#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 0.00 -1.67 0.03 4.76 -1.26 -4.89 118.16 115.13 1zgw n LYS 2 Ca 0.00 0.00 -0.57 0.00 -2.87 0.00 0.00 58.31 54.87 1zgw n LYS 2 Cb 0.00 -0.18 -0.07 0.00 -1.84 0.00 0.00 35.03 32.94 1zgw n LYS 2 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1zgw n LYS 3 N 0.00 1.07 0.00 1.97 0.00 -1.26 -4.94 118.16 115.01 1zgw n LYS 3 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 58.31 58.69 1zgw n LYS 3 Cb 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 35.03 32.93 1zgw n LYS 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1zgw n ALA 4 N 5.90 0.00 -0.35 3.14 0.00 -1.26 -4.61 120.51 123.33 1zgw n ALA 4 Ca 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.72 1zgw n ALA 4 Cb 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.41 1.29 -1.53 0.00 -2.24 -1.26 -4.66 114.28 105.47 1zgw n THR 5 Ca 0.00 -0.40 -0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1zgw n THR 5 Cb 0.00 -1.38 -0.00 0.00 -2.10 0.00 0.00 70.33 66.85 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 0.03 0.00 -3.48 0.00 0.00 -1.26 -5.01 117.00 107.27 1zgw n LEU 7 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 56.01 55.61 1zgw n LEU 7 Cb 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.41 1zgw n LEU 7 CO 0.01 0.00 3.09 0.41 0.00 0.00 0.00 177.39 180.90 1zgw n THR 8 N 0.00 3.92 -0.39 1.96 -1.04 -1.26 -4.63 114.28 112.83 1zgw n THR 8 Ca 0.00 -2.73 0.38 0.00 -2.04 0.00 0.00 64.05 59.66 1zgw n THR 8 Cb 0.00 -2.61 0.77 0.00 -1.82 0.00 0.00 70.33 66.67 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 5.46 0.00 -0.40 8.00 3.04 -1.97 1.01 116.42 131.56 1zgw h ASP 9 Ca 0.74 0.00 0.02 0.00 -3.24 0.00 0.00 57.03 54.56 1zgw h ASP 9 Cb 0.43 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.69 1zgw h ASP 9 CO 1.83 -0.00 0.22 0.44 -2.04 0.00 0.00 179.24 179.69 1zgw h ASP 10 N 0.00 0.34 0.80 4.15 3.32 -2.00 0.32 116.42 123.36 1zgw h ASP 10 Ca 0.63 0.01 -0.24 0.00 0.02 0.00 0.00 57.03 57.45 1zgw h ASP 10 Cb 2.52 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 41.99 1zgw h ASP 10 CO -0.01 0.25 -1.23 -0.61 -1.72 0.00 0.00 179.24 175.92 1zgw h GLN 11 N 0.45 0.05 -0.90 3.56 4.15 0.47 -2.24 115.11 120.64 1zgw h GLN 11 Ca 0.16 -0.08 0.16 0.00 0.77 0.00 0.00 58.65 59.66 1zgw h GLN 11 Cb 0.04 0.03 -0.10 0.00 0.21 0.00 0.00 27.48 27.66 1zgw h GLN 11 CO -0.09 0.92 0.49 0.00 -1.93 0.00 0.00 178.83 178.22 1zgw h ARG 12 N 0.01 0.64 -0.74 1.69 2.47 0.07 1.70 114.38 120.23 1zgw h ARG 12 Ca -0.11 -0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.54 1zgw h ARG 12 Cb 1.87 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 30.01 1zgw h ARG 12 CO 0.13 0.43 0.31 2.35 0.56 0.00 0.00 179.97 183.74 1zgw h TRP 13 N 0.66 1.12 -0.04 3.04 -0.00 -0.25 0.53 115.95 121.01 1zgw h TRP 13 Ca 0.50 -0.08 -0.00 0.00 -0.00 0.00 0.00 58.89 59.31 1zgw h TRP 13 Cb 0.74 -0.34 -0.00 0.00 -0.00 0.00 0.00 29.16 29.56 1zgw h TRP 13 CO -0.07 0.85 0.02 0.37 -0.00 0.00 0.00 178.44 179.61 1zgw h GLN 14 N 1.06 0.05 0.00 2.65 5.75 0.27 0.25 115.11 125.15 1zgw h GLN 14 Ca 0.25 -0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 58.53 1zgw h GLN 14 Cb 0.19 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.73 1zgw h GLN 14 CO -0.02 0.04 -0.93 0.77 -2.65 0.00 0.00 178.83 176.04 1zgw h SER 15 N 0.05 0.46 0.69 -0.69 0.02 0.29 0.59 113.55 114.97 1zgw h SER 15 Ca 0.01 -0.37 -0.07 0.00 -0.84 0.00 0.00 61.79 60.52 1zgw h SER 15 Cb 0.00 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1zgw h SER 15 CO -0.00 1.17 -0.34 0.58 -1.14 0.00 0.00 176.83 177.10 1zgw h VAL 16 N 0.20 0.91 0.01 2.27 2.07 0.27 0.08 116.25 122.06 1zgw h VAL 16 Ca -0.07 -1.35 -0.34 0.00 0.82 0.00 0.00 66.70 65.76 1zgw h VAL 16 Cb 1.57 1.81 -0.06 0.00 -1.52 0.00 0.00 31.29 33.09 1zgw h VAL 16 CO 0.16 0.34 -2.09 0.18 0.02 0.00 0.00 177.57 176.17 1zgw n LEU 17 N -3.65 0.99 0.05 2.57 4.77 0.59 -3.90 117.00 118.43 1zgw n LEU 17 Ca -0.01 0.17 0.11 0.00 -0.03 0.00 0.00 56.01 56.25 1zgw n LEU 17 Cb 0.45 0.02 0.44 0.00 -2.33 0.00 0.00 43.42 42.01 1zgw n LEU 17 CO 0.36 0.55 0.84 0.00 -1.33 0.00 0.00 177.39 177.81 1zgw n ALA 18 N -2.76 1.92 -3.28 -1.18 0.00 0.21 -4.88 120.51 110.53 1zgw n ALA 18 Ca -0.28 -0.02 -0.22 0.00 0.00 0.00 0.00 53.44 52.92 1zgw n ALA 18 Cb 1.09 -1.37 0.06 0.00 0.00 0.00 0.00 19.45 19.23 1zgw n ALA 18 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1zgw