#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bhq n THR 2 N 0.00 0.59 -4.28 1.12 -2.24 -1.26 -5.01 114.28 103.19 2bhq n THR 2 Ca 0.00 -0.79 -0.15 0.00 -2.27 0.00 0.00 64.05 60.84 2bhq n THR 2 Cb 0.00 0.76 -0.10 0.00 -2.10 0.00 0.00 70.33 68.89 2bhq n THR 2 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2bhq s VAL 3 N -0.81 0.66 0.74 2.28 -7.23 -1.26 -5.14 120.40 109.63 2bhq s VAL 3 Ca 0.11 -1.99 -0.15 0.00 -1.81 0.00 0.00 61.98 58.14 2bhq s VAL 3 Cb 0.06 -2.38 0.04 0.00 0.56 0.00 0.00 36.38 34.67 2bhq s VAL 3 CO 0.09 -0.24 1.20 -1.61 -0.31 0.00 0.00 175.10 174.23 2bhq s GLU 4 N -3.96 2.09 0.57 4.82 0.41 -1.26 -4.94 118.70 116.42 2bhq s GLU 4 Ca 0.31 1.75 -0.21 0.00 -0.41 0.00 0.00 54.97 56.41 2bhq s GLU 4 Cb 0.07 -1.83 -0.04 0.00 -1.78 0.00 0.00 34.13 30.55 2bhq s GLU 4 CO 0.09 -1.87 1.34 -2.14 -0.49 0.00 0.00 175.26 172.19 2bhq s PRO 5 N -3.95 3.01 0.35 0.39 0.02 -1.26 -4.89 135.00 128.67 2bhq s PRO 5 Ca 0.74 2.20 -0.28 0.00 0.02 0.00 0.00 61.00 63.68 2bhq s PRO 5 Cb -0.29 -2.17 -0.12 0.00 0.02 0.00 0.00 34.50 31.95 2bhq s PRO 5 CO 0.46 -1.28 1.35 0.34 -0.33 0.00 0.00 177.00 177.54 2bhq n PHE 6 N -1.22 2.49 -3.85 6.54 7.35 -1.26 -5.02 117.46 122.49 2bhq n PHE 6 Ca 0.12 0.52 -0.12 0.00 -0.76 0.00 0.00 57.45 57.21 2bhq n PHE 6 Cb 0.46 -2.45 -0.12 0.00 0.35 0.00 0.00 39.48 37.71 2bhq n PHE 6 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2bhq s ARG 7 N -1.91 0.19 0.38 -4.13 0.52 -1.26 -5.14 118.95 107.60 2bhq s ARG 7 Ca 0.55 0.02 -0.26 0.00 -0.52 0.00 0.00 55.73 55.52 2bhq s ARG 7 Cb -0.54 0.09 -0.09 0.00 0.52 0.00 0.00 34.95 34.93 2bhq s ARG 7 CO 0.62 -0.03 1.16 -0.80 0.02 0.00 0.00 175.30 176.27 2bhq s ASN 8 N -0.26 6.65 0.08 0.23 -0.87 -1.26 -4.98 114.94 114.54 2bhq s ASN 8 Ca -0.03 2.34 -0.31 0.00 -1.57 0.00 0.00 52.86 53.29 2bhq s ASN 8 Cb -0.02 -2.62 -0.07 0.00 -0.02 0.00 0.00 41.25 38.52 2bhq s ASN 8 CO 0.00 -0.59 1.38 -0.70 -2.57 0.00 0.00 177.10 174.63 2bhq s GLU 9 N -2.18 4.32 0.38 -0.60 2.56 -1.26 -4.96 118.70 116.96 2bhq s GLU 9 Ca 0.55 2.03 -0.28 0.00 0.00 0.00 0.00 54.97 57.27 2bhq s GLU 9 Cb -0.31 -3.34 -0.11 0.00 2.00 0.00 0.00 34.13 32.37 2bhq s GLU 9 CO 0.39 -0.46 1.47 -2.14 -0.56 0.00 0.00 175.26 173.96 2bhq s PRO 10 N 1.45 4.12 -0.25 4.30 0.02 -1.26 -4.89 135.00 138.48 2bhq s PRO 10 Ca 0.64 2.55 -0.19 0.00 0.02 0.00 0.00 61.00 64.02 2bhq s PRO 10 Cb -0.35 -2.97 -0.02 0.00 0.02 0.00 0.00 34.50 31.18 2bhq s PRO 10 CO 0.29 -0.52 0.58 0.42 -0.33 0.00 0.00 177.00 177.44 2bhq s ILE 11 N -1.12 5.03 0.21 2.83 1.01 -1.26 -4.92 121.20 122.97 2bhq s ILE 11 Ca 0.53 1.03 -0.30 0.00 0.00 0.00 0.00 60.65 61.90 2bhq s ILE 11 Cb -0.46 -3.89 -0.09 0.00 0.01 0.00 0.00 42.46 38.03 2bhq s ILE 11 CO 0.62 0.07 1.37 -0.70 0.00 0.00 0.00 174.94 176.30 2bhq s GLU 12 N 2.33 4.34 -0.01 2.79 2.56 -1.26 -4.92 118.70 124.53 2bhq s GLU 12 Ca 0.24 2.15 0.18 0.00 0.00 0.00 0.00 54.97 57.55 2bhq s GLU 12 Cb -0.16 -3.17 -0.24 0.00 2.00 0.00 0.00 34.13 32.57 2bhq s GLU 12 CO 0.09 -0.33 0.60 0.25 -0.56 0.00 0.00 175.26 175.30 2bhq n THR 13 N 2.67 0.00 -3.24 -1.70 -2.24 -1.26 -4.68 114.28 103.84 2bhq n THR 13 Ca 0.07 -0.24 -0.21 0.00 -2.27 0.00 0.00 64.05 61.40 2bhq n THR 13 Cb 0.42 0.56 0.05 0.00 -2.10 0.00 0.00 70.33 69.26 2bhq n THR 13 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2bhq n PHE 14 N -1.77 -2.23 0.11 4.78 3.01 -1.26 -4.91 117.46 115.18 2bhq n PHE 14 Ca 0.00 0.71 0.10 0.00 1.01 0.00 0.00 57.45 59.27 2bhq n PHE 14 Cb 0.38 -4.45 0.01 0.00 -0.01 0.00 0.00 39.48 35.41 2bhq n PHE 14 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 2bhq h GLN 15 N -1.90 0.00 -6.39 -1.08 1.08 -1.96 -3.42 115.11 101.45 2bhq h GLN 15 Ca -0.50 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.16 2bhq h GLN 15 Cb 1.33 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.74 2bhq h GLN 15 CO 0.51 0.05 -0.18 0.95 -0.95 0.00 0.00 178.83 179.21 2bhq s THR 16 N -3.28 5.04 0.28 -0.54 -4.23 -1.26 -4.99 115.64 106.67 2bhq s THR 16 Ca 0.00 0.13 -0.02 0.00 -1.18 0.00 0.00 61.69 60.62 2bhq s THR 16 Cb 0.09 -3.68 0.20 0.00 1.34 0.00 0.00 72.50 70.45 2bhq s THR 16 CO 0.78 -0.16 1.88 -0.08 -0.54 0.00 0.00 174.62 176.50 2bhq h GLU 17 N 2.19 0.97 -0.47 3.99 4.57 -1.99 -1.79 114.58 122.04 2bhq h GLU 17 Ca -0.47 -0.13 0.02 0.00 -1.18 0.00 0.00 59.36 57.60 2bhq h GLU 17 Cb 1.18 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.56 2bhq h GLU 17 CO 0.68 0.75 0.28 1.49 -1.18 0.00 0.00 179.01 181.04 2bhq h GLU 18 N 0.96 0.55 -0.57 1.92 4.22 -1.98 0.18 114.58 119.86 2bhq h GLU 18 Ca 0.23 -0.03 -0.09 0.00 0.08 0.00 0.00 59.36 59.55 2bhq h GLU 18 Cb 0.11 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2bhq h GLU 18 CO -0.03 0.37 -0.00 0.00 -2.18 0.00 0.00 179.01 177.16 2bhq h ALA 19 N 1.21 0.77 -0.47 2.92 0.00 -1.83 -1.63 119.26 120.24 2bhq h ALA 19 Ca 0.19 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 2bhq h ALA 19 Cb 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2bhq h ALA 19 CO -0.08 0.61 -0.02 0.00 0.00 0.00 0.00 179.25 179.75 2bhq h ARG 20 N 0.90 0.85 -0.23 0.00 3.08 -0.93 -1.37 114.38 116.67 2bhq h ARG 20 Ca 0.16 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 2bhq h ARG 20 Cb 0.55 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2bhq h ARG 20 CO 0.03 0.91 0.14 -0.09 -1.07 0.00 0.00 179.97 179.89 2bhq h ARG 21 N 0.70 0.31 -0.72 0.04 2.43 -0.52 0.05 114.38 116.67 2bhq h ARG 21 Ca 0.13 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 2bhq h ARG 21 Cb 0.54 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 2bhq h ARG 21 CO 0.03 0.25 0.37 0.00 -1.51 0.00 0.00 179.97 179.10 2bhq h ALA 22 N 1.05 0.93 -0.40 2.80 0.00 -1.20 -2.03 119.26 120.40 2bhq h ALA 22 Ca 0.08 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2bhq h ALA 22 Cb 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2bhq h ALA 22 CO -0.02 0.47 -0.17 1.98 0.00 0.00 0.00 179.25 181.52 2bhq h MET 23 N 1.01 0.83 -0.90 0.00 1.85 -1.01 -1.62 114.93 115.09 2bhq h MET 23 Ca 0.25 -0.35 -0.01 0.00 -0.61 0.00 0.00 59.70 58.98 2bhq h MET 23 Cb 0.09 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 32.04 2bhq h MET 23 CO -0.04 0.98 0.51 0.00 -0.40 0.00 0.00 176.91 177.97 2bhq h ARG 24 N 0.64 1.24 -0.47 0.39 3.08 -0.80 0.95 114.38 119.40 2bhq h ARG 24 Ca 0.09 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 2bhq h ARG 24 Cb 0.72 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 2bhq h ARG 24 CO 0.05 0.89 -0.08 1.49 -1.07 0.00 0.00 179.97 181.26 2bhq h GLU 25 N 1.25 0.89 -0.49 0.04 4.57 -1.26 -0.92 114.58 118.66 2bhq h GLU 25 Ca 0.32 -0.32 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 2bhq h GLU 25 Cb 0.00 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 2bhq h GLU 25 CO -0.05 0.97 0.20 0.00 -1.18 0.00 0.00 179.01 178.94 2bhq h ALA 26 N 0.89 0.64 -0.63 2.92 0.00 -0.80 -0.87 119.26 121.42 2bhq h ALA 26 Ca 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2bhq h ALA 26 Cb 0.62 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2bhq h ALA 26 CO 0.04 0.25 0.31 -0.07 0.00 0.00 0.00 179.25 179.79 2bhq h LEU 27 N 0.66 0.81 -0.36 0.00 3.38 -0.70 -1.51 115.31 117.58 2bhq h LEU 27 Ca 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2bhq h LEU 27 Cb 0.20 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2bhq h LEU 27 CO -0.01 0.70 0.18 0.03 0.09 0.00 0.00 178.44 179.43 2bhq h ARG 28 N 0.86 0.51 -0.59 1.13 3.08 -0.85 -1.01 114.38 117.51 2bhq h ARG 28 Ca 0.22 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 2bhq h ARG 28 Cb 0.10 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 2bhq h ARG 28 CO -0.03 0.45 0.09 0.00 -1.07 0.00 0.00 179.97 179.41 2bhq h ARG 29 N 0.45 0.96 -0.39 0.04 3.08 -0.98 -0.19 114.38 117.35 2bhq h ARG 29 Ca 0.12 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 2bhq h ARG 29 Cb 0.10 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2bhq h ARG 29 CO -0.02 0.89 0.00 0.28 -1.07 0.00 0.00 179.97 180.06 2bhq h VAL 30 N 0.91 1.26 -0.71 2.04 2.07 -1.10 -2.05 116.25 118.67 2bhq h VAL 30 Ca 0.18 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 2bhq h VAL 30 Cb 0.41 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2bhq h VAL 30 CO 0.01 0.34 0.37 -0.09 0.02 0.00 0.00 177.57 178.22 2bhq h ARG 31 N 0.51 0.99 0.00 1.57 9.65 -0.93 -1.04 114.38 125.13 2bhq h ARG 31 Ca 0.11 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2bhq h ARG 31 Cb 0.47 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 2bhq h ARG 31 CO 0.02 0.76 0.00 0.39 2.80 0.00 0.00 179.97 183.94 2bhq n GLU 32 N -4.47 0.14 0.00 0.20 1.02 -0.10 -1.65 120.64 115.77 2bhq n GLU 32 Ca 0.06 0.41 0.12 0.00 -0.02 0.00 0.00 57.16 57.73 2bhq n GLU 32 Cb 0.10 -1.78 0.21 0.00 -0.02 0.00 0.00 31.44 29.95 2bhq n GLU 32 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2bhq n GLU 33 N -2.05 1.67 -1.60 3.49 2.13 -0.42 -4.98 120.64 118.88 2bhq n GLU 33 Ca 0.02 -1.26 -0.46 0.00 0.66 0.00 0.00 57.16 56.12 2bhq n GLU 33 Cb 0.19 -1.47 -0.02 0.00 0.27 0.00 0.00 31.44 30.40 2bhq n GLU 33 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2bhq n PHE 34 N 0.43 1.40 0.00 4.31 3.01 -0.66 -2.38 117.46 123.57 2bhq n PHE 34 Ca 0.14 0.66 0.00 0.00 1.01 0.00 0.00 57.45 59.26 2bhq n PHE 34 Cb 0.47 -2.29 0.00 0.00 -0.01 0.00 0.00 39.48 37.66 2bhq n PHE 34 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2bhq n GLY 35 N 1.58 0.19 3.72 1.37 0.00 -0.69 -4.95 105.19 106.42 2bhq n GLY 35 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 2bhq n GLY 35 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2bhq n ARG 36 N -2.00 1.23 -4.44 1.61 0.63 -1.00 -4.51 116.66 108.17 2bhq n ARG 36 Ca 0.00 0.47 -0.34 0.00 -0.92 0.00 0.00 57.85 57.06 2bhq n ARG 36 Cb 0.00 -2.52 -0.12 0.00 0.45 0.00 0.00 32.46 30.27 2bhq n ARG 36 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2bhq s HIS 37 N -1.37 3.03 -0.16 -0.14 5.65 -1.26 -1.36 115.29 119.68 2bhq s HIS 37 Ca 0.80 -0.19 0.02 0.00 0.25 0.00 0.00 55.06 55.94 2bhq s HIS 37 Cb -0.39 -1.90 0.01 0.00 -1.18 0.00 0.00 32.58 29.13 2bhq s HIS 37 CO 0.42 0.09 -0.20 0.71 -0.65 0.00 0.00 174.74 175.11 2bhq s TYR 38 N 0.02 2.72 0.88 3.88 1.51 0.28 -4.98 117.35 121.66 2bhq s TYR 38 Ca 0.01 -1.43 -0.15 0.00 -1.01 0.00 0.00 57.07 54.49 2bhq s TYR 38 Cb -0.13 -1.86 0.20 0.00 -0.11 0.00 0.00 41.96 40.06 2bhq s TYR 38 CO 0.03 -0.67 1.15 -2.30 -1.11 0.00 0.00 175.55 172.64 2bhq n PRO 39 N 4.28 -1.29 -1.87 -1.71 -0.02 -1.26 -1.14 135.00 131.98 2bhq n PRO 39 Ca -0.20 -1.78 -0.30 0.00 -2.02 0.00 0.00 63.50 59.20 2bhq n PRO 39 Cb 0.51 -1.22 0.07 0.00 -0.02 0.00 0.00 33.50 32.84 2bhq n PRO 39 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2bhq s LEU 40 N 0.00 2.70 -0.22 2.45 1.43 0.53 -4.65 118.68 120.92 2bhq s LEU 40 Ca 0.66 0.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.74 2bhq s LEU 40 Cb -0.02 -3.64 0.06 0.00 0.03 0.00 0.00 46.19 42.62 2bhq s LEU 40 CO 0.46 -1.63 -0.04 -0.47 0.23 0.00 0.00 176.35 174.90 2bhq s TYR 41 N -3.44 2.13 -0.04 0.29 5.04 -0.79 -0.44 117.35 120.10 2bhq s TYR 41 Ca 0.60 -1.55 0.01 0.00 -2.44 0.00 0.00 57.07 53.69 2bhq s TYR 41 Cb -0.11 -1.48 0.02 0.00 0.35 0.00 0.00 41.96 40.74 2bhq s TYR 41 CO 0.51 -0.73 -0.05 0.42 -1.34 0.00 0.00 175.55 174.36 2bhq s ILE 42 N 1.48 0.54 -1.42 3.14 1.01 -0.41 -0.33 121.20 125.21 2bhq s ILE 42 Ca -0.04 -0.13 -0.08 0.00 0.00 0.00 0.00 60.65 60.40 2bhq s ILE 42 Cb -0.18 -0.56 0.04 0.00 0.01 0.00 0.00 42.46 41.78 2bhq s ILE 42 CO -0.07 0.22 0.92 0.61 0.00 0.00 0.00 174.94 176.63 2bhq n GLY 43 N 4.00 -0.43 2.39 6.18 0.00 -1.26 -2.28 105.19 113.79 2bhq n GLY 43 Ca -0.25 0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2bhq n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bhq n GLY 44 N -1.67 0.56 3.01 -0.02 0.00 -1.26 -4.42 105.19 101.38 2bhq n GLY 44 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 2bhq n GLY 44 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2bhq s GLU 45 N -0.21 0.39 -0.11 1.61 -1.05 -0.97 -4.97 118.70 113.39 2bhq s GLU 45 Ca 0.00 -0.74 -0.29 0.00 -0.15 0.00 0.00 54.97 53.78 2bhq s GLU 45 Cb 0.00 0.14 -0.01 0.00 -0.44 0.00 0.00 34.13 33.81 2bhq s GLU 45 CO 0.00 -0.07 0.99 -1.58 0.95 0.00 0.00 175.26 175.55 2bhq s TRP 46 N -2.03 3.50 -0.16 4.83 0.52 -1.26 -1.29 118.94 123.06 2bhq s TRP 46 Ca -0.11 1.56 0.01 0.00 0.02 0.00 0.00 56.10 57.59 2bhq s TRP 46 Cb -0.06 -3.17 0.02 0.00 -1.15 0.00 0.00 33.47 29.11 2bhq s TRP 46 CO -0.03 -0.22 -0.19 0.08 0.02 0.00 0.00 176.95 176.61 2bhq s VAL 47 N 2.02 1.92 0.53 4.03 1.01 0.41 -4.92 120.40 125.40 2bhq s VAL 47 Ca 0.47 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 2bhq s VAL 47 Cb -0.18 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.48 2bhq s VAL 47 CO 0.17 0.52 0.77 -0.62 0.00 0.00 0.00 175.10 175.94 2bhq s ASP 48 N 1.19 5.52 0.19 3.32 -1.08 -1.26 -0.35 116.67 124.20 2bhq s ASP 48 Ca 0.01 0.27 0.02 0.00 -0.52 0.00 0.00 52.55 52.33 2bhq s ASP 48 Cb -0.14 -1.30 -0.05 0.00 -1.46 0.00 0.00 42.92 39.97 2bhq s ASP 48 CO -0.09 -0.98 -0.00 0.42 0.52 0.00 0.00 175.17 175.03 2bhq s THR 49 N -2.75 0.80 -0.00 1.71 -4.23 -1.26 -4.94 115.64 104.96 2bhq s THR 49 Ca 0.53 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.79 2bhq s THR 49 Cb -0.10 -2.17 -0.19 0.00 1.34 0.00 0.00 72.50 71.37 2bhq s THR 49 CO 0.40 -0.44 1.35 0.50 -0.54 0.00 0.00 174.62 175.88 2bhq h LYS 50 N 2.64 -0.01 -7.33 3.99 3.64 -2.00 -3.44 116.57 114.05 2bhq h LYS 50 Ca -0.37 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.50 2bhq h LYS 50 Cb 1.21 0.00 0.07 0.00 -0.41 0.00 0.00 32.23 33.10 2bhq h LYS 50 CO 0.63 0.39 0.39 -1.21 -2.27 0.00 0.00 179.45 177.38 2bhq s GLU 51 N -4.60 3.33 0.13 1.90 2.02 -1.26 -5.04 118.70 115.19 2bhq s GLU 51 Ca -0.15 0.87 -0.02 0.00 0.02 0.00 0.00 54.97 55.69 2bhq s GLU 51 Cb 0.02 -2.04 -0.04 0.00 0.10 0.00 0.00 34.13 32.17 2bhq s GLU 51 CO 0.67 -0.78 0.08 -0.98 0.02 0.00 0.00 175.26 174.27 2bhq s ARG 52 N -4.99 0.95 0.05 1.61 1.70 -1.26 -3.30 118.95 113.71 2bhq s ARG 52 Ca 0.57 -1.41 0.08 0.00 -0.47 0.00 0.00 55.73 54.50 2bhq s ARG 52 Cb -0.12 0.26 -0.03 0.00 -0.57 0.00 0.00 34.95 34.48 2bhq s ARG 52 CO 0.52 -0.28 -0.22 -1.64 -1.08 0.00 0.00 175.30 172.60 2bhq s MET 53 N -4.04 1.90 -0.10 3.89 -1.94 0.42 -4.85 119.30 114.58 2bhq s MET 53 Ca 0.23 -1.07 -0.01 0.00 -1.71 0.00 0.00 55.69 53.14 2bhq s MET 53 Cb 0.07 -2.07 -0.03 0.00 2.01 0.00 0.00 34.83 34.81 2bhq s MET 53 CO 0.02 0.52 -0.06 0.08 -0.01 0.00 0.00 175.02 175.57 2bhq s VAL 54 N -0.88 3.78 -0.21 -6.03 1.01 -1.26 -1.46 120.40 115.34 2bhq s VAL 54 Ca 0.13 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 2bhq s VAL 54 Cb -0.10 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.70 2bhq s VAL 54 CO 0.04 0.56 -0.09 -0.55 0.00 0.00 0.00 175.10 175.06 2bhq s SER 55 N -0.41 3.94 0.21 3.32 0.15 -0.30 -5.00 113.70 115.62 2bhq s SER 55 Ca 0.06 -0.54 0.03 0.00 0.70 0.00 0.00 55.95 56.20 2bhq s SER 55 Cb -0.12 -1.65 -0.03 0.00 -1.71 0.00 0.00 66.02 62.51 2bhq s SER 55 CO 0.02 -0.03 0.35 -0.76 1.20 0.00 0.00 173.24 174.03 2bhq s LEU 56 N 1.40 4.29 -0.44 3.45 1.43 -1.26 -0.76 118.68 126.78 2bhq s LEU 56 Ca 0.05 0.18 -0.24 0.00 -1.03 0.00 0.00 54.13 53.08 2bhq s LEU 56 Cb -0.14 -2.95 0.02 0.00 0.03 0.00 0.00 46.19 43.15 2bhq s LEU 56 CO -0.06 -0.04 0.84 0.21 0.23 0.00 0.00 176.35 177.52 2bhq s ASN 57 N -3.63 6.47 0.40 2.29 3.84 -0.71 -4.78 114.94 118.83 2bhq s ASN 57 Ca 0.35 0.06 0.27 0.00 0.21 0.00 0.00 52.86 53.76 2bhq s ASN 57 Cb -0.10 -2.41 1.42 0.00 -0.55 0.00 0.00 41.25 39.61 2bhq s ASN 57 CO 0.29 -0.94 1.83 1.55 -2.79 0.00 0.00 177.10 177.05 2bhq h PRO 58 N 8.93 0.00 0.00 0.43 0.13 -1.78 0.67 132.00 140.38 2bhq h PRO 58 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2bhq h PRO 58 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2bhq h PRO 58 CO 0.98 0.00 -0.50 0.77 -0.23 0.00 0.00 178.00 179.02 2bhq h SER 59 N 0.00 0.00 -0.97 1.44 0.02 -1.90 -2.30 113.55 109.84 2bhq h SER 59 Ca 0.00 -0.04 -0.18 0.00 -0.84 0.00 0.00 61.79 60.73 2bhq h SER 59 Cb 0.07 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.44 2bhq h SER 59 CO 0.00 0.02 -0.51 0.00 -1.14 0.00 0.00 176.83 175.20 2bhq n ALA 60 N -2.05 -1.65 0.28 3.77 0.00 -0.22 -3.60 120.51 117.05 2bhq n ALA 60 Ca 0.03 -1.15 0.10 0.00 0.00 0.00 0.00 53.44 52.42 2bhq n ALA 60 Cb 0.51 -1.45 0.45 0.00 0.00 0.00 0.00 19.45 18.96 2bhq n ALA 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2bhq h PRO 61 N 4.93 0.00 0.00 0.00 0.11 -1.18 0.54 132.00 136.40 2bhq h PRO 61 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2bhq h PRO 61 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2bhq h PRO 61 CO 0.05 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.71 2bhq n SER 62 N -2.80 0.73 -4.70 -2.05 3.41 -1.26 -4.64 113.62 102.30 2bhq n SER 62 Ca 0.01 0.58 -0.38 0.00 -0.26 0.00 0.00 58.87 58.82 2bhq n SER 62 Cb 0.72 -0.78 -0.06 0.00 -0.26 0.00 0.00 64.21 63.83 2bhq n SER 62 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2bhq s GLU 63 N -3.13 4.29 -0.42 4.33 2.02 0.18 -5.03 118.70 120.93 2bhq s GLU 63 Ca 0.10 0.40 -0.19 0.00 0.02 0.00 0.00 54.97 55.30 2bhq s GLU 63 Cb 0.12 -3.47 0.02 0.00 0.10 0.00 0.00 34.13 30.90 2bhq s GLU 63 CO 0.56 0.08 0.53 0.08 0.02 0.00 0.00 175.26 176.53 2bhq s VAL 64 N 0.90 4.97 0.23 2.63 1.01 -1.26 -1.73 120.40 127.14 2bhq s VAL 64 Ca 0.24 -0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.07 2bhq s VAL 64 Cb -0.15 -4.11 0.12 0.00 0.00 0.00 0.00 36.38 32.25 2bhq s VAL 64 CO 0.09 -0.48 1.74 0.58 0.00 0.00 0.00 175.10 177.03 2bhq h VAL 65 N 5.79 1.25 0.00 2.92 2.07 -1.25 -2.82 116.25 124.21 2bhq h VAL 65 Ca -0.26 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.30 2bhq h VAL 65 Cb 1.11 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2bhq h VAL 65 CO 0.84 0.36 0.00 0.61 0.02 0.00 0.00 177.57 179.40 2bhq n GLY 66 N -0.69 -0.13 3.24 2.17 0.00 -1.20 -1.70 105.19 106.89 2bhq n GLY 66 Ca 0.04 -0.96 -0.17 0.00 0.00 0.00 0.00 46.02 44.94 2bhq n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bhq