#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qyh s ARG 3 N 0.00 3.74 0.21 1.61 1.81 -1.26 -5.10 118.95 119.96 2qyh s ARG 3 Ca 0.00 0.34 0.09 0.00 -1.72 0.00 0.00 55.73 54.44 2qyh s ARG 3 Cb 0.00 -2.47 -0.04 0.00 -0.45 0.00 0.00 34.95 31.99 2qyh s ARG 3 CO 0.00 0.04 -0.08 0.15 -0.68 0.00 0.00 175.30 174.74 2qyh s LYS 4 N -3.73 2.10 -0.04 3.54 1.02 -1.26 -4.70 119.74 116.67 2qyh s LYS 4 Ca 0.49 -1.33 -0.08 0.00 0.02 0.00 0.00 55.97 55.07 2qyh s LYS 4 Cb -0.10 -2.14 0.01 0.00 -0.52 0.00 0.00 37.83 35.08 2qyh s LYS 4 CO 0.30 0.41 0.20 -1.50 -0.92 0.00 0.00 175.35 173.84 2qyh s ILE 5 N -1.91 0.04 -0.08 2.17 2.07 -0.88 -1.31 121.20 121.30 2qyh s ILE 5 Ca 0.27 -0.32 0.02 0.00 -1.41 0.00 0.00 60.65 59.21 2qyh s ILE 5 Cb -0.08 -0.39 0.01 0.00 0.13 0.00 0.00 42.46 42.13 2qyh s ILE 5 CO 0.16 -0.18 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.18 2qyh s VAL 6 N -0.63 1.40 -0.06 4.00 1.01 -0.13 -0.97 120.40 125.01 2qyh s VAL 6 Ca -0.07 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 2qyh s VAL 6 Cb -0.04 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2qyh s VAL 6 CO 0.01 0.41 0.07 -0.36 0.00 0.00 0.00 175.10 175.23 2qyh s PHE 7 N 0.67 3.32 -0.02 5.22 0.08 -0.06 -1.35 117.98 125.83 2qyh s PHE 7 Ca -0.14 0.29 0.04 0.00 0.12 0.00 0.00 56.93 57.23 2qyh s PHE 7 Cb -0.16 -1.81 -0.00 0.00 -0.57 0.00 0.00 43.02 40.48 2qyh s PHE 7 CO 0.04 0.57 -0.13 -0.06 -0.10 0.00 0.00 175.22 175.54 2qyh s PHE 8 N -1.04 1.21 0.54 0.36 0.08 0.11 -1.19 117.98 118.06 2qyh s PHE 8 Ca 0.17 -0.28 -0.04 0.00 0.12 0.00 0.00 56.93 56.91 2qyh s PHE 8 Cb -0.12 -0.81 0.00 0.00 -0.57 0.00 0.00 43.02 41.53 2qyh s PHE 8 CO 0.07 -0.07 0.82 0.34 -0.10 0.00 0.00 175.22 176.28 2qyh s ASP 9 N -0.10 5.67 0.00 1.36 2.15 -1.10 -1.01 116.67 123.64 2qyh s ASP 9 Ca 0.01 0.55 0.00 0.00 0.43 0.00 0.00 52.55 53.54 2qyh s ASP 9 Cb -0.07 -1.63 0.00 0.00 -0.30 0.00 0.00 42.92 40.92 2qyh s ASP 9 CO 0.00 -0.94 0.00 -0.38 -0.17 0.00 0.00 175.17 173.69 2qyh n ILE 10 N -2.40 0.00 -2.08 4.11 5.41 -1.26 -3.35 119.36 119.79 2qyh n ILE 10 Ca 0.03 0.18 -0.42 0.00 1.00 0.00 0.00 62.75 63.55 2qyh n ILE 10 Cb 0.58 -0.71 -0.03 0.00 -0.71 0.00 0.00 39.64 38.77 2qyh n ILE 10 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2qyh s ASP 11 N -1.82 6.74 0.00 4.38 1.01 -1.26 -0.35 116.67 125.36 2qyh s ASP 11 Ca 0.00 2.44 0.00 0.00 0.71 0.00 0.00 52.55 55.70 2qyh s ASP 11 Cb 0.00 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.34 2qyh s ASP 11 CO 0.00 -0.71 0.00 0.61 0.21 0.00 0.00 175.17 175.28 2qyh n GLY 12 N 3.57 2.84 0.63 0.21 0.00 0.84 -4.77 105.19 108.51 2qyh n GLY 12 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 2qyh n GLY 12 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qyh n THR 13 N -2.00 1.25 -0.02 2.61 -1.04 -0.93 -4.57 114.28 109.57 2qyh n THR 13 Ca 0.00 0.22 -0.17 0.00 -2.04 0.00 0.00 64.05 62.06 2qyh n THR 13 Cb 0.00 -1.88 -0.14 0.00 -1.82 0.00 0.00 70.33 66.49 2qyh n THR 13 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2qyh n LEU 14 N -3.86 2.02 -4.49 -4.42 4.77 0.53 -4.82 117.00 106.72 2qyh n LEU 14 Ca -0.09 0.22 -0.33 0.00 -0.03 0.00 0.00 56.01 55.78 2qyh n LEU 14 Cb 0.29 -0.63 -0.12 0.00 -2.33 0.00 0.00 43.42 40.63 2qyh n LEU 14 CO 0.08 0.71 -0.40 -0.76 -1.33 0.00 0.00 177.39 175.69 2qyh s LEU 15 N -6.62 3.03 0.00 2.23 1.43 -0.74 -4.17 118.68 113.83 2qyh s LEU 15 Ca -0.18 -0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 52.69 2qyh s LEU 15 Cb 0.07 -1.68 0.11 0.00 0.03 0.00 0.00 46.19 44.72 2qyh s LEU 15 CO 0.77 0.26 0.47 -0.90 0.23 0.00 0.00 176.35 177.18 2qyh n ASP 16 N 2.94 -0.91 0.19 2.29 5.68 -0.15 -0.11 116.55 126.48 2qyh n ASP 16 Ca -0.18 -0.92 0.17 0.00 -0.50 0.00 0.00 54.79 53.37 2qyh n ASP 16 Cb 0.53 -0.40 0.81 0.00 -1.14 0.00 0.00 41.12 40.91 2qyh n ASP 16 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2qyh h GLU 17 N 0.00 0.00 -0.60 0.11 4.81 -1.95 0.98 114.58 117.94 2qyh h GLU 17 Ca -0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2qyh h GLU 17 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2qyh h GLU 17 CO 0.11 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.43 2qyh n GLN 18 N -3.86 2.72 -1.89 1.92 3.00 -1.26 -4.90 117.38 113.12 2qyh n GLN 18 Ca 0.02 -2.15 -0.12 0.00 -0.01 0.00 0.00 57.00 54.74 2qyh n GLN 18 Cb 0.34 -1.60 -0.02 0.00 0.00 0.00 0.00 30.24 28.96 2qyh n GLN 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2qyh n LYS 19 N 1.01 -0.94 -3.95 -1.09 4.01 0.34 -5.00 118.16 112.54 2qyh n LYS 19 Ca 0.20 0.74 -0.34 0.00 -0.51 0.00 0.00 58.31 58.40 2qyh n LYS 19 Cb 0.60 -4.86 -0.05 0.00 -0.51 0.00 0.00 35.03 30.20 2qyh n LYS 19 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 2qyh s GLN 20 N -4.00 3.35 -0.33 1.97 -1.52 -1.26 -4.78 119.66 113.08 2qyh s GLN 20 Ca 0.00 -0.34 -0.17 0.00 -1.95 0.00 0.00 55.36 52.91 2qyh s GLN 20 Cb 0.00 -3.05 -0.01 0.00 -0.22 0.00 0.00 33.01 29.73 2qyh s GLN 20 CO 0.00 0.68 0.44 -1.17 -0.25 0.00 0.00 175.29 175.00 2qyh s LEU 21 N -1.77 4.34 0.33 2.90 2.96 -1.26 -0.98 118.68 125.20 2qyh s LEU 21 Ca 0.25 -0.04 -0.29 0.00 -0.22 0.00 0.00 54.13 53.82 2qyh s LEU 21 Cb -0.12 -2.48 -0.10 0.00 0.50 0.00 0.00 46.19 43.98 2qyh s LEU 21 CO 0.16 -0.39 1.39 -2.84 -1.32 0.00 0.00 176.35 173.35 2qyh s PRO 22 N 2.22 4.26 0.26 0.98 0.02 -1.26 -4.91 135.00 136.57 2qyh s PRO 22 Ca 0.16 2.35 -0.02 0.00 0.02 0.00 0.00 61.00 63.50 2qyh s PRO 22 Cb -0.16 -3.05 0.45 0.00 0.02 0.00 0.00 34.50 31.77 2qyh s PRO 22 CO 0.12 -0.34 1.82 -0.07 -0.33 0.00 0.00 177.00 178.20 2qyh h LEU 23 N 3.59 0.75 -1.83 -5.54 4.07 -1.98 -1.48 115.31 112.90 2qyh h LEU 23 Ca -0.49 0.05 -0.02 0.00 0.08 0.00 0.00 57.88 57.50 2qyh h LEU 23 Cb 1.23 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.87 2qyh h LEU 23 CO 0.68 0.42 -0.10 0.77 -1.08 0.00 0.00 178.44 179.12 2qyh h SER 24 N 0.85 0.00 -0.20 -0.43 4.64 -1.99 -1.78 113.55 114.63 2qyh h SER 24 Ca 0.43 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.55 2qyh h SER 24 Cb 0.41 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2qyh h SER 24 CO -0.26 0.10 -0.67 0.74 -0.87 0.00 0.00 176.83 175.87 2qyh h THR 25 N 0.00 1.28 -0.76 2.95 2.02 -1.64 0.11 112.91 116.86 2qyh h THR 25 Ca -0.00 -1.86 0.00 0.00 0.77 0.00 0.00 66.41 65.32 2qyh h THR 25 Cb 0.40 1.81 -0.04 0.00 -1.74 0.00 0.00 68.15 68.58 2qyh h THR 25 CO 0.01 0.60 0.49 0.40 0.37 0.00 0.00 175.52 177.39 2qyh h ILE 26 N 0.60 1.20 -0.28 3.11 2.04 -1.17 -0.15 117.51 122.86 2qyh h ILE 26 Ca -0.02 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 2qyh h ILE 26 Cb 1.29 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 2qyh h ILE 26 CO 0.14 0.20 0.08 -0.08 0.00 0.00 0.00 178.15 178.49 2qyh h GLU 27 N 1.03 0.44 -0.03 2.37 4.22 -1.19 -1.82 114.58 119.60 2qyh h GLU 27 Ca 0.28 -0.10 0.03 0.00 0.08 0.00 0.00 59.36 59.64 2qyh h GLU 27 Cb -0.09 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.04 2qyh h GLU 27 CO -0.06 0.51 -0.49 0.00 -2.18 0.00 0.00 179.01 176.79 2qyh h ALA 28 N 0.91 -0.82 -0.81 2.92 0.00 -0.06 0.97 119.26 122.36 2qyh h ALA 28 Ca 0.09 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.00 2qyh h ALA 28 Cb 0.26 0.88 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 2qyh h ALA 28 CO -0.00 -1.04 0.49 0.28 0.00 0.00 0.00 179.25 178.98 2qyh h VAL 29 N -0.62 1.01 0.05 0.00 2.07 -1.03 -0.53 116.25 117.20 2qyh h VAL 29 Ca 0.03 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.26 2qyh h VAL 29 Cb 0.69 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 2qyh h VAL 29 CO -0.36 0.16 -0.12 -0.09 0.02 0.00 0.00 177.57 177.18 2qyh h ARG 30 N 0.89 -0.22 -0.67 1.57 2.43 -0.54 -1.82 114.38 116.01 2qyh h ARG 30 Ca 0.36 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.58 2qyh h ARG 30 Cb 0.20 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 2qyh h ARG 30 CO -0.19 -0.15 0.41 0.00 -1.51 0.00 0.00 179.97 178.54 2qyh h ARG 31 N -0.23 0.78 -0.23 0.20 2.47 -0.19 -1.98 114.38 115.20 2qyh h ARG 31 Ca 0.03 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2qyh h ARG 31 Cb 0.26 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 2qyh h ARG 31 CO -0.09 0.52 0.15 -0.07 0.56 0.00 0.00 179.97 181.04 2qyh h LEU 32 N 0.80 0.25 -0.41 3.04 3.38 -0.82 -2.45 115.31 119.11 2qyh h LEU 32 Ca 0.28 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2qyh h LEU 32 Cb 0.04 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2qyh h LEU 32 CO -0.12 0.18 0.27 0.11 0.09 0.00 0.00 178.44 178.98 2qyh h LYS 33 N 0.30 0.54 -0.60 1.13 1.57 -1.11 -0.64 116.57 117.77 2qyh h LYS 33 Ca 0.08 -0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.96 2qyh