#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1la6 s GLU 2 N 0.00 3.30 -0.00 7.34 2.56 -1.26 -4.95 118.70 125.68 1la6 s GLU 2 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 54.97 54.60 1la6 s GLU 2 Cb 0.00 -4.02 -0.04 0.00 2.00 0.00 0.00 34.13 32.07 1la6 s GLU 2 CO 0.00 -1.28 0.04 -1.58 -0.56 0.00 0.00 175.26 171.88 1la6 s TRP 3 N 3.36 3.17 0.28 5.30 0.52 -1.26 -5.12 118.94 125.20 1la6 s TRP 3 Ca 0.26 0.14 0.04 0.00 0.02 0.00 0.00 56.10 56.56 1la6 s TRP 3 Cb -0.14 -1.70 -0.03 0.00 -1.15 0.00 0.00 33.47 30.45 1la6 s TRP 3 CO 0.18 0.51 0.42 0.95 0.02 0.00 0.00 176.95 179.03 1la6 s THR 4 N -1.14 5.07 0.32 2.01 -4.23 -1.26 -4.98 115.64 111.44 1la6 s THR 4 Ca 0.21 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 1la6 s THR 4 Cb -0.12 -3.81 0.27 0.00 1.34 0.00 0.00 72.50 70.18 1la6 s THR 4 CO 0.12 -0.36 1.98 0.44 -0.54 0.00 0.00 174.62 176.25 1la6 h ASP 5 N 1.03 0.86 -0.57 3.99 3.45 -1.99 -1.43 116.42 121.75 1la6 h ASP 5 Ca -0.51 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 56.91 1la6 h ASP 5 Cb 1.23 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 39.77 1la6 h ASP 5 CO 0.60 0.61 0.26 0.50 -1.57 0.00 0.00 179.24 179.64 1la6 h LYS 6 N 1.01 0.82 -0.76 3.56 3.64 -1.99 -1.15 116.57 121.69 1la6 h LYS 6 Ca 0.29 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1la6 h LYS 6 Cb -0.06 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 1la6 h LYS 6 CO -0.07 0.68 0.25 0.93 -2.27 0.00 0.00 179.45 178.98 1la6 h GLU 7 N 0.77 1.17 -0.74 1.90 5.08 -1.77 -0.43 114.58 120.57 1la6 h GLU 7 Ca 0.19 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1la6 h GLU 7 Cb 0.14 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1la6 h GLU 7 CO -0.02 0.98 0.34 0.00 -1.00 0.00 0.00 179.01 179.31 1la6 h ARG 8 N 1.13 1.07 -0.13 2.33 3.08 -0.95 -1.06 114.38 119.84 1la6 h ARG 8 Ca 0.25 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1la6 h ARG 8 Cb 0.29 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1la6 h ARG 8 CO -0.01 0.85 -0.04 1.03 -1.07 0.00 0.00 179.97 180.73 1la6 h SER 9 N 1.04 0.26 0.34 7.04 0.87 -0.83 -1.14 113.55 121.13 1la6 h SER 9 Ca 0.25 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 1la6 h SER 9 Cb 0.14 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1la6 h SER 9 CO -0.03 0.58 -0.24 0.40 -0.53 0.00 0.00 176.83 177.01 1la6 h ILE 10 N -0.06 0.49 -0.96 2.23 2.04 -1.00 0.22 117.51 120.47 1la6 h ILE 10 Ca 0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.93 1la6 h ILE 10 Cb 0.47 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 1la6 h ILE 10 CO 0.01 0.00 0.62 0.40 0.00 0.00 0.00 178.15 179.18 1la6 h ILE 11 N -0.57 1.14 -0.57 -0.67 2.04 -1.23 0.12 117.51 117.76 1la6 h ILE 11 Ca -0.03 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 1la6 h ILE 11 Cb 0.49 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 1la6 h ILE 11 CO 0.01 0.22 0.17 -1.28 0.00 0.00 0.00 178.15 177.26 1la6 h SER 12 N 1.18 0.83 -0.20 1.72 0.87 -0.91 -1.97 113.55 115.08 1la6 h SER 12 Ca 0.39 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 1la6 h SER 12 Cb 0.04 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 1la6 h SER 12 CO -0.13 0.82 0.07 -0.78 -0.53 0.00 0.00 176.83 176.28 1la6 h ASP 13 N 0.80 0.29 -0.06 6.23 -0.00 0.51 -1.79 116.42 122.39 1la6 h ASP 13 Ca 0.18 -0.19 0.03 0.00 -0.00 0.00 0.00 57.03 57.05 1la6 h ASP 13 Cb 0.29 -0.08 -0.03 0.00 -0.00 0.00 0.00 39.33 39.51 1la6 h ASP 13 CO -0.00 0.41 -0.13 0.40 -0.00 0.00 0.00 179.24 179.91 1la6 h ILE 14 N 0.16 0.67 -0.06 2.25 2.04 -0.69 -2.56 117.51 119.31 1la6 h ILE 14 Ca 0.07 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.88 1la6 h ILE 14 Cb 0.21 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1la6 h ILE 14 CO -0.00 0.00 -0.18 -0.26 0.00 0.00 0.00 178.15 177.71 1la6 h PHE 15 N -0.18 0.11 0.00 1.37 0.04 -1.29 -2.50 116.94 114.48 1la6 h PHE 15 Ca 0.07 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1la6 h PHE 15 Cb 0.27 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1la6 h PHE 15 CO -0.22 0.28 0.00 -1.13 -0.60 0.00 0.00 178.31 176.65 1la6 n SER 16 N -4.28 0.15 -0.22 2.17 3.41 -0.68 -3.10 113.62 111.07 1la6 n SER 16 Ca -0.02 0.52 0.07 0.00 -0.26 0.00 0.00 58.87 59.18 1la6 n SER 16 Cb 0.27 -0.56 0.13 0.00 -0.26 0.00 0.00 64.21 63.80 1la6 n SER 16 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1la6 n HIS 17 N -1.64 0.18 -4.13 7.33 8.25 -1.00 -4.98 115.22 119.22 1la6 n HIS 17 Ca 0.07 -0.84 -0.34 0.00 -0.26 0.00 0.00 57.72 56.34 1la6 n HIS 17 Cb 0.35 -0.15 -0.11 0.00 