#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qr1 n VAL 4 N 0.00 0.48 0.16 5.18 3.14 -1.26 -4.40 118.33 121.64 2qr1 n VAL 4 Ca 0.00 -0.29 0.03 0.00 -2.96 0.00 0.00 64.34 61.12 2qr1 n VAL 4 Cb 0.00 -0.81 0.18 0.00 -1.06 0.00 0.00 33.84 32.15 2qr1 n VAL 4 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 2qr1 h GLN 5 N 0.00 0.00 -0.04 1.45 5.75 -1.98 -3.10 115.11 117.20 2qr1 h GLN 5 Ca -0.19 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.21 2qr1 h GLN 5 Cb 1.43 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.98 2qr1 h GLN 5 CO 0.01 0.48 -0.37 0.93 -2.65 0.00 0.00 178.83 177.24 2qr1 h GLU 6 N 0.00 0.32 -0.35 1.69 3.07 -2.01 -3.29 114.58 114.00 2qr1 h GLU 6 Ca -0.00 -0.29 -0.02 0.00 -0.50 0.00 0.00 59.36 58.55 2qr1 h GLU 6 Cb 1.16 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 29.12 2qr1 h GLU 6 CO 0.06 0.96 0.14 1.15 -1.40 0.00 0.00 179.01 179.91 2qr1 h THR 7 N -0.22 1.14 -0.12 1.13 2.02 -1.77 -2.88 112.91 112.21 2qr1 h THR 7 Ca -0.03 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 2qr1 h THR 7 Cb 1.05 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 2qr1 h THR 7 CO 0.07 0.17 0.04 -0.61 0.37 0.00 0.00 175.52 175.56 2qr1 h GLN 8 N 0.50 0.19 -0.40 6.66 4.15 -1.65 -2.66 115.11 121.90 2qr1 h GLN 8 Ca 0.12 -0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.58 2qr1 h GLN 8 Cb 0.11 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.70 2qr1 h GLN 8 CO -0.01 0.32 -0.04 0.87 -1.93 0.00 0.00 178.83 178.04 2qr1 h LYS 9 N 0.02 0.06 0.00 1.69 1.57 -1.58 -0.12 116.57 118.21 2qr1 h LYS 9 Ca 0.04 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2qr1 h LYS 9 Cb 0.21 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2qr1 h LYS 9 CO -0.00 0.04 0.00 0.78 -0.57 0.00 0.00 179.45 179.70 2qr1 h GLY 10 N 0.06 0.00 0.86 3.86 0.00 -1.49 -2.40 103.07 103.96 2qr1 h GLY 10 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.21 2qr1 h GLY 10 CO -0.36 0.00 -1.81 0.00 0.00 0.00 0.00 176.54 174.37 2qr1 h ALA 11 N 2.05 0.63 -0.62 3.60 0.00 -0.91 -3.19 119.26 120.82 2qr1 h ALA 11 Ca 0.00 -1.43 0.03 0.00 0.00 0.00 0.00 54.91 53.51 2qr1 h ALA 11 Cb 0.33 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 2qr1 h ALA 11 CO 0.00 1.47 0.39 -0.07 0.00 0.00 0.00 179.25 181.04 2qr1 h LEU 12 N 0.03 0.63 -0.78 0.00 3.38 -0.58 -1.62 115.31 116.36 2qr1 h LEU 12 Ca -0.33 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 2qr1 h LEU 12 Cb 2.02 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.61 2qr1 h LEU 12 CO 0.09 0.44 0.09 0.11 0.09 0.00 0.00 178.44 179.26 2qr1 h LYS 13 N 0.76 1.01 -0.13 1.13 1.57 -1.57 0.77 116.57 120.11 2qr1 h LYS 13 Ca 0.25 -0.26 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2qr1 h LYS 13 Cb 0.01 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 2qr1 h LYS 13 CO -0.10 0.94 -0.10 0.93 -0.57 0.00 0.00 179.45 180.55 2qr1 h GLU 14 N 0.95 -0.11 -0.32 3.15 4.39 -1.50 0.27 114.58 121.41 2qr1 h GLU 14 Ca 0.19 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 2qr1 h GLU 14 Cb 0.42 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2qr1 h GLU 14 CO 0.01 -0.07 0.13 0.82 -1.16 0.00 0.00 179.01 178.74 2qr1 h ILE 15 N -0.11 1.18 -0.34 3.13 2.04 -0.61 0.68 117.51 123.48 2qr1 h ILE 15 Ca 0.09 -0.55 0.07 0.00 1.00 0.00 0.00 64.86 65.47 2qr1 h ILE 15 Cb 0.23 0.94 -0.07 0.00 -0.74 0.00 0.00 36.82 37.19 2qr1 h ILE 15 CO -0.20 0.19 -0.15 1.56 0.00 0.00 0.00 178.15 179.55 2qr1 h GLN 16 N 0.37 -0.09 -0.91 2.37 4.20 0.61 -0.65 115.11 121.02 2qr1 h GLN 16 Ca 0.11 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 2qr1 h GLN 16 Cb 0.18 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 2qr1 h GLN 16 CO -0.01 -0.06 0.51 0.00 -0.67 0.00 0.00 178.83 178.60 2qr1 h ALA 17 N 1.18 1.19 -0.12 3.87 0.00 0.44 -2.08 119.26 123.75 2qr1 h ALA 17 Ca 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2qr1 h ALA 17 Cb 0.35 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2qr1 h ALA 17 CO -0.40 0.66 0.05 0.35 0.00 0.00 0.00 179.25 179.91 2qr1 h PHE 18 N 1.26 0.18 -0.13 0.00 3.04 0.97 -0.47 116.94 121.79 2qr1 h PHE 18 Ca 0.32 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.18 2qr1 h PHE 18 Cb 0.00 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.45 2qr1 h PHE 18 CO 0.01 0.26 -0.29 -0.84 -2.02 0.00 0.00 178.31 175.43 2qr1 h ILE 19 N 0.04 1.26 -0.23 1.41 3.07 -1.04 -2.18 117.51 119.84 2qr1 h ILE 19 Ca 0.04 -1.21 -0.07 0.00 1.55 0.00 0.00 64.86 65.17 2qr1 h ILE 19 Cb 0.16 1.48 -0.01 0.00 -0.27 0.00 0.00 36.82 38.17 2qr1 h ILE 19 CO -0.00 0.37 -0.16 -0.09 -1.05 0.00 0.00 178.15 177.21 2qr1 h ARG 20 N 0.22 0.39 -0.01 0.16 2.43 -0.66 -2.57 114.38 114.33 2qr1 h ARG 20 Ca 0.03 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2qr1 h ARG 20 Cb 0.63 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2qr1 h ARG 20 CO 0.05 0.54 -0.02 -1.13 -1.51 0.00 0.00 179.97 177.90 2qr1 n SER 21 N -4.20 0.62 -4.56 -3.80 3.41 -0.25 -4.68 113.62 100.16 2qr1 n SER 21 Ca -0.00 -1.09 -0.31 0.00 -0.26 0.00 0.00 58.87 57.21 2qr1 n SER 21 Cb 0.32 -0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.15 2qr1 n SER 21 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2qr1 s ARG 22 N -2.10 2.38 0.55 4.33 1.81 -0.97 -5.04 118.95 119.91 2qr1 s ARG 22 Ca 0.40 -0.82 -0.05 0.00 -1.72 0.00 0.00 55.73 53.54 2qr1 s ARG 22 Cb 0.21 -2.40 -0.00 0.00 -0.45 0.00 0.00 34.95 32.31 2qr1 s ARG 22 CO 0.38 0.57 0.84 0.95 -0.68 0.00 0.00 175.30 177.37 2qr1 s THR 23 N -1.01 3.91 0.20 0.02 -4.23 -1.26 -0.33 115.64 112.94 2qr1 s THR 23 Ca 0.17 -0.05 -0.11 0.00 -1.18 0.00 0.00 61.69 60.53 2qr1 s THR 23 Cb -0.11 -3.52 0.13 0.00 1.34 0.00 0.00 72.50 70.34 2qr1 s THR 23 CO 0.08 -0.50 1.83 0.28 -0.54 0.00 0.00 174.62 175.76 2qr1 h SER 24 N -0.02 0.87 -0.88 3.99 0.02 -1.21 -2.22 113.55 114.12 2qr1 h SER 24 Ca -0.46 -0.08 0.26 0.00 -0.84 0.00 0.00 61.79 60.67 2qr1 h SER 24 Cb 1.25 -0.22 -0.16 0.00 0.14 0.00 0.00 62.40 63.40 2qr1 h SER 24 CO 0.60 0.70 0.07 0.00 -1.14 0.00 0.00 176.83 177.06 2qr1 n TYR 25 N -4.51 0.61 0.13 3.45 4.19 0.14 -1.31 117.16 119.87 2qr1 n TYR 25 Ca 0.06 1.06 0.05 0.00 3.31 0.00 0.00 57.90 62.38 2qr1 n TYR 25 Cb 0.07 -1.19 0.28 0.00 0.49 0.00 0.00 39.34 38.99 2qr1 n TYR 25 CO 0.00 0.00 0.00 -0.25 0.91 0.00 0.00 176.86 177.52 2qr1 n ASP 26 N -5.24 0.25 0.09 2.98 8.00 -0.83 -1.65 116.55 120.15 2qr1 n ASP 26 Ca 0.22 0.61 0.12 0.00 0.71 0.00 0.00 54.79 56.44 2qr1 n ASP 26 Cb 0.73 -0.64 0.04 0.00 -0.02 0.00 0.00 41.12 41.23 2qr1 n ASP 26 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2qr1 h VAL 27 N 0.00 0.00 -3.96 2.53 2.07 -1.36 -3.47 116.25 112.06 2qr1 h VAL 27 Ca 0.00 -0.84 -0.48 0.00 0.82 0.00 0.00 66.70 66.20 2qr1 h VAL 27 Cb 0.05 1.36 0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2qr1 h VAL 27 CO 0.00 0.00 0.40 -0.76 0.02 0.00 0.00 177.57 177.23 2qr1 s LEU 28 N -5.01 4.15 0.80 2.57 1.43 -0.66 -5.03 118.68 116.94 2qr1 s LEU 28 Ca 0.01 1.98 -0.12 0.00 -1.03 0.00 0.00 54.13 54.98 2qr1 s LEU 28 Cb 0.11 -4.19 0.08 0.00 0.03 0.00 0.00 46.19 42.22 2qr1 s LEU 28 CO 0.77 -0.43 1.15 -2.84 0.23 0.00 0.00 176.35 175.24 2qr1 s PRO 29 N -2.49 1.81 0.51 1.29 0.02 -1.26 -4.89 135.00 129.99 2qr1 s PRO 29 Ca 0.57 1.53 0.32 0.00 0.02 0.00 0.00 61.00 63.44 2qr1 s PRO 29 Cb -0.21 -1.82 1.30 0.00 0.02 0.00 0.00 34.50 33.80 2qr1 s PRO 29 CO 0.26 -2.03 1.94 1.79 -0.33 0.00 0.00 177.00 178.63 2qr1 h THR 30 N -1.02 0.00 -2.54 0.99 1.35 -1.98 -3.41 112.91 106.30 2qr1 h THR 30 Ca -0.45 -0.47 -0.10 0.00 -0.55 0.00 0.00 66.41 64.84 2qr1 h THR 30 Cb 1.27 1.43 -0.27 0.00 -1.73 0.00 0.00 68.15 68.85 2qr1 h THR 30 CO 0.47 0.00 -0.35 -0.55 -0.25 0.00 0.00 175.52 174.85 2qr1 s SER 31 N -5.47 -0.33 0.32 5.36 0.15 -1.26 -5.16 113.70 107.30 2qr1 s SER 31 Ca 0.02 0.97 -0.10 0.00 0.70 0.00 0.00 55.95 57.54 2qr1 s SER 31 Cb 0.09 1.19 0.01 0.00 -1.71 0.00 0.00 66.02 65.60 2qr1 s SER 31 CO 0.52 -0.22 0.56 0.72 1.20 0.00 0.00 173.24 176.02 2qr1 s PHE 32 N 2.28 0.54 0.17 3.44 -0.12 -1.26 -5.17 117.98 117.86 2qr1 s PHE 32 Ca -0.04 -0.93 0.06 0.00 -0.05 0.00 0.00 56.93 55.97 2qr1 s PHE 32 Cb -0.11 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 2qr1 s PHE 32 CO -0.13 -1.19 0.05 -0.98 -0.05 0.00 0.00 175.22 172.92 2qr1 s ARG 33 N -3.26 2.60 -0.16 1.99 1.70 -1.26 -5.13 118.95 115.43 2qr1 s ARG 33 Ca 0.23 -1.01 -0.04 0.00 -0.47 0.00 0.00 55.73 54.45 2qr1 s ARG 33 Cb -0.02 -2.47 0.06 0.00 -0.57 0.00 0.00 34.95 31.95 2qr1 s ARG 33 CO 0.14 0.47 0.07 -1.17 -1.08 0.00 0.00 175.30 173.72 2qr1 s LEU 34 N -2.98 0.61 -0.15 -1.89 2.96 -1.26 -5.10 118.68 110.88 2qr1 s LEU 34 Ca 0.29 -0.60 -0.26 0.00 -0.22 0.00 0.00 54.13 53.34 2qr1 s LEU 34 Cb -0.10 -0.36 -0.02 0.00 0.50 0.00 0.00 46.19 46.22 2qr1 s LEU 34 CO 0.20 -0.32 0.85 -0.63 -1.32 0.00 0.00 176.35 175.14 2qr1 s ILE 35 N 2.04 4.88 0.08 6.68 1.01 -1.26 -5.03 121.20 129.60 2qr1 s ILE 35 Ca 0.01 1.70 0.10 0.00 0.00 0.00 0.00 60.65 62.46 2qr1 s ILE 35 Cb -0.16 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 2qr1 s ILE 35 CO -0.08 0.04 -0.26 -0.69 0.00 0.00 0.00 174.94 173.96 2qr1 s VAL 36 N 2.00 2.11 -0.09 2.92 1.01 -1.26 -3.91 120.40 123.18 2qr1 s VAL 36 Ca 0.40 -1.52 0.03 0.00 0.00 0.00 0.00 61.98 60.89 2qr1 s VAL 36 Cb -0.17 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 2qr1 s VAL 36 CO 0.14 0.22 -0.19 -0.36 0.00 0.00 0.00 175.10 174.91 2qr1 s PHE 37 N -0.92 2.62 0.18 5.22 2.99 0.23 -4.97 117.98 123.33 2qr1 s PHE 37 Ca 0.12 -0.65 -0.33 0.00 0.00 0.00 0.00 56.93 56.06 2qr1 s PHE 37 Cb -0.10 -1.70 -0.14 0.00 0.00 0.00 0.00 43.02 41.08 2qr1 s PHE 37 CO 0.04 -0.18 1.46 -3.47 -0.00 0.00 0.00 175.22 173.07 2qr1 n ASP 38 N 3.11 2.69 0.31 1.36 4.64 -1.26 0.01 116.55 127.42 2qr1 n ASP 38 Ca -0.18 1.11 0.19 0.00 -1.38 0.00 0.00 54.79 54.54 2qr1 n ASP 38 Cb 0.52 -1.39 1.02 0.00 -1.04 0.00 0.00 41.12 40.23 2qr1 n ASP 38 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 2qr1 h VAL 39 N 3.30 0.11 -0.11 5.18 -1.51 -1.31 -2.45 116.25 119.46 2qr1 h VAL 39 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 2qr1 h VAL 39 Cb 1.28 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 2qr1 h VAL 39 CO 0.81 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.50 2qr1 n THR 40 N -3.18 0.14 -1.79 7.19 -2.24 -1.26 -1.44 114.28 111.70 2qr1 n THR 40 Ca -0.02 -0.32 -0.40 0.00 -2.27 0.00 0.00 64.05 61.04 2qr1 n THR 40 Cb 0.21 0.43 0.01 0.00 -2.10 0.00 0.00 70.33 68.88 2qr1 n THR 40 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qr1 s LEU 41 N -1.72 4.16 0.73 3.22 1.43 -0.92 -4.63 118.68 120.94 2qr1 s LEU 41 Ca 0.34 2.97 -0.14 0.00 -1.03 0.00 0.00 54.13 56.27 2qr1 s LEU 41 Cb 0.19 -3.87 0.04 0.00 0.03 0.00 0.00 46.19 42.58 2qr1 s LEU 41 CO 0.29 -1.12 1.17 -0.36 0.23 0.00 0.00 176.35 176.57 2qr1 s PHE 42 N -1.18 2.17 0.08 0.29 0.40 -1.26 0.23 117.98 118.71 2qr1 s PHE 42 Ca 0.59 1.60 -0.22 0.00 -0.60 0.00 0.00 56.93 58.30 2qr1 s PHE 42 Cb -0.45 -3.37 -0.13 0.00 0.51 0.00 0.00 43.02 39.58 2qr1 s PHE 42 CO 0.59 -2.38 1.64 0.28 0.70 0.00 0.00 175.22 176.04 2qr1 h VAL 43 N -0.39 1.12 -0.86 -0.44 2.07 -0.76 -2.35 116.25 114.64 2qr1 h VAL 43 Ca -0.47 -0.34 0.11 0.00 0.82 0.00 0.00 66.70 66.82 2qr1 h VAL 43 Cb 1.28 1.19 -0.08 0.00 -1.52 0.00 0.00 31.29 32.16 2qr1 h VAL 43 CO 0.50 0.10 0.49 0.50 0.02 0.00 0.00 