#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 1.62 0.00 2.46 5.66 -1.26 -4.88 114.28 117.89 1ggw n THR 3 Ca 0.00 -2.84 0.00 0.00 -3.05 0.00 0.00 64.05 58.16 1ggw n THR 3 Cb 0.00 0.06 0.00 0.00 -1.55 0.00 0.00 70.33 68.84 1ggw n THR 3 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1ggw n ASP 4 N -0.59 0.00 -3.01 1.09 2.03 -1.26 -5.10 116.55 109.71 1ggw n ASP 4 Ca 0.19 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.36 1ggw n ASP 4 Cb 0.87 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.28 1ggw n ASP 4 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ggw n ASP 5 N -2.07 -7.33 -0.04 1.67 9.92 -1.26 -4.13 116.55 113.30 1ggw n ASP 5 Ca 0.00 0.46 -0.11 0.00 -0.53 0.00 0.00 54.79 54.61 1ggw n ASP 5 Cb 0.00 -4.36 -0.05 0.00 -0.64 0.00 0.00 41.12 36.07 1ggw n ASP 5 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 1ggw h SER 6 N 2.19 0.23 1.36 -2.24 0.87 -1.97 0.14 113.55 114.14 1ggw h SER 6 Ca -0.14 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1ggw h SER 6 Cb 1.00 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1ggw h SER 6 CO 0.19 0.39 -0.03 -0.81 -0.53 0.00 0.00 176.83 176.04 1ggw n PRO 7 N -4.83 0.22 -0.02 2.24 -0.04 -1.26 -0.08 135.00 131.23 1ggw n PRO 7 Ca -0.05 0.17 -0.02 0.00 -0.04 0.00 0.00 63.50 63.56 1ggw n PRO 7 Cb 0.15 -1.75 -0.01 0.00 -0.04 0.00 0.00 33.50 31.86 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 -2.12 0.00 0.13 0.54 4.01 -1.19 -4.41 117.16 114.12 1ggw n TYR 8 Ca 0.06 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.72 1ggw n TYR 8 Cb 0.41 -0.14 -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 -0.28 -0.40 -0.17 -0.72 1.79 -1.10 -1.58 116.57 114.12 1ggw h LYS 9 Ca 0.00 0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.53 1ggw h LYS 9 Cb 0.28 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.99 1ggw h LYS 9 CO 0.00 -0.19 -0.03 0.37 -1.08 0.00 0.00 179.45 178.51 1ggw h GLN 10 N -1.07 0.01 -0.87 3.15 4.15 -0.87 -2.12 115.11 117.49 1ggw h GLN 10 Ca -0.04 -0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.41 1ggw h GLN 10 Cb 0.39 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.03 1ggw h GLN 10 CO 0.07 0.01 0.56 0.00 -1.93 0.00 0.00 178.83 177.54 1ggw h ALA 11 N 1.16 1.16 -0.65 3.38 0.00 -0.63 -2.17 119.26 121.51 1ggw h ALA 11 Ca 0.08 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1ggw h ALA 11 Cb 0.12 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 17.54 1ggw h ALA 11 CO -0.16 0.40 0.26 0.35 0.00 0.00 0.00 179.25 180.09 1ggw h PHE 12 N 1.09 0.45 -0.57 0.00 3.04 -0.63 -0.65 116.94 119.65 1ggw h PHE 12 Ca 0.35 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.30 1ggw h PHE 12 Cb 0.02 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.40 1ggw h PHE 12 CO -0.02 0.11 0.24 1.03 -2.02 0.00 0.00 178.31 177.65 1ggw h SER 13 N 0.44 0.75 0.18 0.41 0.87 -0.91 -2.06 113.55 113.24 1ggw h SER 13 Ca 0.33 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1ggw h SER 13 Cb 0.42 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1ggw h SER 13 CO -0.32 0.67 -0.11 -0.07 -0.53 0.00 0.00 176.83 176.48 1ggw h LEU 14 N 0.82 0.00 -2.74 2.23 3.38 -0.77 -1.99 115.31 116.24 1ggw h LEU 14 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1ggw h LEU 14 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ggw h LEU 14 CO -0.02 0.11 0.00 0.49 0.09 0.00 0.00 178.44 179.11 1ggw n PHE 15 N -4.04 1.42 -3.08 1.13 3.01 -0.78 -4.82 117.46 110.30 1ggw n PHE 15 Ca -0.02 -0.50 -0.45 0.00 1.01 0.00 0.00 57.45 57.49 1ggw n PHE 15 Cb 0.19 -0.36 -0.04 0.00 -0.01 0.00 0.00 39.48 39.26 1ggw n PHE 15 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1ggw s ASP 16 N -0.60 6.22 0.36 4.37 2.15 -0.75 -4.77 116.67 123.64 1ggw s ASP 16 Ca 0.39 -1.45 0.04 0.00 0.43 0.00 0.00 52.55 51.96 1ggw s ASP 16 Cb 0.29 -2.32 0.67 0.00 -0.30 0.00 0.00 42.92 41.26 1ggw s ASP 16 CO 0.13 -1.14 1.98 0.03 -0.17 0.00 0.00 175.17 176.00 1ggw h ARG 17 N 9.18 0.69 0.00 4.34 2.47 -1.87 -2.67 114.38 126.51 1ggw h ARG 17 Ca -0.26 -0.07 -0.24 0.00 -1.26 0.00 0.00 59.98 58.15 1ggw h ARG 17 Cb 1.08 -0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 29.22 1ggw h ARG 17 CO 1.10 0.51 -1.36 0.45 0.56 0.00 0.00 179.97 181.23 1ggw h HIS 18 N 0.70 0.00 -2.80 3.04 3.86 -1.91 -3.49 115.15 114.55 1ggw h HIS 18 Ca 0.18 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.26 1ggw h HIS 18 Cb 0.03 0.00 0.05 0.00 1.06 0.00 0.00 27.41 28.55 1ggw h HIS 18 CO 0.00 0.91 -0.24 0.41 0.86 0.00 0.00 177.93 179.88 1ggw n GLY 19 N 1.45 0.37 0.01 2.45 0.00 -1.01 -4.97 105.19 103.49 1ggw n GLY 19 Ca -0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.98 0.15 0.00 2.61 -2.24 -1.26 -5.05 114.28 105.52 1ggw n THR 20 Ca -0.03 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1ggw n THR 20 Cb 0.53 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 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 3.18 0.52 3.42 3.38 0.00 -1.26 -5.15 105.19 109.29 1ggw n GLY 21 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 1.74 -0.00 1.61 3.00 -1.26 -3.77 118.95 120.26 1ggw s ARG 22 Ca 0.00 -1.17 0.05 0.00 0.00 0.00 0.00 55.73 54.61 1ggw s ARG 22 Cb 0.00 -2.04 -0.01 0.00 0.00 0.00 0.00 34.95 32.90 1ggw s ARG 22 CO 0.00 0.49 -0.16 0.96 0.00 0.00 0.00 175.30 176.59 1ggw s ILE 23 N -1.00 1.29 0.67 1.52 -4.36 -0.87 -4.77 121.20 113.68 1ggw s ILE 23 Ca 0.15 -0.76 -0.02 0.00 -0.26 0.00 0.00 60.65 59.76 1ggw s ILE 23 Cb -0.10 -1.09 0.08 0.00 1.25 0.00 0.00 42.46 42.60 1ggw s ILE 23 CO 0.06 0.32 0.94 -2.16 0.24 0.00 0.00 174.94 174.34 1ggw s PRO 24 N -0.51 2.04 0.42 0.37 0.04 -1.26 -2.26 135.00 133.84 1ggw s PRO 24 Ca 0.06 -0.77 0.25 0.00 0.04 0.00 0.00 61.00 60.59 1ggw s PRO 24 Cb -0.07 -2.32 1.32 0.00 0.04 0.00 0.00 34.50 33.47 1ggw s PRO 24 CO -0.00 -1.19 1.66 1.57 0.04 0.00 0.00 177.00 179.07 1ggw h LYS 25 N -0.39 0.17 -0.41 4.56 2.10 -1.94 0.85 116.57 121.51 1ggw h LYS 25 Ca -0.41 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.24 1ggw h LYS 25 Cb 1.29 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 32.56 1ggw h LYS 25 CO 0.49 0.11 0.26 1.79 -2.00 0.00 0.00 179.45 180.10 1ggw h THR 26 N 0.17 1.08 -0.01 0.07 1.35 -1.95 -2.41 112.91 111.21 1ggw h THR 26 Ca 0.76 -0.18 -0.01 0.00 -0.55 0.00 0.00 66.41 66.44 1ggw h THR 26 Cb 2.23 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 1ggw h THR 26 CO -0.43 0.10 -0.02 -1.28 -0.25 0.00 0.00 175.52 173.64 1ggw h SER 27 N 0.53 0.04 -0.95 5.36 0.87 -1.15 -3.25 113.55 115.00 1ggw h SER 27 Ca 0.16 -0.57 0.21 0.00 -1.23 0.00 0.00 61.79 60.36 1ggw h SER 27 Cb -0.04 -0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 61.84 1ggw h SER 27 CO -0.05 0.59 0.62 0.40 -0.53 0.00 0.00 176.83 177.86 1ggw h ILE 28 N -0.52 0.66 0.00 2.23 1.08 -1.39 0.38 117.51 119.95 1ggw h ILE 28 Ca 0.00 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1ggw h ILE 28 Cb 0.59 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 34.47 1ggw h ILE 28 CO 0.00 0.09 0.00 0.61 -0.69 0.00 0.00 178.15 178.16 1ggw n GLY 29 N -1.47 -2.84 0.30 5.37 0.00 -0.91 -0.93 105.19 104.70 1ggw n GLY 29 Ca 0.21 0.22 0.18 0.00 0.00 0.00 0.00 46.02 46.63 1ggw n GLY 29 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ggw h ASP 30 N 0.00 0.00 -0.10 1.61 2.03 -1.65 -2.81 116.42 115.50 1ggw h ASP 30 Ca 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 1ggw h ASP 30 Cb 0.00 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1ggw h ASP 30 CO 0.00 0.03 0.00 0.25 -1.03 0.00 0.00 179.24 178.50 1ggw h LEU 31 N 0.00 0.17 -1.83 0.15 5.85 -0.69 -2.79 115.31 116.18 1ggw h LEU 31 Ca -0.00 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1ggw h LEU 31 Cb 0.28 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 1ggw h LEU 31 CO 0.00 0.43 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.44 1ggw h LEU 32 N -0.08 0.06 -0.95 2.25 3.38 -0.77 -2.23 115.31 116.97 1ggw h LEU 32 Ca 0.03 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.09 1ggw h LEU 32 Cb 0.33 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.99 1ggw h LEU 32 CO 0.00 0.11 0.59 -0.09 0.09 0.00 0.00 178.44 179.14 1ggw h ARG 33 N 0.07 0.95 -0.34 1.13 2.43 -0.92 -0.64 114.38 117.08 1ggw h ARG 33 Ca 0.02 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1ggw h ARG 33 Cb 0.10 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1ggw h ARG 33 CO 0.00 0.63 0.10 0.00 -1.51 0.00 0.00 179.97 179.19 1ggw h ALA 34 N 1.49 1.54 -1.01 2.80 0.00 -1.40 -2.80 119.26 119.88 1ggw h ALA 34 Ca 0.45 -0.12 -0.62 0.00 0.00 0.00 0.00 54.91 54.62 1ggw h ALA 34 Cb 0.37 -0.14 -0.37 0.00 0.00 0.00 0.00 17.79 17.64 1ggw h ALA 34 CO -0.24 0.35 -0.15 0.00 0.00 0.00 0.00 179.25 179.21 1ggw n GLY 36 N -0.69 0.55 3.36 0.00 0.00 -0.67 -4.64 105.19 103.11 1ggw n GLY 36 Ca 0.49 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 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 1.49 -0.25 1.61 -1.52 -1.15 -4.72 119.66 115.12 1ggw s GLN 37 Ca 0.00 -1.81 0.02 0.00 -1.95 0.00 0.00 55.36 51.62 1ggw s GLN 37 Cb 0.00 -0.46 0.05 0.00 -0.22 0.00 0.00 33.01 32.38 1ggw s GLN 37 CO 0.00 -0.26 -0.11 1.21 -0.25 0.00 0.00 175.29 175.88 1ggw s ASN 38 N -3.37 4.21 0.20 5.90 3.04 -1.26 -1.33 114.94 122.33 1ggw s ASN 38 Ca 0.37 -1.19 0.00 0.00 0.04 0.00 0.00 52.86 52.08 1ggw s ASN 38 Cb 0.08 -1.56 0.00 0.00 -1.54 0.00 0.00 41.25 38.23 1ggw s ASN 38 CO 0.14 -0.15 0.00 -0.81 -3.04 0.00 0.00 177.10 173.24 1ggw n PRO 39 N 4.51 1.15 -3.28 0.43 -0.04 -1.26 -5.00 135.00 131.51 1ggw n PRO 39 Ca -0.16 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.10 1ggw n PRO 39 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 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 0.21 3.96 0.37 0.52 -4.23 -1.26 -4.91 115.64 110.30 1ggw s THR 40 Ca 0.00 -0.83 0.09 0.00 -1.18 0.00 0.00 61.69 59.77 1ggw s THR 40 Cb 0.00 -3.40 0.32 0.00 1.34 0.00 0.00 72.50 70.76 1ggw s THR 40 CO 0.00 -0.20 1.89 -0.07 -0.54 0.00 0.00 174.62 175.71 1ggw h LEU 41 N 0.70 0.63 -1.33 4.79 -0.00 -1.99 0.48 115.31 118.59 1ggw h LEU 41 Ca -0.46 0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.45 1ggw h LEU 41 Cb 1.26 -0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 41.79 1ggw h LEU 41 CO 0.54 0.34 0.35 0.00 -0.00 0.00 0.00 178.44 179.67 1ggw h ALA 42 N 1.60 1.50 0.11 1.53 0.00 -1.99 -0.11 119.26 121.90 1ggw h ALA 42 Ca 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1ggw h ALA 42 Cb 0.63 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ggw h ALA 42 CO -0.17 0.43 -0.05 1.49 0.00 0.00 0.00 179.25 180.95 1ggw h GLU 43 N 0.82 -0.14 -0.36 0.00 4.22 -1.29 -1.91 114.58 115.92 1ggw h GLU 43 Ca 0.22 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.66 1ggw h GLU 43 Cb -0.02 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1ggw h GLU 43 CO -0.04 0.16 0.21 -0.84 -2.18 0.00 0.00 179.01 176.32 1ggw h ILE 44 N -0.44 1.13 -0.89 2.32 -2.65 -1.22 -2.47 117.51 113.29 1ggw h ILE 44 Ca -0.01 -0.31 0.11 0.00 1.03 0.00 0.00 64.86 65.67 1ggw h ILE 44 Cb 0.36 0.68 -0.08 0.00 -2.05 0.00 0.00 36.82 35.73 1ggw h ILE 44 CO 0.02 0.13 0.53 0.74 0.03 0.00 0.00 178.15 179.60 1ggw h THR 45 N 0.46 0.91 -0.80 0.16 2.02 -1.03 -0.99 112.91 113.64 1ggw h THR 45 Ca 0.13 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 67.02 1ggw h THR 45 Cb 0.02 -0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.36 1ggw h THR 45 CO -0.02 0.16 0.52 -0.33 0.37 0.00 0.00 175.52 176.21 1ggw h GLU 46 N 0.86 1.06 -0.04 6.66 5.08 -0.91 -1.50 114.58 125.79 1ggw h GLU 46 Ca 0.44 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1ggw h GLU 46 Cb 0.42 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ggw h GLU 46 CO -0.26 0.71 0.02 0.82 -1.00 0.00 0.00 179.01 179.31 1ggw h ILE 47 N 1.09 1.08 -0.16 3.13 2.04 -0.80 -2.18 117.51 121.69 1ggw h ILE 47 Ca 0.29 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.98 1ggw h ILE 47 Cb -0.11 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1ggw h ILE 47 CO -0.06 0.06 0.16 -0.33 0.00 0.00 0.00 178.15 177.98 1ggw h GLU 48 N -0.02 0.00 0.00 2.37 5.08 -0.90 -1.69 114.58 119.42 1ggw h GLU 48 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1ggw h GLU 48 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 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 -3.94 0.01 -0.01 1.42 2.88 -0.60 -3.09 113.62 110.29 1ggw n SER 49 Ca 0.01 0.50 -0.02 0.00 -1.33 0.00 0.00 58.87 58.04 1ggw n SER 49 Cb 0.28 -0.51 -0.01 0.00 -0.75 0.00 0.00 64.21 63.22 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 -1.51 0.15 -3.58 2.46 -2.24 -0.65 -5.05 114.28 103.87 1ggw n THR 50 Ca 0.01 -0.07 -0.31 0.00 -2.27 0.00 0.00 64.05 61.41 1ggw n THR 50 Cb 0.06 -0.75 -0.04 0.00 -2.10 0.00 0.00 70.33 67.50 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 -4.71 4.21 0.22 3.22 1.43 -1.13 -5.03 118.68 116.89 1ggw s LEU 51 Ca -0.03 0.65 -0.22 0.00 -1.03 0.00 0.00 54.13 53.51 1ggw s LEU 51 Cb 0.01 -3.40 -0.14 0.00 0.03 0.00 0.00 46.19 42.68 1ggw s LEU 51 CO 0.07 -0.02 0.34 -2.65 0.23 0.00 0.00 176.35 174.32 1ggw n PRO 52 N -0.19 0.00 -0.09 1.29 -0.02 -1.26 -4.73 135.00 130.00 1ggw n PRO 52 Ca -0.02 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.44 1ggw n PRO 52 Cb 0.52 -0.85 -0.02 0.00 -0.02 0.00 0.00 33.50 33.13 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 -0.24 -0.13 -2.72 3.55 0.00 -1.26 -3.93 120.51 115.77 1ggw n ALA 53 Ca 0.14 0.18 -0.37 0.00 0.00 0.00 0.00 53.44 53.38 1ggw n ALA 53 Cb 0.25 -0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.62 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 -4.84 4.30 -1.04 0.00 2.02 -1.26 -4.97 118.70 112.91 1ggw s GLU 54 Ca -0.02 0.30 -0.18 0.00 0.02 0.00 0.00 54.97 55.08 1ggw s GLU 54 Cb 0.02 -3.44 0.12 0.00 0.10 0.00 0.00 34.13 30.93 1ggw s GLU 54 CO 0.13 0.16 1.29 0.08 0.02 0.00 0.00 175.26 176.94 1ggw s VAL 55 N 0.65 4.64 0.82 2.63 