#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 2.83 -0.10 2.12 2.20 -1.26 -5.11 119.74 120.42 1zgw s LYS 2 Ca 0.00 -0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 54.56 1zgw s LYS 2 Cb 0.00 -2.68 0.12 0.00 -1.51 0.00 0.00 37.83 33.76 1zgw s LYS 2 CO 0.00 0.55 0.99 0.21 -0.36 0.00 0.00 175.35 176.74 1zgw s LYS 3 N -2.49 0.64 0.00 4.03 2.20 -1.26 -4.91 119.74 117.95 1zgw s LYS 3 Ca 0.29 -0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.80 1zgw s LYS 3 Cb -0.12 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.50 1zgw s LYS 3 CO 0.22 -0.25 0.00 0.00 -0.36 0.00 0.00 175.35 174.96 1zgw n ALA 4 N 0.16 0.00 -0.09 3.13 0.00 -1.26 -4.93 120.51 117.52 1zgw n ALA 4 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 1zgw n ALA 4 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.03 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 0.00 0.29 -1.17 0.00 5.66 -1.26 -4.46 114.28 113.34 1zgw n THR 5 Ca 0.00 -0.13 -0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1zgw n THR 5 Cb 0.00 -1.39 -0.00 0.00 -1.55 0.00 0.00 70.33 67.38 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 0.03 -0.62 -3.75 0.00 4.77 -1.26 -4.99 117.00 111.18 1zgw n LEU 7 Ca -0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1zgw n LEU 7 Cb 0.00 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 40.80 1zgw n LEU 7 CO 0.00 0.00 1.57 0.41 -1.33 0.00 0.00 177.39 178.04 1zgw n THR 8 N -0.22 5.54 -0.52 -5.08 -1.04 -1.26 -4.80 114.28 106.90 1zgw n THR 8 Ca 0.00 -5.52 0.43 0.00 -2.04 0.00 0.00 64.05 56.92 1zgw n THR 8 Cb 0.06 -1.89 0.66 0.00 -1.82 0.00 0.00 70.33 67.34 1zgw n THR 8 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1zgw n ASP 9 N 1.11 0.00 -0.00 8.00 5.75 -1.26 0.39 116.55 130.53 1zgw n ASP 9 Ca 0.42 0.89 -0.09 0.00 -0.01 0.00 0.00 54.79 56.00 1zgw n ASP 9 Cb 0.29 -0.40 -0.03 0.00 -1.03 0.00 0.00 41.12 39.95 1zgw n ASP 9 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1zgw h ASP 10 N 0.00 -0.41 0.67 -1.12 3.32 -2.00 0.11 116.42 117.00 1zgw h ASP 10 Ca 0.76 0.08 -0.27 0.00 0.02 0.00 0.00 57.03 57.62 1zgw h ASP 10 Cb 3.40 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 43.13 1zgw h ASP 10 CO -0.01 -0.17 -1.36 -0.61 -1.72 0.00 0.00 179.24 175.37 1zgw h GLN 11 N -0.16 0.10 -0.96 3.56 5.75 -0.45 -2.60 115.11 120.35 1zgw h GLN 11 Ca 0.09 -0.18 0.20 0.00 -0.15 0.00 0.00 58.65 58.61 1zgw h GLN 11 Cb 0.29 0.07 -0.11 0.00 1.07 0.00 0.00 27.48 28.79 1zgw h GLN 11 CO -0.22 0.94 0.55 0.00 -2.65 0.00 0.00 178.83 177.45 1zgw h ARG 12 N 0.03 0.63 -0.60 1.69 -0.00 -1.09 1.67 114.38 116.70 1zgw h ARG 12 Ca -0.16 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.98 59.19 1zgw h ARG 12 Cb 1.92 -0.14 -0.02 0.00 0.00 0.00 0.00 29.97 31.73 1zgw h ARG 12 CO 0.13 0.42 0.04 2.35 0.00 0.00 0.00 179.97 182.91 1zgw h TRP 13 N 0.65 1.12 0.00 3.04 -0.00 -0.74 0.83 115.95 120.86 1zgw h TRP 13 Ca 0.57 -0.18 -0.03 0.00 -0.00 0.00 0.00 58.89 59.25 1zgw h TRP 13 Cb 0.95 -0.30 -0.00 0.00 -0.00 0.00 0.00 29.16 29.81 1zgw h TRP 13 CO -0.04 0.98 -0.16 0.37 -0.00 0.00 0.00 178.44 179.60 1zgw h GLN 14 N 0.94 0.00 0.00 2.65 5.75 0.23 0.12 115.11 124.79 1zgw h GLN 14 Ca 0.18 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.58 1zgw h GLN 14 Cb 0.51 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.04 1zgw h GLN 14 CO 0.02 0.16 -0.48 0.77 -2.65 0.00 0.00 178.83 176.65 1zgw h SER 15 N 0.00 0.00 0.30 -0.69 0.02 0.26 -0.39 113.55 113.05 1zgw h SER 15 Ca -0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.65 1zgw h SER 15 Cb 0.28 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.84 1zgw h SER 15 CO 0.02 0.48 -1.27 0.58 -1.14 0.00 0.00 176.83 175.50 1zgw h VAL 16 N 0.00 1.35 0.07 2.27 2.07 0.15 -0.65 116.25 121.51 1zgw h VAL 16 Ca -0.00 -2.66 -0.26 0.00 0.82 0.00 0.00 66.70 64.60 1zgw h VAL 16 Cb 1.07 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 33.63 1zgw h VAL 16 CO 0.06 0.80 -1.23 -0.07 0.02 0.00 0.00 177.57 177.15 1zgw h LEU 17 N 0.19 0.24 -0.35 2.57 3.38 -1.09 -3.31 115.31 116.95 1zgw h LEU 17 Ca -0.18 -0.28 -0.19 0.00 0.09 0.00 0.00 57.88 57.32 1zgw h LEU 17 Cb 1.95 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.62 1zgw h LEU 17 CO 0.23 1.22 -0.76 0.00 0.09 0.00 0.00 178.44 179.22 1zgw h ALA 18 N 0.74 0.53 0.00 1.53 0.00 -1.13 -3.48 119.26 117.46 1zgw h ALA 18 Ca -0.11 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1zgw h ALA 18 Cb 1.91 