#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1la6 s LEU 2 N 0.00 4.45 0.74 1.04 1.43 -1.26 -5.05 118.68 120.02 1la6 s LEU 2 Ca 0.00 1.80 -0.05 0.00 -1.03 0.00 0.00 54.13 54.85 1la6 s LEU 2 Cb 0.00 -3.58 0.11 0.00 0.03 0.00 0.00 46.19 42.74 1la6 s LEU 2 CO 0.00 -0.17 1.03 -0.94 0.23 0.00 0.00 176.35 176.50 1la6 s SER 3 N 0.38 4.40 0.33 2.29 1.04 -1.26 -4.88 113.70 116.00 1la6 s SER 3 Ca 0.50 0.06 0.06 0.00 0.48 0.00 0.00 55.95 57.05 1la6 s SER 3 Cb -0.24 -0.54 0.58 0.00 0.10 0.00 0.00 66.02 65.93 1la6 s SER 3 CO 0.30 -1.84 1.82 0.44 0.98 0.00 0.00 173.24 174.94 1la6 h ASP 4 N -0.67 0.37 -0.60 7.02 3.45 -1.99 -0.65 116.42 123.35 1la6 h ASP 4 Ca -0.41 -0.10 -0.07 0.00 0.43 0.00 0.00 57.03 56.88 1la6 h ASP 4 Cb 1.28 -0.10 -0.03 0.00 -0.56 0.00 0.00 39.33 39.92 1la6 h ASP 4 CO 0.48 0.57 0.13 0.50 -1.57 0.00 0.00 179.24 179.35 1la6 h LYS 5 N 0.36 1.00 -0.32 3.56 3.64 -1.99 -0.88 116.57 121.93 1la6 h LYS 5 Ca 0.06 -0.24 -0.06 0.00 -1.27 0.00 0.00 60.65 59.15 1la6 h LYS 5 Cb 0.51 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1la6 h LYS 5 CO 0.03 0.91 -0.02 -0.44 -2.27 0.00 0.00 179.45 177.65 1la6 h ASP 6 N 0.95 0.57 -0.73 4.20 3.45 -1.67 -1.72 116.42 121.48 1la6 h ASP 6 Ca 0.20 -0.33 -0.04 0.00 0.43 0.00 0.00 57.03 57.29 1la6 h ASP 6 Cb 0.37 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 38.95 1la6 h ASP 6 CO 0.00 0.76 0.29 0.11 -1.57 0.00 0.00 179.24 178.84 1la6 h LYS 7 N 0.37 1.11 -0.42 3.56 1.57 -0.92 -1.10 116.57 120.74 1la6 h LYS 7 Ca 0.09 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 1la6 h LYS 7 Cb 0.48 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1la6 h LYS 7 CO 0.02 0.90 0.01 0.00 -0.57 0.00 0.00 179.45 179.81 1la6 h ALA 8 N 1.23 0.56 -0.57 3.86 0.00 -1.06 -1.32 119.26 121.97 1la6 h ALA 8 Ca 0.25 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1la6 h ALA 8 Cb 0.21 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1la6 h ALA 8 CO -0.02 0.34 0.29 0.00 0.00 0.00 0.00 179.25 179.86 1la6 h ALA 9 N 0.90 0.73 -0.51 0.00 0.00 -0.93 0.12 119.26 119.56 1la6 h ALA 9 Ca 0.12 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1la6 h ALA 9 Cb 0.47 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1la6 h ALA 9 CO 0.02 0.27 -0.13 0.28 0.00 0.00 0.00 179.25 179.70 1la6 h VAL 10 N 0.76 1.27 -0.42 0.00 2.07 -1.10 -0.48 116.25 118.34 1la6 h VAL 10 Ca 0.20 -1.28 -0.09 0.00 0.82 0.00 0.00 66.70 66.34 1la6 h VAL 10 Cb 0.09 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1la6 h VAL 10 CO -0.03 0.45 -0.10 0.03 0.02 0.00 0.00 177.57 177.94 1la6 h ARG 11 N 0.86 0.81 -0.41 1.57 3.08 -0.96 0.96 114.38 120.29 1la6 h ARG 11 Ca 0.13 -0.31 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 1la6 h ARG 11 Cb 0.70 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1la6 h ARG 11 CO 0.05 0.93 0.16 0.00 -1.07 0.00 0.00 179.97 180.04 1la6 h ALA 12 N 0.86 0.53 -0.29 0.04 0.00 -0.65 0.18 119.26 119.92 1la6 h ALA 12 Ca 0.11 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1la6 h ALA 12 Cb 0.63 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1la6 h ALA 12 CO 0.04 0.14 -0.01 1.25 0.00 0.00 0.00 179.25 180.67 1la6 h LEU 13 N 0.52 0.52 -1.42 0.00 5.85 -1.01 -2.62 115.31 117.14 1la6 h LEU 13 Ca 0.14 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1la6 h LEU 13 Cb 0.20 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1la6 h LEU 13 CO -0.01 0.71 0.36 -0.25 -0.34 0.00 0.00 178.44 178.91 1la6 h TRP 14 N 0.31 0.71 -0.92 1.25 2.91 -0.64 -0.34 115.95 119.24 1la6 h TRP 14 Ca 0.08 0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.14 1la6 h TRP 14 Cb 0.45 -0.24 -0.05 0.00 -0.51 0.00 0.00 29.16 28.81 1la6 h TRP 14 CO 0.04 0.46 0.61 1.03 -1.03 0.00 0.00 178.44 179.55 1la6 h SER 15 N 0.76 1.01 0.18 2.65 0.87 -0.63 0.19 113.55 118.59 1la6 h SER 15 Ca 0.20 -0.02 -0.26 0.00 -1.23 0.00 0.00 61.79 60.49 1la6 h SER 15 Cb -0.07 -0.24 0.03 0.00 -0.44 0.00 0.00 62.40 61.68 1la6 h SER 15 CO -0.04 0.71 -1.14 0.11 -0.53 0.00 0.00 176.83 175.94 1la6 h LYS 16 N 1.18 0.44 0.00 2.24 1.57 -0.78 -3.39 116.57 117.84 1la6 h LYS 16 Ca 0.36 -0.73 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1la6 h LYS 16 Cb -0.03 0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1la6 h LYS 16 CO -0.10 1.34 -1.32 0.44 -0.57 0.00 0.00 179.45 179.25 1la6 n ILE 17 N -3.92 0.20 -0.35 1.86 -5.35 -0.29 -4.44 119.36 107.06 1la6 n ILE 17 Ca -0.15 -0.36 0.30 0.00 -0.27 0.00 0.00 62.75 62.27 1la6 n ILE 17 Cb 0.96 0.09 0.63 0.00 -1.74 0.00 0.00 39.64 39.58 1la6 n ILE 17 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1la6 h GLY 18 N 4.30 0.76 1.75 3.28 0.00 -0.82 -0.58 103.07 111.76 1la6 h GLY 18 Ca 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.25 1la6 h GLY 18 CO 0.00 -0.12 0.09 0.07 0.00 0.00 0.00 176.54 176.58 1la6 h LYS 19 N 0.20 0.00 -0.62 4.80 2.10 -1.82 -1.71 116.57 119.51 1la6 h LYS 19 Ca 0.63 