#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hql s VAL 5 N 0.00 0.54 -0.10 2.46 1.01 -0.82 -4.98 120.40 118.52 1hql s VAL 5 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 1hql s VAL 5 Cb 0.00 -0.50 0.08 0.00 0.00 0.00 0.00 36.38 35.97 1hql s VAL 5 CO 0.00 0.01 0.76 -0.94 0.00 0.00 0.00 175.10 174.93 1hql s SER 6 N -0.54 -0.60 0.08 3.32 1.04 -1.26 0.89 113.70 116.63 1hql s SER 6 Ca -0.00 0.72 -0.22 0.00 0.48 0.00 0.00 55.95 56.93 1hql s SER 6 Cb -0.04 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.70 1hql s SER 6 CO 0.00 -0.51 0.52 0.72 0.98 0.00 0.00 173.24 174.94 1hql s PHE 7 N -1.00 -0.41 -0.03 5.02 -0.12 0.50 -4.97 117.98 116.96 1hql s PHE 7 Ca -0.08 0.36 -0.00 0.00 -0.05 0.00 0.00 56.93 57.16 1hql s PHE 7 Cb -0.01 0.37 0.03 0.00 -0.63 0.00 0.00 43.02 42.78 1hql s PHE 7 CO 0.07 -0.69 0.03 0.99 -0.05 0.00 0.00 175.22 175.58 1hql s THR 8 N -2.88 -0.05 -0.41 -4.49 2.01 -1.26 -0.59 115.64 107.97 1hql s THR 8 Ca -0.03 0.26 0.03 0.00 0.31 0.00 0.00 61.69 62.26 1hql s THR 8 Cb -0.00 -0.11 0.11 0.00 0.01 0.00 0.00 72.50 72.51 1hql s THR 8 CO -0.05 0.12 0.15 -0.36 -0.69 0.00 0.00 174.62 173.79 1hql s PHE 9 N 1.35 3.02 0.41 4.92 0.40 0.26 -4.93 117.98 123.41 1hql s PHE 9 Ca -0.06 -2.80 0.36 0.00 -0.60 0.00 0.00 56.93 53.83 1hql s PHE 9 Cb -0.13 -2.57 1.79 0.00 0.51 0.00 0.00 43.02 42.62 1hql s PHE 9 CO -0.03 -0.85 2.16 -1.00 0.70 0.00 0.00 175.22 176.20 1hql h PRO 10 N 7.19 0.00 -2.34 0.24 0.13 -1.89 0.87 132.00 136.19 1hql h PRO 10 Ca -0.06 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 65.29 1hql h PRO 10 Cb 0.96 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.04 1hql h PRO 10 CO 0.56 0.04 0.68 0.54 -0.23 0.00 0.00 178.00 179.59 1hql s ASN 11 N -5.65 -0.01 -0.25 1.44 2.20 -1.25 -4.49 114.94 106.92 1hql s ASN 11 Ca -0.02 -0.50 0.10 0.00 -0.94 0.00 0.00 52.86 51.49 1hql s ASN 11 Cb 0.12 0.38 0.46 0.00 -2.00 0.00 0.00 41.25 40.21 1hql s ASN 11 CO 0.51 -0.76 1.33 0.49 -2.94 0.00 0.00 177.10 175.73 1hql n PHE 12 N -0.73 0.60 0.01 1.54 3.01 0.11 -4.70 117.46 117.30 1hql n PHE 12 Ca -0.02 -1.60 -0.05 0.00 1.01 0.00 0.00 57.45 56.80 1hql n PHE 12 Cb 0.59 -0.37 0.16 0.00 -0.01 0.00 0.00 39.48 39.85 1hql n PHE 12 CO 0.00 0.00 0.00 -1.49 1.01 0.00 0.00 176.76 176.28 1hql h TRP 13 N 1.06 0.58 -3.82 1.38 4.06 -1.93 -3.39 115.95 113.89 1hql h TRP 13 Ca 0.12 -0.15 -0.44 0.00 2.06 0.00 0.00 58.89 60.48 1hql h TRP 13 Cb 1.30 -0.13 0.17 0.00 -1.00 0.00 0.00 29.16 29.50 1hql h TRP 13 CO 0.90 0.78 0.22 -1.54 -3.56 0.00 0.00 178.44 175.23 1hql s SER 14 N -6.83 2.18 -1.19 -3.49 1.04 -1.26 -4.90 113.70 99.25 1hql s SER 14 Ca -0.07 0.81 -0.18 0.00 0.48 0.00 0.00 55.95 56.99 1hql s SER 14 Cb 0.13 -1.22 0.09 0.00 0.10 0.00 0.00 66.02 65.12 1hql s SER 14 CO 0.80 -3.36 1.56 -1.81 0.98 0.00 0.00 173.24 171.41 1hql s ASP 15 N -3.91 6.81 0.00 7.02 1.01 -1.26 -4.79 116.67 121.54 1hql s ASP 15 Ca 0.68 -2.34 0.00 0.00 0.71 0.00 0.00 52.55 51.61 1hql s ASP 15 Cb -0.13 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1hql s ASP 15 CO 0.56 -1.13 0.42 1.33 0.21 0.00 0.00 175.17 176.55 1hql n VAL 16 N 6.02 0.00 -0.13 -1.27 0.24 -1.26 -4.03 118.33 117.89 1hql n VAL 16 Ca 0.41 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.63 1hql n VAL 16 Cb 0.47 -0.36 0.01 0.00 -1.47 0.00 0.00 33.84 32.48 1hql n VAL 16 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1hql h GLU 17 N 0.21 0.52 -1.45 7.34 5.08 -1.86 -0.90 114.58 123.51 1hql h GLU 17 Ca 0.00 -0.03 -0.36 0.00 -1.00 0.00 0.00 59.36 57.97 1hql h GLU 17 Cb 0.35 -0.12 -0.16 0.00 0.50 0.00 0.00 28.75 29.33 1hql h GLU 17 CO 0.00 0.35 0.47 -0.25 -1.00 0.00 0.00 179.01 178.57 1hql n ASP 18 N -4.82 6.52 0.00 1.42 8.00 -1.26 -3.79 116.55 122.62 1hql n ASP 18 Ca 0.01 -3.14 0.00 0.00 0.71 0.00 0.00 54.79 52.37 1hql n ASP 18 Cb 0.03 -1.04 0.00 0.00 -0.02 0.00 0.00 41.12 40.09 1hql n ASP 18 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1hql n SER 19 N 0.19 0.00 -4.09 -2.24 7.64 -1.05 -5.04 113.62 109.04 1hql n SER 19 Ca 0.34 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.95 1hql n SER 19 Cb 0.60 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.64 1hql n SER 19 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1hql s ILE 20 N -0.13 1.37 -0.28 0.44 1.01 -0.37 -1.39 121.20 121.84 1hql s ILE 20 Ca 0.00 -0.64 -0.16 0.00 0.00 0.00 0.00 60.65 59.85 1hql s ILE 20 Cb 0.00 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 1hql s ILE 20 CO 0.00 0.40 0.44 -0.63 0.00 0.00 0.00 174.94 175.16 1hql s ILE 21 N 0.42 5.11 -0.18 2.92 1.01 0.20 -4.74 121.20 125.95 1hql s ILE 21 Ca -0.12 0.63 -0.16 0.00 0.00 0.00 0.00 60.65 61.01 1hql s ILE 21 Cb -0.15 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1hql s ILE 21 CO 0.04 0.07 0.38 -0.36 0.00 0.00 0.00 174.94 175.07 1hql s PHE 22 N 2.20 3.42 0.16 3.97 0.40 -1.26 -1.18 117.98 125.69 1hql s PHE 22 Ca 0.18 0.65 0.11 0.00 -0.60 0.00 0.00 56.93 57.27 1hql s PHE 22 Cb -0.16 -2.47 -0.04 0.00 0.51 0.00 0.00 43.02 40.86 1hql s PHE 22 CO 0.10 0.09 -0.24 -0.65 0.70 0.00 0.00 175.22 175.22 1hql s GLN 23 N 0.94 1.50 6.31 0.44 -0.21 0.47 -4.95 119.66 124.16 1hql s GLN 23 Ca 0.19 -1.41 0.00 0.00 0.02 0.00 0.00 55.36 54.16 1hql s GLN 23 Cb -0.14 -1.90 0.00 0.00 1.00 0.00 0.00 33.01 31.97 1hql s GLN 23 CO 0.07 0.43 0.00 0.41 -2.12 0.00 0.00 175.29 174.08 1hql n GLY 24 N 0.59 3.16 0.09 3.09 0.00 -1.26 -1.31 105.19 109.55 1hql n GLY 24 Ca -0.15 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 45.76 1hql n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hql n ASP 25 N 2.47 0.64 -4.47 1.61 9.92 0.21 -4.91 116.55 122.02 1hql n ASP 25 Ca 0.00 0.58 -0.45 0.00 -0.53 0.00 0.00 54.79 54.39 1hql n ASP 25 Cb 0.00 -0.74 -0.01 0.00 -0.64 0.00 0.00 41.12 39.72 1hql n ASP 25 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1hql n ALA 26 N -1.73 -1.67 -3.74 2.24 0.00 -0.10 -4.59 120.51 110.92 1hql n ALA 26 Ca 0.05 0.34 0.03 0.00 0.00 0.00 0.00 53.44 53.85 1hql n ALA 26 Cb 0.37 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1hql n ALA 26 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1hql s ASN 27 N -0.84 -0.02 0.10 0.00 3.84 -0.69 -4.67 114.94 112.66 1hql s ASN 27 Ca 0.62 -0.12 -0.08 0.00 0.21 0.00 0.00 52.86 53.49 1hql s ASN 27 Cb -0.76 0.12 -0.06 0.00 -0.55 0.00 0.00 41.25 40.00 1hql s ASN 27 CO 0.58 -0.22 0.39 0.42 -2.79 0.00 0.00 177.10 175.48 1hql s THR 28 N -2.19 5.13 -0.19 -5.21 -4.23 -1.26 -0.53 115.64 107.16 1hql s THR 28 Ca 0.20 0.29 -0.04 0.00 -1.18 0.00 0.00 61.69 60.96 1hql s THR 28 Cb 0.04 -3.63 0.08 0.00 1.34 0.00 0.00 72.50 70.33 1hql s THR 28 CO -0.03 0.20 0.17 -0.89 -0.54 0.00 0.00 174.62 173.52 1hql s THR 29 N -1.49 -0.23 -1.35 3.99 2.01 0.16 -4.83 115.64 113.90 1hql s THR 29 Ca 0.36 -0.14 -0.02 0.00 0.31 0.00 0.00 61.69 62.20 1hql s THR 29 Cb -0.13 -0.64 -0.00 0.00 0.01 0.00 0.00 72.50 71.74 1hql s THR 29 CO 0.20 -0.24 0.54 0.00 -0.69 0.00 0.00 174.62 174.43 1hql n ALA 30 N 5.30 -2.07 -0.90 7.40 0.00 -1.26 -1.58 120.51 127.39 1hql n ALA 30 Ca -0.06 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1hql n ALA 30 Cb 0.49 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1hql n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hql n GLY 31 N -1.83 0.71 3.41 0.00 0.00 -1.26 -4.94 105.19 101.27 1hql n GLY 31 Ca -0.29 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 1hql n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hql s THR 32 N -2.71 0.96 -0.22 2.61 -4.23 -0.62 -0.71 115.64 110.72 1hql s THR 32 Ca 0.00 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.41 1hql s THR 32 Cb 0.00 -2.73 -0.05 0.00 1.34 0.00 0.00 72.50 71.07 1hql s THR 32 CO 0.00 0.00 0.13 -0.76 -0.54 0.00 0.00 174.62 173.45 1hql s LEU 33 N -3.44 4.05 -0.25 4.79 1.43 0.20 0.39 118.68 125.85 1hql s LEU 33 Ca 0.36 0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.59 1hql s LEU 33 Cb 0.08 -2.06 0.04 0.00 0.03 0.00 0.00 46.19 44.27 1hql s LEU 33 CO 0.15 0.12 -0.07 -1.58 0.23 0.00 0.00 176.35 175.19 1hql s GLN 34 N 0.72 2.67 0.10 1.70 0.74 0.31 -1.20 119.66 124.70 1hql s GLN 34 Ca 0.07 -1.08 -0.10 0.00 0.05 0.00 0.00 55.36 54.30 1hql s GLN 34 Cb -0.13 -2.96 -0.17 0.00 1.10 0.00 0.00 33.01 30.86 1hql s GLN 34 CO 0.02 -0.45 1.24 -0.07 -0.55 0.00 0.00 175.29 175.48 1hql h LEU 35 N 7.96 0.75 -8.95 3.68 -0.00 -1.81 -1.83 115.31 115.11 1hql h LEU 35 Ca -0.30 -0.60 -0.69 0.00 -0.00 0.00 0.00 57.88 56.30 1hql h LEU 35 Cb 1.09 -0.23 -0.22 0.00 -0.00 0.00 0.00 40.66 41.30 1hql h LEU 35 CO 0.55 1.40 -0.80 0.00 -0.00 0.00 0.00 178.44 179.60 1hql s LYS 37 N -1.30 3.80 0.21 0.00 1.02 -1.26 -4.94 119.74 117.26 1hql s LYS 37 Ca 0.14 1.30 0.06 0.00 0.02 0.00 0.00 55.97 57.48 1hql s LYS 37 Cb -0.11 -2.10 -0.05 0.00 -0.52 0.00 0.00 37.83 35.06 1hql s LYS 37 CO 0.04 -0.42 -0.09 0.95 -0.92 0.00 0.00 175.35 174.91 1hql s THR 38 N -2.09 1.41 0.62 2.17 -4.23 -1.26 -1.29 115.64 110.97 1hql s THR 38 Ca 0.66 -2.12 -0.08 0.00 -1.18 0.00 0.00 61.69 58.97 1hql s THR 38 Cb -0.15 -2.12 0.14 0.00 1.34 0.00 0.00 72.50 71.71 1hql s THR 38 CO 0.22 -0.54 0.84 -0.46 -0.54 0.00 0.00 174.62 174.14 1hql n ASN 39 N -0.37 0.34 0.09 3.99 0.23 0.63 -4.88 115.26 115.30 1hql n ASN 39 Ca -0.08 -1.47 0.09 0.00 -0.53 0.00 0.00 54.58 52.59 1hql n ASN 39 Cb 0.62 -0.62 0.41 0.00 -2.08 0.00 0.00 39.78 38.11 1hql n ASN 39 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1hql n GLN 40 N -2.73 0.11 -0.20 -3.83 0.00 -1.26 -1.26 117.38 108.22 1hql n GLN 40 Ca 0.11 0.44 0.11 0.00 0.00 0.00 0.00 57.00 57.66 1hql n GLN 40 Cb 0.40 -1.76 0.26 0.00 0.00 0.00 0.00 30.24 29.14 1hql n GLN 40 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1hql n TYR 41 N -1.98 0.52 -1.00 2.61 4.02 -1.26 -4.93 117.16 115.14 1hql n TYR 41 Ca 0.01 -0.26 0.00 0.00 -0.01 0.00 0.00 57.90 57.65 1hql n TYR 41 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 1hql n TYR 41 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1hql n GLY 42 N 1.41 0.78 3.68 2.72 0.00 -0.39 -5.01 105.19 108.38 1hql n GLY 42 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1hql n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hql s THR 43 N -3.13 4.92 0.31 2.61 2.01 -1.26 -4.74 115.64 116.37 1hql s THR 43 Ca 0.00 1.56 -0.29 0.00 0.31 0.00 0.00 61.69 63.27 1hql s THR 43 Cb 0.00 -4.10 -0.10 0.00 0.01 0.00 0.00 72.50 68.30 1hql s THR 43 CO 0.00 0.08 1.34 -2.16 -0.69 0.00 0.00 174.62 173.19 1hql s PRO 44 N 1.87 4.33 0.60 4.92 0.04 -1.26 -0.27 135.00 145.23 1hql s PRO 44 Ca 0.37 2.24 -0.15 0.00 0.04 0.00 0.00 61.00 63.51 1hql s PRO 44 Cb -0.17 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 1hql s PRO 44 CO 0.14 -0.26 1.05 -0.51 0.04 0.00 0.00 177.00 177.45 1hql s LEU 45 N -1.38 3.44 0.55 -3.56 1.43 -0.41 -4.76 118.68 113.98 1hql s LEU 45 Ca 0.52 1.72 -0.13 0.00 -1.03 0.00 0.00 54.13 55.21 1hql s LEU 45 Cb -0.40 -4.52 -0.06 0.00 0.03 0.00 0.00 46.19 41.24 1hql s LEU 45 CO 0.50 -1.12 0.98 -1.10 0.23 0.00 0.00 176.35 175.84 1hql s GLN 46 N -4.30 3.76 -1.27 1.70 -0.21 -1.26 -4.37 119.66 113.70 1hql s GLN 46 Ca 0.61 0.79 -0.29 0.00 0.02 0.00 0.00 55.36 56.49 1hql s GLN 46 Cb -0.14 -2.14 0.04 0.00 1.00 0.00 0.00 33.01 31.76 1hql s GLN 46 CO 0.40 -0.38 0.58 0.91 -2.12 0.00 0.00 175.29 174.68 1hql n TRP 47 N -2.12 -1.38 -4.43 0.91 7.02 0.04 -4.94 117.44 112.55 1hql n TRP 47 Ca 0.06 0.16 -0.24 0.00 -1.02 0.00 0.00 57.50 56.46 1hql n TRP 47 Cb 0.54 -2.81 -0.09 0.00 -2.42 0.00 0.00 31.31 26.53 1hql n TRP 47 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1hql s SER 48 N -3.67 3.85 0.01 -0.99 0.01 -1.19 -4.89 113.70 106.82 1hql s SER 48 Ca 0.42 -0.94 -0.17 0.00 1.31 0.00 0.00 55.95 56.57 1hql s SER 48 Cb -0.23 -0.44 0.03 0.00 0.21 0.00 0.00 66.02 65.59 1hql s SER 48 CO 0.98 0.02 0.36 0.00 0.41 0.00 0.00 173.24 175.00 1hql s ALA 49 N -2.47 -0.89 -0.02 1.44 0.00 -1.26 -1.38 121.76 117.18 1hql s ALA 49 Ca 0.31 0.33 -0.30 0.00 0.00 0.00 0.00 51.96 52.30 1hql s ALA 49 Cb -0.05 0.19 0.07 0.00 0.00 0.00 0.00 23.12 23.33 1hql s ALA 49 CO 0.16 -0.35 0.68 0.20 0.00 0.00 0.00 175.76 176.46 1hql s GLY 50 N -1.64 -0.57 0.01 0.00 0.00 -0.74 -0.62 107.32 103.76 1hql s GLY 50 Ca -0.10 1.22 -0.04 0.00 0.00 0.00 0.00 44.72 45.81 1hql s GLY 50 CO 0.02 0.84 0.06 0.50 0.00 0.00 0.00 173.10 174.52 1hql s ARG 51 N -1.59 0.39 -0.24 2.90 0.52 -0.42 -2.07 118.95 118.45 1hql s ARG 51 Ca -0.09 -0.47 0.01 0.00 -0.52 0.00 0.00 55.73 54.67 1hql s ARG 51 Cb -0.00 0.16 0.06 0.00 0.52 0.00 0.00 34.95 35.69 1hql s ARG 51 CO 0.06 -0.08 -0.05 0.00 0.02 0.00 0.00 175.30 175.25 1hql s ALA 52 N -1.35 2.01 -0.04 2.13 0.00 -0.21 -0.40 121.76 123.89 1hql s ALA 52 Ca -0.15 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.41 1hql s ALA 52 Cb -0.08 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.54 1hql s ALA 52 CO 0.00 -1.22 -0.02 -0.51 0.00 0.00 0.00 175.76 174.02 1hql s LEU 53 N 1.37 3.44 0.22 0.00 1.02 -0.33 -1.54 118.68 122.86 1hql s LEU 53 Ca -0.05 0.02 -0.30 0.00 0.02 0.00 0.00 54.13 53.82 1hql s LEU 53 Cb -0.19 -1.88 -0.09 0.00 0.02 0.00 0.00 46.19 44.06 1hql s LEU 53 CO -0.07 0.32 1.15 -0.47 0.02 0.00 0.00 176.35 177.31 1hql s TYR 54 N -0.97 3.49 0.09 0.29 5.04 -0.44 0.63 117.35 125.48 1hql s TYR 54 Ca 0.16 1.56 -0.32 0.00 -2.44 0.00 0.00 57.07 56.02 1hql s TYR 54 Cb -0.11 -3.36 -0.16 0.00 0.35 0.00 0.00 41.96 38.68 1hql s TYR 54 CO 0.06 -0.88 1.61 0.77 -1.34 0.00 0.00 175.55 175.77 1hql h SER 55 N 4.61 -0.95 -3.56 4.32 0.02 -1.57 -3.42 113.55 113.00 1hql h SER 55 Ca -0.45 0.07 -0.53 0.00 -0.84 0.00 0.00 61.79 60.03 1hql h SER 55 Cb 1.21 0.30 0.08 0.00 0.14 0.00 0.00 62.40 64.13 1hql h SER 55 CO 0.71 -0.54 0.78 -1.81 -1.14 0.00 0.00 176.83 174.83 1hql s ASP 56 N -4.48 6.52 0.60 3.07 1.11 -1.26 -5.00 116.67 117.22 1hql s ASP 56 Ca -0.17 2.84 -0.11 0.00 0.18 0.00 0.00 52.55 55.29 1hql s ASP 56 Cb 0.05 -2.64 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 1hql s ASP 56 CO 0.62 -0.78 1.00 -2.16 1.18 0.00 0.00 175.17 175.04 1hql s PRO 57 N -1.00 3.63 -0.10 8.23 0.04 -1.26 -4.79 135.00 139.74 1hql s PRO 57 Ca 0.57 0.72 0.03 0.00 0.04 0.00 0.00 61.00 62.36 1hql s PRO 57 Cb -0.44 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.98 1hql s PRO 57 CO 0.50 -0.51 -0.19 0.08 0.04 0.00 0.00 177.00 176.93 1hql s VAL 58 N -3.08 2.52 -0.69 -0.36 1.01 0.83 -4.95 120.40 115.67 1hql s VAL 58 Ca 0.55 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 61.41 1hql s VAL 58 Cb -0.11 -2.00 0.04 0.00 0.00 0.00 0.00 36.38 34.31 1hql s VAL 58 CO 0.51 0.55 1.17 -1.10 0.00 0.00 0.00 175.10 176.23 1hql s GLN 59 N 0.22 3.21 0.05 2.72 1.11 -1.26 -1.40 119.66 124.30 1hql s GLN 59 Ca -0.12 -0.35 -0.19 0.00 0.01 0.00 0.00 55.36 54.71 1hql s GLN 59 Cb -0.16 -4.17 -0.13 0.00 -1.01 0.00 0.00 33.01 27.54 1hql s GLN 59 CO 0.07 -1.98 1.36 1.25 0.01 0.00 0.00 175.29 176.00 1hql h LEU 60 N 12.38 0.43 -8.11 2.90 6.46 -0.93 -3.43 115.31 125.02 1hql h LEU 60 Ca -0.28 -0.47 -0.07 0.00 -0.12 0.00 0.00 57.88 56.94 1hql h LEU 60 Cb 1.06 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.85 1hql h LEU 60 CO 1.24 0.81 0.18 -1.66 -0.62 0.00 0.00 178.44 178.38 1hql s TRP 61 N -4.35 0.31 -0.02 1.25 1.48 -1.20 -0.42 118.94 115.99 1hql s TRP 61 Ca -0.14 -0.89 0.05 0.00 -1.06 0.00 0.00 56.10 54.06 1hql s TRP 61 Cb 0.06 0.65 -0.01 0.00 -1.16 0.00 0.00 33.47 33.00 1hql s TRP 61 CO 0.76 -1.48 -0.18 -0.51 -4.06 0.00 0.00 176.95 171.48 1hql s ASP 62 N -3.10 2.20 -0.16 -2.66 1.01 -0.49 -4.78 116.67 108.69 1hql s ASP 62 Ca 0.18 -0.35 -0.23 0.00 0.71 0.00 0.00 52.55 52.87 1hql s ASP 62 Cb -0.04 -0.37 -0.21 0.00 1.01 0.00 0.00 42.92 43.31 1hql s ASP 62 CO 0.13 0.21 0.49 -1.13 0.21 0.00 0.00 175.17 175.08 1hql h ASN 63 N 5.87 0.00 0.00 0.27 -0.00 -1.94 0.17 115.58 119.95 1hql h ASN 63 Ca -0.36 -0.72 0.00 0.00 -0.00 0.00 0.00 56.30 55.23 1hql h ASN 63 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.47 1hql h ASN 63 CO 0.48 1.10 0.00 0.29 -0.00 0.00 0.00 177.43 179.30 1hql n LYS 64 N -4.57 0.57 0.00 6.67 5.02 -1.26 -2.65 118.16 121.94 1hql n LYS 64 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1hql n LYS 64 Cb 0.49 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 1hql n LYS 64 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1hql