#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zgw s LYS 2 N 0.00 1.48 -0.30 0.03 1.02 -1.26 -5.15 119.74 115.56 1zgw s LYS 2 Ca 0.00 -1.78 -0.16 0.00 0.02 0.00 0.00 55.97 54.05 1zgw s LYS 2 Cb 0.00 -0.72 0.16 0.00 -0.52 0.00 0.00 37.83 36.75 1zgw s LYS 2 CO 0.00 -0.14 1.02 0.15 -0.92 0.00 0.00 175.35 175.46 1zgw s LYS 3 N -3.88 0.28 0.00 1.68 1.02 -1.26 -4.77 119.74 112.81 1zgw s LYS 3 Ca 0.32 0.63 0.00 0.00 0.02 0.00 0.00 55.97 56.95 1zgw s LYS 3 Cb 0.07 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.67 1zgw s LYS 3 CO 0.12 -0.08 0.00 0.00 -0.92 0.00 0.00 175.35 174.47 1zgw n ALA 4 N 4.51 0.00 -0.80 5.17 0.00 -1.26 -4.82 120.51 123.31 1zgw n ALA 4 Ca -0.12 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 1zgw n ALA 4 Cb 0.54 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.88 1zgw n ALA 4 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1zgw n THR 5 N 0.00 2.46 -1.54 0.00 -2.24 -1.26 -4.46 114.28 107.24 1zgw n THR 5 Ca 0.00 -1.28 -0.00 0.00 -2.27 0.00 0.00 64.05 60.50 1zgw n THR 5 Cb 0.00 -1.96 0.00 0.00 -2.10 0.00 0.00 70.33 66.27 1zgw n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1zgw n LEU 7 N -1.10 -0.10 -3.63 0.00 0.00 -1.26 -5.03 117.00 105.88 1zgw n LEU 7 Ca -0.00 -0.20 -0.38 0.00 0.00 0.00 0.00 56.01 55.43 1zgw n LEU 7 Cb 0.50 0.01 -0.00 0.00 0.00 0.00 0.00 43.42 43.92 1zgw n LEU 7 CO 0.01 0.60 1.02 0.41 0.00 0.00 0.00 177.39 179.43 1zgw n THR 8 N -0.00 5.06 -0.36 1.96 -1.04 -1.26 -4.79 114.28 113.85 1zgw n THR 8 Ca -0.03 -5.84 0.37 0.00 -2.04 0.00 0.00 64.05 56.51 1zgw n THR 8 Cb 0.29 -1.75 0.76 0.00 -1.82 0.00 0.00 70.33 67.82 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 4.41 0.00 -0.50 8.00 2.03 -1.97 1.17 116.42 129.55 1zgw h ASP 9 Ca 0.34 0.00 0.02 0.00 -0.73 0.00 0.00 57.03 56.66 1zgw h ASP 9 Cb 0.47 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.94 1zgw h ASP 9 CO 1.14 0.00 0.29 0.44 -1.03 0.00 0.00 179.24 180.09 1zgw h ASP 10 N 0.00 0.47 1.22 4.15 3.32 -1.99 0.40 116.42 123.99 1zgw h ASP 10 Ca 0.60 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.50 1zgw h ASP 10 Cb 2.41 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 41.85 1zgw h ASP 10 CO -0.01 0.33 -0.72 -0.61 -1.72 0.00 0.00 179.24 176.51 1zgw h GLN 11 N 0.58 0.00 -0.95 3.56 5.75 0.93 -2.21 115.11 122.77 1zgw h GLN 11 Ca 0.20 0.00 0.09 0.00 -0.15 0.00 0.00 58.65 58.79 1zgw h GLN 11 Cb 0.03 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.50 1zgw h GLN 11 CO -0.10 0.72 0.59 0.00 -2.65 0.00 0.00 178.83 177.40 1zgw h ARG 12 N 0.00 0.98 -0.93 1.69 3.08 0.64 1.87 114.38 121.71 1zgw h ARG 12 Ca -0.01 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1zgw h ARG 12 Cb 1.53 -0.22 -0.05 0.00 0.08 0.00 0.00 29.97 31.31 1zgw h ARG 12 CO 0.09 0.65 0.60 2.35 -1.07 0.00 0.00 179.97 182.59 1zgw h TRP 13 N 1.01 1.19 0.00 3.04 -0.00 0.10 1.11 115.95 122.40 1zgw h TRP 13 Ca 0.44 0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 59.31 1zgw h TRP 13 Cb 0.33 -0.40 -0.01 0.00 -0.00 0.00 0.00 29.16 29.08 1zgw h TRP 13 CO -0.02 0.77 -0.21 0.37 -0.00 0.00 0.00 178.44 179.35 1zgw h GLN 14 N 1.27 0.00 -0.04 2.65 4.15 0.22 0.19 115.11 123.55 1zgw h GLN 14 Ca 0.34 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.62 1zgw h GLN 14 Cb -0.11 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1zgw h GLN 14 CO -0.07 0.21 -0.59 1.03 -1.93 0.00 0.00 178.83 177.47 1zgw h SER 15 N 0.00 0.14 0.11 -0.69 0.87 0.72 0.34 113.55 115.04 1zgw h SER 15 Ca -0.00 -0.08 -0.24 0.00 -1.23 0.00 0.00 61.79 60.24 1zgw h SER 15 Cb 0.37 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1zgw h SER 15 CO 0.03 0.70 -0.94 0.58 -0.53 0.00 0.00 176.83 176.66 1zgw h VAL 16 N 0.09 1.33 0.07 2.23 2.07 0.35 -0.06 116.25 122.33 1zgw h VAL 16 Ca -0.01 -2.26 -0.28 0.00 0.82 0.00 0.00 66.70 64.98 1zgw h VAL 16 Cb 1.07 2.30 -0.02 0.00 -1.52 0.00 0.00 31.29 33.12 1zgw h VAL 16 CO 0.08 0.69 -1.40 -0.07 0.02 0.00 0.00 177.57 176.89 1zgw h LEU 17 N 0.36 0.22 -0.19 2.57 3.38 -0.72 -3.27 115.31 117.65 1zgw h LEU 17 Ca -0.09 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1zgw h LEU 17 Cb 1.57 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1zgw h LEU 17 CO 0.18 1.25 0.00 0.00 0.09 0.00 0.00 178.44 179.96 1zgw h ALA 18 N 0.72 1.00 -3.96 1.53 0.00 -0.36 -3.47 119.26 114.72 1zgw h ALA 18 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.48 1zgw h ALA 18 Cb 1.95 0.00 0.08 0.00 0.00 0.00 0.00 17.79 19.82 1zgw h ALA 18 CO 0.14 0.00 -0.42 2.89 0.00 0.00 