#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 -1.44 -0.07 0.44 5.66 -1.26 -4.85 114.28 112.75 1ggw n THR 3 Ca 0.00 -0.28 -0.15 0.00 -3.05 0.00 0.00 64.05 60.58 1ggw n THR 3 Cb 0.00 -1.60 -0.05 0.00 -1.55 0.00 0.00 70.33 67.14 1ggw n THR 3 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1ggw n ASP 4 N -2.78 1.23 -4.15 1.09 9.92 -1.26 -4.91 116.55 115.68 1ggw n ASP 4 Ca -0.14 0.21 -0.38 0.00 -0.53 0.00 0.00 54.79 53.95 1ggw n ASP 4 Cb 0.60 -0.49 -0.10 0.00 -0.64 0.00 0.00 41.12 40.48 1ggw n ASP 4 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1ggw s ASP 5 N -6.34 5.45 0.07 -2.24 1.11 -1.26 -4.97 116.67 108.49 1ggw s ASP 5 Ca -0.21 -2.07 -0.20 0.00 0.18 0.00 0.00 52.55 50.25 1ggw s ASP 5 Cb 0.07 -1.91 -0.11 0.00 1.07 0.00 0.00 42.92 42.05 1ggw s ASP 5 CO 0.27 -0.59 1.47 -1.28 1.18 0.00 0.00 175.17 176.23 1ggw h SER 6 N 8.11 0.37 0.33 0.27 0.87 -1.95 0.29 113.55 121.83 1ggw h SER 6 Ca -0.15 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1ggw h SER 6 Cb 1.05 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1ggw h SER 6 CO 0.76 0.63 -0.06 -0.81 -0.53 0.00 0.00 176.83 176.82 1ggw n PRO 7 N -4.65 0.73 0.04 2.24 -0.04 -1.26 -0.30 135.00 131.76 1ggw n PRO 7 Ca -0.05 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 1ggw n PRO 7 Cb 0.26 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 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 -0.98 -0.08 0.15 0.54 4.01 -1.19 -4.57 117.16 115.03 1ggw n TYR 8 Ca 0.16 0.01 -0.08 0.00 -0.16 0.00 0.00 57.90 57.84 1ggw n TYR 8 Cb 0.24 0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.26 1ggw n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1ggw h LYS 9 N 0.00 -0.45 -0.27 -0.72 1.57 -1.00 -1.57 116.57 114.13 1ggw h LYS 9 Ca 0.00 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1ggw h LYS 9 Cb 0.00 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1ggw h LYS 9 CO 0.00 -0.27 0.17 0.37 -0.57 0.00 0.00 179.45 179.15 1ggw h GLN 10 N -1.11 0.36 -0.95 3.15 -0.00 -0.65 -2.49 115.11 113.43 1ggw h GLN 10 Ca -0.05 -0.03 0.05 0.00 -0.00 0.00 0.00 58.65 58.62 1ggw h GLN 10 Cb 0.40 -0.08 -0.06 0.00 0.00 0.00 0.00 27.48 27.74 1ggw h GLN 10 CO 0.08 0.27 0.61 0.00 0.00 0.00 0.00 178.83 179.79 1ggw h ALA 11 N 1.07 1.27 -0.63 3.38 0.00 -0.79 -1.99 119.26 121.57 1ggw h ALA 11 Ca 0.10 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1ggw h ALA 11 Cb -0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.42 1ggw h ALA 11 CO -0.02 0.45 0.35 0.35 0.00 0.00 0.00 179.25 180.39 1ggw h PHE 12 N 1.16 0.64 -0.34 0.00 3.04 -0.86 -1.48 116.94 119.11 1ggw h PHE 12 Ca 0.39 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.34 1ggw h PHE 12 Cb 0.06 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.35 1ggw h PHE 12 CO -0.01 0.32 0.11 0.77 -2.02 0.00 0.00 178.31 177.48 1ggw h SER 13 N 0.66 0.43 -0.06 0.41 0.02 -0.95 -2.14 113.55 111.93 1ggw h SER 13 Ca 0.28 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1ggw h SER 13 Cb 0.15 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1ggw h SER 13 CO -0.17 0.42 0.02 -0.07 -1.14 0.00 0.00 176.83 175.89 1ggw h LEU 14 N 0.48 0.11 -2.36 5.07 3.38 -0.84 -1.67 115.31 119.49 1ggw h LEU 14 Ca 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1ggw h LEU 14 Cb 0.14 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1ggw h LEU 14 CO -0.01 0.12 0.01 0.49 0.09 0.00 0.00 178.44 179.15 1ggw n PHE 15 N -4.48 1.11 -3.64 1.13 3.72 -0.80 -4.85 117.46 109.65 1ggw n PHE 15 Ca -0.02 -0.41 -0.37 0.00 -0.05 0.00 0.00 57.45 56.60 1ggw n PHE 15 Cb 0.12 -0.33 -0.11 0.00 -0.94 0.00 0.00 39.48 38.22 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 -0.39 5.78 0.08 4.37 1.01 -0.63 -4.86 116.67 122.02 1ggw s ASP 16 Ca 0.28 -0.06 -0.31 0.00 0.71 0.00 0.00 52.55 53.18 1ggw s ASP 16 Cb 0.22 -2.06 -0.16 0.00 1.01 0.00 0.00 42.92 41.93 1ggw s ASP 16 CO 0.08 -0.04 1.63 -0.09 0.21 0.00 0.00 175.17 176.97 1ggw h ARG 17 N 8.28 -0.69 0.00 8.23 1.12 -1.88 -3.32 114.38 126.12 1ggw h ARG 17 Ca -0.36 0.05 -0.15 0.00 -1.11 0.00 0.00 59.98 58.41 1ggw h ARG 17 Cb 1.18 0.16 -0.03 0.00 -0.01 0.00 0.00 29.97 31.27 1ggw h ARG 17 CO 0.56 -0.46 -2.06 0.72 -3.11 0.00 0.00 179.97 175.62 1ggw n HIS 18 N -5.43 0.00 -0.71 2.20 8.25 -1.26 -5.03 115.22 113.25 1ggw n HIS 18 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1ggw n HIS 18 Cb 0.33 -0.65 0.00 0.00 1.12 0.00 0.00 29.99 30.78 1ggw n HIS 18 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ggw n GLY 19 N 1.60 0.77 0.10 -1.41 0.00 -1.25 -5.02 105.19 99.97 1ggw n GLY 19 Ca -0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 46.02 45.68 1ggw n GLY 19 