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 59.13 1la6 h LYS 19 Cb 2.00 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 33.24 1la6 h LYS 19 CO -0.20 0.00 0.17 0.43 -2.00 0.00 0.00 179.45 177.85 1la6 n SER 20 N -4.45 4.70 -0.16 7.07 7.64 -0.23 -4.69 113.62 123.50 1la6 n SER 20 Ca -0.00 -3.19 0.07 0.00 1.01 0.00 0.00 58.87 56.75 1la6 n SER 20 Cb 0.21 -0.70 0.38 0.00 -1.01 0.00 0.00 64.21 63.08 1la6 n SER 20 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1la6 h SER 21 N 2.64 0.62 -0.66 6.43 4.64 -1.37 -1.49 113.55 124.36 1la6 h SER 21 Ca 0.19 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.48 1la6 h SER 21 Cb 2.12 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 64.05 1la6 h SER 21 CO 0.61 0.40 0.28 0.44 -0.87 0.00 0.00 176.83 177.69 1la6 h ASP 22 N 0.70 0.90 -0.39 4.97 3.45 -1.85 -0.29 116.42 123.91 1la6 h ASP 22 Ca 0.30 -0.16 -0.15 0.00 0.43 0.00 0.00 57.03 57.44 1la6 h ASP 22 Cb 0.27 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.80 1la6 h ASP 22 CO -0.10 0.81 -0.35 0.00 -1.57 0.00 0.00 179.24 178.03 1la6 h ALA 23 N 1.12 0.61 -0.38 3.45 0.00 -1.76 -2.21 119.26 120.09 1la6 h ALA 23 Ca 0.22 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1la6 h ALA 23 Cb 0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1la6 h ALA 23 CO -0.02 0.68 0.10 0.82 0.00 0.00 0.00 179.25 180.83 1la6 h ILE 24 N 0.78 1.22 -0.29 0.00 2.04 -1.04 -1.25 117.51 118.96 1la6 h ILE 24 Ca 0.07 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1la6 h ILE 24 Cb 0.94 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1la6 h ILE 24 CO 0.09 0.26 0.13 1.23 0.00 0.00 0.00 178.15 179.86 1la6 h GLY 25 N 0.47 0.45 1.00 5.37 0.00 -1.05 0.05 103.07 109.36 1la6 h GLY 25 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1la6 h GLY 25 CO -0.00 0.22 0.12 -0.57 0.00 0.00 0.00 176.54 176.31 1la6 h ASN 26 N 0.33 0.22 -0.44 0.19 -1.24 -1.31 -1.79 115.58 111.54 1la6 h ASN 26 Ca 0.10 -0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.06 1la6 h ASN 26 Cb 0.13 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 1la6 h ASN 26 CO -0.01 0.16 0.14 -0.78 -1.29 0.00 0.00 177.43 175.65 1la6 h ASP 27 N 0.25 0.63 -0.71 1.15 -0.00 -1.09 -1.12 116.42 115.55 1la6 h ASP 27 Ca 0.07 -0.20 -0.05 0.00 -0.00 0.00 0.00 57.03 56.84 1la6 h ASP 27 Cb -0.02 -0.17 -0.03 0.00 -0.00 0.00 0.00 39.33 39.11 1la6 h ASP 27 CO -0.01 0.67 0.24 0.00 -0.00 0.00 0.00 179.24 180.13 1la6 h ALA 28 N 0.99 0.92 -0.33 -0.78 0.00 -0.86 -1.06 119.26 118.14 1la6 h ALA 28 Ca 0.14 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1la6 h ALA 28 Cb 0.26 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1la6 h ALA 28 CO -0.00 0.58 -0.48 -0.07 0.00 0.00 0.00 179.25 179.28 1la6 h LEU 29 N 1.03 0.98 0.02 0.00 3.38 -1.23 -2.08 115.31 117.41 1la6 h LEU 29 Ca 0.23 -0.49 0.02 0.00 0.09 0.00 0.00 57.88 57.73 1la6 h LEU 29 Cb 0.27 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1la6 h LEU 29 CO -0.01 1.29 -0.16 0.28 0.09 0.00 0.00 178.44 179.93 1la6 h SER 30 N 0.71 -0.47 -0.46 -0.43 0.02 -0.86 -1.48 113.55 110.59 1la6 h SER 30 Ca 0.04 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1la6 h SER 30 Cb 1.08 0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.78 1la6 h SER 30 CO 0.11 -0.23 0.27 0.03 -1.14 0.00 0.00 176.83 175.88 1la6 h ARG 31 N -0.28 0.53 -0.68 3.45 3.08 -1.18 -1.56 114.38 117.75 1la6 h ARG 31 Ca 0.05 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.11 1la6 h ARG 31 Cb 0.33 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 1la6 h ARG 31 CO -0.14 0.35 0.40 1.98 -1.07 0.00 0.00 179.97 181.49 1la6 h MET 32 N 0.54 0.75 -0.52 0.04 4.05 -1.08 0.30 114.93 119.01 1la6 h MET 32 Ca 0.18 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 1la6 h MET 32 Cb 0.01 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.62 1la6 h MET 32 CO -0.08 0.49 0.25 0.82 0.23 0.00 0.00 176.91 178.63 1la6 h ILE 33 N 0.77 1.19 0.00 1.77 5.03 -0.88 0.42 117.51 125.82 1la6 h ILE 33 Ca 0.29 -0.54 -0.03 0.00 -0.12 0.00 0.00 64.86 64.46 1la6 h ILE 33 Cb 0.10 0.59 0.00 0.00 -3.03 0.00 0.00 36.82 34.49 1la6 h ILE 33 CO -0.14 0.22 -0.10 0.58 -0.68 0.00 0.00 178.15 178.02 1la6 h VAL 34 N 0.70 1.62 -0.00 1.67 2.07 -0.84 -3.29 116.25 118.17 1la6 h VAL 34 Ca 0.18 -1.94 -0.16 0.00 0.82 0.00 0.00 66.70 65.59 1la6 h VAL 34 Cb 0.11 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 1la6 h VAL 34 CO -0.02 0.51 -0.78 0.58 0.02 0.00 0.00 177.57 177.89 1la6 h VAL 35 N -0.70 1.55 -2.43 2.57 2.07 -0.47 -3.37 116.25 115.46 1la6 h VAL 35 Ca -0.01 -2.64 -0.60 0.00 0.82 0.00 0.00 66.70 64.28 1la6 h VAL 35 Cb 0.90 2.42 -0.41 0.00 -1.52 0.00 0.00 31.29 32.69 1la6 h VAL 35 CO 0.02 0.75 -0.77 -1.22 0.02 0.00 0.00 177.57 176.37 1la6 n TYR 36 N -3.63 1.80 -0.32 1.57 4.02 0.14 -4.98 117.16 115.76 1la6 n TYR 36 Ca -0.01 -3.91 0.36 0.00 -0.01 0.00 0.00 57.90 54.33 1la6 n TYR 36 Cb 0.75 -0.37 0.74 0.00 -0.02 0.00 0.00 39.34 40.43 