#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pq0 s ARG 3 N 0.00 3.88 0.15 1.61 1.81 -1.26 -5.10 118.95 120.04 2pq0 s ARG 3 Ca 0.00 0.62 0.08 0.00 -1.72 0.00 0.00 55.73 54.71 2pq0 s ARG 3 Cb 0.00 -2.35 -0.04 0.00 -0.45 0.00 0.00 34.95 32.11 2pq0 s ARG 3 CO 0.00 -0.03 -0.06 0.15 -0.68 0.00 0.00 175.30 174.68 2pq0 s LYS 4 N -3.65 2.22 -0.01 3.54 1.02 -1.26 -4.71 119.74 116.89 2pq0 s LYS 4 Ca 0.54 -1.12 -0.02 0.00 0.02 0.00 0.00 55.97 55.38 2pq0 s LYS 4 Cb -0.10 -2.29 -0.00 0.00 -0.52 0.00 0.00 37.83 34.92 2pq0 s LYS 4 CO 0.27 0.47 0.05 -1.50 -0.92 0.00 0.00 175.35 173.72 2pq0 s ILE 5 N -1.55 0.03 -0.10 2.17 2.07 -0.79 -1.06 121.20 121.97 2pq0 s ILE 5 Ca 0.25 -0.29 0.02 0.00 -1.41 0.00 0.00 60.65 59.22 2pq0 s ILE 5 Cb -0.10 -0.17 0.01 0.00 0.13 0.00 0.00 42.46 42.33 2pq0 s ILE 5 CO 0.16 -0.16 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.18 2pq0 s VAL 6 N -0.47 1.54 -0.11 4.00 1.01 0.29 -0.62 120.40 126.04 2pq0 s VAL 6 Ca -0.05 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 2pq0 s VAL 6 Cb -0.03 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 2pq0 s VAL 6 CO 0.00 0.45 0.08 -0.36 0.00 0.00 0.00 175.10 175.27 2pq0 s PHE 7 N 0.85 3.41 -0.01 5.22 0.08 -0.06 -1.56 117.98 125.90 2pq0 s PHE 7 Ca -0.09 0.38 0.05 0.00 0.12 0.00 0.00 56.93 57.38 2pq0 s PHE 7 Cb -0.15 -1.88 -0.01 0.00 -0.57 0.00 0.00 43.02 40.41 2pq0 s PHE 7 CO 0.01 0.61 -0.15 -0.06 -0.10 0.00 0.00 175.22 175.53 2pq0 s PHE 8 N -0.94 1.38 0.46 0.36 0.08 0.25 -1.25 117.98 118.32 2pq0 s PHE 8 Ca 0.14 -0.27 -0.02 0.00 0.12 0.00 0.00 56.93 56.90 2pq0 s PHE 8 Cb -0.12 -0.89 -0.02 0.00 -0.57 0.00 0.00 43.02 41.42 2pq0 s PHE 8 CO 0.03 -0.03 0.72 0.34 -0.10 0.00 0.00 175.22 176.18 2pq0 s ASP 9 N -0.32 6.00 -0.06 1.36 2.15 -1.09 -0.75 116.67 123.96 2pq0 s ASP 9 Ca 0.05 0.57 -0.02 0.00 0.43 0.00 0.00 52.55 53.59 2pq0 s ASP 9 Cb -0.06 -1.86 -0.01 0.00 -0.30 0.00 0.00 42.92 40.69 2pq0 s ASP 9 CO -0.00 -0.65 -0.04 0.40 -0.17 0.00 0.00 175.17 174.71 2pq0 h ILE 10 N 0.32 0.00 -3.39 4.11 2.04 -1.92 -3.21 117.51 115.46 2pq0 h ILE 10 Ca -0.47 -0.54 -0.54 0.00 1.00 0.00 0.00 64.86 64.31 2pq0 h ILE 10 Cb 1.23 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 2pq0 h ILE 10 CO 0.60 0.00 0.40 -1.81 0.00 0.00 0.00 178.15 177.34 2pq0 s ASP 11 N -4.50 7.33 0.00 1.72 1.01 -1.26 -1.33 116.67 119.64 2pq0 s ASP 11 Ca -0.03 1.72 0.00 0.00 0.71 0.00 0.00 52.55 54.95 2pq0 s ASP 11 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 2pq0 s ASP 11 CO 0.04 -0.28 0.00 0.61 0.21 0.00 0.00 175.17 175.75 2pq0 n GLY 12 N 2.91 2.66 0.71 0.21 0.00 0.65 -4.78 105.19 107.56 2pq0 n GLY 12 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 2pq0 n GLY 12 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2pq0 n THR 13 N -2.00 1.33 0.03 2.61 -1.04 -1.19 -4.60 114.28 109.42 2pq0 n THR 13 Ca 0.00 0.31 -0.19 0.00 -2.04 0.00 0.00 64.05 62.13 2pq0 n THR 13 Cb 0.00 -1.86 -0.14 0.00 -1.82 0.00 0.00 70.33 66.51 2pq0 n THR 13 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2pq0 h LEU 14 N -0.35 0.41 -9.15 -4.42 3.38 -1.20 -3.46 115.31 100.52 2pq0 h LEU 14 Ca -0.00 -0.75 -0.68 0.00 0.09 0.00 0.00 57.88 56.54 2pq0 h LEU 14 Cb 0.35 -0.13 -0.18 0.00 0.09 0.00 0.00 40.66 40.79 2pq0 h LEU 14 CO -0.00 1.65 -0.68 -0.76 0.09 0.00 0.00 178.44 178.74 2pq0 s LEU 15 N -6.97 3.24 0.00 1.67 1.43 -0.44 -4.16 118.68 113.45 2pq0 s LEU 15 Ca -0.16 -0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 52.90 2pq0 s LEU 15 Cb 0.07 -1.73 0.04 0.00 0.03 0.00 0.00 46.19 44.59 2pq0 s LEU 15 CO 0.81 0.36 0.23 -0.90 0.23 0.00 0.00 176.35 177.07 2pq0 n ASP 16 N 2.12 -0.07 0.16 2.29 5.68 -0.28 -0.25 116.55 126.21 2pq0 n ASP 16 Ca -0.18 -1.05 0.15 0.00 -0.50 0.00 0.00 54.79 53.22 2pq0 n ASP 16 Cb 0.53 -0.17 0.73 0.00 -1.14 0.00 0.00 41.12 41.07 2pq0 n ASP 16 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2pq0 h GLU 17 N 0.00 0.00 -0.46 0.11 4.81 -1.95 0.29 114.58 117.38 2pq0 h GLU 17 Ca -0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2pq0 h GLU 17 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2pq0 h GLU 17 CO 0.05 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.37 2pq0 n GLN 18 N -4.20 2.08 -2.13 1.92 3.00 -1.26 -4.89 117.38 111.90 2pq0 n GLN 18 Ca 0.03 -1.66 -0.13 0.00 -0.01 0.00 0.00 57.00 55.23 2pq0 n GLN 18 Cb 0.33 -1.36 -0.01 0.00 0.00 0.00 0.00 30.24 29.19 2pq0 n GLN 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2pq0 n LYS 19 N 0.84 -0.99 -3.99 -1.09 4.01 0.09 -5.00 118.16 112.03 2pq0 n LYS 19 Ca 0.15 0.65 -0.35 0.00 -0.51 0.00 0.00 58.31 58.25 2pq0 n LYS 19 Cb 0.39 -4.83 -0.06 0.00 -0.51 0.00 0.00 35.03 30.02 2pq0 n LYS 19 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 2pq0 s GLN 20 N -4.43 3.32 -0.37 1.97 -1.52 -1.26 -4.78 119.66 112.59 2pq0 s GLN 20 Ca 0.00 -0.26 -0.19 0.00 -1.95 0.00 0.00 55.36 52.96 2pq0 s GLN 20 Cb 0.00 -3.07 0.00 0.00 -0.22 0.00 0.00 33.01 29.73 2pq0 s GLN 20 CO 0.00 0.73 0.56 -1.17 -0.25 0.00 0.00 175.29 175.16 2pq0 s LEU 21 N -1.28 4.38 0.26 2.90 2.96 -1.26 -1.12 118.68 125.51 2pq0 s LEU 21 Ca 0.18 -0.07 -0.30 0.00 -0.22 0.00 0.00 54.13 53.72 2pq0 s LEU 21 Cb -0.12 -2.65 -0.10 0.00 0.50 0.00 0.00 46.19 43.81 2pq0 s LEU 21 CO 0.08 -0.57 1.49 -2.84 -1.32 0.00 0.00 176.35 173.19 2pq0 s PRO 22 N 2.53 4.22 0.27 0.98 0.02 -1.26 -4.91 135.00 136.85 2pq0 s PRO 22 Ca 0.20 2.39 -0.00 0.00 0.02 0.00 0.00 61.00 63.62 2pq0 s PRO 22 Cb -0.15 -3.08 0.57 0.00 0.02 0.00 0.00 34.50 31.86 2pq0 s PRO 22 CO 0.15 -0.49 1.75 -0.07 -0.33 0.00 0.00 177.00 178.01 2pq0 h LEU 23 N 5.00 0.51 -1.77 -5.54 4.07 -1.98 -0.29 115.31 115.30 2pq0 h LEU 23 Ca -0.46 0.10 -0.03 0.00 0.08 0.00 0.00 57.88 57.57 2pq0 h LEU 23 Cb 1.22 0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.98 2pq0 h LEU 23 CO 0.78 0.19 -0.16 0.77 -1.08 0.00 0.00 178.44 178.95 2pq0 h SER 24 N 0.59 0.00 0.44 -0.43 4.64 -1.99 -1.85 113.55 114.94 2pq0 h SER 24 Ca 0.48 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.64 2pq0 h SER 24 Cb 0.72 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 2pq0 h SER 24 CO -0.39 0.16 -0.71 0.74 -0.87 0.00 0.00 176.83 175.76 2pq0 h THR 25 N 0.00 1.42 -0.53 2.95 2.02 -1.43 0.18 112.91 117.52 2pq0 h THR 25 Ca -0.00 -2.21 -0.12 0.00 0.77 0.00 0.00 66.41 64.84 2pq0 h THR 25 Cb 0.39 2.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.95 2pq0 h THR 25 CO 0.02 0.65 -0.14 0.40 0.37 0.00 0.00 175.52 176.82 2pq0 h ILE 26 N 0.16 1.27 -0.32 3.11 2.04 -1.12 -1.34 117.51 121.31 2pq0 h ILE 26 Ca -0.02 -1.31 -0.05 0.00 1.00 0.00 0.00 64.86 64.48 2pq0 h ILE 26 Cb 1.26 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 2pq0 h ILE 26 CO 0.11 0.46 -0.01 -0.08 0.00 0.00 0.00 178.15 178.63 2pq0 h GLU 27 N 0.91 0.57 0.10 2.37 4.22 -1.14 -2.31 114.58 119.29 2pq0 h GLU 27 Ca 0.13 -0.19 0.02 0.00 0.08 0.00 0.00 59.36 59.41 2pq0 h GLU 27 Cb 0.72 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 2pq0 h GLU 27 CO 0.06 0.71 -0.40 0.00 -2.18 0.00 0.00 179.01 177.19 2pq0 h ALA 28 N 0.84 -0.70 -0.91 2.92 0.00 -0.42 0.11 119.26 121.11 2pq0 h ALA 28 Ca 0.09 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2pq0 h ALA 28 Cb 0.46 0.68 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 2pq0 h ALA 28 CO 0.02 -0.96 0.58 0.28 0.00 0.00 0.00 179.25 179.16 2pq0 h VAL 29 N -0.63 1.08 -0.25 0.00 2.07 -1.26 -0.53 116.25 116.73 2pq0 h VAL 29 Ca 0.03 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.19 2pq0 h VAL 29 Cb 0.66 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2pq0 h VAL 29 CO -0.24 0.19 0.15 -0.09 0.02 0.00 0.00 177.57 177.60 2pq0 h ARG 30 N 1.06 0.29 -0.50 1.57 2.43 -0.89 -1.31 114.38 117.04 2pq0 h ARG 30 Ca 0.39 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.53 2pq0 h ARG 30 Cb 0.13 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2pq0 h ARG 30 CO -0.16 0.19 0.29 0.00 -1.51 0.00 0.00 179.97 178.78 2pq0 h ARG 31 N 0.30 0.69 -0.09 0.20 2.47 -0.27 -2.18 114.38 115.50 2pq0 h ARG 31 Ca 0.10 -0.07 0.02 0.00 -1.26 0.00 0.00 59.98 58.77 2pq0 h ARG 31 Cb -0.01 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.15 2pq0 h ARG 31 CO -0.04 0.52 -0.04 -0.07 0.56 0.00 0.00 179.97 180.89 2pq0 h LEU 32 N 0.67 -0.14 -0.42 3.04 3.38 -0.74 -2.38 115.31 118.72 2pq0 h LEU 32 Ca 0.18 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.21 2pq0 h LEU 32 Cb 0.02 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2pq0 h LEU 32 CO -0.03 -0.06 0.23 0.11 0.09 0.00 0.00 178.44 178.78 2pq0 h LYS 33 N -0.03 0.45 -0.67 1.13 1.57 -1.15 -1.27 116.57 116.60 2pq0 h LYS 33 Ca 0.05 -0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.94 2pq0 h LYS 33 Cb 0.11 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2pq0 h LYS 33 CO -0.11 0.30 0.45 0.37 -0.57 0.00 0.00 179.45 179.89 2pq0 h GLN 34 N 0.47 0.31 -0.01 3.15 4.15 -1.16 -0.07 115.11 121.95 2pq0 h GLN 34 Ca 0.17 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.57 2pq0 h GLN 34 Cb 0.04 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.66 2pq0 h GLN 34 CO -0.10 0.20 -0.07 0.43 -1.93 0.00 0.00 178.83 177.37 2pq0 n SER 35 N -4.45 0.66 0.00 -0.69 7.64 -0.77 -4.91 113.62 111.10 2pq0 n SER 35 Ca 0.12 -0.92 0.00 0.00 1.01 0.00 0.00 58.87 59.08 2pq0 n SER 35 Cb 0.51 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 2pq0 n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pq0 n GLY 36 N 1.19 0.70 3.72 0.23 0.00 -0.04 -5.04 105.19 105.97 2pq0 n GLY 36 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2pq0 n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pq0 s VAL 37 N -2.03 4.99 0.21 1.61 1.01 -0.55 -4.62 120.40 121.02 2pq0 s VAL 37 Ca 0.00 1.46 -0.30 0.00 0.00 0.00 0.00 61.98 63.15 2pq0 s VAL 37 Cb 0.00 -4.05 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 2pq0 s VAL 37 CO 0.00 0.28 1.11 -0.31 0.00 0.00 0.00 175.10 176.18 2pq0 s TYR 38 N 0.60 3.57 -0.11 5.22 2.02 -0.22 -3.89 117.35 124.53 2pq0 s TYR 38 Ca 0.37 1.61 0.03 0.00 -0.37 0.00 0.00 57.07 58.71 2pq0 s TYR 38 Cb -0.18 -3.30 -0.00 0.00 -0.40 0.00 0.00 41.96 38.08 2pq0 s TYR 38 CO 0.19 -0.67 -0.21 0.08 -1.57 0.00 0.00 175.55 173.37 2pq0 s VAL 39 N -0.51 2.33 0.02 0.71 1.01 -1.26 -0.55 120.40 122.14 2pq0 s VAL 39 Ca 0.48 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 2pq0 s VAL 39 Cb -0.31 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.17 2pq0 s VAL 39 CO 0.37 0.55 0.29 0.00 0.00 0.00 0.00 175.10 176.30 2pq0 s ALA 40 N 0.43 -0.67 -0.03 5.51 0.00 -0.60 -4.40 121.76 122.01 2pq0 s ALA 40 Ca -0.15 0.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.87 2pq0 s ALA 40 Cb -0.17 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 2pq0 s ALA 40 CO 0.06 -0.33 0.19 0.42 0.00 0.00 0.00 175.76 176.10 2pq0 s ILE 41 N -1.99 5.42 -0.17 0.00 1.01 -1.09 -0.59 121.20 123.78 2pq0 s ILE 41 Ca -0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.54 2pq0 s ILE 41 Cb -0.03 -3.52 0.04 0.00 0.01 0.00 0.00 42.46 38.96 2pq0 s ILE 41 CO 0.00 0.39 -0.06 0.00 0.00 0.00 0.00 174.94 175.27 2pq0 s ALA 42 N -1.26 1.58 0.19 9.38 0.00 0.07 -0.72 121.76 131.00 2pq0 s ALA 42 Ca 0.25 -0.90 -0.09 0.00 0.00 0.00 0.00 51.96 51.22 2pq0 s ALA 42 Cb -0.13 -1.16 -0.01 0.00 0.00 0.00 0.00 23.12 21.83 2pq0 s ALA 42 CO 0.15 -0.80 0.32 -0.08 0.00 0.00 0.00 175.76 175.36 2pq0 s THR 43 N 1.59 0.04 -1.06 0.00 -1.32 0.09 -4.26 115.64 110.71 2pq0 s THR 43 Ca 0.00 -1.48 0.25 0.00 -1.21 0.00 0.00 61.69 59.25 2pq0 s THR 43 Cb -0.15 -2.05 -0.00 0.00 -1.51 0.00 0.00 72.50 68.78 2pq0 s THR 43 CO -0.08 -0.16 1.37 0.61 -2.21 0.00 0.00 174.62 174.15 2pq0 n GLY 44 N -0.27 -1.17 3.67 6.08 0.00 -1.26 -2.48 105.19 109.75 2pq0 n GLY 44 Ca -0.04 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 2pq0 n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pq0 s ARG 45 N -2.96 0.77 0.29 1.61 0.52 -1.26 -3.56 118.95 114.36 2pq0 s ARG 45 Ca 0.12 0.89 -0.15 0.00 -0.52 0.00 0.00 55.73 56.06 2pq0 s ARG 45 Cb 0.17 -1.75 -0.09 0.00 0.52 0.00 0.00 34.95 33.81 2pq0 s ARG 45 CO 0.71 -2.59 0.72 0.00 0.02 0.00 0.00 175.30 174.15 2pq0 s ALA 46 N -2.82 3.36 0.21 2.13 0.00 -1.26 -0.40 121.76 122.98 2pq0 s ALA 46 Ca 0.65 0.04 -0.15 0.00 0.00 0.00 0.00 51.96 52.49 2pq0 s ALA 46 Cb -0.20 -2.75 0.23 0.00 0.00 0.00 0.00 23.12 20.40 2pq0 s ALA 46 CO 0.58 0.35 1.60 -1.35 0.00 0.00 0.00 175.76 176.94 2pq0 h PRO 47 N 2.50 -0.06 -3.16 0.00 0.11 -1.84 -3.31 132.00 126.25 2pq0 h PRO 47 Ca -0.48 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 2pq0 h PRO 47 Cb 1.18 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2pq0 h PRO 47 CO 0.66 -0.04 0.81 1.97 -0.21 0.00 0.00 178.00 181.18 2pq0 n PHE 48 N -5.46 0.20 0.00 0.65 -1.74 -1.20 -3.11 117.46 106.80 2pq0 n PHE 48 Ca 0.08 -0.61 0.00 0.00 -0.56 0.00 0.00 57.45 56.35 2pq0 n PHE 48 Cb 0.36 -0.80 0.00 0.00 1.52 0.00 0.00 39.48 40.56 2pq0 n PHE 48 CO 0.00 0.00 0.00 1.97 -0.56 0.00 0.00 176.76 178.17 2pq0 n PHE 50 N 3.57 0.00 0.09 2.97 1.16 -1.25 -4.90 117.46 119.10 2pq0 n PHE 50 Ca 0.13 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.65 2pq0 n PHE 50 Cb 0.15 -0.01 0.11 0.00 -1.61 0.00 0.00 39.48 38.12 2pq0 n PHE 50 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 2pq0 h GLU 51 N 0.64 0.23 -0.30 3.97 4.81 -1.87 -2.77 114.58 119.29 2pq0 h GLU 51 Ca 0.00 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 2pq0 h GLU 51 Cb 0.00 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2pq0 h GLU 51 CO 0.00 0.78 0.12 1.25 -0.73 0.00 0.00 179.01 180.43 2pq0 h HIS 52 N 0.16 0.45 -0.85 0.92 2.76 -1.91 -0.80 115.15 115.89 2pq0 h HIS 52 Ca -0.01 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.11 2pq0 h HIS 52 Cb 1.13 -0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.92 2pq0 h HIS 52 CO 0.02 0.43 0.44 0.28 -1.30 0.00 0.00 177.93 177.81 2pq0 h VAL 53 N 0.33 1.25 -0.46 5.26 2.07 -1.99 -0.63 116.25 122.08 2pq0 h VAL 53 Ca 0.10 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2pq0 h VAL 53 Cb 0.18 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 2pq0 h VAL 53 CO -0.01 0.29 0.27 0.03 0.02 0.00 0.00 177.57 178.18 2pq0 h ARG 54 N 1.20 0.63 -0.31 1.57 3.08 -1.19 -1.69 114.38 117.66 2pq0 h ARG 54 Ca 0.30 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.22 2pq0 h ARG 54 Cb 0.06 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2pq0 h ARG 54 CO -0.04 0.47 -0.09 0.87 -1.07 0.00 0.00 179.97 180.11 2pq0 h LYS 55 N 0.61 0.51 -0.61 0.04 1.57 -0.65 0.22 116.57 118.26 2pq0 h LYS 55 Ca 0.17 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 2pq0 h LYS 55 Cb 0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2pq0 h LYS 55 CO -0.03 0.60 -0.00 1.96 -0.57 0.00 0.00 179.45 181.41 2pq0 h GLN 56 N 0.48 1.09 -0.14 3.15 4.20 -0.56 -3.13 115.11 120.19 2pq0 h GLN 56 Ca 0.09 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.45 2pq0 h GLN 56 Cb 0.45 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2pq0 h GLN 56 CO 0.02 1.06 0.00 1.28 -0.67 0.00 0.00 178.83 180.52 2pq0 n LEU 57 N -4.18 3.10 -3.45 1.46 4.77 -0.69 -4.96 117.00 113.05 2pq0 n LEU 57 Ca 0.03 -1.16 -0.22 0.00 -0.03 0.00 0.00 56.01 54.63 2pq0 n LEU 57 Cb 0.35 -0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.44 2pq0 n LEU 57 CO 0.44 0.57 0.22 0.61 -1.33 0.00 0.00 177.39 177.91 2pq0 n GLY 58 N 1.36 -0.46 3.50 -0.72 0.00 0.56 -4.93 105.19 104.50 2pq0 n GLY 58 Ca 0.15 0.20 -0.37 0.00 0.00 0.00 0.00 46.02 46.00 2pq0 n GLY 58 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pq0 s ILE 59 N -3.31 4.74 -0.13 -0.61 1.01 0.02 -4.95 121.20 117.97 2pq0 s ILE 59 Ca 0.48 -0.06 0.15 0.00 0.00 0.00 0.00 60.65 61.21 2pq0 s ILE 59 Cb -0.21 -3.26 0.32 0.00 0.01 0.00 0.00 42.46 39.32 2pq0 s ILE 59 CO 0.70 0.27 1.16 -0.90 0.00 0.00 0.00 174.94 176.17 2pq0 n ASP 60 N 4.99 1.75 -4.02 3.58 5.75 -1.26 -4.63 116.55 122.71 2pq0 n ASP 60 Ca -0.15 -3.18 -0.23 0.00 -0.01 0.00 0.00 54.79 51.23 2pq0 n ASP 60 Cb 0.51 -0.43 -0.16 0.00 -1.03 0.00 0.00 41.12 40.01 2pq0 n ASP 60 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2pq0 s SER 61 N -2.73 1.53 -0.01 -1.12 0.01 -1.26 -1.00 113.70 109.11 2pq0 s SER 61 Ca 0.31 -0.25 -0.30 0.00 1.31 0.00 0.00 55.95 57.03 2pq0 s SER 61 Cb 0.29 -0.53 0.10 0.00 0.21 0.00 0.00 66.02 66.10 2pq0 s SER 61 CO -0.03 0.06 1.01 0.72 0.41 0.00 0.00 173.24 175.41 2pq0 s PHE 62 N 0.35 -0.23 -0.26 2.43 -0.71 0.58 -2.68 117.98 117.46 2pq0 s PHE 62 Ca -0.07 0.08 -0.01 0.00 -1.04 0.00 0.00 56.93 55.89 2pq0 s PHE 62 Cb -0.12 0.55 0.04 0.00 -1.21 0.00 0.00 43.02 42.28 2pq0 s PHE 62 CO 0.02 -0.50 -0.07 0.08 -1.34 0.00 0.00 175.22 173.41 2pq0 s VAL 63 N -2.94 2.73 0.50 -2.49 1.01 0.10 -0.60 120.40 118.72 2pq0 s VAL 63 Ca 0.08 -1.19 0.02 0.00 0.00 0.00 0.00 61.98 60.89 2pq0 s VAL 63 Cb -0.01 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 2pq0 s VAL 63 CO -0.05 0.12 0.01 -0.94 0.00 0.00 0.00 175.10 174.24 2pq0 s SER 64 N 1.27 4.11 -1.51 3.32 1.04 -0.22 -0.73 113.70 120.98 2pq0 s SER 64 Ca -0.02 -1.61 -0.08 0.00 0.48 0.00 0.00 55.95 54.72 2pq0 s SER 64 Cb -0.18 0.40 0.06 0.00 0.10 0.00 0.00 66.02 66.41 2pq0 s SER 64 CO -0.04 -0.80 0.65 0.49 0.98 0.00 0.00 173.24 174.51 2pq0 n PHE 65 N -1.24 -1.80 -3.62 5.02 3.72 0.46 -1.25 117.46 118.75 2pq0 n PHE 65 Ca -0.17 0.80 -0.27 