h LYS 33 Cb -0.03 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 2qyh h LYS 33 CO -0.02 0.36 0.41 0.37 -0.57 0.00 0.00 179.45 180.01 2qyh h GLN 34 N 0.56 0.24 -0.01 3.15 4.15 -1.16 0.67 115.11 122.70 2qyh h GLN 34 Ca 0.15 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.56 2qyh h GLN 34 Cb -0.06 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.58 2qyh h GLN 34 CO -0.03 0.16 -0.06 0.43 -1.93 0.00 0.00 178.83 177.40 2qyh n SER 35 N -4.44 0.80 0.00 -0.69 7.64 -0.76 -4.91 113.62 111.26 2qyh n SER 35 Ca 0.11 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.94 2qyh n SER 35 Cb 0.50 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 2qyh n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qyh n GLY 36 N 1.18 0.63 3.68 0.23 0.00 0.23 -5.03 105.19 106.12 2qyh n GLY 36 Ca 0.18 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2qyh n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qyh s VAL 37 N -2.00 5.02 0.33 1.61 1.01 -0.32 -4.61 120.40 121.44 2qyh s VAL 37 Ca 0.00 1.31 -0.28 0.00 0.00 0.00 0.00 61.98 63.01 2qyh s VAL 37 Cb 0.00 -3.99 -0.10 0.00 0.00 0.00 0.00 36.38 32.29 2qyh s VAL 37 CO 0.00 0.16 1.19 -0.31 0.00 0.00 0.00 175.10 176.14 2qyh s TYR 38 N 1.48 3.25 -0.11 5.22 2.02 -0.43 -3.82 117.35 124.97 2qyh s TYR 38 Ca 0.33 1.56 0.03 0.00 -0.37 0.00 0.00 57.07 58.61 2qyh s TYR 38 Cb -0.16 -3.46 0.01 0.00 -0.40 0.00 0.00 41.96 37.95 2qyh s TYR 38 CO 0.13 -1.23 -0.18 0.08 -1.57 0.00 0.00 175.55 172.78 2qyh s VAL 39 N -1.22 1.71 0.04 0.71 1.01 -1.26 -0.96 120.40 120.43 2qyh s VAL 39 Ca 0.49 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 2qyh s VAL 39 Cb -0.34 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 2qyh s VAL 39 CO 0.45 0.48 0.12 0.00 0.00 0.00 0.00 175.10 176.15 2qyh s ALA 40 N 0.74 -0.14 -0.08 5.51 0.00 -0.46 -4.42 121.76 122.92 2qyh s ALA 40 Ca -0.11 -0.50 -0.04 0.00 0.00 0.00 0.00 51.96 51.31 2qyh s ALA 40 Cb -0.16 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 2qyh s ALA 40 CO 0.02 -0.34 0.11 0.42 0.00 0.00 0.00 175.76 175.97 2qyh s ILE 41 N -2.69 5.18 -0.15 0.00 1.01 -1.11 -0.72 121.20 122.72 2qyh s ILE 41 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.59 2qyh s ILE 41 Cb -0.01 -3.29 0.02 0.00 0.01 0.00 0.00 42.46 39.20 2qyh s ILE 41 CO -0.05 0.53 -0.13 0.00 0.00 0.00 0.00 174.94 175.29 2qyh s ALA 42 N -1.08 1.81 0.19 9.38 0.00 -0.18 -0.18 121.76 131.71 2qyh s ALA 42 Ca 0.18 -0.90 -0.15 0.00 0.00 0.00 0.00 51.96 51.09 2qyh s ALA 42 Cb -0.12 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 21.95 2qyh s ALA 42 CO 0.08 -0.44 0.46 -0.08 0.00 0.00 0.00 175.76 175.78 2qyh s THR 43 N 1.50 0.03 -1.07 0.00 -1.32 0.57 -4.25 115.64 111.11 2qyh s THR 43 Ca 0.04 -1.02 0.25 0.00 -1.21 0.00 0.00 61.69 59.76 2qyh s THR 43 Cb -0.13 -1.73 0.04 0.00 -1.51 0.00 0.00 72.50 69.17 2qyh s THR 43 CO -0.10 -0.15 1.45 0.61 -2.21 0.00 0.00 174.62 174.22 2qyh n GLY 44 N -0.31 -1.20 3.72 6.08 0.00 -1.26 -2.28 105.19 109.94 2qyh n GLY 44 Ca -0.08 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 2qyh n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qyh s ARG 45 N -2.95 1.36 0.37 1.61 0.52 -1.26 -3.68 118.95 114.91 2qyh s ARG 45 Ca 0.12 0.84 -0.19 0.00 -0.52 0.00 0.00 55.73 55.98 2qyh s ARG 45 Cb 0.18 -1.82 -0.10 0.00 0.52 0.00 0.00 34.95 33.73 2qyh s ARG 45 CO 0.68 -2.18 0.86 0.00 0.02 0.00 0.00 175.30 174.68 2qyh s ALA 46 N -2.94 3.17 0.21 2.13 0.00 -1.26 -0.78 121.76 122.29 2qyh s ALA 46 Ca 0.63 0.27 -0.13 0.00 0.00 0.00 0.00 51.96 52.73 2qyh s ALA 46 Cb -0.18 -3.00 0.24 0.00 0.00 0.00 0.00 23.12 20.18 2qyh s ALA 46 CO 0.57 0.22 1.63 -1.35 0.00 0.00 0.00 175.76 176.83 2qyh h PRO 47 N 2.22 0.02 -3.34 0.00 0.11 -1.84 -3.31 132.00 125.85 2qyh h PRO 47 Ca -0.48 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 2qyh h PRO 47 Cb 1.18 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2qyh h PRO 47 CO 0.63 0.01 1.03 1.97 -0.21 0.00 0.00 178.00 181.43 2qyh n PHE 48 N -5.40 0.28 0.00 0.65 -1.74 -1.22 -3.11 117.46 106.92 2qyh n PHE 48 Ca 0.07 -0.72 0.00 0.00 -0.56 0.00 0.00 57.45 56.24 2qyh n PHE 48 Cb 0.33 -0.85 0.00 0.00 1.52 0.00 0.00 39.48 40.48 2qyh n PHE 48 CO 0.00 0.00 0.00 1.97 -0.56 0.00 0.00 176.76 178.17 2qyh n PHE 50 N 3.89 0.00 0.03 2.97 1.16 -1.25 -4.90 117.46 119.36 2qyh n PHE 50 Ca 0.13 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.63 2qyh n PHE 50 Cb 0.11 -0.01 0.08 0.00 -1.61 0.00 0.00 39.48 38.06 2qyh n PHE 50 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 2qyh h GLU 51 N 0.52 0.47 -0.06 3.97 4.81 -1.88 -2.72 114.58 119.68 2qyh h GLU 51 Ca 0.00 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2qyh h GLU 51 Cb 0.00 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 2qyh h GLU 51 CO 0.00 0.89 0.04 1.25 -0.73 0.00 0.00 179.01 180.46 2qyh h HIS 52 N 0.36 0.08 -1.00 0.92 2.76 -1.91 -0.03 115.15 116.33 2qyh h HIS 52 Ca 0.01 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.22 2qyh h HIS 52 Cb 1.06 -0.03 -0.06 0.00 1.55 0.00 0.00 27.41 29.94 2qyh h HIS 52 CO 0.04 0.05 0.65 0.28 -1.30 0.00 0.00 177.93 177.65 2qyh h VAL 53 N 0.08 1.16 -0.27 5.26 2.07 -1.98 0.05 116.25 122.62 2qyh h VAL 53 Ca 0.02 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 2qyh h VAL 53 Cb -0.01 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.55 2qyh h VAL 53 CO -0.01 0.23 0.11 0.03 0.02 0.00 0.00 177.57 177.95 2qyh h ARG 54 N 1.25 0.40 -0.35 1.57 3.08 -1.12 -1.38 114.38 117.83 2qyh h ARG 54 Ca 0.40 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.34 2qyh h ARG 54 Cb 0.03 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2qyh h ARG 54 CO -0.13 0.42 0.02 0.87 -1.07 0.00 0.00 179.97 180.08 2qyh h LYS 55 N 0.28 0.54 -0.55 0.04 1.57 -0.46 0.56 116.57 118.56 2qyh h LYS 55 Ca 0.09 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 2qyh h LYS 55 Cb 0.17 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2qyh h LYS 55 CO -0.01 0.56 0.12 1.96 -0.57 0.00 0.00 179.45 181.51 2qyh h GLN 56 N 0.52 0.88 -0.23 3.15 4.20 -0.53 -3.10 115.11 120.00 2qyh h GLN 56 Ca 0.11 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2qyh h GLN 56 Cb 0.31 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2qyh h GLN 56 CO 0.01 0.84 0.00 1.28 -0.67 0.00 0.00 178.83 180.28 2qyh n LEU 57 N -4.40 3.26 -3.60 1.46 4.77 -0.56 -4.96 117.00 112.96 2qyh n LEU 57 Ca 0.02 -1.29 -0.22 0.00 -0.03 0.00 0.00 56.01 54.50 2qyh n LEU 57 Cb 0.24 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.25 2qyh n LEU 57 CO 0.41 0.64 0.10 0.61 -1.33 0.00 0.00 177.39 177.81 2qyh n GLY 58 N 1.42 -0.41 3.42 -0.72 0.00 0.17 -4.93 105.19 104.15 2qyh n GLY 58 Ca 0.17 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.97 2qyh n GLY 58 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qyh s ILE 59 N -3.42 4.30 -0.15 -0.61 1.01 -0.04 -4.95 121.20 117.34 2qyh s ILE 59 Ca 0.23 -0.35 0.15 0.00 0.00 0.00 0.00 60.65 60.68 2qyh s ILE 59 Cb -0.11 -3.10 0.34 0.00 0.01 0.00 0.00 42.46 39.60 2qyh s ILE 59 CO 0.76 0.22 1.17 -0.90 0.00 0.00 0.00 174.94 176.19 2qyh n ASP 60 N 4.93 1.77 -4.05 3.58 5.75 -1.26 -4.66 116.55 122.60 2qyh n ASP 60 Ca -0.15 -3.29 -0.22 0.00 -0.01 0.00 0.00 54.79 51.11 2qyh n ASP 60 Cb 0.50 -0.45 -0.16 0.00 -1.03 0.00 0.00 41.12 39.99 2qyh n ASP 60 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2qyh s SER 61 N -2.83 1.52 -0.06 -1.12 0.01 -1.26 -0.71 113.70 109.26 2qyh s SER 61 Ca 0.33 -0.24 -0.31 0.00 1.31 0.00 0.00 55.95 57.04 2qyh s SER 61 Cb 0.31 -0.40 0.11 0.00 0.21 0.00 0.00 66.02 66.25 2qyh s SER 61 CO -0.04 0.10 1.08 0.72 0.41 0.00 0.00 173.24 175.51 2qyh s PHE 62 N 0.13 -0.19 -0.27 2.43 -0.71 0.12 -2.75 117.98 116.74 2qyh s PHE 62 Ca -0.03 0.07 -0.01 0.00 -1.04 0.00 0.00 56.93 55.92 2qyh s PHE 62 Cb -0.09 0.54 0.04 0.00 -1.21 0.00 0.00 43.02 42.30 2qyh s PHE 62 CO 0.01 -0.41 -0.05 0.08 -1.34 0.00 0.00 175.22 173.51 2qyh s VAL 63 N -2.77 2.83 0.49 -2.49 1.01 0.75 -0.45 120.40 119.77 2qyh s VAL 63 Ca 0.09 -1.22 0.02 0.00 0.00 0.00 0.00 61.98 60.88 2qyh s VAL 63 Cb -0.00 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 2qyh s VAL 63 CO -0.05 0.07 0.01 -0.94 0.00 0.00 0.00 175.10 174.19 2qyh s SER 64 N 1.28 4.03 -1.53 3.32 1.04 0.01 -0.31 113.70 121.53 2qyh s SER 64 Ca -0.03 -1.60 -0.11 0.00 0.48 0.00 0.00 55.95 54.69 2qyh s SER 64 Cb -0.18 0.35 0.08 0.00 0.10 0.00 0.00 66.02 66.37 2qyh s SER 64 CO -0.03 -0.78 0.80 0.49 0.98 0.00 0.00 173.24 174.69 2qyh n PHE 65 N -1.20 -1.99 -3.95 5.02 3.72 0.04 -1.56 117.46 117.54 2qyh n PHE 65 Ca -0.16 0.84 -0.32 0.00 -0.05 0.00 0.00 57.45 57.76 2qyh n PHE 65 Cb 0.67 -3.70 0.00 0.00 -0.94 