#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 2.16 -2.73 0.44 -2.24 -1.26 -4.22 114.28 106.43 1ggw n THR 3 Ca 0.00 -1.10 -0.08 0.00 -2.27 0.00 0.00 64.05 60.59 1ggw n THR 3 Cb 0.00 -0.51 0.09 0.00 -2.10 0.00 0.00 70.33 67.81 1ggw n THR 3 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ggw n ASP 4 N -0.10 -1.32 -4.62 3.42 5.68 -1.26 -5.11 116.55 113.23 1ggw n ASP 4 Ca 0.29 -2.82 -0.43 0.00 -0.50 0.00 0.00 54.79 51.33 1ggw n ASP 4 Cb 1.09 0.89 -0.02 0.00 -1.14 0.00 0.00 41.12 41.94 1ggw n ASP 4 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1ggw s ASP 5 N -1.59 6.45 0.08 -1.12 1.01 -1.26 -4.91 116.67 115.34 1ggw s ASP 5 Ca 0.24 1.36 -0.19 0.00 0.71 0.00 0.00 52.55 54.67 1ggw s ASP 5 Cb 0.38 -2.54 -0.08 0.00 1.01 0.00 0.00 42.92 41.69 1ggw s ASP 5 CO -0.06 -1.24 1.53 -1.28 0.21 0.00 0.00 175.17 174.33 1ggw h SER 6 N 10.33 0.41 1.57 0.27 0.87 -1.97 0.49 113.55 125.53 1ggw h SER 6 Ca -0.30 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 59.96 1ggw h SER 6 Cb 1.13 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 1ggw h SER 6 CO 1.02 0.60 0.00 -0.65 -0.53 0.00 0.00 176.83 177.28 1ggw h PRO 7 N 0.21 0.00 0.00 2.24 0.11 -1.95 0.51 132.00 133.11 1ggw h PRO 7 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1ggw h PRO 7 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1ggw h PRO 7 CO 0.01 0.00 -0.45 0.66 -0.21 0.00 0.00 178.00 178.01 1ggw n TYR 8 N -2.64 0.00 0.17 0.65 4.01 -1.18 -4.44 117.16 113.73 1ggw n TYR 8 Ca 0.04 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.70 1ggw n TYR 8 Cb 0.44 -0.23 -0.04 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 -0.45 -0.49 -0.23 -0.72 3.64 -0.43 -1.74 116.57 116.14 1ggw h LYS 9 Ca 0.00 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1ggw h LYS 9 Cb 0.45 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1ggw h LYS 9 CO 0.00 -0.33 0.12 0.37 -2.27 0.00 0.00 179.45 177.34 1ggw h GLN 10 N -1.12 0.24 -0.85 1.90 4.15 -0.55 -2.23 115.11 116.66 1ggw h GLN 10 Ca -0.05 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.39 1ggw h GLN 10 Cb 0.39 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.98 1ggw h GLN 10 CO 0.09 0.16 0.56 0.00 -1.93 0.00 0.00 178.83 177.70 1ggw h ALA 11 N 1.12 1.49 -0.50 3.38 0.00 -1.02 -2.00 119.26 121.72 1ggw h ALA 11 Ca 0.10 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1ggw h ALA 11 Cb 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1ggw h ALA 11 CO -0.06 0.42 0.27 0.35 0.00 0.00 0.00 179.25 180.23 1ggw h PHE 12 N 1.04 0.50 -0.30 0.00 3.04 -0.72 -1.69 116.94 118.81 1ggw h PHE 12 Ca 0.34 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.28 1ggw h PHE 12 Cb 0.06 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.40 1ggw h PHE 12 CO -0.00 0.26 0.06 0.77 -2.02 0.00 0.00 178.31 177.38 1ggw h SER 13 N 0.53 0.40 -0.60 0.41 0.02 -0.96 -2.47 113.55 110.87 1ggw h SER 13 Ca 0.22 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1ggw h SER 13 Cb 0.09 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 1ggw h SER 13 CO -0.13 0.42 0.35 -0.07 -1.14 0.00 0.00 176.83 176.26 1ggw h LEU 14 N 0.43 0.75 -2.94 5.07 3.38 -0.83 -2.07 115.31 119.10 1ggw h LEU 14 Ca 0.10 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 1ggw h LEU 14 Cb 0.20 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.67 1ggw h LEU 14 CO -0.00 0.60 0.19 0.49 0.09 0.00 0.00 178.44 179.81 1ggw n PHE 15 N -4.39 1.64 -3.13 1.13 3.72 -0.93 -4.81 117.46 110.68 1ggw n PHE 15 Ca 0.06 -0.87 -0.45 0.00 -0.05 0.00 0.00 57.45 56.13 1ggw n PHE 15 Cb 0.09 -0.52 -0.03 0.00 -0.94 0.00 0.00 39.48 38.08 1ggw n PHE 15 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1ggw s ASP 16 N -0.49 6.45 0.32 4.37 -1.08 -0.78 -4.86 116.67 120.60 1ggw s ASP 16 Ca 0.36 -1.94 0.06 0.00 -0.52 0.00 0.00 52.55 50.51 1ggw s ASP 16 Cb 0.29 -2.30 0.55 0.00 -1.46 0.00 0.00 42.92 40.00 1ggw s ASP 16 CO 0.09 -0.95 1.78 -0.09 0.52 0.00 0.00 175.17 176.52 1ggw h ARG 17 N 8.71 0.33 0.02 4.34 1.12 -1.87 -3.07 114.38 123.95 1ggw h ARG 17 Ca -0.07 -0.11 -0.27 0.00 -1.11 0.00 0.00 59.98 58.41 1ggw h ARG 17 Cb 1.06 -0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 30.96 1ggw h ARG 17 CO 1.01 0.56 -1.47 0.45 -3.11 0.00 0.00 179.97 177.41 1ggw h HIS 18 N 0.30 0.07 -0.18 2.20 3.86 -1.90 -3.48 115.15 116.01 1ggw h HIS 18 Ca 0.05 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1ggw h HIS 18 Cb 0.60 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 1ggw h HIS 18 CO 0.01 1.07 -0.04 0.41 0.86 0.00 0.00 177.93 180.25 1ggw n GLY 19 N 1.51 0.37 0.53 2.45 0.00 -1.16 -4.95 105.19 103.95 1ggw n GLY 19 Ca -0.12 -0.89 0.08 