1.12 0.00 0.00 29.99 31.20 1la6 n HIS 17 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1la6 s MET 18 N -2.33 3.81 -0.52 -0.41 0.00 -0.97 -5.05 119.30 113.82 1la6 s MET 18 Ca 0.26 -0.43 -0.19 0.00 0.00 0.00 0.00 55.69 55.33 1la6 s MET 18 Cb 0.22 -3.11 0.07 0.00 0.00 0.00 0.00 34.83 32.01 1la6 s MET 18 CO 0.04 0.20 0.62 0.34 0.00 0.00 0.00 175.02 176.22 1la6 s ASP 19 N 0.54 6.21 0.42 1.11 2.15 -1.26 -4.95 116.67 120.89 1la6 s ASP 19 Ca 0.01 -1.07 0.12 0.00 0.43 0.00 0.00 52.55 52.03 1la6 s ASP 19 Cb -0.13 -2.28 0.97 0.00 -0.30 0.00 0.00 42.92 41.18 1la6 s ASP 19 CO 0.02 -0.92 2.00 1.88 -0.17 0.00 0.00 175.17 177.98 1la6 h TYR 20 N 9.01 0.47 0.00 -5.34 0.99 -1.97 -0.52 116.97 119.62 1la6 h TYR 20 Ca -0.28 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.46 1la6 h TYR 20 Cb 1.09 -0.15 0.00 0.00 1.00 0.00 0.00 36.73 38.67 1la6 h TYR 20 CO 0.76 0.24 0.00 -0.44 -0.00 0.00 0.00 178.16 178.72 1la6 h ASP 21 N 0.46 0.00 0.00 3.88 3.32 -1.95 -1.20 116.42 120.93 1la6 h ASP 21 Ca 0.24 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.96 1la6 h ASP 21 Cb 0.37 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.87 1la6 h ASP 21 CO -0.07 0.00 -1.96 -0.67 -1.72 0.00 0.00 179.24 174.82 1la6 n ASP 22 N -2.61 1.93 -0.06 6.45 4.64 -0.57 -4.50 116.55 121.82 1la6 n ASP 22 Ca 0.02 0.37 -0.13 0.00 -1.38 0.00 0.00 54.79 53.67 1la6 n ASP 22 Cb 0.29 -0.84 -0.06 0.00 -1.04 0.00 0.00 41.12 39.46 1la6 n ASP 22 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1la6 h ILE 23 N -1.00 1.32 0.20 5.18 1.08 -1.18 -3.11 117.51 119.99 1la6 h ILE 23 Ca -0.50 -1.19 0.01 0.00 -0.39 0.00 0.00 64.86 62.79 1la6 h ILE 23 Cb 1.41 1.72 -0.04 0.00 -3.07 0.00 0.00 36.82 36.84 1la6 h ILE 23 CO -0.30 0.35 -0.52 1.23 -0.69 0.00 0.00 178.15 178.22 1la6 h GLY 24 N 0.06 -1.19 0.76 5.37 0.00 -1.42 -1.17 103.07 105.48 1la6 h GLY 24 Ca 0.04 0.64 0.05 0.00 0.00 0.00 0.00 47.33 48.05 1la6 h GLY 24 CO 0.03 -0.29 0.41 -2.55 0.00 0.00 0.00 176.54 174.13 1la6 h PRO 25 N -0.80 0.74 -0.63 4.80 0.11 -1.76 -2.27 132.00 132.19 1la6 h PRO 25 Ca -0.02 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.99 1la6 h PRO 25 Cb 0.78 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.70 1la6 h PRO 25 CO -0.24 0.49 0.19 0.87 -0.21 0.00 0.00 178.00 179.10 1la6 h LYS 26 N 0.77 0.99 -0.29 1.05 1.57 -1.46 -0.56 116.57 118.64 1la6 h LYS 26 Ca 0.29 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1la6 h LYS 26 Cb 0.12 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1la6 h LYS 26 CO -0.15 0.88 -0.08 0.00 -0.57 0.00 0.00 179.45 179.53 1la6 h ALA 27 N 1.07 0.40 -0.33 3.86 0.00 -1.01 -1.52 119.26 121.73 1la6 h ALA 27 Ca 0.20 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1la6 h ALA 27 Cb 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1la6 h ALA 27 CO -0.00 0.23 -0.10 1.25 0.00 0.00 0.00 179.25 180.63 1la6 h LEU 28 N 0.33 0.65 -0.36 0.00 5.85 -1.38 -1.97 115.31 118.43 1la6 h LEU 28 Ca 0.07 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.47 1la6 h LEU 28 Cb 0.56 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 1la6 h LEU 28 CO 0.03 0.88 0.09 0.28 -0.34 0.00 0.00 178.44 179.37 1la6 h SER 29 N 0.42 0.04 -0.76 1.25 0.02 -1.07 -1.13 113.55 112.33 1la6 h SER 29 Ca 0.08 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1la6 h SER 29 Cb 0.60 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.17 1la6 h SER 29 CO 0.04 0.06 0.47 -0.09 -1.14 0.00 0.00 176.83 176.16 1la6 h ARG 30 N 0.21 1.03 -0.84 3.45 2.43 -1.23 -2.22 114.38 117.20 1la6 h ARG 30 Ca 0.17 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1la6 h ARG 30 Cb 0.18 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 1la6 h ARG 30 CO -0.21 0.72 0.47 0.00 -1.51 0.00 0.00 179.97 179.44 1la6 h LEU 32 N 1.16 0.00 0.17 0.00 3.38 -0.87 -0.29 115.31 118.86 1la6 h LEU 32 Ca 0.30 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.92 1la6 h LEU 32 Cb 0.