s THR 67 N -2.00 1.28 0.19 2.61 -4.23 -0.46 -1.15 115.64 111.88 2bhq s THR 67 Ca 0.00 -1.83 0.01 0.00 -1.18 0.00 0.00 61.69 58.69 2bhq s THR 67 Cb 0.00 -1.63 -0.05 0.00 1.34 0.00 0.00 72.50 72.16 2bhq s THR 67 CO 0.00 -0.53 0.03 0.42 -0.54 0.00 0.00 174.62 174.01 2bhq s THR 68 N -2.53 0.55 0.96 3.99 -4.23 -0.53 -0.56 115.64 113.30 2bhq s THR 68 Ca 0.11 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 58.53 2bhq s THR 68 Cb -0.03 -2.23 0.17 0.00 1.34 0.00 0.00 72.50 71.75 2bhq s THR 68 CO 0.02 -0.36 1.09 0.00 -0.54 0.00 0.00 174.62 174.84 2bhq s ALA 69 N -3.75 1.12 -0.17 3.99 0.00 -0.29 -0.44 121.76 122.22 2bhq s ALA 69 Ca 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.08 2bhq s ALA 69 Cb 0.07 -3.18 0.04 0.00 0.00 0.00 0.00 23.12 20.04 2bhq s ALA 69 CO 0.06 -2.70 -0.09 0.21 0.00 0.00 0.00 175.76 173.23 2bhq s LYS 70 N -4.89 1.87 0.32 0.00 2.20 -1.21 -4.44 119.74 113.58 2bhq s LYS 70 Ca 0.65 -0.61 -0.24 0.00 -0.36 0.00 0.00 55.97 55.40 2bhq s LYS 70 Cb -0.19 -2.13 -0.10 0.00 -1.51 0.00 0.00 37.83 33.90 2bhq s LYS 70 CO 0.58 -0.37 0.90 0.00 -0.36 0.00 0.00 175.35 176.11 2bhq s ALA 71 N 1.52 3.23 0.00 3.13 0.00 -0.10 -4.85 121.76 124.69 2bhq s ALA 71 Ca 0.01 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.41 2bhq s ALA 71 Cb -0.15 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2bhq s ALA 71 CO -0.09 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.28 2bhq n GLY 72 N 0.44 4.46 0.34 0.00 0.00 -1.26 -4.68 105.19 104.48 2bhq n GLY 72 Ca 0.02 -2.06 0.01 0.00 0.00 0.00 0.00 46.02 43.99 2bhq n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bhq h LYS 73 N 0.00 1.05 -0.58 1.61 1.57 -1.97 -1.35 116.57 116.91 2bhq h LYS 73 Ca 0.00 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2bhq h LYS 73 Cb 0.00 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.04 2bhq h LYS 73 CO 0.00 0.70 0.36 0.00 -0.57 0.00 0.00 179.45 179.94 2bhq h ALA 74 N 1.42 0.75 -0.13 3.86 0.00 -1.99 0.45 119.26 123.61 2bhq h ALA 74 Ca 0.39 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 2bhq h ALA 74 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2bhq h ALA 74 CO -0.16 0.11 -0.47 0.93 0.00 0.00 0.00 179.25 179.66 2bhq h GLU 75 N 0.72 0.34 -0.48 0.00 3.07 -1.84 -1.47 114.58 114.92 2bhq h GLU 75 Ca 0.23 -0.19 -0.08 0.00 -0.50 0.00 0.00 59.36 58.82 2bhq h GLU 75 Cb -0.01 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 2bhq h GLU 75 CO -0.08 0.74 -0.00 0.00 -1.40 0.00 0.00 179.01 178.27 2bhq h ALA 76 N 1.23 0.65 -0.64 3.43 0.00 -0.67 -0.43 119.26 122.83 2bhq h ALA 76 Ca 0.02 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 2bhq h ALA 76 Cb 0.94 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2bhq h ALA 76 CO 0.08 0.46 0.09 1.49 0.00 0.00 0.00 179.25 181.37 2bhq h GLU 77 N 0.71 1.07 -0.67 0.00 4.57 -0.75 -0.30 114.58 119.21 2bhq h GLU 77 Ca 0.14 -0.30 -0.07 0.00 -1.18 0.00 0.00 59.36 57.95 2bhq h GLU 77 Cb 0.52 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 2bhq h GLU 77 CO 0.03 1.00 0.16 0.00 -1.18 0.00 0.00 179.01 179.02 2bhq h ALA 78 N 1.03 1.01 -0.45 2.92 0.00 -1.05 -1.15 119.26 121.58 2bhq h ALA 78 Ca 0.19 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 2bhq h ALA 78 Cb 0.46 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2bhq h ALA 78 CO 0.02 0.64 -0.22 0.00 0.00 0.00 0.00 179.25 179.69 2bhq h ALA 79 N 1.16 0.77 -0.61 0.00 0.00 -0.72 -1.67 119.26 118.18 2bhq h ALA 79 Ca 0.21 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2bhq h ALA 79 Cb 0.36 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2bhq h ALA 79 CO 0.00 0.66 0.08 1.25 0.00 0.00 0.00 179.25 181.24 2bhq h LEU 80 N 0.78 0.98 -0.63 0.00 5.85 -0.73 0.35 115.31 121.92 2bhq h LEU 80 Ca 0.10 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 2bhq h LEU 80 Cb 0.77 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2bhq h LEU 80 CO 0.06 1.00 0.23 -0.33 -0.34 0.00 0.00 178.44 179.06 2bhq h GLU 81 N 0.92 0.96 -0.53 1.25 4.39 -1.07 -1.76 114.58 118.74 2bhq h GLU 81 Ca 0.18 -0.19 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 2bhq h GLU 81 Cb 0.45 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 2bhq h GLU 81 CO 0.02 0.82 -0.06 0.00 -1.16 0.00 0.00 179.01 178.63 2bhq h ALA 82 N 1.09 0.89 -0.54 3.43 0.00 -0.97 -1.92 119.26 121.24 2bhq h ALA 82 Ca 0.21 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 2bhq h ALA 82 Cb 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2bhq h ALA 82 CO -0.01 0.64 -0.03 0.00 0.00 0.00 0.00 179.25 179.85 2bhq h ALA 83 N 1.06 0.94 -0.14 0.00 0.00 -0.65 -0.92 119.26 119.55 2bhq h ALA 83 Ca 0.15 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 54.54 2bhq h ALA 83 Cb 0.59 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2bhq h ALA 83 CO 0.04 0.63 -0.75 -1.49 0.00 0.00 0.00 179.25 177.68 2bhq h TRP 84 N 0.86 0.93 -0.66 0.00 4.06 -1.23 -0.51 115.95 119.40 2bhq h TRP 84 Ca 0.15 -0.41 -0.01 0.00 2.06 0.00 0.00 58.89 60.69 2bhq h TRP 84 Cb 0.54 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 28.52 2bhq h TRP 84 CO 0.03 1.22 0.39 -0.22 -3.56 0.00 0.00 178.44 176.30 2bhq h LYS 85 N 0.48 0.91 -0.48 0.49 3.64 -1.21 -2.57 116.57 117.82 2bhq h LYS 85 Ca -0.04 -0.09 -0.13 0.00 -1.27 0.00 0.00 60.65 59.12 2bhq h LYS 85 Cb 1.36 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2bhq h LYS 85 CO 0.15 0.66 -0.19 0.00 -2.27 0.00 0.00 179.45 177.79 2bhq h ALA 86 N 1.20 0.74 -1.00 5.00 0.00 -1.10 -3.10 119.26 121.00 2bhq h ALA 86 Ca 0.24 -0.38 0.13 0.00 0.00 0.00 0.00 54.91 54.90 2bhq h ALA 86 Cb -0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 17.53 2bhq h ALA 86 CO -0.04 0.67 0.63 0.35 0.00 0.00 0.00 179.25 180.86 2bhq h PHE 87 N 0.85 1.13 -0.99 0.00 3.57 -0.69 0.13 116.94 120.94 2bhq h PHE 87 Ca 0.12 0.03 0.22 0.00 3.53 0.00 0.00 57.97 61.87 2bhq h PHE 87 Cb 0.76 -0.35 -0.09 0.00 2.79 0.00 0.00 35.95 39.06 2bhq h PHE 87 CO 0.05 0.41 0.63 0.87 -2.23 0.00 0.00 178.31 178.04 2bhq h LYS 88 N 0.95 0.50 0.00 1.11 1.57 -1.42 -1.79 116.57 117.49 2bhq h LYS 88 Ca 0.51 -0.03 -0.30 0.00 -1.87 0.00 0.00 60.65 58.96 2bhq h LYS 88 Cb 0.57 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.71 2bhq h LYS 88 CO -0.28 0.33 -2.13 0.25 -0.57 0.00 0.00 179.45 177.04 2bhq n THR 89 N -4.63 1.13 -0.07 -0.16 -2.24 -0.84 -4.52 114.28 102.94 2bhq n THR 89 Ca 0.23 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2bhq n THR 89 Cb 0.73 -0.78 0.29 0.00 -2.10 0.00 0.00 70.33 68.47 2bhq n THR 89 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 2bhq h TRP 90 N 0.00 0.69 0.00 4.78 2.91 -0.84 -1.63 115.95 121.86 2bhq h TRP 90 Ca -0.45 -0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.53 2bhq h TRP 90 Cb 1.91 -0.22 -0.00 0.00 -0.51 0.00 0.00 29.16 30.34 2bhq h TRP 90 CO 0.01 0.54 -0.08 1.57 -1.03 0.00 0.00 178.44 179.45 2bhq h LYS 91 N 0.69 0.00 -0.01 2.65 2.10 -1.44 -2.49 116.57 118.06 2bhq h LYS 91 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 2bhq h LYS 91 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 2bhq h LYS 91 CO -0.02 0.08 -0.26 -0.25 -2.00 0.00 0.00 179.45 177.01 2bhq n ASP 92 N -3.52 1.12 -4.77 7.07 8.00 -0.62 -4.91 116.55 118.92 2bhq n ASP 92 Ca -0.02 -0.97 -0.41 0.00 0.71 0.00 0.00 54.79 54.11 2bhq n ASP 92 Cb 0.21 0.15 -0.01 0.00 -0.02 0.00 0.00 41.12 41.44 2bhq n ASP 92 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2bhq s TRP 93 N -2.47 2.88 0.58 1.24 0.52 -0.94 -4.94 118.94 115.81 2bhq s TRP 93 Ca 0.25 1.30 -0.20 0.00 0.02 0.00 0.00 56.10 57.47 2bhq s TRP 93 Cb 0.19 -3.81 -0.04 0.00 -1.15 0.00 0.00 33.47 28.66 2bhq s TRP 93 CO 0.51 -2.32 1.29 -2.14 0.02 0.00 0.00 176.95 174.32 2bhq s PRO 94 N -1.81 2.98 0.34 4.98 0.02 -1.26 -4.83 135.00 135.42 2bhq s PRO 94 Ca 0.51 2.07 0.02 0.00 0.02 0.00 0.00 61.00 63.62 2bhq s PRO 94 Cb -0.42 -2.08 0.61 0.00 0.02 0.00 0.00 34.50 32.63 2bhq s PRO 94 CO 0.56 -1.26 1.97 0.37 -0.33 0.00 0.00 177.00 178.31 2bhq h GLN 95 N 1.12 0.88 -0.72 5.54 5.75 -1.94 -1.31 115.11 124.43 2bhq h GLN 95 Ca -0.51 -0.05 0.06 0.00 -0.15 0.00 0.00 58.65 58.00 2bhq h GLN 95 Cb 1.31 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 29.61 2bhq h GLN 95 CO 0.56 0.58 0.47 0.93 -2.65 0.00 0.00 178.83 178.72 2bhq h GLU 96 N 0.91 0.74 -0.21 1.69 3.07 -1.98 0.89 114.58 119.68 2bhq h GLU 96 Ca 0.30 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 59.00 2bhq h GLU 96 Cb 0.05 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 27.79 2bhq h GLU 96 CO -0.08 0.49 -0.30 -0.44 -1.40 0.00 0.00 179.01 177.27 2bhq h ASP 97 N 0.76 0.64 -0.57 1.42 5.19 -1.60 -1.79 116.42 120.46 2bhq h ASP 97 Ca 0.31 -0.51 -0.08 0.00 -0.62 0.00 0.00 57.03 56.13 2bhq h ASP 97 Cb 0.24 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.54 2bhq h ASP 97 CO -0.10 1.03 0.06 0.03 -3.12 0.00 0.00 179.24 177.14 2bhq h ARG 98 N 0.27 0.96 -0.70 3.56 3.08 -0.97 -2.22 114.38 118.36 2bhq h ARG 98 Ca 0.02 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.73 2bhq h ARG 98 Cb 0.88 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 2bhq h ARG 98 CO 0.07 0.94 0.17 0.77 -1.07 0.00 0.00 179.97 180.85 2bhq h SER 99 N 0.85 1.05 -0.26 7.04 0.02 -0.83 -1.97 113.55 119.45 2bhq h SER 99 Ca 0.17 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 60.85 2bhq h SER 99 Cb 0.46 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 2bhq h SER 99 CO 0.02 1.00 0.02 0.03 -1.14 0.00 0.00 176.83 176.76 2bhq h ARG 100 N 1.05 0.56 -0.55 3.45 3.08 -1.15 -0.92 114.38 119.90 2bhq h ARG 100 Ca 0.22 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 2bhq h ARG 100 Cb 0.36 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2bhq h ARG 100 CO 0.00 0.57 0.15 1.25 -1.07 0.00 0.00 179.97 180.87 2bhq h LEU 101 N 0.53 0.82 -0.50 3.04 6.46 -0.78 -1.23 115.31 123.65 2bhq h LEU 101 Ca 0.12 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.64 2bhq h LEU 101 Cb 0.31 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 2bhq h LEU 101 CO 0.01 0.82 0.25 -0.07 -0.62 0.00 0.00 178.44 178.83 2bhq h LEU 102 N 0.77 0.65 -1.47 2.25 4.07 -0.76 -1.69 115.31 119.13 2bhq h LEU 102 Ca 0.17 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.01 2bhq h LEU 102 Cb 0.32 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.86 2bhq h LEU 102 CO -0.00 0.59 0.32 -0.07 -1.08 0.00 0.00 178.44 178.19 2bhq h LEU 103 N 0.66 0.59 -0.33 1.67 3.38 -0.83 -0.14 115.31 120.31 2bhq h LEU 103 Ca 0.17 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 2bhq h LEU 103 Cb 0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2bhq h LEU 103 CO -0.02 0.44 0.01 0.50 0.09 0.00 0.00 178.44 179.46 2bhq h LYS 104 N 0.69 0.58 -0.97 1.13 1.63 -0.82 -1.71 116.57 117.10 2bhq h LYS 104 Ca 0.18 -0.18 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 2bhq h LYS 104 Cb -0.05 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 31.47 2bhq h LYS 104 CO -0.04 0.70 0.64 0.00 -3.45 0.00 0.00 179.45 177.30 2bhq h ALA 105 N 0.86 1.33 -0.68 5.00 0.00 -0.34 -1.10 119.26 124.32 2bhq h ALA 105 Ca 0.09 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2bhq h ALA 105 Cb 0.43 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2bhq h ALA 105 CO 0.02 0.60 0.18 0.00 0.00 0.00 0.00 179.25 180.04 2bhq h ALA 106 N 1.41 0.89 -0.74 0.00 0.00 -0.82 0.03 119.26 120.04 2bhq h ALA 106 Ca 0.37 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2bhq h ALA 106 Cb -0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 2bhq h ALA 106 CO -0.09 0.60 0.25 0.00 0.00 0.00 0.00 179.25 180.01 2bhq h ALA 107 N 1.08 1.04 -0.41 0.00 0.00 -0.58 0.17 119.26 120.55 2bhq h ALA 107 Ca 0.21 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2bhq h ALA 107 Cb 0.35 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2bhq h ALA 107 CO 0.00 0.65 -0.26 -0.07 0.00 0.00 0.00 179.25 179.57 2bhq h LEU 108 N 1.09 0.90 -0.57 0.00 3.38 -0.88 -2.34 115.31 116.89 2bhq h LEU 108 Ca 0.24 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 2bhq h LEU 108 Cb 0.27 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2bhq h LEU 108 CO -0.01 1.10 -0.19 -0.03 0.09 0.00 0.00 178.44 179.41 2bhq h MET 109 N 0.74 0.95 -0.72 1.13 4.05 -0.64 -2.81 114.93 117.63 2bhq h MET 109 Ca 0.09 -0.38 -0.00 0.00 -0.28 0.00 0.00 59.70 59.13 2bhq h MET 109 Cb 0.81 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.53 2bhq h MET 109 CO 0.07 1.05 0.44 -0.09 0.23 0.00 0.00 176.91 178.60 2bhq h ARG 110 N 0.83 0.97 0.00 0.39 2.43 -0.81 -1.12 114.38 117.06 2bhq h ARG 110 Ca 0.11 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2bhq h ARG 110 Cb 0.75 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2bhq h ARG 110 CO 0.06 0.68 0.00 0.54 -1.51 0.00 0.00 179.97 179.74 2bhq n ARG 111 N -4.39 0.16 -0.28 0.20 1.74 -0.89 -2.71 116.66 110.48 2bhq n ARG 111 Ca 0.07 0.29 0.09 0.00 -0.77 0.00 0.00 57.85 57.54 2bhq n ARG 111 Cb 0.06 -1.75 0.21 0.00 -1.02 0.00 0.00 32.46 29.96 2bhq n ARG 111 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2bhq n ARG 112 N -2.03 2.23 -0.01 5.56 1.74 -0.49 -4.82 116.66 118.84 2bhq n ARG 112 Ca 0.04 -2.71 -0.11 0.00 -0.77 0.00 0.00 57.85 54.30 2bhq n ARG 112 Cb 0.28 -1.69 -0.05 0.00 -1.02 0.00 0.00 32.46 29.99 2bhq n ARG 112 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2bhq h LYS 113 N 1.02 -0.41 -0.85 5.56 1.57 -1.18 -1.53 116.57 120.76 2bhq h LYS 113 Ca 0.00 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 2bhq h LYS 113 Cb 1.24 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 33.58 2bhq h LYS 113 CO 0.12 -0.27 0.53 0.00 -0.57 0.00 0.00 179.45 179.26 2bhq h ARG 114 N -0.43 0.95 -0.35 3.15 2.47 -1.87 0.28 114.38 118.59 2bhq h ARG 114 Ca 0.09 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 2bhq h ARG 114 Cb 0.58 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.67 2bhq h ARG 114 CO -0.39 0.63 0.17 1.49 0.56 0.00 0.00 179.97 182.44 2bhq h GLU 115 N 0.98 0.50 -0.64 0.04 4.81 -1.79 0.06 114.58 118.53 2bhq h GLU 115 Ca 0.37 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.44 2bhq h GLU 115 Cb 0.14 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2bhq h GLU 115 CO -0.16 0.45 0.06 -0.07 -0.73 0.00 0.00 179.01 178.55 2bhq h LEU 116 N 0.43 1.05 -0.34 1.64 3.38 -0.81 -1.20 115.31 119.45 2bhq h LEU 116 Ca 0.12 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2bhq h LEU 116 Cb 0.11 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2bhq h LEU 116 CO -0.02 1.07 0.15 -0.33 0.09 0.00 0.00 178.44 179.40 2bhq h GLU 117 N 1.01 0.50 -0.55 1.13 5.08 -0.72 -1.84 114.58 119.19 2bhq h GLU 117 Ca 0.19 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2bhq h GLU 117 Cb 0.49 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 2bhq h GLU 117 CO 0.02 0.49 0.25 0.00 -1.00 0.00 0.00 179.01 178.77 2bhq h ALA 118 N 0.99 1.41 -0.40 3.43 0.00 -0.79 -1.19 119.26 122.71 2bhq h ALA 118 Ca 0.11 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2bhq h ALA 118 Cb 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2bhq h ALA 118 CO -0.01 0.46 -0.11 1.15 0.00 0.00 0.00 179.25 180.74 2bhq h THR 119 N 0.78 1.25 -0.51 0.00 2.02 -0.86 -2.20 112.91 113.39 2bhq h THR 119 Ca 0.19 -1.13 -0.10 0.00 0.77 0.00 0.00 66.41 66.14 2bhq h THR 119 Cb 0.10 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 2bhq h THR 119 CO -0.02 0.38 -0.07 -0.07 0.37 0.00 0.00 175.52 176.10 2bhq h LEU 120 N 0.65 0.95 -0.11 2.58 3.38 -0.52 0.21 115.31 122.46 2bhq h LEU 120 Ca 0.11 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.78 2bhq h LEU 120 Cb 0.56 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2bhq h LEU 120 CO 0.03 1.07 -0.10 0.58 0.09 0.00 0.00 178.44 180.11 2bhq h VAL 121 N 0.82 0.71 -0.02 1.22 2.07 -0.92 -1.10 116.25 119.03 2bhq h VAL 121 Ca 0.14 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.41 2bhq h VAL 121 Cb 0.63 0.71 0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2bhq h VAL 121 CO 0.04 0.00 -0.99 1.88 0.02 0.00 0.00 177.57 178.53 2bhq h TYR 122 N -0.13 0.93 0.18 1.57 -1.99 -1.30 -2.41 116.97 113.82 2bhq h TYR 122 Ca 0.08 -0.49 -0.31 0.00 2.00 0.00 0.00 58.73 60.00 2bhq h TYR 122 Cb 0.23 -0.11 0.02 0.00 2.00 0.00 0.00 36.73 38.87 2bhq h TYR 122 CO -0.22 1.32 -1.43 1.49 -0.00 0.00 0.00 178.16 179.32 2bhq h GLU 123 N 0.37 0.38 0.00 4.88 4.81 -0.54 -3.37 114.58 121.11 2bhq h GLU 123 Ca -0.11 -0.66 0.00 0.00 -0.13 0.00 0.00 59.36 58.47 2bhq h GLU 123 Cb 1.63 0.24 0.00 0.00 0.63 0.00 0.00 28.75 31.25 2bhq h GLU 123 CO 0.19 1.30 0.00 1.33 -0.73 0.00 0.00 179.01 181.10 2bhq n VAL 124 N -3.59 0.90 -2.54 0.32 0.24 -0.44 -4.47 118.33 108.75 2bhq n VAL 124 Ca -0.15 -0.93 -0.12 0.00 -2.04 0.00 0.00 64.34 61.10 2bhq n VAL 124 Cb 1.06 0.55 0.01 0.00 -1.47 0.00 0.00 33.84 34.00 2bhq n VAL 124 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bhq n GLY 125 N -0.45 0.01 3.82 7.63 0.00 -0.91 -4.66 105.19 110.63 2bhq n GLY 125 Ca 0.00 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 2bhq n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bhq s LYS 126 N -4.98 4.19 1.12 1.61 1.02 -1.21 -4.28 119.74 117.20 2bhq s LYS 126 Ca 0.12 0.75 -0.19 0.00 0.02 0.00 0.00 55.97 56.67 2bhq s LYS 126 Cb -0.05 -3.02 0.27 0.00 -0.52 0.00 0.00 37.83 34.50 2bhq s LYS 126 CO 0.14 0.50 1.24 0.54 -0.92 0.00 0.00 175.35 176.85 2bhq s ASN 127 N -1.49 1.71 0.14 2.83 2.20 -1.26 -4.15 114.94 114.92 2bhq s ASN 127 Ca 0.37 0.33 -0.18 0.00 -0.94 0.00 0.00 52.86 52.45 2bhq s ASN 127 Cb -0.17 -0.38 0.00 0.00 -2.00 0.00 0.00 41.25 38.70 2bhq s ASN 127 CO 0.20 -3.61 1.75 -0.50 -2.94 0.00 0.00 177.10 172.00 2bhq h TRP 128 N -2.24 0.16 -0.23 1.54 4.06 -1.89 -1.63 115.95 115.72 2bhq h TRP 128 Ca -0.43 0.01 -0.16 0.00 2.06 0.00 0.00 58.89 60.37 2bhq h TRP 128 Cb 1.25 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 29.37 2bhq h TRP 128 CO -2.06 0.07 -0.52 0.28 -3.56 0.00 0.00 178.44 172.66 2bhq h VAL 129 N 0.21 1.30 -0.73 1.49 2.07 -1.93 -1.10 116.25 117.57 2bhq h VAL 129 Ca 0.12 -1.73 -0.05 0.00 0.82 0.00 0.00 66.70 65.86 2bhq h VAL 129 Cb 0.09 