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.64 2.13 -1.26 2.61 -2.24 -1.26 -4.95 114.28 105.67 1ggw n THR 20 Ca -0.02 -2.26 -0.09 0.00 -2.27 0.00 0.00 64.05 59.42 1ggw n THR 20 Cb 0.35 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.29 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 -1.04 1.08 3.19 3.38 0.00 -1.26 -5.02 105.19 105.52 1ggw n GLY 21 Ca 0.20 -0.60 -0.18 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.75 0.87 -0.01 1.61 0.52 -1.26 -3.03 118.95 114.90 1ggw s ARG 22 Ca 0.00 -1.04 -0.01 0.00 -0.52 0.00 0.00 55.73 54.16 1ggw s ARG 22 Cb 0.00 -0.84 -0.00 0.00 0.52 0.00 0.00 34.95 34.63 1ggw s ARG 22 CO 0.00 0.18 0.03 0.96 0.02 0.00 0.00 175.30 176.49 1ggw s ILE 23 N -1.54 0.03 0.69 1.52 -4.36 -0.99 -4.61 121.20 111.93 1ggw s ILE 23 Ca 0.01 -0.21 -0.05 0.00 -0.26 0.00 0.00 60.65 60.14 1ggw s ILE 23 Cb -0.08 -0.12 0.07 0.00 1.25 0.00 0.00 42.46 43.58 1ggw s ILE 23 CO 0.02 -0.12 0.99 -2.16 0.24 0.00 0.00 174.94 173.91 1ggw s PRO 24 N -0.34 2.14 0.36 0.37 0.04 -1.26 -1.96 135.00 134.35 1ggw s PRO 24 Ca -0.04 -0.42 0.18 0.00 0.04 0.00 0.00 61.00 60.76 1ggw s PRO 24 Cb -0.02 -2.22 1.16 0.00 0.04 0.00 0.00 34.50 33.46 1ggw s PRO 24 CO -0.00 -1.22 1.66 1.57 0.04 0.00 0.00 177.00 179.05 1ggw h LYS 25 N -0.53 0.26 -0.59 4.56 2.10 -1.90 0.18 116.57 120.64 1ggw h LYS 25 Ca -0.43 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1ggw h LYS 25 Cb 1.31 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 32.55 1ggw h LYS 25 CO 0.56 0.17 0.38 1.79 -2.00 0.00 0.00 179.45 180.35 1ggw h THR 26 N 0.27 1.16 -0.15 0.07 1.35 -1.95 -2.16 112.91 111.50 1ggw h THR 26 Ca 0.75 -0.33 -0.07 0.00 -0.55 0.00 0.00 66.41 66.20 1ggw h THR 26 Cb 1.85 0.32 -0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1ggw h THR 26 CO -0.57 0.16 -0.19 0.28 -0.25 0.00 0.00 175.52 174.95 1ggw h SER 27 N 0.81 0.43 -0.59 5.36 0.02 -1.02 -3.14 113.55 115.42 1ggw h SER 27 Ca 0.22 -0.51 0.10 0.00 -0.84 0.00 0.00 61.79 60.76 1ggw h SER 27 Cb -0.06 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.32 1ggw h SER 27 CO -0.04 0.85 0.40 0.40 -1.14 0.00 0.00 176.83 177.29 1ggw h ILE 28 N 0.02 0.90 0.09 3.27 1.08 -1.23 -0.11 117.51 121.53 1ggw h ILE 28 Ca 0.02 -0.14 -0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1ggw h ILE 28 Cb 0.74 0.46 -0.00 0.00 -3.07 0.00 0.00 36.82 34.95 1ggw h ILE 28 CO 0.05 0.07 -0.09 1.23 -0.69 0.00 0.00 178.15 178.72 1ggw h GLY 29 N 0.41 -0.82 2.00 5.37 0.00 -1.33 -0.33 103.07 108.37 1ggw h GLY 29 Ca 0.27 0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.92 1ggw h GLY 29 CO -0.07 -0.29 -0.19 1.29 0.00 0.00 0.00 176.54 177.28 1ggw h ASP 30 N -0.18 0.00 -0.18 0.19 3.04 -1.61 -2.77 116.42 114.91 1ggw h ASP 30 Ca -0.01 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 1ggw h ASP 30 Cb 0.16 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.44 1ggw h ASP 30 CO -0.01 0.19 0.12 0.25 -2.04 0.00 0.00 179.24 177.74 1ggw h LEU 31 N 0.00 0.22 -1.55 0.15 5.85 -0.80 -2.17 115.31 117.00 1ggw h LEU 31 Ca -0.00 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1ggw h LEU 31 Cb 0.37 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1ggw h LEU 31 CO 0.02 0.18 0.11 -0.07 -0.34 0.00 0.00 178.44 178.35 1ggw h LEU 32 N 0.23 0.36 -1.11 2.25 3.38 -0.78 -2.41 115.31 117.23 1ggw h LEU 32 Ca 0.07 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.10 1ggw h LEU 32 Cb 0.00 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 1ggw h LEU 32 CO -0.01 0.34 0.61 -0.09 0.09 0.00 0.00 178.44 179.37 1ggw h ARG 33 N 0.40 0.96 0.00 1.13 2.43 -0.31 -0.57 114.38 118.43 1ggw h ARG 33 Ca 0.10 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 1ggw h ARG 33 Cb 0.10 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1ggw h ARG 33 CO -0.01 0.64 -0.31 0.00 -1.51 0.00 0.00 179.97 178.78 1ggw h ALA 34 N 1.52 1.49 -1.20 2.80 0.00 -1.31 -3.08 119.26 119.48 1ggw h ALA 34 Ca 0.43 -0.28 -0.60 0.00 0.00 0.00 0.00 54.91 54.47 1ggw h ALA 34 Cb 0.35 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 17.69 1ggw h ALA 34 CO -0.19 0.38 -0.49 0.00 0.00 0.00 0.00 179.25 178.95 1ggw n GLY 36 N -0.58 0.44 3.30 0.00 0.00 -0.70 -4.77 105.19 102.88 1ggw n GLY 36 Ca 0.43 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1ggw n GLY 36 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ggw n GLN 37 N 0.00 0.55 -4.03 1.61 6.02 -1.17 -4.77 117.38 115.58 1ggw n GLN 37 Ca 0.00 -3.40 -0.33 0.00 -0.01 0.00 0.00 57.00 53.26 1ggw n GLN 37 Cb 0.00 2.00 -0.15 0.00 1.02 0.00 0.00 30.24 33.11 1ggw n GLN 37 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1ggw s ASN 38 N -3.45 4.28 0.23 1.08 3.84 -1.26 -0.82 