#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 -0.74 3.17 5.02 -1.26 -5.09 118.16 119.26 1zgw n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1zgw n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1zgw n LYS 2 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1zgw n LYS 3 N 0.00 2.41 0.00 1.97 4.01 -1.26 -4.87 118.16 120.43 1zgw n LYS 3 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1zgw n LYS 3 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1zgw n LYS 3 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1zgw n ALA 4 N -3.00 0.00 0.00 7.82 0.00 -1.26 -4.95 120.51 119.12 1zgw n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1zgw n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1zgw n ALA 4 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1zgw n THR 5 N 0.00 0.00 -1.53 0.00 -1.04 -1.26 -4.35 114.28 106.11 1zgw n THR 5 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1zgw n THR 5 Cb 0.00 -1.00 -0.00 0.00 -1.82 0.00 0.00 70.33 67.50 1zgw n THR 5 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1zgw n LEU 7 N 0.03 -1.95 -3.56 0.00 4.77 -1.26 -4.92 117.00 110.11 1zgw n LEU 7 Ca -0.01 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 1zgw n LEU 7 Cb 0.01 -0.98 -0.01 0.00 -2.33 0.00 0.00 43.42 40.11 1zgw n LEU 7 CO 0.01 0.00 2.56 0.41 -1.33 0.00 0.00 177.39 179.04 1zgw n THR 8 N -0.60 4.64 -0.64 -5.08 -1.04 -1.26 -4.73 114.28 105.56 1zgw n THR 8 Ca 0.00 -3.81 0.50 0.00 -2.04 0.00 0.00 64.05 58.70 1zgw n THR 8 Cb 0.11 -2.32 0.78 0.00 -1.82 0.00 0.00 70.33 67.08 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 3.10 0.06 0.22 8.00 5.75 -1.26 0.11 116.55 132.53 1zgw n ASP 9 Ca 0.60 1.11 -0.15 0.00 -0.01 0.00 0.00 54.79 56.33 1zgw n ASP 9 Cb 0.28 -0.55 -0.08 0.00 -1.03 0.00 0.00 41.12 39.74 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 -0.42 0.98 -1.12 5.19 -2.00 0.51 116.42 119.56 1zgw h ASP 10 Ca 0.92 0.02 -0.19 0.00 -0.62 0.00 0.00 57.03 57.16 1zgw h ASP 10 Cb 3.51 0.11 -0.03 0.00 0.18 0.00 0.00 39.33 43.10 1zgw h ASP 10 CO -0.14 -0.30 -1.07 -0.61 -3.12 0.00 0.00 179.24 174.00 1zgw h GLN 11 N -0.49 0.00 -0.79 3.56 5.75 0.36 -2.57 115.11 120.93 1zgw h GLN 11 Ca -0.05 0.00 0.14 0.00 -0.15 0.00 0.00 58.65 58.59 1zgw h GLN 11 Cb 0.38 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 28.84 1zgw h GLN 11 CO 0.08 0.68 0.36 0.00 -2.65 0.00 0.00 178.83 177.30 1zgw h ARG 12 N 0.00 0.51 -0.74 1.69 2.47 0.34 1.42 114.38 120.08 1zgw h ARG 12 Ca -0.08 -0.03 -0.05 0.00 -1.26 0.00 0.00 59.98 58.56 1zgw h ARG 12 Cb 1.70 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 29.87 1zgw h ARG 12 CO 0.09 0.34 0.28 2.35 0.56 0.00 0.00 179.97 183.60 1zgw h TRP 13 N 0.53 1.14 -0.00 3.04 -0.00 -0.83 0.18 115.95 120.01 1zgw h TRP 13 Ca 0.43 -0.09 -0.03 0.00 -0.00 0.00 0.00 58.89 59.20 1zgw h TRP 13 Cb 0.62 -0.34 -0.00 0.00 -0.00 0.00 0.00 29.16 29.44 1zgw h TRP 13 CO -0.13 0.88 -0.13 0.37 -0.00 0.00 0.00 178.44 179.43 1zgw h GLN 14 N 1.07 0.01 0.00 2.65 4.15 0.15 0.19 115.11 123.33 1zgw h GLN 14 Ca 0.25 -0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.53 1zgw h GLN 14 Cb 0.23 