#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkq s TRP 5 N 0.00 2.90 0.00 1.57 1.48 -1.26 -4.86 118.94 118.77 3hkq s TRP 5 Ca 0.00 1.53 0.00 0.00 -1.06 0.00 0.00 56.10 56.57 3hkq s TRP 5 Cb 0.00 -3.07 0.00 0.00 -1.16 0.00 0.00 33.47 29.24 3hkq s TRP 5 CO 0.00 -1.20 0.00 0.41 -4.06 0.00 0.00 176.95 172.10 3hkq n GLY 6 N -0.68 3.19 0.04 3.67 0.00 -0.31 -5.03 105.19 106.06 3hkq n GLY 6 Ca 0.09 -0.40 0.01 0.00 0.00 0.00 0.00 46.02 45.72 3hkq n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hkq n TYR 7 N 0.00 0.00 -2.04 1.61 4.01 -1.26 -3.92 117.16 115.55 3hkq n TYR 7 Ca 0.00 -0.38 -0.29 0.00 -0.16 0.00 0.00 57.90 57.07 3hkq n TYR 7 Cb 0.00 -0.05 0.16 0.00 -0.31 0.00 0.00 39.34 39.15 3hkq n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3hkq s GLY 8 N -0.93 1.76 0.44 2.72 0.00 -1.26 -4.65 107.32 105.40 3hkq s GLY 8 Ca 0.04 -1.24 0.15 0.00 0.00 0.00 0.00 44.72 43.66 3hkq s GLY 8 CO 0.00 -0.53 1.97 1.70 0.00 0.00 0.00 173.10 176.24 3hkq h LYS 9 N -1.40 0.00 0.00 2.90 3.11 -1.97 0.20 116.57 119.41 3hkq h LYS 9 Ca -0.43 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.41 3hkq h LYS 9 Cb 1.25 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.48 3hkq h LYS 9 CO 0.41 0.21 -1.03 0.72 -2.81 0.00 0.00 179.45 176.95 3hkq n HIS 10 N -4.27 0.02 -1.32 1.91 8.25 -1.26 -4.47 115.22 114.08 3hkq n HIS 10 Ca -0.02 0.01 0.01 0.00 -0.26 0.00 0.00 57.72 57.45 3hkq n HIS 10 Cb 0.27 -0.11 0.01 0.00 1.12 0.00 0.00 29.99 31.27 3hkq n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3hkq n ASN 11 N -1.60 0.32 -3.48 0.41 6.94 -1.17 -4.95 115.26 111.73 3hkq n ASN 11 Ca 0.03 -1.62 -0.24 0.00 -0.02 0.00 0.00 54.58 52.73 3hkq n ASN 11 Cb 0.36 -0.11 0.19 0.00 -2.36 0.00 0.00 39.78 37.86 3hkq n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hkq n GLY 12 N -0.14 -2.04 0.56 4.83 0.00 0.69 -1.16 105.19 107.93 3hkq n GLY 12 Ca 0.01 -1.60 0.42 0.00 0.00 0.00 0.00 46.02 44.85 3hkq n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hkq h PRO 13 N 0.00 0.05 0.00 1.61 0.11 -1.84 0.33 132.00 132.25 3hkq h PRO 13 Ca -0.35 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3hkq h PRO 13 Cb 1.01 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3hkq h PRO 13 CO 0.24 0.03 0.00 0.93 -0.21 0.00 0.00 178.00 178.99 3hkq h GLU 14 N 0.05 0.00 0.00 1.05 3.07 -1.93 -3.11 114.58 113.71 3hkq h GLU 14 Ca 0.82 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.68 3hkq h GLU 14 Cb 2.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.85 3hkq h GLU 14 CO -0.21 0.00 -1.84 0.72 -1.40 0.00 0.00 179.01 176.28 3hkq n HIS 15 N -2.85 0.00 -0.28 4.33 8.25 0.11 -4.63 115.22 120.16 3hkq n HIS 15 Ca 0.01 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.64 3hkq n HIS 15 Cb 0.28 -0.42 0.45 0.00 1.12 0.00 0.00 29.99 31.43 3hkq n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3hkq h TRP 16 N 0.00 0.69 -0.03 4.41 6.55 -1.46 -2.34 115.95 123.77 3hkq h TRP 16 Ca 0.00 0.02 0.01 0.00 0.95 0.00 0.00 58.89 59.87 3hkq h TRP 16 Cb 0.89 -0.21 -0.00 0.00 -0.86 0.00 0.00 29.16 28.98 3hkq h TRP 16 CO 0.00 0.18 0.06 1.12 -1.05 0.00 0.00 178.44 178.75 3hkq h HIS 17 N 0.52 0.00 -0.51 0.49 2.07 -1.79 0.84 115.15 116.76 3hkq h HIS 17 Ca 0.50 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.90 3hkq h HIS 17 Cb 1.08 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.05 3hkq h HIS 17 CO -0.00 0.00 -0.14 0.87 -3.07 0.00 0.00 177.93 175.59 3hkq h LYS 18 N 0.00 0.98 0.00 5.12 1.57 -1.77 -2.51 116.57 119.97 3hkq h LYS 18 Ca 0.01 -0.37 -0.07 0.00 -1.87 0.00 0.00 60.65 58.35 3hkq h LYS 18 Cb 0.13 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3hkq h LYS 18 CO -0.00 1.05 -1.78 -0.25 -0.57 0.00 0.00 179.45 177.90 3hkq n ASP 19 N -4.13 0.28 -3.58 0.86 9.92 -0.92 -4.66 116.55 114.31 3hkq n ASP 19 Ca 0.01 0.11 -0.27 0.00 -0.53 0.00 0.00 54.79 54.11 3hkq n ASP 19 Cb 0.41 1.33 -0.11 0.00 -0.64 0.00 0.00 41.12 42.11 3hkq n ASP 19 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 3hkq s PHE 20 N -3.27 2.01 0.63 1.24 0.08 0.24 -4.98 117.98 113.93 3hkq s PHE 20 Ca -0.06 -2.70 0.29 0.00 0.12 0.00 0.00 56.93 54.58 3hkq s PHE 20 Cb 0.11 -1.59 1.55 0.00 -0.57 0.00 0.00 43.02 42.52 3hkq s PHE 20 CO 0.86 -0.72 1.91 -1.00 -0.10 0.00 0.00 175.22 176.17 3hkq h PRO 21 N 5.58 0.00 0.00 0.24 0.13 -1.68 0.17 132.00 136.45 3hkq h PRO 21 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 3hkq h PRO 21 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3hkq h PRO 21 CO 0.50 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.78 3hkq n ILE 22 N -3.29 1.26 0.22 -3.56 3.06 -1.26 -2.17 119.36 113.62 3hkq n ILE 22 Ca 0.03 0.45 0.18 0.00 -2.50 0.00 0.00 62.75 60.90 3hkq n ILE 22 Cb 0.50 -1.38 0.86 0.00 0.54 0.00 0.00 39.64 40.16 3hkq n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3hkq h ALA 23 N 2.17 1.70 -0.48 1.51 0.00 -1.28 0.57 119.26 123.45 3hkq h ALA 23 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 3hkq h ALA 23 Cb 0.14 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.85 3hkq h ALA 23 CO 0.00 -0.30 0.10 1.63 0.00 0.00 0.00 179.25 180.67 3hkq n LYS 24 N -3.61 2.82 -0.21 0.00 5.02 -0.92 -4.95 118.16 116.31 3hkq n LYS 24 Ca 0.01 -3.03 -0.06 0.00 -2.02 0.00 0.00 58.31 53.21 3hkq n LYS 24 Cb 0.33 -1.97 0.05 0.00 -0.02 0.00 0.00 35.03 33.42 3hkq n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hkq n GLY 25 N -0.62 -2.49 0.17 0.72 0.00 0.20 -5.00 105.19 98.17 3hkq n GLY 25 Ca 0.33 -1.46 0.09 0.00 0.00 0.00 0.00 46.02 44.98 3hkq n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hkq h GLU 26 N 0.00 0.00 -1.85 1.61 4.22 -1.96 -3.39 114.58 113.21 3hkq h GLU 26 Ca -0.08 0.00 -0.47 0.00 0.08 0.00 0.00 59.36 58.89 3hkq h GLU 26 Cb 0.24 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.09 3hkq h GLU 26 CO 0.05 0.13 -1.13 2.89 -2.18 0.00 0.00 179.01 178.77 3hkq n ARG 27 N -3.02 1.28 -2.84 1.92 1.85 -1.26 -4.67 116.66 109.92 3hkq n ARG 27 Ca 0.02 -3.53 -0.31 0.00 -1.00 0.00 0.00 57.85 53.03 3hkq n ARG 27 Cb 0.60 -1.69 -0.04 0.00 -1.05 0.00 0.00 32.46 30.28 3hkq n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3hkq s GLN 28 N -2.68 3.82 0.18 2.89 -1.52 -1.26 -2.56 119.66 118.53 3hkq s GLN 28 Ca 0.39 0.54 0.07 0.00 -1.95 0.00 0.00 55.36 54.40 3hkq s GLN 28 Cb 0.36 -2.37 -0.04 0.00 -0.22 0.00 0.00 33.01 30.74 3hkq s GLN 28 CO -0.07 -0.04 -0.14 -1.12 -0.25 0.00 0.00 175.29 173.68 3hkq s SER 29 N -3.05 2.34 1.00 5.90 0.01 -1.26 -4.66 113.70 113.97 3hkq s SER 29 Ca 0.52 -0.98 -0.14 0.00 1.31 0.00 0.00 55.95 56.66 3hkq s SER 29 Cb -0.10 -0.10 0.19 0.00 0.21 0.00 0.00 66.02 66.21 3hkq s SER 29 CO 0.30 -0.19 1.11 -0.81 0.41 0.00 0.00 173.24 174.05 3hkq n PRO 30 N -0.19 -1.08 -4.08 12.44 -0.04 -1.26 -4.54 135.00 136.25 3hkq n PRO 30 Ca -0.10 -1.73 -0.09 0.00 -0.04 0.00 0.00 63.50 61.55 3hkq n PRO 30 Cb 0.60 -1.14 -0.09 0.00 -0.04 0.00 0.00 33.50 32.82 3hkq n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3hkq s VAL 31 N -3.43 0.12 -0.03 0.52 -7.23 -1.26 -0.23 120.40 108.87 3hkq s VAL 31 Ca 0.63 -1.74 -0.22 0.00 -1.81 0.00 0.00 61.98 58.84 3hkq s VAL 31 Cb -0.02 -1.88 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 3hkq s VAL 31 CO 0.44 -0.52 0.65 -0.62 -0.31 0.00 0.00 175.10 174.74 3hkq s ASP 32 N -3.00 6.99 -0.48 4.85 2.15 -1.26 -3.17 116.67 122.75 3hkq s ASP 32 Ca 0.19 1.19 -0.18 0.00 0.43 0.00 0.00 52.55 54.17 3hkq s ASP 32 Cb 0.07 -2.39 0.05 0.00 -0.30 0.00 0.00 42.92 40.35 3hkq s ASP 32 CO -0.01 0.01 0.55 -0.63 -0.17 0.00 0.00 175.17 174.92 3hkq s ILE 33 N 0.22 4.97 -0.58 4.11 1.09 0.40 -4.94 121.20 126.48 3hkq s ILE 33 Ca 0.34 -0.51 -0.24 0.00 -1.10 0.00 0.00 60.65 59.14 3hkq s ILE 33 Cb -0.18 -4.21 0.05 0.00 -1.06 0.00 0.00 42.46 37.05 3hkq s ILE 33 CO 0.18 -0.68 0.95 -0.62 -0.10 0.00 0.00 174.94 174.67 3hkq s ASP 34 N 2.45 6.30 0.62 3.58 2.15 -1.26 -0.96 116.67 129.54 3hkq s ASP 34 Ca 0.13 -0.50 0.33 0.00 0.43 0.00 0.00 52.55 52.94 3hkq s ASP 34 Cb -0.19 -2.43 1.86 0.00 -0.30 0.00 0.00 42.92 41.86 3hkq s ASP 34 CO 0.12 -1.28 2.17 0.71 -0.17 0.00 0.00 175.17 176.72 3hkq h THR 35 N 6.01 0.33 -0.06 1.71 1.35 -1.95 -0.90 112.91 119.39 3hkq h THR 35 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3hkq h THR 35 Cb 1.07 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 3hkq h THR 35 CO 1.11 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 177.79 3hkq n HIS 36 N -3.55 0.07 0.04 4.73 8.25 -1.26 -3.82 115.22 119.68 3hkq n HIS 36 Ca -0.01 -0.03 0.02 0.00 -0.26 0.00 0.00 57.72 57.44 3hkq n HIS 36 Cb 0.23 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 3hkq n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3hkq n THR 37 N 0.28 0.00 -2.19 1.59 -1.04 -0.39 -5.01 114.28 107.53 3hkq n THR 37 Ca 0.18 -0.17 -0.40 0.00 -2.04 0.00 0.00 64.05 61.62 3hkq n THR 37 Cb 0.36 0.57 -0.02 0.00 -1.82 0.00 0.00 70.33 69.42 3hkq n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hkq s ALA 38 N -2.01 3.35 -0.21 2.41 0.00 -0.94 -4.82 121.76 119.53 3hkq s ALA 38 Ca -0.01 1.14 -0.08 0.00 0.00 0.00 0.00 51.96 53.01 3hkq s ALA 38 Cb 0.02 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 3hkq s ALA 38 CO 0.15 -0.60 0.09 0.21 0.00 0.00 0.00 175.76 175.61 3hkq s LYS 39 N -1.98 3.92 0.14 0.00 2.47 -0.73 -4.82 119.74 118.73 3hkq s LYS 39 Ca 0.52 -0.36 -0.31 0.00 -1.56 0.00 0.00 55.97 54.26 3hkq s LYS 39 Cb -0.36 -3.32 -0.09 0.00 -1.46 0.00 0.00 37.83 32.60 3hkq s LYS 39 CO 0.47 0.11 1.54 -0.47 0.16 0.00 0.00 175.35 177.16 3hkq s TYR 40 N 0.84 3.02 -0.43 4.03 5.04 -1.26 -0.71 117.35 127.87 3hkq s TYR 40 Ca 0.05 0.66 0.02 0.00 -2.44 0.00 0.00 57.07 55.35 3hkq s TYR 40 Cb -0.13 -3.88 0.12 0.00 0.35 0.00 0.00 41.96 38.41 3hkq s TYR 40 CO 0.02 -3.26 0.18 0.34 -1.34 0.00 0.00 175.55 171.49 3hkq s ASP 41 N 1.31 4.75 0.00 4.32 -1.08 -0.33 -4.87 116.67 120.77 3hkq s ASP 41 Ca 0.69 -2.47 0.07 0.00 -0.52 0.00 0.00 52.55 50.33 3hkq s ASP 41 Cb -0.42 -1.69 0.33 0.00 -1.46 0.00 0.00 42.92 39.69 3hkq s ASP 41 CO 0.31 -0.36 1.22 -0.81 0.52 0.00 0.00 175.17 176.05 3hkq n PRO 42 N 3.88 0.01 0.19 4.34 -0.04 -1.26 -2.01 135.00 140.10 3hkq n PRO 42 Ca 0.04 0.35 0.08 0.00 -0.04 0.00 0.00 63.50 63.93 3hkq n PRO 42 Cb 0.38 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.47 3hkq n PRO 42 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hkq h SER 43 N 0.00 0.00 -3.51 3.54 4.64 -1.97 -3.46 113.55 112.80 3hkq h SER 43 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3hkq h SER 43 Cb 0.12 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.32 3hkq h SER 43 CO 0.00 0.22 0.61 0.18 -0.87 0.00 0.00 176.83 176.97 3hkq n LEU 44 N -3.16 3.98 -4.92 5.97 4.77 -0.85 -4.99 117.00 117.81 3hkq n LEU 44 Ca 0.03 1.21 -0.26 0.00 -0.03 0.00 0.00 56.01 56.96 3hkq n LEU 44 Cb 0.61 -1.53 -0.00 0.00 -2.33 0.00 0.00 43.42 40.17 3hkq n LEU 44 CO 0.37 -0.25 0.38 -0.54 -1.33 0.00 0.00 177.39 176.02 3hkq s LYS 45 N -1.89 3.47 0.34 3.23 1.02 -1.16 -4.95 119.74 119.81 3hkq s LYS 45 Ca 0.55 0.04 -0.29 0.00 0.02 0.00 0.00 55.97 56.29 3hkq s LYS 45 Cb -0.54 -2.44 -0.12 0.00 -0.52 0.00 0.00 37.83 34.21 3hkq s LYS 45 CO 0.62 -0.15 1.43 -2.30 -0.92 0.00 0.00 175.35 174.03 3hkq n PRO 46 N -2.16 2.44 -2.54 -1.68 -0.02 -1.26 -1.78 135.00 127.99 3hkq n PRO 46 Ca -0.00 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 61.91 3hkq n PRO 46 Cb 0.56 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 3hkq n PRO 46 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3hkq s LEU 47 N -1.27 4.39 -0.27 2.45 0.20 -1.26 -2.30 118.68 120.62 3hkq s LEU 47 Ca 0.57 1.90 0.00 0.00 0.69 0.00 0.00 54.13 57.29 3hkq s LEU 47 Cb -0.53 -3.58 0.05 0.00 -0.43 0.00 0.00 46.19 41.70 3hkq s LEU 47 CO 0.60 -0.35 -0.07 -0.55 -0.29 0.00 0.00 176.35 175.69 3hkq s SER 48 N 0.85 4.52 -0.40 3.68 0.15 0.21 -4.91 113.70 117.81 3hkq s SER 48 Ca 0.55 -1.23 -0.07 0.00 0.70 0.00 0.00 55.95 55.90 3hkq s SER 48 Cb -0.26 -1.63 0.08 0.00 -1.71 0.00 0.00 66.02 62.50 3hkq s SER 48 CO 0.30 -0.20 0.22 -0.69 1.20 0.00 0.00 173.24 174.07 3hkq s VAL 49 N 1.20 3.91 -0.75 4.45 1.01 -1.26 -0.94 120.40 128.02 3hkq s VAL 49 Ca -0.05 -1.52 -0.08 0.00 0.00 0.00 0.00 61.98 60.33 3hkq s VAL 49 Cb -0.19 -3.42 0.20 0.00 0.00 0.00 0.00 36.38 32.96 3hkq s VAL 49 CO -0.04 -0.49 0.63 -0.44 0.00 0.00 0.00 175.10 174.76 3hkq s SER 50 N 1.96 6.03 -0.21 3.32 0.01 -0.22 -4.87 113.70 119.73 3hkq s SER 50 Ca 0.03 -2.86 0.15 0.00 1.31 0.00 0.00 55.95 54.57 3hkq s SER 50 Cb -0.23 -2.03 0.54 0.00 0.21 0.00 0.00 66.02 64.52 3hkq s SER 50 CO 0.01 -0.45 1.46 -1.22 0.41 0.00 0.00 173.24 173.45 3hkq n TYR 51 N 3.60 1.10 0.07 2.43 4.01 -1.26 -0.98 117.16 126.13 3hkq n TYR 51 Ca 0.12 -1.05 0.00 0.00 -0.16 0.00 0.00 57.90 56.81 3hkq n TYR 51 Cb 0.42 -0.38 0.31 0.00 -0.31 0.00 0.00 39.34 39.38 3hkq n TYR 51 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 3hkq h ASP 52 N 1.70 0.34 -0.41 7.72 1.82 -1.89 -3.00 116.42 122.69 3hkq h ASP 52 Ca 0.07 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 3hkq h ASP 52 Cb 1.57 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.49 3hkq h ASP 52 CO 0.30 0.52 0.00 0.00 -1.61 0.00 0.00 179.24 178.45 3hkq n GLN 53 N -4.21 3.70 -1.68 0.28 1.13 -1.25 -5.01 117.38 110.33 3hkq n GLN 53 Ca -0.00 -2.93 -0.45 0.00 -1.94 0.00 0.00 57.00 51.68 3hkq n GLN 53 Cb 0.32 -1.97 -0.03 0.00 0.11 0.00 0.00 30.24 28.66 3hkq n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hkq n ALA 54 N 0.07 1.43 -3.93 -1.58 0.00 -1.13 -4.47 120.51 110.90 3hkq n ALA 54 Ca 0.24 0.42 -0.30 0.00 0.00 0.00 0.00 53.44 53.79 3hkq n ALA 54 Cb 0.98 -2.33 -0.14 0.00 0.00 0.00 0.00 19.45 17.96 3hkq n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hkq s THR 55 N 0.35 2.24 0.56 0.00 2.01 -1.26 -4.86 115.64 114.68 3hkq s THR 55 Ca 0.72 -2.83 -0.18 0.00 0.31 0.00 0.00 61.69 59.71 3hkq s THR 55 Cb -0.64 -2.60 -0.05 0.00 0.01 0.00 0.00 72.50 69.23 3hkq s THR 55 CO 0.45 -0.75 1.09 -0.94 -0.69 0.00 0.00 174.62 173.78 3hkq s SER 56 N 0.25 5.77 0.01 3.53 1.04 -1.26 -1.16 113.70 121.87 3hkq s SER 56 Ca 0.15 2.00 0.00 0.00 0.48 0.00 0.00 55.95 58.58 3hkq s SER 56 Cb -0.23 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.33 3hkq s SER 56 CO -0.04 -1.18 0.00 0.18 0.98 0.00 0.00 173.24 173.18 3hkq n LEU 57 N -1.61 0.04 -3.65 2.42 4.77 0.57 -4.12 117.00 115.42 3hkq n LEU 57 Ca 0.10 0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.99 3hkq n LEU 57 Cb 0.52 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 3hkq n LEU 57 CO 0.44 -0.15 0.16 -0.60 -1.33 0.00 0.00 177.39 175.91 3hkq s ARG 58 N -2.00 1.09 -0.09 3.23 3.52 -1.22 -1.85 118.95 121.62 3hkq s ARG 58 Ca 0.00 -0.73 0.04 0.00 -0.13 0.00 0.00 55.73 54.91 3hkq s ARG 58 Cb 0.00 0.47 0.00 0.00 -1.56 0.00 0.00 34.95 33.86 3hkq s ARG 58 CO 0.00 -0.43 -0.22 -1.50 -0.81 0.00 0.00 175.30 172.34 3hkq s ILE 59 N -3.81 1.89 -0.00 4.11 -1.16 -0.46 -0.55 121.20 121.22 3hkq s ILE 59 Ca 0.04 -0.92 0.03 0.00 -0.51 0.00 0.00 60.65 59.28 3hkq s ILE 59 Cb 0.02 -1.64 -0.01 0.00 0.61 0.00 0.00 42.46 41.43 3hkq s ILE 59 CO -0.11 0.52 -0.10 -0.22 -2.81 0.00 0.00 174.94 172.22 3hkq s LEU 60 N 0.38 2.03 -0.40 8.50 2.96 0.03 -1.02 118.68 131.17 3hkq s LEU 60 Ca -0.18 -0.21 -0.18 0.00 -0.22 0.00 0.00 54.13 53.34 3hkq s LEU 60 Cb -0.17 -0.52 0.01 0.00 0.50 0.00 0.00 46.19 46.01 3hkq s LEU 60 CO 0.08 0.11 0.50 0.21 -1.32 0.00 0.00 176.35 175.93 3hkq s ASN 61 N -0.32 6.25 -0.01 3.68 3.84 -0.31 -0.45 114.94 127.63 3hkq s ASN 61 Ca 0.03 -0.40 0.20 0.00 0.21 0.00 0.00 52.86 52.90 3hkq s ASN 61 Cb -0.04 -2.25 0.58 0.00 -0.55 0.00 0.00 41.25 38.99 3hkq s ASN 61 CO -0.00 -0.58 1.49 -0.46 -2.79 0.00 0.00 177.10 174.75 3hkq n ASN 62 N 5.77 3.57 0.00 -4.21 0.23 -0.63 -0.70 115.26 119.29 3hkq n ASN 62 Ca -0.05 -2.03 0.00 0.00 -0.53 0.00 0.00 54.58 51.96 3hkq n ASN 62 Cb 0.48 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 3hkq n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hkq n GLY 63 N 1.50 1.40 0.00 4.83 0.00 -1.26 -4.76 105.19 106.90 3hkq n GLY 63 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3hkq n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hkq n HIS 64 N -2.00 0.00 -3.08 1.61 8.25 -1.26 -4.70 115.22 114.03 3hkq n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3hkq n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3hkq n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hkq n ALA 65 N -1.82 0.00 -2.57 -1.41 0.00 -1.26 -4.86 120.51 108.60 3hkq n ALA 65 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 3hkq n ALA 65 Cb 0.42 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.71 3hkq n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3hkq s PHE 66 N -4.65 1.85 -0.06 0.00 -0.71 -1.26 -1.61 117.98 111.54 3hkq s PHE 66 Ca 0.00 -0.41 0.02 0.00 -1.04 0.00 0.00 56.93 55.50 3hkq s PHE 66 Cb 0.00 -1.20 -0.03 0.00 -1.21 0.00 0.00 43.02 40.58 3hkq s PHE 66 CO 0.00 -0.08 -0.10 -0.80 -1.34 0.00 0.00 175.22 172.90 3hkq s ASN 67 N -0.33 4.39 -0.29 1.98 0.02 0.41 -4.28 114.94 116.84 3hkq s ASN 67 Ca 0.04 -0.10 -0.08 0.00 -1.02 0.00 0.00 52.86 51.71 3hkq s ASN 67 Cb -0.09 -1.05 -0.00 0.00 0.02 0.00 0.00 41.25 40.13 3hkq s ASN 67 CO 0.00 0.35 0.10 -0.69 0.02 0.00 0.00 177.10 176.89 3hkq s VAL 68 N -0.76 4.23 0.11 1.60 1.01 -0.35 -0.79 120.40 125.46 3hkq s VAL 68 Ca 0.12 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 3hkq s VAL 68 Cb -0.11 -3.15 -0.06 0.00 0.00 0.00 0.00 36.38 33.07 3hkq s VAL 68 CO 0.01 0.11 0.39 -1.61 0.00 0.00 0.00 175.10 174.00 3hkq s GLU 69 N 1.56 3.68 0.21 2.72 2.02 0.29 -1.84 118.70 