1.01 -0.96 -4.85 120.40 124.34 1ggw s VAL 55 Ca 0.22 -1.74 -0.09 0.00 0.00 0.00 0.00 61.98 60.37 1ggw s VAL 55 Cb -0.14 -4.88 0.18 0.00 0.00 0.00 0.00 36.38 31.54 1ggw s VAL 55 CO 0.08 -1.63 1.11 -0.90 0.00 0.00 0.00 175.10 173.76 1ggw n ASP 56 N 6.80 0.57 -0.33 3.32 5.68 -1.26 -2.05 116.55 129.27 1ggw n ASP 56 Ca 0.30 -1.70 0.12 0.00 -0.50 0.00 0.00 54.79 53.01 1ggw n ASP 56 Cb 0.48 -0.81 0.25 0.00 -1.14 0.00 0.00 41.12 39.90 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 0.20 0.11 2.86 -1.95 0.22 114.93 116.39 1ggw h MET 57 Ca -0.36 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.27 1ggw h MET 57 Cb 1.12 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.77 1ggw h MET 57 CO 0.30 0.02 -0.10 1.49 1.06 0.00 0.00 176.91 179.68 1ggw h GLU 58 N 0.03 -0.26 0.05 1.72 4.81 -1.93 -1.47 114.58 117.52 1ggw h GLU 58 Ca 0.55 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.81 1ggw h GLU 58 Cb 1.08 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1ggw h GLU 58 CO -0.89 0.08 -0.12 1.96 -0.73 0.00 0.00 179.01 179.30 1ggw h GLN 59 N -0.62 -0.23 -0.41 1.92 7.50 -1.53 -0.01 115.11 121.74 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 0.45 0.05 -0.02 0.00 0.05 0.00 0.00 27.48 28.01 1ggw h GLN 59 CO 0.04 -0.15 0.27 0.35 -1.50 0.00 0.00 178.83 177.84 1ggw h PHE 60 N -0.24 0.52 -0.89 2.96 3.57 -0.72 -2.56 116.94 119.58 1ggw h PHE 60 Ca 0.03 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1ggw h PHE 60 Cb 0.26 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 1ggw h PHE 60 CO -0.16 0.33 0.54 -0.07 -2.23 0.00 0.00 178.31 176.73 1ggw h LEU 61 N 0.55 1.06 0.01 0.59 3.38 -1.05 0.26 115.31 120.11 1ggw h LEU 61 Ca 0.15 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1ggw h LEU 61 Cb -0.06 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 1ggw h LEU 61 CO -0.03 0.81 -0.14 1.56 0.09 0.00 0.00 178.44 180.72 1ggw h GLN 62 N 1.22 -0.23 0.00 1.13 4.20 -0.60 -0.62 115.11 120.21 1ggw h GLN 62 Ca 0.32 0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.92 1ggw h GLN 62 Cb -0.06 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1ggw h GLN 62 CO -0.06 -0.16 -0.62 -0.39 -0.67 0.00 0.00 178.83 176.93 1ggw h VAL 63 N -0.24 1.36 -0.10 -0.54 -1.51 -1.28 -3.24 116.25 110.71 1ggw h VAL 63 Ca 0.05 -2.20 0.00 0.00 -1.23 0.00 0.00 66.70 63.32 1ggw h VAL 63 Cb 0.30 2.21 -0.00 0.00 -2.13 0.00 0.00 31.29 31.67 1ggw h VAL 63 CO -0.14 0.61 0.06 0.25 -1.23 0.00 0.00 177.57 177.13 1ggw h LEU 64 N 0.00 0.11 -4.28 4.19 5.85 0.05 -2.86 115.31 118.37 1ggw h LEU 64 Ca -0.01 -0.03 -0.61 0.00 0.84 0.00 0.00 57.88 58.08 1ggw h LEU 64 Cb 1.16 -0.03 -0.24 0.00 0.37 0.00 0.00 40.66 41.93 1ggw h LEU 64 CO 0.08 0.10 0.77 0.59 -0.34 0.00 0.00 178.44 179.65 1ggw n ASN 65 N -5.01 7.24 0.32 1.25 3.02 -0.29 -4.63 115.26 117.16 1ggw n ASN 65 Ca -0.05 -3.58 -0.17 0.00 -0.03 0.00 0.00 54.58 50.75 1ggw n ASN 65 Cb 0.04 -1.06 -0.09 0.00 -0.61 0.00 0.00 39.78 38.06 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 2.36 -0.75 -0.82 3.52 2.43 -1.53 -2.86 114.38 116.72 1ggw h ARG 66 Ca 0.51 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.73 1ggw h ARG 66 Cb 0.59 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1ggw h ARG 66 CO 1.28 -0.48 0.00 -0.35 -1.51 0.00 0.00 179.97 178.92 1ggw n PRO 67 N -5.40 1.68 -2.64 0.20 -0.04 -1.26 -4.95 135.00 122.58 1ggw n PRO 67 Ca -0.13 -0.58 -0.05 0.00 -0.04 0.00 0.00 63.50 62.71 1ggw n PRO 67 Cb 0.33 -1.58 -0.04 0.00 -0.04 0.00 0.00 33.50 32.17 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 0.09 -1.78 0.00 3.54 4.13 -1.08 -4.99 115.26 115.16 1ggw n ASN 68 Ca 0.05 1.35 0.00 0.00 1.68 0.00 0.00 54.58 57.66 1ggw n ASN 68 Cb 0.39 -5.15 0.00 0.00 -1.54 0.00 0.00 39.78 33.48 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 1.59 1.30 4.00 7.41 0.00 -1.26 -5.06 105.19 113.17 1ggw n GLY 69 Ca -0.35 -2.21 -0.19 0.00 0.00 0.00 0.00 46.02 43.27 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 -1.37 2.13 -1.05 1.61 0.08 -1.26 -4.56 117.98 113.56 1ggw s PHE 70 Ca 0.00 -0.57 -0.15 0.00 0.12 0.00 0.00 56.93 56.33 1ggw s PHE 70 Cb 0.00 -2.27 -0.01 0.00 -0.57 0.00 0.00 43.02 40.17 1ggw s PHE 70 CO 0.00 -0.72 0.78 -3.47 -0.10 0.00 0.00 175.22 171.71 1ggw n ASP 71 N -1.99 -5.70 0.01 1.36 2.03 -1.26 -4.75 116.55 106.24 1ggw n ASP 71 Ca 0.10 -0.87 0.00 0.00 0.52 0.00 0.00 54.79 54.54 1ggw n ASP 71 Cb 0.61 -3.58 0.00 0.00 -0.72 0.00 0.00 41.12 37.43 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 -3.66 0.00 -0.19 -0.67 1.56 -1.26 -5.00 117.12 107.90 1ggw n MET 72 Ca -0.10 0.00 -0.06 0.00 -0.27 0.00 0.00 57.70 57.26 