1la6 n TYR 36 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1la6 h PRO 37 N 4.76 0.00 0.00 -0.72 0.11 -1.73 -1.15 132.00 133.27 1la6 h PRO 37 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1la6 h PRO 37 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1la6 h PRO 37 CO 0.63 0.00 0.00 -0.56 -0.21 0.00 0.00 178.00 177.86 1la6 h GLN 38 N 0.00 0.00 0.00 1.05 -0.00 -1.91 -1.82 115.11 112.43 1la6 h GLN 38 Ca 0.57 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 59.18 1la6 h GLN 38 Cb 2.40 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 29.88 1la6 h GLN 38 CO -0.01 0.00 -0.21 1.79 -0.00 0.00 0.00 178.83 180.40 1la6 h THR 39 N 0.00 0.43 -1.00 1.86 1.35 -1.52 -3.28 112.91 110.75 1la6 h THR 39 Ca 0.00 -1.30 0.20 0.00 -0.55 0.00 0.00 66.41 64.76 1la6 h THR 39 Cb 0.23 1.96 -0.11 0.00 -1.73 0.00 0.00 68.15 68.51 1la6 h THR 39 CO 0.00 0.21 0.61 0.11 -0.25 0.00 0.00 175.52 176.20 1la6 h LYS 40 N 0.00 0.70 -0.62 4.72 1.57 -1.51 -1.90 116.57 119.53 1la6 h LYS 40 Ca -0.00 -0.04 0.18 0.00 -1.87 0.00 0.00 60.65 58.92 1la6 h LYS 40 Cb 0.95 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 1la6 h LYS 40 CO 0.03 0.46 0.51 0.97 -0.57 0.00 0.00 179.45 180.85 1la6 h ILE 41 N 0.72 0.54 0.00 1.86 6.09 -1.75 0.40 117.51 125.37 1la6 h ILE 41 Ca 0.58 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 64.06 1la6 h ILE 41 Cb 0.96 0.63 -0.00 0.00 0.47 0.00 0.00 36.82 38.88 1la6 h ILE 41 CO -0.38 0.00 -0.05 1.88 -3.07 0.00 0.00 178.15 176.53 1la6 h TYR 42 N 0.00 0.00 -0.17 2.19 0.05 -1.61 -2.95 116.97 114.49 1la6 h TYR 42 Ca 0.30 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.08 1la6 h TYR 42 Cb 1.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.04 1la6 h TYR 42 CO 0.00 0.05 0.00 1.19 -1.05 0.00 0.00 178.16 178.35 1la6 n PHE 43 N -3.15 0.54 0.30 4.88 3.01 0.11 -4.68 117.46 118.48 1la6 n PHE 43 Ca 0.01 -0.87 0.17 0.00 1.01 0.00 0.00 57.45 57.78 1la6 n PHE 43 Cb 0.39 -0.22 0.98 0.00 -0.01 0.00 0.00 39.48 40.61 1la6 n PHE 43 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1la6 h SER 44 N 1.13 0.00 0.37 4.37 4.64 -1.32 -1.33 113.55 121.41 1la6 h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1la6 h SER 44 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1la6 h SER 44 CO 0.12 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.10 1la6 n HIS 45 N -3.57 0.00 -3.50 4.77 1.44 -1.26 -4.74 115.22 108.36 1la6 n HIS 45 Ca -0.03 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.34 1la6 n HIS 45 Cb 0.11 -0.23 -0.06 0.00 0.12 0.00 0.00 29.99 29.93 1la6 n HIS 45 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1la6 s TRP 46 N -2.47 3.58 0.13 -1.40 0.51 -0.50 -5.00 118.94 113.79 1la6 s TRP 46 Ca 0.25 0.88 -0.10 0.00 -2.12 0.00 0.00 56.10 55.00 1la6 s TRP 46 Cb 0.16 -2.23 -0.07 0.00 -0.81 0.00 0.00 33.47 30.53 1la6 s TRP 46 CO 0.35 0.48 1.40 -1.00 -0.51 0.00 0.00 176.95 177.67 1la6 h PRO 47 N 3.61 0.82 -4.70 4.98 0.13 -1.87 -3.41 132.00 131.55 1la6 h PRO 47 Ca -0.49 -0.54 -0.68 0.00 -0.87 0.00 0.00 66.00 63.42 1la6 h PRO 47 Cb 1.19 0.07 -0.36 0.00 0.13 0.00 0.00 31.00 32.03 1la6 h PRO 47 CO 0.66 1.17 -0.70 0.34 -0.23 0.00 0.00 178.00 179.25 1la6 s ASP 48 N -6.97 4.83 -0.43 1.44 2.15 -1.26 -4.95 116.67 111.48 1la6 s ASP 48 Ca -0.10 -1.75 0.04 0.00 0.43 0.00 0.00 52.55 51.17 1la6 s ASP 48 Cb 0.10 -1.67 0.44 0.00 -0.30 0.00 0.00 42.92 41.49 1la6 s ASP 48 CO 0.89 -0.35 1.38 0.52 -0.17 0.00 0.00 175.17 177.44 1la6 n VAL 49 N 4.45 2.76 -4.13 1.11 0.31 -1.26 -4.50 118.33 117.07 1la6 n VAL 49 Ca -0.05 -4.15 -0.25 0.00 -0.01 0.00 0.00 64.34 59.88 1la6 n VAL 49 Cb 0.42 -1.18 -0.06 0.00 -0.91 0.00 0.00 33.84 32.12 1la6 n VAL 49 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1la6 s THR 50 N -4.87 4.25 0.30 2.52 -4.23 -1.26 -4.99 115.64 107.36 1la6 s THR 50 Ca 0.53 -1.29 -0.28 0.00 -1.18 0.00 0.00 61.69 59.47 1la6 s THR 50 Cb 0.43 -3.20 -0.14 0.00 1.34 0.00 0.00 72.50 70.93 1la6 s THR 50 CO -0.05 -0.19 1.02 -2.65 -0.54 0.00 0.00 174.62 172.22 1la6 n PRO 51 N -0.56 1.40 -0.87 3.99 -0.02 -1.26 -1.95 135.00 135.73 1la6 n PRO 51 Ca -0.08 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1la6 n PRO 51 Cb 0.56 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 1la6 n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1la6 n GLY 52 N 1.19 0.23 3.71 -1.23 0.00 -1.26 -4.98 105.19 102.85 1la6 n GLY 52 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1la6 n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1la6 s SER 53 N -2.13 3.57 0.39 1.61 1.04 -0.82 -4.75 113.70 112.60 1la6 s SER 53 Ca 0.00 2.13 0.07 0.00 0.48 0.00 0.00 55.95 58.63 1la6 s SER 53 Cb 0.00 -2.56 0.80 0.00 0.10 0.00 0.00 66.02 64.36 1la6 s SER 53 CO 0.00 -2.67 2.00 1.55 0.98 0.00 0.00 173.24 175.09 1la6 h PRO 54 N -1.37 0.48 -0.25 4.02 0.13 -1.90 -1.04 132.00 132.07 1la6 h PRO 54 Ca -0.44 -0.06 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 