#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lq9 n GLU 3 N 0.00 1.17 0.23 0.00 1.02 -1.26 -4.85 120.64 116.95 1lq9 n GLU 3 Ca 0.00 0.42 0.10 0.00 -0.02 0.00 0.00 57.16 57.66 1lq9 n GLU 3 Cb 0.00 -1.98 0.66 0.00 -0.02 0.00 0.00 31.44 30.10 1lq9 n GLU 3 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1lq9 h VAL 4 N 1.27 0.94 -0.70 2.62 -1.51 -2.04 -1.42 116.25 115.41 1lq9 h VAL 4 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1lq9 h VAL 4 Cb 1.35 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 1lq9 h VAL 4 CO 0.55 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 176.43 1lq9 n ASN 5 N -4.48 4.12 -4.72 4.19 6.94 -1.26 -4.99 115.26 115.06 1lq9 n ASN 5 Ca -0.01 -2.11 -0.42 0.00 -0.02 0.00 0.00 54.58 52.02 1lq9 n ASN 5 Cb 0.16 -0.50 -0.03 0.00 -2.36 0.00 0.00 39.78 37.05 1lq9 n ASN 5 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1lq9 s ASP 6 N -0.98 6.55 0.23 0.53 -1.08 -0.54 -4.85 116.67 116.53 1lq9 s ASP 6 Ca 0.49 2.68 0.19 0.00 -0.52 0.00 0.00 52.55 55.39 1lq9 s ASP 6 Cb 0.27 -2.60 0.90 0.00 -1.46 0.00 0.00 42.92 40.03 1lq9 s ASP 6 CO 0.31 -0.84 1.58 -0.81 0.52 0.00 0.00 175.17 175.93 1lq9 n PRO 7 N 3.68 0.13 0.24 4.34 -0.04 -1.26 -1.46 135.00 140.63 1lq9 n PRO 7 Ca 0.13 0.50 0.16 0.00 -0.04 0.00 0.00 63.50 64.25 1lq9 n PRO 7 Cb 0.38 -1.83 0.62 0.00 -0.04 0.00 0.00 33.50 32.64 1lq9 n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1lq9 h ARG 8 N 0.00 0.00 -6.45 0.54 3.08 -1.94 -3.41 114.38 106.20 1lq9 h ARG 8 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 1lq9 h ARG 8 Cb 0.16 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.14 1lq9 h ARG 8 CO 0.00 0.00 1.06 0.08 -1.07 0.00 0.00 179.97 180.04 1lq9 s VAL 9 N -3.57 3.85 -0.78 2.04 1.01 -0.54 -4.24 120.40 118.17 1lq9 s VAL 9 Ca 0.02 0.71 0.17 0.00 0.00 0.00 0.00 61.98 62.88 1lq9 s VAL 9 Cb 0.09 -4.59 -0.19 0.00 0.00 0.00 0.00 36.38 31.69 1lq9 s VAL 9 CO 0.52 -1.31 0.72 0.61 0.00 0.00 0.00 175.10 175.63 1lq9 n GLY 10 N 5.22 -0.65 3.44 4.51 0.00 -0.62 -4.61 105.19 112.47 1lq9 n GLY 10 Ca 0.10 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 1lq9 n GLY 10 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1lq9 s PHE 11 N -2.67 -0.67 0.01 1.61 5.36 -0.84 -4.65 117.98 116.12 1lq9 s PHE 11 Ca 0.06 1.54 0.05 0.00 -0.96 0.00 0.00 56.93 57.62 1lq9 s PHE 11 Cb 0.13 0.28 -0.01 0.00 -0.34 0.00 0.00 43.02 43.08 1lq9 s PHE 11 CO 0.72 -0.34 -0.15 0.08 -1.46 0.00 0.00 175.22 174.07 1lq9 s VAL 12 N 0.72 1.16 -0.07 3.12 1.01 0.11 -0.88 120.40 125.56 1lq9 s VAL 12 Ca -0.03 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.24 1lq9 s VAL 12 Cb -0.05 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 1lq9 s VAL 12 CO -0.05 0.22 -0.23 0.00 0.00 0.00 0.00 175.10 175.04 1lq9 s ALA 13 N -0.51 2.24 -0.27 5.51 0.00 -0.73 -1.03 121.76 126.96 1lq9 s ALA 13 Ca 0.05 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 1lq9 s ALA 13 Cb -0.06 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.31 1lq9 s ALA 13 CO 0.00 0.39 0.00 0.08 0.00 0.00 0.00 175.76 176.23 1lq9 s VAL 14 N -0.06 3.37 -0.15 0.00 1.01 -0.20 -0.84 120.40 123.52 1lq9 s VAL 14 Ca -0.06 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.04 1lq9 s VAL 14 Cb -0.15 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.50 1lq9 s VAL 14 CO 0.05 0.14 -0.16 -0.69 0.00 0.00 0.00 175.10 174.43 1lq9 s VAL 15 N 1.40 2.55 -0.16 2.92 1.01 -0.11 -0.85 120.40 127.17 1lq9 s VAL 15 Ca 0.01 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 1lq9 s VAL 15 Cb -0.17 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1lq9 s VAL 15 CO -0.01 0.52 -0.06 -0.89 0.00 0.00 0.00 175.10 174.65 1lq9 s THR 16 N 0.85 3.55 -0.27 3.92 2.01 0.40 -0.37 115.64 125.73 1lq9 s THR 16 Ca -0.05 -0.47 -0.05 0.00 0.31 0.00 0.00 61.69 61.43 1lq9 s THR 16 Cb -0.15 -2.56 0.01 0.00 0.01 0.00 0.00 72.50 69.81 1lq9 s THR 16 CO -0.01 0.48 0.04 -0.36 -0.69 0.00 0.00 174.62 174.08 1lq9 s PHE 17 N 0.61 3.10 -0.01 4.92 0.40 0.48 -1.06 117.98 126.42 1lq9 s PHE 17 Ca -0.04 -1.04 -0.30 0.00 -0.60 0.00 0.00 56.93 54.95 1lq9 s PHE 17 Cb -0.15 -2.19 -0.03 0.00 0.51 0.00 0.00 43.02 41.16 1lq9 s PHE 17 CO 0.03 -0.58 0.99 -1.25 0.70 0.00 0.00 175.22 175.10 1lq9 s PRO 18 N 1.47 4.54 0.29 0.24 0.04 -1.26 -1.32 135.00 139.00 1lq9 s PRO 18 Ca 0.03 1.43 0.03 0.00 0.04 0.00 0.00 61.00 62.53 1lq9 s PRO 18 Cb -0.16 -3.46 -0.06 0.00 0.04 0.00 0.00 34.50 30.85 1lq9 s PRO 18 CO 0.00 -0.08 0.05 0.14 0.04 0.00 0.00 177.00 177.15 1lq9 s VAL 19 N 1.09 1.03 -2.37 -0.36 -7.23 -0.21 -0.98 120.40 111.36 1lq9 s VAL 19 Ca 0.52 -2.01 0.28 0.00 -1.81 0.00 0.00 61.98 58.96 1lq9 s VAL 19 Cb -0.21 -2.64 0.56 0.00 0.56 0.00 0.00 36.38 34.65 1lq9 s VAL 19 CO 0.27 -0.09 1.78 -0.90 -0.31 0.00 0.00 175.10 175.85 1lq9 n ASP 20 N -0.57 1.30 0.00 4.85 5.68 -0.40 -4.62 116.55 122.79 1lq9 n ASP 20 Ca -0.03 -1.38 0.00 0.00 -0.50 0.00 0.00 54.79 52.88 1lq9 n ASP 20 Cb 0.66 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.65 1lq9 n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lq9 n GLY 21 N 1.18 -1.93 0.27 6.12 0.00 -1.20 -4.99 105.19 104.64 1lq9 n GLY 21 Ca 0.19 -1.45 0.03 0.00 0.00 0.00 0.00 46.02 44.79 1lq9 n GLY 21 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1lq9 h PRO 22 N 1.34 0.37 -0.61 1.61 0.11 -1.92 -0.99 132.00 131.90 1lq9 h PRO 22 Ca 0.00 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1lq9 h PRO 22 Cb 0.00 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.01 1lq9 h PRO 22 CO 0.00 0.36 0.31 0.00 -0.21 0.00 0.00 178.00 178.46 1lq9 h ALA 23 N 1.69 0.79 -0.23 -0.75 0.00 -1.94 -1.38 119.26 117.44 1lq9 h ALA 23 Ca 0.09 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1lq9 h ALA 23 Cb 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1lq9 h ALA 23 CO -0.00 0.34 -0.43 1.15 0.00 0.00 0.00 179.25 180.31 1lq9 h THR 24 N 0.84 1.30 -0.57 0.00 2.02 -1.78 -1.84 112.91 112.89 1lq9 h THR 24 Ca 0.21 -1.62 0.09 0.00 0.77 0.00 0.00 66.41 65.86 1lq9 h THR 24 Cb 0.10 1.60 -0.07 0.00 -1.74 0.00 0.00 68.15 68.04 1lq9 h THR 24 CO -0.03 0.51 0.20 1.56 0.37 0.00 0.00 175.52 178.13 1lq9 h GLN 25 N 0.45 0.36 -0.29 6.66 4.20 -0.73 0.50 115.11 126.26 1lq9 h GLN 25 Ca 0.03 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1lq9 h GLN 25 Cb 0.94 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 1lq9 h GLN 25 CO 0.08 0.24 0.05 1.25 -0.67 0.00 0.00 178.83 179.78 1lq9 h HIS 26 N 0.37 0.50 -0.75 2.96 2.76 -1.01 -1.67 115.15 118.31 1lq9 h HIS 26 Ca 0.28 -0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 58.37 1lq9 h HIS 26 Cb 0.35 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.13 1lq9 h HIS 26 CO -0.18 0.56 0.40 0.87 -1.30 0.00 0.00 177.93 178.29 1lq9 h LYS 27 N 0.30 1.04 -0.31 5.26 1.57 -0.96 -0.76 116.57 122.71 1lq9 h LYS 27 Ca 0.09 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 1lq9 h LYS 27 Cb 0.32 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1lq9 h LYS 27 CO 0.00 0.77 -0.26 1.25 -0.57 0.00 0.00 179.45 180.64 1lq9 h LEU 28 N 1.05 0.76 -0.65 2.94 5.85 -0.70 0.31 115.31 124.87 1lq9 h LEU 28 Ca 0.26 -0.46 -0.07 0.00 0.84 0.00 0.00 57.88 58.45 1lq9 h LEU 28 Cb 0.03 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1lq9 h LEU 28 CO -0.04 1.06 0.12 0.58 -0.34 0.00 0.00 178.44 179.81 1lq9 h VAL 29 N 0.47 1.26 -1.00 1.05 2.07 -1.09 0.00 116.25 119.01 1lq9 h VAL 29 Ca 0.05 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 66.58 1lq9 h VAL 29 Cb 0.83 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 1lq9 h VAL 29 CO 0.07 0.38 0.66 -0.08 0.02 0.00 0.00 177.57 178.62 1lq9 h GLU 30 N 0.99 1.29 -0.19 1.57 4.81 -0.93 -1.28 114.58 