177.57 179.18 2qr1 h LYS 44 N 0.01 0.76 -0.49 1.57 3.64 -1.83 -0.10 116.57 120.12 2qr1 h LYS 44 Ca 0.03 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2qr1 h LYS 44 Cb 0.13 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2qr1 h LYS 44 CO -0.00 0.50 0.29 1.15 -2.27 0.00 0.00 179.45 179.11 2qr1 h THR 45 N 0.78 1.16 0.00 1.00 2.02 -1.91 -2.73 112.91 113.23 2qr1 h THR 45 Ca 0.43 -0.38 -0.09 0.00 0.77 0.00 0.00 66.41 67.15 2qr1 h THR 45 Cb 0.46 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2qr1 h THR 45 CO -0.28 0.16 -0.42 0.77 0.37 0.00 0.00 175.52 176.12 2qr1 h SER 46 N 0.65 0.00 -0.25 4.18 4.64 -0.50 -1.32 113.55 120.96 2qr1 h SER 46 Ca 0.17 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.38 2qr1 h SER 46 Cb 0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2qr1 h SER 46 CO -0.03 0.42 -0.31 -0.07 -0.87 0.00 0.00 176.83 175.97 2qr1 h LEU 47 N 0.00 0.70 -0.44 5.97 3.38 -1.16 -1.35 115.31 122.41 2qr1 h LEU 47 Ca -0.00 -0.50 0.02 0.00 0.09 0.00 0.00 57.88 57.48 2qr1 h LEU 47 Cb 0.98 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 2qr1 h LEU 47 CO 0.05 1.06 0.27 0.28 0.09 0.00 0.00 178.44 180.20 2qr1 h SER 48 N 0.36 0.45 0.26 -0.43 0.02 -1.18 -0.48 113.55 112.55 2qr1 h SER 48 Ca 0.03 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 2qr1 h SER 48 Cb 0.89 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 2qr1 h SER 48 CO 0.07 0.32 -0.22 -0.07 -1.14 0.00 0.00 176.83 175.79 2qr1 h LEU 49 N 0.55 0.00 -0.00 5.07 3.38 -1.18 -1.16 115.31 121.97 2qr1 h LEU 49 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2qr1 h LEU 49 Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2qr1 h LEU 49 CO -0.07 0.22 -0.00 -0.07 0.09 0.00 0.00 178.44 178.62 2qr1 h LEU 50 N 0.00 0.00 0.41 1.67 3.38 -0.36 -2.61 115.31 117.80 2qr1 h LEU 50 Ca -0.00 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 2qr1 h LEU 50 Cb 0.41 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2qr1 h LEU 50 CO 0.03 0.39 -0.20 0.71 0.09 0.00 0.00 178.44 179.46 2qr1 h THR 51 N -0.39 0.43 -0.99 0.22 1.35 -0.75 -0.83 112.91 111.95 2qr1 h THR 51 Ca 0.00 -0.58 0.35 0.00 -0.55 0.00 0.00 66.41 65.63 2qr1 h THR 51 Cb 0.39 0.65 -0.18 0.00 -1.73 0.00 0.00 68.15 67.27 2qr1 h THR 51 CO 0.00 0.08 0.29 0.18 -0.25 0.00 0.00 175.52 175.82 2qr1 n LEU 52 N -5.18 0.13 -1.05 3.87 4.32 -0.47 0.03 117.00 118.65 2qr1 n LEU 52 Ca -0.09 1.66 0.06 0.00 -0.02 0.00 0.00 56.01 57.61 2qr1 n LEU 52 Cb 0.29 -0.71 0.21 0.00 -1.62 0.00 0.00 43.42 41.58 2qr1 n LEU 52 CO 0.27 -1.78 0.64 0.59 -1.22 0.00 0.00 177.39 175.89 2qr1 n ASN 53 N -5.36 3.01 -3.94 -1.43 4.13 -0.98 -4.93 115.26 105.76 2qr1 n ASN 53 Ca 0.31 -2.26 -0.31 0.00 1.68 0.00 0.00 54.58 54.00 2qr1 n ASN 53 Cb 1.04 -0.44 0.02 0.00 -1.54 0.00 0.00 39.78 38.86 2qr1 n ASN 53 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2qr1 n ASN 54 N 0.57 -4.55 -4.19 6.41 5.15 0.10 -4.97 115.26 113.79 2qr1 n ASN 54 Ca 0.15 -0.80 -0.12 0.00 -0.60 0.00 0.00 54.58 53.21 2qr1 n ASN 54 Cb 0.58 -3.78 -0.10 0.00 -0.53 0.00 0.00 39.78 35.94 2qr1 n ASN 54 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2qr1 s ILE 55 N -3.32 0.85 -0.36 -1.44 -4.36 -0.35 -5.04 121.20 107.19 2qr1 s ILE 55 Ca 0.65 -1.93 0.06 0.00 -0.26 0.00 0.00 60.65 59.16 2qr1 s ILE 55 Cb -0.33 -1.69 0.15 0.00 1.25 0.00 0.00 42.46 41.85 2qr1 s ILE 55 CO 0.84 -0.80 1.12 1.33 0.24 0.00 0.00 174.94 177.66 2qr1 n VAL 56 N -0.01 1.10 -3.62 8.37 0.24 -1.26 -4.24 118.33 118.91 2qr1 n VAL 56 Ca -0.12 -1.11 -0.11 0.00 -2.04 0.00 0.00 64.34 60.96 2qr1 n VAL 56 Cb 0.60 0.43 -0.07 0.00 -1.47 0.00 0.00 33.84 33.33 2qr1 n VAL 56 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2qr1 s SER 57 N -1.14 -0.54 -0.12 -1.34 0.15 -1.26 -4.03 113.70 105.42 2qr1 s SER 57 Ca 0.12 0.96 -0.09 0.00 0.70 0.00 0.00 55.95 57.64 2qr1 s SER 57 Cb 0.07 0.94 0.04 0.00 -1.71 0.00 0.00 66.02 65.36 2qr1 s SER 57 CO 0.06 -0.24 0.30 0.00 1.20 0.00 0.00 173.24 174.57 2qr1 s ALA 58 N -0.02 -0.74 0.27 5.45 0.00 -0.76 -4.98 121.76 120.99 2qr1 s ALA 58 Ca 0.01 0.98 -0.30 0.00 0.00 0.00 0.00 51.96 52.64 2qr1 s ALA 58 Cb -0.04 -0.59 -0.11 0.00 0.00 0.00 0.00 23.12 22.38 2qr1 s ALA 58 CO -0.02 -0.17 1.54 -1.25 0.00 0.00 0.00 175.76 175.86 2qr1 s PRO 59 N 0.60 4.18 0.13 0.00 0.04 -1.25 -0.81 135.00 137.88 2qr1 s PRO 59 Ca -0.04 2.47 -0.14 0.00 0.04 0.00 0.00 61.00 63.33 2qr1 s PRO 59 Cb -0.05 -3.06 -0.07 0.00 0.04 0.00 0.00 34.50 31.36 2qr1 s PRO 59 CO -0.04 -0.56 0.53 -0.51 0.04 0.00 0.00 177.00 176.46 2qr1 s LEU 60 N -0.37 4.36 0.05 -3.56 1.43 0.27 -0.60 118.68 120.26 2qr1 s LEU 60 Ca 0.62 1.05 0.09 0.00 -1.03 0.00 0.00 54.13 54.86 2qr1 s LEU 60 Cb -0.46 -3.18 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 2qr1 s LEU 60 CO 0.45 0.13 -0.25 0.86 0.23 0.00 0.00 176.35 177.78 2qr1 s TRP 61 N -1.42 2.16 -0.33 0.29 -0.11 0.10 -1.94 118.94 117.69 2qr1 s TRP 61 Ca 0.36 -0.40 0.03 0.00 1.22 0.00 0.00 56.10 57.31 2qr1 s TRP 61 Cb -0.15 -1.28 0.09 0.00 -1.50 0.00 0.00 33.47 30.63 2qr1 s TRP 61 CO 0.19 0.13 0.03 0.34 -4.62 0.00 0.00 176.95 173.02 2qr1 s ASP 62 N -1.30 4.76 0.11 5.86 -1.08 -1.00 -0.77 116.67 123.25 2qr1 s ASP 62 Ca 0.11 -1.91 -0.21 0.00 -0.52 0.00 0.00 52.55 50.01 2qr1 s ASP 62 Cb -0.10 -1.64 -0.08 0.00 -1.46 0.00 0.00 42.92 39.64 2qr1 s ASP 62 CO 0.02 -0.35 1.75 0.28 0.52 0.00 0.00 175.17 177.39 2qr1 h SER 63 N 7.72 0.06 0.00 -0.34 0.02 -1.97 0.35 113.55 119.40 2qr1 h SER 63 Ca -0.10 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2qr1 h SER 63 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2qr1 h SER 63 CO 0.53 0.05 0.00 -0.62 -1.14 0.00 0.00 176.83 175.65 2qr1 n GLU 64 N -5.05 0.00 0.23 3.45 4.71 -1.26 -2.04 120.64 120.68 2qr1 n GLU 64 Ca -0.04 0.65 0.10 0.00 -0.01 0.00 0.00 57.16 57.86 2qr1 n GLU 64 Cb 0.05 -1.30 0.57 0.00 -1.01 0.00 0.00 31.44 29.74 2qr1 n GLU 64 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2qr1 h ALA 65 N -1.58 1.20 -4.84 0.62 0.00 -2.01 -3.48 119.26 109.18 2qr1 h ALA 65 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2qr1 h ALA 65 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2qr1 h ALA 65 CO 0.00 0.26 -0.12 -1.71 0.00 0.00 0.00 179.25 177.68 2qr1 n ASN 66 N -3.63 -6.59 -3.65 0.00 4.05 0.12 -4.96 115.26 100.61 2qr1 n ASN 66 Ca -0.01 0.09 -0.02 0.00 0.45 0.00 0.00 54.58 55.09 2qr1 n ASN 66 Cb 0.34 -4.41 -0.07 0.00 1.23 0.00 0.00 39.78 36.87 2qr1 n ASN 66 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 2qr1 s LYS 67 N -2.78 0.17 0.29 1.20 2.20 -1.17 -3.14 119.74 116.51 2qr1 s LYS 67 Ca 0.06 0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 55.62 2qr1 s LYS 67 Cb -0.02 0.06 -0.12 0.00 -1.51 0.00 0.00 37.83 36.24 2qr1 s LYS 67 CO 0.59 -0.03 1.45 0.34 -0.36 0.00 0.00 175.35 177.35 2qr1 n PHE 68 N 2.54 2.48 -1.46 4.03 7.35 -1.26 -2.36 117.46 128.77 2qr1 n PHE 68 Ca -0.14 0.40 0.06 0.00 -0.76 0.00 0.00 57.45 57.00 2qr1 n PHE 68 Cb 0.57 -2.50 0.08 0.00 0.35 0.00 0.00 39.48 37.98 2qr1 n PHE 68 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qr1 n ALA 69 N 1.57 2.17 0.00 3.13 0.00 -0.82 -4.87 120.51 121.69 2qr1 n ALA 69 Ca 0.08 -1.98 0.00 0.00 0.00 0.00 0.00 53.44 51.55 2qr1 n ALA 69 Cb 0.35 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.37 2qr1 n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qr1 n GLY 70 N -0.84 0.05 3.25 0.00 0.00 -1.25 -4.79 105.19 101.60 2qr1 n GLY 70 Ca 0.10 -2.29 -0.32 0.00 0.00 0.00 0.00 46.02 43.51 2qr1 n GLY 70 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qr1 s LEU 71 N 0.00 2.20 -0.21 0.99 2.96 -1.26 -0.57 118.68 122.79 2qr1 s LEU 71 Ca 0.00 -0.51 -0.17 0.00 -0.22 0.00 0.00 54.13 53.22 2qr1 s LEU 71 Cb 0.00 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.21 2qr1 s LEU 71 CO 0.00 0.17 0.47 -0.22 -1.32 0.00 0.00 176.35 175.45 2qr1 s LEU 72 N 0.29 4.13 0.34 -0.68 2.96 0.01 -4.94 118.68 120.78 2qr1 s LEU 72 Ca -0.16 0.58 0.06 0.00 -0.22 0.00 0.00 54.13 54.39 2qr1 s LEU 72 Cb -0.17 -2.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.86 2qr1 s LEU 72 CO 0.08 -0.16 0.23 0.42 -1.32 0.00 0.00 176.35 175.60 2qr1 s THR 73 N 1.64 0.13 -0.06 3.68 -4.23 -1.26 -1.83 115.64 113.71 2qr1 s THR 73 Ca 0.22 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.95 2qr1 s THR 73 Cb -0.15 -2.47 0.23 0.00 1.34 0.00 0.00 72.50 71.45 2qr1 s THR 73 CO 0.09 0.00 1.70 0.24 -0.54 0.00 0.00 174.62 176.11 2qr1 h MET 74 N 2.11 0.00 -0.71 3.99 0.00 -1.90 -3.09 114.93 115.33 2qr1 h MET 74 Ca -0.28 0.00 0.14 0.00 0.00 0.00 0.00 59.70 59.56 2qr1 h MET 74 Cb 1.24 0.00 -0.14 0.00 0.00 0.00 0.00 31.60 32.71 2qr1 h MET 74 CO 0.42 0.23 -0.20 0.00 0.00 0.00 0.00 176.91 177.36 2qr1 h ALA 75 N 1.77 0.42 -0.72 6.32 0.00 -1.89 0.60 119.26 125.75 2qr1 h ALA 75 Ca -0.00 0.27 0.15 0.00 0.00 0.00 0.00 54.91 55.32 2qr1 h ALA 75 Cb 0.94 0.58 -0.14 0.00 0.00 0.00 0.00 17.79 19.18 2qr1 h ALA 75 CO 0.03 -0.45 -0.15 -0.44 0.00 0.00 0.00 179.25 178.24 2qr1 h ASP 76 N -0.02 -0.62 -0.02 0.00 5.19 -1.84 0.13 116.42 119.24 2qr1 h ASP 76 Ca 0.33 0.21 -0.03 0.00 -0.62 0.00 0.00 57.03 56.92 2qr1 h ASP 76 Cb 0.53 0.43 0.00 0.00 0.18 0.00 0.00 39.33 40.47 2qr1 h ASP 76 CO -0.74 -0.23 -0.12 -0.26 -3.12 0.00 0.00 179.24 174.77 2qr1 h PHE 77 N 0.01 0.16 -0.79 4.55 -1.00 -0.75 -2.97 116.94 116.15 2qr1 h PHE 77 Ca 0.36 -0.07 0.19 0.00 2.81 0.00 0.00 57.97 61.25 2qr1 h PHE 77 Cb 0.56 -0.02 -0.12 0.00 3.61 0.00 0.00 35.95 39.97 2qr1 h PHE 77 CO -0.55 0.78 0.18 0.28 -1.61 0.00 0.00 178.31 177.38 2qr1 h VAL 78 N -0.50 0.42 -0.01 -0.55 2.07 0.56 -0.72 116.25 117.52 2qr1 h VAL 78 Ca -0.01 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 2qr1 h VAL 78 Cb 0.79 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2qr1 h VAL 78 CO 0.02 0.04 -0.00 0.78 0.02 0.00 0.00 177.57 178.43 2qr1 h ASN 79 N 0.23 0.02 -0.51 0.57 2.35 -0.77 -0.44 115.58 117.03 2qr1 h ASN 79 Ca 0.47 -0.36 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 2qr1 h ASN 79 Cb 0.85 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.19 2qr1 h ASN 79 CO -0.58 0.37 0.27 0.58 -1.65 0.00 0.00 177.43 176.42 2qr1 h VAL 80 N -0.33 1.18 -0.06 2.81 2.07 -1.29 0.32 116.25 120.95 2qr1 h VAL 80 Ca 0.00 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 2qr1 h VAL 80 Cb 0.36 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2qr1 h VAL 80 CO 0.00 0.20 -0.00 0.40 0.02 0.00 0.00 177.57 178.19 2qr1 h ILE 81 N 0.76 1.26 -1.00 4.57 2.04 -0.93 -0.55 117.51 123.65 2qr1 h ILE 81 Ca 0.19 -0.79 0.10 0.00 1.00 0.00 0.00 64.86 65.37 2qr1 h ILE 81 Cb 0.07 1.67 -0.08 0.00 -0.74 0.00 0.00 36.82 37.74 2qr1 h ILE 81 CO -0.03 0.22 0.64 0.50 0.00 0.00 0.00 178.15 179.48 2qr1 h LYS 82 N -0.20 1.02 0.30 2.37 3.11 -0.72 -1.49 116.57 120.97 2qr1 h LYS 82 Ca 0.02 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.78 2qr1 h LYS 82 Cb 0.34 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.35 2qr1 h LYS 82 CO 0.00 0.67 -0.15 -0.92 -2.81 0.00 0.00 179.45 176.25 2qr1 h TYR 83 N 1.05 -0.38 -1.00 1.91 3.20 -0.60 -1.28 116.97 119.86 2qr1 h TYR 83 Ca 0.48 -0.01 0.25 0.00 3.14 0.00 0.00 58.73 62.58 2qr1 h TYR 83 Cb 0.40 0.13 -0.12 0.00 1.54 0.00 0.00 36.73 38.67 2qr1 h TYR 83 CO -0.00 -0.05 0.59 1.88 -1.64 0.00 0.00 178.16 178.93 2qr1 h TYR 84 N -0.73 1.00 -0.32 -3.82 0.05 -1.00 -0.51 116.97 111.64 2qr1 h TYR 