#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zgw n LYS 2 N 0.00 -2.78 -3.88 0.03 4.81 -1.26 -5.04 118.16 110.05 1zgw n LYS 2 Ca 0.00 2.32 -0.11 0.00 -0.87 0.00 0.00 58.31 59.65 1zgw n LYS 2 Cb 0.00 -3.88 -0.12 0.00 0.02 0.00 0.00 35.03 31.06 1zgw n LYS 2 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1zgw s LYS 3 N -1.14 0.28 0.00 1.64 3.01 -1.26 -5.09 119.74 117.18 1zgw s LYS 3 Ca -0.06 -0.19 0.00 0.00 -1.01 0.00 0.00 55.97 54.71 1zgw s LYS 3 Cb 0.00 0.12 0.00 0.00 -1.01 0.00 0.00 37.83 36.94 1zgw s LYS 3 CO 0.53 -0.06 0.00 0.00 0.51 0.00 0.00 175.35 176.34 1zgw n ALA 4 N 2.20 0.00 0.15 5.17 0.00 -1.26 -4.58 120.51 122.19 1zgw n ALA 4 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1zgw n ALA 4 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1zgw n ALA 4 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1zgw n THR 5 N -0.32 0.56 -1.86 0.00 5.66 -1.26 -4.46 114.28 112.60 1zgw n THR 5 Ca 0.00 -0.08 -0.00 0.00 -3.05 0.00 0.00 64.05 60.92 1zgw n THR 5 Cb 0.00 -0.90 0.00 0.00 -1.55 0.00 0.00 70.33 67.88 1zgw n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1zgw n LEU 7 N -1.17 -0.53 -3.52 0.00 -0.00 -1.26 -5.01 117.00 105.50 1zgw n LEU 7 Ca -0.00 -1.45 -0.40 0.00 -0.00 0.00 0.00 56.01 54.16 1zgw n LEU 7 Cb 0.50 0.35 -0.01 0.00 -0.00 0.00 0.00 43.42 44.25 1zgw n LEU 7 CO 0.00 1.13 2.82 0.41 -0.00 0.00 0.00 177.39 181.76 1zgw n THR 8 N -0.37 4.33 0.08 1.96 -1.04 -1.26 -4.60 114.28 113.38 1zgw n THR 8 Ca -0.09 -3.32 0.20 0.00 -2.04 0.00 0.00 64.05 58.80 1zgw n THR 8 Cb 0.56 -2.46 0.75 0.00 -1.82 0.00 0.00 70.33 67.36 1zgw n THR 8 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 1zgw h ASP 9 N 5.25 0.00 -0.32 8.00 2.03 -1.97 0.45 116.42 129.86 1zgw h ASP 9 Ca 0.70 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 57.00 1zgw h ASP 9 Cb 0.42 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.90 1zgw h ASP 9 CO 1.72 0.00 0.21 0.44 -1.03 0.00 0.00 179.24 180.58 1zgw h ASP 10 N 0.00 0.36 0.58 4.15 5.19 -2.00 0.13 116.42 124.85 1zgw h ASP 10 Ca 0.20 -0.01 -0.28 0.00 -0.62 0.00 0.00 57.03 56.31 1zgw h ASP 10 Cb 0.97 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.35 1zgw h ASP 10 CO -0.00 0.27 -1.53 -0.61 -3.12 0.00 0.00 179.24 174.25 1zgw h GLN 11 N 0.43 0.06 -0.98 3.56 5.75 -1.00 -2.50 115.11 120.43 1zgw h GLN 11 Ca 0.12 -0.09 0.17 0.00 -0.15 0.00 0.00 58.65 58.69 1zgw h GLN 11 Cb -0.04 0.04 -0.10 0.00 1.07 0.00 0.00 27.48 28.44 1zgw h GLN 11 CO -0.02 0.76 0.58 0.00 -2.65 0.00 0.00 178.83 177.50 1zgw h ARG 12 N 0.02 0.76 -0.62 1.69 2.47 -0.11 1.47 114.38 120.06 1zgw h ARG 12 Ca -0.22 -0.05 -0.08 0.00 -1.26 0.00 0.00 59.98 58.37 1zgw h ARG 12 Cb 1.96 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 30.08 1zgw h ARG 12 CO 0.10 0.50 0.08 2.35 0.56 0.00 0.00 179.97 183.57 1zgw h TRP 13 N 0.78 1.11 0.00 3.04 -0.00 -0.71 0.43 115.95 120.59 1zgw h TRP 13 Ca 0.55 -0.16 -0.02 0.00 -0.00 0.00 0.00 58.89 59.26 1zgw h TRP 13 Cb 0.79 -0.30 -0.00 0.00 -0.00 0.00 0.00 29.16 29.65 1zgw h TRP 13 CO -0.02 0.95 -0.08 0.37 -0.00 0.00 0.00 178.44 179.67 1zgw h GLN 14 N 0.94 0.00 0.00 2.65 5.75 0.20 0.21 115.11 124.86 1zgw h GLN 14 Ca 0.19 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.52 1zgw h GLN 14 Cb 0.46 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.98 1zgw h GLN 14 CO 0.02 0.08 -0.76 1.03 -2.65 0.00 0.00 178.83 176.54 1zgw h SER 15 N 0.00 0.00 0.95 -0.69 0.87 0.26 0.86 113.55 115.80 1zgw h SER 15 Ca -0.00 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 1zgw h SER 15 Cb 0.13 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 1zgw h SER 15 CO 0.01 0.76 -0.86 0.58 -0.53 0.00 0.00 176.83 176.79 1zgw h VAL 16 N 0.00 1.57 0.02 2.23 2.07 0.26 -1.79 116.25 120.61 1zgw h VAL 16 Ca -0.01 -3.00 -0.30 0.00 0.82 0.00 0.00 66.70 64.21 1zgw h VAL 16 Cb 1.43 2.64 -0.05 0.00 -1.52 0.00 0.00 31.29 33.80 1zgw h VAL 16 CO 0.10 0.84 -1.76 0.18 0.02 0.00 0.00 177.57 176.96 1zgw n LEU 17 N -3.44 1.13 0.08 2.57 4.77 0.46 -3.96 117.00 118.60 1zgw n LEU 17 Ca -0.00 0.38 -0.06 0.00 -0.03 0.00 0.00 56.01 56.31 1zgw n LEU 17 Cb 0.84 -0.02 0.11 0.00 -2.33 0.00 0.00 43.42 42.02 1zgw n LEU 17 CO 0.45 0.46 0.47 0.00 -1.33 0.00 0.00 177.39 177.44 1zgw h ALA 18 N 0.86 0.83 -0.07 -1.18 0.00 -0.86 -3.47 119.26 115.37 1zgw h ALA 18 Ca -0.31 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1zgw h ALA 18 Cb 2.