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1la6 h LEU 32 CO -0.05 0.27 -1.75 0.58 0.09 0.00 0.00 178.44 177.58 1la6 h VAL 33 N 0.00 0.91 0.05 1.22 2.07 -0.76 -3.16 116.25 116.57 1la6 h VAL 33 Ca -0.00 -2.48 -0.25 0.00 0.82 0.00 0.00 66.70 64.79 1la6 h VAL 33 Cb 0.71 2.73 0.01 0.00 -1.52 0.00 0.00 31.29 33.21 1la6 h VAL 33 CO 0.03 0.85 -1.05 0.58 0.02 0.00 0.00 177.57 178.01 1la6 h VAL 34 N 0.06 1.41 -2.43 2.57 2.07 -0.66 -3.36 116.25 115.90 1la6 h VAL 34 Ca -0.35 -2.59 -0.60 0.00 0.82 0.00 0.00 66.70 63.98 1la6 h VAL 34 Cb 2.06 2.58 -0.41 0.00 -1.52 0.00 0.00 31.29 34.00 1la6 h VAL 34 CO 0.16 0.77 -0.76 -1.22 0.02 0.00 0.00 177.57 176.54 1la6 n TYR 35 N -3.70 1.94 0.07 1.57 4.01 -0.13 -4.99 117.16 115.93 1la6 n TYR 35 Ca -0.08 -3.93 0.20 0.00 -0.16 0.00 0.00 57.90 53.93 1la6 n TYR 35 Cb 0.90 -0.40 0.64 0.00 -0.31 0.00 0.00 39.34 40.17 1la6 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1la6 h PRO 36 N 4.72 0.00 0.00 -0.72 0.11 -1.71 -1.73 132.00 132.67 1la6 h PRO 36 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1la6 h PRO 36 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1la6 h PRO 36 CO 0.65 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.77 1la6 n TRP 37 N -3.40 0.23 1.28 0.65 2.14 -1.26 -1.42 117.44 115.66 1la6 n TRP 37 Ca 0.09 0.09 0.13 0.00 2.07 0.00 0.00 57.50 59.89 1la6 n TRP 37 Cb 0.83 -0.65 0.46 0.00 -0.81 0.00 0.00 31.31 31.14 1la6 n TRP 37 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1la6 n THR 38 N -1.71 0.00 0.24 -1.67 -2.24 -0.65 -3.58 114.28 104.67 1la6 n THR 38 Ca 0.03 -0.09 0.11 0.00 -2.27 0.00 0.00 64.05 61.83 1la6 n THR 38 Cb 0.17 0.19 0.60 0.00 -2.10 0.00 0.00 70.33 69.18 1la6 n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1la6 h GLN 39 N 0.86 0.00 -0.06 -0.78 4.20 -1.44 -3.09 115.11 114.80 1la6 h GLN 39 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1la6 h GLN 39 Cb 0.45 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 1la6 h GLN 39 CO 0.00 0.18 0.04 0.07 -0.67 0.00 0.00 178.83 178.45 1la6 h ARG 40 N 0.00 0.00 0.00 1.46 0.11 -1.74 -1.59 114.38 112.62 1la6 h ARG 40 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1la6 h ARG 40 Cb 0.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.61 1la6 h ARG 40 CO 0.02 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.75 1la6 n TYR 41 N -4.46 0.67 0.00 4.08 4.02 -1.17 -5.22 117.16 115.08 1la6 n TYR 41 Ca -0.02 0.23 0.00 0.00 -0.01 0.00 0.00 57.90 58.11 1la6 n TYR 41 Cb 0.15 -0.88 0.00 0.00 -0.02 0.00 0.00 39.34 38.59 1la6 n TYR 41 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1la6 n PHE 42 N -2.08 0.00 0.00 -0.72 3.72 -0.60 -5.19 117.46 112.58 1la6 n PHE 42 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1la6 n PHE 42 Cb 0.29 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 1la6 n PHE 42 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1la6 n ILE 54 N 0.00 0.00 -0.10 4.37 5.41 -1.26 -5.05 119.36 122.73 1la6 n ILE 54 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 1la6 n ILE 54 Cb 0.00 -0.03 -0.02 0.00 -0.71 0.00 0.00 39.64 38.88 1la6 n ILE 54 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1la6 h MET 55 N 0.00 0.48 -0.15 0.38 2.86 -1.96 -3.19 114.93 113.35 1la6 h MET 55 Ca 0.00 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1la6 h MET 55 Cb 0.05 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1la6 h MET 55 CO 0.00 0.49 0.00 -1.13 1.06 0.00 0.00 176.91 177.33 1la6 n SER 56 N -4.71 1.49 -4.63 1.22 3.41 -1.26 -4.88 113.62 104.25 1la6 n SER 56 Ca -0.02 -1.68 -0.43 0.00 -0.26 0.00 0.00 58.87 56.48 1la6 n SER 56 Cb 0.14 -0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 63.98 1la6 n SER 56 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1la6 s ASN 57 N -1.56 6.77 0.47 4.04 3.84 -1.21 -4.90 114.94 122.39 1la6 s ASN 57 Ca 0.32 1.12 0.12 0.00 0.21 0.00 0.00 52.86 54.63 1la6 s ASN 57 Cb 0.17 -2.54 1.08 0.00 -0.55 0.00 0.00 41.25 39.41 1la6 s ASN 57 CO 0.25 -1.01 2.09 0.00 -2.79 0.00 0.00 177.10 175.65 1la6 h ALA 58 N 8.82 1.85 -0.48 1.71 0.00 -1.92 -1.44 119.26 127.81 1la6 h ALA 58 Ca -0.24 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1la6 h ALA 58 Cb 1.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1la6 h ALA 58 CO 1.04 0.13 -0.14 -0.91 0.00 0.00 0.00 179.25 179.37 1la6 h ASN 59 N 0.21 0.95 -0.50 0.00 2.35 -1.98 0.90 115.58 117.51 1la6 h ASN 59 Ca 0.05 -0.37 -0.07 0.00 -0.55 0.00 0.00 56.30 55.36 1la6 h ASN 59 Cb 0.02 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 1la6 h ASN 59 CO -0.01 1.10 0.03 0.58 -1.65 0.00 0.00 177.43 177.48 1la6 h VAL 60 N 0.79 1.26 -0.60 2.81 2.07 -1.73 -2.15 116.25 118.69 1la6 h VAL 60 Ca 0.12 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1la6 h VAL 60 Cb 0.70 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1la6 h VAL 60 CO 0.05 0.36 0.38 0.00 0.02 0.00 0.00 177.57 178.39 1la6 h ALA 61 N 0.95 0.77 0.08 1.67 0.00 -1.04 -0.25 119.26 121.44 1la6 h ALA 61 Ca 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1la6 h ALA 61 Cb 0.48 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1la6 h ALA 61 CO 0.02 0.23 -0.04 0.00 0.00 0.00 0.00 179.25 