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2bhq h VAL 129 CO -0.13 0.55 0.27 -0.33 0.02 0.00 0.00 177.57 177.95 2bhq h GLU 130 N 0.51 1.11 -0.47 1.57 4.39 -1.90 -0.58 114.58 119.21 2bhq h GLU 130 Ca 0.02 -0.21 -0.07 0.00 0.34 0.00 0.00 59.36 59.43 2bhq h GLU 130 Cb 1.07 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 2bhq h GLU 130 CO 0.10 0.92 0.00 0.00 -1.16 0.00 0.00 179.01 178.87 2bhq h ALA 131 N 1.21 0.64 -0.72 3.43 0.00 -1.11 -2.22 119.26 120.50 2bhq h ALA 131 Ca 0.24 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2bhq h ALA 131 Cb 0.24 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2bhq h ALA 131 CO -0.02 0.44 0.18 0.66 0.00 0.00 0.00 179.25 180.51 2bhq h SER 132 N 0.69 1.09 -0.55 0.00 4.64 -0.85 -2.24 113.55 116.33 2bhq h SER 132 Ca 0.13 -0.23 -0.05 0.00 -0.47 0.00 0.00 61.79 61.17 2bhq h SER 132 Cb 0.50 -0.29 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 2bhq h SER 132 CO 0.02 1.04 0.17 0.00 -0.87 0.00 0.00 176.83 177.19 2bhq h ALA 133 N 1.10 1.19 0.47 5.18 0.00 -0.99 -0.57 119.26 125.64 2bhq h ALA 133 Ca 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2bhq h ALA 133 Cb 0.37 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2bhq h ALA 133 CO 0.00 0.56 -0.23 0.22 0.00 0.00 0.00 179.25 179.81 2bhq h ASP 134 N 0.87 -0.54 -0.68 0.00 1.82 -1.05 -1.28 116.42 115.56 2bhq h ASP 134 Ca 0.19 -0.04 -0.04 0.00 -0.39 0.00 0.00 57.03 56.75 2bhq h ASP 134 Cb 0.27 0.14 -0.03 0.00 0.68 0.00 0.00 39.33 40.39 2bhq h ASP 134 CO -0.01 -0.29 0.26 0.58 -1.61 0.00 0.00 179.24 178.17 2bhq h VAL 135 N -0.76 1.24 -0.82 2.25 2.07 -1.33 -2.08 116.25 116.82 2bhq h VAL 135 Ca -0.06 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 2bhq h VAL 135 Cb 0.54 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 2bhq h VAL 135 CO 0.11 0.31 0.38 0.00 0.02 0.00 0.00 177.57 178.39 2bhq h ALA 136 N 1.27 1.14 -0.43 1.67 0.00 -1.03 -1.89 119.26 119.98 2bhq h ALA 136 Ca 0.23 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2bhq h ALA 136 Cb 0.22 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2bhq h ALA 136 CO -0.02 0.65 -0.07 1.49 0.00 0.00 0.00 179.25 181.30 2bhq h GLU 137 N 1.16 0.75 -0.43 0.00 4.81 -0.78 -0.99 114.58 119.10 2bhq h GLU 137 Ca 0.28 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2bhq h GLU 137 Cb 0.13 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2bhq h GLU 137 CO -0.03 0.80 0.19 0.00 -0.73 0.00 0.00 179.01 179.24 2bhq h ALA 138 N 1.24 0.55 -0.67 2.92 0.00 -0.83 -0.16 119.26 122.31 2bhq h ALA 138 Ca 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2bhq h ALA 138 Cb 0.52 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2bhq h ALA 138 CO 0.03 0.13 0.38 0.82 0.00 0.00 0.00 179.25 180.61 2bhq h ILE 139 N 0.55 1.20 -0.70 0.00 2.04 -1.09 -2.45 117.51 117.06 2bhq h ILE 139 Ca 0.15 -0.49 0.02 0.00 1.00 0.00 0.00 64.86 65.54 2bhq h ILE 139 Cb 0.15 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 2bhq h ILE 139 CO -0.02 0.22 0.45 0.44 0.00 0.00 0.00 178.15 179.24 2bhq h ASP 140 N 0.91 0.74 -0.67 1.72 3.32 -0.65 -0.64 116.42 121.15 2bhq h ASP 140 Ca 0.24 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.30 2bhq h ASP 140 Cb 0.02 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 2bhq h ASP 140 CO -0.04 0.52 0.43 -0.26 -1.72 0.00 0.00 179.24 178.17 2bhq h PHE 141 N 0.88 0.81 -0.04 4.55 0.05 -0.62 0.27 116.94 122.85 2bhq h PHE 141 Ca 0.27 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 62.08 2bhq h PHE 141 Cb -0.02 -0.27 -0.00 0.00 2.00 0.00 0.00 35.95 37.66 2bhq h PHE 141 CO -0.04 0.49 0.01 0.82 -0.18 0.00 0.00 178.31 179.41 2bhq h ILE 142 N 0.86 1.20 -0.71 -0.55 2.04 -0.98 -0.13 117.51 119.25 2bhq h ILE 142 Ca 0.25 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 2bhq h ILE 142 Cb -0.05 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 2bhq h ILE 142 CO -0.08 0.16 0.40 -0.33 0.00 0.00 0.00 178.15 178.30 2bhq h GLU 143 N -0.18 0.99 0.10 2.37 4.39 -0.91 -1.53 114.58 119.82 2bhq h GLU 143 Ca 0.01 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 2bhq h GLU 143 Cb 0.26 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2bhq h GLU 143 CO 0.00 0.73 -0.05 -0.92 -1.16 0.00 0.00 179.01 177.61 2bhq h TYR 144 N 0.98 -0.13 -0.00 4.33 3.20 -0.40 -3.07 116.97 121.88 2bhq h TYR 144 Ca 0.25 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.07 2bhq h TYR 144 Cb 0.03 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 2bhq h TYR 144 CO -0.00 0.29 -0.25 1.88 -1.64 0.00 0.00 178.16 178.43 2bhq h TYR 145 N -0.59 0.00 -0.68 -3.82 0.99 -1.02 0.11 116.97 111.96 2bhq h TYR 145 Ca -0.01 -0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 2bhq h TYR 145 Cb 0.47 -0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.17 2bhq h TYR 145 CO 0.07 0.25 0.40 0.00 -0.00 0.00 0.00 178.16 178.88 2bhq h ALA 146 N 1.75 0.87 -0.01 3.88 0.00 -1.29 -0.66 119.26 123.81 2bhq h ALA 146 Ca -0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 2bhq h ALA 146 Cb 0.44 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.97 2bhq h ALA 146 CO 0.03 0.35 -0.63 0.00 0.00 0.00 0.00 179.25 179.00 2bhq h ARG 147 N 0.93 0.44 -0.68 0.00 3.08 -1.31 -3.31 114.38 113.52 2bhq h ARG 147 Ca 0.24 -0.47 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 2bhq h ARG 147 Cb -0.01 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 2bhq h ARG 147 CO -0.04 1.12 0.42 0.00 -1.07 0.00 0.00 179.97 180.39 2bhq h ALA 148 N 0.34 1.45 -0.42 0.04 0.00 -0.68 -2.43 119.26 117.55 2bhq h ALA 148 Ca -0.08 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2bhq h ALA 148 Cb 1.34 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2bhq h ALA 148 CO 0.13 0.48 0.28 0.00 0.00 0.00 0.00 179.25 180.14 2bhq h ALA 149 N 1.52 1.86 0.00 0.00 0.00 -1.20 -1.16 119.26 120.28 2bhq h ALA 149 Ca 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2bhq h ALA 149 Cb -0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2bhq h ALA 149 CO -0.05 0.08 -0.04 -0.07 0.00 0.00 0.00 179.25 179.18 2bhq h LEU 150 N 0.43 0.00 -0.36 0.00 3.38 -1.55 -1.85 115.31 115.37 2bhq h LEU 150 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2bhq h LEU 150 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2bhq h LEU 150 CO -0.04 0.04 0.00 0.54 0.09 0.00 0.00 178.44 179.06 2bhq n ARG 151 N -3.23 0.14 -0.16 1.13 5.12 -0.44 -2.59 116.66 116.63 2bhq n ARG 151 Ca -0.01 0.31 0.08 0.00 -1.93 0.00 0.00 57.85 56.30 2bhq n ARG 151 Cb 0.22 -1.73 0.16 0.00 -1.16 0.00 0.00 32.46 29.95 2bhq n ARG 151 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2bhq n TYR 152 N -1.99 0.42 -1.89 -1.55 4.02 -0.69 -4.92 117.16 110.56 2bhq n TYR 152 Ca 0.03 -0.32 -0.36 0.00 -0.01 0.00 0.00 57.90 57.24 2bhq n TYR 152 Cb 0.25 -0.01 0.05 0.00 -0.02 0.00 0.00 39.34 39.61 2bhq n TYR 152 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 2bhq s ARG 153 N -1.11 2.79 -0.02 -0.72 1.70 -1.07 -4.42 118.95 116.10 2bhq s ARG 153 Ca 0.28 1.95 -0.35 0.00 -0.47 0.00 0.00 55.73 57.13 2bhq s ARG 153 Cb 0.16 -1.90 -0.13 0.00 -0.57 0.00 0.00 34.95 32.50 2bhq s ARG 153 CO 0.21 -1.38 1.73 0.98 -1.08 0.00 0.00 175.30 175.76 2bhq n TYR 154 N -1.71 2.22 -3.75 5.89 4.19 -1.26 -1.83 117.16 120.90 2bhq n TYR 154 Ca 0.15 0.19 -0.37 0.00 3.31 0.00 0.00 57.90 61.17 2bhq n TYR 154 Cb 0.49 -2.58 -0.12 0.00 0.49 0.00 0.00 39.34 37.62 2bhq n TYR 154 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 2bhq s PRO 155 N 2.74 3.12 0.03 2.98 0.04 -1.26 -5.12 135.00 137.53 2bhq s PRO 155 Ca 0.88 -0.84 0.26 0.00 0.04 0.00 0.00 61.00 61.34 2bhq s PRO 155 Cb -0.75 -3.39 0.63 0.00 0.04 0.00 0.00 34.50 31.03 2bhq s PRO 155 CO 0.49 -0.44 1.51 0.00 0.04 0.00 0.00 177.00 178.60 2bhq n ALA 156 N 4.88 3.12 -2.57 8.56 0.00 -0.76 -4.94 120.51 128.79 2bhq n ALA 156 Ca -0.14 -0.27 -0.41 0.00 0.00 0.00 0.00 53.44 52.62 2bhq n ALA 156 Cb 0.48 -1.21 -0.04 0.00 0.00 0.00 0.00 19.45 18.68 2bhq n ALA 156 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2bhq s VAL 157 N -3.04 4.83 -0.38 0.00 1.01 -1.14 -5.02 120.40 116.67 2bhq s VAL 157 Ca 0.10 1.79 -0.28 0.00 0.00 0.00 0.00 61.98 63.60 2bhq s VAL 157 Cb 0.17 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.37 2bhq s VAL 157 CO 0.67 0.26 1.02 -0.70 0.00 0.00 0.00 175.10 176.35 2bhq s GLU 158 N 0.54 3.89 0.26 2.72 2.12 -1.26 -4.63 118.70 122.34 2bhq s GLU 158 Ca 0.44 0.74 0.06 0.00 0.36 0.00 0.00 54.97 56.57 2bhq s GLU 158 Cb -0.20 -3.80 -0.06 0.00 0.26 0.00 0.00 34.13 30.33 2bhq s GLU 158 CO 0.24 -1.03 -0.05 0.14 -0.54 0.00 0.00 175.26 174.02 2bhq s VAL 159 N 3.74 1.51 -0.05 3.70 -7.23 -1.26 -5.10 120.40 115.71 2bhq s VAL 159 Ca 0.43 -2.11 -0.23 0.00 -1.81 0.00 0.00 61.98 58.26 2bhq s VAL 159 Cb -0.11 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 2bhq s VAL 159 CO 0.20 -0.34 0.67 -0.69 -0.31 0.00 0.00 175.10 174.63 2bhq s VAL 160 N -3.10 5.01 0.75 1.32 1.01 -1.26 -5.06 120.40 119.07 2bhq s VAL 160 Ca 0.28 1.38 -0.11 0.00 0.00 0.00 0.00 61.98 63.53 2bhq s VAL 160 Cb 0.04 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 32.45 2bhq s VAL 160 CO 0.11 0.30 1.09 -2.16 0.00 0.00 0.00 175.10 174.44 2bhq s PRO 161 N 0.53 2.45 -0.00 2.72 0.04 -1.26 -4.98 135.00 134.49 2bhq s PRO 161 Ca 0.35 0.61 0.00 0.00 0.04 0.00 0.00 61.00 62.01 2bhq s PRO 161 Cb -0.18 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2bhq s PRO 161 CO 0.18 -1.36 -0.01 -0.47 0.04 0.00 0.00 177.00 175.38 2bhq s TYR 162 N -3.21 0.13 0.23 0.56 5.04 -1.26 -5.13 117.35 113.70 2bhq s TYR 162 Ca 0.60 -0.02 -0.31 0.00 -2.44 0.00 0.00 57.07 54.89 2bhq s TYR 162 Cb -0.13 -0.09 -0.13 0.00 0.35 0.00 0.00 41.96 41.95 2bhq s TYR 162 CO 0.53 -0.01 1.43 -2.30 -1.34 0.00 0.00 175.55 173.87 2bhq n PRO 163 N 3.11 2.08 -1.26 4.97 -0.02 -1.26 -2.65 135.00 139.97 2bhq n PRO 163 Ca -0.13 0.74 -0.09 0.00 -2.02 0.00 0.00 63.50 62.00 2bhq n PRO 163 Cb 0.59 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.61 2bhq n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bhq n GLY 164 N 2.28 1.02 3.03 -1.23 0.00 -1.26 -4.99 105.19 104.04 2bhq n GLY 164 Ca 0.12 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 2bhq n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bhq s GLU 165 N -2.54 0.46 -0.19 1.61 2.02 -1.08 -2.04 118.70 116.93 2bhq s GLU 165 Ca 0.00 -0.85 -0.05 0.00 0.02 0.00 0.00 54.97 54.09 2bhq s GLU 165 Cb 0.00 0.07 -0.03 0.00 0.10 0.00 0.00 34.13 34.27 2bhq s GLU 165 CO 0.00 -0.05 -0.00 0.34 0.02 0.00 0.00 175.26 175.56 2bhq s ASP 166 N -2.00 4.90 -0.21 -0.19 -1.08 -0.47 -4.59 116.67 113.03 2bhq s ASP 166 Ca -0.07 -0.16 0.01 0.00 -0.52 0.00 0.00 52.55 51.82 2bhq s ASP 166 Cb -0.04 -1.83 0.04 0.00 -1.46 0.00 0.00 42.92 39.64 2bhq s ASP 166 CO -0.04 0.10 -0.12 0.20 0.52 0.00 0.00 175.17 175.84 2bhq s ASN 167 N 0.79 3.55 -0.14 -0.34 0.01 -1.26 -0.96 114.94 116.59 2bhq s ASN 167 Ca 0.00 -0.95 0.00 0.00 -0.71 0.00 0.00 52.86 51.20 2bhq s ASN 167 Cb -0.14 -1.32 0.03 0.00 0.41 0.00 0.00 41.25 40.23 2bhq s ASN 167 CO 0.02 -0.14 -0.11 -0.70 -1.51 0.00 0.00 177.10 174.66 2bhq s GLU 168 N 1.33 2.01 -0.06 -0.60 2.12 -0.11 -4.95 118.70 118.44 2bhq s GLU 168 Ca -0.02 -0.49 0.02 0.00 0.36 0.00 0.00 54.97 54.84 2bhq s GLU 168 Cb -0.16 -1.98 -0.03 0.00 0.26 0.00 0.00 34.13 32.22 2bhq s GLU 168 CO -0.08 -0.27 -0.11 -1.12 -0.54 0.00 0.00 175.26 173.13 2bhq s SER 169 N 1.55 4.27 0.15 -1.70 0.01 -1.26 -0.50 113.70 116.23 2bhq s SER 169 Ca 0.04 -0.14 -0.13 0.00 1.31 0.00 0.00 55.95 57.03 2bhq s SER 169 Cb -0.13 -1.01 0.01 0.00 0.21 0.00 0.00 66.02 65.10 2bhq s SER 169 CO -0.10 0.34 0.38 0.72 0.41 0.00 0.00 173.24 174.99 2bhq s PHE 170 N -0.70 0.05 0.09 2.43 -0.71 -0.30 -2.86 117.98 115.98 2bhq s PHE 170 Ca 0.11 -0.41 -0.04 0.00 -1.04 0.00 0.00 56.93 55.55 2bhq s PHE 170 Cb -0.11 0.16 -0.05 0.00 -1.21 0.00 0.00 43.02 41.81 2bhq s PHE 170 CO 0.01 -0.75 0.31 0.71 -1.34 0.00 0.00 175.22 174.16 2bhq s TYR 171 N -3.88 3.52 0.02 3.49 1.51 -1.26 -1.06 117.35 119.68 2bhq s TYR 171 Ca 0.09 0.49 0.01 0.00 -1.01 0.00 0.00 57.07 56.65 2bhq s TYR 171 Cb 0.02 -1.94 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 2bhq s TYR 171 CO -0.05 0.52 -0.05 0.14 -1.11 0.00 0.00 175.55 175.00 2bhq s VAL 172 N -1.52 0.28 0.82 0.71 -7.23 -0.25 -4.88 120.40 108.33 2bhq s VAL 172 Ca 0.36 -0.80 -0.11 0.00 -1.81 0.00 0.00 61.98 59.62 2bhq s VAL 172 Cb -0.13 -0.36 0.09 0.00 0.56 0.00 0.00 36.38 36.54 2bhq s VAL 172 CO 0.23 -0.34 1.10 -2.16 -0.31 0.00 0.00 175.10 173.62 2bhq s PRO 173 N -1.21 1.86 -0.07 4.82 0.04 -1.26 -1.02 135.00 138.16 2bhq s PRO 173 Ca -0.10 1.14 -0.24 0.00 0.04 0.00 0.00 61.00 61.83 2bhq s PRO 173 Cb -0.08 -1.85 -0.29 0.00 0.04 0.00 0.00 34.50 32.31 2bhq s PRO 173 CO -0.00 -1.91 0.87 -0.07 0.04 0.00 0.00 177.00 175.93 2bhq h LEU 174 N -1.32 0.33 0.00 -3.56 3.38 -1.89 -3.44 115.31 108.81 2bhq h LEU 174 Ca -0.45 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 56.57 2bhq h LEU 174 Cb 1.25 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2bhq h LEU 174 CO 0.51 1.26 0.00 0.61 0.09 0.00 0.00 178.44 180.91 2bhq n GLY 175 N 1.60 0.04 3.76 0.83 0.00 -1.26 -5.02 105.19 105.15 2bhq n GLY 175 Ca -0.12 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 2bhq n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bhq s ALA 176 N -1.00 3.65 0.33 4.61 0.00 -1.26 -1.78 121.76 126.32 2bhq s ALA 176 Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.51 2bhq s ALA 176 Cb 0.00 -2.30 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 2bhq s ALA 176 CO 0.00 0.21 0.17 0.20 0.00 0.00 0.00 175.76 176.35 2bhq s GLY 177 N 0.08 2.21 -0.04 0.00 0.00 -0.53 -1.10 107.32 107.94 2bhq s GLY 177 Ca 0.16 -1.71 0.05 0.00 0.00 0.00 0.00 44.72 43.22 2bhq s GLY 177 CO 0.04 -1.61 -0.20 0.54 0.00 0.00 0.00 173.10 171.87 2bhq s VAL 178 N -3.50 2.60 -0.16 1.40 0.11 -0.53 -1.32 120.40 118.99 2bhq s VAL 178 Ca 0.34 -0.90 -0.01 0.00 -2.93 0.00 0.00 61.98 58.48 2bhq s VAL 178 Cb 0.04 -1.97 -0.01 0.00 -1.53 0.00 0.00 36.38 32.91 2bhq s VAL 178 CO 0.19 0.58 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.74 2bhq s VAL 179 N -0.62 3.09 -0.33 2.04 1.01 0.08 -0.95 120.40 124.73 2bhq s VAL 179 Ca 0.09 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.47 2bhq s VAL 179 Cb -0.11 -2.33 0.09 0.00 0.00 0.00 0.00 36.38 34.02 2bhq s VAL 179 CO 0.00 0.50 0.03 -0.63 0.00 0.00 0.00 175.10 175.00 2bhq s ILE 180 N 0.74 2.53 0.35 2.22 1.01 -0.13 -0.25 121.20 127.67 2bhq s ILE 180 Ca -0.05 -2.00 -0.01 0.00 0.00 0.00 0.00 60.65 58.60 2bhq s ILE 180 Cb -0.15 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 2bhq s ILE 180 CO 0.02 -0.41 0.57 0.00 0.00 0.00 0.00 174.94 175.11 2bhq s ALA 181 N 1.04 3.66 0.52 9.38 0.00 -0.91 -2.43 121.76 133.02 2bhq s ALA 181 Ca 0.03 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 2bhq s ALA 181 Cb -0.20 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.74 2bhq s ALA 181 CO -0.06 -0.01 0.78 -1.25 0.00 0.00 0.00 175.76 175.22 2bhq s PRO 182 N -4.23 2.98 0.09 0.00 0.04 -1.22 -3.34 135.00 129.32 2bhq s PRO 182 Ca 0.41 -0.29 0.23 0.00 0.04 0.00 0.00 61.00 61.40 2bhq s PRO 182 Cb -0.10 -2.43 0.15 0.00 0.04 0.00 0.00 34.50 32.17 2bhq s PRO 182 CO 0.36 -0.48 1.13 -2.67 0.04 0.00 0.00 177.00 175.38 2bhq n TRP 183 N -2.31 0.46 0.17 0.56 4.27 -1.26 -3.90 117.44 115.43 2bhq n TRP 183 Ca 0.03 0.13 0.06 0.00 -3.89 0.00 0.00 57.50 53.83 2bhq n TRP 183 Cb 0.58 -0.59 0.13 0.00 -1.36 0.00 0.00 31.31 30.07 2bhq n TRP 183 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 2bhq h ASN 184 N 0.00 0.00 -2.02 -0.67 -1.07 -1.96 -3.33 115.58 106.53 2bhq h ASN 184 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 56.30 55.85 2bhq h ASN 184 Cb 0.77 0.00 -0.40 0.00 -2.07 0.00 0.00 38.32 36.63 2bhq h ASN 184 CO 0.00 0.34 -1.11 0.49 0.07 0.00 0.00 177.43 177.23 2bhq n PHE 185 N -3.23 0.29 0.63 4.14 3.01 -1.26 -4.98 117.46 116.07 2bhq n PHE 185 Ca 0.02 -3.73 0.06 0.00 1.01 0.00 0.00 57.45 54.81 2bhq n PHE 185 Cb 0.64 -0.40 0.33 0.00 -0.01 0.00 0.00 39.48 40.04 2bhq n PHE 185 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2bhq n PRO 186 N 0.75 0.22 -0.03 -1.08 -0.04 -1.25 -1.60 135.00 131.97 2bhq n PRO 186 Ca 0.24 0.14 -0.07 0.00 -0.04 0.00 0.00 63.50 63.77 2bhq n PRO 186 Cb 0.58 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.52 2bhq n PRO 186 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2bhq n VAL 187 N -1.24 1.02 0.30 0.52 0.31 -1.26 -4.46 118.33 113.51 2bhq n VAL 187 Ca 0.07 0.10 -0.14 0.00 -0.01 0.00 0.00 64.34 64.36 2bhq n VAL 187 Cb 0.09 -1.78 -0.07 0.00 -0.91 0.00 0.00 33.84 31.17 2bhq n VAL 187 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bhq h ALA 188 N -0.39 -1.15 -0.17 3.52 0.00 -1.65 -0.25 119.26 119.17 2bhq h ALA 188 Ca -0.12 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 2bhq h ALA 188 Cb 0.77 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2bhq h ALA 188 CO -0.07 -1.13 -0.52 0.82 0.00 0.00 0.00 179.25 178.35 2bhq h ILE 189 N -0.86 1.33 -0.21 0.00 2.04 -1.63 -0.28 117.51 117.89 2bhq h ILE 189 Ca -0.07 -1.76 0.04 0.00 1.00 0.00 0.00 64.86 64.06 2bhq h ILE 189 Cb 0.70 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 2bhq h ILE 189 CO 0.05 0.54 -0.00 0.15 0.00 0.00 0.00 178.15 178.89 2bhq h PHE 190 N 0.38 -0.02 -0.08 1.37 3.57 -1.57 -0.73 116.94 119.86 2bhq h PHE 190 Ca 0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2bhq h PHE 190 Cb 1.04 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.81 2bhq h PHE 190 CO 0.04 -0.04 -0.00 1.15 -2.23 0.00 0.00 178.31 177.23 2bhq h THR 191 N 0.06 1.26 -0.35 4.41 2.02 -0.87 -3.03 112.91 116.41 2bhq h THR 191 Ca 0.10 -0.80 0.03 0.00 0.77 0.00 0.00 66.41 66.50 2bhq h THR 191 Cb 0.13 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 2bhq h THR 191 CO -0.17 0.22 0.18 1.23 0.37 0.00 0.00 175.52 177.35 2bhq h GLY 192 N -0.15 0.48 2.00 2.16 0.00 -0.87 0.35 103.07 107.03 2bhq h GLY 192 Ca 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 2bhq h GLY 192 CO 0.00 0.10 -0.08 -0.33 0.00 0.00 0.00 176.54 176.23 2bhq h MET 