0.00 0.00 39.48 35.51 2qyh n PHE 65 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2qyh n ASN 66 N -2.84 -4.13 0.00 4.37 3.02 -0.96 -1.73 115.26 112.99 2qyh n ASN 66 Ca -0.05 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 2qyh n ASN 66 Cb 0.56 -3.33 0.00 0.00 -0.61 0.00 0.00 39.78 36.40 2qyh n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qyh n GLY 67 N -1.50 0.48 0.01 7.41 0.00 -0.60 -1.58 105.19 109.40 2qyh n GLY 67 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 2qyh n GLY 67 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qyh n GLN 68 N -2.00 0.11 -3.48 1.61 3.00 -0.71 -4.59 117.38 111.32 2qyh n GLN 68 Ca 0.00 -0.01 -0.18 0.00 -0.01 0.00 0.00 57.00 56.79 2qyh n GLN 68 Cb 0.00 -1.50 -0.13 0.00 0.00 0.00 0.00 30.24 28.61 2qyh n GLN 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 2qyh s TYR 69 N -2.90 -0.29 -0.13 1.08 5.04 -1.14 -0.84 117.35 118.17 2qyh s TYR 69 Ca 0.17 0.20 0.03 0.00 -2.44 0.00 0.00 57.07 55.03 2qyh s TYR 69 Cb 0.19 -0.36 0.01 0.00 0.35 0.00 0.00 41.96 42.15 2qyh s TYR 69 CO 0.54 -0.63 -0.22 0.08 -1.34 0.00 0.00 175.55 173.98 2qyh s VAL 70 N 2.33 2.00 -0.01 3.14 1.01 0.41 -0.81 120.40 128.47 2qyh s VAL 70 Ca 0.07 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.17 2qyh s VAL 70 Cb -0.16 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 2qyh s VAL 70 CO -0.14 0.54 -0.23 -0.69 0.00 0.00 0.00 175.10 174.59 2qyh s VAL 71 N 0.71 2.33 -0.14 2.92 1.01 0.41 0.47 120.40 128.10 2qyh s VAL 71 Ca -0.10 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.78 2qyh s VAL 71 Cb -0.16 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.38 2qyh s VAL 71 CO 0.01 0.52 -0.11 0.12 0.00 0.00 0.00 175.10 175.63 2qyh s PHE 72 N -0.70 1.91 -1.49 5.22 5.36 0.54 0.13 117.98 128.94 2qyh s PHE 72 Ca 0.11 -1.05 -0.04 0.00 -0.96 0.00 0.00 56.93 54.98 2qyh s PHE 72 Cb -0.10 -1.46 0.04 0.00 -0.34 0.00 0.00 43.02 41.16 2qyh s PHE 72 CO 0.00 -0.61 0.44 0.39 -1.46 0.00 0.00 175.22 173.98 2qyh n GLU 73 N 4.84 -2.92 0.00 10.12 1.02 -0.92 -1.32 120.64 131.45 2qyh n GLU 73 Ca -0.15 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 2qyh n GLU 73 Cb 0.50 -4.52 0.00 0.00 -0.02 0.00 0.00 31.44 27.40 2qyh n GLU 73 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qyh n GLY 74 N -1.94 3.09 3.57 0.62 0.00 0.12 -5.01 105.19 105.64 2qyh n GLY 74 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 2qyh n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qyh s ASN 75 N -1.17 4.65 0.19 1.61 0.01 -0.44 -5.07 114.94 114.72 2qyh s ASN 75 Ca 0.00 -0.04 -0.32 0.00 -0.71 0.00 0.00 52.86 51.79 2qyh s ASN 75 Cb 0.00 -1.26 -0.12 0.00 0.41 0.00 0.00 41.25 40.28 2qyh s ASN 75 CO 0.00 0.33 1.73 0.52 -1.51 0.00 0.00 177.10 178.18 2qyh n VAL 76 N 2.41 0.06 -0.03 1.60 0.31 -1.26 -0.34 118.33 121.08 2qyh n VAL 76 Ca -0.18 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2qyh n VAL 76 Cb 0.53 -1.97 -0.09 0.00 -0.91 0.00 0.00 33.84 31.39 2qyh n VAL 76 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2qyh n LEU 77 N 4.19 0.00 -3.63 7.52 0.00 0.17 -4.84 117.00 120.42 2qyh n LEU 77 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 56.06 2qyh n LEU 77 Cb 0.35 0.15 -0.07 0.00 0.00 0.00 0.00 43.42 43.84 2qyh n LEU 77 CO 0.64 0.15 0.58 -0.47 0.00 0.00 0.00 177.39 178.29 2qyh s TYR 78 N -2.57 -0.63 -0.17 1.96 6.14 -0.99 -5.00 117.35 116.09 2qyh s TYR 78 Ca -0.05 1.52 -0.11 0.00 0.64 0.00 0.00 57.07 59.06 2qyh s TYR 78 Cb 0.06 0.32 0.06 0.00 0.42 0.00 0.00 41.96 42.81 2qyh s TYR 78 CO 0.50 -0.31 0.43 -1.59 0.64 0.00 0.00 175.55 175.22 2qyh s LYS 79 N 0.27 0.44 -0.41 4.97 -2.85 -1.26 -0.45 119.74 120.45 2qyh s LYS 79 Ca 0.01 0.76 0.02 0.00 -1.00 0.00 0.00 55.97 55.76 2qyh s LYS 79 Cb -0.05 0.06 0.13 0.00 -2.06 0.00 0.00 37.83 35.91 2qyh s LYS 79 CO -0.02 -0.13 0.20 -1.14 0.10 0.00 0.00 175.35 174.36 2qyh s GLN 80 N 1.08 1.18 0.72 1.78 0.74 -0.02 -5.00 119.66 120.14 2qyh s GLN 80 Ca -0.07 -1.81 -0.14 0.00 0.05 0.00 0.00 55.36 53.39 2qyh s GLN 80 Cb -0.07 -2.31 0.03 0.00 1.10 0.00 0.00 33.01 31.77 2qyh s GLN 80 CO -0.09 -1.11 1.17 -2.14 -0.55 0.00 0.00 175.29 172.56 2qyh s PRO 81 N 0.64 2.28 0.34 1.67 0.02 -1.26 -4.80 135.00 133.88 2qyh s PRO 81 Ca 0.16 1.61 -0.28 0.00 0.02 0.00 0.00 61.00 62.51 2qyh s PRO 81 Cb -0.23 -1.87 -0.09 0.00 0.02 0.00 0.00 34.50 32.33 2qyh s PRO 81 CO -0.05 -1.69 1.18 -0.51 -0.33 0.00 0.00 177.00 175.59 2qyh s LEU 82 N -5.18 4.39 -0.15 -5.54 1.02 0.21 -4.91 118.68 108.52 2qyh s LEU 82 Ca 0.71 2.40 -0.29 0.00 0.02 0.00 0.00 54.13 56.97 2qyh s LEU 82 Cb -0.25 -3.78 -0.06 0.00 0.02 0.00 0.00 46.19 42.12 2qyh s LEU 82 CO 0.45 -0.43 2.16 0.54 0.02 0.00 0.00 176.35 179.10 2qyh n ARG 83 N 0.69 2.19 -0.24 1.70 1.74 -1.26 -4.71 116.66 116.76 2qyh n ARG 83 Ca 0.01 0.67 0.05 0.00 -0.77 0.00 0.00 57.85 57.81 2qyh n ARG 83 Cb 0.45 -3.18 0.17 0.00 -1.02 0.00 0.00 32.46 28.88 2qyh n ARG 83 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2qyh h ARG 84 N 13.92 0.31 -0.34 5.56 2.43 -1.93 -0.44 114.38 133.88 2qyh h ARG 84 Ca -0.43 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 58.79 2qyh h ARG 84 Cb 1.24 -0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 30.64 2qyh h ARG 84 CO 0.96 0.20 -0.34 1.49 -1.51 0.00 0.00 179.97 180.77 2qyh h GLU 85 N 0.32 -0.29 0.00 0.20 4.81 -1.98 0.03 114.58 117.67 2qyh h GLU 85 Ca 0.40 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.57 2qyh h GLU 85 Cb 0.65 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 2qyh h GLU 85 CO -0.46 -0.19 -0.40 0.87 -0.73 0.00 0.00 179.01 178.10 2qyh h LYS 86 N -0.30 0.00 -0.55 1.92 1.79 -1.68 -2.67 116.57 115.08 2qyh h LYS 86 Ca 0.15 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.53 2qyh h LYS 86 Cb 0.55 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.18 2qyh h LYS 86 CO -0.51 0.40 -0.04 0.28 -1.08 0.00 0.00 179.45 178.51 2qyh h VAL 87 N 0.00 1.26 -0.14 0.50 2.07 0.16 -1.78 116.25 118.31 2qyh h VAL 87 Ca -0.00 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 2qyh h VAL 87 Cb 0.74 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2qyh h VAL 87 CO 0.05 0.41 0.04 -0.09 0.02 0.00 0.00 177.57 178.01 2qyh h ARG 88 N 0.88 0.22 -0.22 1.57 2.43 -0.73 -1.93 114.38 116.61 2qyh h ARG 88 Ca 0.15 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2qyh h ARG 88 Cb 0.57 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2qyh h ARG 88 CO 0.03 0.35 0.13 0.00 -1.51 0.00 0.00 179.97 178.97 2qyh h ALA 89 N 0.86 0.27 -0.59 2.80 0.00 -1.39 -1.24 119.26 119.97 2qyh h ALA 89 Ca 0.04 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2qyh h ALA 89 Cb 0.22 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2qyh h ALA 89 CO -0.00 -0.27 0.36 1.25 0.00 0.00 0.00 179.25 180.59 2qyh h LEU 90 N 0.27 0.58 0.22 0.00 6.46 -1.31 0.36 115.31 121.89 2qyh h LEU 90 Ca 0.08 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 2qyh h LEU 90 Cb -0.01 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 39.80 2qyh h LEU 90 CO -0.03 0.40 -0.11 0.74 -0.62 0.00 0.00 178.44 178.82 2qyh h THR 91 N 0.70 0.77 -0.22 1.05 2.02 -1.02 -0.10 112.91 116.11 2qyh h THR 91 Ca 0.24 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.42 2qyh h THR 91 Cb 0.03 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2qyh h THR 91 CO -0.11 0.00 0.15 -0.33 0.37 0.00 0.00 175.52 175.60 2qyh h GLU 92 N -0.31 0.30 -0.50 6.66 5.08 -0.92 0.15 114.58 125.04 2qyh h GLU 92 Ca -0.03 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2qyh h GLU 92 Cb 0.24 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2qyh h GLU 92 CO 0.04 0.21 0.24 1.49 -1.00 0.00 0.00 179.01 179.99 2qyh h GLU 93 N 0.30 0.73 -0.69 2.33 4.81 -0.87 -2.34 114.58 118.84 2qyh h GLU 93 Ca 0.08 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 2qyh h GLU 93 Cb -0.02 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 2qyh h GLU 93 CO -0.02 0.61 0.16 0.00 -0.73 0.00 0.00 179.01 179.04 2qyh h ALA 94 N 1.08 0.98 -0.52 2.92 0.00 -0.78 -2.52 119.26 120.42 2qyh h ALA 94 Ca 0.17 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2qyh h ALA 94 Cb 0.13 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2qyh h ALA 94 CO -0.02 0.66 0.34 1.25 0.00 0.00 0.00 179.25 181.48 2qyh h HIS 95 N 1.05 0.62 -0.27 0.00 -0.00 -0.41 0.14 115.15 116.27 2qyh h HIS 95 Ca 0.22 0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.56 2qyh h HIS 95 Cb 0.37 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.56 2qyh h HIS 95 CO 0.03 0.38 -0.02 0.87 -0.00 0.00 0.00 177.93 179.19 2qyh h LYS 96 N 0.66 0.40 -0.43 5.26 1.57 -0.97 -1.70 116.57 121.37 2qyh h LYS 96 Ca 0.20 