#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggw n THR 3 N 0.00 2.02 0.04 6.66 -1.04 -1.26 -4.62 114.28 116.08 1ggw n THR 3 Ca 0.00 -1.94 -0.18 0.00 -2.04 0.00 0.00 64.05 59.89 1ggw n THR 3 Cb 0.00 -0.18 -0.14 0.00 -1.82 0.00 0.00 70.33 68.19 1ggw n THR 3 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 1ggw h ASP 4 N 1.08 0.38 -5.26 8.00 2.03 -2.06 -3.50 116.42 117.09 1ggw h ASP 4 Ca 0.00 -0.66 -0.01 0.00 -0.73 0.00 0.00 57.03 55.64 1ggw h ASP 4 Cb 1.21 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.58 1ggw h ASP 4 CO 0.12 1.57 -0.73 0.47 -1.03 0.00 0.00 179.24 179.64 1ggw n ASP 5 N -3.43 -7.94 -0.03 4.15 8.00 -1.26 -4.06 116.55 111.98 1ggw n ASP 5 Ca -0.23 0.91 -0.12 0.00 0.71 0.00 0.00 54.79 56.06 1ggw n ASP 5 Cb 1.05 -5.27 -0.07 0.00 -0.02 0.00 0.00 41.12 36.81 1ggw n ASP 5 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1ggw h SER 6 N 2.48 0.17 0.28 -2.24 0.87 -1.96 0.29 113.55 113.43 1ggw h SER 6 Ca -0.01 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1ggw h SER 6 Cb 0.59 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1ggw h SER 6 CO 0.16 0.48 -0.06 -0.81 -0.53 0.00 0.00 176.83 176.07 1ggw n PRO 7 N -4.79 0.81 0.01 2.24 -0.04 -1.26 -0.72 135.00 131.25 1ggw n PRO 7 Ca -0.06 -0.22 -0.00 0.00 -0.04 0.00 0.00 63.50 63.17 1ggw n PRO 7 Cb 0.22 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.19 1ggw n PRO 7 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ggw n TYR 8 N -0.90 0.00 0.12 0.54 4.01 -1.21 -4.60 117.16 115.11 1ggw n TYR 8 Ca 0.17 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.82 1ggw n TYR 8 Cb 0.24 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.21 1ggw n TYR 8 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1ggw h LYS 9 N -0.03 -0.37 -0.19 -0.72 3.64 -1.32 -1.19 116.57 116.39 1ggw h LYS 9 Ca 0.00 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1ggw h LYS 9 Cb 0.03 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1ggw h LYS 9 CO 0.00 -0.11 0.03 0.37 -2.27 0.00 0.00 179.45 177.47 1ggw h GLN 10 N -1.03 0.10 -0.95 1.90 -0.00 -0.59 -1.84 115.11 112.71 1ggw h GLN 10 Ca -0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 1ggw h GLN 10 Cb 0.44 -0.02 -0.05 0.00 0.00 0.00 0.00 27.48 27.85 1ggw h GLN 10 CO 0.07 0.06 0.60 0.00 0.00 0.00 0.00 178.83 179.56 1ggw h ALA 11 N 1.14 1.21 -0.76 3.38 0.00 -1.05 -2.19 119.26 120.98 1ggw h ALA 11 Ca 0.08 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1ggw h ALA 11 Cb 0.08 -0.38 -0.06 0.00 0.00 0.00 0.00 17.79 17.43 1ggw h ALA 11 CO -0.12 0.63 0.44 0.35 0.00 0.00 0.00 179.25 180.56 1ggw h PHE 12 N 1.30 0.81 -0.51 0.00 3.04 -0.64 -1.27 116.94 119.68 1ggw h PHE 12 Ca 0.34 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.28 1ggw h PHE 12 Cb -0.10 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.13 1ggw h PHE 12 CO 0.00 0.38 0.17 1.03 -2.02 0.00 0.00 178.31 177.87 1ggw h SER 13 N 0.79 0.68 -0.28 0.41 0.87 -0.74 -2.33 113.55 112.96 1ggw h SER 13 Ca 0.34 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1ggw h SER 13 Cb 0.22 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 1ggw h SER 13 CO -0.19 0.65 0.16 -0.07 -0.53 0.00 0.00 176.83 176.84 1ggw h LEU 14 N 0.73 0.36 -3.75 2.23 3.38 -0.82 -2.33 115.31 115.11 1ggw h LEU 14 Ca 0.17 -0.02 -0.48 0.00 0.09 0.00 0.00 57.88 57.64 1ggw h LEU 14 Cb 0.20 -0.09 -0.26 0.00 0.09 0.00 0.00 40.66 40.60 1ggw h LEU 14 CO -0.01 0.30 0.61 0.49 0.09 0.00 0.00 178.44 179.92 1ggw n PHE 15 N -4.45 2.67 -3.07 1.13 3.72 -0.88 -4.86 117.46 111.73 1ggw n PHE 15 Ca 0.01 -1.94 -0.45 0.00 -0.05 0.00 0.00 57.45 55.03 1ggw n PHE 15 Cb 0.10 -0.97 -0.03 0.00 -0.94 0.00 0.00 39.48 37.64 1ggw n PHE 15 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1ggw s ASP 16 N -1.05 6.60 0.38 4.37 1.11 -0.88 -4.77 116.67 122.43 1ggw s ASP 16 Ca 0.51 -2.13 0.07 0.00 0.18 0.00 0.00 52.55 51.18 1ggw s ASP 16 Cb 0.42 -2.33 0.75 0.00 1.07 0.00 0.00 42.92 42.82 1ggw s ASP 16 CO 0.07 -0.94 1.93 0.03 1.18 0.00 0.00 175.17 177.44 1ggw h ARG 17 N 8.59 0.38 0.10 8.23 2.47 -1.89 -2.95 114.38 129.30 1ggw h ARG 17 Ca 0.07 -0.07 -0.31 0.00 -1.26 0.00 0.00 59.98 58.41 1ggw h ARG 17 Cb 1.04 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.28 1ggw h ARG 17 CO 1.00 0.42 -1.65 0.45 0.56 0.00 0.00 179.97 180.75 1ggw h HIS 18 N 0.37 0.38 -0.87 3.04 3.86 -1.90 -3.49 115.15 116.54 1ggw h HIS 18 Ca 0.08 -0.27 -0.08 0.00 -1.16 0.00 0.00 60.37 58.94 1ggw h HIS 18 Cb 0.28 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1ggw h HIS 18 CO 0.01 1.40 -0.11 0.41 0.86 0.00 0.00 177.93 180.50 1ggw n GLY 19 N 1.71 0.32 0.00 2.45 0.00 -1.12 -4.94 105.19 103.61 1ggw n GLY 19 Ca -0.20 -0.67 0.01 0.00 0.00 0.00 0.00 46.02 45.16 1ggw n GLY 19 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ggw