0.00 179.25 181.86 1zgw n ARG 19 N -2.60 -4.88 -1.75 0.00 1.85 -0.17 -4.90 116.66 104.22 1zgw n ARG 19 Ca 0.04 0.51 -0.43 0.00 -1.00 0.00 0.00 57.85 56.98 1zgw n ARG 19 Cb 0.43 -4.60 -0.03 0.00 -1.05 0.00 0.00 32.46 27.21 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 -3.18 5.56 0.00 2.89 2.15 -0.44 -4.67 116.67 118.97 1zgw s ASP 20 Ca 0.36 1.63 0.06 0.00 0.43 0.00 0.00 52.55 55.02 1zgw s ASP 20 Cb -0.16 -2.52 0.33 0.00 -0.30 0.00 0.00 42.92 40.28 1zgw s ASP 20 CO 0.44 -1.92 0.78 -0.81 -0.17 0.00 0.00 175.17 173.49 1zgw n PRO 21 N 8.66 0.47 -0.00 4.34 -0.04 -1.26 -1.58 135.00 145.59 1zgw n PRO 21 Ca 0.28 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.81 1zgw n PRO 21 Cb 0.46 -1.19 -0.09 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.81 -0.20 3.54 5.15 -1.26 -4.17 115.26 118.44 1zgw n ASN 22 Ca 0.04 -0.77 0.06 0.00 -0.60 0.00 0.00 54.58 53.31 1zgw n ASN 22 Cb 0.02 1.09 -0.02 0.00 -0.53 0.00 0.00 39.78 40.35 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 -1.46 3.03 -2.67 5.20 0.00 -0.61 -4.79 120.51 119.20 1zgw n ALA 23 Ca 0.02 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 1zgw n ALA 23 Cb 0.27 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 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 -1.61 7.31 0.00 0.00 2.15 -1.11 -2.17 116.67 121.24 1zgw s ASP 24 Ca 0.08 1.69 0.00 0.00 0.43 0.00 0.00 52.55 54.75 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 0.32 -0.31 0.00 0.61 -0.17 0.00 0.00 175.17 175.62 1zgw n GLY 25 N 2.97 3.12 0.09 2.66 0.00 -1.26 0.31 105.19 113.08 1zgw n GLY 25 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 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 1.22 0.00 -4.45 1.61 4.22 -1.70 -3.45 114.58 112.02 1zgw h GLU 26 Ca 0.00 0.00 -0.22 0.00 0.08 0.00 0.00 59.36 59.22 1zgw h GLU 26 Cb 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 1zgw h GLU 26 CO 0.00 0.89 -0.54 -0.59 -2.18 0.00 0.00 179.01 176.59 1zgw s PHE 27 N -2.26 1.05 0.42 0.92 -0.71 -1.01 -4.36 117.98 112.04 1zgw s PHE 27 Ca -0.23 -1.29 0.03 0.00 -1.04 0.00 0.00 56.93 54.40 1zgw s PHE 27 Cb 0.02 -0.45 -0.03 0.00 -1.21 0.00 0.00 43.02 41.35 1zgw s PHE 27 CO 0.58 -0.70 0.07 0.14 -1.34 0.00 0.00 175.22 173.96 1zgw s VAL 28 N -4.11 0.99 -0.05 -2.49 -7.23 -0.14 -4.14 120.40 103.23 1zgw s VAL 28 Ca 0.37 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.52 1zgw s VAL 28 Cb 0.06 -2.43 0.03 0.00 0.56 0.00 0.00 36.38 34.59 1zgw s VAL 28 CO 0.12 0.00 0.04 0.72 -0.31 0.00 0.00 175.10 175.67 1zgw s PHE 29 N -3.08 0.30 -0.37 2.82 -0.12 -1.25 -1.43 117.98 114.84 1zgw s PHE 29 Ca 0.22 0.09 -0.17 0.00 -0.05 0.00 0.00 56.93 57.02 1zgw s PHE 29 Cb 0.04 -0.61 -0.00 0.00 -0.63 0.00 0.00 43.02 41.82 1zgw s PHE 29 CO 0.12 -0.25 0.42 0.00 -0.05 0.00 0.00 175.22 175.46 1zgw s ALA 30 N 2.09 3.47 -0.51 1.99 0.00 0.18 -3.96 121.76 125.02 1zgw s ALA 30 Ca 0.05 -1.25 -0.22 0.00 0.00 0.00 0.00 51.96 50.54 1zgw s ALA 30 Cb -0.12 -2.94 0.04 0.00 0.00 0.00 0.00 23.12 20.10 1zgw s ALA 30 CO -0.04 -1.26 0.79 0.08 0.00 0.00 0.00 175.76 175.33 1zgw s VAL 31 N 2.15 4.62 0.21 0.00 1.01 0.34 -1.07 120.40 127.66 1zgw s VAL 31 Ca 0.14 0.07 0.36 0.00 0.00 0.00 0.00 61.98 62.55 1zgw s VAL 31 Cb -0.16 -4.39 0.40 0.00 0.00 0.00 0.00 36.38 32.23 1zgw s VAL 31 CO 0.13 -0.89 2.06 0.03 0.00 0.00 0.00 175.10 176.43 1zgw h ARG 32 N 9.11 0.00 -0.09 2.72 3.08 0.88 0.13 114.38 130.21 1zgw h ARG 32 Ca -0.26 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.70 1zgw h ARG 32 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 1zgw h ARG 32 CO 1.01 0.00 -0.34 0.00 -1.07 0.00 0.00 179.97 179.57 1zgw h THR 33 N 0.00 1.27 -0.03 2.04 1.03 -1.90 -3.13 112.91 112.20 1zgw h THR 33 Ca 0.00 -1.29 0.00 0.00 -0.01 0.00 0.00 66.41 65.11 1zgw h THR 33 Cb 0.40 1.58 0.00 0.00 -1.07 0.00 0.00 68.15 69.06 1zgw h THR 33 CO 0.00 0.38 0.00 1.07 -0.01 0.00 0.00 175.52 176.96 1zgw n THR 34 N -4.10 0.37 -3.12 0.00 5.66 -0.96 -4.99 114.28 107.15 1zgw n THR 34 Ca -0.01 -0.69 -0.23 0.00 -3.05 0.00 0.00 64.05 60.07 1zgw n THR 34 Cb 0.41 0.84 0.04 0.00 -1.55 0.00 0.00 70.33 70.07 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 -0.04 -0.53 3.45 1.09 0.00 0.40 -4.87 105.19 104.69 1zgw n GLY 35 Ca 0.02 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.19 1.70 0.02 -0.61 1.01 -0.84 -0.10 121.20 119.20 1zgw s ILE 36 Ca 0.35 -2.12 -0.13 0.00 0.00 0.00 0.00 60.65 58.74 1zgw s ILE 36 Cb -0.16 -2.53 0.02 0.00 0.01 0.00 0.00 42.46 39.80 1zgw s ILE 36 CO 0.43 -0.25 