114.94 118.83 1ggw s ASN 38 Ca 0.24 -1.16 0.00 0.00 0.21 0.00 0.00 52.86 52.14 1ggw s ASN 38 Cb 0.01 -1.58 0.00 0.00 -0.55 0.00 0.00 41.25 39.13 1ggw s ASN 38 CO 0.17 -0.16 0.00 -0.81 -2.79 0.00 0.00 177.10 173.51 1ggw n PRO 39 N 4.53 1.09 -3.87 0.43 -0.04 -1.26 -5.03 135.00 130.86 1ggw n PRO 39 Ca -0.15 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.09 1ggw n PRO 39 Cb 0.44 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.87 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 0.16 3.81 0.38 0.52 -4.23 -1.26 -4.98 115.64 110.05 1ggw s THR 40 Ca 0.00 -1.35 0.12 0.00 -1.18 0.00 0.00 61.69 59.28 1ggw s THR 40 Cb 0.00 -3.26 0.34 0.00 1.34 0.00 0.00 72.50 70.92 1ggw s THR 40 CO 0.00 -0.22 1.89 -0.07 -0.54 0.00 0.00 174.62 175.68 1ggw h LEU 41 N 1.28 0.54 -1.05 4.79 -0.00 -1.99 -0.03 115.31 118.86 1ggw h LEU 41 Ca -0.46 0.03 0.03 0.00 -0.00 0.00 0.00 57.88 57.48 1ggw h LEU 41 Cb 1.25 -0.07 -0.05 0.00 -0.00 0.00 0.00 40.66 41.78 1ggw h LEU 41 CO 0.59 0.28 0.64 0.00 -0.00 0.00 0.00 178.44 179.94 1ggw h ALA 42 N 1.62 1.35 0.44 1.53 0.00 -1.98 0.54 119.26 122.76 1ggw h ALA 42 Ca 0.42 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1ggw h ALA 42 Cb 0.78 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ggw h ALA 42 CO -0.17 0.57 -0.21 1.49 0.00 0.00 0.00 179.25 180.92 1ggw h GLU 43 N 1.25 -0.57 -0.44 0.00 4.57 -1.40 -0.58 114.58 117.41 1ggw h GLU 43 Ca 0.38 0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.64 1ggw h GLU 43 Cb -0.04 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 1ggw h GLU 43 CO -0.11 -0.28 0.20 -0.84 -1.18 0.00 0.00 179.01 176.81 1ggw h ILE 44 N -0.84 0.93 -0.88 2.32 -2.65 -1.31 -1.48 117.51 113.59 1ggw h ILE 44 Ca -0.06 -0.14 0.06 0.00 1.03 0.00 0.00 64.86 65.75 1ggw h ILE 44 Cb 0.56 0.49 -0.06 0.00 -2.05 0.00 0.00 36.82 35.76 1ggw h ILE 44 CO 0.10 0.07 0.55 0.74 0.03 0.00 0.00 178.15 179.65 1ggw h THR 45 N 0.40 1.07 -0.84 0.16 2.02 -0.90 -1.12 112.91 113.71 1ggw h THR 45 Ca 0.20 -0.35 0.03 0.00 0.77 0.00 0.00 66.41 67.06 1ggw h THR 45 Cb 0.13 -0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 66.46 1ggw h THR 45 CO -0.16 0.19 0.55 -0.33 0.37 0.00 0.00 175.52 176.14 1ggw h GLU 46 N 1.02 1.02 -0.28 6.66 3.07 -0.12 -1.81 114.58 124.14 1ggw h GLU 46 Ca 0.37 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.16 1ggw h GLU 46 Cb 0.13 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 1ggw h GLU 46 CO -0.16 0.68 0.12 0.82 -1.40 0.00 0.00 179.01 179.07 1ggw h ILE 47 N 1.06 1.17 -0.23 3.13 2.04 -0.33 -2.07 117.51 122.27 1ggw h ILE 47 Ca 0.33 -0.50 0.07 0.00 1.00 0.00 0.00 64.86 65.76 1ggw h ILE 47 Cb -0.00 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1ggw h ILE 47 CO -0.09 0.17 0.19 -0.33 0.00 0.00 0.00 178.15 178.09 1ggw h GLU 48 N 0.31 0.00 0.00 2.37 5.08 -0.68 -0.54 114.58 121.12 1ggw h GLU 48 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1ggw h GLU 48 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1ggw h GLU 48 CO -0.01 0.00 0.00 0.45 -1.00 0.00 0.00 179.01 178.45 1ggw n SER 49 N -4.23 0.43 -0.01 1.42 2.88 -0.78 -3.51 113.62 109.82 1ggw n SER 49 Ca 0.03 0.66 -0.02 0.00 -1.33 0.00 0.00 58.87 58.20 1ggw n SER 49 Cb 0.33 -0.73 -0.01 0.00 -0.75 0.00 0.00 64.21 63.05 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 -2.04 0.14 -3.38 2.46 -2.24 -0.31 -5.04 114.28 103.87 1ggw n THR 50 Ca 0.00 -0.04 -0.34 0.00 -2.27 0.00 0.00 64.05 61.40 1ggw n THR 50 Cb 0.10 -1.21 -0.06 0.00 -2.10 0.00 0.00 70.33 67.07 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 -5.79 4.28 0.15 3.22 1.43 -0.59 -5.01 118.68 116.37 1ggw s LEU 51 Ca -0.04 1.02 -0.24 0.00 -1.03 0.00 0.00 54.13 53.84 1ggw s LEU 51 Cb 0.01 -3.39 -0.14 0.00 0.03 0.00 0.00 46.19 42.70 1ggw s LEU 51 CO 0.05 0.05 0.47 -2.65 0.23 0.00 0.00 176.35 174.50 1ggw n PRO 52 N 0.51 0.00 -0.11 1.29 -0.02 -1.26 -4.46 135.00 130.94 1ggw n PRO 52 Ca -0.04 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.42 1ggw n PRO 52 Cb 0.52 -0.86 -0.03 0.00 -0.02 0.00 0.00 33.50 33.11 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 0.12 -0.17 -2.65 3.55 0.00 -1.26 -3.81 120.51 116.29 1ggw n ALA 53 Ca 0.15 0.23 -0.42 0.00 0.00 0.00 0.00 53.44 53.40 1ggw n ALA 53 Cb 0.19 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.63 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 -4.50 4.23 -1.04 0.00 2.02 -1.26 -4.90 118.70 113.26 1ggw s GLU 54 Ca -0.03 1.12 -0.19 0.00 0.02 0.00 0.00 54.97 55.89 1ggw s GLU 54 Cb 0.03 -3.63 0.11 0.00 0.10 0.00 0.00 34.13 30.74 1ggw s GLU 54 CO 0.17 -0.53 1.33 0.08 0.02 0.00 0.00 175.26 176.33 1ggw s VAL 55 N 2.86 4.51 0.87 2.63 1.01 -0.83 -4.82 