n THR 65 N -0.79 0.00 -0.58 -0.18 -1.04 -1.25 -5.00 114.28 105.44 1hql n THR 65 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1hql n THR 65 Cb 0.04 0.16 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 1hql n THR 65 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1hql n GLU 66 N -0.62 0.00 -2.45 -2.82 1.02 0.61 -4.92 120.64 111.46 1hql n GLU 66 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1hql n GLU 66 Cb 0.01 -4.13 -0.03 0.00 -0.02 0.00 0.00 31.44 27.27 1hql n GLU 66 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1hql s SER 67 N -2.19 7.13 0.01 1.62 1.04 -1.23 -4.82 113.70 115.27 1hql s SER 67 Ca 0.00 2.02 0.00 0.00 0.48 0.00 0.00 55.95 58.46 1hql s SER 67 Cb 0.00 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 1hql s SER 67 CO 0.00 -0.40 0.08 -0.69 0.98 0.00 0.00 173.24 173.20 1hql s VAL 68 N 0.73 4.67 0.42 5.02 1.01 -1.26 -1.39 120.40 129.59 1hql s VAL 68 Ca 0.56 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.99 1hql s VAL 68 Cb -0.29 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 1hql s VAL 68 CO 0.31 0.30 0.73 0.00 0.00 0.00 0.00 175.10 176.44 1hql s ALA 69 N -1.23 3.44 0.12 5.51 0.00 0.45 -4.45 121.76 125.59 1hql s ALA 69 Ca 0.24 -0.46 0.07 0.00 0.00 0.00 0.00 51.96 51.80 1hql s ALA 69 Cb -0.12 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 1hql s ALA 69 CO 0.15 -0.14 -0.05 -1.12 0.00 0.00 0.00 175.76 174.60 1hql s SER 70 N -3.70 4.64 0.18 0.00 0.01 -0.10 -3.31 113.70 111.41 1hql s SER 70 Ca 0.47 -0.33 -0.13 0.00 1.31 0.00 0.00 55.95 57.27 1hql s SER 70 Cb -0.10 -0.97 0.01 0.00 0.21 0.00 0.00 66.02 65.17 1hql s SER 70 CO 0.38 0.16 0.40 0.72 0.41 0.00 0.00 173.24 175.31 1hql s PHE 71 N -1.35 0.16 -0.05 2.43 -0.12 -0.78 -0.54 117.98 117.73 1hql s PHE 71 Ca 0.24 -0.52 -0.08 0.00 -0.05 0.00 0.00 56.93 56.52 1hql s PHE 71 Cb -0.11 0.15 0.02 0.00 -0.63 0.00 0.00 43.02 42.45 1hql s PHE 71 CO 0.16 -0.82 0.20 -0.47 -0.05 0.00 0.00 175.22 174.25 1hql s TYR 72 N -3.93 -0.16 0.01 3.49 5.04 -0.32 -1.05 117.35 120.44 1hql s TYR 72 Ca 0.14 0.36 -0.04 0.00 -2.44 0.00 0.00 57.07 55.08 1hql s TYR 72 Cb 0.01 0.05 -0.01 0.00 0.35 0.00 0.00 41.96 42.36 1hql s TYR 72 CO -0.01 -0.19 0.07 -0.08 -1.34 0.00 0.00 175.55 174.01 1hql s THR 73 N -0.42 0.09 -0.06 4.34 -1.32 -0.17 -1.54 115.64 116.56 1hql s THR 73 Ca -0.05 -0.77 -0.04 0.00 -1.21 0.00 0.00 61.69 59.61 1hql s THR 73 Cb -0.03 -0.36 0.02 0.00 -1.51 0.00 0.00 72.50 70.61 1hql s THR 73 CO 0.01 -0.42 0.15 -0.70 -2.21 0.00 0.00 174.62 171.45 1hql s GLU 74 N -1.41 0.15 0.01 7.08 2.12 -0.73 -1.46 118.70 124.47 1hql s GLU 74 Ca -0.15 0.26 -0.23 0.00 0.36 0.00 0.00 54.97 55.21 1hql s GLU 74 Cb -0.08 0.01 0.05 0.00 0.26 0.00 0.00 34.13 34.36 1hql s GLU 74 CO 0.01 -0.06 0.52 -0.59 -0.54 0.00 0.00 175.26 174.59 1hql s PHE 75 N 0.41 -0.43 0.05 5.30 -0.12 -0.42 -1.21 117.98 121.55 1hql s PHE 75 Ca -0.03 0.59 0.05 0.00 -0.05 0.00 0.00 56.93 57.49 1hql s PHE 75 Cb -0.04 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.63 1hql s PHE 75 CO -0.02 -0.59 -0.08 0.95 -0.05 0.00 0.00 175.22 175.43 1hql s THR 76 N -1.97 3.54 0.06 -4.49 -4.23 -0.94 -0.17 115.64 107.44 1hql s THR 76 Ca -0.08 -0.99 -0.08 0.00 -1.18 0.00 0.00 61.69 59.36 1hql s THR 76 Cb -0.01 -2.59 -0.00 0.00 1.34 0.00 0.00 72.50 71.24 1hql s THR 76 CO 0.02 0.27 0.17 0.72 -0.54 0.00 0.00 174.62 175.26 1hql s PHE 77 N -1.10 0.12 -0.05 3.99 -0.12 -0.42 -1.36 117.98 119.05 1hql s PHE 77 Ca 0.19 -0.43 0.04 0.00 -0.05 0.00 0.00 56.93 56.68 1hql s PHE 77 Cb -0.11 -0.07 -0.00 0.00 -0.63 0.00 0.00 43.02 42.21 1hql s PHE 77 CO 0.11 -0.46 -0.17 0.12 -0.05 0.00 0.00 175.22 174.77 1hql s PHE 78 N -3.05 1.77 -0.49 3.49 5.36 0.16 -1.02 117.98 124.20 1hql s PHE 78 Ca -0.01 -0.54 -0.14 0.00 -0.96 0.00 0.00 56.93 55.27 1hql s PHE 78 Cb 0.01 -1.20 0.10 0.00 -0.34 0.00 0.00 43.02 41.59 1hql s PHE 78 CO -0.07 -0.20 0.42 -0.51 -1.46 0.00 0.00 175.22 173.40 1hql s LEU 79 N 0.12 5.81 -0.70 6.12 1.43 -1.26 -2.13 118.68 128.07 1hql s LEU 79 Ca -0.06 -1.61 -0.27 0.00 -1.03 0.00 0.00 54.13 51.16 1hql s LEU 79 Cb -0.13 -2.15 0.03 0.00 0.03 0.00 0.00 46.19 43.98 1hql s LEU 79 CO 0.03 -0.73 1.23 -0.75 0.23 0.00 0.00 176.35 176.36 1hql s LYS 80 N 1.56 3.23 -0.14 1.70 2.20 -0.71 -4.75 119.74 122.83 1hql s LYS 80 Ca 0.04 -0.23 -0.03 0.00 -0.36 0.00 0.00 55.97 55.39 1hql s LYS 80 Cb -0.27 -4.16 -0.03 0.00 -1.51 0.00 0.00 37.83 31.87 1hql s LYS 80 CO 0.04 -2.03 -0.05 0.42 -0.36 0.00 0.00 175.35 173.36 1hql s ILE 81 N 5.41 3.77 -0.07 5.43 1.01 -1.26 -1.55 121.20 133.94 1hql s ILE 81 Ca 0.35 -0.41 0.10 0.00 0.00 0.00 0.00 60.65 60.69 1hql s ILE 81 Cb -0.09 -2.63 0.15 0.00 0.01 0.00 0.00 42.46 39.90 1hql s ILE 81 CO 0.16 0.51 1.04 0.35 0.00 0.00 0.00 174.94 177.01 1hql n THR 82 N 3.33 1.19 -3.61 2.92 -2.24 -0.54 -5.02 114.28 110.31 1hql n THR 82 Ca -0.18 -1.39 -0.07 0.00 -2.27 0.00 0.00 64.05 60.14 1hql n THR 82 Cb 0.53 0.15 0.01 0.00 -2.10 0.00 0.00 70.33 68.92 1hql n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hql n GLY 83 N -0.86 1.55 0.71 3.38 0.00 -1.26 -4.95 105.19 103.77 1hql n GLY 83 Ca 0.08 -1.25 0.13 0.00 0.00 0.00 0.00 46.02 44.98 1hql n GLY 83 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1hql n ASN 84 N -1.45 2.21 -2.77 1.61 6.94 -1.26 -4.49 115.26 116.05 1hql n ASN 84 Ca -0.05 -1.74 -0.20 0.00 -0.02 0.00 0.00 54.58 52.58 1hql n ASN 84 Cb 0.40 -0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.81 1hql n ASN 84 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1hql n GLY 85 N 1.26 4.17 3.73 4.83 0.00 -1.26 -5.10 105.19 112.82 1hql n GLY 85 Ca 0.17 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 1hql n GLY 85 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hql n PRO 86 N -0.16 2.62 -3.57 1.61 -0.04 -1.26 -4.69 135.00 129.50 1hql n PRO 86 Ca 0.26 0.93 -0.16 0.00 -0.04 0.00 0.00 63.50 64.49 1hql n PRO 86 Cb 0.65 -2.71 -0.06 0.00 -0.04 0.00 0.00 33.50 31.33 1hql n PRO 86 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1hql s ALA 87 N 0.21 -1.48 -0.64 0.55 0.00 -1.26 -4.31 121.76 114.83 1hql s ALA 87 Ca 0.67 0.93 0.14 0.00 0.00 0.00 0.00 51.96 53.71 1hql s ALA 87 Cb -0.52 0.14 -0.16 0.00 0.00 0.00 0.00 23.12 22.57 1hql s ALA 87 CO 0.46 -0.40 0.60 -0.25 0.00 0.00 0.00 175.76 176.17 1hql n ASP 88 N 0.81 0.74 0.00 0.00 8.00 0.09 -4.40 116.55 121.79 1hql n ASP 88 Ca -0.19 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.52 1hql n ASP 88 Cb 0.58 1.04 0.00 0.00 -0.02 0.00 0.00 41.12 42.72 1hql n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hql n GLY 89 N 1.36 0.40 3.56 0.44 0.00 -1.25 -2.30 105.19 107.40 1hql n GLY 89 Ca 0.02 -2.06 -0.12 0.00 0.00 0.00 0.00 46.02 43.86 1hql n GLY 89 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1hql s LEU 90 N 0.00 0.68 -0.06 0.99 2.34 -0.97 -3.41 118.68 118.24 1hql s LEU 90 Ca 0.00 -1.29 -0.30 0.00 0.06 0.00 0.00 54.13 52.61 1hql s LEU 90 Cb 0.00 1.74 0.09 0.00 -0.56 0.00 0.00 46.19 47.46 1hql s LEU 90 CO 0.00 -1.31 0.81 0.00 -1.06 0.00 0.00 176.35 174.79 1hql s ALA 91 N -3.20 -1.82 -0.04 1.48 0.00 -0.16 -0.80 121.76 117.22 1hql s ALA 91 Ca 0.26 1.28 -0.03 0.00 0.00 0.00 0.00 51.96 53.48 1hql s ALA 91 Cb -0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1hql s ALA 91 CO 0.16 -0.43 0.11 0.12 0.00 0.00 0.00 175.76 175.71 1hql s PHE 92 N -1.70 3.41 0.20 0.00 5.36 -0.48 -0.28 117.98 124.48 1hql s PHE 92 Ca -0.04 0.32 -0.18 0.00 -0.96 0.00 0.00 56.93 56.07 1hql s PHE 92 Cb -0.00 -1.81 0.03 0.00 -0.34 0.00 0.00 43.02 40.89 1hql s PHE 92 CO 0.02 0.61 0.53 -0.59 -1.46 0.00 0.00 175.22 174.33 1hql s PHE 93 N -1.15 -0.12 -0.03 10.12 -0.12 -0.11 -1.18 117.98 125.38 1hql s PHE 93 Ca 0.21 -0.22 0.05 0.00 -0.05 0.00 0.00 56.93 56.92 1hql s PHE 93 Cb -0.12 0.40 -0.01 0.00 -0.63 0.00 0.00 43.02 42.66 1hql s PHE 93 CO 0.11 -0.92 -0.17 -0.51 -0.05 0.00 0.00 175.22 173.68 1hql s LEU 94 N -2.87 1.96 0.22 -1.99 1.02 -0.04 -0.97 118.68 116.00 1hql s LEU 94 Ca 0.09 -0.33 -0.22 0.00 0.02 0.00 0.00 54.13 53.69 1hql s LEU 94 Cb -0.01 -0.93 0.05 0.00 0.02 0.00 0.00 46.19 45.32 1hql s LEU 94 CO -0.03 