179.46 1la6 h ALA 62 N 1.20 -0.11 -0.07 0.00 0.00 -0.60 -1.48 119.26 118.21 1la6 h ALA 62 Ca 0.22 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1la6 h ALA 62 Cb -0.05 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1la6 h ALA 62 CO -0.04 -0.56 -0.28 1.25 0.00 0.00 0.00 179.25 179.62 1la6 h HIS 63 N -0.12 0.13 -0.57 0.00 6.17 -1.25 -1.65 115.15 117.86 1la6 h HIS 63 Ca -0.01 -0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.04 1la6 h HIS 63 Cb 0.09 -0.03 -0.03 0.00 2.52 0.00 0.00 27.41 29.96 1la6 h HIS 63 CO -0.07 0.39 0.34 0.78 0.71 0.00 0.00 177.93 180.09 1la6 h GLY 64 N 0.94 0.84 0.95 5.26 0.00 -0.50 -0.56 103.07 110.01 1la6 h GLY 64 Ca 0.02 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 1la6 h GLY 64 CO 0.04 0.34 0.09 -2.22 0.00 0.00 0.00 176.54 174.78 1la6 h ILE 65 N 0.77 1.24 -0.83 2.60 2.04 -0.92 -2.86 117.51 119.56 1la6 h ILE 65 Ca 0.21 -0.86 0.06 0.00 1.00 0.00 0.00 64.86 65.27 1la6 h ILE 65 Cb -0.01 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 1la6 h ILE 65 CO -0.04 0.30 0.54 0.11 0.00 0.00 0.00 178.15 179.06 1la6 h LYS 66 N 0.57 0.91 -0.06 2.37 1.57 -0.75 -1.13 116.57 120.06 1la6 h LYS 66 Ca 0.13 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1la6 h LYS 66 Cb 0.35 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1la6 h LYS 66 CO 0.01 0.60 0.04 0.28 -0.57 0.00 0.00 179.45 179.81 1la6 h VAL 67 N 0.94 1.02 -0.54 0.50 2.07 -0.89 0.95 116.25 120.29 1la6 h VAL 67 Ca 0.35 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.78 1la6 h VAL 67 Cb 0.18 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1la6 h VAL 67 CO -0.12 0.01 0.11 -0.07 0.02 0.00 0.00 177.57 177.53 1la6 h LEU 68 N 0.08 0.79 -1.48 2.57 4.07 -1.29 -0.31 115.31 119.73 1la6 h LEU 68 Ca 0.02 -0.15 -0.05 0.00 0.08 0.00 0.00 57.88 57.77 1la6 h LEU 68 Cb -0.01 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.52 1la6 h LEU 68 CO -0.00 0.79 -0.26 0.45 -1.08 0.00 0.00 178.44 178.34 1la6 h HIS 69 N 0.81 0.00 -0.03 1.13 3.86 -0.91 -0.05 115.15 119.96 1la6 h HIS 69 Ca 0.17 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.22 1la6 h HIS 69 Cb 0.32 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 1la6 h HIS 69 CO 0.02 0.26 -0.71 0.78 0.86 0.00 0.00 177.93 179.14 1la6 h GLY 70 N 1.07 0.18 1.28 2.45 0.00 0.78 -2.96 103.07 105.87 1la6 h GLY 70 Ca -0.00 -0.26 -0.19 0.00 0.00 0.00 0.00 47.33 46.88 1la6 h GLY 70 CO 0.03 0.23 -0.62 1.41 0.00 0.00 0.00 176.54 177.60 1la6 h LEU 71 N 0.11 0.85 -0.66 3.11 3.38 -0.11 -3.14 115.31 118.84 1la6 h LEU 71 Ca -0.02 -0.49 0.13 0.00 0.09 0.00 0.00 57.88 57.60 1la6 h LEU 71 Cb 1.25 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 41.66 1la6 h LEU 71 CO 0.10 1.26 0.15 -0.78 0.09 0.00 0.00 178.44 179.26 1la6 h ASP 72 N 0.55 0.00 -0.87 -0.43 3.58 -0.91 -0.25 116.42 118.10 1la6 h ASP 72 Ca -0.01 0.13 0.09 0.00 0.42 0.00 0.00 57.03 57.66 1la6 h ASP 72 Cb 1.22 0.17 -0.07 0.00 1.72 0.00 0.00 39.33 42.37 1la6 h ASP 72 CO 0.13 -0.01 0.52 -0.09 -2.88 0.00 0.00 179.24 176.91 1la6 h ARG 73 N 0.27 0.85 0.00 0.28 2.43 -1.47 -1.24 114.38 115.49 1la6 h ARG 73 Ca 0.36 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.36 1la6 h ARG 73 Cb 0.57 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1la6 h ARG 73 CO -0.45 0.56 -0.54 0.78 -1.51 0.00 0.00 179.97 178.81 1la6 h GLY 74 N 0.88 0.00 1.75 2.80 0.00 -1.17 -3.04 103.07 104.29 1la6 h GLY 74 Ca 0.41 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.61 1la6 h GLY 74 CO -0.23 0.00 -0.52 1.98 0.00 0.00 0.00 176.54 177.77 1la6 h MET 75 N 0.00 0.26 0.00 4.80 1.85 -0.03 -2.68 114.93 119.13 1la6 h MET 75 Ca -0.01 -0.16 -0.12 0.00 -0.61 0.00 0.00 59.70 58.81 1la6 h MET 75 Cb 1.18 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 33.21 1la6 h MET 75 CO 0.07 0.72 -0.57 0.87 -0.40 0.00 0.00 176.91 177.60 1la6 h LYS 76 N 0.21 0.00 -2.20 0.39 1.57 -1.18 -3.35 116.57 112.01 1la6 h LYS 76 Ca 0.01 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.21 1la6 h LYS 76 Cb 0.99 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.90 1la6 h LYS 76 CO 0.08 0.57 -0.97 -1.71 -0.57 0.00 0.00 179.45 176.85 1la6 n ASN 77 N -3.55 0.64 0.26 0.86 2.85 -1.16 -4.96 115.26 110.21 1la6 n ASN 77 Ca -0.00 -2.74 0.18 0.00 -0.11 0.00 0.00 54.58 51.91 1la6 n ASN 77 Cb 0.64 -0.63 0.80 0.00 1.24 0.00 0.00 39.78 41.83 1la6 n ASN 77 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 1la6 h MET 78 N 4.56 0.00 0.00 1.20 2.86 -1.62 -2.94 114.93 118.99 1la6 h MET 78 Ca 0.15 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.67 