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1zgw h ALA 18 CO 0.16 0.76 0.00 2.89 0.00 0.00 0.00 179.25 183.07 1zgw n ARG 19 N -3.83 0.00 -1.69 0.00 1.85 -0.67 -5.01 116.66 107.30 1zgw n ARG 19 Ca -0.05 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.37 1zgw n ARG 19 Cb 0.73 -0.85 -0.03 0.00 -1.05 0.00 0.00 32.46 31.26 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 -2.24 5.55 0.00 2.89 2.15 -0.34 -4.63 116.67 120.05 1zgw s ASP 20 Ca 0.00 1.77 0.09 0.00 0.43 0.00 0.00 52.55 54.84 1zgw s ASP 20 Cb 0.00 -2.51 0.53 0.00 -0.30 0.00 0.00 42.92 40.64 1zgw s ASP 20 CO 0.00 -1.91 1.13 -0.81 -0.17 0.00 0.00 175.17 173.41 1zgw n PRO 21 N 8.69 0.74 -0.00 4.34 -0.04 -1.26 -2.24 135.00 145.22 1zgw n PRO 21 Ca 0.28 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.84 1zgw n PRO 21 Cb 0.45 -1.19 -0.11 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.86 -0.26 3.54 5.15 -1.26 -4.07 115.26 118.53 1zgw n ASN 22 Ca 0.07 -0.85 0.07 0.00 -0.60 0.00 0.00 54.58 53.27 1zgw n ASN 22 Cb 0.03 1.10 -0.02 0.00 -0.53 0.00 0.00 39.78 40.36 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 -1.54 3.31 -2.54 5.20 0.00 -0.95 -4.72 120.51 119.26 1zgw n ALA 23 Ca 0.03 -0.50 -0.42 0.00 0.00 0.00 0.00 53.44 52.55 1zgw n ALA 23 Cb 0.33 -0.53 -0.03 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.95 7.13 0.00 0.00 -1.08 -1.22 -2.02 116.67 117.54 1zgw s ASP 24 Ca 0.11 1.74 0.00 0.00 -0.52 0.00 0.00 52.55 53.88 1zgw s ASP 24 Cb 0.12 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 1zgw s ASP 24 CO 0.43 -0.51 0.00 0.61 0.52 0.00 0.00 175.17 176.22 1zgw n GLY 25 N 3.24 2.94 0.13 2.66 0.00 -1.26 0.52 105.19 113.42 1zgw n GLY 25 Ca 0.10 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 0.41 -3.77 1.61 4.81 -1.68 -3.45 114.58 112.51 1zgw h GLU 26 Ca 0.00 -0.64 -0.09 0.00 -0.13 0.00 0.00 59.36 58.50 1zgw h GLU 26 Cb 0.00 0.23 -0.10 0.00 0.63 0.00 0.00 28.75 29.51 1zgw h GLU 26 CO 0.00 1.29 -0.17 -0.59 -0.73 0.00 0.00 179.01 178.81 1zgw s PHE 27 N -2.63 0.48 0.39 0.92 -0.12 -0.86 -4.34 117.98 111.84 1zgw s PHE 27 Ca -0.12 -0.83 0.03 0.00 -0.05 0.00 0.00 56.93 55.97 1zgw s PHE 27 Cb 0.02 0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.48 1zgw s PHE 27 CO 0.87 -0.97 0.10 0.14 -0.05 0.00 0.00 175.22 175.30 1zgw s VAL 28 N -3.96 0.83 -0.05 -2.49 -7.23 -0.34 -4.42 120.40 102.73 1zgw s VAL 28 Ca 0.25 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.40 1zgw s VAL 28 Cb 0.00 -2.46 0.03 0.00 0.56 0.00 0.00 36.38 34.51 1zgw s VAL 28 CO 0.10 0.00 0.05 0.72 -0.31 0.00 0.00 175.10 175.66 1zgw s PHE 29 N -3.21 0.18 -0.38 2.82 -0.12 -1.25 -1.49 117.98 114.54 1zgw s PHE 29 Ca 0.26 0.16 -0.16 0.00 -0.05 0.00 0.00 56.93 57.14 1zgw s PHE 29 Cb 0.04 -0.55 0.00 0.00 -0.63 0.00 0.00 43.02 41.89 1zgw s PHE 29 CO 0.14 -0.23 0.37 0.00 -0.05 0.00 0.00 175.22 175.45 1zgw s ALA 30 N 2.13 3.47 -0.60 1.99 0.00 0.56 -3.85 121.76 125.46 1zgw s ALA 30 Ca 0.05 -1.38 -0.23 0.00 0.00 0.00 0.00 51.96 50.40 1zgw s ALA 30 Cb -0.12 -2.90 0.06 0.00 0.00 0.00 0.00 23.12 20.16 1zgw s ALA 30 CO -0.04 -1.29 0.91 0.08 0.00 0.00 0.00 175.76 175.42 1zgw s VAL 31 N 2.00 4.43 0.49 0.00 1.01 0.46 -1.38 120.40 127.41 1zgw s VAL 31 Ca 0.11 -0.16 0.41 0.00 0.00 0.00 0.00 61.98 62.34 1zgw s VAL 31 Cb -0.17 -4.58 0.43 0.00 0.00 0.00 0.00 36.38 32.06 1zgw s VAL 31 CO 0.12 -1.24 2.25 0.03 0.00 0.00 0.00 175.10 176.26 1zgw h ARG 32 N 9.39 0.00 -0.14 2.72 3.08 0.14 0.20 114.38 129.77 1zgw h ARG 32 Ca -0.28 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.70 1zgw h ARG 32 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 1zgw h ARG 32 CO 1.12 0.00 -0.25 0.00 -1.07 0.00 0.00 179.97 179.77 1zgw h THR 33 N 0.00 1.24 -0.03 2.04 1.03 -1.90 -3.07 112.91 112.22 1zgw h THR 33 Ca -0.00 -1.12 0.00 0.00 -0.01 0.00 0.00 66.41 65.28 1zgw h THR 33 Cb 0.16 1.42 0.00 0.00 -1.07 0.00 0.00 68.15 68.66 1zgw h THR 33 CO 0.00 0.34 0.00 1.07 -0.01 0.00 0.00 175.52 176.92 1zgw n THR 34 N -4.16 0.34 -3.07 0.00 5.66 -0.67 -4.99 114.28 107.39 1zgw n THR 34 Ca -0.01 -0.67 -0.22 0.00 -3.05 0.00 0.00 64.05 60.10 1zgw n THR 34 Cb 0.36 0.86 0.04 0.00 -1.55 0.00 0.00 70.33 70.05 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 0.01 -0.47 3.46 1.09 0.00 0.60 -4.89 105.19 104.99 1zgw n GLY 35 Ca 0.02 0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.18 1.63 -0.03 -0.61 1.01 -0.86 0.12 121.20 119.28 1zgw s ILE 36 Ca 0.33 -2.09 -0.13 0.00 0.00 0.00 0.00 60.65 58.75 1zgw s ILE 36 