84 Ca -0.04 0.04 -0.13 0.00 0.05 0.00 0.00 58.73 58.64 2qr1 h TYR 84 Cb 0.49 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 2qr1 h TYR 84 CO 0.02 0.06 -0.31 1.88 -1.05 0.00 0.00 178.16 178.76 2qr1 h TYR 85 N 0.57 0.93 0.00 4.88 0.05 -0.82 0.19 116.97 122.78 2qr1 h TYR 85 Ca 0.64 -0.28 -0.09 0.00 0.05 0.00 0.00 58.73 59.05 2qr1 h TYR 85 Cb 1.22 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.75 2qr1 h TYR 85 CO -0.01 1.05 -0.44 0.37 -1.05 0.00 0.00 178.16 178.08 2qr1 h GLN 86 N 0.55 0.00 0.00 4.88 4.15 -0.99 -3.37 115.11 120.33 2qr1 h GLN 86 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2qr1 h GLN 86 Cb 0.89 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.58 2qr1 h GLN 86 CO 0.08 0.44 -0.81 -1.13 -1.93 0.00 0.00 178.83 175.48 2qr1 n SER 87 N -3.37 2.05 -4.81 -0.69 3.41 -0.22 -5.02 113.62 104.97 2qr1 n SER 87 Ca 0.01 -0.30 -0.31 0.00 -0.26 0.00 0.00 58.87 58.01 2qr1 n SER 87 Cb 0.62 1.15 -0.06 0.00 -0.26 0.00 0.00 64.21 65.66 2qr1 n SER 87 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2qr1 s SER 88 N -2.17 5.74 -0.14 4.04 0.15 0.04 -4.98 113.70 116.38 2qr1 s SER 88 Ca -0.00 0.08 0.17 0.00 0.70 0.00 0.00 55.95 56.90 2qr1 s SER 88 Cb 0.04 -1.62 0.72 0.00 -1.71 0.00 0.00 66.02 63.45 2qr1 s SER 88 CO 0.25 0.19 1.64 -1.20 1.20 0.00 0.00 173.24 175.32 2qr1 n SER 89 N 0.56 4.89 -3.76 5.45 7.64 -1.26 -4.82 113.62 122.32 2qr1 n SER 89 Ca -0.09 -2.59 -0.30 0.00 1.01 0.00 0.00 58.87 56.90 2qr1 n SER 89 Cb 0.52 -0.59 -0.15 0.00 -1.01 0.00 0.00 64.21 62.98 2qr1 n SER 89 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2qr1 s PHE 90 N -2.12 1.89 0.31 1.43 0.40 -1.26 -5.02 117.98 113.61 2qr1 s PHE 90 Ca 0.51 -1.85 0.10 0.00 -0.60 0.00 0.00 56.93 55.09 2qr1 s PHE 90 Cb 0.35 -1.82 0.95 0.00 0.51 0.00 0.00 43.02 43.00 2qr1 s PHE 90 CO 0.21 -0.88 1.41 -2.30 0.70 0.00 0.00 175.22 174.36 2qr1 n PRO 91 N 4.79 -0.06 0.00 0.24 -0.02 -1.26 -0.86 135.00 137.82 2qr1 n PRO 91 Ca -0.01 1.29 0.15 0.00 -2.02 0.00 0.00 63.50 62.91 2qr1 n PRO 91 Cb 0.42 -2.19 0.75 0.00 -0.02 0.00 0.00 33.50 32.46 2qr1 n PRO 91 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2qr1 n GLU 92 N -5.17 0.90 -0.06 -0.52 -0.58 -1.26 -3.82 120.64 110.12 2qr1 n GLU 92 Ca 0.28 -0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 2qr1 n GLU 92 Cb 0.93 -1.50 0.29 0.00 -0.57 0.00 0.00 31.44 30.59 2qr1 n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qr1 h ALA 93 N 3.83 1.42 -0.79 0.62 0.00 -1.43 -1.19 119.26 121.71 2qr1 h ALA 93 Ca 0.00 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 54.94 2qr1 h ALA 93 Cb 0.24 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2qr1 h ALA 93 CO 0.00 0.44 0.53 0.97 0.00 0.00 0.00 179.25 181.19 2qr1 h ILE 94 N 0.66 0.74 -0.09 0.00 6.09 -1.77 0.30 117.51 123.46 2qr1 h ILE 94 Ca 0.16 -0.12 0.03 0.00 -1.37 0.00 0.00 64.86 63.55 2qr1 h ILE 94 Cb 0.17 0.35 -0.00 0.00 0.47 0.00 0.00 36.82 37.80 2qr1 h ILE 94 CO -0.01 0.07 0.09 0.00 -3.07 0.00 0.00 178.15 175.22 2qr1 h ALA 95 N 1.64 1.74 0.00 0.18 0.00 -1.48 -1.58 119.26 119.75 2qr1 h ALA 95 Ca 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2qr1 h ALA 95 Cb 1.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2qr1 h ALA 95 CO -0.12 -0.13 0.00 1.05 0.00 0.00 0.00 179.25 180.05 2qr1 h GLU 96 N 0.00 0.00 -1.04 0.00 4.11 -1.06 -2.58 114.58 114.01 2qr1 h GLU 96 Ca 0.04 0.00 0.27 0.00 0.07 0.00 0.00 59.36 59.74 2qr1 h GLU 96 Cb 0.22 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.37 2qr1 h GLU 96 CO -0.00 0.00 0.66 0.82 0.07 0.00 0.00 179.01 180.56 2qr1 h ILE 97 N 0.00 0.52 0.00 -1.06 2.04 -1.46 0.88 117.51 118.43 2qr1 h ILE 97 Ca 0.00 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2qr1 h ILE 97 Cb 0.20 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 2qr1 h ILE 97 CO 0.00 0.08 0.00 0.47 0.00 0.00 0.00 178.15 178.70 2qr1 n ASP 98 N -4.66 0.00 0.19 1.72 9.92 -0.97 -1.53 116.55 121.22 2qr1 n ASP 98 Ca 0.26 -0.19 0.12 0.00 -0.53 0.00 0.00 54.79 54.45 2qr1 n ASP 98 Cb 0.87 -0.12 0.15 0.00 -0.64 0.00 0.00 41.12 41.38 2qr1 n ASP 98 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 2qr1 h LYS 99 N 0.00 0.00 -6.65 -1.24 2.10 -1.04 -3.43 116.57 106.31 2qr1 h LYS 99 Ca 0.00 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.14 2qr1 h LYS 99 Cb 0.05 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.35 2qr1 h LYS 99 CO 0.00 0.00 0.17 -0.06 -2.00 0.00 0.00 179.45 177.56 2qr1 s PHE 100 N -3.23 3.67 0.58 0.07 0.40 -0.58 -4.92 117.98 113.96 2qr1 s PHE 100 Ca 0.06 1.50 -0.07 0.00 -0.60 0.00 0.00 56.93 57.82 2qr1 s PHE 100 Cb 0.06 -2.71 -0.01 0.00 0.51 0.00 0.00 43.02 40.87 2qr1 s PHE 100 CO 0.69 0.31 0.91 1.03 0.70 0.00 0.00 175.22 178.86 2qr1 s ARG 101 N -1.95 3.24 0.31 0.44 0.52 -1.26 -0.07 118.95 120.18 2qr1 s ARG 101 Ca 0.44 0.26 0.02 0.00 -0.52 0.00 0.00 55.73 55.93 2qr1 s ARG 101 Cb -0.17 -2.24 0.56 0.00 0.52 0.00 0.00 34.95 33.62 2qr1 s ARG 101 CO 0.22 -0.56 1.92 -0.07 0.02 0.00 0.00 175.30 176.83 2qr1 h LEU 102 N -0.14 0.87 -0.31 2.53 4.07 -0.16 -0.17 115.31 122.00 2qr1 h LEU 102 Ca -0.46 0.01 0.07 0.00 0.08 0.00 0.00 57.88 57.58 2qr1 h LEU 102 Cb 1.23 -0.18 -0.08 0.00 1.08 0.00 0.00 40.66 42.71 2qr1 h LEU 102 CO 0.62 0.56 -0.28 0.25 -1.08 0.00 0.00 178.44 178.50 2qr1 h LEU 103 N 0.98 -0.92 -0.70 1.67 5.85 -1.50 -1.08 115.31 119.61 2qr1 h LEU 103 Ca 0.38 0.16 0.05 0.00 0.84 0.00 0.00 57.88 59.31 2qr1 h LEU 103 Cb 0.21 0.43 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 2qr1 h LEU 103 CO -0.14 -0.30 0.41 1.23 -0.34 0.00 0.00 178.44 179.30 2qr1 h GLY 104 N -0.26 1.03 1.70 3.75 0.00 -1.38 -1.43 103.07 106.48 2qr1 h GLY 104 Ca 0.15 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 2qr1 h GLY 104 CO -0.46 0.21 -0.24 -2.00 0.00 0.00 0.00 176.54 174.05 2qr1 h LEU 105 N 0.78 0.35 -0.30 3.11 5.85 -0.96 -1.90 115.31 122.24 2qr1 h LEU 105 Ca 0.30 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.81 2qr1 h LEU 105 Cb 0.13 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2qr1 h LEU 105 CO -0.16 0.60 -0.22 0.03 -0.34 0.00 0.00 178.44 178.35 2qr1 h ARG 106 N 0.32 0.68 -0.50 1.25 3.08 -0.66 -1.68 114.38 116.87 2qr1 h ARG 106 Ca 0.05 -0.33 -0.06 0.00 0.07 0.00 0.00 59.98 59.71 2qr1 h ARG 106 Cb 0.60 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 2qr1 h ARG 106 CO 0.04 0.94 0.07 0.93 -1.07 0.00 0.00 179.97 180.88 2qr1 h GLU 107 N 0.43 0.79 -0.56 0.04 5.08 -1.11 -1.08 114.58 118.17 2qr1 h GLU 107 Ca 0.06 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 2qr1 h GLU 107 Cb 0.78 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 2qr1 h GLU 107 CO 0.06 0.75 0.02 0.28 -1.00 0.00 0.00 179.01 179.12 2qr1 h VAL 108 N 0.75 1.26 -0.30 3.13 2.07 -1.37 -1.77 116.25 120.03 2qr1 h VAL 108 Ca 0.16 -1.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.52 2qr1 h VAL 108 Cb 0.35 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2qr1 h VAL 108 CO 0.01 0.39 -0.14 -0.33 0.02 0.00 0.00 177.57 177.52 2qr1 h GLU 109 N 0.86 0.51 -0.34 1.57 5.08 -0.65 -2.62 114.58 118.99 2qr1 h GLU 109 Ca 0.16 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 2qr1 h GLU 109 Cb 0.51 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2qr1 h GLU 109 CO 0.02 0.64 -0.37 -0.09 -1.00 0.00 0.00 179.01 178.21 2qr1 h ARG 110 N 0.47 0.79 -0.35 2.33 2.43 -1.03 0.77 114.38 119.79 2qr1 h ARG 110 Ca 0.08 -0.40 0.07 0.00 -0.81 0.00 0.00 59.98 58.93 2qr1 h ARG 110 Cb 0.51 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.00 2qr1 h ARG 110 CO 0.03 1.03 -0.14 0.87 -1.51 0.00 0.00 179.97 180.25 2qr1 h LYS 111 N 0.65 -0.07 -0.00 0.20 1.57 -0.97 -2.55 116.57 115.40 2qr1 h LYS 111 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2qr1 h LYS 111 Cb 0.93 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.26 2qr1 h LYS 111 CO 0.09 -0.05 -0.06 0.44 -0.57 0.00 0.00 179.45 179.29 2qr1 n ILE 112 N -5.33 0.00 -1.33 1.86 -5.35 -1.06 -4.91 119.36 103.24 2qr1 n ILE 112 Ca 0.01 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2qr1 n ILE 112 Cb 0.24 -0.34 0.00 0.00 -1.74 0.00 0.00 39.64 37.80 2qr1 n ILE 112 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qr1 n GLY 113 N 1.35 1.00 0.08 3.28 0.00 -0.96 -5.02 105.19 104.92 2qr1 n GLY 113 Ca 0.12 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 2qr1 n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qr1 n ALA 114 N -1.32 1.63 -3.06 4.61 0.00 0.24 -4.88 120.51 117.73 2qr1 n ALA 114 Ca 0.00 -0.87 -0.36 0.00 0.00 0.00 0.00 53.44 52.21 2qr1 n ALA 114 Cb 0.28 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.61 2qr1 n ALA 114 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2qr1 s ILE 115 N -2.35 4.20 0.71 0.00 -1.16 -1.21 -4.90 121.20 116.48 2qr1 s ILE 115 Ca -0.14 -0.22 -0.16 0.00 -0.51 0.00 0.00 60.65 59.62 2qr1 s ILE 115 Cb 0.05 -2.93 0.02 0.00 0.61 0.00 0.00 42.46 40.21 2qr1 s ILE 115 CO 0.52 0.39 1.25 -2.16 -2.81 0.00 0.00 174.94 172.12 2qr1 s PRO 116 N 1.25 2.22 0.13 3.50 0.04 -1.26 -4.67 135.00 136.21 2qr1 s PRO 116 Ca 0.04 1.92 -0.19 0.00 0.04 0.00 0.00 61.00 62.81 2qr1 s PRO 116 Cb -0.15 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 2qr1 s PRO 116 CO 0.02 -1.81 1.78 -1.00 0.04 0.00 0.00 177.00 176.03 2qr1 h PRO 117 N -0.01 0.31 -6.83 0.56 0.13 -1.99 -3.42 132.00 120.76 2qr1 h PRO 117 Ca -0.49 -0.02 -0.55 0.00 -0.87 0.00 0.00 66.00 64.07 2qr1 h PRO 117 Cb 1.32 -0.07 0.10 0.00 0.13 0.00 0.00 31.00 32.48 2qr1 h PRO 117 CO 0.51 0.22 0.75 -1.91 -0.23 0.00 0.00 178.00 177.33 2qr1 n GLU 118 N -4.92 2.53 -3.73 0.86 4.07 -1.26 -5.00 120.64 113.19 2qr1 n GLU 118 Ca -0.03 0.89 -0.38 0.00 -0.06 0.00 0.00 57.16 57.59 2qr1 n GLU 118 Cb 0.03 -2.61 -0.12 0.00 -0.06 0.00 0.00 31.44 28.68 2qr1 n GLU 118 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2qr1 s THR 119 N -0.69 4.01 -0.07 6.31 -4.23 -1.26 -5.09 115.64 114.62 2qr1 s THR 119 Ca 0.58 -0.83 -0.20 0.00 -1.18 0.00 0.00 61.69 60.06 2qr1 s THR 119 Cb -0.51 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 2qr1 s THR 119 CO 0.58 -0.03 0.57 0.27 -0.54 0.00 0.00 174.62 175.47 2qr1 s ILE 120 N 1.48 5.07 -0.20 2.99 -5.25 -1.26 -5.01 121.20 119.02 2qr1 s ILE 120 Ca 0.01 1.17 -0.28 0.00 -0.99 0.00 0.00 60.65 60.57 2qr1 s ILE 120 Cb -0.18 -3.91 0.12 0.00 2.95 0.00 0.00 42.46 41.44 2qr1 s ILE 120 CO 0.03 0.33 0.96 -0.72 -1.79 0.00 0.00 174.94 173.76 2qr1 s TYR 121 N 0.41 -0.46 0.26 1.37 1.13 -1.26 -4.38 117.35 114.43 2qr1 s TYR 121 Ca 0.31 0.94 0.10 0.00 -1.41 0.00 0.00 57.07 57.01 2qr1 s TYR 121 Cb -0.17 0.40 -0.05 0.00 -1.10 0.00 0.00 41.96 41.05 2qr1 s TYR 121 CO 0.14 -0.33 -0.17 0.14 -2.51 0.00 0.00 175.55 172.83 2qr1 s VAL 122 N -0.54 2.18 0.15 -3.49 -7.23 -1.12 -5.00 120.40 105.35 2qr1 s VAL 122 Ca -0.01 -2.32 -0.28 0.00 -1.81 0.00 0.00 61.98 57.56 2qr1 s VAL 122 Cb -0.02 -2.25 -0.07 0.00 0.56 0.00 0.00 36.38 34.59 2qr1 s VAL 122 CO -0.00 -0.44 0.88 -2.28 -0.31 0.00 0.00 175.10 172.94 2qr1 s HIS 123 N -2.69 3.88 0.60 2.82 2.46 -1.26 -2.25 115.29 118.85 2qr1 s HIS 123 Ca 0.28 1.74 0.31 0.00 0.47 0.00 0.00 55.06 57.86 2qr1 s HIS 123 Cb -0.03 -2.92 1.89 0.00 -0.13 0.00 0.00 32.58 31.40 2qr1 s HIS 123 CO 0.12 0.37 2.27 -1.35 -2.47 0.00 0.00 174.74 173.69 2qr1 h PRO 124 N 4.83 0.00 -0.01 2.88 0.11 -1.91 -2.64 132.00 135.25 2qr1 h PRO 124 