0.17 0.65 0.00 0.02 0.00 0.00 176.35 177.17 1hql s ALA 95 N -0.14 -1.39 0.52 4.21 0.00 -0.65 -2.04 121.76 122.27 1hql s ALA 95 Ca 0.00 0.09 -0.21 0.00 0.00 0.00 0.00 51.96 51.85 1hql s ALA 95 Cb -0.09 0.87 -0.08 0.00 0.00 0.00 0.00 23.12 23.82 1hql s ALA 95 CO 0.01 -0.89 0.88 -2.30 0.00 0.00 0.00 175.76 173.45 1hql n PRO 96 N -0.41 0.98 0.01 0.00 -0.02 -1.26 -0.13 135.00 134.16 1hql n PRO 96 Ca -0.11 0.36 0.23 0.00 -2.02 0.00 0.00 63.50 61.96 1hql n PRO 96 Cb 0.62 -2.00 0.73 0.00 -0.02 0.00 0.00 33.50 32.82 1hql n PRO 96 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1hql h PRO 97 N 0.84 0.00 -0.65 0.52 0.11 -1.85 -0.47 132.00 130.51 1hql h PRO 97 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1hql h PRO 97 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1hql h PRO 97 CO 0.52 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.91 1hql n ASP 98 N -3.92 4.53 -4.72 -2.05 3.85 -1.26 -4.95 116.55 108.04 1hql n ASP 98 Ca 0.11 -2.46 -0.42 0.00 -0.71 0.00 0.00 54.79 51.31 1hql n ASP 98 Cb 0.73 -0.57 -0.03 0.00 -1.35 0.00 0.00 41.12 39.89 1hql n ASP 98 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1hql s SER 99 N -0.84 7.12 0.38 -1.12 0.15 -0.18 -5.04 113.70 114.17 1hql s SER 99 Ca 0.48 2.03 0.08 0.00 0.70 0.00 0.00 55.95 59.24 1hql s SER 99 Cb 0.31 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.99 1hql s SER 99 CO 0.22 -0.41 0.18 -0.62 1.20 0.00 0.00 173.24 173.80 1hql s ASP 100 N 0.79 4.58 0.33 5.45 -1.08 -1.26 -5.01 116.67 120.46 1hql s ASP 100 Ca 0.56 -0.92 -0.28 0.00 -0.52 0.00 0.00 52.55 51.40 1hql s ASP 100 Cb -0.29 -0.59 -0.13 0.00 -1.46 0.00 0.00 42.92 40.45 1hql s ASP 100 CO 0.31 -0.44 1.16 0.55 0.52 0.00 0.00 175.17 177.27 1hql n VAL 101 N -1.22 2.06 -0.68 1.11 3.14 -1.26 -4.99 118.33 116.49 1hql n VAL 101 Ca -0.02 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.86 1hql n VAL 101 Cb 0.63 -1.32 0.00 0.00 -1.06 0.00 0.00 33.84 32.09 1hql n VAL 101 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1hql n LYS 102 N 0.55 3.50 -2.15 1.45 4.76 -0.52 -5.01 118.16 120.75 1hql n LYS 102 Ca 0.07 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.17 1hql n LYS 102 Cb 0.35 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.55 1hql n LYS 102 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1hql s ASP 103 N -0.29 5.62 0.00 4.39 1.11 -0.71 -4.67 116.67 122.11 1hql s ASP 103 Ca 0.00 2.11 0.00 0.00 0.18 0.00 0.00 52.55 54.84 1hql s ASP 103 Cb 0.00 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.42 1hql s ASP 103 CO 0.00 -1.29 0.00 0.00 1.18 0.00 0.00 175.17 175.06 1hql n ALA 104 N -1.57 0.00 -0.96 5.23 0.00 -1.26 -0.60 120.51 121.35 1hql n ALA 104 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1hql n ALA 104 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1hql n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hql n GLY 105 N 5.00 2.55 0.06 0.00 0.00 -0.41 -2.55 105.19 109.84 1hql n GLY 105 Ca 0.00 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.64 1hql n GLY 105 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1hql n GLU 106 N 11.41 0.05 0.00 1.61 0.00 -1.26 -1.96 120.64 130.50 1hql n GLU 106 Ca 0.00 0.54 0.14 0.00 0.00 0.00 0.00 57.16 57.85 1hql n GLU 106 Cb 0.00 -1.67 0.66 0.00 0.00 0.00 0.00 31.44 30.42 1hql n GLU 106 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1hql n TYR 107 N -1.79 0.00 -1.51 -1.84 4.02 -1.06 -4.91 117.16 110.07 1hql n TYR 107 Ca -0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.75 1hql n TYR 107 Cb 0.02 -0.12 -0.05 0.00 -0.02 0.00 0.00 39.34 39.16 1hql n TYR 107 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1hql n LEU 108 N -0.80 -0.99 0.00 7.72 4.77 -0.83 -0.30 117.00 126.58 1hql n LEU 108 Ca 0.17 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1hql n LEU 108 Cb 0.26 -2.01 0.00 0.00 -2.33 0.00 0.00 43.42 39.33 1hql n LEU 108 CO 0.22 -0.62 0.00 0.61 -1.33 0.00 0.00 177.39 176.27 1hql n GLY 109 N -0.31 0.44 0.11 -0.72 0.00 0.23 -3.85 105.19 101.08 1hql n GLY 109 Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 1hql n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hql n LEU 110 N 0.00 1.10 -4.45 0.99 4.77 0.59 -1.44 117.00 118.56 1hql n LEU 110 Ca 0.00 -0.04 -0.22 0.00 -0.03 0.00 0.00 56.01 55.72 1hql n LEU 110 Cb 0.10 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.06 1hql n LEU 110 CO 0.00 0.66 -0.27 -0.36 -1.33 0.00 0.00 177.39 176.09 1hql s PHE 111 N -2.50 1.98 0.14 -1.77 0.40 -1.19 -4.77 117.98 110.27 1hql s PHE 111 Ca -0.19 -0.95 0.01 0.00 -0.60 0.00 0.00 56.93 55.20 1hql s PHE 111 Cb 0.07 -1.29 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 1hql s PHE 111 CO 0.75 0.02 0.29 -0.80 0.70 0.00 0.00 175.22 176.18 1hql s ASN 112 N -3.49 6.36 0.27 1.36 0.01 -1.26 -1.74 114.94 116.44 1hql s ASN 112 Ca 0.36 0.26 -0.01 0.00 -0.71 0.00 0.00 52.86 52.77 1hql s ASN 112 Cb 0.09 -1.95 0.49 0.00 0.41 0.00 0.00 41.25 40.29 1hql s ASN 112 CO 0.15 0.06 1.82 0.11 -1.51 0.00 0.00 177.10 177.73 1hql h LYS 113 N 2.37 0.86 0.00 -0.60 1.57 -1.97 0.11 116.57 118.91 1hql h LYS 113 Ca -0.47 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.20 1hql h LYS 113 Cb 1.18 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1hql h LYS 113 CO 0.70 0.57 -0.27 0.66 -0.57 0.00 0.00 179.45 180.55 1hql h SER 114 N 0.89 0.00 0.00 0.86 4.64 -2.05 -3.36 113.55 114.52 1hql h SER 114 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1hql h SER 114 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1hql h SER 114 CO -0.27 0.27 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 1hql n THR 115 N -3.26 0.39 -0.10 2.95 -2.24 -1.03 -4.78 114.28 106.20 1hql n THR 115 Ca 0.02 -0.53 0.25 0.00 -2.27 0.00 0.00 64.05 61.51 1hql n THR 115 Cb 0.55 0.94 0.70 0.00 -2.10 0.00 0.00 70.33 70.42 1hql n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hql h ALA 116 N 0.00 2.68 -0.52 6.98 0.00 -0.94 0.24 119.26 127.69 1hql h ALA 116 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1hql h ALA 116 Cb 0.45 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1hql h ALA 116 CO 0.00 -0.89 0.00 0.25 0.00 0.00 0.00 179.25 178.61 1hql n THR 117 N -4.32 2.06 -3.88 0.00 -2.24 -1.26 -1.37 114.28 103.26 1hql n THR 117 Ca 0.15 -1.37 -0.29 0.00 -2.27 0.00 0.00 64.05 60.27 1hql n THR 117 Cb 0.80 -0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.90 1hql n THR 117 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1hql s GLN 118 N -2.17 1.92 0.29 -0.78 -0.21 0.07 -5.00 119.66 113.79 1hql s GLN 118 Ca 0.47 -2.65 0.02 0.00 0.02 0.00 0.00 55.36 53.22 1hql s GLN 118 Cb 0.33 -3.10 0.70 0.00 1.00 0.00 0.00 33.01 31.94 1hql s GLN 118 CO 0.19 -1.17 1.66 -1.35 -2.12 0.00 0.00 175.29 172.50 1hql h PRO 119 N 6.28 0.25 0.00 2.91 0.11 -1.78 0.10 132.00 139.87 1hql h PRO 119 Ca -0.01 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1hql h PRO 119 Cb 0.87 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1hql h PRO 119 CO 0.65 0.17 0.00 0.66 -0.21 0.00 0.00 178.00 179.26 1hql h SER 120 N 0.26 0.00 -0.61 -2.05 4.64 -1.94 -1.31 113.55 112.54 1hql h SER 120 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1hql h SER 120 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1hql h SER 120 CO -0.61 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 175.64 1hql n LYS 121 N -2.45 3.07 -4.30 4.77 5.02 0.35 -4.99 118.16 119.64 1hql n LYS 121 Ca -0.01 -2.62 -0.16 0.00 -2.02 0.00 0.00 58.31 53.50 1hql n LYS 121 Cb 0.08 -1.62 -0.10 0.00 -0.02 0.00 0.00 35.03 33.38 1hql n LYS 121 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1hql s ASN 122 N -1.02 1.87 -0.40 4.39 0.01 -0.49 -5.04 114.94 114.25 1hql s ASN 122 Ca 0.44 -1.12 0.06 0.00 -0.71 0.00 0.00 52.86 51.54 1hql s ASN 122 Cb 0.25 -0.01 0.22 0.00 0.41 0.00 0.00 41.25 42.12 1hql s ASN 122 CO 0.26 -0.41 0.45 0.00 -1.51 0.00 0.00 177.10 175.89 1hql n GLN 123 N -0.32 0.53 -3.64 -0.60 6.02 -1.26 -4.92 117.38 113.18 1hql n GLN 123 Ca -0.07 -3.21 -0.11 0.00 -0.01 0.00 0.00 57.00 53.59 1hql n GLN 123 Cb 0.62 -1.39 -0.07 0.00 1.02 0.00 0.00 30.24 30.42 1hql n GLN 