120.83 1lq9 h GLU 30 Ca 0.20 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1lq9 h GLU 30 Cb 0.42 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1lq9 h GLU 30 CO 0.01 0.86 -0.06 1.25 -0.73 0.00 0.00 179.01 180.33 1lq9 h LEU 31 N 1.33 0.39 -1.43 1.64 5.85 -0.61 -1.03 115.31 121.45 1lq9 h LEU 31 Ca 0.38 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1lq9 h LEU 31 Cb -0.11 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1lq9 h LEU 31 CO -0.09 0.69 -0.06 0.00 -0.34 0.00 0.00 178.44 178.64 1lq9 h ALA 32 N 0.72 1.54 -0.47 1.25 0.00 -0.59 -2.42 119.26 119.28 1lq9 h ALA 32 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1lq9 h ALA 32 Cb 0.52 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1lq9 h ALA 32 CO 0.02 0.33 0.00 0.25 0.00 0.00 0.00 179.25 179.86 1lq9 n THR 33 N -4.32 1.66 0.64 0.00 -2.24 -0.52 -4.51 114.28 104.99 1lq9 n THR 33 Ca -0.00 -1.29 0.09 0.00 -2.27 0.00 0.00 64.05 60.58 1lq9 n THR 33 Cb 0.23 0.17 0.25 0.00 -2.10 0.00 0.00 70.33 68.88 1lq9 n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lq9 n GLY 34 N 0.59 1.07 0.00 3.38 0.00 -0.39 -4.90 105.19 104.94 1lq9 n GLY 34 Ca 0.20 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1lq9 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lq9 n GLY 35 N 1.26 2.16 0.29 -0.02 0.00 -1.26 -4.99 105.19 102.64 1lq9 n GLY 35 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 1lq9 n GLY 35 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1lq9 h VAL 36 N 0.00 1.03 -0.28 1.61 3.04 -1.84 -2.33 116.25 117.49 1lq9 h VAL 36 Ca 0.00 -0.09 -0.14 0.00 -1.01 0.00 0.00 66.70 65.46 1lq9 h VAL 36 Cb 0.00 0.74 -0.08 0.00 -2.01 0.00 0.00 31.29 29.94 1lq9 h VAL 36 CO 0.00 0.05 -0.17 0.00 -1.01 0.00 0.00 177.57 176.44 1lq9 n GLN 37 N -4.50 1.79 -0.31 4.17 10.64 -1.26 -4.64 117.38 123.26 1lq9 n GLN 37 Ca 0.01 -3.21 0.13 0.00 -1.83 0.00 0.00 57.00 52.10 1lq9 n GLN 37 Cb 0.11 -1.78 0.37 0.00 -0.86 0.00 0.00 30.24 28.08 1lq9 n GLN 37 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1lq9 h GLU 38 N 1.00 0.68 -0.10 2.61 4.57 -1.79 -0.66 114.58 120.90 1lq9 h GLU 38 Ca 0.18 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.34 1lq9 h GLU 38 Cb 1.52 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.96 1lq9 h GLU 38 CO 0.31 0.45 0.11 0.11 -1.18 0.00 0.00 179.01 178.81 1lq9 h TRP 39 N 0.70 0.00 0.00 0.92 5.08 -1.84 -2.43 115.95 118.38 1lq9 h TRP 39 Ca 0.51 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.44 1lq9 h TRP 39 Cb 0.87 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.02 1lq9 h TRP 39 CO -0.00 0.00 -0.21 0.97 -1.28 0.00 0.00 178.44 177.92 1lq9 h ILE 40 N 0.00 0.45 -0.41 0.12 2.10 -1.48 -3.30 117.51 114.99 1lq9 h ILE 40 Ca 0.05 -1.18 0.03 0.00 1.08 0.00 0.00 64.86 64.83 1lq9 h ILE 40 Cb 0.26 1.85 -0.02 0.00 -1.09 0.00 0.00 36.82 37.83 1lq9 h ILE 40 CO -0.00 0.20 0.27 0.03 -1.08 0.00 0.00 178.15 177.57 1lq9 h ARG 41 N 0.00 0.44 -0.39 2.19 3.08 -1.57 -2.23 114.38 115.90 1lq9 h ARG 41 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1lq9 h ARG 41 Cb 0.84 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1lq9 h ARG 41 CO 0.03 0.29 0.00 -0.85 -1.07 0.00 0.00 179.97 178.37 1lq9 n GLU 42 N -4.48 2.43 -2.09 0.04 0.28 -1.24 -4.92 120.64 110.66 1lq9 n GLU 42 Ca 0.04 -2.24 -0.41 0.00 -0.16 0.00 0.00 57.16 54.40 1lq9 n GLU 42 Cb 0.14 -1.48 -0.02 0.00 1.43 0.00 0.00 31.44 31.51 1lq9 n GLU 42 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1lq9 s VAL 43 N -1.36 2.71 0.23 3.84 1.01 -0.84 -4.92 120.40 121.07 1lq9 s VAL 43 Ca 0.37 0.69 -0.31 0.00 0.00 0.00 0.00 61.98 62.72 1lq9 s VAL 43 Cb 0.21 -3.44 -0.11 0.00 0.00 0.00 0.00 36.38 33.04 1lq9 s VAL 43 CO 0.29 0.15 1.61 -2.84 0.00 0.00 0.00 175.10 174.31 1lq9 s PRO 44 N -1.52 4.16 0.00 2.72 0.02 -1.26 -2.12 135.00 137.00 1lq9 s PRO 