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2qyh h LYS 96 Cb -0.02 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2qyh h LYS 96 CO -0.05 0.45 0.00 0.09 -0.57 0.00 0.00 179.45 179.37 2qyh n ASN 97 N -4.31 2.54 -0.58 0.86 3.02 -0.55 -4.91 115.26 111.33 2qyh n ASN 97 Ca 0.01 -1.95 -0.06 0.00 -0.03 0.00 0.00 54.58 52.54 2qyh n ASN 97 Cb 0.23 -0.28 -0.02 0.00 -0.61 0.00 0.00 39.78 39.10 2qyh n ASN 97 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qyh n GLY 98 N 1.27 0.58 3.43 7.41 0.00 -0.64 -5.01 105.19 112.24 2qyh n GLY 98 Ca 0.17 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 2qyh n GLY 98 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qyh s HIS 99 N -2.27 3.20 0.68 1.61 3.76 0.36 -4.99 115.29 117.65 2qyh s HIS 99 Ca 0.00 -0.62 -0.08 0.00 -0.15 0.00 0.00 55.06 54.20 2qyh s HIS 99 Cb 0.00 -2.39 0.04 0.00 1.11 0.00 0.00 32.58 31.33 2qyh s HIS 99 CO 0.00 -0.49 1.02 -1.25 -0.85 0.00 0.00 174.74 173.16 2qyh s PRO 100 N 1.61 2.54 0.23 8.40 0.04 -1.26 -3.50 135.00 143.07 2qyh s PRO 100 Ca 0.04 0.03 0.01 0.00 0.04 0.00 0.00 61.00 61.13 2qyh s PRO 100 Cb -0.18 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 2qyh s PRO 100 CO 0.07 -1.07 0.06 -0.51 0.04 0.00 0.00 177.00 175.59 2qyh s LEU 101 N -5.23 1.80 -0.05 -3.56 1.02 -1.26 -0.98 118.68 110.42 2qyh s LEU 101 Ca 0.58 -1.31 0.01 0.00 0.02 0.00 0.00 54.13 53.42 2qyh s LEU 101 Cb -0.11 -0.01 0.02 0.00 0.02 0.00 0.00 46.19 46.12 2qyh s LEU 101 CO 0.47 -0.67 -0.04 -0.69 0.02 0.00 0.00 176.35 175.43 2qyh s VAL 102 N -3.72 0.53 0.60 -1.59 1.01 -0.27 -0.99 120.40 115.97 2qyh s VAL 102 Ca 0.33 -0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.27 2qyh s VAL 102 Cb 0.07 -0.57 0.09 0.00 0.00 0.00 0.00 36.38 35.98 2qyh s VAL 102 CO 0.10 0.23 0.82 -0.36 0.00 0.00 0.00 175.10 175.90 2qyh s PHE 103 N 0.98 1.53 0.00 5.22 0.08 0.37 -0.84 117.98 125.32 2qyh s PHE 103 Ca -0.10 -0.61 0.00 0.00 0.12 0.00 0.00 56.93 56.34 2qyh s PHE 103 Cb -0.14 -2.39 0.00 0.00 -0.57 0.00 0.00 43.02 39.91 2qyh s PHE 103 CO -0.00 -1.24 0.00 -0.40 -0.10 0.00 0.00 175.22 173.48 2qyh n ASP 105 N -2.35 0.00 0.15 1.36 5.68 -0.60 -0.20 116.55 120.58 2qyh n ASP 105 Ca 0.15 -0.65 0.00 0.00 -0.50 0.00 0.00 54.79 53.80 2qyh n ASP 105 Cb 0.61 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.80 2qyh n ASP 105 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qyh h ALA 106 N 2.00 0.97 0.00 2.12 0.00 -2.00 -3.37 119.26 118.98 2qyh h ALA 106 Ca 0.00 -0.51 -0.22 0.00 0.00 0.00 0.00 54.91 54.18 2qyh h ALA 106 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2qyh h ALA 106 CO 0.00 0.70 -1.38 0.39 0.00 0.00 0.00 179.25 178.96 2qyh n GLU 107 N -3.73 0.55 0.00 0.00 4.71 -1.26 -3.41 120.64 117.50 2qyh n GLU 107 Ca -0.01 0.47 0.00 0.00 -0.01 0.00 0.00 57.16 57.62 2qyh n GLU 107 Cb 0.59 -1.66 0.00 0.00 -1.01 0.00 0.00 31.44 29.36 2qyh n GLU 107 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 2qyh n LYS 108 N -4.43 0.92 -3.65 3.49 2.85 -1.26 -4.74 118.16 111.34 2qyh n LYS 108 Ca -0.31 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 56.93 2qyh n LYS 108 Cb 0.64 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.95 2qyh n LYS 108 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2qyh s ARG 110 N 4.43 0.03 -0.00 -1.58 3.00 0.72 -1.56 118.95 123.98 2qyh s ARG 110 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 55.73 55.75 2qyh s ARG 110 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 34.95 34.92 2qyh s ARG 110 CO 0.00 -0.00 0.10 0.00 0.00 0.00 0.00 175.30 175.39 2qyh s ALA 111 N -0.22 3.64 -0.08 2.13 0.00 -0.63 0.14 121.76 126.74 2qyh s ALA 111 Ca 0.08 -0.86 0.13 0.00 0.00 0.00 0.00 51.96 51.31 2qyh s ALA 111 Cb -0.04 -1.62 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 2qyh s ALA 111 CO -0.15 0.70 1.34 0.66 0.00 0.00 0.00 175.76 178.32 2qyh h SER 112 N 4.03 0.00 -3.94 0.00 4.64 -1.32 0.37 113.55 117.33 2qyh h SER 112 Ca -0.49 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.36 2qyh h SER 112 Cb 1.18 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.97 2qyh h SER 112 CO 0.63 0.65 -0.80 -0.63 -0.87 0.00 0.00 176.83 175.81 2qyh s ILE 113 N -2.89 0.99 0.40 0.95 -1.09 -1.26 -4.23 121.20 114.07 2qyh s ILE 113 Ca 0.03 -0.49 -0.10 0.00 -2.23 0.00 0.00 60.65 57.86 2qyh s ILE 113 Cb 0.08 -0.86 -0.06 0.00 -1.58 0.00 0.00 42.46 40.04 2qyh s ILE 113 CO 0.77 0.29 0.75 -0.83 -1.23 0.00 0.00 174.94 174.69 2qyh s GLY 114 N 0.01 1.91 -1.74 6.18 0.00 -1.26 -4.23 107.32 108.19 2qyh s GLY 114 Ca -0.01 -0.26 -0.19 0.00 0.00 0.00 0.00 44.72 44.26 2qyh s GLY 114 CO 0.01 -0.08 0.71 1.34 0.00 0.00 0.00 173.10 175.08 2qyh n ASP 115 N -1.32 -2.73 -4.71 1.64 2.03 -1.26 -4.90 116.55 105.30 2qyh n ASP 115 Ca 0.02 -1.08 -0.39 0.00 0.52 0.00 0.00 54.79 53.85 2qyh n ASP 115 Cb 0.54 -2.44 -0.05 0.00 -0.72 0.00 0.00 41.12 38.45 2qyh n ASP 115 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2qyh s HIS 116 N -3.33 3.55 0.27 -0.67 2.46 -1.26 -4.97 115.29 111.35 2qyh s HIS 116 Ca 0.72 1.17 0.37 0.00 0.47 0.00 0.00 55.06 57.79 2qyh s HIS 116 Cb -0.40 -2.76 1.74 0.00 -0.13 0.00 0.00 32.58 31.03 2qyh s HIS 116 CO 0.96 0.08 2.11 -1.00 -2.47 0.00 0.00 174.74 174.41 2qyh h PRO 117 N 6.80 0.00 0.07 2.88 0.13 -1.97 -2.44 132.00 137.46 2qyh h PRO 117 Ca -0.40 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.49 2qyh h PRO 117 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2qyh h PRO 117 CO 0.76 0.00 -1.11 0.45 -0.23 0.00 0.00 178.00 177.87 2qyh h HIS 118 N 0.00 0.30 0.39 1.56 3.86 -1.94 -2.99 115.15 116.32 2qyh h HIS 118 Ca 0.00 -0.21 -0.02 0.00 -1.16 0.00 0.00 60.37 58.98 2qyh h HIS 118 Cb 0.30 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.76 2qyh h HIS 118 CO 0.00 1.14 -0.19 0.82 0.86 0.00 0.00 177.93 180.57 2qyh h ILE 119 N 0.05 0.60 -0.37 2.45 2.04 -1.85 -1.47 117.51 118.96 2qyh h ILE 119 Ca -0.08 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.43 2qyh h ILE 119 Cb 1.84 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 38.63 2qyh h ILE 119 CO 0.17 0.07 -0.47 0.45 0.00 0.00 0.00 178.15 178.37 2qyh h HIS 120 N -0.75 -1.45 0.10 1.37 3.86 -1.51 -2.96 115.15 113.80 2qyh h HIS 120 Ca -0.05 0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2qyh h HIS 120 Cb 0.52 0.68 -0.01 0.00 1.06 0.00 0.00 27.41 29.66 2qyh h HIS 120 CO 0.00 -0.41 -0.09 0.28 0.86 0.00 0.00 177.93 178.58 2qyh h VAL 121 N -0.32 0.80 0.00 2.45 2.07 -1.57 0.11 116.25 119.79 2qyh h VAL 121 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 2qyh h VAL 121 Cb 0.49 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2qyh h VAL 121 CO -0.52 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 175.53 2qyh n SER 122 N -5.20 0.63 0.00 0.57 3.41 -0.55 -2.59 113.62 109.88 2qyh n SER 122 Ca -0.07 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.92 2qyh n SER 122 Cb 0.13 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 2qyh n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qyh n ALA 124 N 0.61 0.00 0.29 7.33 0.00 0.38 -3.42 120.51 125.69 2qyh n ALA 124 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 2qyh n ALA 124 Cb 0.12 0.00 0.80 0.00 0.00 0.00 0.00 19.45 20.37 2qyh n ALA 124 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qyh h SER 125 N 0.00 0.00 0.07 0.00 4.64 -1.75 0.26 113.55 116.77 2qyh h SER 125 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qyh h SER 125 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qyh h SER 125 CO 0.00 0.03 -0.14 0.18 -0.87 0.00 0.00 176.83 176.04 2qyh n LEU 126 N -3.18 1.60 -1.39 5.97 4.32 -1.22 -4.92 117.00 118.18 2qyh n LEU 126 Ca -0.01 -0.52 -0.09 0.00 -0.02 0.00 0.00 56.01 55.38 2qyh n LEU 126 Cb 0.25 -0.04 0.02 0.00 -1.62 0.00 0.00 43.42 42.03 2qyh n LEU 126 CO 0.26 0.28 0.01 0.29 -1.22 0.00 0.00 177.39 177.01 2qyh n LYS 127 N 0.04 -2.08 -4.75 3.23 4.76 0.92 -5.05 118.16 115.22 2qyh n LYS 127 Ca 0.15 0.36 -0.30 0.00 -2.87 0.00 0.00 58.31 55.65 2qyh n LYS 127 Cb 0.40 -4.08 -0.14 0.00 -1.84 0.00 0.00 35.03 29.37 2qyh n LYS 127 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2qyh s PHE 128 N -2.82 2.33 0.81 2.13 0.40 -1.26 -4.97 117.98 114.61 2qyh s PHE 128 Ca 0.13 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 55.95 2qyh s PHE 128 Cb -0.06 -1.36 0.08 0.00 0.51 0.00 0.00 43.02 42.19 2qyh s PHE 128 CO 0.16 0.19 1.14 0.00 0.70 0.00 0.00 175.22 177.42 2qyh s ALA 129 N -0.88 2.44 0.16 5.36 0.00 -1.26 -3.09 121.76 124.50 2qyh s ALA 129 Ca 0.13 -0.50 -0.31 0.00 0.00 0.00 0.00 51.96 51.27 2qyh s ALA 129 Cb -0.10 -3.01 -0.11 0.00 0.00 0.00 0.00 23.12 19.91 2qyh s ALA 129 CO 0.03 -1.72 