0.28 0.72 0.00 0.00 0.00 174.94 176.12 1zgw s PHE 37 N -2.97 -0.10 0.45 3.97 -0.12 -1.25 0.13 117.98 118.08 1zgw s PHE 37 Ca 0.31 0.05 0.08 0.00 -0.05 0.00 0.00 56.93 57.31 1zgw s PHE 37 Cb 0.04 0.07 -0.00 0.00 -0.63 0.00 0.00 43.02 42.50 1zgw s PHE 37 CO 0.13 -0.43 0.43 1.03 -0.05 0.00 0.00 175.22 176.33 1zgw s ARG 39 N -1.99 2.51 0.33 1.99 3.00 -1.26 -3.85 118.95 119.68 1zgw s ARG 39 Ca -0.09 -1.57 0.25 0.00 0.00 0.00 0.00 55.73 54.32 1zgw s ARG 39 Cb -0.03 -2.41 1.15 0.00 0.00 0.00 0.00 34.95 33.66 1zgw s ARG 39 CO 0.00 -0.31 1.76 -1.00 0.00 0.00 0.00 175.30 175.75 1zgw h PRO 40 N 0.88 0.00 -0.28 3.54 0.13 -1.83 -2.92 132.00 131.52 1zgw h PRO 40 Ca -0.40 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.57 1zgw h PRO 40 Cb 1.27 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.30 1zgw h PRO 40 CO 0.55 0.00 -0.25 -1.13 -0.23 0.00 0.00 178.00 176.94 1zgw n SER 41 N -2.38 2.47 -4.56 1.44 3.41 -1.26 -2.77 113.62 109.97 1zgw n SER 41 Ca 0.01 -3.83 -0.49 0.00 -0.26 0.00 0.00 58.87 54.30 1zgw n SER 41 Cb 0.18 -0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 63.50 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 1.49 2.44 -0.10 0.00 0.00 -1.26 -4.56 116.66 114.66 1zgw n ARG 43 Ca 0.15 -2.22 -0.21 0.00 -0.00 0.00 0.00 57.85 55.57 1zgw n ARG 43 Cb 0.25 -1.49 -0.11 0.00 -0.00 0.00 0.00 32.46 31.11 1zgw n ARG 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1zgw n ALA 44 N 1.43 0.77 0.00 2.89 0.00 -1.26 -5.09 120.51 119.24 1zgw n ALA 44 Ca 0.18 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1zgw n ALA 44 Cb 0.59 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1zgw n ALA 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1zgw n ARG 45 N -4.44 -2.66 -4.13 0.00 0.63 -1.26 -5.18 116.66 99.60 1zgw n ARG 45 Ca -0.31 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.53 1zgw n ARG 45 Cb 0.65 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.46 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 -2.36 0.74 0.41 -0.14 3.76 -1.26 -4.93 115.29 111.51 1zgw s HIS 46 Ca 0.00 -0.95 0.07 0.00 -0.15 0.00 0.00 55.06 54.03 1zgw s HIS 46 Cb 0.00 -0.46 -0.05 0.00 1.11 0.00 0.00 32.58 33.17 1zgw s HIS 46 CO 0.00 -0.23 0.16 0.00 -0.85 0.00 0.00 174.74 173.82 1zgw s ALA 47 N -3.64 3.54 0.68 -1.40 0.00 -1.26 -5.10 121.76 114.58 1zgw s ALA 47 Ca 0.09 -2.11 -0.17 0.00 0.00 0.00 0.00 51.96 49.77 1zgw s ALA 47 Cb 0.06 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.83 1zgw s ALA 47 CO -0.06 -0.15 1.24 -0.51 0.00 0.00 0.00 175.76 176.27 1zgw s LEU 48 N -3.88 3.46 0.47 0.00 1.43 -1.26 -4.87 118.68 114.02 1zgw s LEU 48 Ca 0.40 2.45 0.14 0.00 -1.03 0.00 0.00 54.13 56.09 1zgw s LEU 48 Cb 0.04 -4.60 1.08 0.00 0.03 0.00 0.00 46.19 42.74 1zgw s LEU 48 CO 0.22 -2.07 2.05 -0.09 0.23 0.00 0.00 176.35 176.69 1zgw h ARG 49 N 0.18 0.04 -0.35 1.70 2.43 -1.99 -3.10 114.38 113.29 1zgw h ARG 49 Ca -0.49 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 58.70 1zgw h ARG 49 Cb 1.31 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.81 1zgw h ARG 49 CO 0.52 0.14 -0.22 1.49 -1.51 0.00 0.00 179.97 180.39 1zgw h GLU 50 N 0.04 -0.01 -0.67 0.20 4.22 -2.00 0.39 114.58 116.75 1zgw h GLU 50 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.45 1zgw h GLU 50 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1zgw h GLU 50 CO 0.01 -0.01 0.00 0.09 -2.18 0.00 0.00 179.01 176.92 1zgw n ASN 51 N -3.82 2.68 -4.40 1.04 3.02 -1.20 -4.81 115.26 107.77 1zgw n ASN 51 Ca 0.01 -2.29 -0.35 0.00 -0.03 0.00 0.00 54.58 51.92 1zgw n ASN 51 Cb 0.10 -0.47 -0.13 0.00 -0.61 0.00 0.00 39.78 38.67 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 -1.71 3.87 0.46 2.41 1.01 0.14 0.13 120.40 126.71 1zgw s VAL 52 Ca 0.23 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1zgw s VAL 52 Cb 0.16 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1zgw s VAL 52 CO 0.09 0.40 0.02 -0.94 0.00 0.00 0.00 175.10 174.67 1zgw s SER 53 N 1.37 3.84 0.14 3.32 1.04 -0.23 -4.84 113.70 118.33 1zgw s SER 53 Ca 0.05 -1.56 0.11 0.00 0.48 0.00 0.00 55.95 55.03 1zgw s SER 53 Cb -0.15 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 1zgw s SER 53 CO 0.01 -0.73 -0.27 -0.36 0.98 0.00 0.00 173.24 172.87 1zgw s PHE 54 N -2.88 2.31 0.12 5.02 0.08 -1.26 0.51 117.98 121.88 1zgw s PHE 54 Ca 0.18 -0.38 0.06 0.00 0.12 0.00 0.00 56.93 56.91 1zgw s PHE 54 Cb 0.05 -1.24 -0.04 0.00 -0.57 0.00 0.00 43.02 41.22 1zgw s PHE 54 CO 0.09 0.35 -0.14 0.71 -0.10 0.00 0.00 175.22 176.14 1zgw s TYR 55 N -1.12 