44 Ca 0.51 2.50 0.00 0.00 0.02 0.00 0.00 61.00 64.03 1lq9 s PRO 44 Cb -0.40 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.04 1lq9 s PRO 44 CO 0.51 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.96 1lq9 n GLY 45 N 3.07 1.90 3.69 0.52 0.00 -1.26 -4.82 105.19 108.29 1lq9 n GLY 45 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1lq9 n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1lq9 s PHE 46 N -2.33 3.07 -0.16 1.61 5.36 -0.90 -0.53 117.98 124.09 1lq9 s PHE 46 Ca 0.00 1.07 -0.03 0.00 -0.96 0.00 0.00 56.93 57.01 1lq9 s PHE 46 Cb 0.00 -3.51 -0.09 0.00 -0.34 0.00 0.00 43.02 39.08 1lq9 s PHE 46 CO 0.00 -1.72 -0.18 1.28 -1.46 0.00 0.00 175.22 173.15 1lq9 n LEU 47 N 5.26 2.22 -3.58 6.12 4.77 -0.36 -4.93 117.00 126.49 1lq9 n LEU 47 Ca 0.12 0.04 -0.05 0.00 -0.03 0.00 0.00 56.01 56.09 1lq9 n LEU 47 Cb 0.45 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1lq9 n LEU 47 CO 0.56 0.59 0.86 -0.94 -1.33 0.00 0.00 177.39 177.13 1lq9 s SER 48 N -5.97 -0.22 -0.07 -1.43 1.04 -0.93 -4.23 113.70 101.88 1lq9 s SER 48 Ca -0.22 -0.06 -0.03 0.00 0.48 0.00 0.00 55.95 56.12 1lq9 s SER 48 Cb 0.07 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.51 1lq9 s SER 48 CO 0.34 -0.47 0.09 0.00 0.98 0.00 0.00 173.24 174.18 1lq9 s ALA 49 N -2.79 0.19 -0.21 5.32 0.00 -1.26 -0.77 121.76 122.23 1lq9 s ALA 49 Ca 0.08 0.17 -0.03 0.00 0.00 0.00 0.00 51.96 52.18 1lq9 s ALA 49 Cb -0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 1lq9 s ALA 49 CO -0.06 -0.64 -0.07 0.99 0.00 0.00 0.00 175.76 175.99 1lq9 s THR 50 N 2.19 3.21 -0.18 0.00 2.01 -0.31 -4.96 115.64 117.61 1lq9 s THR 50 Ca 0.04 -0.55 -0.11 0.00 0.31 0.00 0.00 61.69 61.38 1lq9 s THR 50 Cb -0.13 -2.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.89 1lq9 s THR 50 CO -0.05 0.45 0.18 -0.31 -0.69 0.00 0.00 174.62 174.20 1lq9 s TYR 51 N 1.33 3.44 0.07 4.92 1.51 -1.26 -1.07 117.35 126.29 1lq9 s TYR 51 Ca 0.04 0.42 0.08 0.00 -1.01 0.00 0.00 57.07 56.60 1lq9 s TYR 51 Cb -0.14 -2.19 -0.03 0.00 -0.11 0.00 0.00 41.96 39.49 1lq9 s TYR 51 CO -0.03 0.32 -0.22 -1.01 -1.11 0.00 0.00 175.55 173.50 1lq9 s HIS 52 N 0.25 1.92 -0.23 2.71 3.76 0.36 -4.96 115.29 119.10 1lq9 s HIS 52 Ca 0.11 -0.39 -0.13 0.00 -0.15 0.00 0.00 55.06 54.50 1lq9 s HIS 52 Cb -0.12 -1.11 -0.04 0.00 1.11 0.00 0.00 32.58 32.42 1lq9 s HIS 52 CO 0.00 0.15 0.27 0.00 -0.85 0.00 0.00 174.74 174.32 1lq9 s ALA 53 N -0.93 3.58 0.48 -1.40 0.00 -1.26 -1.05 121.76 121.18 1lq9 s ALA 53 Ca 0.08 -0.77 -0.24 0.00 0.00 0.00 0.00 51.96 51.03 1lq9 s ALA 53 Cb -0.09 -2.49 -0.07 0.00 0.00 0.00 0.00 23.12 20.46 1lq9 s ALA 53 CO 0.03 -0.32 1.40 -1.54 0.00 0.00 0.00 175.76 175.33 1lq9 s SER 54 N 1.18 5.70 0.54 0.00 1.04 -0.30 -4.87 113.70 116.98 1lq9 s SER 54 Ca 0.12 2.86 0.31 0.00 0.48 0.00 0.00 55.95 59.73 1lq9 s SER 54 Cb -0.14 -2.65 1.47 0.00 0.10 0.00 0.00 66.02 64.80 1lq9 s SER 54 CO 0.07 -1.29 2.05 0.71 0.98 0.00 0.00 173.24 175.76 1lq9 h THR 55 N 2.04 0.35 -0.05 2.02 1.35 -1.97 -2.07 112.91 114.58 1lq9 h THR 55 Ca -0.51 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 1lq9 h THR 55 Cb 1.28 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1lq9 h THR 55 CO 0.60 0.09 0.00 -0.90 -0.25 0.00 0.00 175.52 175.06 1lq9 n ASP 56 N -3.38 0.90 0.00 5.36 5.68 -1.26 -4.92 116.55 118.93 1lq9 n ASP 56 Ca -0.01 -1.42 0.00 0.00 -0.50 0.00 0.00 54.79 52.86 1lq9 n ASP 56 Cb 0.27 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 1lq9 n ASP 56 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lq9 n GLY 57 N 1.05 1.40 0.00 6.12 0.00 -0.78 -4.91 105.19 108.07 1lq9 n GLY 57 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1lq9 n GLY 57 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1lq9 n THR 58 N -2.00 0.01 -3.71 2.61 -2.24 -1.26 -3.25 114.28 104.44 1lq9 n THR 58 Ca 0.00 -0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.64 1lq9 n THR 58 Cb 0.00 0.70 -0.07 0.00 -2.10 0.00 0.00 70.33 68.86 1lq9 n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lq9 s ALA 59 N -3.02 -0.83 -0.10 6.98 0.00 -1.26 -1.05 121.76 122.48 1lq9 s ALA 59 Ca 0.08 0.13 -0.00 0.00 0.00 0.00 0.00 51.96 52.17 1lq9 s ALA 59 Cb 0.16 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 1lq9 s ALA 59 CO 0.81 -0.44 -0.09 0.08 0.00 0.00 0.00 175.76 176.12 1lq9 s VAL 60 N -2.58 3.50 -0.11 0.00 1.01 -0.43 -1.15 120.40 120.63 1lq9 s VAL 60 Ca -0.05 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1lq9 s VAL 60 Cb -0.01 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.92 1lq9 s VAL 60 CO -0.03 0.55 -0.21 -0.69 0.00 0.00 0.00 175.10 174.72 1lq9 s VAL 61 N -0.22 1.86 -0.24 2.92 1.01 -0.21 -0.39 120.40 125.13 1lq9 s VAL 61 Ca 0.02 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 1lq9 s VAL 61 Cb -0.13 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1lq9 s VAL 61 CO 0.03 0.51 0.10 0.21 0.00 0.00 0.00 175.10 175.96 1lq9 s ASN 62 N 0.60 5.53 -0.38 3.32 2.47 0.50 -0.49 114.94 126.50 1lq9 s ASN 62 Ca -0.13 -0.07 -0.15 0.00 0.42 0.00 0.00 52.86 52.92 1lq9 s ASN 62 Cb -0.17 -1.99 0.00 0.00 -1.45 0.00 0.00 41.25 37.64 1lq9 s ASN 62 CO 0.04 0.01 0.32 -0.47 -3.72 0.00 0.00 177.10 173.28 1lq9 s TYR 63 N 1.35 3.22 -0.13 0.43 5.04 -0.23 -0.93 117.35 126.09 1lq9 s TYR 63 Ca 0.06 -0.32 0.01 0.00 -2.44 0.00 0.00 57.07 54.37 1lq9 s TYR 63 Cb -0.15 -2.62 -0.01 0.00 0.35 0.00 0.00 41.96 39.53 1lq9 s TYR 63 CO 0.05 -0.50 -0.15 0.00 -1.34 0.00 0.00 175.55 173.60 1lq9 s ALA 64 N 1.84 2.51 -0.15 3.97 0.00 -0.02 -1.16 121.76 128.75 1lq9 s ALA 64 Ca 0.08 -0.95 -0.06 0.00 0.00 0.00 0.00 51.96 51.03 1lq9 s ALA 64 Cb -0.18 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 1lq9 s ALA 64 CO 0.11 0.16 0.05 -0.65 0.00 0.00 0.00 175.76 175.43 1lq9 s GLN 65 N 0.51 3.64 0.11 0.00 -0.21 0.05 -1.78 119.66 121.97 1lq9 s GLN 65 Ca -0.10 -0.34 0.05 0.00 0.02 0.00 0.00 55.36 54.99 1lq9 s GLN 65 Cb -0.16 -3.09 -0.04 0.00 1.00 0.00 0.00 33.01 30.73 1lq9 s GLN 65 CO 0.04 0.45 -0.12 -1.58 -2.12 0.00 0.00 175.29 171.96 1lq9 s TRP 66 N -0.14 1.25 0.25 0.91 0.52 -0.06 -1.23 118.94 120.44 1lq9 s TRP 66 Ca 0.07 -0.59 -0.01 0.00 0.02 0.00 0.00 56.10 55.59 1lq9 s TRP 66 Cb -0.12 -0.66 0.30 0.00 -1.15 0.00 0.00 33.47 31.84 1lq9 s TRP 66 CO 0.01 0.08 1.69 0.93 0.02 0.00 0.00 176.95 179.69 1lq9 h GLU 67 N 3.60 0.67 -2.88 4.98 5.08 -0.99 -1.50 114.58 123.55 1lq9 h GLU 67 Ca -0.39 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 57.77 1lq9 h GLU 67 Cb 1.19 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.30 1lq9 h GLU 67 CO 0.51 0.81 0.27 -1.54 -1.00 0.00 0.00 179.01 178.05 1lq9 s SER 68 N -6.75 -0.42 0.27 1.42 1.04 -1.26 -2.10 113.70 105.90 1lq9 s SER 68 Ca -0.08 -0.23 -0.02 0.00 0.48 0.00 0.00 55.95 56.10 1lq9 s SER 68 Cb 0.14 0.61 0.37 0.00 0.10 0.00 0.00 66.02 67.24 1lq9 s SER 68 CO 0.81 -1.05 1.81 -0.08 0.98 0.00 0.00 173.24 175.72 1lq9 h GLU 69 N 2.00 0.85 -0.58 4.02 4.81 -1.90 -2.09 114.58 121.69 1lq9 h GLU 69 Ca -0.27 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 1lq9 h GLU 69 Cb 1.28 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 1lq9 h GLU 69 CO 0.32 0.77 0.30 0.37 -0.73 0.00 0.00 179.01 180.03 1lq9 h GLN 70 N 0.82 0.82 -0.68 1.92 4.15 -1.99 0.10 115.11 120.25 1lq9 h GLN 70 Ca 0.18 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 1lq9 h GLN 70 Cb 0.30 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 1lq9 h GLN 70 CO -0.00 0.65 0.29 0.00 -1.93 0.00 0.00 178.83 177.84 1lq9 h ALA 71 N 1.13 0.88 -0.24 3.38 0.00 -1.85 0.40 119.26 122.97 1lq9 h ALA 71 Ca 0.20 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1lq9 h ALA 71 Cb 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1lq9 