1ggw n MET 72 Cb 0.59 0.00 0.03 0.00 2.15 0.00 0.00 33.22 35.99 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 0.74 0.00 2.12 0.11 -1.82 -3.34 132.00 129.82 1ggw h PRO 73 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1ggw h PRO 73 Cb 0.00 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 30.94 1ggw h PRO 73 CO 0.00 0.50 0.00 0.41 -0.21 0.00 0.00 178.00 178.70 1ggw n GLY 74 N -1.24 -3.26 3.60 -0.55 0.00 -1.26 -4.30 105.19 98.17 1ggw n GLY 74 Ca 0.04 0.40 -0.43 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.52 6.64 -0.03 1.61 1.01 -1.25 -4.81 116.67 117.32 1ggw s ASP 75 Ca 0.00 0.47 -0.05 0.00 0.71 0.00 0.00 52.55 53.68 1ggw s ASP 75 Cb 0.00 -2.51 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 1ggw s ASP 75 CO 0.00 -1.10 0.36 -0.65 0.21 0.00 0.00 175.17 173.98 1ggw h PRO 76 N 8.94 -0.18 0.00 8.23 0.11 -1.77 -3.08 132.00 144.26 1ggw h PRO 76 Ca -0.23 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.84 1ggw h PRO 76 Cb 1.07 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1ggw h PRO 76 CO 1.07 -0.12 -0.23 1.05 -0.21 0.00 0.00 178.00 179.56 1ggw h GLU 77 N -0.54 0.00 0.09 1.05 9.09 -1.94 -2.68 114.58 119.65 1ggw h GLU 77 Ca -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.39 1ggw h GLU 77 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.24 1ggw h GLU 77 CO 0.03 0.23 -0.04 1.49 0.05 0.00 0.00 179.01 180.77 1ggw h GLU 78 N 0.00 -0.11 -0.60 1.06 4.81 -1.98 -1.46 114.58 116.30 1ggw h GLU 78 Ca -0.00 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1ggw h GLU 78 Cb 0.77 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 1ggw h GLU 78 CO 0.03 0.31 0.02 0.27 -0.73 0.00 0.00 179.01 178.92 1ggw h PHE 79 N -0.58 1.12 -0.33 0.92 -5.15 -1.57 -2.18 116.94 109.16 1ggw h PHE 79 Ca -0.01 -0.18 -0.03 0.00 -0.20 0.00 0.00 57.97 57.55 1ggw h PHE 79 Cb 0.48 -0.30 -0.01 0.00 0.22 0.00 0.00 35.95 36.34 1ggw h PHE 79 CO 0.07 0.98 0.11 0.28 -2.00 0.00 0.00 178.31 177.74 1ggw h VAL 80 N 0.95 1.20 -0.70 0.88 2.07 -1.51 -2.31 116.25 116.84 1ggw h VAL 80 Ca 0.18 -0.66 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 1ggw h VAL 80 Cb 0.52 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1ggw h VAL 80 CO 0.02 0.23 0.14 0.11 0.02 0.00 0.00 177.57 178.09 1ggw h LYS 81 N 0.38 1.13 -0.29 1.57 6.56 -1.19 0.17 116.57 124.90 1ggw h LYS 81 Ca 0.11 -0.29 -0.02 0.00 -1.06 0.00 0.00 60.65 59.38 1ggw h LYS 81 Cb 0.24 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 31.75 1ggw h LYS 81 CO -0.00 1.02 0.09 0.78 -2.06 0.00 0.00 179.45 179.27 1ggw h GLY 82 N 1.07 0.49 1.52 3.86 0.00 -1.31 -3.15 103.07 105.55 1ggw h GLY 82 Ca 0.21 -0.29 -0.22 0.00 0.00 0.00 0.00 47.33 47.03 1ggw h GLY 82 CO 0.01 0.28 -0.92 0.74 0.00 0.00 0.00 176.54 176.64 1ggw h PHE 83 N 0.31 0.65 -0.20 5.60 -1.00 -1.38 -3.38 116.94 117.54 1ggw h PHE 83 Ca 0.09 -0.34 -0.69 0.00 2.81 0.00 0.00 57.97 59.84 1ggw h PHE 83 Cb 0.25 -0.08 -0.04 0.00 3.61 0.00 0.00 35.95 39.69 1ggw h PHE 83 CO 0.01 1.16 2.80 0.94 -1.61 0.00 0.00 178.31 181.60 1ggw n GLN 84 N -3.77 2.76 0.11 1.51 7.27 0.58 -3.98 117.38 121.87 1ggw n GLN 84 Ca -0.07 -2.68 0.00 0.00 0.07 0.00 0.00 57.00 54.33 1ggw n GLN 84 Cb 0.82 -3.31 0.00 0.00 2.41 0.00 0.00 30.24 30.16 1ggw n GLN 84 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1ggw n VAL 85 N 5.55 0.00 -2.10 1.69 0.31 -1.26 -4.83 118.33 117.69 1ggw n VAL 85 Ca 0.51 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.83 1ggw n VAL 85 Cb 0.41 -0.48 0.10 0.00 -0.91 0.00 0.00 33.84 32.95 1ggw n VAL 85 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1ggw n PHE 86 N -3.24 0.66 -3.17 3.52 -0.00 -1.26 -4.86 117.46 109.11 1ggw n PHE 86 Ca 0.00 -1.43 -0.21 0.00 -0.00 0.00 0.00 57.45 55.82 1ggw n PHE 86 Cb 0.00 -0.23 -0.05 0.00 -0.00 0.00 0.00 39.48 39.20 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 -0.51 0.33 0.13 -2.13 9.92 -1.26 -4.94 116.55 118.09 1ggw n ASP 87 Ca 0.18 -2.85 0.03 0.00 -0.53 0.00 0.00 54.79 51.62 1ggw n ASP 87 Cb 0.89 -0.54 0.41 0.00 -0.64 0.00 0.00 41.12 41.24 1ggw n ASP 87 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1ggw h LYS 88 N 3.58 0.22 0.00 -1.24 1.57 -1.90 -3.27 116.57 115.53 1ggw h LYS 88 Ca 0.07 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1ggw h LYS 88 Cb 0.92 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.20 1ggw h LYS 88 CO 0.47 0.35 -0.08 0.22 -0.57 0.00 0.00 179.45 179.83 1ggw h ASP 89 N 0.21 0.00 0.00 0.86 3.58 -1.92 -3.47 116.42 115.68 1ggw h ASP 89 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1ggw h ASP 89 Cb 0.