1la6 h MET 78 Cb 0.85 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.49 1la6 h MET 78 CO 0.50 0.00 -0.63 -0.44 1.06 0.00 0.00 176.91 177.41 1la6 h ASP 79 N 0.00 0.00 -0.45 1.22 3.32 -1.93 -3.31 116.42 115.27 1la6 h ASP 79 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1la6 h ASP 79 Cb 0.31 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.77 1la6 h ASP 79 CO 0.00 0.52 0.08 0.59 -1.72 0.00 0.00 179.24 178.71 1la6 n ASN 80 N -3.19 3.41 -0.33 6.45 4.13 -1.11 -4.46 115.26 120.16 1la6 n ASN 80 Ca 0.01 -3.44 0.19 0.00 1.68 0.00 0.00 54.58 53.02 1la6 n ASN 80 Cb 0.75 -0.65 0.40 0.00 -1.54 0.00 0.00 39.78 38.74 1la6 n ASN 80 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1la6 h ILE 81 N 1.50 0.40 -0.23 2.41 2.04 -1.64 -1.46 117.51 120.53 1la6 h ILE 81 Ca 0.20 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 1la6 h ILE 81 Cb 1.82 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1la6 h ILE 81 CO 0.46 0.07 0.13 0.00 0.00 0.00 0.00 178.15 178.82 1la6 h ALA 82 N 1.78 0.29 0.00 1.87 0.00 -1.88 -3.03 119.26 118.30 1la6 h ALA 82 Ca 0.66 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.52 1la6 h ALA 82 Cb 1.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1la6 h ALA 82 CO -0.56 -0.19 -0.07 -0.25 0.00 0.00 0.00 179.25 178.17 1la6 n ASP 83 N -4.89 0.75 0.19 0.00 9.92 -0.63 -3.63 116.55 118.26 1la6 n ASP 83 Ca -0.03 0.52 0.14 0.00 -0.53 0.00 0.00 54.79 54.88 1la6 n ASP 83 Cb 0.06 -0.67 0.46 0.00 -0.64 0.00 0.00 41.12 40.33 1la6 n ASP 83 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1la6 h ALA 84 N 2.55 1.00 -0.40 2.24 0.00 -1.21 -3.28 119.26 120.16 1la6 h ALA 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1la6 h ALA 84 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1la6 h ALA 84 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 1la6 n TYR 85 N -2.68 0.60 -0.14 0.00 4.02 -1.24 -4.70 117.16 113.03 1la6 n TYR 85 Ca 0.03 -0.53 -0.04 0.00 -0.01 0.00 0.00 57.90 57.35 1la6 n TYR 85 Cb 0.36 -0.05 0.03 0.00 -0.02 0.00 0.00 39.34 39.66 1la6 n TYR 85 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1la6 h THR 86 N 2.37 0.61 -0.65 -0.72 2.02 -1.75 0.31 112.91 115.10 1la6 h THR 86 Ca 0.00 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.17 1la6 h THR 86 Cb 0.84 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 1la6 h THR 86 CO 0.02 0.01 0.43 -2.24 0.37 0.00 0.00 175.52 174.11 1la6 h ASP 87 N 0.06 0.74 0.21 4.18 2.03 -1.88 -2.53 116.42 119.22 1la6 h ASP 87 Ca 0.22 -0.02 -0.21 0.00 -0.73 0.00 0.00 57.03 56.29 1la6 h ASP 87 Cb 0.33 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 38.64 1la6 h ASP 87 CO -0.41 0.53 -0.81 -0.07 -1.03 0.00 0.00 179.24 177.45 1la6 h LEU 88 N 0.87 0.58 -0.48 0.15 3.38 -1.71 -2.08 115.31 116.02 1la6 h LEU 88 Ca 0.24 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1la6 h LEU 88 Cb -0.09 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1la6 h LEU 88 CO -0.06 1.18 0.31 -1.28 0.09 0.00 0.00 178.44 178.68 1la6 h SER 89 N 0.31 0.52 -0.33 -0.43 0.87 -0.28 -1.40 113.55 112.80 1la6 h SER 89 Ca -0.05 -0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.33 1la6 h SER 89 Cb 1.42 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1la6 h SER 89 CO 0.14 0.37 -0.48 0.74 -0.53 0.00 0.00 176.83 177.08 1la6 h THR 90 N 0.62 1.27 0.76 2.23 2.02 -1.48 -1.95 112.91 116.39 1la6 h THR 90 Ca 0.18 -1.66 -0.03 0.00 0.77 0.00 0.00 66.41 65.68 1la6 h THR 90 Cb -0.03 1.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1la6 h THR 90 CO -0.06 0.55 -0.44 0.25 0.37 0.00 0.00 175.52 176.19 1la6 h LEU 91 N 0.72 -1.09 -1.49 2.58 5.85 -1.05 0.12 115.31 120.94 1la6 h LEU 91 Ca 0.04 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1la6 h LEU 91 Cb 1.08 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 1la6 h LEU 91 CO 0.11 -0.69 0.22 0.45 -0.34 0.00 0.00 178.44 178.19 1la6 h HIS 92 N -1.12 0.54 0.00 1.25 3.86 -1.33 0.14 115.15 118.50 1la6 h HIS 92 Ca -0.10 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1la6 h HIS 92 Cb 0.89 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.18 1la6 h HIS 92 CO -0.08 0.39 0.00 0.45 0.86 0.00 0.00 177.93 179.55 1la6 n SER 93 N -4.43 0.00 -0.10 2.45 2.88 -0.73 -0.09 113.62 113.60 1la6 n SER 93 Ca 0.03 0.31 -0.10 0.00 -1.33 0.00 0.00 58.87 57.78 1la6 n SER 93 Cb 0.10 -0.24 -0.03 0.00 -0.75 0.00 0.00 64.21 63.29 1la6 n SER 93 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1la6 h GLU 94 N 0.00 0.47 0.00 -1.46 4.57 -0.88 -1.34 114.58 115.94 1la6 h GLU 94 Ca 