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2qr1 h PRO 124 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qr1 h PRO 124 CO 0.69 0.00 -0.57 -1.33 -0.21 0.00 0.00 178.00 176.58 2qr1 n MET 125 N -3.76 1.05 -1.28 1.05 2.81 -1.26 0.26 117.12 115.99 2qr1 n MET 125 Ca -0.03 -0.75 -0.31 0.00 -1.81 0.00 0.00 57.70 54.81 2qr1 n MET 125 Cb 0.08 -1.45 0.10 0.00 -0.71 0.00 0.00 33.22 31.24 2qr1 n MET 125 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 2qr1 s HIS 126 N -2.52 2.57 0.60 2.03 3.76 -1.00 -4.80 115.29 115.94 2qr1 s HIS 126 Ca 0.15 1.45 -0.19 0.00 -0.15 0.00 0.00 55.06 56.32 2qr1 s HIS 126 Cb 0.17 -3.06 -0.03 0.00 1.11 0.00 0.00 32.58 30.77 2qr1 s HIS 126 CO 0.61 -1.89 1.30 0.45 -0.85 0.00 0.00 174.74 174.36 2qr1 s SER 127 N -3.46 4.94 0.45 1.40 0.15 -1.26 -2.22 113.70 113.71 2qr1 s SER 127 Ca 0.61 2.63 0.11 0.00 0.70 0.00 0.00 55.95 60.01 2qr1 s SER 127 Cb -0.17 -2.62 1.02 0.00 -1.71 0.00 0.00 66.02 62.54 2qr1 s SER 127 CO 0.56 -1.78 2.07 0.25 1.20 0.00 0.00 173.24 175.54 2qr1 h LEU 128 N 0.93 0.30 0.09 3.45 5.85 -0.80 -2.65 115.31 122.48 2qr1 h LEU 128 Ca -0.51 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.20 2qr1 h LEU 128 Cb 1.32 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2qr1 h LEU 128 CO 0.55 0.21 -0.04 0.24 -0.34 0.00 0.00 178.44 179.06 2qr1 h MET 129 N 0.36 -0.11 -1.04 1.25 2.86 -1.79 -2.32 114.93 114.14 2qr1 h MET 129 Ca 0.13 0.01 0.29 0.00 -2.06 0.00 0.00 59.70 58.06 2qr1 h MET 129 Cb 0.08 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.71 2qr1 h MET 129 CO -0.03 -0.04 0.72 -0.44 1.06 0.00 0.00 176.91 178.18 2qr1 h ASP 130 N -0.15 0.16 0.03 1.22 3.45 -1.84 -0.30 116.42 118.99 2qr1 h ASP 130 Ca -0.01 0.03 -0.28 0.00 0.43 0.00 0.00 57.03 57.20 2qr1 h ASP 130 Cb 0.12 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 38.91 2qr1 h ASP 130 CO 0.02 0.04 -1.09 0.00 -1.57 0.00 0.00 179.24 176.63 2qr1 h ALA 131 N 1.53 0.10 -0.32 3.45 0.00 -1.40 -2.72 119.26 119.89 2qr1 h ALA 131 Ca 0.52 -0.72 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 2qr1 h ALA 131 Cb 1.80 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 2qr1 h ALA 131 CO -0.10 0.69 -0.29 0.00 0.00 0.00 0.00 179.25 179.55 2qr1 h LEU 133 N 0.57 0.00 0.01 0.00 3.38 -1.24 0.09 115.31 118.11 2qr1 h LEU 133 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2qr1 h LEU 133 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2qr1 h LEU 133 CO 0.06 0.11 -0.00 0.00 0.09 0.00 0.00 178.44 178.70 2qr1 h ALA 134 N 1.89 -0.01 -0.80 1.53 0.00 -1.07 -3.03 119.26 117.77 2qr1 h ALA 134 Ca -0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2qr1 h ALA 134 Cb 0.59 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2qr1 h ALA 134 CO 0.01 -0.15 0.39 1.98 0.00 0.00 0.00 179.25 181.48 2qr1 h MET 135 N -0.72 1.15 -0.30 0.00 -1.53 -1.07 0.16 114.93 112.62 2qr1 h MET 135 Ca -0.00 -0.16 -0.07 0.00 -3.44 0.00 0.00 59.70 56.03 2qr1 h MET 135 Cb 0.69 -0.21 -0.01 0.00 -0.55 0.00 0.00 31.60 31.52 2qr1 h MET 135 CO 0.00 0.88 -0.08 1.03 0.14 0.00 0.00 176.91 178.88 2qr1 h SER 136 N 1.14 0.59 0.15 1.39 0.87 -1.08 -0.34 113.55 116.27 2qr1 h SER 136 Ca 0.28 -0.37 -0.23 0.00 -1.23 0.00 0.00 61.79 60.24 2qr1 h SER 136 Cb 0.10 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2qr1 h SER 136 CO -0.04 0.82 -0.92 0.11 -0.53 0.00 0.00 176.83 176.28 2qr1 h LYS 137 N 0.35 0.55 0.00 2.24 1.57 -1.36 -3.17 116.57 116.75 2qr1 h LYS 137 Ca 0.07 -0.55 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2qr1 h LYS 137 Cb 0.57 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2qr1 h LYS 137 CO 0.03 1.17 -0.06 -1.13 -0.57 0.00 0.00 179.45 178.90 2qr1 n SER 138 N -3.82 0.56 0.00 0.86 3.41 0.02 -4.90 113.62 109.75 2qr1 n SER 138 Ca -0.08 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 2qr1 n SER 138 Cb 0.82 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 2qr1 n SER 138 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2qr1 n ARG 139 N -2.01 -1.81 -2.24 4.33 3.00 -0.16 -4.97 116.66 112.80 2qr1 n ARG 139 Ca 0.06 0.45 -0.37 0.00 -0.00 0.00 0.00 57.85 57.99 2qr1 n ARG 139 Cb 0.40 -4.84 -0.00 0.00 0.00 0.00 0.00 32.46 28.02 2qr1 n ARG 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qr1 s ALA 140 N -1.08 2.90 -1.71 5.13 0.00 -1.06 -4.75 121.76 121.19 2qr1 s ALA 140 Ca 0.00 0.93 0.20 0.00 0.00 0.00 0.00 51.96 53.09 2qr1 s ALA 140 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 2qr1 s ALA 140 CO 0.00 -0.72 0.98 0.54 0.00 0.00 0.00 175.76 176.57 2qr1 n ARG 141 N -0.70 1.24 -3.76 0.00 1.74 -0.86 -4.66 116.66 109.65 2qr1 n ARG 141 Ca 0.08 -0.79 -0.11 0.00 -0.77 0.00 0.00 57.85 56.26 2qr1 n ARG 141 Cb 0.49 -1.42 -0.07 0.00 -1.02 0.00 0.00 32.46 30.44 2qr1 n ARG 141 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2qr1 s ARG 142 N -2.38 0.82 -0.02 5.56 1.70 -1.26 -2.82 118.95 120.55 2qr1 s ARG 142 Ca 0.15 -0.59 0.00 0.00 -0.47 0.00 0.00 55.73 54.83 2qr1 s ARG 142 Cb 0.16 0.35 0.03 0.00 -0.57 0.00 0.00 34.95 34.92 2qr1 s ARG 142 CO 0.57 -0.27 0.02 -1.50 -1.08 0.00 0.00 175.30 173.04 2qr1 s ILE 143 N -2.81 0.02 0.42 4.99 2.07 0.12 -4.97 121.20 121.04 2qr1 s ILE 143 Ca -0.03 0.18 -0.25 0.00 -1.41 0.00 0.00 60.65 59.14 2qr1 s ILE 143 Cb 0.00 -0.15 -0.08 0.00 0.13 0.00 0.00 42.46 42.36 2qr1 s ILE 143 CO -0.05 0.11 1.20 -2.16 -1.91 0.00 0.00 174.94 172.13 2qr1 s PRO 144 N 1.07 3.93 -0.23 3.50 0.04 -1.26 0.56 135.00 142.61 2qr1 s PRO 144 Ca -0.09 1.88 -0.06 0.00 0.04 0.00 0.00 61.00 62.78 2qr1 s PRO 144 Cb -0.13 -2.60 -0.02 0.00 0.04 0.00 0.00 34.50 31.79 2qr1 s PRO 144 CO -0.03 -0.44 0.02 -0.51 0.04 0.00 0.00 177.00 176.08 2qr1 s LEU 145 N -2.67 3.25 -0.02 -3.56 1.43 0.11 -2.80 118.68 114.43 2qr1 s LEU 145 Ca 0.59 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 2qr1 s LEU 145 Cb -0.32 -1.85 0.03 0.00 0.03 0.00 0.00 46.19 44.08 2qr1 s LEU 145 CO 0.39 0.00 0.02 -0.63 0.23 0.00 0.00 176.35 176.37 2qr1 s ILE 146 N 1.38 0.03 0.50 -0.59 1.01 -0.95 -0.99 121.20 121.59 2qr1 s ILE 146 Ca 0.05 0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.90 2qr1 s ILE 146 Cb -0.15 -0.16 0.03 0.00 0.01 0.00 0.00 42.46 42.20 2qr1 s ILE 146 CO 0.01 0.11 0.24 -0.67 0.00 0.00 0.00 174.94 174.63 2qr1 n ASP 147 N 4.21 2.92 -3.77 3.58 -0.08 0.51 -4.18 116.55 119.73 2qr1 n ASP 147 Ca -0.27 -2.91 -0.17 0.00 -1.51 0.00 0.00 54.79 49.94 2qr1 n ASP 147 Cb 0.50 0.11 -0.16 0.00 2.34 0.00 0.00 41.12 43.90 2qr1 n ASP 147 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2qr1 s VAL 148 N -2.63 0.02 -0.50 5.18 1.01 -1.26 -0.59 120.40 121.63 2qr1 s VAL 148 Ca 0.18 0.20 -0.19 0.00 0.00 0.00 0.00 61.98 62.17 2qr1 s VAL 148 Cb -0.01 -0.16 0.05 0.00 0.00 0.00 0.00 36.38 36.26 2qr1 s VAL 148 CO 0.11 0.13 0.62 -0.62 0.00 0.00 0.00 175.10 175.34 2qr1 s ASP 149 N 1.24 6.23 0.08 3.32 -1.08 -0.63 -4.95 116.67 120.88 2qr1 s ASP 149 Ca -0.07 -0.86 0.10 0.00 -0.52 0.00 0.00 52.55 51.20 2qr1 s ASP 149 Cb -0.13 -2.29 0.48 0.00 -1.46 0.00 0.00 42.92 39.52 2qr1 s ASP 149 CO -0.03 -0.88 1.32 0.61 0.52 0.00 0.00 175.17 176.72 2qr1 n GLY 150 N 5.16 -0.80 0.13 2.66 0.00 -1.26 0.54 105.19 111.63 2qr1 n GLY 150 Ca -0.06 0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 2qr1 n GLY 150 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qr1 h GLU 151 N 0.00 -0.24 0.02 1.61 4.57 -1.97 -3.38 114.58 115.20 2qr1 h GLU 151 Ca 0.00 0.02 -0.22 0.00 -1.18 0.00 0.00 59.36 57.97 2qr1 h GLU 151 Cb 0.12 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 2qr1 h GLU 151 CO 0.00 -0.16 -1.06 1.79 -1.18 0.00 0.00 179.01 178.40 2qr1 h THR 152 N -0.97 1.66 0.00 0.32 1.35 -1.96 -3.47 112.91 109.84 2qr1 h THR 152 Ca -0.03 -3.35 0.00 0.00 -0.55 0.00 0.00 66.41 62.49 2qr1 h THR 152 Cb 0.19 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 2qr1 h THR 152 CO 0.04 0.95 0.00 0.61 -0.25 0.00 0.00 175.52 176.87 2qr1 n GLY 153 N 1.39 0.41 3.82 5.82 0.00 0.19 -5.04 105.19 111.78 2qr1 n GLY 153 Ca -0.02 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 2qr1 n GLY 153 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qr1 s SER 154 N -2.76 6.93 0.35 1.61 1.04 -1.22 -4.83 113.70 114.81 2qr1 s SER 154 Ca 0.00 1.11 -0.27 0.00 0.48 0.00 0.00 55.95 57.26 2qr1 s SER 154 Cb 0.00 -2.30 -0.09 0.00 0.10 0.00 0.00 66.02 63.72 2qr1 s SER 154 CO 0.00 0.30 1.18 -1.61 0.98 0.00 0.00 173.24 174.09 2qr1 s GLU 155 N -1.07 4.31 -0.23 4.02 2.02 -1.19 -1.61 118.70 124.97 2qr1 s GLU 155 Ca 0.26 1.91 -0.03 0.00 0.02 0.00 0.00 54.97 57.14 2qr1 s GLU 155 Cb -0.18 -2.93 0.00 0.00 0.10 0.00 0.00 34.13 31.13 2qr1 s GLU 155 CO 0.16 -0.12 -0.06 1.41 0.02 0.00 0.00 175.26 176.68 2qr1 s MET 156 N -1.92 3.18 -0.23 1.61 1.75 0.24 -4.70 119.30 119.23 2qr1 s MET 156 Ca 0.51 -0.75 -0.23 0.00 -1.25 0.00 0.00 55.69 53.97 2qr1 s MET 156 Cb -0.33 -2.98 -0.01 0.00 2.84 0.00 0.00 34.83 34.35 2qr1 s MET 156 CO 0.43 -0.26 0.75 0.42 -0.65 0.00 0.00 175.02 175.70 2qr1 s ILE 157 N 1.42 4.90 -0.19 10.11 1.01 -1.26 -0.37 121.20 136.82 2qr1 s ILE 157 Ca 0.04 1.42 0.00 0.00 0.00 0.00 0.00 60.65 62.11 2qr1 s ILE 157 Cb -0.15 -4.05 -0.21 0.00 0.01 0.00 0.00 42.46 38.06 2qr1 s ILE 157 CO -0.04 -0.01 0.06 0.52 0.00 0.00 0.00 174.94 175.47 2qr1 n VAL 158 N 5.11 1.60 -3.98 2.92 0.31 -0.16 -5.00 118.33 119.14 2qr1 n VAL 158 Ca 0.03 -0.63 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 2qr1 n VAL 158 Cb 0.48 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 2qr1 n VAL 158 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2qr1 n SER 159 N -3.30 -0.11 -3.76 4.52 2.88 -1.21 -4.96 113.62 107.68 2qr1 n SER 159 Ca -0.38 -1.01 -0.25 0.00 -1.33 0.00 0.00 58.87 55.90 2qr1 n SER 159 Cb 1.03 0.17 -0.17 0.00 -0.75 0.00 0.00 64.21 64.48 2qr1 n SER 159 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2qr1 s VAL 160 N -2.03 0.47 -0.14 2.46 1.01 -1.26 0.07 120.40 120.98 2qr1 s VAL 160 Ca 0.03 -0.21 -0.25 0.00 0.00 0.00 0.00 61.98 61.55 2qr1 s VAL 160 Cb -0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 2qr1 s VAL 160 CO -0.00 0.05 0.82 -0.22 0.00 0.00 0.00 175.10 175.75 2qr1 s LEU 161 N 1.91 4.21 0.42 3.92 2.96 0.19 -4.87 118.68 127.42 2qr1 s LEU 161 Ca 0.02 1.20 0.03 0.00 -0.22 0.00 0.00 54.13 55.16 2qr1 s LEU 161 Cb -0.14 -3.23 -0.00 0.00 0.50 0.00 0.00 46.19 43.32 2qr1 s LEU 161 CO -0.07 -0.35 0.61 0.42 -1.32 0.00 0.00 176.35 175.64 2qr1 s THR 162 N 1.89 3.85 0.31 3.68 -4.23 -1.26 0.16 115.64 120.04 2qr1 s THR 162 Ca 0.39 -0.71 0.09 0.00 -1.18 0.00 0.00 61.69 60.28 2qr1 s THR 162 Cb -0.17 -3.39 0.04 0.00 1.34 0.00 0.00 72.50 70.32 2qr1 s THR 162 CO 0.14 -0.22 1.72 1.56 -0.54 0.00 0.00 174.62 177.28 2qr1 h GLN 163 N 0.54 0.13 -0.11 3.99 4.20 -1.92 -3.16 115.11 118.79 2qr1 h GLN 163 Ca -0.45 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.18 2qr1 h GLN 163 Cb 1.26 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.04 2qr1 h GLN 163 CO 0.55 0.55 0.02 -0.92 -0.67 0.00 0.00 178.83 178.35 2qr1 h TYR 164 N 0.11 0.19 0.00 2.96 5.03 -1.94 -2.56 116.97 120.76 2qr1 h TYR 164 Ca 0.01 -0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.29 2qr1 h TYR 164 Cb 0.82 -0.05 -0.00 0.00 1.55 0.00 0.00 36.73 39.05 2qr1 h TYR 164 CO 0.01 0.38 -0.02 0.00 -1.32 0.00 0.00 178.16 177.21 2qr1 h ARG 165 N -0.05 0.00 -0.00 1.82 2.47 -1.96 0.90 114.38 117.56 2qr1 h ARG 165 Ca 0.03 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.73 2qr1 h ARG 165 Cb 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 2qr1 h ARG 165 CO 0.00 0.02 -0.07 0.82 0.56 0.00 0.00 179.97 181.30 2qr1 h ILE 166 N 0.00 1.60 -0.78 2.04 2.04 -1.50 -0.37 117.51 120.55 2qr1 h ILE 166 Ca -0.00 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 63.99 2qr1 h ILE 166 Cb 0.04 2.