Cb -0.15 -2.58 0.02 0.00 0.01 0.00 0.00 42.46 39.76 1zgw s ILE 36 CO 0.41 -0.21 0.29 0.72 0.00 0.00 0.00 174.94 176.16 1zgw s PHE 37 N -3.01 -0.19 0.54 3.97 -0.12 -1.24 0.18 117.98 118.10 1zgw s PHE 37 Ca 0.32 0.34 0.06 0.00 -0.05 0.00 0.00 56.93 57.59 1zgw s PHE 37 Cb 0.05 0.09 0.04 0.00 -0.63 0.00 0.00 43.02 42.57 1zgw s PHE 37 CO 0.13 -0.34 0.41 1.03 -0.05 0.00 0.00 175.22 176.40 1zgw s ARG 39 N -1.05 2.26 0.56 1.99 0.52 -1.26 -3.72 118.95 118.24 1zgw s ARG 39 Ca -0.11 -2.00 0.33 0.00 -0.52 0.00 0.00 55.73 53.43 1zgw s ARG 39 Cb -0.05 -2.11 1.54 0.00 0.52 0.00 0.00 34.95 34.86 1zgw s ARG 39 CO 0.03 -0.61 2.06 -1.00 0.02 0.00 0.00 175.30 175.80 1zgw h PRO 40 N 0.75 0.00 -0.28 3.54 0.13 -1.81 -3.12 132.00 131.21 1zgw h PRO 40 Ca -0.37 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.60 1zgw h PRO 40 Cb 1.30 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.33 1zgw h PRO 40 CO 0.57 0.05 -0.24 -1.13 -0.23 0.00 0.00 178.00 177.02 1zgw n SER 41 N -3.24 2.48 -4.52 1.44 3.41 -1.26 -3.24 113.62 108.68 1zgw n SER 41 Ca -0.01 -3.83 -0.49 0.00 -0.26 0.00 0.00 58.87 54.28 1zgw n SER 41 Cb 0.26 -0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 63.58 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 1.30 2.50 -0.10 0.00 0.00 -1.26 -4.56 116.66 114.54 1zgw n ARG 43 Ca 0.15 -2.31 -0.21 0.00 -0.00 0.00 0.00 57.85 55.49 1zgw n ARG 43 Cb 0.24 -1.50 -0.11 0.00 -0.00 0.00 0.00 32.46 31.09 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 1.46 0.77 0.00 2.89 0.00 -1.26 -5.09 120.51 119.27 1zgw n ALA 44 Ca 0.19 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1zgw n ALA 44 Cb 0.60 -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 -1.01 -4.30 0.00 3.00 -1.26 -5.18 116.66 103.46 1zgw n ARG 45 Ca -0.31 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.37 1zgw n ARG 45 Cb 0.65 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 33.01 1zgw n ARG 45 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1zgw s HIS 46 N -2.00 1.52 0.31 -0.14 3.76 -1.26 -4.97 115.29 112.52 1zgw s HIS 46 Ca 0.00 -0.64 0.11 0.00 -0.15 0.00 0.00 55.06 54.38 1zgw s HIS 46 Cb 0.00 -0.74 -0.06 0.00 1.11 0.00 0.00 32.58 32.90 1zgw s HIS 46 CO 0.00 0.24 -0.14 0.00 -0.85 0.00 0.00 174.74 173.99 1zgw s ALA 47 N -3.00 2.87 0.93 -1.40 0.00 -1.26 -5.11 121.76 114.78 1zgw s ALA 47 Ca 0.19 -1.99 -0.13 0.00 0.00 0.00 0.00 51.96 50.03 1zgw s ALA 47 Cb -0.00 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.01 1zgw s ALA 47 CO 0.04 0.17 0.50 1.28 0.00 0.00 0.00 175.76 177.76 1zgw n LEU 48 N -0.72 0.29 0.14 0.00 4.77 -1.26 -4.87 117.00 115.35 1zgw n LEU 48 Ca -0.05 0.36 -0.01 0.00 -0.03 0.00 0.00 56.01 56.28 1zgw n LEU 48 Cb 0.62 -1.24 0.21 0.00 -2.33 0.00 0.00 43.42 40.68 1zgw n LEU 48 CO 0.41 -3.42 0.56 -0.09 -1.33 0.00 0.00 177.39 173.52 1zgw h ARG 49 N -1.50 0.04 -0.82 3.23 2.43 -2.00 -3.26 114.38 112.50 1zgw h ARG 49 Ca -0.44 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 58.78 1zgw h ARG 49 Cb 1.29 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.74 1zgw h ARG 49 CO 0.36 0.58 -0.49 -1.91 -1.51 0.00 0.00 179.97 177.00 1zgw n GLU 50 N -3.90 -0.36 -0.38 0.20 0.00 -1.26 0.12 120.64 115.06 1zgw n GLU 50 Ca -0.01 1.40 0.04 0.00 0.00 0.00 0.00 57.16 58.58 1zgw n GLU 50 Cb 0.56 -2.06 0.19 0.00 0.00 0.00 0.00 31.44 30.13 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 -4.87 2.99 -4.38 4.31 3.02 -1.24 -4.83 115.26 110.25 1zgw n ASN 51 Ca 0.02 -2.34 -0.34 0.00 -0.03 0.00 0.00 54.58 51.88 1zgw n ASN 51 Cb 0.21 -0.50 -0.13 0.00 -0.61 0.00 0.00 39.78 38.75 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 -1.78 3.55 0.45 2.41 1.01 0.33 0.17 120.40 126.55 1zgw s VAL 52 Ca 0.27 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1zgw s VAL 52 Cb 0.19 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1zgw s VAL 52 CO 0.10 0.45 0.02 -0.94 0.00 0.00 0.00 175.10 174.74 1zgw s SER 53 N 1.01 3.75 0.13 3.32 1.04 -0.48 -4.85 113.70 117.62 1zgw s SER 53 Ca 0.01 -1.55 0.11 0.00 0.48 0.00 0.00 55.95 54.99 1zgw s SER 53 Cb -0.15 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 1zgw s SER 53 CO 0.00 -0.73 -0.26 -0.36 0.98 0.00 0.00 173.24 172.88 1zgw s PHE 54 N -2.90 2.21 0.11 5.02 0.08 -1.26 -0.32 117.98 120.92 1zgw s PHE 54 Ca 0.19 -0.39 0.05 0.00 0.12 0.00 0.00 56.93 56.90 1zgw s PHE 54 Cb 0.05 -1.19 -0.04 0.00 -0.57 0.00 0.00 43.02 41.27 1zgw s PHE 54 CO 0.10 0.33 -0.12 0.71 -0.10 0.00 0.00 175.22 