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.39 1ggw h ASP 89 CO 0.02 0.44 0.00 0.00 -2.88 0.00 0.00 179.24 176.82 1ggw n ALA 90 N -2.77 0.00 -1.89 -0.78 0.00 -1.24 -4.83 120.51 109.01 1ggw n ALA 90 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 1ggw n ALA 90 Cb 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.45 1ggw n ALA 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ggw s THR 91 N 0.00 3.27 0.00 0.00 -4.23 -1.26 -2.01 115.64 111.41 1ggw s THR 91 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 1ggw s THR 91 Cb 0.00 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.18 1ggw s THR 91 CO 0.00 -0.63 0.00 0.61 -0.54 0.00 0.00 174.62 174.06 1ggw n GLY 92 N 6.30 1.14 3.54 3.99 0.00 -1.26 -5.09 105.19 113.81 1ggw n GLY 92 Ca 0.34 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.23 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 0.73 -0.06 1.61 0.23 -0.85 -3.99 119.30 116.97 1ggw s MET 93 Ca 0.00 0.91 0.00 0.00 -1.03 0.00 0.00 55.69 55.58 1ggw s MET 93 Cb 0.00 0.33 -0.04 0.00 -1.53 0.00 0.00 34.83 33.59 1ggw s MET 93 CO 0.00 -0.10 -0.06 1.51 -2.03 0.00 0.00 175.02 174.35 1ggw n ILE 94 N 2.92 0.35 -2.89 3.16 0.00 -1.26 -3.79 119.36 117.85 1ggw n ILE 94 Ca -0.15 -0.13 -0.10 0.00 0.00 0.00 0.00 62.75 62.37 1ggw n ILE 94 Cb 0.56 -0.75 0.01 0.00 0.00 0.00 0.00 39.64 39.46 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 3.19 -1.28 0.50 4.50 0.00 -1.18 -4.58 105.19 106.33 1ggw n GLY 95 Ca -0.11 1.25 0.35 0.00 0.00 0.00 0.00 46.02 47.51 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 2.03 0.26 -0.73 1.61 2.07 -0.88 -1.05 116.25 119.56 1ggw h VAL 96 Ca -0.04 -0.05 0.16 0.00 0.82 0.00 0.00 66.70 67.60 1ggw h VAL 96 Cb 1.01 0.11 -0.12 0.00 -1.52 0.00 0.00 31.29 30.77 1ggw h VAL 96 CO 0.20 0.02 0.08 1.23 0.02 0.00 0.00 177.57 179.12 1ggw h GLY 97 N 0.13 0.89 0.46 2.17 0.00 -1.49 0.83 103.07 106.07 1ggw h GLY 97 Ca 0.73 0.05 -0.06 0.00 0.00 0.00 0.00 47.33 48.05 1ggw h GLY 97 CO -0.26 -0.25 -0.23 0.83 0.00 0.00 0.00 176.54 176.63 1ggw h GLU 98 N 0.17 0.17 -0.87 4.80 5.08 -1.48 -2.74 114.58 119.71 1ggw h GLU 98 Ca 0.40 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.63 1ggw h GLU 98 Cb 0.70 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 1ggw h GLU 98 CO -0.58 0.89 0.57 1.37 -1.00 0.00 0.00 179.01 180.26 1ggw h LEU 99 N -0.48 0.92 -0.17 1.33 8.10 -1.33 -2.51 115.31 121.16 1ggw h LEU 99 Ca -0.03 -0.01 -0.03 0.00 0.11 0.00 0.00 57.88 57.92 1ggw h LEU 99 Cb 0.97 -0.21 -0.01 0.00 -0.44 0.00 0.00 40.66 40.97 1ggw h LEU 99 CO 0.05 0.62 -0.03 -0.09 -4.11 0.00 0.00 178.44 174.88 1ggw h ARG 100 N 1.06 0.32 -0.95 0.17 1.12 0.59 -1.48 114.38 115.21 1ggw h ARG 100 Ca 0.35 -0.12 0.14 0.00 -1.11 0.00 0.00 59.98 59.24 1ggw h ARG 100 Cb 0.07 -0.02 -0.09 0.00 -0.01 0.00 0.00 29.97 29.92 1ggw h ARG 100 CO -0.11 0.57 0.56 -0.92 -3.11 0.00 0.00 179.97 176.97 1ggw h TYR 101 N 0.04 1.01 0.06 2.20 3.20 -1.13 0.20 116.97 122.55 1ggw h TYR 101 Ca 0.04 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1ggw h TYR 101 Cb 0.45 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1ggw h TYR 101 CO 0.05 0.33 -0.03 0.28 -1.64 0.00 0.00 178.16 177.15 1ggw h VAL 102 N 0.84 0.95 -0.76 1.81 2.07 -1.42 -3.27 116.25 116.47 1ggw h VAL 102 Ca 0.49 -1.52 0.02 0.00 0.82 0.00 0.00 66.70 66.51 1ggw h VAL 102 Cb 0.60 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 1ggw h VAL 102 CO -0.31 0.30 0.50 -0.07 0.02 0.00 0.00 177.57 178.01 1ggw h LEU 103 N -0.94 0.85 -1.09 2.57 3.38 -1.14 -2.40 115.31 116.54 1ggw h LEU 103 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ggw h LEU 103 Cb 0.55 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1ggw h LEU 103 CO 0.01 0.61 0.54 0.74 0.09 0.00 0.00 178.44 180.43 1ggw h THR 104 N 1.00 1.23 0.00 0.22 2.02 -0.74 -1.41 112.91 115.23 1ggw h THR 104 Ca 0.28 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1ggw h THR 104 Cb -0.07 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.33 1ggw h THR 104 CO -0.07 0.24 0.00 0.28 0.37 0.00 0.00 175.52 176.34 1ggw h SER 105 N 1.19 0.00 0.11 4.18 0.02 -1.48 -0.87 113.55 116.70 1ggw h SER 105 Ca 0.31 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 1ggw h SER 105 Cb -0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1ggw h SER 105 CO -0.06 0.00 -0.05 -0.07 -1.14 0.00 0.00 176.83 175.50 1ggw h LEU 106 N 0.00 -0.13 -5.02 5.07 3.38 -1.15 -3.45 115.31 114.01 1ggw h LEU 106 Ca 0.00 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.73 1ggw h LEU 106 Cb 0.42 0.03 -0.17 0.00 0.09 0.00 0.00 40.66 41.04 1ggw h LEU 106 CO 0.00 0.37 -0.37 0.61 0.09 0.00 0.00 178.44 179.14 1ggw n GLY 