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1zgw h ALA 18 CO 0.08 0.73 0.00 2.89 0.00 0.00 0.00 179.25 182.95 1zgw n ARG 19 N -3.88 0.00 -1.69 0.00 1.85 -0.74 -4.99 116.66 107.22 1zgw n ARG 19 Ca -0.02 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.40 1zgw n ARG 19 Cb 0.62 -1.90 -0.03 0.00 -1.05 0.00 0.00 32.46 30.10 1zgw n ARG 19 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1zgw s ASP 20 N -2.56 5.49 0.00 2.89 2.15 -0.81 -4.68 116.67 119.14 1zgw s ASP 20 Ca 0.00 1.72 0.09 0.00 0.43 0.00 0.00 52.55 54.79 1zgw s ASP 20 Cb 0.00 -2.51 0.54 0.00 -0.30 0.00 0.00 42.92 40.65 1zgw s ASP 20 CO 0.00 -1.96 1.15 -0.81 -0.17 0.00 0.00 175.17 173.38 1zgw n PRO 21 N 8.72 0.75 -0.00 4.34 -0.04 -1.26 -2.17 135.00 145.34 1zgw n PRO 21 Ca 0.29 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.83 1zgw n PRO 21 Cb 0.46 -1.19 -0.10 0.00 -0.04 0.00 0.00 33.50 32.63 1zgw n PRO 21 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1zgw n ASN 22 N -0.69 0.83 -0.21 3.54 5.15 -1.26 -4.09 115.26 118.54 1zgw n ASN 22 Ca 0.07 -0.77 0.05 0.00 -0.60 0.00 0.00 54.58 53.33 1zgw n ASN 22 Cb 0.03 1.12 -0.01 0.00 -0.53 0.00 0.00 39.78 40.39 1zgw n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1zgw n ALA 23 N -1.51 3.00 -2.56 5.20 0.00 -0.92 -4.78 120.51 118.94 1zgw n ALA 23 Ca 0.02 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.61 1zgw n ALA 23 Cb 0.29 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.32 1zgw n ALA 23 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1zgw s ASP 24 N -1.57 7.18 0.00 0.00 2.15 -1.11 -1.80 116.67 121.52 1zgw s ASP 24 Ca 0.08 1.77 0.00 0.00 0.43 0.00 0.00 52.55 54.83 1zgw s ASP 24 Cb 0.09 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1zgw s ASP 24 CO 0.31 -0.44 0.00 0.61 -0.17 0.00 0.00 175.17 175.48 1zgw n GLY 25 N 3.15 3.17 0.12 2.66 0.00 -1.26 0.41 105.19 113.43 1zgw n GLY 25 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1zgw n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1zgw h GLU 26 N 1.45 0.19 -3.95 1.61 4.57 -1.60 -3.45 114.58 113.40 1zgw h GLU 26 Ca 0.00 -0.32 -0.12 0.00 -1.18 0.00 0.00 59.36 57.74 1zgw h GLU 26 Cb 0.00 0.12 -0.11 0.00 -0.16 0.00 0.00 28.75 28.60 1zgw h GLU 26 CO 0.00 1.15 -0.27 -0.59 -1.18 0.00 0.00 179.01 178.13 1zgw s PHE 27 N -2.45 0.63 0.41 0.92 -0.71 -0.94 -4.31 117.98 111.53 1zgw s PHE 27 Ca -0.22 -0.94 0.03 0.00 -1.04 0.00 0.00 56.93 54.76 1zgw s PHE 27 Cb 0.05 -0.04 -0.03 0.00 -1.21 0.00 0.00 43.02 41.78 1zgw s PHE 27 CO 0.73 -0.90 0.09 0.14 -1.34 0.00 0.00 175.22 173.94 1zgw s VAL 28 N -4.01 0.86 -0.05 -2.49 -7.23 -0.12 -4.23 120.40 103.13 1zgw s VAL 28 Ca 0.28 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.44 1zgw s VAL 28 Cb 0.02 -2.43 0.03 0.00 0.56 0.00 0.00 36.38 34.56 1zgw s VAL 28 CO 0.10 0.00 0.02 0.72 -0.31 0.00 0.00 175.10 175.64 1zgw s PHE 29 N -3.16 0.35 -0.32 2.82 -0.12 -1.25 -1.46 117.98 114.85 1zgw s PHE 29 Ca 0.24 0.03 -0.10 0.00 -0.05 0.00 0.00 56.93 57.05 1zgw s PHE 29 Cb 0.04 -0.58 -0.01 0.00 -0.63 0.00 0.00 43.02 41.84 1zgw s PHE 29 CO 0.13 -0.22 0.17 0.00 -0.05 0.00 0.00 175.22 175.25 1zgw s ALA 30 N 1.78 3.34 -0.59 1.99 0.00 0.22 -3.88 121.76 124.62 1zgw s ALA 30 Ca 0.01 -1.37 -0.22 0.00 0.00 0.00 0.00 51.96 50.38 1zgw s ALA 30 Cb -0.13 -2.45 0.06 0.00 0.00 0.00 0.00 23.12 20.61 1zgw s ALA 30 CO -0.03 -0.90 0.87 0.08 0.00 0.00 0.00 175.76 175.78 1zgw s VAL 31 N 1.64 4.49 0.41 0.00 1.01 0.41 -0.47 120.40 127.88 1zgw s VAL 31 Ca 0.05 -0.24 0.39 0.00 0.00 0.00 0.00 61.98 62.18 1zgw s VAL 31 Cb -0.17 -4.55 0.42 0.00 0.00 0.00 0.00 36.38 32.08 1zgw s VAL 31 CO 0.07 -1.20 2.19 0.03 0.00 0.00 0.00 175.10 176.20 1zgw h ARG 32 N 9.35 0.00 0.00 2.72 3.08 0.10 0.39 114.38 130.03 1zgw h ARG 32 Ca -0.28 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.75 1zgw h ARG 32 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 1zgw h ARG 32 CO 1.11 0.00 -0.12 0.00 -1.07 0.00 0.00 179.97 179.89 1zgw h THR 33 N 0.00 0.97 0.00 2.04 1.03 -1.90 -2.98 112.91 112.07 1zgw h THR 33 Ca -0.00 -0.42 0.00 0.00 -0.01 0.00 0.00 66.41 65.98 1zgw h THR 33 Cb 0.24 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.56 1zgw h THR 33 CO 0.00 0.12 0.00 1.07 -0.01 0.00 0.00 175.52 176.70 1zgw n THR 34 N -4.22 0.00 -2.22 0.00 5.66 -0.71 -5.00 114.28 107.79 1zgw n THR 34 Ca -0.03 -0.46 -0.10 0.00 -3.05 0.00 0.00 64.05 60.41 1zgw n THR 34 Cb 0.20 1.03 -0.00 0.00 -1.55 0.00 0.00 70.33 70.00 1zgw n THR 34 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1zgw n GLY 35 N 0.61 -0.03 3.58 1.09 0.00 0.13 -4.87 105.19 105.69 1zgw n GLY 35 Ca 0.00 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 1zgw n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zgw s ILE 36 N -2.53 2.54 0.03 -0.61 1.01 -0.85 0.20 121.20 120.99 1zgw