n THR 20 N -3.76 0.00 0.00 2.61 -2.24 -1.26 -5.02 114.28 104.61 1ggw n THR 20 Ca -0.04 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1ggw n THR 20 Cb 0.53 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1ggw n THR 20 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ggw n GLY 21 N 2.28 0.70 3.48 3.38 0.00 -1.26 -5.14 105.19 108.64 1ggw n GLY 21 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1ggw n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ggw s ARG 22 N 0.00 1.68 -0.02 1.61 3.00 -1.26 -3.89 118.95 120.07 1ggw s ARG 22 Ca 0.00 -1.83 0.01 0.00 0.00 0.00 0.00 55.73 53.92 1ggw s ARG 22 Cb 0.00 -1.58 0.01 0.00 0.00 0.00 0.00 34.95 33.38 1ggw s ARG 22 CO 0.00 0.19 -0.04 0.96 0.00 0.00 0.00 175.30 176.41 1ggw s ILE 23 N -2.68 0.41 0.68 1.52 -4.36 -0.83 -4.51 121.20 111.43 1ggw s ILE 23 Ca 0.30 -0.14 -0.06 0.00 -0.26 0.00 0.00 60.65 60.50 1ggw s ILE 23 Cb -0.00 -0.40 0.05 0.00 1.25 0.00 0.00 42.46 43.36 1ggw s ILE 23 CO 0.14 0.16 0.99 -2.16 0.24 0.00 0.00 174.94 174.31 1ggw s PRO 24 N 0.41 2.29 0.38 0.37 0.04 -1.26 -2.43 135.00 134.80 1ggw s PRO 24 Ca -0.05 -0.25 0.20 0.00 0.04 0.00 0.00 61.00 60.94 1ggw s PRO 24 Cb -0.08 -2.20 1.22 0.00 0.04 0.00 0.00 34.50 33.48 1ggw s PRO 24 CO -0.00 -1.16 1.65 1.57 0.04 0.00 0.00 177.00 179.10 1ggw h LYS 25 N -0.52 0.22 -0.57 4.56 2.10 -1.91 0.22 116.57 120.66 1ggw h LYS 25 Ca -0.44 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1ggw h LYS 25 Cb 1.31 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 32.56 1ggw h LYS 25 CO 0.60 0.14 0.37 1.79 -2.00 0.00 0.00 179.45 180.36 1ggw h THR 26 N 0.22 1.15 -0.11 0.07 1.35 -1.95 -2.43 112.91 111.20 1ggw h THR 26 Ca 0.76 -0.28 -0.06 0.00 -0.55 0.00 0.00 66.41 66.28 1ggw h THR 26 Cb 1.98 0.32 -0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1ggw h THR 26 CO -0.54 0.15 -0.15 0.28 -0.25 0.00 0.00 175.52 175.00 1ggw h SER 27 N 0.77 0.33 -0.77 5.36 0.02 -0.91 -3.21 113.55 115.15 1ggw h SER 27 Ca 0.21 -0.51 0.13 0.00 -0.84 0.00 0.00 61.79 60.78 1ggw h SER 27 Cb -0.08 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.31 1ggw h SER 27 CO -0.04 0.77 0.51 0.40 -1.14 0.00 0.00 176.83 177.33 1ggw h ILE 28 N -0.11 0.84 0.23 3.27 1.08 -1.25 0.56 117.51 122.12 1ggw h ILE 28 Ca 0.01 -0.18 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 1ggw h ILE 28 Cb 0.70 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 34.72 1ggw h ILE 28 CO 0.04 0.09 -0.20 1.23 -0.69 0.00 0.00 178.15 178.62 1ggw h GLY 29 N 0.51 -0.88 2.00 5.37 0.00 -1.43 0.90 103.07 109.54 1ggw h GLY 29 Ca 0.37 0.39 -0.04 0.00 0.00 0.00 0.00 47.33 48.05 1ggw h GLY 29 CO -0.13 -0.30 -0.18 1.29 0.00 0.00 0.00 176.54 177.22 1ggw h ASP 30 N -0.42 0.00 -0.32 0.19 3.04 -1.62 -2.67 116.42 114.62 1ggw h ASP 30 Ca -0.03 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.74 1ggw h ASP 30 Cb 0.36 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.64 1ggw h ASP 30 CO -0.01 0.18 0.12 0.25 -2.04 0.00 0.00 179.24 177.75 1ggw h LEU 31 N 0.00 0.44 -1.79 0.15 5.85 -0.62 -2.47 115.31 116.87 1ggw h LEU 31 Ca -0.00 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1ggw h LEU 31 Cb 0.37 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1ggw h LEU 31 CO 0.02 0.49 0.08 -0.07 -0.34 0.00 0.00 178.44 178.63 1ggw h LEU 32 N 0.37 0.19 -1.14 2.25 3.38 -0.47 -2.32 115.31 117.56 1ggw h LEU 32 Ca 0.11 -0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.26 1ggw h LEU 32 Cb 0.19 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.80 1ggw h LEU 32 CO -0.01 0.16 0.61 -0.09 0.09 0.00 0.00 178.44 179.21 1ggw h ARG 33 N 0.22 0.66 -0.70 1.13 9.65 -1.10 -1.24 114.38 123.00 1ggw h ARG 33 Ca 0.06 -0.04 0.11 0.00 -1.10 0.00 0.00 59.98 59.01 1ggw h ARG 33 Cb 0.02 -0.15 -0.08 0.00 -1.39 0.00 0.00 29.97 28.37 1ggw h ARG 33 CO -0.01 0.44 0.30 0.00 2.80 0.00 0.00 179.97 183.50 1ggw h ALA 34 N 1.63 0.96 -0.23 2.80 0.00 -1.48 -2.19 119.26 120.75 1ggw h ALA 34 Ca 0.55 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.53 1ggw h ALA 34 Cb 0.98 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1ggw h ALA 34 CO -0.33 -0.14 0.08 0.00 0.00 0.00 0.00 179.25 178.87 1ggw n GLY 36 N -0.66 -1.85 3.41 0.00 0.00 -0.82 -4.99 105.19 100.28 1ggw n GLY 36 Ca -0.03 0.52 -0.21 0.00 0.00 0.00 0.00 46.02 46.30 1ggw n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ggw s GLN 37 N -1.39 1.66 -0.05 1.61 -1.52 -1.25 -4.83 119.66 113.90 1ggw s GLN 37 Ca 0.00 -1.95 0.04 0.00 -1.95 0.00 0.00 55.36 51.50 1ggw s GLN 37 Cb 0.00 -0.47 -0.00 0.00 -0.22 0.00 0.00 33.01 32.32 1ggw s GLN 37 CO 0.00 -0.36 -0.17 0.54 -0.25 0.00 0.00 175.29 175.05 1ggw s ASN 38 N -3.45 2.19 0.29 5.90 2.20 -1.26 -2.45 114.94 118.36 1ggw s ASN 38 Ca 0.33 -0.37 0.00 0.00 -0.94 