhb n ILE 276 Cb 0.31 -0.44 -0.10 0.00 -1.74 0.00 0.00 39.64 37.67 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 0.23 0.74 -0.11 7.28 -4.23 -1.26 -0.58 115.64 117.70 1qhb s THR 277 Ca 0.00 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 1qhb s THR 277 Cb 0.00 -1.61 -0.02 0.00 1.34 0.00 0.00 72.50 72.21 1qhb s THR 277 CO 0.00 -0.81 -0.12 -0.63 -0.54 0.00 0.00 174.62 172.52 1qhb s ILE 278 N -3.38 3.20 -0.13 2.99 1.01 -0.01 -4.84 121.20 120.03 1qhb s ILE 278 Ca 0.10 -0.62 -0.11 0.00 0.00 0.00 0.00 60.65 60.02 1qhb s ILE 278 Cb 0.04 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.13 1qhb s ILE 278 CO -0.04 0.54 0.23 -0.55 0.00 0.00 0.00 174.94 175.12 1qhb s SER 279 N 0.09 6.43 0.00 3.58 0.15 -1.26 0.24 113.70 122.92 1qhb s SER 279 Ca -0.05 0.51 0.31 0.00 0.70 0.00 0.00 55.95 57.42 1qhb s SER 279 Cb -0.14 -2.14 1.70 0.00 -1.71 0.00 0.00 66.02 63.73 1qhb s SER 279 CO 0.04 0.24 2.13 0.00 1.20 0.00 0.00 173.24 176.86 1qhb n GLN 280 N 2.83 0.76 -2.55 5.44 1.13 0.14 -4.85 117.38 120.28 1qhb n GLN 280 Ca -0.15 -0.03 -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 -2.26 4.51 0.02 -1.09 0.52 -1.26 -4.60 118.95 114.78 1qhb s ARG 281 Ca 0.39 1.63 -0.05 0.00 -0.52 0.00 0.00 55.73 57.18 1qhb s ARG 281 Cb 0.21 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 1qhb s ARG 281 CO 0.41 -0.12 0.24 0.54 0.02 0.00 0.00 175.30 176.40 1qhb s VAL 282 N 0.80 5.35 0.64 3.52 0.11 0.06 -4.66 120.40 126.22 1qhb s VAL 282 Ca 0.55 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.42 1qhb s VAL 282 Cb -0.26 -3.56 -0.01 0.00 -1.53 0.00 0.00 36.38 31.01 1qhb s VAL 282 CO 0.30 0.31 1.27 -0.13 -3.33 0.00 0.00 175.10 173.52 1qhb s ARG 283 N -1.94 2.59 -0.40 1.54 1.81 -1.26 -1.65 118.95 119.63 1qhb s ARG 283 Ca 0.29 2.00 -0.11 0.00 -1.72 0.00 0.00 55.73 56.19 1qhb s ARG 283 Cb -0.13 -1.86 0.05 0.00 -0.45 0.00 0.00 34.95 32.56 1qhb s ARG 283 CO 0.18 -1.55 0.25 0.42 -0.68 0.00 0.00 175.30 173.93 1qhb s ILE 284 N -1.48 4.55 0.35 1.52 1.01 -1.26 -4.87 121.20 121.02 1qhb s ILE 284 Ca 0.81 -1.08 -0.26 0.00 0.00 0.00 0.00 60.65 60.12 1qhb s ILE 284 Cb -0.36 -3.65 -0.09 0.00 0.01 0.00 0.00 42.46 38.37 1qhb s ILE 284 CO 0.39 -0.38 1.06 0.00 0.00 0.00 0.00 174.94 176.00 1qhb s ALA 285 N 1.52 3.21 -0.30 9.38 0.00 -1.26 -0.67 121.76 133.64 1qhb s ALA 285 Ca 0.03 0.76 -0.41 0.00 0.00 0.00 0.00 51.96 52.34 1qhb s ALA 285 Cb -0.21 -3.28 -0.16 0.00 0.00 0.00 0.00 23.12 19.46 1qhb s ALA 285 CO 0.05 -0.16 1.76 2.41 0.00 0.00 0.00 175.76 179.81 1qhb n THR 286 N 0.45 0.29 -1.86 0.00 -1.04 -0.91 -4.77 114.28 106.44 1qhb n THR 286 Ca 0.02 -0.06 -0.39 0.00 -2.04 0.00 0.00 64.05 61.58 1qhb n THR 286 Cb 0.48 -1.19 0.02 0.00 -1.82 0.00 0.00 70.33 67.81 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 3.64 3.66 0.00 -2.82 0.02 -1.26 -2.91 135.00 135.33 1qhb s PRO 287 Ca 0.99 2.32 0.00 0.00 0.02 0.00 0.00 61.00 64.33 1qhb s PRO 287 Cb -1.10 -2.61 0.00 0.00 0.02 0.00 0.00 34.50 30.81 1qhb s PRO 287 CO 0.67 -0.80 0.00 0.41 -0.33 0.00 0.00 177.00 176.95 1qhb n GLY 288 N 0.61 0.55 3.47 0.52 0.00 -1.26 -4.98 105.19 104.10 1qhb n GLY 288 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.47 3.36 0.33 1.61 3.52 -1.14 -5.02 118.95 121.13 1qhb s ARG 289 Ca 0.00 -0.72 0.09 0.00 -0.13 0.00 0.00 55.73 54.98 1qhb s ARG 289 Cb 0.00 -3.66 -0.05 0.00 -1.56 0.00 0.00 34.95 29.68 1qhb s ARG 289 CO 0.00 -0.44 -0.03 -0.51 -0.81 0.00 0.00 175.30 173.51 1qhb s ASP 290 N 1.65 4.08 0.32 -2.12 1.01 -1.26 -4.94 116.67 115.41 1qhb s ASP 290 Ca 0.05 -0.99 0.05 0.00 0.71 0.00 0.00 52.55 52.37 1qhb s ASP 290 Cb -0.17 -0.51 -0.06 0.00 1.01 0.00 0.00 42.92 43.18 1qhb s ASP 290 CO 0.08 -0.17 0.01 -0.36 0.21 0.00 0.00 175.17 174.93 1qhb s PHE 291 N -2.51 2.03 -1.37 4.23 0.08 0.16 -4.86 117.98 115.75 1qhb s PHE 291 Ca 0.33 -0.82 -0.09 0.00 0.12 0.00 0.00 56.93 56.47 1qhb s PHE 291 Cb -0.01 -1.28 0.02 0.00 -0.57 0.00 0.00 43.02 41.18 1qhb s PHE 291 CO 0.18 0.17 1.17 -1.33 -0.10 0.00 0.00 175.22 175.32 1qhb n MET 292 N -0.68 -7.78 0.00 0.44 2.81 -1.26 -1.43 117.12 109.22 1qhb n MET 292 Ca -0.04 0.81 0.11 0.00 -1.81 0.00 0.00 57.70 56.77 1qhb n MET 292 Cb 0.65 -5.86 0.01 0.00 -0.71 0.00 0.00 33.22 27.32 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 -4.98 0.00 -4.46 2.03 -2.24 -1.26 -4.73 114.28 98.64 1qhb n THR 293 Ca 0.01 -0.31 -0.34 0.00 -2.27 0.00 0.00 64.05 61.14 1qhb n THR 293 Cb 0.56 1.29 -0.11 0.00 -2.10 0.00 0.00 70.33 69.97 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 -2.33 4.88 0.16 3.42 2.15 -1.26 -4.81 116.67 118.88 1qhb s ASP 294 Ca 0.20 -0.02 -0.15 0.00 0.43 0.00 0.00 52.55 53.00 1qhb s ASP 294 Cb 0.18 -1.50 0.05 0.00 -0.30 0.00 0.00 42.92 41.35 1qhb s ASP 294 CO 0.51 0.29 1.79 0.25 -0.17 0.00 0.00 175.17 177.84 1qhb h LEU 295 N 5.81 0.37 -0.75 -1.34 5.85 -1.94 -0.59 115.31 122.73 1qhb h LEU 295 Ca -0.42 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.21 1qhb h LEU 295 Cb 1.18 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1qhb h LEU 295 CO 0.57 0.27 -0.11 0.11 -0.34 0.00 0.00 178.44 178.93 1qhb h LYS 296 N 0.47 0.84 -0.46 1.25 1.57 -1.96 0.19 116.57 118.47 1qhb h LYS 296 Ca 0.17 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1qhb h LYS 296 Cb 0.03 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1qhb h LYS 296 CO -0.09 0.91 0.19 0.28 -0.57 0.00 0.00 179.45 180.17 1qhb h VAL 297 N 0.75 1.20 -0.74 0.50 2.07 -1.88 -1.43 116.25 116.73 1qhb h VAL 297 Ca 0.12 -0.63 0.04 0.00 0.82 0.00 0.00 66.70 67.06 1qhb h VAL 297 Cb 0.62 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 1qhb h VAL 297 CO 0.04 0.23 0.46 0.15 0.02 0.00 0.00 177.57 178.47 1qhb h PHE 298 N 0.60 0.85 -0.28 1.57 3.57 -0.90 -1.07 116.94 121.28 1qhb h PHE 298 Ca 0.15 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.54 1qhb h PHE 298 Cb 0.19 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1qhb h PHE 298 CO 0.00 0.46 -0.38 -0.07 -2.23 0.00 0.00 178.31 176.09 1qhb h LEU 299 N 0.87 0.69 -0.83 0.59 3.38 -0.68 -1.26 115.31 118.06 1qhb h LEU 299 Ca 0.31 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1qhb h LEU 299 Cb 0.08 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1qhb h LEU 299 CO -0.13 1.00 0.52 0.44 0.09 0.00 0.00 178.44 180.36 1qhb h ASP 300 N 0.54 0.98 -0.57 -0.43 3.32 -0.55 -0.23 116.42 119.47 1qhb h ASP 300 Ca 0.05 -0.05 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 1qhb h ASP 300 Cb 0.90 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 1qhb h ASP 300 CO 0.08 0.74 -0.06 0.58 -1.72 0.00 0.00 179.24 178.86 1qhb h VAL 301 N 1.13 1.27 0.00 -1.35 2.07 -0.90 -0.01 116.25 118.46 1qhb h VAL 301 Ca 0.30 -1.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 1qhb h VAL 301 Cb -0.08 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1qhb h VAL 301 CO -0.06 0.44 -0.16 1.56 0.02 0.00 0.00 177.57 179.37 1qhb h GLN 302 N 0.94 0.00 -0.67 1.57 1.08 -0.71 -0.70 115.11 116.62 1qhb h GLN 302 Ca 0.15 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1qhb h GLN 302 Cb 0.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1qhb h GLN 302 CO 0.04 0.16 0.00 -0.25 -0.95 0.00 0.00 178.83 177.83 1qhb n ASP 303 N -3.92 3.27 0.00 1.46 8.00 -0.15 -0.41 116.55 124.80 1qhb n ASP 303 Ca -0.02 -2.38 0.00 0.00 0.71 0.00 0.00 54.79 53.10 1qhb n ASP 303 Cb 0.25 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 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 0.46 0.00 -1.76 2.24 0.00 -0.27 -3.86 120.51 117.32 1qhb n ALA 304 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.17 1qhb n ALA 304 Cb 0.66 -0.32 -0.03 0.00 0.00 0.00 0.00 19.45 19.76 1qhb n ALA 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qhb s ALA 305 N -2.00 3.80 -0.94 0.00 0.00 -0.09 -1.88 121.76 120.65 1qhb s ALA 305 Ca 0.00 1.45 -0.22 0.00 0.00 0.00 0.00 51.96 53.20 1qhb s ALA 305 Cb 0.00 -3.73 0.08 0.00 0.00 0.00 0.00 23.12 19.47 1qhb s ALA 305 CO 0.00 -1.10 1.28 0.34 0.00 0.00 0.00 175.76 176.28 1qhb s ASP 306 N 2.18 6.50 0.00 0.00 -1.08 -0.31 -4.70 116.67 119.27 1qhb s ASP 306 Ca 0.78 -1.57 0.19 0.00 -0.52 0.00 0.00 52.55 51.43 1qhb s ASP 306 Cb -0.46 -2.49 0.54 0.00 -1.46 0.00 0.00 42.92 39.04 1qhb s ASP 306 CO 0.34 -1.36 1.44 0.49 0.52 0.00 0.00 175.17 176.60 1qhb n PHE 307 N 7.96 0.47 -1.68 -5.34 3.72 -1.26 -4.79 117.46 116.53 1qhb n PHE 307 Ca 0.25 -0.23 -0.44 0.00 -0.05 0.00 0.00 57.45 56.98 1qhb n PHE 307 Cb 0.50 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.02 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 2.03 -0.64 -1.08 1.74 -1.26 -2.59 116.66 115.73 1qhb n ARG 308 Ca 0.17 0.72 0.00 0.00 -0.77 0.00 0.00 57.85 57.97 1qhb n ARG 308 Cb 0.43 -2.31 0.00 0.00 -1.02 0.00 0.00 32.46 29.56 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 1.35 0.66 0.03 -0.13 0.00 -1.26 -4.97 105.19 100.87 1qhb n GLY 309 Ca 0.08 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.64 0.23 -1.52 1.61 7.35 -1.07 -4.92 117.46 116.50 1qhb n PHE 310 Ca 0.00 0.07 -0.34 0.00 -0.76 0.00 0.00 57.45 56.41 1qhb n PHE 310 Cb 0.00 -0.45 0.08 0.00 0.35 0.00 0.00 39.48 39.46 1qhb n PHE 310 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1qhb s GLU 311 N -3.06 2.30 0.18 -4.13 8.01 -1.26 -5.03 118.70 115.70 1qhb s GLU 311 Ca 0.10 1.70 0.08 0.00 0.01 0.00 0.00 54.97 56.86 1qhb s GLU 311 Cb 0.16 -1.86 -0.04 0.00 -4.31 0.00 0.00 34.13 28.08 1qhb s GLU 311 CO 0.68 -1.70 -0.04 -1.54 0.01 0.00 0.00 175.26 172.67 1qhb s SER 312 N -2.09 4.56 0.17 -0.19 1.04 -1.26 -5.08 113.70 110.86 1qhb s SER 312 Ca 0.73 -0.47 0.05 0.00 0.48 0.00 0.00 55.95 56.74 1qhb s SER 312 Cb -0.28 -0.90 -0.05 0.00 0.10 0.00 0.00 66.02 64.90 1qhb s SER 312 CO 0.44 0.09 -0.09 -0.31 0.98 0.00 0.00 173.24 174.35 1qhb s TYR 313 N -1.73 1.41 0.44 5.02 1.51 -1.26 -2.14 117.35 120.60 1qhb s TYR 313 Ca 0.26 -0.75 -0.04 0.00 -1.01 0.00 0.00 57.07 55.54 1qhb s TYR 313 Cb -0.09 -0.72 -0.04 0.00 -0.11 0.00 0.00 41.96 41.00 1qhb s TYR 313 CO 0.17 0.12 0.72 -1.21 -1.11 0.00 0.00 175.55 174.24 1qhb s GLU 314 N -3.75 3.54 0.50 -0.62 0.41 0.16 -4.81 118.70 114.14 1qhb s GLU 314 Ca 0.20 0.08 -0.23 0.00 -0.41 0.00 0.00 54.97 54.61 1qhb s GLU 314 Cb 0.02 -2.45 -0.06 0.00 -1.78 0.00 0.00 34.13 29.86 1qhb s GLU 314 CO 0.03 -0.10 1.29 -2.14 -0.49 0.00 0.00 175.26 173.86 1qhb s PRO 315 N -4.56 3.44 1.29 0.39 0.02 -1.26 -4.43 135.00 129.88 1qhb s PRO 315 Ca 0.46 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.56 1qhb s PRO 315 Cb -0.10 -2.37 0.00 0.00 0.02 0.00 0.00 34.50 32.05 1qhb s PRO 315 CO 0.42 -0.91 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 1qhb n GLY 316 N 0.62 -0.89 3.43 0.52 0.00 -1.26 -4.93 105.19 102.68 1qhb n GLY 316 Ca 0.09 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.49 -1.58 0.12 4.61 0.00 -1.26 -4.33 121.76 117.81 1qhb s ALA 317 Ca 0.00 0.61 -0.13 0.00 0.00 0.00 0.00 51.96 52.44 1qhb s ALA 317 Cb 0.00 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.85 1qhb s ALA 317 CO 0.00 -0.69 0.31 -0.98 