193 N 0.37 0.00 0.00 4.80 2.07 -1.18 -2.22 114.93 118.76 2bhq h MET 193 Ca 0.15 0.00 -0.13 0.00 -2.07 0.00 0.00 59.70 57.65 2bhq h MET 193 Cb 0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.77 2bhq h MET 193 CO -0.10 0.08 -0.83 0.82 1.07 0.00 0.00 176.91 177.95 2bhq h ILE 194 N 0.00 0.70 0.00 -1.22 2.04 -1.28 -3.40 117.51 114.35 2bhq h ILE 194 Ca -0.00 -1.79 -0.04 0.00 1.00 0.00 0.00 64.86 64.03 2bhq h ILE 194 Cb 0.28 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2bhq h ILE 194 CO 0.01 0.24 -0.18 -0.37 0.00 0.00 0.00 178.15 177.84 2bhq h VAL 195 N -1.00 0.51 0.77 1.67 -1.51 -0.95 -2.53 116.25 113.21 2bhq h VAL 195 Ca -0.19 -0.93 -0.04 0.00 -1.23 0.00 0.00 66.70 64.31 2bhq h VAL 195 Cb 0.96 1.64 0.01 0.00 -2.13 0.00 0.00 31.29 31.77 2bhq h VAL 195 CO -0.12 0.18 -0.37 1.23 -1.23 0.00 0.00 177.57 177.27 2bhq h GLY 196 N 1.74 -1.08 0.98 5.19 0.00 -1.61 0.23 103.07 108.53 2bhq h GLY 196 Ca -0.00 0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.74 2bhq h GLY 196 CO 0.02 -0.39 0.52 -2.55 0.00 0.00 0.00 176.54 174.14 2bhq h PRO 197 N -1.17 1.02 -0.54 4.80 0.11 -1.75 -2.84 132.00 131.63 2bhq h PRO 197 Ca -0.11 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.89 2bhq h PRO 197 Cb 0.81 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 2bhq h PRO 197 CO 0.17 0.67 0.11 0.28 -0.21 0.00 0.00 178.00 179.03 2bhq h VAL 198 N 1.05 1.23 -1.00 3.15 2.07 -1.41 -2.29 116.25 119.04 2bhq h VAL 198 Ca 0.29 -0.84 0.11 0.00 0.82 0.00 0.00 66.70 67.08 2bhq h VAL 198 Cb -0.10 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 30.28 2bhq h VAL 198 CO -0.07 0.31 0.63 0.00 0.02 0.00 0.00 177.57 178.46 2bhq h ALA 199 N 1.33 1.50 -0.49 1.67 0.00 -0.69 -1.92 119.26 120.66 2bhq h ALA 199 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2bhq h ALA 199 Cb 0.32 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2bhq h ALA 199 CO 0.00 0.26 0.00 1.33 0.00 0.00 0.00 179.25 180.84 2bhq n VAL 200 N -4.60 0.79 0.00 0.00 0.24 -1.17 -4.68 118.33 108.91 2bhq n VAL 200 Ca 0.18 -0.70 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 2bhq n VAL 200 Cb 0.33 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 2bhq n VAL 200 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bhq n GLY 201 N 1.20 0.88 3.93 7.63 0.00 -0.72 -4.19 105.19 113.91 2bhq n GLY 201 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 2bhq n GLY 201 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bhq s ASN 202 N -1.21 5.07 0.16 1.61 0.01 -0.87 -3.91 114.94 115.80 2bhq s ASN 202 Ca 0.00 0.52 0.10 0.00 -0.71 0.00 0.00 52.86 52.78 2bhq s ASN 202 Cb 0.00 -1.28 -0.04 0.00 0.41 0.00 0.00 41.25 40.33 2bhq s ASN 202 CO 0.00 -1.42 -0.23 0.42 -1.51 0.00 0.00 177.10 174.36 2bhq s THR 203 N -3.15 2.14 0.02 1.60 -4.23 -0.73 -4.16 115.64 107.13 2bhq s THR 203 Ca 0.58 -1.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.24 2bhq s THR 203 Cb -0.11 -1.96 -0.02 0.00 1.34 0.00 0.00 72.50 71.76 2bhq s THR 203 CO 0.45 -0.10 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.66 2bhq s VAL 204 N -1.53 0.56 -0.22 2.29 1.01 -0.06 -1.46 120.40 120.98 2bhq s VAL 204 Ca 0.16 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 2bhq s VAL 204 Cb -0.08 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.76 2bhq s VAL 204 CO 0.08 -0.13 -0.09 -0.63 0.00 0.00 0.00 175.10 174.33 2bhq s ILE 205 N -0.81 2.86 -0.16 2.22 1.01 -0.44 -1.03 121.20 124.86 2bhq s ILE 205 Ca -0.04 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 2bhq s ILE 205 Cb -0.07 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 2bhq s ILE 205 CO 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 174.94 175.25 2bhq s ALA 206 N 1.37 3.00 -0.34 9.38 0.00 0.11 -0.74 121.76 134.54 2bhq s ALA 206 Ca 0.03 -0.82 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 2bhq s ALA 206 Cb -0.15 -1.56 0.04 0.00 0.00 0.00 0.00 23.12 21.45 2bhq s ALA 206 CO -0.06 0.21 0.10 0.21 0.00 0.00 0.00 175.76 176.22 2bhq s LYS 207 N 0.37 2.59 0.72 0.00 2.20 0.65 -0.70 119.74 125.58 2bhq s LYS 207 Ca -0.04 -1.21 -0.11 0.00 -0.36 0.00 0.00 55.97 54.26 2bhq s LYS 207 Cb -0.14 -3.45 0.02 0.00 -1.51 0.00 0.00 37.83 32.75 2bhq s LYS 207 CO 0.03 -0.68 1.07 -1.25 -0.36 0.00 0.00 175.35 174.16 2bhq s PRO 208 N 1.39 2.73 0.40 4.03 0.04 -1.26 -2.13 135.00 140.19 2bhq s PRO 208 Ca -0.02 0.95 -0.25 0.00 0.04 0.00 0.00 61.00 61.72 2bhq s PRO 208 Cb -0.20 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 2bhq s PRO 208 CO 0.02 -1.24 1.16 0.00 0.04 0.00 0.00 177.00 176.98 2bhq s ALA 209 N -3.04 3.15 0.32 8.56 0.00 -1.21 -4.67 121.76 124.87 2bhq s ALA 209 Ca 0.59 0.95 0.07 0.00 0.00 0.00 0.00 51.96 53.58 2bhq s ALA 209 Cb -0.15 -3.38 0.78 0.00 0.00 0.00 0.00 23.12 20.38 2bhq s ALA 209 CO 0.55 -0.51 1.79 0.93 0.00 0.00 0.00 175.76 178.51 2bhq h GLU 210 N 2.63 0.70 0.00 0.00 5.08 -1.91 -1.24 114.58 119.84 2bhq h GLU 210 Ca -0.49 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2bhq h GLU 210 Cb 1.23 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2bhq h GLU 210 CO 0.62 0.46 0.00 -0.25 -1.00 0.00 0.00 179.01 178.85 2bhq n ASP 211 N -4.73 0.00 -2.18 1.42 8.00 -1.26 -3.75 116.55 114.05 2bhq n ASP 211 Ca 0.23 -0.16 -0.02 0.00 0.71 0.00 0.00 54.79 55.55 2bhq n ASP 211 Cb 0.59 -0.25 0.05 0.00 -0.02 0.00 0.00 41.12 41.49 2bhq n ASP 211 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bhq n ALA 212 N -1.25 2.93 0.12 2.24 0.00 -0.48 -4.67 120.51 119.40 2bhq n ALA 212 Ca 0.13 -2.82 -0.01 0.00 0.00 0.00 0.00 53.44 50.74 2bhq n ALA 212 Cb 0.18 -0.72 0.25 0.00 0.00 0.00 0.00 19.45 19.15 2bhq n ALA 212 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2bhq h VAL 213 N 5.19 1.31 -0.09 0.00 -1.51 -1.63 -2.90 116.25 116.63 2bhq h VAL 213 Ca -0.09 -1.51 -0.03 0.00 -1.23 0.00 0.00 66.70 63.84 2bhq h VAL 213 Cb 1.46 1.72 -0.00 0.00 -2.13 0.00 0.00 31.29 32.34 2bhq h VAL 213 CO 0.22 0.45 -0.05 0.58 -1.23 0.00 0.00 177.57 177.54 2bhq h VAL 214 N 0.15 1.32 0.00 7.19 2.07 -1.91 -1.71 116.25 123.36 2bhq h VAL 214 Ca 0.01 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.41 2bhq h VAL 214 Cb 0.80 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 2bhq h VAL 214 CO 0.06 0.30 -0.29 1.62 0.02 0.00 0.00 177.57 179.28 2bhq h VAL 215 N -0.17 1.06 -0.49 2.57 3.04 -1.92 -1.65 116.25 118.69 2bhq h VAL 215 Ca 0.02 -1.04 -0.10 0.00 -1.01 0.00 0.00 66.70 64.57 2bhq h VAL 215 Cb 0.50 1.58 -0.02 0.00 -2.01 0.00 0.00 31.29 31.34 2bhq h VAL 215 CO 0.01 0.28 -0.10 1.23 -1.01 0.00 0.00 177.57 177.98 2bhq h GLY 216 N 1.06 0.97 1.32 3.17 0.00 -1.36 -1.78 103.07 106.45 2bhq h GLY 216 Ca -0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 47.33 46.50 2bhq h GLY 216 CO 0.04 0.69 -0.02 0.00 0.00 0.00 0.00 176.54 177.25 2bhq h ALA 217 N 1.07 1.06 -0.24 3.60 0.00 -0.44 -1.99 119.26 122.33 2bhq h ALA 217 Ca 0.13 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2bhq h ALA 217 Cb 0.62 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2bhq h ALA 217 CO 0.04 0.59 -0.21 0.87 0.00 0.00 0.00 179.25 180.53 2bhq h LYS 218 N 0.76 0.43 -0.57 0.00 1.57 -0.94 -0.78 116.57 117.04 2bhq h LYS 218 Ca 0.14 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2bhq h LYS 218 Cb 0.48 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 2bhq h LYS 218 CO 0.02 0.63 -0.00 0.28 -0.57 0.00 0.00 179.45 179.81 2bhq h VAL 219 N 0.39 1.26 0.00 0.50 2.07 -0.90 -2.24 116.25 117.33 2bhq h VAL 219 Ca 0.06 -1.12 -0.06 0.00 0.82 0.00 0.00 66.70 66.41 2bhq h VAL 219 Cb 0.60 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2bhq h VAL 219 CO 0.04 0.40 -0.27 -0.26 0.02 0.00 0.00 177.57 177.51 2bhq h PHE 220 N 0.91 0.00 -0.63 1.57 -1.00 -0.63 -1.30 116.94 115.86 2bhq h PHE 220 Ca 0.16 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.90 2bhq h PHE 220 Cb 0.53 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.07 2bhq h PHE 220 CO 0.03 0.27 0.21 0.93 -1.61 0.00 0.00 178.31 178.14 2bhq h GLU 221 N 0.00 0.95 -0.34 1.51 5.08 -0.57 0.30 114.58 121.51 2bhq h GLU 221 Ca -0.00 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 2bhq h GLU 221 Cb 0.63 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2bhq h GLU 221 CO 0.03 0.81 -0.06 0.82 -1.00 0.00 0.00 179.01 179.61 2bhq h ILE 222 N 0.93 1.27 -0.71 3.13 2.04 -0.97 -1.26 117.51 121.93 2bhq h ILE 222 Ca 0.21 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 64.99 2bhq h ILE 222 Cb 0.24 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 2bhq h ILE 222 CO -0.01 0.36 0.47 -0.26 0.00 0.00 0.00 178.15 178.71 2bhq h PHE 223 N 0.42 0.90 -0.20 1.37 0.04 -0.82 -0.25 116.94 118.41 2bhq h PHE 223 Ca 0.09 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 2bhq h PHE 223 Cb 0.54 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 2bhq h PHE 223 CO 0.05 0.57 0.10 1.25 -0.60 0.00 0.00 178.31 179.67 2bhq h HIS 224 N 0.97 0.29 -0.39 -0.55 2.76 -0.82 -2.59 115.15 114.82 2bhq h HIS 224 Ca 0.26 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.37 2bhq h HIS 224 Cb -0.11 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 28.74 2bhq h HIS 224 CO -0.02 0.30 0.02 1.49 -1.30 0.00 0.00 177.93 178.41 2bhq h GLU 225 N 0.19 0.60 -0.04 5.26 4.81 -0.92 -2.23 114.58 122.25 2bhq h GLU 225 Ca 0.07 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 2bhq h GLU 225 Cb 0.12 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2bhq h GLU 225 CO -0.01 0.61 -0.16 0.00 -0.73 0.00 0.00 179.01 178.72 2bhq h ALA 226 N 1.45 1.66 0.00 2.92 0.00 -0.80 -3.47 119.26 121.02 2bhq h ALA 226 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2bhq h ALA 226 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2bhq h ALA 226 CO 0.01 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.93 2bhq n GLY 227 N -0.99 1.53 3.74 0.00 0.00 -0.84 -4.90 105.19 103.73 2bhq n GLY 227 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2bhq n GLY 227 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bhq s PHE 228 N -2.00 2.80 0.66 1.61 0.08 -1.19 -4.91 117.98 115.03 2bhq s PHE 228 Ca 0.00 0.61 -0.17 0.00 0.12 0.00 0.00 56.93 57.49 2bhq s PHE 228 Cb 0.00 -4.10 -0.02 0.00 -0.57 0.00 0.00 43.02 38.32 2bhq s PHE 228 CO 0.00 -3.89 0.99 -2.30 -0.10 0.00 0.00 175.22 169.92 2bhq n PRO 229 N 2.86 0.75 -1.64 0.24 -0.02 -1.26 -4.86 135.00 131.08 2bhq n PRO 229 Ca 0.11 0.31 -0.47 0.00 -2.02 0.00 0.00 63.50 61.43 2bhq n PRO 229 Cb 0.36 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 2bhq n PRO 229 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2bhq n PRO 230 N -1.44 1.73 0.00 0.52 -0.02 -1.26 -2.03 135.00 132.50 2bhq n PRO 230 Ca 0.14 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2bhq n PRO 230 Cb 0.48 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2bhq n PRO 230 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bhq n GLY 231 N 2.44 2.80 0.27 -1.23 0.00 -1.26 -4.56 105.19 103.65 2bhq n GLY 231 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 2bhq n GLY 231 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2bhq h VAL 232 N 0.00 1.25 -3.75 1.61 2.07 -1.69 -3.32 116.25 112.42 2bhq h VAL 232 Ca 0.00 -0.89 -0.46 0.00 0.82 0.00 0.00 66.70 66.17 2bhq h VAL 232 Cb 0.00 0.71 -0.31 0.00 -1.52 0.00 0.00 31.29 30.17 2bhq h VAL 232 CO 0.00 0.33 -0.80 0.68 0.02 0.00 0.00 177.57 177.81 2bhq s VAL 233 N -5.31 0.91 0.01 2.57 -7.23 -1.26 -0.88 120.40 109.20 2bhq s VAL 233 Ca -0.13 -0.41 0.04 0.00 -1.81 0.00 0.00 61.98 59.67 2bhq s VAL 233 Cb 0.13 -0.81 -0.01 0.00 0.56 0.00 0.00 36.38 36.24 2bhq s VAL 233 CO 0.82 0.28 -0.11 0.20 -0.31 0.00 0.00 175.10 175.98 2bhq s ASN 234 N 0.28 1.31 -0.26 4.85 0.01 -0.20 -4.71 114.94 116.22 2bhq s ASN 234 Ca -0.05 -0.30 -0.02 0.00 -0.71 0.00 0.00 52.86 51.77 2bhq s ASN 234 Cb -0.10 -0.11 0.03 0.00 0.41 0.00 0.00 41.25 41.47 2bhq s ASN 234 CO 0.01 0.07 -0.03 0.12 -1.51 0.00 0.00 177.10 175.76 2bhq s PHE 235 N -0.52 3.10 -0.59 2.20 5.99 0.55 0.08 117.98 128.79 2bhq s PHE 235 Ca 0.02 -1.50 0.06 0.00 0.00 0.00 0.00 56.93 55.50 2bhq s PHE 235 Cb -0.06 -2.09 0.22 0.00 0.00 0.00 0.00 43.02 41.09 2bhq s PHE 235 CO 0.00 -0.71 0.60 1.28 -0.00 0.00 0.00 175.22 176.39 2bhq n LEU 236 N 4.69 2.52 -4.75 6.12 4.77 0.12 -1.88 117.00 128.59 2bhq n LEU 236 Ca -0.16 -5.15 -0.37 0.00 -0.03 0.00 0.00 56.01 50.31 2bhq n LEU 236 Cb 0.47 -0.34 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2bhq n LEU 236 CO 0.27 1.96 0.89 -2.16 -1.33 0.00 0.00 177.39 177.03 2bhq s PRO 237 N -1.74 3.18 0.23 3.23 0.04 -1.26 -4.45 135.00 134.22 2bhq s PRO 237 Ca 0.34 1.97 -0.22 0.00 0.04 0.00 0.00 61.00 63.13 2bhq s PRO 237 Cb 0.09 -2.14 0.04 0.00 0.04 0.00 0.00 34.50 32.53 2bhq s PRO 237 CO -0.09 -1.07 0.71 0.20 0.04 0.00 0.00 177.00 176.79 2bhq s GLY 238 N -1.31 -0.26 -0.12 0.56 0.00 -1.26 -0.93 107.32 104.00 2bhq s GLY 238 Ca 0.73 -0.01 -0.01 0.00 0.00 0.00 0.00 44.72 45.42 2bhq s GLY 238 CO 0.39 0.00 -0.06 0.14 0.00 0.00 0.00 173.10 173.57 2bhq s VAL 239 N -3.79 3.74 0.00 1.40 1.01 -1.26 -4.65 120.40 116.85 2bhq s VAL 239 Ca 0.08 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.63 2bhq s VAL 239 Cb -0.04 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.75 2bhq s VAL 239 CO 0.01 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2bhq n GLY 240 N 2.96 -1.72 0.02 4.51 0.00 -1.26 -4.31 105.19 105.39 2bhq n GLY 240 Ca -0.18 -1.34 0.13 0.00 0.00 0.00 0.00 46.02 44.63 2bhq n GLY 240 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bhq n GLU 241 N -0.15 0.09 -0.07 1.61 1.02 -1.26 -4.58 120.64 117.31 2bhq n GLU 241 Ca 0.00 -0.04 -0.03 0.00 -0.02 0.00 0.00 57.16 57.08 2bhq n GLU 241 Cb 0.00 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 29.90 2bhq n GLU 241 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2bhq h GLU 242 N 0.09 -0.04 0.00 3.49 4.81 -1.98 0.18 114.58 121.13 2bhq h GLU 242 Ca 0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2bhq h GLU 242 Cb 0.49 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2bhq h GLU 242 CO 0.00 -0.03 -0.07 0.28 -0.73 0.00 0.00 179.01 178.46 2bhq h VAL 243 N -0.04 0.81 -0.39 0.32 2.07 -1.86 -1.51 116.25 115.65 2bhq h VAL 243 Ca 0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.56 2bhq h VAL 243 Cb 0.11 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 2bhq h VAL 243 CO -0.18 0.00 0.23 1.23 0.02 0.00 0.00 177.57 178.87 2bhq h GLY 244 N -0.13 0.55 0.94 2.17 0.00 -1.80 -2.03 103.07 102.77 2bhq h GLY 244 Ca 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 2bhq h GLY 244 CO -0.08 0.15 0.16 0.00 0.00 0.00 0.00 176.54 176.78 2bhq h ALA 245 N 1.17 0.44 -0.59 3.60 0.00 -0.56 0.02 119.26 123.35 2bhq h ALA 245 Ca 0.15 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2bhq h ALA 245 Cb 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 2bhq h ALA 245 CO -0.07 0.01 0.30 -0.92 0.00 0.00 0.00 179.25 178.57 2bhq h TYR 246 N 0.41 0.55 -0.04 0.00 3.20 -1.07 -1.84 116.97 118.19 2bhq h TYR 246 Ca 0.12 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.87 2bhq h TYR 246 Cb 0.13 -0.16 0.01 0.00 1.54 0.00 0.00 36.73 38.25 2bhq h TYR 246 CO -0.01 0.25 -0.53 -0.07 -1.64 0.00 0.00 178.16 176.16 2bhq h LEU 247 N 0.56 0.53 -1.05 2.82 3.38 -1.22 -2.46 115.31 117.86 2bhq h LEU 247 Ca 0.27 -0.72 0.06 0.00 0.09 0.00 0.00 57.88 57.58 2bhq h LEU 247 Cb 0.19 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 2bhq h LEU 247 CO -0.19 1.17 0.63 0.58 0.09 0.00 0.00 178.44 180.72 2bhq h VAL 248 N -0.06 1.10 -0.02 1.22 2.07 -0.86 -2.24 116.25 117.46 2bhq h VAL 248 Ca -0.06 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2bhq h VAL 248 Cb 1.22 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2bhq h VAL 248 CO 0.11 0.21 -0.07 -0.62 0.02 0.00 0.00 177.57 177.21 2bhq n GLU 249 N -4.48 1.55 -2.09 1.57 1.02 -0.70 -4.69 120.64 112.81 2bhq n GLU 249 Ca 0.15 -0.97 -0.41 0.00 -0.02 0.00 0.00 57.16 55.90 2bhq n GLU 249 Cb 0.17 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.09 2bhq n GLU 249 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2bhq s HIS 250 N -2.12 3.09 0.34 -0.32 2.46 -0.84 -4.75 115.29 113.14 2bhq s HIS 250 Ca 0.33 1.16 0.36 0.00 0.47 0.00 0.00 55.06 57.38 2bhq s HIS 250 Cb 0.20 -3.73 1.73 0.00 -0.13 0.00 0.00 32.58 30.65 2bhq s HIS 250 CO 0.38 -2.29 2.13 -1.00 -2.47 0.00 0.00 174.74 171.48 2bhq h PRO 251 N 4.79 0.00 -0.66 2.88 0.13 -1.89 -2.92 132.00 134.32 2bhq h PRO 251 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2bhq h PRO 251 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2bhq h PRO 251 CO 0.75 0.02 0.00 0.54 -0.23 0.00 0.00 178.00 179.08 2bhq n ARG 252 N -3.17 3.01 -3.28 0.86 1.74 -1.26 -4.47 116.66 110.10 2bhq n ARG 252 Ca -0.01 -2.66 -0.39 0.00 -0.77 0.00 0.00 57.85 54.02 2bhq n ARG 252 Cb 0.22 -1.62 -0.07 0.00 -1.02 0.00 0.00 32.46 29.97 2bhq n ARG 252 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2bhq s ILE 253 N -1.25 5.13 0.02 0.55 -1.09 -1.11 -4.85 121.20 118.60 2bhq s ILE 253 Ca 0.47 0.88 -0.06 0.00 -2.23 0.00 0.00 60.65 59.71 2bhq s ILE 253 Cb 0.26 -3.81 -0.29 0.00 -1.58 0.00 0.00 42.46 37.04 2bhq s ILE 253 CO 0.29 0.19 0.93 -0.09 -1.23 0.00 0.00 174.94 175.03 2bhq h ARG 254 N 7.50 0.31 -3.58 2.79 9.65 -1.45 -3.47 114.38 126.12 2bhq h ARG 254 Ca -0.34 -0.52 -0.07 0.00 -1.10 0.00 0.00 59.98 57.95 2bhq h ARG 254 Cb 1.16 0.19 -0.13 0.00 -1.39 0.00 0.00 29.97 29.80 2bhq h ARG 254 CO 0.73 1.20 -0.20 -0.59 2.80 0.00 0.00 179.97 183.92 2bhq s PHE 255 N -2.62 -0.01 -0.06 2.20 -0.71 -1.26 -3.07 117.98 112.45 2bhq s PHE 255 Ca -0.08 -0.36 0.01 0.00 -1.04 0.00 0.00 56.93 55.46 2bhq s PHE 255 Cb 0.06 0.12 0.02 0.00 -1.21 0.00 0.00 43.02 42.02 2bhq s PHE 255 CO 0.87 -0.66 -0.08 0.42 -1.34 0.00 0.00 175.22 174.43 2bhq s ILE 256 N -3.85 0.86 -0.23 -4.49 1.01 -0.02 -1.45 121.20 113.03 2bhq s ILE 256 Ca 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.41 2bhq s ILE 256 Cb 0.03 -0.83 0.03 0.00 0.01 0.00 0.00 42.46 41.69 2bhq s ILE 256 CO -0.10 0.30 -0.10 0.21 0.00 0.00 0.00 174.94 175.26 2bhq s ASN 257 N 0.97 4.06 -0.00 3.58 2.47 -0.13 -0.70 114.94 125.19 2bhq s ASN 257 Ca -0.10 -0.84 0.04 0.00 0.42 0.00 0.00 52.86 52.38 2bhq s ASN 257 Cb -0.15 -1.62 -0.01 0.00 -1.45 0.00 0.00 41.25 38.03 2bhq s ASN 257 CO 0.00 -0.10 -0.11 0.12 -3.72 0.00 0.00 177.10 173.29 2bhq s PHE 258 N 1.31 1.01 -0.05 0.43 5.36 0.35 -0.95 117.98 125.44 2bhq s PHE 258 Ca 0.01 -0.21 -0.02 0.00 -0.96 0.00 0.00 56.93 55.75 2bhq s PHE 258 Cb -0.16 -0.65 0.03 0.00 -0.34 0.00 0.00 43.02 41.90 2bhq s PHE 258 CO -0.06 -0.01 0.03 0.99 -1.46 0.00 0.00 175.22 174.71 2bhq s THR 259 N -0.35 0.09 -1.63 0.12 2.01 -1.02 -1.24 115.64 113.62 2bhq s THR 259 Ca 0.04 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.32 2bhq s THR 259 Cb -0.05 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.16 2bhq s THR 259 CO -0.00 0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.74 2bhq n GLY 260 N 5.13 -0.68 3.77 4.40 0.00 -0.50 -3.45 105.19 113.85 2bhq n GLY 260 Ca -0.07 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 2bhq n GLY 260 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bhq s SER 261 N -4.00 5.16 0.21 1.61 1.04 -1.26 -3.87 113.70 112.60 2bhq s SER 261 Ca 0.00 2.06 -0.08 0.00 0.48 0.00 0.00 55.95 58.41 2bhq s SER 261 Cb 0.00 -2.56 0.15 0.00 0.10 0.00 0.00 66.02 63.71 2bhq s SER 261 CO 0.00 -1.59 1.74 0.25 0.98 0.00 0.00 173.24 174.62 2bhq h LEU 262 N 0.24 1.07 -0.42 2.42 5.85 -1.91 -0.83 115.31 121.72 2bhq h LEU 262 Ca -0.47 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.11 2bhq h LEU 262 Cb 1.25 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.94 2bhq h LEU 262 CO 0.54 1.00 0.04 -0.08 -0.34 0.00 0.00 178.44 179.61 2bhq h GLU 263 N 1.09 0.15 -0.19 1.25 4.81 -1.92 0.86 114.58 120.63 2bhq h GLU 263 Ca 0.23 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.26 2bhq h GLU 263 Cb 0.33 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.68 2bhq h GLU 263 CO -0.00 0.10 -0.66 0.28 -0.73 0.00 0.00 179.01 178.00 2bhq h VAL 264 N 0.16 1.29 -0.88 0.32 2.07 -1.91 -3.13 116.25 114.16 2bhq h VAL 264 Ca 0.20 -1.86 0.03 0.00 0.82 0.00 0.00 66.70 65.90 2bhq h VAL 264 Cb 0.28 1.