127.33 3hkq s GLU 69 Ca 0.04 0.04 0.10 0.00 0.02 0.00 0.00 54.97 55.17 3hkq s GLU 69 Cb -0.17 -2.92 -0.05 0.00 0.10 0.00 0.00 34.13 31.10 3hkq s GLU 69 CO 0.04 0.51 -0.19 -0.06 0.02 0.00 0.00 175.26 175.59 3hkq s PHE 70 N -1.53 2.00 -0.40 1.61 0.40 -0.52 -0.32 117.98 119.23 3hkq s PHE 70 Ca 0.37 -0.44 -0.29 0.00 -0.60 0.00 0.00 56.93 55.97 3hkq s PHE 70 Cb -0.13 -0.94 0.02 0.00 0.51 0.00 0.00 43.02 42.48 3hkq s PHE 70 CO 0.21 0.48 1.13 0.34 0.70 0.00 0.00 175.22 178.08 3hkq s ASP 71 N -3.07 6.75 -0.45 1.36 2.15 -0.31 -4.82 116.67 118.27 3hkq s ASP 71 Ca 0.22 0.75 0.03 0.00 0.43 0.00 0.00 52.55 53.99 3hkq s ASP 71 Cb -0.05 -2.55 0.45 0.00 -0.30 0.00 0.00 42.92 40.48 3hkq s ASP 71 CO 0.10 -1.10 1.53 -0.90 -0.17 0.00 0.00 175.17 174.62 3hkq n ASP 72 N 7.48 6.05 0.01 -0.34 5.75 -1.26 -4.59 116.55 129.64 3hkq n ASP 72 Ca 0.12 -3.77 0.12 0.00 -0.01 0.00 0.00 54.79 51.26 3hkq n ASP 72 Cb 0.48 -0.60 0.25 0.00 -1.03 0.00 0.00 41.12 40.22 3hkq n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3hkq n SER 73 N -0.79 0.50 -4.09 -1.12 3.41 -1.26 -4.93 113.62 105.34 3hkq n SER 73 Ca 0.51 -0.19 -0.10 0.00 -0.26 0.00 0.00 58.87 58.83 3hkq n SER 73 Cb 0.84 0.22 -0.08 0.00 -0.26 0.00 0.00 64.21 64.93 3hkq n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3hkq s GLN 74 N -3.02 1.33 -1.16 4.33 -0.21 -1.26 -5.05 119.66 114.63 3hkq s GLN 74 Ca 0.11 -1.41 -0.09 0.00 0.02 0.00 0.00 55.36 53.99 3hkq s GLN 74 Cb 0.17 0.37 -0.13 0.00 1.00 0.00 0.00 33.01 34.42 3hkq s GLN 74 CO 0.70 -0.50 3.07 -0.25 -2.12 0.00 0.00 175.29 176.19 3hkq n ASP 75 N -0.31 7.58 0.01 5.90 9.92 -1.26 -4.56 116.55 133.84 3hkq n ASP 75 Ca -0.01 -2.52 -0.02 0.00 -0.53 0.00 0.00 54.79 51.71 3hkq n ASP 75 Cb 0.64 -1.48 -0.01 0.00 -0.64 0.00 0.00 41.12 39.63 3hkq n ASP 75 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 3hkq h LYS 76 N 4.57 -0.09 -4.79 -1.24 1.57 -1.89 -3.44 116.57 111.26 3hkq h LYS 76 Ca 0.67 0.01 -0.68 0.00 -1.87 0.00 0.00 60.65 58.78 3hkq h LYS 76 Cb 0.59 0.02 -0.28 0.00 0.08 0.00 0.00 32.23 32.64 3hkq h LYS 76 CO 1.36 -0.06 -0.65 0.00 -0.57 0.00 0.00 179.45 179.53 3hkq s ALA 77 N -2.98 2.98 0.17 3.86 0.00 -1.26 -3.90 121.76 120.62 3hkq s ALA 77 Ca -0.01 -1.54 0.02 0.00 0.00 0.00 0.00 51.96 50.42 3hkq s ALA 77 Cb 0.00 -2.08 -0.05 0.00 0.00 0.00 0.00 23.12 20.99 3hkq s ALA 77 CO 0.04 -1.03 -0.02 0.14 0.00 0.00 0.00 175.76 174.90 3hkq s VAL 78 N 1.43 0.79 -0.09 0.00 -7.23 -0.15 -1.26 120.40 113.89 3hkq s VAL 78 Ca 0.01 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.22 3hkq s VAL 78 Cb -0.18 -2.06 0.00 0.00 0.56 0.00 0.00 36.38 34.70 3hkq s VAL 78 CO 0.01 -0.54 -0.21 -0.22 -0.31 0.00 0.00 175.10 173.84 3hkq s LEU 79 N -3.17 1.96 0.26 1.32 2.96 0.62 -1.05 118.68 121.58 3hkq s LEU 79 Ca 0.22 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.63 3hkq s LEU 79 Cb 0.05 -1.24 -0.03 0.00 0.50 0.00 0.00 46.19 45.48 3hkq s LEU 79 CO 0.03 0.13 0.28 -0.54 -1.32 0.00 0.00 176.35 174.92 3hkq s LYS 80 N 0.42 1.50 2.46 1.98 1.02 -0.12 -1.91 119.74 125.09 3hkq s LYS 80 Ca -0.18 -1.68 0.00 0.00 0.02 0.00 0.00 55.97 54.13 3hkq s LYS 80 Cb -0.17 0.34 0.00 0.00 -0.52 0.00 0.00 37.83 37.48 3hkq s LYS 80 CO 0.07 -0.56 0.00 0.41 -0.92 0.00 0.00 175.35 174.36 3hkq n GLY 81 N -0.42 -0.63 7.00 -3.33 0.00 -1.26 -0.62 105.19 105.93 3hkq n GLY 81 Ca 0.03 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3hkq n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkq n GLY 82 N 0.00 3.47 0.54 -0.02 0.00 -0.74 -0.82 105.19 107.63 3hkq n GLY 82 Ca 0.00 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.00 3hkq n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hkq n PRO 83 N 13.95 1.74 -2.99 1.61 -0.04 -1.26 -2.97 135.00 145.03 3hkq n PRO 83 Ca 0.00 -1.09 -0.39 0.00 -0.04 0.00 0.00 63.50 61.99 3hkq n PRO 83 Cb 0.00 -1.46 -0.06 0.00 -0.04 0.00 0.00 33.50 31.94 3hkq n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hkq s LEU 84 N -1.87 4.54 -0.22 1.53 1.43 -0.00 -5.06 118.68 119.04 3hkq s LEU 84 Ca 0.36 1.61 -0.02 0.00 -1.03 0.00 0.00 54.13 55.05 3hkq s LEU 84 Cb 0.20 -3.37 0.01 0.00 0.03 0.00 0.00 46.19 43.05 3hkq s LEU 84 CO 0.31 0.17 -0.09 -0.62 0.23 0.00 0.00 176.35 176.35 3hkq s ASP 85 N -1.25 4.00 0.00 2.29 -1.08 -1.26 -4.15 116.67 115.21 3hkq s ASP 85 Ca 0.37 -0.57 0.00 0.00 -0.52 0.00 0.00 52.55 51.84 3hkq s ASP 85 Cb -0.22 -1.65 0.00 0.00 -1.46 0.00 0.00 42.92 39.59 3hkq s ASP 85 CO 0.25 -0.04 0.00 0.61 0.52 0.00 0.00 175.17 176.51 3hkq n GLY 86 N 4.72 -1.76 3.33 2.66 0.00 -1.26 -4.97 105.19 107.91 3hkq n GLY 86 Ca -0.19 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.47 3hkq n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hkq s THR 87 N 0.00 2.58 -0.16 2.61 2.01 -1.26 -4.56 115.64 116.86 3hkq s THR 87 Ca 0.00 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.15 3hkq s THR 87 Cb 0.00 -2.02 0.00 0.00 0.01 0.00 0.00 72.50 70.50 3hkq s THR 87 CO 0.00 0.56 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.00 3hkq s TYR 88 N 0.02 2.76 -0.04 4.92 1.51 -0.80 -1.44 117.35 124.27 3hkq s TYR 88 Ca -0.07 -1.23 -0.18 0.00 -1.01 0.00 0.00 57.07 54.58 3hkq s TYR 88 Cb -0.15 -1.89 -0.05 0.00 -0.11 0.00 0.00 41.96 39.76 3hkq s TYR 88 CO 0.05 -0.58 0.51 1.03 -1.11 0.00 0.00 175.55 175.45 3hkq s ARG 89 N 0.95 4.24 0.12 -0.62 0.52 -0.07 -0.28 118.95 123.81 3hkq s ARG 89 Ca -0.03 0.56 -0.31 0.00 -0.52 0.00 0.00 55.73 55.43 3hkq s ARG 89 Cb -0.15 -3.35 -0.08 0.00 0.52 0.00 0.00 34.95 31.89 3hkq s ARG 89 CO -0.03 0.36 1.37 -1.17 0.02 0.00 0.00 175.30 175.85 3hkq s LEU 90 N -0.09 4.37 -0.02 2.53 2.96 -0.39 -1.12 118.68 126.93 3hkq s LEU 90 Ca 0.28 2.32 0.01 0.00 -0.22 0.00 0.00 54.13 56.51 3hkq s LEU 90 Cb -0.17 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.92 3hkq s LEU 90 CO 0.14 -0.63 0.01 0.00 -1.32 0.00 0.00 176.35 174.54 3hkq n ILE 91 N 3.82 0.11 -3.60 6.68 3.06 -0.29 -4.56 119.36 124.58 3hkq n ILE 91 Ca 0.11 -0.07 -0.04 0.00 -2.50 0.00 0.00 62.75 60.25 3hkq n ILE 91 Cb 0.43 -0.95 -0.02 0.00 0.54 0.00 0.00 39.64 39.64 3hkq n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3hkq s GLN 92 N -2.04 0.55 0.04 9.51 1.03 -1.22 -1.43 119.66 126.11 3hkq s GLN 92 Ca -0.01 -0.24 0.00 0.00 0.04 0.00 0.00 55.36 55.15 3hkq s GLN 92 Cb 0.00 0.23 -0.03 0.00 0.03 0.00 0.00 33.01 33.24 3hkq s GLN 92 CO 0.06 -0.25 -0.04 -0.59 -2.54 0.00 0.00 175.29 171.94 3hkq s PHE 93 N -2.69 0.46 0.34 9.60 -0.12 -0.77 -0.66 117.98 124.14 3hkq s PHE 93 Ca 0.10 -0.77 -0.15 0.00 -0.05 0.00 0.00 56.93 56.06 3hkq s PHE 93 Cb 0.00 -0.32 0.03 0.00 -0.63 0.00 0.00 43.02 42.11 3hkq s PHE 93 CO -0.05 -0.25 0.69 -3.38 -0.05 0.00 0.00 175.22 172.19 3hkq s HIS 94 N -2.57 0.21 0.25 3.49 -3.43 -0.75 -1.22 115.29 111.27 3hkq s HIS 94 Ca -0.04 -0.73 0.05 0.00 -0.80 0.00 0.00 55.06 53.53 3hkq s HIS 94 Cb -0.02 0.61 -0.05 0.00 -1.43 0.00 0.00 32.58 31.68 3hkq s HIS 94 CO -0.05 -1.37 -0.03 -0.06 -2.00 0.00 0.00 174.74 171.24 3hkq s PHE 95 N -2.99 1.72 -0.04 0.38 0.40 -1.26 -0.70 117.98 115.49 3hkq s PHE 95 Ca 0.17 -0.83 0.03 0.00 -0.60 0.00 0.00 56.93 55.70 3hkq s PHE 95 Cb -0.04 -0.99 0.00 0.00 0.51 0.00 0.00 43.02 42.50 3hkq s PHE 95 CO 0.11 0.09 -0.12 -1.01 0.70 0.00 0.00 175.22 174.99 3hkq s HIS 96 N -3.25 1.30 0.22 0.36 3.76 -0.40 -4.75 115.29 112.52 3hkq s HIS 96 Ca 0.29 -0.37 -0.08 0.00 -0.15 0.00 0.00 55.06 54.75 3hkq s HIS 96 Cb 0.05 -0.91 -0.02 0.00 1.11 0.00 0.00 32.58 32.81 3hkq s HIS 96 CO 0.10 -0.15 0.31 1.67 -0.85 0.00 0.00 174.74 175.82 3hkq s TRP 97 N 0.23 0.68 0.49 1.40 -2.14 -1.22 -1.02 118.94 117.36 3hkq s TRP 97 Ca -0.05 -0.99 0.04 0.00 2.66 0.00 0.00 56.10 57.76 3hkq s TRP 97 Cb -0.11 -0.14 0.04 0.00 -3.10 0.00 0.00 33.47 30.17 3hkq s TRP 97 CO 0.02 -0.82 0.37 0.41 -2.66 0.00 0.00 176.95 174.27 3hkq n GLY 98 N -0.31 2.76 0.04 3.67 0.00 -1.13 -0.77 105.19 109.45 3hkq n GLY 98 Ca -0.01 -2.28 0.12 0.00 0.00 0.00 0.00 46.02 43.84 3hkq n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hkq n SER 99 N -1.86 0.64 -4.08 1.61 3.41 -1.26 -4.35 113.62 107.72 3hkq n SER 99 Ca -0.01 -0.07 -0.10 0.00 -0.26 0.00 0.00 58.87 58.43 3hkq n SER 99 Cb 0.55 0.42 -0.11 0.00 -0.26 0.00 0.00 64.21 64.82 3hkq n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hkq s LEU 100 N -3.91 2.39 0.53 1.04 1.43 -1.26 -5.05 118.68 113.84 3hkq s LEU 100 Ca 0.06 -0.79 0.35 0.00 -1.03 0.00 0.00 54.13 52.72 3hkq s LEU 100 Cb 0.14 0.02 1.72 0.00 0.03 0.00 0.00 46.19 48.10 3hkq s LEU 100 CO 0.75 -0.41 2.06 0.44 0.23 0.00 0.00 176.35 179.42 3hkq h ASP 101 N 3.73 0.00 -0.13 2.29 3.32 -1.92 -2.77 116.42 120.95 3hkq h ASP 101 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3hkq h ASP 101 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3hkq h ASP 101 CO 0.54 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.67 