0.00 0.00 0.00 175.76 174.41 1qhb s ARG 318 N -3.27 1.00 0.46 0.00 1.70 -0.66 -4.83 118.95 113.35 1qhb s ARG 318 Ca -0.01 -0.85 -0.25 0.00 -0.47 0.00 0.00 55.73 54.15 1qhb s ARG 318 Cb -0.01 0.41 -0.08 0.00 -0.57 0.00 0.00 34.95 34.71 1qhb s ARG 318 CO -0.09 -0.37 1.41 -0.51 -1.08 0.00 0.00 175.30 174.66 1qhb s LEU 319 N -2.84 4.10 -0.06 -1.89 1.43 -1.26 -0.76 118.68 117.39 1qhb s LEU 319 Ca 0.05 2.87 -0.38 0.00 -1.03 0.00 0.00 54.13 55.64 1qhb s LEU 319 Cb 0.03 -3.97 -0.17 0.00 0.03 0.00 0.00 46.19 42.12 1qhb s LEU 319 CO -0.10 -1.18 1.48 -0.38 0.23 0.00 0.00 176.35 176.39 1qhb n ILE 320 N -0.25 0.11 0.00 -0.59 5.41 -1.26 -4.83 119.36 117.96 1qhb n ILE 320 Ca 0.05 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1qhb n ILE 320 Cb 0.42 -0.92 0.00 0.00 -0.71 0.00 0.00 39.64 38.43 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 3.55 0.00 -4.03 0.38 0.63 -1.26 -4.87 116.66 111.05 1qhb n ARG 321 Ca 0.22 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.90 1qhb n ARG 321 Cb 0.16 -0.46 -0.05 0.00 0.45 0.00 0.00 32.46 32.56 1qhb n ARG 321 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1qhb s THR 322 N -2.00 2.16 0.24 5.15 -4.23 -1.26 -1.44 115.64 114.26 1qhb s THR 322 Ca 0.00 -1.62 -0.04 0.00 -1.18 0.00 0.00 61.69 58.85 1qhb s THR 322 Cb 0.00 -2.78 0.21 0.00 1.34 0.00 0.00 72.50 71.28 1qhb s THR 322 CO 0.00 0.00 1.82 0.40 -0.54 0.00 0.00 174.62 176.30 1qhb h ILE 323 N 1.23 0.94 -0.95 2.99 2.04 -1.43 -1.20 117.51 121.13 1qhb h ILE 323 Ca -0.41 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.21 1qhb h ILE 323 Cb 1.27 0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 1qhb h ILE 323 CO 0.66 0.15 0.62 -0.09 0.00 0.00 0.00 178.15 179.49 1qhb h ARG 324 N 0.83 1.12 -0.64 2.37 2.43 -1.30 -1.44 114.38 117.75 1qhb h ARG 324 Ca 0.39 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.47 1qhb h ARG 324 Cb 0.32 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 1qhb h ARG 324 CO -0.23 0.74 0.30 -0.44 -1.51 0.00 0.00 179.97 178.84 1qhb h ASP 325 N 1.16 0.85 -0.76 -3.80 3.32 -1.51 0.31 116.42 115.99 1qhb h ASP 325 Ca 0.39 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.25 1qhb h ASP 325 Cb 0.08 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 1qhb h ASP 325 CO -0.13 0.75 0.28 0.25 -1.72 0.00 0.00 179.24 178.66 1qhb h LEU 326 N 0.89 1.07 -0.74 1.55 5.85 -1.06 -0.03 115.31 122.84 1qhb h LEU 326 Ca 0.22 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1qhb h LEU 326 Cb 0.13 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1qhb h LEU 326 CO -0.03 0.97 0.44 0.00 -0.34 0.00 0.00 178.44 179.48 1qhb h ALA 327 N 1.14 0.94 -0.79 1.25 0.00 -0.95 -1.87 119.26 118.99 1qhb h ALA 327 Ca 0.25 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1qhb h ALA 327 Cb 0.25 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1qhb h ALA 327 CO -0.02 0.42 0.38 1.15 0.00 0.00 0.00 179.25 181.19 1qhb h THR 328 N 1.01 1.25 -0.35 0.00 2.02 0.17 -2.41 112.91 114.60 1qhb h THR 328 Ca 0.26 -0.68 0.07 0.00 0.77 0.00 0.00 66.41 66.83 1qhb h THR 328 Cb -0.02 0.25 -0.06 0.00 -1.74 0.00 0.00 68.15 66.58 1qhb h THR 328 CO -0.05 0.29 -0.03 -0.25 0.37 0.00 0.00 175.52 175.85 1qhb h TRP 329 N 1.11 -0.08 -0.05 3.16 7.01 -0.22 -2.24 115.95 124.64 1qhb h TRP 329 Ca 0.27 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.30 1qhb h TRP 329 Cb 0.11 0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.26 1qhb h TRP 329 CO 0.01 -0.10 0.00 1.33 -2.79 0.00 0.00 178.44 176.89 1qhb n VAL 330 N -5.22 0.06 -0.05 2.65 0.24 -0.93 -3.07 118.33 112.01 1qhb n VAL 330 Ca 0.01 -0.11 -0.16 0.00 -2.04 0.00 0.00 64.34 62.05 1qhb n VAL 330 Cb 0.19 -0.08 -0.06 0.00 -1.47 0.00 0.00 33.84 32.41 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 0.73 0.93 0.00 6.34 6.17 -0.88 -3.38 115.15 125.06 1qhb h HIS 331 Ca 0.00 -0.37 0.00 0.00 0.71 0.00 0.00 60.37 60.71 1qhb h HIS 331 Cb 0.16 -0.16 0.00 0.00 2.52 0.00 0.00 27.41 29.93 1qhb h HIS 331 CO 0.03 1.17 0.00 1.19 0.71 0.00 0.00 177.93 181.03 1qhb n PHE 332 N -4.10 0.00 -1.74 5.26 3.72 -1.23 -5.07 117.46 114.29 1qhb n PHE 332 Ca -0.06 -0.21 -0.38 0.00 -0.05 0.00 0.00 57.45 56.75 1qhb n PHE 332 Cb 0.62 -0.02 0.05 0.00 -0.94 0.00 0.00 39.48 39.20 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 -0.21 2.50 -4.76 4.37 5.75 -1.17 -4.95 116.55 118.08 1qhb n ASP 333 Ca 0.00 0.93 -0.34 0.00 -0.01 0.00 0.00 54.79 55.36 1qhb n ASP 333 Cb 0.23 -1.57 0.03 0.00 -1.03 0.00 0.00 41.12 38.78 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 -1.08 5.29 0.32 -1.12 1.04 -1.26 -4.92 113.70 111.98 1qhb s SER 334 Ca 0.76 2.17 0.07 0.00 0.48 0.00 0.00 55.95 59.42 1qhb s SER 334 Cb -0.40 -2.57 0.56 0.00 0.10 0.00 0.00 66.02 63.70 1qhb s SER 334 CO 0.46 -1.51 1.77 -0.07 0.98 0.00 0.00 173.24 174.87 1qhb h LEU 335 N 0.61 0.27 -1.66 2.42 4.07 -1.99 -2.11 115.31 116.93 1qhb h LEU 335 Ca -0.49 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.38 1qhb h LEU 335 Cb 1.27 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.93 1qhb h LEU 335 CO 0.55 0.57 0.00 0.00 -1.08 0.00 0.00 178.44 178.48 1qhb n TYR 336 N -4.12 0.47 -0.20 1.13 0.18 -1.26 -4.62 117.16 108.74 1qhb n TYR 336 Ca -0.01 -0.23 -0.03 0.00 1.88 0.00 0.00 57.90 59.51 1qhb n TYR 336 Cb 0.40 0.00 0.04 0.00 -0.38 0.00 0.00 39.34 39.40 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 2.95 -0.08 -0.61 -3.48 4.81 -1.74 -1.09 114.58 115.34 1qhb h GLU 337 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1qhb h GLU 337 Cb 0.66 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 1qhb h GLU 337 CO 0.00 -0.05 0.35 0.00 -0.73 0.00 0.00 179.01 178.58 1qhb h ALA 338 N 1.35 1.47 0.19 2.92 0.00 -1.82 -1.08 119.26 122.29 1qhb h ALA 338 Ca 0.27 -0.08 -0.31 0.00 0.00 0.00 0.00 54.91 54.78 1qhb h ALA 338 Cb 0.50 -0.25 0.03 0.00 0.00 0.00 0.00 17.79 18.07 1qhb h ALA 338 CO -0.65 0.45 -1.36 1.88 0.00 0.00 0.00 179.25 179.58 1qhb h TYR 339 N 0.85 0.94 -0.57 0.00 0.05 -1.67 -1.73 116.97 114.83 1qhb h TYR 339 Ca 0.22 -0.64 0.00 0.00 0.05 0.00 0.00 58.73 58.36 1qhb h TYR 339 Cb -0.00 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 1qhb h TYR 339 CO 0.00 1.49 0.37 1.25 -1.05 0.00 0.00 178.16 180.22 1qhb h LEU 340 N 0.19 0.67 -0.99 3.88 5.85 -1.13 -0.39 115.31 123.39 1qhb h LEU 340 Ca -0.21 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 1qhb h LEU 340 Cb 2.04 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.88 1qhb h LEU 340 CO 0.25 0.50 0.02 0.78 -0.34 0.00 0.00 178.44 179.65 1qhb h ASN 341 N 0.77 0.71 -0.49 1.25 -0.26 -1.16 -0.68 115.58 115.72 1qhb h ASN 341 Ca 0.21 -0.16 -0.12 0.00 -0.56 0.00 0.00 56.30 55.67 1qhb h ASN 341 Cb -0.06 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 36.99 1qhb h ASN 341 CO -0.04 0.77 -0.17 0.00 -1.06 0.00 0.00 177.43 176.93 1qhb h ALA 342 N 1.32 0.68 -0.77 -0.83 0.00 -1.15 -2.06 119.26 116.45 1qhb h ALA 342 Ca 0.14 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1qhb h ALA 342 Cb 0.41 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1qhb h ALA 342 CO 0.01 0.63 0.49 0.00 0.00 0.00 0.00 179.25 180.38 1qhb h LEU 344 N 0.95 0.54 -0.22 0.00 3.38 -0.91 -0.27 115.31 118.78 1qhb h LEU 344 Ca 0.31 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1qhb h LEU 344 Cb 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1qhb h LEU 344 CO -0.12 0.82 0.02 0.40 0.09 0.00 0.00 178.44 179.65 1qhb h ILE 345 N 0.46 1.24 -0.67 1.22 2.04 -0.96 -0.20 117.51 120.64 1qhb h ILE 345 Ca 0.06 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1qhb h ILE 345 Cb 0.76 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 1qhb h ILE 345 CO 0.06 0.25 0.38 -0.07 0.00 0.00 0.00 178.15 178.78 1qhb h LEU 346 N 0.16 0.83 -0.23 1.44 3.38 -0.98 0.20 115.31 120.11 1qhb h LEU 346 Ca 0.06 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1qhb h LEU 346 Cb 0.36 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1qhb h LEU 346 CO 0.01 0.67 -0.03 -0.07 0.09 0.00 0.00 178.44 179.10 1qhb h LEU 347 N 0.92 0.42 -1.01 1.67 3.38 -1.00 -2.33 115.31 117.36 1qhb h LEU 347 Ca 0.24 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1qhb h LEU 347 Cb 0.01 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1qhb h LEU 347 CO -0.04 0.67 0.13 0.00 0.09 0.00 0.00 178.44 179.28 1qhb h ALA 348 N 0.77 1.20 0.00 1.53 0.00 -0.74 -2.13 119.26 119.88 1qhb h ALA 348 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1qhb h ALA 348 Cb 0.47 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1qhb h ALA 348 CO 0.02 0.55 0.00 0.09 0.00 0.00 0.00 179.25 179.91 1qhb n ASN 349 N -4.27 0.00 -0.27 0.00 3.02 0.03 -4.55 115.26 109.22 1qhb n ASN 349 Ca 0.04 -0.18 -0.04 0.00 -0.03 0.00 0.00 54.58 54.37 1qhb n ASN 349 Cb 0.23 -0.25 -0.02 0.00 -0.61 0.00 0.00 39.78 39.13 1qhb n ASN 349 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qhb n GLY 350 N 0.97 0.66 3.73 7.41 0.00 -0.80 -4.99 105.19 112.17 1qhb n GLY 350 Ca 0.14 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.11 2.06 0.69 1.61 1.01 -0.92 -4.93 120.40 117.81 1qhb s VAL 351 Ca 0.00 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.88 1qhb s VAL 351 Cb 0.00 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.37 1qhb s VAL 351 CO 0.00 0.01 1.13 -2.84 0.00 0.00 0.00 175.10 173.40 1qhb s PRO 352 N 0.42 2.55 0.71 2.72 0.02 -1.26 -4.84 135.00 135.32 1qhb s PRO 352 Ca 0.69 1.46 -0.11 0.00 0.02 0.00 0.00 61.00 63.07 1qhb s PRO 352 Cb -0.49 -1.91 0.01 0.00 0.02 0.00 0.00 34.50 32.13 1qhb s PRO 352 CO 0.39 -1.46 1.07 -0.06 -0.33 0.00 0.00 177.00 176.62 1qhb s PHE 353 N -2.31 3.23 -0.11 6.54 0.08 -1.26 -1.17 117.98 122.98 1qhb s PHE 353 Ca 0.68 1.21 -0.38 0.00 0.12 0.00 0.00 56.93 58.56 1qhb s PHE 353 Cb -0.22 -2.96 -0.16 0.00 -0.57 0.00 0.00 43.02 39.11 1qhb s PHE 353 CO 0.44 -1.22 1.59 -3.47 -0.10 0.00 0.00 175.22 172.45 1qhb n ASP 354 N -3.08 2.17 0.01 1.36 -0.08 -0.11 -3.91 116.55 112.91 1qhb n ASP 354 Ca 0.07 1.09 0.06 0.00 -1.51 0.00 0.00 54.79 54.50 1qhb n ASP 354 Cb 0.55 -1.18 0.28 0.00 2.34 0.00 0.00 41.12 43.11 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 4.25 0.02 0.00 -0.67 -0.04 -1.26 -1.95 135.00 135.35 1qhb n PRO 355 Ca 0.23 0.32 0.14 0.00 -0.04 0.00 0.00 63.50 64.15 1qhb n PRO 355 Cb 0.17 -1.54 0.63 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.58 0.14 -4.83 3.54 3.02 -1.26 -4.83 115.26 109.46 1qhb n ASN 356 Ca 0.03 -0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.25 1qhb n ASN 356 Cb 0.14 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 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 -2.75 3.45 0.68 3.41 1.43 -0.82 -3.39 118.68 120.68 1qhb s LEU 357 Ca 0.22 1.66 -0.15 0.00 -1.03 0.00 0.00 54.13 54.83 1qhb s LEU 357 Cb 0.19 -4.51 0.01 0.00 0.03 0.00 0.00 46.19 41.91 1qhb s LEU 357 CO 0.51 -0.98 1.12 -2.16 0.23 0.00 0.00 176.35 175.07 1qhb s PRO 358 N -4.35 2.67 -1.53 1.29 0.05 -1.26 -3.92 135.00 127.94 1qhb s PRO 358 Ca 0.60 1.41 -0.14 0.00 0.05 0.00 0.00 61.00 