n ARG 19 N -1.80 -6.21 -1.82 0.00 1.85 -0.05 -4.87 116.66 103.76 1zgw n ARG 19 Ca 0.04 0.80 -0.43 0.00 -1.00 0.00 0.00 57.85 57.26 1zgw n ARG 19 Cb 0.27 -5.60 -0.03 0.00 -1.05 0.00 0.00 32.46 26.05 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 -3.06 5.70 0.00 2.89 2.15 -0.82 -4.70 116.67 118.83 1zgw s ASP 20 Ca 0.43 1.58 0.07 0.00 0.43 0.00 0.00 52.55 55.06 1zgw s ASP 20 Cb -0.19 -2.52 0.41 0.00 -0.30 0.00 0.00 42.92 40.32 1zgw s ASP 20 CO 0.54 -1.81 0.90 -0.81 -0.17 0.00 0.00 175.17 173.82 1zgw n PRO 21 N 8.56 0.55 -0.00 4.34 -0.04 -1.26 -1.70 135.00 145.45 1zgw n PRO 21 Ca 0.26 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.79 1zgw n PRO 21 Cb 0.46 -1.20 -0.08 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 -0.70 0.81 -0.20 3.54 5.15 -1.26 -4.24 115.26 118.36 1zgw n ASN 22 Ca 0.05 -0.70 0.05 0.00 -0.60 0.00 0.00 54.58 53.38 1zgw n ASN 22 Cb 0.02 1.10 -0.01 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 -1.42 3.00 -2.59 5.20 0.00 -0.69 -4.78 120.51 119.23 1zgw n ALA 23 Ca 0.02 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.61 1zgw n ALA 23 Cb 0.24 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.27 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 7.22 0.00 0.00 2.15 -1.06 -2.08 116.67 121.33 1zgw s ASP 24 Ca 0.08 1.75 0.00 0.00 0.43 0.00 0.00 52.55 54.81 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 -0.40 0.00 0.61 -0.17 0.00 0.00 175.17 175.52 1zgw n GLY 25 N 3.09 2.89 0.07 2.66 0.00 -1.26 0.41 105.19 113.05 1zgw n GLY 25 Ca 0.08 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 0.03 -4.40 1.61 4.81 -1.67 -3.45 114.58 111.51 1zgw h GLU 26 Ca 0.00 -0.05 -0.21 0.00 -0.13 0.00 0.00 59.36 58.97 1zgw h GLU 26 Cb 0.00 0.02 -0.14 0.00 0.63 0.00 0.00 28.75 29.26 1zgw h GLU 26 CO 0.00 1.00 -0.51 -0.59 -0.73 0.00 0.00 179.01 178.19 1zgw s PHE 27 N -2.33 1.01 0.41 0.92 -0.71 -1.00 -4.34 117.98 111.94 1zgw s PHE 27 Ca -0.18 -1.25 0.03 0.00 -1.04 0.00 0.00 56.93 54.49 1zgw s PHE 27 Cb -0.02 -0.40 -0.03 0.00 -1.21 0.00 0.00 43.02 41.35 1zgw s PHE 27 CO 0.70 -0.73 0.08 0.14 -1.34 0.00 0.00 175.22 174.08 1zgw s VAL 28 N -4.10 0.95 -0.05 -2.49 -7.23 -0.05 -4.24 120.40 103.19 1zgw s VAL 28 Ca 0.35 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.51 1zgw s VAL 28 Cb 0.05 -2.44 0.03 0.00 0.56 0.00 0.00 36.38 34.58 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 -3.12 0.24 -0.34 2.82 -0.12 -1.25 -1.61 117.98 114.60 1zgw s PHE 29 Ca 0.23 0.14 -0.12 0.00 -0.05 0.00 0.00 56.93 57.12 1zgw s PHE 29 Cb 0.04 -0.57 -0.01 0.00 -0.63 0.00 0.00 43.02 41.85 1zgw s PHE 29 CO 0.12 -0.23 0.23 0.00 -0.05 0.00 0.00 175.22 175.29 1zgw s ALA 30 N 2.10 3.46 -0.43 1.99 0.00 0.96 -3.86 121.76 125.98 1zgw s ALA 30 Ca 0.05 -1.42 -0.24 0.00 0.00 0.00 0.00 51.96 50.35 1zgw s ALA 30 Cb -0.12 -2.64 0.02 0.00 0.00 0.00 0.00 23.12 20.38 1zgw s ALA 30 CO -0.04 -1.01 0.81 0.08 0.00 0.00 0.00 175.76 175.60 1zgw s VAL 31 N 1.70 4.64 0.18 0.00 1.01 0.44 -0.88 120.40 127.49 1zgw s VAL 31 Ca 0.06 0.60 0.35 0.00 0.00 0.00 0.00 61.98 62.99 1zgw s VAL 31 Cb -0.18 -4.31 0.40 0.00 0.00 0.00 0.00 36.38 32.29 1zgw s VAL 31 CO 0.10 -0.67 2.04 0.03 0.00 0.00 0.00 175.10 176.60 1zgw h ARG 32 N 8.87 0.00 -0.15 2.72 3.08 0.13 0.27 114.38 129.30 1zgw h ARG 32 Ca -0.25 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.74 1zgw h ARG 32 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 1zgw h ARG 32 CO 0.96 0.00 -0.20 0.00 -1.07 0.00 0.00 179.97 179.66 1zgw h THR 33 N 0.00 1.22 -0.01 2.04 1.03 -1.91 -3.08 112.91 112.20 1zgw h THR 33 Ca -0.00 -0.99 0.00 0.00 -0.01 0.00 0.00 66.41 65.41 1zgw h THR 33 Cb 0.44 1.33 0.00 0.00 -1.07 0.00 0.00 68.15 68.85 1zgw h THR 33 CO 0.00 0.30 0.00 1.07 -0.01 0.00 0.00 175.52 176.88 1zgw n THR 34 N -4.20 0.24 -3.12 0.00 5.66 -0.96 -4.99 114.28 106.90 1zgw n THR 34 Ca -0.01 -0.62 -0.23 0.00 -3.05 0.00 0.00 64.05 60.15 1zgw n THR 34 Cb 0.33 0.91 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 -0.02 -0.53 3.46 1.09 0.00 0.88 -4.85 105.19 105.23 1zgw n GLY 35 Ca 0.01 0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.20 1.89 0.01 -0.61 1.01 -0.82 0.29 121.20 119.77 1zgw s ILE 36 Ca 0.35 -2.18 -0.10 0.00 0.00 0.00 0.00 60.65 58.72 1zgw s ILE 36 Cb -0.16 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.86 1zgw s ILE 36 CO 0.43 -0.30 0.21 0.72 0.00 0.00 0.00 174.94 176.01 1zgw s PHE 37 N -2.85 -0.02 0.37 3.97 -0.12 -1.25 0.17 117.98 118.24 1zgw s PHE 37 Ca 0.30 -0.06 0.07 0.00 -0.05 0.00 0.00 56.93 57.19 1zgw s PHE 37 Cb 0.02 0.01 -0.01 0.00 -0.63 0.00 0.00 43.02 42.41 1zgw s PHE 37 CO 0.13 -0.37 0.45 1.03 -0.05 0.00 0.00 175.22 176.40 1zgw s ARG 39 N -1.82 2.87 0.36 1.99 0.52 -1.26 -3.81 118.95 117.80 1zgw s ARG 39 Ca -0.11 -1.21 0.27 0.00 -0.52 0.00 0.00 55.73 54.15 1zgw s ARG 39 Cb -0.04 -2.67 1.25 0.00 0.52 0.00 0.00 34.95 34.01 1zgw s ARG 39 CO 0.00 -0.06 1.80 -1.00 0.02 0.00 0.00 175.30 176.06 1zgw h PRO 40 N 0.91 0.00 -0.28 3.54 0.13 -1.84 -2.74 132.00 131.73 1zgw h PRO 40 Ca -0.43 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.54 1zgw h PRO 40 Cb 1.26 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.30 1zgw h PRO 40 CO 0.52 0.00 -0.24 -1.13 -0.23 0.00 0.00 178.00 176.92 1zgw n SER 41 N -2.45 2.42 -4.52 1.44 3.41 -1.26 -3.05 113.62 109.61 1zgw n SER 41 Ca 0.00 -3.83 -0.46 0.00 -0.26 0.00 0.00 58.87 54.32 1zgw n SER 41 Cb 0.16 -0.60 -0.02 0.00 -0.26 0.00 0.00 64.21 63.49 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 0.91 2.23 -0.10 0.00 1.85 -1.26 -4.63 116.66 115.66 1zgw n ARG 43 Ca 0.13 -1.94 -0.21 0.00 -1.00 0.00 0.00 57.85 54.83 1zgw n ARG 43 Cb 0.29 -1.45 -0.11 0.00 -1.05 0.00 0.00 32.46 30.14 1zgw n ARG 43 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1zgw n ALA 44 N 1.32 0.77 0.00 2.89 0.00 -1.26 -5.10 120.51 119.13 1zgw n ALA 44 Ca 0.14 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1zgw n ALA 44 Cb 0.58 -0.48 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 -4.06 0.00 3.00 -1.26 -5.19 116.66 102.05 1zgw n ARG 45 Ca -0.31 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.46 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 0.45 0.15 -0.14 3.76 -1.26 -4.96 115.29 111.29 1zgw s HIS 46 Ca 0.00 -0.93 0.11 0.00 -0.15 0.00 0.00 55.06 54.09 1zgw s HIS 46 Cb 0.00 -0.33 -0.04 0.00 1.11 0.00 0.00 32.58 33.32 1zgw s HIS 46 CO 0.00 -0.34 -0.26 0.00 -0.85 0.00 0.00 174.74 173.29 1zgw s ALA 47 N -3.34 2.41 0.98 -1.40 0.00 -1.26 -5.12 121.76 114.03 1zgw s ALA 47 Ca 0.02 -1.51 -0.15 0.00 0.00 0.00 0.00 51.96 50.31 1zgw s ALA 47 Cb 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1zgw s ALA 47 CO -0.08 0.50 0.08 1.28 0.00 0.00 0.00 175.76 177.54 1zgw n LEU 48 N 0.72 -1.61 0.21 0.00 4.77 -1.26 -4.83 117.00 115.00 1zgw n LEU 48 Ca -0.16 0.24 0.05 0.00 -0.03 0.00 0.00 56.01 56.10 1zgw n LEU 48 Cb 0.54 -1.08 0.47 0.00 -2.33 0.00 0.00 43.42 41.02 1zgw n LEU 48 CO 0.25 -3.99 0.88 -0.09 -1.33 0.00 0.00 177.39 173.11 1zgw h ARG 49 N -1.50 0.03 -0.65 3.23 2.43 -2.00 -3.18 114.38 112.73 1zgw h ARG 49 Ca -0.45 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 58.78 1zgw h ARG 49 Cb 1.30 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.76 1zgw h ARG 49 CO 0.32 0.23 -0.38 -1.91 -1.51 0.00 0.00 179.97 176.72 1zgw n GLU 50 N -4.29 -0.29 -0.49 0.20 0.00 -1.26 0.12 120.64 114.64 1zgw n GLU 50 Ca -0.02 1.24 0.05 0.00 0.00 0.00 0.00 57.16 58.43 1zgw n GLU 50 Cb 0.27 -1.83 0.25 0.00 0.00 0.00 0.00 31.44 30.12 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 -4.51 3.64 -4.34 4.31 3.02 -1.22 -4.84 115.26 111.32 1zgw n ASN 51 Ca 0.01 -2.43 -0.34 0.00 -0.03 0.00 0.00 54.58 51.79 1zgw n ASN 51 Cb 0.17 -0.54 -0.14 0.00 -0.61 0.00 0.00 39.78 38.66 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 -1.92 3.14 0.47 2.41 1.01 0.32 0.16 120.40 125.99 1zgw s VAL 52 Ca 0.34 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.75 1zgw s VAL 52 Cb 0.24 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1zgw s VAL 52 CO 0.13 0.49 0.03 -0.94 0.00 0.00 0.00 175.10 174.81 1zgw s SER 53 N 0.83 4.07 0.11 3.32 1.04 -0.06 -4.83 113.70 118.18 1zgw s SER 53 Ca -0.03 -1.52 0.09 0.00 0.48 0.00 0.00 55.95 54.97 1zgw s SER 53 Cb -0.15 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 1zgw s SER 53 CO 0.01 -0.71 -0.22 -0.36 0.98 0.00 0.00 173.24 172.94 1zgw s PHE 54 N -2.80 1.93 0.11 5.02 0.08 -1.26 -0.03 117.98 121.03 1zgw s PHE 54 Ca 0.18 -0.41 0.05 0.00 0.12 0.00 0.00 56.93 56.87 1zgw s PHE 54 Cb 0.05 -1.05 -0.04 0.00 -0.57 0.00 0.00 43.02 41.41 1zgw s PHE 54 CO 0.10 0.25 -0.12 0.71 -0.10 0.00 0.00 175.22 176.06 1zgw s TYR 55 N -1.17 1.20 0.13 0.36 1.51 -0.63 -4.89 117.35 113.86 1zgw s TYR 55 Ca 0.09 -0.61 -0.11 0.00 -1.01 0.00 0.00 57.07 55.43 1zgw s TYR 55 Cb -0.10 -0.64 -0.07 0.00 -0.11 0.00 0.00 41.96 