3hkq n GLY 102 N -0.60 -0.24 3.39 2.75 0.00 -1.26 -3.46 105.19 105.77 3hkq n GLY 102 Ca -0.01 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 3hkq n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hkq s GLN 103 N -1.84 1.19 0.00 1.61 -2.07 -1.04 -4.64 119.66 112.87 3hkq s GLN 103 Ca 0.24 -0.80 0.00 0.00 -1.82 0.00 0.00 55.36 52.98 3hkq s GLN 103 Cb 0.12 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.52 3hkq s GLN 103 CO 0.18 -0.48 0.00 0.41 -1.32 0.00 0.00 175.29 174.08 3hkq n GLY 104 N -0.27 2.39 3.84 2.60 0.00 -1.02 -3.16 105.19 109.56 3hkq n GLY 104 Ca -0.13 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 3hkq n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hkq s SER 105 N 0.00 5.82 -0.20 1.61 1.04 -0.62 -3.41 113.70 117.95 3hkq s SER 105 Ca 0.00 1.56 -0.16 0.00 0.48 0.00 0.00 55.95 57.83 3hkq s SER 105 Cb 0.00 -2.49 -0.12 0.00 0.10 0.00 0.00 66.02 63.51 3hkq s SER 105 CO 0.00 -1.14 -0.05 -0.62 0.98 0.00 0.00 173.24 172.41 3hkq n GLU 106 N -2.76 0.53 -2.13 4.02 1.02 -1.26 -4.82 120.64 115.23 3hkq n GLU 106 Ca 0.07 0.48 -0.32 0.00 -0.02 0.00 0.00 57.16 57.37 3hkq n GLU 106 Cb 0.54 -1.66 -0.01 0.00 -0.02 0.00 0.00 31.44 30.29 3hkq n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3hkq s HIS 107 N -2.40 3.27 0.16 -0.32 3.76 -1.26 -4.30 115.29 114.20 3hkq s HIS 107 Ca -0.26 1.46 0.06 0.00 -0.15 0.00 0.00 55.06 56.17 3hkq s HIS 107 Cb 0.06 -2.87 -0.04 0.00 1.11 0.00 0.00 32.58 30.83 3hkq s HIS 107 CO 0.45 -0.76 -0.13 0.95 -0.85 0.00 0.00 174.74 174.40 3hkq s THR 108 N -2.66 1.42 -0.24 1.30 -4.23 -1.19 -4.69 115.64 105.34 3hkq s THR 108 Ca 0.60 -2.04 0.02 0.00 -1.18 0.00 0.00 61.69 59.09 3hkq s THR 108 Cb -0.13 -1.85 0.06 0.00 1.34 0.00 0.00 72.50 71.92 3hkq s THR 108 CO 0.38 -0.62 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.05 3hkq s VAL 109 N -2.93 1.96 -1.47 2.29 1.01 -0.73 -0.45 120.40 120.08 3hkq s VAL 109 Ca 0.17 -1.44 -0.10 0.00 0.00 0.00 0.00 61.98 60.60 3hkq s VAL 109 Cb -0.00 -2.09 0.06 0.00 0.00 0.00 0.00 36.38 34.35 3hkq s VAL 109 CO 0.03 -0.00 0.94 0.47 0.00 0.00 0.00 175.10 176.55 3hkq n ASP 110 N 4.52 -4.16 0.00 3.32 8.00 -0.13 -0.78 116.55 127.31 3hkq n ASP 110 Ca -0.14 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.59 3hkq n ASP 110 Cb 0.43 -4.03 0.00 0.00 -0.02 0.00 0.00 41.12 37.50 3hkq n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hkq n LYS 111 N -4.63 0.00 -2.52 -1.24 4.76 -1.26 -4.99 118.16 108.28 3hkq n LYS 111 Ca -0.04 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.98 3hkq n LYS 111 Cb 0.56 -2.89 -0.03 0.00 -1.84 0.00 0.00 35.03 30.83 3hkq n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3hkq s LYS 112 N -0.23 4.46 -0.14 1.97 2.20 0.04 -5.00 119.74 123.04 3hkq s LYS 112 Ca 0.00 1.64 -0.07 0.00 -0.36 0.00 0.00 55.97 57.18 3hkq s LYS 112 Cb 0.00 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 3hkq s LYS 112 CO 0.00 -0.22 0.12 0.15 -0.36 0.00 0.00 175.35 175.04 3hkq s LYS 113 N 1.19 3.63 0.46 4.03 1.02 -1.26 -1.78 119.74 127.03 3hkq s LYS 113 Ca 0.56 -0.19 0.05 0.00 0.02 0.00 0.00 55.97 56.41 3hkq s LYS 113 Cb -0.26 -3.22 0.02 0.00 -0.52 0.00 0.00 37.83 33.85 3hkq s LYS 113 CO 0.28 0.61 0.63 0.71 -0.92 0.00 0.00 175.35 176.67 3hkq s TYR 114 N -0.56 2.88 0.37 3.18 2.02 -1.26 -4.59 117.35 119.40 3hkq s TYR 114 Ca 0.12 -0.21 0.16 0.00 -0.37 0.00 0.00 57.07 56.77 3hkq s TYR 114 Cb -0.12 -2.46 0.89 0.00 -0.40 0.00 0.00 41.96 39.87 3hkq s TYR 114 CO 0.02 -0.53 1.89 0.00 -1.57 0.00 0.00 175.55 175.36 3hkq h ALA 115 N 0.46 1.39 -2.60 3.71 0.00 -1.45 -1.56 119.26 119.21 3hkq h ALA 115 Ca -0.42 -0.27 0.13 0.00 0.00 0.00 0.00 54.91 54.35 3hkq h ALA 115 Cb 1.28 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 3hkq h ALA 115 CO 0.49 0.37 0.42 0.00 0.00 0.00 0.00 179.25 180.53 3hkq s ALA 116 N -4.22 -1.43 -0.08 0.00 0.00 -1.16 -2.83 121.76 112.04 3hkq s ALA 116 Ca -0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.73 3hkq s ALA 116 Cb 0.14 0.71 0.04 0.00 0.00 0.00 0.00 23.12 24.01 3hkq s ALA 116 CO 0.69 -1.04 0.19 -2.00 0.00 0.00 0.00 175.76 173.61 3hkq s GLU 117 N -3.12 0.16 -0.13 0.00 2.12 -0.19 -1.42 118.70 116.12 3hkq s GLU 117 Ca 0.14 0.42 -0.11 0.00 0.36 0.00 0.00 54.97 55.78 3hkq s GLU 117 Cb -0.03 -0.11 -0.05 0.00 0.26 0.00 0.00 34.13 34.20 3hkq s GLU 117 CO 0.05 -0.14 0.23 -1.17 -0.54 0.00 0.00 175.26 173.69 3hkq s LEU 118 N 1.05 4.32 -0.19 2.70 2.96 0.77 -1.27 118.68 129.02 3hkq s LEU 118 Ca -0.08 0.52 0.01 0.00 -0.22 0.00 0.00 54.13 54.36 3hkq s LEU 118 Cb -0.10 -2.26 0.03 0.00 0.50 0.00 0.00 46.19 44.37 3hkq s LEU 118 CO -0.06 0.25 -0.14 -1.00 -1.32 0.00 0.00 176.35 174.08 3hkq s HIS 119 N -0.27 2.53 -0.38 5.38 3.76 0.13 -0.89 115.29 125.55 3hkq s HIS 119 Ca 0.16 -1.58 -0.13 0.00 -0.15 0.00 0.00 55.06 53.36 3hkq s HIS 119 Cb -0.13 -1.73 0.02 0.00 1.11 0.00 0.00 32.58 31.85 3hkq s HIS 119 CO 0.04 -0.75 0.24 -0.51 -0.85 0.00 0.00 174.74 172.91 3hkq s LEU 120 N 1.36 4.82 -0.14 0.89 1.43 -0.26 -1.81 118.68 124.97 3hkq s LEU 120 Ca 0.01 -0.88 -0.18 0.00 -1.03 0.00 0.00 54.13 52.05 3hkq s LEU 120 Cb -0.15 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 3hkq s LEU 120 CO -0.10 -0.39 0.48 -0.69 0.23 0.00 0.00 176.35 175.89 3hkq s VAL 121 N 1.62 5.17 0.06 -1.59 1.01 0.17 -1.26 120.40 125.57 3hkq s VAL 121 Ca 0.04 0.94 0.05 0.00 0.00 0.00 0.00 61.98 63.01 3hkq s VAL 121 Cb -0.19 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3hkq s VAL 121 CO 0.08 0.29 -0.15 -1.00 0.00 0.00 0.00 175.10 174.33 3hkq s HIS 122 N 0.87 1.28 0.07 5.22 3.76 -0.32 -1.14 115.29 125.03 3hkq s HIS 122 Ca 0.25 -0.40 0.10 0.00 -0.15 0.00 0.00 55.06 54.86 3hkq s HIS 122 Cb -0.15 -0.74 -0.03 0.00 1.11 0.00 0.00 32.58 32.77 3hkq s HIS 122 CO 0.10 0.06 -0.26 1.67 -0.85 0.00 0.00 174.74 175.46 3hkq s TRP 123 N -1.03 2.24 -0.17 1.40 1.48 -0.28 -1.13 118.94 121.46 3hkq s TRP 123 Ca 0.01 -0.40 -0.29 0.00 -1.06 0.00 0.00 56.10 54.36 3hkq s TRP 123 Cb -0.09 -1.30 -0.04 0.00 -1.16 0.00 0.00 33.47 30.89 3hkq s TRP 123 CO 0.02 0.19 1.69 1.21 -4.06 0.00 0.00 176.95 176.00 3hkq s ASN 124 N -1.53 6.37 0.61 -2.66 3.84 0.75 -0.89 114.94 121.43 3hkq s ASN 124 Ca 0.12 1.83 0.34 0.00 0.21 0.00 0.00 52.86 55.36 3hkq s ASN 124 Cb -0.10 -2.53 1.97 0.00 -0.55 0.00 0.00 41.25 40.04 3hkq s ASN 124 CO 0.03 -1.24 2.27 0.71 -2.79 0.00 0.00 177.10 176.09 3hkq h THR 125 N 6.08 0.36 0.00 -5.21 1.35 -1.59 -2.28 112.91 111.61 3hkq h THR 125 Ca -0.36 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 3hkq h THR 125 Cb 1.17 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3hkq h THR 125 CO 0.98 0.01 0.00 0.07 -0.25 0.00 0.00 175.52 176.34 3hkq h LYS 126 N 0.00 0.00 -0.32 4.72 2.10 -1.91 -2.18 116.57 118.98 3hkq h LYS 126 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hkq h LYS 126 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 3hkq h LYS 126 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 3hkq n TYR 127 N -2.78 0.42 0.00 0.07 4.01 -0.86 -5.00 117.16 113.03 3hkq n TYR 127 Ca -0.02 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 3hkq n TYR 127 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 3hkq n TYR 127 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hkq n GLY 128 N 1.38 1.56 3.43 2.72 0.00 -0.82 -4.54 105.19 108.91 3hkq n GLY 128 Ca 0.18 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 3hkq n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3hkq s ASP 129 N 0.00 -0.18 0.21 1.61 1.47 -1.26 -5.06 116.67 113.46 3hkq s ASP 129 Ca 0.00 -0.53 -0.09 0.00 1.18 0.00 0.00 52.55 53.11 3hkq s ASP 129 Cb 0.00 0.52 0.28 0.00 -0.34 0.00 0.00 42.92 43.38 3hkq s ASP 129 CO 0.00 -0.96 1.77 0.15 0.68 0.00 0.00 175.17 176.80 3hkq h PHE 130 N 2.32 0.51 -0.95 2.11 3.57 -1.94 -1.84 116.94 120.73 3hkq h PHE 130 Ca -0.31 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.32 3hkq h PHE 130 Cb 1.25 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.79 3hkq h PHE 130 CO 0.36 0.18 0.61 0.78 -2.23 0.00 0.00 178.31 178.01 3hkq h GLY 131 N 0.51 1.45 1.42 2.40 0.00 -1.97 -1.89 103.07 104.98 3hkq h GLY 131 Ca 0.31 -0.41 -0.25 0.00 0.00 0.00 0.00 47.33 46.98 3hkq h GLY 131 CO -0.27 0.23 -1.02 0.50 0.00 0.00 0.00 176.54 175.98 3hkq h LYS 132 N 0.99 0.51 -0.96 4.80 1.79 -1.73 -3.32 116.57 118.66 3hkq h LYS 132 Ca 0.44 -0.58 0.02 0.00 -2.18 0.00 0.00 60.65 58.35 3hkq h LYS 132 Cb 0.37 0.17 -0.05 0.00 -1.58 0.00 0.00 32.23 31.14 3hkq h LYS 132 CO -0.20 1.21 0.63 0.00 -1.08 0.00 0.00 179.45 180.01 3hkq h ALA 133 N 0.58 1.24 0.00 3.86 0.00 -0.60 -2.13 119.26 122.21 3hkq h ALA 133 Ca -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hkq h ALA 133 Cb 1.67 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3hkq h ALA 133 