0.00 0.00 52.86 51.89 1ggw s ASN 38 Cb 0.06 -0.72 0.00 0.00 -2.00 0.00 0.00 41.25 38.59 1ggw s ASN 38 CO 0.15 0.13 0.00 -0.81 -2.94 0.00 0.00 177.10 173.64 1ggw n PRO 39 N 3.30 0.81 -3.69 3.55 -0.04 -1.26 -4.99 135.00 132.67 1ggw n PRO 39 Ca -0.19 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.07 1ggw n PRO 39 Cb 0.53 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.97 1ggw n PRO 39 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ggw s THR 40 N -0.17 3.95 0.35 0.52 -4.23 -1.26 -4.95 115.64 109.85 1ggw s THR 40 Ca 0.00 -1.18 0.10 0.00 -1.18 0.00 0.00 61.69 59.43 1ggw s THR 40 Cb 0.00 -3.34 0.33 0.00 1.34 0.00 0.00 72.50 70.83 1ggw s THR 40 CO 0.00 -0.19 1.82 -0.07 -0.54 0.00 0.00 174.62 175.64 1ggw h LEU 41 N 1.10 0.64 -1.06 4.79 -0.00 -1.99 0.12 115.31 118.92 1ggw h LEU 41 Ca -0.46 0.07 0.01 0.00 -0.00 0.00 0.00 57.88 57.49 1ggw h LEU 41 Cb 1.25 -0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 41.81 1ggw h LEU 41 CO 0.56 0.26 0.62 0.00 -0.00 0.00 0.00 178.44 179.88 1ggw h ALA 42 N 1.62 1.31 0.27 1.53 0.00 -1.98 0.22 119.26 122.22 1ggw h ALA 42 Ca 0.52 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 1ggw h ALA 42 Cb 0.96 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ggw h ALA 42 CO -0.27 0.63 -0.13 1.49 0.00 0.00 0.00 179.25 180.97 1ggw h GLU 43 N 1.29 -0.35 -0.41 0.00 4.81 -1.16 -1.17 114.58 117.59 1ggw h GLU 43 Ca 0.35 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.63 1ggw h GLU 43 Cb -0.14 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 1ggw h GLU 43 CO -0.07 -0.03 0.21 -0.84 -0.73 0.00 0.00 179.01 177.54 1ggw h ILE 44 N -0.69 0.98 -1.01 2.32 -2.65 -1.29 -1.45 117.51 113.73 1ggw h ILE 44 Ca -0.04 -0.15 0.07 0.00 1.03 0.00 0.00 64.86 65.78 1ggw h ILE 44 Cb 0.48 0.52 -0.07 0.00 -2.05 0.00 0.00 36.82 35.70 1ggw h ILE 44 CO 0.06 0.08 0.65 0.74 0.03 0.00 0.00 178.15 179.71 1ggw h THR 45 N 0.42 1.06 -0.93 0.16 2.02 -0.97 -1.07 112.91 113.60 1ggw h THR 45 Ca 0.17 -0.40 0.04 0.00 0.77 0.00 0.00 66.41 67.00 1ggw h THR 45 Cb 0.07 -0.19 -0.06 0.00 -1.74 0.00 0.00 68.15 66.24 1ggw h THR 45 CO -0.12 0.21 0.60 -0.08 0.37 0.00 0.00 175.52 176.51 1ggw h GLU 46 N 1.15 1.13 0.21 6.66 4.22 -0.17 -1.64 114.58 126.13 1ggw h GLU 46 Ca 0.44 -0.07 -0.01 0.00 0.08 0.00 0.00 59.36 59.81 1ggw h GLU 46 Cb 0.21 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1ggw h GLU 46 CO -0.19 0.74 -0.10 0.82 -2.18 0.00 0.00 179.01 178.11 1ggw h ILE 47 N 1.16 0.79 -0.16 2.32 2.04 -0.53 -1.77 117.51 121.36 1ggw h ILE 47 Ca 0.37 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.28 1ggw h ILE 47 Cb 0.02 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1ggw h ILE 47 CO -0.13 0.00 0.20 -0.33 0.00 0.00 0.00 178.15 177.89 1ggw h GLU 48 N -0.28 0.00 0.00 2.37 5.08 -0.97 -1.05 114.58 119.72 1ggw h GLU 48 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ggw h GLU 48 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1ggw h GLU 48 CO 0.04 0.00 0.00 0.45 -1.00 0.00 0.00 179.01 178.50 1ggw n SER 49 N -3.72 0.05 -0.01 1.42 2.88 -0.66 -3.59 113.62 110.00 1ggw n SER 49 Ca 0.01 0.52 -0.03 0.00 -1.33 0.00 0.00 58.87 58.04 1ggw n SER 49 Cb 0.32 -0.53 -0.01 0.00 -0.75 0.00 0.00 64.21 63.24 1ggw n SER 49 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ggw n THR 50 N -1.57 0.19 -2.73 2.46 -2.24 -0.42 -5.06 114.28 104.91 1ggw n THR 50 Ca 0.01 -0.02 -0.29 0.00 -2.27 0.00 0.00 64.05 61.48 1ggw n THR 50 Cb 0.07 -1.54 -0.02 0.00 -2.10 0.00 0.00 70.33 66.75 1ggw n THR 50 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ggw s LEU 51 N -6.18 3.73 0.35 3.22 2.01 -1.09 -5.00 118.68 115.72 1ggw s LEU 51 Ca -0.04 1.07 -0.23 0.00 0.01 0.00 0.00 54.13 54.95 1ggw s LEU 51 Cb 0.01 -3.99 -0.16 0.00 0.01 0.00 0.00 46.19 42.07 1ggw s LEU 51 CO 0.05 -0.48 0.20 -2.65 1.01 0.00 0.00 176.35 174.47 1ggw n PRO 52 N -1.70 0.00 -0.19 1.29 -0.02 -1.26 -4.63 135.00 128.49 1ggw n PRO 52 Ca 0.02 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.45 1ggw n PRO 52 Cb 0.54 -0.99 -0.04 0.00 -0.02 0.00 0.00 33.50 32.99 1ggw n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ggw n ALA 53 N -0.74 -0.28 -2.68 3.55 0.00 -1.26 -3.95 120.51 115.15 1ggw n ALA 53 Ca 0.13 0.38 -0.40 0.00 0.00 0.00 0.00 53.44 53.55 1ggw n ALA 53 Cb 0.36 -0.