s ILE 36 Ca 0.01 -2.11 -0.10 0.00 0.00 0.00 0.00 60.65 58.45 1zgw s ILE 36 Cb -0.00 -2.68 0.01 0.00 0.01 0.00 0.00 42.46 39.80 1zgw s ILE 36 CO 0.01 -0.24 0.21 0.72 0.00 0.00 0.00 174.94 175.64 1zgw s PHE 37 N -2.53 0.01 0.40 3.97 -0.12 -1.25 0.15 117.98 118.61 1zgw s PHE 37 Ca 0.33 -0.16 0.08 0.00 -0.05 0.00 0.00 56.93 57.13 1zgw s PHE 37 Cb -0.01 -0.00 -0.01 0.00 -0.63 0.00 0.00 43.02 42.37 1zgw s PHE 37 CO 0.18 -0.41 0.46 1.03 -0.05 0.00 0.00 175.22 176.43 1zgw s ARG 39 N -2.22 2.76 0.29 1.99 0.52 -1.26 -3.77 118.95 117.26 1zgw s ARG 39 Ca -0.08 -1.32 0.23 0.00 -0.52 0.00 0.00 55.73 54.04 1zgw s ARG 39 Cb -0.03 -2.61 1.08 0.00 0.52 0.00 0.00 34.95 33.92 1zgw s ARG 39 CO -0.02 -0.16 1.69 -0.35 0.02 0.00 0.00 175.30 176.48 1zgw n PRO 40 N -1.67 0.17 -0.80 3.54 -0.04 -1.26 -2.66 135.00 132.28 1zgw n PRO 40 Ca 0.04 0.53 -0.02 0.00 -0.04 0.00 0.00 63.50 64.01 1zgw n PRO 40 Cb 0.60 -1.92 0.20 0.00 -0.04 0.00 0.00 33.50 32.33 1zgw n PRO 40 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1zgw n SER 41 N -2.26 2.35 -4.66 3.54 3.41 -1.26 -3.38 113.62 111.35 1zgw n SER 41 Ca 0.00 -3.84 -0.46 0.00 -0.26 0.00 0.00 58.87 54.32 1zgw n SER 41 Cb 0.14 -0.60 -0.04 0.00 -0.26 0.00 0.00 64.21 63.45 1zgw n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1zgw n ARG 43 N 3.01 2.53 -0.08 0.00 -4.01 -1.26 -4.60 116.66 112.25 1zgw n ARG 43 Ca 0.16 -2.34 -0.16 0.00 -1.04 0.00 0.00 57.85 54.47 1zgw n ARG 43 Cb 0.29 -1.50 -0.12 0.00 -3.04 0.00 0.00 32.46 28.09 1zgw n ARG 43 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1zgw h ALA 44 N 4.15 0.10 0.00 2.89 0.00 -2.00 -3.50 119.26 120.89 1zgw h ALA 44 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1zgw h ALA 44 Cb 0.95 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1zgw h ALA 44 CO 0.00 0.28 0.00 -2.13 0.00 0.00 0.00 179.25 177.40 1zgw n ARG 45 N -4.55 -0.68 -4.07 0.00 0.63 -1.26 -5.19 116.66 101.54 1zgw n ARG 45 Ca -0.18 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.68 1zgw n ARG 45 Cb 0.53 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.34 1zgw n ARG 45 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1zgw s HIS 46 N -2.00 0.48 0.25 -0.14 3.76 -1.26 -4.99 115.29 111.38 1zgw s HIS 46 Ca 0.00 -1.01 0.12 0.00 -0.15 0.00 0.00 55.06 54.02 1zgw s HIS 46 Cb 0.00 -0.35 -0.05 0.00 1.11 0.00 0.00 32.58 33.29 1zgw s HIS 46 CO 0.00 -0.39 -0.21 0.00 -0.85 0.00 0.00 174.74 173.29 1zgw s ALA 47 N -3.83 2.63 0.88 -1.40 0.00 -1.26 -5.11 121.76 113.67 1zgw s ALA 47 Ca 0.06 -1.79 -0.13 0.00 0.00 0.00 0.00 51.96 50.10 1zgw s ALA 47 Cb 0.07 -0.27 0.05 0.00 0.00 0.00 0.00 23.12 22.97 1zgw s ALA 47 CO -0.10 0.31 0.69 1.28 0.00 0.00 0.00 175.76 177.94 1zgw n LEU 48 N -0.33 1.36 0.24 0.00 4.77 -1.26 -4.83 117.00 116.95 1zgw n LEU 48 Ca -0.08 0.43 0.07 0.00 -0.03 0.00 0.00 56.01 56.41 1zgw n LEU 48 Cb 0.59 -1.31 0.61 0.00 -2.33 0.00 0.00 43.42 40.98 1zgw n LEU 48 CO 0.35 -2.96 1.05 -0.09 -1.33 0.00 0.00 177.39 174.40 1zgw h ARG 49 N -1.31 0.03 -0.81 3.23 1.12 -2.00 -3.11 114.38 111.54 1zgw h ARG 49 Ca -0.44 -0.00 0.07 0.00 -1.11 0.00 0.00 59.98 58.50 1zgw h ARG 49 Cb 1.29 -0.01 -0.10 0.00 -0.01 0.00 0.00 29.97 31.15 1zgw h ARG 49 CO 0.39 0.05 -0.48 -1.91 -3.11 0.00 0.00 179.97 174.91 1zgw n GLU 50 N -4.50 -0.36 -0.44 0.20 0.00 -1.26 0.12 120.64 114.40 1zgw n GLU 50 Ca -0.03 1.36 0.05 0.00 0.00 0.00 0.00 57.16 58.55 1zgw n GLU 50 Cb 0.11 -2.01 0.22 0.00 0.00 0.00 0.00 31.44 29.77 1zgw n GLU 50 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1zgw n ASN 51 N -4.85 3.38 -4.44 4.31 3.02 -1.18 -4.85 115.26 110.65 1zgw n ASN 51 Ca 0.02 -2.40 -0.33 0.00 -0.03 0.00 0.00 54.58 51.84 1zgw n ASN 51 Cb 0.21 -0.52 -0.13 0.00 -0.61 0.00 0.00 39.78 38.72 1zgw n ASN 51 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1zgw s VAL 52 N -1.87 3.33 0.40 2.41 1.01 0.33 0.14 120.40 126.16 1zgw s VAL 52 Ca 0.31 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1zgw s VAL 52 Cb 0.22 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1zgw s VAL 52 CO 0.12 0.53 0.08 -0.94 0.00 0.00 0.00 175.10 174.89 1zgw s SER 53 N 0.09 2.95 0.10 3.32 1.04 0.38 -4.85 113.70 116.74 1zgw s SER 53 Ca -0.04 -1.57 0.08 0.00 0.48 0.00 0.00 55.95 54.90 1zgw s SER 53 Cb -0.14 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 1zgw s SER 53 CO 0.04 -0.80 -0.20 -0.36 0.98 0.00 0.00 173.24 172.90 1zgw s PHE 54 N -3.15 1.76 0.13 5.02 0.08 -1.26 0.73 117.98 121.29 1zgw s PHE 54 Ca 0.25 -0.42 0.06 0.00 0.12 0.00 0.00 56.93 56.93 1zgw s PHE 54 Cb 0.05 -0.96 -0.04 0.00 -0.57 0.00 0.00 43.02 41.49 1zgw s PHE 54 CO 0.13 