1.37 0.14 0.36 2.02 -0.52 -4.90 117.35 114.71 1zgw s TYR 55 Ca 0.15 -0.57 -0.11 0.00 -0.37 0.00 0.00 57.07 56.17 1zgw s TYR 55 Cb -0.10 -0.72 -0.06 0.00 -0.40 0.00 0.00 41.96 40.68 1zgw s TYR 55 CO 0.06 0.13 1.43 0.00 -1.57 0.00 0.00 175.55 175.61 1zgw h ALA 56 N 3.50 0.51 -2.30 3.71 0.00 -1.90 -0.34 119.26 122.44 1zgw h ALA 56 Ca -0.40 -0.50 -0.20 0.00 0.00 0.00 0.00 54.91 53.81 1zgw h ALA 56 Cb 1.20 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 1zgw h ALA 56 CO 0.51 0.68 -0.67 0.54 0.00 0.00 0.00 179.25 180.31 1zgw s ASN 57 N -6.92 0.78 0.56 0.00 2.20 -1.26 -3.84 114.94 106.46 1zgw s ASN 57 Ca -0.11 -1.10 0.32 0.00 -0.94 0.00 0.00 52.86 51.03 1zgw s ASN 57 Cb 0.10 0.18 1.65 0.00 -2.00 0.00 0.00 41.25 41.19 1zgw s ASN 57 CO 0.89 -0.59 2.13 0.00 -2.94 0.00 0.00 177.10 176.59 1zgw h ALA 58 N 2.91 1.22 -0.20 3.54 0.00 -1.93 -2.14 119.26 122.65 1zgw h ALA 58 Ca -0.35 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.33 1zgw h ALA 58 Cb 1.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1zgw h ALA 58 CO 0.63 0.09 -0.55 1.03 0.00 0.00 0.00 179.25 180.44 1zgw h SER 59 N 0.00 0.68 -0.06 0.00 0.87 -1.96 0.83 113.55 113.91 1zgw h SER 59 Ca -0.00 -0.37 -0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1zgw h SER 59 Cb 0.26 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1zgw h SER 59 CO 0.01 1.10 0.03 -0.08 -0.53 0.00 0.00 176.83 177.36 1zgw h GLU 60 N 0.47 0.09 -0.70 2.24 4.57 -1.81 1.42 114.58 120.86 1zgw h GLU 60 Ca 0.01 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 1zgw h GLU 60 Cb 1.11 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.64 1zgw h GLU 60 CO 0.11 0.15 0.44 0.00 -1.18 0.00 0.00 179.01 178.53 1zgw h ALA 61 N 0.93 0.91 0.00 2.92 0.00 -1.25 0.31 119.26 123.08 1zgw h ALA 61 Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1zgw h ALA 61 Cb 0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1zgw h ALA 61 CO -0.00 0.22 -0.14 -0.07 0.00 0.00 0.00 179.25 179.25 1zgw h LEU 62 N 0.86 0.00 -0.07 0.00 3.38 0.17 -0.57 115.31 119.08 1zgw h LEU 62 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1zgw h LEU 62 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1zgw h LEU 62 CO -0.11 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1zgw h ALA 63 N 1.86 1.00 0.00 1.53 0.00 0.56 -3.07 119.26 121.14 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 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1zgw h ALA 63 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1zgw n ALA 64 N -1.96 2.54 -1.75 0.00 0.00 -0.20 -4.83 120.51 114.31 1zgw n ALA 64 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1zgw n ALA 64 Cb 0.47 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 0.75 0.76 3.79 0.00 0.00 -1.16 -5.07 105.19 104.26 1zgw n GLY 65 Ca 0.20 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.24 3.06 -0.27 1.61 0.08 -1.22 -5.00 117.98 113.99 1zgw s PHE 66 Ca 0.00 -0.11 -0.11 0.00 0.12 0.00 0.00 56.93 56.83 1zgw s PHE 66 Cb 0.00 -1.40 -0.05 0.00 -0.57 0.00 0.00 43.02 41.00 1zgw s PHE 66 CO 0.00 0.53 0.19 0.50 -0.10 0.00 0.00 175.22 176.34 1zgw s ARG 67 N -3.65 3.97 0.37 0.44 3.52 0.85 -4.64 118.95 119.81 1zgw s ARG 67 Ca 0.32 -0.31 -0.28 0.00 -0.13 0.00 0.00 55.73 55.33 1zgw s ARG 67 Cb -0.08 -3.64 -0.11 0.00 -1.56 0.00 0.00 34.95 29.56 1zgw s ARG 67 CO 0.24 -0.15 1.42 -1.25 -0.81 0.00 0.00 175.30 174.75 1zgw s PRO 68 N 1.67 4.17 -0.07 5.12 0.04 -1.26 -3.76 135.00 140.91 1zgw s PRO 68 Ca 0.07 2.44 -0.29 0.00 0.04 0.00 0.00 61.00 63.26 1zgw s PRO 68 Cb -0.16 -2.99 -0.06 0.00 0.04 0.00 0.00 34.50 31.34 1zgw s PRO 68 CO 0.10 -0.43 1.84 0.00 0.04 0.00 0.00 177.00 178.56 1zgw n LYS 70 N 7.59 0.00 -0.12 0.00 4.81 -1.26 0.60 118.16 129.79 1zgw n LYS 70 Ca 0.20 0.21 -0.15 0.00 -0.87 0.00 0.00 58.31 57.69 1zgw n LYS 70 Cb 0.43 -1.64 -0.12 0.00 0.02 0.00 0.00 35.03 33.72 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 -1.14 0.66 0.10 1.64 3.00 -1.26 -4.25 116.66 115.40 1zgw n ARG 71 Ca 0.00 0.11 0.12 0.00 -0.00 0.00 0.00 57.85 58.08 1zgw n ARG 71 Cb 0.14 -1.49 0.05 0.00 0.00 0.00 0.00 32.46 31.16 1zgw n ARG 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1zgw h GLN 73 N 0.00 0.34 0.00 0.00 4.15 -0.06 -3.35 115.11 116.20 1zgw h GLN 73 Ca 0.00 -0.58 -0.10 0.00 0.77 0.00 0.00 58.65 58.74 1zgw h GLN 73 Cb 0.93 0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.82 1zgw h GLN 73 CO 0.00 1.28 -0.48 -1.00 -1.93 0.00 0.00 178.83 176.69 1zgw h PRO 74 N -0.28 0.00 -7.82 -2.39 0.13 -1.74 -3.46 