CO 0.19 0.57 0.00 1.33 0.00 0.00 0.00 179.25 181.34 3hkq n VAL 134 N -4.44 0.98 0.25 0.00 0.24 -0.80 -1.31 118.33 113.25 3hkq n VAL 134 Ca 0.12 0.24 0.11 0.00 -2.04 0.00 0.00 64.34 62.77 3hkq n VAL 134 Cb 0.04 -1.05 0.27 0.00 -1.47 0.00 0.00 33.84 31.63 3hkq n VAL 134 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hkq n GLN 135 N -1.40 2.38 -4.90 7.34 6.02 -0.80 -4.67 117.38 121.35 3hkq n GLN 135 Ca 0.04 -2.13 -0.30 0.00 -0.01 0.00 0.00 57.00 54.60 3hkq n GLN 135 Cb 0.11 -1.48 -0.14 0.00 1.02 0.00 0.00 30.24 29.75 3hkq n GLN 135 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3hkq s GLN 136 N -1.35 1.89 0.60 -1.09 -1.52 -0.43 -5.03 119.66 112.74 3hkq s GLN 136 Ca 0.40 -1.07 0.32 0.00 -1.95 0.00 0.00 55.36 53.07 3hkq s GLN 136 Cb 0.22 -2.03 1.92 0.00 -0.22 0.00 0.00 33.01 32.89 3hkq s GLN 136 CO 0.29 0.52 2.27 -1.00 -0.25 0.00 0.00 175.29 177.12 3hkq h PRO 137 N 4.83 0.00 -0.44 2.91 0.13 -1.85 -2.08 132.00 135.49 3hkq h PRO 137 Ca -0.46 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.34 3hkq h PRO 137 Cb 1.14 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.99 3hkq h PRO 137 CO 0.45 0.01 -0.75 -0.40 -0.23 0.00 0.00 178.00 177.07 3hkq n ASP 138 N -3.69 3.40 0.09 1.44 5.75 -1.26 -4.21 116.55 118.06 3hkq n ASP 138 Ca -0.03 -3.56 -0.11 0.00 -0.01 0.00 0.00 54.79 51.07 3hkq n ASP 138 Cb 0.09 -0.41 -0.08 0.00 -1.03 0.00 0.00 41.12 39.69 3hkq n ASP 138 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3hkq h GLY 139 N 1.77 0.21 -3.11 6.12 0.00 -1.18 -3.43 103.07 103.46 3hkq h GLY 139 Ca 0.18 -0.47 -0.52 0.00 0.00 0.00 0.00 47.33 46.51 3hkq h GLY 139 CO 0.43 0.41 -0.78 1.08 0.00 0.00 0.00 176.54 177.69 3hkq s LEU 140 N -7.18 2.46 -0.08 3.11 1.43 0.27 -0.18 118.68 118.52 3hkq s LEU 140 Ca -0.03 -0.90 -0.01 0.00 -1.03 0.00 0.00 54.13 52.17 3hkq s LEU 140 Cb 0.09 -0.84 0.03 0.00 0.03 0.00 0.00 46.19 45.49 3hkq s LEU 140 CO 0.85 -0.04 -0.02 0.00 0.23 0.00 0.00 176.35 177.37 3hkq s ALA 141 N -2.19 0.84 -0.14 4.21 0.00 -0.28 -0.97 121.76 123.23 3hkq s ALA 141 Ca 0.18 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.93 3hkq s ALA 141 Cb -0.05 -0.77 -0.00 0.00 0.00 0.00 0.00 23.12 22.29 3hkq s ALA 141 CO 0.07 -0.43 -0.16 0.08 0.00 0.00 0.00 175.76 175.32 3hkq s VAL 142 N 1.87 2.64 -0.30 0.00 1.01 -0.88 -1.17 120.40 123.57 3hkq s VAL 142 Ca 0.04 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 3hkq s VAL 142 Cb -0.12 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 3hkq s VAL 142 CO -0.06 0.53 0.43 -0.22 0.00 0.00 0.00 175.10 175.78 3hkq s LEU 143 N 0.60 4.18 -0.16 3.92 2.96 -0.39 -1.54 118.68 128.25 3hkq s LEU 143 Ca -0.09 0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 53.92 3hkq s LEU 143 Cb -0.16 -2.50 -0.04 0.00 0.50 0.00 0.00 46.19 44.00 3hkq s LEU 143 CO 0.03 -0.30 0.04 -0.83 -1.32 0.00 0.00 176.35 173.97 3hkq s GLY 144 N 1.67 1.88 -0.09 7.98 0.00 0.27 -1.10 107.32 117.93 3hkq s GLY 144 Ca 0.17 -0.76 0.01 0.00 0.00 0.00 0.00 44.72 44.14 3hkq s GLY 144 CO 0.11 -0.08 -0.12 -0.42 0.00 0.00 0.00 173.10 172.59 3hkq s ILE 145 N 0.10 1.21 0.38 0.90 -1.09 -0.07 -1.29 121.20 121.34 3hkq s ILE 145 Ca 0.04 -0.47 -0.23 0.00 -2.23 0.00 0.00 60.65 57.75 3hkq s ILE 145 Cb -0.12 -1.13 -0.10 0.00 -1.58 0.00 0.00 42.46 39.52 3hkq s ILE 145 CO 0.01 0.38 0.94 -0.36 -1.23 0.00 0.00 174.94 174.68 3hkq s PHE 146 N 1.04 3.49 -0.07 3.97 0.08 -1.26 -0.16 117.98 125.05 3hkq s PHE 146 Ca -0.07 1.68 0.05 0.00 0.12 0.00 0.00 56.93 58.71 3hkq s PHE 146 Cb -0.15 -2.87 -0.01 0.00 -0.57 0.00 0.00 43.02 39.42 3hkq s PHE 146 CO -0.01 0.04 -0.24 -0.51 -0.10 0.00 0.00 175.22 174.40 3hkq s LEU 147 N -2.66 2.11 0.15 -0.37 1.02 -0.50 -0.77 118.68 117.65 3hkq s LEU 147 Ca 0.56 -0.52 0.10 0.00 0.02 0.00 0.00 54.13 54.29 3hkq s LEU 147 Cb -0.13 -1.40 -0.04 0.00 0.02 0.00 0.00 46.19 44.64 3hkq s LEU 147 CO 0.18 0.22 -0.22 -1.59 0.02 0.00 0.00 176.35 174.96 3hkq s LYS 148 N 0.00 1.33 -0.16 1.70 -2.85 -0.57 -2.07 119.74 117.12 3hkq s LYS 148 Ca -0.09 -1.37 -0.25 0.00 -1.00 0.00 0.00 55.97 53.26 3hkq s LYS 148 Cb -0.15 -1.60 -0.02 0.00 -2.06 0.00 0.00 37.83 34.00 3hkq s LYS 148 CO 0.05 0.35 0.83 0.08 0.10 0.00 0.00 175.35 176.77 3hkq s VAL 149 N -1.54 4.89 0.00 1.79 1.01 -1.26 -1.22 120.40 124.07 3hkq s VAL 149 Ca 0.15 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.76 3hkq s VAL 149 Cb -0.08 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.16 3hkq s VAL 149 CO 0.07 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.82 3hkq n GLY 150 N 3.42 1.34 3.87 4.51 0.00 0.99 -4.88 105.19 114.44 3hkq n GLY 150 Ca 0.04 0.37 -0.31 0.00 0.00 0.00 0.00 46.02 46.13 3hkq n GLY 150 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hkq s SER 151 N 2.00 6.08 0.57 1.61 1.04 -1.26 -4.00 113.70 119.75 3hkq s SER 151 Ca 0.00 1.34 -0.18 0.00 0.48 0.00 0.00 55.95 57.59 3hkq s SER 151 Cb 0.00 -2.36 -0.04 0.00 0.10 0.00 0.00 66.02 63.72 3hkq s SER 151 CO 0.00 -0.94 1.11 0.00 0.98 0.00 0.00 173.24 174.38 3hkq s ALA 152 N -3.19 2.66 -0.40 5.32 0.00 -1.26 -2.26 121.76 122.62 3hkq s ALA 152 Ca 0.55 0.69 -0.09 0.00 0.00 0.00 0.00 51.96 53.11 3hkq s ALA 152 Cb -0.11 -3.33 0.06 0.00 0.00 0.00 0.00 23.12 19.75 3hkq s ALA 152 CO 0.53 -0.86 0.23 0.21 0.00 0.00 0.00 175.76 175.87 3hkq s LYS 153 N -3.56 2.64 0.19 0.00 2.47 -1.22 -4.83 119.74 115.43 3hkq s LYS 153 Ca 0.70 -1.35 -0.16 0.00 -1.56 0.00 0.00 55.97 53.60 3hkq s LYS 153 Cb -0.21 -3.73 0.17 0.00 -1.46 0.00 0.00 37.83 32.60 3hkq s LYS 153 CO 0.31 -0.87 1.63 -1.35 0.16 0.00 0.00 175.35 175.23 3hkq h PRO 154 N 8.38 -0.03 0.00 4.03 0.11 -1.91 -0.57 132.00 142.01 3hkq h PRO 154 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3hkq h PRO 154 Cb 1.09 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3hkq h PRO 154 CO 0.72 -0.02 0.00 0.41 -0.21 0.00 0.00 178.00 178.90 3hkq n GLY 155 N -1.39 -0.88 0.05 -0.55 0.00 -1.25 -2.06 105.19 99.10 3hkq n GLY 155 Ca 0.05 0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.35 3hkq n GLY 155 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hkq n LEU 156 N -2.21 0.31 0.01 0.99 7.94 -0.24 -4.39 117.00 119.41 3hkq n LEU 156 Ca -0.01 0.12 0.10 0.00 -1.11 0.00 0.00 56.01 55.11 3hkq n LEU 156 Cb 0.05 0.01 0.53 0.00 0.53 0.00 0.00 43.42 44.54 3hkq n LEU 156 CO 0.10 -0.03 1.16 -0.61 -1.11 0.00 0.00 177.39 176.90 3hkq h GLN 157 N 0.00 0.32 -0.54 1.96 5.75 -1.23 -0.75 115.11 120.61 3hkq h GLN 157 Ca -0.03 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 3hkq h GLN 157 Cb 1.08 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.54 3hkq h GLN 157 CO 0.00 0.21 0.14 -0.22 -2.65 0.00 0.00 178.83 176.31 3hkq h LYS 158 N 0.33 0.83 -0.21 1.69 3.64 -1.77 0.61 116.57 121.69 3hkq h LYS 158 Ca 0.19 -0.17 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 3hkq h LYS 158 Cb 0.35 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3hkq h LYS 158 CO -0.04 0.74 -0.28 0.28 -2.27 0.00 0.00 179.45 177.87 3hkq h VAL 159 N 0.80 1.33 -0.54 2.00 2.07 -1.44 -3.15 116.25 117.31 3hkq h VAL 159 Ca 0.18 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 3hkq h VAL 159 Cb 0.29 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 3hkq h VAL 159 CO -0.00 0.46 0.24 0.58 0.02 0.00 0.00 177.57 178.86 3hkq h VAL 160 N 0.25 1.19 0.00 2.57 2.07 -0.88 -2.69 116.25 118.75 3hkq h VAL 160 Ca 0.02 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 3hkq h VAL 160 Cb 0.86 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3hkq h VAL 160 CO 0.07 0.23 -0.08 0.44 0.02 0.00 0.00 177.57 178.24 3hkq h ASP 161 N 0.76 0.00 -0.02 0.57 3.32 -0.85 -3.07 116.42 117.14 3hkq h ASP 161 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3hkq h ASP 161 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3hkq h ASP 161 CO -0.02 0.08 -0.37 0.55 -1.72 0.00 0.00 179.24 177.76 3hkq n VAL 162 N -3.38 0.00 0.27 -1.35 3.14 -1.02 -4.50 118.33 111.50 3hkq n VAL 162 Ca -0.01 -0.31 0.11 0.00 -2.96 0.00 0.00 64.34 61.17 3hkq n VAL 162 Cb 0.25 1.29 0.76 0.00 -1.06 0.00 0.00 33.84 35.08 3hkq n VAL 162 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3hkq h LEU 163 N 2.71 0.00 -1.71 6.55 3.38 -1.50 -1.68 115.31 123.06 3hkq h LEU 163 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3hkq h LEU 163 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3hkq h LEU 163 CO 0.00 0.03 -0.18 0.44 0.09 0.00 0.00 178.44 178.82 3hkq h ASP 164 N 0.00 0.00 0.69 -0.43 3.32 -1.81 -2.42 116.42 115.77 3hkq h ASP 164 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hkq h ASP 164 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3hkq h ASP 164 CO 0.00 0.18 -0.06 -1.54 -1.72 0.00 0.00 179.24 176.11 3hkq n SER 165 N -3.94 0.11 -2.63 6.45 3.41 -0.63 -3.80 113.62 112.58 3hkq n SER 165 Ca -0.02 0.02 