#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa4 s ARG 2 N 0.00 1.37 0.38 1.61 0.52 -1.19 -4.98 118.95 116.66 2qa4 s ARG 2 Ca 0.00 0.96 -0.26 0.00 -0.52 0.00 0.00 55.73 55.91 2qa4 s ARG 2 Cb 0.00 -1.81 -0.09 0.00 0.52 0.00 0.00 34.95 33.57 2qa4 s ARG 2 CO 0.00 -2.20 1.16 1.03 0.02 0.00 0.00 175.30 175.31 2qa4 s ARG 3 N -4.88 4.14 0.78 3.54 1.81 -1.26 -4.81 118.95 118.27 2qa4 s ARG 3 Ca 0.63 1.84 -0.11 0.00 -1.72 0.00 0.00 55.73 56.37 2qa4 s ARG 3 Cb -0.18 -2.74 0.06 0.00 -0.45 0.00 0.00 34.95 31.63 2qa4 s ARG 3 CO 0.57 -0.24 1.09 0.96 -0.68 0.00 0.00 175.30 177.00 2qa4 s ILE 4 N -1.39 3.23 0.36 1.52 -4.36 -1.26 -4.92 121.20 114.38 2qa4 s ILE 4 Ca 0.55 0.40 0.07 0.00 -0.26 0.00 0.00 60.65 61.41 2qa4 s ILE 4 Cb -0.31 -3.16 0.30 0.00 1.25 0.00 0.00 42.46 40.54 2qa4 s ILE 4 CO 0.39 -0.52 1.95 -0.61 0.24 0.00 0.00 174.94 176.38 2qa4 h GLN 5 N -1.00 0.72 -0.06 0.37 4.15 -1.96 -1.64 115.11 115.68 2qa4 h GLN 5 Ca -0.46 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 58.93 2qa4 h GLN 5 Cb 1.26 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.79 2qa4 h GLN 5 CO 0.59 0.47 0.07 0.78 -1.93 0.00 0.00 178.83 178.81 2qa4 h GLY 6 N 0.74 0.00 1.81 2.39 0.00 -1.99 -1.43 103.07 104.59 2qa4 h GLY 6 Ca 0.33 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.44 2qa4 h GLY 6 CO -0.12 0.00 -1.10 1.46 0.00 0.00 0.00 176.54 176.79 2qa4 h GLN 7 N 0.00 0.00 -0.73 4.80 4.20 -1.66 -3.30 115.11 118.42 2qa4 h GLN 7 Ca 0.03 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 2qa4 h GLN 7 Cb 0.16 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 2qa4 h GLN 7 CO -0.00 0.87 0.29 0.00 -0.67 0.00 0.00 178.83 179.32 2qa4 h ARG 8 N 0.00 1.09 -0.78 1.46 -0.00 -1.22 -2.92 114.38 112.00 2qa4 h ARG 8 Ca -0.06 -0.20 0.15 0.00 -0.50 0.00 0.00 59.98 59.38 2qa4 h ARG 8 Cb 1.78 -0.18 -0.10 0.00 0.00 0.00 0.00 29.97 31.48 2qa4 h ARG 8 CO 0.12 0.90 0.32 0.00 0.00 0.00 0.00 179.97 181.30 2qa4 h ARG 9 N 1.04 0.43 -0.42 0.04 3.08 -1.62 -1.68 114.38 115.26 2qa4 h ARG 9 Ca 0.24 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.39 2qa4 h ARG 9 Cb 0.22 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 2qa4 h ARG 9 CO -0.02 0.29 0.35 0.78 -1.07 0.00 0.00 179.97 180.30 2qa4 h GLY 10 N 0.45 0.00 1.40 0.04 0.00 -1.63 -1.18 103.07 102.14 2qa4 h GLY 10 Ca 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.68 2qa4 h GLY 10 CO -0.42 0.00 -0.09 3.21 0.00 0.00 0.00 176.54 179.24 2qa4 h ARG 11 N 0.00 0.72 -1.72 4.80 3.08 -1.43 -3.47 114.38 116.36 2qa4 h ARG 11 Ca 0.20 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2qa4 h ARG 11 Cb 0.89 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.88 2qa4 h ARG 11 CO -0.00 0.80 0.00 0.41 -1.07 0.00 0.00 179.97 180.10 2qa4 n GLY 12 N -0.52 0.57 2.81 0.04 0.00 -0.45 -5.07 105.19 102.56 2qa4 n GLY 12 Ca 0.01 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 2qa4 n GLY 12 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qa4 n THR 13 N -1.34 0.00 -0.13 2.61 -2.24 -1.26 -4.75 114.28 107.17 2qa4 n THR 13 Ca 0.00 -0.65 -0.10 0.00 -2.27 0.00 0.00 64.05 61.03 2qa4 n THR 13 Cb 0.49 -1.54 -0.02 0.00 -2.10 0.00 0.00 70.33 67.17 2qa4 n THR 13 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2qa4 h SER 14 N -1.51 0.58 -0.88 3.42 0.87 -1.97 -1.71 113.55 112.34 2qa4 h SER 14 Ca -0.32 -0.26 0.24 0.00 -1.23 0.00 0.00 61.79 60.23 2qa4 h SER 14 Cb 0.89 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.65 2qa4 h SER 14 CO 0.22 0.69 0.62 0.74 -0.53 0.00 0.00 176.83 178.57 2qa4 h THR 15 N 0.45 0.59 0.00 2.23 2.02 -2.00 -2.61 112.91 113.59 2qa4 h THR 15 Ca 0.11 -0.04 -0.29 0.00 0.77 0.00 0.00 66.41 66.96 2qa4 h THR 15 Cb 0.35 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 67.17 2qa4 h THR 15 CO 0.01 0.02 -2.30 0.49 0.37 0.00 0.00 175.52 174.11 2qa4 n PHE 16 N -4.36 0.00 -1.19 3.16 3.01 -1.09 -4.53 117.46 112.46 2qa4 n PHE 16 Ca 0.18 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.31 2qa4 n PHE 16 Cb 0.87 -0.89 0.12 0.00 -0.01 0.00 0.00 39.48 39.57 2qa4 n PHE 16 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2qa4 s ARG 17 N -2.72 1.75 0.18 -1.08 0.52 -0.66 -3.95 118.95 112.98 2qa4 s ARG 17 Ca -0.10 1.78 -0.19 0.00 -0.52 0.00 0.00 55.73 56.70 2qa4 s ARG 17 Cb 0.08 -1.79 -0.08 0.00 0.52 0.00 0.00 34.95 33.69 2qa4 s ARG 17 CO 0.85 -2.14 0.67 0.00 0.02 0.00 0.00 175.30 174.70 2qa4 s ALA 18 N -2.08 3.48 -0.63 2.13 0.00 -1.26 -4.19 121.76 119.20 2qa4 s ALA 18 Ca 0.74 0.12 -0.04 0.00 0.00 0.00 0.00 51.96 52.77 2qa4 s ALA 18 Cb -0.29 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 2qa4 s ALA 18 CO 0.49 0.36 1.76 -0.35 0.00 0.00 0.00 175.76 178.02 2qa4 n PRO 19 N 1.02 1.43 -0.15 0.00 -0.04 -1.26 -4.73 135.00 131.27 2qa4 n PRO 19 Ca -0.05 -1.16 -0.03 0.00 -0.04 0.00 0.00 63.50 62.22 2qa4 n PRO 19 Cb 0.51 -2.31 0.03 0.00 -0.04 0.00 0.00 33.50 31.69 2qa4 n PRO 19 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2qa4 h SER 20 N 6.86 -0.41 -0.31 3.54 0.02 -1.96 -1.19 113.55 120.09 2qa4 h SER 20 Ca 0.34 0.14 0.09 0.00 -0.84 0.00 0.00 61.79 61.52 2qa4 h SER 20 Cb 0.11 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2qa4 h SER 20 CO 1.31 -0.15 0.43 1.12 -1.14 0.00 0.00 176.83 178.41 2qa4 h HIS 21 N 0.01 0.00 0.00 3.45 2.07 -2.04 0.27 115.15 118.92 2qa4 h HIS 21 Ca 0.23 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.62 2qa4 h HIS 21 Cb 0.35 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.31 2qa4 h HIS 21 CO -0.39 0.00 -0.97 -0.09 -3.07 0.00 0.00 177.93 173.41 2qa4 h ARG 22 N 0.00 0.00 -7.27 5.12 2.43 -1.61 -3.47 114.38 109.58 2qa4 h ARG 22 Ca 0.15 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.80 2qa4 h ARG 22 Cb 1.01 0.00 0.14 0.00 -0.42 0.00 0.00 29.97 30.70 2qa4 h ARG 22 CO -0.00 0.35 0.32 0.71 -1.51 0.00 0.00 179.97 179.84 2qa4 s TYR 23 N -2.98 2.38 -0.04 2.20 4.12 0.95 -5.02 117.35 118.97 2qa4 s TYR 23 Ca 0.00 1.60 -0.02 0.00 0.02 0.00 0.00 57.07 58.67 2qa4 s TYR 23 Cb 0.08 -3.16 -0.01 0.00 -1.52 0.00 0.00 41.96 37.35 2qa4 s TYR 23 CO 0.78 -2.01 -0.04 0.87 0.02 0.00 0.00 175.55 175.17 2qa4 h LYS 24 N -0.90 0.00 -2.49 -0.62 1.57 -1.92 -3.50 116.57 108.71 2qa4 h LYS 24 Ca -0.45 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.38 2qa4 h LYS 24 Cb 1.25 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.41 2qa4 h LYS 24 CO 0.50 0.00 0.36 0.00 -0.57 0.00 0.00 179.45 179.74 2qa4 s ALA 25 N -2.91 -1.74 -0.32 3.86 0.00 -1.26 -5.12 121.76 114.27 2qa4 s ALA 25 Ca -0.03 0.88 -0.26 0.00 0.00 0.00 0.00 51.96 52.54 2qa4 s ALA 25 Cb 0.00 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.62 2qa4 s ALA 25 CO 0.04 -0.67 0.94 0.34 0.00 0.00 0.00 175.76 176.41 2qa4 s ASP 26 N -2.39 6.78 -0.70 0.00 -1.08 -1.26 -4.98 116.67 113.03 2qa4 s ASP 26 Ca 0.02 0.80 -0.27 0.00 -0.52 0.00 0.00 52.55 52.58 2qa4 s ASP 26 Cb -0.01 -2.47 0.03 0.00 -1.46 0.00 0.00 42.92 39.01 2qa4 s ASP 26 CO -0.08 -0.77 1.25 -0.76 0.52 0.00 0.00 175.17 175.32 2qa4 s LEU 27 N 3.35 3.26 0.28 -1.34 1.43 -1.26 -4.99 118.68 119.41 2qa4 s LEU 27 Ca 0.39 -0.35 0.10 0.00 -1.03 0.00 0.00 54.13 53.23 2qa4 s LEU 27 Cb -0.13 -2.68 -0.05 0.00 0.03 0.00 0.00 46.19 43.36 2qa4 s LEU 27 CO 0.15 -1.75 -0.14 -1.61 0.23 0.00 0.00 176.35 173.22 2qa4 s GLU 28 N 5.53 1.63 0.99 1.70 2.02 -1.26 -4.90 118.70 124.40 2qa4 s GLU 28 Ca 0.36 -1.78 -0.14 0.00 0.02 0.00 0.00 54.97 53.43 2qa4 s GLU 28 Cb -0.08 -1.53 0.18 0.00 0.10 0.00 0.00 34.13 32.80 2qa4 s GLU 28 CO 0.17 0.21 1.15 -1.01 0.02 0.00 0.00 175.26 175.80 2qa4 s HIS 29 N -2.70 1.92 -0.08 1.61 3.76 -1.14 -4.93 115.29 113.73 2qa4 s HIS 29 Ca 0.29 0.72 -0.17 0.00 -0.15 0.00 0.00 55.06 55.75 2qa4 s HIS 29 Cb -0.01 -3.49 -0.05 0.00 1.11 0.00 0.00 32.58 30.14 2qa4 s HIS 29 CO 0.13 -2.79 0.44 1.03 -0.85 0.00 0.00 174.74 172.71 2qa4 s ARG 30 N -5.35 4.21 -0.36 1.40 0.52 -1.26 -4.93 118.95 113.18 2qa4 s ARG 30 Ca 0.67 0.41 -0.27 0.00 -0.52 0.00 0.00 55.73 56.01 2qa4 s ARG 30 Cb -0.13 -3.37 0.02 0.00 0.52 0.00 