0.20 -0.14 0.71 -0.10 0.00 0.00 175.22 176.03 1zgw s TYR 55 N -1.21 1.40 0.17 0.36 2.02 -0.54 -4.89 117.35 114.66 1zgw s TYR 55 Ca 0.06 -0.57 -0.10 0.00 -0.37 0.00 0.00 57.07 56.10 1zgw s TYR 55 Cb -0.10 -0.73 0.02 0.00 -0.40 0.00 0.00 41.96 40.76 1zgw s TYR 55 CO 0.04 0.15 1.56 0.00 -1.57 0.00 0.00 175.55 175.73 1zgw h ALA 56 N 3.44 0.71 -2.41 3.71 0.00 -1.90 -0.29 119.26 122.52 1zgw h ALA 56 Ca -0.40 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 53.95 1zgw h ALA 56 Cb 1.20 -0.17 -0.15 0.00 0.00 0.00 0.00 17.79 18.66 1zgw h ALA 56 CO 0.52 0.68 -0.65 0.54 0.00 0.00 0.00 179.25 180.33 1zgw s ASN 57 N -6.71 0.33 0.55 0.00 2.20 -1.26 -3.51 114.94 106.53 1zgw s ASN 57 Ca -0.11 -1.19 0.29 0.00 -0.94 0.00 0.00 52.86 50.91 1zgw s ASN 57 Cb 0.12 0.29 1.60 0.00 -2.00 0.00 0.00 41.25 41.26 1zgw s ASN 57 CO 0.87 -0.71 2.14 0.00 -2.94 0.00 0.00 177.10 176.45 1zgw h ALA 58 N 2.90 1.35 -0.19 3.54 0.00 -1.92 -1.83 119.26 123.10 1zgw h ALA 58 Ca -0.35 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.32 1zgw h ALA 58 Cb 1.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1zgw h ALA 58 CO 0.60 0.10 -0.57 1.03 0.00 0.00 0.00 179.25 180.41 1zgw h SER 59 N 0.00 0.66 -0.16 0.00 0.87 -1.96 0.67 113.55 113.63 1zgw h SER 59 Ca -0.00 -0.36 -0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1zgw h SER 59 Cb 0.22 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1zgw h SER 59 CO 0.01 1.09 0.09 -0.08 -0.53 0.00 0.00 176.83 177.41 1zgw h GLU 60 N 0.45 0.21 -0.51 2.24 4.57 -1.75 1.29 114.58 121.08 1zgw h GLU 60 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1zgw h GLU 60 Cb 1.12 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.64 1zgw h GLU 60 CO 0.11 0.19 0.34 0.00 -1.18 0.00 0.00 179.01 178.46 1zgw h ALA 61 N 1.01 0.64 0.00 2.92 0.00 -1.23 0.26 119.26 122.87 1zgw h ALA 61 Ca 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1zgw h ALA 61 Cb 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1zgw h ALA 61 CO -0.01 0.09 -0.01 -0.07 0.00 0.00 0.00 179.25 179.25 1zgw h LEU 62 N 0.69 0.00 0.00 0.00 3.38 0.14 0.21 115.31 119.73 1zgw h LEU 62 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1zgw h LEU 62 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1zgw h LEU 62 CO -0.04 0.01 -0.00 0.00 0.09 0.00 0.00 178.44 178.50 1zgw h ALA 63 N 1.99 1.00 0.00 1.53 0.00 0.49 -3.12 119.26 121.15 1zgw h ALA 63 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1zgw h ALA 63 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1zgw h ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1zgw n ALA 64 N -1.94 2.59 -1.94 0.00 0.00 0.75 -4.85 120.51 115.13 1zgw n ALA 64 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1zgw n ALA 64 Cb 0.48 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1zgw n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1zgw n GLY 65 N 0.83 0.94 3.62 0.00 0.00 -1.18 -5.08 105.19 104.33 1zgw n GLY 65 Ca 0.22 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 1zgw n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1zgw s PHE 66 N -2.70 2.65 -0.35 1.61 0.40 -1.22 -4.98 117.98 113.39 1zgw s PHE 66 Ca 0.00 -0.23 -0.13 0.00 -0.60 0.00 0.00 56.93 55.97 1zgw s PHE 66 Cb 0.00 -1.18 -0.01 0.00 0.51 0.00 0.00 43.02 42.34 1zgw s PHE 66 CO 0.00 0.63 0.25 1.03 0.70 0.00 0.00 175.22 177.82 1zgw s ARG 67 N -3.62 3.44 0.32 0.44 1.81 0.13 -4.67 118.95 116.80 1zgw s ARG 67 Ca 0.31 -0.68 -0.29 0.00 -1.72 0.00 0.00 55.73 53.34 1zgw s ARG 67 Cb -0.06 -3.82 -0.11 0.00 -0.45 0.00 0.00 34.95 30.50 1zgw s ARG 67 CO 0.19 -0.48 1.56 -1.25 -0.68 0.00 0.00 175.30 174.65 1zgw s PRO 68 N 1.72 4.11 0.05 3.54 0.04 -1.26 -3.85 135.00 139.35 1zgw s PRO 68 Ca 0.06 2.58 -0.32 0.00 0.04 0.00 0.00 61.00 63.36 1zgw s PRO 68 Cb -0.18 -3.00 -0.11 0.00 0.04 0.00 0.00 34.50 31.25 1zgw s PRO 68 CO 0.10 -0.60 1.83 0.00 0.04 0.00 0.00 177.00 178.37 1zgw n LYS 70 N 5.89 0.00 -0.03 0.00 4.81 -1.26 0.41 118.16 127.98 1zgw n LYS 70 Ca 0.20 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.60 1zgw n LYS 70 Cb 0.34 -1.47 -0.04 0.00 0.02 0.00 0.00 35.03 33.88 1zgw n LYS 70 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1zgw n ARG 71 N -0.88 1.52 0.10 1.64 0.63 -1.26 -4.41 116.66 113.99 1zgw n ARG 71 Ca 0.00 0.02 0.10 0.00 -0.92 0.00 0.00 57.85 57.05 1zgw n ARG 71 Cb 0.00 -1.14 -0.01 0.00 0.45 0.00 0.00 32.46 31.76 1zgw n ARG 71 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1zgw h GLN 73 N 0.00 0.28 -0.09 0.00 -0.00 -0.30 -3.36 115.11 111.63 1zgw h GLN 73 Ca -0.02 -0.47 -0.23 0.00 -0.00 0.00 0.00 58.65 57.93 1zgw h GLN 73 Cb 