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 2bhq h VAL 264 CO -0.31 0.59 0.58 1.23 0.02 0.00 0.00 177.57 179.69 2bhq h GLY 265 N 0.52 1.26 1.01 2.17 0.00 -0.61 -0.84 103.07 106.59 2bhq h GLY 265 Ca -0.03 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 2bhq h GLY 265 CO 0.14 0.38 0.18 1.41 0.00 0.00 0.00 176.54 178.65 2bhq h LEU 266 N 1.10 0.89 -0.68 3.11 3.38 -0.85 -1.08 115.31 121.18 2bhq h LEU 266 Ca 0.35 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 2bhq h LEU 266 Cb 0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2bhq h LEU 266 CO -0.10 0.86 -0.05 0.11 0.09 0.00 0.00 178.44 179.35 2bhq h LYS 267 N 0.86 0.97 -0.30 1.13 1.57 -1.33 -1.86 116.57 117.61 2bhq h LYS 267 Ca 0.19 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 2bhq h LYS 267 Cb 0.30 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2bhq h LYS 267 CO -0.00 0.99 0.06 0.82 -0.57 0.00 0.00 179.45 180.74 2bhq h ILE 268 N 0.88 1.23 -0.76 1.86 2.04 -0.96 -0.88 117.51 120.92 2bhq h ILE 268 Ca 0.15 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 2bhq h ILE 268 Cb 0.59 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 2bhq h ILE 268 CO 0.04 0.26 0.32 0.22 0.00 0.00 0.00 178.15 178.98 2bhq h TYR 269 N 0.33 1.13 -0.21 1.37 5.03 -1.10 0.33 116.97 123.86 2bhq h TYR 269 Ca 0.09 -0.07 -0.04 0.00 2.58 0.00 0.00 58.73 61.29 2bhq h TYR 269 Cb 0.33 -0.34 -0.01 0.00 1.55 0.00 0.00 36.73 38.26 2bhq h TYR 269 CO 0.02 0.85 -0.03 1.49 -1.32 0.00 0.00 178.16 179.17 2bhq h GLU 270 N 1.10 0.39 -0.77 1.82 4.81 -1.19 -2.77 114.58 117.97 2bhq h GLU 270 Ca 0.26 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2bhq h GLU 270 Cb 0.19 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 2bhq h GLU 270 CO -0.02 0.61 0.38 0.00 -0.73 0.00 0.00 179.01 179.25 2bhq h ALA 271 N 0.76 1.22 0.00 2.92 0.00 -0.88 -2.25 119.26 121.04 2bhq h ALA 271 Ca 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2bhq h ALA 271 Cb 0.45 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2bhq h ALA 271 CO 0.02 0.60 -0.11 0.00 0.00 0.00 0.00 179.25 179.75 2bhq h ALA 272 N 1.33 1.31 0.00 0.00 0.00 -0.83 -2.11 119.26 118.96 2bhq h ALA 272 Ca 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2bhq h ALA 272 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2bhq h ALA 272 CO -0.04 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.76 2bhq n GLY 273 N -0.73 -1.39 3.88 0.00 0.00 -0.85 -4.19 105.19 101.92 2bhq n GLY 273 Ca -0.02 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 2bhq n GLY 273 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bhq s ARG 274 N -2.80 3.66 -0.51 1.61 0.52 -0.80 -5.03 118.95 115.61 2bhq s ARG 274 Ca 0.21 0.01 -0.19 0.00 -0.52 0.00 0.00 55.73 55.24 2bhq s ARG 274 Cb 0.19 -2.93 0.06 0.00 0.52 0.00 0.00 34.95 32.79 2bhq s ARG 274 CO 0.49 0.53 0.63 -1.17 0.02 0.00 0.00 175.30 175.80 2bhq s LEU 275 N -2.25 4.97 0.69 2.53 2.96 -1.26 -4.90 118.68 121.42 2bhq s LEU 275 Ca 0.36 -0.92 -0.15 0.00 -0.22 0.00 0.00 54.13 53.20 2bhq s LEU 275 Cb -0.13 -2.45 0.02 0.00 0.50 0.00 0.00 46.19 44.13 2bhq s LEU 275 CO 0.21 -0.91 1.14 0.00 -1.32 0.00 0.00 176.35 175.47 2bhq s ALA 276 N 2.66 2.32 -0.01 5.97 0.00 -1.26 -4.88 121.76 126.56 2bhq s ALA 276 Ca 0.15 0.64 -0.35 0.00 0.00 0.00 0.00 51.96 52.40 2bhq s ALA 276 Cb -0.19 -3.37 -0.13 0.00 0.00 0.00 0.00 23.12 19.43 2bhq s ALA 276 CO 0.12 -1.53 1.75 -2.30 0.00 0.00 0.00 175.76 173.80 2bhq n PRO 277 N -2.62 2.05 -0.32 0.00 -0.02 -1.26 -1.04 135.00 131.78 2bhq n PRO 277 Ca 0.11 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2bhq n PRO 277 Cb 0.51 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2bhq n PRO 277 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bhq n GLY 278 N 3.97 1.42 3.76 -1.23 0.00 -1.26 -4.75 105.19 107.10 2bhq n GLY 278 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2bhq n GLY 278 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2bhq s GLN 279 N -0.34 4.27 -0.23 1.61 0.74 -0.21 -4.95 119.66 120.56 2bhq s GLN 279 Ca 0.00 2.31 0.10 0.00 0.05 0.00 0.00 55.36 57.83 2bhq s GLN 279 Cb 0.00 -3.08 0.43 0.00 1.10 0.00 0.00 33.01 31.46 2bhq s GLN 279 CO 0.00 -0.37 1.24 0.25 -0.55 0.00 0.00 175.29 175.86 2bhq n THR 280 N 1.64 2.28 -3.71 -0.34 -2.24 -1.26 -4.91 114.28 105.74 2bhq n THR 280 Ca 0.04 -3.32 -0.06 0.00 -2.27 0.00 0.00 64.05 58.44 2bhq n THR 280 Cb 0.41 -0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 68.27 2bhq n THR 280 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 2bhq s TRP 281 N -3.28 -0.23 -0.34 4.78 -2.14 -1.26 -5.12 118.94 111.35 2bhq s TRP 281 Ca 0.40 -0.08 -0.17 0.00 2.66 0.00 0.00 56.10 58.91 2bhq s TRP 281 Cb 0.38 0.64 -0.01 0.00 -3.10 0.00 0.00 33.47 31.37 2bhq s TRP 281 CO -0.05 -0.91 0.44 -0.06 -2.66 0.00 0.00 176.95 173.70 2bhq s PHE 282 N -3.51 3.20 0.49 1.66 0.40 -1.26 -4.98 117.98 113.98 2bhq s PHE 282 Ca 0.09 0.12 -0.23 0.00 -0.60 0.00 0.00 56.93 56.32 2bhq s PHE 282 Cb -0.03 -2.79 -0.06 0.00 0.51 0.00 0.00 43.02 40.65 2bhq s PHE 282 CO 0.00 -0.47 1.27 0.15 0.70 0.00 0.00 175.22 176.88 2bhq s LYS 283 N 2.22 3.51 -0.14 0.44 1.02 -1.26 -5.02 119.74 120.50 2bhq s LYS 283 Ca 0.16 2.04 -0.05 0.00 0.02 0.00 0.00 55.97 58.14 2bhq s LYS 283 Cb -0.16 -2.39 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 2bhq s LYS 283 CO 0.12 -0.83 0.03 1.03 -0.92 0.00 0.00 175.35 174.78 2bhq s ARG 284 N -2.73 3.56 -0.08 1.68 0.52 -1.17 -4.86 118.95 115.87 2bhq s ARG 284 Ca 0.66 -0.38 0.00 0.00 -0.52 0.00 0.00 55.73 55.49 2bhq s ARG 284 Cb -0.35 -3.02 0.02 0.00 0.52 0.00 0.00 34.95 32.12 2bhq s ARG 284 CO 0.43 0.44 -0.06 0.00 0.02 0.00 0.00 175.30 176.13 2bhq s ALA 285 N -0.14 1.06 -0.17 2.13 0.00 -1.26 -0.84 121.76 122.54 2bhq s ALA 285 Ca 0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.65 2bhq s ALA 285 Cb -0.12 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 2bhq s ALA 285 CO 0.02 -0.25 -0.09 0.71 0.00 0.00 0.00 175.76 176.15 2bhq s TYR 286 N 1.41 2.90 -0.02 0.00 1.51 0.13 -4.98 117.35 118.30 2bhq s TYR 286 Ca -0.02 -0.78 0.02 0.00 -1.01 0.00 0.00 57.07 55.28 2bhq s TYR 286 Cb -0.13 -1.97 0.00 0.00 -0.11 0.00 0.00 41.96 39.74 2bhq s TYR 286 CO -0.04 -0.37 -0.07 0.14 -1.11 0.00 0.00 175.55 174.10 2bhq s VAL 287 N 0.88 0.62 -0.21 0.71 -7.23 -1.26 -0.49 120.40 113.41 2bhq s VAL 287 Ca -0.02 -0.29 0.00 0.00 -1.81 0.00 0.00 61.98 59.86 2bhq s VAL 287 Cb -0.15 -0.55 0.03 0.00 0.56 0.00 0.00 36.38 36.27 2bhq s VAL 287 CO 0.00 0.19 -0.13 -0.70 -0.31 0.00 0.00 175.10 174.15 2bhq s GLU 288 N 0.12 2.86 -0.23 4.82 -6.30 -0.38 -1.17 118.70 118.42 2bhq s GLU 288 Ca -0.01 -0.94 0.10 0.00 -2.50 0.00 0.00 54.97 51.62 2bhq s GLU 288 Cb -0.06 -2.77 0.44 0.00 0.00 0.00 0.00 34.13 31.73 2bhq s GLU 288 CO -0.00 -0.32 1.26 0.25 0.02 0.00 0.00 175.26 176.47 2bhq n THR 289 N 4.62 2.29 -1.74 -1.70 -2.24 -0.50 -1.41 114.28 113.59 2bhq n THR 289 Ca -0.18 -3.23 0.00 0.00 -2.27 0.00 0.00 64.05 58.37 2bhq n THR 289 Cb 0.48 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 2bhq n THR 289 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bhq n GLY 290 N -1.10 -2.30 3.86 3.38 0.00 -1.25 -3.48 105.19 104.29 2bhq n GLY 290 Ca 0.23 -1.68 -0.03 0.00 0.00 0.00 0.00 46.02 44.53 2bhq n GLY 290 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bhq s GLY 291 N -0.86 0.07 -0.49 -0.02 0.00 -1.24 -4.21 107.32 100.58 2bhq s GLY 291 Ca 0.00 -0.28 0.06 0.00 0.00 0.00 0.00 44.72 44.50 2bhq s GLY 291 CO 0.00 1.99 0.49 1.17 0.00 0.00 0.00 173.10 176.75 2bhq n LYS 292 N -0.66 1.00 -2.59 2.90 3.00 -1.26 -4.63 118.16 115.93 2bhq n LYS 292 Ca -0.04 -3.65 -0.41 0.00 -0.00 0.00 0.00 58.31 54.21 2bhq n LYS 292 Cb 0.60 -1.72 -0.04 0.00 0.00 0.00 0.00 35.03 33.87 2bhq n LYS 292 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2bhq s ASP 293 N -1.00 7.32 0.14 3.14 1.01 -1.26 -4.86 116.67 121.17 2bhq s ASP 293 Ca 0.33 1.93 0.09 0.00 0.71 0.00 0.00 52.55 55.62 2bhq s ASP 293 Cb 0.08 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 2bhq s ASP 293 CO -0.14 -0.22 -0.17 0.00 0.21 0.00 0.00 175.17 174.85 2bhq s ALA 294 N 0.22 2.70 -0.13 5.23 0.00 -1.26 -0.95 121.76 127.58 2bhq s ALA 294 Ca 0.51 -1.42 0.02 0.00 0.00 0.00 0.00 51.96 51.07 2bhq s ALA 294 Cb -0.26 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.25 2bhq s ALA 294 CO 0.31 0.54 -0.21 0.42 0.00 0.00 0.00 175.76 176.83 2bhq s ILE 295 N -1.32 2.21 -0.13 0.00 1.01 -0.52 -1.23 121.20 121.22 2bhq s ILE 295 Ca 0.20 -0.94 -0.07 0.00 0.00 0.00 0.00 60.65 59.84 2bhq s ILE 295 Cb -0.10 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 2bhq s ILE 295 CO 0.11 0.54 0.13 -0.63 0.00 0.00 0.00 174.94 175.09 2bhq s ILE 296 N 0.69 5.39 -0.06 2.92 1.01 0.29 -0.70 121.20 130.73 2bhq s ILE 296 Ca -0.10 0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.73 2bhq s ILE 296 Cb -0.16 -3.35 0.02 0.00 0.01 0.00 0.00 42.46 38.98 2bhq s ILE 296 CO 0.01 0.60 -0.06 -0.69 0.00 0.00 0.00 174.94 174.80 2bhq s VAL 297 N -0.87 0.74 0.51 2.92 1.01 -0.41 -0.72 120.40 123.57 2bhq s VAL 297 Ca 0.14 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.98 2bhq s VAL 297 Cb -0.12 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.54 2bhq s VAL 297 CO 0.03 0.28 0.47 1.51 0.00 0.00 0.00 175.10 177.40 2bhq s ASP 298 N 1.08 4.84 0.00 3.32 1.47 -1.05 -2.45 116.67 123.88 2bhq s ASP 298 Ca -0.08 -1.02 0.11 0.00 1.18 0.00 0.00 52.55 52.73 2bhq s ASP 298 Cb -0.14 0.10 0.49 0.00 -0.34 0.00 0.00 42.92 43.03 2bhq s ASP 298 CO -0.01 -1.02 1.29 -1.84 0.68 0.00 0.00 175.17 174.27 2bhq n GLU 299 N -1.79 0.07 0.00 2.11 0.28 -1.26 -2.49 120.64 117.55 2bhq n GLU 299 Ca 0.03 0.26 0.12 0.00 -0.16 0.00 0.00 57.16 57.41 2bhq n GLU 299 Cb 0.63 -1.50 0.15 0.00 1.43 0.00 0.00 31.44 32.15 2bhq n GLU 299 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2bhq n THR 300 N -1.40 0.00 -1.28 3.84 -2.24 -1.26 -4.92 114.28 107.02 2bhq n THR 300 Ca 0.04 -0.08 -0.30 0.00 -2.27 0.00 0.00 64.05 61.44 2bhq n THR 300 Cb 0.10 0.64 0.11 0.00 -2.10 0.00 0.00 70.33 69.09 2bhq n THR 300 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bhq s ALA 301 N -2.79 1.91 -0.66 6.98 0.00 -1.04 -3.80 121.76 122.37 2bhq s ALA 301 Ca 0.15 0.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.90 2bhq s ALA 301 Cb 0.18 -3.21 0.05 0.00 0.00 0.00 0.00 23.12 20.14 2bhq s ALA 301 CO 0.68 -2.04 1.08 0.34 0.00 0.00 0.00 175.76 175.82 2bhq s ASP 302 N -3.48 6.22 0.37 0.00 3.68 -1.26 -4.90 116.67 117.30 2bhq s ASP 302 Ca 0.62 -0.62 0.05 0.00 2.13 0.00 0.00 52.55 54.73 2bhq s ASP 302 Cb -0.17 -2.48 0.75 0.00 -1.45 0.00 0.00 42.92 39.57 2bhq s ASP 302 CO 0.56 -1.54 2.00 -0.26 0.13 0.00 0.00 175.17 176.07 2bhq h PHE 303 N 9.67 0.70 -0.30 -5.34 0.05 -1.94 -0.18 116.94 119.60 2bhq h PHE 303 Ca -0.28 0.02 -0.15 0.00 3.82 0.00 0.00 57.97 61.38 2bhq h PHE 303 Cb 1.06 -0.23 -0.00 0.00 2.00 0.00 0.00 35.95 38.78 2bhq h PHE 303 CO 1.02 0.41 -0.39 -0.44 -0.18 0.00 0.00 178.31 178.72 2bhq h ASP 304 N 0.73 0.86 -0.50 2.17 3.32 -1.95 -0.73 116.42 120.31 2bhq h ASP 304 Ca 0.24 -0.50 -0.03 0.00 0.02 0.00 0.00 57.03 56.77 2bhq h ASP 304 Cb 0.08 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2bhq h ASP 304 CO -0.07 1.19 0.19 0.25 -1.72 0.00 0.00 179.24 179.08 2bhq h LEU 305 N 0.55 0.69 -0.24 1.55 5.85 -1.87 -2.31 115.31 119.53 2bhq h LEU 305 Ca 0.03 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 2bhq h LEU 305 Cb 0.98 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 2bhq h LEU 305 CO 0.09 0.68 0.14 0.00 -0.34 0.00 0.00 178.44 179.01 2bhq h ALA 306 N 1.04 0.31 -0.91 1.25 0.00 -0.95 -1.85 119.26 118.15 2bhq h ALA 306 Ca 0.16 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2bhq h ALA 306 Cb 0.21 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2bhq h ALA 306 CO -0.01 -0.16 0.59 0.00 0.00 0.00 0.00 179.25 179.66 2bhq h ALA 307 N 1.02 1.20 -0.21 0.00 0.00 -0.98 0.69 119.26 120.99 2bhq h ALA 307 Ca 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2bhq h ALA 307 Cb 0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2bhq h ALA 307 CO -0.01 0.44 0.04 1.49 0.00 0.00 0.00 179.25 181.20 2bhq h GLU 308 N 1.13 0.35 -0.43 0.00 4.22 -1.23 -1.52 114.58 117.10 2bhq h GLU 308 Ca 0.36 -0.09 -0.05 0.00 0.08 0.00 0.00 59.36 59.66 2bhq h GLU 308 Cb 0.02 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2bhq h GLU 308 CO -0.12 0.49 0.06 0.78 -2.18 0.00 0.00 179.01 178.04 2bhq h GLY 309 N 0.15 0.72 0.87 1.92 0.00 -0.91 -1.53 103.07 104.29 2bhq h GLY 309 Ca 0.06 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 2bhq h GLY 309 CO 0.00 0.39 -0.05 -2.08 0.00 0.00 0.00 176.54 174.80 2bhq h VAL 310 N 0.64 1.28 -0.66 4.60 2.07 -0.71 -0.88 116.25 122.58 2bhq h VAL 310 Ca 0.14 -1.06 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 2bhq h VAL 310 Cb 0.31 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 2bhq h VAL 310 CO 0.00 0.34 0.18 0.58 0.02 0.00 0.00 177.57 178.69 2bhq h VAL 311 N 0.29 1.25 -0.29 2.57 2.07 -0.99 0.12 116.25 121.28 2bhq h VAL 311 Ca 0.07 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 2bhq h VAL 311 Cb 0.52 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2bhq h VAL 311 CO 0.02 0.34 0.07 0.58 0.02 0.00 0.00 177.57 178.61 2bhq h VAL 312 N 0.97 1.22 -0.29 2.57 2.07 -1.25 -1.30 116.25 120.23 2bhq h VAL 312 Ca 0.21 -0.72 -0.09 0.00 0.82 0.00 0.00 66.70 66.92 2bhq h VAL 312 Cb 0.33 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2bhq h VAL 312 CO -0.00 0.24 -0.18 0.28 0.02 0.00 0.00 177.57 177.92 2bhq h SER 313 N 0.29 0.51 0.50 0.57 0.02 -0.92 -1.63 113.55 112.90 2bhq h SER 313 Ca 0.09 -0.15 -0.30 0.00 -0.84 0.00 0.00 61.79 60.59 2bhq h SER 313 Cb 0.29 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2bhq h SER 313 CO 0.00 0.71 -1.49 0.00 -1.14 0.00 0.00 176.83 174.91 2bhq h ALA 314 N 1.34 0.30 -0.01 3.77 0.00 -0.71 -1.40 119.26 122.54 2bhq h ALA 314 Ca 0.08 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.88 2bhq h ALA 314 Cb 0.59 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2bhq h ALA 314 CO 0.04 1.17 -0.16 0.66 0.00 0.00 0.00 179.25 180.95 2bhq n TYR 315 N -3.42 0.00 -1.72 0.00 4.01 -0.50 -3.47 117.16 112.06 2bhq n TYR 315 Ca -0.15 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.16 2bhq n TYR 315 Cb 1.03 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.04 2bhq n TYR 315 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2bhq n GLY 316 N 0.82 1.22 4.09 2.72 0.00 -0.61 -0.79 105.19 112.63 2bhq n GLY 316 Ca 0.04 0.52 -0.33 0.00 0.00 0.00 0.00 46.02 46.25 2bhq n GLY 316 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2bhq n PHE 317 N 2.52 -1.89 -2.22 1.61 7.35 -1.26 -1.43 117.46 122.14 2bhq n PHE 317 Ca 0.11 0.82 -0.17 0.00 -0.76 0.00 0.00 57.45 57.45 2bhq n PHE 317 Cb 0.34 -3.38 -0.02 0.00 0.35 0.00 0.00 39.48 36.77 2bhq n PHE 317 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2bhq n GLN 318 N -4.47 -1.80 -1.05 -4.13 3.00 0.02 -1.36 117.38 107.60 2bhq n GLN 318 Ca -0.00 0.88 -0.02 0.00 -0.01 0.00 0.00 57.00 57.85 2bhq n GLN 318 Cb 0.53 -5.45 -0.01 0.00 0.00 0.00 0.00 30.24 25.31 2bhq n GLN 318 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2bhq n GLY 319 N -0.80 0.45 2.44 1.08 0.00 -0.51 -1.30 105.19 106.55 2bhq n GLY 319 Ca -0.20 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 2bhq n GLY 319 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bhq n GLN 320 N -1.66 3.78 -4.10 1.61 6.02 -0.46 -3.48 117.38 119.09 2bhq n GLN 320 Ca -0.02 -2.91 -0.14 0.00 -0.01 0.00 0.00 57.00 53.92 2bhq n GLN 320 Cb 0.22 -2.48 -0.13 0.00 1.02 0.00 0.00 30.24 28.87 2bhq n GLN 320 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2bhq s LYS 321 N -0.91 0.42 0.26 -1.09 1.02 -1.26 -4.85 119.74 113.34 2bhq s LYS 321 Ca 0.58 -0.38 0.24 0.00 0.02 0.00 0.00 55.97 56.42 2bhq s LYS 321 Cb 0.25 -0.32 0.99 0.00 -0.52 0.00 0.00 37.83 38.23 2bhq s LYS 321 CO -0.12 0.08 1.71 0.00 -0.92 0.00 0.00 