41.04 1zgw s TYR 55 CO 0.05 0.06 1.44 0.00 -1.11 0.00 0.00 175.55 175.99 1zgw h ALA 56 N 3.57 0.51 -2.32 3.71 0.00 -1.90 -0.10 119.26 122.73 1zgw h ALA 56 Ca -0.38 -0.49 -0.22 0.00 0.00 0.00 0.00 54.91 53.82 1zgw h ALA 56 Cb 1.19 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.74 1zgw h ALA 56 CO 0.51 0.68 -0.66 0.54 0.00 0.00 0.00 179.25 180.32 1zgw s ASN 57 N -6.91 0.77 0.56 0.00 2.20 -1.26 -3.77 114.94 106.53 1zgw s ASN 57 Ca -0.11 -1.14 0.30 0.00 -0.94 0.00 0.00 52.86 50.97 1zgw s ASN 57 Cb 0.11 0.19 1.65 0.00 -2.00 0.00 0.00 41.25 41.19 1zgw s ASN 57 CO 0.89 -0.62 2.15 0.00 -2.94 0.00 0.00 177.10 176.58 1zgw h ALA 58 N 2.85 1.32 -0.21 3.54 0.00 -1.92 -2.01 119.26 122.82 1zgw h ALA 58 Ca -0.36 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 1zgw h ALA 58 Cb 1.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1zgw h ALA 58 CO 0.62 0.09 -0.53 1.03 0.00 0.00 0.00 179.25 180.45 1zgw h SER 59 N 0.00 0.69 -0.10 0.00 0.87 -1.96 0.82 113.55 113.88 1zgw h SER 59 Ca -0.00 -0.36 -0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1zgw h SER 59 Cb 0.21 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1zgw h SER 59 CO 0.01 1.09 0.05 -0.08 -0.53 0.00 0.00 176.83 177.38 1zgw h GLU 60 N 0.49 0.14 -0.69 2.24 4.57 -1.79 1.25 114.58 120.79 1zgw h GLU 60 Ca 0.01 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1zgw h GLU 60 Cb 1.09 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.61 1zgw h GLU 60 CO 0.10 0.18 0.45 0.00 -1.18 0.00 0.00 179.01 178.56 1zgw h ALA 61 N 0.95 0.88 0.00 2.92 0.00 -1.24 0.22 119.26 122.99 1zgw h ALA 61 Ca 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1zgw h ALA 61 Cb 0.08 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1zgw h ALA 61 CO -0.01 0.26 -0.11 -0.07 0.00 0.00 0.00 179.25 179.33 1zgw h LEU 62 N 0.90 0.00 -0.00 0.00 3.38 0.17 0.21 115.31 119.96 1zgw h LEU 62 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1zgw h LEU 62 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1zgw h LEU 62 CO -0.08 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1zgw h ALA 63 N 1.89 1.00 0.00 1.53 0.00 0.46 -3.11 119.26 121.03 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 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1zgw h ALA 63 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1zgw n ALA 64 N -1.87 2.54 -1.66 0.00 0.00 0.06 -4.83 120.51 114.75 1zgw n ALA 64 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1zgw n ALA 64 Cb 0.46 -1.45 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 0.75 0.94 3.59 0.00 0.00 -1.17 -5.08 105.19 104.22 1zgw n GLY 65 Ca 0.21 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.50 2.61 -0.27 1.61 0.40 -1.22 -4.96 117.98 113.65 1zgw s PHE 66 Ca 0.00 -0.24 -0.11 0.00 -0.60 0.00 0.00 56.93 55.98 1zgw s PHE 66 Cb 0.00 -1.20 -0.05 0.00 0.51 0.00 0.00 43.02 42.28 1zgw s PHE 66 CO 0.00 0.59 0.19 1.03 0.70 0.00 0.00 175.22 177.73 1zgw s ARG 67 N -3.32 3.99 0.35 0.44 1.81 0.15 -4.63 118.95 117.73 1zgw s ARG 67 Ca 0.29 -0.29 -0.29 0.00 -1.72 0.00 0.00 55.73 53.72 1zgw s ARG 67 Cb -0.07 -3.62 -0.11 0.00 -0.45 0.00 0.00 34.95 30.70 1zgw s ARG 67 CO 0.17 -0.11 1.45 -1.25 -0.68 0.00 0.00 175.30 174.88 1zgw s PRO 68 N 1.57 4.18 -0.04 3.54 0.04 -1.26 -3.81 135.00 139.21 1zgw s PRO 68 Ca 0.08 2.47 -0.30 0.00 0.04 0.00 0.00 61.00 63.29 1zgw s PRO 68 Cb -0.15 -3.01 -0.07 0.00 0.04 0.00 0.00 34.50 31.31 1zgw s PRO 68 CO 0.09 -0.46 1.90 0.00 0.04 0.00 0.00 177.00 178.57 1zgw n LYS 70 N 7.63 0.00 -0.08 0.00 3.00 -1.26 0.57 118.16 128.02 1zgw n LYS 70 Ca 0.21 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.42 1zgw n LYS 70 Cb 0.42 -1.48 -0.09 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 0.92 0.08 1.64 3.00 -1.26 -4.31 116.66 115.83 1zgw n ARG 71 Ca 0.00 0.06 0.11 0.00 -0.00 0.00 0.00 57.85 58.03 1zgw n ARG 71 Cb 0.00 -1.33 -0.02 0.00 0.00 0.00 0.00 32.46 31.11 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 0.32 0.02 0.00 4.15 -0.11 -3.36 115.11 116.13 1zgw h GLN 73 Ca 0.00 -0.55 -0.26 0.00 0.77 0.00 0.00 58.65 58.62 1zgw h GLN 73 Cb 0.97 0.20 0.02 0.00 0.21 0.00 0.00 27.48 28.88 1zgw h GLN 73 CO 0.00 1.26 -1.04 -1.00 -1.93 0.00 0.00 178.83 176.12 1zgw h PRO 74 N -0.32 0.59 -7.63 -2.39 0.13 -1.75 -3.46 132.00 117.17 1zgw h PRO 74 Ca -0.15 -0.66 -0.43 0.00 -0.87 0.00 0.00 66.00 63.89 1zgw h PRO 74 Cb 1.68 0.19 0.18 0.00 0.13 0.00 0.00 31.00 