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.72 1ggw n ALA 53 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ggw s GLU 54 N -4.97 4.25 -0.95 0.00 2.02 -1.26 -4.90 118.70 112.89 1ggw s GLU 54 Ca -0.05 0.58 -0.20 0.00 0.02 0.00 0.00 54.97 55.32 1ggw s GLU 54 Cb 0.05 -3.54 0.11 0.00 0.10 0.00 0.00 34.13 30.85 1ggw s GLU 54 CO 0.28 -0.13 1.20 0.08 0.02 0.00 0.00 175.26 176.71 1ggw s VAL 55 N 1.54 4.53 0.84 2.63 1.01 -1.02 -4.82 120.40 125.11 1ggw s VAL 55 Ca 0.28 -1.36 -0.08 0.00 0.00 0.00 0.00 61.98 60.82 1ggw s VAL 55 Cb -0.16 -4.85 0.18 0.00 0.00 0.00 0.00 36.38 31.56 1ggw s VAL 55 CO 0.11 -1.61 1.15 -0.90 0.00 0.00 0.00 175.10 173.85 1ggw n ASP 56 N 7.13 0.76 -0.33 3.32 5.68 -1.26 -1.97 116.55 129.88 1ggw n ASP 56 Ca 0.26 -1.83 0.14 0.00 -0.50 0.00 0.00 54.79 52.86 1ggw n ASP 56 Cb 0.50 -0.82 0.28 0.00 -1.14 0.00 0.00 41.12 39.94 1ggw n ASP 56 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1ggw h MET 57 N 0.00 0.03 0.13 0.11 2.86 -1.96 0.17 114.93 116.27 1ggw h MET 57 Ca -0.38 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.26 1ggw h MET 57 Cb 1.20 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1ggw h MET 57 CO 0.33 0.02 -0.06 1.49 1.06 0.00 0.00 176.91 179.74 1ggw h GLU 58 N 0.03 -0.17 -0.04 1.72 4.81 -1.93 -1.85 114.58 117.14 1ggw h GLU 58 Ca 0.58 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.84 1ggw h GLU 58 Cb 1.19 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 1ggw h GLU 58 CO -0.89 0.19 -0.06 1.96 -0.73 0.00 0.00 179.01 179.48 1ggw h GLN 59 N -0.57 -0.09 -0.11 1.92 7.50 -1.47 0.12 115.11 122.42 1ggw h GLN 59 Ca -0.02 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.14 1ggw h GLN 59 Cb 0.44 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.99 1ggw h GLN 59 CO 0.03 -0.06 0.07 0.35 -1.50 0.00 0.00 178.83 177.72 1ggw h PHE 60 N -0.09 0.14 -0.40 2.96 3.57 -0.83 -2.46 116.94 119.83 1ggw h PHE 60 Ca 0.04 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1ggw h PHE 60 Cb 0.15 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1ggw h PHE 60 CO -0.15 0.11 0.17 -0.07 -2.23 0.00 0.00 178.31 176.14 1ggw h LEU 61 N 0.12 0.49 -0.20 0.59 3.38 -1.18 0.97 115.31 119.49 1ggw h LEU 61 Ca 0.04 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ggw h LEU 61 Cb 0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1ggw h LEU 61 CO -0.01 0.44 0.13 -0.61 0.09 0.00 0.00 178.44 178.48 1ggw h GLN 62 N 0.55 0.26 0.08 1.13 4.15 -0.31 0.75 115.11 121.73 1ggw h GLN 62 Ca 0.14 -0.02 -0.22 0.00 0.77 0.00 0.00 58.65 59.33 1ggw h GLN 62 Cb 0.09 -0.06 0.02 0.00 0.21 0.00 0.00 27.48 27.74 1ggw h GLN 62 CO -0.02 0.17 -0.90 -0.39 -1.93 0.00 0.00 178.83 175.77 1ggw h VAL 63 N 0.26 1.40 0.40 2.39 -1.51 -1.21 -3.36 116.25 114.62 1ggw h VAL 63 Ca 0.07 -2.34 -0.01 0.00 -1.23 0.00 0.00 66.70 63.18 1ggw h VAL 63 Cb -0.03 2.80 -0.00 0.00 -2.13 0.00 0.00 31.29 31.93 1ggw h VAL 63 CO -0.02 0.69 -0.23 0.25 -1.23 0.00 0.00 177.57 177.03 1ggw h LEU 64 N -0.04 -0.58 -5.52 4.19 5.85 -0.79 -3.15 115.31 115.27 1ggw h LEU 64 Ca -0.14 0.03 -0.71 0.00 0.84 0.00 0.00 57.88 57.91 1ggw h LEU 64 Cb 1.63 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.77 1ggw h LEU 64 CO 0.17 -0.38 3.06 0.59 -0.34 0.00 0.00 178.44 181.54 1ggw n ASN 65 N -5.37 7.44 0.09 1.25 3.02 0.25 -4.73 115.26 117.22 1ggw n ASN 65 Ca -0.11 -2.87 -0.12 0.00 -0.03 0.00 0.00 54.58 51.46 1ggw n ASN 65 Cb 0.27 -1.50 -0.06 0.00 -0.61 0.00 0.00 39.78 37.89 1ggw n ASN 65 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1ggw h ARG 66 N 5.08 -0.25 -0.83 3.52 2.43 -1.70 -2.46 114.38 120.18 1ggw h ARG 66 Ca 0.72 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.91 1ggw h ARG 66 Cb 0.38 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1ggw h ARG 66 CO 1.68 -0.17 0.00 -0.35 -1.51 0.00 0.00 179.97 179.62 1ggw n PRO 67 N -5.25 1.92 -2.71 0.20 -0.04 -1.26 -4.95 135.00 122.89 1ggw n PRO 67 Ca -0.07 -0.77 -0.03 0.00 -0.04 0.00 0.00 63.50 62.60 1ggw n PRO 67 Cb 0.17 -1.64 -0.02 0.00 -0.04 0.00 0.00 33.50 31.97 1ggw n PRO 67 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ggw n ASN 68 N 0.14 -4.62 0.00 3.54 2.85 -0.92 -4.94 115.26 111.30 1ggw n ASN 68 Ca 0.07 1.33 0.00 0.00 -0.11 0.00 0.00 54.58 55.86 1ggw n ASN 68 Cb 0.45 -4.93 0.00 0.00 1.24 0.00 0.00 39.78 36.54 1ggw n ASN 68 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ggw n GLY 69 N 1.27 1.48 0.13 8.20 0.00 -1.26 -5.00 105.19 110.01 1ggw n GLY 69 Ca -0.19 -1.81 -0.15 0.00 0.00 0.00 0.00 46.02 43.88 1ggw n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ggw n PHE 70 N -1.88 0.00 -2.48 1.61 3.72 -1.26 -4.58 117.46 112.59 1ggw n PHE 70 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 1ggw n PHE 70 Cb 0.00 -0.64 0.00 0.00 -0.94 0.00 0.00 39.48 37.91 1ggw n PHE 70 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ggw n ASP 71 N -4.37 4.93 0.07 4.37 2.03 -1.26 -4.04 116.55 118.28 1ggw n ASP 71 Ca -0.26 -3.00 0.00 0.00 0.52 0.00 0.00 54.79 52.05 1ggw n ASP 71 Cb 0.62 -1.