1.71 -1.58 0.00 0.00 0.00 175.76 174.20 2qyh s HIS 130 N -3.41 2.69 0.66 0.00 2.46 -1.26 -4.91 115.29 111.52 2qyh s HIS 130 Ca 0.61 0.31 -0.17 0.00 0.47 0.00 0.00 55.06 56.28 2qyh s HIS 130 Cb -0.12 -4.08 -0.00 0.00 -0.13 0.00 0.00 32.58 28.25 2qyh s HIS 130 CO 0.51 -4.19 1.27 -2.14 -2.47 0.00 0.00 174.74 167.72 2qyh s PRO 131 N 1.74 2.48 0.65 2.88 0.02 -1.26 -4.93 135.00 136.58 2qyh s PRO 131 Ca 0.75 1.99 -0.18 0.00 0.02 0.00 0.00 61.00 63.58 2qyh s PRO 131 Cb -0.46 -1.85 -0.01 0.00 0.02 0.00 0.00 34.50 32.20 2qyh s PRO 131 CO 0.33 -1.63 1.21 -2.30 -0.33 0.00 0.00 177.00 174.27 2qyh n PRO 132 N -2.07 1.00 -3.32 5.54 -0.02 -1.26 -4.46 135.00 130.41 2qyh n PRO 132 Ca 0.15 0.40 -0.38 0.00 -2.02 0.00 0.00 63.50 61.65 2qyh n PRO 132 Cb 0.49 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 2qyh n PRO 132 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qyh s VAL 133 N -1.46 4.99 -0.39 -1.45 0.11 -1.26 -1.61 120.40 119.33 2qyh s VAL 133 Ca 0.81 1.06 -0.01 0.00 -2.93 0.00 0.00 61.98 60.91 2qyh s VAL 133 Cb -0.38 -3.84 0.19 0.00 -1.53 0.00 0.00 36.38 30.82 2qyh s VAL 133 CO 0.42 0.45 0.88 -0.62 -3.33 0.00 0.00 175.10 172.90 2qyh s ASP 134 N -0.33 -0.88 0.62 3.54 -1.08 0.13 -4.87 116.67 113.80 2qyh s ASP 134 Ca 0.27 -0.67 0.29 0.00 -0.52 0.00 0.00 52.55 51.92 2qyh s ASP 134 Cb -0.17 1.14 1.55 0.00 -1.46 0.00 0.00 42.92 43.98 2qyh s ASP 134 CO 0.15 -0.07 1.92 -0.65 0.52 0.00 0.00 175.17 177.03 2qyh h PRO 135 N 5.57 0.00 -0.21 4.34 0.11 -1.73 -2.35 132.00 137.73 2qyh h PRO 135 Ca 0.01 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.07 2qyh h PRO 135 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2qyh h PRO 135 CO -0.01 0.00 -0.07 1.28 -0.21 0.00 0.00 178.00 178.98 2qyh n LEU 136 N -3.36 3.51 -0.37 2.35 4.77 -1.26 -4.73 117.00 117.92 2qyh n LEU 136 Ca 0.03 -3.36 0.00 0.00 -0.03 0.00 0.00 56.01 52.66 2qyh n LEU 136 Cb 0.51 -0.55 0.15 0.00 -2.33 0.00 0.00 43.42 41.21 2qyh n LEU 136 CO 0.21 0.94 1.28 0.22 -1.33 0.00 0.00 177.39 178.71 2qyh h TYR 137 N 1.07 1.22 0.00 -1.77 5.03 -1.82 -2.10 116.97 118.60 2qyh h TYR 137 Ca 0.07 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.39 2qyh h TYR 137 Cb 1.37 -0.41 -0.00 0.00 1.55 0.00 0.00 36.73 39.24 2qyh h TYR 137 CO 0.58 0.70 -0.09 0.10 -1.32 0.00 0.00 178.16 178.14 2qyh h TYR 138 N 1.26 0.00 -0.72 -3.82 -0.00 -1.85 -2.81 116.97 109.03 2qyh h TYR 138 Ca 0.39 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 59.09 2qyh h TYR 138 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 36.70 2qyh h TYR 138 CO -0.00 0.09 0.31 0.93 -0.00 0.00 0.00 178.16 179.49 2qyh h GLU 139 N 0.00 1.06 -0.20 0.10 4.39 -1.74 -3.27 114.58 114.93 2qyh h GLU 139 Ca -0.00 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.52 2qyh h GLU 139 Cb 0.36 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2qyh h GLU 139 CO 0.01 0.86 0.00 0.27 -1.16 0.00 0.00 179.01 178.99 2qyh n ASN 140 N -4.38 2.49 -4.04 1.42 0.23 -1.19 -5.00 115.26 104.79 2qyh n ASN 140 Ca 0.06 -1.94 -0.15 0.00 -0.53 0.00 0.00 54.58 52.02 2qyh n ASN 140 Cb 0.16 -0.13 -0.13 0.00 -2.08 0.00 0.00 39.78 37.60 2qyh n ASN 140 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2qyh s LYS 141 N -0.96 0.57 0.09 -3.83 -0.14 -1.07 -5.12 119.74 109.28 2qyh s LYS 141 Ca 0.14 -0.58 -0.31 0.00 -1.36 0.00 0.00 55.97 53.87 2qyh s LYS 141 Cb 0.07 -0.45 -0.06 0.00 -1.68 0.00 0.00 37.83 35.71 2qyh s LYS 141 CO 0.10 0.10 1.24 -0.51 -0.76 0.00 0.00 175.35 175.52 2qyh s ASP 142 N -1.03 7.03 -0.12 2.83 1.01 -1.26 -4.57 116.67 120.55 2qyh s ASP 142 Ca -0.04 2.11 -0.01 0.00 0.71 0.00 0.00 52.55 55.32 2qyh s ASP 142 Cb -0.07 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.25 2qyh s ASP 142 CO 0.00 -0.50 -0.10 -0.63 0.21 0.00 0.00 175.17 174.16 2qyh s ILE 143 N 0.94 3.37 -0.58 0.77 -1.09 -1.26 -4.58 121.20 118.77 2qyh s ILE 143 Ca 0.59 -0.56 0.18 0.00 -2.23 0.00 0.00 60.65 58.63 2qyh s ILE 143 Cb -0.31 -2.42 -0.23 0.00 -1.58 0.00 0.00 42.46 37.92 2qyh s ILE 143 CO 0.30 0.53 0.65 -1.22 -1.23 0.00 0.00 174.94 173.98 2qyh n TYR 144 N 3.20 0.00 -3.59 3.97 4.02 -1.26 0.65 117.16 124.15 2qyh n TYR 144 Ca -0.18 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.62 2qyh n TYR 144 Cb 0.53 -0.14 -0.05 0.00 -0.02 0.00 0.00 39.34 39.66 2qyh n TYR 144 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 2qyh s GLN 145 N -2.89 0.50 0.27 -0.72 0.74 -1.26 -4.65 119.66 111.65 2qyh s GLN 145 Ca 0.02 0.11 0.02 0.00 0.05 0.00 0.00 55.36 55.56 2qyh s GLN 145 Cb 0.13 0.24 -0.05 0.00 1.10 0.00 0.00 33.01 34.43 2qyh s GLN 145 CO 0.75 -0.16 0.09 0.00 -0.55 0.00 0.00 175.29 175.43 2qyh s ALA 146 N -1.16 1.83 -0.09 1.58 0.00 -1.04 -4.71 121.76 118.17 2qyh s ALA 146 Ca 0.00 -1.88 0.02 0.00 0.00 0.00 0.00 51.96 50.11 2qyh s ALA 146 Cb -0.01 1.00 0.01 0.00 0.00 0.00 0.00 23.12 24.13 2qyh s ALA 146 CO -0.00 -0.44 -0.16 -0.51 0.00 0.00 0.00 175.76 174.65 2qyh s LEU 147 N -3.34 1.76 -0.17 0.00 1.43 -0.02 -0.65 118.68 117.69 2qyh s LEU 147 Ca 0.37 -0.41 -0.06 0.00 -1.03 0.00 0.00 54.13 53.00 2qyh s LEU 147 Cb 0.08 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 2qyh s LEU 147 CO 0.14 0.04 0.03 -0.22 0.23 0.00 0.00 176.35 176.57 2qyh s LEU 148 N 0.79 3.61 -0.45 1.79 2.96 -0.48 -1.11 118.68 125.79 2qyh s LEU 148 Ca -0.11 0.01 -0.10 0.00 -0.22 0.00 0.00 54.13 53.71 2qyh s LEU 148 Cb -0.16 -1.90 0.10 0.00 0.50 0.00 0.00 46.19 44.73 2qyh s LEU 148 CO 0.02 0.17 0.31 -0.36 -1.32 0.00 0.00 176.35 175.17 2qyh s PHE 149 N 0.36 3.36 0.10 5.38 0.40 -0.15 -0.88 117.98 126.55 2qyh s PHE 149 Ca 0.00 -1.62 -0.26 0.00 -0.60 0.00 0.00 56.93 54.45 2qyh s PHE 149 Cb -0.13 -3.23 0.08 0.00 0.51 0.00 0.00 43.02 40.24 2qyh s PHE 149 CO 0.01 -0.91 0.88 0.00 0.70 0.00 0.00 175.22 175.90 2qyh s ARG 151 N -3.30 2.97 0.58 0.00 0.52 -1.26 -3.55 118.95 114.92 2qyh s ARG 151 Ca 0.08 -0.06 0.31 0.00 -0.52 0.00 0.00 55.73 55.54 2qyh s ARG 151 Cb -0.01 -2.31 1.79 0.00 0.52 0.00 0.00 34.95 34.93 2qyh s ARG 151 CO -0.04 -0.62 2.22 0.00 0.02 0.00 0.00 175.30 176.89 2qyh h ALA 152 N -0.08 1.41 0.00 2.13 0.00 -1.92 -1.71 119.26 119.08 2qyh h ALA 152 Ca -0.46 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2qyh h ALA 152 Cb 1.25 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2qyh h ALA 152 CO 0.60 0.04 -0.01 0.93 0.00 0.00 0.00 179.25 180.81 2qyh h GLU 153 N 0.00 0.00 -0.25 0.00 3.07 -1.95 -3.25 114.58 112.20 2qyh h GLU 153 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2qyh h GLU 153 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 2qyh h GLU 153 CO 0.00 0.01 0.00 -0.85 -1.40 0.00 0.00 179.01 176.77 2qyh n GLU 154 N -3.10 2.73 0.05 2.33 0.28 -0.65 -4.69 120.64 117.59 2qyh n GLU 154 Ca 0.01 -1.86 -0.04 0.00 -0.16 0.00 0.00 57.16 55.12 2qyh n GLU 154 Cb 0.35 -1.20 -0.09 0.00 1.43 0.00 0.00 31.44 31.94 2qyh n GLU 154 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 2qyh h GLU 155 N 1.54 0.00 -0.84 3.44 4.11 -1.58 -3.40 114.58 117.84 2qyh h GLU 155 Ca 0.00 0.00 0.13 0.00 0.07 0.00 0.00 59.36 59.56 2qyh h GLU 155 Cb 0.65 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.77 2qyh h GLU 155 CO 0.00 0.60 -0.34 -1.91 0.07 0.00 0.00 179.01 177.43 2qyh n GLU 156 N -3.14 -0.21 -0.10 1.06 0.00 -1.26 -1.09 120.64 115.91 2qyh n GLU 156 Ca -0.06 1.29 -0.06 0.00 0.00 0.00 0.00 57.16 58.34 2qyh n GLU 156 Cb 0.90 -1.92 0.00 0.00 0.00 0.00 0.00 31.44 30.42 2qyh n GLU 156 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 2qyh h PRO 157 N 0.00 0.01 -0.31 5.31 0.11 -1.96 0.21 132.00 135.38 2qyh h PRO 157 Ca 0.28 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.40 2qyh h PRO 157 Cb 0.49 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 2qyh h PRO 157 CO -0.83 0.01 0.18 1.88 -0.21 0.00 0.00 178.00 179.03 2qyh h TYR 158 N 0.01 0.34 -0.32 0.65 0.05 -1.38 0.92 116.97 117.24 2qyh h TYR 158 Ca 0.16 0.01 0.05 0.00 0.05 0.00 0.00 58.73 59.00 2qyh h TYR 158 Cb 0.25 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 37.83 2qyh h TYR 158 CO -0.30 0.20 0.05 0.28 -1.05 0.00 0.00 178.16 177.34 2qyh h VAL 159 N 0.37 0.83 -0.22 -2.88 2.07 -0.82 -0.82 116.25 114.78 2qyh h VAL 159 Ca 0.12 -0.05 -0.10 0.00 0.82 0.00 0.00 66.70 67.48 2qyh h VAL 159 Cb -0.01 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2qyh h VAL 159 CO -0.05 0.03 -0.27 0.03 0.02 0.00 0.00 177.57 177.33 2qyh h ARG 160 N 0.16 0.57 0.00 1.57 2.47 -0.46 -3.27 114.38 115.42 2qyh h ARG 160 Ca 0.15 -0.32 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 2qyh h ARG 160 Cb 0.18 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 2qyh h ARG 160 CO -0.21 0.91 0.00 0.09 0.56 0.00 0.00 179.97 