1.07 0.17 0.01 0.00 0.00 0.00 0.00 27.48 28.73 1zgw h GLN 73 CO 0.01 1.22 -0.86 -1.00 0.00 0.00 0.00 178.83 178.20 1zgw h PRO 74 N -0.42 0.71 -7.63 -2.39 0.13 -1.76 -3.45 132.00 117.18 1zgw h PRO 74 Ca -0.13 -0.64 -0.43 0.00 -0.87 0.00 0.00 66.00 63.94 1zgw h PRO 74 Cb 1.58 0.15 0.18 0.00 0.13 0.00 0.00 31.00 33.04 1zgw h PRO 74 CO 0.14 1.24 0.29 0.16 -0.23 0.00 0.00 178.00 179.60 1zgw s ASP 75 N -7.15 2.04 -0.05 1.44 1.47 -1.22 -5.06 116.67 108.15 1zgw s ASP 75 Ca -0.09 0.42 0.04 0.00 1.18 0.00 0.00 52.55 54.09 1zgw s ASP 75 Cb 0.08 -0.55 -0.03 0.00 -0.34 0.00 0.00 42.92 42.09 1zgw s ASP 75 CO 0.90 -3.41 -0.14 -0.54 0.68 0.00 0.00 175.17 172.66 1zgw s LYS 76 N -5.68 2.52 0.00 2.11 -0.14 -1.26 -4.93 119.74 112.36 1zgw s LYS 76 Ca 0.73 -0.69 0.00 0.00 -1.36 0.00 0.00 55.97 54.64 1zgw s LYS 76 Cb -0.06 -2.38 0.00 0.00 -1.68 0.00 0.00 37.83 33.70 1zgw s LYS 76 CO 0.54 0.62 0.00 0.00 -0.76 0.00 0.00 175.35 175.75 1zgw n ALA 77 N 2.32 0.00 0.14 5.17 0.00 -1.26 -3.23 120.51 123.65 1zgw n ALA 77 Ca -0.17 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.39 1zgw n ALA 77 Cb 0.52 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.60 1zgw n ALA 77 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1zgw h ASN 78 N 0.00 0.06 0.03 0.00 -0.26 0.77 1.53 115.58 117.72 1zgw h ASN 78 Ca 0.00 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1zgw h ASN 78 Cb 0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.25 1zgw h ASN 78 CO 0.00 0.04 0.00 1.55 -1.06 0.00 0.00 177.43 177.96 1zgw h PRO 79 N 0.07 0.00 0.10 0.81 0.13 -1.82 -2.68 132.00 128.62 1zgw h PRO 79 Ca 0.11 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.25 1zgw h PRO 79 Cb 0.35 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.44 1zgw h PRO 79 CO -0.01 0.00 -0.47 -0.09 -0.23 0.00 0.00 178.00 177.20 1zgw h ARG 80 N 0.00 -0.64 -0.98 0.86 1.12 0.22 0.14 114.38 115.10 1zgw h ARG 80 Ca 0.00 0.04 0.25 0.00 -1.11 0.00 0.00 59.98 59.16 1zgw h ARG 80 Cb 0.02 0.15 -0.07 0.00 -0.01 0.00 0.00 29.97 30.05 1zgw h ARG 80 CO 0.00 -0.43 0.65 1.96 -3.11 0.00 0.00 179.97 179.05 1zgw h GLN 81 N -0.66 0.30 -0.39 0.20 7.50 -1.63 0.40 115.11 120.83 1zgw h GLN 81 Ca -0.00 -0.02 -0.13 0.00 0.50 0.00 0.00 58.65 59.00 1zgw h GLN 81 Cb 0.67 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 28.12 1zgw h GLN 81 CO -0.26 0.20 -0.27 1.25 -1.50 0.00 0.00 178.83 178.25 1zgw h HIS 82 N 0.31 1.01 0.00 2.96 2.76 -1.15 -0.60 115.15 120.45 1zgw h HIS 82 Ca 0.52 -0.28 -0.05 0.00 -2.20 0.00 0.00 60.37 58.36 1zgw h HIS 82 Cb 1.46 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 30.19 1zgw h HIS 82 CO -0.00 1.07 -0.23 -0.09 -1.30 0.00 0.00 177.93 177.38 1zgw h ARG 83 N 0.67 0.00 0.00 5.26 2.43 0.60 -1.40 114.38 121.94 1zgw h ARG 83 Ca 0.08 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.06 1zgw h ARG 83 Cb 0.84 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.37 1zgw h ARG 83 CO 0.07 0.23 -0.87 1.25 -1.51 0.00 0.00 179.97 179.14 1zgw h LEU 84 N 0.00 0.00 -1.12 3.80 5.85 -0.72 -2.65 115.31 120.47 1zgw h LEU 84 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1zgw h LEU 84 Cb 0.57 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1zgw h LEU 84 CO 0.03 0.87 0.35 0.44 -0.34 0.00 0.00 178.44 179.79 1zgw h ASP 85 N 0.00 0.87 0.06 1.25 5.19 -0.03 -2.08 116.42 121.67 1zgw h ASP 85 Ca -0.01 -0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.34 1zgw h ASP 85 Cb 1.55 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 40.81 1zgw h ASP 85 CO 0.11 0.72 -0.18 0.50 -3.12 0.00 0.00 179.24 177.27 1zgw h LYS 86 N 0.97 -0.31 -0.74 3.56 3.64 -1.08 -2.29 116.57 120.31 1zgw h LYS 86 Ca 0.24 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.75 1zgw h LYS 86 Cb 0.06 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 31.87 1zgw h LYS 86 CO -0.04 -0.21 0.36 0.82 -2.27 0.00 0.00 179.45 178.11 1zgw h ILE 87 N -0.32 0.79 -0.91 2.00 1.08 -1.19 0.12 117.51 119.09 1zgw h ILE 87 Ca 0.04 -0.20 0.15 0.00 -0.39 0.00 0.00 64.86 64.46 1zgw h ILE 87 Cb 0.36 0.17 -0.09 0.00 -3.07 0.00 0.00 36.82 34.19 1zgw h ILE 87 CO -0.13 0.11 0.51 0.74 -0.69 0.00 0.00 178.15 178.68 1zgw h THR 88 N 0.58 0.76 -0.94 -0.27 2.02 -0.88 1.32 112.91 115.50 1zgw h THR 88 Ca 0.38 -0.25 0.07 0.00 0.77 0.00 0.00 66.41 67.38 1zgw h THR 88 Cb 0.46 -0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 66.78 1zgw h THR 88 CO -0.31 0.13 0.61 -0.74 0.37 0.00 0.00 175.52 175.58 1zgw h HIS 89 N 0.72 1.09 -0.70 3.16 6.17 -0.31 0.76 115.15 126.05 1zgw h HIS 89 Ca 0.49 0.03 0.14 0.00 0.71 0.00 0.00 60.37 61.73 1zgw h HIS 89 Cb 0.66 -0.36 -0.04 0.00 2.52 0.00 0.00 27.41 30.19 1zgw h HIS 89 CO -0.06 0.56 0.47 0.00 0.71 0.00 0.00 177.93 179.61 1zgw h ALA 90 N 1.50 2.12 0.46 5.26 0.00 0.23 0.23 119.26 129.06 1zgw h ALA 90 Ca 0.41 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 1zgw h ALA 90 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1zgw h ALA 90 CO -0.16 -0.30 -0.22 0.00 0.00 0.00 0.00 179.25 178.57 1zgw h ARG 92 N -0.71 -0.47 -0.82 0.00 9.65 -0.45 -0.89 114.38 120.69 1zgw h ARG 92 Ca -0.06 0.03 0.11 0.00 -1.10 0.00 0.00 59.98 58.96 1zgw h ARG 92 Cb 0.52 0.11 -0.06 0.00 -1.39 0.00 0.00 29.97 29.15 1zgw h ARG 92 CO 0.10 -0.31 0.53 -0.07 2.80 0.00 0.00 179.97 183.03 1zgw h LEU 93 N -0.48 0.64 -0.13 3.80 -0.00 -1.22 2.62 115.31 120.53 1zgw h LEU 93 Ca 0.08 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1zgw h LEU 93 Cb 0.64 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 1zgw h LEU 93 CO -0.46 0.36 0.00 0.18 -0.00 0.00 0.00 178.44 178.52 1zgw n LEU 94 N -4.52 0.11 0.00 1.67 4.32 -0.37 -2.88 117.00 115.33 1zgw n LEU 94 Ca 0.15 0.53 0.00 0.00 -0.02 0.00 0.00 56.01 56.67 1zgw n LEU 94 Cb 0.38 -0.52 0.00 0.00 -1.62 0.00 0.00 43.42 41.67 1zgw n LEU 94 CO 0.31 -0.33 0.04 1.21 -1.22 0.00 0.00 177.39 177.40 1zgw n GLU 95 N -1.63 0.42 0.04 3.23 4.07 -0.15 -4.80 120.64 121.82 1zgw n GLU 95 Ca 0.03 -0.07 -0.21 0.00 -0.06 0.00 0.00 57.16 56.84 1zgw n GLU 95 Cb 0.16 -0.43 -0.14 0.00 -0.06 0.00 0.00 31.44 30.97 1zgw n GLU 95 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1zgw h GLN 96 N 0.00 0.30 0.00 5.31 4.15 0.46 -3.47 115.11 121.87 1zgw h GLN 96 Ca 0.00 -0.52 0.00 0.00 0.77 0.00 0.00 58.65 58.90 1zgw h GLN 96 Cb 0.25 0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.13 1zgw h GLN 96 CO 0.00 1.25 0.00 -0.85 -1.93 0.00 0.00 178.83 177.30 1zgw n GLU 97 N -3.95 2.45 0.00 1.69 0.28 -1.15 -5.03 120.64 114.94 1zgw n GLU 97 Ca -0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.79 1zgw n GLU 97 Cb 0.91 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.78 1zgw n GLU 97 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1zgw n THR 98 N 0.00 0.00 -2.06 3.84 -1.04 -1.26 -4.97 114.28 108.78 1zgw n THR 98 Ca 0.00 0.32 -0.40 0.00 -2.04 0.00 0.00 64.05 61.92 1zgw n THR 98 Cb 0.00 -1.30 -0.01 0.00 -1.82 0.00 0.00 70.33 67.20 1zgw n THR 98 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1zgw s PRO 99 N -0.86 4.23 0.19 -2.82 0.04 -1.26 -4.96 135.00 129.56 1zgw s PRO 99 Ca 0.00 2.25 -0.30 0.00 0.04 0.00 0.00 61.00 62.99 1zgw s PRO 99 Cb 0.00 -2.98 -0.08 0.00 0.04 0.00 0.00 34.50 31.48 1zgw s PRO 99 CO 0.00 -0.30 1.01 0.08 0.04 0.00 0.00 177.00 177.83 1zgw s VAL 100 N -1.17 4.05 -0.29 -0.36 1.01 -1.26 -4.97 120.40 117.41 1zgw s VAL 100 Ca 0.51 1.87 -0.02 0.00 0.00 0.00 0.00 61.98 64.34 1zgw s VAL 100 Cb -0.40 -4.19 0.05 0.00 0.00 0.00 0.00 36.38 31.83 1zgw s VAL 100 CO 0.53 0.37 -0.01 0.42 0.00 0.00 0.00 175.10 176.41 1zgw s THR 101 N -0.58 2.96 0.00 3.92 -4.23 -1.26 -4.85 115.64 111.59 1zgw s THR 101 Ca 0.46 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 1zgw s THR 101 Cb -0.27 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 70.90 1zgw s THR 101 CO 0.33 -0.05 0.00 0.18 -0.54 0.00 0.00 174.62 174.54 1zgw n LEU 102 N 4.63 0.49 -0.34 4.79 4.32 -1.26 -4.74 117.00 124.89 1zgw n LEU 102 Ca -0.14 0.00 0.17 0.00 -0.02 0.00 0.00 56.01 56.02 1zgw n LEU 102 Cb 0.44 0.00 0.33 0.00 -1.62 0.00 0.00 43.42 42.57 1zgw n LEU 102 CO 0.26 0.08 0.85 -0.08 -1.22 0.00 0.00 177.39 177.28 1zgw h GLU 103 N 0.00 0.02 -0.40 3.23 4.57 -1.97 0.87 114.58 120.90 1zgw h GLU 103 Ca 0.00 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1zgw h GLU 103 Cb 0.67 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.23 1zgw h GLU 103 CO 0.00 0.01 0.13 0.00 -1.18 0.00 0.00 179.01 177.98 1zgw h ALA 104 N 1.97 0.53 0.29 2.92 0.00 -1.99 0.07 119.26 123.05 1zgw h ALA 104 Ca 0.63 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 1zgw h ALA 104 Cb 1.36 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1zgw h ALA 104 CO -0.88 0.17 -0.14 1.25 0.00 0.00 0.00 179.25 179.65 1zgw h LEU 105 N 0.51 -0.33 -0.57 0.00 7.12 0.13 -1.62 115.31 120.55 1zgw h LEU 105 Ca 0.13 -0.13 0.10 0.00 0.13 0.00 0.00 57.88 58.11 1zgw h LEU 105 Cb 0.25 0.08 -0.08 0.00 -0.53 0.00 0.00 40.66 40.39 1zgw h LEU 105 CO -0.01 -0.05 0.15 0.00 -0.13 0.00 0.00 178.44 178.40 1zgw h ALA 106 N 0.04 0.69 -0.18 1.25 0.00 0.30 -1.05 119.26 120.31 1zgw h ALA 106 Ca -0.04 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1zgw h ALA 106 Cb 0.43 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1zgw