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ggw h THR 20 N 0.00 0.55 0.00 2.61 1.35 -1.95 -3.48 112.91 111.98 1ggw h THR 20 Ca 0.00 -2.06 0.00 0.00 -0.55 0.00 0.00 66.41 63.80 1ggw h THR 20 Cb 0.31 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1ggw h THR 20 CO 0.00 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 1ggw n GLY 21 N 1.39 1.36 3.29 5.82 0.00 -1.26 -5.13 105.19 110.66 1ggw n GLY 21 Ca -0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.29 1.17 -0.09 1.61 0.52 -1.26 -3.58 118.95 117.03 1ggw s ARG 22 Ca 0.00 -1.52 -0.07 0.00 -0.52 0.00 0.00 55.73 53.61 1ggw s ARG 22 Cb 0.00 -0.75 0.03 0.00 0.52 0.00 0.00 34.95 34.75 1ggw s ARG 22 CO 0.00 0.07 0.23 0.96 0.02 0.00 0.00 175.30 176.58 1ggw s ILE 23 N -3.25 -0.01 0.70 1.52 -4.36 -1.06 -4.77 121.20 109.98 1ggw s ILE 23 Ca 0.20 0.02 -0.05 0.00 -0.26 0.00 0.00 60.65 60.56 1ggw s ILE 23 Cb 0.02 -0.33 0.08 0.00 1.25 0.00 0.00 42.46 43.48 1ggw s ILE 23 CO 0.03 0.01 1.00 -2.16 0.24 0.00 0.00 174.94 174.06 1ggw s PRO 24 N 0.29 2.07 0.35 0.37 0.04 -1.26 -2.39 135.00 134.46 1ggw s PRO 24 Ca -0.01 -0.45 0.15 0.00 0.04 0.00 0.00 61.00 60.72 1ggw s PRO 24 Cb -0.03 -2.21 1.13 0.00 0.04 0.00 0.00 34.50 33.43 1ggw s PRO 24 CO -0.01 -1.27 1.62 1.57 0.04 0.00 0.00 177.00 178.95 1ggw h LYS 25 N -0.57 0.15 -0.55 4.56 2.10 -1.92 0.21 116.57 120.56 1ggw h LYS 25 Ca -0.43 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.22 1ggw h LYS 25 Cb 1.30 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 32.57 1ggw h LYS 25 CO 0.55 0.10 0.36 1.79 -2.00 0.00 0.00 179.45 180.25 1ggw h THR 26 N 0.15 1.13 -0.09 0.07 1.35 -1.96 -1.64 112.91 111.93 1ggw h THR 26 Ca 0.75 -0.25 -0.03 0.00 -0.55 0.00 0.00 66.41 66.33 1ggw h THR 26 Cb 1.82 0.34 -0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1ggw h THR 26 CO -0.70 0.13 -0.06 0.28 -0.25 0.00 0.00 175.52 174.92 1ggw h SER 27 N 0.73 0.20 -0.60 5.36 0.02 -0.95 -3.15 113.55 115.17 1ggw h SER 27 Ca 0.20 -0.45 0.08 0.00 -0.84 0.00 0.00 61.79 60.78 1ggw h SER 27 Cb -0.08 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 1ggw h SER 27 CO -0.05 0.61 0.40 0.40 -1.14 0.00 0.00 176.83 177.05 1ggw h ILE 28 N -0.20 0.95 0.05 3.27 1.08 -1.24 0.17 117.51 121.59 1ggw h ILE 28 Ca 0.02 -0.17 -0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1ggw h ILE 28 Cb 0.55 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 34.70 1ggw h ILE 28 CO 0.02 0.09 -0.07 1.23 -0.69 0.00 0.00 178.15 178.73 1ggw h GLY 29 N 0.50 -0.87 1.94 5.37 0.00 -1.25 0.15 103.07 108.91 1ggw h GLY 29 Ca 0.27 0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.93 1ggw h GLY 29 CO -0.08 -0.32 -0.22 1.29 0.00 0.00 0.00 176.54 177.22 1ggw h ASP 30 N -0.12 0.07 0.09 0.19 3.04 -1.61 -2.78 116.42 115.29 1ggw h ASP 30 Ca -0.01 -0.02 -0.00 0.00 -3.24 0.00 0.00 57.03 53.76 1ggw h ASP 30 Cb 0.11 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.38 1ggw h ASP 30 CO -0.01 0.30 -0.04 0.25 -2.04 0.00 0.00 179.24 177.69 1ggw h LEU 31 N 0.07 -0.10 -1.83 0.15 5.85 -0.78 -2.39 115.31 116.28 1ggw h LEU 31 Ca 0.01 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1ggw h LEU 31 Cb 0.43 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 1ggw h LEU 31 CO 0.03 -0.02 -0.06 -0.07 -0.34 0.00 0.00 178.44 177.98 1ggw h LEU 32 N -0.16 0.02 -1.23 2.25 3.38 -0.54 -2.16 115.31 116.88 1ggw h LEU 32 Ca -0.01 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.03 1ggw h LEU 32 Cb 0.13 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 1ggw h LEU 32 CO 0.02 0.09 0.56 -0.09 0.09 0.00 0.00 178.44 179.10 1ggw h ARG 33 N 0.02 0.88 0.00 1.13 9.65 -0.84 0.80 114.38 126.03 1ggw h ARG 33 Ca 0.01 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 1ggw h ARG 33 Cb 0.13 -0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 28.50 1ggw h ARG 33 CO 0.01 0.59 -0.11 0.00 2.80 0.00 0.00 179.97 183.25 1ggw h ALA 34 N 1.55 1.72 0.11 2.80 0.00 -1.30 -2.98 119.26 121.16 1ggw h ALA 34 Ca 0.38 -0.10 -0.32 0.00 0.00 0.00 0.00 54.91 54.87 1ggw h ALA 34 Cb 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ggw h ALA 34 CO -0.14 0.14 -1.68 0.00 0.00 0.00 0.00 179.25 177.57 1ggw n GLY 36 N 1.81 -0.02 3.42 0.00 0.00 0.13 -5.02 105.19 105.51 1ggw n GLY 36 Ca -0.29 0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 1.76 -0.25 1.61 -1.52 -1.23 -4.77 119.66 115.26 1ggw s GLN 37 Ca 0.00 -2.03 0.02 0.00 -1.95 0.00 0.00 55.36 51.40 1ggw s GLN 37 Cb 0.00 -0.39 0.05 0.00 -0.22 0.00 0.00 33.01 32.45 1ggw s GLN 37 CO 0.00 -0.44 -0.12 1.21 -0.25 0.00 0.00 175.29 175.69 1ggw s ASN 38 N -3.49 4.20 0.22 5.90 3.04 -1.26 -1.88 114.94 121.67 1ggw s ASN 38 Ca 0.31 -1.21 0.00 0.00 0.04 0.00 0.00 52.86 