0.00 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.02 1la6 h GLU 94 Cb 0.00 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1la6 h GLU 94 CO 0.00 0.53 -0.34 -0.22 -1.18 0.00 0.00 179.01 177.80 1la6 h LYS 95 N 0.32 0.00 0.00 1.92 3.64 -1.25 -3.39 116.57 117.81 1la6 h LYS 95 Ca 0.09 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 1la6 h LYS 95 Cb 0.26 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1la6 h LYS 95 CO -0.00 0.58 -0.59 -0.07 -2.27 0.00 0.00 179.45 177.10 1la6 h LEU 96 N -1.00 0.00 -0.40 5.20 4.07 -0.79 -3.48 115.31 118.91 1la6 h LEU 96 Ca -0.07 0.00 -0.40 0.00 0.08 0.00 0.00 57.88 57.48 1la6 h LEU 96 Cb 0.72 0.00 0.12 0.00 1.08 0.00 0.00 40.66 42.57 1la6 h LEU 96 CO -0.05 0.59 -0.67 1.41 -1.08 0.00 0.00 178.44 178.65 1la6 n HIS 97 N -3.32 -2.66 -2.45 1.13 8.25 0.87 -4.95 115.22 112.08 1la6 n HIS 97 Ca 0.01 0.90 -0.42 0.00 -0.26 0.00 0.00 57.72 57.94 1la6 n HIS 97 Cb 0.73 -4.89 -0.03 0.00 1.12 0.00 0.00 29.99 26.93 1la6 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1la6 s VAL 98 N -3.29 4.27 0.22 1.59 1.01 0.02 -4.97 120.40 119.25 1la6 s VAL 98 Ca 0.52 1.58 -0.31 0.00 0.00 0.00 0.00 61.98 63.77 1la6 s VAL 98 Cb -0.23 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.03 1la6 s VAL 98 CO 0.65 -0.04 1.50 -1.81 0.00 0.00 0.00 175.10 175.40 1la6 s ASP 99 N 1.61 6.60 0.41 3.32 1.11 -1.26 -4.73 116.67 123.73 1la6 s ASP 99 Ca 0.55 2.68 0.17 0.00 0.18 0.00 0.00 52.55 56.13 1la6 s ASP 99 Cb -0.24 -2.61 1.06 0.00 1.07 0.00 0.00 42.92 42.20 1la6 s ASP 99 CO 0.20 -0.77 1.86 1.55 1.18 0.00 0.00 175.17 179.19 1la6 h PRO 100 N 5.70 0.42 -0.10 8.23 0.13 -1.98 -1.82 132.00 142.59 1la6 h PRO 100 Ca -0.45 -0.02 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 1la6 h PRO 100 Cb 1.21 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1la6 h PRO 100 CO 0.83 0.27 0.10 0.22 -0.23 0.00 0.00 178.00 179.20 1la6 h ASP 101 N 0.43 0.00 0.83 1.44 3.58 -2.02 -1.65 116.42 119.03 1la6 h ASP 101 Ca 0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.91 1la6 h ASP 101 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1la6 h ASP 101 CO -0.17 0.00 0.00 0.78 -2.88 0.00 0.00 179.24 176.97 1la6 h ASN 102 N 0.00 0.00 0.04 2.28 2.35 -1.70 -2.54 115.58 116.01 1la6 h ASN 102 Ca 0.05 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.64 1la6 h ASN 102 Cb 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1la6 h ASN 102 CO -0.00 0.00 -0.56 -0.26 -1.65 0.00 0.00 177.43 174.96 1la6 h PHE 103 N 0.00 0.68 -0.21 1.19 0.04 -1.48 -2.10 116.94 115.07 1la6 h PHE 103 Ca 0.00 -0.24 -0.17 0.00 2.80 0.00 0.00 57.97 60.36 1la6 h PHE 103 Cb 0.42 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.44 1la6 h PHE 103 CO 0.00 0.97 -0.56 -0.22 -0.60 0.00 0.00 178.31 177.90 1la6 h LYS 104 N 0.41 0.65 -0.34 1.51 3.11 -1.60 -1.77 116.57 118.55 1la6 h LYS 104 Ca 0.01 -0.42 -0.01 0.00 -2.81 0.00 0.00 60.65 57.42 1la6 h LYS 104 Cb 1.10 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 32.36 1la6 h LYS 104 CO 0.10 1.03 0.16 -0.07 -2.81 0.00 0.00 179.45 177.87 1la6 h LEU 105 N 0.50 0.44 -0.34 5.20 3.38 -1.36 -2.03 115.31 121.09 1la6 h LEU 105 Ca 0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1la6 h LEU 105 Cb 1.13 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1la6 h LEU 105 CO 0.11 0.45 0.15 0.25 0.09 0.00 0.00 178.44 179.49 1la6 h LEU 106 N 0.41 0.46 -0.73 1.67 5.85 -1.34 -2.41 115.31 119.21 1la6 h LEU 106 Ca 0.12 -0.14 0.14 0.00 0.84 0.00 0.00 57.88 58.83 1la6 h LEU 106 Cb 0.12 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 40.94 1la6 h LEU 106 CO -0.01 0.47 0.27 0.28 -0.34 0.00 0.00 178.44 179.11 1la6 h SER 107 N 0.41 0.24 -0.61 1.25 0.02 -1.11 0.74 113.55 114.49 1la6 h SER 107 Ca 0.12 0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 61.11 1la6 h SER 107 Cb 0.15 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 1la6 h SER 107 CO -0.01 0.09 0.14 0.44 -1.14 0.00 0.00 176.83 176.35 1la6 h ASP 108 N 0.41 0.95 -0.26 3.07 3.32 -1.00 -1.21 116.42 121.70 1la6 h ASP 108 Ca 0.40 -0.20 -0.10 0.00 0.02 0.00 0.00 57.03 57.16 1la6 h ASP 108 Cb 0.60 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1la6 h ASP 108 CO -0.40 0.93 -0.16 0.00 -1.72 0.00 0.00 179.24 177.89 1la6 h ILE 110 N 0.63 1.23 -0.59 0.00 2.04 -0.53 -0.88 117.51 119.40 1la6 h ILE 110 Ca 0.10 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 1la6 h ILE 110 Cb 0.62 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1la6 h ILE 110 CO 0.04 0.28 0.34 0.74 0.00 0.00 0.00 178.15 179.55 1la6 