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.93 2qr1 h ILE 166 CO 0.00 0.49 0.50 -0.07 0.00 0.00 0.00 178.15 179.08 2qr1 h LEU 167 N -0.70 0.91 -0.20 1.44 3.38 -1.19 -0.30 115.31 118.66 2qr1 h LEU 167 Ca -0.01 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2qr1 h LEU 167 Cb 0.85 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2qr1 h LEU 167 CO 0.01 0.68 0.02 0.50 0.09 0.00 0.00 178.44 179.74 2qr1 h LYS 168 N 1.06 0.34 -1.08 1.13 3.64 -0.83 -1.24 116.57 119.59 2qr1 h LYS 168 Ca 0.28 -0.10 0.33 0.00 -1.27 0.00 0.00 60.65 59.90 2qr1 h LYS 168 Cb -0.09 -0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 31.56 2qr1 h LYS 168 CO -0.06 0.52 0.65 0.35 -2.27 0.00 0.00 179.45 178.64 2qr1 h PHE 169 N 0.11 0.79 0.24 1.91 3.04 -0.71 -1.81 116.94 120.51 2qr1 h PHE 169 Ca 0.06 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.03 2qr1 h PHE 169 Cb 0.35 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.66 2qr1 h PHE 169 CO 0.03 -0.12 -0.12 0.82 -2.02 0.00 0.00 178.31 176.90 2qr1 h ILE 170 N 0.30 0.53 -0.37 1.41 2.04 -0.11 -2.86 117.51 118.44 2qr1 h ILE 170 Ca 0.72 -0.94 0.11 0.00 1.00 0.00 0.00 64.86 65.75 2qr1 h ILE 170 Cb 1.82 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 2qr1 h ILE 170 CO -0.49 0.14 0.38 0.77 0.00 0.00 0.00 178.15 178.94 2qr1 h SER 171 N -0.96 0.00 1.34 1.72 4.64 -0.96 0.35 113.55 119.68 2qr1 h SER 171 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2qr1 h SER 171 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2qr1 h SER 171 CO 0.05 0.00 -0.47 0.24 -0.87 0.00 0.00 176.83 175.79 2qr1 h MET 172 N 0.00 0.00 0.00 4.77 2.86 -1.37 -3.38 114.93 117.81 2qr1 h MET 172 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 2qr1 h MET 172 Cb 0.94 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 2qr1 h MET 172 CO -0.00 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.06 2qr1 n ASN 173 N -2.61 0.72 -4.08 1.22 3.02 0.97 -4.93 115.26 109.56 2qr1 n ASN 173 Ca 0.03 -1.10 -0.33 0.00 -0.03 0.00 0.00 54.58 53.15 2qr1 n ASN 173 Cb 0.50 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.53 2qr1 n ASN 173 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qr1 h LYS 175 N 7.80 0.24 0.00 0.00 1.57 -1.88 -3.18 116.57 121.12 2qr1 h LYS 175 Ca -0.16 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2qr1 h LYS 175 Cb 1.04 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.30 2qr1 h LYS 175 CO 0.50 0.16 0.00 0.39 -0.57 0.00 0.00 179.45 179.93 2qr1 n GLU 176 N -4.44 0.02 0.23 3.15 4.71 -1.26 -2.52 120.64 120.51 2qr1 n GLU 176 Ca 0.11 0.36 0.12 0.00 -0.01 0.00 0.00 57.16 57.73 2qr1 n GLU 176 Cb 0.49 -1.50 0.34 0.00 -1.01 0.00 0.00 31.44 29.76 2qr1 n GLU 176 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 2qr1 h THR 177 N 0.00 0.20 0.00 2.62 1.35 -1.91 -3.08 112.91 112.10 2qr1 h THR 177 Ca 0.00 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 2qr1 h THR 177 Cb 0.11 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 2qr1 h THR 177 CO 0.00 0.10 0.00 0.00 -0.25 0.00 0.00 175.52 175.37 2qr1 n ALA 178 N -2.13 1.50 0.65 6.62 0.00 -1.05 -1.24 120.51 124.86 2qr1 n ALA 178 Ca 0.02 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.71 2qr1 n ALA 178 Cb 0.48 -1.37 0.32 0.00 0.00 0.00 0.00 19.45 18.87 2qr1 n ALA 178 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2qr1 n MET 179 N -2.27 0.24 -2.18 0.00 2.81 -1.16 -4.62 117.12 109.94 2qr1 n MET 179 Ca 0.01 0.13 -0.38 0.00 -1.81 0.00 0.00 57.70 55.65 2qr1 n MET 179 Cb 0.18 -1.72 -0.02 0.00 -0.71 0.00 0.00 33.22 30.95 2qr1 n MET 179 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2qr1 n LEU 180 N -2.10 4.53 -0.48 4.03 4.77 -0.37 -4.25 117.00 123.14 2qr1 n LEU 180 Ca 0.05 -3.62 0.08 0.00 -0.03 0.00 0.00 56.01 52.48 2qr1 n LEU 180 Cb 0.42 -1.68 0.19 0.00 -2.33 0.00 0.00 43.42 40.02 2qr1 n LEU 180 CO 0.33 -0.39 0.59 0.54 -1.33 0.00 0.00 177.39 177.13 2qr1 n ARG 181 N 7.93 1.80 -2.99 3.23 1.74 -1.26 -0.40 116.66 126.71 2qr1 n ARG 181 Ca 0.48 -2.82 -0.41 0.00 -0.77 0.00 0.00 57.85 54.34 2qr1 n ARG 181 Cb 0.45 -1.64 -0.05 0.00 -1.02 0.00 0.00 32.46 30.20 2qr1 n ARG 181 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qr1 s VAL 182 N -2.96 4.95 0.27 1.55 1.01 -1.26 -4.96 120.40 119.00 2qr1 s VAL 182 Ca 0.37 1.46 -0.29 0.00 0.00 0.00 0.00 61.98 63.51 2qr1 s VAL 182 Cb 0.32 -4.06 -0.14 0.00 0.00 0.00 0.00 36.38 32.51 2qr1 s VAL 182 CO 0.03 0.09 1.15 -2.65 0.00 0.00 0.00 175.10 173.72 2qr1 n PRO 183 N 4.93 1.57 -0.27 2.72 -0.02 -1.26 -4.34 135.00 138.33 2qr1 n PRO 183 Ca 0.02 0.55 0.01 0.00 -2.02 0.00 0.00 63.50 62.06 2qr1 n PRO 183 Cb 0.49 -2.03 0.08 0.00 -0.02 0.00 0.00 33.50 32.03 2qr1 n PRO 183 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2qr1 h LEU 184 N 2.70 -0.81 0.00 2.45 4.07 -1.01 -1.62 115.31 121.09 2qr1 h LEU 184 Ca -0.42 0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.78 2qr1 h LEU 184 Cb 1.32 0.51 0.00 0.00 1.08 0.00 0.00 40.66 43.57 2qr1 h LEU 184 CO 0.65 -0.27 0.00 -0.46 -1.08 0.00 0.00 178.44 177.28 2qr1 n ASN 185 N -5.50 0.00 -0.02 -0.43 2.04 -0.82 -1.01 115.26 109.51 2qr1 n ASN 185 Ca 0.10 -1.10 0.03 0.00 -0.44 0.00 0.00 54.58 53.18 2qr1 n ASN 185 Cb 0.39 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.62 2qr1 n ASN 185 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2qr1 n GLN 186 N -0.69 4.62 -3.79 -3.83 6.02 -0.62 -4.96 117.38 114.13 2qr1 n GLN 186 Ca 0.06 -0.07 -0.29 0.00 -0.01 0.00 0.00 57.00 56.69 2qr1 n GLN 186 Cb 0.03 -0.81 -0.04 0.00 1.02 0.00 0.00 30.24 30.44 2qr1 n GLN 186 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2qr1 s MET 187 N -1.49 3.51 -0.41 -1.09 -1.94 -0.18 -5.04 119.30 112.65 2qr1 s MET 187 Ca 0.03 -0.36 -0.16 0.00 -1.71 0.00 0.00 55.69 53.49 2qr1 s MET 187 Cb 0.05 -2.92 0.02 0.00 2.01 0.00 0.00 34.83 33.99 2qr1 s MET 187 CO 0.24 0.49 0.39 0.95 -0.01 0.00 0.00 175.02 177.07 2qr1 s THR 188 N -1.71 5.15 -0.26 2.05 -4.23 -1.26 -4.94 115.64 110.43 2qr1 s THR 188 Ca 0.37 -0.44 -0.26 0.00 -1.18 0.00 0.00 61.69 60.19 2qr1 s THR 188 Cb -0.12 -3.99 0.14 0.00 1.34 0.00 0.00 72.50 69.87 2qr1 s THR 188 CO 0.28 -0.37 1.10 -0.51 -0.54 0.00 0.00 174.62 174.57 2qr1 s ILE 189 N 1.98 0.00 0.04 2.99 2.07 -1.26 -5.06 121.20 121.95 2qr1 s ILE 189 Ca 0.10 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.34 2qr1 s ILE 189 Cb -0.18 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.41 2qr1 s ILE 189 CO 0.12 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.76 2qr1 n GLY 190 N 1.81 -2.27 3.81 1.50 0.00 -1.26 -4.92 105.19 103.86 2qr1 n GLY 190 Ca -0.11 -1.45 -0.36 0.00 0.00 0.00 0.00 46.02 44.10 2qr1 n GLY 190 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qr1 s THR 191 N -2.50 5.22 0.00 2.61 2.01 -0.29 -4.95 115.64 117.75 2qr1 s THR 191 Ca 0.00 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.10 2qr1 s THR 191 Cb 0.00 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.23 2qr1 s THR 191 CO 0.00 0.59 0.34 0.79 -0.69 0.00 0.00 174.62 175.65 2qr1 n TRP 192 N 2.25 0.00 -3.67 4.92 7.02 -1.26 -0.33 117.44 126.38 2qr1 n TRP 192 Ca -0.19 -0.06 -0.07 0.00 -1.02 0.00 0.00 57.50 56.16 2qr1 n TRP 192 Cb 0.54 -0.01 -0.02 0.00 -2.42 0.00 0.00 31.31 29.41 2qr1 n TRP 192 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2qr1 s SER 193 N -0.12 -0.33 -1.24 -0.99 1.04 -1.26 -4.77 113.70 106.04 2qr1 s SER 193 Ca 0.00 -0.30 -0.12 0.00 0.48 0.00 0.00 55.95 56.01 2qr1 s SER 193 Cb 0.00 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.68 2qr1 s SER 193 CO 0.00 -1.00 0.67 0.59 0.98 0.00 0.00 173.24 174.48 2qr1 n ASN 194 N -0.41 -3.32 -4.77 7.02 4.13 -1.26 -4.95 115.26 111.70 2qr1 n ASN 194 Ca -0.08 -0.98 -0.39 0.00 1.68 0.00 0.00 54.58 54.80 2qr1 n ASN 194 Cb 0.61 -3.40 -0.06 0.00 -1.54 0.00 0.00 39.78 35.40 2qr1 n ASN 194 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2qr1 s LEU 195 N -6.63 4.49 -0.03 3.41 1.43 -1.26 -5.05 118.68 115.04 2qr1 s LEU 195 Ca 0.27 1.41 -0.25 0.00 -1.03 0.00 0.00 54.13 54.54 2qr1 s LEU 195 Cb -0.10 -3.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.95 2qr1 s LEU 195 CO 0.86 0.12 0.76 0.00 0.23 0.00 0.00 176.35 178.32 2qr1 s ALA 196 N -0.51 3.31 -0.16 4.21 0.00 -1.26 -5.05 121.76 122.30 2qr1 s ALA 196 Ca 0.35 0.23 -0.10 0.00 0.00 0.00 0.00 51.96 52.44 2qr1 s ALA 196 Cb -0.21 -3.02 0.06 0.00 0.00 0.00 0.00 23.12 19.95 2qr1 s ALA 196 CO 0.22 -0.09 0.40 0.95 0.00 0.00 0.00 175.76 177.25 2qr1 s THR 197 N 0.66 -0.02 0.38 0.00 -4.23 -1.26 -4.35 115.64 106.81 2qr1 s THR 197 Ca 0.40 0.08 0.07 0.00 -1.18 0.00 0.00 61.69 61.07 2qr1 s THR 197 Cb -0.19 -0.59 -0.00 0.00 1.34 0.00 0.00 72.50 73.06 2qr1 s THR 197 CO 0.21 0.03 0.51 0.00 -0.54 0.00 0.00 174.62 174.83 2qr1 s ALA 198 N 1.24 4.36 0.39 3.99 0.00 -0.71 -4.96 121.76 126.08 2qr1 s ALA 198 Ca -0.08 -1.58 0.08 0.00 0.00 0.00 0.00 51.96 50.37 2qr1 s ALA 198 Cb -0.08 -1.62 -0.05 0.00 0.00 0.00 0.00 23.12 21.37 2qr1 s ALA 198 CO -0.11 -0.16 0.18 -1.54 0.00 0.00 0.00 175.76 174.14 2qr1 s SER 199 N -4.25 4.51 0.62 0.00 1.04 -1.26 -2.08 113.70 112.28 2qr1 s SER 199 Ca 0.50 -0.99 0.36 0.00 0.48 0.00 0.00 55.95 56.30 2qr1 s SER 199 Cb -0.09 -0.54 2.03 0.00 0.10 0.00 0.00 66.02 67.52 2qr1 s SER 199 CO 0.32 -0.49 2.28 0.24 0.98 0.00 0.00 173.24 176.57 2qr1 h MET 200 N 1.44 0.00 -0.00 4.02 2.86 -1.96 -1.60 114.93 119.70 2qr1 h MET 200 Ca -0.43 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 2qr1 h MET 200 Cb 1.