0.00 34.95 31.99 2qa4 s ARG 30 CO 0.54 0.34 1.01 0.15 0.02 0.00 0.00 175.30 177.36 2qa4 s LYS 31 N 0.05 3.93 -0.13 3.54 1.02 -1.26 -5.00 119.74 121.89 2qa4 s LYS 31 Ca 0.24 0.79 -0.01 0.00 0.02 0.00 0.00 55.97 57.00 2qa4 s LYS 31 Cb -0.15 -3.78 -0.02 0.00 -0.52 0.00 0.00 37.83 33.35 2qa4 s LYS 31 CO 0.11 -0.97 -0.08 0.08 -0.92 0.00 0.00 175.35 173.57 2qa4 s VAL 32 N 3.64 3.51 0.17 3.17 1.01 -1.26 -5.00 120.40 125.64 2qa4 s VAL 32 Ca 0.42 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 2qa4 s VAL 32 Cb -0.12 -2.49 0.07 0.00 0.00 0.00 0.00 36.38 33.84 2qa4 s VAL 32 CO 0.18 0.52 1.71 -0.33 0.00 0.00 0.00 175.10 177.19 2qa4 h GLU 33 N 6.44 0.16 0.00 2.72 3.07 -2.00 -3.48 114.58 121.49 2qa4 h GLU 33 Ca -0.32 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 2qa4 h GLU 33 Cb 1.20 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 2qa4 h GLU 33 CO 0.58 0.10 0.00 -0.25 -1.40 0.00 0.00 179.01 178.05 2qa4 n ASP 34 N -5.14 0.00 0.00 1.42 8.00 -1.26 -5.07 116.55 114.50 2qa4 n ASP 34 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 2qa4 n ASP 34 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 2qa4 n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qa4 n GLY 35 N -0.20 2.64 1.72 0.44 0.00 -1.26 -4.43 105.19 104.09 2qa4 n GLY 35 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2qa4 n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qa4 n ASP 36 N 1.75 0.00 -0.45 1.61 2.03 -1.26 -4.64 116.55 115.59 2qa4 n ASP 36 Ca 0.00 0.00 0.37 0.00 0.52 0.00 0.00 54.79 55.68 2qa4 n ASP 36 Cb 0.00 0.00 0.65 0.00 -0.72 0.00 0.00 41.12 41.05 2qa4 n ASP 36 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2qa4 h VAL 37 N 0.00 0.14 -1.66 5.18 -1.51 -1.80 -3.41 116.25 113.19 2qa4 h VAL 37 Ca 0.00 -0.03 -0.70 0.00 -1.23 0.00 0.00 66.70 64.74 2qa4 h VAL 37 Cb 0.00 0.04 0.03 0.00 -2.13 0.00 0.00 31.29 29.23 2qa4 h VAL 37 CO 0.00 0.02 0.77 -0.38 -1.23 0.00 0.00 177.57 176.75 2qa4 n ILE 38 N -4.66 0.22 -3.66 7.19 2.08 -1.26 -4.94 119.36 114.33 2qa4 n ILE 38 Ca 0.37 -0.04 -0.15 0.00 0.56 0.00 0.00 62.75 63.49 2qa4 n ILE 38 Cb 1.42 -1.16 -0.08 0.00 -0.75 0.00 0.00 39.64 39.08 2qa4 n ILE 38 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2qa4 s ALA 39 N 2.49 -1.24 0.20 -1.39 0.00 -1.26 -1.96 121.76 118.60 2qa4 s ALA 39 Ca 0.93 0.92 0.01 0.00 0.00 0.00 0.00 51.96 53.82 2qa4 s ALA 39 Cb -0.98 -0.15 -0.00 0.00 0.00 0.00 0.00 23.12 21.99 2qa4 s ALA 39 CO 0.57 -0.30 0.24 0.41 0.00 0.00 0.00 175.76 176.69 2qa4 n GLY 40 N 1.46 2.86 3.28 0.00 0.00 -0.54 -2.99 105.19 109.26 2qa4 n GLY 40 Ca -0.19 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 2qa4 n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qa4 s THR 41 N -2.71 1.89 -0.57 2.61 2.01 -0.66 -2.17 115.64 116.04 2qa4 s THR 41 Ca 0.20 -1.13 -0.28 0.00 0.31 0.00 0.00 61.69 60.78 2qa4 s THR 41 Cb 0.00 -1.59 0.02 0.00 0.01 0.00 0.00 72.50 70.94 2qa4 s THR 41 CO 0.14 0.43 1.29 -0.69 -0.69 0.00 0.00 174.62 175.10 2qa4 s VAL 42 N -0.66 3.92 -0.13 3.82 1.01 -0.73 -2.06 120.40 125.57 2qa4 s VAL 42 Ca 0.09 0.81 -0.26 0.00 0.00 0.00 0.00 61.98 62.62 2qa4 s VAL 42 Cb -0.09 -4.60 -0.23 0.00 0.00 0.00 0.00 36.38 31.45 2qa4 s VAL 42 CO 0.00 -1.27 0.72 0.58 0.00 0.00 0.00 175.10 175.14 2qa4 h VAL 43 N 6.25 1.61 -4.27 2.92 2.07 -1.32 0.19 116.25 123.70 2qa4 h VAL 43 Ca -0.26 -2.16 -0.28 0.00 0.82 0.00 0.00 66.70 64.82 2qa4 h VAL 43 Cb 1.07 3.02 -0.10 0.00 -1.52 0.00 0.00 31.29 33.76 2qa4 h VAL 43 CO 1.18 0.54 -0.30 -0.62 0.02 0.00 0.00 177.57 178.39 2qa4 s ASP 44 N -6.13 0.82 -0.16 0.57 -1.08 -1.21 -4.68 116.67 104.80 2qa4 s ASP 44 Ca -0.17 -1.45 -0.01 0.00 -0.52 0.00 0.00 52.55 50.40 2qa4 s ASP 44 Cb -0.03 0.59 0.04 0.00 -1.46 0.00 0.00 42.92 42.07 2qa4 s ASP 44 CO 0.62 -1.17 -0.03 -0.63 0.52 0.00 0.00 175.17 174.48 2qa4 s ILE 45 N -3.40 0.95 0.46 4.11 -1.09 -1.26 -1.42 121.20 119.54 2qa4 s ILE 45 Ca 0.33 -0.54 0.05 0.00 -2.23 0.00 0.00 60.65 58.26 2qa4 s ILE 45 Cb 0.01 -1.17 -0.04 0.00 -1.58 0.00 0.00 42.46 39.68 2qa4 s ILE 45 CO 0.19 0.10 0.12 -1.61 -1.23 0.00 0.00 174.94 172.51 2qa4 s GLU 46 N 1.70 2.16 -0.23 2.79 2.02 0.15 -4.92 118.70 122.38 2qa4 s GLU 46 Ca 0.01 -2.08 -0.06 0.00 0.02 0.00 0.00 54.97 52.86 2qa4 s GLU 46 Cb -0.15 -1.80 -0.02 0.00 0.10 0.00 0.00 34.13 32.26 2qa4 s GLU 46 CO -0.07 -0.23 0.03 -1.58 0.02 0.00 0.00 175.26 173.42 2qa4 s HIS 47 N -2.72 3.06 -0.41 1.61 5.65 -1.26 0.66 115.29 121.87 2qa4 s HIS 47 Ca 0.29 -0.49 -0.23 0.00 0.25 0.00 0.00 55.06 54.89 2qa4 s HIS 47 Cb 0.04 -2.16 0.02 0.00 -1.18 0.00 0.00 32.58 29.30 2qa4 s HIS 47 CO 0.16 -0.33 0.75 0.34 -0.65 0.00 0.00 174.74 175.02 2qa4 s ASP 48 N 1.33 6.45 0.60 9.88 2.15 -0.86 -4.93 116.67 131.29 2qa4 s ASP 48 Ca 0.04 0.06 0.31 0.00 0.43 0.00 0.00 52.55 53.39 2qa4 s ASP 48 Cb -0.15 -2.37 1.81 0.00 -0.30 0.00 0.00 42.92 41.91 2qa4 s ASP 48 CO 0.02 -0.80 2.20 -0.65 -0.17 0.00 0.00 175.17 175.77 2qa4 h PRO 49 N 8.73 0.00 0.00 4.34 0.11 -1.95 -0.88 132.00 142.35 2qa4 h PRO 49 Ca -0.25 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.72 2qa4 h PRO 49 Cb 1.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2qa4 h PRO 49 CO 0.92 0.00 -0.66 0.00 -0.21 0.00 0.00 178.00 178.05 2qa4 h ALA 50 N 1.90 0.60 0.00 -0.75 0.00 -1.92 -3.37 119.26 115.72 2qa4 h ALA 50 Ca 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2qa4 h ALA 50 Cb 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2qa4 h ALA 50 CO -0.00 0.82 0.00 0.54 0.00 0.00 0.00 179.25 180.61 2qa4 n ARG 51 N -3.30 0.58 -0.27 0.00 1.74 -0.89 -4.99 116.66 109.53 2qa4 n ARG 51 Ca 0.01 -0.36 0.00 0.00 -0.77 0.00 0.00 57.85 56.73 2qa4 n ARG 51 Cb 0.78 -0.85 0.00 0.00 -1.02 0.00 0.00 32.46 31.37 2qa4 n ARG 51 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2qa4 n SER 52 N -0.19 0.00 -4.99 0.55 7.64 -0.39 -4.73 113.62 111.52 2qa4 n SER 52 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 2qa4 n SER 52 Cb 0.02 -1.56 0.02 0.00 -1.01 0.00 0.00 64.21 61.68 2qa4 n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qa4 s ALA 53 N -1.49 4.16 1.13 -0.43 0.00 -1.26 -4.88 121.76 118.99 2qa4 s ALA 53 Ca 0.00 -1.46 -0.18 0.00 0.00 0.00 0.00 51.96 50.32 2qa4 s ALA 53 Cb 0.00 -1.89 0.26 0.00 0.00 0.00 0.00 23.12 21.49 2qa4 s ALA 53 CO 0.00 -0.52 1.16 -0.35 0.00 0.00 0.00 175.76 176.05 2qa4 n PRO 54 N -2.11 -2.24 -3.60 0.00 -0.04 -1.26 -2.03 135.00 123.72 2qa4 n PRO 54 Ca 0.07 -1.82 -0.15 0.00 -0.04 0.00 0.00 63.50 61.57 2qa4 n PRO 54 Cb 0.59 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.52 2qa4 n PRO 54 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2qa4 s VAL 55 N -3.32 0.00 -0.16 0.52 0.11 0.21 -4.34 120.40 113.42 2qa4 s VAL 55 Ca 0.70 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.71 2qa4 s VAL 55 Cb -0.05 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.77 2qa4 s VAL 55 CO 0.52 0.00 -0.01 0.00 -3.33 0.00 0.00 175.10 172.28 2qa4 s ALA 56 N -0.07 3.11 -0.06 1.54 0.00 -0.19 0.32 121.76 126.43 2qa4 s ALA 56 Ca -0.03 -0.80 -0.22 0.00 0.00 0.00 0.00 51.96 50.91 2qa4 s ALA 56 Cb -0.04 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 2qa4 s ALA 56 CO 0.03 0.21 0.66 0.00 0.00 0.00 0.00 175.76 176.66 2qa4 s ALA 57 N 0.34 3.38 0.02 0.00 0.00 -0.51 -0.10 121.76 124.90 2qa4 s ALA 57 Ca -0.02 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.05 2qa4 s ALA 57 Cb -0.14 -2.88 -0.02 0.00 0.00 0.00 0.00 23.12 20.09 2qa4 s ALA 57 CO 0.02 -0.03 -0.10 0.08 0.00 0.00 0.00 175.76 175.73 2qa4 s VAL 58 N 0.55 0.76 -0.18 0.00 1.01 -1.22 -0.83 120.40 120.48 2qa4 s VAL 58 Ca 0.35 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.61 2qa4 s VAL 58 Cb -0.18 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.54 2qa4 s VAL 58 CO 0.17 -0.01 -0.12 -1.61 0.00 0.00 0.00 175.10 173.53 2qa4 s GLU 59 N -0.82 2.19 0.61 2.72 2.02 -0.87 -2.15 118.70 122.40 2qa4 s GLU 59 Ca -0.01 -0.74 -0.08 0.00 0.02 0.00 0.00 54.97 54.16 2qa4 s GLU 59 Cb -0.06 -2.32 0.14 0.00 0.10 0.00 0.00 34.13 