123 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1hql s VAL 124 N -0.73 -0.00 -0.07 5.09 0.11 -1.26 -4.21 120.40 119.33 1hql s VAL 124 Ca 0.34 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.45 1hql s VAL 124 Cb 0.12 -0.97 -0.01 0.00 -1.53 0.00 0.00 36.38 34.00 1hql s VAL 124 CO -0.14 0.00 -0.23 -0.69 -3.33 0.00 0.00 175.10 170.70 1hql s VAL 125 N 0.94 1.96 0.13 2.04 1.01 -0.87 -0.62 120.40 125.00 1hql s VAL 125 Ca -0.05 -1.00 -0.15 0.00 0.00 0.00 0.00 61.98 60.79 1hql s VAL 125 Cb -0.05 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.68 1hql s VAL 125 CO -0.08 0.54 0.38 0.00 0.00 0.00 0.00 175.10 175.94 1hql s ALA 126 N 0.05 -0.74 -0.21 5.51 0.00 -0.16 -0.87 121.76 125.35 1hql s ALA 126 Ca -0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 51.96 51.62 1hql s ALA 126 Cb -0.15 0.70 0.01 0.00 0.00 0.00 0.00 23.12 23.68 1hql s ALA 126 CO 0.05 -0.65 -0.10 0.08 0.00 0.00 0.00 175.76 175.15 1hql s VAL 127 N -3.84 2.84 0.13 0.00 1.01 -0.32 0.35 120.40 120.57 1hql s VAL 127 Ca 0.05 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1hql s VAL 127 Cb 0.02 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1hql s VAL 127 CO -0.09 0.42 0.13 -1.83 0.00 0.00 0.00 175.10 173.73 1hql s GLU 128 N 1.39 2.96 -0.46 2.72 -1.05 0.14 -1.38 118.70 123.01 1hql s GLU 128 Ca 0.05 -0.77 0.03 0.00 -0.15 0.00 0.00 54.97 54.12 1hql s GLU 128 Cb -0.14 -2.71 0.13 0.00 -0.44 0.00 0.00 34.13 30.97 1hql s GLU 128 CO -0.07 0.52 0.25 -0.06 0.95 0.00 0.00 175.26 176.85 1hql s PHE 129 N -1.62 2.32 -0.43 4.83 0.40 0.02 -1.28 117.98 122.22 1hql s PHE 129 Ca 0.31 -2.64 -0.22 0.00 -0.60 0.00 0.00 56.93 53.77 1hql s PHE 129 Cb -0.11 -2.15 0.02 0.00 0.51 0.00 0.00 43.02 41.30 1hql s PHE 129 CO 0.23 -0.77 0.75 0.34 0.70 0.00 0.00 175.22 176.47 1hql s ASP 130 N 0.15 6.41 0.00 1.36 -1.08 0.70 -2.30 116.67 121.91 1hql s ASP 130 Ca 0.18 -0.09 0.17 0.00 -0.52 0.00 0.00 52.55 52.28 1hql s ASP 130 Cb -0.24 -2.37 0.48 0.00 -1.46 0.00 0.00 42.92 39.33 1hql s ASP 130 CO -0.00 -0.85 1.39 0.35 0.52 0.00 0.00 175.17 176.58 1hql n THR 131 N 6.01 0.62 -3.67 1.71 -2.24 -0.97 -1.06 114.28 114.67 1hql n THR 131 Ca 0.01 -0.65 -0.12 0.00 -2.27 0.00 0.00 64.05 61.02 1hql n THR 131 Cb 0.48 0.39 -0.12 0.00 -2.10 0.00 0.00 70.33 68.98 1hql n THR 131 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1hql s TRP 132 N -1.38 -0.54 -0.14 4.78 -0.11 -1.26 -4.71 118.94 115.59 1hql s TRP 132 Ca 0.34 1.14 -0.29 0.00 1.22 0.00 0.00 56.10 58.51 1hql s TRP 132 Cb 0.18 0.10 -0.01 0.00 -1.50 0.00 0.00 33.47 32.24 1hql s TRP 132 CO 0.24 -0.37 1.12 0.99 -4.62 0.00 0.00 176.95 174.30 1hql s THR 133 N 2.22 4.52 -0.13 5.86 2.01 -1.26 -5.02 115.64 123.84 1hql s THR 133 Ca -0.02 1.83 -0.06 0.00 0.31 0.00 0.00 61.69 63.75 1hql s THR 133 Cb -0.11 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 1hql s THR 133 CO -0.10 -0.08 0.08 0.20 -0.69 0.00 0.00 174.62 174.03 1hql s ASN 134 N 1.40 5.90 0.13 3.53 -0.87 -1.26 -5.00 114.94 118.77 1hql s ASN 134 Ca 0.50 0.28 0.24 0.00 -1.57 0.00 0.00 52.86 52.32 1hql s ASN 134 Cb -0.20 -1.88 0.37 0.00 -0.02 0.00 0.00 41.25 39.52 1hql s ASN 134 CO 0.15 0.34 1.35 -0.81 -2.57 0.00 0.00 177.10 175.55 1hql n PRO 135 N 2.46 0.30 0.17 -0.60 -0.04 -1.26 -4.11 135.00 131.91 1hql n PRO 135 Ca -0.19 0.10 0.11 0.00 -0.04 0.00 0.00 63.50 63.48 1hql n PRO 135 Cb 0.54 -1.70 0.63 0.00 -0.04 0.00 0.00 33.50 32.93 1hql n PRO 135 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1hql h ASN 136 N 0.00 0.04 -5.26 3.54 4.21 -2.02 -3.44 115.58 112.66 1hql h ASN 136 Ca 0.00 -0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.41 1hql h ASN 136 Cb 0.75 -0.01 -0.13 0.00 -1.12 0.00 0.00 38.32 37.81 1hql h ASN 136 CO 0.00 0.03 -0.33 0.72 -1.29 0.00 0.00 177.43 176.56 1hql s PHE 137 N -5.10 0.38 0.16 1.19 -0.12 -1.26 -5.14 117.98 108.11 1hql s PHE 137 Ca -0.05 -0.75 -0.31 0.00 -0.05 0.00 0.00 56.93 55.76 1hql s PHE 137 Cb 0.18 -0.06 -0.10 0.00 -0.63 0.00 0.00 43.02 42.41 1hql s PHE 137 CO 0.69 -0.70 1.51 -2.14 -0.05 0.00 0.00 175.22 174.53 1hql s PRO 138 N -3.96 4.24 -0.19 1.99 0.02 -1.26 -4.81 135.00 131.03 1hql s PRO 138 Ca 0.16 2.29 -0.33 0.00 0.02 0.00 0.00 61.00 63.14 1hql s PRO 138 Cb 0.03 -3.17 0.14 0.00 0.02 0.00 0.00 34.50 31.53 1hql s PRO 138 CO -0.01 -0.55 1.18 -1.83 -0.33 0.00 0.00 177.00 175.46 1hql s GLU 139 N 0.95 0.35 0.27 5.54 -1.05 -1.26 -4.73 118.70 118.77 1hql s GLU 139 Ca 0.68 -0.07 -0.27 0.00 -0.15 0.00 0.00 54.97 55.15 1hql s GLU 139 Cb -0.42 0.16 -0.15 0.00 -0.44 0.00 0.00 34.13 33.28 1hql s GLU 139 CO 0.32 -0.14 0.78 -2.30 0.95 0.00 0.00 175.26 174.88 1hql n PRO 140 N 0.12 0.79 0.00 -4.83 -0.02 -1.26 -4.84 135.00 124.96 1hql n PRO 140 Ca -0.02 0.28 0.11 0.00 -2.02 0.00 0.00 63.50 61.85 1hql n PRO 140 Cb 0.59 -1.51 0.68 0.00 -0.02 0.00 0.00 33.50 33.24 1hql n PRO 140 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1hql n SER 141 N 1.50 0.00 -4.42 2.55 3.41 -1.26 -4.67 113.62 110.73 1hql n SER 141 Ca 0.13 -1.06 -0.21 0.00 -0.26 0.00 0.00 58.87 57.46 1hql n SER 141 Cb 0.30 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.15 1hql n SER 141 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1hql s TYR 142 N -2.00 1.94 0.53 7.33 -0.85 -1.26 -4.85 117.35 118.19 1hql s TYR 142 Ca 0.34 -0.63 -0.21 0.00 -0.52 0.00 0.00 57.07 56.05 1hql s TYR 142 Cb 0.16 -1.03 -0.07 0.00 0.38 0.00 0.00 41.96 41.40 1hql s TYR 142 CO 0.26 0.35 1.11 0.54 -1.52 0.00 0.00 175.55 176.29 1hql n ARG 143 N -0.54 1.31 -3.67 -3.49 5.12 -1.26 -4.75 116.66 109.37 1hql n ARG 143 Ca -0.06 0.48 -0.08 0.00 -1.93 0.00 0.00 57.85 56.26 1hql n ARG 143 Cb 0.62 -2.26 -0.02 0.00 -1.16 0.00 0.00 32.46 29.64 1hql n ARG 143 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 1hql s HIS 144 N -1.37 -0.31 0.01 -1.55 -3.43 -0.23 -1.09 115.29 107.32 1hql s HIS 144 Ca 0.70 -0.02 0.04 0.00 -0.80 0.00 0.00 55.06 54.98 1hql s HIS 144 Cb -0.46 0.64 -0.03 0.00 -1.43 0.00 0.00 32.58 31.30 1hql s HIS 144 CO 0.51 -1.01 -0.10 0.42 -2.00 0.00 0.00 174.74 172.55 1hql s ILE 145 N -3.73 3.38 0.19 -5.38 1.01 0.18 -0.22 121.20 116.63 1hql s ILE 145 Ca 0.07 -0.89 -0.19 0.00 0.00 0.00 0.00 60.65 59.64 1hql s ILE 145 Cb -0.03 -2.45 0.04 0.00 0.01 0.00 0.00 42.46 40.02 1hql s ILE 145 CO -0.01 0.38 0.56 -0.83 0.00 0.00 0.00 174.94 175.04 1hql s GLY 146 N -1.40 -0.23 -0.20 6.18 0.00 -0.40 -0.71 107.32 110.55 1hql s GLY 146 Ca 0.16 -0.05 -0.05 0.00 0.00 0.00 0.00 44.72 44.79 1hql s GLY 146 CO 0.07 -0.13 -0.01 -0.42 0.00 0.00 0.00 173.10 172.61 1hql s ILE 147 N -3.85 3.88 -0.17 0.90 1.01 -0.83 0.27 121.20 122.42 1hql s ILE 147 Ca 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.38 1hql s ILE 147 Cb -0.02 -2.76 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 1hql s ILE 147 CO -0.05 0.43 -0.12 0.20 0.00 0.00 0.00 174.94 175.40 1hql s ASN 148 N 1.06 3.92 -0.40 3.58 0.01 0.15 -1.04 114.94 122.22 1hql s ASN 148 Ca 0.02 -0.41 0.01 0.00 -0.71 0.00 0.00 52.86 51.77 1hql s ASN 148 Cb -0.14 -1.62 0.11 0.00 0.41 0.00 0.00 41.25 40.00 1hql s ASN 148 CO 0.01 0.08 0.16 -0.69 -1.51 0.00 0.00 177.10 175.15 1hql s VAL 149 N 0.86 2.84 -1.56 1.60 1.01 -1.26 -0.98 120.40 122.90 1hql s VAL 149 Ca -0.03 -2.33 0.00 0.00 0.00 0.00 0.00 61.98 59.61 1hql s VAL 149 Cb -0.15 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1hql s VAL 149 CO 0.00 -0.67 0.00 0.59 0.00 0.00 0.00 175.10 175.02 1hql n ASN 150 N 4.26 -4.22 -3.62 3.32 3.02 0.21 -4.87 115.26 113.37 1hql n ASN 150 Ca 0.02 0.32 -0.16 0.00 -0.03 0.00 0.00 54.58 54.72 1hql n ASN 150 Cb 0.41 -3.77 -0.07 0.00 -0.61 0.00 0.00 39.78 35.73 1hql n ASN 150 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1hql s SER 151 N -2.24 -0.53 0.00 6.41 0.15 -1.26 -3.16 113.70 113.07 1hql s SER 151 Ca 0.00 0.65 0.22 0.00 0.70 0.00 0.00 55.95 57.52 1hql s SER 151 Cb 0.00 0.62 1.02 0.00 -1.71 0.00 0.00 66.02 65.95 1hql s SER 151 CO 0.00 -0.48 1.72 0.00 1.20 0.00 0.00 173.24 175.67 1hql n ILE 152 N 1.40 0.41 -3.25 6.45 0.13 -0.47 -4.45 119.36 119.57 1hql n ILE 152 Ca -0.19 0.10 -0.43 0.00 -1.10 0.00 0.00 62.75 61.13 1hql n ILE 152 Cb 0.56 -0.73 -0.07 0.00 -0.84 0.00 0.00 39.64 38.56 1hql n ILE 152 CO 0.00 0.00 0.00 -0.69 2.80 0.00 0.00 176.55 178.66 1hql s VAL 153 N -2.83 5.01 0.52 9.51 1.01 -1.26 -5.04 120.40 127.32 1hql s VAL 153 Ca 0.15 -0.48 -0.22 0.00 0.00 0.00 0.00 61.98 61.43 1hql s VAL 153 Cb 0.15 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 1hql s VAL 153 CO 0.38 -0.60 1.21 -1.20 0.00 0.00 0.00 175.10 174.88 1hql n SER 154 N 5.80 2.03 0.14 3.32 7.64 -1.26 -4.71 113.62 126.57 1hql n SER 154 Ca -0.07 0.97 0.10 0.00 1.01 0.00 0.00 58.87 60.87 1hql n SER 154 Cb 0.46 -1.49 0.05 0.00 -1.01 0.00 0.00 64.21 62.22 1hql n SER 154 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1hql h VAL 155 N 1.33 0.14 -2.40 0.44 -1.51 -1.46 -3.46 116.25 109.34 1hql h VAL 155 Ca -0.49 -1.23 -0.08 0.00 -1.23 0.00 0.00 66.70 63.67 1hql h VAL 155 Cb 1.32 1.83 -0.21 0.00 -2.13 0.00 0.00 31.29 32.10 1hql h VAL 155 CO 0.56 0.08 -0.03 0.00 -1.23 0.00 0.00 177.57 176.95 1hql s ALA 156 N -3.22 -1.38 0.17 5.19 0.00 -1.25 -5.04 121.76 116.22 1hql s ALA 156 Ca 0.02 1.29 -0.01 0.00 0.00 0.00 0.00 51.96 53.26 1hql s ALA 156 Cb 0.08 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1hql s ALA 156 CO 0.74 -0.29 0.09 0.95 0.00 0.00 0.00 175.76 177.25 1hql s THR 157 N -0.40 0.09 -0.06 0.00 -4.23 -1.26 -1.97 115.64 107.80 1hql s THR 157 Ca -0.05 -1.95 -0.04 0.00 -1.18 0.00 0.00 61.69 58.46 1hql s THR 157 Cb -0.03 -2.26 0.03 0.00 1.34 0.00 0.00 72.50 71.58 1hql s THR 157 CO 0.04 -0.25 0.15 -0.54 -0.54 0.00 0.00 174.62 173.48 1hql s LYS 158 N -4.09 0.13 0.29 3.99 -0.14 0.11 -4.98 119.74 115.05 1hql s LYS 158 Ca 0.31 0.31 -0.30 0.00 -1.36 0.00 0.00 55.97 54.94 1hql s LYS 158 Cb 0.07 -0.06 -0.11 0.00 -1.68 0.00 0.00 37.83 36.05 1hql s LYS 158 CO 0.07 -0.10 1.52 0.50 -0.76 0.00 0.00 175.35 176.57 1hql s ARG 159 N 0.72 4.18 -0.35 1.68 3.52 -1.26 -0.65 118.95 126.79 1hql s ARG 159 Ca -0.05 2.47 -0.03 0.00 -0.13 0.00 0.00 55.73 57.99 1hql s ARG 159 Cb -0.07 -3.05 0.07 0.00 -1.56 0.00 0.00 34.95 30.34 1hql s ARG 159 CO -0.04 -0.53 0.10 -0.46 -0.81 0.00 0.00 175.30 173.56 1hql s TRP 160 N -0.16 3.38 0.31 5.12 -0.00 -0.25 -4.79 118.94 122.54 1hql s TRP 160 Ca 0.60 -1.96 -0.29 0.00 -0.00 0.00 0.00 56.10 54.45 1hql s TRP 160 Cb -0.45 -2.57 -0.12 0.00 -0.00 0.00 0.00 33.47 30.33 1hql s TRP 160 CO 0.48 -0.85 1.40 0.39 -0.00 0.00 0.00 176.95 178.37 1hql n GLU 161 N 4.66 2.26 0.19 5.86 -0.58 -1.26 -4.46 120.64 127.31 1hql n GLU 161 Ca -0.09 0.80 0.03 0.00 -0.42 0.00 0.00 57.16 57.48 1hql n GLU 161 Cb 0.43 -2.45 0.39 0.00 -0.57 0.00 0.00 31.44 29.24 1hql n GLU 161 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1hql h ASP 162 N 3.48 0.00 -0.06 1.62 3.32 -1.98 -1.89 116.42 120.91 1hql h ASP 162 Ca -0.46 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.59 1hql h ASP 162 Cb 1.27 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.81 1hql h ASP 162 CO 0.70 0.35 0.04 0.77 -1.72 0.00 0.00 179.24 179.37 1hql h SER 163 N 0.00 0.04 0.11 6.45 4.64 -1.95 0.16 113.55 123.00 1hql h SER 163 Ca -0.00 -0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.03 1hql h SER 163 Cb 0.64 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1hql h SER 163 CO 0.05 0.03 -1.46 0.44 -0.87 0.00 0.00 176.83 175.01 1hql h ASP 164 N 0.05 0.35 -0.47 4.97 3.45 -1.81 -2.95 116.42 120.01 1hql h ASP 164 Ca 0.02 -0.84 0.02 0.00 0.43 0.00 0.00 57.03 56.67 1hql h ASP 164 Cb 0.04 -0.12 -0.03 0.00 -0.56 0.00 0.00 39.33 38.66 1hql h ASP 164 CO -0.00 1.63 0.28 0.40 -1.57 0.00 0.00 179.24 179.98 1hql h ILE 165 N -0.32 1.04 -0.47 0.35 2.04 -0.90 -1.95 117.51 117.31 1hql h ILE 165 Ca -0.32 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1hql h ILE 165 Cb 1.75 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1hql h ILE 165 CO 0.04 0.10 0.00 0.49 0.00 0.00 0.00 178.15 178.78 1hql n PHE 166 N -4.83 1.02 0.28 1.37 3.01 0.52 -4.39 117.46 114.45 1hql n PHE 166 Ca 0.03 -0.42 0.15 0.00 1.01 0.00 0.00 57.45 58.22 1hql n PHE 166 Cb 0.07 -0.17 0.81 0.00 -0.01 0.00 0.00 39.48 40.19 1hql n PHE 166 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1hql h SER 167 N 2.94 0.00 -1.16 4.37 4.64 -1.16 -3.46 113.55 119.72 1hql h SER 167 Ca 0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 1hql h SER 167 Cb 1.05 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.10 1hql h SER 167 CO 0.15 0.08 -0.25 0.61 -0.87 0.00 0.00 176.83 176.54 1hql n GLY 168 N -0.68 0.43 3.60 -0.77 0.00 -1.26 -5.01 105.19 101.50 1hql n GLY 168 Ca -0.02 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 1hql n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hql s LYS 169 N -3.91 2.06 -0.03 1.61 1.02 -1.26 -5.04 119.74 114.19 1hql s LYS 169 Ca 0.00 -1.64 -0.30 0.00 0.02 0.00 0.00 55.97 54.05 1hql s LYS 169 Cb 0.00 -1.97 -0.03 0.00 -0.52 0.00 0.00 37.83 35.30 1hql s LYS 169 CO 0.00 0.26 1.08 0.42 -0.92 0.00 0.00 175.35 176.19 1hql s ILE 170 N -2.45 4.56 0.10 2.17 1.01 -1.26 -4.59 121.20 120.74 1hql s ILE 170 Ca 0.32 1.84 0.02 0.00 0.00 0.00 0.00 60.65 62.84 1hql s ILE 170 Cb -0.03 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1hql s ILE 170 CO 0.19 0.07 0.18 0.00 0.00 0.00 0.00 174.94 175.38 1hql s ALA 171 N 1.55 3.81 -0.19 9.38 0.00 -0.19 -4.27 121.76 131.84 1hql s ALA 171 Ca 0.53 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.51 1hql s ALA 171 Cb -0.23 -1.63 0.02 0.00 0.00 0.00 0.00 23.12 21.28 1hql s ALA 171 CO 0.24 0.69 -0.18 0.99 0.00 0.00 0.00 175.76 177.50 1hql s THR 172 N -1.57 2.14 -0.13 0.00 2.01 -0.08 -1.30 115.64 116.72 1hql s THR 172 Ca 0.33 -1.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.28 1hql s THR 172 Cb -0.12 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 1hql s THR 172 CO 0.26 0.47 0.04 0.00 -0.69 0.00 0.00 174.62 174.70 1hql s ALA 173 N 1.28 3.42 -0.05 7.40 0.00 0.76 -0.26 121.76 134.31 1hql s ALA 173 Ca 0.04 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1hql s ALA 173 Cb -0.14 -1.72 0.02 0.00 0.00 0.00 0.00 23.12 21.27 1hql s ALA 173 CO -0.12 0.43 -0.08 1.03 0.00 0.00 0.00 175.76 177.02 1hql s ARG 174 N -0.41 1.20 -0.06 0.00 0.52 0.15 -1.30 118.95 119.06 1hql s ARG 174 Ca 0.09 -0.26 0.01 0.00 -0.52 0.00 0.00 55.73 55.05 1hql s ARG 174 Cb -0.12 -1.07 0.02 0.00 0.52 0.00 0.00 34.95 34.30 1hql s ARG 174 CO 0.02 -0.01 -0.05 0.42 0.02 0.00 0.00 175.30 175.70 1hql s ILE 175 N 0.70 0.61 0.17 1.52 1.01 -0.53 -0.33 121.20 124.36 1hql s ILE 175 Ca -0.12 -0.13 0.07 0.00 0.00 0.00 0.00 60.65 60.47 1hql s ILE 175 Cb -0.14 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 1hql s ILE 175 CO 0.02 0.26 -0.15 -0.94 0.00 0.00 0.00 174.94 174.12 1hql s SER 176 N 1.14 2.46 -0.10 3.58 1.04 0.04 -1.00 113.70 120.85 1hql s SER 176 Ca -0.07 -0.92 -0.04 0.00 0.48 0.00 0.00 55.95 55.39 1hql s SER 176 Cb -0.14 -0.12 0.05 0.00 0.10 0.00 0.00 66.02 65.91 1hql s SER 176 CO -0.01 -0.13 0.21 -0.47 0.98 0.00 0.00 173.24 173.82 1hql s TYR 177 N -2.51 -0.29 -0.42 5.02 5.04 -0.22 -0.83 117.35 123.14 1hql s TYR 177 Ca 0.17 0.76 -0.16 0.00 -2.44 0.00 0.00 57.07 55.40 1hql s TYR 177 Cb -0.03 -0.11 0.02 0.00 0.35 0.00 0.00 41.96 42.19 1hql s TYR 177 CO 0.06 -0.29 0.39 0.34 -1.34 0.00 0.00 175.55 174.71 1hql s ASP 178 N 2.07 6.17 0.48 4.32 3.68 -0.58 -1.86 116.67 130.95 1hql s ASP 178 Ca -0.01 -0.74 0.16 0.00 2.13 0.00 0.00 52.55 54.09 1hql s ASP 178 Cb -0.12 -2.20 1.15 0.00 -1.45 0.00 0.00 42.92 40.31 1hql s ASP 178 CO -0.07 -0.53 2.07 1.23 0.13 0.00 0.00 175.17 177.99 1hql h GLY 179 N 8.90 0.00 0.47 2.66 0.00 -1.78 0.52 103.07 113.85 1hql h GLY 179 Ca -0.27 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 1hql h GLY 179 CO 0.77 0.00 -0.35 1.76 0.00 0.00 0.00 176.54 178.72 1hql h SER 180 N 0.00 0.27 1.86 0.19 0.02 -1.88 -3.32 113.55 110.70 1hql h SER 180 Ca -0.00 -0.83 0.00 0.00 -0.84 0.00 0.00 61.79 60.12 1hql h SER 180 Cb 0.18 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1hql h SER 180 CO 0.01 1.07 -0.06 0.00 -1.14 0.00 0.00 176.83 176.72 1hql h ALA 181 N 0.20 0.97 -4.90 3.77 0.00 -1.95 -3.48 119.26 113.87 1hql h ALA 181 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.58 