52.00 1ggw s ASN 38 Cb 0.04 -1.55 0.00 0.00 -1.54 0.00 0.00 41.25 38.20 1ggw s ASN 38 CO 0.17 -0.15 0.00 -0.81 -3.04 0.00 0.00 177.10 173.26 1ggw n PRO 39 N 4.50 1.12 -3.02 0.43 -0.04 -1.26 -5.03 135.00 131.68 1ggw n PRO 39 Ca -0.16 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.10 1ggw n PRO 39 Cb 0.44 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.91 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 0.18 3.60 0.35 0.52 -4.23 -1.26 -4.98 115.64 109.83 1ggw s THR 40 Ca 0.00 -0.71 0.08 0.00 -1.18 0.00 0.00 61.69 59.88 1ggw s THR 40 Cb 0.00 -3.30 0.31 0.00 1.34 0.00 0.00 72.50 70.85 1ggw s THR 40 CO 0.00 -0.18 1.88 -0.07 -0.54 0.00 0.00 174.62 175.72 1ggw h LEU 41 N 0.47 0.68 -1.27 4.79 -0.00 -1.99 0.14 115.31 118.12 1ggw h LEU 41 Ca -0.44 0.03 0.05 0.00 -0.00 0.00 0.00 57.88 57.52 1ggw h LEU 41 Cb 1.27 -0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 41.77 1ggw h LEU 41 CO 0.54 0.36 0.52 0.00 -0.00 0.00 0.00 178.44 179.86 1ggw h ALA 42 N 1.59 1.59 0.41 1.53 0.00 -1.98 0.39 119.26 122.79 1ggw h ALA 42 Ca 0.42 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 1ggw h ALA 42 Cb 0.61 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ggw h ALA 42 CO -0.19 0.30 -0.20 1.49 0.00 0.00 0.00 179.25 180.66 1ggw h GLU 43 N 0.90 -0.53 -0.27 0.00 4.22 -1.35 -0.41 114.58 117.14 1ggw h GLU 43 Ca 0.33 0.04 0.04 0.00 0.08 0.00 0.00 59.36 59.85 1ggw h GLU 43 Cb 0.17 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1ggw h GLU 43 CO -0.11 -0.22 0.06 -0.84 -2.18 0.00 0.00 179.01 175.71 1ggw h ILE 44 N -0.88 0.88 -0.99 2.32 -2.65 -1.27 -1.33 117.51 113.60 1ggw h ILE 44 Ca -0.06 -0.06 0.07 0.00 1.03 0.00 0.00 64.86 65.85 1ggw h ILE 44 Cb 0.55 0.70 -0.07 0.00 -2.05 0.00 0.00 36.82 35.96 1ggw h ILE 44 CO 0.09 0.03 0.64 0.74 0.03 0.00 0.00 178.15 179.68 1ggw h THR 45 N 0.17 1.06 -0.83 0.16 2.02 -0.97 -1.07 112.91 113.46 1ggw h THR 45 Ca 0.12 -0.39 0.03 0.00 0.77 0.00 0.00 66.41 66.95 1ggw h THR 45 Cb 0.12 -0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 66.31 1ggw h THR 45 CO -0.16 0.21 0.53 -0.08 0.37 0.00 0.00 175.52 176.39 1ggw h GLU 46 N 1.13 1.00 -0.05 6.66 4.57 -0.00 -1.20 114.58 126.69 1ggw h GLU 46 Ca 0.43 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.55 1ggw h GLU 46 Cb 0.21 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1ggw h GLU 46 CO -0.18 0.66 0.02 0.82 -1.18 0.00 0.00 179.01 179.16 1ggw h ILE 47 N 1.03 1.11 -0.19 2.32 2.04 -0.28 -2.13 117.51 121.42 1ggw h ILE 47 Ca 0.33 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1ggw h ILE 47 Cb 0.01 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1ggw h ILE 47 CO -0.12 0.09 0.20 -0.33 0.00 0.00 0.00 178.15 178.00 1ggw h GLU 48 N -0.05 0.00 0.00 2.37 5.08 -0.81 -1.05 114.58 120.12 1ggw h GLU 48 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ggw h GLU 48 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1ggw h GLU 48 CO -0.00 0.00 0.00 0.45 -1.00 0.00 0.00 179.01 178.46 1ggw n SER 49 N -3.84 0.00 -0.02 1.42 2.88 -0.50 -3.52 113.62 110.05 1ggw n SER 49 Ca 0.02 0.37 -0.03 0.00 -1.33 0.00 0.00 58.87 57.89 1ggw n SER 49 Cb 0.33 -0.41 -0.01 0.00 -0.75 0.00 0.00 64.21 63.37 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 -1.41 0.17 -2.68 2.46 -2.24 -0.41 -5.06 114.28 105.11 1ggw n THR 50 Ca 0.02 -0.04 -0.29 0.00 -2.27 0.00 0.00 64.05 61.47 1ggw n THR 50 Cb 0.07 -1.45 -0.01 0.00 -2.10 0.00 0.00 70.33 66.84 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 -6.07 3.68 0.50 3.22 2.01 -1.13 -5.02 118.68 115.88 1ggw s LEU 51 Ca -0.04 1.02 -0.18 0.00 0.01 0.00 0.00 54.13 54.93 1ggw s LEU 51 Cb 0.02 -3.95 -0.14 0.00 0.01 0.00 0.00 46.19 42.12 1ggw s LEU 51 CO 0.05 -0.53 -0.04 -2.65 1.01 0.00 0.00 176.35 174.20 1ggw n PRO 52 N -1.95 0.05 -0.16 1.29 -0.02 -1.26 -4.69 135.00 128.26 1ggw n PRO 52 Ca 0.01 0.02 -0.04 0.00 -2.02 0.00 0.00 63.50 61.47 1ggw n PRO 52 Cb 0.55 -1.07 -0.04 0.00 -0.02 0.00 0.00 33.50 32.92 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 -1.48 -0.24 -2.70 3.55 0.00 -1.26 -4.06 120.51 114.32 1ggw n ALA 53 Ca 0.09 0.32 -0.39 0.00 0.00 0.00 0.00 53.44 53.46 1ggw n ALA 53 Cb 0.47 0.06 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 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 -4.46 4.32 -0.97 0.00 2.02 -1.26 -4.93 118.70 113.42 1ggw s GLU 54 Ca -0.05 0.61 -0.20 0.00 0.02 0.00 0.00 54.97 55.35 1ggw s GLU 54 Cb 0.04 -3.49 0.11 0.00 0.10 0.00 0.00 34.13 30.89 1ggw s GLU 54 CO 0.24 -0.00 1.23 0.08 0.02 0.00 0.00 175.26 176.82 1ggw s VAL 55 N 1.11 4.51 0.91 2.63 1.01 -1.00 -4.83 120.40 124.74 1ggw s VAL 55 Ca 0.30 -1.39 -0.11 0.00 0.00 0.00 0.00 61.98 60.77 1ggw s