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 3hkq n SER 165 Cb 0.27 -0.29 0.03 0.00 -0.26 0.00 0.00 64.21 63.96 3hkq n SER 165 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3hkq n ILE 166 N -1.33 1.46 -0.30 -1.33 -5.35 -0.92 -4.67 119.36 106.92 3hkq n ILE 166 Ca 0.11 -3.35 0.02 0.00 -0.27 0.00 0.00 62.75 59.25 3hkq n ILE 166 Cb 0.29 0.49 0.22 0.00 -1.74 0.00 0.00 39.64 38.90 3hkq n ILE 166 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3hkq h LYS 167 N 2.68 1.06 -6.24 6.28 3.64 -1.63 -3.43 116.57 118.93 3hkq h LYS 167 Ca -0.01 -0.06 -0.57 0.00 -1.27 0.00 0.00 60.65 58.74 3hkq h LYS 167 Cb 1.24 -0.24 -0.10 0.00 -0.41 0.00 0.00 32.23 32.72 3hkq h LYS 167 CO 0.44 0.70 -0.65 0.95 -2.27 0.00 0.00 179.45 178.62 3hkq s THR 168 N -5.94 3.48 0.14 1.00 -4.23 -1.26 -0.51 115.64 108.32 3hkq s THR 168 Ca -0.12 -1.83 -0.35 0.00 -1.18 0.00 0.00 61.69 58.22 3hkq s THR 168 Cb 0.19 -2.84 -0.15 0.00 1.34 0.00 0.00 72.50 71.04 3hkq s THR 168 CO 0.80 -0.32 1.50 1.17 -0.54 0.00 0.00 174.62 177.22 3hkq n LYS 169 N -0.74 1.83 0.00 3.99 4.81 -0.56 -2.00 118.16 125.49 3hkq n LYS 169 Ca -0.07 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 3hkq n LYS 169 Cb 0.58 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.25 3hkq n LYS 169 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hkq n GLY 170 N 3.10 3.44 3.76 3.14 0.00 0.13 -4.46 105.19 114.29 3hkq n GLY 170 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3hkq n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkq s LYS 171 N -0.87 4.57 0.02 1.61 -0.14 -0.84 -4.85 119.74 119.24 3hkq s LYS 171 Ca 0.00 1.78 -0.03 0.00 -1.36 0.00 0.00 55.97 56.37 3hkq s LYS 171 Cb 0.00 -3.11 -0.02 0.00 -1.68 0.00 0.00 37.83 33.02 3hkq s LYS 171 CO 0.00 0.16 0.03 -1.54 -0.76 0.00 0.00 175.35 173.24 3hkq s SER 172 N -0.95 0.20 0.05 2.83 1.04 -1.26 -1.16 113.70 114.46 3hkq s SER 172 Ca 0.46 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 56.42 3hkq s SER 172 Cb -0.31 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 65.93 3hkq s SER 172 CO 0.40 -0.38 -0.05 0.00 0.98 0.00 0.00 173.24 174.19 3hkq s ALA 173 N -1.84 0.57 0.34 5.32 0.00 -0.19 -4.97 121.76 121.00 3hkq s ALA 173 Ca -0.12 -0.98 -0.28 0.00 0.00 0.00 0.00 51.96 50.58 3hkq s ALA 173 Cb -0.06 0.15 -0.10 0.00 0.00 0.00 0.00 23.12 23.10 3hkq s ALA 173 CO -0.02 -0.18 1.31 -0.51 0.00 0.00 0.00 175.76 176.36 3hkq s ASP 174 N -2.23 6.69 -0.43 0.00 1.01 -1.26 -1.35 116.67 119.09 3hkq s ASP 174 Ca -0.02 2.69 0.07 0.00 0.71 0.00 0.00 52.55 56.00 3hkq s ASP 174 Cb -0.02 -2.65 0.26 0.00 1.01 0.00 0.00 42.92 41.52 3hkq s ASP 174 CO -0.04 -0.59 0.71 0.33 0.21 0.00 0.00 175.17 175.80 3hkq n PHE 175 N 0.68 -1.62 -3.14 4.23 7.35 -0.77 -4.75 117.46 119.44 3hkq n PHE 175 Ca 0.01 -2.80 -0.23 0.00 -0.76 0.00 0.00 57.45 53.66 3hkq n PHE 175 Cb 0.42 0.50 0.00 0.00 0.35 0.00 0.00 39.48 40.75 3hkq n PHE 175 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3hkq s THR 176 N -0.47 4.40 -1.46 -2.13 -4.23 -1.26 -3.13 115.64 107.36 3hkq s THR 176 Ca 0.33 -0.50 -0.09 0.00 -1.18 0.00 0.00 61.69 60.26 3hkq s THR 176 Cb 0.21 -3.61 0.03 0.00 1.34 0.00 0.00 72.50 70.47 3hkq s THR 176 CO -0.16 -0.41 0.86 0.59 -0.54 0.00 0.00 174.62 174.96 3hkq n ASN 177 N -1.96 -5.66 -4.79 3.99 4.13 -1.26 -4.96 115.26 104.75 3hkq n ASN 177 Ca -0.01 -0.48 -0.36 0.00 1.68 0.00 0.00 54.58 55.41 3hkq n ASN 177 Cb 0.57 -4.53 -0.07 0.00 -1.54 0.00 0.00 39.78 34.21 3hkq n ASN 177 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3hkq s PHE 178 N -3.22 3.51 -0.43 3.10 5.36 -1.26 -5.02 117.98 120.01 3hkq s PHE 178 Ca 0.49 0.49 -0.15 0.00 -0.96 0.00 0.00 56.93 56.80 3hkq s PHE 178 Cb -0.23 -2.13 0.04 0.00 -0.34 0.00 0.00 43.02 40.37 3hkq s PHE 178 CO 0.60 0.46 0.33 0.34 -1.46 0.00 0.00 175.22 175.49 3hkq s ASP 179 N -0.19 6.08 0.44 6.13 -1.08 -1.26 -4.44 116.67 122.35 3hkq s ASP 179 Ca 0.13 -1.10 0.31 0.00 -0.52 0.00 0.00 52.55 51.37 3hkq s ASP 179 Cb -0.12 -2.15 1.44 0.00 -1.46 0.00 0.00 42.92 40.62 3hkq s ASP 179 CO 0.02 -0.52 1.92 1.55 0.52 0.00 0.00 175.17 178.66 3hkq h PRO 180 N 8.65 0.00 0.00 4.34 0.13 -1.95 -2.68 132.00 140.50 3hkq h PRO 180 Ca -0.27 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3hkq h PRO 180 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 3hkq h PRO 180 CO 0.78 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 178.54 3hkq h ARG 181 N 0.00 0.00 0.00 0.86 3.08 -1.92 -1.30 114.38 115.09 3hkq h ARG 181 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hkq h ARG 181 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3hkq h ARG 181 CO 0.00 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 3hkq n GLY 182 N -0.98 -0.89 0.53 0.04 0.00 -1.01 -2.95 105.19 99.93 3hkq n GLY 182 Ca -0.03 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 45.91 3hkq n GLY 182 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hkq n LEU 183 N -1.03 2.04 -4.82 0.99 4.77 -0.49 -3.89 117.00 114.56 3hkq n LEU 183 Ca 0.20 -0.89 -0.37 0.00 -0.03 0.00 0.00 56.01 54.92 3hkq n LEU 183 Cb 0.11 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 3hkq n LEU 183 CO 0.16 0.37 0.32 -0.76 -1.33 0.00 0.00 177.39 176.15 3hkq s LEU 184 N -1.73 4.43 0.98 2.23 1.43 -1.15 -4.95 118.68 119.93 3hkq s LEU 184 Ca 0.17 1.28 -0.15 0.00 -1.03 0.00 0.00 54.13 54.40 3hkq s LEU 184 Cb 0.14 -3.23 0.19 0.00 0.03 0.00 0.00 46.19 43.32 3hkq s LEU 184 CO 0.31 0.15 1.22 -2.16 0.23 0.00 0.00 176.35 176.10 3hkq s PRO 185 N -1.60 0.51 0.06 1.29 0.04 -1.26 -4.98 135.00 129.05 3hkq s PRO 185 Ca 0.36 -0.13 -0.22 0.00 0.04 0.00 0.00 61.00 61.04 3hkq s PRO 185 Cb -0.18 -1.80 -0.14 0.00 0.04 0.00 0.00 34.50 32.42 3hkq s PRO 185 CO 0.20 -2.55 1.54 0.93 0.04 0.00 0.00 177.00 177.17 3hkq h GLU 186 N -1.74 0.16 -6.30 4.56 5.08 -1.92 -3.44 114.58 110.98 3hkq h GLU 186 Ca -0.46 -0.04 -0.56 0.00 -1.00 0.00 0.00 59.36 57.30 3hkq h GLU 186 Cb 1.28 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 3hkq h GLU 186 CO 0.45 0.33 -0.10 0.45 -1.00 0.00 0.00 179.01 179.15 3hkq s SER 187 N -5.57 6.81 -0.17 1.42 0.15 -1.26 -5.00 113.70 110.09 3hkq s SER 187 Ca -0.14 1.05 0.16 0.00 0.70 0.00 0.00 55.95 57.72 3hkq s SER 187 Cb 0.05 -2.28 0.57 0.00 -1.71 0.00 0.00 66.02 62.66 3hkq s SER 187 CO 0.69 0.12 1.48 0.18 1.20 0.00 0.00 173.24 176.91 3hkq n LEU 188 N 0.86 4.19 -4.76 3.45 4.77 -1.26 -4.73 117.00 119.51 3hkq n LEU 188 Ca -0.06 -2.90 -0.39 0.00 -0.03 0.00 0.00 56.01 52.64 3hkq n LEU 188 Cb 0.52 -0.55 0.02 0.00 -2.33 0.00 0.00 43.42 41.08 3hkq n LEU 188 CO 0.42 0.68 1.00 -1.81 -1.33 0.00 0.00 177.39 176.35 3hkq s ASP 189 N -1.61 5.79 0.26 -1.43 1.01 -1.26 -4.92 116.67 114.51 3hkq s ASP 189 Ca 0.43 2.77 -0.13 0.00 0.71 0.00 0.00 52.55 56.33 3hkq s ASP 189 Cb 0.34 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.63 3hkq s ASP 189 CO 0.11 -1.22 0.51 -0.72 0.21 0.00 0.00 175.17 174.06 3hkq s TYR 190 N -1.28 0.36 0.14 4.23 -0.85 -1.26 -1.38 117.35 117.31 3hkq s TYR 190 Ca 0.64 -0.73 0.10 0.00 -0.52 0.00 0.00 57.07 56.56 3hkq s TYR 190 Cb -0.40 0.24 -0.04 0.00 0.38 0.00 0.00 41.96 42.13 3hkq s TYR 190 CO 0.50 -1.04 -0.22 -1.58 -1.52 0.00 0.00 175.55 171.68 3hkq s TRP 191 N -3.88 2.41 -0.03 -3.49 0.51 -0.02 -0.95 118.94 113.48 3hkq s TRP 191 Ca 0.22 -0.33 -0.07 0.00 -2.12 0.00 0.00 56.10 53.80 3hkq s TRP 191 Cb -0.01 -1.27 0.01 0.00 -0.81 0.00 0.00 33.47 31.39 3hkq s TRP 191 CO 0.10 0.39 0.16 -0.08 -0.51 0.00 0.00 176.95 177.00 3hkq s THR 192 N -1.22 0.05 0.10 2.01 -1.32 0.39 -0.73 115.64 114.92 3hkq s THR 192 Ca 0.17 -0.41 -0.25 0.00 -1.21 0.00 0.00 61.69 59.99 3hkq s THR 192 Cb -0.10 -0.36 0.08 0.00 -1.51 0.00 0.00 72.50 70.60 3hkq s THR 192 CO 0.08 -0.22 0.66 -0.72 -2.21 0.00 0.00 174.62 172.21 3hkq s TYR 193 N -0.79 -0.52 -0.10 9.09 1.13 -1.02 -1.28 117.35 123.85 3hkq s TYR 193 Ca -0.09 0.43 -0.27 0.00 -1.41 0.00 0.00 57.07 55.74 3hkq s TYR 193 Cb -0.05 0.53 -0.02 0.00 -1.10 0.00 0.00 41.96 41.32 3hkq s TYR 193 CO 0.01 -0.76 0.87 -1.25 -2.51 0.00 0.00 175.55 171.91 3hkq s PRO 194 N -3.24 4.41 0.00 -3.49 0.04 -1.26 -1.30 135.00 130.16 3hkq s PRO 194 Ca -0.00 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.19 3hkq s PRO 194 Cb -0.01 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 31.02 3hkq s PRO 194 CO -0.09 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.18 3hkq n GLY 195 N 3.18 4.96 3.30 0.56 0.00 0.11 -4.84 105.19 112.46 3hkq n GLY 195 Ca 0.04 -0.93 -0.19 0.00 0.00 0.00 0.00 46.02 44.94 3hkq n GLY 195 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hkq s SER 196 N 1.26 1.65 0.50 1.61 1.04 -1.06 -2.38 113.70 116.32 3hkq s SER 196 Ca 0.00 -1.71 -0.21 0.00 0.48 0.00 0.00 55.95 54.51 3hkq s SER 196 Cb 0.00 0.53 -0.07 0.00 0.10 0.00 0.00 66.02 66.58 3hkq s SER 196 CO 0.00 -1.02 