120.40 126.63 1ggw s VAL 55 Ca 0.39 -1.59 -0.10 0.00 0.00 0.00 0.00 61.98 60.68 1ggw s VAL 55 Cb -0.15 -4.92 0.18 0.00 0.00 0.00 0.00 36.38 31.48 1ggw s VAL 55 CO 0.08 -1.69 1.20 1.51 0.00 0.00 0.00 175.10 176.19 1ggw s ASP 56 N 3.90 3.57 0.32 3.32 1.47 -1.26 -2.35 116.67 125.64 1ggw s ASP 56 Ca 0.40 -0.02 0.07 0.00 1.18 0.00 0.00 52.55 54.18 1ggw s ASP 56 Cb -0.02 -0.13 0.90 0.00 -0.34 0.00 0.00 42.92 43.32 1ggw s ASP 56 CO -0.06 -2.41 1.59 0.24 0.68 0.00 0.00 175.17 175.20 1ggw h MET 57 N -1.21 0.04 0.24 2.11 2.86 -1.93 0.81 114.93 117.85 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 1.24 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.90 1ggw h MET 57 CO 0.38 0.03 -0.11 1.49 1.06 0.00 0.00 176.91 179.75 1ggw h GLU 58 N 0.04 -0.31 0.06 1.72 4.81 -1.92 -1.28 114.58 117.70 1ggw h GLU 58 Ca 0.66 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.92 1ggw h GLU 58 Cb 1.47 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.90 1ggw h GLU 58 CO -0.84 0.02 -0.16 1.96 -0.73 0.00 0.00 179.01 179.26 1ggw h GLN 59 N -0.67 -0.28 -0.15 1.92 7.50 -1.44 0.13 115.11 122.12 1ggw h GLN 59 Ca -0.03 0.02 -0.00 0.00 0.50 0.00 0.00 58.65 59.14 1ggw h GLN 59 Cb 0.47 0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.06 1ggw h GLN 59 CO 0.05 -0.19 0.09 0.35 -1.50 0.00 0.00 178.83 177.63 1ggw h PHE 60 N -0.30 0.20 -0.30 2.96 3.57 -1.01 -2.54 116.94 119.52 1ggw h PHE 60 Ca 0.03 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1ggw h PHE 60 Cb 0.33 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1ggw h PHE 60 CO -0.19 0.18 0.13 -0.07 -2.23 0.00 0.00 178.31 176.13 1ggw h LEU 61 N 0.16 0.37 0.19 0.59 3.38 -1.08 -1.29 115.31 117.63 1ggw h LEU 61 Ca 0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1ggw h LEU 61 Cb 0.04 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1ggw h LEU 61 CO -0.01 0.34 -0.10 -0.61 0.09 0.00 0.00 178.44 178.15 1ggw h GLN 62 N 0.42 -0.26 -0.49 1.13 5.75 -0.32 0.31 115.11 121.66 1ggw h GLN 62 Ca 0.11 0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.50 1ggw h GLN 62 Cb 0.08 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 1ggw h GLN 62 CO -0.01 -0.17 -0.17 -0.39 -2.65 0.00 0.00 178.83 175.44 1ggw h VAL 63 N -0.27 1.27 0.27 2.39 -1.51 -1.27 -3.23 116.25 113.91 1ggw h VAL 63 Ca -0.03 -1.32 -0.01 0.00 -1.23 0.00 0.00 66.70 64.12 1ggw h VAL 63 Cb 0.21 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.44 1ggw h VAL 63 CO 0.04 0.46 -0.13 0.25 -1.23 0.00 0.00 177.57 176.95 1ggw h LEU 64 N 0.84 -0.31 -5.34 4.19 5.85 -1.07 -3.22 115.31 116.25 1ggw h LEU 64 Ca 0.12 -0.09 -0.70 0.00 0.84 0.00 0.00 57.88 58.05 1ggw h LEU 64 Cb 0.72 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1ggw h LEU 64 CO 0.06 -0.10 3.28 0.59 -0.34 0.00 0.00 178.44 181.92 1ggw n ASN 65 N -5.19 8.03 -0.04 1.25 3.02 0.11 -4.72 115.26 117.72 1ggw n ASN 65 Ca -0.10 -2.80 -0.08 0.00 -0.03 0.00 0.00 54.58 51.57 1ggw n ASN 65 Cb 0.21 -1.50 -0.02 0.00 -0.61 0.00 0.00 39.78 37.86 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 4.98 0.06 -0.88 3.52 2.43 -1.65 -2.20 114.38 120.64 1ggw h ARG 66 Ca 0.78 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.95 1ggw h ARG 66 Cb 0.33 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1ggw h ARG 66 CO 1.69 0.04 0.00 -0.35 -1.51 0.00 0.00 179.97 179.84 1ggw n PRO 67 N -5.14 1.73 -2.54 0.20 -0.04 -1.26 -4.95 135.00 123.00 1ggw n PRO 67 Ca -0.02 -0.60 -0.05 0.00 -0.04 0.00 0.00 63.50 62.78 1ggw n PRO 67 Cb 0.11 -1.62 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 1ggw n PRO 67 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ggw n ASN 68 N 0.11 -0.48 0.00 3.54 4.13 -0.83 -4.98 115.26 116.75 1ggw n ASN 68 Ca 0.05 1.28 0.00 0.00 1.68 0.00 0.00 54.58 57.59 1ggw n ASN 68 Cb 0.42 -5.06 0.00 0.00 -1.54 0.00 0.00 39.78 33.59 1ggw n ASN 68 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ggw n GLY 69 N 1.60 -3.07 4.01 7.41 0.00 -1.26 -5.06 105.19 108.82 1ggw n GLY 69 Ca -0.40 -2.16 -0.19 0.00 0.00 0.00 0.00 46.02 43.26 1ggw n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ggw s PHE 70 N -0.91 1.92 -1.00 1.61 0.08 -1.26 -4.62 117.98 113.79 1ggw s PHE 70 Ca 0.00 -0.62 -0.09 0.00 0.12 0.00 0.00 56.93 56.35 1ggw s PHE 70 Cb 0.00 -2.25 -0.04 0.00 -0.57 0.00 0.00 43.02 40.17 1ggw s PHE 70 CO 0.00 -0.84 0.83 -3.47 -0.10 0.00 0.00 175.22 171.64 1ggw n ASP 71 N -2.07 -6.44 0.00 1.36 2.03 -1.26 -4.79 116.55 105.39 1ggw n ASP 71 Ca 0.12 -0.68 0.00 0.00 0.52 0.00 0.00 54.79 54.75 1ggw n ASP 71 Cb 0.61 -4.56 0.00 0.00 -0.72 0.00 0.00 41.12 36.44 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 -3.19 0.00 -0.34 -0.67 