h THR 111 N 0.73 1.19 -0.37 -0.27 2.02 -0.67 -0.59 112.91 114.94 1la6 h THR 111 Ca 0.17 -0.46 -0.11 0.00 0.77 0.00 0.00 66.41 66.79 1la6 h THR 111 Cb 0.25 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1la6 h THR 111 CO -0.01 0.20 -0.21 0.40 0.37 0.00 0.00 175.52 176.27 1la6 h ILE 112 N 0.80 1.27 -0.26 3.11 2.04 -0.86 -0.81 117.51 122.80 1la6 h ILE 112 Ca 0.21 -1.30 -0.11 0.00 1.00 0.00 0.00 64.86 64.66 1la6 h ILE 112 Cb 0.02 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1la6 h ILE 112 CO -0.04 0.43 -0.25 0.58 0.00 0.00 0.00 178.15 178.87 1la6 h VAL 113 N 0.63 1.31 -0.63 1.67 2.07 -0.94 -2.13 116.25 118.22 1la6 h VAL 113 Ca 0.09 -1.42 -0.06 0.00 0.82 0.00 0.00 66.70 66.14 1la6 h VAL 113 Cb 0.70 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 1la6 h VAL 113 CO 0.05 0.45 0.16 0.25 0.02 0.00 0.00 177.57 178.50 1la6 h LEU 114 N 0.36 0.93 -0.90 2.57 5.85 -0.99 -2.23 115.31 120.90 1la6 h LEU 114 Ca 0.04 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1la6 h LEU 114 Cb 0.81 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 1la6 h LEU 114 CO 0.06 0.89 0.54 0.00 -0.34 0.00 0.00 178.44 179.60 1la6 h ALA 115 N 1.23 1.14 -0.29 1.25 0.00 -0.98 -0.62 119.26 121.00 1la6 h ALA 115 Ca 0.20 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1la6 h ALA 115 Cb 0.32 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1la6 h ALA 115 CO -0.00 0.60 -0.16 0.00 0.00 0.00 0.00 179.25 179.69 1la6 h ALA 116 N 1.30 1.19 -0.02 0.00 0.00 -0.83 -0.08 119.26 120.82 1la6 h ALA 116 Ca 0.32 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1la6 h ALA 116 Cb -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1la6 h ALA 116 CO -0.06 0.52 -0.27 -0.22 0.00 0.00 0.00 179.25 179.21 1la6 h LYS 117 N 0.47 0.22 0.00 0.00 3.64 -1.02 -3.32 116.57 116.55 1la6 h LYS 117 Ca 0.08 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1la6 h LYS 117 Cb 0.55 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1la6 h LYS 117 CO 0.03 0.91 -0.06 0.52 -2.27 0.00 0.00 179.45 178.59 1la6 h MET 118 N -0.39 0.00 0.00 1.90 2.86 -1.10 -3.49 114.93 114.71 1la6 h MET 118 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1la6 h MET 118 Cb 0.99 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.65 1la6 h MET 118 CO 0.05 0.06 0.00 0.41 1.06 0.00 0.00 176.91 178.49 1la6 n GLY 119 N 0.82 3.14 0.08 8.32 0.00 -0.05 -1.61 105.19 115.89 1la6 n GLY 119 Ca 0.03 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 45.96 1la6 n GLY 119 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1la6 n HIS 120 N 14.00 0.43 0.46 1.61 8.25 -1.26 -1.40 115.22 137.30 1la6 n HIS 120 Ca 0.00 0.19 0.13 0.00 -0.26 0.00 0.00 57.72 57.78 1la6 n HIS 120 Cb 0.00 -0.80 0.44 0.00 1.12 0.00 0.00 29.99 30.74 1la6 n HIS 120 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1la6 h ALA 121 N 2.23 1.00 -0.70 -1.41 0.00 -1.69 -3.34 119.26 115.35 1la6 h ALA 121 Ca 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 54.91 54.17 1la6 h ALA 121 Cb 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.87 1la6 h ALA 121 CO 0.00 0.00 2.31 0.34 0.00 0.00 0.00 179.25 181.90 1la6 n PHE 122 N -2.46 3.39 -1.05 0.00 7.35 -0.49 -4.91 117.46 119.29 1la6 n PHE 122 Ca 0.04 -2.90 -0.29 0.00 -0.76 0.00 0.00 57.45 53.54 1la6 n PHE 122 Cb 0.36 -2.19 0.19 0.00 0.35 0.00 0.00 39.48 38.20 1la6 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1la6 s THR 123 N 1.53 2.05 0.23 -2.13 -4.23 -1.25 -4.73 115.64 107.10 1la6 s THR 123 Ca 0.43 0.01 -0.08 0.00 -1.18 0.00 0.00 61.69 60.88 1la6 s THR 123 Cb 0.10 -2.42 0.20 0.00 1.34 0.00 0.00 72.50 71.71 1la6 s THR 123 CO -0.02 -0.02 1.88 0.00 -0.54 0.00 0.00 174.62 175.92 1la6 h ALA 124 N -2.06 1.10 -0.70 3.99 0.00 -1.94 0.64 119.26 120.31 1la6 h ALA 124 Ca -0.56 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 1la6 h ALA 124 Cb 1.33 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1la6 h ALA 124 CO 0.56 0.40 0.27 1.49 0.00 0.00 0.00 179.25 181.97 1la6 h GLU 125 N 1.08 1.03 -0.40 0.00 4.81 -1.98 0.22 114.58 119.33 1la6 h GLU 125 Ca 0.33 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 1la6 h GLU 125 Cb -0.02 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1la6 h GLU 125 CO -0.10 0.84 -0.10 1.15 -0.73 0.00 0.00 179.01 180.07 1la6 h THR 126 N 1.01 1.28 -0.63 0.32 2.02 -1.68 -2.39 112.91 112.83 1la6 h THR 126 Ca 0.23 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.22 1la6 h THR 126 Cb 0.21 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 1la6 h THR 126 CO -0.02 0.40 0.38 -0.61 0.37 