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.91 2qr1 h MET 200 CO 0.67 0.01 -0.23 0.39 1.06 0.00 0.00 176.91 178.82 2qr1 n GLU 201 N -3.49 0.05 -2.28 1.72 4.71 -1.26 -0.59 120.64 119.50 2qr1 n GLU 201 Ca -0.03 -0.02 -0.41 0.00 -0.01 0.00 0.00 57.16 56.70 2qr1 n GLU 201 Cb 0.10 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.00 2qr1 n GLU 201 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2qr1 s THR 202 N -2.96 3.11 0.17 2.62 2.01 -0.60 -4.76 115.64 115.23 2qr1 s THR 202 Ca 0.14 1.08 -0.31 0.00 0.31 0.00 0.00 61.69 62.91 2qr1 s THR 202 Cb 0.18 -3.69 -0.09 0.00 0.01 0.00 0.00 72.50 68.92 2qr1 s THR 202 CO 0.60 0.24 1.40 -0.54 -0.69 0.00 0.00 174.62 175.63 2qr1 s LYS 203 N -1.39 4.32 0.33 4.92 -0.14 -1.26 0.11 119.74 126.62 2qr1 s LYS 203 Ca 0.48 2.15 0.07 0.00 -1.36 0.00 0.00 55.97 57.31 2qr1 s LYS 203 Cb -0.36 -3.19 0.74 0.00 -1.68 0.00 0.00 37.83 33.34 2qr1 s LYS 203 CO 0.46 -0.40 1.84 0.28 -0.76 0.00 0.00 175.35 176.77 2qr1 h VAL 204 N 3.92 0.83 0.00 3.17 2.07 -1.10 -0.74 116.25 124.40 2qr1 h VAL 204 Ca -0.44 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 2qr1 h VAL 204 Cb 1.21 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2qr1 h VAL 204 CO 0.83 0.14 -0.17 0.10 0.02 0.00 0.00 177.57 178.49 2qr1 h TYR 205 N 0.78 0.00 -0.64 1.57 -0.00 -1.72 -1.87 116.97 115.09 2qr1 h TYR 205 Ca 0.49 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 59.15 2qr1 h TYR 205 Cb 0.71 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 37.41 2qr1 h TYR 205 CO -0.00 0.17 0.16 -0.44 -0.00 0.00 0.00 178.16 178.04 2qr1 h ASP 206 N 0.00 0.96 0.66 0.10 3.32 -1.46 0.14 116.42 120.14 2qr1 h ASP 206 Ca -0.00 -0.23 -0.10 0.00 0.02 0.00 0.00 57.03 56.72 2qr1 h ASP 206 Cb 0.31 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2qr1 h ASP 206 CO 0.02 0.95 -0.48 -0.37 -1.72 0.00 0.00 179.24 177.63 2qr1 h VAL 207 N 0.94 1.19 -0.34 -1.35 -1.51 -1.45 0.13 116.25 113.86 2qr1 h VAL 207 Ca 0.20 -1.74 0.02 0.00 -1.23 0.00 0.00 66.70 63.95 2qr1 h VAL 207 Cb 0.36 1.98 -0.03 0.00 -2.13 0.00 0.00 31.29 31.47 2qr1 h VAL 207 CO 0.00 0.47 0.17 0.40 -1.23 0.00 0.00 177.57 177.39 2qr1 h ILE 208 N 0.00 0.99 -0.02 7.19 5.03 -0.96 0.14 117.51 129.87 2qr1 h ILE 208 Ca -0.00 -0.12 0.03 0.00 -0.12 0.00 0.00 64.86 64.65 2qr1 h ILE 208 Cb 0.94 0.60 -0.05 0.00 -3.03 0.00 0.00 36.82 35.28 2qr1 h ILE 208 CO 0.06 0.06 -0.28 0.50 -0.68 0.00 0.00 178.15 177.82 2qr1 h LYS 209 N 0.35 -0.40 -0.40 2.37 3.64 -0.05 -1.50 116.57 120.58 2qr1 h LYS 209 Ca 0.14 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.61 2qr1 h LYS 209 Cb 0.05 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 2qr1 h LYS 209 CO -0.10 -0.26 0.09 0.52 -2.27 0.00 0.00 179.45 177.43 2qr1 h MET 210 N -0.41 0.21 -0.25 1.90 2.86 -0.36 -0.81 114.93 118.07 2qr1 h MET 210 Ca 0.07 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2qr1 h MET 210 Cb 0.51 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 2qr1 h MET 210 CO -0.26 0.14 0.15 -0.07 1.06 0.00 0.00 176.91 177.93 2qr1 h LEU 211 N 0.22 0.24 -0.38 1.22 3.38 -0.34 -0.06 115.31 119.59 2qr1 h LEU 211 Ca 0.19 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 2qr1 h LEU 211 Cb 0.23 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2qr1 h LEU 211 CO -0.25 0.17 0.03 0.00 0.09 0.00 0.00 178.44 178.48 2qr1 h ALA 212 N 1.11 0.51 -0.23 1.53 0.00 -0.96 -0.39 119.26 120.83 2qr1 h ALA 212 Ca 0.10 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 2qr1 h ALA 212 Cb -0.00 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.65 2qr1 h ALA 212 CO -0.05 0.25 -0.65 0.93 0.00 0.00 0.00 179.25 179.73 2qr1 h GLU 213 N 0.48 0.85 -0.01 0.00 5.08 -0.86 -2.75 114.58 117.38 2qr1 h GLU 213 Ca 0.11 -0.61 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2qr1 h GLU 213 Cb 0.42 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2qr1 h GLU 213 CO 0.01 1.23 -0.28 1.63 -1.00 0.00 0.00 179.01 180.60 2qr1 n LYS 214 N -3.98 0.77 -3.85 2.33 5.02 -0.06 -3.62 118.16 114.77 2qr1 n LYS 214 Ca -0.06 -0.45 -0.35 0.00 -2.02 0.00 0.00 58.31 55.43 2qr1 n LYS 214 Cb 0.68 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 34.23 2qr1 n LYS 214 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2qr1 n ASN 215 N -0.72 -4.13 -4.37 4.39 5.15 -0.20 -5.00 115.26 110.38 2qr1 n ASN 215 Ca 0.12 -1.11 -0.20 0.00 -0.60 0.00 0.00 54.58 52.79 2qr1 n ASN 215 Cb 0.35 -2.79 -0.10 0.00 -0.53 0.00 0.00 39.78 36.71 2qr1 n ASN 215 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2qr1 s ILE 216 N -3.58 1.91 -0.99 -1.44 -4.36 -0.93 -4.84 121.20 106.97 2qr1 s ILE 216 Ca 0.41 -2.25 0.22 0.00 -0.26 0.00 0.00 60.65 58.76 2qr1 s ILE 216 Cb -0.17 -2.10 -0.18 0.00 1.25 0.00 0.00 42.46 41.26 2qr1 s ILE 216 CO 0.90 -0.54 1.00 -1.54 0.24 0.00 0.00 174.94 175.00 2qr1 n SER 217 N -0.42 0.89 -3.55 4.36 3.41 -1.26 -4.69 113.62 112.35 2qr1 n SER 217 Ca -0.07 -0.84 -0.17 0.00 -0.26 0.00 0.00 58.87 57.53 2qr1 n SER 217 Cb 0.60 0.86 -0.06 0.00 -0.26 0.00 0.00 64.21 65.34 2qr1 n SER 217 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qr1 s ALA 218 N -3.01 -1.67 -0.12 7.33 0.00 -1.26 -1.55 121.76 121.48 2qr1 s ALA 218 Ca 0.08 1.30 0.01 0.00 0.00 0.00 0.00 51.96 53.36 2qr1 s ALA 218 Cb 0.16 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.18 2qr1 s ALA 218 CO 0.84 -0.36 -0.14 0.08 0.00 0.00 0.00 175.76 176.18 2qr1 s VAL 219 N -1.03 1.46 0.56 0.00 1.01 0.10 -4.99 120.40 117.51 2qr1 s VAL 219 Ca -0.10 -0.60 -0.19 0.00 0.00 0.00 0.00 61.98 61.09 2qr1 s VAL 219 Cb -0.01 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 2qr1 s VAL 219 CO 0.08 0.44 1.12 -2.16 0.00 0.00 0.00 175.10 174.59 2qr1 s PRO 220 N 1.18 3.30 -0.15 2.72 0.04 -1.26 -0.75 135.00 140.07 2qr1 s PRO 220 Ca -0.03 1.58 0.01 0.00 0.04 0.00 0.00 61.00 62.60 2qr1 s PRO 220 Cb -0.14 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2qr1 s PRO 220 CO -0.04 -0.89 -0.18 0.42 0.04 0.00 0.00 177.00 176.35 2qr1 s ILE 221 N -1.85 2.40 0.35 0.56 1.01 0.69 -1.74 121.20 122.62 2qr1 s ILE 221 Ca 0.72 -0.86 0.09 0.00 0.00 0.00 0.00 60.65 60.60 2qr1 s ILE 221 Cb -0.23 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.19 2qr1 s ILE 221 CO 0.29 0.53 0.04 0.68 0.00 0.00 0.00 174.94 176.47 2qr1 s VAL 222 N 0.90 2.64 0.00 2.92 -7.23 -0.88 0.41 120.40 119.15 2qr1 s VAL 222 Ca -0.04 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 2qr1 s VAL 222 Cb -0.15 -2.84 0.00 0.00 0.56 0.00 0.00 36.38 33.95 2qr1 s VAL 222 CO -0.02 -0.18 0.00 -0.46 -0.31 0.00 0.00 175.10 174.13 2qr1 n ASN 223 N -1.00 0.00 0.11 4.85 0.23 -0.37 -4.34 115.26 114.74 2qr1 n ASN 223 Ca -0.04 -0.19 -0.04 0.00 -0.53 0.00 0.00 54.58 53.79 2qr1 n ASN 223 Cb 0.62 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 38.39 2qr1 n ASN 223 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2qr1 h SER 224 N 0.00 0.02 -0.06 0.53 4.64 -2.01 -3.01 113.55 113.67 2qr1 h SER 224 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2qr1 h SER 224 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2qr1 h SER 224 CO 0.00 0.76 0.00 -0.62 -0.87 0.00 0.00 176.83 176.10 2qr1 n GLU 225 N -3.66 1.23 -0.32 4.77 1.02 -1.26 -4.88 120.64 117.54 2qr1 n GLU 225 Ca -0.01 -0.35 0.00 0.00 -0.02 0.00 0.00 57.16 56.78 2qr1 n GLU 225 Cb 0.73 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 2qr1 n GLU 225 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qr1 n GLY 226 N 0.87 0.88 3.79 0.62 0.00 -1.14 -5.01 105.19 105.20 2qr1 n GLY 226 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 2qr1 n GLY 226 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2qr1 s THR 227 N -2.75 4.37 -0.18 2.61 -1.32 -1.26 -3.04 115.64 114.06 2qr1 s THR 227 Ca 0.00 1.61 -0.29 0.00 -1.21 0.00 0.00 61.69 61.80 2qr1 s THR 227 Cb 0.00 -4.00 -0.00 0.00 -1.51 0.00 0.00 72.50 66.99 2qr1 s THR 227 CO 0.00 0.27 1.10 -0.22 -2.21 0.00 0.00 174.62 173.56 2qr1 s LEU 228 N -1.78 4.16 -0.23 9.08 0.20 0.24 -1.24 118.68 129.10 2qr1 s LEU 228 Ca 0.44 1.51 -0.13 0.00 0.69 0.00 0.00 54.13 56.64 2qr1 s LEU 228 Cb -0.19 -3.54 -0.10 0.00 -0.43 0.00 0.00 46.19 41.93 2qr1 s LEU 228 CO 0.24 -0.65 -0.32 0.18 -0.29 0.00 0.00 176.35 175.50 2qr1 n LEU 229 N 6.11 1.77 0.00 -0.68 4.77 0.17 -4.96 117.00 124.17 2qr1 n LEU 229 Ca 0.12 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2qr1 n LEU 229 Cb 0.46 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2qr1 n LEU 229 CO 0.53 0.36 0.00 -3.20 -1.33 0.00 0.00 177.39 173.75 2qr1 n ASN 230 N -4.16 0.00 -3.77 -1.43 2.85 -1.00 -5.00 115.26 102.76 2qr1 n ASN 230 Ca -0.42 -0.60 -0.14 0.00 -0.11 0.00 0.00 54.58 53.31 2qr1 n ASN 230 Cb 0.77 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.65 2qr1 n ASN 230 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2qr1 s VAL 231 N -2.77 -0.05 -0.21 3.44 0.11 -1.26 -0.22 120.40 119.44 2qr1 s VAL 231 Ca 0.00 0.17 -0.08 0.00 -2.93 0.00 0.00 61.98 59.14 2qr1 s VAL 231 Cb 0.00 -0.18 -0.04 0.00 -1.53 0.00 0.00 36.38 34.64 2qr1 s VAL 231 CO 0.00 0.07 0.07 -0.47 -3.33 0.00 0.00 175.10 171.44 2qr1 s TYR 232 N 1.00 3.19 0.11 1.54 6.14 0.08 -4.95 117.35 124.46 2qr1 s TYR 232 Ca -0.08 -0.06 0.04 0.00 0.64 0.00 0.00 57.07 57.61 2qr1 s TYR 232 Cb -0.11 -2.14 -0.04 0.00 0.42 0.00 0.00 41.96 40.09 2qr1 s TYR 232 CO -0.04 -0.02 -0.11 -1.83 0.64 0.00 0.00 175.55 174.19 2qr1 s GLU 233 N 0.82 0.94 0.42 4.97 -1.05 -1.26 0.01 118.70 123.56 2qr1 s GLU 233 Ca 0.04 -1.24 0.20 0.00 -0.15 0.00 0.00 54.97 53.82 2qr1 s GLU 233 Cb -0.14 -0.66 1.09 0.00 -0.44 0.00 0.00 34.13 33.98 2qr1 s GLU 233 CO 0.02 0.11 1.56 0.66 0.95 0.00 0.00 175.26 178.56 2qr1 h SER 234 N 3.40 0.00 1.11 0.83 4.64 -1.64 0.37 113.55 122.26 2qr1 h SER 234 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2qr1 h SER 234 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2qr1 h SER 234 CO 0.54 0.00 -0.44 -0.37 -0.87 0.00 0.00 176.83 175.70 2qr1 h VAL 235 N 0.00 0.00 0.00 0.95 -1.51 -1.96 -3.15 116.25 110.59 2qr1 h VAL 235 Ca 0.00 -0.55 -0.06 0.00 -1.23 0.00 0.00 66.70 64.86 2qr1 h VAL 235 Cb 0.50 1.26 -0.01 0.00 -2.13 0.00 0.00 31.29 30.91 2qr1 h VAL 235 CO 0.00 0.00 -0.29 0.44 -1.23 0.00 0.00 177.57 176.49 2qr1 h ASP 236 N 0.00 0.00 -0.96 4.19 3.32 -0.67 -3.10 116.42 119.20 2qr1 h ASP 236 Ca 0.00 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.16 2qr1 h ASP 236 Cb 0.77 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.24 2qr1 h ASP 236 CO 0.00 0.29 0.59 0.58 -1.72 0.00 0.00 179.24 178.98 2qr1 h VAL 237 N 0.00 0.93 -0.37 -1.35 2.07 -1.63 -1.07 116.25 114.83 2qr1 h VAL 237 Ca -0.00 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.23 2qr1 h VAL 237 Cb 0.63 -0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 2qr1 h VAL 237 CO 0.04 0.17 0.16 -0.03 0.02 0.00 0.00 177.57 177.93 2qr1 h MET 238 N 0.96 0.32 -0.14 1.57 1.85 -1.72 -1.27 114.93 116.50 2qr1 h MET 238 Ca 0.47 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.54 2qr1 h MET 238 Cb 0.43 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.38 2qr1 h MET 238 CO -0.26 0.21 0.08 0.45 -0.40 0.00 0.00 176.91 177.00 2qr1 h HIS 239 N 0.33 0.18 -0.26 1.39 -0.00 -1.33 0.28 115.15 115.74 2qr1 h HIS 239 Ca 0.16 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 60.36 2qr1 h HIS 239 Cb 0.11 -0.06 -0.00 0.00 -0.00 0.00 0.00 27.41 27.45 2qr1 h HIS 239 CO -0.12 0.13 -0.52 1.25 -0.00 0.00 0.00 177.93 178.66 2qr1 h LEU 240 N 0.19 0.85 0.00 2.43 5.85 -0.88 -3.36 115.31 120.38 2qr1 h LEU 240 Ca 0.05 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2qr1 h LEU 240 Cb 0.00 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.79 2qr1 h LEU 240 CO -0.01 1.21 -1.04 2.30 -0.34 0.00 0.00 178.44 180.56 2qr1 n ILE 241 N -4.00 0.00 0.00 4.05 -5.35 -0.55 -4.55 119.36 108.96 2qr1 n ILE 241 Ca -0.04 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 2qr1 n ILE 241 Cb 0.61 0.77 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 2qr1 n ILE 241 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2qr1 n GLN 242 N -1.57 0.00 -0.01 6.28 10.64 0.89 -0.64 117.38 132.96 2qr1 n GLN 242 Ca 0.02 0.22 0.04 0.00 -1.83 0.00 0.00 57.00 55.44 2qr1 n GLN 242 Cb 0.31 -1.72 0.04 0.00 -0.86 0.00 0.00 30.24 28.01 2qr1 n GLN 242 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 2qr1 n ASP 243 N -1.19 1.75 -0.52 2.61 5.68 -1.26 -4.74 116.55 118.89 2qr1 n ASP 243 Ca 0.00 -1.39 -0.06 0.00 -0.50 0.00 0.00 54.79 52.84 2qr1 n ASP 243 Cb 0.22 -0.02 -0.02 0.00 -1.14 0.00 0.00 41.12 40.16 2qr1 n ASP 243 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qr1 n GLY 244 N 0.41 0.69 3.11 6.12 0.00 0.19 -5.00 105.19 110.71 2qr1 n GLY 244 Ca 0.05 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 2qr1 n GLY 244 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qr1 s ASP 245 