1.12 -0.76 0.98 0.00 0.00 173.24 173.56 3hkq s LEU 197 N -3.38 3.86 0.00 2.42 1.43 -0.29 -4.47 118.68 118.26 3hkq s LEU 197 Ca 0.39 2.17 0.21 0.00 -1.03 0.00 0.00 54.13 55.87 3hkq s LEU 197 Cb 0.03 -4.45 0.55 0.00 0.03 0.00 0.00 46.19 42.34 3hkq s LEU 197 CO 0.24 -1.02 1.45 0.35 0.23 0.00 0.00 176.35 177.61 3hkq n THR 198 N -0.94 0.41 -4.21 5.49 -2.24 -1.26 -4.46 114.28 107.07 3hkq n THR 198 Ca 0.10 -0.58 -0.15 0.00 -2.27 0.00 0.00 64.05 61.15 3hkq n THR 198 Cb 0.50 0.67 -0.11 0.00 -2.10 0.00 0.00 70.33 69.29 3hkq n THR 198 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hkq s THR 199 N -1.59 1.07 0.50 4.28 -4.23 -1.26 -4.69 115.64 109.71 3hkq s THR 199 Ca 0.36 -1.78 -0.22 0.00 -1.18 0.00 0.00 61.69 58.87 3hkq s THR 199 Cb 0.20 -1.53 -0.08 0.00 1.34 0.00 0.00 72.50 72.43 3hkq s THR 199 CO 0.28 -0.59 1.02 -2.65 -0.54 0.00 0.00 174.62 172.15 3hkq n PRO 200 N 0.33 1.25 0.00 3.99 -0.02 -1.26 -0.25 135.00 139.04 3hkq n PRO 200 Ca -0.14 0.46 0.03 0.00 -2.02 0.00 0.00 63.50 61.82 3hkq n PRO 200 Cb 0.58 -2.14 0.16 0.00 -0.02 0.00 0.00 33.50 32.08 3hkq n PRO 200 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hkq n PRO 201 N -0.33 0.60 -2.44 0.52 -0.04 -1.26 -4.99 135.00 127.06 3hkq n PRO 201 Ca 0.11 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.42 3hkq n PRO 201 Cb 0.43 -1.14 -0.01 0.00 -0.04 0.00 0.00 33.50 32.74 3hkq n PRO 201 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hkq n LEU 202 N -0.64 -1.38 -4.75 1.53 4.77 0.65 -4.91 117.00 112.28 3hkq n LEU 202 Ca 0.04 0.13 -0.41 0.00 -0.03 0.00 0.00 56.01 55.74 3hkq n LEU 202 Cb 0.02 -2.38 0.00 0.00 -2.33 0.00 0.00 43.42 38.73 3hkq n LEU 202 CO 0.03 -0.15 1.06 0.18 -1.33 0.00 0.00 177.39 177.18 3hkq n LEU 203 N -2.87 4.50 -4.06 2.23 4.77 -1.26 -4.36 117.00 115.95 3hkq n LEU 203 Ca -0.17 1.20 -0.43 0.00 -0.03 0.00 0.00 56.01 56.58 3hkq n LEU 203 Cb 0.63 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 3hkq n LEU 203 CO 0.21 -0.07 1.52 -0.62 -1.33 0.00 0.00 177.39 177.09 3hkq n GLU 204 N 0.36 3.80 -0.12 3.23 1.02 -1.26 -1.13 120.64 126.53 3hkq n GLU 204 Ca 0.03 -3.95 0.03 0.00 -0.02 0.00 0.00 57.16 53.24 3hkq n GLU 204 Cb 0.39 -2.80 0.04 0.00 -0.02 0.00 0.00 31.44 29.04 3hkq n GLU 204 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hkq s VAL 206 N -1.03 3.48 -0.37 0.00 1.01 -1.00 -0.56 120.40 121.93 3hkq s VAL 206 Ca 0.08 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.40 3hkq s VAL 206 Cb 0.07 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 34.01 3hkq s VAL 206 CO 0.01 0.56 0.24 -0.89 0.00 0.00 0.00 175.10 175.02 3hkq s THR 207 N -0.26 4.98 0.04 3.92 2.01 -0.14 0.06 115.64 126.25 3hkq s THR 207 Ca 0.03 -0.60 -0.22 0.00 0.31 0.00 0.00 61.69 61.21 3hkq s THR 207 Cb -0.13 -3.70 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 3hkq s THR 207 CO 0.03 -0.18 0.65 0.26 -0.69 0.00 0.00 174.62 174.69 3hkq s TRP 208 N 1.64 3.74 -0.25 4.92 0.52 -0.42 -2.07 118.94 127.02 3hkq s TRP 208 Ca 0.04 1.32 0.00 0.00 0.02 0.00 0.00 56.10 57.49 3hkq s TRP 208 Cb -0.18 -2.66 0.07 0.00 -1.15 0.00 0.00 33.47 29.54 3hkq s TRP 208 CO 0.09 0.38 -0.01 0.42 0.02 0.00 0.00 176.95 177.85 3hkq s ILE 209 N -0.38 1.34 -0.23 2.03 1.09 -0.59 -2.44 121.20 122.01 3hkq s ILE 209 Ca 0.33 -1.24 -0.05 0.00 -1.10 0.00 0.00 60.65 58.58 3hkq s ILE 209 Cb -0.19 -1.74 -0.01 0.00 -1.06 0.00 0.00 42.46 39.46 3hkq s ILE 209 CO 0.20 -0.25 0.00 -0.69 -0.10 0.00 0.00 174.94 174.10 3hkq s VAL 210 N 1.46 3.73 0.32 2.92 1.01 0.09 -0.57 120.40 129.36 3hkq s VAL 210 Ca -0.01 -0.40 -0.28 0.00 0.00 0.00 0.00 61.98 61.29 3hkq s VAL 210 Cb -0.18 -2.73 -0.10 0.00 0.00 0.00 0.00 36.38 33.37 3hkq s VAL 210 CO -0.09 0.37 1.17 -0.76 0.00 0.00 0.00 175.10 175.79 3hkq s LEU 211 N 1.53 4.45 0.09 3.92 1.43 -0.41 -0.84 118.68 128.83 3hkq s LEU 211 Ca 0.06 2.40 -0.17 0.00 -1.03 0.00 0.00 54.13 55.39 3hkq s LEU 211 Cb -0.15 -3.71 -0.09 0.00 0.03 0.00 0.00 46.19 42.27 3hkq s LEU 211 CO -0.01 -0.36 1.43 0.50 0.23 0.00 0.00 176.35 178.15 3hkq h LYS 212 N 3.45 0.58 -5.84 1.70 3.64 -1.57 -3.43 116.57 115.11 3hkq h LYS 212 Ca -0.48 -0.27 -0.59 0.00 -1.27 0.00 0.00 60.65 58.04 3hkq h LYS 212 Cb 1.22 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.94 3hkq h LYS 212 CO 0.66 0.84 0.50 -2.00 -2.27 0.00 0.00 179.45 177.18 3hkq s GLU 213 N -4.52 4.13 0.70 1.90 2.12 -1.26 -5.01 118.70 116.76 3hkq s GLU 213 Ca -0.13 0.90 -0.11 0.00 0.36 0.00 0.00 54.97 55.98 3hkq s GLU 213 Cb 0.08 -3.67 0.01 0.00 0.26 0.00 0.00 34.13 30.81 3hkq s GLU 213 CO 0.79 -0.59 1.09 -1.25 -0.54 0.00 0.00 175.26 174.77 3hkq s PRO 214 N 2.94 2.92 0.19 4.30 0.04 -1.26 -4.67 135.00 139.46 3hkq s PRO 214 Ca 0.36 0.50 0.06 0.00 0.04 0.00 0.00 61.00 61.95 3hkq s PRO 214 Cb -0.15 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 3hkq s PRO 214 CO 0.09 -1.00 0.15 0.96 0.04 0.00 0.00 177.00 177.24 3hkq s ILE 215 N -3.33 4.47 -0.10 0.56 -4.36 0.05 -4.91 121.20 113.58 3hkq s ILE 215 Ca 0.58 -1.16 -0.05 0.00 -0.26 0.00 0.00 60.65 59.75 3hkq s ILE 215 Cb -0.11 -3.32 -0.04 0.00 1.25 0.00 0.00 42.46 40.24 3hkq s ILE 215 CO 0.52 -0.17 0.10 -0.44 0.24 0.00 0.00 174.94 175.19 3hkq s SER 216 N -3.29 6.05 0.09 4.36 0.01 -1.26 -1.52 113.70 118.13 3hkq s SER 216 Ca 0.31 0.36 0.04 0.00 1.31 0.00 0.00 55.95 57.98 3hkq s SER 216 Cb -0.09 -1.89 -0.03 0.00 0.21 0.00 0.00 66.02 64.22 3hkq s SER 216 CO 0.24 0.39 -0.12 0.68 0.41 0.00 0.00 173.24 174.83 3hkq s VAL 217 N -1.02 1.03 0.53 3.43 -7.23 -0.36 -3.41 120.40 113.38 3hkq s VAL 217 Ca 0.16 -1.46 -0.10 0.00 -1.81 0.00 0.00 61.98 58.76 3hkq s VAL 217 Cb -0.12 -1.20 -0.05 0.00 0.56 0.00 0.00 36.38 35.58 3hkq s VAL 217 CO 0.05 -0.38 0.91 -0.94 -0.31 0.00 0.00 175.10 174.42 3hkq s SER 218 N -2.08 6.33 0.27 4.85 1.04 -1.14 -0.01 113.70 122.96 3hkq s SER 218 Ca 0.02 1.24 -0.02 0.00 0.48 0.00 0.00 55.95 57.67 3hkq s SER 218 Cb -0.07 -2.38 0.42 0.00 0.10 0.00 0.00 66.02 64.09 3hkq s SER 218 CO 0.01 -0.67 1.89 0.77 0.98 0.00 0.00 173.24 176.22 3hkq h SER 219 N 0.24 1.03 -0.79 7.02 4.64 -1.93 -1.27 113.55 122.49 3hkq h SER 219 Ca -0.46 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 3hkq h SER 219 Cb 1.19 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 63.04 3hkq h SER 219 CO 0.62 0.66 0.44 -0.33 -0.87 0.00 0.00 176.83 177.35 3hkq h GLU 220 N 1.17 1.10 -0.26 4.77 3.07 -1.95 -1.01 114.58 121.46 3hkq h GLU 220 Ca 0.43 -0.12 -0.03 0.00 -0.50 0.00 0.00 59.36 59.14 3hkq h GLU 220 Cb 0.17 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 3hkq h GLU 220 CO -0.17 0.81 0.06 1.96 -1.40 0.00 0.00 179.01 180.26 3hkq h GLN 221 N 1.09 0.43 -0.51 2.33 4.20 -1.64 -2.70 115.11 118.31 3hkq h GLN 221 Ca 0.28 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 3hkq h GLN 221 Cb 0.02 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 3hkq h GLN 221 CO -0.05 0.53 0.04 -0.39 -0.67 0.00 0.00 178.83 178.29 3hkq h VAL 222 N 0.25 1.24 -0.82 -0.54 -1.51 -1.14 -2.54 116.25 111.19 3hkq h VAL 222 Ca 0.08 -0.96 0.03 0.00 -1.23 0.00 0.00 66.70 64.62 3hkq h VAL 222 Cb 0.30 0.81 -0.05 0.00 -2.13 0.00 0.00 31.29 30.22 3hkq h VAL 222 CO 0.00 0.34 0.54 -0.07 -1.23 0.00 0.00 177.57 177.16 3hkq h LEU 223 N 0.78 0.89 -1.29 4.19 3.38 -1.05 -0.83 115.31 121.37 3hkq h LEU 223 Ca 0.16 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 3hkq h LEU 223 Cb 0.41 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3hkq h LEU 223 CO 0.01 0.61 -0.35 0.11 0.09 0.00 0.00 178.44 178.92 3hkq h LYS 224 N 1.03 0.00 -0.58 1.13 1.57 -1.13 -2.17 116.57 116.42 3hkq h LYS 224 Ca 0.32 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.00 3hkq h LYS 224 Cb 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3hkq h LYS 224 CO -0.09 0.35 -0.04 0.74 -0.57 0.00 0.00 179.45 179.84 3hkq h PHE 225 N 0.00 1.16 0.00 -1.35 -1.00 -1.04 -2.69 116.94 112.02 3hkq h PHE 225 Ca -0.00 -0.22 0.00 0.00 2.81 0.00 0.00 57.97 60.56 3hkq h PHE 225 Cb 0.64 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 39.90 3hkq h PHE 225 CO 0.00 1.04 0.00 0.54 -1.61 0.00 0.00 178.31 178.28 3hkq n ARG 226 N -4.17 0.45 0.00 1.51 1.74 -0.83 -2.54 116.66 112.81 3hkq n ARG 226 Ca 0.02 0.05 0.12 0.00 -0.77 0.00 0.00 57.85 57.27 3hkq n ARG 226 Cb 0.37 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.50 3hkq n ARG 226 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3hkq n LYS 227 N -1.13 0.40 -1.22 5.56 5.02 -1.01 -4.50 118.16 121.28 3hkq n LYS 227 Ca 0.12 -0.27 -0.30 0.00 -2.02 0.00 0.00 58.31 55.84 3hkq n LYS 227 Cb 0.10 -1.49 0.13 0.00 -0.02 0.00 0.00 35.03 33.74 3hkq n LYS 227 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hkq s LEU 228 N -2.79 2.44 0.03 -0.35 1.43 -1.05 -4.86 118.68 113.52 3hkq s LEU 228 Ca 0.15 1.57 0.08 0.00 -1.03 0.00 0.00 54.13 54.90 3hkq s