h ALA 106 CO 0.06 -0.27 -0.26 -0.44 0.00 0.00 0.00 179.25 178.35 1zgw h ASP 107 N 0.30 0.34 0.45 0.00 3.32 -0.92 0.41 116.42 120.31 1zgw h ASP 107 Ca 0.29 -0.11 -0.17 0.00 0.02 0.00 0.00 57.03 57.07 1zgw h ASP 107 Cb 0.40 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1zgw h ASP 107 CO -0.35 0.60 -0.73 -0.61 -1.72 0.00 0.00 179.24 176.43 1zgw h GLN 108 N 0.30 0.23 0.00 3.56 -0.00 -0.24 -3.27 115.11 115.70 1zgw h GLN 108 Ca 0.05 -0.20 0.00 0.00 -0.00 0.00 0.00 58.65 58.50 1zgw h GLN 108 Cb 0.62 0.04 0.00 0.00 0.00 0.00 0.00 27.48 28.14 1zgw h GLN 108 CO 0.04 0.86 -1.30 0.28 0.00 0.00 0.00 178.83 178.71 1zgw n VAL 109 N -3.78 0.01 -2.14 2.39 0.31 -0.51 -4.98 118.33 109.64 1zgw n VAL 109 Ca -0.03 -0.17 -0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1zgw n VAL 109 Cb 0.70 0.64 0.00 0.00 -0.91 0.00 0.00 33.84 34.27 1zgw n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1zgw n ALA 110 N -1.75 -0.01 -2.19 3.52 0.00 0.13 -5.06 120.51 115.15 1zgw n ALA 110 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 1zgw n ALA 110 Cb 0.41 -0.54 -0.10 0.00 0.00 0.00 0.00 19.45 19.22 1zgw n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1zgw s MET 111 N -4.28 0.58 0.96 0.00 0.23 -0.46 -5.02 119.30 111.32 1zgw s MET 111 Ca 0.00 -1.16 -0.13 0.00 -1.03 0.00 0.00 55.69 53.37 1zgw s MET 111 Cb -0.00 0.19 0.17 0.00 -1.53 0.00 0.00 34.83 33.65 1zgw s MET 111 CO 0.00 -0.10 1.13 -1.54 -2.03 0.00 0.00 175.02 172.48 1zgw s SER 112 N -2.77 3.01 0.30 -1.18 1.04 -1.26 -4.12 113.70 108.72 1zgw s SER 112 Ca 0.05 0.97 -0.02 0.00 0.48 0.00 0.00 55.95 57.43 1zgw s SER 112 Cb 0.06 -1.53 0.44 0.00 0.10 0.00 0.00 66.02 65.09 1zgw s SER 112 CO -0.09 -2.87 1.96 1.55 0.98 0.00 0.00 173.24 174.77 1zgw h PRO 113 N -1.71 1.10 -0.21 4.02 0.13 -1.96 -0.34 132.00 133.02 1zgw h PRO 113 Ca -0.51 -0.07 -0.12 0.00 -0.87 0.00 0.00 66.00 64.43 1zgw h PRO 113 Cb 1.33 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1zgw h PRO 113 CO 0.58 0.73 -0.38 0.74 -0.23 0.00 0.00 178.00 179.44 1zgw h PHE 114 N 1.13 0.54 0.00 1.56 0.04 -2.00 -2.23 116.94 115.98 1zgw h PHE 114 Ca 0.32 -0.15 -0.08 0.00 2.80 0.00 0.00 57.97 60.87 1zgw h PHE 114 Cb -0.09 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 37.93 1zgw h PHE 114 CO -0.00 0.78 -0.37 1.25 -0.60 0.00 0.00 178.31 179.37 1zgw h HIS 115 N 0.39 0.00 -0.32 -0.55 2.76 -1.56 -1.42 115.15 114.45 1zgw h HIS 115 Ca 0.04 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1zgw h HIS 115 Cb 0.84 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.79 1zgw h HIS 115 CO 0.03 0.37 0.19 1.25 -1.30 0.00 0.00 177.93 178.47 1zgw h LEU 116 N 0.00 0.39 -1.18 0.26 7.12 -0.52 0.17 115.31 121.55 1zgw h LEU 116 Ca -0.00 -0.06 -0.02 0.00 0.13 0.00 0.00 57.88 57.92 1zgw h LEU 116 Cb 0.81 -0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 40.81 1zgw h LEU 116 CO 0.05 0.34 0.32 0.45 -0.13 0.00 0.00 178.44 179.47 1zgw h HIS 117 N 0.41 0.88 -0.27 1.25 3.86 -1.08 -0.04 115.15 120.16 1zgw h HIS 117 Ca 0.12 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 1zgw h HIS 117 Cb 0.03 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.20 1zgw h HIS 117 CO -0.04 0.64 0.00 -0.09 0.86 0.00 0.00 177.93 179.30 1zgw h ARG 118 N 0.89 0.40 0.19 2.45 9.65 -0.09 -1.84 114.38 126.03 1zgw h ARG 118 Ca 0.22 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 59.02 1zgw h ARG 118 Cb 0.07 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 1zgw h ARG 118 CO -0.03 0.43 -0.09 1.25 2.80 0.00 0.00 179.97 184.33 1zgw h LEU 119 N 0.39 -0.21 -1.00 3.80 6.46 0.91 -0.65 115.31 125.01 1zgw h LEU 119 Ca 0.09 -0.30 0.22 0.00 -0.12 0.00 0.00 57.88 57.77 1zgw h LEU 119 Cb 0.26 0.05 -0.12 0.00 -0.73 0.00 0.00 40.66 40.13 1zgw h LEU 119 CO 0.01 0.24 0.59 0.15 -0.62 0.00 0.00 178.44 178.81 1zgw h PHE 120 N -0.72 1.03 -0.16 1.25 3.04 -0.85 0.65 116.94 121.18 1zgw h PHE 120 Ca -0.03 0.04 -0.15 0.00 3.98 0.00 0.00 57.97 61.81 1zgw h PHE 120 Cb 0.50 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.71 1zgw h PHE 120 CO 0.06 0.14 -0.49 -0.22 -2.02 0.00 0.00 178.31 175.77 1zgw h LYS 121 N 0.66 0.61 0.45 1.11 1.63 -1.28 0.25 116.57 120.00 1zgw h LYS 121 Ca 0.61 -0.45 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 1zgw h LYS 121 Cb 1.07 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.77 1zgw h LYS 121 CO -0.44 1.07 -0.30 0.00 -3.45 0.00 0.00 179.45 176.33 1zgw h ALA 122 N 0.55 -0.73 0.54 5.00 0.00 0.61 1.07 119.26 126.30 1zgw h ALA 122 Ca -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1zgw h ALA 122 Cb 1.11 0.38 0.01 0.00 0.00 0.00 