VAL 55 Cb -0.16 -4.86 0.20 0.00 0.00 0.00 0.00 36.38 31.55 1ggw s VAL 55 CO 0.12 -1.63 1.25 1.51 0.00 0.00 0.00 175.10 176.34 1ggw s ASP 56 N 3.98 3.28 0.30 3.32 1.47 -1.26 -2.56 116.67 125.20 1ggw s ASP 56 Ca 0.37 -0.05 0.01 0.00 1.18 0.00 0.00 52.55 54.06 1ggw s ASP 56 Cb -0.03 -0.00 0.74 0.00 -0.34 0.00 0.00 42.92 43.28 1ggw s ASP 56 CO -0.09 -2.60 1.58 0.24 0.68 0.00 0.00 175.17 174.98 1ggw h MET 57 N -1.38 0.04 0.15 2.11 2.86 -1.95 0.16 114.93 116.91 1ggw h MET 57 Ca -0.41 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.22 1ggw h MET 57 Cb 1.23 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1ggw h MET 57 CO 0.34 0.02 -0.07 1.49 1.06 0.00 0.00 176.91 179.75 1ggw h GLU 58 N 0.04 -0.20 -0.07 1.72 4.81 -1.92 -2.09 114.58 116.87 1ggw h GLU 58 Ca 0.58 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.85 1ggw h GLU 58 Cb 1.20 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 1ggw h GLU 58 CO -0.87 0.15 -0.08 1.96 -0.73 0.00 0.00 179.01 179.44 1ggw h GLN 59 N -0.57 -0.11 -0.15 1.92 7.50 -1.47 0.58 115.11 122.82 1ggw h GLN 59 Ca -0.02 0.01 0.01 0.00 0.50 0.00 0.00 58.65 59.15 1ggw h GLN 59 Cb 0.44 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.98 1ggw h GLN 59 CO 0.03 -0.07 0.06 0.35 -1.50 0.00 0.00 178.83 177.71 1ggw h PHE 60 N -0.11 0.12 -0.90 2.96 3.57 -0.84 -2.58 116.94 119.16 1ggw h PHE 60 Ca 0.06 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1ggw h PHE 60 Cb 0.19 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 1ggw h PHE 60 CO -0.18 0.07 0.54 -0.07 -2.23 0.00 0.00 178.31 176.44 1ggw h LEU 61 N 0.15 1.08 -0.29 0.59 3.38 -1.18 0.50 115.31 119.52 1ggw h LEU 61 Ca 0.06 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1ggw h LEU 61 Cb 0.02 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 1ggw h LEU 61 CO -0.05 0.82 -0.00 1.56 0.09 0.00 0.00 178.44 180.86 1ggw h GLN 62 N 1.24 0.08 0.02 1.13 4.20 -0.50 -0.42 115.11 120.85 1ggw h GLN 62 Ca 0.32 -0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.80 1ggw h GLN 62 Cb -0.06 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1ggw h GLN 62 CO -0.06 0.05 -0.97 -0.39 -0.67 0.00 0.00 178.83 176.79 1ggw h VAL 63 N 0.08 1.42 -0.81 -0.54 -1.51 -1.27 -3.27 116.25 110.36 1ggw h VAL 63 Ca 0.14 -2.54 -0.00 0.00 -1.23 0.00 0.00 66.70 63.07 1ggw h VAL 63 Cb 0.18 2.49 -0.04 0.00 -2.13 0.00 0.00 31.29 31.79 1ggw h VAL 63 CO -0.24 0.75 0.49 0.25 -1.23 0.00 0.00 177.57 177.60 1ggw h LEU 64 N 0.20 0.96 -4.24 4.19 5.85 -0.57 -2.47 115.31 119.22 1ggw h LEU 64 Ca -0.08 -0.05 -0.67 0.00 0.84 0.00 0.00 57.88 57.92 1ggw h LEU 64 Cb 1.61 -0.24 -0.27 0.00 0.37 0.00 0.00 40.66 42.13 1ggw h LEU 64 CO 0.16 0.73 0.87 0.59 -0.34 0.00 0.00 178.44 180.46 1ggw n ASN 65 N -4.38 7.52 0.20 1.25 3.02 -0.19 -4.68 115.26 117.98 1ggw n ASN 65 Ca 0.09 -3.72 -0.08 0.00 -0.03 0.00 0.00 54.58 50.84 1ggw n ASN 65 Cb 0.06 -1.02 -0.04 0.00 -0.61 0.00 0.00 39.78 38.17 1ggw n ASN 65 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1ggw h ARG 66 N 2.26 -0.49 -0.75 3.52 3.08 -1.52 -3.29 114.38 117.19 1ggw h ARG 66 Ca 0.56 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.65 1ggw h ARG 66 Cb 0.61 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1ggw h ARG 66 CO 1.46 -0.33 0.00 -0.35 -1.07 0.00 0.00 179.97 179.68 1ggw n PRO 67 N -3.50 2.17 0.00 0.04 -0.04 -1.26 -4.84 135.00 127.56 1ggw n PRO 67 Ca -0.06 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.38 1ggw n PRO 67 Cb 0.20 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 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 0.21 0.00 0.00 3.54 2.85 -1.24 -4.81 115.26 115.81 1ggw n ASN 68 Ca 0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.56 1ggw n ASN 68 Cb 0.50 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.52 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 0.00 -2.28 0.56 8.20 0.00 -1.26 -4.87 105.19 105.54 1ggw n GLY 69 Ca 0.00 0.79 -0.06 0.00 0.00 0.00 0.00 46.02 46.75 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 -0.21 0.00 -2.20 1.61 3.72 -1.26 -3.82 117.46 115.30 1ggw n PHE 70 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1ggw n PHE 70 Cb 0.00 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.31 1ggw n PHE 70 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1ggw n ASP 71 N -3.11 5.40 0.00 4.37 5.75 -1.26 -4.08 116.55 123.63 1ggw n ASP 71 Ca -0.12 -3.07 0.00 0.00 -0.01 0.00 0.00 54.79 51.58 1ggw n ASP 71 Cb 0.60 -1.