1la6 h PRO 54 Cb 1.26 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1la6 h PRO 54 CO 0.46 0.40 -0.13 -0.91 -0.23 0.00 0.00 178.00 177.59 1la6 h ASN 55 N 0.48 0.55 -0.47 1.44 4.21 -1.92 -1.92 115.58 117.94 1la6 h ASN 55 Ca 0.12 -0.41 -0.12 0.00 1.21 0.00 0.00 56.30 57.10 1la6 h ASN 55 Cb 0.10 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.13 1la6 h ASN 55 CO -0.01 0.84 -0.16 0.40 -1.29 0.00 0.00 177.43 177.20 1la6 h ILE 56 N 0.25 1.27 -0.49 2.81 2.04 -1.72 -1.03 117.51 120.65 1la6 h ILE 56 Ca 0.06 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.61 1la6 h ILE 56 Cb 0.63 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1la6 h ILE 56 CO 0.04 0.45 0.31 0.11 0.00 0.00 0.00 178.15 179.06 1la6 h LYS 57 N 0.79 0.65 -0.14 2.37 1.57 -1.19 0.58 116.57 121.19 1la6 h LYS 57 Ca 0.11 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1la6 h LYS 57 Cb 0.73 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1la6 h LYS 57 CO 0.06 0.45 0.09 0.00 -0.57 0.00 0.00 179.45 179.47 1la6 h ALA 58 N 1.16 0.18 -0.19 3.86 0.00 -1.18 -2.72 119.26 120.38 1la6 h ALA 58 Ca 0.18 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1la6 h ALA 58 Cb -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1la6 h ALA 58 CO -0.04 -0.31 -0.22 1.25 0.00 0.00 0.00 179.25 179.93 1la6 h HIS 59 N 0.17 0.37 -0.29 0.00 -0.00 -0.90 -2.24 115.15 112.26 1la6 h HIS 59 Ca 0.05 -0.07 0.06 0.00 -0.00 0.00 0.00 60.37 60.41 1la6 h HIS 59 Cb 0.02 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 1la6 h HIS 59 CO -0.06 0.54 0.20 0.78 -0.00 0.00 0.00 177.93 179.40 1la6 h GLY 60 N 0.96 0.17 0.86 5.26 0.00 -0.57 0.76 103.07 110.51 1la6 h GLY 60 Ca 0.05 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 1la6 h GLY 60 CO 0.04 0.04 -0.22 0.50 0.00 0.00 0.00 176.54 176.90 1la6 h LYS 61 N 0.14 0.53 -0.63 4.80 1.57 -1.26 -2.18 116.57 119.53 1la6 h LYS 61 Ca 0.13 -0.28 -0.08 0.00 -1.87 0.00 0.00 60.65 58.55 1la6 h LYS 61 Cb 0.34 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1la6 h LYS 61 CO -0.02 0.87 0.10 0.87 -0.57 0.00 0.00 179.45 180.70 1la6 h LYS 62 N 0.21 1.04 -0.28 3.15 1.57 -1.10 -0.00 116.57 121.16 1la6 h LYS 62 Ca 0.03 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.50 1la6 h LYS 62 Cb 0.77 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1la6 h LYS 62 CO 0.05 0.96 0.00 0.28 -0.57 0.00 0.00 179.45 180.18 1la6 h VAL 63 N 0.98 1.25 0.00 0.50 2.07 -0.92 -1.85 116.25 118.28 1la6 h VAL 63 Ca 0.19 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 1la6 h VAL 63 Cb 0.43 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1la6 h VAL 63 CO 0.01 0.29 -0.13 0.24 0.02 0.00 0.00 177.57 178.00 1la6 h MET 64 N 0.28 0.00 -0.20 1.57 2.86 -1.25 -0.82 114.93 117.38 1la6 h MET 64 Ca 0.08 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.60 1la6 h MET 64 Cb 0.42 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1la6 h MET 64 CO 0.01 0.13 -0.37 0.78 1.06 0.00 0.00 176.91 178.52 1la6 h GLY 65 N 1.56 0.47 1.41 8.32 0.00 -0.44 -0.01 103.07 114.39 1la6 h GLY 65 Ca -0.00 -0.45 -0.15 0.00 0.00 0.00 0.00 47.33 46.73 1la6 h GLY 65 CO 0.02 0.40 -0.46 -1.33 0.00 0.00 0.00 176.54 175.17 1la6 h GLY 66 N 1.11 0.69 0.98 4.60 0.00 -0.38 -1.17 103.07 108.90 1la6 h GLY 66 Ca 0.04 -0.74 -0.08 0.00 0.00 0.00 0.00 47.33 46.55 1la6 h GLY 66 CO 0.07 0.67 -0.05 -2.22 0.00 0.00 0.00 176.54 175.01 1la6 h ILE 67 N 0.51 1.27 -0.78 2.60 1.08 -0.93 -0.35 117.51 120.91 1la6 h ILE 67 Ca 0.03 -1.11 -0.03 0.00 -0.39 0.00 0.00 64.86 63.36 1la6 h ILE 67 Cb 1.00 1.14 -0.04 0.00 -3.07 0.00 0.00 36.82 35.85 1la6 h ILE 67 CO 0.09 0.38 0.37 0.00 -0.69 0.00 0.00 178.15 178.30 1la6 h ALA 68 N 0.87 1.17 -0.50 1.87 0.00 -0.86 -0.10 119.26 121.73 1la6 h ALA 68 Ca 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1la6 h ALA 68 Cb 0.56 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1la6 h ALA 68 CO 0.03 0.62 0.28 1.25 0.00 0.00 0.00 179.25 181.43 1la6 h LEU 69 N 1.12 0.62 -0.82 0.00 5.85 -0.85 -1.49 115.31 119.73 1la6 h LEU 69 Ca 0.27 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1la6 h LEU 69 Cb 0.12 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1la6 h LEU 69 CO -0.03 0.52 0.54 0.00 -0.34 0.00 0.00 178.44 179.13 1la6 h ALA 70 N 1.12 1.05 -0.52 1.25 0.00 -0.31 0.47 119.26 122.32 1la6 h ALA 70 Ca 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1la6 h ALA 70 Cb 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1la6 h ALA 70 CO -0.03 0.43 0.27 0.28 0.00 0.00 0.00 179.25 180.21 1la6 h VAL 71 N 1.10 1.18 -0.01 0.00 2.07 -0.59 0.11 116.25 120.11 1la6 h VAL 71 Ca 0.31 -0.48 -0.10 0.00 0.82 0.00 0.00 66.70 67.24 1la6 h VAL 71 Cb -0.10 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1la6 h VAL 71 CO -0.07 0.20 -0.47 0.77 0.02 0.00 0.00 177.57 178.02 1la6 h SER 72 N 0.69 0.03 -0.58 0.57 4.64 -0.83 -2.40 113.55 115.67 1la6 h SER 72 Ca 0.18 