1.56 -1.26 -5.00 117.12 108.23 1ggw n MET 72 Ca -0.07 0.00 0.22 0.00 -0.27 0.00 0.00 57.70 57.57 1ggw n MET 72 Cb 0.59 0.00 0.45 0.00 2.15 0.00 0.00 33.22 36.41 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 0.37 0.00 2.12 0.11 -1.87 -3.45 132.00 129.29 1ggw h PRO 73 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1ggw h PRO 73 Cb 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1ggw h PRO 73 CO 0.00 0.25 0.00 0.41 -0.21 0.00 0.00 178.00 178.45 1ggw n GLY 74 N -1.30 0.72 3.79 -0.55 0.00 -1.26 -5.02 105.19 101.58 1ggw n GLY 74 Ca 0.30 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.20 7.24 0.27 1.61 1.11 -1.26 -4.98 116.67 120.46 1ggw s ASP 75 Ca 0.00 1.74 -0.04 0.00 0.18 0.00 0.00 52.55 54.44 1ggw s ASP 75 Cb 0.00 -2.55 0.36 0.00 1.07 0.00 0.00 42.92 41.81 1ggw s ASP 75 CO 0.00 -0.09 1.93 -0.65 1.18 0.00 0.00 175.17 177.54 1ggw h PRO 76 N 3.05 1.20 0.00 8.23 0.11 -1.99 -1.92 132.00 140.67 1ggw h PRO 76 Ca -0.47 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.48 1ggw h PRO 76 Cb 1.19 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 1ggw h PRO 76 CO 0.65 0.79 -0.42 0.93 -0.21 0.00 0.00 178.00 179.74 1ggw h GLU 77 N 1.24 0.00 -0.05 1.05 4.39 -1.97 -2.65 114.58 116.58 1ggw h GLU 77 Ca 0.37 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.06 1ggw h GLU 77 Cb -0.04 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1ggw h GLU 77 CO -0.11 0.42 -0.01 0.93 -1.16 0.00 0.00 179.01 179.09 1ggw h GLU 78 N 0.00 0.10 -0.38 2.33 3.07 -1.75 -1.57 114.58 116.38 1ggw h GLU 78 Ca -0.00 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 58.70 1ggw h GLU 78 Cb 0.97 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.86 1ggw h GLU 78 CO 0.05 0.41 -0.25 0.27 -1.40 0.00 0.00 179.01 178.09 1ggw h PHE 79 N -0.22 0.90 -0.46 4.33 -5.15 -1.53 -2.59 116.94 112.23 1ggw h PHE 79 Ca 0.01 -0.22 -0.04 0.00 -0.20 0.00 0.00 57.97 57.53 1ggw h PHE 79 Cb 0.37 -0.21 -0.02 0.00 0.22 0.00 0.00 35.95 36.31 1ggw h PHE 79 CO 0.04 0.95 0.14 0.28 -2.00 0.00 0.00 178.31 177.72 1ggw h VAL 80 N 0.68 1.22 -0.69 0.88 2.07 -1.45 -2.39 116.25 116.57 1ggw h VAL 80 Ca 0.09 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 66.78 1ggw h VAL 80 Cb 0.77 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1ggw h VAL 80 CO 0.06 0.27 0.14 0.50 0.02 0.00 0.00 177.57 178.56 1ggw h LYS 81 N 0.60 1.12 -0.22 1.57 1.63 -1.24 -0.76 116.57 119.28 1ggw h LYS 81 Ca 0.15 -0.29 -0.01 0.00 -0.85 0.00 0.00 60.65 59.64 1ggw h LYS 81 Cb 0.27 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 1ggw h LYS 81 CO -0.00 1.01 0.08 0.78 -3.45 0.00 0.00 179.45 177.86 1ggw h GLY 82 N 1.05 0.36 1.99 5.01 0.00 -1.35 -2.71 103.07 107.41 1ggw h GLY 82 Ca 0.21 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.23 1ggw h GLY 82 CO 0.01 0.19 -0.54 0.74 0.00 0.00 0.00 176.54 176.94 1ggw h PHE 83 N 0.19 0.02 0.00 5.60 -1.00 -1.39 -2.94 116.94 117.42 1ggw h PHE 83 Ca 0.07 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.85 1ggw h PHE 83 Cb 0.20 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.76 1ggw h PHE 83 CO -0.00 0.55 0.00 1.04 -1.61 0.00 0.00 178.31 178.28 1ggw n GLN 84 N -3.90 0.22 -0.10 1.51 6.02 -0.30 -3.69 117.38 117.14 1ggw n GLN 84 Ca -0.01 0.39 -0.10 0.00 -0.01 0.00 0.00 57.00 57.27 1ggw n GLN 84 Cb 0.55 -1.88 -0.04 0.00 1.02 0.00 0.00 30.24 29.89 1ggw n GLN 84 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1ggw h VAL 85 N 0.00 0.14 -0.82 5.09 2.07 -1.29 -2.53 116.25 118.91 1ggw h VAL 85 Ca 0.00 0.00 -0.59 0.00 0.82 0.00 0.00 66.70 66.93 1ggw h VAL 85 Cb 0.45 0.14 -0.38 0.00 -1.52 0.00 0.00 31.29 29.99 1ggw h VAL 85 CO 0.00 0.00 -0.26 0.33 0.02 0.00 0.00 177.57 177.66 1ggw n PHE 86 N -5.42 2.88 -3.16 1.57 -0.00 -1.25 -4.73 117.46 107.35 1ggw n PHE 86 Ca -0.01 -2.47 -0.19 0.00 -0.00 0.00 0.00 57.45 54.78 1ggw n PHE 86 Cb 0.35 -0.70 -0.03 0.00 -0.00 0.00 0.00 39.48 39.10 1ggw n PHE 86 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1ggw n ASP 87 N -0.78 0.44 0.04 -2.13 9.92 -0.95 -4.95 116.55 118.14 1ggw n ASP 87 Ca 0.50 -2.99 -0.13 0.00 -0.53 0.00 0.00 54.79 51.64 1ggw n ASP 87 Cb 0.87 -0.43 -0.08 0.00 -0.64 0.00 0.00 41.12 40.84 1ggw n ASP 87 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1ggw h LYS 88 N 3.22 -0.06 0.00 -1.24 1.63 -1.85 -3.43 116.57 114.85 1ggw h LYS 88 Ca 0.08 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1ggw h LYS 88 Cb 0.96 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 1ggw h LYS 88 CO 0.47 0.14 -0.52 -3.47 -3.45 0.00 0.00 179.45 172.62 1ggw n ASP 89 N -5.03 0.52 -2.90 4.20 -0.08 -1.26 -5.11 116.55 106.89 1ggw n ASP 89 Ca -0.08 0.07 -0.10 