0.00 0.00 175.52 176.03 1la6 h GLN 127 N 0.58 0.85 0.18 6.66 4.15 -0.19 -1.56 115.11 125.79 1la6 h GLN 127 Ca 0.10 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1la6 h GLN 127 Cb 0.62 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 1la6 h GLN 127 CO 0.04 0.61 -0.15 0.78 -1.93 0.00 0.00 178.83 178.18 1la6 h GLY 128 N 0.85 -0.35 0.89 2.39 0.00 -0.42 0.12 103.07 106.56 1la6 h GLY 128 Ca 0.22 0.17 0.02 0.00 0.00 0.00 0.00 47.33 47.75 1la6 h GLY 128 CO -0.04 -0.16 0.31 0.00 0.00 0.00 0.00 176.54 176.66 1la6 h ALA 129 N 0.43 0.66 -0.56 3.60 0.00 -1.29 -1.04 119.26 121.06 1la6 h ALA 129 Ca -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1la6 h ALA 129 Cb 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1la6 h ALA 129 CO -0.02 0.03 0.21 0.35 0.00 0.00 0.00 179.25 179.81 1la6 h PHE 130 N 0.63 0.86 -0.54 0.00 -0.00 -1.10 -0.77 116.94 116.02 1la6 h PHE 130 Ca 0.21 -0.07 -0.09 0.00 -0.00 0.00 0.00 57.97 58.02 1la6 h PHE 130 Cb 0.01 -0.26 -0.02 0.00 -0.00 0.00 0.00 35.95 35.68 1la6 h PHE 130 CO -0.06 0.71 -0.02 0.37 -0.00 0.00 0.00 178.31 179.31 1la6 h GLN 131 N 0.77 0.94 -0.70 1.11 -0.00 -0.39 -0.43 115.11 116.40 1la6 h GLN 131 Ca 0.18 -0.28 -0.05 0.00 -0.00 0.00 0.00 58.65 58.50 1la6 h GLN 131 Cb 0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 27.48 27.58 1la6 h GLN 131 CO -0.01 0.94 0.25 -0.22 0.00 0.00 0.00 178.83 179.78 1la6 h LYS 132 N 0.86 1.06 -0.06 1.69 3.64 -0.94 0.23 116.57 123.04 1la6 h LYS 132 Ca 0.16 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1la6 h LYS 132 Cb 0.53 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1la6 h LYS 132 CO 0.03 0.90 0.04 0.35 -2.27 0.00 0.00 179.45 178.49 1la6 h PHE 133 N 1.01 0.09 -0.28 1.91 3.57 -0.70 -1.58 116.94 120.95 1la6 h PHE 133 Ca 0.23 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 1la6 h PHE 133 Cb 0.25 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1la6 h PHE 133 CO 0.02 0.12 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.98 1la6 h LEU 134 N 0.03 0.48 -0.76 0.59 3.38 -0.72 -1.89 115.31 116.43 1la6 h LEU 134 Ca 0.02 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1la6 h LEU 134 Cb 0.06 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1la6 h LEU 134 CO -0.00 0.67 0.36 0.00 0.09 0.00 0.00 178.44 179.55 1la6 h ALA 135 N 1.38 0.98 -0.64 1.53 0.00 -0.24 0.11 119.26 122.38 1la6 h ALA 135 Ca 0.08 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1la6 h ALA 135 Cb 0.54 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1la6 h ALA 135 CO 0.03 0.56 0.19 0.00 0.00 0.00 0.00 179.25 180.03 1la6 h ALA 136 N 1.18 0.84 -0.28 0.00 0.00 -0.89 -1.60 119.26 118.51 1la6 h ALA 136 Ca 0.26 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1la6 h ALA 136 Cb 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1la6 h ALA 136 CO -0.03 0.53 -0.15 0.28 0.00 0.00 0.00 179.25 179.88 1la6 h VAL 137 N 0.93 1.30 -0.57 0.00 2.07 -0.86 -2.38 116.25 116.74 1la6 h VAL 137 Ca 0.21 -1.25 0.05 0.00 0.82 0.00 0.00 66.70 66.52 1la6 h VAL 137 Cb 0.31 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 1la6 h VAL 137 CO -0.00 0.40 0.31 0.58 0.02 0.00 0.00 177.57 178.87 1la6 h VAL 138 N 0.34 0.98 -0.21 2.57 2.07 -0.59 -0.40 116.25 121.00 1la6 h VAL 138 Ca 0.06 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1la6 h VAL 138 Cb 0.67 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1la6 h VAL 138 CO 0.04 0.11 0.14 0.28 0.02 0.00 0.00 177.57 178.16 1la6 h SER 139 N 0.59 0.25 -0.45 0.57 0.02 -1.26 -1.32 113.55 111.95 1la6 h SER 139 Ca 0.25 -0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.25 1la6 h SER 139 Cb 0.13 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1la6 h SER 139 CO -0.15 0.19 0.30 0.00 -1.14 0.00 0.00 176.83 176.03 1la6 h ALA 140 N 1.07 2.00 0.00 3.77 0.00 -0.84 0.68 119.26 125.95 1la6 h ALA 140 Ca 0.08 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1la6 h ALA 140 Cb -0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1la6 h ALA 140 CO -0.02 -0.09 -0.68 -0.07 0.00 0.00 0.00 179.25 178.39 1la6 h LEU 141 N 0.32 0.00 -0.22 0.00 3.38 -0.10 -3.11 115.31 115.58 1la6 h LEU 141 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1la6 h LEU 141 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1la6 h LEU 141 CO -0.05 0.68 -0.51 0.61 0.09 0.00 0.00 178.44 179.26 1la6 n GLY 142 N 0.86 -0.92 0.00 0.83 0.00 -0.55 -4.55 105.19 100.86 1la6 n GLY 142 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1la6 n GLY 142 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49