0.00 17.79 19.29 1zgw h ALA 122 CO 0.11 -0.93 -0.26 1.15 0.00 0.00 0.00 179.25 179.32 1zgw h THR 123 N -0.72 0.00 -0.83 0.00 2.02 -1.04 -3.11 112.91 109.23 1zgw h THR 123 Ca -0.05 -0.42 0.20 0.00 0.77 0.00 0.00 66.41 66.90 1zgw h THR 123 Cb 0.60 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.96 1zgw h THR 123 CO 0.04 0.00 0.56 0.00 0.37 0.00 0.00 175.52 176.49 1zgw h THR 124 N -1.15 0.69 0.00 3.16 1.03 -1.00 -3.46 112.91 112.17 1zgw h THR 124 Ca -0.07 -0.10 0.00 0.00 -0.01 0.00 0.00 66.41 66.23 1zgw h THR 124 Cb 0.55 0.37 0.00 0.00 -1.07 0.00 0.00 68.15 68.00 1zgw h THR 124 CO 0.12 0.05 0.00 0.61 -0.01 0.00 0.00 175.52 176.29 1zgw n GLY 125 N -1.57 1.71 2.68 2.99 0.00 0.37 -4.96 105.19 106.41 1zgw n GLY 125 Ca 0.17 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 1zgw n GLY 125 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1zgw n MET 126 N 0.00 1.09 -2.71 1.61 0.00 -1.08 -4.80 117.12 111.24 1zgw n MET 126 Ca 0.00 -1.64 -0.03 0.00 0.00 0.00 0.00 57.70 56.03 1zgw n MET 126 Cb 0.00 -0.00 0.03 0.00 0.00 0.00 0.00 33.22 33.24 1zgw n MET 126 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1zgw s THR 127 N 0.17 -0.47 0.00 2.03 2.01 -1.26 -4.98 115.64 113.14 1zgw s THR 127 Ca 0.19 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.73 1zgw s THR 127 Cb 0.36 0.00 0.00 0.00 0.01 0.00 0.00 72.50 72.87 1zgw s THR 127 CO -0.08 0.00 0.00 -0.81 -0.69 0.00 0.00 174.62 173.04 1zgw n PRO 128 N 2.73 0.00 0.33 4.92 -0.04 -1.25 -2.82 135.00 138.87 1zgw n PRO 128 Ca 0.14 0.00 0.21 0.00 -0.04 0.00 0.00 63.50 63.81 1zgw n PRO 128 Cb 0.62 0.00 1.16 0.00 -0.04 0.00 0.00 33.50 35.24 1zgw n PRO 128 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1zgw h LYS 129 N 0.00 0.00 -0.34 0.54 1.63 -1.90 -0.95 116.57 115.55 1zgw h LYS 129 Ca 0.00 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.66 1zgw h LYS 129 Cb 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1zgw h LYS 129 CO 0.00 0.00 -0.34 0.00 -3.45 0.00 0.00 179.45 175.66 1zgw h ALA 130 N 2.00 0.76 -0.52 5.00 0.00 -1.95 -1.83 119.26 122.71 1zgw h ALA 130 Ca -0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1zgw h ALA 130 Cb 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1zgw h ALA 130 CO 0.00 0.65 0.07 2.35 0.00 0.00 0.00 179.25 182.32 1zgw h TRP 131 N 0.63 0.87 -0.95 0.00 -0.00 -1.01 -0.42 115.95 115.07 1zgw h TRP 131 Ca 0.06 -0.10 0.05 0.00 -0.00 0.00 0.00 58.89 58.90 1zgw h TRP 131 Cb 0.88 -0.25 -0.06 0.00 -0.00 0.00 0.00 29.16 29.73 1zgw h TRP 131 CO 0.05 0.77 0.61 0.37 -0.00 0.00 0.00 178.44 180.24 1zgw h GLN 132 N 0.79 1.11 0.10 2.65 4.15 -1.28 0.11 115.11 122.76 1zgw h GLN 132 Ca 0.16 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 1zgw h GLN 132 Cb 0.38 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1zgw h GLN 132 CO 0.01 0.74 -0.05 0.37 -1.93 0.00 0.00 178.83 177.97 1zgw h GLN 133 N 1.15 -0.14 -0.75 1.69 5.75 -0.36 -1.58 115.11 120.87 1zgw h GLN 133 Ca 0.40 0.01 0.11 0.00 -0.15 0.00 0.00 58.65 59.02 1zgw h GLN 133 Cb 0.09 0.03 -0.08 0.00 1.07 0.00 0.00 27.48 28.59 1zgw h GLN 133 CO -0.15 0.07 0.36 0.00 -2.65 0.00 0.00 178.83 176.46 1zgw h ALA 134 N 0.54 1.05 -0.21 3.38 0.00 -0.39 0.15 119.26 123.79 1zgw h ALA 134 Ca -0.01 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1zgw h ALA 134 Cb 0.27 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1zgw h ALA 134 CO 0.02 -0.08 -0.17 -1.49 0.00 0.00 0.00 179.25 177.53 1zgw h TRP 135 N 0.58 -0.44 0.00 0.00 -0.00 -0.51 0.30 115.95 115.88 1zgw h TRP 135 Ca 0.38 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 59.30 1zgw h TRP 135 Cb 0.47 0.23 0.00 0.00 -0.00 0.00 0.00 29.16 29.86 1zgw h TRP 135 CO -0.12 -0.25 0.00 -2.13 -0.00 0.00 0.00 178.44 175.95 1zgw n ARG 136 N -5.33 0.03 -0.03 0.49 0.63 -0.01 -0.44 116.66 112.01 1zgw n ARG 136 Ca -0.01 0.34 -0.20 0.00 -0.92 0.00 0.00 57.85 57.05 1zgw n ARG 136 Cb 0.24 -1.57 -0.13 0.00 0.45 0.00 0.00 32.46 31.44 1zgw n ARG 136 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1zgw n ALA 137 N -1.55 1.05 -0.14 5.13 0.00 0.88 -4.69 120.51 121.19 1zgw n ALA 137 Ca 0.02 -0.74 -0.28 0.00 0.00 0.00 0.00 53.44 52.45 1zgw n ALA 137 Cb 0.14 -0.52 -0.10 0.00 0.00 0.00 0.00 19.45 18.97 1zgw n ALA 137 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1zgw n ARG 138 N -3.41 0.59 0.00 0.00 0.63 -0.11 -5.09 116.66 109.26 1zgw n ARG 138 Ca -0.36 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 1zgw n ARG 138 Cb 1.03 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 32.47 1zgw n ARG 138 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99