1hql h ALA 181 Cb 1.15 0.00 0.13 0.00 0.00 0.00 0.00 17.79 19.06 1hql h ALA 181 CO 0.07 0.00 -0.59 0.39 0.00 0.00 0.00 179.25 179.11 1hql n GLU 182 N -2.95 -5.61 -4.98 0.00 1.02 0.18 -4.91 120.64 103.39 1hql n GLU 182 Ca 0.04 0.67 -0.29 0.00 -0.02 0.00 0.00 57.16 57.57 1hql n GLU 182 Cb 0.52 -5.19 -0.17 0.00 -0.02 0.00 0.00 31.44 26.58 1hql n GLU 182 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1hql s ILE 183 N -3.28 1.69 -0.15 -3.67 1.01 -1.10 -0.43 121.20 115.27 1hql s ILE 183 Ca 0.14 -0.82 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 1hql s ILE 183 Cb -0.06 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 1hql s ILE 183 CO 0.58 0.48 -0.00 -0.22 0.00 0.00 0.00 174.94 175.78 1hql s LEU 184 N 0.30 3.48 0.01 2.97 2.96 -0.61 -1.53 118.68 126.25 1hql s LEU 184 Ca -0.13 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.82 1hql s LEU 184 Cb -0.16 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 1hql s LEU 184 CO 0.06 0.22 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.29 1hql s THR 185 N 0.08 0.97 -0.02 3.68 2.01 -0.01 -1.30 115.64 121.05 1hql s THR 185 Ca 0.02 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.39 1hql s THR 185 Cb -0.13 -0.84 -0.00 0.00 0.01 0.00 0.00 72.50 71.54 1hql s THR 185 CO 0.02 0.17 -0.12 0.54 -0.69 0.00 0.00 174.62 174.54 1hql s VAL 186 N -0.48 0.96 -0.08 3.82 0.11 0.78 -0.78 120.40 124.73 1hql s VAL 186 Ca 0.03 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.59 1hql s VAL 186 Cb -0.06 -0.82 0.02 0.00 -1.53 0.00 0.00 36.38 33.99 1hql s VAL 186 CO 0.00 0.28 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.28 1hql s VAL 187 N -0.11 0.92 -0.19 2.04 1.01 0.56 -1.12 120.40 123.51 1hql s VAL 187 Ca 0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 1hql s VAL 187 Cb -0.07 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 1hql s VAL 187 CO 0.00 0.33 -0.04 -0.22 0.00 0.00 0.00 175.10 175.18 1hql s LEU 188 N 1.31 3.06 -0.01 3.92 0.20 -0.55 -0.67 118.68 125.94 1hql s LEU 188 Ca -0.03 -0.27 0.07 0.00 0.69 0.00 0.00 54.13 54.58 1hql s LEU 188 Cb -0.14 -1.76 -0.02 0.00 -0.43 0.00 0.00 46.19 43.84 1hql s LEU 188 CO -0.03 0.06 -0.21 -0.44 -0.29 0.00 0.00 176.35 175.44 1hql s SER 189 N 1.00 2.48 -0.03 3.68 0.01 0.64 -0.59 113.70 120.88 1hql s SER 189 Ca 0.01 -0.39 0.07 0.00 1.31 0.00 0.00 55.95 56.94 1hql s SER 189 Cb -0.15 -0.27 -0.02 0.00 0.21 0.00 0.00 66.02 65.79 1hql s SER 189 CO 0.01 0.25 -0.22 -0.31 0.41 0.00 0.00 173.24 173.37 1hql s TYR 190 N -0.52 2.45 0.56 2.43 1.51 -0.76 -0.90 117.35 122.11 1hql s TYR 190 Ca 0.08 -0.38 0.26 0.00 -1.01 0.00 0.00 57.07 56.02 1hql s TYR 190 Cb -0.08 -1.55 1.39 0.00 -0.11 0.00 0.00 41.96 41.62 1hql s TYR 190 CO -0.01 0.01 1.77 -1.00 -1.11 0.00 0.00 175.55 175.22 1hql h PRO 191 N 5.50 0.00 0.00 -1.71 0.13 -1.90 -3.09 132.00 130.92 1hql h PRO 191 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1hql h PRO 191 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1hql h PRO 191 CO 0.48 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.00 1hql n ASP 192 N -2.73 0.00 0.00 1.44 8.00 -1.26 -4.94 116.55 117.06 1hql n ASP 192 Ca -0.02 0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.93 1hql n ASP 192 Cb 0.40 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1hql n ASP 192 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hql n GLY 193 N 0.15 0.00 3.01 0.44 0.00 -1.17 -5.15 105.19 102.48 1hql n GLY 193 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1hql n GLY 193 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hql s SER 194 N 0.00 1.94 -0.05 1.61 1.04 -1.25 -5.04 113.70 111.95 1hql s SER 194 Ca 0.00 -0.32 0.04 0.00 0.48 0.00 0.00 55.95 56.15 1hql s SER 194 Cb 0.00 -0.87 0.00 0.00 0.10 0.00 0.00 66.02 65.25 1hql s SER 194 CO 0.00 0.01 -0.16 -1.81 0.98 0.00 0.00 173.24 172.26 1hql s ASP 195 N 0.88 2.07 -0.12 7.02 1.01 -1.26 -1.83 116.67 124.44 1hql s ASP 195 Ca -0.10 -0.34 -0.03 0.00 0.71 0.00 0.00 52.55 52.78 1hql s ASP 195 Cb -0.15 -0.67 -0.03 0.00 1.01 0.00 0.00 42.92 43.08 1hql s ASP 195 CO 0.01 0.12 -0.00 -0.31 0.21 0.00 0.00 175.17 175.20 1hql s TYR 196 N 0.19 3.13 -0.11 4.23 1.51 0.24 -4.94 117.35 121.60 1hql s TYR 196 Ca -0.07 0.04 0.01 0.00 -1.01 0.00 0.00 57.07 56.04 1hql s TYR 196 Cb -0.12 -1.87 0.02 0.00 -0.11 0.00 0.00 41.96 39.87 1hql s TYR 196 CO 0.03 0.28 -0.14 0.42 -1.11 0.00 0.00 175.55 175.03 1hql s ILE 197 N -0.36 1.43 -0.04 2.71 1.09 -1.26 -1.48 121.20 123.29 1hql s ILE 197 Ca 0.07 -0.59 -0.01 0.00 -1.10 0.00 0.00 60.65 59.01 1hql s ILE 197 Cb -0.12 -1.32 0.03 0.00 -1.06 0.00 0.00 42.46 39.99 1hql s ILE 197 CO 0.02 0.43 0.04 -0.22 -0.10 0.00 0.00 174.94 175.11 1hql s LEU 198 N 1.07 0.44 0.08 2.97 2.96 -0.28 -5.00 118.68 120.93 1hql s LEU 198 Ca -0.05 0.03 0.06 0.00 -0.22 0.00 0.00 54.13 53.95 1hql s LEU 198 Cb -0.15 -0.21 -0.03 0.00 0.50 0.00 0.00 46.19 46.30 1hql s LEU 198 CO -0.03 -0.21 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.19 1hql s SER 199 N 1.90 2.01 -0.25 3.68 0.01 -1.26 -0.15 113.70 119.64 1hql s SER 199 Ca 0.02 -0.63 -0.26 0.00 1.31 0.00 0.00 55.95 56.39 1hql s SER 199 Cb -0.12 -0.09 0.08 0.00 0.21 0.00 0.00 66.02 66.09 1hql s SER 199 CO -0.03 -0.01 0.75 -2.28 0.41 0.00 0.00 173.24 172.07 1hql s HIS 200 N -1.20 -0.74 0.09 2.43 2.46 -0.42 -5.00 115.29 112.91 1hql s HIS 200 Ca 0.02 1.75 -0.31 0.00 0.47 0.00 0.00 55.06 56.99 1hql s HIS 200 Cb -0.10 0.30 -0.07 0.00 -0.13 0.00 0.00 32.58 32.58 1hql s HIS 200 CO 0.03 -0.39 1.23 -1.54 -2.47 0.00 0.00 174.74 171.60 1hql s SER 201 N 0.18 7.03 -0.16 9.88 1.04 -1.26 -1.57 113.70 128.84 1hql s SER 201 Ca -0.01 2.11 -0.09 0.00 0.48 0.00 0.00 55.95 58.45 1hql s SER 201 Cb -0.04 -2.59 0.05 0.00 0.10 0.00 0.00 66.02 63.55 1hql s SER 201 CO 0.01 -0.48 0.38 0.54 0.98 0.00 0.00 173.24 174.67 1hql s VAL 202 N 0.86 -0.03 -0.39 5.02 0.11 0.43 -4.93 120.40 121.47 1hql s VAL 202 Ca 0.59 0.09 -0.12 0.00 -2.93 0.00 0.00 61.98 59.61 1hql s VAL 202 Cb -0.31 -0.57 0.03 0.00 -1.53 0.00 0.00 36.38 34.00 1hql s VAL 202 CO 0.31 0.04 0.24 -0.62 -3.33 0.00 0.00 175.10 171.73 1hql s ASP 203 N 1.26 5.84 0.40 3.54 3.68 -1.26 -4.31 116.67 125.81 1hql s ASP 203 Ca -0.09 -1.00 0.07 0.00 2.13 0.00 0.00 52.55 53.66 1hql s ASP 203 Cb -0.08 -2.06 0.81 0.00 -1.45 0.00 0.00 42.92 40.14 1hql s ASP 203 CO -0.11 -0.41 2.02 0.24 0.13 0.00 0.00 175.17 177.04 1hql h MET 204 N 8.49 0.53 -0.44 4.34 2.86 -1.95 -2.92 114.93 125.84 1hql h MET 204 Ca -0.26 -0.05 0.11 0.00 -2.06 0.00 0.00 59.70 57.44 1hql h MET 204 Cb 1.11 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.63 1hql h MET 204 CO 0.69 0.39 0.31 0.00 1.06 0.00 0.00 176.91 179.36 1hql h ARG 205 N 0.54 0.11 -0.66 1.72 3.08 -1.93 0.91 114.38 118.15 1hql h ARG 205 Ca 0.14 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1hql h ARG 205 Cb 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1hql h ARG 205 CO -0.02 0.07 0.00 1.04 -1.07 0.00 0.00 179.97 179.99 1hql n GLN 206 N -4.44 2.97 0.00 0.04 6.02 -1.11 -4.46 117.38 116.40 1hql n GLN 206 Ca 0.07 -2.63 0.00 0.00 -0.01 0.00 0.00 57.00 54.43 1hql n GLN 206 Cb 0.43 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 30.09 1hql n GLN 206 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1hql n ASN 207 N 1.34 1.86 -3.91 1.08 3.02 -0.27 -5.10 115.26 113.29 1hql n ASN 207 Ca 0.23 -0.07 -0.09 0.00 -0.03 0.00 0.00 54.58 54.62 1hql n ASN 207 Cb 0.66 0.51 -0.09 0.00 -0.61 0.00 0.00 39.78 40.25 1hql n ASN 207 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1hql s LEU 208 N -1.39 1.69 0.88 3.41 1.43 0.16 -4.31 118.68 120.54 1hql s LEU 208 Ca 0.00 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 52.41 1hql s LEU 208 Cb 0.00 0.74 0.12 0.00 0.03 0.00 0.00 46.19 47.08 1hql s LEU 208 CO 0.00 -0.58 1.10 -2.16 0.23 0.00 0.00 176.35 174.94 1hql s PRO 209 N -3.03 1.40 0.40 1.29 0.04 -1.26 -4.57 135.00 129.26 1hql s PRO 209 Ca -0.01 0.68 0.12 0.00 0.04 0.00 0.00 61.00 61.82 1hql s PRO 209 Cb 0.01 -1.84 0.94 0.00 0.04 0.00 0.00 34.50 33.65 1hql s PRO 209 CO -0.07 -2.11 1.91 0.93 0.04 0.00 0.00 177.00 177.71 1hql