LEU 228 Cb 0.18 -4.05 -0.02 0.00 0.03 0.00 0.00 46.19 42.32 3hkq s LEU 228 CO 0.66 -2.50 -0.24 0.20 0.23 0.00 0.00 176.35 174.70 3hkq s ASN 229 N -3.41 2.88 0.11 2.29 0.02 0.33 -0.10 114.94 117.07 3hkq s ASN 229 Ca 0.63 -0.52 -0.01 0.00 -1.02 0.00 0.00 52.86 51.94 3hkq s ASN 229 Cb -0.18 -0.27 -0.17 0.00 0.02 0.00 0.00 41.25 40.65 3hkq s ASN 229 CO 0.57 0.25 1.25 -0.26 0.02 0.00 0.00 177.10 178.92 3hkq h PHE 230 N 5.04 0.38 -4.36 2.20 0.04 -1.24 -3.36 116.94 115.64 3hkq h PHE 230 Ca -0.44 -0.24 -0.50 0.00 2.80 0.00 0.00 57.97 59.59 3hkq h PHE 230 Cb 1.14 -0.03 0.09 0.00 2.20 0.00 0.00 35.95 39.36 3hkq h PHE 230 CO 0.46 1.13 0.38 0.54 -0.60 0.00 0.00 178.31 180.22 3hkq s ASN 231 N -7.01 5.29 0.53 2.17 4.22 -1.26 -4.42 114.94 114.46 3hkq s ASN 231 Ca -0.03 1.38 -0.03 0.00 -2.14 0.00 0.00 52.86 52.03 3hkq s ASN 231 Cb 0.09 -2.22 0.00 0.00 1.28 0.00 0.00 41.25 40.39 3hkq s ASN 231 CO 0.86 -1.47 0.80 -0.83 -2.04 0.00 0.00 177.10 174.42 3hkq s GLY 232 N -4.03 1.58 0.20 0.45 0.00 -1.26 -1.50 107.32 102.77 3hkq s GLY 232 Ca 0.58 -0.82 -0.32 0.00 0.00 0.00 0.00 44.72 44.16 3hkq s GLY 232 CO 0.54 -0.59 1.42 -2.21 0.00 0.00 0.00 173.10 172.25 3hkq n GLU 233 N -2.36 1.91 0.00 2.90 2.13 -1.26 -1.84 120.64 122.12 3hkq n GLU 233 Ca 0.03 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.53 3hkq n GLU 233 Cb 0.57 -2.35 0.00 0.00 0.27 0.00 0.00 31.44 29.93 3hkq n GLU 233 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hkq n GLY 234 N 2.47 2.83 3.92 8.31 0.00 -1.26 -5.04 105.19 116.42 3hkq n GLY 234 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 3hkq n GLY 234 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hkq s GLU 235 N -0.58 3.47 0.33 1.61 2.02 -0.76 -5.02 118.70 119.77 3hkq s GLU 235 Ca 0.00 -0.04 -0.28 0.00 0.02 0.00 0.00 54.97 54.68 3hkq s GLU 235 Cb 0.00 -2.48 -0.13 0.00 0.10 0.00 0.00 34.13 31.62 3hkq s GLU 235 CO 0.00 -0.10 1.16 -2.30 0.02 0.00 0.00 175.26 174.04 3hkq n PRO 236 N -2.09 1.76 -2.40 0.39 -0.02 -1.26 -4.86 135.00 126.51 3hkq n PRO 236 Ca -0.01 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 3hkq n PRO 236 Cb 0.56 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 3hkq n PRO 236 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3hkq s GLU 237 N -1.77 4.45 -0.22 -0.52 2.12 -1.26 -4.75 118.70 116.75 3hkq s GLU 237 Ca 0.57 1.81 -0.02 0.00 0.36 0.00 0.00 54.97 57.69 3hkq s GLU 237 Cb -0.62 -3.31 0.07 0.00 0.26 0.00 0.00 34.13 30.53 3hkq s GLU 237 CO 0.61 -0.21 0.04 -1.21 -0.54 0.00 0.00 175.26 173.95 3hkq s GLU 238 N 0.69 0.75 0.31 4.30 2.02 -1.26 -5.05 118.70 120.46 3hkq s GLU 238 Ca 0.57 -0.58 -0.29 0.00 0.02 0.00 0.00 54.97 54.69 3hkq s GLU 238 Cb -0.31 -2.12 -0.11 0.00 0.10 0.00 0.00 34.13 31.69 3hkq s GLU 238 CO 0.31 -0.70 1.52 -0.51 0.02 0.00 0.00 175.26 175.90 3hkq s LEU 239 N 1.78 4.35 -0.93 1.80 1.43 -1.26 -0.84 118.68 125.01 3hkq s LEU 239 Ca 0.00 2.91 -0.24 0.00 -1.03 0.00 0.00 54.13 55.78 3hkq s LEU 239 Cb -0.17 -3.64 0.05 0.00 0.03 0.00 0.00 46.19 42.45 3hkq s LEU 239 CO -0.11 -0.84 1.38 -0.32 0.23 0.00 0.00 176.35 176.69 3hkq s MET 240 N -1.03 3.48 0.04 1.70 -2.45 0.86 -4.62 119.30 117.29 3hkq s MET 240 Ca 0.59 -0.92 -0.04 0.00 -1.25 0.00 0.00 55.69 54.06 3hkq s MET 240 Cb -0.46 -5.00 -0.02 0.00 1.25 0.00 0.00 34.83 30.60 3hkq s MET 240 CO 0.52 -2.16 0.07 0.14 1.05 0.00 0.00 175.02 174.63 3hkq s VAL 241 N 5.03 0.15 -1.31 10.11 -7.23 -1.26 -4.54 120.40 121.35 3hkq s VAL 241 Ca 0.42 -1.24 -0.02 0.00 -1.81 0.00 0.00 61.98 59.32 3hkq s VAL 241 Cb -0.03 -1.02 0.01 0.00 0.56 0.00 0.00 36.38 35.90 3hkq s VAL 241 CO -0.03 -0.69 0.84 0.47 -0.31 0.00 0.00 175.10 175.39 3hkq n ASP 242 N 0.61 -2.17 -2.82 4.85 8.00 0.05 -4.88 116.55 120.19 3hkq n ASP 242 Ca -0.18 -0.74 -0.34 0.00 0.71 0.00 0.00 54.79 54.24 3hkq n ASP 242 Cb 0.59 -4.39 -0.01 0.00 -0.02 0.00 0.00 41.12 37.30 3hkq n ASP 242 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3hkq n ASN 243 N -3.05 7.08 -4.27 -2.24 6.94 -1.08 -4.92 115.26 113.72 3hkq n ASN 243 Ca -0.24 -3.50 -0.26 0.00 -0.02 0.00 0.00 54.58 50.57 3hkq n ASN 243 Cb 0.65 -1.17 -0.14 0.00 -2.36 0.00 0.00 39.78 36.76 3hkq n ASN 243 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3hkq s TRP 244 N -2.83 1.90 -0.04 -2.53 1.48 -1.26 -4.59 118.94 111.07 3hkq s TRP 244 Ca 0.54 -0.39 -0.13 0.00 -1.06 0.00 0.00 56.10 55.06 3hkq s TRP 244 Cb 0.38 -1.12 -0.05 0.00 -1.16 0.00 0.00 33.47 31.52 3hkq s TRP 244 CO -0.29 0.12 0.36 0.50 -4.06 0.00 0.00 176.95 173.58 3hkq s ARG 245 N -1.32 3.88 0.78 3.25 3.52 -1.26 -4.98 118.95 122.81 3hkq s ARG 245 Ca 0.08 0.30 -0.11 0.00 -0.13 0.00 0.00 55.73 55.87 3hkq s ARG 245 Cb -0.09 -3.24 0.06 0.00 -1.56 0.00 0.00 34.95 30.12 3hkq s ARG 245 CO 0.02 0.65 1.09 -1.25 -0.81 0.00 0.00 175.30 175.00 3hkq s PRO 246 N -0.89 2.26 0.34 5.12 0.04 -1.26 -4.65 135.00 135.96 3hkq s PRO 246 Ca 0.22 0.75 -0.28 0.00 0.04 0.00 0.00 61.00 61.73 3hkq s PRO 246 Cb -0.16 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 32.33 3hkq s PRO 246 CO 0.11 -1.53 1.33 0.00 0.04 0.00 0.00 177.00 176.95 3hkq n ALA 247 N -3.39 1.47 -2.67 8.56 0.00 -1.26 -4.38 120.51 118.83 3hkq n ALA 247 Ca 0.07 0.36 -0.22 0.00 0.00 0.00 0.00 53.44 53.65 3hkq n ALA 247 Cb 0.55 -2.28 -0.05 0.00 0.00 0.00 0.00 19.45 17.67 3hkq n ALA 247 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hkq s GLN 248 N -1.80 2.63 0.28 0.00 -1.52 0.69 -4.94 119.66 114.99 3hkq s GLN 248 Ca 0.56 -1.27 -0.30 0.00 -1.95 0.00 0.00 55.36 52.39 3hkq s GLN 248 Cb -0.56 -2.38 -0.12 0.00 -0.22 0.00 0.00 33.01 29.73 3hkq s GLN 248 CO 0.61 0.29 1.58 -2.30 -0.25 0.00 0.00 175.29 175.23 3hkq n PRO 249 N -1.13 2.61 0.10 2.91 -0.02 -1.26 -4.52 135.00 133.69 3hkq n PRO 249 Ca -0.06 0.93 -0.04 0.00 -2.02 0.00 0.00 63.50 62.32 3hkq n PRO 249 Cb 0.59 -2.70 0.15 0.00 -0.02 0.00 0.00 33.50 31.52 3hkq n PRO 249 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3hkq h LEU 250 N 4.90 0.22 0.00 2.45 5.85 -1.94 -3.44 115.31 123.36 3hkq h LEU 250 Ca -0.46 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.14 3hkq h LEU 250 Cb 1.23 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3hkq h LEU 250 CO 0.80 0.74 0.00 0.29 -0.34 0.00 0.00 178.44 179.94 3hkq n LYS 251 N -3.89 0.00 -1.50 1.25 5.02 -1.26 -3.05 118.16 114.72 3hkq n LYS 251 Ca -0.02 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.95 3hkq n LYS 251 Cb 0.59 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.54 3hkq n LYS 251 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hkq n ASN 252 N 2.01 7.44 -4.08 4.39 3.02 -1.26 -4.89 115.26 121.89 3hkq n ASN 252 Ca 0.00 -2.86 -0.13 0.00 -0.03 0.00 0.00 54.58 51.56 3hkq n ASN 252 Cb 0.00 -1.41 -0.11 0.00 -0.61 0.00 0.00 39.78 37.65 3hkq n ASN 252 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3hkq s ARG 253 N 0.15 0.57 -0.05 3.52 0.52 -1.17 -5.12 118.95 117.38 3hkq s ARG 253 Ca 0.62 -0.81 0.06 0.00 -0.52 0.00 0.00 55.73 55.09 3hkq s ARG 253 Cb 0.25 -0.34 -0.01 0.00 0.52 0.00 0.00 34.95 35.37 3hkq s ARG 253 CO -0.09 0.06 -0.24 -1.14 0.02 0.00 0.00 175.30 173.91 3hkq s GLN 254 N -1.72 2.29 -0.15 3.54 0.74 -1.26 -5.02 119.66 118.08 3hkq s GLN 254 Ca -0.08 -0.86 -0.15 0.00 0.05 0.00 0.00 55.36 54.33 3hkq s GLN 254 Cb -0.09 -2.01 -0.05 0.00 1.10 0.00 0.00 33.01 31.96 3hkq s GLN 254 CO 0.00 0.40 0.34 0.42 -0.55 0.00 0.00 175.29 175.90 3hkq s ILE 255 N -0.24 5.28 0.04 -2.34 1.01 -1.26 -4.72 121.20 118.96 3hkq s ILE 255 Ca -0.00 0.64 0.02 0.00 0.00 0.00 0.00 60.65 61.31 3hkq s ILE 255 Cb -0.12 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 3hkq s ILE 255 CO 0.02 0.37 0.07 -0.54 0.00 0.00 0.00 174.94 174.86 3hkq s LYS 256 N 0.54 2.92 0.04 2.79 1.02 -0.41 -1.78 119.74 124.87 3hkq s LYS 256 Ca 0.19 -0.61 0.06 0.00 0.02 0.00 0.00 55.97 55.63 3hkq s LYS 256 Cb -0.13 -2.76 -0.03 0.00 -0.52 0.00 0.00 37.83 34.38 3hkq s LYS 256 CO 0.05 0.60 -0.15 0.00 -0.92 0.00 0.00 175.35 174.93 3hkq s ALA 257 N -1.27 2.71 -1.99 5.17 0.00 0.11 -0.46 121.76 126.03 3hkq s ALA 257 Ca 0.25 -1.17 0.27 0.00 0.00 0.00 0.00 51.96 51.31 3hkq s ALA 257 Cb -0.12 -0.83 0.80 0.00 0.00 0.00 0.00 23.12 22.98 3hkq s ALA 257 CO 0.17 0.59 1.60 -1.13 0.00 0.00 0.00 175.76 176.99 3hkq n SER 258 N 1.45 1.22 -4.18 0.00 3.41 -0.13 -1.19 113.62 114.20 3hkq n SER 258 Ca -0.16 -1.10 -0.11 0.00 -0.26 0.00 0.00 58.87 57.25 3hkq n SER 258 Cb 0.52 0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.48 3hkq n SER 258 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3hkq s PHE 259 N -2.36 0.96 -2.67 7.33 -0.71 -1.26 -4.89 117.98 114.38 3hkq s PHE 259 Ca 0.28 -1.02 0.27 0.00 -1.04 0.00 0.00 56.93 55.41 3hkq s PHE 259 Cb 0.20 -0.56 0.76 0.00 -1.21 0.00 0.00 43.02 42.21 3hkq s PHE 259 CO 0.47 -0.26 1.58 1.63 -1.34 0.00 0.00 175.22 177.30