33.18 1zgw h PRO 74 CO 0.16 1.26 0.29 0.16 -0.23 0.00 0.00 178.00 179.64 1zgw s ASP 75 N -7.24 2.04 -0.04 1.44 1.47 -1.24 -5.06 116.67 108.05 1zgw s ASP 75 Ca -0.08 0.41 0.05 0.00 1.18 0.00 0.00 52.55 54.11 1zgw s ASP 75 Cb 0.07 -0.53 -0.02 0.00 -0.34 0.00 0.00 42.92 42.10 1zgw s ASP 75 CO 0.91 -3.41 -0.18 -0.54 0.68 0.00 0.00 175.17 172.63 1zgw s LYS 76 N -5.68 2.39 0.00 2.11 1.02 -1.26 -4.93 119.74 113.39 1zgw s LYS 76 Ca 0.73 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.96 1zgw s LYS 76 Cb -0.06 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 1zgw s LYS 76 CO 0.54 0.61 0.00 0.00 -0.92 0.00 0.00 175.35 175.58 1zgw n ALA 77 N 2.34 0.00 0.09 5.17 0.00 -1.26 -4.03 120.51 122.82 1zgw n ALA 77 Ca -0.17 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.41 1zgw n ALA 77 Cb 0.52 0.00 0.64 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 0.05 0.00 0.00 -0.26 0.77 1.48 115.58 117.61 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 0.06 1.55 -1.06 0.00 0.00 177.43 178.01 1zgw h PRO 79 N 0.06 0.00 0.00 0.81 0.13 -1.85 -2.92 132.00 128.22 1zgw h PRO 79 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1zgw h PRO 79 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1zgw h PRO 79 CO -0.01 0.00 0.00 -2.13 -0.23 0.00 0.00 178.00 175.63 1zgw n ARG 80 N -2.51 0.00 -0.37 0.86 3.00 0.51 -0.76 116.66 117.38 1zgw n ARG 80 Ca -0.02 0.69 0.29 0.00 -0.00 0.00 0.00 57.85 58.81 1zgw n ARG 80 Cb 0.10 -1.37 0.58 0.00 0.00 0.00 0.00 32.46 31.77 1zgw n ARG 80 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1zgw h GLN 81 N 0.00 0.24 -0.08 -0.14 4.20 -1.69 -0.67 115.11 116.97 1zgw h GLN 81 Ca 0.00 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 1zgw h GLN 81 Cb 0.00 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 1zgw h GLN 81 CO 0.00 0.16 -0.07 1.25 -0.67 0.00 0.00 178.83 179.50 1zgw h HIS 82 N 0.25 0.23 0.00 2.96 2.76 -1.37 -0.96 115.15 119.01 1zgw h HIS 82 Ca 0.67 -0.07 -0.06 0.00 -2.20 0.00 0.00 60.37 58.71 1zgw h HIS 82 Cb 1.95 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 30.86 1zgw h HIS 82 CO -0.00 0.61 -0.26 -0.09 -1.30 0.00 0.00 177.93 176.88 1zgw h ARG 83 N -0.22 0.00 0.00 5.26 9.65 0.45 -1.69 114.38 127.83 1zgw h ARG 83 Ca 0.01 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.71 1zgw h ARG 83 Cb 0.57 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.12 1zgw h ARG 83 CO 0.02 0.26 -0.87 -0.07 2.80 0.00 0.00 179.97 182.12 1zgw h LEU 84 N 0.00 0.00 -1.26 3.80 -0.00 -1.11 -2.61 115.31 114.13 1zgw h LEU 84 Ca -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.88 1zgw h LEU 84 Cb 0.60 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.22 1zgw h LEU 84 CO 0.03 0.87 0.50 0.44 -0.00 0.00 0.00 178.44 180.28 1zgw h ASP 85 N 0.00 0.87 -0.21 -0.43 3.32 -0.26 -1.77 116.42 117.94 1zgw h ASP 85 Ca -0.01 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.04 1zgw h ASP 85 Cb 1.56 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.87 1zgw h ASP 85 CO 0.11 0.63 0.08 0.50 -1.72 0.00 0.00 179.24 178.84 1zgw h LYS 86 N 1.02 0.18 -0.75 3.56 1.63 -1.07 -2.31 116.57 118.83 1zgw h LYS 86 Ca 0.28 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1zgw h LYS 86 Cb -0.12 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.43 1zgw h LYS 86 CO -0.06 0.12 0.47 0.82 -3.45 0.00 0.00 179.45 177.35 1zgw h ILE 87 N 0.18 1.20 -0.89 2.00 1.08 -1.14 -0.28 117.51 119.66 1zgw h ILE 87 Ca 0.09 -0.41 0.12 0.00 -0.39 0.00 0.00 64.86 64.27 1zgw h ILE 87 Cb 0.05 0.13 -0.08 0.00 -3.07 0.00 0.00 36.82 33.85 1zgw h ILE 87 CO -0.09 0.21 0.51 0.74 -0.69 0.00 0.00 178.15 178.83 1zgw h THR 88 N 1.02 0.85 -0.99 -0.27 2.02 -0.87 1.17 112.91 115.85 1zgw h THR 88 Ca 0.27 -0.27 0.10 0.00 0.77 0.00 0.00 66.41 67.27 1zgw h THR 88 Cb -0.07 -0.01 -0.08 0.00 -1.74 0.00 0.00 68.15 66.25 1zgw h THR 88 CO -0.05 0.15 0.63 -0.74 0.37 0.00 0.00 175.52 175.88 1zgw h HIS 89 N 0.80 1.15 -0.63 3.16 6.17 -0.68 0.89 115.15 126.01 1zgw h HIS 89 Ca 0.45 0.03 0.14 0.00 0.71 0.00 0.00 60.37 61.70 1zgw h HIS 89 Cb 0.50 -0.37 -0.04 0.00 2.52 0.00 0.00 27.41 30.03 1zgw h HIS 89 CO -0.05 0.52 0.43 0.00 0.71 0.00 0.00 177.93 179.54 1zgw h ALA 90 N 1.51 2.23 0.26 5.26 0.00 0.18 0.11 119.26 128.81 1zgw h ALA 90 Ca 0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 1zgw h ALA 90 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1zgw h ALA 90 CO -0.22 -0.40 -0.12 0.00 0.00 0.00 0.00 179.25 178.51 1zgw h ARG 92 N -0.43 -0.59 -0.82 0.00 2.43 -0.35 -1.63 114.38 113.00 1zgw h ARG 92 Ca -0.04 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 1zgw h ARG 92 Cb 0.32 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.95 1zgw h ARG 92 CO 0.06 -0.39 0.53 -0.07 -1.51 0.00 0.00 179.97 178.59 1zgw h LEU 93 N -0.61 0.70 -0.13 3.80 4.07 -1.26 1.81 115.31 123.69 1zgw h LEU 93 Ca 0.03 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1zgw h LEU 93 Cb 0.69 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.30 1zgw h LEU 93 CO -0.39 0.42 0.00 0.18 -1.08 0.00 0.00 178.44 177.57 1zgw n LEU 94 N -4.51 0.11 0.00 1.67 4.77 -0.40 -2.92 117.00 115.73 1zgw n LEU 94 Ca 0.14 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1zgw n LEU 94 Cb 0.31 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1zgw n LEU 94 CO 0.32 -0.33 0.00 1.21 -1.33 0.00 0.00 177.39 177.27 1zgw n GLU 95 N -1.63 1.48 -0.11 3.23 4.07 -0.55 -4.88 120.64 122.26 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 0.17 -0.16 -0.11 0.00 -0.06 0.00 0.00 31.44 31.28 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 -0.21 0.57 0.00 5.31 -0.06 0.61 -4.98 117.38 118.61 1zgw n GLN 96 Ca 0.00 0.56 0.00 0.00 -2.00 0.00 0.00 57.00 55.56 1zgw n GLN 96 Cb 0.02 -1.73 0.00 0.00 -4.06 0.00 0.00 30.24 24.46 1zgw n GLN 96 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 1zgw n GLU 97 N -4.42 2.50 -0.02 3.69 -0.00 -1.15 -5.03 120.64 116.21 1zgw n GLU 97 Ca -0.34 0.00 -0.02 0.00 -0.00 0.00 0.00 57.16 56.80 1zgw n GLU 97 Cb 0.70 0.00 -0.01 0.00 -0.00 0.00 0.00 31.44 32.13 1zgw n GLU 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1zgw n THR 98 N 0.00 0.50 -2.01 3.84 -1.04 -1.26 -4.93 114.28 109.39 1zgw n THR 98 Ca 0.00 0.32 -0.42 0.00 -2.04 0.00 0.00 64.05 61.90 1zgw n THR 98 Cb 0.00 -1.65 -0.03 0.00 -1.82 0.00 0.00 70.33 66.83 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 -1.59 4.22 0.32 -2.82 0.04 -1.26 -4.97 135.00 128.93 1zgw s PRO 99 Ca -0.08 2.22 -0.27 0.00 0.04 0.00 0.00 61.00 62.92 1zgw s PRO 99 Cb 0.01 -3.65 -0.09 0.00 0.04 0.00 0.00 34.50 30.80 1zgw s PRO 99 CO 0.11 -0.71 0.99 0.08 0.04 0.00 0.00 177.00 177.51 1zgw s VAL 100 N 2.81 3.98 -0.48 -0.36 1.01 -1.26 -4.92 120.40 121.17 1zgw s VAL 100 Ca 0.71 1.71 -0.06 0.00 0.00 0.00 0.00 61.98 64.34 1zgw s VAL 100 Cb -0.37 -3.98 0.12 0.00 0.00 0.00 0.00 36.38 32.16 1zgw s VAL 100 CO 0.30 0.19 0.31 0.42 0.00 0.00 0.00 175.10 176.33 1zgw s THR 101 N -1.50 3.81 0.00 3.92 -4.23 -1.26 -4.61 115.64 111.77 1zgw s THR 101 Ca 0.50 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 1zgw s THR 101 Cb -0.22 -3.54 0.00 0.00 1.34 0.00 0.00 72.50 70.08 1zgw s THR 101 CO 0.28 -0.76 0.00 -0.11 -0.54 0.00 0.00 174.62 173.49 1zgw n LEU 102 N 4.57 0.40 -0.33 4.79 -0.00 -1.26 -4.80 117.00 120.38 1zgw n LEU 102 Ca -0.03 0.00 0.23 0.00 -0.00 0.00 0.00 56.01 56.21 1zgw n LEU 102 Cb 0.41 0.00 0.43 0.00 -0.00 0.00 0.00 43.42 44.26 1zgw n LEU 102 CO 0.37 -0.13 0.93 -0.08 -0.00 0.00 0.00 177.39 178.48 1zgw h GLU 103 N 0.00 0.01 -0.49 1.96 4.57 -1.98 0.43 114.58 119.09 1zgw h GLU 103 Ca 0.00 -0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 1zgw h GLU 103 Cb 0.37 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 1zgw h GLU 103 CO 0.00 0.01 0.06 0.00 -1.18 0.00 0.00 179.01 177.90 1zgw h ALA 104 N 1.99 0.65 -0.23 2.92 0.00 -1.93 0.12 119.26 122.79 1zgw h ALA 104 Ca 0.72 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 55.17 1zgw h ALA 104 Cb 1.70 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1zgw h ALA 104 CO -0.85 0.41 -0.65 1.25 0.00 0.00 0.00 179.25 179.41 1zgw h LEU 105 N 0.69 0.96 -0.69 0.00 5.85 -0.64 -2.12 115.31 119.37 1zgw h LEU 105 Ca 0.15 -0.57 -0.09 0.00 0.84 0.00 0.00 57.88 58.21 1zgw h LEU 105 Cb 0.43 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1zgw h LEU 105 CO 0.01 1.37 -0.01 0.00 -0.34 0.00 0.00 178.44 179.47 1zgw h ALA 106 N 0.64 0.89 -0.61 1.25 0.00 -0.52 -2.09 119.26 118.82 1zgw h ALA 106 Ca -0.02 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 1zgw h ALA 106 Cb 1.27 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1zgw h ALA 106 CO 0.14 0.65 0.00 -0.44 0.00 0.00 0.00 179.25 179.61 1zgw h ASP 107 N 0.92 1.05 -0.33 0.00 3.32 -0.71 0.18 116.42 120.85 1zgw h ASP 107 Ca 0.17 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 1zgw h ASP 107 Cb 0.55 