0.00 -0.05 0.00 0.00 57.45 57.76 2pq0 n PHE 65 Cb 0.67 -3.58 -0.01 0.00 -0.94 0.00 0.00 39.48 35.62 2pq0 n PHE 65 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2pq0 n ASN 66 N -2.86 -3.59 0.00 4.37 4.13 -1.03 -1.68 115.26 114.59 2pq0 n ASN 66 Ca -0.13 -0.57 0.00 0.00 1.68 0.00 0.00 54.58 55.56 2pq0 n ASN 66 Cb 0.60 -2.96 0.00 0.00 -1.54 0.00 0.00 39.78 35.88 2pq0 n ASN 66 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2pq0 n GLY 67 N -1.24 0.43 0.03 7.41 0.00 -0.38 -1.28 105.19 110.16 2pq0 n GLY 67 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 2pq0 n GLY 67 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pq0 n GLN 68 N -2.00 0.14 -3.47 1.61 3.00 -0.68 -4.57 117.38 111.41 2pq0 n GLN 68 Ca 0.00 -0.06 -0.18 0.00 -0.01 0.00 0.00 57.00 56.75 2pq0 n GLN 68 Cb 0.00 -1.50 -0.12 0.00 0.00 0.00 0.00 30.24 28.62 2pq0 n GLN 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 2pq0 s TYR 69 N -2.91 -0.31 -0.16 1.08 5.04 -1.17 -0.99 117.35 117.93 2pq0 s TYR 69 Ca 0.15 0.16 0.01 0.00 -2.44 0.00 0.00 57.07 54.95 2pq0 s TYR 69 Cb 0.18 -0.37 0.01 0.00 0.35 0.00 0.00 41.96 42.13 2pq0 s TYR 69 CO 0.62 -0.67 -0.19 0.08 -1.34 0.00 0.00 175.55 174.05 2pq0 s VAL 70 N 2.34 2.21 -0.03 3.14 1.01 0.84 -1.05 120.40 128.85 2pq0 s VAL 70 Ca 0.08 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.19 2pq0 s VAL 70 Cb -0.15 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 2pq0 s VAL 70 CO -0.16 0.53 -0.14 -0.69 0.00 0.00 0.00 175.10 174.64 2pq0 s VAL 71 N 1.03 3.10 -0.12 2.92 1.01 0.24 0.11 120.40 128.69 2pq0 s VAL 71 Ca -0.02 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2pq0 s VAL 71 Cb -0.14 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 34.01 2pq0 s VAL 71 CO -0.06 0.53 -0.12 0.12 0.00 0.00 0.00 175.10 175.57 2pq0 s PHE 72 N -0.80 1.83 -1.50 5.22 5.36 0.58 -0.31 117.98 128.36 2pq0 s PHE 72 Ca 0.13 -0.92 -0.03 0.00 -0.96 0.00 0.00 56.93 55.15 2pq0 s PHE 72 Cb -0.11 -1.38 0.02 0.00 -0.34 0.00 0.00 43.02 41.21 2pq0 s PHE 72 CO 0.02 -0.53 0.30 0.39 -1.46 0.00 0.00 175.22 173.94 2pq0 n GLU 73 N 4.59 -2.33 0.00 10.12 1.02 -1.04 -0.96 120.64 132.05 2pq0 n GLU 73 Ca -0.17 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2pq0 n GLU 73 Cb 0.50 -4.24 0.00 0.00 -0.02 0.00 0.00 31.44 27.68 2pq0 n GLU 73 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pq0 n GLY 74 N -2.12 2.77 3.50 0.62 0.00 -0.17 -5.02 105.19 104.77 2pq0 n GLY 74 Ca -0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 2pq0 n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pq0 s ASN 75 N -1.76 4.31 0.12 1.61 0.01 -0.14 -5.07 114.94 114.03 2pq0 s ASN 75 Ca 0.00 -0.14 -0.32 0.00 -0.71 0.00 0.00 52.86 51.69 2pq0 s ASN 75 Cb 0.00 -1.13 -0.12 0.00 0.41 0.00 0.00 41.25 40.41 2pq0 s ASN 75 CO 0.00 0.32 1.77 0.52 -1.51 0.00 0.00 177.10 178.20 2pq0 n VAL 76 N 2.51 0.25 -0.10 1.60 0.31 -1.26 -0.31 118.33 121.33 2pq0 n VAL 76 Ca -0.18 -0.04 -0.11 0.00 -0.01 0.00 0.00 64.34 64.00 2pq0 n VAL 76 Cb 0.53 -1.95 -0.13 0.00 -0.91 0.00 0.00 33.84 31.37 2pq0 n VAL 76 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2pq0 n LEU 77 N 4.98 0.95 -3.66 7.52 7.94 0.30 -4.84 117.00 130.19 2pq0 n LEU 77 Ca 0.18 -0.04 -0.11 0.00 -1.11 0.00 0.00 56.01 54.93 2pq0 n LEU 77 Cb 0.34 0.04 -0.08 0.00 0.53 0.00 0.00 43.42 44.26 2pq0 n LEU 77 CO 0.66 0.58 0.29 -0.47 -1.11 0.00 0.00 177.39 177.34 2pq0 s TYR 78 N -2.44 -0.82 -0.06 1.96 6.14 -0.90 -5.00 117.35 116.23 2pq0 s TYR 78 Ca -0.16 1.79 -0.03 0.00 0.64 0.00 0.00 57.07 59.31 2pq0 s TYR 78 Cb 0.06 0.40 0.03 0.00 0.42 0.00 0.00 41.96 42.87 2pq0 s TYR 78 CO 0.66 -0.41 0.14 -1.59 0.64 0.00 0.00 175.55 175.00 2pq0 s LYS 79 N 1.01 0.11 -0.37 4.97 -2.85 -1.26 -0.11 119.74 121.24 2pq0 s LYS 79 Ca -0.05 0.32 0.01 0.00 -1.00 0.00 0.00 55.97 55.24 2pq0 s LYS 79 Cb -0.05 -0.10 0.12 0.00 -2.06 0.00 0.00 37.83 35.73 2pq0 s LYS 79 CO -0.09 -0.12 0.17 -1.14 0.10 0.00 0.00 175.35 174.26 2pq0 s GLN 80 N 0.85 1.00 0.76 1.78 0.74 -0.16 -5.01 119.66 119.62 2pq0 s GLN 80 Ca -0.06 -1.56 -0.11 0.00 0.05 0.00 0.00 55.36 53.68 2pq0 s GLN 80 Cb -0.08 -2.15 0.05 0.00 1.10 0.00 0.00 33.01 31.93 2pq0 s GLN 80 CO -0.04 -1.08 1.09 -2.14 -0.55 0.00 0.00 175.29 172.56 2pq0 s PRO 81 N 0.96 2.35 0.47 1.67 0.02 -1.26 -4.78 135.00 134.42 2pq0 s PRO 81 Ca 0.14 1.16 -0.21 0.00 0.02 0.00 0.00 61.00 62.10 2pq0 s PRO 81 Cb -0.21 -1.91 -0.08 0.00 0.02 0.00 0.00 34.50 32.32 2pq0 s PRO 81 CO -0.11 -1.57 1.07 -0.51 -0.33 0.00 0.00 177.00 175.55 2pq0 s LEU 82 N -5.84 3.92 -0.13 -5.54 1.02 0.27 -4.95 118.68 107.44 2pq0 s LEU 82 Ca 0.61 2.03 -0.29 0.00 0.02 0.00 0.00 54.13 56.50 2pq0 s LEU 82 Cb -0.17 -4.44 -0.05 0.00 0.02 0.00 0.00 46.19 41.56 2pq0 s LEU 82 CO 0.55 -0.79 1.70 -0.13 0.02 0.00 0.00 176.35 177.71 2pq0 s ARG 83 N -3.00 3.94 0.21 1.70 0.52 -1.26 -4.69 118.95 116.37 2pq0 s ARG 83 Ca 0.65 2.00 -0.12 0.00 -0.52 0.00 0.00 55.73 57.74 2pq0 s ARG 83 Cb -0.20 -4.05 0.27 0.00 0.52 0.00 0.00 34.95 31.49 2pq0 s ARG 83 CO 0.24 -1.13 1.65 -0.09 0.02 0.00 0.00 175.30 176.00 2pq0 h ARG 84 N 10.51 0.07 -0.50 3.54 2.43 -1.92 0.35 114.38 128.86 2pq0 h ARG 84 Ca -0.38 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 58.89 2pq0 h ARG 84 Cb 1.18 -0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.61 2pq0 h ARG 84 CO 0.97 0.05 -0.25 1.49 -1.51 0.00 0.00 179.97 180.72 2pq0 h GLU 85 N 0.07 -0.13 -0.02 0.20 4.81 -1.98 0.80 114.58 118.34 2pq0 h GLU 85 Ca 0.31 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.41 2pq0 h GLU 85 Cb 0.50 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 2pq0 h GLU 85 CO -0.56 -0.08 -0.63 0.87 -0.73 0.00 0.00 179.01 177.88 2pq0 h LYS 86 N -0.13 0.07 -0.60 1.92 1.79 -1.67 -2.54 116.57 115.41 2pq0 h LYS 86 Ca 0.23 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.56 2pq0 h LYS 86 Cb 0.49 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 2pq0 h LYS 86 CO -0.58 0.67 0.03 0.28 -1.08 0.00 0.00 179.45 178.77 2pq0 h VAL 87 N 0.05 1.26 -0.06 0.50 2.07 0.13 -1.52 116.25 118.68 2pq0 h VAL 87 Ca -0.01 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 2pq0 h VAL 87 Cb 1.12 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2pq0 h VAL 87 CO 0.09 0.40 0.02 -0.09 0.02 0.00 0.00 177.57 178.00 2pq0 h ARG 88 N 0.94 0.09 -0.14 1.57 2.43 -0.73 -1.36 114.38 117.19 2pq0 h ARG 88 Ca 0.18 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2pq0 h ARG 88 Cb 0.51 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2pq0 h ARG 88 CO 0.02 0.27 0.09 0.00 -1.51 0.00 0.00 179.97 178.85 2pq0 h ALA 89 N 0.81 0.17 -0.60 2.80 0.00 -1.36 -0.97 119.26 120.11 2pq0 h ALA 89 Ca 0.02 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2pq0 h ALA 89 Cb 0.22 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2pq0 h ALA 89 CO -0.00 -0.34 0.35 1.25 0.00 0.00 0.00 179.25 180.51 2pq0 h LEU 90 N 0.18 0.54 -0.45 0.00 6.46 -1.27 0.64 115.31 121.41 2pq0 h LEU 90 Ca 0.05 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 2pq0 h LEU 90 Cb -0.02 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 39.80 2pq0 h LEU 90 CO -0.01 0.37 0.24 0.74 -0.62 0.00 0.00 178.44 179.15 2pq0 h THR 91 N 0.67 1.17 -0.38 1.05 2.02 -0.93 -2.49 112.91 114.01 2pq0 h THR 91 Ca 0.26 -0.45 -0.05 0.00 0.77 0.00 0.00 66.41 66.94 2pq0 h THR 91 Cb 0.09 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2pq0 h THR 91 CO -0.14 0.18 0.04 -0.33 0.37 0.00 0.00 175.52 175.64 2pq0 h GLU 92 N 0.59 0.65 0.00 6.66 5.08 -0.69 -1.53 114.58 125.34 2pq0 h GLU 92 Ca 0.16 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2pq0 h GLU 92 Cb 0.08 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2pq0 h GLU 92 CO -0.02 0.72 0.00 -1.91 -1.00 0.00 0.00 179.01 176.80 2pq0 n GLU 93 N -4.51 0.35 -0.01 2.33 2.13 0.17 -2.40 120.64 118.71 2pq0 n GLU 93 Ca -0.01 0.03 0.04 0.00 0.66 0.00 0.00 57.16 57.88 2pq0 n GLU 93 Cb 0.25 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.39 2pq0 n GLU 93 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2pq0 n ALA 94 N -1.05 2.28 0.10 4.31 0.00 -0.65 -4.11 120.51 121.41 2pq0 n ALA 94 Ca 0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 53.44 53.28 2pq0 n ALA 94 Cb 0.05 -0.27 0.05 0.00 0.00 0.00 0.00 19.45 19.28 2pq0 n ALA 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2pq0 h HIS 95 N 0.00 0.00 -0.74 0.00 -0.00 -1.00 0.79 115.15 114.19 2pq0 h HIS 95 Ca -0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.30 2pq0 h HIS 95 Cb 0.44 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.81 2pq0 h HIS 95 CO 0.00 0.78 0.23 -0.22 -0.00 0.00 0.00 177.93 178.72 2pq0 h LYS 96 N 