31.99 2qa4 s GLU 59 CO 0.00 -0.35 0.83 1.19 0.02 0.00 0.00 175.26 176.96 2qa4 n PHE 60 N 4.71 -3.73 0.24 1.61 3.01 0.38 -1.65 117.46 122.03 2qa4 n PHE 60 Ca -0.16 -0.91 -0.10 0.00 1.01 0.00 0.00 57.45 57.29 2qa4 n PHE 60 Cb 0.48 -0.63 -0.05 0.00 -0.01 0.00 0.00 39.48 39.27 2qa4 n PHE 60 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2qa4 h GLU 61 N 0.00 -0.65 -0.02 -1.08 5.08 -1.84 -3.30 114.58 112.77 2qa4 h GLU 61 Ca -0.27 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2qa4 h GLU 61 Cb 0.81 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2qa4 h GLU 61 CO 0.21 -0.43 0.00 -0.40 -1.00 0.00 0.00 179.01 177.39 2qa4 n ASP 62 N -5.05 0.02 0.00 1.42 5.75 -1.26 -4.71 116.55 112.72 2qa4 n ASP 62 Ca -0.08 -0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 2qa4 n ASP 62 Cb 0.27 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 2qa4 n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qa4 n GLY 63 N 0.05 3.35 3.67 6.12 0.00 -1.24 -5.05 105.19 112.09 2qa4 n GLY 63 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 2qa4 n GLY 63 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qa4 n ASP 64 N 0.01 2.99 -3.86 1.61 8.00 -1.26 -4.78 116.55 119.27 2qa4 n ASP 64 Ca 0.00 1.11 -0.28 0.00 0.71 0.00 0.00 54.79 56.33 2qa4 n ASP 64 Cb 0.00 -1.43 -0.16 0.00 -0.02 0.00 0.00 41.12 39.51 2qa4 n ASP 64 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2qa4 s ARG 65 N 0.40 1.25 -0.15 -1.24 6.06 -1.26 -0.47 118.95 123.55 2qa4 s ARG 65 Ca 0.75 -0.52 -0.09 0.00 -2.50 0.00 0.00 55.73 53.36 2qa4 s ARG 65 Cb -0.66 -2.04 0.05 0.00 0.06 0.00 0.00 34.95 32.36 2qa4 s ARG 65 CO 0.42 -0.49 0.37 1.03 -2.50 0.00 0.00 175.30 174.14 2qa4 s ARG 66 N 1.67 0.36 0.15 5.12 0.52 -0.91 -5.03 118.95 120.83 2qa4 s ARG 66 Ca -0.00 0.68 -0.31 0.00 -0.52 0.00 0.00 55.73 55.58 2qa4 s ARG 66 Cb -0.16 0.01 -0.08 0.00 0.52 0.00 0.00 34.95 35.24 2qa4 s ARG 66 CO -0.07 -0.14 1.31 -0.51 0.02 0.00 0.00 175.30 175.91 2qa4 s LEU 67 N 1.12 4.40 0.24 2.53 1.43 -1.26 -3.41 118.68 123.72 2qa4 s LEU 67 Ca -0.07 2.31 0.11 0.00 -1.03 0.00 0.00 54.13 55.44 2qa4 s LEU 67 Cb -0.08 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.50 2qa4 s LEU 67 CO -0.09 -0.55 -0.19 -0.51 0.23 0.00 0.00 176.35 175.24 2qa4 s ILE 68 N 0.58 2.23 -0.13 -0.59 2.07 0.86 -4.75 121.20 121.47 2qa4 s ILE 68 Ca 0.59 -2.26 -0.29 0.00 -1.41 0.00 0.00 60.65 57.28 2qa4 s ILE 68 Cb -0.35 -2.17 -0.06 0.00 0.13 0.00 0.00 42.46 40.01 2qa4 s ILE 68 CO 0.34 -0.40 2.01 -0.22 -1.91 0.00 0.00 174.94 174.76 2qa4 s LEU 69 N -3.26 3.89 -0.50 8.50 2.96 -1.26 -1.02 118.68 127.98 2qa4 s LEU 69 Ca 0.26 2.12 -0.24 0.00 -0.22 0.00 0.00 54.13 56.05 2qa4 s LEU 69 Cb -0.05 -3.52 0.04 0.00 0.50 0.00 0.00 46.19 43.16 2qa4 s LEU 69 CO 0.12 -1.50 0.88 0.00 -1.32 0.00 0.00 176.35 174.53 2qa4 s ALA 70 N 6.31 3.22 1.10 5.97 0.00 -1.26 -4.80 121.76 132.30 2qa4 s ALA 70 Ca 0.90 -1.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.66 2qa4 s ALA 70 Cb -0.35 -3.62 0.13 0.00 0.00 0.00 0.00 23.12 19.27 2qa4 s ALA 70 CO 0.36 -2.18 0.47 -2.30 0.00 0.00 0.00 175.76 172.12 2qa4 n PRO 71 N 7.13 -1.84 -3.28 0.00 -0.02 -1.26 -3.02 135.00 132.71 2qa4 n PRO 71 Ca 0.02 -0.75 -0.38 0.00 -2.02 0.00 0.00 63.50 60.37 2qa4 n PRO 71 Cb 0.48 -0.69 -0.06 0.00 -0.02 0.00 0.00 33.50 33.21 2qa4 n PRO 71 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2qa4 s GLU 72 N -4.07 4.33 0.00 -0.52 2.12 0.45 -4.15 118.70 116.86 2qa4 s GLU 72 Ca 0.30 0.48 0.00 0.00 0.36 0.00 0.00 54.97 56.12 2qa4 s GLU 72 Cb -0.03 -3.45 0.00 0.00 0.26 0.00 0.00 34.13 30.91 2qa4 s GLU 72 CO 0.23 0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.47 2qa4 n GLY 73 N 3.34 0.87 3.78 -1.50 0.00 -1.26 -4.82 105.19 105.60 2qa4 n GLY 73 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 2qa4 n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qa4 s VAL 74 N -2.00 5.08 0.38 1.61 1.01 -1.26 -5.08 120.40 120.15 2qa4 s VAL 74 Ca 0.00 0.89 0.04 0.00 0.00 0.00 0.00 61.98 62.91 2qa4 s VAL 74 Cb 0.00 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2qa4 s VAL 74 CO 0.00 0.47 0.09 -0.83 0.00 0.00 0.00 175.10 174.82 2qa4 s GLY 75 N -0.31 2.42 -0.03 4.51 0.00 -1.26 -5.06 107.32 107.59 2qa4 s GLY 75 Ca 0.24 -1.52 -0.30 0.00 0.00 0.00 0.00 44.72 43.15 2qa4 s GLY 75 CO 0.12 -1.86 1.41 0.14 0.00 0.00 0.00 173.10 172.91 2qa4 s VAL 76 N -3.21 3.78 0.00 1.40 1.01 -1.26 -2.79 120.40 119.33 2qa4 s VAL 76 Ca 0.28 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.37 2qa4 s VAL 76 Cb 0.05 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.72 2qa4 s VAL 76 CO 0.14 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.82 2qa4 n GLY 77 N 3.70 2.43 3.41 4.51 0.00 0.67 -5.01 105.19 114.91 2qa4 n GLY 77 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2qa4 n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qa4 s ASP 78 N -1.01 0.12 -0.04 1.61 1.11 -1.12 -4.60 116.67 112.74 2qa4 s ASP 78 Ca 0.00 1.31 0.04 0.00 0.18 0.00 0.00 52.55 54.08 2qa4 s ASP 78 Cb 0.00 -2.00 -0.00 0.00 1.07 0.00 0.00 42.92 41.99 2qa4 s ASP 78 CO 0.00 -4.70 -0.16 -0.70 1.18 0.00 0.00 175.17 170.79 2qa4 s GLU 79 N -4.60 1.64 0.18 8.23 2.12 -1.26 -1.77 118.70 123.24 2qa4 s GLU 79 Ca 0.69 -0.55 0.10 0.00 0.36 0.00 0.00 54.97 55.57 2qa4 s GLU 79 Cb -0.22 -1.43 -0.04 0.00 0.26 0.00 0.00 34.13 32.69 2qa4 s GLU 79 CO 0.63 0.21 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.85 2qa4 s LEU 80 N 0.09 2.44 0.01 2.70 1.43 -0.92 -4.97 118.68 119.45 2qa4 s LEU 80 Ca -0.04 -0.86 0.03 0.00 -1.03 0.00 0.00 54.13 52.22 2qa4 s LEU 80 Cb -0.11 -0.99 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 2qa4 s LEU 80 CO 0.02 0.04 -0.09 -1.10 0.23 0.00 0.00 176.35 175.45 2qa4 s GLN 81 N -2.73 0.68 -0.14 1.70 -0.21 -1.26 -1.47 119.66 116.22 2qa4 s GLN 81 Ca 0.18 -0.41 0.01 0.00 0.02 0.00 0.00 55.36 55.16 2qa4 s GLN 81 Cb -0.07 -0.63 0.02 0.00 1.00 0.00 0.00 33.01 33.33 2qa4 s GLN 81 CO 0.08 0.17 -0.14 0.08 -2.12 0.00 0.00 175.29 173.36 2qa4 s VAL 82 N -0.42 1.55 -5.00 1.09 1.01 -0.83 -2.37 120.40 115.44 2qa4 s VAL 82 Ca 0.01 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.36 2qa4 s VAL 82 Cb -0.05 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.89 2qa4 s VAL 82 CO -0.00 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.16 2qa4 n GLY 83 N 4.64 -1.05 0.19 4.51 0.00 -0.87 -4.21 105.19 108.40 2qa4 n GLY 83 Ca -0.17 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.19 2qa4 n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qa4 h VAL 84 N 0.00 1.29 -0.54 1.61 2.07 -1.88 -3.21 116.25 115.60 2qa4 h VAL 84 Ca 0.00 -1.23 -0.17 0.00 0.82 0.00 0.00 66.70 66.12 2qa4 h VAL 84 Cb 0.00 1.48 -0.10 0.00 -1.52 0.00 0.00 31.29 31.14 2qa4 h VAL 84 CO 0.00 0.39 0.22 -1.54 0.02 0.00 0.00 177.57 176.66 2qa4 n SER 85 N -4.42 3.89 -4.78 0.57 3.41 -1.26 -4.88 113.62 106.15 2qa4 n SER 85 Ca -0.03 -2.86 -0.36 0.00 -0.26 0.00 0.00 58.87 55.36 2qa4 n SER 85 Cb 0.37 -0.68 -0.01 0.00 -0.26 0.00 0.00 64.21 63.63 2qa4 n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qa4 s ALA 86 N -2.23 2.84 0.46 7.33 0.00 -1.21 -5.00 121.76 123.95 2qa4 s ALA 86 Ca 0.38 0.83 -0.23 0.00 0.00 0.00 0.00 51.96 52.94 2qa4 s ALA 86 Cb 0.31 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 20.00 2qa4 s ALA 86 CO 0.09 -0.64 1.19 -2.00 0.00 0.00 0.00 175.76 174.40 2qa4 s GLU 87 N -3.01 3.75 -1.62 0.00 2.12 -1.26 -4.92 118.70 113.76 2qa4 s GLU 87 Ca 0.68 1.83 -0.10 0.00 0.36 0.00 0.00 54.97 57.74 2qa4 s GLU 87 Cb -0.25 -2.44 -0.08 0.00 0.26 0.00 0.00 34.13 31.62 2qa4 s GLU 87 CO 0.29 -0.57 2.92 -0.89 -0.54 0.00 0.00 175.26 176.46 2qa4 n ILE 88 N -0.44 4.27 -4.20 -3.70 5.41 -1.26 -4.74 119.36 114.70 2qa4 n ILE 88 Ca 0.07 -2.61 -0.29 0.00 1.00 0.00 0.00 62.75 60.92 2qa4 n ILE 88 Cb 0.47 -2.62 -0.09 0.00 -0.71 0.00 0.00 39.64 36.70 2qa4 n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qa4 s ALA 89 N 2.24 3.10 0.13 -1.39 0.00 -1.26 -5.07 121.76 119.50 2qa4 s ALA 89 