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1zgw h ASP 107 CO 0.03 1.10 0.04 -0.61 -1.72 0.00 0.00 179.24 178.08 1zgw h GLN 108 N 0.97 0.56 0.00 3.56 4.15 -1.16 -2.86 115.11 120.32 1zgw h GLN 108 Ca 0.17 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1zgw h GLN 108 Cb 0.56 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.18 1zgw h GLN 108 CO 0.03 0.65 0.00 0.28 -1.93 0.00 0.00 178.83 177.86 1zgw h VAL 109 N 0.38 0.00 -0.23 2.39 2.07 -1.30 -3.47 116.25 116.08 1zgw h VAL 109 Ca 0.10 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1zgw h VAL 109 Cb 0.37 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1zgw h VAL 109 CO 0.01 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.59 1zgw n ALA 110 N -1.83 -0.01 -2.32 1.67 0.00 0.44 -5.06 120.51 113.40 1zgw n ALA 110 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.33 1zgw n ALA 110 Cb 0.44 -0.54 -0.10 0.00 0.00 0.00 0.00 19.45 19.24 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 -4.19 1.32 0.96 0.00 0.23 -0.05 -5.01 119.30 112.55 1zgw s MET 111 Ca 0.00 -1.67 -0.13 0.00 -1.03 0.00 0.00 55.69 52.86 1zgw s MET 111 Cb -0.00 -0.51 0.16 0.00 -1.53 0.00 0.00 34.83 32.95 1zgw s MET 111 CO 0.00 -0.14 1.12 -1.54 -2.03 0.00 0.00 175.02 172.44 1zgw s SER 112 N -3.29 3.06 0.47 -1.18 1.04 -1.26 -4.27 113.70 108.27 1zgw s SER 112 Ca 0.29 1.02 0.18 0.00 0.48 0.00 0.00 55.95 57.92 1zgw s SER 112 Cb 0.06 -1.61 1.12 0.00 0.10 0.00 0.00 66.02 65.69 1zgw s SER 112 CO 0.09 -2.84 2.01 1.55 0.98 0.00 0.00 173.24 175.03 1zgw h PRO 113 N -1.69 0.00 -0.32 4.02 0.13 -1.94 -1.60 132.00 130.59 1zgw h PRO 113 Ca -0.52 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.49 1zgw h PRO 113 Cb 1.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1zgw h PRO 113 CO 0.59 0.17 -0.28 0.74 -0.23 0.00 0.00 178.00 179.00 1zgw h PHE 114 N 0.00 0.90 0.00 1.56 -1.00 -2.00 -2.30 116.94 114.09 1zgw h PHE 114 Ca -0.00 -0.26 -0.05 0.00 2.81 0.00 0.00 57.97 60.46 1zgw h PHE 114 Cb 0.32 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 1zgw h PHE 114 CO 0.00 1.02 -0.26 1.25 -1.61 0.00 0.00 178.31 178.71 1zgw h HIS 115 N 0.52 0.00 -0.65 -0.55 2.76 -1.70 -1.59 115.15 113.93 1zgw h HIS 115 Ca 0.06 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.15 1zgw h HIS 115 Cb 0.85 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.78 1zgw h HIS 115 CO 0.07 0.26 0.11 1.25 -1.30 0.00 0.00 177.93 178.32 1zgw h LEU 116 N 0.00 1.04 -0.55 0.26 7.12 -1.02 0.10 115.31 122.27 1zgw h LEU 116 Ca -0.00 -0.26 -0.01 0.00 0.13 0.00 0.00 57.88 57.74 1zgw h LEU 116 Cb 0.73 -0.28 -0.03 0.00 -0.53 0.00 0.00 40.66 40.55 1zgw h LEU 116 CO 0.03 1.04 0.31 0.45 -0.13 0.00 0.00 178.44 180.14 1zgw h HIS 117 N 1.00 0.73 -0.64 1.25 3.86 -0.86 -0.36 115.15 120.13 1zgw h HIS 117 Ca 0.20 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.48 1zgw h HIS 117 Cb 0.44 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.63 1zgw h HIS 117 CO 0.03 0.52 0.43 0.00 0.86 0.00 0.00 177.93 179.77 1zgw h ARG 118 N 0.73 0.56 -0.06 2.45 2.47 -0.34 -1.67 114.38 118.51 1zgw h ARG 118 Ca 0.19 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.85 1zgw h ARG 118 Cb 0.02 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.21 1zgw h ARG 118 CO -0.03 0.37 -0.06 1.25 0.56 0.00 0.00 179.97 182.06 1zgw h LEU 119 N 0.58 0.16 -1.15 3.04 7.12 0.42 -0.64 115.31 124.84 1zgw h LEU 119 Ca 0.29 -0.48 0.23 0.00 0.13 0.00 0.00 57.88 58.05 1zgw h LEU 119 Cb 0.37 -0.05 -0.11 0.00 -0.53 0.00 0.00 40.66 40.35 1zgw h LEU 119 CO -0.09 0.60 0.62 0.15 -0.13 0.00 0.00 178.44 179.60 1zgw h PHE 120 N -0.28 0.90 -0.09 1.25 3.04 -0.25 0.17 116.94 121.67 1zgw h PHE 120 Ca 0.01 0.03 -0.21 0.00 3.98 0.00 0.00 57.97 61.78 1zgw h PHE 120 Cb 0.56 -0.26 0.01 0.00 2.56 0.00 0.00 35.95 38.82 1zgw h PHE 120 CO 0.09 0.13 -0.77 -0.22 -2.02 0.00 0.00 178.31 175.51 1zgw h LYS 121 N 0.58 0.69 0.29 1.11 3.64 -1.18 -0.55 116.57 121.14 1zgw h LYS 121 Ca 0.59 -0.62 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1zgw h LYS 121 Cb 1.19 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1zgw h LYS 121 CO -0.37 1.22 -0.16 0.00 -2.27 0.00 0.00 179.45 177.87 1zgw h ALA 122 N 0.48 -0.42 0.52 5.00 0.00 0.81 1.92 119.26 127.56 1zgw h ALA 122 Ca -0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1zgw h ALA 122 Cb 1.42 0.20 0.01 0.00 0.00 0.00 0.00 17.79 19.41 1zgw h ALA 122 CO 0.16 -0.74 -0.25 1.15 