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.20 1ggw n ASP 71 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 1ggw n MET 72 N 3.83 0.00 -0.27 0.11 1.56 -1.26 -4.96 117.12 116.13 1ggw n MET 72 Ca 0.45 0.00 0.08 0.00 -0.27 0.00 0.00 57.70 57.96 1ggw n MET 72 Cb 0.35 0.00 0.21 0.00 2.15 0.00 0.00 33.22 35.92 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 0.14 0.00 2.12 0.11 -1.82 -3.39 132.00 129.16 1ggw h PRO 73 Ca 0.00 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.00 1ggw h PRO 73 Cb 0.00 -0.03 -0.11 0.00 0.11 0.00 0.00 31.00 30.97 1ggw h PRO 73 CO 0.00 0.09 0.05 0.41 -0.21 0.00 0.00 178.00 178.34 1ggw n GLY 74 N -1.41 -1.45 3.79 -0.55 0.00 -1.26 -5.03 105.19 99.27 1ggw n GLY 74 Ca 0.17 0.85 -0.37 0.00 0.00 0.00 0.00 46.02 46.67 1ggw n GLY 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ggw s ASP 75 N -0.24 7.28 0.08 1.61 2.15 -1.26 -4.87 116.67 121.42 1ggw s ASP 75 Ca 0.21 1.77 -0.22 0.00 0.43 0.00 0.00 52.55 54.74 1ggw s ASP 75 Cb 0.29 -2.55 -0.12 0.00 -0.30 0.00 0.00 42.92 40.23 1ggw s ASP 75 CO -0.18 -0.07 1.63 -0.65 -0.17 0.00 0.00 175.17 175.73 1ggw h PRO 76 N 3.14 0.16 -0.03 4.34 0.11 -1.95 -2.50 132.00 135.27 1ggw h PRO 76 Ca -0.47 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1ggw h PRO 76 Cb 1.19 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1ggw h PRO 76 CO 0.65 0.24 -0.16 1.49 -0.21 0.00 0.00 178.00 180.01 1ggw h GLU 77 N 0.04 0.04 -0.35 1.05 4.57 -2.00 -2.41 114.58 115.52 1ggw h GLU 77 Ca 0.04 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.14 1ggw h GLU 77 Cb 0.14 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1ggw h GLU 77 CO -0.00 0.20 -0.07 1.49 -1.18 0.00 0.00 179.01 179.45 1ggw h GLU 78 N 0.04 0.67 -0.54 1.92 4.81 -1.90 -2.23 114.58 117.35 1ggw h GLU 78 Ca 0.01 -0.25 -0.11 0.00 -0.13 0.00 0.00 59.36 58.88 1ggw h GLU 78 Cb 0.31 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1ggw h GLU 78 CO 0.02 0.82 -0.09 0.27 -0.73 0.00 0.00 179.01 179.30 1ggw h PHE 79 N 0.46 1.11 -0.20 0.92 -5.15 -1.15 -1.38 116.94 111.54 1ggw h PHE 79 Ca 0.09 -0.22 -0.00 0.00 -0.20 0.00 0.00 57.97 57.64 1ggw h PHE 79 Cb 0.56 -0.28 -0.01 0.00 0.22 0.00 0.00 35.95 36.44 1ggw h PHE 79 CO 0.05 1.03 0.11 0.28 -2.00 0.00 0.00 178.31 177.78 1ggw h VAL 80 N 0.89 1.10 -0.06 0.88 2.07 -1.38 -2.65 116.25 117.10 1ggw h VAL 80 Ca 0.14 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.31 1ggw h VAL 80 Cb 0.65 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1ggw h VAL 80 CO 0.04 0.10 -0.37 0.11 0.02 0.00 0.00 177.57 177.47 1ggw h LYS 81 N 0.22 0.12 -0.19 1.57 6.56 -1.35 -1.91 116.57 121.58 1ggw h LYS 81 Ca 0.07 -0.05 -0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1ggw h LYS 81 Cb 0.05 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.70 1ggw h LYS 81 CO -0.01 0.47 0.10 0.78 -2.06 0.00 0.00 179.45 178.73 1ggw h GLY 82 N 1.15 0.29 1.78 3.86 0.00 -0.92 -2.99 103.07 106.24 1ggw h GLY 82 Ca 0.01 -0.14 -0.18 0.00 0.00 0.00 0.00 47.33 47.02 1ggw h GLY 82 CO 0.05 0.13 -0.80 0.74 0.00 0.00 0.00 176.54 176.66 1ggw h PHE 83 N 0.20 0.30 -0.26 5.60 -1.00 -1.45 -3.37 116.94 116.96 1ggw h PHE 83 Ca 0.07 -0.15 -0.68 0.00 2.81 0.00 0.00 57.97 60.01 1ggw h PHE 83 Cb 0.08 -0.04 -0.04 0.00 3.61 0.00 0.00 35.95 39.56 1ggw h PHE 83 CO -0.03 0.92 2.74 0.94 -1.61 0.00 0.00 178.31 181.26 1ggw n GLN 84 N -3.72 2.80 0.06 1.51 0.00 -0.72 -4.21 117.38 113.09 1ggw n GLN 84 Ca -0.03 -2.73 0.00 0.00 -0.00 0.00 0.00 57.00 54.24 1ggw n GLN 84 Cb 0.75 -3.34 0.00 0.00 0.00 0.00 0.00 30.24 27.66 1ggw n GLN 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1ggw n VAL 85 N 5.64 0.18 -1.52 1.69 0.31 -1.26 -4.86 118.33 118.50 1ggw n VAL 85 Ca 0.51 0.06 -0.19 0.00 -0.01 0.00 0.00 64.34 64.71 1ggw n VAL 85 Cb 0.41 -0.55 0.13 0.00 -0.91 0.00 0.00 33.84 32.93 1ggw n VAL 85 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1ggw n PHE 86 N -2.98 2.23 -2.59 3.52 3.72 -1.26 -4.62 117.46 115.48 1ggw n PHE 86 Ca 0.00 -2.11 -0.16 0.00 -0.05 0.00 0.00 57.45 55.14 1ggw n PHE 86 Cb 0.00 -0.75 0.02 0.00 -0.94 0.00 0.00 39.48 37.81 1ggw n PHE 86 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ggw n ASP 87 N -1.00 2.66 0.11 4.37 2.03 -1.26 -4.90 116.55 118.56 1ggw n ASP 87 Ca 0.46 -3.07 -0.12 0.00 0.52 0.00 0.00 54.79 52.58 1ggw n ASP 87 Cb 1.03 -0.50 -0.08 0.00 -0.72 0.00 0.00 41.12 40.85 1ggw n ASP 87 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1ggw h LYS 88 N 2.83 -0.32 0.05 -0.67 1.63 -1.94 -3.37 116.57 114.79 1ggw h LYS 88 Ca 0.05 0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.74 1ggw h LYS 88 Cb 1.09 0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1ggw h LYS 88 CO 0.62 0.04 -0.67 0.22 -3.45 0.00 0.00 179.45 176.21 1ggw h ASP 89 N -0.83 0.18 -5.41 4.20 1.82 -1.99 -3.49 116.42 110.89 1ggw h ASP 89 Ca -0.03 -0.87 -0.09 0.00 -0.39 0.00 0.00 57.03 55.64 1ggw