176.13 1zgw s TYR 55 N -1.12 1.25 0.14 0.36 1.51 -0.55 -4.90 117.35 114.03 1zgw s TYR 55 Ca 0.13 -0.61 -0.11 0.00 -1.01 0.00 0.00 57.07 55.47 1zgw s TYR 55 Cb -0.10 -0.66 -0.06 0.00 -0.11 0.00 0.00 41.96 41.03 1zgw s TYR 55 CO 0.06 0.08 1.44 0.00 -1.11 0.00 0.00 175.55 176.02 1zgw h ALA 56 N 3.46 0.52 -2.44 3.71 0.00 -1.90 -0.89 119.26 121.73 1zgw h ALA 56 Ca -0.38 -0.49 -0.21 0.00 0.00 0.00 0.00 54.91 53.83 1zgw h ALA 56 Cb 1.19 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.73 1zgw h ALA 56 CO 0.53 0.68 -0.64 0.54 0.00 0.00 0.00 179.25 180.35 1zgw s ASN 57 N -6.90 0.40 0.55 0.00 2.20 -1.26 -3.47 114.94 106.45 1zgw s ASN 57 Ca -0.11 -1.24 0.29 0.00 -0.94 0.00 0.00 52.86 50.86 1zgw s ASN 57 Cb 0.11 0.29 1.61 0.00 -2.00 0.00 0.00 41.25 41.26 1zgw s ASN 57 CO 0.89 -0.73 2.14 0.00 -2.94 0.00 0.00 177.10 176.46 1zgw h ALA 58 N 2.79 1.35 -0.19 3.54 0.00 -1.92 -1.89 119.26 122.94 1zgw h ALA 58 Ca -0.36 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 1zgw h ALA 58 Cb 1.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1zgw h ALA 58 CO 0.58 0.09 -0.55 1.03 0.00 0.00 0.00 179.25 180.41 1zgw h SER 59 N 0.00 0.64 -0.15 0.00 0.87 -1.96 0.66 113.55 113.60 1zgw h SER 59 Ca -0.00 -0.34 -0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1zgw h SER 59 Cb 0.21 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1zgw h SER 59 CO 0.01 1.06 0.09 -0.08 -0.53 0.00 0.00 176.83 177.38 1zgw h GLU 60 N 0.44 0.21 -0.45 2.24 4.57 -1.76 1.20 114.58 121.04 1zgw h GLU 60 Ca 0.01 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1zgw h GLU 60 Cb 1.10 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.62 1zgw h GLU 60 CO 0.10 0.20 0.27 0.00 -1.18 0.00 0.00 179.01 178.41 1zgw h ALA 61 N 1.00 0.57 -0.01 2.92 0.00 -1.24 0.28 119.26 122.78 1zgw h ALA 61 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1zgw h ALA 61 Cb 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1zgw h ALA 61 CO -0.01 -0.04 0.01 -0.07 0.00 0.00 0.00 179.25 179.14 1zgw h LEU 62 N 0.55 0.00 -0.11 0.00 3.38 0.13 0.23 115.31 119.49 1zgw h LEU 62 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1zgw h LEU 62 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1zgw h LEU 62 CO -0.07 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.46 1zgw h ALA 63 N 1.99 1.00 0.00 1.53 0.00 0.49 -3.08 119.26 121.20 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 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 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 -2.02 2.54 -1.92 0.00 0.00 0.81 -4.84 120.51 115.08 1zgw n ALA 64 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1zgw n ALA 64 Cb 0.48 -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 0.87 3.74 0.00 0.00 -1.16 -5.07 105.19 104.32 1zgw n GLY 65 Ca 0.20 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.55 2.71 -0.31 1.61 0.08 -1.23 -5.01 117.98 113.27 1zgw s PHE 66 Ca 0.00 -0.40 -0.10 0.00 0.12 0.00 0.00 56.93 56.55 1zgw s PHE 66 Cb 0.00 -1.69 -0.01 0.00 -0.57 0.00 0.00 43.02 40.75 1zgw s PHE 66 CO 0.00 0.30 0.17 1.03 -0.10 0.00 0.00 175.22 176.62 1zgw s ARG 67 N -3.87 3.42 0.31 0.44 0.52 0.12 -4.69 118.95 115.19 1zgw s ARG 67 Ca 0.38 -0.67 -0.30 0.00 -0.52 0.00 0.00 55.73 54.63 1zgw s ARG 67 Cb -0.02 -3.61 -0.11 0.00 0.52 0.00 0.00 34.95 31.73 1zgw s ARG 67 CO 0.23 -0.40 1.55 -1.25 0.02 0.00 0.00 175.30 175.45 1zgw s PRO 68 N 1.64 4.14 0.02 3.54 0.04 -1.26 -3.70 135.00 139.42 1zgw s PRO 68 Ca 0.05 2.54 -0.30 0.00 0.04 0.00 0.00 61.00 63.32 1zgw s PRO 68 Cb -0.17 -3.02 -0.09 0.00 0.04 0.00 0.00 34.50 31.26 1zgw s PRO 68 CO 0.07 -0.58 1.98 0.00 0.04 0.00 0.00 177.00 178.52 1zgw n LYS 70 N 7.51 0.00 -0.06 0.00 3.00 -1.26 -0.15 118.16 127.20 1zgw n LYS 70 Ca 0.21 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.44 1zgw n LYS 70 Cb 0.40 -1.47 -0.07 0.00 0.00 0.00 0.00 35.03 33.89 1zgw n LYS 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1zgw n ARG 71 N -0.89 1.09 0.04 1.64 3.00 -1.26 -4.35 116.66 115.92 1zgw n ARG 71 Ca 0.00 0.04 0.12 0.00 -0.00 0.00 0.00 57.85 58.01 1zgw n ARG 71 Cb 0.00 -1.25 0.11 0.00 0.00 0.00 0.00 32.46 31.32 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 0.03 -0.00 0.00 5.75 -0.79 -3.37 115.11 116.73 1zgw h GLN 73 Ca 0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1zgw h GLN 73 Cb 0.70 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.27 1zgw h GLN 73 CO 0.00 1.02 -0.03 -0.35 -2.65 0.00 0.00 178.83 