62.93 1qhb s PRO 358 Cb -0.13 -1.93 0.08 0.00 0.05 0.00 0.00 34.50 32.57 1qhb s PRO 358 CO 0.40 -1.36 0.99 1.19 0.05 0.00 0.00 177.00 178.27 1qhb n PHE 359 N -2.56 -2.31 1.24 0.56 3.72 -1.26 -4.90 117.46 111.95 1qhb n PHE 359 Ca 0.11 0.91 0.13 0.00 -0.05 0.00 0.00 57.45 58.54 1qhb n PHE 359 Cb 0.52 -4.00 0.30 0.00 -0.94 0.00 0.00 39.48 35.36 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 -4.69 1.76 -1.61 -1.08 1.13 -1.25 -4.72 117.38 106.92 1qhb n GLN 360 Ca 0.04 -1.26 -0.30 0.00 -1.94 0.00 0.00 57.00 53.54 1qhb n GLN 360 Cb 0.53 -1.47 0.20 0.00 0.11 0.00 0.00 30.24 29.61 1qhb n GLN 360 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1qhb s GLN 361 N -2.10 -0.04 0.58 -1.09 -0.21 -1.26 -4.98 119.66 110.55 1qhb s GLN 361 Ca 0.31 -0.27 -0.19 0.00 0.02 0.00 0.00 55.36 55.23 1qhb s GLN 361 Cb 0.20 -1.75 -0.04 0.00 1.00 0.00 0.00 33.01 32.42 1qhb s GLN 361 CO 0.37 -2.89 1.21 -1.21 -2.12 0.00 0.00 175.29 170.65 1qhb s GLU 362 N -5.70 3.02 0.50 2.91 2.02 -1.26 -4.81 118.70 115.38 1qhb s GLU 362 Ca 0.73 1.84 0.19 0.00 0.02 0.00 0.00 54.97 57.75 1qhb s GLU 362 Cb -0.06 -1.97 1.26 0.00 0.10 0.00 0.00 34.13 33.46 1qhb s GLU 362 CO 0.54 -1.17 2.03 -0.44 0.02 0.00 0.00 175.26 176.24 1qhb h ASP 363 N 0.97 0.11 0.29 -0.19 3.32 -1.94 0.20 116.42 119.19 1qhb h ASP 363 Ca -0.50 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.52 1qhb h ASP 363 Cb 1.30 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.82 1qhb h ASP 363 CO 0.55 0.07 -0.14 0.07 -1.72 0.00 0.00 179.24 178.07 1qhb h LYS 364 N 0.12 0.00 0.05 3.56 2.10 -1.98 0.50 116.57 120.91 1qhb h LYS 364 Ca 0.19 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.54 1qhb h LYS 364 Cb 0.60 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.90 1qhb h LYS 364 CO -0.02 0.14 -1.70 -0.07 -2.00 0.00 0.00 179.45 175.80 1qhb h LEU 365 N 0.00 0.16 -0.97 7.07 3.38 -1.31 -3.41 115.31 120.24 1qhb h LEU 365 Ca -0.00 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1qhb h LEU 365 Cb 0.33 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1qhb h LEU 365 CO 0.02 1.28 0.00 -0.90 0.09 0.00 0.00 178.44 178.93 1qhb n ASP 366 N -3.24 0.94 -2.35 -0.43 5.68 -1.05 -5.03 116.55 111.07 1qhb n ASP 366 Ca -0.19 -1.03 -0.15 0.00 -0.50 0.00 0.00 54.79 52.92 1qhb n ASP 366 Cb 1.04 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 41.01 1qhb n ASP 366 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1qhb n ASN 367 N -0.01 -4.46 -3.54 -1.12 3.02 0.17 -4.94 115.26 104.39 1qhb n ASN 367 Ca 0.00 0.15 -0.12 0.00 -0.03 0.00 0.00 54.58 54.58 1qhb n ASN 367 Cb 0.03 -3.78 -0.11 0.00 -0.61 0.00 0.00 39.78 35.31 1qhb n ASN 367 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1qhb s GLN 368 N -4.89 0.25 0.67 3.52 2.00 -1.26 -5.09 119.66 114.86 1qhb s GLN 368 Ca 0.00 0.64 -0.03 0.00 -2.00 0.00 0.00 55.36 53.97 1qhb s GLN 368 Cb 0.00 -0.31 0.07 0.00 0.80 0.00 0.00 33.01 33.57 1qhb s GLN 368 CO 0.00 -0.45 0.94 0.34 -0.50 0.00 0.00 175.29 175.62 1qhb s ASP 369 N 2.48 4.81 -0.00 6.67 -1.08 -1.26 -4.84 116.67 123.45 1qhb s ASP 369 Ca 0.05 0.14 0.07 0.00 -0.52 0.00 0.00 52.55 52.29 1qhb s ASP 369 Cb -0.14 -0.80 -0.02 0.00 -1.46 0.00 0.00 42.92 40.51 1qhb s ASP 369 CO -0.12 -1.54 -0.21 0.68 0.52 0.00 0.00 175.17 174.50 1qhb s VAL 370 N -3.09 1.67 0.00 1.11 -7.23 -1.26 -5.01 120.40 106.58 1qhb s VAL 370 Ca 0.61 -0.97 0.00 0.00 -1.81 0.00 0.00 61.98 59.81 1qhb s VAL 370 Cb -0.09 -1.40 0.00 0.00 0.56 0.00 0.00 36.38 35.45 1qhb s VAL 370 CO 0.43 0.41 0.00 0.33 -0.31 0.00 0.00 175.10 175.96 1qhb n PHE 371 N 2.39 -0.39 0.10 2.82 7.35 -1.26 -4.41 117.46 124.06 1qhb n PHE 371 Ca -0.16 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.38 1qhb n PHE 371 Cb 0.53 0.10 -0.09 0.00 0.35 0.00 0.00 39.48 40.37 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 -3.22 -2.13 2.07 -1.94 -2.80 116.25 108.23 1qhb h VAL 372 Ca 0.00 0.00 -0.68 0.00 0.82 0.00 0.00 66.70 66.84 1qhb h VAL 372 Cb 0.00 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.64 1qhb h VAL 372 CO 0.00 0.00 -0.60 0.20 0.02 0.00 0.00 177.57 177.19 1qhb s ASN 373 N -4.51 5.41 -0.57 0.57 0.01 -1.26 -2.93 114.94 111.66 1qhb s ASN 373 Ca -0.15 0.18 0.00 0.00 -0.71 0.00 0.00 52.86 52.18 1qhb s ASN 373 Cb 0.06 -1.56 0.00 0.00 0.41 0.00 0.00 41.25 40.16 1qhb s ASN 373 CO 0.57 0.37 0.00 0.49 -1.51 0.00 0.00 177.10 177.02 1qhb n PHE 374 N 2.02 0.00 -3.47 2.20 3.72 -1.26 -4.79 117.46 115.87 1qhb n PHE 374 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 1qhb n PHE 374 Cb 0.54 -2.07 0.00 0.00 -0.94 0.00 0.00 39.48 37.01 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 -0.05 5.58 0.31 1.37 0.00 -1.16 -4.74 105.19 106.50 1qhb n GLY 375 Ca -0.05 -1.89 -0.05 0.00 0.00 0.00 0.00 46.02 44.02 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 0.92 -0.48 1.61 4.64 -1.76 -2.80 113.55 115.68 1qhb h SER 376 Ca 0.00 -0.18 -0.08 0.00 -0.47 0.00 0.00 61.79 61.06 1qhb h SER 376 Cb 0.00 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.83 1qhb h SER 376 CO 0.00 0.89 -0.01 0.00 -0.87 0.00 0.00 176.83 176.84 1qhb h ALA 377 N 1.23 0.99 0.22 5.18 0.00 -1.78 -1.47 119.26 123.63 1qhb h ALA 377 Ca 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1qhb h ALA 377 Cb 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1qhb h ALA 377 CO -0.00 0.62 -0.10 1.25 0.00 0.00 0.00 179.25 181.01 1qhb h HIS 378 N 0.83 -0.27 -0.14 0.00 6.17 -1.33 -2.13 115.15 118.28 1qhb h HIS 378 Ca 0.15 -0.01 -0.10 0.00 0.71 0.00 0.00 60.37 61.13 1qhb h HIS 378 Cb 0.51 0.09 -0.01 0.00 2.52 0.00 0.00 27.41 30.51 1qhb h HIS 378 CO 0.03 -0.09 -0.35 -0.24 0.71 0.00 0.00 177.93 177.99 1qhb h VAL 379 N -0.39 1.29 -0.22 5.26 3.04 -1.41 -1.53 116.25 122.29 1qhb h VAL 379 Ca -0.03 -1.39 -0.09 0.00 -1.01 0.00 0.00 66.70 64.18 1qhb h VAL 379 Cb 0.30 1.57 -0.01 0.00 -2.01 0.00 0.00 31.29 31.13 1qhb h VAL 379 CO 0.05 0.42 -0.25 -0.07 -1.01 0.00 0.00 177.57 176.71 1qhb h LEU 380 N 0.25 0.40 0.13 3.16 3.38 -1.17 -0.33 115.31 121.13 1qhb h LEU 380 Ca 0.03 -0.13 -0.29 0.00 0.09 0.00 0.00 57.88 57.58 1qhb h LEU 380 Cb 0.74 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1qhb h LEU 380 CO 0.06 0.66 -1.40 0.28 0.09 0.00 0.00 178.44 178.12 1qhb h SER 381 N 0.36 0.42 -0.39 -0.43 0.02 -1.14 -3.35 113.55 109.04 1qhb h SER 381 Ca 0.06 -0.51 -0.12 0.00 -0.84 0.00 0.00 61.79 60.38 1qhb h SER 381 Cb 0.63 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1qhb h SER 381 CO 0.05 1.41 -0.19 0.25 -1.14 0.00 0.00 176.83 177.20 1qhb h LEU 382 N 0.07 0.89 -1.61 5.07 5.85 -1.13 -1.66 115.31 122.80 1qhb h LEU 382 Ca -0.19 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.17 1qhb h LEU 382 Cb 2.00 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 1qhb h LEU 382 CO 0.18 1.06 -0.20 1.62 -0.34 0.00 0.00 178.44 180.77 1qhb h VAL 383 N 0.77 1.11 0.00 1.05 3.04 -1.19 -3.15 116.25 117.88 1qhb h VAL 383 Ca 0.11 -0.69 -0.26 0.00 -1.01 0.00 0.00 66.70 64.85 1qhb h VAL 383 Cb 0.73 1.38 -0.05 0.00 -2.01 0.00 0.00 31.29 31.34 1qhb h VAL 383 CO 0.06 0.20 -1.72 0.35 -1.01 0.00 0.00 177.57 175.45 1qhb n THR 384 N -4.26 1.41 0.11 3.17 -2.24 -1.05 -4.31 114.28 107.11 1qhb n THR 384 Ca -0.02 -0.77 -0.03 0.00 -2.27 0.00 0.00 64.05 60.96 1qhb n THR 384 Cb 0.26 -0.84 0.18 0.00 -2.10 0.00 0.00 70.33 67.83 1qhb n THR 384 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1qhb h GLU 385 N 0.00 0.16 0.00 -0.78 4.11 -1.27 -2.97 114.58 113.83 1qhb h GLU 385 Ca -0.28 -0.10 -0.02 0.00 0.07 0.00 0.00 59.36 59.04 1qhb h GLU 385 Cb 1.89 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.15 1qhb h GLU 385 CO 0.06 0.66 -0.07 -0.39 0.07 0.00 0.00 179.01 179.34 1qhb h VAL 386 N 0.13 0.35 -0.36 -1.06 -1.51 -1.73 -3.31 116.25 108.74 1qhb h VAL 386 Ca 0.00 -0.42 0.02 0.00 -1.23 0.00 0.00 66.70 65.07 1qhb h VAL 386 Cb 0.99 1.31 -0.03 0.00 -2.13 0.00 0.00 31.29 31.43 1qhb h VAL 386 CO 0.08 0.07 0.19 0.00 -1.23 0.00 0.00 177.57 176.68 1qhb h ALA 387 N 1.93 0.45 0.00 5.19 0.00 -1.75 -1.83 119.26 123.24 1qhb h ALA 387 Ca -0.00 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1qhb h ALA 387 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1qhb h ALA 387 CO 0.01 -0.17 -0.35 1.79 0.00 0.00 0.00 179.25 180.53 1qhb h THR 388 N 0.39 0.90 -0.17 0.00 1.35 -1.79 -1.74 112.91 111.86 1qhb h THR 388 Ca 0.15 -1.40 -0.18 0.00 -0.55 0.00 0.00 66.41 64.43 1qhb h THR 388 Cb 0.04 1.84 -0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1qhb h THR 388 CO -0.09 0.34 -0.64 0.03 -0.25 0.00 0.00 175.52 174.91 1qhb h ARG 389 N 0.00 0.62 -0.49 4.72 -0.00 -1.58 -2.08 114.38 115.56 1qhb h ARG 389 Ca -0.00 -0.44 -0.09 0.00 -0.50 0.00 0.00 59.98 58.95 1qhb h ARG 389 Cb 0.81 0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.84 1qhb h ARG 389 CO 0.05 1.06 -0.04 0.00 0.00 0.00 0.00 179.97 181.03 1qhb h ALA 390 N 0.84 0.67 -0.67 0.04 0.00 -1.18 -3.00 119.26 115.96 1qhb h ALA 390 Ca -0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1qhb h ALA 390 Cb 1.22 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1qhb h ALA 390 CO 0.12 0.52 0.30 -0.07 0.00 0.00 0.00 179.25 180.12 1qhb h LEU 391 N 0.76 0.90 -0.69 0.00 3.38 -1.20 -1.99 115.31 116.46 1qhb h LEU 391 Ca 0.13 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1qhb h LEU 391 Cb 0.57 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1qhb h LEU 391 CO 0.03 0.80 0.46 0.11 0.09 0.00 0.00 178.44 179.93 1qhb h LYS 392 N 0.94 0.90 -0.62 1.13 1.57 -1.35 -0.80 116.57 118.34 1qhb h LYS 392 Ca 0.23 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 1qhb h LYS 392 Cb 0.16 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1qhb h LYS 392 CO -0.02 0.60 0.18 0.00 -0.57 0.00 0.00 179.45 179.63 1qhb h ALA 393 N 1.25 1.14 0.00 3.86 0.00 -1.23 -2.48 119.26 121.80 1qhb h ALA 393 Ca 0.25 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1qhb h ALA 393 Cb -0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1qhb h ALA 393 CO -0.06 0.59 -0.60 -0.24 0.00 0.00 0.00 179.25 178.94 1qhb h VAL 394 N 0.92 1.14 -0.53 0.00 3.04 -0.90 -2.58 116.25 117.33 1qhb h VAL 394 Ca 0.20 -2.30 -0.11 0.00 -1.01 0.00 0.00 66.70 63.49 1qhb h VAL 394 Cb 0.29 2.35 -0.02 0.00 -2.01 0.00 0.00 31.29 31.90 1qhb h VAL 394 CO -0.01 0.59 -0.10 0.03 -1.01 0.00 0.00 177.57 177.07 1qhb h ARG 395 N 0.00 1.01 -0.16 4.17 2.47 -1.04 0.34 114.38 121.17 1qhb h ARG 395 Ca -0.01 -0.37 0.01 0.00 -1.26 0.00 0.00 59.98 58.35 1qhb h ARG 395 Cb 1.30 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.54 1qhb h ARG 395 CO 0.08 1.06 0.06 -0.92 0.56 0.00 0.00 179.97 180.81 1qhb h TYR 396 N 0.89 0.11 -0.22 3.04 3.20 -1.16 -0.47 116.97 122.36 1qhb h TYR 396 Ca 0.14 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1qhb h TYR 396 Cb 0.67 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 1qhb h TYR 396 CO 0.05 0.06 0.12 1.96 -1.64 0.00 0.00 178.16 178.71 1qhb h GLN 397 N 0.14 0.30 0.18 1.82 1.08 -1.09 -0.44 115.11 117.11 1qhb h GLN 397 Ca 0.07 