Ca 0.68 -1.25 -0.35 0.00 0.00 0.00 0.00 51.96 51.04 2qa4 s ALA 89 Cb 0.18 -0.99 -0.15 0.00 0.00 0.00 0.00 23.12 22.16 2qa4 s ALA 89 CO -0.06 0.62 1.50 -2.30 0.00 0.00 0.00 175.76 175.51 2qa4 n PRO 90 N 0.45 1.78 0.00 0.00 -0.02 -1.26 -2.02 135.00 133.93 2qa4 n PRO 90 Ca -0.12 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2qa4 n PRO 90 Cb 0.53 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2qa4 n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qa4 n GLY 91 N 3.11 2.96 3.68 -1.23 0.00 0.18 -4.96 105.19 108.93 2qa4 n GLY 91 Ca 0.18 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2qa4 n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qa4 s ASN 92 N 0.89 6.60 -0.22 1.61 -0.87 -0.86 -4.53 114.94 117.56 2qa4 s ASN 92 Ca 0.00 2.46 -0.19 0.00 -1.57 0.00 0.00 52.86 53.57 2qa4 s ASN 92 Cb 0.00 -2.55 -0.03 0.00 -0.02 0.00 0.00 41.25 38.65 2qa4 s ASN 92 CO 0.00 -0.91 0.55 -0.89 -2.57 0.00 0.00 177.10 173.27 2qa4 s THR 93 N 3.05 5.07 0.13 1.60 2.01 -1.00 -3.04 115.64 123.47 2qa4 s THR 93 Ca 0.75 0.99 -0.20 0.00 0.31 0.00 0.00 61.69 63.54 2qa4 s THR 93 Cb -0.39 -3.86 0.05 0.00 0.01 0.00 0.00 72.50 68.31 2qa4 s THR 93 CO 0.33 0.13 0.50 -1.48 -0.69 0.00 0.00 174.62 173.40 2qa4 s LEU 94 N 1.96 -0.06 0.70 4.42 2.34 -0.99 -2.05 118.68 125.00 2qa4 s LEU 94 Ca 0.24 -0.14 -0.16 0.00 0.06 0.00 0.00 54.13 54.13 2qa4 s LEU 94 Cb -0.16 2.19 -0.01 0.00 -0.56 0.00 0.00 46.19 47.66 2qa4 s LEU 94 CO 0.09 -0.89 0.91 -0.81 -1.06 0.00 0.00 176.35 174.59 2qa4 n PRO 95 N -0.24 0.54 -0.31 1.48 -0.04 -1.26 -1.49 135.00 133.67 2qa4 n PRO 95 Ca -0.17 0.24 0.07 0.00 -0.04 0.00 0.00 63.50 63.60 2qa4 n PRO 95 Cb 0.64 -2.16 0.27 0.00 -0.04 0.00 0.00 33.50 32.21 2qa4 n PRO 95 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2qa4 h LEU 96 N -0.16 0.85 -1.03 1.53 3.38 -0.75 -2.88 115.31 116.25 2qa4 h LEU 96 Ca -0.47 0.03 0.07 0.00 0.09 0.00 0.00 57.88 57.60 2qa4 h LEU 96 Cb 1.34 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.87 2qa4 h LEU 96 CO 0.47 0.49 0.64 0.00 0.09 0.00 0.00 178.44 180.13 2qa4 h ALA 97 N 1.54 1.44 0.00 1.53 0.00 -1.63 -2.02 119.26 120.12 2qa4 h ALA 97 Ca 0.44 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 2qa4 h ALA 97 Cb 0.42 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2qa4 h ALA 97 CO -0.20 0.40 -0.26 0.93 0.00 0.00 0.00 179.25 180.13 2qa4 h GLU 98 N 1.13 0.00 -6.40 0.00 4.39 -1.80 -3.45 114.58 108.45 2qa4 h GLU 98 Ca 0.44 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.59 2qa4 h GLU 98 Cb 0.21 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2qa4 h GLU 98 CO -0.18 0.26 0.59 0.42 -1.16 0.00 0.00 179.01 178.93 2qa4 s ILE 99 N -3.59 4.26 0.58 3.13 -1.09 -0.76 -5.02 121.20 118.70 2qa4 s ILE 99 Ca 0.01 1.61 -0.19 0.00 -2.23 0.00 0.00 60.65 59.85 2qa4 s ILE 99 Cb 0.10 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 2qa4 s ILE 99 CO 0.65 0.07 1.18 -2.16 -1.23 0.00 0.00 174.94 173.46 2qa4 s PRO 100 N 1.52 3.09 0.63 2.79 0.04 -1.26 -4.98 135.00 136.83 2qa4 s PRO 100 Ca 0.56 1.76 -0.18 0.00 0.04 0.00 0.00 61.00 63.18 2qa4 s PRO 100 Cb -0.26 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 2qa4 s PRO 100 CO 0.26 -1.09 1.25 -1.21 0.04 0.00 0.00 177.00 176.24 2qa4 s GLU 101 N -3.32 2.70 -0.07 4.56 2.02 -1.26 -3.60 118.70 119.74 2qa4 s GLU 101 Ca 0.76 1.93 0.00 0.00 0.02 0.00 0.00 54.97 57.68 2qa4 s GLU 101 Cb -0.28 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 32.07 2qa4 s GLU 101 CO 0.31 -1.45 0.00 0.41 0.02 0.00 0.00 175.26 174.56 2qa4 n GLY 102 N 0.68 0.47 3.66 -1.39 0.00 0.33 -5.04 105.19 103.89 2qa4 n GLY 102 Ca 0.15 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 2qa4 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qa4 s VAL 103 N -1.91 5.04 0.19 1.61 1.01 -1.24 -4.91 120.40 120.19 2qa4 s VAL 103 Ca 0.00 0.06 -0.32 0.00 0.00 0.00 0.00 61.98 61.72 2qa4 s VAL 103 Cb 0.00 -3.29 -0.11 0.00 0.00 0.00 0.00 36.38 32.98 2qa4 s VAL 103 CO 0.00 0.44 1.69 -2.84 0.00 0.00 0.00 175.10 174.39 2qa4 s PRO 104 N 0.48 4.15 0.06 2.72 0.02 -1.26 -3.72 135.00 137.45 2qa4 s PRO 104 Ca 0.05 2.53 0.02 0.00 0.02 0.00 0.00 61.00 63.63 2qa4 s PRO 104 Cb -0.12 -3.15 -0.03 0.00 0.02 0.00 0.00 34.50 31.22 2qa4 s PRO 104 CO 0.00 -0.72 -0.07 0.08 -0.33 0.00 0.00 177.00 175.96 2qa4 s VAL 105 N 1.32 0.61 0.30 3.83 1.01 -1.21 0.06 120.40 126.32 2qa4 s VAL 105 Ca 0.74 -1.40 0.02 0.00 0.00 0.00 0.00 61.98 61.34 2qa4 s VAL 105 Cb -0.48 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 2qa4 s VAL 105 CO 0.32 -0.56 0.12 0.00 0.00 0.00 0.00 175.10 174.98 2qa4 n ASN 107 N -0.76 -2.74 -4.74 0.00 5.15 0.29 -0.72 115.26 111.74 2qa4 n ASN 107 Ca -0.00 -1.07 -0.40 0.00 -0.60 0.00 0.00 54.58 52.50 2qa4 n ASN 107 Cb 0.66 -2.87 -0.05 0.00 -0.53 0.00 0.00 39.78 36.98 2qa4 n ASN 107 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2qa4 s VAL 108 N -3.73 4.15 0.19 3.44 1.01 0.59 -3.99 120.40 122.06 2qa4 s VAL 108 Ca 0.26 1.99 -0.30 0.00 0.00 0.00 0.00 61.98 63.93 2qa4 s VAL 108 Cb -0.11 -4.27 -0.08 0.00 0.00 0.00 0.00 36.38 31.93 2qa4 s VAL 108 CO 0.90 0.41 1.02 -1.61 0.00 0.00 0.00 175.10 175.81 2qa4 s GLU 109 N -0.74 4.70 0.33 2.72 2.02 -0.46 -0.28 118.70 127.00 2qa4 s GLU 109 Ca 0.44 1.59 0.23 0.00 0.02 0.00 0.00 54.97 57.25 2qa4 s GLU 109 Cb -0.26 -3.30 0.20 0.00 0.10 0.00 0.00 34.13 30.87 2qa4 s GLU 109 CO 0.32 0.25 1.36 1.03 0.02 0.00 0.00 175.26 178.24 2qa4 h SER 110 N 4.85 0.00 -3.87 -0.19 0.87 -1.91 -3.45 113.55 109.85 2qa4 h SER 110 Ca -0.44 -0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.02 2qa4 h SER 110 Cb 1.21 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 62.94 2qa4 h SER 110 CO 0.70 0.00 -0.11 -0.55 -0.53 0.00 0.00 176.83 176.34 2qa4 s SER 111 N -5.80 -0.55 0.34 6.23 0.15 -1.26 -4.89 113.70 107.92 2qa4 s SER 111 Ca 0.04 1.05 -0.29 0.00 0.70 0.00 0.00 55.95 57.45 2qa4 s SER 111 Cb 0.07 1.05 -0.11 0.00 -1.71 0.00 0.00 66.02 65.32 2qa4 s SER 111 CO 0.72 -0.18 1.50 -2.16 1.20 0.00 0.00 173.24 174.32 2qa4 s PRO 112 N 0.36 4.14 0.00 5.44 0.04 -1.26 -2.87 135.00 140.85 2qa4 s PRO 112 Ca -0.01 2.53 0.00 0.00 0.04 0.00 0.00 61.00 63.56 2qa4 s PRO 112 Cb -0.04 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.50 2qa4 s PRO 112 CO -0.00 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.92 2qa4 n GLY 113 N 1.11 2.97 0.32 0.56 0.00 -1.26 -4.91 105.19 103.98 2qa4 n GLY 113 Ca 0.03 -0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.15 2qa4 n GLY 113 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2qa4 h ASP 114 N 0.03 0.00 0.00 1.61 3.04 -1.96 -3.47 116.42 115.67 2qa4 h ASP 114 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2qa4 h ASP 114 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2qa4 h ASP 114 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 2qa4 n GLY 115 N -1.44 1.15 0.00 7.15 0.00 -1.26 -4.89 105.19 105.89 2qa4 n GLY 115 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2qa4 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qa4 n GLY 116 N -1.53 1.90 1.80 -0.02 0.00 -1.26 -2.87 105.19 103.21 2qa4 n GLY 116 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 2qa4 n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qa4 n LYS 117 N 1.79 0.00 -3.61 1.61 4.76 0.62 -4.79 118.16 118.54 2qa4 n LYS 117 Ca 0.00 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.13 2qa4 n LYS 117 Cb 0.00 -0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.14 2qa4 n LYS 117 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2qa4 s PHE 118 N -1.90 3.47 -0.40 2.13 0.40 -0.48 -4.72 117.98 116.47 2qa4 s PHE 118 Ca 0.00 0.59 -0.15 0.00 -0.60 0.00 0.00 56.93 56.77 2qa4 s PHE 118 Cb 0.00 -2.04 0.02 0.00 0.51 0.00 0.00 43.02 41.51 2qa4 s PHE 118 CO 0.00 0.38 0.49 0.00 0.70 0.00 0.00 175.22 176.80 2qa4 n ALA 119 N -0.09 -3.02 0.00 5.36 0.00 -1.26 -0.30 120.51 121.20 2qa4 n ALA 119 Ca -0.02 0.98 0.00 0.00 0.00 0.00 0.00 53.44 54.40 2qa4 n ALA 119 Cb 0.52 -3.14 0.00 0.00 0.00 0.00 