176.83 1zgw n PRO 74 N -4.38 0.61 -2.67 -2.39 -0.04 -1.26 -4.87 135.00 120.00 1zgw n PRO 74 Ca -0.28 -0.07 -0.23 0.00 -0.04 0.00 0.00 63.50 62.88 1zgw n PRO 74 Cb 0.68 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.75 1zgw n PRO 74 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1zgw s ASP 75 N -2.44 4.44 -0.14 3.54 -4.77 -1.23 -5.08 116.67 110.99 1zgw s ASP 75 Ca 0.32 -0.47 -0.11 0.00 -3.30 0.00 0.00 52.55 48.99 1zgw s ASP 75 Cb 0.21 0.08 -0.05 0.00 -1.09 0.00 0.00 42.92 42.07 1zgw s ASP 75 CO 0.45 -1.80 0.21 -0.54 0.70 0.00 0.00 175.17 174.19 1zgw s LYS 76 N -5.07 3.94 0.00 2.11 3.01 -1.26 -5.00 119.74 117.47 1zgw s LYS 76 Ca 0.66 -0.02 0.00 0.00 -1.01 0.00 0.00 55.97 55.59 1zgw s LYS 76 Cb -0.05 -3.32 0.00 0.00 -1.01 0.00 0.00 37.83 33.44 1zgw s LYS 76 CO 0.44 0.48 0.00 0.00 0.51 0.00 0.00 175.35 176.78 1zgw n ALA 77 N 2.84 0.00 0.03 5.17 0.00 -1.26 -4.61 120.51 122.67 1zgw n ALA 77 Ca -0.16 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.45 1zgw n ALA 77 Cb 0.53 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.64 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 0.05 0.00 0.00 -0.26 1.25 2.49 115.58 119.11 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 0.03 0.05 -0.81 -1.06 0.00 0.00 177.43 175.64 1zgw n PRO 79 N -4.42 0.01 -0.10 0.81 -0.04 -1.26 -2.64 135.00 127.36 1zgw n PRO 79 Ca 0.08 0.46 -0.04 0.00 -0.04 0.00 0.00 63.50 63.95 1zgw n PRO 79 Cb 0.50 -1.58 -0.03 0.00 -0.04 0.00 0.00 33.50 32.34 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 -0.06 -1.02 0.54 2.43 0.40 0.27 114.38 116.94 1zgw h ARG 80 Ca 0.00 0.00 0.25 0.00 -0.81 0.00 0.00 59.98 59.43 1zgw h ARG 80 Cb 0.11 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.58 1zgw h ARG 80 CO 0.00 -0.04 0.66 1.96 -1.51 0.00 0.00 179.97 181.04 1zgw h GLN 81 N -0.07 0.40 -0.31 0.20 4.20 -1.71 -0.29 115.11 117.53 1zgw h GLN 81 Ca 0.04 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.61 1zgw h GLN 81 Cb 0.17 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1zgw h GLN 81 CO -0.27 0.27 -0.28 0.45 -0.67 0.00 0.00 178.83 178.33 1zgw h HIS 82 N 0.41 0.88 0.00 2.96 3.86 -0.77 -0.70 115.15 121.80 1zgw h HIS 82 Ca 0.58 -0.26 -0.07 0.00 -1.16 0.00 0.00 60.37 59.46 1zgw h HIS 82 Cb 1.43 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.70 1zgw h HIS 82 CO -0.00 1.01 -0.33 -0.09 0.86 0.00 0.00 177.93 179.38 1zgw h ARG 83 N 0.50 0.00 0.00 2.45 2.43 0.75 -1.82 114.38 118.69 1zgw h ARG 83 Ca 0.05 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.04 1zgw h ARG 83 Cb 0.85 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.37 1zgw h ARG 83 CO 0.07 0.33 -0.87 1.25 -1.51 0.00 0.00 179.97 179.24 1zgw h LEU 84 N 0.00 0.00 -1.13 3.80 7.12 -0.92 -2.87 115.31 121.32 1zgw h LEU 84 Ca -0.00 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.99 1zgw h LEU 84 Cb 0.63 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.72 1zgw h LEU 84 CO 0.04 0.87 0.41 0.44 -0.13 0.00 0.00 178.44 180.07 1zgw h ASP 85 N 0.00 0.90 0.13 1.25 5.19 -0.29 -2.16 116.42 121.45 1zgw h ASP 85 Ca -0.01 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1zgw h ASP 85 Cb 1.56 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.83 1zgw h ASP 85 CO 0.11 0.72 -0.12 0.50 -3.12 0.00 0.00 179.24 177.34 1zgw h LYS 86 N 1.03 -0.26 -0.71 3.56 3.11 -1.24 -2.54 116.57 119.51 1zgw h LYS 86 Ca 0.26 0.02 0.14 0.00 -2.81 0.00 0.00 60.65 58.26 1zgw h LYS 86 Cb 0.01 0.06 -0.09 0.00 -1.00 0.00 0.00 32.23 31.21 1zgw h LYS 86 CO -0.04 -0.18 0.25 0.82 -2.81 0.00 0.00 179.45 177.49 1zgw h ILE 87 N -0.27 0.64 -0.71 2.00 1.08 -1.21 0.12 117.51 119.16 1zgw h ILE 87 Ca 0.00 -0.13 0.14 0.00 -0.39 0.00 0.00 64.86 64.48 1zgw h ILE 87 Cb 0.26 0.22 -0.10 0.00 -3.07 0.00 0.00 36.82 34.13 1zgw h ILE 87 CO -0.03 0.07 0.23 0.74 -0.69 0.00 0.00 178.15 178.47 1zgw h THR 88 N 0.38 0.62 -0.95 -0.27 2.02 -1.00 1.28 112.91 114.98 1zgw h THR 88 Ca 0.39 -0.12 0.11 0.00 0.77 0.00 0.00 66.41 67.56 1zgw h THR 88 Cb 0.60 0.23 -0.07 0.00 -1.74 0.00 0.00 68.15 67.17 1zgw h THR 88 CO -0.42 0.07 0.61 -0.74 0.37 0.00 0.00 175.52 175.41 1zgw h HIS 89 N 0.36 1.05 -0.89 3.16 -0.00 -0.53 0.57 115.15 118.87 1zgw h HIS 89 Ca 0.39 0.03 0.13 0.00 -0.00 0.00 0.00 60.37 60.91 1zgw h HIS 89 Cb 0.60 -0.34 -0.07 0.00 -0.00 0.00 0.00 27.41 27.60 1zgw h HIS 89 CO -0.21 0.45 0.57 0.00 -0.00 0.00 0.00 177.93 178.75 1zgw h ALA 90 N 1.54 1.77 0.72 5.26 0.00 0.23 -1.48 119.26 127.30 1zgw h ALA 