175.35 176.09 2bhq n SER 323 N -2.25 1.63 -4.75 0.00 3.41 -1.26 -3.72 113.62 106.67 2bhq n SER 323 Ca 0.02 -1.28 -0.41 0.00 -0.26 0.00 0.00 58.87 56.94 2bhq n SER 323 Cb 0.22 0.55 0.01 0.00 -0.26 0.00 0.00 64.21 64.73 2bhq n SER 323 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bhq n ALA 324 N -0.48 1.98 -2.43 7.33 0.00 -0.88 -4.47 120.51 121.56 2bhq n ALA 324 Ca 0.08 0.28 -0.43 0.00 0.00 0.00 0.00 53.44 53.37 2bhq n ALA 324 Cb 0.42 -2.38 -0.02 0.00 0.00 0.00 0.00 19.45 17.47 2bhq n ALA 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bhq s ALA 325 N -1.17 3.05 -0.99 0.00 0.00 -0.53 -4.03 121.76 118.09 2bhq s ALA 325 Ca 0.59 -0.33 0.12 0.00 0.00 0.00 0.00 51.96 52.34 2bhq s ALA 325 Cb -0.47 -3.95 -0.03 0.00 0.00 0.00 0.00 23.12 18.67 2bhq s ALA 325 CO 0.59 -2.43 0.66 -1.13 0.00 0.00 0.00 175.76 173.46 2bhq n SER 326 N 8.61 1.17 -4.00 0.00 3.41 -0.12 -4.03 113.62 118.66 2bhq n SER 326 Ca 0.15 -1.09 -0.21 0.00 -0.26 0.00 0.00 58.87 57.47 2bhq n SER 326 Cb 0.48 0.60 -0.16 0.00 -0.26 0.00 0.00 64.21 64.88 2bhq n SER 326 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2bhq s ARG 327 N -1.70 1.00 -0.25 4.33 0.52 -0.72 -1.18 118.95 120.95 2bhq s ARG 327 Ca 0.09 -0.30 0.02 0.00 -0.52 0.00 0.00 55.73 55.01 2bhq s ARG 327 Cb 0.10 -0.93 0.06 0.00 0.52 0.00 0.00 34.95 34.70 2bhq s ARG 327 CO 0.35 0.10 -0.10 -1.17 0.02 0.00 0.00 175.30 174.51 2bhq s LEU 328 N 0.24 3.07 -0.36 2.53 2.96 0.18 -1.43 118.68 125.87 2bhq s LEU 328 Ca -0.04 -1.28 -0.12 0.00 -0.22 0.00 0.00 54.13 52.47 2bhq s LEU 328 Cb -0.09 -1.41 0.00 0.00 0.50 0.00 0.00 46.19 45.19 2bhq s LEU 328 CO 0.01 -0.20 0.23 -0.63 -1.32 0.00 0.00 176.35 174.44 2bhq s ILE 329 N 1.21 5.01 -0.15 6.68 1.01 0.12 -0.57 121.20 134.51 2bhq s ILE 329 Ca -0.07 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.08 2bhq s ILE 329 Cb -0.19 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 2bhq s ILE 329 CO -0.06 -0.11 -0.11 -0.76 0.00 0.00 0.00 174.94 173.91 2bhq s LEU 330 N 1.66 2.78 0.84 2.97 1.43 -0.29 -1.29 118.68 126.77 2bhq s LEU 330 Ca 0.05 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 2bhq s LEU 330 Cb -0.18 -1.65 0.09 0.00 0.03 0.00 0.00 46.19 44.49 2bhq s LEU 330 CO 0.09 0.12 1.09 0.42 0.23 0.00 0.00 176.35 178.30 2bhq s THR 331 N 0.62 2.97 0.23 5.49 -4.23 -1.03 -1.06 115.64 118.64 2bhq s THR 331 Ca -0.06 0.32 -0.07 0.00 -1.18 0.00 0.00 61.69 60.70 2bhq s THR 331 Cb -0.15 -2.77 0.22 0.00 1.34 0.00 0.00 72.50 71.14 2bhq s THR 331 CO 0.03 -0.41 1.68 -0.61 -0.54 0.00 0.00 174.62 174.77 2bhq h GLN 332 N -1.36 0.22 0.00 3.99 5.75 -0.78 -0.82 115.11 122.12 2bhq h GLN 332 Ca -0.46 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.01 2bhq h GLN 332 Cb 1.26 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.75 2bhq h GLN 332 CO 0.52 0.15 -0.07 0.78 -2.65 0.00 0.00 178.83 177.56 2bhq h GLY 333 N 0.23 0.00 0.22 2.39 0.00 -1.88 -3.05 103.07 100.98 2bhq h GLY 333 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 2bhq h GLY 333 CO -0.51 0.00 -1.30 0.00 0.00 0.00 0.00 176.54 174.73 2bhq n ALA 334 N -2.15 3.70 0.01 3.60 0.00 -0.43 -4.68 120.51 120.57 2bhq n ALA 334 Ca -0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 53.44 52.88 2bhq n ALA 334 Cb 0.31 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 2bhq n ALA 334 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2bhq h TYR 335 N 0.00 -0.56 0.12 0.00 3.20 -1.12 -0.99 116.97 117.62 2bhq h TYR 335 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2bhq h TYR 335 Cb 0.73 0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.25 2bhq h TYR 335 CO 0.00 -0.20 -0.06 1.49 -1.64 0.00 0.00 178.16 177.75 2bhq h GLU 336 N -0.23 -0.16 -0.52 1.82 4.22 -1.84 -0.89 114.58 116.98 2bhq h GLU 336 Ca 0.01 0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.52 2bhq h GLU 336 Cb 0.25 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 2bhq h GLU 336 CO -0.13 -0.00 0.23 -1.35 -2.18 0.00 0.00 179.01 175.57 2bhq h PRO 337 N -0.28 0.43 -0.07 0.92 0.11 -1.83 -1.71 132.00 129.58 2bhq h PRO 337 Ca -0.02 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.90 2bhq h PRO 337 Cb 0.22 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.25 2bhq h PRO 337 CO 0.03 0.28 -0.61 0.28 -0.21 0.00 0.00 178.00 177.77 2bhq h VAL 338 N 0.44 1.37 -0.72 3.15 2.07 -1.18 -2.99 116.25 118.39 2bhq h VAL 338 Ca 0.24 -1.96 -0.02 0.00 0.82 0.00 0.00 66.70 65.79 2bhq h VAL 338 Cb 0.21 2.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.27 2bhq h VAL 338 CO -0.21 0.59 0.37 0.25 0.02 0.00 0.00 177.57 178.59 2bhq h LEU 339 N 0.12 0.92 -0.87 2.57 5.85 -1.09 0.48 115.31 123.28 2bhq h LEU 339 Ca -0.06 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 2bhq h LEU 339 Cb 1.28 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 2bhq h LEU 339 CO 0.12 0.77 0.42 1.05 -0.34 0.00 0.00 178.44 180.46 2bhq h GLU 340 N 0.99 1.23 -0.38 1.25 -0.00 -1.39 -0.71 114.58 115.58 2bhq h GLU 340 Ca 0.25 -0.18 -0.15 0.00 -0.00 0.00 0.00 59.36 59.28 2bhq h GLU 340 Cb 0.08 -0.22 -0.01 0.00 -0.00 0.00 0.00 28.75 28.59 2bhq h GLU 340 CO -0.04 0.94 -0.36 0.00 -0.00 0.00 0.00 179.01 179.55 2bhq h ARG 341 N 1.22 0.90 -0.61 1.06 3.08 -1.29 -2.03 114.38 116.72 2bhq h ARG 341 Ca 0.30 -0.46 -0.07 0.00 0.07 0.00 0.00 59.98 59.82 2bhq h ARG 341 Cb 0.11 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2bhq h ARG 341 CO -0.04 1.11 0.12 0.28 -1.07 0.00 0.00 179.97 180.37 2bhq h VAL 342 N 0.74 1.26 -0.47 2.04 2.07 -0.58 -1.90 116.25 119.42 2bhq h VAL 342 Ca 0.07 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 2bhq h VAL 342 Cb 0.95 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2bhq h VAL 342 CO 0.09 0.36 0.05 -0.07 0.02 0.00 0.00 177.57 178.02 2bhq h LEU 343 N 0.91 0.77 -0.84 2.57 3.38 -1.06 0.22 115.31 121.26 2bhq h LEU 343 Ca 0.19 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2bhq h LEU 343 Cb 0.40 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2bhq h LEU 343 CO 0.01 0.86 0.41 0.11 0.09 0.00 0.00 178.44 179.91 2bhq h LYS 344 N 0.66 1.22 -0.11 1.13 1.57 -1.23 -1.08 116.57 118.72 2bhq h LYS 344 Ca 0.14 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 2bhq h LYS 344 Cb 0.43 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2bhq h LYS 344 CO 0.01 0.93 -0.30 0.00 -0.57 0.00 0.00 179.45 179.53 2bhq h ARG 345 N 1.20 0.40 -0.33 3.15 3.08 -1.18 -3.29 114.38 117.42 2bhq h ARG 345 Ca 0.29 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2bhq h ARG 345 Cb 0.12 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2bhq h ARG 345 CO -0.04 0.90 -0.03 0.00 -1.07 0.00 0.00 179.97 179.73 2bhq h ALA 346 N 0.50 1.35 0.00 0.04 0.00 -0.81 -2.42 119.26 117.92 2bhq h ALA 346 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2bhq h ALA 346 Cb 0.91 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2bhq h ALA 346 CO 0.06 0.45 0.00 -0.85 0.00 0.00 0.00 179.25 178.91 2bhq n GLU 347 N -4.27 0.04 0.00 0.00 0.28 -0.42 -2.40 120.64 113.87 2bhq n GLU 347 Ca 0.01 0.25 0.12 0.00 -0.16 0.00 0.00 57.16 57.38 2bhq n GLU 347 Cb 0.26 -1.57 0.16 0.00 1.43 0.00 0.00 31.44 31.72 2bhq n GLU 347 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2bhq n ARG 348 N -1.64 1.21 -2.15 3.44 1.74 -0.91 -4.95 116.66 113.40 2bhq n ARG 348 Ca 0.04 -0.92 -0.41 0.00 -0.77 0.00 0.00 57.85 55.79 2bhq n ARG 348 Cb 0.21 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 2bhq n ARG 348 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2bhq s LEU 349 N -2.42 4.41 0.22 0.55 1.43 -1.01 -5.01 118.68 116.85 2bhq s LEU 349 Ca 0.22 2.51 -0.14 0.00 -1.03 0.00 0.00 54.13 55.69 2bhq s LEU 349 Cb 0.19 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.71 2bhq s LEU 349 CO 0.52 -0.58 0.62 -0.94 0.23 0.00 0.00 176.35 176.20 2bhq s SER 350 N 0.26 6.80 -0.06 2.29 1.04 -1.26 -4.97 113.70 117.80 2bhq s SER 350 Ca 0.57 1.14 0.01 0.00 0.48 0.00 0.00 55.95 58.14 2bhq s SER 350 Cb -0.38 -2.31 0.02 0.00 0.10 0.00 0.00 66.02 63.45 2bhq s SER 350 CO 0.41 -0.02 -0.06 -0.69 0.98 0.00 0.00 173.24 173.87 2bhq s VAL 351 N -1.67 0.68 -0.02 5.02 1.01 -1.26 -1.15 120.40 123.02 2bhq s VAL 351 Ca 0.44 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.19 2bhq s VAL 351 Cb -0.13 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.57 2bhq s VAL 351 CO 0.20 0.27 0.27 0.61 0.00 0.00 0.00 175.10 176.44 2bhq n GLY 352 N 4.22 0.35 3.63 4.51 0.00 -0.74 -5.00 105.19 112.16 2bhq n GLY 352 Ca -0.21 -0.85 -0.48 0.00 0.00 0.00 0.00 46.02 44.48 2bhq n GLY 352 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2bhq n PRO 353 N -0.19 1.65 -0.22 1.61 -0.02 -1.26 -4.21 135.00 132.35 2bhq n PRO 353 Ca 0.01 0.59 0.16 0.00 -2.02 0.00 0.00 63.50 62.24 2bhq n PRO 353 Cb 0.11 -2.27 0.47 0.00 -0.02 0.00 0.00 33.50 31.79 2bhq n PRO 353 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bhq h ALA 354 N 4.93 2.07 0.00 3.55 0.00 -1.86 -0.73 119.26 127.22 2bhq h ALA 354 Ca -0.46 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2bhq h ALA 354 Cb 1.30 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2bhq h ALA 354 CO 0.81 -0.31 -0.01 1.05 0.00 0.00 0.00 179.25 180.79 2bhq h GLU 355 N 0.49 0.00 0.00 0.00 4.11 -1.86 -0.11 114.58 117.21 2bhq h GLU 355 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.86 2bhq h GLU 355 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2bhq h GLU 355 CO -0.17 0.01 0.00 0.39 0.07 0.00 0.00 179.01 179.31 2bhq n GLU 356 N -3.71 0.97 -3.57 1.06 -0.58 -0.28 -4.93 120.64 109.60 2bhq n GLU 356 Ca -0.03 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.50 2bhq n GLU 356 Cb 0.09 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.51 2bhq n GLU 356 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2bhq n ASN 357 N -1.01 -2.90 -4.49 1.62 5.15 -0.05 -5.00 115.26 108.57 2bhq n ASN 357 Ca 0.23 -0.80 -0.29 0.00 -0.60 0.00 0.00 54.58 53.12 2bhq n ASN 357 Cb 0.12 -4.34 0.15 0.00 -0.53 0.00 0.00 39.78 35.18 2bhq n ASN 357 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2bhq s PRO 358 N -5.59 1.09 0.22 1.20 0.04 -1.26 -4.88 135.00 125.81 2bhq s PRO 358 Ca 0.15 -0.09 -0.03 0.00 0.04 0.00 0.00 61.00 61.08 2bhq s PRO 358 Cb -0.04 -1.87 0.21 0.00 0.04 0.00 0.00 34.50 32.85 2bhq s PRO 358 CO 0.79 -2.16 1.61 -0.44 0.04 0.00 0.00 177.00 176.85 2bhq h ASP 359 N -1.46 0.68 -3.57 6.66 3.32 -1.84 -3.43 116.42 116.77 2bhq h ASP 359 Ca -0.46 -0.27 -0.45 0.00 0.02 0.00 0.00 57.03 55.87 2bhq h ASP 359 Cb 1.29 -0.19 -0.33 0.00 0.22 0.00 0.00 39.33 40.32 2bhq h ASP 359 CO 0.52 0.95 -0.79 -0.76 -1.72 0.00 0.00 179.24 177.44 2bhq s LEU 360 N -8.70 1.58 0.00 1.55 1.02 -0.30 -4.68 118.68 109.14 2bhq s LEU 360 Ca -0.08 -0.20 0.00 0.00 0.02 0.00 0.00 54.13 53.87 2bhq s LEU 360 Cb 0.13 -0.59 0.00 0.00 0.02 0.00 0.00 46.19 45.74 2bhq s LEU 360 CO 0.83 0.01 0.00 0.61 0.02 0.00 0.00 176.35 177.82 2bhq n GLY 361 N 3.72 1.14 3.94 -3.19 0.00 -1.26 -1.79 105.19 107.74 2bhq n GLY 361 Ca -0.22 -1.86 -0.25 0.00 0.00 0.00 0.00 46.02 43.69 2bhq n GLY 361 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bhq s PRO 362 N 2.13 2.80 0.82 1.61 0.04 -1.26 -4.69 135.00 136.45 2bhq s PRO 362 Ca 0.00 -0.28 -0.12 0.00 0.04 0.00 0.00 61.00 60.64 2bhq s PRO 362 Cb 0.00 -2.36 0.08 0.00 0.04 0.00 0.00 34.50 32.26 2bhq s PRO 362 CO 0.00 -0.67 1.11 0.14 0.04 0.00 0.00 177.00 177.62 2bhq s VAL 363 N -2.88 2.81 0.40 -0.36 -7.23 0.49 -4.81 120.40 108.81 2bhq s VAL 363 Ca 0.54 0.26 0.20 0.00 -1.81 0.00 0.00 61.98 61.17 2bhq s VAL 363 Cb -0.10 -3.03 0.21 0.00 0.56 0.00 0.00 36.38 34.02 2bhq s VAL 363 CO 0.42 -0.34 1.98 1.62 -0.31 0.00 0.00 175.10 178.47 2bhq h VAL 364 N -1.16 0.89 -3.20 1.32 3.04 -1.89 -3.42 116.25 111.84 2bhq h VAL 364 Ca -0.48 -0.77 0.01 0.00 -1.01 0.00 0.00 66.70 64.45 2bhq h VAL 364 Cb 1.28 1.45 -0.05 0.00 -2.01 0.00 0.00 31.29 31.96 2bhq h VAL 364 CO 0.60 0.20 0.14 -0.94 -1.01 0.00 0.00 177.57 176.57 2bhq s SER 365 N -6.58 -0.11 0.21 3.17 1.04 -1.26 -4.64 113.70 105.52 2bhq s SER 365 Ca -0.03 -0.83 -0.08 0.00 0.48 0.00 0.00 55.95 55.49 2bhq s SER 365 Cb 0.14 0.72 0.14 0.00 0.10 0.00 0.00 66.02 67.12 2bhq s SER 365 CO 0.65 -1.37 1.73 0.00 0.98 0.00 0.00 173.24 175.23 2bhq h ALA 366 N 2.06 0.97 -0.52 5.32 0.00 -1.98 -0.65 119.26 124.45 2bhq h ALA 366 Ca -0.24 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 2bhq h ALA 366 Cb 1.25 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2bhq h ALA 366 CO 0.30 0.67 0.08 1.49 0.00 0.00 0.00 179.25 181.78 2bhq h GLU 367 N 1.07 0.86 -0.70 0.00 4.57 -1.99 -0.45 114.58 117.94 2bhq h GLU 367 Ca 0.22 -0.24 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 2bhq h GLU 367 Cb 0.37 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.83 2bhq h GLU 367 CO 0.00 0.85 0.17 1.96 -1.18 0.00 0.00 179.01 180.82 2bhq h GLN 368 N 0.74 1.12 -0.56 1.92 1.08 -1.89 -1.53 115.11 116.00 2bhq h GLN 368 Ca 0.16 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 2bhq h GLN 368 Cb 0.41 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.67 2bhq h GLN 368 CO 0.01 0.98 0.27 1.49 -0.95 0.00 0.00 178.83 180.63 2bhq h GLU 369 N 1.06 0.81 -0.65 1.46 4.81 -0.79 -0.99 114.58 120.29 2bhq h GLU 369 Ca 0.22 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2bhq h GLU 369 Cb 0.36 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 2bhq h GLU 369 CO 0.00 0.66 0.41 -0.09 -0.73 0.00 0.00 179.01 179.26 2bhq h ARG 370 N 0.76 0.88 -0.38 1.92 2.43 -0.74 -0.97 114.38 118.27 2bhq h ARG 370 Ca 0.19 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 2bhq h ARG 370 Cb 0.12 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2bhq h ARG 370 CO -0.02 0.61 0.07 0.87 -1.51 0.00 0.00 179.97 179.99 2bhq h LYS 371 N 0.89 0.62 -0.48 0.20 1.57 -0.98 -0.66 116.57 117.74 2bhq h LYS 371 Ca 0.24 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2bhq h LYS 371 Cb -0.05 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2bhq h LYS 371 CO -0.05 0.68 0.14 0.28 -0.57 0.00 0.00 179.45 179.94 2bhq h VAL 372 N 0.47 1.23 -0.14 0.50 2.07 -0.99 -1.35 116.25 118.04 2bhq h VAL 372 Ca 0.12 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 2bhq h VAL 372 Cb 0.35 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2bhq h VAL 372 CO 0.01 0.28 -0.19 -0.07 0.02 0.00 0.00 177.57 177.61 2bhq h LEU 373 N 0.63 0.22 -0.47 2.57 3.38 -1.09 -1.53 115.31 119.03 2bhq h LEU 373 Ca 0.15 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2bhq h LEU 373 Cb 0.28 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2bhq h LEU 373 CO -0.00 0.43 -0.08 -1.28 0.09 0.00 0.00 178.44 177.60 2bhq h SER 374 N 0.22 0.88 0.23 -0.43 0.87 -0.65 -2.10 113.55 112.57 2bhq h SER 374 Ca 0.04 -0.34 -0.07 0.00 -1.23 0.00 0.00 61.79 60.18 2bhq h SER 374 Cb 0.47 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2bhq h SER 374 CO 0.03 1.02 -0.29 1.88 -0.53 0.00 0.00 176.83 178.94 2bhq h TYR 375 N 0.73 0.11 -0.46 2.24 0.05 -0.77 -1.78 116.97 117.09 2bhq h TYR 375 Ca 0.12 -0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.78 2bhq h TYR 375 Cb 0.61 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.31 2bhq h TYR 375 CO 0.05 0.39 -0.14 0.82 -1.05 0.00 0.00 178.16 178.23 2bhq h ILE 376 N 0.09 1.26 -0.50 -2.88 2.04 -0.91 0.10 117.51 116.72 2bhq h ILE 376 Ca 0.01 -1.25 -0.11 0.00 1.00 0.00 0.00 64.86 64.52 2bhq h ILE 376 Cb 0.57 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 2bhq h ILE 376 CO 0.04 0.43 -0.10 -0.33 0.00 0.00 0.00 178.15 178.19 2bhq h GLU 377 N 0.77 0.93 -0.37 2.37 4.39 -0.82 -1.84 114.58 120.02 2bhq h GLU 377 Ca 0.12 -0.33 -0.04 0.00 0.34 0.00 0.00 59.36 59.45 2bhq h GLU 377 Cb 0.66 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 2bhq h GLU 377 CO 0.05 0.98 0.07 0.82 -1.16 0.00 0.00 179.01 179.78 2bhq h ILE 378 N 0.83 1.23 -0.08 3.13 2.04 -1.06 -2.90 117.51 120.71 2bhq h ILE 378 Ca 0.13 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 2bhq h ILE 378 Cb 0.64 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 2bhq h ILE 378 CO 0.04 0.27 0.00 1.23 0.00 0.00 0.00 178.15 179.70 2bhq h GLY 379 N 0.44 0.11 2.00 5.37 0.00 -0.50 -2.15 103.07 108.34 2bhq h GLY 379 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 2bhq h GLY 379 CO 0.00 0.04 -0.02 0.50 0.00 0.00 0.00 176.54 177.07 2bhq h LYS 380 N 0.11 0.00 -0.34 4.80 1.57 -1.12 0.69 116.57 122.27 2bhq h LYS 380 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2bhq h LYS 380 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2bhq h LYS 380 CO 0.00 0.02 0.00 0.09 -0.57 0.00 0.00 179.45 178.99 2bhq n ASN 381 N -3.52 3.13 -0.03 0.86 5.03 -0.82 -4.53 115.26 115.39 2bhq n ASN 381 Ca -0.03 -1.91 -0.05 0.00 0.87 0.00 0.00 54.58 53.47 2bhq n ASN 381 Cb 0.12 -0.22 -0.02 0.00 -1.02 0.00 0.00 39.78 38.64 2bhq n ASN 381 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2bhq n GLU 382 N 1.16 0.13 -1.62 3.52 1.02 -0.49 -5.10 120.64 119.26 2bhq n GLU 382 Ca 0.16 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 2bhq n GLU 382 Cb 0.52 -0.95 0.00 0.00 -0.02 0.00 0.00 31.44 30.98 2bhq n GLU 382 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bhq n GLY 383 N 3.01 4.66 3.39 0.62 0.00 0.12 -4.48 105.19 112.50 2bhq n GLY 383 Ca -0.10 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.57 2bhq n GLY 383 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2bhq s GLN 384 N -1.43 3.27 -0.06 1.61 0.74 -0.50 -4.61 119.66 118.67 2bhq s GLN 384 Ca 0.00 -0.75 -0.30 0.00 0.05 0.00 0.00 55.36 54.37 2bhq s GLN 384 Cb 0.00 -3.41 -0.04 0.00 1.10 0.00 0.00 33.01 30.66 2bhq s GLN 384 CO 0.00 -0.38 1.37 -1.17 -0.55 0.00 0.00 175.29 174.56 2bhq s LEU 385 N 1.55 4.27 0.00 3.68 2.96 -1.26 -0.57 118.68 129.31 2bhq s LEU 385 Ca 0.04 1.97 0.00 0.00 -0.22 0.00 0.00 54.13 55.92 2bhq s LEU 385 Cb -0.17 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.97 2bhq s LEU 385 CO 0.04 -0.74 0.30 1.33 -1.32 0.00 0.00 176.35 175.95 2bhq n VAL 386 N 4.98 0.00 -3.63 1.68 0.24 -0.19 -4.96 118.33 116.44 2bhq n VAL 386 Ca 0.14 -0.46 -0.11 0.00 -2.04 0.00 0.00 64.34 61.86 2bhq n VAL 386 