0.00 19.45 16.83 2qa4 n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qa4 n ARG 120 N -0.09 2.37 -1.87 0.00 1.74 -1.26 0.11 116.66 117.65 2qa4 n ARG 120 Ca 0.08 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.87 2qa4 n ARG 120 Cb 0.40 -0.68 0.13 0.00 -1.02 0.00 0.00 32.46 31.30 2qa4 n ARG 120 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qa4 s ALA 121 N -1.10 2.38 -0.48 7.54 0.00 -1.26 -4.93 121.76 123.91 2qa4 s ALA 121 Ca 0.00 -0.87 -0.44 0.00 0.00 0.00 0.00 51.96 50.65 2qa4 s ALA 121 Cb 0.00 -2.89 -0.18 0.00 0.00 0.00 0.00 23.12 20.05 2qa4 s ALA 121 CO 0.00 -2.07 2.01 0.43 0.00 0.00 0.00 175.76 176.13 2qa4 n SER 122 N -3.56 1.03 -2.12 0.00 7.64 -1.26 -2.62 113.62 112.73 2qa4 n SER 122 Ca 0.11 0.79 -0.18 0.00 1.01 0.00 0.00 58.87 60.60 2qa4 n SER 122 Cb 0.60 -0.93 -0.03 0.00 -1.01 0.00 0.00 64.21 62.84 2qa4 n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qa4 n GLY 123 N 6.50 0.24 2.16 0.23 0.00 -0.42 -4.64 105.19 109.26 2qa4 n GLY 123 Ca 0.47 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.38 2qa4 n GLY 123 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2qa4 n VAL 124 N -3.28 0.00 -3.64 1.61 0.24 -1.08 -4.75 118.33 107.44 2qa4 n VAL 124 Ca -0.20 -1.00 -0.02 0.00 -2.04 0.00 0.00 64.34 61.07 2qa4 n VAL 124 Cb 0.64 -0.87 -0.03 0.00 -1.47 0.00 0.00 33.84 32.11 2qa4 n VAL 124 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2qa4 s ASN 125 N -3.09 -0.04 0.25 -1.34 2.20 -1.26 -1.70 114.94 109.96 2qa4 s ASN 125 Ca 0.35 0.03 0.03 0.00 -0.94 0.00 0.00 52.86 52.32 2qa4 s ASN 125 Cb -0.02 0.04 0.03 0.00 -2.00 0.00 0.00 41.25 39.30 2qa4 s ASN 125 CO 0.22 -0.05 0.28 0.00 -2.94 0.00 0.00 177.10 174.61 2qa4 n ALA 126 N 0.26 0.35 -3.51 3.54 0.00 0.18 -3.74 120.51 117.58 2qa4 n ALA 126 Ca 0.02 -0.68 -0.07 0.00 0.00 0.00 0.00 53.44 52.70 2qa4 n ALA 126 Cb 0.58 0.17 -0.08 0.00 0.00 0.00 0.00 19.45 20.12 2qa4 n ALA 126 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2qa4 s GLN 127 N -2.94 0.36 -0.47 0.00 2.00 -0.60 -3.29 119.66 114.71 2qa4 s GLN 127 Ca 0.20 0.89 -0.27 0.00 -2.00 0.00 0.00 55.36 54.18 2qa4 s GLN 127 Cb -0.02 0.11 0.03 0.00 0.80 0.00 0.00 33.01 33.93 2qa4 s GLN 127 CO 0.13 -0.41 1.03 -1.17 -0.50 0.00 0.00 175.29 174.37 2qa4 s LEU 128 N 2.63 3.82 -0.23 3.68 2.96 -1.24 0.13 118.68 130.41 2qa4 s LEU 128 Ca 0.05 0.29 -0.10 0.00 -0.22 0.00 0.00 54.13 54.15 2qa4 s LEU 128 Cb -0.13 -3.38 -0.17 0.00 0.50 0.00 0.00 46.19 43.01 2qa4 s LEU 128 CO -0.15 -1.16 -0.08 0.18 -1.32 0.00 0.00 176.35 173.83 2qa4 n LEU 129 N 7.52 2.31 -4.44 -0.68 4.77 -0.71 -0.51 117.00 125.26 2qa4 n LEU 129 Ca 0.09 0.21 -0.22 0.00 -0.03 0.00 0.00 56.01 56.06 2qa4 n LEU 129 Cb 0.49 -0.93 -0.10 0.00 -2.33 0.00 0.00 43.42 40.55 2qa4 n LEU 129 CO 0.68 0.65 -0.42 -0.89 -1.33 0.00 0.00 177.39 176.09 2qa4 s THR 130 N -2.49 1.99 0.06 -5.08 2.01 -1.15 -4.69 115.64 106.29 2qa4 s THR 130 Ca -0.33 -2.23 0.04 0.00 0.31 0.00 0.00 61.69 59.47 2qa4 s THR 130 Cb 0.10 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 2qa4 s THR 130 CO 0.59 -0.38 -0.11 -1.00 -0.69 0.00 0.00 174.62 173.03 2qa4 s HIS 131 N -2.80 0.94 0.16 4.92 3.76 -1.26 -3.63 115.29 117.37 2qa4 s HIS 131 Ca 0.28 -0.50 -0.24 0.00 -0.15 0.00 0.00 55.06 54.45 2qa4 s HIS 131 Cb 0.00 -0.54 0.07 0.00 1.11 0.00 0.00 32.58 33.23 2qa4 s HIS 131 CO 0.12 -0.02 1.01 0.34 -0.85 0.00 0.00 174.74 175.34 2qa4 s ASP 132 N -1.75 -0.10 0.19 1.40 -1.08 -1.05 -4.95 116.67 109.33 2qa4 s ASP 132 Ca -0.05 -0.50 0.16 0.00 -0.52 0.00 0.00 52.55 51.64 2qa4 s ASP 132 Cb -0.09 0.48 -0.01 0.00 -1.46 0.00 0.00 42.92 41.84 2qa4 s ASP 132 CO 0.01 -0.91 1.18 0.03 0.52 0.00 0.00 175.17 176.00 2qa4 h ARG 133 N 2.00 0.00 0.00 4.34 3.08 -2.02 -3.40 114.38 118.39 2qa4 h ARG 133 Ca -0.26 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.42 2qa4 h ARG 133 Cb 1.22 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.22 2qa4 h ARG 133 CO 0.30 0.38 -2.21 0.09 -1.07 0.00 0.00 179.97 177.45 2qa4 n ASN 134 N -3.06 1.62 -4.80 7.04 3.02 -1.26 -4.89 115.26 112.92 2qa4 n ASN 134 Ca -0.03 0.28 -0.23 0.00 -0.03 0.00 0.00 54.58 54.57 2qa4 n ASN 134 Cb 0.76 -0.67 -0.05 0.00 -0.61 0.00 0.00 39.78 39.20 2qa4 n ASN 134 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2qa4 s VAL 135 N -2.43 2.42 -0.29 2.41 0.11 -1.26 -4.30 120.40 117.06 2qa4 s VAL 135 Ca -0.32 -1.54 0.01 0.00 -2.93 0.00 0.00 61.98 57.21 2qa4 s VAL 135 Cb 0.12 -2.96 0.18 0.00 -1.53 0.00 0.00 36.38 32.19 2qa4 s VAL 135 CO 0.40 0.00 0.53 0.00 -3.33 0.00 0.00 175.10 172.70 2qa4 s ALA 136 N -2.55 -1.94 -0.31 1.54 0.00 -0.10 -2.53 121.76 115.87 2qa4 s ALA 136 Ca 0.44 1.23 -0.19 0.00 0.00 0.00 0.00 51.96 53.44 2qa4 s ALA 136 Cb 0.01 -2.17 -0.01 0.00 0.00 0.00 0.00 23.12 20.94 2qa4 s ALA 136 CO 0.25 -1.52 0.56 0.08 0.00 0.00 0.00 175.76 175.13 2qa4 s VAL 137 N 2.75 5.00 0.01 0.00 1.01 -1.24 0.37 120.40 128.30 2qa4 s VAL 137 Ca 0.15 0.70 0.03 0.00 0.00 0.00 0.00 61.98 62.86 2qa4 s VAL 137 Cb -0.13 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 2qa4 s VAL 137 CO -0.23 -0.10 -0.06 -0.69 0.00 0.00 0.00 175.10 174.03 2qa4 s VAL 138 N 2.46 3.71 -0.49 2.92 1.01 0.66 -1.73 120.40 128.95 2qa4 s VAL 138 Ca 0.22 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 2qa4 s VAL 138 Cb -0.15 -2.64 0.11 0.00 0.00 0.00 0.00 36.38 33.70 2qa4 s VAL 138 CO 0.12 0.36 0.39 -0.75 0.00 0.00 0.00 175.10 175.21 2qa4 s LYS 139 N -1.54 2.75 0.50 2.72 2.20 0.12 0.35 119.74 126.84 2qa4 s LYS 139 Ca 0.18 -1.63 -0.21 0.00 -0.36 0.00 0.00 55.97 53.96 2qa4 s LYS 139 Cb -0.11 -4.06 -0.07 0.00 -1.51 0.00 0.00 37.83 32.08 2qa4 s LYS 139 CO 0.09 -1.17 1.11 -0.51 -0.36 0.00 0.00 175.35 174.50 2qa4 s LEU 140 N 1.50 3.87 0.60 5.43 1.43 -0.79 -1.56 118.68 129.16 2qa4 s LEU 140 Ca 0.04 2.13 0.29 0.00 -1.03 0.00 0.00 54.13 55.56 2qa4 s LEU 140 Cb -0.27 -4.46 1.09 0.00 0.03 0.00 0.00 46.19 42.58 2qa4 s LEU 140 CO 0.02 -0.97 1.44 1.55 0.23 0.00 0.00 176.35 178.62 2qa4 h PRO 141 N 1.61 0.00 0.00 1.29 0.13 -1.90 1.46 132.00 134.59 2qa4 h PRO 141 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2qa4 h PRO 141 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2qa4 h PRO 141 CO 0.59 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.23 2qa4 n SER 142 N -3.39 0.00 0.00 1.44 3.41 -1.26 -4.89 113.62 108.93 2qa4 n SER 142 Ca 0.22 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2qa4 n SER 142 Cb 1.41 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 2qa4 n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qa4 n GLY 143 N 1.24 1.64 3.75 5.00 0.00 0.50 -5.05 105.19 112.27 2qa4 n GLY 143 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2qa4 n GLY 143 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qa4 s GLU 144 N -0.71 3.01 -0.70 1.61 2.12 -1.24 -4.72 118.70 118.07 2qa4 s GLU 144 Ca 0.00 1.92 -0.17 0.00 0.36 0.00 0.00 54.97 57.08 2qa4 s GLU 144 Cb 0.00 -2.01 0.15 0.00 0.26 0.00 0.00 34.13 32.52 2qa4 s GLU 144 CO 0.00 -1.20 0.75 -1.64 -0.54 0.00 0.00 175.26 172.63 2qa4 s MET 145 N -3.21 3.29 -0.21 4.30 -1.94 -1.26 -1.89 119.30 118.37 2qa4 s MET 145 Ca 0.76 -1.80 -0.24 0.00 -1.71 0.00 0.00 55.69 52.70 2qa4 s MET 145 Cb -0.33 -4.42 -0.01 0.00 2.01 0.00 0.00 34.83 32.08 2qa4 s MET 145 CO 0.36 -1.46 0.79 0.21 -0.01 0.00 0.00 175.02 174.91 2qa4 s LYS 146 N 1.73 4.22 -0.13 2.03 2.47 0.16 -4.88 119.74 125.33 2qa4 s LYS 146 Ca 0.15 0.90 -0.24 0.00 -1.56 0.00 0.00 55.97 55.22 2qa4 s LYS 146 Cb -0.18 -3.61 -0.02 0.00 -1.46 0.00 0.00 37.83 32.55 2qa4 s LYS 146 CO -0.01 -0.41 0.76 1.03 0.16 0.00 0.00 175.35 176.88 2qa4 s ARG 147 N 2.47 4.34 0.14 4.03 0.52 -1.26 -0.24 118.95 128.95 2qa4 s ARG 147 Ca 0.35 0.92 0.06 0.00 -0.52 0.00 0.00 55.73 56.54 2qa4 s ARG 147 Cb -0.16 -3.53 -0.04 0.00 0.52 0.00 0.00 34.95 31.74 2qa4 s ARG 147 CO 0.09 -0.17 -0.13 -0.51 0.02 0.00 0.00 175.30 174.61 2qa4 s LEU 148 N 1.61 2.46 -0.10 2.53 1.43 0.16 -4.95 118.68 121.82 2qa4 s LEU 148 Ca 0.37 -0.90 -0.30 0.00 -1.03 0.00 0.00 