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1qhb h GLN 397 Cb 0.03 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1qhb h GLN 397 CO -0.06 0.27 -0.16 0.87 -0.95 0.00 0.00 178.83 178.80 1qhb h LYS 398 N 0.25 -0.34 0.03 1.46 1.57 -0.01 -1.39 116.57 118.14 1qhb h LYS 398 Ca 0.08 0.02 -0.39 0.00 -1.87 0.00 0.00 60.65 58.49 1qhb h LYS 398 Cb 0.05 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.38 1qhb h LYS 398 CO -0.01 -0.23 -2.34 1.19 -0.57 0.00 0.00 179.45 177.49 1qhb n PHE 399 N -5.28 0.31 0.08 -1.35 3.72 -0.21 -1.53 117.46 113.19 1qhb n PHE 399 Ca -0.08 0.07 -0.01 0.00 -0.05 0.00 0.00 57.45 57.38 1qhb n PHE 399 Cb 0.20 -1.04 -0.05 0.00 -0.94 0.00 0.00 39.48 37.65 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 -0.15 0.00 0.00 4.37 4.21 -1.22 -3.42 115.58 119.37 1qhb h ASN 400 Ca -0.55 0.00 0.00 0.00 1.21 0.00 0.00 56.30 56.96 1qhb h ASN 400 Cb 1.87 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.07 1qhb h ASN 400 CO -0.10 0.67 -0.04 -0.38 -1.29 0.00 0.00 177.43 176.29 1qhb n ILE 401 N -3.14 0.10 0.01 2.81 2.08 -0.96 -4.97 119.36 115.29 1qhb n ILE 401 Ca -0.03 0.29 -0.22 0.00 0.56 0.00 0.00 62.75 63.35 1qhb n ILE 401 Cb 0.84 -1.35 -0.14 0.00 -0.75 0.00 0.00 39.64 38.24 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 -0.04 0.46 -6.44 1.39 3.86 -1.43 -3.46 115.15 109.49 1qhb h HIS 402 Ca 0.00 -0.33 -0.49 0.00 -1.16 0.00 0.00 60.37 58.38 1qhb h HIS 402 Cb 0.04 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.43 1qhb h HIS 402 CO -0.02 1.57 -0.84 0.54 0.86 0.00 0.00 177.93 180.03 1qhb n ARG 403 N -3.89 -3.95 -2.34 2.45 1.74 -0.58 -4.91 116.66 105.18 1qhb n ARG 403 Ca -0.25 0.47 -0.42 0.00 -0.77 0.00 0.00 57.85 56.88 1qhb n ARG 403 Cb 0.91 -4.92 -0.03 0.00 -1.02 0.00 0.00 32.46 27.40 1qhb n ARG 403 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1qhb s ARG 404 N -6.54 4.41 0.53 5.56 3.52 -1.26 -0.90 118.95 124.28 1qhb s ARG 404 Ca 0.26 1.88 -0.22 0.00 -0.13 0.00 0.00 55.73 57.53 1qhb s ARG 404 Cb -0.14 -3.29 -0.05 0.00 -1.56 0.00 0.00 34.95 29.91 1qhb s ARG 404 CO 0.87 -0.27 1.33 -0.48 -0.81 0.00 0.00 175.30 175.95 1qhb s LEU 405 N 0.76 3.88 0.68 -0.88 2.34 -1.20 -1.78 118.68 122.48 1qhb s LEU 405 Ca 0.59 2.71 -0.12 0.00 0.06 0.00 0.00 54.13 57.36 1qhb s LEU 405 Cb -0.32 -4.26 0.01 0.00 -0.56 0.00 0.00 46.19 41.06 1qhb s LEU 405 CO 0.31 -1.47 1.07 -0.13 -1.06 0.00 0.00 176.35 175.08 1qhb s ARG 406 N -2.86 2.85 0.40 1.48 1.81 -1.26 -4.66 118.95 116.71 1qhb s ARG 406 Ca 0.70 1.12 0.16 0.00 -1.72 0.00 0.00 55.73 56.00 1qhb s ARG 406 Cb -0.39 -1.97 1.04 0.00 -0.45 0.00 0.00 34.95 33.17 1qhb s ARG 406 CO 0.46 -1.18 1.84 -1.35 -0.68 0.00 0.00 175.30 174.40 1qhb h PRO 407 N -0.43 0.44 -0.75 3.54 0.11 -1.81 -0.94 132.00 132.17 1qhb h PRO 407 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1qhb h PRO 407 Cb 1.22 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 1qhb h PRO 407 CO 0.55 0.29 0.46 1.05 -0.21 0.00 0.00 178.00 180.14 1qhb h GLU 408 N 0.46 1.00 -0.30 1.05 4.11 -1.92 -0.80 114.58 118.17 1qhb h GLU 408 Ca 0.49 -0.08 -0.13 0.00 0.07 0.00 0.00 59.36 59.71 1qhb h GLU 408 Cb 1.14 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1qhb h GLU 408 CO -0.20 0.69 -0.33 0.00 0.07 0.00 0.00 179.01 179.24 1qhb h ALA 409 N 1.48 0.84 -0.54 1.06 0.00 -1.53 -2.25 119.26 118.32 1qhb h ALA 409 Ca 0.27 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1qhb h ALA 409 Cb -0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1qhb h ALA 409 CO -0.05 0.64 0.02 1.15 0.00 0.00 0.00 179.25 181.00 1qhb h THR 410 N 0.56 1.25 -0.58 0.00 2.02 -1.27 -2.11 112.91 112.79 1qhb h THR 410 Ca 0.06 -1.04 -0.07 0.00 0.77 0.00 0.00 66.41 66.13 1qhb h THR 410 Cb 0.84 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1qhb h THR 410 CO 0.07 0.37 0.09 1.23 0.37 0.00 0.00 175.52 177.65 1qhb h GLY 411 N 1.00 1.01 1.03 2.16 0.00 -0.84 -1.84 103.07 105.58 1qhb h GLY 411 Ca 0.16 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 1qhb h GLY 411 CO 0.02 0.60 0.38 -1.33 0.00 0.00 0.00 176.54 176.21 1qhb h GLY 412 N 1.01 1.22 0.93 4.60 0.00 -1.24 0.56 103.07 110.15 1qhb h GLY 412 Ca 0.18 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1qhb h GLY 412 CO 0.01 0.57 0.11 1.41 0.00 0.00 0.00 176.54 178.64 1qhb h LEU 413 N 1.12 0.27 -0.30 3.11 3.38 -0.78 -2.29 115.31 119.83 1qhb h LEU 413 Ca 0.27 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1qhb h LEU 413 Cb 0.11 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1qhb h LEU 413 CO -0.03 0.31 0.18 0.40 0.09 0.00 0.00 178.44 179.38 1qhb h ILE 414 N 0.22 1.04 -0.37 1.22 2.04 -0.97 -1.71 117.51 118.98 1qhb h ILE 414 Ca 0.07 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 1qhb h ILE 414 Cb 0.10 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1qhb h ILE 414 CO -0.01 0.07 0.10 -1.28 0.00 0.00 0.00 178.15 177.03 1qhb h SER 415 N 0.37 0.54 -0.47 1.72 0.87 -0.80 -1.47 113.55 114.31 1qhb h SER 415 Ca 0.12 -0.22 -0.04 0.00 -1.23 0.00 0.00 61.79 60.42 1qhb h SER 415 Cb -0.01 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 1qhb h SER 415 CO -0.05 0.62 0.12 0.58 -0.53 0.00 0.00 176.83 177.57 1qhb h VAL 416 N 0.44 1.23 -0.03 2.23 2.07 -1.39 -2.06 116.25 118.75 1qhb h VAL 416 Ca 0.12 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1qhb h VAL 416 Cb 0.27 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1qhb h VAL 416 CO -0.00 0.29 0.02 -1.13 0.02 0.00 0.00 177.57 176.77 1qhb h ASN 417 N 0.63 0.05 -0.59 0.57 -0.73 -1.20 -1.16 115.58 113.15 1qhb h ASN 417 Ca 0.15 -0.13 -0.07 0.00 1.87 0.00 0.00 56.30 58.12 1qhb h ASN 417 Cb 0.31 -0.01 -0.03 0.00 0.27 0.00 0.00 38.32 38.87 1qhb h ASN 417 CO 0.00 0.16 0.11 0.50 -0.37 0.00 0.00 177.43 177.83 1qhb h LYS 418 N -0.07 1.01 -0.34 6.67 3.64 -1.25 -1.25 116.57 124.98 1qhb h LYS 418 Ca 0.01 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.10 1qhb h LYS 418 Cb 0.13 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1qhb h LYS 418 CO -0.00 0.92 0.04 -0.91 -2.27 0.00 0.00 179.45 177.23 1qhb h ASN 419 N 0.95 0.55 -0.58 4.20 2.35 -1.30 -2.44 115.58 119.32 1qhb h ASN 419 Ca 0.19 -0.28 0.05 0.00 -0.55 0.00 0.00 56.30 55.71 1qhb h ASN 419 Cb 0.40 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.57 1qhb h ASN 419 CO 0.01 0.69 0.31 0.00 -1.65 0.00 0.00 177.43 176.79 1qhb h ALA 420 N 0.88 0.75 -0.44 -0.83 0.00 -0.95 -2.29 119.26 116.38 1qhb h ALA 420 Ca 0.10 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1qhb h ALA 420 Cb 0.39 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1qhb h ALA 420 CO 0.01 -0.01 0.11 0.35 0.00 0.00 0.00 179.25 179.71 1qhb h PHE 421 N 0.60 0.19 -0.27 0.00 3.04 -1.01 0.14 116.94 119.63 1qhb h PHE 421 Ca 0.25 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.25 1qhb h PHE 421 Cb 0.14 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.61 1qhb h PHE 421 CO -0.09 0.04 0.18 -0.07 -2.02 0.00 0.00 178.31 176.35 1qhb h LEU 422 N 0.26 0.23 -3.75 0.59 3.38 -0.95 -1.63 115.31 113.45 1qhb h LEU 422 Ca 0.21 -0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.76 1qhb h LEU 422 Cb 0.25 -0.05 -0.25 0.00 0.09 0.00 0.00 40.66 40.69 1qhb h LEU 422 CO -0.26 0.16 0.54 0.29 0.09 0.00 0.00 178.44 179.26 1qhb n LYS 423 N -4.49 2.32 -3.82 1.13 4.01 -0.78 -4.92 118.16 111.61 1qhb n LYS 423 Ca 0.02 -2.70 -0.29 0.00 -0.51 0.00 0.00 58.31 54.83 1qhb n LYS 423 Cb 0.15 -2.07 0.01 0.00 -0.51 0.00 0.00 35.03 32.61 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 -0.84 -2.69 -3.89 4.39 2.88 -0.61 -4.97 113.62 107.88 1qhb n SER 424 Ca 0.51 -1.01 -0.10 0.00 -1.33 0.00 0.00 58.87 56.94 1qhb n SER 424 Cb 1.52 -3.21 -0.10 0.00 -0.75 0.00 0.00 64.21 61.67 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 -6.30 0.54 -0.27 -1.46 2.12 0.42 -4.99 118.70 108.75 1qhb s GLU 425 Ca 0.23 -0.56 -0.02 0.00 0.36 0.00 0.00 54.97 54.98 1qhb s GLU 425 Cb -0.08 0.22 0.03 0.00 0.26 0.00 0.00 34.13 34.56 1qhb s GLU 425 CO 0.87 -0.13 -0.03 -1.12 -0.54 0.00 0.00 175.26 174.31 1qhb s SER 426 N -1.72 4.59 -0.07 -1.70 0.01 -1.26 -2.84 113.70 110.70 1qhb s SER 426 Ca -0.10 -1.01 0.01 0.00 1.31 0.00 0.00 55.95 56.15 1qhb s SER 426 Cb -0.05 -1.70 0.02 0.00 0.21 0.00 0.00 66.02 64.51 1qhb s SER 426 CO -0.01 -0.18 -0.07 -0.69 0.41 0.00 0.00 173.24 172.70 1qhb s VAL 427 N 1.31 0.80 -0.96 3.43 1.01 -1.26 -4.88 120.40 119.85 1qhb s VAL 427 Ca -0.02 -0.23 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 1qhb s VAL 427 Cb -0.18 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1qhb s VAL 427 CO -0.03 0.30 0.81 0.49 0.00 0.00 0.00 175.10 176.67 1qhb n PHE 428 N 4.29 -2.50 0.32 5.22 3.72 -1.26 -4.30 117.46 122.96 1qhb n PHE 428 Ca -0.20 0.87 0.21 0.00 -0.05 0.00 0.00 57.45 58.29 1qhb n PHE 428 Cb 0.51 -3.92 1.10 0.00 -0.94 0.00 0.00 39.48 36.22 1qhb n PHE 428 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1qhb h PRO 429 N -0.72 0.00 0.00 -1.08 0.13 -1.99 -1.53 132.00 126.81 1qhb h PRO 429 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1qhb h PRO 429 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1qhb h PRO 429 CO 0.40 0.00 -0.04 0.93 -0.23 0.00 0.00 178.00 179.07 1qhb h GLU 430 N 0.00 0.00 -0.48 0.86 3.07 -2.01 -0.29 114.58 115.72 1qhb h GLU 430 Ca -0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.74 1qhb h GLU 430 Cb 0.12 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.96 1qhb h GLU 430 CO 0.00 0.04 0.09 1.33 -1.40 0.00 0.00 179.01 179.07 1qhb n VAL 431 N -3.37 2.62 -0.13 3.13 0.24 -0.58 -4.64 118.33 115.61 1qhb n VAL 431 Ca -0.02 -1.93 -0.05 0.00 -2.04 0.00 0.00 64.34 60.30 1qhb n VAL 431 Cb 0.16 -0.31 0.03 0.00 -1.47 0.00 0.00 33.84 32.25 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 2.10 0.18 -0.42 -1.34 3.32 -1.19 0.40 116.42 119.47 1qhb h ASP 432 Ca 0.15 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 1qhb h ASP 432 Cb 1.86 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 41.42 1qhb h ASP 432 CO 0.47 0.14 -0.12 0.58 -1.72 0.00 0.00 179.24 178.59 1qhb h VAL 433 N 0.33 1.28 -0.10 -1.35 2.07 -1.82 0.19 116.25 116.83 1qhb h VAL 433 Ca 0.19 -1.23 0.01 0.00 0.82 0.00 0.00 66.70 66.49 1qhb h VAL 433 Cb 0.16 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1qhb h VAL 433 CO -0.18 0.42 0.01 0.25 0.02 0.00 0.00 177.57 178.09 1qhb h LEU 434 N 0.64 -0.01 -0.31 2.57 5.85 -1.69 -0.92 115.31 121.44 1qhb h LEU 434 Ca 0.10 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1qhb h LEU 434 Cb 0.66 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1qhb h LEU 434 CO 0.05 0.01 0.15 0.58 -0.34 0.00 0.00 178.44 178.88 1qhb h VAL 435 N 0.06 1.16 -0.49 1.05 2.07 -0.78 -2.67 116.25 116.64 1qhb h VAL 435 Ca 0.05 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.14 1qhb h VAL 435 Cb 0.04 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1qhb h VAL 435 CO -0.07 0.17 0.25 -0.08 0.02 0.00 0.00 177.57 177.87 1qhb h GLU 436 N 0.37 0.49 0.00 1.57 4.81 -0.71 -2.76 114.58 118.34 1qhb h GLU 436 Ca 