181.32 2qyh n ASN 161 N -4.35 0.48 -3.33 7.04 3.02 0.31 -4.27 115.26 114.16 2qyh n ASN 161 Ca -0.05 0.56 -0.26 0.00 -0.03 0.00 0.00 54.58 54.81 2qyh n ASN 161 Cb 0.45 -0.69 -0.08 0.00 -0.61 0.00 0.00 39.78 38.86 2qyh n ASN 161 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2qyh n TYR 162 N -1.97 1.05 0.81 3.10 4.01 -0.32 -4.91 117.16 118.93 2qyh n TYR 162 Ca 0.05 -3.77 0.08 0.00 -0.16 0.00 0.00 57.90 54.10 2qyh n TYR 162 Cb 0.34 -0.37 0.42 0.00 -0.31 0.00 0.00 39.34 39.42 2qyh n TYR 162 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2qyh n PRO 163 N 1.42 0.28 0.04 -0.72 -0.04 -1.25 -1.97 135.00 132.76 2qyh n PRO 163 Ca 0.25 0.11 0.13 0.00 -0.04 0.00 0.00 63.50 63.94 2qyh n PRO 163 Cb 0.48 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.81 2qyh n PRO 163 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2qyh n GLU 164 N -1.23 0.13 -4.35 0.54 0.00 -1.26 -4.70 120.64 109.77 2qyh n GLU 164 Ca 0.09 0.07 -0.25 0.00 0.00 0.00 0.00 57.16 57.07 2qyh n GLU 164 Cb 0.11 -1.61 -0.09 0.00 0.00 0.00 0.00 31.44 29.85 2qyh n GLU 164 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2qyh s PHE 165 N -3.06 2.54 -0.13 -1.84 0.08 -0.83 -0.78 117.98 113.95 2qyh s PHE 165 Ca 0.11 -0.44 -0.00 0.00 0.12 0.00 0.00 56.93 56.72 2qyh s PHE 165 Cb 0.16 -1.47 0.03 0.00 -0.57 0.00 0.00 43.02 41.16 2qyh s PHE 165 CO 0.63 0.49 -0.10 0.50 -0.10 0.00 0.00 175.22 176.64 2qyh s ARG 166 N -3.71 1.87 -0.31 0.44 6.06 0.28 -4.40 118.95 119.17 2qyh s ARG 166 Ca 0.34 -0.41 -0.15 0.00 -2.50 0.00 0.00 55.73 53.01 2qyh s ARG 166 Cb -0.00 -1.86 -0.02 0.00 0.06 0.00 0.00 34.95 33.13 2qyh s ARG 166 CO 0.19 -0.27 0.39 -0.06 -2.50 0.00 0.00 175.30 173.05 2qyh s PHE 167 N 1.60 3.22 -0.25 5.12 0.40 -1.26 -1.50 117.98 125.31 2qyh s PHE 167 Ca 0.05 0.18 0.03 0.00 -0.60 0.00 0.00 56.93 56.59 2qyh s PHE 167 Cb -0.13 -2.67 0.06 0.00 0.51 0.00 0.00 43.02 40.79 2qyh s PHE 167 CO -0.09 -0.37 -0.11 0.08 0.70 0.00 0.00 175.22 175.43 2qyh s VAL 168 N 2.10 2.12 0.33 -0.44 1.01 -0.65 -4.93 120.40 119.95 2qyh s VAL 168 Ca 0.14 -1.57 -0.28 0.00 0.00 0.00 0.00 61.98 60.27 2qyh s VAL 168 Cb -0.16 -2.22 -0.09 0.00 0.00 0.00 0.00 36.38 33.90 2qyh s VAL 168 CO 0.11 0.00 1.19 -0.60 0.00 0.00 0.00 175.10 175.81 2qyh s ARG 169 N 1.13 4.37 0.00 2.72 3.52 -1.26 -0.64 118.95 128.79 2qyh s ARG 169 Ca -0.08 1.95 0.00 0.00 -0.13 0.00 0.00 55.73 57.47 2qyh s ARG 169 Cb -0.19 -2.99 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 2qyh s ARG 169 CO -0.06 -0.08 0.01 -2.67 -0.81 0.00 0.00 175.30 171.69 2qyh n TRP 170 N 0.72 0.00 -3.68 5.12 4.27 -1.19 -4.91 117.44 117.78 2qyh n TRP 170 Ca 0.01 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.49 2qyh n TRP 170 Cb 0.44 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.33 2qyh n TRP 170 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 2qyh s HIS 171 N -0.04 -0.25 0.51 -2.67 5.04 -1.06 -5.02 115.29 111.80 2qyh s HIS 171 Ca 0.00 0.23 0.28 0.00 -1.54 0.00 0.00 55.06 54.03 2qyh s HIS 171 Cb 0.00 0.20 1.40 0.00 0.04 0.00 0.00 32.58 34.22 2qyh s HIS 171 CO 0.00 -0.55 1.88 -0.44 -2.34 0.00 0.00 174.74 173.29 2qyh h ASP 172 N 3.10 0.09 0.00 9.88 3.45 -1.99 -2.85 116.42 128.10 2qyh h ASP 172 Ca -0.31 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.15 2qyh h ASP 172 Cb 1.20 -0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.94 2qyh h ASP 172 CO 0.43 0.03 -0.27 1.33 -1.57 0.00 0.00 179.24 179.20 2qyh n VAL 173 N -4.33 1.27 -3.71 -1.35 0.24 -1.26 -4.27 118.33 104.93 2qyh n VAL 173 Ca 0.19 -1.66 -0.13 0.00 -2.04 0.00 0.00 64.34 60.70 2qyh n VAL 173 Cb 0.90 0.05 -0.09 0.00 -1.47 0.00 0.00 33.84 33.23 2qyh n VAL 173 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2qyh s SER 174 N -2.33 -0.52 0.05 -1.34 0.15 -1.08 -2.08 113.70 106.55 2qyh s SER 174 Ca 0.24 0.98 0.03 0.00 0.70 0.00 0.00 55.95 57.90 2qyh s SER 174 Cb 0.22 0.98 -0.02 0.00 -1.71 0.00 0.00 66.02 65.48 2qyh s SER 174 CO -0.00 -0.17 -0.10 0.28 1.20 0.00 0.00 173.24 174.44 2qyh s THR 175 N 0.41 0.76 0.41 6.45 -1.32 -0.06 -2.56 115.64 119.72 2qyh s THR 175 Ca -0.01 -1.06 -0.22 0.00 -1.21 0.00 0.00 61.69 59.19 2qyh s THR 175 Cb -0.04 -0.76 -0.11 0.00 -1.51 0.00 0.00 72.50 70.08 2qyh s THR 175 CO -0.01 -0.25 0.95 -1.81 -2.21 0.00 0.00 174.62 171.29 2qyh s ASP 176 N -1.44 7.02 -0.31 8.08 1.01 0.19 -1.39 116.67 129.82 2qyh s ASP 176 Ca -0.05 1.72 0.04 0.00 0.71 0.00 0.00 52.55 54.97 2qyh s ASP 176 Cb -0.09 -2.55 0.09 0.00 1.01 0.00 0.00 42.92 41.38 2qyh s ASP 176 CO 0.01 -0.30 -0.00 -0.69 0.21 0.00 0.00 175.17 174.40 2qyh s VAL 177 N -2.06 2.25 0.31 -1.27 1.01 0.18 -1.63 120.40 119.18 2qyh s VAL 177 Ca 0.60 -2.12 0.09 0.00 0.00 0.00 0.00 61.98 60.55 2qyh s VAL 177 Cb -0.11 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 2qyh s VAL 177 CO 0.15 -0.42 -0.00 -0.76 0.00 0.00 0.00 175.10 174.08 2qyh s LEU 178 N 0.96 3.04 0.35 3.92 1.43 -0.56 -2.50 118.68 125.32 2qyh s LEU 178 Ca 0.05 -0.86 -0.26 0.00 -1.03 0.00 0.00 54.13 52.03 2qyh s LEU 178 Cb -0.19 -1.49 -0.09 0.00 0.03 0.00 0.00 46.19 44.45 2qyh s LEU 178 CO -0.07 -0.14 1.08 -2.16 0.23 0.00 0.00 176.35 175.30 2qyh s PRO 179 N -3.70 4.35 0.26 1.29 0.04 -1.26 0.99 135.00 136.97 2qyh s PRO 179 Ca 0.34 1.67 -0.31 0.00 0.04 0.00 0.00 61.00 62.74 2qyh s PRO 179 Cb -0.03 -2.83 -0.12 0.00 0.04 0.00 0.00 34.50 31.56 2qyh s PRO 179 CO 0.19 -0.01 1.61 0.00 0.04 0.00 0.00 177.00 178.83 2qyh n ALA 180 N 0.48 2.43 -0.01 8.56 0.00 0.04 -1.22 120.51 130.78 2qyh n ALA 180 Ca 0.02 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2qyh n ALA 180 Cb 0.47 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.47 2qyh n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qyh n GLY 181 N 2.66 0.25 3.83 0.00 0.00 -1.26 -4.96 105.19 105.71 2qyh n GLY 181 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 2qyh n GLY 181 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qyh s GLY 182 N -1.69 2.31 0.01 -0.02 0.00 -0.36 -4.99 107.32 102.59 2qyh s GLY 182 Ca 0.00 -0.41 -0.28 0.00 0.00 0.00 0.00 44.72 44.03 2qyh s GLY 182 CO 0.00 0.02 0.76 -1.35 0.00 0.00 0.00 173.10 172.54 2qyh s SER 183 N -0.73 -0.50 0.46 1.64 1.04 -0.62 -4.89 113.70 110.09 2qyh s SER 183 Ca 0.19 0.24 0.22 0.00 0.48 0.00 0.00 55.95 57.09 2qyh s SER 183 Cb -0.14 0.48 1.10 0.00 0.10 0.00 0.00 66.02 67.56 2qyh s SER 183 CO 0.08 -0.68 1.94 0.07 0.98 0.00 0.00 173.24 175.62 2qyh h LYS 184 N 2.34 0.00 -0.23 4.02 2.10 -1.85 -0.73 116.57 122.22 2qyh h LYS 184 Ca -0.26 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.28 2qyh h LYS 184 Cb 1.23 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.54 2qyh h LYS 184 CO 0.35 0.22 -0.32 0.00 -2.00 0.00 0.00 179.45 177.70 2qyh h ALA 185 N 1.78 1.03 -0.55 0.07 0.00 -1.92 0.89 119.26 120.56 2qyh h ALA 185 Ca -0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 2qyh h ALA 185 Cb 0.53 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2qyh h ALA 185 CO 0.03 0.59 -0.08 1.49 0.00 0.00 0.00 179.25 181.28 2qyh h GLU 186 N 0.40 1.01 -0.52 0.00 4.57 -1.64 -0.67 114.58 117.74 2qyh h GLU 186 Ca 0.05 -0.36 -0.07 0.00 -1.18 0.00 0.00 59.36 57.80 2qyh h GLU 186 Cb 0.76 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.26 2qyh h GLU 186 CO 0.06 1.04 0.04 0.78 -1.18 0.00 0.00 179.01 179.75 2qyh h GLY 187 N 0.96 0.91 1.41 1.92 0.00 -0.44 -2.27 103.07 105.56 2qyh h GLY 187 Ca 0.15 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 2qyh h GLY 187 CO 0.04 0.55 0.01 -2.22 0.00 0.00 0.00 176.54 174.92 2qyh h ILE 188 N 0.79 1.23 -0.10 2.60 2.04 -0.28 -3.43 117.51 120.36 2qyh h ILE 188 Ca 0.16 -0.94 -0.48 0.00 1.00 0.00 0.00 64.86 64.60 2qyh h ILE 188 Cb 0.42 0.89 0.05 0.00 -0.74 0.00 0.00 36.82 37.44 2qyh h ILE 188 CO 0.01 0.33 1.46 -1.14 0.00 0.00 0.00 178.15 178.81 2qyh n ARG 189 N -4.23 0.88 0.00 2.37 0.63 -0.31 -4.58 116.66 111.41 2qyh n ARG 189 Ca 0.02 -1.70 0.00 0.00 -0.92 0.00 0.00 57.85 55.25 2qyh n ARG 189 Cb 0.28 -3.10 0.00 0.00 0.45 0.00 0.00 32.46 30.09 2qyh n ARG 189 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 2qyh n ILE 192 N 7.10 0.00 -0.01 5.15 -5.35 -1.26 -4.61 119.36 120.38 2qyh n ILE 192 Ca 0.47 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.82 2qyh n ILE 192 Cb 0.43 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.23 2qyh n ILE 192 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2qyh h GLU 193 N 0.03 -0.01 -0.66 6.28 5.08 -1.81 0.17 114.58 123.66 2qyh h GLU 193 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2qyh h GLU 193 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2qyh h GLU 193 CO 0.00 0.44 0.20 0.87 -1.00 0.00 0.00 179.01 