54.13 52.28 2qa4 s LEU 148 Cb -0.17 -0.49 -0.03 0.00 0.03 0.00 0.00 46.19 45.52 2qa4 s LEU 148 CO 0.15 -0.21 1.39 -0.62 0.23 0.00 0.00 176.35 177.29 2qa4 s ASP 149 N -2.77 6.86 0.08 2.29 -1.08 -1.26 -0.93 116.67 119.85 2qa4 s ASP 149 Ca 0.13 1.92 0.04 0.00 -0.52 0.00 0.00 52.55 54.12 2qa4 s ASP 149 Cb -0.02 -2.54 0.24 0.00 -1.46 0.00 0.00 42.92 39.14 2qa4 s ASP 149 CO 0.03 -0.79 1.08 -0.81 0.52 0.00 0.00 175.17 175.20 2qa4 n PRO 150 N 6.51 0.03 0.01 4.34 -0.04 -1.26 -1.37 135.00 143.22 2qa4 n PRO 150 Ca 0.15 0.48 0.14 0.00 -0.04 0.00 0.00 63.50 64.22 2qa4 n PRO 150 Cb 0.44 -1.67 0.56 0.00 -0.04 0.00 0.00 33.50 32.79 2qa4 n PRO 150 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2qa4 n GLN 151 N -1.62 0.03 -2.26 0.54 -0.06 -1.26 -1.71 117.38 111.04 2qa4 n GLN 151 Ca -0.00 0.02 -0.42 0.00 -2.00 0.00 0.00 57.00 54.59 2qa4 n GLN 151 Cb 0.08 -1.53 -0.03 0.00 -4.06 0.00 0.00 30.24 24.70 2qa4 n GLN 151 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2qa4 s ARG 153 N 2.18 3.17 -0.18 0.00 0.52 -1.26 -0.97 118.95 122.40 2qa4 s ARG 153 Ca 0.63 1.24 -0.27 0.00 -0.52 0.00 0.00 55.73 56.80 2qa4 s ARG 153 Cb -0.31 -2.01 0.07 0.00 0.52 0.00 0.00 34.95 33.22 2qa4 s ARG 153 CO 0.26 -0.94 0.72 0.00 0.02 0.00 0.00 175.30 175.37 2qa4 s ALA 154 N -2.45 -1.79 0.01 2.13 0.00 -0.56 -1.35 121.76 117.76 2qa4 s ALA 154 Ca 0.64 1.74 -0.20 0.00 0.00 0.00 0.00 51.96 54.14 2qa4 s ALA 154 Cb -0.17 -0.72 -0.06 0.00 0.00 0.00 0.00 23.12 22.17 2qa4 s ALA 154 CO 0.39 -0.35 0.59 0.99 0.00 0.00 0.00 175.76 177.39 2qa4 s THR 155 N -0.27 4.87 0.06 0.00 2.01 0.10 -2.36 115.64 120.05 2qa4 s THR 155 Ca -0.04 1.25 -0.30 0.00 0.31 0.00 0.00 61.69 62.91 2qa4 s THR 155 Cb -0.03 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 2qa4 s THR 155 CO 0.04 0.45 1.09 -0.63 -0.69 0.00 0.00 174.62 174.87 2qa4 s ILE 156 N -0.38 4.35 0.00 1.82 1.01 -1.17 0.92 121.20 127.75 2qa4 s ILE 156 Ca 0.31 1.75 0.00 0.00 0.00 0.00 0.00 60.65 62.71 2qa4 s ILE 156 Cb -0.19 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.17 2qa4 s ILE 156 CO 0.18 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.90 2qa4 n GLY 157 N 2.85 1.49 3.91 6.18 0.00 0.11 0.47 105.19 120.20 2qa4 n GLY 157 Ca 0.06 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.62 2qa4 n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qa4 s VAL 158 N -1.56 5.17 0.24 1.61 -7.23 -1.26 -2.27 120.40 115.09 2qa4 s VAL 158 Ca 0.00 -0.10 -0.30 0.00 -1.81 0.00 0.00 61.98 59.77 2qa4 s VAL 158 Cb 0.00 -3.67 -0.09 0.00 0.56 0.00 0.00 36.38 33.18 2qa4 s VAL 158 CO 0.00 -0.07 1.21 -0.69 -0.31 0.00 0.00 175.10 175.24 2qa4 s VAL 159 N -1.77 3.33 1.38 1.32 1.01 -0.69 -0.41 120.40 124.57 2qa4 s VAL 159 Ca 0.40 1.20 -0.23 0.00 0.00 0.00 0.00 61.98 63.36 2qa4 s VAL 159 Cb -0.12 -3.77 0.35 0.00 0.00 0.00 0.00 36.38 32.85 2qa4 s VAL 159 CO 0.27 0.23 0.99 0.00 0.00 0.00 0.00 175.10 176.59 2qa4 s ALA 160 N -0.52 -0.27 -0.30 5.51 0.00 -1.17 -1.79 121.76 123.23 2qa4 s ALA 160 Ca 0.51 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2qa4 s ALA 160 Cb -0.34 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2qa4 s ALA 160 CO 0.41 -4.35 0.00 0.41 0.00 0.00 0.00 175.76 172.23 2qa4 n GLY 161 N 0.56 0.55 3.71 0.00 0.00 -1.26 -1.31 105.19 107.44 2qa4 n GLY 161 Ca 0.14 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 2qa4 n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qa4 n GLY 162 N -1.66 0.82 0.20 -0.02 0.00 -1.26 -3.17 105.19 100.10 2qa4 n GLY 162 Ca -0.03 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.38 2qa4 n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qa4 n GLY 163 N 1.32 0.94 0.09 -0.02 0.00 -1.26 -4.91 105.19 101.34 2qa4 n GLY 163 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 2qa4 n GLY 163 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2qa4 h ARG 164 N 3.76 -0.11 -0.30 1.61 2.43 -1.90 -3.02 114.38 116.85 2qa4 h ARG 164 Ca 0.00 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.26 2qa4 h ARG 164 Cb 0.00 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2qa4 h ARG 164 CO 0.00 0.11 0.27 1.15 -1.51 0.00 0.00 179.97 179.99 2qa4 h THR 165 N -0.32 0.57 -0.96 0.20 2.02 -1.94 -3.12 112.91 109.36 2qa4 h THR 165 Ca -0.01 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.28 2qa4 h THR 165 Cb 0.27 0.79 -0.08 0.00 -1.74 0.00 0.00 68.15 67.40 2qa4 h THR 165 CO 0.02 0.00 0.61 0.44 0.37 0.00 0.00 175.52 176.96 2qa4 h ASP 166 N 0.00 0.86 -3.53 4.18 3.32 -1.95 -3.41 116.42 115.89 2qa4 h ASP 166 Ca 0.14 0.04 -0.62 0.00 0.02 0.00 0.00 57.03 56.62 2qa4 h ASP 166 Cb 0.69 -0.13 -0.14 0.00 0.22 0.00 0.00 39.33 39.96 2qa4 h ASP 166 CO -0.00 0.47 -0.48 -0.75 -1.72 0.00 0.00 179.24 176.75 2qa4 s LYS 167 N -5.88 4.09 0.76 3.56 2.20 -1.18 -5.09 119.74 118.20 2qa4 s LYS 167 Ca -0.11 -0.23 -0.14 0.00 -0.36 0.00 0.00 55.97 55.13 2qa4 s LYS 167 Cb 0.22 -3.52 0.06 0.00 -1.51 0.00 0.00 37.83 33.07 2qa4 s LYS 167 CO 0.80 0.09 1.17 -1.25 -0.36 0.00 0.00 175.35 175.81 2qa4 s PRO 168 N 0.97 2.03 0.44 4.03 0.04 -1.26 -4.94 135.00 136.30 2qa4 s PRO 168 Ca 0.08 1.62 0.20 0.00 0.04 0.00 0.00 61.00 62.95 2qa4 s PRO 168 Cb -0.13 -1.83 1.01 0.00 0.04 0.00 0.00 34.50 33.58 2qa4 s PRO 168 CO 0.04 -1.89 1.91 0.74 0.04 0.00 0.00 177.00 177.84 2qa4 h PHE 169 N -0.61 0.00 0.00 0.56 -1.00 -1.98 -3.46 116.94 110.44 2qa4 h PHE 169 Ca -0.46 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.32 2qa4 h PHE 169 Cb 1.28 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.84 2qa4 h PHE 169 CO 0.50 0.26 0.00 0.28 -1.61 0.00 0.00 178.31 177.73 2qa4 n VAL 170 N -3.79 0.00 -3.79 -0.55 0.31 -1.26 -4.74 118.33 104.51 2qa4 n VAL 170 Ca -0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.19 2qa4 n VAL 170 Cb 0.36 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.19 2qa4 n VAL 170 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2qa4 s LYS 171 N 0.00 0.49 0.34 5.55 -2.85 -1.26 -5.03 119.74 116.97 2qa4 s LYS 171 Ca 0.00 -0.00 0.10 0.00 -1.00 0.00 0.00 55.97 55.07 2qa4 s LYS 171 Cb 0.00 0.22 0.89 0.00 -2.06 0.00 0.00 37.83 36.87 2qa4 s LYS 171 CO 0.00 -0.11 1.77 0.00 0.10 0.00 0.00 175.35 177.11 2qa4 h ALA 172 N 4.71 1.86 -0.47 0.59 0.00 -2.01 -0.00 119.26 123.94 2qa4 h ALA 172 Ca -0.28 0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.80 2qa4 h ALA 172 Cb 1.19 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 2qa4 h ALA 172 CO 0.37 -0.27 -0.00 0.78 0.00 0.00 0.00 179.25 180.13 2qa4 h GLY 173 N 0.61 0.48 1.33 0.00 0.00 -1.95 -0.75 103.07 102.78 2qa4 h GLY 173 Ca 0.59 0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.92 2qa4 h GLY 173 CO -0.38 -0.13 0.01 3.43 0.00 0.00 0.00 176.54 179.47 2qa4 h ASN 174 N 0.11 0.79 -0.06 0.19 2.35 -1.28 -2.48 115.58 115.20 2qa4 h ASN 174 Ca 0.24 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 2qa4 h ASN 174 Cb 0.35 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 2qa4 h ASN 174 CO -0.40 0.84 0.01 0.50 -1.65 0.00 0.00 177.43 176.73 2qa4 h LYS 175 N 0.77 0.10 -0.75 0.81 3.11 -1.25 -2.58 116.57 116.76 2qa4 h LYS 175 Ca 0.15 -0.03 0.15 0.00 -2.81 0.00 0.00 60.65 58.11 2qa4 h LYS 175 Cb 0.45 -0.01 -0.14 0.00 -1.00 0.00 0.00 32.23 31.52 2qa4 h LYS 175 CO 0.02 0.33 -0.20 1.25 -2.81 0.00 0.00 179.45 178.04 2qa4 h HIS 176 N -0.16 -0.43 -0.36 1.91 2.76 -0.92 0.26 115.15 118.21 2qa4 h HIS 176 Ca 0.02 0.07 -0.04 0.00 -2.20 0.00 0.00 60.37 58.22 2qa4 h HIS 176 Cb 0.29 0.31 -0.02 0.00 1.55 0.00 0.00 27.41 29.53 2qa4 h HIS 176 CO 0.02 -0.33 0.05 0.45 -1.30 0.00 0.00 177.93 176.82 2qa4 h HIS 177 N -0.01 0.54 -0.05 5.26 3.86 -1.30 -1.12 115.15 122.33 2qa4 h HIS 177 Ca 0.36 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.51 2qa4 h HIS 177 Cb 0.55 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.86 2qa4 h HIS 177 CO -0.60 0.50 -0.03 -0.22 0.86 0.00 0.00 177.93 178.43 2qa4 h LYS 178 N 0.52 0.10 -0.34 2.45 3.64 -0.17 -3.24 116.57 119.53 2qa4 h LYS 178 Ca 0.12 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2qa4 