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 1ggw n ASP 71 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1ggw n MET 72 N 5.48 0.00 -0.30 -0.67 1.56 -1.26 -4.98 117.12 116.95 1ggw n MET 72 Ca 0.42 0.00 0.05 0.00 -0.27 0.00 0.00 57.70 57.90 1ggw n MET 72 Cb 0.40 0.00 0.13 0.00 2.15 0.00 0.00 33.22 35.91 1ggw n MET 72 CO 0.00 0.00 0.00 -1.35 -0.73 0.00 0.00 175.97 173.89 1ggw h PRO 73 N 0.00 0.01 0.00 2.12 0.11 -1.81 -3.41 132.00 129.02 1ggw h PRO 73 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1ggw h PRO 73 Cb 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1ggw h PRO 73 CO 0.00 0.01 0.00 0.41 -0.21 0.00 0.00 178.00 178.21 1ggw n GLY 74 N -1.53 0.00 3.60 -0.55 0.00 -1.26 -5.01 105.19 100.44 1ggw n GLY 74 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1ggw n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ggw s ASP 75 N 0.00 6.64 -0.09 1.61 1.01 -1.26 -4.94 116.67 119.64 1ggw s ASP 75 Ca 0.00 0.46 -0.09 0.00 0.71 0.00 0.00 52.55 53.63 1ggw s ASP 75 Cb 0.00 -2.51 -0.07 0.00 1.01 0.00 0.00 42.92 41.35 1ggw s ASP 75 CO 0.00 -1.11 0.31 -0.65 0.21 0.00 0.00 175.17 173.93 1ggw h PRO 76 N 8.96 -0.12 -0.00 8.23 0.11 -1.98 -2.97 132.00 144.23 1ggw h PRO 76 Ca -0.23 0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.76 1ggw h PRO 76 Cb 1.07 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1ggw h PRO 76 CO 1.07 0.09 -0.59 1.05 -0.21 0.00 0.00 178.00 179.42 1ggw h GLU 77 N -1.01 0.02 -0.07 1.05 4.11 -1.95 -2.68 114.58 114.04 1ggw h GLU 77 Ca -0.01 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.38 1ggw h GLU 77 Cb 0.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1ggw h GLU 77 CO 0.02 0.60 -0.07 1.49 0.07 0.00 0.00 179.01 181.12 1ggw h GLU 78 N 0.01 0.18 -0.76 1.06 4.22 -1.98 -1.97 114.58 115.34 1ggw h GLU 78 Ca -0.01 -0.10 -0.05 0.00 0.08 0.00 0.00 59.36 59.29 1ggw h GLU 78 Cb 1.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1ggw h GLU 78 CO 0.08 0.62 0.27 0.27 -2.18 0.00 0.00 179.01 178.07 1ggw h PHE 79 N -0.25 1.18 -0.08 0.92 -5.15 -1.56 -1.67 116.94 110.34 1ggw h PHE 79 Ca 0.01 -0.10 -0.00 0.00 -0.20 0.00 0.00 57.97 57.68 1ggw h PHE 79 Cb 0.58 -0.35 -0.00 0.00 0.22 0.00 0.00 35.95 36.40 1ggw h PHE 79 CO 0.09 0.91 0.03 0.28 -2.00 0.00 0.00 178.31 177.62 1ggw h VAL 80 N 1.11 1.14 0.00 0.88 2.07 -1.48 -2.57 116.25 117.39 1ggw h VAL 80 Ca 0.25 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1ggw h VAL 80 Cb 0.25 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1ggw h VAL 80 CO -0.02 0.12 -0.17 0.11 0.02 0.00 0.00 177.57 177.63 1ggw h LYS 81 N -0.03 0.00 0.19 1.57 6.56 -1.24 0.10 116.57 123.73 1ggw h LYS 81 Ca 0.03 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.61 1ggw h LYS 81 Cb 0.16 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.82 1ggw h LYS 81 CO -0.00 0.17 -0.09 0.78 -2.06 0.00 0.00 179.45 178.25 1ggw h GLY 82 N 0.89 -0.27 0.58 3.86 0.00 -1.02 -3.35 103.07 103.77 1ggw h GLY 82 Ca -0.00 0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 1ggw h GLY 82 CO 0.02 -0.10 -0.20 0.74 0.00 0.00 0.00 176.54 177.00 1ggw h PHE 83 N -0.75 0.31 -0.12 5.60 0.04 -1.43 -3.36 116.94 117.24 1ggw h PHE 83 Ca -0.03 -0.13 -0.70 0.00 2.80 0.00 0.00 57.97 59.91 1ggw h PHE 83 Cb 0.51 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.57 1ggw h PHE 83 CO 0.06 0.83 2.95 0.94 -0.60 0.00 0.00 178.31 182.49 1ggw n GLN 84 N -4.55 2.80 0.00 1.51 7.27 0.36 -4.11 117.38 120.66 1ggw n GLN 84 Ca -0.08 -2.64 0.00 0.00 0.07 0.00 0.00 57.00 54.35 1ggw n GLN 84 Cb 0.43 -3.30 0.00 0.00 2.41 0.00 0.00 30.24 29.79 1ggw n GLN 84 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 1ggw n VAL 85 N 5.35 0.00 -3.00 1.69 3.14 -1.26 -4.67 118.33 119.59 1ggw n VAL 85 Ca 0.51 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.75 1ggw n VAL 85 Cb 0.40 -0.55 0.01 0.00 -1.06 0.00 0.00 33.84 32.64 1ggw n VAL 85 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1ggw n PHE 86 N -2.32 -0.38 -3.20 1.45 3.72 -1.26 -5.00 117.46 110.47 1ggw n PHE 86 Ca 0.00 -3.26 -0.30 0.00 -0.05 0.00 0.00 57.45 53.84 1ggw n PHE 86 Cb 0.17 0.07 -0.05 0.00 -0.94 0.00 0.00 39.48 38.73 1ggw n PHE 86 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1ggw n ASP 87 N 0.20 4.49 -0.12 4.37 5.75 -1.26 -4.88 116.55 125.11 1ggw n ASP 87 Ca 0.18 -3.52 0.01 0.00 -0.01 0.00 0.00 54.79 51.44 1ggw n ASP 87 Cb 0.70 -0.74 0.28 0.00 -1.03 0.00 0.00 41.12 40.33 1ggw n ASP 87 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1ggw h LYS 88 N 4.02 0.79 0.00 0.11 1.79 -1.98 -3.32 116.57 117.98 1ggw h LYS 88 Ca 0.20 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1ggw h LYS 88 Cb 0.59 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1ggw h LYS 88 CO 0.92 0.59 0.00 -3.47 -1.08 0.00 0.00 179.45 176.41 1ggw n ASP 89 N -4.39 0.00 -1.14 0.86 2.03 -1.26 -5.09 116.55 107.56 1ggw n ASP 89 Ca 0.05 0.42 0.06 0.00 0.52 0.00 0.00 54.79 55.85 1ggw n ASP 89 Cb 0.10 -0.49 -0.03 0.00 -0.72 0.00 0.00 41.12 39.98 1ggw