179.52 2qyh h LYS 194 N -0.47 1.01 0.00 2.33 1.79 -1.96 -2.28 116.57 117.00 2qyh h LYS 194 Ca -0.00 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 2qyh h LYS 194 Cb 0.46 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2qyh h LYS 194 CO 0.00 0.87 0.00 -0.07 -1.08 0.00 0.00 179.45 179.17 2qyh h LEU 195 N 0.98 0.00 -1.01 2.94 3.38 -1.95 -3.47 115.31 116.18 2qyh h LEU 195 Ca 0.22 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 2qyh h LEU 195 Cb 0.29 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.07 2qyh h LEU 195 CO -0.01 0.00 -0.14 0.61 0.09 0.00 0.00 178.44 178.99 2qyh n GLY 196 N 0.88 0.64 3.47 0.83 0.00 0.03 -5.02 105.19 106.01 2qyh n GLY 196 Ca 0.04 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 2qyh n GLY 196 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qyh s ILE 197 N -3.07 3.94 0.42 -0.61 1.01 0.39 -4.80 121.20 118.48 2qyh s ILE 197 Ca 0.12 -0.33 -0.23 0.00 0.00 0.00 0.00 60.65 60.21 2qyh s ILE 197 Cb -0.05 -2.76 -0.09 0.00 0.01 0.00 0.00 42.46 39.57 2qyh s ILE 197 CO 0.15 0.45 1.06 -1.81 0.00 0.00 0.00 174.94 174.79 2qyh s ASP 198 N 0.78 6.62 0.33 3.58 1.11 -1.26 -4.60 116.67 123.23 2qyh s ASP 198 Ca -0.00 2.05 0.09 0.00 0.18 0.00 0.00 52.55 54.87 2qyh s ASP 198 Cb -0.14 -2.58 0.83 0.00 1.07 0.00 0.00 42.92 42.09 2qyh s ASP 198 CO 0.02 -0.59 1.79 0.11 1.18 0.00 0.00 175.17 177.69 2qyh h LYS 199 N 2.30 0.66 0.00 8.23 1.57 -1.96 0.22 116.57 127.59 2qyh h LYS 199 Ca -0.49 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 2qyh h LYS 199 Cb 1.22 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2qyh h LYS 199 CO 0.62 0.43 0.22 1.57 -0.57 0.00 0.00 179.45 181.72 2qyh h LYS 200 N 0.68 0.00 -0.22 3.15 2.10 -1.93 0.26 116.57 120.61 2qyh h LYS 200 Ca 0.56 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.21 2qyh h LYS 200 Cb 0.99 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 2qyh h LYS 200 CO -0.33 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.87 2qyh n ASP 201 N -2.41 3.03 -4.56 7.07 8.00 0.76 -4.85 116.55 123.60 2qyh n ASP 201 Ca -0.01 -2.47 -0.34 0.00 0.71 0.00 0.00 54.79 52.67 2qyh n ASP 201 Cb 0.25 -0.32 -0.11 0.00 -0.02 0.00 0.00 41.12 40.92 2qyh n ASP 201 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qyh s VAL 202 N -1.83 4.38 0.21 2.53 1.01 0.88 -2.08 120.40 125.50 2qyh s VAL 202 Ca 0.27 -0.18 0.11 0.00 0.00 0.00 0.00 61.98 62.18 2qyh s VAL 202 Cb 0.19 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 2qyh s VAL 202 CO 0.09 0.46 -0.21 -0.31 0.00 0.00 0.00 175.10 175.13 2qyh s TYR 203 N 0.54 2.13 -0.14 5.22 2.02 -0.14 -1.86 117.35 125.11 2qyh s TYR 203 Ca 0.01 -0.40 -0.17 0.00 -0.37 0.00 0.00 57.07 56.14 2qyh s TYR 203 Cb -0.13 -1.01 0.04 0.00 -0.40 0.00 0.00 41.96 40.46 2qyh s TYR 203 CO 0.02 0.51 0.45 0.00 -1.57 0.00 0.00 175.55 174.95 2qyh s ALA 204 N -2.10 -1.11 -0.15 3.71 0.00 -0.95 -0.88 121.76 120.27 2qyh s ALA 204 Ca 0.22 1.13 0.01 0.00 0.00 0.00 0.00 51.96 53.31 2qyh s ALA 204 Cb -0.06 -0.56 -0.00 0.00 0.00 0.00 0.00 23.12 22.50 2qyh s ALA 204 CO 0.10 -0.23 -0.16 -0.06 0.00 0.00 0.00 175.76 175.40 2qyh s PHE 205 N -0.12 2.76 0.21 0.00 0.08 -0.33 0.07 117.98 120.64 2qyh s PHE 205 Ca -0.03 -1.05 -0.01 0.00 0.12 0.00 0.00 56.93 55.96 2qyh s PHE 205 Cb -0.03 -1.87 -0.04 0.00 -0.57 0.00 0.00 43.02 40.51 2qyh s PHE 205 CO 0.02 -0.47 0.13 0.20 -0.10 0.00 0.00 175.22 175.00 2qyh s GLY 206 N 0.76 1.48 0.00 4.36 0.00 0.08 -2.70 107.32 111.30 2qyh s GLY 206 Ca -0.07 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 42.94 2qyh s GLY 206 CO 0.01 -1.41 0.00 1.34 0.00 0.00 0.00 173.10 173.04 2qyh n ASP 207 N -0.32 0.15 -4.93 1.64 2.03 -1.26 -4.29 116.55 109.57 2qyh n ASP 207 Ca 0.02 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.13 2qyh n ASP 207 Cb 0.66 0.01 -0.01 0.00 -0.72 0.00 0.00 41.12 41.06 2qyh n ASP 207 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2qyh s GLY 208 N -2.08 2.07 0.55 0.27 0.00 -1.26 -3.37 107.32 103.49 2qyh s GLY 208 Ca 0.00 -1.80 0.26 0.00 0.00 0.00 0.00 44.72 43.17 2qyh s GLY 208 CO 0.00 -1.65 2.01 1.41 0.00 0.00 0.00 173.10 174.87 2qyh h LEU 209 N 0.83 0.00 0.00 0.66 3.38 -1.98 0.29 115.31 118.49 2qyh h LEU 209 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2qyh h LEU 209 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2qyh h LEU 209 CO 0.52 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.59 2qyh n ASN 210 N -4.21 0.00 -0.52 -0.43 6.94 -1.26 -2.42 115.26 113.36 2qyh n ASN 210 Ca 0.08 0.01 0.11 0.00 -0.02 0.00 0.00 54.58 54.76 2qyh n ASN 210 Cb 0.54 -0.30 0.06 0.00 -2.36 0.00 0.00 39.78 37.72 2qyh n ASN 210 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2qyh n ASP 211 N -1.30 2.01 -0.02 0.53 8.00 0.10 -4.53 116.55 121.35 2qyh n ASP 211 Ca 0.10 -1.50 -0.11 0.00 0.71 0.00 0.00 54.79 54.00 2qyh n ASP 211 Cb 0.18 0.38 -0.04 0.00 -0.02 0.00 0.00 41.12 41.61 2qyh n ASP 211 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2qyh h ILE 212 N 2.55 1.02 0.00 0.53 2.04 -1.54 -0.56 117.51 121.55 2qyh h ILE 212 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2qyh h ILE 212 Cb 0.75 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2qyh h ILE 212 CO 0.00 0.03 0.00 1.21 0.00 0.00 0.00 178.15 179.39 2qyh n GLU 213 N -5.01 0.00 0.00 2.37 2.13 -1.26 -1.40 120.64 117.47 2qyh n GLU 213 Ca -0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.78 2qyh n GLU 213 Cb 0.03 -1.09 0.00 0.00 0.27 0.00 0.00 31.44 30.65 2qyh n GLU 213 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2qyh n LEU 215 N 0.59 0.00 0.15 4.31 4.32 -0.22 -1.50 117.00 124.65 2qyh n LEU 215 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 56.02 2qyh n LEU 215 Cb 0.00 0.00 0.10 0.00 -1.62 0.00 0.00 43.42 41.90 2qyh n LEU 215 CO 0.00 0.00 0.51 0.77 -1.22 0.00 0.00 177.39 177.45 2qyh h SER 216 N 0.00 0.00 0.10 -1.43 4.64 -1.44 -3.32 113.55 112.10 2qyh h SER 216 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 2qyh h SER 216 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.11 2qyh h SER 216 CO 0.00 0.48 -1.00 0.15 -0.87 0.00 0.00 176.83 175.60 2qyh h PHE 217 N 0.00 0.81 -4.26 4.77 3.04 -1.51 -3.47 116.94 116.32 2qyh h PHE 217 Ca -0.00 -0.51 -0.50 0.00 3.98 0.00 0.00 57.97 60.93 2qyh h PHE 217 Cb 1.28 -0.06 0.12 0.00 2.56 0.00 0.00 35.95 39.85 2qyh h PHE 217 CO 0.00 1.36 0.32 0.14 -2.02 0.00 0.00 178.31 178.11 2qyh s VAL 218 N -2.90 3.29 0.15 1.41 -7.23 -1.25 -4.95 120.40 108.92 2qyh s VAL 218 Ca -0.11 0.42 -0.18 0.00 -1.81 0.00 0.00 61.98 60.29 2qyh s VAL 218 Cb 0.04 -2.99 0.03 0.00 0.56 0.00 0.00 36.38 34.02 2qyh s VAL 218 CO 0.88 -0.55 1.69 1.23 -0.31 0.00 0.00 175.10 178.05 2qyh h GLY 219 N -1.13 0.24 -7.45 2.32 0.00 -0.98 -3.38 103.07 92.69 2qyh h GLY 219 Ca -0.45 0.09 -0.60 0.00 0.00 0.00 0.00 47.33 46.36 2qyh h GLY 219 CO 0.54 -0.11 -0.76 -1.59 0.00 0.00 0.00 176.54 174.63 2qyh s THR 220 N -6.21 1.40 -0.01 4.70 2.01 -0.78 -4.97 115.64 111.78 2qyh s THR 220 Ca -0.14 -1.49 -0.20 0.00 0.31 0.00 0.00 61.69 60.17 2qyh s THR 220 Cb 0.12 -1.90 -0.05 0.00 0.01 0.00 0.00 72.50 70.68 2qyh s THR 220 CO 0.70 -0.42 0.59 -0.83 -0.69 0.00 0.00 174.62 173.96 2qyh s GLY 221 N 1.39 2.60 -0.12 4.40 0.00 -1.25 -2.24 107.32 112.10 2qyh s GLY 221 Ca 0.04 0.02 0.01 0.00 0.00 0.00 0.00 44.72 44.79 2qyh s GLY 221 CO -0.13 0.74 -0.16 0.14 0.00 0.00 0.00 173.10 173.69 2qyh s VAL 222 N -0.17 1.59 0.00 1.40 1.01 0.11 -0.01 120.40 124.33 2qyh s VAL 222 Ca 0.31 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.60 2qyh s VAL 222 Cb -0.18 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.74 2qyh s VAL 222 CO 0.17 0.46 0.00 0.00 0.00 0.00 0.00 175.10 175.73 2qyh n ALA 223 N 4.33 0.00 0.05 5.51 0.00 -0.76 -0.74 120.51 128.90 2qyh n ALA 223 Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.03 2qyh n ALA 223 Cb 0.51 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.81 2qyh n ALA 223 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2qyh h GLY 225 N 0.00 0.40 -3.78 0.00 0.00 0.84 -1.40 103.07 99.13 2qyh h GLY 225 Ca 0.00 -1.02 -0.53 0.00 0.00 0.00 0.00 47.33 45.79 2qyh h GLY 225 CO 0.00 0.89 0.59 0.70 0.00 0.00 0.00 176.54 178.72 2qyh n ASN 226 N -3.73 4.67 -4.84 0.19 5.03 -1.26 -4.77 115.26 110.56 2qyh n ASN 226 Ca -0.24 -3.68 -0.31 0.00 0.87 0.00 0.00 54.58 51.21 2qyh n ASN 226 Cb 1.01 -0.84 0.02 0.00 -1.02 0.00 0.00 39.78 38.95 2qyh n ASN 226 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2qyh s ALA 227 N -3.44 2.88 0.58 5.41 0.00 -1.26 -5.00 121.76 120.92 2qyh s ALA 227 Ca 0.58 0.05 -0.20 0.00 0.00 0.00 0.00 51.96 52.38 2qyh s ALA 227 Cb 0.48 