0.00 1.15 -0.29 5.26 3.64 -1.72 -2.70 116.57 121.91 2pq0 h LYS 96 Ca -0.01 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2pq0 h LYS 96 Cb 1.38 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2pq0 h LYS 96 CO 0.10 0.98 0.00 0.09 -2.27 0.00 0.00 179.45 178.35 2pq0 n ASN 97 N -4.25 2.98 -0.49 4.20 3.02 -1.17 -4.94 115.26 114.61 2pq0 n ASN 97 Ca 0.06 -1.92 -0.06 0.00 -0.03 0.00 0.00 54.58 52.63 2pq0 n ASN 97 Cb 0.23 -0.18 -0.02 0.00 -0.61 0.00 0.00 39.78 39.20 2pq0 n ASN 97 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pq0 n GLY 98 N 1.40 0.71 3.40 7.41 0.00 -0.71 -5.00 105.19 112.40 2pq0 n GLY 98 Ca 0.18 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 2pq0 n GLY 98 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2pq0 s HIS 99 N -2.23 3.25 0.86 1.61 3.76 0.27 -4.99 115.29 117.81 2pq0 s HIS 99 Ca 0.00 -0.87 -0.13 0.00 -0.15 0.00 0.00 55.06 53.91 2pq0 s HIS 99 Cb 0.00 -2.64 0.12 0.00 1.11 0.00 0.00 32.58 31.18 2pq0 s HIS 99 CO 0.00 -0.66 1.22 -1.25 -0.85 0.00 0.00 174.74 173.20 2pq0 s PRO 100 N 1.60 1.51 0.16 8.40 0.04 -1.26 -4.17 135.00 141.29 2pq0 s PRO 100 Ca 0.03 -0.09 0.01 0.00 0.04 0.00 0.00 61.00 61.00 2pq0 s PRO 100 Cb -0.20 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2pq0 s PRO 100 CO 0.08 -1.87 0.00 -0.51 0.04 0.00 0.00 177.00 174.74 2pq0 s LEU 101 N -5.68 2.11 -0.08 -3.56 1.02 -1.26 -1.44 118.68 109.80 2pq0 s LEU 101 Ca 0.66 -1.16 0.02 0.00 0.02 0.00 0.00 54.13 53.67 2pq0 s LEU 101 Cb -0.08 -0.01 0.02 0.00 0.02 0.00 0.00 46.19 46.13 2pq0 s LEU 101 CO 0.50 -0.58 -0.12 -0.69 0.02 0.00 0.00 176.35 175.49 2pq0 s VAL 102 N -3.71 1.14 0.55 -1.59 1.01 -0.29 -0.66 120.40 116.84 2pq0 s VAL 102 Ca 0.23 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 61.83 2pq0 s VAL 102 Cb 0.06 -1.06 0.07 0.00 0.00 0.00 0.00 36.38 35.45 2pq0 s VAL 102 CO 0.03 0.36 0.76 -0.36 0.00 0.00 0.00 175.10 175.89 2pq0 s PHE 103 N 0.89 1.84 0.00 5.22 0.08 0.19 -0.58 117.98 125.62 2pq0 s PHE 103 Ca -0.10 -0.57 0.00 0.00 0.12 0.00 0.00 56.93 56.38 2pq0 s PHE 103 Cb -0.15 -2.35 0.00 0.00 -0.57 0.00 0.00 43.02 39.95 2pq0 s PHE 103 CO 0.01 -1.01 0.00 -0.40 -0.10 0.00 0.00 175.22 173.72 2pq0 n ASP 105 N -2.21 0.00 0.01 1.36 5.68 0.19 -0.12 116.55 121.45 2pq0 n ASP 105 Ca 0.13 -0.80 -0.04 0.00 -0.50 0.00 0.00 54.79 53.58 2pq0 n ASP 105 Cb 0.61 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.76 2pq0 n ASP 105 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2pq0 h ALA 106 N 2.00 1.04 0.16 2.12 0.00 -2.00 -3.33 119.26 119.25 2pq0 h ALA 106 Ca 0.00 -0.36 -0.36 0.00 0.00 0.00 0.00 54.91 54.19 2pq0 h ALA 106 Cb 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2pq0 h ALA 106 CO 0.00 0.58 -1.86 0.93 0.00 0.00 0.00 179.25 178.90 2pq0 h GLU 107 N 0.44 0.33 0.00 0.00 3.07 -1.99 -3.17 114.58 113.26 2pq0 h GLU 107 Ca 0.06 -0.57 0.00 0.00 -0.50 0.00 0.00 59.36 58.35 2pq0 h GLU 107 Cb 0.72 0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.84 2pq0 h GLU 107 CO 0.05 1.26 0.00 0.36 -1.40 0.00 0.00 179.01 179.29 2pq0 n LYS 108 N -3.54 0.00 -3.61 2.33 2.85 -1.25 -4.76 118.16 110.18 2pq0 n LYS 108 Ca -0.28 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 56.89 2pq0 n LYS 108 Cb 1.06 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 35.38 2pq0 n LYS 108 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2pq0 s ARG 110 N 4.75 0.52 -0.01 -1.58 1.81 0.82 -0.64 118.95 124.62 2pq0 s ARG 110 Ca 0.00 0.32 -0.06 0.00 -1.72 0.00 0.00 55.73 54.27 2pq0 s ARG 110 Cb 0.00 0.25 -0.05 0.00 -0.45 0.00 0.00 34.95 34.70 2pq0 s ARG 110 CO 0.00 -0.12 0.25 0.00 -0.68 0.00 0.00 175.30 174.74 2pq0 s ALA 111 N -0.51 3.86 0.16 2.13 0.00 -0.82 0.56 121.76 127.15 2pq0 s ALA 111 Ca 0.01 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.40 2pq0 s ALA 111 Cb -0.03 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.03 2pq0 s ALA 111 CO -0.03 0.65 1.37 0.66 0.00 0.00 0.00 175.76 178.41 2pq0 h SER 112 N 4.12 0.22 -4.29 0.00 4.64 -1.10 0.16 113.55 117.31 2pq0 h SER 112 Ca -0.51 -0.19 -0.62 0.00 -0.47 0.00 0.00 61.79 60.01 2pq0 h SER 112 Cb 1.20 -0.07 -0.30 0.00 -0.31 0.00 0.00 62.40 62.92 2pq0 h SER 112 CO 0.65 1.00 -0.86 -0.63 -0.87 0.00 0.00 176.83 176.13 2pq0 s ILE 113 N -3.15 1.71 0.57 0.95 -1.09 -1.26 -4.23 121.20 114.69 2pq0 s ILE 113 Ca -0.02 -0.91 -0.07 0.00 -2.23 0.00 0.00 60.65 57.42 2pq0 s ILE 113 Cb 0.10 -1.43 -0.01 0.00 -1.58 0.00 0.00 42.46 39.54 2pq0 s ILE 113 CO 0.83 0.48 0.89 -0.83 -1.23 0.00 0.00 174.94 175.08 2pq0 s GLY 114 N -0.35 1.58 -0.41 6.18 0.00 -1.26 -4.29 107.32 108.76 2pq0 s GLY 114 Ca 0.04 -0.53 -0.05 0.00 0.00 0.00 0.00 44.72 44.18 2pq0 s GLY 114 CO 0.00 -0.28 0.12 1.34 0.00 0.00 0.00 173.10 174.29 2pq0 n ASP 115 N -2.53 -1.29 -4.70 1.64 2.03 -1.26 -4.89 116.55 105.54 2pq0 n ASP 115 Ca 0.04 0.14 -0.42 0.00 0.52 0.00 0.00 54.79 55.06 2pq0 n ASP 115 Cb 0.56 -1.22 -0.03 0.00 -0.72 0.00 0.00 41.12 39.71 2pq0 n ASP 115 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2pq0 s HIS 116 N -2.27 3.56 0.42 -0.67 2.46 -1.26 -4.95 115.29 112.57 2pq0 s HIS 116 Ca 0.17 1.60 0.12 0.00 0.47 0.00 0.00 55.06 57.41 2pq0 s HIS 116 Cb -0.10 -3.19 0.97 0.00 -0.13 0.00 0.00 32.58 30.13 2pq0 s HIS 116 CO 0.21 -0.28 2.00 -1.00 -2.47 0.00 0.00 174.74 173.19 2pq0 h PRO 117 N 6.95 0.45 -0.27 2.88 0.13 -1.98 -2.02 132.00 138.14 2pq0 h PRO 117 Ca -0.37 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 64.56 2pq0 h PRO 117 Cb 1.19 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 2pq0 h PRO 117 CO 0.80 0.30 -0.51 0.45 -0.23 0.00 0.00 178.00 178.81 2pq0 h HIS 118 N 0.47 0.95 0.24 1.56 3.86 -1.94 -2.42 115.15 117.87 2pq0 h HIS 118 Ca 0.25 -0.32 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 2pq0 h HIS 118 Cb 0.36 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.65 2pq0 h HIS 118 CO -0.00 1.11 -0.12 0.82 0.86 0.00 0.00 177.93 180.61 2pq0 h ILE 119 N 0.60 0.82 -0.57 2.45 2.04 -1.80 -1.69 117.51 119.35 2pq0 h ILE 119 Ca 0.02 -0.46 0.11 0.00 1.00 0.00 0.00 64.86 65.54 2pq0 h ILE 119 Cb 1.09 1.08 -0.11 0.00 -0.74 0.00 0.00 36.82 38.14 2pq0 h ILE 119 CO 0.11 0.10 -0.20 0.45 0.00 0.00 0.00 178.15 178.61 2pq0 h HIS 120 N -0.56 -0.48 0.14 1.37 3.86 -1.39 -2.92 115.15 115.17 2pq0 h HIS 120 Ca -0.03 0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2pq0 h HIS 120 Cb 0.41 0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.18 2pq0 h HIS 120 CO 0.00 -0.30 -0.07 0.28 0.86 0.00 0.00 177.93 178.71 2pq0 h VAL 121 N -0.06 0.98 0.00 2.45 2.07 -1.39 -1.91 116.25 118.39 2pq0 h VAL 121 Ca 0.27 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2pq0 h VAL 121 Cb 0.47 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2pq0 h VAL 121 CO -0.62 0.14 0.00 -1.54 0.02 0.00 0.00 177.57 175.57 2pq0 n SER 122 N -5.05 1.23 0.00 0.57 3.41 -0.64 -2.81 113.62 110.33 2pq0 n SER 122 Ca -0.09 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 2pq0 n SER 122 Cb 0.20 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 2pq0 n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pq0 n ALA 124 N 0.74 0.00 0.28 7.33 0.00 -0.72 -3.54 120.51 124.60 2pq0 n ALA 124 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 2pq0 n ALA 124 Cb 0.21 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.43 2pq0 n ALA 124 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2pq0 h SER 125 N 0.00 0.00 -0.09 0.00 4.64 -1.79 0.26 113.55 116.57 2pq0 h SER 125 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pq0 h SER 125 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2pq0 h SER 125 CO 0.00 0.06 0.00 0.18 -0.87 0.00 0.00 176.83 176.20 2pq0 n LEU 126 N -3.27 2.08 -2.15 5.97 4.32 -1.23 -4.93 117.00 117.79 2pq0 n LEU 126 Ca -0.01 -0.76 -0.14 0.00 -0.02 0.00 0.00 56.01 55.09 2pq0 n LEU 126 Cb 0.26 -0.05 0.04 0.00 -1.62 0.00 0.00 43.42 42.05 2pq0 n LEU 126 CO 0.27 0.38 0.09 0.29 -1.22 0.00 0.00 177.39 177.20 2pq0 n LYS 127 N 0.62 -4.03 -4.35 3.23 4.76 0.91 -5.04 118.16 114.25 2pq0 n LYS 127 Ca 0.17 0.50 -0.24 0.00 -2.87 0.00 0.00 58.31 55.87 2pq0 n LYS 127 Cb 0.43 -4.53 -0.12 0.00 -1.84 0.00 0.00 35.03 28.97 2pq0 n LYS 127 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2pq0 s PHE 128 N -3.09 1.99 0.69 2.13 0.40 -1.26 -4.98 117.98 113.87 2pq0 s PHE 128 Ca 0.28 -0.42 -0.08 0.00 -0.60 0.00 0.00 56.93 56.12 2pq0 s PHE 128 Cb -0.13 -1.02 0.05 0.00 0.51 0.00 0.00 43.02 42.43 2pq0 s PHE 128 CO 0.35 0.35 1.02 0.00 0.70 0.00 0.00 175.22 177.64 2pq0 s ALA 129 N -1.64 3.10 0.14 5.36 0.00 -1.26 -3.11 121.76 124.36 2pq0 s ALA 129 Ca 0.15 -0.78 -0.31 0.00 0.00 0.00 0.00 51.96 51.02 