107 N 1.38 1.79 3.57 0.83 0.00 -1.16 -5.01 105.19 106.58 1ggw n GLY 107 Ca -0.02 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.15 -4.60 0.00 1.61 1.02 -0.33 -5.01 120.64 112.18 1ggw n GLU 108 Ca -0.11 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 1ggw n GLU 108 Cb 0.86 -5.34 0.00 0.00 -0.02 0.00 0.00 31.44 26.95 1ggw n GLU 108 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1ggw n LYS 109 N -4.08 2.93 -1.77 3.49 3.00 -1.22 -4.62 118.16 115.89 1ggw n LYS 109 Ca -0.25 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 57.76 1ggw n LYS 109 Cb 0.66 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.62 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 3.00 0.00 3.14 4.77 -1.26 -4.84 117.00 121.80 1ggw n LEU 110 Ca 0.00 -2.98 -0.07 0.00 -0.03 0.00 0.00 56.01 52.93 1ggw n LEU 110 Cb 0.00 -1.57 0.06 0.00 -2.33 0.00 0.00 43.42 39.59 1ggw n LEU 110 CO 0.00 -1.75 0.12 -1.54 -1.33 0.00 0.00 177.39 172.89 1ggw n SER 111 N 13.44 -1.79 -0.34 -1.43 3.41 -1.26 -4.35 113.62 121.29 1ggw n SER 111 Ca 0.45 -0.47 0.15 0.00 -0.26 0.00 0.00 58.87 58.74 1ggw n SER 111 Cb 0.45 -0.24 0.35 0.00 -0.26 0.00 0.00 64.21 64.52 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 -1.82 0.73 -0.02 4.04 -1.24 -1.94 -1.10 115.58 114.24 1ggw h ASN 112 Ca -0.10 0.10 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1ggw h ASN 112 Cb 0.31 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.33 1ggw h ASN 112 CO 0.06 0.24 0.00 -0.08 -1.29 0.00 0.00 177.43 176.36 1ggw h GLU 113 N 0.70 0.03 0.20 6.67 4.81 -1.97 0.34 114.58 125.36 1ggw h GLU 113 Ca 0.58 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.81 1ggw h GLU 113 Cb 1.00 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1ggw h GLU 113 CO -0.38 0.24 -0.15 0.93 -0.73 0.00 0.00 179.01 178.91 1ggw h GLU 114 N -0.19 -0.35 0.00 1.92 3.07 -1.62 -2.21 114.58 115.20 1ggw h GLU 114 Ca 0.01 0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.84 1ggw h GLU 114 Cb 0.22 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1ggw h GLU 114 CO -0.00 -0.23 -0.23 0.00 -1.40 0.00 0.00 179.01 177.15 1ggw h MET 115 N -0.36 0.00 -0.14 2.33 -0.00 -1.25 -2.76 114.93 112.76 1ggw h MET 115 Ca -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.71 1ggw h MET 115 Cb 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.91 1ggw h MET 115 CO -0.01 0.23 0.03 -0.44 -0.00 0.00 0.00 176.91 176.72 1ggw h ASP 116 N 0.00 0.01 -0.40 -0.10 3.32 0.31 0.30 116.42 119.86 1ggw h ASP 116 Ca -0.00 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 1ggw h ASP 116 Cb 0.54 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1ggw h ASP 116 CO 0.03 0.03 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.21 1ggw h GLU 117 N 0.09 0.73 -0.92 3.56 5.08 -1.36 -1.73 114.58 120.03 1ggw h GLU 117 Ca 0.06 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1ggw h GLU 117 Cb 0.05 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1ggw h GLU 117 CO -0.08 0.84 0.53 1.37 -1.00 0.00 0.00 179.01 180.67 1ggw h LEU 118 N 0.55 1.12 -0.74 1.33 8.10 -1.21 -2.40 115.31 122.05 1ggw h LEU 118 Ca 0.11 -0.08 -0.13 0.00 0.11 0.00 0.00 57.88 57.88 1ggw h LEU 118 Cb 0.54 -0.28 -0.01 0.00 -0.44 0.00 0.00 40.66 40.46 1ggw h LEU 118 CO 0.03 0.88 -0.52 -0.07 -4.11 0.00 0.00 178.44 174.65 1ggw h LEU 119 N 1.27 0.32 -0.90 0.17 3.38 -0.30 -1.56 115.31 117.69 1ggw h LEU 119 Ca 0.33 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1ggw h LEU 119 Cb -0.02 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1ggw h LEU 119 CO -0.06 0.78 0.19 0.11 0.09 0.00 0.00 178.44 179.56 1ggw h LYS 120 N 0.23 1.00 0.09 1.13 1.57 -0.84 -3.18 116.57 116.58 1ggw h LYS 120 Ca 0.01 -0.21 -0.16 0.00 -1.87 0.00 0.00 60.65 58.42 1ggw h LYS 120 Cb 0.99 -0.15 0.02 0.00 0.08 0.00 0.00 32.23 33.17 1ggw h LYS 120 CO 0.08 0.86 -0.69 0.78 -0.57 0.00 0.00 179.45 179.92 1ggw h GLY 121 N 1.05 0.34 -4.39 3.86 0.00 -1.37 -3.45 103.07 99.12 1ggw h GLY 121 Ca 0.21 -0.78 -0.54 0.00 0.00 0.00 0.00 47.33 46.23 1ggw h GLY 121 CO -0.01 0.68 0.39 0.14 0.00 0.00 0.00 176.54 177.75 1ggw s VAL 122 N -2.62 4.75 -1.42 4.60 1.01 -0.60 -4.95 120.40 121.16 1ggw s VAL 122 Ca -0.14 2.00 -0.11 0.00 0.00 0.00 0.00 61.98 63.73 1ggw s VAL 122 Cb 0.01 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 32.05 1ggw s VAL 122 CO 0.82 0.17 2.60 -0.81 0.00 0.00 0.00 175.10 177.88 1ggw n PRO 123 N 3.79 3.12 -4.46 2.72 -0.04 -1.26 -4.74 135.00 134.12 1ggw n PRO 123 Ca 0.06 -2.15 -0.24 0.00 -0.04 0.00 0.00 63.50 61.13 1ggw n PRO 123 Cb 0.50 -2.86 -0.09 0.00 -0.04 0.00 0.00 33.50 31.02 