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.46 1la6 h SER 72 Cb 0.07 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1la6 h SER 72 CO -0.03 0.50 0.04 0.29 -0.87 0.00 0.00 176.83 176.76 1la6 n LYS 73 N -3.98 4.63 -0.30 4.77 4.76 0.12 -4.67 118.16 123.48 1la6 n LYS 73 Ca -0.02 -3.04 0.32 0.00 -2.87 0.00 0.00 58.31 52.71 1la6 n LYS 73 Cb 0.49 -2.24 0.71 0.00 -1.84 0.00 0.00 35.03 32.15 1la6 n LYS 73 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 1la6 h ILE 74 N 3.68 0.45 0.00 -0.18 2.10 -0.26 -0.17 117.51 123.13 1la6 h ILE 74 Ca 0.04 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.96 1la6 h ILE 74 Cb 1.99 0.38 0.00 0.00 -1.09 0.00 0.00 36.82 38.10 1la6 h ILE 74 CO 0.51 0.01 0.00 0.44 -1.08 0.00 0.00 178.15 178.04 1la6 h ASP 75 N 0.06 0.00 -1.20 2.19 3.32 -1.86 -3.38 116.42 115.55 1la6 h ASP 75 Ca 0.55 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.44 1la6 h ASP 75 Cb 2.06 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 41.40 1la6 h ASP 75 CO -0.05 0.00 -0.52 -0.62 -1.72 0.00 0.00 179.24 176.33 1la6 s ASP 76 N -4.85 -0.98 0.24 6.45 2.15 -0.08 -5.03 116.67 114.58 1la6 s ASP 76 Ca 0.04 -1.29 0.02 0.00 0.43 0.00 0.00 52.55 51.75 1la6 s ASP 76 Cb 0.09 1.63 0.28 0.00 -0.30 0.00 0.00 42.92 44.62 1la6 s ASP 76 CO 0.48 -0.15 1.61 -0.07 -0.17 0.00 0.00 175.17 176.87 1la6 h LEU 77 N 6.36 0.45 -0.11 -1.34 3.38 -1.74 -1.67 115.31 120.64 1la6 h LEU 77 Ca 0.06 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1la6 h LEU 77 Cb 1.13 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1la6 h LEU 77 CO 0.10 0.84 -0.08 0.50 0.09 0.00 0.00 178.44 179.89 1la6 h LYS 78 N 0.34 -0.09 -0.18 1.13 3.64 -1.90 0.77 116.57 120.27 1la6 h LYS 78 Ca 0.02 0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.22 1la6 h LYS 78 Cb 0.92 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1la6 h LYS 78 CO 0.08 -0.06 -0.63 1.15 -2.27 0.00 0.00 179.45 177.72 1la6 h THR 79 N -0.09 1.30 -0.62 1.00 2.02 -1.95 -2.92 112.91 111.64 1la6 h THR 79 Ca 0.07 -1.85 -0.03 0.00 0.77 0.00 0.00 66.41 65.38 1la6 h THR 79 Cb 0.20 1.92 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 1la6 h THR 79 CO -0.17 0.58 0.28 1.23 0.37 0.00 0.00 175.52 177.82 1la6 h GLY 80 N 0.47 0.96 -2.07 2.16 0.00 -0.98 -3.11 103.07 100.49 1la6 h GLY 80 Ca -0.03 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1la6 h GLY 80 CO 0.13 0.44 0.00 1.04 0.00 0.00 0.00 176.54 178.16 1la6 n LEU 81 N -4.34 4.10 -0.25 3.11 4.77 0.24 -4.67 117.00 119.96 1la6 n LEU 81 Ca 0.06 -2.67 0.02 0.00 -0.03 0.00 0.00 56.01 53.38 1la6 n LEU 81 Cb 0.15 -0.50 0.15 0.00 -2.33 0.00 0.00 43.42 40.88 1la6 n LEU 81 CO 0.38 0.71 1.07 -0.03 -1.33 0.00 0.00 177.39 178.19 1la6 h MET 82 N 2.59 0.58 -0.41 3.23 4.05 -1.44 0.10 114.93 123.63 1la6 h MET 82 Ca 0.00 -0.04 -0.10 0.00 -0.28 0.00 0.00 59.70 59.28 1la6 h MET 82 Cb 1.36 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 32.01 1la6 h MET 82 CO 0.21 0.39 -0.15 0.93 0.23 0.00 0.00 176.91 178.51 1la6 h GLU 83 N 0.60 0.76 -0.17 0.39 5.08 -1.84 -1.35 114.58 118.06 1la6 h GLU 83 Ca 0.36 -0.27 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 1la6 h GLU 83 Cb 0.40 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1la6 h GLU 83 CO -0.28 0.87 -0.45 -0.07 -1.00 0.00 0.00 179.01 178.08 1la6 h LEU 84 N 0.68 0.44 -0.05 1.33 3.38 -1.69 -1.29 115.31 118.11 1la6 h LEU 84 Ca 0.11 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1la6 h LEU 84 Cb 0.64 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1la6 h LEU 84 CO 0.04 0.83 0.01 -1.28 0.09 0.00 0.00 178.44 178.13 1la6 h SER 85 N 0.33 0.08 -0.94 -0.43 0.87 -0.67 -0.40 113.55 112.39 1la6 h SER 85 Ca 0.02 -0.27 0.05 0.00 -1.23 0.00 0.00 61.79 60.36 1la6 h SER 85 Cb 0.92 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.80 1la6 h SER 85 CO 0.08 0.33 0.61 -0.08 -0.53 0.00 0.00 176.83 177.23 1la6 h GLU 86 N -0.18 1.10 -0.21 2.24 4.57 -1.20 0.73 114.58 121.62 1la6 h GLU 86 Ca 0.01 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 1la6 h GLU 86 Cb 0.29 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1la6 h GLU 86 CO 0.00 0.73 0.02 0.37 -1.18 0.00 0.00 179.01 178.95 1la6 h GLN 87 N 1.13 0.36 -0.24 1.92 4.15 -0.98 0.15 115.11 121.60 1la6 h GLN 87 Ca 0.40 -0.10 -0.15 0.00 0.77 0.00 0.00 58.65 59.56 1la6 h GLN 87 Cb 0.10 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 1la6 h GLN 87 CO -0.15 0.53 -0.46 0.45 -1.93 0.00 0.00 178.83 177.27 1la6 h HIS 88 N 0.15 0.75 -0.04 3.99 3.86 -0.69 0.16 115.15 123.32 1la6 h HIS 88 Ca 0.06 -0.24 -0.12 0.00 -1.16 0.00 0.00 60.37 58.92 1la6 h HIS 88 Cb 0.35 -0.15 0.01 0.00 1.06 0.00 0.00 27.41 28.67 1la6 h HIS 88 CO 0.03 0.96 -0.44 0.00 0.86 0.00 0.00 177.93 179.33 1la6 h ALA 89 N 1.00 0.11 0.00 2.45 0.00 -0.83 0.23 119.26 122.22 1la6 h ALA 89 Ca 0.03 -0.50 -0.42 0.00 0.00 0.00 0.00 54.91 54.02 1la6 h ALA 89 Cb 0.99 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 1la6 h