h ALA 71 CO -0.03 0.49 0.10 -0.92 0.00 0.00 0.00 179.25 178.89 1lq9 h TYR 72 N 0.96 0.19 -0.36 0.00 5.03 -1.04 0.12 116.97 121.87 1lq9 h TYR 72 Ca 0.23 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.51 1lq9 h TYR 72 Cb 0.18 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.40 1lq9 h TYR 72 CO 0.01 0.10 0.06 0.00 -1.32 0.00 0.00 178.16 177.01 1lq9 h ARG 73 N 0.22 0.59 -0.03 1.82 3.08 -0.49 -0.91 114.38 118.67 1lq9 h ARG 73 Ca 0.10 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 1lq9 h ARG 73 Cb 0.05 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1lq9 h ARG 73 CO -0.08 0.66 -0.28 0.28 -1.07 0.00 0.00 179.97 179.48 1lq9 h VAL 74 N 0.43 1.48 -0.01 2.04 2.07 -0.88 -0.46 116.25 120.93 1lq9 h VAL 74 Ca 0.11 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.82 1lq9 h VAL 74 Cb 0.35 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1lq9 h VAL 74 CO 0.01 0.51 -0.51 0.59 0.02 0.00 0.00 177.57 178.18 1lq9 n ASN 75 N -4.48 1.65 0.02 0.57 4.13 0.42 -4.18 115.26 113.38 1lq9 n ASN 75 Ca -0.09 -1.29 0.00 0.00 1.68 0.00 0.00 54.58 54.88 1lq9 n ASN 75 Cb 0.49 0.48 0.00 0.00 -1.54 0.00 0.00 39.78 39.21 1lq9 n ASN 75 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1lq9 n PHE 76 N -0.39 -0.07 -0.28 3.10 7.35 -0.47 -4.70 117.46 122.00 1lq9 n PHE 76 Ca 0.09 0.01 0.02 0.00 -0.76 0.00 0.00 57.45 56.82 1lq9 n PHE 76 Cb 0.42 0.05 0.23 0.00 0.35 0.00 0.00 39.48 40.54 1lq9 n PHE 76 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1lq9 h GLY 77 N 0.00 1.23 1.19 7.13 0.00 -1.18 -2.11 103.07 109.33 1lq9 h GLY 77 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1lq9 h GLY 77 CO 0.00 0.35 -0.25 0.00 0.00 0.00 0.00 176.54 176.63 1lq9 n ALA 78 N -2.40 3.00 -2.67 3.60 0.00 -0.19 -4.77 120.51 117.07 1lq9 n ALA 78 Ca 0.12 -0.27 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 1lq9 n ALA 78 Cb 0.13 -1.27 -0.05 0.00 0.00 0.00 0.00 19.45 18.27 1lq9 n ALA 78 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1lq9 s ASP 79 N -2.84 6.85 0.65 0.00 3.68 -0.79 -4.94 116.67 119.28 1lq9 s ASP 79 Ca 0.17 1.03 0.39 0.00 2.13 0.00 0.00 52.55 56.27 1lq9 s ASP 79 Cb 0.19 -2.40 2.16 0.00 -1.45 0.00 0.00 42.92 41.42 1lq9 s ASP 79 CO 0.59 -0.30 2.26 1.55 0.13 0.00 0.00 175.17 179.40 1lq9 h PRO 80 N 7.29 0.00 0.00 4.34 0.13 -1.86 -0.83 132.00 141.08 1lq9 h PRO 80 Ca -0.32 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1lq9 h PRO 80 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1lq9 h PRO 80 CO 0.80 0.00 -0.00 0.00 -0.23 0.00 0.00 178.00 178.57 1lq9 h ARG 81 N 0.00 0.00 -0.06 0.86 3.08 -1.92 -0.21 114.38 116.13 1lq9 h ARG 81 Ca 0.01 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1lq9 h ARG 81 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1lq9 h ARG 81 CO -0.00 0.00 -0.44 0.66 -1.07 0.00 0.00 179.97 179.12 1lq9 h SER 82 N 0.00 0.16 0.45 7.04 4.64 -1.34 0.43 113.55 124.93 1lq9 h SER 82 Ca -0.00 -0.07 -0.19 0.00 -0.47 0.00 0.00 61.79 61.06 1lq9 h SER 82 Cb 0.00 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1lq9 h SER 82 CO 0.00 0.58 -0.82 0.00 -0.87 0.00 0.00 176.83 175.72 1lq9 h ALA 83 N 1.43 0.56 -0.43 5.18 0.00 -1.21 -0.20 119.26 124.58 1lq9 h ALA 83 Ca 0.01 -0.67 -0.12 0.00 0.00 0.00 0.00 54.91 54.13 1lq9 h ALA 83 Cb 0.83 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1lq9 h ALA 83 CO 0.06 0.84 -0.20 0.93 0.00 0.00 0.00 179.25 180.89 1lq9 h GLU 84 N 0.17 0.86 -0.45 0.00 5.08 -0.98 0.31 114.58 119.56 1lq9 h GLU 84 Ca -0.04 -0.35 -0.09 0.00 -1.00 0.00 0.00 59.36 57.88 1lq9 h GLU 84 Cb 1.42 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 1lq9 h GLU 84 CO 0.13 0.98 -0.06 1.25 -1.00 0.00 0.00 179.01 180.31 1lq9 h LEU 85 N 0.75 0.84 -0.63 1.33 5.85 -0.77 -0.82 115.31 121.85 1lq9 h LEU 85 Ca 0.11 