90 Ca 0.46 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.34 1zgw h ALA 90 Cb 0.45 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1zgw h ALA 90 CO -0.22 0.01 -0.35 0.00 0.00 0.00 0.00 179.25 178.69 1zgw h ARG 92 N -1.09 -0.20 -0.77 0.00 1.12 -0.73 0.11 114.38 112.81 1zgw h ARG 92 Ca -0.10 0.01 0.12 0.00 -1.11 0.00 0.00 59.98 58.90 1zgw h ARG 92 Cb 0.77 0.05 -0.05 0.00 -0.01 0.00 0.00 29.97 30.72 1zgw h ARG 92 CO 0.16 -0.13 0.50 1.37 -3.11 0.00 0.00 179.97 178.76 1zgw h LEU 93 N -0.21 0.54 -0.12 3.80 8.10 -1.38 1.40 115.31 127.45 1zgw h LEU 93 Ca 0.09 0.02 0.00 0.00 0.11 0.00 0.00 57.88 58.10 1zgw h LEU 93 Cb 0.44 -0.09 0.00 0.00 -0.44 0.00 0.00 40.66 40.57 1zgw h LEU 93 CO -0.60 0.30 0.00 0.18 -4.11 0.00 0.00 178.44 174.21 1zgw n LEU 94 N -4.50 0.10 0.00 0.17 4.32 0.33 -2.67 117.00 114.75 1zgw n LEU 94 Ca 0.14 0.53 0.00 0.00 -0.02 0.00 0.00 56.01 56.65 1zgw n LEU 94 Cb 0.41 -0.52 0.00 0.00 -1.62 0.00 0.00 43.42 41.69 1zgw n LEU 94 CO 0.32 -0.33 0.01 1.21 -1.22 0.00 0.00 177.39 177.38 1zgw n GLU 95 N -1.61 1.43 -0.03 3.23 4.07 -0.41 -4.82 120.64 122.51 1zgw n GLU 95 Ca 0.03 -0.01 -0.22 0.00 -0.06 0.00 0.00 57.16 56.90 1zgw n GLU 95 Cb 0.16 -0.18 -0.13 0.00 -0.06 0.00 0.00 31.44 31.22 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 0.18 0.00 5.31 5.75 0.19 -3.48 115.11 123.06 1zgw h GLN 96 Ca 0.00 -0.31 0.00 0.00 -0.15 0.00 0.00 58.65 58.19 1zgw h GLN 96 Cb 0.05 0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.71 1zgw h GLN 96 CO 0.00 1.15 0.00 -0.85 -2.65 0.00 0.00 178.83 176.48 1zgw n GLU 97 N -3.82 2.50 -0.06 1.69 0.28 -1.09 -5.03 120.64 115.11 1zgw n GLU 97 Ca -0.32 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.62 1zgw n GLU 97 Cb 0.92 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.77 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 1.31 -2.15 3.84 -1.04 -1.26 -4.95 114.28 110.03 1zgw n THR 98 Ca 0.00 0.21 -0.40 0.00 -2.04 0.00 0.00 64.05 61.82 1zgw n THR 98 Cb 0.00 -2.13 -0.02 0.00 -1.82 0.00 0.00 70.33 66.36 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 -2.57 4.35 0.33 -2.82 0.04 -1.26 -4.98 135.00 128.08 1zgw s PRO 99 Ca -0.21 2.16 -0.27 0.00 0.04 0.00 0.00 61.00 62.72 1zgw s PRO 99 Cb 0.03 -3.05 -0.09 0.00 0.04 0.00 0.00 34.50 31.43 1zgw s PRO 99 CO 0.32 -0.17 1.00 0.08 0.04 0.00 0.00 177.00 178.26 1zgw s VAL 100 N -1.16 3.94 -0.51 -0.36 1.01 -1.26 -4.83 120.40 117.23 1zgw s VAL 100 Ca 0.49 1.67 -0.07 0.00 0.00 0.00 0.00 61.98 64.07 1zgw s VAL 100 Cb -0.39 -3.95 0.13 0.00 0.00 0.00 0.00 36.38 32.18 1zgw s VAL 100 CO 0.51 0.19 0.36 0.42 0.00 0.00 0.00 175.10 176.57 1zgw s THR 101 N -1.50 3.99 0.00 3.92 -4.23 -1.26 -4.54 115.64 112.02 1zgw s THR 101 Ca 0.50 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 1zgw s THR 101 Cb -0.23 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 69.98 1zgw s THR 101 CO 0.29 -0.79 0.00 -0.11 -0.54 0.00 0.00 174.62 173.47 1zgw n LEU 102 N 4.52 0.86 -0.34 4.79 -0.00 -1.26 -4.84 117.00 120.73 1zgw n LEU 102 Ca -0.02 0.00 0.16 0.00 -0.00 0.00 0.00 56.01 56.15 1zgw n LEU 102 Cb 0.41 0.00 0.31 0.00 -0.00 0.00 0.00 43.42 44.14 1zgw n LEU 102 CO 0.38 0.07 0.80 1.21 -0.00 0.00 0.00 177.39 179.85 1zgw n GLU 103 N -2.04 -0.08 -0.13 1.96 0.00 -1.26 0.15 120.64 119.24 1zgw n GLU 103 Ca 0.00 1.45 -0.10 0.00 0.00 0.00 0.00 57.16 58.51 1zgw n GLU 103 Cb 0.18 -2.33 -0.02 0.00 0.00 0.00 0.00 31.44 29.28 1zgw n GLU 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1zgw h ALA 104 N 1.95 0.49 0.00 4.31 0.00 -1.94 -0.98 119.26 123.08 1zgw h ALA 104 Ca 0.61 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 55.21 1zgw h ALA 104 Cb 1.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1zgw h ALA 104 CO -0.90 0.20 -0.46 -0.07 0.00 0.00 0.00 179.25 178.02 1zgw h LEU 105 N 0.45 0.00 0.03 0.00 4.07 -0.51 -2.13 115.31 117.22 1zgw h LEU 105 Ca 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.07 1zgw h LEU 105 Cb 0.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.11 1zgw h LEU 105 CO 0.01 0.46 -0.01 0.00 -1.08 0.00 0.00 178.44 177.82 1zgw h ALA 106 N 1.54 -0.04 -0.29 1.53 0.00 0.17 -2.31 119.26 119.87 1zgw h ALA 106 Ca -0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1zgw h ALA 106 Cb 1.