132.00 116.43 1zgw h PRO 74 Ca -0.16 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.53 1zgw h PRO 74 Cb 1.72 0.00 0.16 0.00 0.13 0.00 0.00 31.00 33.02 1zgw h PRO 74 CO 0.17 0.48 0.42 0.16 -0.23 0.00 0.00 178.00 179.01 1zgw s ASP 75 N -6.45 3.07 -0.10 1.44 1.47 -1.24 -5.07 116.67 109.79 1zgw s ASP 75 Ca 0.04 0.27 0.03 0.00 1.18 0.00 0.00 52.55 54.06 1zgw s ASP 75 Cb 0.08 -0.31 -0.01 0.00 -0.34 0.00 0.00 42.92 42.34 1zgw s ASP 75 CO 0.74 -2.76 -0.19 -0.54 0.68 0.00 0.00 175.17 173.10 1zgw s LYS 76 N -5.89 3.07 0.00 2.11 -0.14 -1.26 -4.99 119.74 112.64 1zgw s LYS 76 Ca 0.74 -0.80 0.00 0.00 -1.36 0.00 0.00 55.97 54.55 1zgw s LYS 76 Cb -0.04 -2.41 0.00 0.00 -1.68 0.00 0.00 37.83 33.70 1zgw s LYS 76 CO 0.53 0.25 0.00 0.00 -0.76 0.00 0.00 175.35 175.37 1zgw n ALA 77 N 3.36 0.00 0.11 5.17 0.00 -1.26 -3.78 120.51 124.10 1zgw n ALA 77 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.39 1zgw n ALA 77 Cb 0.53 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.61 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 0.07 0.13 0.00 -0.26 0.46 1.39 115.58 117.38 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 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 1zgw h ASN 78 CO 0.00 0.05 0.00 -0.81 -1.06 0.00 0.00 177.43 175.61 1zgw n PRO 79 N -4.47 0.13 0.11 0.81 -0.04 -1.26 -2.79 135.00 127.49 1zgw n PRO 79 Ca 0.04 0.58 -0.12 0.00 -0.04 0.00 0.00 63.50 63.95 1zgw n PRO 79 Cb 0.32 -1.88 -0.07 0.00 -0.04 0.00 0.00 33.50 31.82 1zgw n PRO 79 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1zgw h ARG 80 N 0.00 -0.58 -0.91 0.54 2.43 0.18 0.09 114.38 116.13 1zgw h ARG 80 Ca 0.00 0.04 0.21 0.00 -0.81 0.00 0.00 59.98 59.42 1zgw h ARG 80 Cb 0.07 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.68 1zgw h ARG 80 CO 0.00 -0.38 0.60 1.96 -1.51 0.00 0.00 179.97 180.64 1zgw h GLN 81 N -0.60 0.37 -0.28 0.20 7.50 -1.69 -0.82 115.11 119.80 1zgw h GLN 81 Ca -0.01 -0.02 -0.10 0.00 0.50 0.00 0.00 58.65 59.01 1zgw h GLN 81 Cb 0.58 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 28.02 1zgw h GLN 81 CO -0.18 0.25 -0.22 1.25 -1.50 0.00 0.00 178.83 178.43 1zgw h HIS 82 N 0.39 0.75 0.00 2.96 -0.00 -1.39 -0.58 115.15 117.28 1zgw h HIS 82 Ca 0.48 -0.21 -0.06 0.00 -0.00 0.00 0.00 60.37 60.58 1zgw h HIS 82 Cb 1.22 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 28.46 1zgw h HIS 82 CO -0.00 0.92 -0.26 -0.09 -0.00 0.00 0.00 177.93 178.49 1zgw h ARG 83 N 0.37 0.00 0.00 5.26 1.12 0.23 -1.55 114.38 119.81 1zgw h ARG 83 Ca 0.05 0.00 -0.18 0.00 -1.11 0.00 0.00 59.98 58.74 1zgw h ARG 83 Cb 0.76 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.70 1zgw h ARG 83 CO 0.06 0.26 -0.86 -0.07 -3.11 0.00 0.00 179.97 176.25 1zgw h LEU 84 N 0.00 0.00 -1.15 3.80 -0.00 -0.91 -2.73 115.31 114.31 1zgw h LEU 84 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1zgw h LEU 84 Cb 0.59 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.21 1zgw h LEU 84 CO 0.03 0.86 0.41 0.44 -0.00 0.00 0.00 178.44 180.19 1zgw h ASP 85 N 0.00 0.89 0.03 -0.43 3.32 -0.11 -1.99 116.42 118.13 1zgw h ASP 85 Ca -0.01 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.00 1zgw h ASP 85 Cb 1.56 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.86 1zgw h ASP 85 CO 0.11 0.70 -0.13 0.50 -1.72 0.00 0.00 179.24 178.71 1zgw h LYS 86 N 1.01 -0.22 -0.74 3.56 3.64 -1.14 -2.28 116.57 120.40 1zgw h LYS 86 Ca 0.26 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.81 1zgw h LYS 86 Cb -0.00 0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 31.77 1zgw h LYS 86 CO -0.04 -0.15 0.23 0.82 -2.27 0.00 0.00 179.45 178.04 1zgw h ILE 87 N -0.23 0.58 -0.70 2.00 1.08 -1.15 0.20 117.51 119.28 1zgw h ILE 87 Ca 0.04 -0.11 0.13 0.00 -0.39 0.00 0.00 64.86 64.52 1zgw h ILE 87 Cb 0.27 0.21 -0.09 0.00 -3.07 0.00 0.00 36.82 34.13 1zgw h ILE 87 CO -0.10 0.06 0.23 0.74 -0.69 0.00 0.00 178.15 178.39 1zgw h THR 88 N 0.33 0.64 -0.87 -0.27 2.02 -0.92 1.27 112.91 115.11 1zgw h THR 88 Ca 0.41 -0.13 0.10 0.00 0.77 0.00 0.00 66.41 67.56 1zgw h THR 88 Cb 0.67 0.24 -0.06 0.00 -1.74 0.00 0.00 68.15 67.26 1zgw h THR 88 CO -0.46 0.07 0.56 -0.74 0.37 0.00 0.00 175.52 175.32 1zgw h HIS 89 N 0.37 0.91 -0.85 3.16 -0.00 -0.38 0.64 115.15 118.99 1zgw h HIS 89 Ca 0.38 0.02 0.12 0.00 -0.00 0.00 0.00 60.37 60.90 1zgw h HIS 89 Cb 0.59 -0.29 -0.06 0.00 -0.00 0.00 0.00 27.41 27.64 1zgw h HIS 89 CO -0.20 0.41 0.55 0.00 -0.00 0.00 0.00 177.93 178.70 1zgw h ALA 90 N 1.57 1.80 0.80 5.26 0.00 0.23 -1.42 119.26 127.50 1zgw h ALA 90 