ALA 89 CO 0.09 0.27 -2.40 0.66 0.00 0.00 0.00 179.25 177.87 1la6 n TYR 90 N -4.33 0.00 -0.04 0.00 4.01 0.04 -3.73 117.16 113.11 1la6 n TYR 90 Ca -0.09 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.52 1la6 n TYR 90 Cb 0.58 -0.95 -0.11 0.00 -0.31 0.00 0.00 39.34 38.55 1la6 n TYR 90 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1la6 h LYS 91 N -1.00 -0.00 0.03 -0.72 3.64 -1.46 -3.36 116.57 113.70 1la6 h LYS 91 Ca -0.64 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.48 1la6 h LYS 91 Cb 1.56 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.34 1la6 h LYS 91 CO -0.39 0.72 -1.40 -0.07 -2.27 0.00 0.00 179.45 176.05 1la6 h LEU 92 N -0.73 0.10 -1.45 5.20 3.38 -0.84 -3.49 115.31 117.49 1la6 h LEU 92 Ca -0.00 -0.14 -0.39 0.00 0.09 0.00 0.00 57.88 57.44 1la6 h LEU 92 Cb 0.72 -0.03 0.11 0.00 0.09 0.00 0.00 40.66 41.55 1la6 h LEU 92 CO 0.00 1.12 -0.77 0.54 0.09 0.00 0.00 178.44 179.42 1la6 n ARG 93 N -3.26 -6.30 -2.82 1.13 1.74 0.58 -4.94 116.66 102.79 1la6 n ARG 93 Ca -0.11 0.75 -0.42 0.00 -0.77 0.00 0.00 57.85 57.31 1la6 n ARG 93 Cb 1.01 -5.64 -0.03 0.00 -1.02 0.00 0.00 32.46 26.78 1la6 n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1la6 s VAL 94 N -3.43 4.88 0.08 1.55 1.01 0.11 -4.98 120.40 119.62 1la6 s VAL 94 Ca 0.20 1.82 -0.31 0.00 0.00 0.00 0.00 61.98 63.70 1la6 s VAL 94 Cb -0.09 -4.22 -0.10 0.00 0.00 0.00 0.00 36.38 31.98 1la6 s VAL 94 CO 0.76 0.10 1.91 -0.62 0.00 0.00 0.00 175.10 177.25 1la6 s ASP 95 N 1.03 6.43 0.26 3.32 -1.08 -1.26 -4.75 116.67 120.62 1la6 s ASP 95 Ca 0.44 2.73 0.15 0.00 -0.52 0.00 0.00 52.55 55.35 1la6 s ASP 95 Cb -0.18 -2.55 0.82 0.00 -1.46 0.00 0.00 42.92 39.55 1la6 s ASP 95 CO 0.19 -1.04 1.42 -0.81 0.52 0.00 0.00 175.17 175.46 1la6 n PRO 96 N 6.64 0.10 0.18 4.34 -0.04 -1.26 -1.51 135.00 143.45 1la6 n PRO 96 Ca 0.19 0.58 0.14 0.00 -0.04 0.00 0.00 63.50 64.37 1la6 n PRO 96 Cb 0.40 -1.92 0.52 0.00 -0.04 0.00 0.00 33.50 32.45 1la6 n PRO 96 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1la6 h SER 97 N 0.00 0.00 1.70 3.54 4.64 -2.02 -3.07 113.55 118.33 1la6 h SER 97 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1la6 h SER 97 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1la6 h SER 97 CO 0.00 0.00 0.00 0.78 -0.87 0.00 0.00 176.83 176.74 1la6 h ASN 98 N 0.00 0.00 -0.78 4.97 4.21 -1.65 -3.31 115.58 119.02 1la6 h ASN 98 Ca 0.00 0.00 0.03 0.00 1.21 0.00 0.00 56.30 57.54 1la6 h ASN 98 Cb 0.51 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.67 1la6 h ASN 98 CO 0.00 0.00 0.50 -0.26 -1.29 0.00 0.00 177.43 176.38 1la6 h PHE 99 N 0.00 0.94 0.00 1.19 0.04 -1.75 -1.09 116.94 116.28 1la6 h PHE 99 Ca 0.00 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 1la6 h PHE 99 Cb 0.85 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 38.68 1la6 h PHE 99 CO 0.00 0.55 -0.12 1.57 -0.60 0.00 0.00 178.31 179.71 1la6 h LYS 100 N 0.99 0.00 0.07 1.51 2.10 -1.79 -2.10 116.57 117.35 1la6 h LYS 100 Ca 0.31 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.96 1la6 h LYS 100 Cb -0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1la6 h LYS 100 CO -0.11 0.12 -0.04 0.82 -2.00 0.00 0.00 179.45 178.24 1la6 h ILE 101 N 0.00 1.21 -0.88 0.07 2.04 -1.38 -2.68 117.51 115.88 1la6 h ILE 101 Ca -0.00 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 1la6 h ILE 101 Cb 0.30 1.94 -0.04 0.00 -0.74 0.00 0.00 36.82 38.28 1la6 h ILE 101 CO 0.02 0.28 0.52 0.25 0.00 0.00 0.00 178.15 179.22 1la6 h LEU 102 N -0.65 1.06 -0.65 1.44 5.85 -1.30 -2.16 115.31 118.90 1la6 h LEU 102 Ca -0.01 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.70 1la6 h LEU 102 Cb 0.54 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 1la6 h LEU 102 CO 0.02 0.83 0.34 0.78 -0.34 0.00 0.00 178.44 180.06 1la6 h ASN 103 N 1.21 0.49 -0.61 1.25 -0.26 -1.39 -0.04 115.58 116.23 1la6 h ASN 103 Ca 0.31 0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 56.08 1la6 h ASN 103 Cb -0.03 -0.05 -0.03 0.00 -1.06 0.00 0.00 38.32 37.14 1la6 h ASN 103 CO -0.06 0.31 0.35 -0.74 -1.06 0.00 0.00 177.43 176.24 1la6 h HIS 104 N 0.63 0.81 -0.53 1.19 2.76 -1.05 -2.06 115.15 116.89 1la6 h HIS 104 Ca 0.30 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.41 1la6 h HIS 104 Cb 0.22 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 28.89 1la6 h HIS 104 CO -0.09 0.57 0.13 0.00 -1.30 0.00 0.00 177.93 177.24 1la6 h ILE 106 N 0.79 1.18 -0.69 0.00 2.04 -0.61 -0.47 117.51 119.75 1la6 h ILE 106 Ca 0.17 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 1la6 h ILE 106 Cb 0.29 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1la6 h ILE 106 CO -0.00 0.19 0.31 -0.07 0.00 0.00 0.00 178.15 178.57 1la6 h LEU 107 N 0.78 0.92 -0.01 1.44 3.38 -0.84 -0.97 115.31 120.01 1la6 h LEU 107 Ca 0.20 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1la6 h LEU 107 Cb 0.01 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1la6 h LEU 107 CO -0.04 0.82 