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1zgw h ALA 106 CO 0.06 -0.31 -0.24 -0.44 0.00 0.00 0.00 179.25 178.32 1zgw h ASP 107 N -0.46 0.56 0.42 0.00 5.19 -1.20 0.12 116.42 121.05 1zgw h ASP 107 Ca -0.00 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.19 1zgw h ASP 107 Cb 0.44 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1zgw h ASP 107 CO 0.01 0.80 -0.20 -0.61 -3.12 0.00 0.00 179.24 176.11 1zgw h GLN 108 N 0.49 -0.54 0.00 3.56 4.15 -1.36 -3.06 115.11 118.35 1zgw h GLN 108 Ca 0.07 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1zgw h GLN 108 Cb 0.69 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.50 1zgw h GLN 108 CO 0.05 -0.26 0.00 0.28 -1.93 0.00 0.00 178.83 176.97 1zgw h VAL 109 N -0.78 0.00 -0.39 2.39 2.07 -1.44 -3.47 116.25 114.63 1zgw h VAL 109 Ca -0.06 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1zgw h VAL 109 Cb 0.53 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1zgw h VAL 109 CO 0.09 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 177.68 1zgw n ALA 110 N -1.98 -0.00 -2.23 1.67 0.00 0.29 -5.07 120.51 113.19 1zgw n ALA 110 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 1zgw n ALA 110 Cb 0.41 -0.50 -0.10 0.00 0.00 0.00 0.00 19.45 19.26 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 -4.39 1.09 0.96 0.00 0.23 -0.43 -5.01 119.30 111.75 1zgw s MET 111 Ca 0.00 -1.52 -0.13 0.00 -1.03 0.00 0.00 55.69 53.01 1zgw s MET 111 Cb -0.00 -0.20 0.17 0.00 -1.53 0.00 0.00 34.83 33.26 1zgw s MET 111 CO 0.00 -0.15 1.13 -1.12 -2.03 0.00 0.00 175.02 172.85 1zgw s SER 112 N -3.16 3.00 0.45 -1.18 0.01 -1.26 -4.44 113.70 107.12 1zgw s SER 112 Ca 0.24 0.99 0.17 0.00 1.31 0.00 0.00 55.95 58.66 1zgw s SER 112 Cb 0.06 -1.56 1.06 0.00 0.21 0.00 0.00 66.02 65.78 1zgw s SER 112 CO 0.04 -2.87 1.99 1.55 0.41 0.00 0.00 173.24 174.35 1zgw h PRO 113 N -1.72 0.00 -0.37 12.44 0.13 -1.95 -1.66 132.00 138.87 1zgw h PRO 113 Ca -0.52 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.46 1zgw h PRO 113 Cb 1.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 1zgw h PRO 113 CO 0.58 0.19 -0.39 0.74 -0.23 0.00 0.00 178.00 178.90 1zgw h PHE 114 N 0.00 1.08 0.00 1.56 -1.00 -2.00 -2.19 116.94 114.39 1zgw h PHE 114 Ca -0.00 -0.32 -0.09 0.00 2.81 0.00 0.00 57.97 60.37 1zgw h PHE 114 Cb 0.36 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 1zgw h PHE 114 CO 0.00 1.14 -0.42 1.25 -1.61 0.00 0.00 178.31 178.67 1zgw h HIS 115 N 0.73 0.00 -0.67 -0.55 2.76 -1.68 -1.29 115.15 114.45 1zgw h HIS 115 Ca 0.06 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.19 1zgw h HIS 115 Cb 0.97 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.90 1zgw h HIS 115 CO 0.06 0.42 0.25 1.25 -1.30 0.00 0.00 177.93 178.61 1zgw h LEU 116 N 0.00 0.94 -0.64 0.26 7.12 -1.03 0.13 115.31 122.09 1zgw h LEU 116 Ca -0.00 -0.18 -0.01 0.00 0.13 0.00 0.00 57.88 57.82 1zgw h LEU 116 Cb 0.85 -0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 40.70 1zgw h LEU 116 CO 0.05 0.87 0.37 0.45 -0.13 0.00 0.00 178.44 180.05 1zgw h HIS 117 N 0.96 0.86 -0.72 1.25 3.86 -0.94 -0.21 115.15 120.21 1zgw h HIS 117 Ca 0.22 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.48 1zgw h HIS 117 Cb 0.23 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.38 1zgw h HIS 117 CO 0.02 0.60 0.47 -0.09 0.86 0.00 0.00 177.93 179.79 1zgw h ARG 118 N 0.87 0.74 -0.11 2.45 9.65 -0.08 -1.59 114.38 126.31 1zgw h ARG 118 Ca 0.23 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 59.03 1zgw h ARG 118 Cb 0.01 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 28.42 1zgw h ARG 118 CO -0.04 0.49 -0.07 1.25 2.80 0.00 0.00 179.97 184.40 1zgw h LEU 119 N 0.76 0.25 -1.00 3.80 7.12 0.38 -0.18 115.31 126.45 1zgw h LEU 119 Ca 0.31 -0.44 0.22 0.00 0.13 0.00 0.00 57.88 58.10 1zgw h LEU 119 Cb 0.24 -0.07 -0.12 0.00 -0.53 0.00 0.00 40.66 40.18 1zgw h LEU 119 CO -0.10 0.64 0.59 0.15 -0.13 0.00 0.00 178.44 179.59 1zgw h PHE 120 N -0.13 1.02 0.05 1.25 3.04 -0.26 0.15 116.94 122.06 1zgw h PHE 120 Ca 0.02 0.04 -0.26 0.00 3.98 0.00 0.00 57.97 61.75 1zgw h PHE 120 Cb 0.55 -0.30 0.02 0.00 2.56 0.00 0.00 35.95 38.78 1zgw h PHE 120 CO 0.08 0.13 -1.08 -0.22 -2.02 0.00 0.00 178.31 175.20 1zgw h LYS 121 N 0.65 0.54 0.62 1.11 3.11 -1.16 -1.17 116.57 120.26 1zgw h LYS 121 Ca 0.61 -0.64 -0.03 0.00 -2.81 0.00 0.00 60.65 57.79 1zgw h LYS 121 Cb 1.07 0.20 -0.00 0.00 -1.00 0.00 0.00 32.23 32.49 1zgw h LYS 121 CO -0.44 1.25 -0.36 0.00 -2.81 0.00 0.00 179.45 177.09 1zgw h ALA 122 N 0.51 -0.93 0.55 5.00 0.00 0.11 1.22 119.26 125.71 1zgw h ALA 122 Ca -0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1zgw h ALA 122 Cb 1.74 0.44 0.01 0.00 0.00 0.00 0.00 17.79 