2pq0 s ALA 129 Cb -0.08 -2.69 -0.10 0.00 0.00 0.00 0.00 23.12 20.25 2pq0 s ALA 129 CO 0.07 -1.21 1.71 -1.58 0.00 0.00 0.00 175.76 174.75 2pq0 s HIS 130 N -3.24 2.57 0.76 0.00 2.46 -1.26 -4.91 115.29 111.67 2pq0 s HIS 130 Ca 0.59 0.27 -0.15 0.00 0.47 0.00 0.00 55.06 56.24 2pq0 s HIS 130 Cb -0.11 -4.07 0.06 0.00 -0.13 0.00 0.00 32.58 28.33 2pq0 s HIS 130 CO 0.46 -4.22 1.23 -2.14 -2.47 0.00 0.00 174.74 167.60 2pq0 s PRO 131 N 2.03 1.91 0.35 2.88 0.02 -1.26 -4.93 135.00 136.00 2pq0 s PRO 131 Ca 0.76 1.82 -0.28 0.00 0.02 0.00 0.00 61.00 63.32 2pq0 s PRO 131 Cb -0.45 -1.80 -0.10 0.00 0.02 0.00 0.00 34.50 32.17 2pq0 s PRO 131 CO 0.33 -2.02 1.37 -2.14 -0.33 0.00 0.00 177.00 174.21 2pq0 s PRO 132 N -3.94 4.25 -0.16 5.54 0.02 -1.26 -4.46 135.00 135.00 2pq0 s PRO 132 Ca 0.75 2.33 -0.24 0.00 0.02 0.00 0.00 61.00 63.86 2pq0 s PRO 132 Cb -0.31 -3.02 -0.02 0.00 0.02 0.00 0.00 34.50 31.17 2pq0 s PRO 132 CO 0.47 -0.32 0.78 0.54 -0.33 0.00 0.00 177.00 178.15 2pq0 s VAL 133 N -1.14 4.93 -0.28 3.83 0.11 -1.26 -1.94 120.40 124.65 2pq0 s VAL 133 Ca 0.51 1.54 0.02 0.00 -2.93 0.00 0.00 61.98 61.11 2pq0 s VAL 133 Cb -0.42 -4.09 0.16 0.00 -1.53 0.00 0.00 36.38 30.50 2pq0 s VAL 133 CO 0.56 0.07 0.43 -0.62 -3.33 0.00 0.00 175.10 172.21 2pq0 s ASP 134 N 1.11 0.12 0.53 3.54 -1.08 0.58 -4.90 116.67 116.57 2pq0 s ASP 134 Ca 0.37 -0.20 0.34 0.00 -0.52 0.00 0.00 52.55 52.54 2pq0 s ASP 134 Cb -0.17 1.23 1.54 0.00 -1.46 0.00 0.00 42.92 44.06 2pq0 s ASP 134 CO 0.13 -0.34 2.02 -0.65 0.52 0.00 0.00 175.17 176.85 2pq0 h PRO 135 N 8.14 0.00 -0.11 4.34 0.11 -1.74 -3.15 132.00 139.59 2pq0 h PRO 135 Ca -0.10 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 2pq0 h PRO 135 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2pq0 h PRO 135 CO 0.25 0.00 -0.09 1.28 -0.21 0.00 0.00 178.00 179.23 2pq0 n LEU 136 N -2.95 3.03 -0.17 2.35 4.77 -1.26 -4.74 117.00 118.03 2pq0 n LEU 136 Ca -0.00 -3.30 0.03 0.00 -0.03 0.00 0.00 56.01 52.70 2pq0 n LEU 136 Cb 0.24 -0.50 0.30 0.00 -2.33 0.00 0.00 43.42 41.13 2pq0 n LEU 136 CO 0.24 0.89 1.22 0.22 -1.33 0.00 0.00 177.39 178.63 2pq0 h TYR 137 N 0.75 0.82 0.00 -1.77 5.03 -1.95 -2.01 116.97 117.84 2pq0 h TYR 137 Ca 0.03 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.36 2pq0 h TYR 137 Cb 1.20 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 39.20 2pq0 h TYR 137 CO 0.39 0.50 0.00 0.10 -1.32 0.00 0.00 178.16 177.83 2pq0 h TYR 138 N 0.87 0.00 -0.08 -3.82 -0.00 -1.85 -2.45 116.97 109.64 2pq0 h TYR 138 Ca 0.26 0.00 -0.13 0.00 -0.00 0.00 0.00 58.73 58.87 2pq0 h TYR 138 Cb -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.70 2pq0 h TYR 138 CO -0.00 0.00 -0.51 0.93 -0.00 0.00 0.00 178.16 178.58 2pq0 h GLU 139 N 0.00 0.23 -0.00 0.10 4.39 -1.72 -3.33 114.58 114.24 2pq0 h GLU 139 Ca 0.00 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.57 2pq0 h GLU 139 Cb 0.41 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2pq0 h GLU 139 CO 0.00 0.68 -0.29 0.27 -1.16 0.00 0.00 179.01 178.52 2pq0 n ASN 140 N -3.95 0.57 -4.30 1.42 0.23 -1.17 -5.02 115.26 103.04 2pq0 n ASN 140 Ca -0.02 -0.78 -0.24 0.00 -0.53 0.00 0.00 54.58 53.01 2pq0 n ASN 140 Cb 0.55 0.83 -0.12 0.00 -2.08 0.00 0.00 39.78 38.96 2pq0 n ASN 140 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2pq0 s LYS 141 N -1.52 1.18 0.08 -3.83 -0.14 -0.93 -5.12 119.74 109.46 2pq0 s LYS 141 Ca 0.04 -1.23 -0.30 0.00 -1.36 0.00 0.00 55.97 53.12 2pq0 s LYS 141 Cb 0.06 -1.41 -0.06 0.00 -1.68 0.00 0.00 37.83 34.74 2pq0 s LYS 141 CO 0.27 0.32 1.09 -0.51 -0.76 0.00 0.00 175.35 175.76 2pq0 s ASP 142 N -2.09 7.25 -0.13 2.83 1.01 -1.26 -4.58 116.67 119.70 2pq0 s ASP 142 Ca 0.09 1.92 -0.01 0.00 0.71 0.00 0.00 52.55 55.26 2pq0 s ASP 142 Cb -0.09 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.23 2pq0 s ASP 142 CO 0.05 -0.30 -0.10 -0.63 0.21 0.00 0.00 175.17 174.40 2pq0 s ILE 143 N 0.57 3.38 -0.10 0.77 -1.09 -1.26 -4.58 121.20 118.89 2pq0 s ILE 143 Ca 0.53 -0.55 0.21 0.00 -2.23 0.00 0.00 60.65 58.61 2pq0 s ILE 143 Cb -0.27 -2.44 -0.31 0.00 -1.58 0.00 0.00 42.46 37.87 2pq0 s ILE 143 CO 0.31 0.52 0.48 -1.22 -1.23 0.00 0.00 174.94 173.80 2pq0 n TYR 144 N 3.37 0.00 -3.49 3.97 4.02 -1.26 0.98 117.16 124.74 2pq0 n TYR 144 Ca -0.18 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.58 2pq0 n TYR 144 Cb 0.53 -0.43 -0.04 0.00 -0.02 0.00 0.00 39.34 39.38 2pq0 n TYR 144 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 2pq0 s GLN 145 N -3.38 1.02 0.18 -0.72 0.74 -1.26 -4.62 119.66 111.63 2pq0 s GLN 145 Ca -0.06 -0.08 -0.01 0.00 0.05 0.00 0.00 55.36 55.26 2pq0 s GLN 145 Cb 0.13 0.48 -0.04 0.00 1.10 0.00 0.00 33.01 34.68 2pq0 s GLN 145 CO 0.85 -0.39 0.10 0.00 -0.55 0.00 0.00 175.29 175.30 2pq0 s ALA 146 N -2.30 1.13 -0.08 1.58 0.00 -0.90 -4.71 121.76 116.48 2pq0 s ALA 146 Ca -0.03 -1.64 0.03 0.00 0.00 0.00 0.00 51.96 50.31 2pq0 s ALA 146 Cb -0.01 1.17 0.01 0.00 0.00 0.00 0.00 23.12 24.30 2pq0 s ALA 146 CO -0.02 -0.54 -0.17 -0.51 0.00 0.00 0.00 175.76 174.53 2pq0 s LEU 147 N -3.14 1.82 -0.20 0.00 1.43 0.25 -0.33 118.68 118.51 2pq0 s LEU 147 Ca 0.34 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 52.98 2pq0 s LEU 147 Cb 0.07 -1.05 -0.03 0.00 0.03 0.00 0.00 46.19 45.21 2pq0 s LEU 147 CO 0.09 0.08 0.01 -0.22 0.23 0.00 0.00 176.35 176.54 2pq0 s LEU 148 N 0.53 3.35 -0.46 1.79 2.96 -0.19 -1.14 118.68 125.51 2pq0 s LEU 148 Ca -0.16 -0.15 -0.13 0.00 -0.22 0.00 0.00 54.13 53.46 2pq0 s LEU 148 Cb -0.17 -1.85 0.08 0.00 0.50 0.00 0.00 46.19 44.76 2pq0 s LEU 148 CO 0.06 0.08 0.36 -0.36 -1.32 0.00 0.00 176.35 175.17 2pq0 s PHE 149 N 0.89 3.28 0.09 5.38 0.40 -0.52 -0.75 117.98 126.75 2pq0 s PHE 149 Ca 0.01 -1.20 -0.26 0.00 -0.60 0.00 0.00 56.93 54.88 2pq0 s PHE 149 Cb -0.14 -3.18 0.08 0.00 0.51 0.00 0.00 43.02 40.28 2pq0 s PHE 149 CO 0.02 -0.84 0.89 0.00 0.70 0.00 0.00 175.22 175.98 2pq0 s ARG 151 N -3.28 3.03 0.51 0.00 1.81 -1.26 -3.77 118.95 115.99 2pq0 s ARG 151 Ca 0.08 0.67 0.21 0.00 -1.72 0.00 0.00 55.73 54.97 2pq0 s ARG 151 Cb -0.01 -2.02 1.32 0.00 -0.45 0.00 0.00 34.95 33.78 2pq0 s ARG 151 CO -0.04 -0.96 2.09 0.00 -0.68 0.00 0.00 175.30 175.71 2pq0 h ALA 152 N -0.60 1.59 0.00 2.13 0.00 -1.93 -1.22 119.26 119.23 2pq0 h ALA 152 Ca -0.45 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2pq0 h ALA 152 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2pq0 h ALA 152 CO 0.61 0.13 0.00 0.39 0.00 0.00 0.00 179.25 180.39 2pq0 n GLU 153 N -4.08 0.55 0.00 0.00 4.71 -1.26 -3.20 120.64 117.36 2pq0 n GLU 153 Ca -0.02 0.03 0.03 0.00 -0.01 0.00 0.00 57.16 57.18 2pq0 n GLU 153 Cb 0.19 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.10 2pq0 n GLU 153 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2pq0 n GLU 154 N -1.17 4.04 0.04 3.49 1.02 -0.47 -4.76 120.64 122.84 2pq0 n GLU 154 Ca 0.15 -0.19 -0.07 0.00 -0.02 0.00 0.00 57.16 57.03 2pq0 n GLU 154 Cb 0.15 -0.83 0.11 0.00 -0.02 0.00 0.00 31.44 30.86 2pq0 n GLU 154 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2pq0 h GLU 155 N 0.26 0.43 -0.84 3.49 4.11 -1.50 -3.38 114.58 117.16 2pq0 h GLU 155 Ca 0.00 -0.25 0.09 0.00 0.07 0.00 0.00 59.36 59.27 2pq0 h GLU 155 Cb 0.15 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.31 2pq0 h GLU 155 CO 0.00 0.83 -0.44 -1.91 0.07 0.00 0.00 179.01 177.56 2pq0 n GLU 156 N -3.97 -0.31 -0.22 1.06 2.13 -1.26 -0.56 120.64 117.51 2pq0 n GLU 156 Ca -0.02 1.27 0.02 0.00 0.66 0.00 0.00 57.16 59.08 2pq0 n GLU 156 Cb 0.56 -1.87 0.11 0.00 0.27 0.00 0.00 31.44 30.51 2pq0 n GLU 156 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 2pq0 h PRO 157 N 0.00 0.08 0.11 5.31 0.11 -1.96 0.18 132.00 135.83 2pq0 h PRO 157 Ca 0.18 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 2pq0 h PRO 157 Cb 0.39 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.49 2pq0 h PRO 157 CO -0.80 0.05 -0.05 1.88 -0.21 0.00 0.00 178.00 178.87 2pq0 h TYR 158 N 0.08 -0.13 -0.39 0.65 0.05 -1.07 0.49 116.97 116.65 2pq0 h TYR 158 Ca 0.34 -0.00 0.08 0.00 0.05 0.00 0.00 58.73 59.20 2pq0 h TYR 158 Cb 0.56 0.04 -0.07 0.00 1.01 0.00 0.00 36.73 38.28 2pq0 h TYR 158 CO -0.42 -0.03 -0.09 0.28 -1.05 0.00 0.00 178.16 176.86 2pq0 h VAL 159 N -0.20 0.62 -0.17 -2.88 2.07 -0.03 -0.51 116.25 115.15 2pq0 h VAL 159 Ca -0.01 -0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.37 2pq0 h VAL 159 Cb 0.16 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2pq0 h VAL 159 CO 0.02 0.00 -0.39 0.03 0.02 0.00 0.00 177.57 177.25 2pq0 h ARG 160 N 0.01 0.56 0.00 1.57 3.08 -0.48 -3.25 114.38 115.87 2pq0 h ARG 160 Ca 0.19 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.86 2pq0 h ARG 160 Cb 0.29 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2pq0 h ARG 160 CO -0.40 1.