0.01 0.58 0.09 0.00 0.00 178.44 179.90 1la6 h VAL 108 N 0.96 1.05 -0.31 1.22 2.07 -0.84 -1.10 116.25 119.31 1la6 h VAL 108 Ca 0.23 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.62 1la6 h VAL 108 Cb 0.16 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1la6 h VAL 108 CO -0.02 0.04 0.17 0.58 0.02 0.00 0.00 177.57 178.35 1la6 h VAL 109 N -0.04 1.01 -0.78 2.57 2.07 -0.90 -0.14 116.25 120.05 1la6 h VAL 109 Ca 0.00 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1la6 h VAL 109 Cb 0.06 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1la6 h VAL 109 CO -0.00 0.06 0.51 0.40 0.02 0.00 0.00 177.57 178.57 1la6 h ILE 110 N 0.35 1.18 -0.57 4.57 2.04 -1.02 -1.62 117.51 122.45 1la6 h ILE 110 Ca 0.12 -0.35 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 1la6 h ILE 110 Cb 0.02 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.14 1la6 h ILE 110 CO -0.07 0.19 -0.03 -1.28 0.00 0.00 0.00 178.15 176.96 1la6 h SER 111 N 1.03 0.99 0.50 1.72 0.87 -0.28 0.35 113.55 118.72 1la6 h SER 111 Ca 0.29 -0.29 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 1la6 h SER 111 Cb -0.08 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.60 1la6 h SER 111 CO -0.07 1.06 -0.51 0.71 -0.53 0.00 0.00 176.83 177.49 1la6 h THR 112 N 0.92 1.37 0.00 2.23 1.35 -0.16 -3.20 112.91 115.41 1la6 h THR 112 Ca 0.16 -1.76 -0.24 0.00 -0.55 0.00 0.00 66.41 64.02 1la6 h THR 112 Cb 0.57 1.94 -0.04 0.00 -1.73 0.00 0.00 68.15 68.89 1la6 h THR 112 CO 0.03 0.50 -1.92 0.23 -0.25 0.00 0.00 175.52 174.12 1la6 n MET 113 N -3.93 0.65 -3.15 4.72 2.81 -0.71 -4.64 117.12 112.88 1la6 n MET 113 Ca -0.01 0.08 -0.21 0.00 -1.81 0.00 0.00 57.70 55.74 1la6 n MET 113 Cb 0.53 -1.65 -0.04 0.00 -0.71 0.00 0.00 33.22 31.34 1la6 n MET 113 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1la6 n PHE 114 N -2.76 1.19 -0.10 2.03 3.01 0.09 -4.93 117.46 115.99 1la6 n PHE 114 Ca -0.19 -3.84 0.02 0.00 1.01 0.00 0.00 57.45 54.45 1la6 n PHE 114 Cb 0.95 -0.43 0.32 0.00 -0.01 0.00 0.00 39.48 40.31 1la6 n PHE 114 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1la6 h PRO 115 N 3.21 0.74 -0.41 -1.08 0.13 -1.74 0.48 132.00 133.33 1la6 h PRO 115 Ca 0.11 -0.06 -0.14 0.00 -0.87 0.00 0.00 66.00 65.03 1la6 h PRO 115 Cb 0.83 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 1la6 h PRO 115 CO 0.59 0.52 -0.32 -0.22 -0.23 0.00 0.00 178.00 178.34 1la6 h LYS 116 N 0.76 0.91 0.00 0.86 3.11 -1.91 -3.29 116.57 117.01 1la6 h LYS 116 Ca 0.20 -0.44 -0.23 0.00 -2.81 0.00 0.00 60.65 57.38 1la6 h LYS 116 Cb -0.02 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.16 1la6 h LYS 116 CO -0.04 1.09 -1.36 0.93 -2.81 0.00 0.00 179.45 177.26 1la6 h GLU 117 N 0.76 0.00 -3.79 1.90 3.07 -1.90 -3.40 114.58 111.22 1la6 h GLU 117 Ca 0.08 0.00 -0.71 0.00 -0.50 0.00 0.00 59.36 58.23 1la6 h GLU 117 Cb 0.89 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.77 1la6 h GLU 117 CO 0.08 0.56 3.19 0.34 -1.40 0.00 0.00 179.01 181.78 1la6 n PHE 118 N -3.09 3.31 -1.61 4.33 7.35 0.13 -4.80 117.46 123.09 1la6 n PHE 118 Ca -0.10 -2.99 -0.29 0.00 -0.76 0.00 0.00 57.45 53.32 1la6 n PHE 118 Cb 0.95 -2.51 0.12 0.00 0.35 0.00 0.00 39.48 38.39 1la6 n PHE 118 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1la6 s THR 119 N 2.82 2.21 0.43 -2.13 -4.23 -1.26 -4.79 115.64 108.70 1la6 s THR 119 Ca 0.50 0.07 0.23 0.00 -1.18 0.00 0.00 61.69 61.31 1la6 s THR 119 Cb 0.14 -2.87 0.26 0.00 1.34 0.00 0.00 72.50 71.38 1la6 s THR 119 CO -0.08 -0.09 2.05 1.55 -0.54 0.00 0.00 174.62 177.51 1la6 h PRO 120 N -1.34 0.00 -0.15 3.99 0.13 -1.98 0.58 132.00 133.23 1la6 h PRO 120 Ca -0.49 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.43 1la6 h PRO 120 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1la6 h PRO 120 CO 0.62 0.14 -0.73 0.93 -0.23 0.00 0.00 178.00 178.73 1la6 h GLU 121 N 0.00 0.69 -0.11 0.86 3.07 -1.96 -0.89 114.58 116.25 1la6 h GLU 121 Ca -0.00 -0.54 -0.12 0.00 -0.50 0.00 0.00 59.36 58.19 1la6 h GLU 121 Cb 0.32 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1la6 h GLU 121 CO 0.02 1.16 -0.47 0.00 -1.40 0.00 0.00 179.01 178.31 1la6 h ALA 122 N 0.69 1.00 -0.04 3.43 0.00 -1.70 -3.15 119.26 119.50 1la6 h ALA 122 Ca -0.04 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1la6 h ALA 122 Cb 1.34 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1la6 h ALA 122 CO 0.14 0.64 0.00 1.25 0.00 0.00 0.00 179.25 181.29 1la6 h HIS 123 N 0.22 0.07 -0.86 0.00 6.17 -0.56 -0.66 115.15 119.52 1la6 h HIS 123 Ca 0.01 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.08 1la6 h HIS 123 Cb 0.92 -0.02 -0.04 0.00 2.52 0.00 0.00 27.41 30.79 1la6 h HIS 123 CO 0.02 0.32 0.52 -0.24 0.71 0.00 0.00 177.93 179.26 1la6 h VAL 124 N -0.21 1.24 -0.32 5.26 3.04 -1.21 0.15 116.25 124.20 1la6 h VAL 124 Ca 0.01 -0.53 -0.12 0.00 -1.01 0.00 0.00 66.70 65.05 1la6 h VAL 124 Cb 0.30 0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 29.61 1la6 h VAL 