19.97 1zgw h ALA 122 CO 0.20 -1.04 -0.27 1.15 0.00 0.00 0.00 179.25 179.30 1zgw h THR 123 N -0.92 0.00 -1.14 0.00 2.02 -0.92 -2.87 112.91 109.08 1zgw h THR 123 Ca -0.08 -0.43 0.32 0.00 0.77 0.00 0.00 66.41 67.00 1zgw h THR 123 Cb 0.74 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.08 1zgw h THR 123 CO 0.09 0.00 0.80 0.00 0.37 0.00 0.00 175.52 176.78 1zgw h THR 124 N -1.17 0.43 0.00 3.16 1.03 -1.28 -3.46 112.91 111.62 1zgw h THR 124 Ca -0.08 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 66.28 1zgw h THR 124 Cb 0.57 0.31 0.00 0.00 -1.07 0.00 0.00 68.15 67.96 1zgw h THR 124 CO 0.12 0.02 0.00 0.61 -0.01 0.00 0.00 175.52 176.27 1zgw n GLY 125 N -1.68 3.08 2.69 2.99 0.00 0.41 -4.93 105.19 107.75 1zgw n GLY 125 Ca 0.26 -1.03 -0.06 0.00 0.00 0.00 0.00 46.02 45.18 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 1.16 -2.97 1.61 0.00 -0.72 -4.65 117.12 111.55 1zgw n MET 126 Ca 0.00 -1.68 0.03 0.00 0.00 0.00 0.00 57.70 56.05 1zgw n MET 126 Cb 0.00 0.02 0.00 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 0.18 -0.45 0.00 2.03 2.01 -1.26 -4.98 115.64 113.17 1zgw s THR 127 Ca 0.19 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.19 1zgw s THR 127 Cb 0.38 -0.12 0.00 0.00 0.01 0.00 0.00 72.50 72.77 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 4.26 0.00 0.33 4.92 -0.04 -1.26 -2.86 135.00 140.35 1zgw n PRO 128 Ca 0.07 0.00 0.20 0.00 -0.04 0.00 0.00 63.50 63.74 1zgw n PRO 128 Cb 0.60 0.00 1.13 0.00 -0.04 0.00 0.00 33.50 35.19 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 3.64 -1.94 -1.78 116.57 116.65 1zgw h LYS 129 Ca 0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1zgw h LYS 129 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1zgw h LYS 129 CO 0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 179.45 176.97 1zgw h ALA 130 N 2.00 0.53 -0.41 5.00 0.00 -1.96 -1.64 119.26 122.79 1zgw h ALA 130 Ca 0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1zgw h ALA 130 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1zgw h ALA 130 CO -0.00 0.49 -0.01 2.35 0.00 0.00 0.00 179.25 182.08 1zgw h TRP 131 N 0.60 0.69 -0.48 0.00 -0.00 -1.18 0.18 115.95 115.77 1zgw h TRP 131 Ca 0.08 -0.09 0.02 0.00 -0.00 0.00 0.00 58.89 58.91 1zgw h TRP 131 Cb 0.76 -0.19 -0.03 0.00 -0.00 0.00 0.00 29.16 29.70 1zgw h TRP 131 CO 0.06 0.67 0.28 0.37 -0.00 0.00 0.00 178.44 179.81 1zgw h GLN 132 N 0.62 0.54 -0.37 2.65 4.15 -1.28 -0.41 115.11 121.01 1zgw h GLN 132 Ca 0.13 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.44 1zgw h GLN 132 Cb 0.41 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 1zgw h GLN 132 CO 0.02 0.35 -0.05 0.37 -1.93 0.00 0.00 178.83 177.60 1zgw h GLN 133 N 0.55 0.68 0.53 1.69 4.15 -0.65 -2.12 115.11 119.94 1zgw h GLN 133 Ca 0.19 -0.24 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 1zgw h GLN 133 Cb 0.03 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 1zgw h GLN 133 CO -0.09 0.81 -0.38 0.00 -1.93 0.00 0.00 178.83 177.24 1zgw h ALA 134 N 0.84 -0.91 -0.69 3.38 0.00 -0.54 0.19 119.26 121.53 1zgw h ALA 134 Ca 0.10 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.99 1zgw h ALA 134 Cb 0.53 0.50 -0.12 0.00 0.00 0.00 0.00 17.79 18.70 1zgw h ALA 134 CO 0.03 -1.04 -0.07 -1.49 0.00 0.00 0.00 179.25 176.68 1zgw h TRP 135 N -0.88 -0.18 -0.93 0.00 -0.00 -1.09 0.40 115.95 113.27 1zgw h TRP 135 Ca -0.06 0.06 0.04 0.00 -0.00 0.00 0.00 58.89 58.93 1zgw h TRP 135 Cb 0.74 0.19 -0.06 0.00 -0.00 0.00 0.00 29.16 30.03 1zgw h TRP 135 CO -0.14 -0.25 0.61 -0.09 -0.00 0.00 0.00 178.44 178.57 1zgw h ARG 136 N 0.06 1.10 -0.20 0.49 2.43 -0.73 1.56 114.38 119.09 1zgw h ARG 136 Ca 0.36 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.36 1zgw h ARG 136 Cb 0.59 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1zgw h ARG 136 CO -0.65 0.73 -0.31 0.00 -1.51 0.00 0.00 179.97 178.23 1zgw h ALA 137 N 1.47 1.09 0.00 2.80 0.00 0.29 -3.03 119.26 121.88 1zgw h ALA 137 Ca 0.38 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1zgw h ALA 137 Cb 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1zgw h ALA 137 CO -0.13 0.57 -1.03 -2.13 0.00 0.00 0.00 179.25 176.53 1zgw n ARG 138 N -4.09 0.16 0.00 0.00 0.63 -0.44 -5.10 116.66 107.82 1zgw n ARG 138 Ca -0.01 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1zgw n ARG 138 Cb 0.43 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 31.86 1zgw n ARG 138 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99