h LYS 178 Cb 0.26 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 2qa4 h LYS 178 CO 0.00 0.52 0.16 1.98 -2.27 0.00 0.00 179.45 179.84 2qa4 h MET 179 N -0.31 0.47 -0.14 1.90 4.05 -0.78 -2.32 114.93 117.80 2qa4 h MET 179 Ca 0.01 -0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2qa4 h MET 179 Cb 0.49 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 2qa4 h MET 179 CO 0.01 0.37 0.09 -0.22 0.23 0.00 0.00 176.91 177.40 2qa4 h LYS 180 N 0.48 0.08 -1.18 0.39 3.64 -1.24 -1.02 116.57 117.72 2qa4 h LYS 180 Ca 0.12 -0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 59.11 2qa4 h LYS 180 Cb 0.06 -0.02 -0.19 0.00 -0.41 0.00 0.00 32.23 31.67 2qa4 h LYS 180 CO -0.02 0.05 0.50 0.00 -2.27 0.00 0.00 179.45 177.72 2qa4 n ALA 181 N -2.54 5.04 -2.96 5.00 0.00 -0.87 -4.87 120.51 119.30 2qa4 n ALA 181 Ca -0.00 -2.07 -0.10 0.00 0.00 0.00 0.00 53.44 51.26 2qa4 n ALA 181 Cb 0.16 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.16 2qa4 n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qa4 s ARG 182 N -2.32 1.03 -1.25 0.00 1.81 -0.39 -4.77 118.95 113.06 2qa4 s ARG 182 Ca 0.40 -0.70 -0.09 0.00 -1.72 0.00 0.00 55.73 53.61 2qa4 s ARG 182 Cb 0.32 0.45 0.19 0.00 -0.45 0.00 0.00 34.95 35.46 2qa4 s ARG 182 CO 0.03 -0.39 1.80 0.41 -0.68 0.00 0.00 175.30 176.47 2qa4 n GLY 183 N -0.14 4.75 2.91 -3.53 0.00 -1.26 -4.65 105.19 103.26 2qa4 n GLY 183 Ca -0.16 -2.17 -0.12 0.00 0.00 0.00 0.00 46.02 43.57 2qa4 n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qa4 s THR 184 N 0.01 0.01 -0.01 2.61 2.01 -1.25 -4.70 115.64 114.31 2qa4 s THR 184 Ca 0.39 -0.10 -0.26 0.00 0.31 0.00 0.00 61.69 62.02 2qa4 s THR 184 Cb 0.08 -0.07 -0.04 0.00 0.01 0.00 0.00 72.50 72.48 2qa4 s THR 184 CO 0.02 -0.06 0.81 -0.75 -0.69 0.00 0.00 174.62 173.96 2qa4 s LYS 185 N -0.15 4.50 -0.11 4.92 2.47 -1.26 -4.92 119.74 125.19 2qa4 s LYS 185 Ca -0.02 1.12 -0.11 0.00 -1.56 0.00 0.00 55.97 55.40 2qa4 s LYS 185 Cb -0.01 -3.43 0.03 0.00 -1.46 0.00 0.00 37.83 32.96 2qa4 s LYS 185 CO -0.00 0.09 0.30 -0.46 0.16 0.00 0.00 175.35 175.44 2qa4 s TRP 186 N 0.63 -0.32 0.00 4.03 -0.00 -1.26 -4.79 118.94 117.23 2qa4 s TRP 186 Ca 0.43 0.78 0.00 0.00 -0.00 0.00 0.00 56.10 57.31 2qa4 s TRP 186 Cb -0.20 0.11 0.00 0.00 -0.00 0.00 0.00 33.47 33.38 2qa4 s TRP 186 CO 0.23 -0.17 0.00 -0.35 -0.00 0.00 0.00 176.95 176.66 2qa4 n PRO 187 N 2.83 0.62 -3.97 5.86 -0.04 -1.26 -5.10 135.00 133.94 2qa4 n PRO 187 Ca -0.13 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.08 2qa4 n PRO 187 Cb 0.58 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.87 2qa4 n PRO 187 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2qa4 s ASN 188 N -1.16 1.79 -0.22 3.54 0.01 -1.26 -5.11 114.94 112.54 2qa4 s ASN 188 Ca 0.00 -0.21 -0.19 0.00 -0.71 0.00 0.00 52.86 51.75 2qa4 s ASN 188 Cb 0.00 -0.67 -0.03 0.00 0.41 0.00 0.00 41.25 40.97 2qa4 s ASN 188 CO 0.00 -0.12 0.56 -0.69 -1.51 0.00 0.00 177.10 175.34 2qa4 s VAL 189 N 1.57 5.06 0.24 1.60 1.01 -1.26 -5.03 120.40 123.59 2qa4 s VAL 189 Ca 0.01 1.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.70 2qa4 s VAL 189 Cb -0.13 -3.88 -0.10 0.00 0.00 0.00 0.00 36.38 32.27 2qa4 s VAL 189 CO -0.05 0.13 1.50 -0.13 0.00 0.00 0.00 175.10 176.54 2qa4 s ARG 190 N 1.93 4.23 0.54 2.72 0.52 -1.26 -4.86 118.95 122.76 2qa4 s ARG 190 Ca 0.25 2.37 0.24 0.00 -0.52 0.00 0.00 55.73 58.07 2qa4 s ARG 190 Cb -0.16 -3.10 1.30 0.00 0.52 0.00 0.00 34.95 33.52 2qa4 s ARG 190 CO 0.10 -0.50 1.70 0.78 0.02 0.00 0.00 175.30 177.40 2qa4 h GLY 191 N 5.36 0.00 1.62 -3.53 0.00 -1.96 0.43 103.07 105.00 2qa4 h GLY 191 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2qa4 h GLY 191 CO 0.81 0.00 -0.19 -0.62 0.00 0.00 0.00 176.54 176.54 2qa4 n VAL 192 N -2.58 0.00 0.72 4.60 0.31 -1.26 -3.05 118.33 117.07 2qa4 n VAL 192 Ca -0.02 -0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.42 2qa4 n VAL 192 Cb 0.34 -0.22 0.03 0.00 -0.91 0.00 0.00 33.84 33.08 2qa4 n VAL 192 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qa4 n ALA 193 N -1.50 3.68 -1.92 3.52 0.00 0.15 -4.63 120.51 119.81 2qa4 n ALA 193 Ca 0.06 -0.43 -0.29 0.00 0.00 0.00 0.00 53.44 52.78 2qa4 n ALA 193 Cb 0.34 -0.95 0.13 0.00 0.00 0.00 0.00 19.45 18.97 2qa4 n ALA 193 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2qa4 s MET 194 N -3.13 1.39 0.83 0.00 -1.94 -1.17 -4.94 119.30 110.34 2qa4 s MET 194 Ca 0.06 -0.19 -0.12 0.00 -1.71 0.00 0.00 55.69 53.72 2qa4 s MET 194 Cb 0.15 -1.94 0.11 0.00 2.01 0.00 0.00 34.83 35.17 2qa4 s MET 194 CO 0.80 -1.92 1.19 -0.80 -0.01 0.00 0.00 175.02 174.28 2qa4 s ASN 195 N -4.72 4.19 0.16 3.03 0.01 -1.26 -2.09 114.94 114.26 2qa4 s ASN 195 Ca 0.67 0.59 -0.15 0.00 -0.71 0.00 0.00 52.86 53.26 2qa4 s ASN 195 Cb -0.08 -0.98 0.10 0.00 0.41 0.00 0.00 41.25 40.70 2qa4 s ASN 195 CO 0.50 -2.08 1.75 0.00 -1.51 0.00 0.00 177.10 175.76 2qa4 h ALA 196 N -1.14 0.48 -0.85 0.60 0.00 -1.85 -2.67 119.26 113.84 2qa4 h ALA 196 Ca -0.45 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.53 2qa4 h ALA 196 Cb 1.30 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 2qa4 h ALA 196 CO 0.58 -0.25 0.56 -0.24 0.00 0.00 0.00 179.25 179.90 2qa4 h VAL 197 N 0.30 1.17 0.00 0.00 3.04 -1.94 -3.23 116.25 115.59 2qa4 h VAL 197 Ca 0.19 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2qa4 h VAL 197 Cb 0.17 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.44 2qa4 h VAL 197 CO -0.19 0.20 0.00 0.47 -1.01 0.00 0.00 177.57 177.04 2qa4 n ASP 198 N -4.43 0.42 -3.64 3.17 8.00 -1.01 -3.16 116.55 115.90 2qa4 n ASP 198 Ca 0.11 0.55 -0.03 0.00 0.71 0.00 0.00 54.79 56.12 2qa4 n ASP 198 Cb 0.08 -0.66 -0.06 0.00 -0.02 0.00 0.00 41.12 40.46 2qa4 n ASP 198 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2qa4 s HIS 199 N -3.08 -0.10 0.37 1.24 2.46 -1.22 -4.55 115.29 110.41 2qa4 s HIS 199 Ca 0.11 0.22 0.17 0.00 0.47 0.00 0.00 55.06 56.03 2qa4 s HIS 199 Cb 0.14 0.48 1.09 0.00 -0.13 0.00 0.00 32.58 34.15 2qa4 s HIS 199 CO 0.51 -0.06 1.72 -1.00 -2.47 0.00 0.00 174.74 173.45 2qa4 h PRO 200 N 2.91 0.38 -0.00 2.88 0.13 -1.86 0.22 132.00 136.67 2qa4 h PRO 200 Ca -0.22 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2qa4 h PRO 200 Cb 1.19 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2qa4 h PRO 200 CO 0.19 0.25 0.00 1.19 -0.23 0.00 0.00 178.00 179.40 2qa4 n PHE 201 N -4.77 0.00 -0.83 1.56 0.99 -1.26 -4.76 117.46 108.40 2qa4 n PHE 201 Ca 0.28 -0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.43 2qa4 n PHE 201 Cb 0.93 0.00 0.26 0.00 -1.00 0.00 0.00 39.48 39.67 2qa4 n PHE 201 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 2qa4 s GLY 202 N -1.94 1.52 0.00 1.37 0.00 0.78 -4.29 107.32 104.77 2qa4 s GLY 202 Ca 0.45 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 44.26 2qa4 s GLY 202 CO 0.35 0.03 0.00 0.61 0.00 0.00 0.00 173.10 174.08 2qa4 n GLY 203 N -0.12 -0.57 0.00 0.20 0.00 -0.89 -4.49 105.19 99.32 2qa4 n GLY 203 Ca 0.13 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2qa4 n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qa4 n GLY 204 N 0.00 1.78 0.06 -0.02 0.00 -1.26 -4.72 105.19 101.02 2qa4 n GLY 204 Ca 0.00 -1.90 0.12 0.00 0.00 0.00 0.00 46.02 44.24 2qa4 n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qa4 n GLY 205 N 1.78 -1.42 3.44 -0.02 0.00 -1.26 -4.83 105.19 102.87 2qa4 n GLY 205 Ca 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 2qa4 n GLY 205 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qa4 s ARG 206 N -3.09 1.86 -0.53 1.61 1.70 -1.26 -5.11 118.95 114.12 2qa4 s ARG 206 Ca 0.10 -1.82 -0.18 0.00 -0.47 0.00 0.00 55.73 53.36 2qa4 s ARG 206 Cb 0.13 0.41 0.08 0.00 -0.57 0.00 0.00 34.95 35.01 2qa4 s ARG 206 CO 0.47 -0.75 0.59 -0.65 -1.08 0.00 0.00 175.30 173.88 2qa4 s GLN 207 N -3.17 3.06 -0.15 3.89 -0.21 -1.26 -4.94 119.66 116.87 2qa4 s GLN 207 Ca 0.33 -1.21 -0.30 0.00 0.02 0.00 0.00 55.36 54.21 2qa4 s GLN 207 Cb 0.00 -4.18 0.12 0.00 1.00 0.00 0.00 33.01 29.95 2qa4 s GLN 207 CO 0.22 -1.30 