n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ggw n ALA 90 N -2.05 -2.20 -2.86 -1.67 0.00 -1.25 -4.98 120.51 105.50 1ggw n ALA 90 Ca 0.00 0.53 -0.08 0.00 0.00 0.00 0.00 53.44 53.89 1ggw n ALA 90 Cb 0.00 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 18.24 1ggw n ALA 90 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ggw n THR 91 N -3.02-11.08 0.00 0.00 -1.04 -1.26 -4.62 114.28 93.27 1ggw n THR 91 Ca -0.03 0.90 0.00 0.00 -2.04 0.00 0.00 64.05 62.88 1ggw n THR 91 Cb 0.44 -7.28 0.00 0.00 -1.82 0.00 0.00 70.33 61.67 1ggw n THR 91 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ggw n GLY 92 N -0.29 0.93 3.63 3.41 0.00 -1.26 -5.11 105.19 106.51 1ggw n GLY 92 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 1ggw n GLY 92 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ggw s MET 93 N 0.00 0.66 -0.12 1.61 0.00 -1.26 -3.94 119.30 116.25 1ggw s MET 93 Ca 0.00 0.82 0.01 0.00 0.00 0.00 0.00 55.69 56.52 1ggw s MET 93 Cb 0.00 0.31 -0.08 0.00 0.00 0.00 0.00 34.83 35.05 1ggw s MET 93 CO 0.00 -0.08 -0.11 1.51 0.00 0.00 0.00 175.02 176.34 1ggw n ILE 94 N 2.62 0.72 -2.40 3.16 0.00 -1.26 -4.38 119.36 117.81 1ggw n ILE 94 Ca -0.14 -0.28 -0.05 0.00 0.00 0.00 0.00 62.75 62.29 1ggw n ILE 94 Cb 0.56 -0.94 0.01 0.00 0.00 0.00 0.00 39.64 39.26 1ggw n ILE 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ggw n GLY 95 N 2.90 -1.50 0.44 4.50 0.00 -1.18 -4.67 105.19 105.66 1ggw n GLY 95 Ca -0.22 0.74 0.33 0.00 0.00 0.00 0.00 46.02 46.87 1ggw n GLY 95 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ggw h VAL 96 N 1.46 0.22 -1.03 1.61 2.07 0.62 0.15 116.25 121.35 1ggw h VAL 96 Ca 0.00 -0.06 0.27 0.00 0.82 0.00 0.00 66.70 67.73 1ggw h VAL 96 Cb 0.58 0.04 -0.12 0.00 -1.52 0.00 0.00 31.29 30.27 1ggw h VAL 96 CO 0.13 0.03 0.63 1.23 0.02 0.00 0.00 177.57 179.61 1ggw h GLY 97 N 0.17 1.68 0.52 2.17 0.00 -1.70 0.43 103.07 106.33 1ggw h GLY 97 Ca 0.76 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.73 1ggw h GLY 97 CO -0.42 -0.24 -0.43 -2.09 0.00 0.00 0.00 176.54 173.36 1ggw h GLU 98 N 0.47 0.23 -0.75 4.80 4.81 -0.98 -2.35 114.58 120.80 1ggw h GLU 98 Ca 0.65 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1ggw h GLU 98 Cb 1.42 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.86 1ggw h GLU 98 CO -0.43 1.05 0.46 1.37 -0.73 0.00 0.00 179.01 180.73 1ggw h LEU 99 N -0.46 0.90 -0.43 1.64 8.10 -1.16 -2.39 115.31 121.51 1ggw h LEU 99 Ca -0.06 -0.06 -0.18 0.00 0.11 0.00 0.00 57.88 57.69 1ggw h LEU 99 Cb 1.23 -0.23 -0.00 0.00 -0.44 0.00 0.00 40.66 41.22 1ggw h LEU 99 CO 0.08 0.70 -0.63 0.08 -4.11 0.00 0.00 178.44 174.56 1ggw h ARG 100 N 1.03 0.55 -0.78 0.17 -0.00 -0.32 -2.24 114.38 112.79 1ggw h ARG 100 Ca 0.27 -0.39 0.02 0.00 -0.00 0.00 0.00 59.98 59.89 1ggw h ARG 100 Cb -0.04 0.06 -0.04 0.00 -0.00 0.00 0.00 29.97 29.95 1ggw h ARG 100 CO -0.05 1.00 0.51 -0.92 -0.00 0.00 0.00 179.97 180.52 1ggw h TYR 101 N 0.40 0.94 0.08 4.08 3.20 -1.10 0.37 116.97 124.95 1ggw h TYR 101 Ca -0.01 0.02 -0.24 0.00 3.14 0.00 0.00 58.73 61.65 1ggw h TYR 101 Cb 1.20 -0.32 0.02 0.00 1.54 0.00 0.00 36.73 39.17 1ggw h TYR 101 CO 0.05 0.57 -0.97 0.28 -1.64 0.00 0.00 178.16 176.45 1ggw h VAL 102 N 1.00 1.37 -0.08 1.81 2.07 -1.39 -3.34 116.25 117.69 1ggw h VAL 102 Ca 0.30 -2.35 -0.16 0.00 0.82 0.00 0.00 66.70 65.31 1ggw h VAL 102 Cb -0.02 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1ggw h VAL 102 CO -0.08 0.70 -0.64 -0.07 0.02 0.00 0.00 177.57 177.50 1ggw h LEU 103 N 0.06 0.33 -1.50 2.57 3.38 -1.10 -3.21 115.31 115.83 1ggw h LEU 103 Ca -0.15 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.65 1ggw h LEU 103 Cb 1.68 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.31 1ggw h LEU 103 CO 0.19 0.88 0.35 0.71 0.09 0.00 0.00 178.44 180.66 1ggw h THR 104 N 0.21 1.10 0.00 0.22 1.35 -0.38 -1.41 112.91 113.99 1ggw h THR 104 Ca -0.01 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1ggw h THR 104 Cb 1.16 0.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1ggw h THR 104 CO 0.10 0.12 0.00 0.77 -0.25 0.00 0.00 175.52 176.26 1ggw h SER 105 N 0.67 0.00 0.50 5.36 4.64 -1.67 -2.60 113.55 120.45 1ggw h SER 105 Ca 0.20 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 1ggw h SER 105 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1ggw h SER 105 CO -0.05 0.00 -0.24 -0.07 -0.87 0.00 0.00 176.83 175.60 1ggw h LEU 106 N 0.00 -0.57 -4.94 5.97 3.38 -1.37 -3.45 115.31 114.32 1ggw h LEU 106 Ca 0.00 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1ggw h LEU 106 Cb 0.47 0.15 -0.11 0.00 0.09 0.00 0.00 40.66 41.26 1ggw h LEU 106 CO 0.00 -0.27 0.02 0.61 0.09 0.00 0.00 178.44 178.89 1ggw n GLY 107 N -0.33 -0.09 3.01 0.83 0.00 -1.24 -4.99 105.19 102.38 1ggw n GLY 107 Ca -0.08 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 