Cb 0.44 1.05 -0.07 0.00 -1.47 0.00 0.00 33.84 33.79 2bhq n VAL 386 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2bhq s LEU 387 N -0.66 -0.70 0.00 1.34 2.96 -1.15 -4.95 118.68 115.52 2bhq s LEU 387 Ca 0.00 1.29 0.00 0.00 -0.22 0.00 0.00 54.13 55.20 2bhq s LEU 387 Cb 0.00 2.28 0.00 0.00 0.50 0.00 0.00 46.19 48.97 2bhq s LEU 387 CO 0.00 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 2bhq n GLY 388 N 2.95 3.11 1.28 7.98 0.00 -1.23 -1.47 105.19 117.81 2bhq n GLY 388 Ca -0.15 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2bhq n GLY 388 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bhq n GLY 389 N 0.00 0.65 3.32 -0.02 0.00 -1.26 -4.96 105.19 102.92 2bhq n GLY 389 Ca 0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 2bhq n GLY 389 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bhq s LYS 390 N -1.51 1.07 0.38 1.61 -2.85 -1.26 -4.98 119.74 112.20 2bhq s LYS 390 Ca 0.00 -0.82 -0.24 0.00 -1.00 0.00 0.00 55.97 53.92 2bhq s LYS 390 Cb 0.00 0.44 -0.10 0.00 -2.06 0.00 0.00 37.83 36.11 2bhq s LYS 390 CO 0.00 -0.41 0.98 0.50 0.10 0.00 0.00 175.35 176.52 2bhq s ARG 391 N -3.84 4.34 0.47 1.78 3.52 -1.26 -2.17 118.95 121.79 2bhq s ARG 391 Ca 0.05 1.32 0.03 0.00 -0.13 0.00 0.00 55.73 57.01 2bhq s ARG 391 Cb 0.02 -2.52 0.01 0.00 -1.56 0.00 0.00 34.95 30.90 2bhq s ARG 391 CO -0.10 0.05 0.67 -0.51 -0.81 0.00 0.00 175.30 174.60 2bhq s LEU 392 N -2.59 3.53 0.50 -0.88 1.43 0.18 -4.90 118.68 115.95 2bhq s LEU 392 Ca 0.56 -0.07 -0.22 0.00 -1.03 0.00 0.00 54.13 53.38 2bhq s LEU 392 Cb -0.17 -2.86 -0.07 0.00 0.03 0.00 0.00 46.19 43.12 2bhq s LEU 392 CO 0.22 -0.87 1.16 -1.61 0.23 0.00 0.00 176.35 175.48 2bhq s GLU 393 N -4.55 3.57 0.00 1.70 2.02 -1.26 -4.75 118.70 115.43 2bhq s GLU 393 Ca 0.53 1.74 0.00 0.00 0.02 0.00 0.00 54.97 57.27 2bhq s GLU 393 Cb -0.10 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.88 2bhq s GLU 393 CO 0.36 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 175.35 2bhq n GLY 394 N 0.37 3.59 0.20 -1.39 0.00 -1.26 -4.89 105.19 101.81 2bhq n GLY 394 Ca 0.09 -1.79 -0.06 0.00 0.00 0.00 0.00 46.02 44.26 2bhq n GLY 394 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bhq h GLU 395 N 0.00 0.41 -7.28 1.61 4.39 -1.92 -3.45 114.58 108.34 2bhq h GLU 395 Ca 0.00 -0.23 -0.52 0.00 0.34 0.00 0.00 59.36 58.95 2bhq h GLU 395 Cb 0.00 0.02 0.18 0.00 -0.10 0.00 0.00 28.75 28.85 2bhq h GLU 395 CO 0.00 0.81 0.24 0.20 -1.16 0.00 0.00 179.01 179.10 2bhq s GLY 396 N -4.17 1.68 -1.43 -3.84 0.00 -1.24 -4.61 107.32 93.71 2bhq s GLY 396 Ca -0.06 0.50 -0.10 0.00 0.00 0.00 0.00 44.72 45.06 2bhq s GLY 396 CO 0.81 0.91 2.38 -1.72 0.00 0.00 0.00 173.10 175.48 2bhq n TYR 397 N -4.09 2.87 -3.11 1.90 0.53 -0.87 -4.95 117.16 109.44 2bhq n TYR 397 Ca 0.11 -2.93 -0.40 0.00 -1.02 0.00 0.00 57.90 53.66 2bhq n TYR 397 Cb 0.52 -2.23 -0.06 0.00 -1.03 0.00 0.00 39.34 36.55 2bhq n TYR 397 CO 0.00 0.00 0.00 -0.06 -1.02 0.00 0.00 176.86 175.78 2bhq s PHE 398 N 1.24 3.37 -0.05 -0.72 0.08 -1.26 -0.38 117.98 120.27 2bhq s PHE 398 Ca 0.53 0.93 0.06 0.00 0.12 0.00 0.00 56.93 58.57 2bhq s PHE 398 Cb 0.15 -2.81 -0.01 0.00 -0.57 0.00 0.00 43.02 39.79 2bhq s PHE 398 CO -0.06 -0.18 -0.22 0.42 -0.10 0.00 0.00 175.22 175.07 2bhq s ILE 399 N 1.95 1.82 0.40 0.64 1.01 -1.26 -0.65 121.20 125.11 2bhq s ILE 399 Ca 0.29 -0.94 -0.24 0.00 0.00 0.00 0.00 60.65 59.76 2bhq s ILE 399 Cb -0.16 -1.54 -0.09 0.00 0.01 0.00 0.00 42.46 40.68 2bhq s ILE 399 CO 0.10 0.51 1.02 0.00 0.00 0.00 0.00 174.94 176.57 2bhq s ALA 400 N -0.17 3.08 0.07 9.38 0.00 -0.92 -4.93 121.76 128.28 2bhq s ALA 400 Ca -0.01 0.62 -0.35 0.00 0.00 0.00 0.00 51.96 52.22 2bhq s ALA 400 Cb -0.12 -3.24 -0.14 0.00 0.00 0.00 0.00 23.12 19.62 2bhq s ALA 400 CO 0.02 -0.10 1.60 -2.30 0.00 0.00 0.00 175.76 174.98 2bhq n PRO 401 N -0.12 1.90 -5.04 0.00 -0.02 -1.26 -4.30 135.00 126.16 2bhq n PRO 401 Ca 0.05 0.69 -0.31 0.00 -2.02 0.00 0.00 63.50 61.91 2bhq n PRO 401 Cb 0.51 -2.44 -0.15 0.00 -0.02 0.00 0.00 33.50 31.39 2bhq n PRO 401 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2bhq s THR 402 N 1.59 2.27 -0.03 3.45 2.01 0.31 -3.56 115.64 121.67 2bhq s THR 402 Ca 0.84 -1.19 0.01 0.00 0.31 0.00 0.00 61.69 61.66 2bhq s THR 402 Cb -0.76 -1.85 0.02 0.00 0.01 0.00 0.00 72.50 69.92 2bhq s THR 402 CO 0.44 0.47 -0.02 -0.69 -0.69 0.00 0.00 174.62 174.13 2bhq s VAL 403 N -0.73 0.30 -0.02 3.82 1.01 -0.54 -0.83 120.40 123.41 2bhq s VAL 403 Ca 0.11 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.16 2bhq s VAL 403 Cb -0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 2bhq s VAL 403 CO 0.01 0.17 -0.21 -0.36 0.00 0.00 0.00 175.10 174.71 2bhq s PHE 404 N 0.94 2.49 0.37 5.22 0.40 -0.22 -1.03 117.98 126.16 2bhq s PHE 404 Ca -0.11 -0.32 0.04 0.00 -0.60 0.00 0.00 56.93 55.95 2bhq s PHE 404 Cb -0.14 -1.54 -0.05 0.00 0.51 0.00 0.00 43.02 41.80 2bhq s PHE 404 CO -0.01 0.08 0.06 -0.08 0.70 0.00 0.00 175.22 175.97 2bhq s THR 405 N -0.69 1.15 -1.45 0.64 -1.32 0.26 -0.16 115.64 114.06 2bhq s THR 405 Ca 0.11 -2.00 -0.10 0.00 -1.21 0.00 0.00 61.69 58.49 2bhq s THR 405 Cb -0.10 -2.65 0.06 0.00 -1.51 0.00 0.00 72.50 68.30 2bhq s THR 405 CO 0.00 0.00 0.74 -0.62 -2.21 0.00 0.00 174.62 172.53 2bhq n GLU 406 N -0.83 -4.67 -2.74 7.08 -0.58 -0.96 -1.42 120.64 116.53 2bhq n GLU 406 Ca -0.05 0.62 -0.42 0.00 -0.42 0.00 0.00 57.16 56.89 2bhq n GLU 406 Cb 0.66 -5.44 -0.03 0.00 -0.57 0.00 0.00 31.44 26.06 2bhq n GLU 406 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2bhq s VAL 407 N -3.14 4.87 0.29 2.62 1.01 -0.72 -4.65 120.40 120.68 2bhq s VAL 407 Ca 0.50 1.99 -0.29 0.00 0.00 0.00 0.00 61.98 64.18 2bhq s VAL 407 Cb -0.25 -4.29 -0.10 0.00 0.00 0.00 0.00 36.38 31.74 2bhq s VAL 407 CO 0.62 0.13 1.40 -2.84 0.00 0.00 0.00 175.10 174.41 2bhq s PRO 408 N 1.25 4.28 0.49 2.72 0.02 -1.26 -4.59 135.00 137.90 2bhq s PRO 408 Ca 0.50 2.31 0.23 0.00 0.02 0.00 0.00 61.00 64.05 2bhq s PRO 408 Cb -0.20 -3.08 1.27 0.00 0.02 0.00 0.00 34.50 32.51 2bhq s PRO 408 CO 0.25 -0.36 1.93 -1.35 -0.33 0.00 0.00 177.00 177.14 2bhq h PRO 409 N 4.20 0.17 -0.42 5.54 0.11 -1.95 -1.18 132.00 138.48 2bhq h PRO 409 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2bhq h PRO 409 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2bhq h PRO 409 CO 0.72 0.12 0.00 1.63 -0.21 0.00 0.00 178.00 180.25 2bhq n LYS 410 N -4.40 2.25 -1.69 1.05 4.76 -1.26 -4.57 118.16 114.29 2bhq n LYS 410 Ca 0.15 -1.91 -0.35 0.00 -2.87 0.00 0.00 58.31 53.33 2bhq n LYS 410 Cb 0.68 -1.45 0.06 0.00 -1.84 0.00 0.00 35.03 32.48 2bhq n LYS 410 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2bhq s ALA 411 N -1.45 2.33 0.25 7.82 0.00 -0.45 -4.84 121.76 125.41 2bhq s ALA 411 Ca 0.37 0.87 -0.05 0.00 0.00 0.00 0.00 51.96 53.15 2bhq s ALA 411 Cb 0.20 -3.44 0.34 0.00 0.00 0.00 0.00 23.12 20.22 2bhq s ALA 411 CO 0.28 -1.53 1.87 0.00 0.00 0.00 0.00 175.76 176.38 2bhq h ARG 412 N 0.17 1.06 0.00 0.00 3.08 -1.93 -0.19 114.38 116.57 2bhq h ARG 412 Ca -0.48 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.50 2bhq h ARG 412 Cb 1.29 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.10 2bhq h ARG 412 CO 0.52 0.70 0.00 0.44 -1.07 0.00 0.00 179.97 180.56 2bhq n ILE 413 N -4.55 0.78 0.57 2.04 -5.35 -1.26 -0.66 119.36 110.93 2bhq n ILE 413 Ca 0.13 0.19 0.09 0.00 -0.27 0.00 0.00 62.75 62.89 2bhq n ILE 413 Cb 0.15 -0.91 0.10 0.00 -1.74 0.00 0.00 39.64 37.24 2bhq n ILE 413 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bhq n ALA 414 N -1.45 2.44 0.00 -1.28 0.00 -0.14 -4.63 120.51 115.46 2bhq n ALA 414 Ca 0.05 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2bhq n ALA 414 Cb 0.18 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.01 2bhq n ALA 414 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2bhq n GLN 415 N 1.03 1.52 -3.69 0.00 1.13 -0.79 -4.88 117.38 111.71 2bhq n GLN 415 Ca 0.12 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.82 2bhq n GLN 415 Cb 0.46 -0.84 -0.06 0.00 0.11 0.00 0.00 30.24 29.91 2bhq n GLN 415 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2bhq s GLU 416 N -1.69 3.66 -0.37 -1.09 2.02 0.17 -4.77 118.70 116.63 2bhq s GLU 416 Ca 0.00 0.07 -0.29 0.00 0.02 0.00 0.00 54.97 54.78 2bhq s GLU 416 Cb 0.00 -3.13 0.01 0.00 0.10 0.00 0.00 34.13 31.11 2bhq s GLU 416 CO 0.00 0.67 1.33 -2.00 0.02 0.00 0.00 175.26 175.28 2bhq s GLU 417 N -1.45 3.74 0.00 1.61 2.12 -1.26 -4.82 118.70 118.65 2bhq s GLU 417 Ca 0.25 1.03 -0.04 0.00 0.36 0.00 0.00 54.97 56.57 2bhq s GLU 417 Cb -0.14 -3.94 -0.28 0.00 0.26 0.00 0.00 34.13 30.03 2bhq s GLU 417 CO 0.13 -1.34 0.85 0.82 -0.54 0.00 0.00 175.26 175.17 2bhq h ILE 418 N 6.21 1.14 -5.71 -3.70 2.04 -1.94 -3.49 117.51 112.07 2bhq h ILE 418 Ca -0.26 -2.78 -0.37 0.00 1.00 0.00 0.00 64.86 62.45 2bhq h ILE 418 Cb 1.10 2.76 0.15 0.00 -0.74 0.00 0.00 36.82 40.08 2bhq h ILE 418 CO 1.07 0.82 -0.69 0.33 0.00 0.00 0.00 178.15 179.67 2bhq n PHE 419 N -3.46 -2.63 -4.12 1.37 -0.00 -1.26 -4.73 117.46 102.63 2bhq n PHE 419 Ca -0.17 0.98 -0.16 0.00 -0.00 0.00 0.00 57.45 58.10 2bhq n PHE 419 Cb 1.05 -4.99 -0.04 0.00 -0.00 0.00 0.00 39.48 35.49 2bhq n PHE 419 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2bhq n GLY 420 N -1.73 2.30 2.49 7.13 0.00 -1.23 -4.34 105.19 109.81 2bhq n GLY 420 Ca -0.08 -1.69 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 2bhq n GLY 420 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bhq n PRO 421 N -0.60 3.40 -3.88 1.61 -0.04 -0.42 -4.35 135.00 130.72 2bhq n PRO 421 Ca 0.02 -2.41 -0.29 0.00 -0.04 0.00 0.00 63.50 60.78 2bhq n PRO 421 Cb 0.60 -2.99 -0.16 0.00 -0.04 0.00 0.00 33.50 30.90 2bhq n PRO 421 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2bhq s VAL 422 N 2.45 1.14 -0.16 0.52 1.01 -1.26 -0.53 120.40 123.56 2bhq s VAL 422 Ca 0.60 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 2bhq s VAL 422 Cb 0.16 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 2bhq s VAL 422 CO -0.07 0.04 0.02 -0.22 0.00 0.00 0.00 175.10 174.88 2bhq s LEU 423 N 1.61 3.60 -0.24 3.92 2.96 -0.01 -4.75 118.68 125.77 2bhq s LEU 423 Ca -0.01 0.02 -0.07 0.00 -0.22 0.00 0.00 54.13 53.85 2bhq s LEU 423 Cb -0.16 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 2bhq s LEU 423 CO -0.07 0.19 0.06 -0.44 -1.32 0.00 0.00 176.35 174.76 2bhq s SER 424 N 0.25 5.06 -0.23 3.68 0.01 -0.33 -1.05 113.70 121.10 2bhq s SER 424 Ca 0.01 -0.21 -0.10 0.00 1.31 0.00 0.00 55.95 56.95 2bhq s SER 424 Cb -0.13 -1.91 -0.05 0.00 0.21 0.00 0.00 66.02 64.15 2bhq s SER 424 CO 0.01 -0.02 0.16 -0.69 0.41 0.00 0.00 173.24 173.11 2bhq s VAL 425 N 1.55 5.37 -0.13 3.43 1.01 0.77 -0.65 120.40 131.75 2bhq s VAL 425 Ca 0.06 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.25 2bhq s VAL 425 Cb -0.15 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 2bhq s VAL 425 CO 0.03 0.37 -0.19 -0.63 0.00 0.00 0.00 175.10 174.68 2bhq s ILE 426 N 0.86 2.43 -0.22 2.22 1.01 0.27 -1.75 121.20 126.01 2bhq s ILE 426 Ca 0.08 -0.87 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 2bhq s ILE 426 Cb -0.13 -1.99 -0.05 0.00 0.01 0.00 0.00 42.46 40.31 2bhq s ILE 426 CO 0.03 0.54 0.25 -0.60 0.00 0.00 0.00 174.94 175.15 2bhq s ARG 427 N 0.64 4.12 0.27 2.79 3.52 -1.26 -1.14 118.95 127.89 2bhq s ARG 427 Ca -0.10 -0.09 0.07 0.00 -0.13 0.00 0.00 55.73 55.48 2bhq s ARG 427 Cb -0.16 -3.53 -0.06 0.00 -1.56 0.00 0.00 34.95 29.64 2bhq s ARG 427 CO 0.02 0.04 -0.08 0.14 -0.81 0.00 0.00 175.30 174.62 2bhq s VAL 428 N 1.09 1.73 -0.00 7.11 -7.23 -0.22 -4.97 120.40 117.91 2bhq s VAL 428 Ca 0.12 -2.16 -0.22 0.00 -1.81 0.00 0.00 61.98 57.91 2bhq s VAL 428 Cb -0.14 -2.39 -0.19 0.00 0.56 0.00 0.00 36.38 34.22 2bhq s VAL 428 CO 0.05 -0.34 1.20 0.50 -0.31 0.00 0.00 175.10 176.20 2bhq h LYS 429 N 2.31 0.25 0.00 4.82 3.64 -1.93 0.14 116.57 125.80 2bhq h LYS 429 Ca -0.40 -0.18 -0.18 0.00 -1.27 0.00 0.00 60.65 58.62 2bhq h LYS 429 Cb 1.23 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.04 2bhq h LYS 429 CO 0.66 0.80 -0.11 -0.40 -2.27 0.00 0.00 179.45 178.14 2bhq n ASP 430 N -4.55 -0.81 -0.20 4.20 5.68 -1.26 -3.67 116.55 115.95 2bhq n ASP 430 Ca -0.08 -2.19 -0.05 0.00 -0.50 0.00 0.00 54.79 51.97 2bhq n ASP 430 Cb 0.42 1.53 0.13 0.00 -1.14 0.00 0.00 41.12 42.06 2bhq n ASP 430 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2bhq h PHE 431 N 1.63 1.03 -0.38 2.11 3.57 -1.98 -0.92 116.94 122.00 2bhq h PHE 431 Ca -0.17 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.25 2bhq h PHE 431 Cb 0.74 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 2bhq h PHE 431 CO 0.00 0.83 0.24 0.00 -2.23 0.00 0.00 178.31 177.15 2bhq h ALA 432 N 1.24 0.48 -0.30 2.41 0.00 -2.00 -0.84 119.26 120.25 2bhq h ALA 432 Ca 0.21 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2bhq h ALA 432 Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2bhq h ALA 432 CO -0.00 -0.09 -0.14 1.49 0.00 0.00 0.00 179.25 180.50 2bhq h GLU 433 N 0.48 0.52 -0.54 0.00 4.81 -1.91 -1.76 114.58 116.18 2bhq h GLU 433 Ca 0.15 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2bhq h GLU 433 Cb -0.02 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 2bhq h GLU 433 CO -0.05 0.65 0.32 0.00 -0.73 0.00 0.00 179.01 179.20 2bhq h ALA 434 N 1.38 0.69 -0.45 2.92 0.00 -0.37 -0.64 119.26 122.79 2bhq h ALA 434 Ca 0.08 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2bhq h ALA 434 Cb 0.53 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2bhq h ALA 434 CO 0.03 0.18 -0.14 -0.07 0.00 0.00 0.00 179.25 179.25 2bhq h LEU 435 N 0.72 0.83 -0.25 0.00 3.38 -0.86 0.38 115.31 119.52 2bhq h LEU 435 Ca 0.19 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2bhq h LEU 435 Cb -0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2bhq h LEU 435 CO -0.04 0.98 0.15 -0.33 0.09 0.00 0.00 178.44 179.30 2bhq h GLU 436 N 0.75 0.34 -0.55 1.13 5.08 -0.91 -0.23 114.58 120.18 2bhq h GLU 436 Ca 0.12 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 2bhq h GLU 436 Cb 0.65 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2bhq h GLU 436 CO 0.05 0.27 -0.04 0.28 -1.00 0.00 0.00 179.01 178.57 2bhq h VAL 437 N 0.31 1.27 -0.65 3.13 2.07 -0.99 -1.86 116.25 119.53 2bhq h VAL 437 Ca 0.09 -1.18 0.02 0.00 0.82 0.00 0.00 66.70 66.45 2bhq h VAL 437 Cb 0.02 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 2bhq h VAL 437 CO -0.02 0.42 0.42 0.00 0.02 0.00 0.00 177.57 178.41 2bhq h ALA 438 N 0.95 0.84 0.00 1.67 0.00 -0.57 -2.60 119.26 119.54 2bhq h ALA 438 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2bhq h ALA 438 Cb 0.60 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2bhq h ALA 438 CO 0.04 0.20 0.00 -0.91 0.00 0.00 0.00 179.25 178.58 2bhq h ASN 439 N 0.83 0.00 -0.53 0.00 2.35 -0.92 -3.40 115.58 113.92 2bhq h ASN 439 Ca 0.25 0.00 -0.72 0.00 -0.55 0.00 0.00 56.30 55.28 2bhq h ASN 439 Cb -0.04 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.25 2bhq h ASN 439 CO -0.08 0.00 2.78 -0.67 -1.65 0.00 0.00 177.43 177.81 2bhq n ASP 440 N -3.04 4.87 -3.91 5.81 2.03 -0.71 -4.82 116.55 116.78 2bhq n ASP 440 Ca 0.03 -2.93 -0.10 0.00 0.52 0.00 0.00 54.79 52.32 2bhq n ASP 440 Cb 0.46 -1.57 -0.06 0.00 -0.72 0.00 0.00 41.12 39.23 2bhq n ASP 440 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2bhq s THR 441 N 1.94 0.05 -1.22 5.18 -4.23 -1.26 -4.97 115.64 111.12 2bhq s THR 441 Ca 0.46 -1.24 0.24 0.00 -1.18 0.00 0.00 61.69 59.97 2bhq s THR 441 Cb 0.13 -1.82 0.31 0.00 1.34 0.00 0.00 72.50 72.46 2bhq s THR 441 CO -0.06 -0.22 1.78 -2.65 -0.54 0.00 0.00 174.62 172.94 2bhq n PRO 442 N -0.26 0.18 -3.14 3.99 -0.02 -1.26 -4.87 135.00 129.61 2bhq n PRO 442 Ca -0.07 0.08 -0.21 0.00 -2.02 0.00 0.00 63.50 61.28 2bhq n PRO 442 Cb 0.63 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.67 2bhq n PRO 442 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2bhq n TYR 443 N -1.39 -2.06 -2.66 6.00 4.02 -1.26 -0.95 117.16 118.86 2bhq n TYR 443 Ca 0.09 -2.21 -0.04 0.00 -0.01 0.00 0.00 57.90 55.73 2bhq n TYR 443 Cb 0.23 -0.56 0.02 0.00 -0.02 0.00 0.00 39.34 39.02 2bhq n TYR 443 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bhq n GLY 444 N -2.23 -0.67 0.00 2.72 0.00 -1.18 -4.77 105.19 99.07 2bhq n GLY 444 Ca 0.15 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2bhq n GLY 444 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2bhq n LEU 445 N -0.31 0.39 -4.51 0.99 7.94 -1.26 -0.70 117.00 119.54 2bhq n LEU 445 Ca -0.21 0.11 -0.25 0.00 -1.11 0.00 0.00 56.01 54.56 2bhq n LEU 445 Cb 0.69 -0.31 -0.10 0.00 0.53 0.00 0.00 43.42 44.22 2bhq n LEU 445 CO -0.11 -0.31 -0.42 0.42 -1.11 0.00 0.00 177.39 175.87 2bhq s THR 446 N -0.62 2.26 0.03 1.96 -4.23 -1.26 -0.88 115.64 112.90 2bhq s THR 446 Ca 0.00 -2.26 -0.28 0.00 -1.18 0.00 0.00 61.69 57.97 2bhq s THR 446 Cb 0.00 -2.51 0.09 0.00 1.34 0.00 0.00 72.50 71.43 2bhq s THR 446 CO 0.00 -0.28 0.87 -0.83 -0.54 0.00 0.00 174.62 173.84 2bhq s GLY 447 N -3.56 -0.45 0.09 3.99 0.00 -0.64 -4.03 107.32 102.73 2bhq s GLY 447 Ca 0.31 0.86 -0.10 0.00 0.00 0.00 0.00 44.72 45.79 2bhq s GLY 447 CO 0.15 0.28 0.22 -0.32 0.00 0.00 0.00 173.10 173.44 2bhq s GLY 448 N -2.56 0.03 -0.03 0.20 0.00 -0.36 -1.45 107.32 103.15 2bhq s GLY 448 Ca 0.06 -0.50 -0.01 0.00 0.00 0.00 0.00 44.72 44.27 2bhq s GLY 448 CO -0.08 -0.70 0.04 0.14 0.00 0.00 0.00 173.10 172.50 2bhq s VAL 449 N -3.76 -0.07 -0.27 1.40 1.01 -0.53 -0.55 120.40 117.62 2bhq s VAL 449 Ca 0.04 0.28 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 2bhq s VAL 449 Cb 0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 36.38 36.31 2bhq s VAL 449 CO -0.11 0.12 0.05 -0.31 0.00 0.00 0.00 175.10 174.85 2bhq s TYR 450 N 1.39 3.09 -0.13 5.22 1.51 0.10 -0.77 117.35 127.77 2bhq s TYR 450 Ca -0.05 -0.85 -0.30 0.00 -1.01 0.00 0.00 57.07 54.86 2bhq s TYR 450 Cb -0.13 -2.22 0.12 0.00 -0.11 0.00 0.00 41.96 39.63 2bhq s TYR 450 CO -0.03 -0.52 0.97 0.45 -1.11 0.00 0.00 175.55 175.31 2bhq s SER 451 N 1.52 -0.37 0.00 2.29 0.15 -1.26 -2.53 113.70 113.50 2bhq s SER 451 Ca 0.04 0.32 0.17 0.00 0.70 0.00 0.00 55.95 57.18 2bhq s SER 451 Cb -0.16 0.32 -0.18 