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 2.77 0.58 -0.37 0.52 -7.23 -1.26 -5.08 120.40 110.32 1ggw s VAL 124 Ca 0.59 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.85 1ggw s VAL 124 Cb 0.16 -2.43 0.44 0.00 0.56 0.00 0.00 36.38 35.11 1ggw s VAL 124 CO -0.05 0.00 1.10 1.17 -0.31 0.00 0.00 175.10 177.01 1ggw n LYS 125 N -0.82 2.95 0.00 4.82 3.00 -1.26 -4.73 118.16 122.12 1ggw n LYS 125 Ca -0.04 -4.13 0.00 0.00 -0.00 0.00 0.00 58.31 54.14 1ggw n LYS 125 Cb 0.65 -2.04 0.00 0.00 0.00 0.00 0.00 35.03 33.64 1ggw n LYS 125 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ggw n ASP 126 N -0.47 0.00 0.00 3.14 -0.08 -1.26 -5.02 116.55 112.86 1ggw n ASP 126 Ca 0.33 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.61 1ggw n ASP 126 Cb 0.77 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.23 1ggw n ASP 126 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ggw n GLY 127 N 0.00 0.86 3.50 0.27 0.00 -1.26 -1.29 105.19 107.27 1ggw n GLY 127 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 0.27 3.71 -0.05 1.61 0.00 -1.26 -0.94 119.30 122.63 1ggw s MET 128 Ca 0.00 -0.46 0.23 0.00 0.00 0.00 0.00 55.69 55.45 1ggw s MET 128 Cb 0.00 -3.50 0.40 0.00 0.00 0.00 0.00 34.83 31.73 1ggw s MET 128 CO 0.00 -0.23 1.15 0.28 0.00 0.00 0.00 175.02 176.22 1ggw n VAL 129 N 4.99 0.22 -2.19 10.11 0.31 -1.26 -4.89 118.33 125.61 1ggw n VAL 129 Ca -0.15 -1.24 -0.18 0.00 -0.01 0.00 0.00 64.34 62.76 1ggw n VAL 129 Cb 0.51 1.00 -0.03 0.00 -0.91 0.00 0.00 33.84 34.42 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 0.20 -5.19 -4.18 4.52 5.15 -1.26 -2.48 115.26 112.02 1ggw n ASN 130 Ca 0.02 0.15 -0.31 0.00 -0.60 0.00 0.00 54.58 53.84 1ggw n ASN 130 Cb 1.04 -4.41 -0.05 0.00 -0.53 0.00 0.00 39.78 35.82 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 -3.42 -1.50 0.03 1.20 9.36 -1.26 -4.73 117.16 116.83 1ggw n TYR 131 Ca -0.21 0.71 0.00 0.00 3.32 0.00 0.00 57.90 61.72 1ggw n TYR 131 Cb 0.65 -3.10 0.00 0.00 -0.63 0.00 0.00 39.34 36.26 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 -4.42 -0.09 0.07 2.98 8.25 -1.04 -4.58 115.22 116.40 1ggw n HIS 132 Ca -0.19 0.02 0.05 0.00 -0.26 0.00 0.00 57.72 57.34 1ggw n HIS 132 Cb 0.62 0.04 0.48 0.00 1.12 0.00 0.00 29.99 32.25 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 0.00 0.35 0.38 0.41 3.58 -1.89 0.84 116.42 120.10 1ggw h ASP 133 Ca 0.00 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 1ggw h ASP 133 Cb 0.46 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1ggw h ASP 133 CO 0.00 0.26 -0.18 -0.26 -2.88 0.00 0.00 179.24 176.17 1ggw h PHE 134 N 0.41 -0.47 -0.27 0.28 0.04 -1.89 -2.67 116.94 112.37 1ggw h PHE 134 Ca 0.11 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.84 1ggw h PHE 134 Cb -0.04 0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 1ggw h PHE 134 CO 0.00 -0.14 0.05 0.28 -0.60 0.00 0.00 178.31 177.89 1ggw h VAL 135 N -0.92 1.14 0.12 -0.55 2.07 -1.77 0.04 116.25 116.39 1ggw h VAL 135 Ca -0.05 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1ggw h VAL 135 Cb 0.54 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1ggw h VAL 135 CO 0.09 0.18 -0.06 -0.61 0.02 0.00 0.00 177.57 177.19 1ggw h GLN 136 N 0.39 -0.15 -0.01 1.57 4.15 -0.83 -2.26 115.11 117.96 1ggw h GLN 136 Ca 0.09 0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.35 1ggw h GLN 136 Cb 0.19 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 1ggw h GLN 136 CO -0.00 -0.05 -0.77 1.98 -1.93 0.00 0.00 178.83 178.06 1ggw h MET 137 N -0.22 0.12 -0.95 1.69 4.05 -1.32 -3.25 114.93 115.05 1ggw h MET 137 Ca -0.02 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.28 1ggw h MET 137 Cb 0.18 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.96 1ggw h MET 137 CO 0.03 0.84 0.57 0.82 0.23 0.00 0.00 176.91 179.40 1ggw h ILE 138 N 0.08 1.26 -1.02 1.77 2.04 -0.88 -3.20 117.51 117.56 1ggw h ILE 138 Ca -0.02 -0.56 -0.74 0.00 1.00 0.00 0.00 64.86 64.54 1ggw h ILE 138 Cb 1.36 -0.08 -0.11 0.00 -0.74 0.00 0.00 36.82 37.25 1ggw h ILE 138 CO 0.11 0.27 2.52 0.18 0.00 0.00 0.00 178.15 181.23 1ggw n LEU 139 N -4.35 7.65 -2.90 1.44 4.32 -0.86 -4.60 117.00 117.70 1ggw n LEU 139 Ca 0.11 -4.71 -0.13 0.00 -0.02 0.00 0.00 56.01 51.26 1ggw n LEU 139 Cb 0.06 -1.44 0.01 0.00 -1.62 0.00 0.00 43.42 40.43 1ggw n LEU 139 CO 0.38 1.80 0.04 0.00 -1.22 0.00 0.00 177.39 178.39 1ggw n ALA 140 N 2.84 -0.20 -1.00 -1.18 0.00 -1.21 -5.01 120.51 114.76 1ggw n ALA 140 Ca 0.57 -2.01 0.00 0.00 0.00 0.00 0.00 53.44 51.99 1ggw n ALA 140 Cb 0.29 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1ggw n ALA 140 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59