0.00 -1.51 0.00 0.00 54.79 53.17 1ggw n ASP 89 Cb 0.13 -0.16 0.01 0.00 2.34 0.00 0.00 41.12 43.45 1ggw n ASP 89 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ggw n ALA 90 N -3.23 -2.99 -2.85 -1.67 0.00 -1.26 -4.93 120.51 103.58 1ggw n ALA 90 Ca 0.00 1.02 -0.39 0.00 0.00 0.00 0.00 53.44 54.07 1ggw n ALA 90 Cb 0.26 -3.33 0.00 0.00 0.00 0.00 0.00 19.45 16.38 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 -0.16 5.32 0.00 0.00 -1.04 -1.26 -4.54 114.28 112.60 1ggw n THR 91 Ca 0.09 -5.89 0.00 0.00 -2.04 0.00 0.00 64.05 56.21 1ggw n THR 91 Cb 0.43 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 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 0.47 1.21 3.65 3.41 0.00 -1.26 -5.09 105.19 107.57 1ggw n GLY 92 Ca 0.37 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.15 0.21 -0.17 1.61 0.23 -1.26 -4.12 119.30 115.66 1ggw s MET 93 Ca 0.00 0.28 0.01 0.00 -1.03 0.00 0.00 55.69 54.96 1ggw s MET 93 Cb 0.00 0.09 -0.11 0.00 -1.53 0.00 0.00 34.83 33.28 1ggw s MET 93 CO 0.00 -0.03 -0.15 1.51 -2.03 0.00 0.00 175.02 174.32 1ggw n ILE 94 N 2.23 0.96 -1.81 3.16 0.00 -1.26 -4.57 119.36 118.07 1ggw n ILE 94 Ca -0.13 -0.37 -0.02 0.00 0.00 0.00 0.00 62.75 62.24 1ggw n ILE 94 Cb 0.57 -1.09 0.00 0.00 0.00 0.00 0.00 39.64 39.12 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 2.70 -0.81 0.44 4.50 0.00 -1.14 -4.79 105.19 106.08 1ggw n GLY 95 Ca -0.30 0.19 0.30 0.00 0.00 0.00 0.00 46.02 46.21 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 0.43 0.30 -0.91 1.61 2.07 -0.78 -0.80 116.25 118.18 1ggw h VAL 96 Ca 0.00 -0.08 0.24 0.00 0.82 0.00 0.00 66.70 67.68 1ggw h VAL 96 Cb 0.29 0.06 -0.13 0.00 -1.52 0.00 0.00 31.29 29.99 1ggw h VAL 96 CO 0.05 0.04 0.38 1.23 0.02 0.00 0.00 177.57 179.29 1ggw h GLY 97 N 0.22 1.57 0.87 2.17 0.00 -1.89 0.26 103.07 106.27 1ggw h GLY 97 Ca 0.72 -0.15 -0.19 0.00 0.00 0.00 0.00 47.33 47.71 1ggw h GLY 97 CO -0.37 -0.32 -0.78 -2.09 0.00 0.00 0.00 176.54 172.99 1ggw h GLU 98 N 0.35 0.45 -0.92 4.80 4.57 -1.45 -2.41 114.58 119.96 1ggw h GLU 98 Ca 0.58 -0.54 0.03 0.00 -1.18 0.00 0.00 59.36 58.25 1ggw h GLU 98 Cb 1.15 0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 29.86 1ggw h GLU 98 CO -0.57 1.19 0.61 1.37 -1.18 0.00 0.00 179.01 180.43 1ggw h LEU 99 N -0.05 1.01 -0.22 1.64 8.10 -1.18 -2.23 115.31 122.37 1ggw h LEU 99 Ca -0.11 -0.01 -0.22 0.00 0.11 0.00 0.00 57.88 57.65 1ggw h LEU 99 Cb 1.50 -0.24 0.00 0.00 -0.44 0.00 0.00 40.66 41.49 1ggw h LEU 99 CO 0.15 0.70 -0.85 0.08 -4.11 0.00 0.00 178.44 174.41 1ggw h ARG 100 N 1.18 0.54 -0.75 0.17 0.11 -0.62 -2.05 114.38 112.96 1ggw h ARG 100 Ca 0.36 -0.50 0.06 0.00 0.10 0.00 0.00 59.98 60.00 1ggw h ARG 100 Cb -0.02 0.12 -0.05 0.00 1.11 0.00 0.00 29.97 31.13 1ggw h ARG 100 CO -0.10 1.13 0.49 -0.92 0.10 0.00 0.00 179.97 180.67 1ggw h TYR 101 N 0.34 0.81 0.00 4.08 3.20 -0.88 0.22 116.97 124.73 1ggw h TYR 101 Ca -0.06 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 1ggw h TYR 101 Cb 1.47 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 1ggw h TYR 101 CO 0.07 0.43 -0.31 0.28 -1.64 0.00 0.00 178.16 176.99 1ggw h VAL 102 N 0.81 1.15 0.01 1.81 2.07 -1.43 -3.19 116.25 117.47 1ggw h VAL 102 Ca 0.32 -1.97 -0.00 0.00 0.82 0.00 0.00 66.70 65.87 1ggw h VAL 102 Cb 0.22 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1ggw h VAL 102 CO -0.11 0.39 -0.00 -0.07 0.02 0.00 0.00 177.57 177.80 1ggw h LEU 103 N -1.00 -0.01 -1.13 2.57 3.38 -1.30 -1.47 115.31 116.34 1ggw h LEU 103 Ca -0.08 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1ggw h LEU 103 Cb 0.85 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 1ggw h LEU 103 CO -0.05 0.12 0.48 0.74 0.09 0.00 0.00 178.44 179.82 1ggw h THR 104 N -0.14 1.22 0.00 0.22 2.02 -0.77 -1.51 112.91 113.95 1ggw h THR 104 Ca -0.00 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1ggw h THR 104 Cb 0.13 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1ggw h THR 104 CO 0.00 0.23 0.00 -1.28 0.37 0.00 0.00 175.52 174.84 1ggw h SER 105 N 1.09 0.00 0.34 4.18 0.87 -1.51 -0.43 113.55 118.09 1ggw h SER 105 Ca 0.29 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 1ggw h SER 105 Cb -0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1ggw h SER 105 CO -0.05 0.00 -0.16 -0.07 -0.53 0.00 0.00 176.83 176.01 1ggw h LEU 106 N 0.00 -0.38 -4.78 2.23 3.38 -0.18 -3.44 115.31 112.14 1ggw h LEU 106 Ca 0.00 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.64 1ggw h LEU 106 Cb 0.63 0.10 -0.12 0.00 0.09 0.00 0.00 40.66 41.36 1ggw h LEU 106 CO 0.00 0.04 -0.19 0.61 0.09 0.00 0.00 178.44 178.99 1ggw n GLY 107 N -0.06 0.94 3.55 0.83 0.00 -1.18 -5.00 105.19 104.27 1ggw n GLY 107 