Ca 0.40 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 1zgw h ALA 90 Cb 0.43 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1zgw h ALA 90 CO -0.17 -0.01 -0.38 0.00 0.00 0.00 0.00 179.25 178.69 1zgw h ARG 92 N -1.19 -0.14 -0.78 0.00 2.43 -0.78 0.35 114.38 114.27 1zgw h ARG 92 Ca -0.11 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.16 1zgw h ARG 92 Cb 0.83 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.36 1zgw h ARG 92 CO 0.18 -0.09 0.51 1.25 -1.51 0.00 0.00 179.97 180.31 1zgw h LEU 93 N -0.14 0.65 -0.10 3.80 5.85 -1.30 1.73 115.31 125.80 1zgw h LEU 93 Ca 0.20 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1zgw h LEU 93 Cb 0.54 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1zgw h LEU 93 CO -0.80 0.39 0.00 0.18 -0.34 0.00 0.00 178.44 177.87 1zgw n LEU 94 N -4.50 0.08 0.00 2.25 4.32 0.12 -2.89 117.00 116.38 1zgw n LEU 94 Ca 0.13 0.52 0.00 0.00 -0.02 0.00 0.00 56.01 56.64 1zgw n LEU 94 Cb 0.32 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.60 1zgw n LEU 94 CO 0.32 -0.32 0.01 1.21 -1.22 0.00 0.00 177.39 177.40 1zgw n GLU 95 N -1.59 0.47 0.00 3.23 4.07 -0.41 -4.70 120.64 121.71 1zgw n GLU 95 Ca 0.03 -0.03 -0.18 0.00 -0.06 0.00 0.00 57.16 56.92 1zgw n GLU 95 Cb 0.16 -0.27 -0.14 0.00 -0.06 0.00 0.00 31.44 31.13 1zgw n GLU 95 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 1zgw n GLN 96 N -0.08 0.73 0.00 5.31 7.27 0.58 -4.93 117.38 126.26 1zgw n GLN 96 Ca 0.00 0.27 0.00 0.00 0.07 0.00 0.00 57.00 57.34 1zgw n GLN 96 Cb 0.09 -1.73 0.00 0.00 2.41 0.00 0.00 30.24 31.01 1zgw n GLN 96 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 1zgw n GLU 97 N -3.38 2.35 -0.02 3.69 0.28 -1.14 -5.03 120.64 117.38 1zgw n GLU 97 Ca -0.28 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.69 1zgw n GLU 97 Cb 1.05 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.91 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 0.56 -2.09 3.84 -1.04 -1.26 -4.94 114.28 109.35 1zgw n THR 98 Ca 0.00 0.31 -0.41 0.00 -2.04 0.00 0.00 64.05 61.91 1zgw n THR 98 Cb 0.00 -1.68 -0.02 0.00 -1.82 0.00 0.00 70.33 66.81 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 -1.66 4.31 0.54 -2.82 0.04 -1.26 -4.99 135.00 129.17 1zgw s PRO 99 Ca -0.08 2.24 -0.16 0.00 0.04 0.00 0.00 61.00 63.04 1zgw s PRO 99 Cb 0.01 -3.04 -0.06 0.00 0.04 0.00 0.00 34.50 31.44 1zgw s PRO 99 CO 0.13 -0.23 1.01 0.08 0.04 0.00 0.00 177.00 178.02 1zgw s VAL 100 N -1.15 4.36 -0.44 -0.36 1.01 -1.26 -4.91 120.40 117.66 1zgw s VAL 100 Ca 0.50 1.10 -0.03 0.00 0.00 0.00 0.00 61.98 63.55 1zgw s VAL 100 Cb -0.40 -3.64 0.12 0.00 0.00 0.00 0.00 36.38 32.45 1zgw s VAL 100 CO 0.54 -0.68 0.24 0.42 0.00 0.00 0.00 175.10 175.62 1zgw s THR 101 N -2.63 3.36 0.00 3.92 -4.23 -1.26 -4.70 115.64 110.10 1zgw s THR 101 Ca 0.60 -2.18 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 1zgw s THR 101 Cb -0.11 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.44 1zgw s THR 101 CO 0.34 -0.72 0.00 0.18 -0.54 0.00 0.00 174.62 173.88 1zgw n LEU 102 N 4.44 0.26 -0.34 4.79 4.77 -1.26 -4.79 117.00 124.87 1zgw n LEU 102 Ca -0.01 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.15 1zgw n LEU 102 Cb 0.41 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.85 1zgw n LEU 102 CO 0.33 -0.19 0.86 -0.08 -1.33 0.00 0.00 177.39 176.98 1zgw h GLU 103 N 0.00 0.01 -0.50 3.23 4.81 -1.97 0.49 114.58 120.65 1zgw h GLU 103 Ca 0.00 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1zgw h GLU 103 Cb 0.40 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1zgw h GLU 103 CO 0.00 0.01 -0.15 0.00 -0.73 0.00 0.00 179.01 178.14 1zgw h ALA 104 N 1.98 0.70 -0.05 2.92 0.00 -1.94 -0.93 119.26 121.94 1zgw h ALA 104 Ca 0.65 -0.37 -0.22 0.00 0.00 0.00 0.00 54.91 54.98 1zgw h ALA 104 Cb 1.45 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 19.08 1zgw h ALA 104 CO -0.88 0.64 -0.82 -0.07 0.00 0.00 0.00 179.25 178.12 1zgw h LEU 105 N 0.85 0.81 -0.48 0.00 4.07 -0.85 -1.89 115.31 117.83 1zgw h LEU 105 Ca 0.12 -0.70 -0.01 0.00 0.08 0.00 0.00 57.88 57.37 1zgw h LEU 105 Cb 0.72 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 1zgw h LEU 105 CO 0.06 1.40 0.26 0.00 -1.08 0.00 0.00 178.44 179.08 1zgw h ALA 106 N 0.43 0.61 -0.60 1.53 0.00 -0.21 -1.69 119.26 119.33 1zgw h ALA 106 Ca -0.09 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1zgw h ALA 106 Cb 1.48 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1zgw h ALA 106 CO 0.16 0.13 0.17 -0.44 0.00 0.00 0.00 179.25 179.27 1zgw h ASP 107 N 0.63 