N -2.89 5.31 0.32 1.61 2.15 -1.26 -4.92 116.67 116.98 2qr1 s ASP 245 Ca 0.00 -2.81 0.26 0.00 0.43 0.00 0.00 52.55 50.43 2qr1 s ASP 245 Cb 0.00 -1.87 0.80 0.00 -0.30 0.00 0.00 42.92 41.55 2qr1 s ASP 245 CO 0.00 -0.39 1.75 1.88 -0.17 0.00 0.00 175.17 178.24 2qr1 h TYR 246 N 7.11 0.00 0.00 -5.34 -1.99 -1.92 -2.42 116.97 112.41 2qr1 h TYR 246 Ca -0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.71 2qr1 h TYR 246 Cb 0.96 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.69 2qr1 h TYR 246 CO 0.71 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.74 2qr1 n SER 247 N -2.57 0.00 0.12 3.88 3.41 -1.26 -0.74 113.62 116.46 2qr1 n SER 247 Ca 0.04 0.43 0.12 0.00 -0.26 0.00 0.00 58.87 59.20 2qr1 n SER 247 Cb 0.40 -0.45 0.46 0.00 -0.26 0.00 0.00 64.21 64.36 2qr1 n SER 247 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2qr1 n ASN 248 N -1.45 0.72 0.16 4.04 3.02 -0.91 -2.35 115.26 118.48 2qr1 n ASN 248 Ca 0.03 0.63 0.13 0.00 -0.03 0.00 0.00 54.58 55.33 2qr1 n ASN 248 Cb 0.10 -0.80 0.53 0.00 -0.61 0.00 0.00 39.78 39.00 2qr1 n ASN 248 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2qr1 h LEU 249 N 0.00 0.00 -1.27 3.41 3.38 -1.16 -2.36 115.31 117.31 2qr1 h LEU 249 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qr1 h LEU 249 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2qr1 h LEU 249 CO 0.00 0.00 -0.01 0.47 0.09 0.00 0.00 178.44 178.99 2qr1 n ASP 250 N -2.37 1.99 -4.78 -0.43 9.92 -0.99 -2.28 116.55 117.61 2qr1 n ASP 250 Ca 0.02 -1.65 -0.31 0.00 -0.53 0.00 0.00 54.79 52.31 2qr1 n ASP 250 Cb 0.23 0.01 0.08 0.00 -0.64 0.00 0.00 41.12 40.80 2qr1 n ASP 250 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2qr1 s LEU 251 N -2.02 3.12 0.49 0.64 1.43 -0.89 -4.78 118.68 116.67 2qr1 s LEU 251 Ca 0.34 1.82 -0.15 0.00 -1.03 0.00 0.00 54.13 55.11 2qr1 s LEU 251 Cb 0.21 -4.52 -0.08 0.00 0.03 0.00 0.00 46.19 41.83 2qr1 s LEU 251 CO 0.33 -1.86 0.94 -0.94 0.23 0.00 0.00 176.35 175.06 2qr1 s SER 252 N -3.30 6.60 0.31 2.29 1.04 -1.26 -0.86 113.70 118.52 2qr1 s SER 252 Ca 0.62 1.48 0.08 0.00 0.48 0.00 0.00 55.95 58.61 2qr1 s SER 252 Cb -0.17 -2.47 0.87 0.00 0.10 0.00 0.00 66.02 64.35 2qr1 s SER 252 CO 0.53 -0.55 1.68 0.58 0.98 0.00 0.00 173.24 176.46 2qr1 h VAL 253 N 0.93 0.40 0.19 5.02 2.07 0.79 -1.57 116.25 124.07 2qr1 h VAL 253 Ca -0.47 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 2qr1 h VAL 253 Cb 1.19 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2qr1 h VAL 253 CO 0.62 0.07 -0.26 1.23 0.02 0.00 0.00 177.57 179.24 2qr1 h GLY 254 N 0.37 -1.06 1.38 2.17 0.00 -1.11 -0.63 103.07 104.20 2qr1 h GLY 254 Ca 0.63 0.50 0.08 0.00 0.00 0.00 0.00 47.33 48.54 2qr1 h GLY 254 CO -0.57 -0.34 0.24 0.83 0.00 0.00 0.00 176.54 176.70 2qr1 h GLU 255 N -0.47 0.11 -0.02 4.80 5.08 -1.61 -0.80 114.58 121.68 2qr1 h GLU 255 Ca -0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2qr1 h GLU 255 Cb 0.42 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 2qr1 h GLU 255 CO -0.07 0.08 -0.04 0.00 -1.00 0.00 0.00 179.01 177.97 2qr1 h ALA 256 N 1.82 0.04 -0.73 3.43 0.00 -1.08 -3.12 119.26 119.62 2qr1 h ALA 256 Ca 0.16 -0.29 0.14 0.00 0.00 0.00 0.00 54.91 54.92 2qr1 h ALA 256 Cb 0.48 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 2qr1 h ALA 256 CO -0.02 -0.16 0.49 -0.07 0.00 0.00 0.00 179.25 179.49 2qr1 h LEU 257 N -0.45 0.39 0.00 0.00 4.07 0.33 -0.36 115.31 119.30 2qr1 h LEU 257 Ca 0.00 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2qr1 h LEU 257 Cb 0.59 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.27 2qr1 h LEU 257 CO 0.01 0.21 0.00 0.18 -1.08 0.00 0.00 178.44 177.76 2qr1 n LEU 258 N -4.48 0.00 -0.76 1.67 4.77 -0.85 -0.96 117.00 116.40 2qr1 n LEU 258 Ca 0.14 0.37 0.08 0.00 -0.03 0.00 0.00 56.01 56.57 2qr1 n LEU 258 Cb 0.50 -0.37 0.12 0.00 -2.33 0.00 0.00 43.42 41.35 2qr1 n LEU 258 CO 0.33 -0.32 0.57 0.29 -1.33 0.00 0.00 177.39 176.94 2qr1 n LYS 259 N -1.37 1.82 -2.25 3.23 5.02 -0.14 -4.98 118.16 119.50 2qr1 n LYS 259 Ca 0.02 -1.78 -0.42 0.00 -2.02 0.00 0.00 58.31 54.11 2qr1 n LYS 259 Cb 0.04 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 2qr1 n LYS 259 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2qr1 s ARG 260 N -1.25 4.32 0.46 1.97 3.52 -0.13 -5.01 118.95 122.84 2qr1 s ARG 260 Ca 0.25 1.96 -0.22 0.00 -0.13 0.00 0.00 55.73 57.58 2qr1 s ARG 260 Cb 0.15 -3.45 -0.08 0.00 -1.56 0.00 0.00 34.95 30.02 2qr1 s ARG 260 CO 0.22 -0.48 1.10 -1.25 -0.81 0.00 0.00 175.30 174.07 2qr1 s PRO 261 N 1.83 3.81 0.00 5.12 0.04 -1.26 -4.90 135.00 139.64 2qr1 s PRO 261 Ca 0.63 1.57 0.16 0.00 0.04 0.00 0.00 61.00 63.40 2qr1 s PRO 261 Cb -0.32 -2.30 0.93 0.00 0.04 0.00 0.00 34.50 32.85 2qr1 s PRO 261 CO 0.28 -0.46 1.34 0.00 0.04 0.00 0.00 177.00 178.20 2qr1 n ALA 262 N -0.62 2.10 0.11 8.56 0.00 -1.26 -2.89 120.51 126.50 2qr1 n ALA 262 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2qr1 n ALA 262 Cb 0.50 -1.25 0.02 0.00 0.00 0.00 0.00 19.45 18.72 2qr1 n ALA 262 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2qr1 n ASN 263 N -0.98 0.00 -4.77 0.00 5.15 -1.26 -4.87 115.26 108.52 2qr1 n ASN 263 Ca 0.12 -0.09 -0.37 0.00 -0.60 0.00 0.00 54.58 53.64 2qr1 n ASN 263 Cb 0.05 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.29 2qr1 n ASN 263 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2qr1 s PHE 264 N -2.00 2.87 -0.77 1.20 5.36 -1.14 -4.97 117.98 118.53 2qr1 s PHE 264 Ca 0.01 1.54 0.26 0.00 -0.96 0.00 0.00 56.93 57.78 2qr1 s PHE 264 Cb 0.00 -3.37 0.77 0.00 -0.34 0.00 0.00 43.02 40.09 2qr1 s PHE 264 CO 0.01 -1.49 1.70 -0.25 -1.46 0.00 0.00 175.22 173.72 2qr1 n ASP 265 N -0.53 0.65 0.00 6.13 8.00 -1.26 -5.04 116.55 124.50 2qr1 n ASP 265 Ca 0.08 0.44 0.00 0.00 0.71 0.00 0.00 54.79 56.01 2qr1 n ASP 265 Cb 0.48 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 2qr1 n ASP 265 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qr1 n GLY 266 N 1.35 0.06 3.64 0.44 0.00 -1.26 -4.83 105.19 104.59 2qr1 n GLY 266 Ca 0.05 -1.65 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 2qr1 n GLY 266 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qr1 s VAL 267 N -2.96 5.18 -0.12 1.61 1.01 -1.26 -4.87 120.40 118.99 2qr1 s VAL 267 Ca 0.00 0.65 -0.03 0.00 0.00 0.00 0.00 61.98 62.60 2qr1 s VAL 267 Cb 0.00 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2qr1 s VAL 267 CO 0.00 0.20 -0.00 -1.00 0.00 0.00 0.00 175.10 174.30 2qr1 s HIS 268 N 1.71 3.13 0.27 5.22 3.76 -1.26 -5.05 115.29 123.07 2qr1 s HIS 268 Ca 0.17 0.05 0.05 0.00 -0.15 0.00 0.00 55.06 55.18 2qr1 s HIS 268 Cb -0.15 -1.87 -0.06 0.00 1.11 0.00 0.00 32.58 31.61 2qr1 s HIS 268 CO 0.09 0.30 -0.02 0.95 -0.85 0.00 0.00 174.74 175.21 2qr1 s THR 269 N -0.41 1.34 0.32 1.30 -4.23 -1.26 -1.22 115.64 111.48 2qr1 s THR 269 Ca 0.08 -2.07 -0.09 0.00 -1.18 0.00 0.00 61.69 58.43 2qr1 s THR 269 Cb -0.12 -2.47 0.01 0.00 1.34 0.00 0.00 72.50 71.26 2qr1 s THR 269 CO 0.02 -0.26 0.55 0.00 -0.54 0.00 0.00 174.62 174.39 2qr1 s ARG 271 N -3.25 3.14 0.04 0.00 0.52 -1.26 -1.00 118.95 117.15 2qr1 s ARG 271 Ca 0.24 -0.63 0.03 0.00 -0.52 0.00 0.00 55.73 54.85 2qr1 s ARG 271 Cb -0.02 -2.85 0.15 0.00 0.52 0.00 0.00 34.95 32.76 2qr1 s ARG 271 CO 0.14 0.56 1.08 0.00 0.02 0.00 0.00 175.30 177.10 2qr1 n ALA 272 N 0.10 0.99 0.61 2.13 0.00 -1.26 0.18 120.51 123.26 2qr1 n ALA 272 Ca -0.07 0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.49 2qr1 n ALA 272 Cb 0.52 -1.02 0.11 0.00 0.00 0.00 0.00 19.45 19.06 2qr1 n ALA 272 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2qr1 n THR 273 N -1.59 0.16 -1.23 0.00 -2.24 -1.26 -1.95 114.28 106.18 2qr1 n THR 273 Ca -0.00 -0.58 -0.30 0.00 -2.27 0.00 0.00 64.05 60.90 2qr1 n THR 273 Cb 0.01 1.25 0.21 0.00 -2.10 0.00 0.00 70.33 69.70 2qr1 n THR 273 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2qr1 s ASP 274 N -1.47 1.65 0.26 3.42 -0.00 0.13 -4.66 116.67 116.00 2qr1 s ASP 274 Ca 0.25 0.71 0.00 0.00 -0.00 0.00 0.00 52.55 53.51 2qr1 s ASP 274 Cb 0.16 -1.03 -0.03 0.00 -0.00 0.00 0.00 42.92 42.02 2qr1 s ASP 274 CO 0.24 -3.68 0.24 0.00 -0.00 0.00 0.00 175.17 171.97 2qr1 s ARG 275 N -5.37 1.47 0.27 8.23 1.70 -1.26 -0.85 118.95 123.14 2qr1 s ARG 275 Ca 0.70 -1.73 0.02 0.00 -0.47 0.00 0.00 55.73 54.24 2qr1 s ARG 275 Cb -0.11 0.32 0.39 0.00 -0.57 0.00 0.00 34.95 34.98 2qr1 s ARG 275 CO 0.56 -0.53 1.71 -0.07 -1.08 0.00 0.00 175.30 175.89 2qr1 h LEU 276 N 2.39 0.52 -1.37 -1.89 -0.00 -1.74 -2.96 115.31 110.26 2qr1 h LEU 276 Ca -0.31 -0.17 0.01 0.00 -0.00 0.00 0.00 57.88 57.41 2qr1 h LEU 276 Cb 1.24 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 41.73 2qr1 h LEU 276 CO 0.45 0.76 0.43 -2.24 -0.00 0.00 0.00 178.44 177.84 2qr1 h ASP 277 N 0.46 0.73 -0.02 -0.43 -0.00 -0.86 0.47 116.42 116.77 2qr1 h ASP 277 Ca 0.07 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.03 57.07 2qr1 h ASP 277 Cb 0.67 -0.18 -0.00 0.00 -0.00 0.00 0.00 39.33 39.82 2qr1 h ASP 277 CO 0.05 0.52 -0.02 1.23 -0.00 0.00 0.00 179.24 181.02 2qr1 h GLY 278 N 0.86 0.05 1.03 7.15 0.00 -1.81 -2.57 103.07 107.77 2qr1 h GLY 278 Ca 0.24 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 2qr1 h GLY 278 CO -0.06 0.04 0.46 0.16 0.00 0.00 0.00 176.54 177.15 2qr1 h ILE 279 N -0.44 1.26 0.00 2.60 -0.00 -1.18 0.50 117.51 120.25 2qr1 h ILE 279 Ca 0.00 -0.66 -0.04 0.00 -0.00 0.00 0.00 64.86 64.16 2qr1 h ILE 279 Cb 0.52 0.10 -0.01 0.00 -0.00 0.00 0.00 36.82 37.43 2qr1 h ILE 279 CO 0.00 0.29 -0.20 -0.26 -0.00 0.00 0.00 178.15 177.99 2qr1 h PHE 280 N 1.22 0.00 0.00 0.16 -1.00 -0.16 -1.46 116.94 115.71 2qr1 h PHE 280 Ca 0.30 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.98 2qr1 h PHE 280 Cb 0.05 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.60 2qr1 h PHE 280 CO 0.01 0.20 -0.57 0.38 -1.61 0.00 0.00 178.31 176.72 2qr1 h ASP 281 N 0.00 0.00 0.25 2.17 3.04 -0.71 -2.88 116.42 118.30 2qr1 h ASP 281 Ca -0.00 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.78 2qr1 h ASP 281 Cb 0.40 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.69 2qr1 h ASP 281 CO 0.03 0.50 -0.12 0.00 -2.04 0.00 0.00 179.24 177.60 2qr1 h ALA 282 N 1.50 -0.34 0.00 4.15 0.00 -0.06 -2.87 119.26 121.65 2qr1 h ALA 282 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2qr1 h ALA 282 Cb 1.39 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2qr1 h ALA 282 CO 0.06 -0.52 0.00 -0.84 0.00 0.00 0.00 179.25 177.95 2qr1 h ILE 283 N -0.68 0.00 0.00 0.00 3.07 -1.38 0.32 117.51 118.85 2qr1 h ILE 283 Ca -0.03 -0.08 -0.00 0.00 1.55 0.00 0.00 64.86 66.29 2qr1 h ILE 283 Cb 0.47 1.07 -0.00 0.00 -0.27 0.00 0.00 36.82 38.09 2qr1 h ILE 283 CO 0.06 0.00 -0.00 0.50 -1.05 0.00 0.00 178.15 177.65 2qr1 h LYS 284 N 0.00 0.00 0.00 0.16 3.64 -1.27 -3.33 116.57 115.76 2qr1 h LYS 284 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2qr1 h LYS 284 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2qr1 h LYS 284 CO 0.00 0.00 -0.33 0.72 -2.27 0.00 0.00 179.45 177.58 2qr1 n HIS 285 N -3.09 0.00 -4.26 1.91 8.25 0.94 -5.05 115.22 113.92 2qr1 n HIS 285 Ca -0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 2qr1 n HIS 285 Cb 0.26 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.30 2qr1 n HIS 285 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2qr1 s SER 286 N -1.07 1.56 -0.80 0.41 0.01 -0.11 -5.07 113.70 108.62 2qr1 s