0.11 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1qhb h GLU 436 Cb 0.13 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1qhb h GLU 436 CO -0.01 0.32 -0.13 0.93 -0.73 0.00 0.00 179.01 179.39 1qhb h GLU 437 N 0.50 0.00 -0.66 1.92 4.39 -1.06 -3.12 114.58 116.55 1qhb h GLU 437 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1qhb h GLU 437 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1qhb h GLU 437 CO -0.14 0.13 0.00 1.28 -1.16 0.00 0.00 179.01 179.12 1qhb n LEU 438 N -3.28 3.61 -0.30 1.33 4.77 -1.02 -4.77 117.00 117.35 1qhb n LEU 438 Ca 0.00 -1.79 -0.01 0.00 -0.03 0.00 0.00 56.01 54.19 1qhb n LEU 438 Cb 0.38 -0.44 0.05 0.00 -2.33 0.00 0.00 43.42 41.08 1qhb n LEU 438 CO 0.31 0.89 0.64 0.77 -1.33 0.00 0.00 177.39 178.67 1qhb h SER 439 N 4.00 -1.13 -0.54 -1.43 4.64 -1.45 0.19 113.55 117.82 1qhb h SER 439 Ca 0.00 0.26 -0.09 0.00 -0.47 0.00 0.00 61.79 61.49 1qhb h SER 439 Cb 0.91 0.62 -0.02 0.00 -0.31 0.00 0.00 62.40 63.60 1qhb h SER 439 CO 0.00 -0.29 -0.00 0.77 -0.87 0.00 0.00 176.83 176.44 1qhb h SER 440 N -0.06 0.97 -0.49 4.97 4.64 -1.89 -2.52 113.55 119.17 1qhb h SER 440 Ca 0.33 -0.26 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1qhb h SER 440 Cb 0.59 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 1qhb h SER 440 CO -0.85 1.02 0.29 0.40 -0.87 0.00 0.00 176.83 176.82 1qhb h ILE 441 N 0.91 1.15 -0.23 0.95 2.04 -1.59 -2.75 117.51 117.99 1qhb h ILE 441 Ca 0.17 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1qhb h ILE 441 Cb 0.53 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1qhb h ILE 441 CO 0.03 0.16 0.06 -0.07 0.00 0.00 0.00 178.15 178.33 1qhb h LEU 442 N 0.65 0.29 -0.38 1.44 3.38 -0.75 -2.04 115.31 117.91 1qhb h LEU 442 Ca 0.18 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1qhb h LEU 442 Cb 0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1qhb h LEU 442 CO -0.03 0.30 0.17 0.44 0.09 0.00 0.00 178.44 179.40 1qhb h ASP 443 N 0.32 0.50 -0.80 -0.43 3.32 -1.16 -0.11 116.42 118.06 1qhb h ASP 443 Ca 0.08 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 1qhb h ASP 443 Cb 0.12 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1qhb h ASP 443 CO -0.00 0.51 0.36 0.44 -1.72 0.00 0.00 179.24 178.83 1qhb h ASP 444 N 0.46 1.08 -0.53 6.45 3.32 -1.29 -2.64 116.42 123.27 1qhb h ASP 444 Ca 0.13 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1qhb h ASP 444 Cb 0.15 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1qhb h ASP 444 CO -0.01 0.93 0.04 -1.28 -1.72 0.00 0.00 179.24 177.19 1qhb h SER 445 N 1.15 0.88 -0.86 6.45 0.87 -1.19 -1.10 113.55 119.74 1qhb h SER 445 Ca 0.27 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1qhb h SER 445 Cb 0.16 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 1qhb h SER 445 CO -0.03 0.95 0.54 0.00 -0.53 0.00 0.00 176.83 177.76 1qhb h ALA 446 N 0.96 1.32 -0.42 6.23 0.00 -0.82 0.40 119.26 126.94 1qhb h ALA 446 Ca 0.15 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1qhb h ALA 446 Cb 0.47 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1qhb h ALA 446 CO 0.02 0.60 -0.00 1.03 0.00 0.00 0.00 179.25 180.90 1qhb h SER 447 N 1.19 0.74 -0.52 0.00 0.87 -1.16 -0.44 113.55 114.23 1qhb h SER 447 Ca 0.31 -0.31 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 1qhb h SER 447 Cb -0.08 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 1qhb h SER 447 CO -0.06 0.86 -0.09 -1.28 -0.53 0.00 0.00 176.83 175.74 1qhb h SER 448 N 0.59 0.97 0.18 6.23 0.87 -0.61 -2.55 113.55 119.24 1qhb h SER 448 Ca 0.12 -0.34 -0.09 0.00 -1.23 0.00 0.00 61.79 60.24 1qhb h SER 448 Cb 0.49 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1qhb h SER 448 CO 0.02 1.09 -0.34 0.78 -0.53 0.00 0.00 176.83 177.85 1qhb h ASN 449 N 0.84 0.24 -0.53 6.23 2.35 -0.01 -1.79 115.58 122.91 1qhb h ASN 449 Ca 0.14 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1qhb h ASN 449 Cb 0.64 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1qhb h ASN 449 CO 0.04 0.58 0.25 -0.08 -1.65 0.00 0.00 177.43 176.58 1qhb h GLU 450 N 0.21 0.76 -0.62 0.81 4.81 -0.81 0.72 114.58 120.46 1qhb h GLU 450 Ca 0.03 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1qhb h GLU 450 Cb 0.71 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 1qhb h GLU 450 CO 0.05 0.63 0.24 0.87 -0.73 0.00 0.00 179.01 180.07 1qhb h LYS 451 N 0.71 0.94 -0.04 1.92 1.57 -1.01 -0.83 116.57 119.82 1qhb h LYS 451 Ca 0.18 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1qhb h LYS 451 Cb 0.12 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1qhb h LYS 451 CO -0.02 0.80 0.00 0.37 -0.57 0.00 0.00 179.45 180.03 1qhb h GLN 452 N 0.87 0.02 -0.21 3.15 5.75 -1.02 -0.54 115.11 123.13 1qhb h GLN 452 Ca 0.21 -0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.65 1qhb h GLN 452 Cb 0.22 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 1qhb h GLN 452 CO -0.02 0.01 -0.12 -0.91 -2.65 0.00 0.00 178.83 175.15 1qhb h ASN 453 N 0.02 0.32 -0.05 -0.69 2.35 -0.66 -0.11 115.58 116.76 1qhb h ASN 453 Ca 0.02 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1qhb h ASN 453 Cb 0.01 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 1qhb h ASN 453 CO -0.02 0.48 -0.03 0.40 -1.65 0.00 0.00 177.43 176.60 1qhb h ILE 454 N 0.32 1.33 -0.97 2.81 2.04 -0.85 -0.65 117.51 121.55 1qhb h ILE 454 Ca 0.06 -1.06 0.05 0.00 1.00 0.00 0.00 64.86 64.92 1qhb h ILE 454 Cb 0.41 1.93 -0.06 0.00 -0.74 0.00 0.00 36.82 38.35 1qhb h ILE 454 CO 0.02 0.29 0.63 0.00 0.00 0.00 0.00 178.15 179.09 1qhb h ALA 455 N 0.60 1.32 0.00 1.87 0.00 -0.63 -2.39 119.26 120.03 1qhb h ALA 455 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1qhb h ALA 455 Cb 0.48 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1qhb h ALA 455 CO 0.01 0.46 -0.13 -0.44 0.00 0.00 0.00 179.25 179.15 1qhb h ASP 456 N 1.17 0.00 -0.50 0.00 3.32 -0.83 -3.47 116.42 116.10 1qhb h ASP 456 Ca 0.40 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.33 1qhb h ASP 456 Cb 0.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1qhb h ASP 456 CO -0.15 0.01 -0.11 0.61 -1.72 0.00 0.00 179.24 177.89 1qhb n GLY 457 N 1.26 0.36 3.71 2.75 0.00 -0.30 -5.02 105.19 107.95 1qhb n GLY 457 Ca 0.05 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.85 6.33 -0.05 1.61 1.01 -0.89 -5.05 116.67 116.78 1qhb s ASP 458 Ca 0.00 0.37 0.04 0.00 0.71 0.00 0.00 52.55 53.68 1qhb s ASP 458 Cb 0.00 -2.15 -0.00 0.00 1.01 0.00 0.00 42.92 41.77 1qhb s ASP 458 CO 0.00 0.09 -0.19 -0.69 0.21 0.00 0.00 175.17 174.59 1qhb s VAL 459 N 0.67 1.57 -0.01 -1.27 1.01 -1.26 -4.63 120.40 116.47 1qhb s VAL 459 Ca 0.13 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 1qhb s VAL 459 Cb -0.13 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.92 1qhb s VAL 459 CO 0.03 0.45 0.23 -0.44 0.00 0.00 0.00 175.10 175.37 1qhb s SER 460 N 0.09 -0.09 0.48 3.32 0.01 -1.26 -4.88 113.70 111.38 1qhb s SER 460 Ca -0.06 -0.05 -0.23 0.00 1.31 0.00 0.00 55.95 56.91 1qhb s SER 460 Cb -0.13 0.26 -0.07 0.00 0.21 0.00 0.00 66.02 66.29 1qhb s SER 460 CO 0.03 -0.41 1.28 -2.84 0.41 0.00 0.00 173.24 171.71 1qhb s PRO 461 N -1.37 3.57 0.00 12.44 0.02 -1.26 -4.84 135.00 143.56 1qhb s PRO 461 Ca -0.14 2.07 0.00 0.00 0.02 0.00 0.00 61.00 62.95 1qhb s PRO 461 Cb -0.06 -2.44 0.00 0.00 0.02 0.00 0.00 34.50 32.01 1qhb s PRO 461 CO 0.03 -0.80 0.00 0.41 -0.33 0.00 0.00 177.00 176.31 1qhb n GLY 462 N 0.61 -1.45 3.83 0.52 0.00 -1.26 -4.94 105.19 102.51 1qhb n GLY 462 Ca 0.07 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.31 2.33 -0.19 1.61 1.02 -1.26 -5.07 119.74 116.87 1qhb s LYS 463 Ca 0.00 0.55 0.01 0.00 0.02 0.00 0.00 55.97 56.56 1qhb s LYS 463 Cb 0.00 -1.95 0.03 0.00 -0.52 0.00 0.00 37.83 35.38 1qhb s LYS 463 CO 0.00 -1.43 -0.18 0.45 -0.92 0.00 0.00 175.35 173.28 1qhb s SER 464 N -4.09 3.35 -0.17 2.83 0.15 -1.26 -4.96 113.70 109.55 1qhb s SER 464 Ca 0.60 -0.78 0.16 0.00 0.70 0.00 0.00 55.95 56.62 1qhb s SER 464 Cb -0.13 -1.47 0.61 0.00 -1.71 0.00 0.00 66.02 63.32 1qhb s SER 464 CO 0.53 -0.04 1.52 0.49 1.20 0.00 0.00 173.24 176.94 1qhb n PHE 465 N 4.60 1.27 -2.02 3.44 3.72 -1.26 -3.89 117.46 123.32 1qhb n PHE 465 Ca -0.19 -0.77 -0.38 0.00 -0.05 0.00 0.00 57.45 56.05 1qhb n PHE 465 Cb 0.48 -0.33 0.01 0.00 -0.94 0.00 0.00 39.48 38.70 1qhb n PHE 465 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1qhb s LEU 466 N -2.54 3.97 -0.21 4.37 1.43 -1.26 -4.50 118.68 119.94 1qhb s LEU 466 Ca 0.45 2.56 -0.29 0.00 -1.03 0.00 0.00 54.13 55.81 1qhb s LEU 466 Cb 0.34 -4.21 -0.02 0.00 0.03 0.00 0.00 46.19 42.33 1qhb s LEU 466 CO 0.13 -1.20 1.52 -0.22 0.23 0.00 0.00 176.35 176.81 1qhb s LEU 467 N -3.17 3.96 0.20 1.79 2.96 -1.26 -4.97 118.68 118.19 1qhb s LEU 467 Ca 0.66 1.61 -0.32 0.00 -0.22 0.00 0.00 54.13 55.86 1qhb s LEU 467 Cb -0.35 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 42.69 1qhb s LEU 467 CO 0.42 -1.14 1.65 -2.84 -1.32 0.00 0.00 176.35 173.13 1qhb s PRO 468 N 4.40 4.16 -0.12 0.98 0.02 -1.26 -4.83 135.00 138.34 1qhb s PRO 468 Ca 0.67 2.51 -0.08 0.00 0.02 0.00 0.00 61.00 64.12 1qhb s PRO 468 Cb -0.24 -3.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.14 1qhb s PRO 468 CO 0.27 -0.69 0.17 -1.64 -0.33 0.00 0.00 177.00 174.78 1qhb s MET 469 N 1.02 3.59 0.45 5.54 -1.94 -0.52 -4.78 119.30 122.66 1qhb s MET 469 Ca 0.72 -0.09 0.27 0.00 -1.71 0.00 0.00 55.69 54.88 1qhb s MET 469 Cb -0.47 -3.23 0.78 0.00 2.01 0.00 0.00 34.83 33.92 1qhb s MET 469 CO 0.33 0.70 1.76 0.00 -0.01 0.00 0.00 175.02 177.80 1qhb h ALA 470 N 5.20 1.00 -3.90 3.03 0.00 -1.72 0.50 119.26 123.38 1qhb h ALA 470 Ca -0.53 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 53.70 1qhb h ALA 470 Cb 1.22 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.77 1qhb h ALA 470 CO 0.61 0.00 -0.76 -0.06 0.00 0.00 0.00 179.25 179.04 1qhb s PHE 471 N -3.37 2.74 0.31 0.00 0.08 -1.26 -4.84 117.98 111.64 1qhb s PHE 471 Ca 0.05 -0.22 0.00 0.00 0.12 0.00 0.00 56.93 56.89 1qhb s PHE 471 Cb 0.07 -1.67 0.49 0.00 -0.57 0.00 0.00 43.02 41.35 1qhb s PHE 471 CO 0.60 0.14 1.91 0.00 -0.10 0.00 0.00 175.22 177.77 1qhb h ALA 472 N 5.55 1.35 -0.01 5.36 0.00 -1.86 -0.94 119.26 128.71 1qhb h ALA 472 Ca -0.43 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1qhb h ALA 472 Cb 1.16 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1qhb h ALA 472 CO 0.51 0.50 -0.04 -0.85 0.00 0.00 0.00 179.25 179.37 1qhb n GLU 473 N -4.35 1.27 0.00 0.00 0.00 -1.26 -4.77 120.64 111.54 1qhb n GLU 473 Ca 0.05 -0.58 0.00 0.00 0.00 0.00 0.00 57.16 56.64 1qhb n GLU 473 Cb 0.14 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.09 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 1.17 0.63 3.83 -1.84 0.00 -0.36 -4.82 105.19 103.81 1qhb n GLY 474 Ca 0.19 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 1qhb n GLY 474 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qhb s SER 475 N -4.00 5.30 1.18 1.61 1.04 -1.26 -4.82 113.70 112.75 1qhb s SER 475 Ca 0.00 1.42 -0.13 0.00 0.48 0.00 0.00 55.95 57.73 1qhb s SER 475 