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.59 2pq0 n ASN 161 N -4.28 0.00 -3.27 7.04 3.02 0.17 -4.17 115.26 113.77 2pq0 n ASN 161 Ca -0.06 0.47 -0.25 0.00 -0.03 0.00 0.00 54.58 54.70 2pq0 n ASN 161 Cb 0.53 -0.49 -0.07 0.00 -0.61 0.00 0.00 39.78 39.14 2pq0 n ASN 161 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2pq0 n TYR 162 N -1.49 0.88 0.45 3.10 4.01 -0.22 -4.92 117.16 118.98 2pq0 n TYR 162 Ca 0.06 -3.74 0.06 0.00 -0.16 0.00 0.00 57.90 54.11 2pq0 n TYR 162 Cb 0.26 -0.40 0.27 0.00 -0.31 0.00 0.00 39.34 39.15 2pq0 n TYR 162 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2pq0 n PRO 163 N 1.27 0.04 0.00 -0.72 -0.04 -1.26 -1.78 135.00 132.51 2pq0 n PRO 163 Ca 0.24 0.27 0.14 0.00 -0.04 0.00 0.00 63.50 64.10 2pq0 n PRO 163 Cb 0.49 -1.50 0.58 0.00 -0.04 0.00 0.00 33.50 33.03 2pq0 n PRO 163 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2pq0 n GLU 164 N -1.45 0.08 -4.46 0.54 0.00 -1.26 -4.69 120.64 109.40 2pq0 n GLU 164 Ca 0.04 -0.01 -0.25 0.00 0.00 0.00 0.00 57.16 56.94 2pq0 n GLU 164 Cb 0.13 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 29.97 2pq0 n GLU 164 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2pq0 s PHE 165 N -2.93 2.41 -0.13 -1.84 0.08 -0.74 -1.57 117.98 113.27 2pq0 s PHE 165 Ca 0.16 -0.39 -0.00 0.00 0.12 0.00 0.00 56.93 56.82 2pq0 s PHE 165 Cb 0.19 -1.22 0.02 0.00 -0.57 0.00 0.00 43.02 41.45 2pq0 s PHE 165 CO 0.55 0.63 -0.11 0.50 -0.10 0.00 0.00 175.22 176.69 2pq0 s ARG 166 N -3.59 1.89 -0.32 0.44 6.06 0.64 -4.49 118.95 119.58 2pq0 s ARG 166 Ca 0.32 -0.40 -0.15 0.00 -2.50 0.00 0.00 55.73 53.00 2pq0 s ARG 166 Cb -0.02 -1.83 -0.02 0.00 0.06 0.00 0.00 34.95 33.14 2pq0 s ARG 166 CO 0.17 -0.25 0.35 -0.06 -2.50 0.00 0.00 175.30 173.01 2pq0 s PHE 167 N 1.59 3.22 -0.25 5.12 0.40 -1.26 -2.12 117.98 124.68 2pq0 s PHE 167 Ca 0.05 0.06 0.02 0.00 -0.60 0.00 0.00 56.93 56.46 2pq0 s PHE 167 Cb -0.13 -2.62 0.05 0.00 0.51 0.00 0.00 43.02 40.83 2pq0 s PHE 167 CO -0.09 -0.37 -0.11 0.08 0.70 0.00 0.00 175.22 175.43 2pq0 s VAL 168 N 2.00 2.25 0.17 -0.44 1.01 -0.70 -4.92 120.40 119.76 2pq0 s VAL 168 Ca 0.12 -1.51 -0.30 0.00 0.00 0.00 0.00 61.98 60.29 2pq0 s VAL 168 Cb -0.16 -2.27 -0.07 0.00 0.00 0.00 0.00 36.38 33.87 2pq0 s VAL 168 CO 0.11 0.05 1.10 -0.60 0.00 0.00 0.00 175.10 175.75 2pq0 s ARG 169 N 1.14 4.59 0.00 2.72 3.52 -1.26 -0.54 118.95 129.13 2pq0 s ARG 169 Ca -0.07 1.70 0.00 0.00 -0.13 0.00 0.00 55.73 57.24 2pq0 s ARG 169 Cb -0.19 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 29.91 2pq0 s ARG 169 CO -0.06 0.07 0.03 -2.67 -0.81 0.00 0.00 175.30 171.87 2pq0 n TRP 170 N 2.46 0.00 -4.05 5.12 4.27 -1.19 -4.95 117.44 119.10 2pq0 n TRP 170 Ca 0.03 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.54 2pq0 n TRP 170 Cb 0.46 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.34 2pq0 n TRP 170 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 2pq0 s HIS 171 N -0.43 0.64 0.23 -2.67 5.04 -1.08 -5.03 115.29 111.99 2pq0 s HIS 171 Ca 0.00 -0.97 -0.05 0.00 -1.54 0.00 0.00 55.06 52.50 2pq0 s HIS 171 Cb 0.00 -0.19 0.24 0.00 0.04 0.00 0.00 32.58 32.67 2pq0 s HIS 171 CO 0.00 -0.73 1.75 -0.44 -2.34 0.00 0.00 174.74 172.98 2pq0 h ASP 172 N 2.55 0.91 -0.09 9.88 3.45 -1.98 -3.28 116.42 127.87 2pq0 h ASP 172 Ca -0.32 -0.20 0.00 0.00 0.43 0.00 0.00 57.03 56.94 2pq0 h ASP 172 Cb 1.23 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.76 2pq0 h ASP 172 CO 0.48 0.92 0.00 1.33 -1.57 0.00 0.00 179.24 180.40 2pq0 n VAL 173 N -4.23 1.99 -3.74 -1.35 0.24 -1.26 -4.13 118.33 105.85 2pq0 n VAL 173 Ca 0.04 -2.10 -0.13 0.00 -2.04 0.00 0.00 64.34 60.11 2pq0 n VAL 173 Cb 0.28 -0.22 -0.11 0.00 -1.47 0.00 0.00 33.84 32.32 2pq0 n VAL 173 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2pq0 s SER 174 N -2.51 -0.38 0.04 -1.34 0.15 -1.24 -1.93 113.70 106.50 2pq0 s SER 174 Ca 0.35 0.71 0.03 0.00 0.70 0.00 0.00 55.95 57.74 2pq0 s SER 174 Cb 0.29 0.69 -0.02 0.00 -1.71 0.00 0.00 66.02 65.27 2pq0 s SER 174 CO 0.05 -0.13 -0.09 0.28 1.20 0.00 0.00 173.24 174.55 2pq0 s THR 175 N 0.44 0.67 0.36 6.45 -1.32 0.07 -2.64 115.64 119.67 2pq0 s THR 175 Ca -0.02 -0.93 -0.25 0.00 -1.21 0.00 0.00 61.69 59.28 2pq0 s THR 175 Cb -0.04 -0.67 -0.10 0.00 -1.51 0.00 0.00 72.50 70.18 2pq0 s THR 175 CO -0.02 -0.21 0.96 -1.81 -2.21 0.00 0.00 174.62 171.32 2pq0 s ASP 176 N -1.26 7.16 -0.34 8.08 1.01 0.30 -1.02 116.67 130.60 2pq0 s ASP 176 Ca -0.05 1.83 0.02 0.00 0.71 0.00 0.00 52.55 55.05 2pq0 s ASP 176 Cb -0.08 -2.57 0.09 0.00 1.01 0.00 0.00 42.92 41.37 2pq0 s ASP 176 CO 0.01 -0.20 0.05 -0.69 0.21 0.00 0.00 175.17 174.55 2pq0 s VAL 177 N -1.76 2.56 0.37 -1.27 1.01 0.55 -1.73 120.40 120.12 2pq0 s VAL 177 Ca 0.54 -2.06 0.08 0.00 0.00 0.00 0.00 61.98 60.54 2pq0 s VAL 177 Cb -0.17 -2.75 -0.06 0.00 0.00 0.00 0.00 36.38 33.41 2pq0 s VAL 177 CO 0.22 -0.47 0.04 -0.76 0.00 0.00 0.00 175.10 174.13 2pq0 s LEU 178 N 1.02 2.98 0.29 3.92 1.43 -0.90 -2.12 118.68 125.31 2pq0 s LEU 178 Ca 0.05 -1.08 -0.28 0.00 -1.03 0.00 0.00 54.13 51.80 2pq0 s LEU 178 Cb -0.20 -1.28 -0.09 0.00 0.03 0.00 0.00 46.19 44.64 2pq0 s LEU 178 CO -0.06 -0.33 0.96 -2.16 0.23 0.00 0.00 176.35 174.99 2pq0 s PRO 179 N -3.75 4.67 0.22 1.29 0.04 -1.26 -0.26 135.00 135.95 2pq0 s PRO 179 Ca 0.36 1.43 -0.32 0.00 0.04 0.00 0.00 61.00 62.51 2pq0 s PRO 179 Cb 0.02 -2.99 -0.13 0.00 0.04 0.00 0.00 34.50 31.44 2pq0 s PRO 179 CO 0.20 0.35 1.55 0.00 0.04 0.00 0.00 177.00 179.13 2pq0 n ALA 180 N 0.92 1.71 0.00 8.56 0.00 -0.61 -0.90 120.51 130.20 2pq0 n ALA 180 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2pq0 n ALA 180 Cb 0.49 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.56 2pq0 n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pq0 n GLY 181 N 2.84 2.57 3.81 0.00 0.00 -1.26 -4.98 105.19 108.17 2pq0 n GLY 181 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 2pq0 n GLY 181 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pq0 s GLY 182 N -2.67 2.69 -0.08 -0.02 0.00 -0.08 -4.96 107.32 102.20 2pq0 s GLY 182 Ca 0.00 0.06 -0.30 0.00 0.00 0.00 0.00 44.72 44.48 2pq0 s GLY 182 CO 0.00 0.51 0.85 -1.35 0.00 0.00 0.00 173.10 173.11 2pq0 s SER 183 N -1.06 -0.47 0.48 1.64 1.04 -0.40 -4.88 113.70 110.05 2pq0 s SER 183 Ca 0.30 0.40 0.20 0.00 0.48 0.00 0.00 55.95 57.33 2pq0 s SER 183 Cb -0.20 0.41 1.22 0.00 0.10 0.00 0.00 66.02 67.55 2pq0 s SER 183 CO 0.19 -0.52 2.04 0.07 0.98 0.00 0.00 173.24 176.01 2pq0 h LYS 184 N 2.56 0.00 -0.42 4.02 2.10 -1.82 0.12 116.57 123.13 2pq0 h LYS 184 Ca -0.23 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.37 2pq0 h LYS 184 Cb 1.18 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.49 2pq0 h LYS 184 CO 0.34 0.15 0.04 0.00 -2.00 0.00 0.00 179.45 177.97 2pq0 h ALA 185 N 1.85 1.28 -0.27 0.07 0.00 -1.92 0.19 119.26 120.45 2pq0 h ALA 185 Ca -0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 2pq0 h ALA 185 Cb 0.30 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2pq0 h ALA 185 CO 0.02 0.49 -0.37 1.49 0.00 0.00 0.00 179.25 180.87 2pq0 h GLU 186 N 0.63 0.62 -0.63 0.00 4.57 -1.37 -1.51 114.58 116.89 2pq0 h GLU 186 Ca 0.13 -0.30 -0.07 0.00 -1.18 0.00 0.00 59.36 57.94 2pq0 h GLU 186 Cb 0.34 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 2pq0 h GLU 186 CO 0.01 0.90 0.11 0.78 -1.18 0.00 0.00 179.01 179.63 2pq0 h GLY 187 N 1.02 1.11 1.40 1.92 0.00 -0.04 -2.32 103.07 106.15 2pq0 h GLY 187 Ca 0.05 -0.71 -0.05 0.00 0.00 0.00 0.00 47.33 46.62 2pq0 h GLY 187 CO 0.08 0.66 0.12 -2.22 0.00 0.00 0.00 176.54 175.18 2pq0 h ILE 188 N 0.97 1.21 -0.10 2.60 2.04 -0.20 -3.43 117.51 120.60 2pq0 h ILE 188 Ca 0.20 -0.76 -0.45 0.00 1.00 0.00 0.00 64.86 64.85 2pq0 h ILE 188 Cb 0.40 0.70 0.06 0.00 -0.74 0.00 0.00 36.82 37.24 2pq0 h ILE 188 CO 0.01 0.28 1.30 -1.14 0.00 0.00 0.00 178.15 178.61 2pq0 n ARG 189 N -4.29 0.71 0.00 2.37 0.63 -0.61 -4.58 116.66 110.89 2pq0 n ARG 189 Ca 0.04 -1.63 0.00 0.00 -0.92 0.00 0.00 57.85 55.33 2pq0 n ARG 189 Cb 0.22 -3.12 0.00 0.00 0.45 0.00 0.00 32.46 30.01 2pq0 n ARG 189 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 2pq0 n ILE 192 N 7.29 0.00 -0.03 5.15 -5.35 -1.26 -4.61 119.36 120.55 2pq0 n ILE 192 Ca 0.46 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.81 2pq0 n ILE 192 Cb 0.43 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.24 2pq0 n ILE 192 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2pq0 h GLU 193 N 0.05 0.08 -0.63 6.28 5.08 -1.81 0.22 114.58 123.84 2pq0 h GLU 193 Ca 0.00 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 