SER 286 Ca 0.00 -1.72 0.02 0.00 1.31 0.00 0.00 55.95 55.56 2qr1 s SER 286 Cb 0.00 0.57 0.30 0.00 0.21 0.00 0.00 66.02 67.10 2qr1 s SER 286 CO 0.00 -1.09 1.16 -1.14 0.41 0.00 0.00 173.24 172.58 2qr1 n ARG 287 N -0.61 3.69 -2.11 12.44 0.63 -1.26 -4.58 116.66 124.87 2qr1 n ARG 287 Ca 0.07 -4.70 -0.42 0.00 -0.92 0.00 0.00 57.85 51.88 2qr1 n ARG 287 Cb 0.62 -2.35 -0.03 0.00 0.45 0.00 0.00 32.46 31.15 2qr1 n ARG 287 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2qr1 s VAL 288 N -3.39 3.09 -0.05 5.15 1.01 -1.26 -4.92 120.40 120.04 2qr1 s VAL 288 Ca 0.40 0.81 0.17 0.00 0.00 0.00 0.00 61.98 63.35 2qr1 s VAL 288 Cb 0.17 -3.52 -0.25 0.00 0.00 0.00 0.00 36.38 32.78 2qr1 s VAL 288 CO -0.03 0.07 0.32 1.41 0.00 0.00 0.00 175.10 176.87 2qr1 n HIS 289 N 3.69 0.00 -3.55 5.22 8.25 -1.26 -4.99 115.22 122.59 2qr1 n HIS 289 Ca 0.11 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.50 2qr1 n HIS 289 Cb 0.41 -0.47 -0.02 0.00 1.12 0.00 0.00 29.99 31.03 2qr1 n HIS 289 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2qr1 s ARG 290 N -3.04 0.60 -0.12 -0.41 1.70 -1.26 -3.68 118.95 112.74 2qr1 s ARG 290 Ca -0.07 -0.18 -0.01 0.00 -0.47 0.00 0.00 55.73 55.00 2qr1 s ARG 290 Cb 0.10 0.28 -0.02 0.00 -0.57 0.00 0.00 34.95 34.73 2qr1 s ARG 290 CO 0.70 -0.26 -0.08 -0.51 -1.08 0.00 0.00 175.30 174.08 2qr1 s LEU 291 N -2.20 3.04 -0.20 -1.89 1.02 -0.33 -4.28 118.68 113.84 2qr1 s LEU 291 Ca 0.06 -0.16 -0.18 0.00 0.02 0.00 0.00 54.13 53.86 2qr1 s LEU 291 Cb -0.01 -1.69 -0.03 0.00 0.02 0.00 0.00 46.19 44.48 2qr1 s LEU 291 CO -0.06 0.24 0.52 -0.36 0.02 0.00 0.00 176.35 176.70 2qr1 s PHE 292 N -0.05 3.37 -0.23 0.29 0.40 -0.36 -0.81 117.98 120.59 2qr1 s PHE 292 Ca -0.00 0.77 -0.27 0.00 -0.60 0.00 0.00 56.93 56.83 2qr1 s PHE 292 Cb -0.14 -2.67 0.00 0.00 0.51 0.00 0.00 43.02 40.73 2qr1 s PHE 292 CO 0.03 -0.10 0.95 0.08 0.70 0.00 0.00 175.22 176.87 2qr1 s VAL 293 N 1.65 4.75 0.33 -0.44 1.01 -0.66 -2.16 120.40 124.88 2qr1 s VAL 293 Ca 0.24 1.83 0.07 0.00 0.00 0.00 0.00 61.98 64.12 2qr1 s VAL 293 Cb -0.15 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 31.94 2qr1 s VAL 293 CO 0.10 -0.12 -0.03 0.68 0.00 0.00 0.00 175.10 175.72 2qr1 s VAL 294 N 2.97 1.78 0.31 2.92 -7.23 -0.17 -0.52 120.40 120.46 2qr1 s VAL 294 Ca 0.40 -2.10 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 2qr1 s VAL 294 Cb -0.15 -2.67 0.06 0.00 0.56 0.00 0.00 36.38 34.18 2qr1 s VAL 294 CO 0.07 -0.16 0.42 -0.90 -0.31 0.00 0.00 175.10 174.22 2qr1 n ASP 295 N -0.73 0.65 -0.29 4.85 5.75 -0.69 -4.21 116.55 121.89 2qr1 n ASP 295 Ca -0.05 -1.53 -0.05 0.00 -0.01 0.00 0.00 54.79 53.15 2qr1 n ASP 295 Cb 0.65 -0.27 -0.04 0.00 -1.03 0.00 0.00 41.12 40.43 2qr1 n ASP 295 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2qr1 n GLU 296 N -1.76 -0.26 -1.37 0.11 4.71 -1.26 -2.15 120.64 118.66 2qr1 n GLU 296 Ca 0.07 1.07 -0.34 0.00 -0.01 0.00 0.00 57.16 57.95 2qr1 n GLU 296 Cb 0.26 -1.58 0.08 0.00 -1.01 0.00 0.00 31.44 29.19 2qr1 n GLU 296 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2qr1 n ASN 297 N -4.93 7.41 -3.22 1.62 3.02 -1.26 -4.89 115.26 113.01 2qr1 n ASN 297 Ca 0.03 -3.78 -0.23 0.00 -0.03 0.00 0.00 54.58 50.57 2qr1 n ASN 297 Cb 0.22 -0.94 0.02 0.00 -0.61 0.00 0.00 39.78 38.47 2qr1 n ASN 297 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2qr1 n LEU 298 N -0.92 -2.16 -4.74 3.41 4.77 -0.91 -4.85 117.00 111.60 2qr1 n LEU 298 Ca 0.62 -0.35 -0.40 0.00 -0.03 0.00 0.00 56.01 55.84 2qr1 n LEU 298 Cb 0.71 -2.57 -0.05 0.00 -2.33 0.00 0.00 43.42 39.19 2qr1 n LEU 298 CO 0.77 0.21 0.51 -0.54 -1.33 0.00 0.00 177.39 177.01 2qr1 s LYS 299 N -5.89 4.54 0.25 3.23 1.02 -1.26 -0.59 119.74 121.04 2qr1 s LYS 299 Ca 0.37 1.15 -0.30 0.00 0.02 0.00 0.00 55.97 57.21 2qr1 s LYS 299 Cb -0.18 -3.36 -0.10 0.00 -0.52 0.00 0.00 37.83 33.67 2qr1 s LYS 299 CO 0.45 0.28 1.48 -1.17 -0.92 0.00 0.00 175.35 175.48 2qr1 s LEU 300 N -0.09 4.38 0.00 3.17 2.96 -1.17 -1.70 118.68 126.23 2qr1 s LEU 300 Ca 0.40 2.72 0.00 0.00 -0.22 0.00 0.00 54.13 57.03 2qr1 s LEU 300 Cb -0.21 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.86 2qr1 s LEU 300 CO 0.25 -0.76 0.00 -0.62 -1.32 0.00 0.00 176.35 173.90 2qr1 n GLU 301 N 2.47 0.63 -2.63 1.98 1.02 0.32 -4.91 120.64 119.51 2qr1 n GLU 301 Ca 0.08 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.17 2qr1 n GLU 301 Cb 0.39 -0.83 0.02 0.00 -0.02 0.00 0.00 31.44 31.00 2qr1 n GLU 301 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qr1 n GLY 302 N 2.67 1.30 2.87 0.62 0.00 -0.90 -4.59 105.19 107.15 2qr1 n GLY 302 Ca 0.00 -1.13 -0.15 0.00 0.00 0.00 0.00 46.02 44.75 2qr1 n GLY 302 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qr1 s ILE 303 N -2.44 0.14 -0.46 -0.61 1.09 0.56 -1.66 121.20 117.82 2qr1 s ILE 303 Ca 0.10 -0.01 0.04 0.00 -1.10 0.00 0.00 60.65 59.68 2qr1 s ILE 303 Cb -0.03 -0.17 0.12 0.00 -1.06 0.00 0.00 42.46 41.32 2qr1 s ILE 303 CO 0.06 0.08 0.20 -0.22 -0.10 0.00 0.00 174.94 174.96 2qr1 s LEU 304 N 0.37 4.10 0.82 2.97 2.96 0.01 -1.14 118.68 128.77 2qr1 s LEU 304 Ca -0.03 -2.71 -0.11 0.00 -0.22 0.00 0.00 54.13 51.06 2qr1 s LEU 304 Cb -0.06 -1.52 0.08 0.00 0.50 0.00 0.00 46.19 45.20 2qr1 s LEU 304 CO -0.01 -0.28 1.09 -0.94 -1.32 0.00 0.00 176.35 174.89 2qr1 s SER 305 N 0.15 4.13 0.23 3.68 1.04 -1.26 -1.18 113.70 120.47 2qr1 s SER 305 Ca 0.15 1.65 -0.08 0.00 0.48 0.00 0.00 55.95 58.15 2qr1 s SER 305 Cb -0.24 -2.35 0.21 0.00 0.10 0.00 0.00 66.02 63.73 2qr1 s SER 305 CO -0.03 -2.25 1.89 -0.07 0.98 0.00 0.00 173.24 173.77 2qr1 h LEU 306 N -1.28 0.96 -1.37 2.42 3.38 -1.96 -2.18 115.31 115.28 2qr1 h LEU 306 Ca -0.46 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 2qr1 h LEU 306 Cb 1.25 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 2qr1 h LEU 306 CO 0.53 0.69 0.07 0.00 0.09 0.00 0.00 178.44 179.82 2qr1 h ALA 307 N 1.32 1.50 0.46 1.53 0.00 -1.92 0.14 119.26 122.29 2qr1 h ALA 307 Ca 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2qr1 h ALA 307 Cb -0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2qr1 h ALA 307 CO -0.08 0.37 -0.39 -0.44 0.00 0.00 0.00 179.25 178.71 2qr1 h ASP 308 N 0.48 -1.05 0.67 0.00 3.32 -1.76 0.31 116.42 118.38 2qr1 h ASP 308 Ca 0.11 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 2qr1 h ASP 308 Cb 0.21 0.34 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 2qr1 h ASP 308 CO -0.00 -0.56 -0.50 0.40 -1.72 0.00 0.00 179.24 176.85 2qr1 h ILE 309 N -0.85 0.01 -0.99 0.35 2.04 -1.17 0.13 117.51 117.03 2qr1 h ILE 309 Ca -0.05 0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.99 2qr1 h ILE 309 Cb 0.74 0.01 -0.10 0.00 -0.74 0.00 0.00 36.82 36.73 2qr1 h ILE 309 CO -0.02 0.00 0.62 0.25 0.00 0.00 0.00 178.15 178.99 2qr1 h LEU 310 N -1.13 0.77 -0.50 1.44 7.12 -0.65 0.36 115.31 122.72 2qr1 h LEU 310 Ca -0.09 0.08 -0.13 0.00 0.13 0.00 0.00 57.88 57.87 2qr1 h LEU 310 Cb 0.93 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.99 2qr1 h LEU 310 CO 0.03 0.31 -0.21 0.78 -0.13 0.00 0.00 178.44 179.22 2qr1 h ASN 311 N 0.77 1.02 -0.44 1.25 2.35 -0.14 -2.87 115.58 117.52 2qr1 h ASN 311 Ca 0.55 -0.39 0.02 0.00 -0.55 0.00 0.00 56.30 55.93 2qr1 h ASN 311 Cb 0.84 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.90 2qr1 h ASN 311 CO -0.33 1.19 0.25 0.22 -1.65 0.00 0.00 177.43 177.11 2qr1 h TYR 312 N 0.86 0.47 -0.03 1.19 5.03 0.11 -1.97 116.97 122.65 2qr1 h TYR 312 Ca 0.11 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.44 2qr1 h TYR 312 Cb 0.79 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.92 2qr1 h TYR 312 CO 0.05 0.27 0.00 0.44 -1.32 0.00 0.00 178.16 177.60 2qr1 n ILE 313 N -4.85 0.02 0.25 1.81 -5.35 -0.81 -3.29 119.36 107.13 2qr1 n ILE 313 Ca 0.02 -0.21 0.03 0.00 -0.27 0.00 0.00 62.75 62.32 2qr1 n ILE 313 Cb 0.07 0.29 0.02 0.00 -1.74 0.00 0.00 39.64 38.28 2qr1 n ILE 313 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 2qr1 n ILE 314 N -0.04 0.00 -4.37 7.28 -5.35 -0.96 -4.51 119.36 111.41 2qr1 n ILE 314 Ca 0.20 -0.49 -0.33 0.00 -0.27 0.00 0.00 62.75 61.85 2qr1 n ILE 314 Cb 0.30 1.11 -0.09 0.00 -1.74 0.00 0.00 39.64 39.22 2qr1 n ILE 314 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2qr1 s TYR 315 N -0.61 3.08 0.27 4.28 1.51 -0.78 -5.06 117.35 120.03 2qr1 s TYR 315 Ca 0.06 0.10 -0.03 0.00 -1.01 0.00 0.00 57.07 56.20 2qr1 s TYR 315 Cb 0.05 -1.71 0.06 0.00 -0.11 0.00 0.00 41.96 40.25 2qr1 s TYR 315 CO 0.09 0.44 0.37 -0.25 -1.11 0.00 0.00 175.55 175.09 2qr1 n ASP 316 N 1.76 0.18 -0.46 2.29 10.43 -1.26 -4.93 116.55 124.54 2qr1 n ASP 316 Ca -0.16 -1.22 0.13 0.00 2.57 0.00 0.00 54.79 56.11 2qr1 n ASP 316 Cb 0.53 -0.27 0.41 0.00 1.84 0.00 0.00 41.12 43.64 2qr1 n ASP 316 CO 0.00 0.00 0.00 2.29 -1.07 0.00 0.00 177.20 178.42 2qr1 n LYS 317 N -1.74 1.48 -2.45 -1.24 -0.00 -1.26 -4.03 118.16 108.91 2qr1 n LYS 317 Ca 0.05 -0.93 -0.40 0.00 -0.00 0.00 0.00 58.31 57.02 2qr1 n LYS 317 Cb 0.18 -1.48 0.02 0.00 -0.00 0.00 0.00 35.03 33.74 2qr1 n LYS 317 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2qr1 n THR 318 N 0.05 5.67 -1.05 0.58 -2.24 -1.26 -5.36 114.28 110.67 2qr1 n THR 318 Ca 0.16 -5.52 0.00 0.00 -2.27 0.00 0.00 64.05 56.42 2qr1 n THR 318 Cb 0.38 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 2qr1 n THR 318 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2qr1 n THR 319 N 0.15 0.00 -0.41 4.28 5.66 -1.26 -5.20 114.28 117.50 2qr1 n THR 319 Ca 0.50 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 61.35 2qr1 n THR 319 Cb 0.26 -0.06 -0.04 0.00 -1.55 0.00 0.00 70.33 68.94 2qr1 n THR 319 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2qr1 n ASP 328 N 0.00 0.16 0.00 1.09 4.64 -1.26 -5.06 116.55 116.12 2qr1 n ASP 328 Ca 0.00 0.14 0.00 0.00 -1.38 0.00 0.00 54.79 53.55 2qr1 n ASP 328 Cb 0.00 -0.27 0.00 0.00 -1.04 0.00 0.00 41.12 39.81 2qr1 n ASP 328 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 2qr1 n ASN 329 N 2.64 0.00 -4.53 1.67 2.85 -1.24 -5.05 115.26 111.60 2qr1 n ASN 329 Ca 0.18 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.40 2qr1 n ASN 329 Cb -0.00 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 40.91 2qr1 n ASN 329 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2qr1 s PHE 330 N -0.98 2.24 -0.15 1.20 2.99 -1.05 -3.57 117.98 118.67 2qr1 s PHE 330 Ca 0.00 -0.78 -0.11 0.00 0.00 0.00 0.00 56.93 56.04 2qr1 s PHE 330 Cb 0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 43.02 41.47 2qr1 s PHE 330 CO 0.00 0.27 0.22 -2.00 -0.00 0.00 0.00 175.22 173.71 2qr1 s GLU 331 N -3.78 4.01 0.61 0.44 2.12 -1.19 -4.28 118.70 116.64 2qr1 s GLU 331 Ca 0.35 -0.01 -0.12 0.00 0.36 0.00 0.00 54.97 55.55 2qr1 s GLU 331 Cb 0.09 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 2qr1 s GLU 331 CO 0.16 0.43 1.03 -1.12 -0.54 0.00 0.00 175.26 175.22 2qr1 s SER 332 N -0.07 6.16 -0.08 -1.70 0.01 -1.26 -4.77 113.70 111.99 2qr1 s SER 332 Ca 0.14 1.48 -0.33 0.00 1.31 0.00 0.00 55.95 58.56 2qr1 s SER 332 Cb -0.13 -2.48 -0.16 0.00 0.21 0.00 0.00 66.02 63.47 2qr1 s SER 332 CO 0.03 -0.91 0.93 0.00 0.41 0.00 0.00 173.24 173.70 2qr1 n ALA 333 N -2.61 -2.59 0.21 1.44 0.00 -1.26 -4.69 120.51 111.02 2qr1 n ALA 333 Ca 0.06 0.46 0.03 0.00 0.00 0.00 0.00 53.44 53.98 2qr1 n ALA 333 Cb 0.54 -1.41 0.02 0.00 0.00 0.00 0.00 19.45 18.60 2qr1 n ALA 333 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78