Cb 0.00 -2.28 0.29 0.00 0.10 0.00 0.00 66.02 64.13 1qhb s SER 475 CO 0.00 -1.47 1.02 -2.84 0.98 0.00 0.00 173.24 170.94 1qhb s PRO 476 N -5.15 -1.02 -1.26 4.02 0.02 -1.26 -4.87 135.00 125.48 1qhb s PRO 476 Ca 0.58 0.81 -0.07 0.00 0.02 0.00 0.00 61.00 62.35 1qhb s PRO 476 Cb -0.13 -1.54 0.03 0.00 0.02 0.00 0.00 34.50 32.88 1qhb s PRO 476 CO 0.54 -3.79 2.67 1.19 -0.33 0.00 0.00 177.00 177.28 1qhb n PHE 477 N -4.96 2.30 -3.53 6.54 3.01 -1.26 -4.82 117.46 114.74 1qhb n PHE 477 Ca 0.03 -2.75 -0.15 0.00 1.01 0.00 0.00 57.45 55.59 1qhb n PHE 477 Cb 0.54 -1.98 -0.05 0.00 -0.01 0.00 0.00 39.48 37.98 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 -0.09 -0.56 0.98 1.38 -3.43 -1.26 -3.03 115.29 109.28 1qhb s HIS 478 Ca 0.60 0.92 -0.13 0.00 -0.80 0.00 0.00 55.06 55.65 1qhb s HIS 478 Cb 0.21 0.43 0.06 0.00 -1.43 0.00 0.00 32.58 31.85 1qhb s HIS 478 CO -0.09 -0.53 0.44 -2.30 -2.00 0.00 0.00 174.74 170.25 1qhb n PRO 479 N 0.77 -0.54 0.15 -0.38 -0.02 -1.26 -4.94 135.00 128.78 1qhb n PRO 479 Ca -0.16 -0.12 0.03 0.00 -2.02 0.00 0.00 63.50 61.23 1qhb n PRO 479 Cb 0.58 -1.89 0.15 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 -1.69 0.00 -3.34 2.55 0.87 -1.62 -3.45 113.55 106.87 1qhb h SER 480 Ca -0.45 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.54 1qhb h SER 480 Cb 1.29 0.00 -0.38 0.00 -0.44 0.00 0.00 62.40 62.88 1qhb h SER 480 CO 0.36 0.49 -0.80 -0.47 -0.53 0.00 0.00 176.83 175.89 1qhb s TYR 481 N -3.22 1.84 0.00 2.24 5.04 -1.26 -4.17 117.35 117.81 1qhb s TYR 481 Ca 0.02 -1.17 0.00 0.00 -2.44 0.00 0.00 57.07 53.48 1qhb s TYR 481 Cb 0.09 -1.38 0.00 0.00 0.35 0.00 0.00 41.96 41.02 1qhb s TYR 481 CO 0.73 -0.64 0.00 0.41 -1.34 0.00 0.00 175.55 174.71 1qhb n GLY 482 N 4.84 1.34 3.43 8.97 0.00 -1.26 -2.95 105.19 119.56 1qhb n GLY 482 Ca -0.13 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.78 1qhb n GLY 482 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qhb s SER 483 N -1.00 3.74 0.11 1.61 0.15 -1.26 -4.86 113.70 112.20 1qhb s SER 483 Ca 0.00 -0.31 -0.13 0.00 0.70 0.00 0.00 55.95 56.21 1qhb s SER 483 Cb 0.00 -0.67 -0.09 0.00 -1.71 0.00 0.00 66.02 63.55 1qhb s SER 483 CO 0.00 0.32 1.40 1.23 1.20 0.00 0.00 173.24 177.39 1qhb h GLY 484 N 5.21 0.89 0.98 9.45 0.00 -1.94 -0.41 103.07 117.24 1qhb h GLY 484 Ca -0.46 -1.00 -0.00 0.00 0.00 0.00 0.00 47.33 45.87 1qhb h GLY 484 CO 0.49 0.90 0.19 0.45 0.00 0.00 0.00 176.54 178.56 1qhb h HIS 485 N 0.58 0.40 -0.05 5.60 3.86 -1.95 -2.54 115.15 121.05 1qhb h HIS 485 Ca 0.03 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.04 1qhb h HIS 485 Cb 1.05 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 29.38 1qhb h HIS 485 CO 0.08 0.29 -0.80 0.00 0.86 0.00 0.00 177.93 178.35 1qhb h ALA 486 N 1.08 0.52 -0.33 2.45 0.00 -1.89 -1.07 119.26 120.02 1qhb h ALA 486 Ca 0.11 -0.65 -0.12 0.00 0.00 0.00 0.00 54.91 54.26 1qhb h ALA 486 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1qhb h ALA 486 CO -0.02 0.79 -0.27 -0.24 0.00 0.00 0.00 179.25 179.51 1qhb h VAL 487 N 0.25 1.28 -0.21 0.00 3.04 -1.06 -0.77 116.25 118.78 1qhb h VAL 487 Ca -0.05 -1.38 -0.15 0.00 -1.01 0.00 0.00 66.70 64.12 1qhb h VAL 487 Cb 1.40 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 32.00 1qhb h VAL 487 CO 0.14 0.45 -0.45 0.58 -1.01 0.00 0.00 177.57 177.28 1qhb h VAL 488 N 0.58 1.32 -0.34 1.51 2.07 -1.41 -2.34 116.25 117.65 1qhb h VAL 488 Ca 0.08 -1.67 0.03 0.00 0.82 0.00 0.00 66.70 65.96 1qhb h VAL 488 Cb 0.77 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 1qhb h VAL 488 CO 0.06 0.52 0.13 0.00 0.02 0.00 0.00 177.57 178.30 1qhb h ALA 489 N 0.61 0.39 -0.22 1.67 0.00 -1.07 -0.14 119.26 120.50 1qhb h ALA 489 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1qhb h ALA 489 Cb 1.05 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1qhb h ALA 489 CO 0.10 -0.26 0.02 0.78 0.00 0.00 0.00 179.25 179.89 1qhb h GLY 490 N 0.28 0.23 0.91 0.00 0.00 -1.04 -0.98 103.07 102.46 1qhb h GLY 490 Ca 0.15 0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.40 1qhb h GLY 490 CO -0.14 -0.03 -0.14 0.00 0.00 0.00 0.00 176.54 176.23 1qhb h ALA 491 N 1.18 0.41 -0.36 3.60 0.00 -1.17 -2.98 119.26 119.95 1qhb h ALA 491 Ca 0.10 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1qhb h ALA 491 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1qhb h ALA 491 CO -0.16 0.30 -0.37 0.00 0.00 0.00 0.00 179.25 179.02 1qhb h VAL 493 N 0.70 0.17 -0.52 0.00 -1.51 -1.27 -2.01 116.25 111.80 1qhb h VAL 493 Ca 0.06 -0.91 -0.09 0.00 -1.23 0.00 0.00 66.70 64.53 1qhb h VAL 493 Cb 0.94 1.78 -0.02 0.00 -2.13 0.00 0.00 31.29 31.87 1qhb h VAL 493 CO 0.09 0.08 -0.04 0.74 -1.23 0.00 0.00 177.57 177.21 1qhb h THR 494 N 0.00 1.27 -0.10 7.19 2.02 -1.35 -0.58 112.91 121.35 1qhb h THR 494 Ca -0.00 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.01 1qhb h THR 494 Cb 0.78 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1qhb h THR 494 CO 0.01 0.41 0.04 0.40 0.37 0.00 0.00 175.52 176.74 1qhb h ILE 495 N 0.81 1.16 -0.54 3.11 1.08 -0.97 -1.96 117.51 120.20 1qhb h ILE 495 Ca 0.14 -0.49 -0.08 0.00 -0.39 0.00 0.00 64.86 64.04 1qhb h ILE 495 Cb 0.58 1.30 -0.02 0.00 -3.07 0.00 0.00 36.82 35.61 1qhb h ILE 495 CO 0.03 0.14 0.02 -0.07 -0.69 0.00 0.00 178.15 177.59 1qhb h LEU 496 N -0.01 0.87 -0.67 1.44 3.38 -1.27 -1.03 115.31 118.02 1qhb h LEU 496 Ca 0.03 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 1qhb h LEU 496 Cb 0.20 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1qhb h LEU 496 CO -0.00 0.92 -0.11 0.11 0.09 0.00 0.00 178.44 179.44 1qhb h LYS 497 N 0.84 0.92 -0.48 1.13 1.57 -0.91 -1.28 116.57 118.35 1qhb h LYS 497 Ca 0.16 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.53 1qhb h LYS 497 Cb 0.47 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1qhb h LYS 497 CO 0.02 0.98 -0.02 0.00 -0.57 0.00 0.00 179.45 179.86 1qhb h ALA 498 N 1.04 0.65 0.10 3.86 0.00 -1.10 -3.35 119.26 120.46 1qhb h ALA 498 Ca 0.13 -0.29 -0.28 0.00 0.00 0.00 0.00 54.91 54.47 1qhb h ALA 498 Cb 0.65 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.28 1qhb h ALA 498 CO 0.04 0.48 -1.19 0.35 0.00 0.00 0.00 179.25 178.93 1qhb h PHE 499 N 0.72 0.79 -2.16 0.00 3.04 -0.98 -3.38 116.94 114.96 1qhb h PHE 499 Ca 0.13 -0.50 -0.44 0.00 3.98 0.00 0.00 57.97 61.14 1qhb h PHE 499 Cb 0.55 -0.06 0.02 0.00 2.56 0.00 0.00 35.95 39.02 1qhb h PHE 499 CO 0.04 1.36 -0.18 -0.06 -2.02 0.00 0.00 178.31 177.45 1qhb s PHE 500 N -2.94 3.02 -1.06 0.41 0.40 -0.50 -0.93 117.98 116.38 1qhb s PHE 500 Ca -0.07 -0.08 -0.22 0.00 -0.60 0.00 0.00 56.93 55.96 1qhb s PHE 500 Cb 0.07 -2.34 0.05 0.00 0.51 0.00 0.00 43.02 41.30 1qhb s PHE 500 CO 0.91 -0.40 1.52 0.34 0.70 0.00 0.00 175.22 178.29 1qhb s ASP 501 N -4.28 6.48 0.52 1.36 -1.08 -0.31 -3.65 116.67 115.70 1qhb s ASP 501 Ca 0.51 -1.57 0.20 0.00 -0.52 0.00 0.00 52.55 51.16 1qhb s ASP 501 Cb -0.10 -2.57 1.30 0.00 -1.46 0.00 0.00 42.92 40.09 1qhb s ASP 501 CO 0.35 -1.52 2.06 0.00 0.52 0.00 0.00 175.17 176.58 1qhb h ALA 502 N 9.52 2.23 -0.01 3.66 0.00 -1.89 -2.42 119.26 130.35 1qhb h ALA 502 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1qhb h ALA 502 Cb 0.99 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1qhb h ALA 502 CO 1.42 -0.31 -0.04 0.09 0.00 0.00 0.00 179.25 180.41 1qhb n ASN 503 N -4.46 0.76 -4.67 0.00 5.03 -1.26 0.25 115.26 110.91 1qhb n ASN 503 Ca 0.04 -1.08 -0.41 0.00 0.87 0.00 0.00 54.58 53.99 1qhb n ASN 503 Cb 0.35 -0.01 0.01 0.00 -1.02 0.00 0.00 39.78 39.11 1qhb n ASN 503 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1qhb n PHE 504 N -0.51 1.81 -3.67 3.10 7.35 -0.91 -4.79 117.46 119.84 1qhb n PHE 504 Ca 0.19 0.53 -0.35 0.00 -0.76 0.00 0.00 57.45 57.06 1qhb n PHE 504 Cb 0.26 -2.33 -0.05 0.00 0.35 0.00 0.00 39.48 37.71 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 -2.13 3.67 -0.26 -4.13 -0.21 -1.26 -2.28 119.66 113.06 1qhb s GLN 505 Ca 0.62 0.05 -0.07 0.00 0.02 0.00 0.00 55.36 55.97 1qhb s GLN 505 Cb -0.53 -3.05 -0.02 0.00 1.00 0.00 0.00 33.01 30.41 1qhb s GLN 505 CO 0.58 0.61 0.08 0.42 -2.12 0.00 0.00 175.29 174.86 1qhb s ILE 506 N -1.33 4.26 -0.36 1.08 1.01 0.72 -4.94 121.20 121.64 1qhb s ILE 506 Ca 0.30 -0.29 0.22 0.00 0.00 0.00 0.00 60.65 60.87 1qhb s ILE 506 Cb -0.14 -3.04 -0.25 0.00 0.01 0.00 0.00 42.46 39.04 1qhb s ILE 506 CO 0.17 0.27 0.71 0.47 0.00 0.00 0.00 174.94 176.55 1qhb n ASP 507 N 4.92 0.39 -4.47 3.58 8.00 -1.26 -0.94 116.55 126.76 1qhb n ASP 507 Ca -0.16 -0.23 -0.38 0.00 0.71 0.00 0.00 54.79 54.73 1qhb n ASP 507 Cb 0.51 1.46 -0.12 0.00 -0.02 0.00 0.00 41.12 42.95 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 -3.34 3.53 -0.16 -1.24 -0.21 -1.26 -4.86 119.66 112.12 1qhb s GLN 508 Ca -0.02 -0.59 0.01 0.00 0.02 0.00 0.00 55.36 54.79 1qhb s GLN 508 Cb 0.14 -3.53 0.01 0.00 1.00 0.00 0.00 33.01 30.63 1qhb s GLN 508 CO 0.87 -0.32 -0.18 0.08 -2.12 0.00 0.00 175.29 173.63 1qhb s VAL 509 N 1.64 2.36 0.25 1.09 1.01 -1.26 -5.02 120.40 120.48 1qhb s VAL 509 Ca 0.06 -0.87 0.12 0.00 0.00 0.00 0.00 61.98 61.29 1qhb s VAL 509 Cb -0.16 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1qhb s VAL 509 CO 0.07 0.53 -0.21 -0.36 0.00 0.00 0.00 175.10 175.12 1qhb s PHE 510 N 0.95 2.27 0.16 5.22 0.08 -1.26 -0.94 117.98 124.46 1qhb s PHE 510 Ca -0.03 -0.35 -0.02 0.00 0.12 0.00 0.00 56.93 56.65 1qhb s PHE 510 Cb -0.15 -1.02 -0.04 0.00 -0.57 0.00 0.00 43.02 41.24 1qhb s PHE 510 CO -0.04 0.64 0.11 -1.21 -0.10 0.00 0.00 175.22 174.63 1qhb s GLU 511 N -3.27 1.07 0.01 0.44 2.02 -0.36 -4.75 118.70 113.85 1qhb s GLU 511 Ca 0.27 -1.48 -0.25 0.00 0.02 0.00 0.00 54.97 53.53 1qhb s GLU 511 Cb -0.06 0.27 -0.05 0.00 0.10 0.00 0.00 34.13 34.40 1qhb s GLU 511 CO 0.13 -0.33 0.76 0.08 0.02 0.00 0.00 175.26 175.92 1qhb s VAL 512 N -4.08 4.84 0.51 2.63 1.01 -1.26 -0.73 120.40 123.32 1qhb s VAL 512 Ca 0.29 1.59 -0.23 0.00 0.00 0.00 0.00 61.98 63.64 1qhb s VAL 512 Cb 0.07 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 1qhb s VAL 512 CO 0.06 0.32 1.34 -0.67 0.00 0.00 0.00 175.10 176.14 1qhb n ASP 513 N 3.18 2.70 0.22 3.32 2.03 0.04 -4.76 116.55 123.26 1qhb n ASP 513 Ca -0.02 1.02 0.15 0.00 0.52 0.00 0.00 54.79 56.46 1qhb n ASP 513 Cb 0.51 -1.56 0.51 0.00 -0.72 0.00 0.00 41.12 39.86 1qhb n ASP 513 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1qhb h THR 514 N 1.67 0.00 0.00 5.18 1.35 -1.91 -3.36 112.91 115.84 1qhb h THR 514 Ca -0.50 -0.54 -0.02 0.00 -0.55 0.00 0.00 66.41 64.80 1qhb h THR 514 Cb 1.30 1.48 -0.00 0.00 -1.73 0.00 0.00 68.15 69.20 1qhb h THR 514 CO 0.58 0.00 -1.12 0.47 -0.25 0.00 0.00 175.52 175.20 1qhb n ASP 515 N -2.82 4.51 -4.52 5.36 8.00 -1.26 -5.05 116.55 120.78 1qhb n ASP 515 Ca 0.02 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.28 1qhb n ASP 515 Cb 0.35 0.76 -0.09 0.00 -0.02 0.00 0.00 41.12 42.12 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 -2.09 1.85 -1.39 -1.24 2.02 -1.26 -5.04 118.70 111.55 1qhb s GLU 516 Ca -0.01 -1.63 -0.15 0.00 0.02 0.00 0.00 54.97 53.20 1qhb s