2pq0 h GLU 193 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2pq0 h GLU 193 CO 0.00 0.59 0.06 0.87 -1.00 0.00 0.00 179.01 179.52 2pq0 h LYS 194 N -0.42 1.08 0.00 2.33 1.79 -1.96 -2.69 116.57 116.71 2pq0 h LYS 194 Ca 0.00 -0.32 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 2pq0 h LYS 194 Cb 0.58 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2pq0 h LYS 194 CO 0.01 1.02 0.00 1.28 -1.08 0.00 0.00 179.45 180.68 2pq0 n LEU 195 N -4.21 0.61 -0.95 2.94 4.77 -1.22 -4.92 117.00 114.02 2pq0 n LEU 195 Ca 0.03 0.58 -0.05 0.00 -0.03 0.00 0.00 56.01 56.55 2pq0 n LEU 195 Cb 0.32 -0.42 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 2pq0 n LEU 195 CO 0.44 -0.26 0.01 0.61 -1.33 0.00 0.00 177.39 176.86 2pq0 n GLY 196 N 0.91 0.46 3.55 -0.72 0.00 -0.28 -5.00 105.19 104.11 2pq0 n GLY 196 Ca 0.05 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 2pq0 n GLY 196 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pq0 s ILE 197 N -2.76 4.29 0.31 -0.61 1.01 0.61 -4.83 121.20 119.23 2pq0 s ILE 197 Ca 0.08 -0.21 -0.28 0.00 0.00 0.00 0.00 60.65 60.25 2pq0 s ILE 197 Cb -0.04 -2.92 -0.09 0.00 0.01 0.00 0.00 42.46 39.42 2pq0 s ILE 197 CO 0.10 0.47 1.08 -1.81 0.00 0.00 0.00 174.94 174.78 2pq0 s ASP 198 N 0.47 7.13 0.33 3.58 -0.00 -1.26 -4.61 116.67 122.32 2pq0 s ASP 198 Ca -0.00 2.18 0.12 0.00 -0.00 0.00 0.00 52.55 54.85 2pq0 s ASP 198 Cb -0.13 -2.61 0.96 0.00 -0.00 0.00 0.00 42.92 41.13 2pq0 s ASP 198 CO 0.02 -0.23 1.71 0.11 -0.00 0.00 0.00 175.17 176.78 2pq0 h LYS 199 N 3.44 0.48 -0.41 8.23 1.57 -1.96 0.41 116.57 128.32 2pq0 h LYS 199 Ca -0.47 -0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.40 2pq0 h LYS 199 Cb 1.21 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 2pq0 h LYS 199 CO 0.66 0.32 0.54 0.87 -0.57 0.00 0.00 179.45 181.27 2pq0 h LYS 200 N 0.50 0.00 -0.43 3.15 1.57 -1.93 0.16 116.57 119.58 2pq0 h LYS 200 Ca 0.67 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.45 2pq0 h LYS 200 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.69 2pq0 h LYS 200 CO -0.51 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.12 2pq0 n ASP 201 N -3.48 3.27 -4.60 0.86 8.00 0.14 -4.83 116.55 115.91 2pq0 n ASP 201 Ca 0.08 -2.08 -0.36 0.00 0.71 0.00 0.00 54.79 53.14 2pq0 n ASP 201 Cb 0.71 -0.32 -0.10 0.00 -0.02 0.00 0.00 41.12 41.39 2pq0 n ASP 201 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2pq0 s VAL 202 N -1.15 4.96 0.22 2.53 1.01 0.53 -1.89 120.40 126.61 2pq0 s VAL 202 Ca 0.31 0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.43 2pq0 s VAL 202 Cb 0.17 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2pq0 s VAL 202 CO 0.19 0.37 -0.12 -0.31 0.00 0.00 0.00 175.10 175.23 2pq0 s TYR 203 N 1.01 2.51 -0.09 5.22 2.02 0.20 -2.16 117.35 126.08 2pq0 s TYR 203 Ca 0.06 -0.27 -0.15 0.00 -0.37 0.00 0.00 57.07 56.33 2pq0 s TYR 203 Cb -0.14 -1.18 0.03 0.00 -0.40 0.00 0.00 41.96 40.28 2pq0 s TYR 203 CO 0.04 0.57 0.38 0.00 -1.57 0.00 0.00 175.55 174.97 2pq0 s ALA 204 N -1.98 -0.95 -0.14 3.71 0.00 -0.90 -0.88 121.76 120.61 2pq0 s ALA 204 Ca 0.26 0.80 0.02 0.00 0.00 0.00 0.00 51.96 53.04 2pq0 s ALA 204 Cb -0.07 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.76 2pq0 s ALA 204 CO 0.15 -0.23 -0.18 -0.06 0.00 0.00 0.00 175.76 175.44 2pq0 s PHE 205 N -0.53 2.43 0.24 0.00 0.08 -0.38 0.67 117.98 120.49 2pq0 s PHE 205 Ca -0.06 -1.30 0.00 0.00 0.12 0.00 0.00 56.93 55.69 2pq0 s PHE 205 Cb -0.04 -1.71 -0.05 0.00 -0.57 0.00 0.00 43.02 40.66 2pq0 s PHE 205 CO 0.03 -0.64 0.11 0.20 -0.10 0.00 0.00 175.22 174.82 2pq0 s GLY 206 N 1.11 1.62 0.00 4.36 0.00 0.13 -2.69 107.32 111.85 2pq0 s GLY 206 Ca -0.02 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 42.90 2pq0 s GLY 206 CO -0.06 -1.52 0.00 1.34 0.00 0.00 0.00 173.10 172.86 2pq0 n ASP 207 N -0.39 0.19 -5.00 1.64 2.03 -1.26 -4.26 116.55 109.50 2pq0 n ASP 207 Ca 0.01 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.14 2pq0 n ASP 207 Cb 0.66 0.01 0.01 0.00 -0.72 0.00 0.00 41.12 41.08 2pq0 n ASP 207 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2pq0 s GLY 208 N -2.30 1.94 0.56 0.27 0.00 -1.26 -3.41 107.32 103.12 2pq0 s GLY 208 Ca 0.00 -1.75 0.24 0.00 0.00 0.00 0.00 44.72 43.21 2pq0 s GLY 208 CO 0.00 -1.54 2.22 1.41 0.00 0.00 0.00 173.10 175.19 2pq0 h LEU 209 N 0.61 0.00 0.00 0.66 3.38 -1.98 0.11 115.31 118.09 2pq0 h LEU 209 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2pq0 h LEU 209 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2pq0 h LEU 209 CO 0.45 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.53 2pq0 n ASN 210 N -4.11 0.00 -0.68 -0.43 2.04 -1.26 -2.17 115.26 108.64 2pq0 n ASN 210 Ca -0.03 -0.15 0.11 0.00 -0.44 0.00 0.00 54.58 54.07 2pq0 n ASN 210 Cb 0.09 -0.23 0.04 0.00 -2.53 0.00 0.00 39.78 37.14 2pq0 n ASN 210 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 2pq0 n ASP 211 N -1.23 2.42 0.02 0.53 8.00 0.40 -4.54 116.55 122.15 2pq0 n ASP 211 Ca 0.11 -1.71 -0.12 0.00 0.71 0.00 0.00 54.79 53.79 2pq0 n ASP 211 Cb 0.15 0.29 -0.06 0.00 -0.02 0.00 0.00 41.12 41.48 2pq0 n ASP 211 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2pq0 h ILE 212 N 3.35 1.02 0.00 0.53 2.04 -1.50 -0.24 117.51 122.70 2pq0 h ILE 212 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2pq0 h ILE 212 Cb 0.85 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 2pq0 h ILE 212 CO 0.00 0.01 0.00 1.21 0.00 0.00 0.00 178.15 179.37 2pq0 n GLU 213 N -5.06 0.00 0.00 2.37 2.13 -1.26 -1.60 120.64 117.22 2pq0 n GLU 213 Ca -0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.76 2pq0 n GLU 213 Cb 0.03 -1.05 0.00 0.00 0.27 0.00 0.00 31.44 30.69 2pq0 n GLU 213 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2pq0 n LEU 215 N 0.56 0.00 0.18 4.31 4.32 -0.10 -1.27 117.00 125.00 2pq0 n LEU 215 Ca 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 56.01 56.08 2pq0 n LEU 215 Cb 0.00 0.00 0.11 0.00 -1.62 0.00 0.00 43.42 41.91 2pq0 n LEU 215 CO 0.00 0.00 0.60 0.77 -1.22 0.00 0.00 177.39 177.54 2pq0 h SER 216 N 0.00 0.00 0.14 -1.43 4.64 -1.51 -3.31 113.55 112.09 2pq0 h SER 216 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 2pq0 h SER 216 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.11 2pq0 h SER 216 CO 0.00 0.13 -0.83 0.15 -0.87 0.00 0.00 176.83 175.41 2pq0 h PHE 217 N 0.00 0.56 -3.83 4.77 3.04 -1.43 -3.47 116.94 116.58 2pq0 h PHE 217 Ca -0.01 -0.41 -0.46 0.00 3.98 0.00 0.00 57.97 61.07 2pq0 h PHE 217 Cb 1.11 -0.02 0.17 0.00 2.56 0.00 0.00 35.95 39.76 2pq0 h PHE 217 CO 0.00 1.31 0.17 0.14 -2.02 0.00 0.00 178.31 177.92 2pq0 s VAL 218 N -2.46 2.26 0.13 1.41 -7.23 -1.26 -4.95 120.40 108.31 2pq0 s VAL 218 Ca -0.13 0.09 -0.17 0.00 -1.81 0.00 0.00 61.98 59.95 2pq0 s VAL 218 Cb 0.01 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 2pq0 s VAL 218 CO 0.84 -0.11 1.71 1.23 -0.31 0.00 0.00 175.10 178.45 2pq0 h GLY 219 N -1.94 0.50 -7.33 2.32 0.00 -1.14 -3.39 103.07 92.09 2pq0 h GLY 219 Ca -0.54 -0.24 -0.59 0.00 0.00 0.00 0.00 47.33 45.96 2pq0 h GLY 219 CO 0.54 0.23 -0.76 -1.59 0.00 0.00 0.00 176.54 174.96 2pq0 s THR 220 N -5.75 1.10 -0.03 4.70 2.01 -0.94 -4.98 115.64 111.76 2pq0 s THR 220 Ca -0.13 -1.33 -0.17 0.00 0.31 0.00 0.00 61.69 60.37 2pq0 s THR 220 Cb 0.09 -1.70 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 2pq0 s THR 220 CO 0.73 -0.48 0.46 -0.83 -0.69 0.00 0.00 174.62 173.81 2pq0 s GLY 221 N 1.53 2.48 -0.11 4.40 0.00 -1.24 -2.12 107.32 112.26 2pq0 s GLY 221 Ca 0.05 -0.17 0.03 0.00 0.00 0.00 0.00 44.72 44.63 2pq0 s GLY 221 CO -0.17 0.42 -0.19 0.14 0.00 0.00 0.00 173.10 173.30 2pq0 s VAL 222 N -0.47 1.77 0.00 1.40 1.01 0.21 -0.12 120.40 124.20 2pq0 s VAL 222 Ca 0.25 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2pq0 s VAL 222 Cb -0.17 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.65 2pq0 s VAL 222 CO 0.13 0.49 0.00 0.00 0.00 0.00 0.00 175.10 175.73 2pq0 n ALA 223 N 3.87 0.00 0.08 5.51 0.00 -0.82 -0.70 120.51 128.45 2pq0 n ALA 223 Ca -0.20 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.04 2pq0 n ALA 223 Cb 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.82 2pq0 n ALA 223 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2pq0 h GLY 225 N 0.00 0.40 -3.35 0.00 0.00 0.71 -0.61 103.07 100.22 2pq0 h GLY 225 Ca 0.00 -1.02 -0.48 0.00 0.00 0.00 0.00 47.33 45.83 2pq0 h GLY 225 CO 0.00 0.90 0.02 0.70 0.00 0.00 0.00 176.54 178.16 2pq0 n ASN 226 N -3.55 4.95 -4.86 0.19 3.02 -1.26 -4.77 115.26 108.98 2pq0 n ASN 226 Ca -0.20 -3.77 -0.31 0.00 -0.03 0.00 0.00 54.58 50.27 2pq0 n ASN 226 Cb 1.07 -0.66 -0.01 0.00 -0.61 0.00 0.00 39.78 39.57 