0.90 0.51 0.00 5.19 -1.20 0.86 116.42 123.31 1zgw h ASP 107 Ca 0.17 -0.22 -0.02 0.00 -0.62 0.00 0.00 57.03 56.34 1zgw h ASP 107 Cb 0.05 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.31 1zgw h ASP 107 CO -0.03 0.88 -0.37 -0.61 -3.12 0.00 0.00 179.24 176.00 1zgw h GLN 108 N 0.87 -0.81 0.45 3.56 4.15 -0.89 -3.27 115.11 119.17 1zgw h GLN 108 Ca 0.19 0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.65 1zgw h GLN 108 Cb 0.32 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1zgw h GLN 108 CO -0.00 -0.54 -0.23 0.28 -1.93 0.00 0.00 178.83 176.41 1zgw h VAL 109 N -0.84 0.00 0.00 2.39 2.07 -1.33 -3.48 116.25 115.06 1zgw h VAL 109 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1zgw h VAL 109 Cb 0.69 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1zgw h VAL 109 CO 0.03 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.62 1zgw n ALA 110 N -2.34 0.00 -2.26 1.67 0.00 0.16 -5.11 120.51 112.63 1zgw n ALA 110 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.20 1zgw n ALA 110 Cb 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.61 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 0.00 1.51 0.97 0.00 0.23 -0.37 -5.00 119.30 116.63 1zgw s MET 111 Ca 0.00 -1.84 -0.13 0.00 -1.03 0.00 0.00 55.69 52.69 1zgw s MET 111 Cb 0.00 0.30 0.17 0.00 -1.53 0.00 0.00 34.83 33.77 1zgw s MET 111 CO 0.00 -0.53 1.13 -1.54 -2.03 0.00 0.00 175.02 172.04 1zgw s SER 112 N -3.27 2.99 0.39 -1.18 1.04 -1.26 -4.18 113.70 108.22 1zgw s SER 112 Ca 0.40 0.98 0.08 0.00 0.48 0.00 0.00 55.95 57.89 1zgw s SER 112 Cb 0.04 -1.55 0.81 0.00 0.10 0.00 0.00 66.02 65.42 1zgw s SER 112 CO 0.20 -2.88 1.98 1.55 0.98 0.00 0.00 173.24 175.08 1zgw h PRO 113 N -1.72 0.40 -0.31 4.02 0.13 -1.95 -0.48 132.00 132.08 1zgw h PRO 113 Ca -0.52 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 64.44 1zgw h PRO 113 Cb 1.33 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1zgw h PRO 113 CO 0.58 0.38 -0.27 0.74 -0.23 0.00 0.00 178.00 179.20 1zgw h PHE 114 N 0.40 0.88 0.00 1.56 -1.00 -2.00 -2.23 116.94 114.55 1zgw h PHE 114 Ca 0.10 -0.25 -0.05 0.00 2.81 0.00 0.00 57.97 60.57 1zgw h PHE 114 Cb 0.17 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 1zgw h PHE 114 CO 0.00 1.01 -0.23 1.25 -1.61 0.00 0.00 178.31 178.73 1zgw h HIS 115 N 0.50 0.00 -0.55 -0.55 2.76 -1.75 -1.67 115.15 113.90 1zgw h HIS 115 Ca 0.06 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.19 1zgw h HIS 115 Cb 0.84 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.77 1zgw h HIS 115 CO 0.07 0.23 0.22 1.25 -1.30 0.00 0.00 177.93 178.40 1zgw h LEU 116 N 0.00 0.75 -0.75 0.26 7.12 -0.80 0.94 115.31 122.84 1zgw h LEU 116 Ca -0.00 -0.17 0.01 0.00 0.13 0.00 0.00 57.88 57.85 1zgw h LEU 116 Cb 0.72 -0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 40.61 1zgw h LEU 116 CO 0.03 0.72 0.50 0.45 -0.13 0.00 0.00 178.44 180.00 1zgw h HIS 117 N 0.74 0.94 -0.57 1.25 3.86 -0.87 -0.08 115.15 120.43 1zgw h HIS 117 Ca 0.18 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.45 1zgw h HIS 117 Cb 0.20 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 28.32 1zgw h HIS 117 CO 0.01 0.59 0.38 -0.09 0.86 0.00 0.00 177.93 179.68 1zgw h ARG 118 N 1.02 0.64 -0.11 2.45 9.65 -0.34 -1.66 114.38 126.03 1zgw h ARG 118 Ca 0.27 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 59.06 1zgw h ARG 118 Cb -0.12 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 28.32 1zgw h ARG 118 CO -0.06 0.43 -0.13 1.25 2.80 0.00 0.00 179.97 184.26 1zgw h LEU 119 N 0.66 0.31 -1.02 3.80 7.12 0.59 -0.42 115.31 126.37 1zgw h LEU 119 Ca 0.23 -0.50 0.22 0.00 0.13 0.00 0.00 57.88 57.96 1zgw h LEU 119 Cb 0.10 -0.09 -0.12 0.00 -0.53 0.00 0.00 40.66 40.02 1zgw h LEU 119 CO -0.06 0.75 0.60 0.15 -0.13 0.00 0.00 178.44 179.75 1zgw h PHE 120 N -0.12 1.03 0.03 1.25 3.04 -0.33 0.23 116.94 122.08 1zgw h PHE 120 Ca 0.02 0.03 -0.26 0.00 3.98 0.00 0.00 57.97 61.74 1zgw h PHE 120 Cb 0.67 -0.30 0.02 0.00 2.56 0.00 0.00 35.95 38.89 1zgw h PHE 120 CO 0.09 0.14 -1.07 -0.22 -2.02 0.00 0.00 178.31 175.23 1zgw h LYS 121 N 0.66 0.57 0.51 1.11 3.64 -1.19 -1.41 116.57 120.47 1zgw h LYS 121 Ca 0.61 -0.66 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1zgw h LYS 121 Cb 1.08 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1zgw h LYS 121 CO -0.43 1.27 -0.26 0.00 -2.27 0.00 0.00 179.45 177.75 1zgw h ALA 122 N 0.49 -0.71 0.49 5.00 0.00 0.97 1.44 119.26 126.95 1zgw h ALA 122 Ca -0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1zgw h ALA 122 Cb 1.72 