GLU 516 Cb 0.01 -1.90 0.05 0.00 0.10 0.00 0.00 34.13 32.39 1qhb s GLU 516 CO 0.08 0.35 2.03 -3.47 0.02 0.00 0.00 175.26 174.28 1qhb n ASP 517 N -0.59 4.31 -3.68 -0.19 2.03 -1.26 -4.05 116.55 113.13 1qhb n ASP 517 Ca -0.06 -2.88 -0.10 0.00 0.52 0.00 0.00 54.79 52.27 1qhb n ASP 517 Cb 0.59 -1.69 -0.03 0.00 -0.72 0.00 0.00 41.12 39.27 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 3.52 1.36 0.10 -0.67 -2.85 -1.26 -4.90 119.74 115.04 1qhb s LYS 518 Ca 0.49 -0.79 -0.19 0.00 -1.00 0.00 0.00 55.97 54.49 1qhb s LYS 518 Cb 0.10 0.54 -0.07 0.00 -2.06 0.00 0.00 37.83 36.34 1qhb s LYS 518 CO -0.02 -0.58 0.59 -0.51 0.10 0.00 0.00 175.35 174.93 1qhb s LEU 519 N -2.85 4.50 0.12 2.77 1.43 -1.26 -0.78 118.68 122.61 1qhb s LEU 519 Ca 0.07 1.28 0.05 0.00 -1.03 0.00 0.00 54.13 54.50 1qhb s LEU 519 Cb -0.01 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 1qhb s LEU 519 CO -0.05 0.24 -0.11 0.68 0.23 0.00 0.00 176.35 177.34 1qhb s VAL 520 N -1.18 1.12 0.22 -1.59 -7.23 0.09 -4.84 120.40 106.99 1qhb s VAL 520 Ca 0.31 -1.84 -0.31 0.00 -1.81 0.00 0.00 61.98 58.34 1qhb s VAL 520 Cb -0.19 -1.60 -0.11 0.00 0.56 0.00 0.00 36.38 35.03 1qhb s VAL 520 CO 0.20 -0.61 1.61 -0.75 -0.31 0.00 0.00 175.10 175.24 1qhb s LYS 521 N -3.17 4.17 0.71 4.82 2.20 -1.26 -1.22 119.74 125.98 1qhb s LYS 521 Ca 0.11 2.49 -0.11 0.00 -0.36 0.00 0.00 55.97 58.11 1qhb s LYS 521 Cb -0.01 -3.09 0.02 0.00 -1.51 0.00 0.00 37.83 33.24 1qhb s LYS 521 CO 0.01 -0.64 1.07 0.45 -0.36 0.00 0.00 175.35 175.88 1qhb s SER 522 N 0.88 5.22 0.44 1.43 0.15 -0.12 -4.76 113.70 116.94 1qhb s SER 522 Ca 0.68 1.61 0.24 0.00 0.70 0.00 0.00 55.95 59.18 1qhb s SER 522 Cb -0.47 -2.46 0.51 0.00 -1.71 0.00 0.00 66.02 61.89 1qhb s SER 522 CO 0.37 -1.55 1.66 0.77 1.20 0.00 0.00 173.24 175.70 1qhb h SER 523 N -0.79 0.00 -3.01 5.45 4.64 -1.93 -3.43 113.55 114.49 1qhb h SER 523 Ca -0.44 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.35 1qhb h SER 523 Cb 1.22 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1qhb h SER 523 CO 0.56 0.06 0.72 0.12 -0.87 0.00 0.00 176.83 177.42 1qhb s PHE 524 N -3.28 3.21 0.13 4.77 5.36 -1.26 -4.93 117.98 121.98 1qhb s PHE 524 Ca 0.06 0.97 -0.15 0.00 -0.96 0.00 0.00 56.93 56.84 1qhb s PHE 524 Cb 0.06 -3.65 -0.01 0.00 -0.34 0.00 0.00 43.02 39.08 1qhb s PHE 524 CO 0.65 -2.26 1.64 -1.35 -1.46 0.00 0.00 175.22 172.44 1qhb h PRO 525 N 6.97 0.64 0.00 10.12 0.11 -1.98 -3.46 132.00 144.39 1qhb h PRO 525 Ca -0.41 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1qhb h PRO 525 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1qhb h PRO 525 CO 0.86 0.65 0.00 0.41 -0.21 0.00 0.00 178.00 179.72 1qhb n GLY 526 N -0.61 -2.06 3.91 -0.55 0.00 -1.26 -4.79 105.19 99.83 1qhb n GLY 526 Ca -0.00 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.14 1.46 0.37 1.61 0.04 -1.26 -5.13 135.00 131.95 1qhb s PRO 527 Ca 0.00 -0.09 0.08 0.00 0.04 0.00 0.00 61.00 61.03 1qhb s PRO 527 Cb 0.00 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1qhb s PRO 527 CO 0.00 -1.91 0.08 -0.51 0.04 0.00 0.00 177.00 174.70 1qhb s LEU 528 N -5.70 3.05 0.24 -3.56 1.43 -0.12 -4.92 118.68 109.10 1qhb s LEU 528 Ca 0.67 -1.01 0.08 0.00 -1.03 0.00 0.00 54.13 52.83 1qhb s LEU 528 Cb -0.08 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 1qhb s LEU 528 CO 0.50 -0.35 0.06 0.42 0.23 0.00 0.00 176.35 177.21 1qhb s THR 529 N -2.54 3.84 0.16 5.49 -4.23 -1.26 -0.20 115.64 116.90 1qhb s THR 529 Ca 0.37 -1.62 -0.15 0.00 -1.18 0.00 0.00 61.69 59.11 1qhb s THR 529 Cb 0.01 -3.03 0.05 0.00 1.34 0.00 0.00 72.50 70.87 1qhb s THR 529 CO 0.21 -0.30 1.75 0.58 -0.54 0.00 0.00 174.62 176.32 1qhb h VAL 530 N 1.91 0.86 -0.50 2.29 2.07 -1.23 -1.44 116.25 120.22 1qhb h VAL 530 Ca -0.46 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 66.99 1qhb h VAL 530 Cb 1.23 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1qhb h VAL 530 CO 0.60 0.05 0.27 0.00 0.02 0.00 0.00 177.57 178.52 1qhb h ALA 531 N 1.27 0.64 -0.43 1.67 0.00 -0.50 -0.06 119.26 121.85 1qhb h ALA 531 Ca 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1qhb h ALA 531 Cb 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1qhb h ALA 531 CO -0.20 -0.05 0.21 0.78 0.00 0.00 0.00 179.25 179.99 1qhb h GLY 532 N 0.54 0.65 2.00 0.00 0.00 -1.71 -0.90 103.07 103.64 1qhb h GLY 532 Ca 0.21 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 1qhb h GLY 532 CO -0.13 0.30 -0.31 0.83 0.00 0.00 0.00 176.54 177.23 1qhb h GLU 533 N 0.55 0.00 -0.01 4.80 4.39 -0.96 -1.66 114.58 121.68 1qhb h GLU 533 Ca 0.15 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.59 1qhb h GLU 533 Cb 0.10 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1qhb h GLU 533 CO -0.02 0.31 -1.01 -0.07 -1.16 0.00 0.00 179.01 177.06 1qhb h LEU 534 N 0.00 0.91 -0.34 1.33 3.38 -0.82 -2.16 115.31 117.61 1qhb h LEU 534 Ca -0.00 -0.73 -0.02 0.00 0.09 0.00 0.00 57.88 57.22 1qhb h LEU 534 Cb 0.92 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1qhb h LEU 534 CO 0.04 1.52 0.13 0.78 0.09 0.00 0.00 178.44 181.01 1qhb h ASN 535 N 0.40 0.47 -0.94 -0.43 2.35 -1.09 -1.84 115.58 114.49 1qhb h ASN 535 Ca -0.12 -0.17 0.07 0.00 -0.55 0.00 0.00 56.30 55.53 1qhb h ASN 535 Cb 1.66 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 39.85 1qhb h ASN 535 CO 0.20 0.51 0.60 0.50 -1.65 0.00 0.00 177.43 177.58 1qhb h LYS 536 N 0.40 1.05 -0.25 0.81 3.64 -1.36 -1.05 116.57 119.81 1qhb h LYS 536 Ca 0.11 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1qhb h LYS 536 Cb 0.19 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1qhb h LYS 536 CO -0.01 0.69 0.12 1.25 -2.27 0.00 0.00 179.45 179.23 1qhb h LEU 537 N 1.08 0.32 -0.21 5.20 5.85 -0.98 0.50 115.31 127.06 1qhb h LEU 537 Ca 0.41 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 59.06 1qhb h LEU 537 Cb 0.18 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 1qhb h LEU 537 CO -0.18 0.35 -0.11 0.00 -0.34 0.00 0.00 178.44 178.16 1qhb h ALA 538 N 0.99 0.07 -0.78 1.25 0.00 -0.95 -1.11 119.26 118.72 1qhb h ALA 538 Ca 0.09 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1qhb h ALA 538 Cb 0.11 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1qhb h ALA 538 CO -0.01 -0.53 0.34 -0.44 0.00 0.00 0.00 179.25 178.60 1qhb h ASP 539 N -0.09 1.06 0.00 0.00 3.32 -0.65 -1.34 116.42 118.71 1qhb h ASP 539 Ca 0.12 -0.15 0.02 0.00 0.02 0.00 0.00 57.03 57.04 1qhb h ASP 539 Cb 0.26 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1qhb h ASP 539 CO -0.27 0.92 -0.16 0.78 -1.72 0.00 0.00 179.24 178.79 1qhb h ASN 540 N 1.13 -0.46 -0.46 6.45 -0.26 0.52 0.49 115.58 122.98 1qhb h ASN 540 Ca 0.26 0.07 -0.07 0.00 -0.56 0.00 0.00 56.30 56.00 1qhb h ASN 540 Cb 0.18 0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.62 1qhb h ASN 540 CO -0.03 -0.22 0.01 0.58 -1.06 0.00 0.00 177.43 176.72 1qhb h VAL 541 N -0.26 1.26 -0.06 2.81 2.07 -1.06 0.67 116.25 121.67 1qhb h VAL 541 Ca 0.05 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1qhb h VAL 541 Cb 0.33 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1qhb h VAL 541 CO -0.15 0.36 0.02 0.00 0.02 0.00 0.00 177.57 177.81 1qhb h ALA 542 N 0.92 0.08 0.00 1.67 0.00 -1.15 -3.08 119.26 117.70 1qhb h ALA 542 Ca 0.13 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1qhb h ALA 542 Cb 0.48 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1qhb h ALA 542 CO 0.02 -0.29 -0.48 0.82 0.00 0.00 0.00 179.25 179.32 1qhb h ILE 543 N -0.11 1.29 -0.83 0.00 1.08 -0.91 -1.88 117.51 116.16 1qhb h ILE 543 Ca 0.02 -1.66 0.18 0.00 -0.39 0.00 0.00 64.86 63.01 1qhb h ILE 543 Cb 0.24 1.90 -0.06 0.00 -3.07 0.00 0.00 36.82 35.84 1qhb h ILE 543 CO 0.00 0.47 0.55 1.23 -0.69 0.00 0.00 178.15 179.71 1qhb h GLY 544 N 1.52 0.78 1.70 5.37 0.00 -0.77 0.68 103.07 112.35 1qhb h GLY 544 Ca -0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 47.33 47.02 1qhb h GLY 544 CO 0.06 0.03 -0.48 3.21 0.00 0.00 0.00 176.54 179.37 1qhb h ARG 545 N 0.41 0.33 -0.34 4.80 2.47 -1.33 -2.71 114.38 118.02 1qhb h ARG 545 Ca 0.42 -0.18 -0.01 0.00 -1.26 0.00 0.00 59.98 58.94 1qhb h ARG 545 Cb 1.01 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.32 1qhb h ARG 545 CO -0.14 0.74 0.15 -0.91 0.56 0.00 0.00 179.97 180.37 1qhb h ASN 546 N 0.27 0.45 -0.37 7.04 4.21 -1.08 -2.05 115.58 124.05 1qhb h ASN 546 Ca 0.01 -0.14 0.11 0.00 1.21 0.00 0.00 56.30 57.49 1qhb h ASN 546 Cb 0.94 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 38.01 1qhb h ASN 546 CO 0.08 0.47 0.27 0.24 -1.29 0.00 0.00 177.43 177.20 1qhb h MET 547 N 0.40 0.00 0.00 0.81 2.86 -0.81 0.38 114.93 118.57 1qhb h MET 547 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1qhb h MET 547 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1qhb h MET 547 CO -0.01 0.00 -0.08 0.00 1.06 0.00 0.00 176.91 177.88 1qhb h ALA 548 N 1.80 0.96 0.00 6.32 0.00 -1.15 -3.43 119.26 123.75 1qhb h ALA 548 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1qhb h ALA 548 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1qhb h ALA 548 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1qhb n GLY 549 N 1.15 0.76 0.29 0.00 0.00 0.13 -2.07 105.19 105.45 1qhb n GLY 549 Ca 0.04 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.39 0.00 -4.10 1.61 0.24 -0.80 -4.18 118.33 108.70 1qhb n VAL 550 Ca 0.00 -0.31 -0.09 0.00 -2.04 0.00 0.00 64.34 61.90 1qhb n VAL 550 Cb 0.00 1.15 -0.10 0.00 -1.47 0.00 0.00 33.84 33.42 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 -1.91 0.67 0.29 6.34 4.02 -1.24 -4.58 115.29 118.88 1qhb s HIS 551 Ca 0.11 -1.11 0.07 0.00 1.02 0.00 0.00 55.06 55.16 1qhb s HIS 551 Cb 0.12 -0.40 -0.03 0.00 -1.02 0.00 0.00 32.58 31.25 1qhb s HIS 551 CO 0.42 -0.48 0.22 0.71 1.02 0.00 0.00 174.74 176.63 1qhb s TYR 552 N -3.99 3.00 0.21 1.40 1.51 -1.26 -4.31 117.35 113.91 1qhb s TYR 552 Ca 0.16 -0.20 -0.12 0.00 -1.01 0.00 0.00 57.07 55.91 1qhb s TYR 552 Cb 0.07 -1.55 0.28 0.00 -0.11 0.00 0.00 41.96 40.65 1qhb s TYR 552 CO -0.03 0.39 1.64 0.35 -1.11 0.00 0.00 175.55 176.78 1qhb h PHE 553 N 1.42 -0.21 0.00 2.71 3.57 -1.99 -2.44 116.94 119.99 1qhb h PHE 553 Ca -0.47 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.02 1qhb h PHE 553 Cb 1.25 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.17 1qhb h PHE 553 CO 0.55 -0.24 -0.33 0.66 -2.23 0.00 0.00 178.31 176.73 1qhb h SER 554 N 0.04 0.00 -0.85 0.41 4.64 -1.97 -2.02 113.55 113.80 1qhb h SER 554 Ca 0.32 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.62 1qhb h SER 554 Cb 0.51 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.56 1qhb h SER 554 CO -0.61 0.33 0.44 0.44 -0.87 0.00 0.00 176.83 176.55 1qhb h ASP 555 N 0.00 1.09 0.04 4.97 3.32 -1.75 -2.54 116.42 121.54 1qhb h ASP 555 Ca -0.00 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 1qhb h ASP 555 Cb 0.60 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1qhb h ASP 555 CO 0.04 0.89 -0.02 1.56 -1.72 0.00 0.00 179.24 180.00 1qhb h GLN 556 N 1.20 -0.05 -0.34 3.56 1.08 -1.33 -2.52 115.11 116.71 