Ca -0.09 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.82 -6.30 0.00 1.61 4.71 -0.17 -5.01 120.64 114.66 1ggw n GLU 108 Ca -0.12 0.77 0.00 0.00 -0.01 0.00 0.00 57.16 57.80 1ggw n GLU 108 Cb 0.79 -5.67 0.00 0.00 -1.01 0.00 0.00 31.44 25.55 1ggw n GLU 108 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1ggw n LYS 109 N -4.32 2.84 -1.97 3.49 0.00 -1.20 -4.62 118.16 112.37 1ggw n LYS 109 Ca -0.23 0.00 -0.26 0.00 0.00 0.00 0.00 58.31 57.82 1ggw n LYS 109 Cb 0.65 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.61 1ggw n LYS 109 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ggw n LEU 110 N 0.00 2.81 0.00 3.14 4.77 -1.26 -4.81 117.00 121.64 1ggw n LEU 110 Ca 0.00 -3.07 -0.18 0.00 -0.03 0.00 0.00 56.01 52.73 1ggw n LEU 110 Cb 0.00 -1.73 0.16 0.00 -2.33 0.00 0.00 43.42 39.52 1ggw n LEU 110 CO 0.00 -2.11 0.27 -1.54 -1.33 0.00 0.00 177.39 172.68 1ggw n SER 111 N 15.23 -2.63 -0.34 -1.43 3.41 -1.26 -4.41 113.62 122.18 1ggw n SER 111 Ca 0.44 -0.67 0.28 0.00 -0.26 0.00 0.00 58.87 58.66 1ggw n SER 111 Cb 0.47 -0.59 0.60 0.00 -0.26 0.00 0.00 64.21 64.42 1ggw n SER 111 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1ggw h ASN 112 N -2.59 0.29 0.94 4.04 -1.24 -1.95 -1.77 115.58 113.29 1ggw h ASN 112 Ca -0.24 0.07 -0.04 0.00 0.71 0.00 0.00 56.30 56.79 1ggw h ASN 112 Cb 0.77 0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.85 1ggw h ASN 112 CO 0.15 0.02 -0.49 -0.08 -1.29 0.00 0.00 177.43 175.74 1ggw h GLU 113 N 0.24 -1.27 -0.84 6.67 4.81 -1.97 0.59 114.58 122.81 1ggw h GLU 113 Ca 0.62 0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.93 1ggw h GLU 113 Cb 1.89 0.29 -0.04 0.00 0.63 0.00 0.00 28.75 31.51 1ggw h GLU 113 CO -0.23 -0.84 0.50 0.93 -0.73 0.00 0.00 179.01 178.64 1ggw h GLU 114 N -1.31 1.15 -0.28 1.92 3.07 -1.69 -2.12 114.58 115.31 1ggw h GLU 114 Ca -0.13 -0.11 -0.09 0.00 -0.50 0.00 0.00 59.36 58.53 1ggw h GLU 114 Cb 1.02 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.68 1ggw h GLU 114 CO 0.18 0.81 -0.21 0.52 -1.40 0.00 0.00 179.01 178.92 1ggw h MET 115 N 1.16 0.51 -0.45 2.33 2.86 -1.28 -2.47 114.93 117.60 1ggw h MET 115 Ca 0.30 -0.18 0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1ggw h MET 115 Cb -0.04 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 1ggw h MET 115 CO -0.06 0.69 0.25 -0.44 1.06 0.00 0.00 176.91 178.41 1ggw h ASP 116 N 0.46 0.38 -0.51 1.22 5.19 0.87 0.12 116.42 124.15 1ggw h ASP 116 Ca 0.07 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.43 1ggw h ASP 116 Cb 0.62 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.04 1ggw h ASP 116 CO 0.04 0.27 0.07 -0.33 -3.12 0.00 0.00 179.24 176.17 1ggw h GLU 117 N 0.49 0.91 -0.42 3.56 5.08 -1.30 -1.64 114.58 121.26 1ggw h GLU 117 Ca 0.19 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1ggw h GLU 117 Cb 0.05 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1ggw h GLU 117 CO -0.11 0.86 0.11 1.37 -1.00 0.00 0.00 179.01 180.24 1ggw h LEU 118 N 0.85 0.64 -1.10 1.33 8.10 -0.90 -2.52 115.31 121.72 1ggw h LEU 118 Ca 0.17 -0.23 -0.07 0.00 0.11 0.00 0.00 57.88 57.87 1ggw h LEU 118 Cb 0.41 -0.17 -0.02 0.00 -0.44 0.00 0.00 40.66 40.44 1ggw h LEU 118 CO 0.01 0.70 -0.07 -0.07 -4.11 0.00 0.00 178.44 174.91 1ggw h LEU 119 N 0.55 0.54 -0.78 0.17 3.38 -0.58 -2.06 115.31 116.52 1ggw h LEU 119 Ca 0.13 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1ggw h LEU 119 Cb 0.31 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1ggw h LEU 119 CO 0.00 0.65 0.23 0.11 0.09 0.00 0.00 178.44 179.52 1ggw h LYS 120 N 0.52 1.15 -0.01 1.13 1.79 -1.06 -3.19 116.57 116.90 1ggw h LYS 120 Ca 0.10 -0.24 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 1ggw h LYS 120 Cb 0.44 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1ggw h LYS 120 CO 0.02 0.97 -0.03 0.78 -1.08 0.00 0.00 179.45 180.12 1ggw h GLY 121 N 1.12 0.05 -4.57 3.86 0.00 -1.16 -3.43 103.07 98.93 1ggw h GLY 121 Ca 0.24 -0.05 -0.55 0.00 0.00 0.00 0.00 47.33 46.96 1ggw h GLY 121 CO -0.01 0.05 0.48 0.14 0.00 0.00 0.00 176.54 177.20 1ggw s VAL 122 N -3.98 4.81 -1.11 4.60 1.01 -0.80 -4.94 120.40 119.98 1ggw s VAL 122 Ca -0.16 2.04 -0.11 0.00 0.00 0.00 0.00 61.98 63.75 1ggw s VAL 122 Cb 0.01 -4.31 -0.07 0.00 0.00 0.00 0.00 36.38 32.02 1ggw s VAL 122 CO 0.69 0.08 2.28 -2.65 0.00 0.00 0.00 175.10 175.49 1ggw n PRO 123 N 4.49 2.42 -4.45 2.72 -0.02 -1.26 -4.78 135.00 134.12 1ggw n PRO 123 Ca 0.08 -1.84 -0.23 0.00 -2.02 0.00 0.00 63.50 59.49 1ggw n PRO 123 Cb 0.50 -2.72 -0.09 0.00 -0.02 0.00 0.00 33.50 31.17 1ggw n PRO 123 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1ggw s VAL 124 N 3.42 0.61 -0.11 -1.45 -7.23 -1.26 -5.07 