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.50 1lq9 h LEU 85 Cb 0.74 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1lq9 h LEU 85 CO 0.06 0.98 0.41 -0.09 -0.34 0.00 0.00 178.44 179.46 1lq9 h ARG 86 N 0.69 0.81 -0.47 1.25 2.43 -0.76 -0.34 114.38 117.98 1lq9 h ARG 86 Ca 0.12 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1lq9 h ARG 86 Cb 0.59 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1lq9 h ARG 86 CO 0.04 0.53 0.31 1.49 -1.51 0.00 0.00 179.97 180.83 1lq9 h GLU 87 N 0.83 0.62 -0.26 0.20 4.57 -0.61 -0.97 114.58 118.96 1lq9 h GLU 87 Ca 0.24 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.40 1lq9 h GLU 87 Cb -0.06 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.37 1lq9 h GLU 87 CO -0.07 0.42 0.14 0.00 -1.18 0.00 0.00 179.01 178.32 1lq9 h ALA 88 N 1.17 0.32 0.00 2.92 0.00 -0.49 -2.39 119.26 120.79 1lq9 h ALA 88 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1lq9 h ALA 88 Cb -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1lq9 h ALA 88 CO -0.04 -0.26 -0.23 -0.07 0.00 0.00 0.00 179.25 178.65 1lq9 h LEU 89 N 0.29 0.00 -0.22 0.00 3.38 -0.87 -2.42 115.31 115.46 1lq9 h LEU 89 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1lq9 h LEU 89 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1lq9 h LEU 89 CO -0.07 0.23 0.00 0.77 0.09 0.00 0.00 178.44 179.46 1lq9 h SER 90 N 0.00 0.00 1.26 -0.43 4.64 -0.76 -3.26 113.55 114.99 1lq9 h SER 90 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lq9 h SER 90 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1lq9 h SER 90 CO 0.03 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.45 1lq9 n SER 91 N -2.40 0.78 -4.69 4.97 3.41 -0.91 -4.86 113.62 109.93 1lq9 n SER 91 Ca 0.04 0.61 -0.42 0.00 -0.26 0.00 0.00 58.87 58.84 1lq9 n SER 91 Cb 0.39 -0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 63.51 1lq9 n SER 91 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1lq9 s LEU 92 N -4.54 4.28 0.29 1.04 2.96 -1.23 -4.98 118.68 116.49 1lq9 s LEU 92 Ca 0.09 1.82 -0.30 0.00 -0.22 0.00 0.00 54.13 55.52 1lq9 s LEU 92 Cb 0.11 -3.56 -0.13 0.00 0.50 0.00 0.00 46.19 43.12 1lq9 s LEU 92 CO 0.54 -0.60 1.37 -2.65 -1.32 0.00 0.00 176.35 173.69 1lq9 n PRO 93 N 5.26 2.13 0.00 0.98 -0.02 -1.26 -2.36 135.00 139.73 1lq9 n PRO 93 Ca 0.11 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1lq9 n PRO 93 Cb 0.46 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1lq9 n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lq9 n GLY 94 N 1.56 1.61 3.66 -1.23 0.00 -1.26 -4.93 105.19 104.60 1lq9 n GLY 94 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1lq9 n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1lq9 s LEU 95 N 0.00 4.14 0.00 0.99 2.96 -1.00 -1.28 118.68 124.49 1lq9 s LEU 95 Ca 0.00 1.59 0.24 0.00 -0.22 0.00 0.00 54.13 55.74 1lq9 s LEU 95 Cb 0.00 -3.54 0.30 0.00 0.50 0.00 0.00 46.19 43.45 1lq9 s LEU 95 CO 0.00 -0.78 1.28 0.23 -1.32 0.00 0.00 176.35 175.76 1lq9 n MET 96 N 6.64 1.13 -3.68 1.98 2.81 -0.16 -4.98 117.12 120.87 1lq9 n MET 96 Ca 0.14 -0.85 0.00 0.00 -1.81 0.00 0.00 57.70 55.18 1lq9 n MET 96 Cb 0.45 -1.48 -0.00 0.00 -0.71 0.00 0.00 33.22 31.48 1lq9 n MET 96 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1lq9 s GLY 97 N -2.46 -0.34 0.55 3.03 0.00 -1.26 -5.05 107.32 101.80 1lq9 s GLY 97 Ca 0.21 0.50 -0.20 0.00 0.00 0.00 0.00 44.72 45.24 1lq9 s GLY 97 CO 0.54 0.51 1.16 2.56 0.00 0.00 0.00 173.10 177.87 1lq9 s PRO 98 N -2.57 3.27 0.63 2.90 0.04 -1.26 -4.56 135.00 133.45 1lq9 s PRO 98 Ca 0.15 1.72 -0.18 0.00 0.04 0.00 0.00 61.00 62.73 1lq9 s PRO 98 Cb 0.03 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1lq9 s PRO 98 CO -0.02 -0.94 1.23 -1.25 0.04 0.00 0.00 177.00 176.06 1lq9 s PRO 99 N -3.23 2.70 -0.13 0.56 0.04 -1.26 -4.74 135.00 128.94 1lq9 s PRO 99 Ca 0.73 1.88 -0.00 0.00 0.04 0.00 