0.95 -3.38 -2.12 0.00 0.00 175.29 169.66 2qa4 s HIS 208 N 2.34 -0.43 0.03 0.91 -3.43 -1.26 -5.10 115.29 108.35 2qa4 s HIS 208 Ca 0.10 0.76 -0.26 0.00 -0.80 0.00 0.00 55.06 54.87 2qa4 s HIS 208 Cb -0.23 0.44 -0.05 0.00 -1.43 0.00 0.00 32.58 31.31 2qa4 s HIS 208 CO 0.08 -0.38 0.79 -1.25 -2.00 0.00 0.00 174.74 171.99 2qa4 s PRO 209 N -1.01 4.51 0.16 -0.38 0.04 -1.26 -4.88 135.00 132.18 2qa4 s PRO 209 Ca -0.03 1.11 0.08 0.00 0.04 0.00 0.00 61.00 62.20 2qa4 s PRO 209 Cb -0.01 -3.39 -0.09 0.00 0.04 0.00 0.00 34.50 31.06 2qa4 s PRO 209 CO 0.02 0.21 1.35 0.78 0.04 0.00 0.00 177.00 179.41 2qa4 h GLY 210 N 5.93 0.00 -2.67 0.56 0.00 -1.85 -3.45 103.07 101.58 2qa4 h GLY 210 Ca -0.43 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.40 2qa4 h GLY 210 CO 0.72 0.00 -0.06 0.54 0.00 0.00 0.00 176.54 177.74 2qa4 s LYS 211 N -2.88 3.58 0.42 4.80 1.02 -1.26 -5.03 119.74 120.38 2qa4 s LYS 211 Ca 0.01 0.00 -0.25 0.00 0.02 0.00 0.00 55.97 55.75 2qa4 s LYS 211 Cb 0.10 -2.56 -0.08 0.00 -0.52 0.00 0.00 37.83 34.78 2qa4 s LYS 211 CO 0.80 0.06 1.22 -1.25 -0.92 0.00 0.00 175.35 175.26 2qa4 s PRO 212 N -4.11 3.94 0.35 -1.68 0.04 -1.26 -4.94 135.00 127.34 2qa4 s PRO 212 Ca 0.44 1.95 0.04 0.00 0.04 0.00 0.00 61.00 63.47 2qa4 s PRO 212 Cb -0.10 -2.64 0.63 0.00 0.04 0.00 0.00 34.50 32.43 2qa4 s PRO 212 CO 0.36 -0.45 1.94 0.87 0.04 0.00 0.00 177.00 179.76 2qa4 h LYS 213 N 2.51 0.65 -7.13 4.56 1.57 -1.96 -3.44 116.57 113.33 2qa4 h LYS 213 Ca -0.49 -0.09 -0.51 0.00 -1.87 0.00 0.00 60.65 57.69 2qa4 h LYS 213 Cb 1.24 -0.12 0.09 0.00 0.08 0.00 0.00 32.23 33.53 2qa4 h LYS 213 CO 0.62 0.54 0.42 -1.12 -0.57 0.00 0.00 179.45 179.34 2qa4 s SER 214 N -6.64 5.34 -0.12 0.86 0.01 -1.26 -2.37 113.70 109.52 2qa4 s SER 214 Ca -0.09 2.19 -0.16 0.00 1.31 0.00 0.00 55.95 59.20 2qa4 s SER 214 Cb 0.16 -2.58 0.04 0.00 0.21 0.00 0.00 66.02 63.86 2qa4 s SER 214 CO 0.76 -1.48 0.41 -0.51 0.41 0.00 0.00 173.24 172.84 2qa4 s ILE 215 N -1.90 0.01 0.33 1.44 1.10 -0.55 -4.90 121.20 116.74 2qa4 s ILE 215 Ca 0.72 -0.10 -0.29 0.00 -0.51 0.00 0.00 60.65 60.47 2qa4 s ILE 215 Cb -0.25 -0.62 -0.11 0.00 0.15 0.00 0.00 42.46 41.64 2qa4 s ILE 215 CO 0.33 -0.06 1.43 -0.55 -2.11 0.00 0.00 174.94 173.99 2qa4 s SER 216 N -0.19 6.54 0.32 4.50 0.15 -1.26 -0.39 113.70 123.37 2qa4 s SER 216 Ca -0.04 2.86 0.06 0.00 0.70 0.00 0.00 55.95 59.54 2qa4 s SER 216 Cb -0.03 -2.65 0.74 0.00 -1.71 0.00 0.00 66.02 62.36 2qa4 s SER 216 CO 0.02 -0.74 1.82 0.03 1.20 0.00 0.00 173.24 175.57 2qa4 h ARG 217 N 3.60 0.76 0.00 5.44 2.47 -1.95 -0.62 114.38 124.08 2qa4 h ARG 217 Ca -0.49 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.18 2qa4 h ARG 217 Cb 1.23 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 2qa4 h ARG 217 CO 0.68 0.50 0.00 -0.91 0.56 0.00 0.00 179.97 180.80 2qa4 h ASN 218 N 0.78 0.00 -3.61 7.04 2.35 -2.05 -3.46 115.58 116.63 2qa4 h ASN 218 Ca 0.52 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.71 2qa4 h ASN 218 Cb 0.77 0.00 0.12 0.00 0.05 0.00 0.00 38.32 39.26 2qa4 h ASN 218 CO -0.29 0.00 0.57 0.00 -1.65 0.00 0.00 177.43 176.06 2qa4 n ALA 219 N -1.83 1.58 -1.68 -0.83 0.00 -0.24 -4.98 120.51 112.53 2qa4 n ALA 219 Ca 0.02 0.30 -0.33 0.00 0.00 0.00 0.00 53.44 53.43 2qa4 n ALA 219 Cb 0.24 -2.31 0.01 0.00 0.00 0.00 0.00 19.45 17.39 2qa4 n ALA 219 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qa4 s PRO 220 N -2.14 3.36 0.37 0.00 0.04 -1.26 -4.77 135.00 130.60 2qa4 s PRO 220 Ca 0.58 1.20 -0.28 0.00 0.04 0.00 0.00 61.00 62.54 2qa4 s PRO 220 Cb -0.51 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 31.89 2qa4 s PRO 220 CO 0.60 -0.77 1.42 -1.25 0.04 0.00 0.00 177.00 177.03 2qa4 s PRO 221 N -4.05 4.13 0.00 0.56 0.04 -1.26 -2.13 135.00 132.30 2qa4 s PRO 221 Ca 0.63 2.43 0.00 0.00 0.04 0.00 0.00 61.00 64.10 2qa4 s PRO 221 Cb -0.16 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 31.43 2qa4 s PRO 221 CO 0.36 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.35 2qa4 n GLY 222 N 0.58 2.53 0.00 0.56 0.00 -1.26 -4.78 105.19 102.82 2qa4 n GLY 222 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2qa4 n GLY 222 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qa4 n ARG 223 N -0.54 2.21 -2.11 1.61 0.63 -0.90 -4.77 116.66 112.79 2qa4 n ARG 223 Ca 0.00 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.58 2qa4 n ARG 223 Cb 0.00 -0.78 -0.04 0.00 0.45 0.00 0.00 32.46 32.09 2qa4 n ARG 223 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2qa4 n LYS 224 N -1.01 2.17 -4.47 -0.14 4.81 -1.12 -4.87 118.16 113.53 2qa4 n LYS 224 Ca 0.00 -2.67 -0.23 0.00 -0.87 0.00 0.00 58.31 54.54 2qa4 n LYS 224 Cb 0.00 -3.55 -0.09 0.00 0.02 0.00 0.00 35.03 31.41 2qa4 n LYS 224 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2qa4 s VAL 225 N 7.80 0.77 0.00 3.15 -7.23 -1.26 -5.03 120.40 118.60 2qa4 s VAL 225 Ca 0.61 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 2qa4 s VAL 225 Cb 0.03 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.45 2qa4 s VAL 225 CO 0.10 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 2qa4 n GLY 226 N -0.78 0.12 3.56 2.32 0.00 -1.26 -4.56 105.19 104.58 2qa4 n GLY 226 Ca -0.04 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 2qa4 n GLY 226 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qa4 s ASP 227 N -4.00 4.45 -0.17 1.61 1.01 -1.00 -4.94 116.67 113.63 2qa4 s ASP 227 Ca 0.00 -0.23 -0.29 0.00 0.71 0.00 0.00 52.55 52.74 2qa4 s ASP 227 Cb 0.00 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 2qa4 s ASP 227 CO 0.00 -3.36 1.38 -0.63 0.21 0.00 0.00 175.17 172.77 2qa4 s ILE 228 N 12.67 4.07 -0.66 0.77 1.01 -1.26 -1.48 121.20 136.32 2qa4 s ILE 228 Ca 0.83 1.27 -0.03 0.00 0.00 0.00 0.00 60.65 62.72 2qa4 s ILE 228 Cb -0.10 -3.90 0.03 0.00 0.01 0.00 0.00 42.46 38.50 2qa4 s ILE 228 CO 0.05 -0.20 0.12 0.00 0.00 0.00 0.00 174.94 174.91 2qa4 n ALA 229 N 7.08 -0.96 -1.58 9.38 0.00 0.48 -4.78 120.51 130.12 2qa4 n ALA 229 Ca 0.15 0.03 -0.53 0.00 0.00 0.00 0.00 53.44 53.09 2qa4 n ALA 229 Cb 0.45 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.54 2qa4 n ALA 229 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qa4 n SER 230 N -1.79 1.45 -0.03 0.00 3.41 -1.24 -4.82 113.62 110.61 2qa4 n SER 230 Ca -0.04 1.12 0.14 0.00 -0.26 0.00 0.00 58.87 59.84 2qa4 n SER 230 Cb 0.54 -1.16 0.65 0.00 -0.26 0.00 0.00 64.21 63.97 2qa4 n SER 230 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2qa4 n LYS 231 N 2.36 0.36 0.00 4.33 5.02 -1.26 -4.94 118.16 124.04 2qa4 n LYS 231 Ca 0.18 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2qa4 n LYS 231 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 2qa4 n LYS 231 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2qa4 n ARG 232 N -1.27 -2.28 -1.24 1.97 1.85 -1.26 -5.19 116.66 109.24 2qa4 n ARG 232 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.97 2qa4 n ARG 232 Cb 0.28 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.69 2qa4 n ARG 232 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2qa4 n THR 233 N -0.64 0.00 -1.40 8.89 -2.24 -1.26 -5.13 114.28 112.50 2qa4 n THR 233 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 2qa4 n THR 233 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 2qa4 n THR 233 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qa4 n GLY 234 N 0.00 -0.73 0.03 3.38 0.00 -1.26 -4.76 105.19 101.85 2qa4 n GLY 234 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 46.02 45.45 2qa4 n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qa4 n ARG 235 N -1.79 1.58 -1.50 1.61 1.74 -1.26 -5.03 116.66 112.00 2qa4 n ARG 235 Ca 0.00 0.02 -0.53 0.00 -0.77 0.00 0.00 57.85 56.57 2qa4 n ARG 235 Cb 0.19 -1.15 -0.07 0.00 -1.02 0.00 0.00 32.46 30.42 2qa4 n ARG 235 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qa4 n GLY 236 N 2.91 0.58 0.00 -0.13 0.00 -1.26 -5.29 105.19 102.01 2qa4 n GLY 236 Ca -0.11 0.95 0.00 0.00 0.00 0.00 0.00 46.02 46.86 2qa4 n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93