h ASP 89 Cb 0.51 -0.06 0.07 0.00 0.68 0.00 0.00 39.33 40.53 1ggw h ASP 89 CO 0.06 1.29 -0.30 0.00 -1.61 0.00 0.00 179.24 178.68 1ggw n ALA 90 N -2.83 -2.50 -2.93 -0.78 0.00 -1.26 -4.94 120.51 105.26 1ggw n ALA 90 Ca -0.18 0.04 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 1ggw n ALA 90 Cb 0.67 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 17.20 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 -2.27 5.28 -2.65 0.00 -1.04 -1.26 -4.73 114.28 107.61 1ggw n THR 91 Ca -0.03 -5.90 -0.09 0.00 -2.04 0.00 0.00 64.05 55.99 1ggw n THR 91 Cb 0.54 -1.91 0.05 0.00 -1.82 0.00 0.00 70.33 67.18 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 0.86 -0.20 3.65 3.41 0.00 -1.26 -5.05 105.19 106.59 1ggw n GLY 92 Ca 0.32 0.08 -0.04 0.00 0.00 0.00 0.00 46.02 46.38 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 -4.20 0.21 -0.17 1.61 0.23 -1.26 -4.16 119.30 111.55 1ggw s MET 93 Ca 0.16 0.26 -0.00 0.00 -1.03 0.00 0.00 55.69 55.08 1ggw s MET 93 Cb -0.02 0.09 -0.10 0.00 -1.53 0.00 0.00 34.83 33.27 1ggw s MET 93 CO 0.43 -0.03 -0.16 1.51 -2.03 0.00 0.00 175.02 174.74 1ggw n ILE 94 N 2.01 0.96 -2.20 3.16 0.00 -1.26 -4.68 119.36 117.35 1ggw n ILE 94 Ca -0.12 -0.34 -0.04 0.00 0.00 0.00 0.00 62.75 62.25 1ggw n ILE 94 Cb 0.57 -1.20 0.00 0.00 0.00 0.00 0.00 39.64 39.01 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 2.57 -0.98 0.47 4.50 0.00 -1.20 -4.75 105.19 105.80 1ggw n GLY 95 Ca -0.30 0.54 0.33 0.00 0.00 0.00 0.00 46.02 46.59 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 0.93 0.27 -0.94 1.61 2.07 0.18 -0.37 116.25 120.01 1ggw h VAL 96 Ca 0.00 -0.06 0.24 0.00 0.82 0.00 0.00 66.70 67.70 1ggw h VAL 96 Cb 0.56 0.09 -0.13 0.00 -1.52 0.00 0.00 31.29 30.29 1ggw h VAL 96 CO 0.11 0.03 0.46 1.23 0.02 0.00 0.00 177.57 179.41 1ggw h GLY 97 N 0.16 1.69 1.49 2.17 0.00 -1.82 0.45 103.07 107.22 1ggw h GLY 97 Ca 0.73 -0.20 -0.30 0.00 0.00 0.00 0.00 47.33 47.56 1ggw h GLY 97 CO -0.31 -0.30 -1.34 1.05 0.00 0.00 0.00 176.54 175.65 1ggw h GLU 98 N 0.42 0.37 -0.50 4.80 4.11 -1.36 -2.49 114.58 119.92 1ggw h GLU 98 Ca 0.60 -0.63 -0.11 0.00 0.07 0.00 0.00 59.36 59.30 1ggw h GLU 98 Cb 1.19 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 1ggw h GLU 98 CO -0.53 1.30 -0.10 1.37 0.07 0.00 0.00 179.01 181.11 1ggw h LEU 99 N 0.10 0.96 -0.25 3.06 8.10 -1.12 -2.73 115.31 123.43 1ggw h LEU 99 Ca -0.18 -0.35 -0.21 0.00 0.11 0.00 0.00 57.88 57.25 1ggw h LEU 99 Cb 2.04 -0.26 0.00 0.00 -0.44 0.00 0.00 40.66 42.01 1ggw h LEU 99 CO 0.23 1.09 -0.73 0.08 -4.11 0.00 0.00 178.44 175.00 1ggw h ARG 100 N 0.82 0.71 -0.52 0.17 -0.00 -0.27 -2.73 114.38 112.55 1ggw h ARG 100 Ca 0.13 -0.55 0.06 0.00 -0.00 0.00 0.00 59.98 59.61 1ggw h ARG 100 Cb 0.66 0.11 -0.05 0.00 -0.00 0.00 0.00 29.97 30.69 1ggw h ARG 100 CO 0.05 1.17 0.24 -0.92 -0.00 0.00 0.00 179.97 180.51 1ggw h TYR 101 N 0.50 0.44 -0.21 4.08 3.20 -1.38 0.52 116.97 124.11 1ggw h TYR 101 Ca -0.04 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1ggw h TYR 101 Cb 1.34 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 1ggw h TYR 101 CO 0.07 0.19 0.02 0.28 -1.64 0.00 0.00 178.16 177.08 1ggw h VAL 102 N 0.47 1.24 -0.42 1.81 2.07 -1.52 -2.21 116.25 117.69 1ggw h VAL 102 Ca 0.24 -0.82 -0.10 0.00 0.82 0.00 0.00 66.70 66.84 1ggw h VAL 102 Cb 0.19 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1ggw h VAL 102 CO -0.19 0.25 -0.16 -0.07 0.02 0.00 0.00 177.57 177.42 1ggw h LEU 103 N 0.14 0.80 -0.39 2.57 3.38 -1.14 -2.89 115.31 117.77 1ggw h LEU 103 Ca 0.06 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 1ggw h LEU 103 Cb 0.36 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1ggw h LEU 103 CO 0.01 0.96 -0.08 0.74 0.09 0.00 0.00 178.44 180.16 1ggw h THR 104 N 0.71 1.27 0.00 0.22 2.02 0.06 -2.79 112.91 114.40 1ggw h THR 104 Ca 0.11 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.14 1ggw h THR 104 Cb 0.66 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1ggw h THR 104 CO 0.05 0.38 0.00 0.77 0.37 0.00 0.00 175.52 177.09 1ggw h SER 105 N 0.55 0.00 0.31 4.18 4.64 -1.36 -2.38 113.55 119.49 1ggw h SER 105 Ca 0.10 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 1ggw h SER 105 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1ggw h SER 105 CO 0.03 0.00 -0.15 -0.07 -0.87 0.00 0.00 176.83 175.78 1ggw h LEU 106 N 0.00 -0.35 -4.95 5.97 3.38 -1.28 -3.45 115.31 114.63 1ggw h LEU 106 Ca 0.00 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 1ggw h LEU 106 Cb 0.32 0.09 -0.13 0.00 0.09 0.00 0.00 40.66 41.03 1ggw h LEU 106 CO 0.00 -0.16 -0.18 0.61 0.09 0.00 0.00 178.44 178.80 1ggw n GLY 107 N -0.15 0.71 3.45 0.83 0.00 -1.23 -4.98 105.19 103.82 1ggw n