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1zgw h ALA 122 CO 0.20 -0.90 -0.24 1.15 0.00 0.00 0.00 179.25 179.46 1zgw h THR 123 N -0.71 0.14 -1.02 0.00 2.02 -0.80 -2.85 112.91 109.70 1zgw h THR 123 Ca -0.07 -0.53 0.28 0.00 0.77 0.00 0.00 66.41 66.87 1zgw h THR 123 Cb 0.56 0.22 -0.06 0.00 -1.74 0.00 0.00 68.15 67.13 1zgw h THR 123 CO 0.10 0.03 0.71 0.00 0.37 0.00 0.00 175.52 176.72 1zgw h THR 124 N -1.12 0.52 0.00 3.16 1.03 -1.31 -3.46 112.91 111.72 1zgw h THR 124 Ca -0.07 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 66.28 1zgw h THR 124 Cb 0.56 0.36 0.00 0.00 -1.07 0.00 0.00 68.15 67.99 1zgw h THR 124 CO 0.11 0.03 0.00 0.61 -0.01 0.00 0.00 175.52 176.26 1zgw n GLY 125 N -1.65 3.08 2.70 2.99 0.00 0.49 -4.93 105.19 107.86 1zgw n GLY 125 Ca 0.22 -1.03 -0.07 0.00 0.00 0.00 0.00 46.02 45.15 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 1.22 -2.89 1.61 0.00 -0.68 -4.63 117.12 111.75 1zgw n MET 126 Ca 0.00 -1.77 0.01 0.00 0.00 0.00 0.00 57.70 55.94 1zgw n MET 126 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 33.22 33.22 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 0.15 -0.46 0.00 2.03 2.01 -1.26 -4.99 115.64 113.13 1zgw s THR 127 Ca 0.21 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.16 1zgw s THR 127 Cb 0.41 0.00 0.00 0.00 0.01 0.00 0.00 72.50 72.92 1zgw s THR 127 CO -0.09 0.00 0.00 -0.81 -0.69 0.00 0.00 174.62 173.03 1zgw n PRO 128 N 3.80 0.00 0.31 4.92 -0.04 -1.26 -3.11 135.00 139.62 1zgw n PRO 128 Ca 0.08 0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.73 1zgw n PRO 128 Cb 0.61 0.00 1.03 0.00 -0.04 0.00 0.00 33.50 35.10 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 -0.38 0.54 1.63 -1.93 -1.33 116.57 115.10 1zgw h LYS 129 Ca 0.00 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.69 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 -0.20 0.00 -3.45 0.00 0.00 179.45 175.80 1zgw h ALA 130 N 1.80 0.54 -0.58 5.00 0.00 -1.95 -1.49 119.26 122.58 1zgw h ALA 130 Ca 0.02 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1zgw h ALA 130 Cb 0.25 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1zgw h ALA 130 CO -0.00 0.49 0.08 2.35 0.00 0.00 0.00 179.25 182.18 1zgw h TRP 131 N 0.61 1.00 -0.21 0.00 -0.00 -1.18 -0.88 115.95 115.28 1zgw h TRP 131 Ca 0.08 -0.13 0.03 0.00 -0.00 0.00 0.00 58.89 58.88 1zgw h TRP 131 Cb 0.75 -0.28 -0.03 0.00 -0.00 0.00 0.00 29.16 29.60 1zgw h TRP 131 CO 0.06 0.86 0.01 0.37 -0.00 0.00 0.00 178.44 179.74 1zgw h GLN 132 N 0.89 0.08 -0.50 2.65 4.15 -1.28 -0.02 115.11 121.08 1zgw h GLN 132 Ca 0.18 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 1zgw h GLN 132 Cb 0.41 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 1zgw h GLN 132 CO 0.01 0.06 0.23 0.37 -1.93 0.00 0.00 178.83 177.57 1zgw h GLN 133 N 0.09 0.73 0.87 1.69 4.15 -0.91 -2.00 115.11 119.73 1zgw h GLN 133 Ca 0.10 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 1zgw h GLN 133 Cb 0.12 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.68 1zgw h GLN 133 CO -0.16 0.62 -0.49 0.00 -1.93 0.00 0.00 178.83 176.87 1zgw h ALA 134 N 1.08 -1.31 -0.80 3.38 0.00 -0.64 0.12 119.26 121.08 1zgw h ALA 134 Ca 0.17 -0.27 0.17 0.00 0.00 0.00 0.00 54.91 54.98 1zgw h ALA 134 Cb 0.13 0.59 -0.15 0.00 0.00 0.00 0.00 17.79 18.36 1zgw h ALA 134 CO -0.02 -1.25 -0.15 -1.49 0.00 0.00 0.00 179.25 176.34 1zgw h TRP 135 N -1.26 -0.33 -0.84 0.00 -0.00 -0.98 0.69 115.95 113.22 1zgw h TRP 135 Ca -0.12 0.07 0.02 0.00 -0.00 0.00 0.00 58.89 58.86 1zgw h TRP 135 Cb 1.00 0.27 -0.04 0.00 -0.00 0.00 0.00 29.16 30.39 1zgw h TRP 135 CO -0.07 -0.33 0.56 -0.09 -0.00 0.00 0.00 178.44 178.51 1zgw h ARG 136 N 0.02 1.08 -0.26 0.49 2.43 -0.97 0.93 114.38 118.10 1zgw h ARG 136 Ca 0.40 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.42 1zgw h ARG 136 Cb 0.64 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1zgw h ARG 136 CO -0.80 0.72 -0.20 0.00 -1.51 0.00 0.00 179.97 178.18 1zgw h ALA 137 N 1.48 1.18 -0.04 2.80 0.00 0.31 -2.65 119.26 122.34 1zgw h ALA 137 Ca 0.32 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1zgw h ALA 137 Cb -0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1zgw h ALA 137 CO -0.08 0.52 0.00 -2.13 0.00 0.00 0.00 179.25 177.57 1zgw n ARG 138 N -4.16 2.25 0.00 0.00 0.63 -0.42 -5.10 116.66 109.87 1zgw n ARG 138 Ca -0.00 -1.90 0.00 0.00 -0.92 0.00 0.00 57.85 55.03 1zgw n ARG 138 Cb 0.37 -1.45 0.00 0.00 0.45 0.00 0.00 32.46 31.83 1zgw n ARG 138 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99