1qhb h GLN 556 Ca 0.30 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.52 1qhb h GLN 556 Cb 0.07 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 1qhb h GLN 556 CO -0.04 0.59 0.18 0.35 -0.95 0.00 0.00 178.83 178.96 1qhb h PHE 557 N -0.81 0.34 -0.18 2.96 3.57 -1.51 -1.32 116.94 119.99 1qhb h PHE 557 Ca -0.01 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 1qhb h PHE 557 Cb 0.67 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1qhb h PHE 557 CO 0.16 0.19 -0.35 0.93 -2.23 0.00 0.00 178.31 177.00 1qhb h GLU 558 N 0.37 0.37 -0.13 1.11 4.39 -1.56 -2.57 114.58 116.57 1qhb h GLU 558 Ca 0.14 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 1qhb h GLU 558 Cb 0.03 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1qhb h GLU 558 CO -0.08 0.68 -0.29 0.77 -1.16 0.00 0.00 179.01 178.93 1qhb h SER 559 N 0.32 0.24 -0.37 1.42 0.02 -1.07 -2.51 113.55 111.59 1qhb h SER 559 Ca 0.04 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.85 1qhb h SER 559 Cb 0.77 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1qhb h SER 559 CO 0.06 0.53 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.19 1qhb h LEU 560 N 0.21 0.66 -0.93 5.07 3.38 -0.85 -0.95 115.31 121.90 1qhb h LEU 560 Ca 0.03 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 1qhb h LEU 560 Cb 0.62 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1qhb h LEU 560 CO 0.05 0.82 0.23 -0.07 0.09 0.00 0.00 178.44 179.56 1qhb h LEU 561 N 0.48 0.94 -0.64 1.67 3.38 -1.43 -2.25 115.31 117.46 1qhb h LEU 561 Ca 0.10 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1qhb h LEU 561 Cb 0.49 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1qhb h LEU 561 CO 0.02 0.86 0.11 0.25 0.09 0.00 0.00 178.44 179.78 1qhb h LEU 562 N 0.99 1.01 -0.62 1.67 5.85 -1.19 -2.96 115.31 120.05 1qhb h LEU 562 Ca 0.22 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 1qhb h LEU 562 Cb 0.24 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1qhb h LEU 562 CO -0.01 1.01 0.24 1.23 -0.34 0.00 0.00 178.44 180.56 1qhb h GLY 563 N 0.97 1.01 0.36 3.75 0.00 -0.87 -2.20 103.07 106.09 1qhb h GLY 563 Ca 0.20 -0.56 0.09 0.00 0.00 0.00 0.00 47.33 47.06 1qhb h GLY 563 CO 0.01 0.53 0.15 -2.09 0.00 0.00 0.00 176.54 175.14 1qhb h GLU 564 N 0.88 0.30 -0.43 4.80 4.81 -1.28 -1.58 114.58 122.08 1qhb h GLU 564 Ca 0.21 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1qhb h GLU 564 Cb 0.22 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1qhb h GLU 564 CO -0.01 0.20 0.28 1.96 -0.73 0.00 0.00 179.01 180.70 1qhb h GLN 565 N 0.31 0.55 -0.33 1.92 4.20 -1.33 0.46 115.11 120.89 1qhb h GLN 565 Ca 0.28 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 1qhb h GLN 565 Cb 0.36 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1qhb h GLN 565 CO -0.32 0.37 0.20 0.82 -0.67 0.00 0.00 178.83 179.22 1qhb h ILE 566 N 0.57 1.12 -0.51 2.54 1.08 -0.78 -0.87 117.51 120.66 1qhb h ILE 566 Ca 0.16 -0.28 -0.02 0.00 -0.39 0.00 0.00 64.86 64.33 1qhb h ILE 566 Cb -0.05 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 1qhb h ILE 566 CO -0.05 0.12 0.23 0.00 -0.69 0.00 0.00 178.15 177.76 1qhb h ALA 567 N 1.08 0.66 -0.35 1.87 0.00 -1.10 -1.90 119.26 119.52 1qhb h ALA 567 Ca 0.12 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1qhb h ALA 567 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1qhb h ALA 567 CO -0.02 0.25 0.20 0.82 0.00 0.00 0.00 179.25 180.50 1qhb h ILE 568 N 0.68 1.03 -0.39 0.00 2.04 -0.77 -1.62 117.51 118.48 1qhb h ILE 568 Ca 0.17 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1qhb h ILE 568 Cb 0.16 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1qhb h ILE 568 CO -0.02 0.08 0.19 1.23 0.00 0.00 0.00 178.15 179.62 1qhb h GLY 569 N 0.41 0.57 0.84 5.37 0.00 -0.87 -1.78 103.07 107.61 1qhb h GLY 569 Ca 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1qhb h GLY 569 CO -0.07 0.24 0.04 -2.22 0.00 0.00 0.00 176.54 174.53 1qhb h ILE 570 N 0.54 1.20 -0.81 2.60 2.04 -0.99 -2.34 117.51 119.77 1qhb h ILE 570 Ca 0.14 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1qhb h ILE 570 Cb 0.06 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1qhb h ILE 570 CO -0.02 0.20 0.48 -0.07 0.00 0.00 0.00 178.15 178.73 1qhb h LEU 571 N 0.08 0.98 -0.19 1.44 3.38 -1.09 -0.29 115.31 119.62 1qhb h LEU 571 Ca 0.05 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1qhb h LEU 571 Cb 0.27 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1qhb h LEU 571 CO 0.00 0.76 0.12 -0.33 0.09 0.00 0.00 178.44 179.08 1qhb h GLU 572 N 1.11 0.24 -0.71 1.13 5.08 -1.22 -1.67 114.58 118.54 1qhb h GLU 572 Ca 0.29 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.56 1qhb h GLU 572 Cb -0.03 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1qhb h GLU 572 CO -0.05 0.16 0.16 0.93 -1.00 0.00 0.00 179.01 179.21 1qhb h GLU 573 N 0.25 1.14 0.00 2.33 5.08 -1.24 -2.96 114.58 119.18 1qhb h GLU 573 Ca 0.07 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1qhb h GLU 573 Cb -0.02 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1qhb h GLU 573 CO -0.02 1.01 0.00 1.96 -1.00 0.00 0.00 179.01 180.96 1qhb h GLN 574 N 1.07 0.00 0.00 2.33 4.20 -0.87 -3.02 115.11 118.82 1qhb h GLN 574 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1qhb h GLN 574 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1qhb h GLN 574 CO 0.00 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.82 1qhb h SER 575 N 0.00 0.00 0.87 1.46 4.64 -1.12 -1.79 113.55 117.61 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 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1qhb h SER 575 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1qhb n LEU 576 N -2.91 0.10 0.08 5.97 4.77 -1.14 -3.87 117.00 120.00 1qhb n LEU 576 Ca -0.00 0.51 0.12 0.00 -0.03 0.00 0.00 56.01 56.61 1qhb n LEU 576 Cb 0.20 -0.49 0.06 0.00 -2.33 0.00 0.00 43.42 40.86 1qhb n LEU 576 CO 0.23 -0.12 0.13 0.35 -1.33 0.00 0.00 177.39 176.64 1qhb n THR 577 N -1.60 0.46 -3.49 -5.08 -2.24 -0.67 -4.93 114.28 96.74 1qhb n THR 577 Ca 0.06 -0.41 -0.37 0.00 -2.27 0.00 0.00 64.05 61.05 1qhb n THR 577 Cb 0.29 -0.19 -0.06 0.00 -2.10 0.00 0.00 70.33 68.27 1qhb n THR 577 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1qhb s TYR 578 N -3.28 3.71 -0.65 4.78 2.02 -1.25 -4.99 117.35 117.69 1qhb s TYR 578 Ca 0.02 0.99 0.23 0.00 -0.37 0.00 0.00 57.07 57.94 1qhb s TYR 578 Cb 0.12 -2.29 0.02 0.00 -0.40 0.00 0.00 41.96 39.40 1qhb s TYR 578 CO 0.77 0.61 1.00 0.41 -1.57 0.00 0.00 175.55 176.77 1qhb n GLY 579 N 1.63 -1.17 3.74 0.71 0.00 -1.26 -4.95 105.19 103.89 1qhb n GLY 579 Ca -0.12 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.18 1.84 -0.48 1.61 8.01 -1.26 -4.98 118.70 120.26 1qhb s GLU 580 Ca 0.04 1.13 -0.14 0.00 0.01 0.00 0.00 54.97 56.01 1qhb s GLU 580 Cb 0.15 -1.85 0.09 0.00 -4.31 0.00 0.00 34.13 28.21 1qhb s GLU 580 CO 0.81 -1.92 0.40 1.21 0.01 0.00 0.00 175.26 175.76 1qhb s ASN 581 N -3.30 6.03 0.23 -0.19 2.47 -1.26 -5.00 114.94 113.92 1qhb s ASN 581 Ca 0.62 -1.53 -0.15 0.00 0.42 0.00 0.00 52.86 52.23 1qhb s ASN 581 Cb -0.18 -2.14 0.06 0.00 -1.45 0.00 0.00 41.25 37.53 1qhb s ASN 581 CO 0.57 -0.69 0.75 2.22 -3.72 0.00 0.00 177.10 176.23 1qhb n PHE 582 N 5.14 -1.61 -3.44 0.43 -1.74 -1.26 -4.75 117.46 110.22 1qhb n PHE 582 Ca -0.12 -1.24 -0.11 0.00 -0.56 0.00 0.00 57.45 55.42 1qhb n PHE 582 Cb 0.42 0.61 -0.02 0.00 1.52 0.00 0.00 39.48 42.02 1qhb n PHE 582 CO 0.00 0.00 0.00 -0.59 -0.56 0.00 0.00 176.76 175.61 1qhb s PHE 583 N -3.13 -0.50 -0.17 2.97 -0.71 -1.22 -5.02 117.98 110.21 1qhb s PHE 583 Ca 0.16 0.30 -0.13 0.00 -1.04 0.00 0.00 56.93 56.22 1qhb s PHE 583 Cb -0.03 0.56 -0.05 0.00 -1.21 0.00 0.00 43.02 42.29 1qhb s PHE 583 CO 0.07 -0.79 0.27 -0.06 -1.34 0.00 0.00 175.22 173.36 1qhb s PHE 584 N -3.63 3.46 -0.40 3.49 0.08 -1.26 -4.07 117.98 115.64 1qhb s PHE 584 Ca 0.02 0.55 -0.17 0.00 0.12 0.00 0.00 56.93 57.46 1qhb s PHE 584 Cb -0.01 -2.31 0.01 0.00 -0.57 0.00 0.00 43.02 40.15 1qhb s PHE 584 CO -0.12 0.26 0.41 1.21 -0.10 0.00 0.00 175.22 176.87 1qhb s ASN 585 N 0.42 6.18 -0.24 1.36 2.47 -1.26 -1.14 114.94 122.73 1qhb s ASN 585 Ca 0.15 -0.61 0.02 0.00 0.42 0.00 0.00 52.86 52.84 1qhb s ASN 585 Cb -0.13 -2.21 0.05 0.00 -1.45 0.00 0.00 41.25 37.52 1qhb s ASN 585 CO 0.03 -0.52 -0.11 -0.22 -3.72 0.00 0.00 177.10 172.56 1qhb s LEU 586 N 2.07 3.06 -0.40 3.21 2.96 -0.30 -4.33 118.68 124.94 1qhb s LEU 586 Ca 0.11 -1.24 -0.28 0.00 -0.22 0.00 0.00 54.13 52.50 1qhb s LEU 586 Cb -0.17 -1.45 -0.00 0.00 0.50 0.00 0.00 46.19 45.06 1qhb s LEU 586 CO 0.13 -0.17 1.59 -2.16 -1.32 0.00 0.00 176.35 174.42 1qhb s PRO 587 N 1.19 3.41 0.92 0.98 0.05 -1.26 -1.81 135.00 138.48 1qhb s PRO 587 Ca -0.06 1.08 -0.13 0.00 0.05 0.00 0.00 61.00 61.94 1qhb s PRO 587 Cb -0.19 -4.12 0.14 0.00 0.05 0.00 0.00 34.50 30.38 1qhb s PRO 587 CO -0.06 -1.77 1.15 0.15 0.05 0.00 0.00 177.00 176.51 1qhb s LYS 588 N 5.38 1.10 0.49 4.56 1.02 0.11 -4.96 119.74 127.44 1qhb s LYS 588 Ca 0.68 0.24 0.21 0.00 0.02 0.00 0.00 55.97 57.13 1qhb s LYS 588 Cb -0.17 -1.84 1.25 0.00 -0.52 0.00 0.00 37.83 36.56 1qhb s LYS 588 CO 0.32 -2.22 2.04 0.74 -0.92 0.00 0.00 175.35 175.31 1qhb h PHE 589 N -1.51 0.00 -0.08 3.18 0.04 -1.95 -2.53 116.94 114.10 1qhb h PHE 589 Ca -0.50 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.27 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 0.16 0.15 0.00 -0.40 -0.60 0.00 0.00 178.31 177.62 1qhb n ASP 590 N -3.97 0.75 0.00 2.17 5.68 -1.26 -4.60 116.55 115.32 1qhb n ASP 590 Ca -0.02 -1.57 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 1qhb n ASP 590 Cb 0.23 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 1qhb n ASP 590 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qhb n GLY 591 N 0.93 0.94 3.97 6.12 0.00 -0.95 -5.05 105.19 111.15 1qhb n GLY 591 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.52 4.79 -0.05 2.61 -4.23 -1.26 -4.85 115.64 110.13 1qhb s THR 592 Ca 0.00 -0.86 0.02 0.00 -1.18 0.00 0.00 61.69 59.67 1qhb s THR 592 Cb 0.00 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.11 1qhb s THR 592 CO 0.00 -0.32 -0.08 -0.89 -0.54 0.00 0.00 174.62 172.79 1qhb s THR 593 N -2.14 3.56 -0.04 3.99 2.01 -1.26 0.04 115.64 121.81 1qhb s THR 593 Ca 0.39 -0.59 0.06 0.00 0.31 0.00 0.00 61.69 61.86 1qhb s THR 593 Cb -0.09 -2.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.93 1qhb s THR 593 CO 0.32 0.55 -0.22 -0.51 -0.69 0.00 0.00 174.62 174.07 1qhb s ILE 594 N -0.84 2.39 -0.30 1.82 2.07 -0.75 -4.95 121.20 120.64 1qhb s ILE 594 Ca 0.13 -0.97 -0.07 0.00 -1.41 0.00 0.00 60.65 58.32 1qhb s ILE 594 Cb -0.11 -1.87 0.01 0.00 0.13 0.00 0.00 42.46 40.62 1qhb s ILE 594 CO 0.03 0.58 0.10 -1.10 -1.91 0.00 0.00 174.94 172.63 1qhb s GLN 595 N -0.57 3.12 0.00 3.50 -0.21 -1.26 -1.15 119.66 123.09 1qhb s GLN 595 Ca 0.08 -0.84 0.13 0.00 0.02 0.00 0.00 55.36 54.76 1qhb s GLN 595 Cb -0.11 -3.42 0.11 0.00 1.00 0.00 0.00 33.01 30.59 1qhb s GLN 595 CO 0.00 -0.45 0.92 -0.89 -2.12 0.00 0.00 175.29 172.76