0.00 0.00 0.00 179.25 179.56 1zgw h THR 123 N -0.43 0.00 -0.87 0.00 2.02 -0.89 -2.98 112.91 109.77 1zgw h THR 123 Ca -0.03 -0.45 0.22 0.00 0.77 0.00 0.00 66.41 66.92 1zgw h THR 123 Cb 0.35 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.71 1zgw h THR 123 CO 0.04 0.00 0.60 0.00 0.37 0.00 0.00 175.52 176.53 1zgw h THR 124 N -1.15 0.63 0.00 3.16 1.03 -1.15 -3.46 112.91 111.97 1zgw h THR 124 Ca -0.07 -0.07 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 1zgw h THR 124 Cb 0.53 0.41 0.00 0.00 -1.07 0.00 0.00 68.15 68.02 1zgw h THR 124 CO 0.12 0.04 0.00 0.61 -0.01 0.00 0.00 175.52 176.27 1zgw n GLY 125 N -1.61 3.06 2.69 2.99 0.00 0.64 -4.95 105.19 108.02 1zgw n GLY 125 Ca 0.18 -1.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.12 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 1.20 -2.76 1.61 0.00 -0.81 -4.63 117.12 111.74 1zgw n MET 126 Ca 0.00 -2.03 -0.02 0.00 0.00 0.00 0.00 57.70 55.65 1zgw n MET 126 Cb 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 33.22 33.02 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 -0.36 -0.47 0.00 2.03 2.01 -1.26 -4.99 115.64 112.59 1zgw s THR 127 Ca 0.22 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 61.87 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 -0.07 0.00 0.00 -0.81 -0.69 0.00 0.00 174.62 173.05 1zgw n PRO 128 N 3.02 0.00 0.32 4.92 -0.04 -1.26 -3.07 135.00 138.89 1zgw n PRO 128 Ca 0.12 0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.77 1zgw n PRO 128 Cb 0.62 0.00 1.07 0.00 -0.04 0.00 0.00 33.50 35.14 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 -0.27 0.54 1.63 -1.89 -0.52 116.57 116.06 1zgw h LYS 129 Ca 0.00 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.68 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 0.91 -0.28 5.00 0.00 -1.94 -1.40 119.26 123.54 1zgw h ALA 130 Ca -0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1zgw h ALA 130 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1zgw h ALA 130 CO 0.00 0.62 -0.06 2.35 0.00 0.00 0.00 179.25 182.16 1zgw h TRP 131 N 0.49 0.46 -0.36 0.00 -0.00 -1.02 0.14 115.95 115.66 1zgw h TRP 131 Ca 0.05 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.89 58.86 1zgw h TRP 131 Cb 0.83 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.16 29.84 1zgw h TRP 131 CO 0.03 0.50 0.11 0.37 -0.00 0.00 0.00 178.44 179.46 1zgw h GLN 132 N 0.42 0.52 -0.19 2.65 -0.00 -1.17 0.53 115.11 117.87 1zgw h GLN 132 Ca 0.09 -0.08 -0.04 0.00 -0.00 0.00 0.00 58.65 58.62 1zgw h GLN 132 Cb 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.76 1zgw h GLN 132 CO 0.02 0.47 -0.04 0.37 0.00 0.00 0.00 178.83 179.65 1zgw h GLN 133 N 0.52 0.35 -0.98 1.69 4.15 0.23 -1.87 115.11 119.20 1zgw h GLN 133 Ca 0.12 -0.13 0.04 0.00 0.77 0.00 0.00 58.65 59.45 1zgw h GLN 133 Cb 0.17 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.78 1zgw h GLN 133 CO -0.01 0.60 0.64 0.00 -1.93 0.00 0.00 178.83 178.14 1zgw h ALA 134 N 0.74 1.38 -0.19 3.38 0.00 -0.31 0.69 119.26 124.95 1zgw h ALA 134 Ca 0.05 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1zgw h ALA 134 Cb 0.47 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1zgw h ALA 134 CO 0.02 0.52 -0.18 -1.49 0.00 0.00 0.00 179.25 178.11 1zgw h TRP 135 N 1.22 -0.47 0.00 0.00 -0.00 -0.63 0.34 115.95 116.41 1zgw h TRP 135 Ca 0.40 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 59.31 1zgw h TRP 135 Cb 0.04 0.24 -0.00 0.00 -0.00 0.00 0.00 29.16 29.43 1zgw h TRP 135 CO -0.00 -0.26 -0.04 -0.09 -0.00 0.00 0.00 178.44 178.05 1zgw h ARG 136 N -0.20 0.00 0.05 0.49 2.43 -0.31 0.25 114.38 117.09 1zgw h ARG 136 Ca 0.12 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 59.02 1zgw h ARG 136 Cb 0.38 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1zgw h ARG 136 CO -0.31 0.04 -1.11 0.00 -1.51 0.00 0.00 179.97 177.09 1zgw h ALA 137 N 1.96 0.15 0.00 2.80 0.00 0.18 -3.26 119.26 121.08 1zgw h ALA 137 Ca -0.00 -0.74 -0.18 0.00 0.00 0.00 0.00 54.91 53.99 1zgw h ALA 137 Cb 0.14 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1zgw h ALA 137 CO 0.01 0.75 -1.04 -0.09 0.00 0.00 0.00 179.25 178.88 1zgw h ARG 138 N 0.28 0.00 0.00 0.00 2.43 -0.36 -3.51 114.38 113.22 1zgw h ARG 138 Ca -0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1zgw h ARG 138 Cb 1.77 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.32 1zgw h ARG 138 CO 0.21 0.60 0.00 -2.13 -1.51 0.00 0.00 179.97 177.14