2pq0 n ASN 226 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pq0 s ALA 227 N -3.55 3.11 0.61 5.41 0.00 -1.26 -5.01 121.76 121.07 2pq0 s ALA 227 Ca 0.54 -0.01 -0.19 0.00 0.00 0.00 0.00 51.96 52.30 2pq0 s ALA 227 Cb 0.45 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.47 2pq0 s ALA 227 CO 0.02 -0.47 1.24 1.58 0.00 0.00 0.00 175.76 178.12 2pq0 n HIS 228 N -2.22 1.80 0.19 0.00 -0.00 -1.22 -4.76 115.22 109.00 2pq0 n HIS 228 Ca 0.06 0.43 0.05 0.00 0.46 0.00 0.00 57.72 58.72 2pq0 n HIS 228 Cb 0.54 -2.27 0.49 0.00 -0.12 0.00 0.00 29.99 28.63 2pq0 n HIS 228 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 2pq0 h GLU 229 N 0.80 0.10 0.00 1.57 5.08 -1.95 -0.15 114.58 120.03 2pq0 h GLU 229 Ca -0.50 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2pq0 h GLU 229 Cb 1.33 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 2pq0 h GLU 229 CO 0.54 0.22 -0.02 0.93 -1.00 0.00 0.00 179.01 179.68 2pq0 h GLU 230 N 0.10 0.00 0.19 2.33 4.39 -2.00 0.82 114.58 120.41 2pq0 h GLU 230 Ca 0.02 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.41 2pq0 h GLU 230 Cb 0.26 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.93 2pq0 h GLU 230 CO 0.02 0.02 -1.50 0.28 -1.16 0.00 0.00 179.01 176.66 2pq0 h VAL 231 N 0.00 1.11 0.00 3.13 2.07 -1.40 -3.30 116.25 117.86 2pq0 h VAL 231 Ca -0.00 -2.54 -0.07 0.00 0.82 0.00 0.00 66.70 64.91 2pq0 h VAL 231 Cb 0.43 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 2pq0 h VAL 231 CO 0.00 0.80 -0.33 0.11 0.02 0.00 0.00 177.57 178.18 2pq0 h LYS 232 N -0.02 0.00 -0.54 1.57 1.57 -0.75 -2.86 116.57 115.53 2pq0 h LYS 232 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2pq0 h LYS 232 Cb 2.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.28 2pq0 h LYS 232 CO 0.18 0.33 0.34 -0.09 -0.57 0.00 0.00 179.45 179.64 2pq0 h ARG 233 N 0.00 0.72 -0.00 3.15 2.43 -0.93 -2.44 114.38 117.31 2pq0 h ARG 233 Ca -0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2pq0 h ARG 233 Cb 0.61 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2pq0 h ARG 233 CO 0.04 0.50 -0.19 1.33 -1.51 0.00 0.00 179.97 180.14 2pq0 n VAL 234 N -4.69 0.00 -2.42 0.20 0.24 -1.16 -4.87 118.33 105.64 2pq0 n VAL 234 Ca 0.03 -0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.92 2pq0 n VAL 234 Cb 0.03 -0.21 -0.04 0.00 -1.47 0.00 0.00 33.84 32.16 2pq0 n VAL 234 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pq0 s ALA 235 N -2.97 3.42 -0.73 2.33 0.00 -0.92 -4.41 121.76 118.49 2pq0 s ALA 235 Ca 0.14 0.95 0.26 0.00 0.00 0.00 0.00 51.96 53.30 2pq0 s ALA 235 Cb 0.19 -3.36 0.71 0.00 0.00 0.00 0.00 23.12 20.66 2pq0 s ALA 235 CO 0.59 -0.26 1.67 -0.25 0.00 0.00 0.00 175.76 177.51 2pq0 n ASP 236 N 1.41 0.74 -3.64 0.00 8.00 0.83 -4.82 116.55 119.08 2pq0 n ASP 236 Ca 0.00 0.45 -0.10 0.00 0.71 0.00 0.00 54.79 55.84 2pq0 n ASP 236 Cb 0.44 -0.53 -0.07 0.00 -0.02 0.00 0.00 41.12 40.94 2pq0 n ASP 236 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2pq0 s PHE 237 N -3.11 -0.74 -0.18 1.24 2.19 -1.07 -4.98 117.98 111.32 2pq0 s PHE 237 Ca 0.10 1.71 -0.05 0.00 0.33 0.00 0.00 56.93 59.02 2pq0 s PHE 237 Cb 0.13 0.37 -0.03 0.00 -1.31 0.00 0.00 43.02 42.18 2pq0 s PHE 237 CO 0.63 -0.36 -0.01 0.08 1.83 0.00 0.00 175.22 177.39 2pq0 s VAL 238 N 0.66 4.01 0.59 3.12 1.01 -1.26 -1.94 120.40 126.59 2pq0 s VAL 238 Ca -0.02 -0.30 0.10 0.00 0.00 0.00 0.00 61.98 61.76 2pq0 s VAL 238 Cb -0.05 -2.79 0.10 0.00 0.00 0.00 0.00 36.38 33.64 2pq0 s VAL 238 CO -0.06 0.45 0.81 1.07 0.00 0.00 0.00 175.10 177.37 2pq0 n THR 239 N 3.95 0.00 -1.04 3.92 5.66 -0.24 -4.95 114.28 121.58 2pq0 n THR 239 Ca -0.17 -1.95 -0.29 0.00 -3.05 0.00 0.00 64.05 58.59 2pq0 n THR 239 Cb 0.52 -0.52 0.22 0.00 -1.55 0.00 0.00 70.33 69.01 2pq0 n THR 239 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2pq0 s LYS 240 N -4.66 -0.75 0.80 1.09 1.02 -1.26 -1.10 119.74 114.88 2pq0 s LYS 240 Ca 0.62 0.20 -0.11 0.00 0.02 0.00 0.00 55.97 56.70 2pq0 s LYS 240 Cb -0.05 -1.63 0.07 0.00 -0.52 0.00 0.00 37.83 35.71 2pq0 s LYS 240 CO 0.39 -3.45 1.11 -2.14 -0.92 0.00 0.00 175.35 170.34 2pq0 s PRO 241 N -5.17 2.00 0.34 -1.68 0.02 -1.26 -0.72 135.00 128.54 2pq0 s PRO 241 Ca 0.69 1.30 0.07 0.00 0.02 0.00 0.00 61.00 63.07 2pq0 s PRO 241 Cb -0.14 -1.86 0.76 0.00 0.02 0.00 0.00 34.50 33.28 2pq0 s PRO 241 CO 0.57 -1.85 1.87 -0.24 -0.33 0.00 0.00 177.00 177.02 2pq0 h VAL 242 N -1.19 0.86 -0.34 3.83 3.04 -1.92 0.08 116.25 120.62 2pq0 h VAL 242 Ca -0.44 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 64.99 2pq0 h VAL 242 Cb 1.24 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 2pq0 h VAL 242 CO 0.49 0.14 0.00 -0.90 -1.01 0.00 0.00 177.57 176.29 2pq0 n ASP 243 N -4.57 2.35 -1.86 3.17 5.75 -1.26 -3.82 116.55 116.32 2pq0 n ASP 243 Ca 0.17 -2.14 -0.15 0.00 -0.01 0.00 0.00 54.79 52.67 2pq0 n ASP 243 Cb 0.43 -0.35 0.06 0.00 -1.03 0.00 0.00 41.12 40.23 2pq0 n ASP 243 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2pq0 n LYS 244 N 0.48 2.89 -2.34 0.11 4.76 -0.05 -4.92 118.16 119.09 2pq0 n LYS 244 Ca 0.12 -3.86 -0.20 0.00 -2.87 0.00 0.00 58.31 51.51 2pq0 n LYS 244 Cb 0.43 -2.00 -0.01 0.00 -1.84 0.00 0.00 35.03 31.61 2pq0 n LYS 244 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2pq0 n GLU 245 N -0.73 -1.61 -0.24 1.97 1.02 -1.25 -4.69 120.64 115.12 2pq0 n GLU 245 Ca 0.33 0.99 0.02 0.00 -0.02 0.00 0.00 57.16 58.49 2pq0 n GLU 245 Cb 0.90 -5.61 0.10 0.00 -0.02 0.00 0.00 31.44 26.82 2pq0 n GLU 245 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2pq0 h GLY 246 N 0.00 0.60 0.86 0.62 0.00 -1.51 0.18 103.07 103.81 2pq0 h GLY 246 Ca -0.48 0.19 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 2pq0 h GLY 246 CO 0.57 -0.27 -0.11 -2.22 0.00 0.00 0.00 176.54 174.51 2pq0 h ILE 247 N 0.03 1.30 -0.39 2.60 2.04 -1.85 -1.15 117.51 120.09 2pq0 h ILE 247 Ca 0.35 -1.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 2pq0 h ILE 247 Cb 0.57 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 2pq0 h ILE 247 CO -0.70 0.37 0.15 -0.25 0.00 0.00 0.00 178.15 177.72 2pq0 h TRP 248 N 0.26 0.60 -0.35 1.37 2.91 -1.67 -1.89 115.95 117.17 2pq0 h TRP 248 Ca 0.06 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.03 2pq0 h TRP 248 Cb 0.61 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 29.07 2pq0 h TRP 248 CO 0.06 0.54 0.22 -0.92 -1.03 0.00 0.00 178.44 177.31 2pq0 h TYR 249 N 0.48 0.46 -0.24 2.65 5.03 -0.66 -1.24 116.97 123.45 2pq0 h TYR 249 Ca 0.13 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.44 2pq0 h TYR 249 Cb 0.20 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.31 2pq0 h TYR 249 CO 0.00 0.31 0.15 0.78 -1.32 0.00 0.00 178.16 178.08 2pq0 h GLY 250 N 0.47 0.35 1.46 1.82 0.00 -1.08 -0.83 103.07 105.25 2pq0 h GLY 250 Ca 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2pq0 h GLY 250 CO -0.03 0.14 0.29 1.41 0.00 0.00 0.00 176.54 178.36 2pq0 h LEU 251 N 0.30 0.64 -0.18 3.11 3.38 -1.20 -0.06 115.31 121.30 2pq0 h LEU 251 Ca 0.09 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2pq0 h LEU 251 Cb 0.02 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2pq0 h LEU 251 CO -0.02 0.51 0.02 0.50 0.09 0.00 0.00 178.44 179.55 2pq0 h LYS 252 N 0.73 0.30 -0.69 1.13 1.63 -0.69 0.63 116.57 119.61 2pq0 h LYS 252 Ca 0.19 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 59.88 2pq0 h LYS 252 Cb 0.01 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 2pq0 h LYS 252 CO -0.03 0.47 0.32 1.96 -3.45 0.00 0.00 179.45 178.72 2pq0 h GLN 253 N 0.08 1.00 0.00 1.90 1.08 -0.67 -0.56 115.11 117.94 2pq0 h GLN 253 Ca 0.05 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 2pq0 h GLN 253 Cb 0.32 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2pq0 h GLN 253 CO 0.00 0.80 0.00 1.28 -0.95 0.00 0.00 178.83 179.96 2pq0 n LEU 254 N -4.43 0.00 -2.09 1.46 4.77 -0.08 -4.86 117.00 111.77 2pq0 n LEU 254 Ca 0.05 0.14 -0.19 0.00 -0.03 0.00 0.00 56.01 55.98 2pq0 n LEU 254 Cb 0.14 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2pq0 n LEU 254 CO 0.39 -0.04 -0.24 0.00 -1.33 0.00 0.00 177.39 176.17 2pq0 n GLN 255 N -1.14 -1.48 0.17 3.23 6.02 -0.22 -4.85 117.38 119.12 2pq0 n GLN 255 Ca 0.13 0.92 0.12 0.00 -0.01 0.00 0.00 57.00 58.16 2pq0 n GLN 255 Cb 0.12 -5.44 0.16 0.00 1.02 0.00 0.00 30.24 26.09 2pq0 n GLN 255 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2pq0 h LEU 256 N 0.00 0.00 -0.73 1.08 3.38 -1.13 -3.49 115.31 114.42 2pq0 h LEU 256 Ca -0.44 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2pq0 h LEU 256 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2pq0 h LEU 256 CO 0.53 0.01 0.00 -0.38 0.09 0.00 0.00 178.44 178.68