0.00 61.00 63.66 1lq9 s PRO 99 Cb -0.27 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1lq9 s PRO 99 CO 0.30 -1.43 -0.13 0.15 0.04 0.00 0.00 177.00 175.93 1lq9 s LYS 100 N -3.45 3.37 0.06 4.56 1.02 -0.23 -4.94 119.74 120.12 1lq9 s LYS 100 Ca 0.78 -0.69 0.05 0.00 0.02 0.00 0.00 55.97 56.13 1lq9 s LYS 100 Cb -0.32 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 1lq9 s LYS 100 CO 0.37 0.18 -0.08 0.00 -0.92 0.00 0.00 175.35 174.90 1lq9 s ALA 101 N 0.43 2.99 -0.06 5.17 0.00 -1.26 -0.46 121.76 128.57 1lq9 s ALA 101 Ca -0.10 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 50.75 1lq9 s ALA 101 Cb -0.16 -1.02 0.02 0.00 0.00 0.00 0.00 23.12 21.96 1lq9 s ALA 101 CO 0.05 0.63 -0.10 0.08 0.00 0.00 0.00 175.76 176.42 1lq9 s VAL 102 N -1.11 1.00 -0.12 0.00 1.01 -0.03 -4.99 120.40 116.17 1lq9 s VAL 102 Ca 0.20 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 1lq9 s VAL 102 Cb -0.11 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1lq9 s VAL 102 CO 0.11 0.33 0.06 -0.36 0.00 0.00 0.00 175.10 175.24 1lq9 s PHE 103 N 0.76 3.33 0.26 5.22 0.08 -1.26 -1.03 117.98 125.34 1lq9 s PHE 103 Ca -0.13 0.27 -0.18 0.00 0.12 0.00 0.00 56.93 57.01 1lq9 s PHE 103 Cb -0.15 -1.92 0.01 0.00 -0.57 0.00 0.00 43.02 40.39 1lq9 s PHE 103 CO 0.02 0.47 0.63 0.00 -0.10 0.00 0.00 175.22 176.25 1lq9 s MET 104 N -0.59 1.67 -0.02 0.44 0.23 -0.20 -5.02 119.30 115.81 1lq9 s MET 104 Ca 0.11 -1.05 0.04 0.00 -1.03 0.00 0.00 55.69 53.76 1lq9 s MET 104 Cb -0.12 0.56 -0.01 0.00 -1.53 0.00 0.00 34.83 33.74 1lq9 s MET 104 CO 0.02 -0.74 -0.12 0.95 -2.03 0.00 0.00 175.02 173.10 1lq9 s THR 105 N -3.94 0.98 0.36 3.16 -4.23 -1.26 -0.72 115.64 109.99 1lq9 s THR 105 Ca 0.14 -0.51 -0.28 0.00 -1.18 0.00 0.00 61.69 59.86 1lq9 s THR 105 Cb -0.04 -0.83 -0.11 0.00 1.34 0.00 0.00 72.50 72.86 1lq9 s THR 105 CO 0.06 0.28 1.47 -2.84 -0.54 0.00 0.00 174.62 173.06 1lq9 s PRO 106 N -0.16 4.15 0.00 3.99 0.02 -1.26 -4.92 135.00 136.82 1lq9 s PRO 106 Ca 0.02 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.56 1lq9 s PRO 106 Cb -0.06 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.47 1lq9 s PRO 106 CO -0.00 -0.50 0.00 0.54 -0.33 0.00 0.00 177.00 176.71 1lq9 n ARG 107 N 0.73 2.65 -3.59 5.54 5.12 -1.26 -5.07 116.66 120.79 1lq9 n ARG 107 Ca 0.02 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.87 1lq9 n ARG 107 Cb 0.39 -0.76 -0.04 0.00 -1.16 0.00 0.00 32.46 30.90 1lq9 n ARG 107 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1lq9 s GLY 108 N -1.11 -0.21 0.07 -0.13 0.00 -1.26 -5.18 107.32 99.50 1lq9 s GLY 108 Ca 0.00 2.03 -0.09 0.00 0.00 0.00 0.00 44.72 46.66 1lq9 s GLY 108 CO 0.00 0.88 0.19 0.00 0.00 0.00 0.00 173.10 174.18 1lq9 s ALA 109 N -1.54 -0.28 -0.14 3.20 0.00 -1.26 -5.11 121.76 116.63 1lq9 s ALA 109 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1lq9 s ALA 109 Cb -0.01 0.42 0.02 0.00 0.00 0.00 0.00 23.12 23.56 1lq9 s ALA 109 CO -0.03 -0.46 -0.13 0.42 0.00 0.00 0.00 175.76 175.55 1lq9 s ILE 110 N -3.45 1.48 0.26 0.00 1.01 -1.26 -5.14 121.20 114.10 1lq9 s ILE 110 Ca 0.02 -0.58 0.11 0.00 0.00 0.00 0.00 60.65 60.19 1lq9 s ILE 110 Cb 0.03 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 1lq9 s ILE 110 CO -0.09 0.44 -0.10 -0.76 0.00 0.00 0.00 174.94 174.43 1lq9 s LEU 111 N 1.44 2.90 0.80 2.97 2.01 -1.26 -5.12 118.68 122.42 1lq9 s LEU 111 Ca 0.03 -0.81 -0.13 0.00 0.01 0.00 0.00 54.13 53.23 1lq9 s LEU 111 Cb -0.13 -1.43 0.08 0.00 0.01 0.00 0.00 46.19 44.72 1lq9 s LEU 111 CO -0.09 0.03 1.18 -2.84 1.01 0.00 0.00 176.35 175.64 1lq9 s PRO 112 N -3.51 1.78 0.00 1.29 0.02 -1.26 -5.29 135.00 128.02 1lq9 s PRO 112 Ca 0.30 1.63 0.22 0.00 0.02 0.00 0.00 61.00 63.17 1lq9 s PRO 112 Cb -0.06 -1.80 0.17 0.00 0.02 0.00 0.00 34.50 32.83 1lq9 s PRO 112 CO 0.17 -2.08 1.19 -1.13 -0.33 0.00 0.00 177.00 174.82