124 CO 0.00 0.25 -0.28 0.28 -1.01 0.00 0.00 177.57 176.82 1la6 h SER 125 N 1.19 0.80 -0.27 3.17 0.02 -1.50 -0.57 113.55 116.39 1la6 h SER 125 Ca 0.31 -0.46 -0.12 0.00 -0.84 0.00 0.00 61.79 60.68 1la6 h SER 125 Cb -0.04 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 1la6 h SER 125 CO -0.06 1.09 -0.25 0.25 -1.14 0.00 0.00 176.83 176.73 1la6 h LEU 126 N 0.52 0.77 -0.42 5.07 5.85 -0.93 0.07 115.31 126.24 1la6 h LEU 126 Ca 0.06 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 1la6 h LEU 126 Cb 0.85 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1la6 h LEU 126 CO 0.07 0.99 0.08 -0.78 -0.34 0.00 0.00 178.44 178.46 1la6 h ASP 127 N 0.66 0.66 -0.69 1.25 3.58 -0.53 0.23 116.42 121.58 1la6 h ASP 127 Ca 0.09 -0.25 -0.05 0.00 0.42 0.00 0.00 57.03 57.24 1la6 h ASP 127 Cb 0.76 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.60 1la6 h ASP 127 CO 0.06 0.74 0.25 0.11 -2.88 0.00 0.00 179.24 177.52 1la6 h LYS 128 N 0.55 1.05 -0.17 0.28 1.57 -0.86 -1.14 116.57 117.85 1la6 h LYS 128 Ca 0.13 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1la6 h LYS 128 Cb 0.35 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1la6 h LYS 128 CO 0.01 0.89 0.10 0.35 -0.57 0.00 0.00 179.45 180.22 1la6 h PHE 129 N 1.00 0.23 -0.09 -1.35 3.57 -0.55 -1.48 116.94 118.26 1la6 h PHE 129 Ca 0.23 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.66 1la6 h PHE 129 Cb 0.25 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1la6 h PHE 129 CO 0.02 0.21 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.01 1la6 h LEU 130 N 0.18 0.15 -0.64 0.59 3.38 -0.36 -0.08 115.31 118.54 1la6 h LEU 130 Ca 0.06 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1la6 h LEU 130 Cb 0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1la6 h LEU 130 CO -0.01 0.39 -0.16 0.28 0.09 0.00 0.00 178.44 179.03 1la6 h SER 131 N 0.15 0.91 -0.30 -0.43 0.02 -0.87 0.51 113.55 113.53 1la6 h SER 131 Ca 0.03 -0.31 -0.10 0.00 -0.84 0.00 0.00 61.79 60.56 1la6 h SER 131 Cb 0.49 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1la6 h SER 131 CO 0.03 1.06 -0.17 1.23 -1.14 0.00 0.00 176.83 177.84 1la6 h GLY 132 N 0.95 0.81 0.84 -3.77 0.00 -0.42 0.15 103.07 101.62 1la6 h GLY 132 Ca 0.12 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 1la6 h GLY 132 CO 0.05 0.59 0.04 -2.08 0.00 0.00 0.00 176.54 175.15 1la6 h VAL 133 N 0.67 1.20 -0.68 4.60 2.07 -0.67 0.32 116.25 123.75 1la6 h VAL 133 Ca 0.10 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1la6 h VAL 133 Cb 0.65 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1la6 h VAL 133 CO 0.05 0.19 0.40 0.00 0.02 0.00 0.00 177.57 178.23 1la6 h ALA 134 N 0.84 0.87 -0.82 1.67 0.00 -0.66 0.45 119.26 121.61 1la6 h ALA 134 Ca 0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1la6 h ALA 134 Cb 0.26 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1la6 h ALA 134 CO 0.00 0.36 0.37 1.25 0.00 0.00 0.00 179.25 181.23 1la6 h LEU 135 N 0.93 1.10 -0.49 0.00 5.85 -0.58 -1.70 115.31 120.42 1la6 h LEU 135 Ca 0.24 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 1la6 h LEU 135 Cb -0.00 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 1la6 h LEU 135 CO -0.04 0.95 -0.16 0.00 -0.34 0.00 0.00 178.44 178.85 1la6 h ALA 136 N 1.20 0.68 0.00 1.25 0.00 -0.31 -2.66 119.26 119.42 1la6 h ALA 136 Ca 0.28 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1la6 h ALA 136 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1la6 h ALA 136 CO -0.03 0.63 -0.22 -0.07 0.00 0.00 0.00 179.25 179.56 1la6 h LEU 137 N 0.83 0.00 0.00 0.00 3.38 -0.66 -2.42 115.31 116.44 1la6 h LEU 137 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1la6 h LEU 137 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1la6 h LEU 137 CO 0.06 0.22 -0.12 0.00 0.09 0.00 0.00 178.44 178.69 1la6 n ALA 138 N -2.34 2.60 -0.24 1.53 0.00 -0.66 -4.30 120.51 117.09 1la6 n ALA 138 Ca -0.02 -0.15 0.03 0.00 0.00 0.00 0.00 53.44 53.30 1la6 n ALA 138 Cb 0.32 -1.39 0.12 0.00 0.00 0.00 0.00 19.45 18.50 1la6 n ALA 138 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1la6 h GLU 139 N 0.00 0.06 -0.17 0.00 4.57 -1.15 -1.85 114.58 116.05 1la6 h GLU 139 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1la6 h GLU 139 Cb 0.52 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1la6 h GLU 139 CO 0.00 0.04 0.00 0.54 -1.18 0.00 0.00 179.01 178.41 1la6 n ARG 140 N -5.38 1.51 0.16 1.92 5.12 -1.26 -4.19 116.66 114.53 1la6 n ARG 140 Ca 0.11 -0.78 0.03 0.00 -1.93 0.00 0.00 57.85 55.28 1la6 n ARG 140 Cb 0.41 -1.28 0.21 0.00 -1.16 0.00 0.00 32.46 30.64 1la6 n ARG 140 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1la6 h TYR 141 N 1.41 0.00 0.00 -1.55 0.05 -1.62 -3.48 116.97 111.79 1la6 h TYR 141 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1la6 h TYR 141 Cb 0.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 1la6 h TYR 141 CO 0.11 0.50 0.00 2.89 -1.05 0.00 0.00 178.16 180.61