0.00 -1.71 0.00 0.00 66.02 64.29 2bhq s SER 451 CO 0.01 -0.40 0.72 0.54 1.20 0.00 0.00 173.24 175.31 2bhq n ARG 452 N 0.51 1.46 -2.56 5.44 1.74 -1.25 -4.84 116.66 117.16 2bhq n ARG 452 Ca -0.10 -0.01 -0.43 0.00 -0.77 0.00 0.00 57.85 56.54 2bhq n ARG 452 Cb 0.59 -1.29 -0.02 0.00 -1.02 0.00 0.00 32.46 30.71 2bhq n ARG 452 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2bhq s LYS 453 N -2.58 3.80 0.26 5.56 2.20 -1.26 -4.91 119.74 122.82 2bhq s LYS 453 Ca 0.06 0.80 -0.02 0.00 -0.36 0.00 0.00 55.97 56.46 2bhq s LYS 453 Cb 0.13 -3.88 0.49 0.00 -1.51 0.00 0.00 37.83 33.06 2bhq s LYS 453 CO 0.69 -1.27 1.78 0.00 -0.36 0.00 0.00 175.35 176.18 2bhq h ARG 454 N 9.17 0.66 -0.19 4.03 2.47 -2.00 -1.28 114.38 127.25 2bhq h ARG 454 Ca -0.23 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.41 2bhq h ARG 454 Cb 1.07 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 29.23 2bhq h ARG 454 CO 1.09 0.44 -0.03 0.93 0.56 0.00 0.00 179.97 182.96 2bhq h GLU 455 N 0.68 0.28 -0.08 0.04 3.07 -1.99 -0.80 114.58 115.78 2bhq h GLU 455 Ca 0.44 -0.05 -0.17 0.00 -0.50 0.00 0.00 59.36 59.09 2bhq h GLU 455 Cb 0.57 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 28.44 2bhq h GLU 455 CO -0.33 0.33 -0.62 0.45 -1.40 0.00 0.00 179.01 177.45 2bhq h HIS 456 N 0.27 0.79 -0.24 4.33 3.86 -1.66 -2.02 115.15 120.49 2bhq h HIS 456 Ca 0.06 -0.37 -0.01 0.00 -1.16 0.00 0.00 60.37 58.89 2bhq h HIS 456 Cb 0.24 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 2bhq h HIS 456 CO 0.00 1.17 0.11 -0.07 0.86 0.00 0.00 177.93 180.00 2bhq h LEU 457 N 0.18 0.32 -1.24 2.43 3.38 -1.08 -0.69 115.31 118.60 2bhq h LEU 457 Ca -0.05 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 2bhq h LEU 457 Cb 1.28 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2bhq h LEU 457 CO 0.13 0.37 -0.35 -0.33 0.09 0.00 0.00 178.44 178.34 2bhq h GLU 458 N 0.24 0.00 -0.17 1.13 4.39 -1.23 -0.13 114.58 118.82 2bhq h GLU 458 Ca 0.08 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 2bhq h GLU 458 Cb 0.14 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2bhq h GLU 458 CO -0.01 0.35 -0.01 2.35 -1.16 0.00 0.00 179.01 180.53 2bhq h TRP 459 N 0.00 0.33 -0.52 4.33 7.01 -1.06 -2.72 115.95 123.32 2bhq h TRP 459 Ca -0.00 -0.06 -0.04 0.00 2.11 0.00 0.00 58.89 60.90 2bhq h TRP 459 Cb 0.70 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.65 2bhq h TRP 459 CO 0.00 0.53 0.16 0.00 -2.79 0.00 0.00 178.44 176.35 2bhq h ALA 460 N 0.75 1.31 -0.60 2.65 0.00 -0.65 0.14 119.26 122.87 2bhq h ALA 460 Ca 0.05 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.84 2bhq h ALA 460 Cb 0.41 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2bhq h ALA 460 CO 0.01 0.50 0.40 -0.09 0.00 0.00 0.00 179.25 180.06 2bhq h ARG 461 N 0.75 0.58 0.01 0.00 2.43 -0.79 -0.03 114.38 117.33 2bhq h ARG 461 Ca 0.17 -0.04 -0.30 0.00 -0.81 0.00 0.00 59.98 59.01 2bhq h ARG 461 Cb 0.22 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.59 2bhq h ARG 461 CO -0.01 0.39 -1.75 0.54 -1.51 0.00 0.00 179.97 177.63 2bhq n ARG 462 N -4.47 0.64 0.00 0.20 1.74 -0.75 -4.70 116.66 109.31 2bhq n ARG 462 Ca 0.08 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 2bhq n ARG 462 Cb 0.22 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 2bhq n ARG 462 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2bhq n GLU 463 N -3.07 6.10 -2.64 5.56 -0.58 0.41 -4.90 120.64 121.52 2bhq n GLU 463 Ca -0.18 -0.04 -0.42 0.00 -0.42 0.00 0.00 57.16 56.10 2bhq n GLU 463 Cb 1.05 -0.53 -0.03 0.00 -0.57 0.00 0.00 31.44 31.36 2bhq n GLU 463 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2bhq s PHE 464 N -0.88 2.43 -1.20 -0.32 2.19 -0.05 -4.92 117.98 115.23 2bhq s PHE 464 Ca 0.00 -0.31 -0.19 0.00 0.33 0.00 0.00 56.93 56.76 2bhq s PHE 464 Cb 0.00 -4.55 -0.02 0.00 -1.31 0.00 0.00 43.02 37.14 2bhq s PHE 464 CO 0.00 -1.94 1.94 1.58 1.83 0.00 0.00 175.22 178.63 2bhq n HIS 465 N 8.82 3.35 -4.08 10.12 -0.00 -1.26 -4.89 115.22 127.27 2bhq n HIS 465 Ca 0.06 -2.33 -0.12 0.00 -0.00 0.00 0.00 57.72 55.32 2bhq n HIS 465 Cb 0.48 -2.42 -0.11 0.00 -0.00 0.00 0.00 29.99 27.94 2bhq n HIS 465 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2bhq s VAL 466 N 5.75 0.54 0.20 3.57 -7.23 -1.26 -4.63 120.40 117.33 2bhq s VAL 466 Ca 0.56 -1.29 0.16 0.00 -1.81 0.00 0.00 61.98 59.60 2bhq s VAL 466 Cb 0.08 -0.86 0.08 0.00 0.56 0.00 0.00 36.38 36.23 2bhq s VAL 466 CO 0.06 -0.52 1.68 1.23 -0.31 0.00 0.00 175.10 177.24 2bhq h GLY 467 N 4.12 0.00 -7.35 2.32 0.00 -0.78 -3.41 103.07 97.96 2bhq h GLY 467 Ca -0.35 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.41 2bhq h GLY 467 CO 0.47 0.00 -0.77 -1.31 0.00 0.00 0.00 176.54 174.93 2bhq s ASN 468 N -6.58 3.62 -0.07 0.19 -0.87 -0.06 -4.79 114.94 106.38 2bhq s ASN 468 Ca -0.00 -1.24 0.02 0.00 -1.57 0.00 0.00 52.86 50.06 2bhq s ASN 468 Cb 0.11 -0.89 -0.03 0.00 -0.02 0.00 0.00 41.25 40.43 2bhq s ASN 468 CO 0.71 -0.33 -0.11 -0.22 -2.57 0.00 0.00 177.10 174.58 2bhq s LEU 469 N 1.61 2.88 -0.03 0.60 2.96 -1.26 -1.61 118.68 123.83 2bhq s LEU 469 Ca 0.02 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.79 2bhq s LEU 469 Cb -0.18 -1.61 0.00 0.00 0.50 0.00 0.00 46.19 44.90 2bhq s LEU 469 CO -0.13 0.32 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.80 2bhq s TYR 470 N -0.54 1.05 -0.16 5.38 1.51 -0.53 -4.98 117.35 119.08 2bhq s TYR 470 Ca 0.08 -0.26 -0.03 0.00 -1.01 0.00 0.00 57.07 55.85 2bhq s TYR 470 Cb -0.12 -0.73 -0.02 0.00 -0.11 0.00 0.00 41.96 40.98 2bhq s TYR 470 CO 0.02 -0.10 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.23 2bhq s PHE 471 N 0.14 2.96 -1.46 2.71 0.08 -1.26 -1.46 117.98 119.69 2bhq s PHE 471 Ca -0.03 -0.50 -0.11 0.00 0.12 0.00 0.00 56.93 56.41 2bhq s PHE 471 Cb -0.09 -1.96 0.05 0.00 -0.57 0.00 0.00 43.02 40.46 2bhq s PHE 471 CO 0.01 -0.17 1.05 0.09 -0.10 0.00 0.00 175.22 176.10 2bhq n ASN 472 N 3.77 -5.25 -3.73 1.36 3.02 0.05 -4.97 115.26 109.51 2bhq n ASN 472 Ca -0.18 -0.69 -0.05 0.00 -0.03 0.00 0.00 54.58 53.64 2bhq n ASN 472 Cb 0.52 -4.34 -0.02 0.00 -0.61 0.00 0.00 39.78 35.34 2bhq n ASN 472 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bhq s ARG 473 N -6.47 1.22 0.75 3.52 1.70 -1.26 -5.04 118.95 113.36 2bhq s ARG 473 Ca 0.61 -0.65 -0.15 0.00 -0.47 0.00 0.00 55.73 55.07 2bhq s ARG 473 Cb -0.29 0.43 0.04 0.00 -0.57 0.00 0.00 34.95 34.56 2bhq s ARG 473 CO 0.79 -0.56 1.17 0.36 -1.08 0.00 0.00 175.30 175.99 2bhq n LYS 474 N -0.44 0.50 -0.22 3.89 2.85 -1.26 -4.86 118.16 118.61 2bhq n LYS 474 Ca -0.06 0.24 0.12 0.00 -1.05 0.00 0.00 58.31 57.55 2bhq n LYS 474 Cb 0.61 -2.41 0.23 0.00 -0.65 0.00 0.00 35.03 32.80 2bhq n LYS 474 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 2bhq n ILE 475 N -2.76 0.61 -3.74 0.58 -5.35 -1.26 -4.88 119.36 102.55 2bhq n ILE 475 Ca 0.14 -0.80 -0.23 0.00 -0.27 0.00 0.00 62.75 61.59 2bhq n ILE 475 Cb 0.50 0.89 -0.03 0.00 -1.74 0.00 0.00 39.64 39.25 2bhq n ILE 475 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2bhq s THR 476 N -1.36 2.32 -0.21 7.28 -4.23 -1.26 -4.80 115.64 113.38 2bhq s THR 476 Ca 0.40 -1.44 -0.00 0.00 -1.18 0.00 0.00 61.69 59.46 2bhq s THR 476 Cb 0.23 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 71.30 2bhq s THR 476 CO 0.31 0.00 0.02 0.61 -0.54 0.00 0.00 174.62 175.02 2bhq n GLY 477 N -1.56 0.34 3.64 3.99 0.00 -1.26 -4.98 105.19 105.36 2bhq n GLY 477 Ca 0.02 -0.75 -0.47 0.00 0.00 0.00 0.00 46.02 44.82 2bhq n GLY 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bhq n ALA 478 N -1.37 0.52 -2.66 4.61 0.00 -1.26 -4.93 120.51 115.42 2bhq n ALA 478 Ca -0.03 0.45 -0.37 0.00 0.00 0.00 0.00 53.44 53.49 2bhq n ALA 478 Cb 0.52 -2.22 -0.06 0.00 0.00 0.00 0.00 19.45 17.69 2bhq n ALA 478 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bhq s LEU 479 N 0.50 4.36 0.25 0.00 1.43 -1.26 -4.96 118.68 118.99 2bhq s LEU 479 Ca 0.75 0.72 -0.31 0.00 -1.03 0.00 0.00 54.13 54.26 2bhq s LEU 479 Cb -0.74 -2.46 -0.13 0.00 0.03 0.00 0.00 46.19 42.88 2bhq s LEU 479 CO 0.46 0.22 1.37 0.52 0.23 0.00 0.00 176.35 179.14 2bhq n VAL 480 N 2.69 1.11 0.00 -1.59 0.31 -1.26 -1.23 118.33 118.36 2bhq n VAL 480 Ca -0.13 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 2bhq n VAL 480 Cb 0.52 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 2bhq n VAL 480 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bhq n GLY 481 N 1.94 1.60 0.09 2.92 0.00 -0.11 -4.67 105.19 106.96 2bhq n GLY 481 Ca 0.11 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 2bhq n GLY 481 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2bhq h VAL 482 N 0.00 1.68 -3.09 1.61 2.07 -1.67 -3.43 116.25 113.42 2bhq h VAL 482 Ca 0.00 -2.35 -0.62 0.00 0.82 0.00 0.00 66.70 64.55 2bhq h VAL 482 Cb 0.00 3.25 -0.40 0.00 -1.52 0.00 0.00 31.29 32.62 2bhq h VAL 482 CO 0.00 0.63 -0.70 -1.10 0.02 0.00 0.00 177.57 176.42 2bhq s GLN 483 N -2.42 1.53 -0.07 1.57 -0.21 -0.37 -4.99 119.66 114.71 2bhq s GLN 483 Ca -0.17 -2.25 -0.39 0.00 0.02 0.00 0.00 55.36 52.58 2bhq s GLN 483 Cb -0.01 -2.65 -0.17 0.00 1.00 0.00 0.00 33.01 31.18 2bhq s GLN 483 CO 0.74 -1.16 1.44 -2.30 -2.12 0.00 0.00 175.29 171.89 2bhq n PRO 484 N 3.33 0.93 -3.97 2.91 -0.02 -1.26 -4.50 135.00 132.42 2bhq n PRO 484 Ca 0.09 0.34 -0.35 0.00 -2.02 0.00 0.00 63.50 61.55 2bhq n PRO 484 Cb 0.34 -1.96 -0.12 0.00 -0.02 0.00 0.00 33.50 31.74 2bhq n PRO 484 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2bhq s PHE 485 N 1.47 3.10 0.00 6.00 5.36 -0.71 -4.85 117.98 128.35 2bhq s PHE 485 Ca 0.91 -0.31 0.00 0.00 -0.96 0.00 0.00 56.93 56.56 2bhq s PHE 485 Cb -1.06 -2.13 0.00 0.00 -0.34 0.00 0.00 43.02 39.48 2bhq s PHE 485 CO 0.56 -0.18 0.00 0.41 -1.46 0.00 0.00 175.22 174.55 2bhq n GLY 486 N 4.29 2.76 0.00 13.12 0.00 -1.26 -0.99 105.19 123.11 2bhq n GLY 486 Ca -0.17 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2bhq n GLY 486 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bhq n GLY 487 N -0.72 5.19 3.71 -0.02 0.00 -1.26 -4.18 105.19 107.90 2bhq n GLY 487 Ca 0.00 -2.12 -0.28 0.00 0.00 0.00 0.00 46.02 43.62 2bhq n GLY 487 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bhq s PHE 488 N 0.25 2.31 0.00 1.61 2.99 0.12 -3.18 117.98 122.08 2bhq s PHE 488 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 56.93 56.20 2bhq s PHE 488 Cb 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 43.02 41.23 2bhq s PHE 488 CO 0.00 0.26 0.00 1.63 -0.00 0.00 0.00 175.22 177.11 2bhq n LYS 489 N -1.17 0.00 0.00 0.44 5.02 -1.26 -1.65 118.16 119.54 2bhq n LYS 489 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 2bhq n LYS 489 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.67 2bhq n LYS 489 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2bhq n LEU 490 N 0.00 0.34 -0.29 -0.35 4.77 -0.13 -2.55 117.00 118.80 2bhq n LEU 490 Ca 0.00 -0.17 0.14 0.00 -0.03 0.00 0.00 56.01 55.95 2bhq n LEU 490 Cb 0.00 -0.17 0.63 0.00 -2.33 0.00 0.00 43.42 41.55 2bhq n LEU 490 CO 0.00 0.09 0.91 -1.20 -1.33 0.00 0.00 177.39 175.86 2bhq n SER 491 N -0.29 0.93 0.00 -1.43 7.64 -0.66 -4.58 113.62 115.23 2bhq n SER 491 Ca 0.00 -1.19 0.00 0.00 1.01 0.00 0.00 58.87 58.69 2bhq n SER 491 Cb 0.09 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2bhq n SER 491 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bhq n GLY 492 N 1.16 0.74 0.93 0.23 0.00 -1.06 -1.41 105.19 105.78 2bhq n GLY 492 Ca 0.19 -2.06 0.09 0.00 0.00 0.00 0.00 46.02 44.24 2bhq n GLY 492 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bhq n THR 493 N 5.38 0.63 -2.92 2.61 -2.24 -0.32 -4.47 114.28 112.95 2bhq n THR 493 Ca 0.00 -0.66 -0.17 0.00 -2.27 0.00 0.00 64.05 60.94 2bhq n THR 493 Cb 0.00 0.40 0.03 0.00 -2.10 0.00 0.00 70.33 68.66 2bhq n THR 493 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2bhq n ASN 494 N 0.98 -5.15 -4.56 3.42 4.05 -1.19 -4.93 115.26 107.88 2bhq n ASN 494 Ca 0.17 -0.25 -0.41 0.00 0.45 0.00 0.00 54.58 54.54 2bhq n ASN 494 Cb 0.44 -3.96 -0.03 0.00 1.23 0.00 0.00 39.78 37.46 2bhq n ASN 494 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2bhq s ALA 495 N -3.07 2.83 -0.56 5.20 0.00 -1.26 -4.90 121.76 120.01 2bhq s ALA 495 Ca 0.27 -1.22 -0.27 0.00 0.00 0.00 0.00 51.96 50.74 2bhq s ALA 495 Cb -0.12 -4.18 0.00 0.00 0.00 0.00 0.00 23.12 18.82 2bhq s ALA 495 CO 0.33 -3.09 1.59 0.15 0.00 0.00 0.00 175.76 174.74 2bhq s LYS 496 N 5.47 3.09 0.59 0.00 -0.14 -1.26 -4.56 119.74 122.93 2bhq s LYS 496 Ca 0.37 0.56 -0.16 0.00 -1.36 0.00 0.00 55.97 55.38 2bhq s LYS 496 Cb -0.08 -4.22 -0.04 0.00 -1.68 0.00 0.00 37.83 31.81 2bhq s LYS 496 CO 0.18 -2.19 1.06 0.95 -0.76 0.00 0.00 175.35 174.59 2bhq s THR 497 N 7.05 3.77 -1.23 2.17 -4.23 -0.16 -3.49 115.64 119.52 2bhq s THR 497 Ca 0.59 0.87 0.00 0.00 -1.18 0.00 0.00 61.69 61.96 2bhq s THR 497 Cb -0.12 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.34 2bhq s THR 497 CO 0.24 -0.47 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 2bhq n GLY 498 N -0.88 -0.08 3.02 3.99 0.00 -1.26 -1.74 105.19 108.24 2bhq n GLY 498 Ca 0.09 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 2bhq n GLY 498 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bhq s ALA 499 N -2.69 0.23 0.28 4.61 0.00 -1.23 -0.94 121.76 122.03 2bhq s ALA 499 Ca 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.20 2bhq s ALA 499 Cb 0.00 0.19 0.58 0.00 0.00 0.00 0.00 23.12 23.89 2bhq s ALA 499 CO 0.00 -0.23 1.82 -0.07 0.00 0.00 0.00 175.76 177.28 2bhq h LEU 500 N 4.17 0.86 -2.42 0.00 3.38 -1.94 -1.72 115.31 117.64 2bhq h LEU 500 Ca -0.33 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2bhq h LEU 500 Cb 1.19 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 2bhq h LEU 500 CO 0.49 0.42 -0.01 0.44 0.09 0.00 0.00 178.44 179.87 2bhq h ASP 501 N 0.91 0.00 -0.56 -0.43 5.19 -1.97 -3.04 116.42 116.53 2bhq h ASP 501 Ca 0.51 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.98 2bhq h ASP 501 Cb 0.58 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.04 2bhq h ASP 501 CO -0.30 0.01 0.28 0.22 -3.12 0.00 0.00 179.24 176.33 2bhq h TYR 502 N 0.00 0.51 0.00 4.55 3.20 -1.40 -2.61 116.97 121.21 2bhq h TYR 502 Ca -0.00 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 2bhq h TYR 502 Cb 0.02 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 2bhq h TYR 502 CO 0.00 0.23 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.39 2bhq h LEU 503 N 0.53 0.00 -2.22 2.82 3.38 -1.71 -2.51 115.31 115.60 2bhq h LEU 503 Ca 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 2bhq h LEU 503 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2bhq h LEU 503 CO -0.19 0.29 -0.00 -0.09 0.09 0.00 0.00 178.44 178.53 2bhq h ARG 504 N 0.00 0.00 0.00 1.13 9.65 -1.61 -1.30 114.38 122.25 2bhq h ARG 504 Ca -0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2bhq h ARG 504 Cb 0.56 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.14 2bhq h ARG 504 CO 0.04 0.00 -0.02 -0.07 2.80 0.00 0.00 179.97 182.71 2bhq h LEU 505 N 0.00 0.00 -3.42 3.80 3.38 -1.51 -2.79 115.31 114.76 2bhq h LEU 505 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2bhq h LEU 505 Cb 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.66 2bhq h LEU 505 CO 0.00 0.02 0.05 0.49 0.09 0.00 0.00 178.44 179.10 2bhq n PHE 506 N -3.21 1.37 -4.13 1.13 3.01 -0.49 -4.97 117.46 110.17 2bhq n PHE 506 Ca -0.01 -1.37 -0.12 0.00 1.01 0.00 0.00 57.45 56.96 2bhq n PHE 506 Cb 0.19 -0.50 -0.11 0.00 -0.01 0.00 0.00 39.48 39.05 2bhq n PHE 506 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2bhq s LEU 507 N -3.10 2.40 0.17 4.37 1.43 -1.06 -3.37 118.68 119.52 2bhq s LEU 507 Ca 0.46 -0.81 0.06 0.00 -1.03 0.00 0.00 54.13 52.81 2bhq s LEU 507 Cb 0.40 -0.13 -0.04 0.00 0.03 0.00 0.00 46.19 46.44 2bhq s LEU 507 CO 0.05 -0.35 -0.12 -1.83 0.23 0.00 0.00 176.35 174.33 2bhq s GLU 508 N -2.88 1.17 -0.03 1.70 -1.05 -0.19 -4.93 118.70 112.49 2bhq s GLU 508 Ca 0.03 -1.48 0.02 0.00 -0.15 0.00 0.00 54.97 53.38 2bhq s GLU 508 Cb -0.01 -0.86 -0.03 0.00 -0.44 0.00 0.00 34.13 32.79 2bhq s GLU 508 CO -0.02 0.13 -0.06 1.41 0.95 0.00 0.00 175.26 177.67 2bhq s MET 509 N -3.58 2.67 -0.00 -4.83 -2.45 -1.26 -1.09 119.30 108.76 2bhq s MET 509 Ca 0.18 -0.63 0.08 0.00 -1.25 0.00 0.00 55.69 54.07 2bhq s MET 509 Cb 0.00 -2.56 -0.02 0.00 1.25 0.00 0.00 34.83 33.50 2bhq s MET 509 CO 0.03 0.64 -0.24 0.21 1.05 0.00 0.00 175.02 176.71 2bhq s LYS 510 N -1.14 1.84 -0.16 4.11 2.20 -0.23 -4.98 119.74 121.37 2bhq s LYS 510 Ca 0.15 -0.89 0.01 0.00 -0.36 0.00 0.00 55.97 54.88 2bhq s LYS 510 Cb -0.11 -1.83 0.02 0.00 -1.51 0.00 0.00 37.83 34.40 2bhq s LYS 510 CO 0.05 0.49 -0.18 0.00 -0.36 0.00 0.00 175.35 175.35 2bhq s ALA 511 N -0.61 2.16 -0.13 3.13 0.00 -1.26 -1.15 121.76 123.90 2bhq s ALA 511 Ca 0.09 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 50.98 2bhq s ALA 511 Cb -0.09 -1.11 0.01 0.00 0.00 0.00 0.00 23.12 21.93 2bhq s ALA 511 CO -0.00 -0.31 -0.21 0.08 0.00 0.00 0.00 175.76 175.33 2bhq s VAL 512 N 1.27 1.93 -0.07 0.00 1.01 0.35 -4.98 120.40 119.91 2bhq s VAL 512 Ca 0.03 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.14 2bhq s VAL 512 Cb -0.13 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 2bhq s VAL 512 CO -0.10 0.53 -0.18 0.00 0.00 0.00 0.00 175.10 175.34 2bhq s ALA 513 N 0.85 2.48 -0.14 5.51 0.00 -1.26 -0.94 121.76 128.27 2bhq s ALA 513 Ca -0.07 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.92 2bhq s ALA 513 Cb -0.15 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.06 2bhq s ALA 513 CO -0.02 0.43 -0.15 -2.00 0.00 0.00 0.00 175.76 174.02 2bhq s GLU 514 N -0.27 2.39 -0.30 0.00 2.12 -0.14 -4.97 118.70 117.53 2bhq s GLU 514 Ca 0.01 -0.60 -0.18 0.00 0.36 0.00 0.00 54.97 54.56 2bhq s GLU 514 Cb -0.13 -2.12 -0.02 0.00 0.26 0.00 0.00 34.13 32.12 2bhq s GLU 514 CO 0.03 -0.18 0.52 0.50 -0.54 0.00 0.00 175.26 175.59 2bhq s ARG 515 N 1.31 3.89 0.00 4.30 6.06 -1.26 -1.37 118.95 131.88 2bhq s ARG 515 Ca 0.02 0.14 0.25 0.00 -2.50 0.00 0.00 55.73 53.64 2bhq s ARG 515 Cb -0.13 -3.72 1.51 0.00 0.06 0.00 0.00 34.95 32.67 2bhq s ARG 515 CO -0.08 -0.48 1.87 1.19 -2.50 0.00 0.00 175.30 175.30