h GLU 210 N -1.45 0.53 -6.14 4.56 5.08 -1.95 -3.40 114.58 111.81 1hql h GLU 210 Ca -0.49 -0.03 -0.69 0.00 -1.00 0.00 0.00 59.36 57.15 1hql h GLU 210 Cb 1.29 -0.12 -0.28 0.00 0.50 0.00 0.00 28.75 30.14 1hql h GLU 210 CO 0.57 0.35 -0.83 0.45 -1.00 0.00 0.00 179.01 178.55 1hql s SER 211 N -5.95 3.54 0.35 1.42 0.15 -1.26 -0.29 113.70 111.66 1hql s SER 211 Ca -0.09 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.21 1hql s SER 211 Cb 0.21 -0.86 -0.01 0.00 -1.71 0.00 0.00 66.02 63.66 1hql s SER 211 CO 0.77 0.28 0.42 0.68 1.20 0.00 0.00 173.24 176.60 1hql s VAL 212 N -0.38 0.00 0.10 4.45 -7.23 -0.49 -4.38 120.40 112.47 1hql s VAL 212 Ca 0.03 -1.72 0.07 0.00 -1.81 0.00 0.00 61.98 58.55 1hql s VAL 212 Cb -0.12 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 1hql s VAL 212 CO 0.02 0.00 -0.18 -0.13 -0.31 0.00 0.00 175.10 174.50 1hql s ARG 213 N -3.08 1.05 0.10 4.82 0.52 0.82 -0.12 118.95 123.05 1hql s ARG 213 Ca 0.34 -1.15 0.06 0.00 -0.52 0.00 0.00 55.73 54.46 1hql s ARG 213 Cb 0.00 -1.17 -0.04 0.00 0.52 0.00 0.00 34.95 34.26 1hql s ARG 213 CO 0.24 0.26 -0.08 0.14 0.02 0.00 0.00 175.30 175.88 1hql s VAL 214 N -1.43 3.52 0.21 3.52 -7.23 -1.26 -1.64 120.40 116.09 1hql s VAL 214 Ca 0.06 -1.19 -0.14 0.00 -1.81 0.00 0.00 61.98 58.90 1hql s VAL 214 Cb -0.09 -2.65 0.05 0.00 0.56 0.00 0.00 36.38 34.25 1hql s VAL 214 CO 0.04 0.12 0.70 0.61 -0.31 0.00 0.00 175.10 176.27 1hql n GLY 215 N 0.70 0.96 3.12 2.32 0.00 -0.14 -1.33 105.19 110.83 1hql n GLY 215 Ca -0.13 -1.14 -0.23 0.00 0.00 0.00 0.00 46.02 44.52 1hql n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hql s ILE 216 N -2.24 1.20 0.17 -0.61 1.01 -0.59 -0.94 121.20 119.20 1hql s ILE 216 Ca 0.15 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 60.22 1hql s ILE 216 Cb -0.03 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 1hql s ILE 216 CO 0.06 0.34 -0.13 -0.94 0.00 0.00 0.00 174.94 174.27 1hql s SER 217 N -0.31 2.24 -0.00 3.58 1.04 0.61 -1.05 113.70 119.81 1hql s SER 217 Ca 0.05 -0.98 -0.29 0.00 0.48 0.00 0.00 55.95 55.21 1hql s SER 217 Cb -0.06 -0.09 0.08 0.00 0.10 0.00 0.00 66.02 66.05 1hql s SER 217 CO -0.00 -0.22 0.69 0.00 0.98 0.00 0.00 173.24 174.69 1hql s ALA 218 N -2.95 -1.74 0.23 5.32 0.00 -0.88 -0.98 121.76 120.77 1hql s ALA 218 Ca 0.18 1.11 -0.18 0.00 0.00 0.00 0.00 51.96 53.07 1hql s ALA 218 Cb -0.00 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.34 1hql s ALA 218 CO 0.04 -0.48 0.59 -1.54 0.00 0.00 0.00 175.76 174.37 1hql s SER 219 N -1.64 -0.25 0.13 0.00 1.04 -1.22 -1.78 113.70 109.98 1hql s SER 219 Ca -0.07 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1hql s SER 219 Cb -0.00 0.64 -0.04 0.00 0.10 0.00 0.00 66.02 66.71 1hql s SER 219 CO 0.03 -1.17 0.00 0.42 0.98 0.00 0.00 173.24 173.50 1hql s THR 220 N -3.91 0.40 0.00 2.02 -4.23 -0.48 -0.73 115.64 108.72 1hql s THR 220 Ca 0.12 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 1hql s THR 220 Cb -0.03 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 71.89 1hql s THR 220 CO 0.03 -0.63 0.00 0.61 -0.54 0.00 0.00 174.62 174.09 1hql n GLY 221 N -0.10 2.07 0.19 3.99 0.00 -1.26 -1.29 105.19 108.79 1hql n GLY 221 Ca -0.08 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 1hql n GLY 221 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1hql h ASN 222 N 0.00 0.78 -4.29 1.61 2.35 -1.95 0.15 115.58 114.22 1hql h ASN 222 Ca 0.00 -0.68 -0.52 0.00 -0.55 0.00 0.00 56.30 54.55 1hql h ASN 222 Cb 0.00 -0.23 0.16 0.00 0.05 0.00 0.00 38.32 38.30 1hql h ASN 222 CO 0.00 1.35 0.28 0.20 -1.65 0.00 0.00 177.43 177.60 1hql s ASN 223 N -6.98 3.77 -0.29 5.81 0.02 -1.26 -4.85 114.94 111.16 1hql s ASN 223 Ca -0.11 2.00 0.17 0.00 -1.02 0.00 0.00 52.86 53.90 1hql s ASN 223 Cb 0.06 -2.54 0.49 0.00 0.02 0.00 0.00 41.25 39.28 1hql s ASN 223 CO 0.87 -2.54 1.11 0.00 0.02 0.00 0.00 177.10 176.57 1hql n GLN 224 N -3.84 2.20 -0.22 -0.60 6.02 -1.26 -4.76 117.38 114.91 1hql n GLN 224 Ca 0.10 -3.69 0.09 0.00 -0.01 0.00 0.00 57.00 53.50 1hql n GLN 224 Cb 0.53 -1.76 0.21 0.00 1.02 0.00 0.00 30.24 30.24 1hql n GLN 224 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1hql n PHE 225 N -0.54 0.58 -3.82 1.08 0.99 -1.26 -4.55 117.46 109.94 1hql n PHE 225 Ca 0.18 -0.38 -0.12 0.00 -0.00 0.00 0.00 57.45 57.13 1hql n PHE 225 Cb 0.84 -0.01 -0.12 0.00 -1.00 0.00 0.00 39.48 39.18 1hql n PHE 225 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1hql s LEU 226 N -1.14 1.43 -0.06 4.37 2.96 -1.26 -1.46 118.68 123.53 1hql s LEU 226 Ca 0.35 0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 54.50 1hql s LEU 226 Cb 0.19 0.53 0.03 0.00 0.50 0.00 0.00 46.19 47.45 1hql s LEU 226 CO 0.26 -0.08 0.08 -0.89 -1.32 0.00 0.00 176.35 174.40 1hql s THR 227 N -0.04 -0.13 -0.05 3.68 2.01 -0.60 -4.80 115.64 115.71 1hql s THR 227 Ca -0.01 0.38 -0.19 0.00 0.31 0.00 0.00 61.69 62.17 1hql s THR 227 Cb -0.02 -0.20 -0.05 0.00 0.01 0.00 0.00 72.50 72.24 1hql s THR 227 CO 0.00 0.14 0.54 -0.69 -0.69 0.00 0.00 174.62 173.92 1hql s VAL 228 N 2.19 5.04 -0.05 3.82 1.01 -1.26 -1.74 120.40 129.41 1hql s VAL 228 Ca 0.05 1.11 0.03 0.00 0.00 0.00 0.00 61.98 63.17 1hql s VAL 228 Cb -0.12 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1hql s VAL 228 CO -0.04 0.38 -0.14 -0.31 0.00 0.00 0.00 175.10 174.99 1hql s TYR 229 N 0.12 1.50 -0.24 5.22 2.02 -0.90 -3.96 117.35 121.11 1hql s TYR 229 Ca 0.29 -0.46 -0.06 0.00 -0.37 0.00 0.00 57.07 56.47 1hql s TYR 229 Cb -0.17 -1.04 -0.02 0.00 -0.40 0.00 0.00 41.96 40.33 1hql s TYR 229 CO 0.14 -0.18 0.04 0.42 -1.57 0.00 0.00 175.55 174.39 1hql s ILE 230 N 0.23 4.04 -0.03 2.71 1.01 -0.35 -0.67 121.20 128.14 1hql s ILE 230 Ca -0.07 -0.27 0.08 0.00 0.00 0.00 0.00 60.65 60.40 1hql s ILE 230 Cb -0.12 -2.87 -0.24 0.00 0.01 0.00 0.00 42.46 39.24 1hql s ILE 230 CO 0.02 0.37 0.70 -0.07 0.00 0.00 0.00 174.94 175.96 1hql h LEU 231 N 8.16 0.09 -7.52 2.97 3.38 -1.54 0.58 115.31 121.43 1hql h LEU 231 Ca -0.39 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.35 1hql h LEU 231 Cb 1.17 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.77 1hql h LEU 231 CO 0.59 1.16 -0.07 -0.94 0.09 0.00 0.00 178.44 179.26 1hql s SER 232 N -6.35 -0.21 -0.29 -0.43 1.04 -1.25 -3.90 113.70 102.31 1hql s SER 232 Ca -0.07 -0.41 -0.16 0.00 0.48 0.00 0.00 55.95 55.79 1hql s SER 232 Cb 0.08 0.49 0.14 0.00 0.10 0.00 0.00 66.02 66.83 1hql s SER 232 CO 0.82 -0.90 0.93 0.86 0.98 0.00 0.00 173.24 175.93 1hql s TRP 233 N -3.83 -0.65 0.05 5.02 -0.00 0.30 -2.21 118.94 117.61 1hql s TRP 233 Ca 0.06 1.29 -0.00 0.00 -0.00 0.00 0.00 56.10 57.44 1hql s TRP 233 Cb 0.01 0.39 -0.04 0.00 -0.00 0.00 0.00 33.47 33.83 1hql s TRP 233 CO -0.09 -0.32 -0.04 -0.98 -0.00 0.00 0.00 176.95 175.52 1hql s ARG 234 N 1.38 0.57 -0.02 5.86 1.70 -0.35 0.93 118.95 129.02 1hql s ARG 234 Ca -0.09 -1.09 -0.24 0.00 -0.47 0.00 0.00 55.73 53.84 1hql s ARG 234 Cb -0.04 0.12 0.05 0.00 -0.57 0.00 0.00 34.95 34.51 1hql s ARG 234 CO -0.16 -0.08 0.52 0.12 -1.08 0.00 0.00 175.30 174.63 1hql s PHE 235 N -3.26 -0.45 -0.07 5.89 5.36 0.24 -1.77 117.98 123.92 1hql s PHE 235 Ca 0.02 0.71 -0.16 0.00 -0.96 0.00 0.00 56.93 56.54 1hql s PHE 235 Cb 0.03 0.29 0.03 0.00 -0.34 0.00 0.00 43.02 43.03 1hql s PHE 235 CO -0.07 -0.54 0.38 -1.54 -1.46 0.00 0.00 175.22 171.99 1hql s SER 236 N -1.39 -0.32 -0.00 6.13 1.04 -0.59 -0.37 113.70 118.19 1hql s SER 236 Ca -0.11 0.44 -0.06 0.00 0.48 0.00 0.00 55.95 56.70 1hql s SER 236 Cb -0.02 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1hql s SER 236 CO 0.06 -0.33 0.12 -0.55 0.98 0.00 0.00 173.24 173.51 1hql s SER 237 N -0.68 0.02 -0.09 7.02 0.15 0.26 -1.17 113.70 119.21 1hql s SER 237 Ca -0.08 -0.16 -0.04 0.00 0.70 0.00 0.00 55.95 56.37 1hql s SER 237 Cb -0.04 0.21 0.05 0.00 -1.71 0.00 0.00 66.02 64.53 1hql s SER 237 CO 0.03 -0.32 0.19 0.20 1.20 0.00 0.00 173.24 174.55 1hql s ASN 238 N -1.17 0.12 0.00 5.45 0.01 0.30 -1.94 114.94 117.70 1hql s ASN 238 Ca -0.13 0.40 0.19 0.00 -0.71 0.00 0.00 52.86 52.62 1hql s ASN 238 Cb -0.07 0.33 1.14 0.00 0.41 0.00 0.00 41.25 43.06 1hql s ASN 238 CO 0.01 -0.19 1.53 0.18 -1.51 0.00 0.00 177.10 177.12