120.40 109.31 1ggw s VAL 124 Ca 0.51 -2.00 0.16 0.00 -1.81 0.00 0.00 61.98 58.84 1ggw s VAL 124 Cb 0.13 -2.46 0.25 0.00 0.56 0.00 0.00 36.38 34.86 1ggw s VAL 124 CO -0.02 0.00 1.12 0.29 -0.31 0.00 0.00 175.10 176.19 1ggw n LYS 125 N -0.79 1.33 -0.52 4.82 5.02 -1.26 -4.74 118.16 122.02 1ggw n LYS 125 Ca -0.03 -2.38 -0.02 0.00 -2.02 0.00 0.00 58.31 53.86 1ggw n LYS 125 Cb 0.65 -1.39 -0.02 0.00 -0.02 0.00 0.00 35.03 34.25 1ggw n LYS 125 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1ggw n ASP 126 N -1.26 -0.27 -3.63 4.39 5.75 -1.26 -5.02 116.55 115.25 1ggw n ASP 126 Ca 0.14 -0.70 -0.21 0.00 -0.01 0.00 0.00 54.79 54.01 1ggw n ASP 126 Cb 0.61 0.08 0.04 0.00 -1.03 0.00 0.00 41.12 40.82 1ggw n ASP 126 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ggw n GLY 127 N 0.00 -0.38 3.42 6.12 0.00 -1.26 -1.75 105.19 111.34 1ggw n GLY 127 Ca -0.07 0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -5.80 3.10 0.00 1.61 0.00 -1.26 -2.10 119.30 114.84 1ggw s MET 128 Ca 0.05 -0.89 0.01 0.00 0.00 0.00 0.00 55.69 54.85 1ggw s MET 128 Cb -0.01 -3.69 0.02 0.00 0.00 0.00 0.00 34.83 31.15 1ggw s MET 128 CO 0.80 -0.57 0.95 0.28 0.00 0.00 0.00 175.02 176.48 1ggw n VAL 129 N 5.01 0.00 -1.75 10.11 0.31 -1.26 -4.87 118.33 125.88 1ggw n VAL 129 Ca -0.13 -0.04 -0.21 0.00 -0.01 0.00 0.00 64.34 63.96 1ggw n VAL 129 Cb 0.48 0.46 -0.07 0.00 -0.91 0.00 0.00 33.84 33.79 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 0.02 -5.54 -4.12 4.52 4.05 -1.26 -2.57 115.26 110.36 1ggw n ASN 130 Ca 0.00 0.41 -0.34 0.00 0.45 0.00 0.00 54.58 55.11 1ggw n ASN 130 Cb 0.69 -4.84 -0.01 0.00 1.23 0.00 0.00 39.78 36.85 1ggw n ASN 130 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ggw n TYR 131 N -2.68 -1.85 -0.02 1.20 9.36 -1.26 -4.74 117.16 117.17 1ggw n TYR 131 Ca -0.21 0.82 -0.06 0.00 3.32 0.00 0.00 57.90 61.76 1ggw n TYR 131 Cb 0.68 -3.28 -0.02 0.00 -0.63 0.00 0.00 39.34 36.09 1ggw n TYR 131 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1ggw n HIS 132 N -4.45 0.00 -0.19 2.98 8.25 -1.06 -4.45 115.22 116.29 1ggw n HIS 132 Ca 0.01 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.55 1ggw n HIS 132 Cb 0.53 -0.23 0.36 0.00 1.12 0.00 0.00 29.99 31.77 1ggw n HIS 132 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 1ggw h ASP 133 N -0.29 0.66 0.55 0.41 3.58 -1.89 0.44 116.42 119.88 1ggw h ASP 133 Ca -0.11 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.32 1ggw h ASP 133 Cb 0.78 -0.13 0.01 0.00 1.72 0.00 0.00 39.33 41.71 1ggw h ASP 133 CO -0.07 0.42 -0.26 -0.26 -2.88 0.00 0.00 179.24 176.18 1ggw h PHE 134 N 0.74 -0.68 -0.26 0.28 0.04 -1.90 -2.41 116.94 112.75 1ggw h PHE 134 Ca 0.33 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 61.05 1ggw h PHE 134 Cb 0.32 0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 1ggw h PHE 134 CO -0.00 -0.39 0.03 0.28 -0.60 0.00 0.00 178.31 177.63 1ggw h VAL 135 N -1.14 1.14 0.64 -0.55 2.07 -1.74 -0.99 116.25 115.68 1ggw h VAL 135 Ca -0.08 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 1ggw h VAL 135 Cb 0.61 0.92 0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1ggw h VAL 135 CO 0.12 0.19 -0.31 -0.61 0.02 0.00 0.00 177.57 176.98 1ggw h GLN 136 N 0.37 -0.83 -0.07 1.57 4.15 -0.14 -0.97 115.11 119.19 1ggw h GLN 136 Ca 0.09 0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.49 1ggw h GLN 136 Cb 0.20 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 1ggw h GLN 136 CO 0.00 -0.53 -0.31 1.98 -1.93 0.00 0.00 178.83 178.04 1ggw h MET 137 N -0.94 0.13 -0.49 1.69 4.05 -1.34 -1.56 114.93 116.47 1ggw h MET 137 Ca -0.09 -0.05 -0.09 0.00 -0.28 0.00 0.00 59.70 59.19 1ggw h MET 137 Cb 0.69 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.46 1ggw h MET 137 CO 0.14 0.43 -0.05 0.82 0.23 0.00 0.00 176.91 178.48 1ggw h ILE 138 N 0.12 1.27 -0.01 1.77 2.04 -1.06 -2.96 117.51 118.67 1ggw h ILE 138 Ca 0.02 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.72 1ggw h ILE 138 Cb 0.61 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1ggw h ILE 138 CO 0.04 0.40 -0.16 0.18 0.00 0.00 0.00 178.15 178.61 1ggw n LEU 139 N -4.28 1.01 -4.11 1.44 4.32 -0.38 -4.62 117.00 110.38 1ggw n LEU 139 Ca 0.01 -0.26 -0.37 0.00 -0.02 0.00 0.00 56.01 55.36 1ggw n LEU 139 Cb 0.35 -0.10 -0.09 0.00 -1.62 0.00 0.00 43.42 41.96 1ggw n LEU 139 CO 0.43 0.18 0.07 0.00 -1.22 0.00 0.00 177.39 176.86 1ggw s ALA 140 N -2.37 3.62 0.00 -1.18 0.00 -0.60 -5.08 121.76 116.16 1ggw s ALA 140 Ca 0.29 -3.28 0.00 0.00 0.00 0.00 0.00 51.96 48.97 1ggw s ALA 140 Cb 0.20 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.59 1ggw s ALA 140 CO 0.46 -2.12 0.17 0.09 0.00 0.00 0.00 175.76 174.36