1ggw n GLY 107 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ggw n GLU 108 N -0.55 -5.49 0.00 1.61 4.71 -0.98 -5.03 120.64 114.91 1ggw n GLU 108 Ca -0.20 0.70 0.00 0.00 -0.01 0.00 0.00 57.16 57.66 1ggw n GLU 108 Cb 0.71 -5.28 0.00 0.00 -1.01 0.00 0.00 31.44 25.85 1ggw n GLU 108 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1ggw n LYS 109 N -3.59 2.71 -1.84 3.49 4.76 -1.23 -4.64 118.16 117.81 1ggw n LYS 109 Ca -0.24 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 54.88 1ggw n LYS 109 Cb 0.64 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.77 1ggw n LYS 109 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ggw n LEU 110 N 0.00 3.32 0.00 -0.35 4.77 -1.26 -4.88 117.00 118.60 1ggw n LEU 110 Ca 0.00 -3.11 0.00 0.00 -0.03 0.00 0.00 56.01 52.87 1ggw n LEU 110 Cb 0.00 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 39.51 1ggw n LEU 110 CO 0.00 -1.45 0.00 -1.54 -1.33 0.00 0.00 177.39 173.07 1ggw n SER 111 N 12.60 -0.29 -0.35 -1.43 3.41 -1.26 -4.52 113.62 121.78 1ggw n SER 111 Ca 0.46 -0.42 0.13 0.00 -0.26 0.00 0.00 58.87 58.77 1ggw n SER 111 Cb 0.45 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.71 1ggw n SER 111 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1ggw h ASN 112 N -0.29 0.79 0.27 4.04 4.21 -1.95 -1.61 115.58 121.04 1ggw h ASN 112 Ca 0.00 0.09 -0.01 0.00 1.21 0.00 0.00 56.30 57.59 1ggw h ASN 112 Cb 0.00 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.16 1ggw h ASN 112 CO 0.00 0.29 -0.13 -0.08 -1.29 0.00 0.00 177.43 176.22 1ggw h GLU 113 N 0.78 -0.34 -0.02 0.81 4.81 -1.96 0.43 114.58 119.08 1ggw h GLU 113 Ca 0.57 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.85 1ggw h GLU 113 Cb 0.87 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 1ggw h GLU 113 CO -0.38 -0.15 -0.10 1.49 -0.73 0.00 0.00 179.01 179.14 1ggw h GLU 114 N -0.47 -0.15 0.00 1.92 4.57 -1.74 -1.88 114.58 116.83 1ggw h GLU 114 Ca -0.04 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.10 1ggw h GLU 114 Cb 0.35 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1ggw h GLU 114 CO 0.06 -0.10 -0.25 0.00 -1.18 0.00 0.00 179.01 177.54 1ggw h MET 115 N -0.16 0.00 -0.24 1.92 -0.00 -1.30 -2.75 114.93 112.40 1ggw h MET 115 Ca 0.04 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.76 1ggw h MET 115 Cb 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.80 1ggw h MET 115 CO -0.11 0.25 0.11 -0.44 -0.00 0.00 0.00 176.91 176.71 1ggw h ASP 116 N 0.00 0.16 -0.38 -0.10 3.32 0.69 0.32 116.42 120.42 1ggw h ASP 116 Ca -0.00 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 1ggw h ASP 116 Cb 0.55 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1ggw h ASP 116 CO 0.03 0.12 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.32 1ggw h GLU 117 N 0.24 0.69 -0.88 3.56 4.39 -1.33 -1.31 114.58 119.95 1ggw h GLU 117 Ca 0.10 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1ggw h GLU 117 Cb 0.04 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 1ggw h GLU 117 CO -0.08 0.80 0.55 1.37 -1.16 0.00 0.00 179.01 180.49 1ggw h LEU 118 N 0.51 1.04 -0.87 1.33 8.10 -1.19 -2.11 115.31 122.13 1ggw h LEU 118 Ca 0.10 -0.05 -0.12 0.00 0.11 0.00 0.00 57.88 57.92 1ggw h LEU 118 Cb 0.51 -0.26 -0.02 0.00 -0.44 0.00 0.00 40.66 40.45 1ggw h LEU 118 CO 0.02 0.78 -0.56 -0.07 -4.11 0.00 0.00 178.44 174.50 1ggw h LEU 119 N 1.20 0.01 -0.76 0.17 3.38 -0.25 -2.62 115.31 116.44 1ggw h LEU 119 Ca 0.32 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.23 1ggw h LEU 119 Cb -0.08 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1ggw h LEU 119 CO -0.06 0.57 0.29 0.50 0.09 0.00 0.00 178.44 179.83 1ggw h LYS 120 N 0.01 1.14 -0.06 1.13 1.63 -0.56 -3.16 116.57 116.70 1ggw h LYS 120 Ca -0.01 -0.22 -0.08 0.00 -0.85 0.00 0.00 60.65 59.50 1ggw h LYS 120 Cb 1.00 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 1ggw h LYS 120 CO 0.07 0.94 -0.27 0.78 -3.45 0.00 0.00 179.45 177.52 1ggw h GLY 121 N 1.10 0.32 -5.79 5.01 0.00 -1.38 -3.43 103.07 98.90 1ggw h GLY 121 Ca 0.25 -0.44 -0.59 0.00 0.00 0.00 0.00 47.33 46.55 1ggw h GLY 121 CO -0.02 0.39 0.35 0.14 0.00 0.00 0.00 176.54 177.40 1ggw s VAL 122 N -3.64 4.90 -1.31 4.60 1.01 -1.00 -4.97 120.40 119.99 1ggw s VAL 122 Ca -0.15 1.46 -0.11 0.00 0.00 0.00 0.00 61.98 63.19 1ggw s VAL 122 Cb 0.03 -4.07 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 1ggw s VAL 122 CO 0.76 0.00 2.49 -0.81 0.00 0.00 0.00 175.10 177.54 1ggw n PRO 123 N 5.57 2.87 -3.84 2.72 -0.04 -1.26 -4.74 135.00 136.28 1ggw n PRO 123 Ca 0.03 -2.04 -0.19 0.00 -0.04 0.00 0.00 63.50 61.26 1ggw n PRO 123 Cb 0.48 -2.81 -0.06 0.00 -0.04 0.00 0.00 33.50 31.08 1ggw n PRO 123 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1ggw n VAL 124 N 4.30 0.00 -4.76 0.52 0.24 -1.26 -5.13 118.33 