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 2qyh s ALA 227 CO 0.06 -0.89 1.33 -1.58 0.00 0.00 0.00 175.76 174.68 2qyh s HIS 228 N -3.01 2.23 0.45 0.00 2.46 -1.22 -4.80 115.29 111.40 2qyh s HIS 228 Ca 0.57 1.42 0.28 0.00 0.47 0.00 0.00 55.06 57.80 2qyh s HIS 228 Cb -0.13 -3.75 1.53 0.00 -0.13 0.00 0.00 32.58 30.11 2qyh s HIS 228 CO 0.51 -2.86 2.11 0.93 -2.47 0.00 0.00 174.74 172.96 2qyh h GLU 229 N 1.16 0.00 0.00 2.88 5.08 -1.95 -0.41 114.58 121.34 2qyh h GLU 229 Ca -0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2qyh h GLU 229 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2qyh h GLU 229 CO 0.56 0.09 0.00 0.93 -1.00 0.00 0.00 179.01 179.59 2qyh h GLU 230 N 0.00 0.00 0.14 2.33 4.39 -1.99 -0.42 114.58 119.03 2qyh h GLU 230 Ca -0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 2qyh h GLU 230 Cb 0.27 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2qyh h GLU 230 CO 0.01 0.00 -1.35 0.28 -1.16 0.00 0.00 179.01 176.79 2qyh h VAL 231 N 0.00 1.13 -0.14 3.13 2.07 -1.45 -3.33 116.25 117.66 2qyh h VAL 231 Ca 0.00 -2.47 -0.07 0.00 0.82 0.00 0.00 66.70 64.98 2qyh h VAL 231 Cb 0.54 2.85 -0.01 0.00 -1.52 0.00 0.00 31.29 33.14 2qyh h VAL 231 CO 0.00 0.74 -0.24 0.11 0.02 0.00 0.00 177.57 178.20 2qyh h LYS 232 N -0.22 0.25 -0.52 1.57 1.57 -1.08 -2.70 116.57 115.45 2qyh h LYS 232 Ca -0.27 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.47 2qyh h LYS 232 Cb 1.82 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 34.07 2qyh h LYS 232 CO 0.11 0.48 0.27 -0.09 -0.57 0.00 0.00 179.45 179.66 2qyh h ARG 233 N 0.23 0.52 -0.00 3.15 2.43 -1.19 -2.29 114.38 117.23 2qyh h ARG 233 Ca 0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2qyh h ARG 233 Cb 0.55 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2qyh h ARG 233 CO 0.04 0.34 -0.16 1.33 -1.51 0.00 0.00 179.97 180.01 2qyh n VAL 234 N -4.86 0.00 -2.64 0.20 0.24 -1.13 -4.87 118.33 105.26 2qyh n VAL 234 Ca 0.04 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.34 61.93 2qyh n VAL 234 Cb 0.12 -0.18 -0.05 0.00 -1.47 0.00 0.00 33.84 32.26 2qyh n VAL 234 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qyh s ALA 235 N -2.81 3.35 -0.76 2.33 0.00 -0.86 -4.41 121.76 118.60 2qyh s ALA 235 Ca 0.19 0.72 0.26 0.00 0.00 0.00 0.00 51.96 53.13 2qyh s ALA 235 Cb 0.19 -3.25 0.74 0.00 0.00 0.00 0.00 23.12 20.80 2qyh s ALA 235 CO 0.55 0.06 1.67 -0.25 0.00 0.00 0.00 175.76 177.79 2qyh n ASP 236 N 1.30 0.66 -3.63 0.00 8.00 0.98 -4.81 116.55 119.05 2qyh n ASP 236 Ca -0.01 0.41 -0.11 0.00 0.71 0.00 0.00 54.79 55.79 2qyh n ASP 236 Cb 0.46 -0.47 -0.07 0.00 -0.02 0.00 0.00 41.12 41.02 2qyh n ASP 236 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2qyh s PHE 237 N -3.10 -0.90 -0.21 1.24 2.19 -0.91 -4.97 117.98 111.33 2qyh s PHE 237 Ca 0.10 1.98 -0.04 0.00 0.33 0.00 0.00 56.93 59.30 2qyh s PHE 237 Cb 0.14 0.43 -0.02 0.00 -1.31 0.00 0.00 43.02 42.26 2qyh s PHE 237 CO 0.62 -0.44 -0.02 0.08 1.83 0.00 0.00 175.22 177.30 2qyh s VAL 238 N 0.94 3.72 0.37 3.12 1.01 -1.26 -1.82 120.40 126.47 2qyh s VAL 238 Ca -0.04 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.61 2qyh s VAL 238 Cb -0.05 -2.69 0.06 0.00 0.00 0.00 0.00 36.38 33.71 2qyh s VAL 238 CO -0.09 0.42 0.51 1.07 0.00 0.00 0.00 175.10 177.02 2qyh n THR 239 N 4.45 0.00 -1.15 3.92 5.66 -0.53 -4.93 114.28 121.70 2qyh n THR 239 Ca -0.17 -1.23 -0.29 0.00 -3.05 0.00 0.00 64.05 59.31 2qyh n THR 239 Cb 0.51 -0.69 0.18 0.00 -1.55 0.00 0.00 70.33 68.78 2qyh n THR 239 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2qyh s LYS 240 N -3.68 0.33 0.82 1.09 1.02 -1.26 -0.65 119.74 117.41 2qyh s LYS 240 Ca 0.39 0.51 -0.11 0.00 0.02 0.00 0.00 55.97 56.77 2qyh s LYS 240 Cb -0.03 -1.73 0.09 0.00 -0.52 0.00 0.00 37.83 35.64 2qyh s LYS 240 CO 0.25 -2.79 1.14 -2.14 -0.92 0.00 0.00 175.35 170.88 2qyh s PRO 241 N -4.95 1.72 0.42 -1.68 0.02 -1.26 -1.03 135.00 128.23 2qyh s PRO 241 Ca 0.65 1.47 0.17 0.00 0.02 0.00 0.00 61.00 63.31 2qyh s PRO 241 Cb -0.19 -1.81 1.06 0.00 0.02 0.00 0.00 34.50 33.58 2qyh s PRO 241 CO 0.58 -2.10 1.87 -0.24 -0.33 0.00 0.00 177.00 176.78 2qyh h VAL 242 N -1.23 0.72 -0.39 3.83 3.04 -1.92 0.16 116.25 120.45 2qyh h VAL 242 Ca -0.44 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 2qyh h VAL 242 Cb 1.26 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 2qyh h VAL 242 CO 0.47 0.08 0.00 -0.90 -1.01 0.00 0.00 177.57 176.21 2qyh n ASP 243 N -4.51 3.94 -1.96 3.17 5.75 -1.26 -3.86 116.55 117.83 2qyh n ASP 243 Ca 0.18 -2.54 -0.08 0.00 -0.01 0.00 0.00 54.79 52.34 2qyh n ASP 243 Cb 0.64 -0.59 0.06 0.00 -1.03 0.00 0.00 41.12 40.20 2qyh n ASP 243 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qyh n LYS 244 N 0.47 2.19 -2.29 0.11 4.76 -0.01 -4.92 118.16 118.48 2qyh n LYS 244 Ca 0.18 -3.52 -0.19 0.00 -2.87 0.00 0.00 58.31 51.91 2qyh n LYS 244 Cb 0.82 -1.65 -0.02 0.00 -1.84 0.00 0.00 35.03 32.35 2qyh n LYS 244 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2qyh n GLU 245 N -0.58 -1.51 -0.25 1.97 1.02 -1.25 -4.73 120.64 115.32 2qyh n GLU 245 Ca 0.23 0.95 0.03 0.00 -0.02 0.00 0.00 57.16 58.36 2qyh n GLU 245 Cb 0.89 -5.49 0.13 0.00 -0.02 0.00 0.00 31.44 26.95 2qyh n GLU 245 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2qyh h GLY 246 N 0.00 0.73 0.76 0.62 0.00 -1.57 0.34 103.07 103.95 2qyh h GLY 246 Ca -0.45 0.14 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 2qyh h GLY 246 CO 0.54 -0.27 -0.07 -2.22 0.00 0.00 0.00 176.54 174.52 2qyh h ILE 247 N 0.08 1.31 0.02 2.60 2.04 -1.85 -0.94 117.51 120.77 2qyh h ILE 247 Ca 0.38 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 65.15 2qyh h ILE 247 Cb 0.65 1.70 -0.00 0.00 -0.74 0.00 0.00 36.82 38.42 2qyh h ILE 247 CO -0.66 0.32 -0.02 -0.25 0.00 0.00 0.00 178.15 177.54 2qyh h TRP 248 N 0.00 -0.04 -0.31 1.37 2.91 -1.65 -1.59 115.95 116.63 2qyh h TRP 248 Ca 0.04 0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.10 2qyh h TRP 248 Cb 0.53 0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 29.16 2qyh h TRP 248 CO 0.06 -0.03 0.09 -0.92 -1.03 0.00 0.00 178.44 176.61 2qyh h TYR 249 N -0.04 0.15 0.05 2.65 5.03 -0.36 -1.03 116.97 123.42 2qyh h TYR 249 Ca 0.00 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.34 2qyh h TYR 249 Cb 0.04 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.29 2qyh h TYR 249 CO -0.09 0.06 -0.07 0.78 -1.32 0.00 0.00 178.16 177.52 2qyh h GLY 250 N 0.21 -0.13 1.45 1.82 0.00 -1.01 -0.28 103.07 105.13 2qyh h GLY 250 Ca 0.14 0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.62 2qyh h GLY 250 CO -0.16 -0.08 0.23 1.41 0.00 0.00 0.00 176.54 177.94 2qyh h LEU 251 N -0.16 0.17 -0.18 3.11 3.38 -1.06 0.06 115.31 120.64 2qyh h LEU 251 Ca 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 2qyh h LEU 251 Cb 0.16 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2qyh h LEU 251 CO -0.04 0.11 -0.31 0.50 0.09 0.00 0.00 178.44 178.80 2qyh h LYS 252 N 0.20 0.53 -0.57 1.13 1.63 -0.27 0.72 116.57 119.93 2qyh h LYS 252 Ca 0.15 -0.33 -0.07 0.00 -0.85 0.00 0.00 60.65 59.56 2qyh h LYS 252 Cb 0.36 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.00 2qyh h LYS 252 CO -0.03 0.93 0.08 1.96 -3.45 0.00 0.00 179.45 178.95 2qyh h GLN 253 N 0.18 0.96 0.00 1.90 1.08 -0.13 -1.19 115.11 117.90 2qyh h GLN 253 Ca 0.01 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 2qyh h GLN 253 Cb 0.90 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 2qyh h GLN 253 CO 0.07 0.92 0.00 1.28 -0.95 0.00 0.00 178.83 180.15 2qyh n LEU 254 N -4.32 0.00 -2.46 1.46 4.77 -0.08 -4.86 117.00 111.51 2qyh n LEU 254 Ca 0.03 0.05 -0.20 0.00 -0.03 0.00 0.00 56.01 55.86 2qyh n LEU 254 Cb 0.28 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.31 2qyh n LEU 254 CO 0.42 -0.01 -0.23 0.00 -1.33 0.00 0.00 177.39 176.23 2qyh n GLN 255 N -1.05 -2.00 0.11 3.23 6.02 -0.45 -4.83 117.38 118.41 2qyh n GLN 255 Ca 0.16 0.94 -0.00 0.00 -0.01 0.00 0.00 57.00 58.09 2qyh n GLN 255 Cb 0.10 -5.61 -0.02 0.00 1.02 0.00 0.00 30.24 25.73 2qyh n GLN 255 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2qyh h LEU 256 N -0.10 0.00 -7.83 1.08 3.38 -1.10 -3.39 115.31 107.34 2qyh h LEU 256 Ca -0.47 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 56.83 2qyh h LEU 256 Cb 1.34 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.72 2qyh h LEU 256 CO 0.55 0.63 -0.74 -0.63 0.09 0.00 0.00 178.44 178.34 2qyh s ILE 257 N -2.89 2.42 -2.00 1.22 1.01 -0.95 -4.85 121.20 115.16 2qyh s ILE 257 Ca 0.02 -1.86 0.31 0.00 0.00 0.00 0.00 60.65 59.12 2qyh s ILE 257 Cb 0.08 -2.56 0.88 0.00 0.01 0.00 0.00 42.46 40.87 2qyh s ILE 257 CO 0.77 -0.28 2.17 -2.11 0.00 0.00 0.00 174.94 175.49