GLY 107 Ca -0.05 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.62 -7.35 0.00 1.61 -0.58 -0.90 -5.02 120.64 107.78 1ggw n GLU 108 Ca -0.11 0.78 0.00 0.00 -0.42 0.00 0.00 57.16 57.41 1ggw n GLU 108 Cb 0.78 -5.69 0.00 0.00 -0.57 0.00 0.00 31.44 25.96 1ggw n GLU 108 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1ggw n LYS 109 N -4.64 2.73 -2.01 3.49 3.00 -1.19 -4.63 118.16 114.92 1ggw n LYS 109 Ca -0.03 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.01 1ggw n LYS 109 Cb 0.57 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.53 1ggw n LYS 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1ggw s LEU 110 N 0.00 2.95 0.00 3.14 1.43 -1.26 -4.84 118.68 120.11 1ggw s LEU 110 Ca 0.00 -1.60 -0.01 0.00 -1.03 0.00 0.00 54.13 51.49 1ggw s LEU 110 Cb 0.00 -2.59 0.02 0.00 0.03 0.00 0.00 46.19 43.64 1ggw s LEU 110 CO 0.00 -3.32 0.05 -1.54 0.23 0.00 0.00 176.35 171.77 1ggw n SER 111 N 15.12 -1.43 -0.18 2.29 3.41 -1.26 -4.58 113.62 126.99 1ggw n SER 111 Ca 0.44 -0.35 0.18 0.00 -0.26 0.00 0.00 58.87 58.88 1ggw n SER 111 Cb 0.47 -0.05 0.54 0.00 -0.26 0.00 0.00 64.21 64.91 1ggw n SER 111 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ggw h ASN 112 N -1.44 0.32 -0.12 4.04 -1.07 -1.91 -2.06 115.58 113.35 1ggw h ASN 112 Ca -0.02 0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.38 1ggw h ASN 112 Cb 0.06 -0.04 -0.01 0.00 -2.07 0.00 0.00 38.32 36.26 1ggw h ASN 112 CO 0.01 0.15 0.07 -0.08 0.07 0.00 0.00 177.43 177.65 1ggw h GLU 113 N 0.34 0.15 0.29 4.14 4.57 -1.97 0.54 114.58 122.63 1ggw h GLU 113 Ca 0.40 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.56 1ggw h GLU 113 Cb 1.05 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.61 1ggw h GLU 113 CO -0.12 0.10 -0.18 0.93 -1.18 0.00 0.00 179.01 178.56 1ggw h GLU 114 N 0.15 -0.43 0.00 1.92 4.39 -1.67 -2.33 114.58 116.62 1ggw h GLU 114 Ca 0.05 0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.73 1ggw h GLU 114 Cb -0.01 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1ggw h GLU 114 CO -0.02 -0.29 -0.22 0.00 -1.16 0.00 0.00 179.01 177.32 1ggw h MET 115 N -0.45 0.00 -0.33 2.33 -0.00 -1.45 -2.75 114.93 112.29 1ggw h MET 115 Ca -0.03 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.69 1ggw h MET 115 Cb 0.37 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.94 1ggw h MET 115 CO 0.03 0.22 0.18 -0.44 -0.00 0.00 0.00 176.91 176.90 1ggw h ASP 116 N 0.00 0.28 -0.35 -0.10 3.32 0.62 0.17 116.42 120.37 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 0.51 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1ggw h ASP 116 CO 0.03 0.21 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.37 1ggw h GLU 117 N 0.37 0.66 -0.80 3.56 4.39 -1.27 -1.74 114.58 119.75 1ggw h GLU 117 Ca 0.13 -0.24 0.03 0.00 0.34 0.00 0.00 59.36 59.62 1ggw h GLU 117 Cb 0.02 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.58 1ggw h GLU 117 CO -0.08 0.80 0.52 1.37 -1.16 0.00 0.00 179.01 180.46 1ggw h LEU 118 N 0.46 0.86 -0.97 1.33 8.10 -1.19 -1.87 115.31 122.03 1ggw h LEU 118 Ca 0.09 -0.01 -0.10 0.00 0.11 0.00 0.00 57.88 57.98 1ggw h LEU 118 Cb 0.54 -0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 40.55 1ggw h LEU 118 CO 0.03 0.60 -0.32 -0.07 -4.11 0.00 0.00 178.44 174.57 1ggw h LEU 119 N 1.02 0.36 -0.96 0.17 3.38 -0.55 -2.54 115.31 116.18 1ggw h LEU 119 Ca 0.31 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1ggw h LEU 119 Cb -0.02 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1ggw h LEU 119 CO -0.10 0.67 0.54 0.50 0.09 0.00 0.00 178.44 180.14 1ggw h LYS 120 N 0.31 1.26 -0.03 1.13 1.63 -0.50 -3.12 116.57 117.25 1ggw h LYS 120 Ca 0.04 -0.12 -0.04 0.00 -0.85 0.00 0.00 60.65 59.68 1ggw h LYS 120 Cb 0.72 -0.26 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 1ggw h LYS 120 CO 0.06 0.89 -0.13 0.78 -3.45 0.00 0.00 179.45 177.60 1ggw h GLY 121 N 1.28 0.16 -5.19 5.01 0.00 -1.27 -3.44 103.07 99.62 1ggw h GLY 121 Ca 0.33 -0.21 -0.57 0.00 0.00 0.00 0.00 47.33 46.88 1ggw h GLY 121 CO -0.06 0.19 0.37 0.14 0.00 0.00 0.00 176.54 177.18 1ggw s VAL 122 N -3.65 4.89 -1.38 4.60 1.01 -0.97 -4.96 120.40 119.93 1ggw s VAL 122 Ca -0.16 1.68 -0.11 0.00 0.00 0.00 0.00 61.98 63.39 1ggw s VAL 122 Cb 0.02 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 1ggw s VAL 122 CO 0.72 0.06 2.54 -0.81 0.00 0.00 0.00 175.10 177.61 1ggw n PRO 123 N 4.93 3.01 -4.50 2.72 -0.04 -1.26 -4.76 135.00 135.10 1ggw n PRO 123 Ca 0.04 -2.13 -0.26 0.00 -0.04 0.00 0.00 63.50 61.12 1ggw n PRO 123 Cb 0.49 -2.86 -0.08 0.00 -0.04 0.00 0.00 33.50 31.01 1ggw n PRO 123 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ggw s VAL 124 N 2.89 0.46 -0.10 0.52 -7.23 -1.26 -5.13 120.40 110.54 1ggw s VAL 124 Ca 0.58 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.78 1ggw s VAL 124 Cb 0.15 -2.31 -0.00 0.00 0.56 0.00 0.00 36.38 34.78 1ggw s VAL 124 CO -0.05 0.00 -0.23 -0.54 -0.31 0.00 0.00 175.10 173.97 1ggw s LYS 125 N -3.64 3.06 -0.07 4.82 1.02 -1.26 -4.60 119.74 119.07 1ggw s LYS 125 Ca 0.24 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.37 1ggw s LYS 125 Cb 0.02 -2.33 0.00 0.00 -0.52 0.00 0.00 37.83 34.99 1ggw s LYS 125 CO 0.16 0.19 0.00 -3.47 -0.92 0.00 0.00 175.35 171.32 1ggw n ASP 126 N 3.49 -4.39 -2.18 2.83 2.03 -1.26 -3.24 116.55 113.82 1ggw n ASP 126 Ca -0.19 0.02 -0.11 0.00 0.52 0.00 0.00 54.79 55.03 1ggw n ASP 126 Cb 0.53 -1.95 0.04 0.00 -0.72 0.00 0.00 41.12 39.02 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 -1.17 0.11 3.43 0.27 0.00 -1.26 -0.68 105.19 105.89 1ggw n GLY 127 Ca -0.01 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 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 -5.25 3.24 0.00 1.61 0.00 -1.20 -1.52 119.30 116.18 1ggw s MET 128 Ca 0.17 -0.79 0.14 0.00 0.00 0.00 0.00 55.69 55.21 1ggw s MET 128 Cb -0.07 -3.63 0.23 0.00 0.00 0.00 0.00 34.83 31.36 1ggw s MET 128 CO 0.38 -0.48 1.07 0.28 0.00 0.00 0.00 175.02 176.26 1ggw n VAL 129 N 5.00 0.00 -1.60 10.11 0.31 -1.26 -4.71 118.33 126.18 1ggw n VAL 129 Ca -0.13 -0.53 -0.17 0.00 -0.01 0.00 0.00 64.34 63.49 1ggw n VAL 129 Cb 0.48 0.74 -0.07 0.00 -0.91 0.00 0.00 33.84 34.09 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 0.27 -4.55 -3.84 4.52 5.15 -1.26 -2.37 115.26 113.18 1ggw n ASN 130 Ca 0.01 0.38 -0.30 0.00 -0.60 0.00 0.00 54.58 54.07 1ggw n ASN 130 Cb 0.93 -4.08 -0.01 0.00 -0.53 0.00 0.00 39.78 36.10 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 -2.31 -1.87 -0.02 1.20 9.36 -1.26 -4.74 117.16 117.52 1ggw n TYR 131 Ca -0.17 0.69 -0.03 0.00 3.32 0.00 0.00 57.90 61.71 1ggw n TYR 131 Cb 0.57 -3.13 -0.02 0.00 -0.63 0.00 0.00 39.34 36.13 1ggw n TYR 131 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69 1ggw n HIS 132 N -4.27 0.00 -0.10 2.98 1.44 -1.00 -4.47 115.22 109.80 1ggw n HIS 132 Ca 0.04 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.69 1ggw n HIS 132 Cb 0.51 -0.16 0.11 0.00 0.12 0.00 0.00 29.99 30.58 1ggw n HIS 132 CO 0.00 0.00 0.00 0.22 -2.81 0.00 0.00 176.34 173.75 1ggw h ASP 133 N 0.00 0.79 0.30 4.39 3.58 -1.88 0.87 116.42 124.46 1ggw h ASP 133 Ca -0.09 -0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.10 1ggw h ASP 133 Cb 1.15 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1ggw h ASP 133 CO -0.01 0.93 -0.14 -0.26 -2.88 0.00 0.00 179.24 176.87 1ggw h PHE 134 N 0.72 -0.38 -0.14 0.28 0.04 -1.89 -2.54 116.94 113.03 1ggw h PHE 134 Ca 0.12 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.85 1ggw h PHE 134 Cb 0.61 0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.87 1ggw h PHE 134 CO 0.03 -0.03 -0.03 0.28 -0.60 0.00 0.00 178.31 177.96 1ggw h VAL 135 N -0.80 1.12 0.04 -0.55 2.07 -1.78 -2.34 116.25 114.01 1ggw h VAL 135 Ca -0.04 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1ggw h VAL 135 Cb 0.51 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1ggw h VAL 135 CO 0.07 0.15 -0.02 -0.61 0.02 0.00 0.00 177.57 177.18 1ggw h GLN 136 N 0.21 -0.05 -0.18 1.57 4.15 -0.78 -1.99 115.11 118.04 1ggw h GLN 136 Ca 0.05 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 1ggw h GLN 136 Cb 0.20 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1ggw h GLN 136 CO 0.01 0.06 -0.04 1.98 -1.93 0.00 0.00 178.83 178.91 1ggw h MET 137 N -0.15 0.27 -0.15 1.69 4.05 -1.19 -2.75 114.93 116.71 1ggw h MET 137 Ca -0.00 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 1ggw h MET 137 Cb 0.13 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 1ggw h MET 137 CO 0.01 0.33 0.07 0.82 0.23 0.00 0.00 176.91 178.38 1ggw h ILE 138 N 0.27 1.12 -2.10 1.77 1.08 -1.04 -3.12 117.51 115.49 1ggw h ILE 138 Ca 0.06 -0.36 -0.78 0.00 -0.39 0.00 0.00 64.86 63.39 1ggw h ILE 138 Cb 0.25 1.08 -0.28 0.00 -3.07 0.00 0.00 36.82 34.81 1ggw h ILE 138 CO 0.01 0.12 0.99 0.18 -0.69 0.00 0.00 178.15 178.75 1ggw n LEU 139 N -4.90 7.35 -3.12 1.44 4.32 -0.78 -4.68 117.00 116.62 1ggw n LEU 139 Ca -0.05 -5.10 -0.21 0.00 -0.02 0.00 0.00 56.01 50.64 1ggw n LEU 139 Cb 0.09 -1.09 -0.03 0.00 -1.62 0.00 0.00 43.42 40.77 1ggw n LEU 139 CO 0.34 1.90 -0.12 0.00 -1.22 0.00 0.00 177.39 178.29 1ggw n ALA 140 N -0.33 2.76 -0.47 -1.18 0.00 -1.15 -4.95 120.51 115.18 1ggw n ALA 140 Ca 0.50 -3.77 0.00 0.00 0.00 0.00 0.00 53.44 50.17 1ggw n ALA 140 Cb 0.26 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1ggw n ALA 140 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59