112.24 1ggw n VAL 124 Ca 0.61 -1.84 -0.33 0.00 -2.04 0.00 0.00 64.34 60.75 1ggw n VAL 124 Cb 0.25 0.68 -0.16 0.00 -1.47 0.00 0.00 33.84 33.14 1ggw n VAL 124 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1ggw s LYS 125 N -3.19 3.07 0.00 7.34 2.36 -1.26 -4.61 119.74 123.45 1ggw s LYS 125 Ca 0.17 -0.84 0.00 0.00 -2.55 0.00 0.00 55.97 52.75 1ggw s LYS 125 Cb 0.01 -2.45 0.00 0.00 -1.05 0.00 0.00 37.83 34.34 1ggw s LYS 125 CO 0.12 0.04 0.00 -3.47 1.55 0.00 0.00 175.35 173.59 1ggw n ASP 126 N 3.94 0.00 -0.84 1.43 2.03 -1.26 -3.71 116.55 118.14 1ggw n ASP 126 Ca -0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.11 1ggw n ASP 126 Cb 0.52 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 1ggw n ASP 126 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ggw n GLY 127 N -2.00 0.47 3.42 0.27 0.00 -1.26 -0.53 105.19 105.57 1ggw n GLY 127 Ca 0.00 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 1ggw n GLY 127 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ggw s MET 128 N -3.35 3.16 -0.01 1.61 0.00 -1.24 -1.24 119.30 118.23 1ggw s MET 128 Ca 0.00 -0.84 0.22 0.00 0.00 0.00 0.00 55.69 55.07 1ggw s MET 128 Cb 0.00 -3.65 0.37 0.00 0.00 0.00 0.00 34.83 31.56 1ggw s MET 128 CO 0.00 -0.52 1.15 0.28 0.00 0.00 0.00 175.02 175.92 1ggw n VAL 129 N 5.00 0.04 -1.85 10.11 0.31 -1.26 -4.81 118.33 125.86 1ggw n VAL 129 Ca -0.13 -0.92 -0.21 0.00 -0.01 0.00 0.00 64.34 63.08 1ggw n VAL 129 Cb 0.48 0.94 -0.06 0.00 -0.91 0.00 0.00 33.84 34.29 1ggw n VAL 129 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1ggw n ASN 130 N 0.39 -5.54 -4.02 4.52 5.15 -1.25 -2.66 115.26 111.85 1ggw n ASN 130 Ca 0.01 0.34 -0.28 0.00 -0.60 0.00 0.00 54.58 54.06 1ggw n ASN 130 Cb 1.08 -4.81 -0.03 0.00 -0.53 0.00 0.00 39.78 35.49 1ggw n ASN 130 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ggw n TYR 131 N -2.87 -1.65 0.03 1.20 9.36 -1.26 -4.81 117.16 117.16 1ggw n TYR 131 Ca -0.22 0.75 0.00 0.00 3.32 0.00 0.00 57.90 61.75 1ggw n TYR 131 Cb 0.68 -3.56 0.00 0.00 -0.63 0.00 0.00 39.34 35.82 1ggw n TYR 131 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 1ggw n HIS 132 N -4.42 -0.12 -0.17 2.98 -0.00 -1.09 -4.56 115.22 107.85 1ggw n HIS 132 Ca -0.24 0.02 0.03 0.00 0.46 0.00 0.00 57.72 57.99 1ggw n HIS 132 Cb 0.65 0.05 0.32 0.00 -0.12 0.00 0.00 29.99 30.89 1ggw n HIS 132 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 1ggw h ASP 133 N 0.00 0.72 0.31 0.26 5.19 -1.90 0.29 116.42 121.30 1ggw h ASP 133 Ca 0.00 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.38 1ggw h ASP 133 Cb 0.48 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.82 1ggw h ASP 133 CO 0.00 0.50 -0.15 -0.26 -3.12 0.00 0.00 179.24 176.22 1ggw h PHE 134 N 0.84 -0.38 -0.30 4.55 0.04 -1.89 -2.74 116.94 117.06 1ggw h PHE 134 Ca 0.27 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.01 1ggw h PHE 134 Cb 0.04 0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 1ggw h PHE 134 CO -0.00 -0.04 0.08 0.28 -0.60 0.00 0.00 178.31 178.03 1ggw h VAL 135 N -0.81 1.14 0.24 -0.55 2.07 -1.76 -0.10 116.25 116.48 1ggw h VAL 135 Ca -0.04 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1ggw h VAL 135 Cb 0.51 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1ggw h VAL 135 CO 0.07 0.17 -0.16 -0.61 0.02 0.00 0.00 177.57 177.06 1ggw h GLN 136 N 0.42 -0.38 -0.01 1.57 5.75 -0.39 -1.64 115.11 120.43 1ggw h GLN 136 Ca 0.10 0.03 -0.12 0.00 -0.15 0.00 0.00 58.65 58.51 1ggw h GLN 136 Cb 0.15 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 1ggw h GLN 136 CO -0.01 -0.25 -0.58 1.98 -2.65 0.00 0.00 178.83 177.32 1ggw h MET 137 N -0.40 0.02 -0.50 1.69 4.05 -1.29 -3.02 114.93 115.49 1ggw h MET 137 Ca -0.02 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.40 1ggw h MET 137 Cb 0.34 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.11 1ggw h MET 137 CO 0.01 0.60 0.32 0.82 0.23 0.00 0.00 176.91 178.89 1ggw h ILE 138 N 0.02 1.10 0.00 1.77 1.08 -0.68 -3.35 117.51 117.45 1ggw h ILE 138 Ca -0.01 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1ggw h ILE 138 Cb 1.03 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 35.17 1ggw h ILE 138 CO 0.08 0.12 0.00 0.18 -0.69 0.00 0.00 178.15 177.84 1ggw n LEU 139 N -4.76 2.10 -2.12 1.44 4.32 -0.65 -5.07 117.00 112.26 1ggw n LEU 139 Ca 0.03 0.16 -0.03 0.00 -0.02 0.00 0.00 56.01 56.14 1ggw n LEU 139 Cb 0.04 -0.04 -0.03 0.00 -1.62 0.00 0.00 43.42 41.77 1ggw n LEU 139 CO 0.34 -0.04 -0.39 0.00 -1.22 0.00 0.00 177.39 176.08 1ggw n ALA 140 N -0.62 -3.42 -1.37 -1.18 0.00 -1.14 -5.12 120.51 107.65 1ggw n ALA 140 Ca 0.00 1.43 0.00 0.00 0.00 0.00 0.00 53.44 54.87 1ggw n ALA 140 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 16.66 1ggw n ALA 140 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77