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 1zgw h GLN 14 CO -0.02 0.13 -0.63 0.77 -1.93 0.00 0.00 178.83 177.16 1zgw h SER 15 N 0.01 0.00 -0.11 -0.69 0.02 0.32 0.20 113.55 113.29 1zgw h SER 15 Ca -0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 1zgw h SER 15 Cb 0.23 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.78 1zgw h SER 15 CO 0.02 0.63 -0.78 0.58 -1.14 0.00 0.00 176.83 176.14 1zgw h VAL 16 N 0.00 1.30 0.12 2.27 2.07 0.21 0.22 116.25 122.44 1zgw h VAL 16 Ca -0.01 -2.00 -0.27 0.00 0.82 0.00 0.00 66.70 65.24 1zgw h VAL 16 Cb 1.16 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 1zgw h VAL 16 CO 0.08 0.63 -1.24 -0.07 0.02 0.00 0.00 177.57 176.98 1zgw h LEU 17 N 0.42 0.41 -0.09 2.57 3.38 -0.95 -3.17 115.31 117.88 1zgw h LEU 17 Ca -0.07 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1zgw h LEU 17 Cb 1.42 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1zgw h LEU 17 CO 0.16 1.35 0.00 0.00 0.09 0.00 0.00 178.44 180.03 1zgw n ALA 18 N -2.53 2.19 -3.32 1.53 0.00 0.68 -4.91 120.51 114.15 1zgw n ALA 18 Ca -0.08 -0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.16 1zgw n ALA 18 Cb 1.02 -1.45 0.06 0.00 0.00 0.00 0.00 19.45 19.08 1zgw n ALA 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1zgw n ARG 19 N -2.13 -6.04 -2.10 0.00 1.74 0.52 -4.90 116.66 103.74 1zgw n ARG 19 Ca 0.05 0.64 -0.43 0.00 -0.77 0.00 0.00 57.85 57.35 1zgw n ARG 19 Cb 0.38 -5.11 -0.02 0.00 -1.02 0.00 0.00 32.46 26.69 1zgw n ARG 19 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1zgw s ASP 20 N -3.35 6.05 0.00 0.55 2.15 0.19 -4.65 116.67 117.61 1zgw s ASP 20 Ca 0.40 1.20 0.05 0.00 0.43 0.00 0.00 52.55 54.62 1zgw s ASP 20 Cb -0.17 -2.53 0.27 0.00 -0.30 0.00 0.00 42.92 40.18 1zgw s ASP 20 CO 0.56 -1.60 0.67 -0.81 -0.17 0.00 0.00 175.17 173.82 1zgw n PRO 21 N 8.29 0.38 -0.00 4.34 -0.04 -1.26 -1.52 135.00 145.18 1zgw n PRO 21 Ca 0.21 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.77 1zgw n PRO 21 Cb 0.47 -1.19 -0.12 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.87 -0.21 3.54 5.15 -1.26 -3.99 115.26 118.67 1zgw n ASN 22 Ca 0.03 -0.86 0.06 0.00 -0.60 0.00 0.00 54.58 53.20 1zgw n ASN 22 Cb 0.02 1.11 -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 -1.59 3.03 -2.53 5.20 0.00 -0.58 -4.78 120.51 119.25 1zgw n ALA 23 Ca 0.03 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 1zgw n ALA 23 Cb 0.36 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.38 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 7.13 0.00 0.00 2.15 -1.19 -2.09 116.67 121.07 1zgw s ASP 24 Ca 0.08 1.76 0.00 0.00 0.43 0.00 0.00 52.55 54.83 1zgw s ASP 24 Cb 0.09 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1zgw s ASP 24 CO 0.32 -0.50 0.00 0.61 -0.17 0.00 0.00 175.17 175.43 1zgw n GLY 25 N 3.23 3.19 0.11 2.66 0.00 -1.26 0.41 105.19 113.53 1zgw n GLY 25 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1zgw n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1zgw h GLU 26 N 1.51 0.02 -4.58 1.61 4.57 -1.69 -3.45 114.58 112.58 1zgw h GLU 26 Ca 0.00 -0.04 -0.25 0.00 -1.18 0.00 0.00 59.36 57.89 1zgw h GLU 26 Cb 0.00 0.01 -0.15 0.00 -0.16 0.00 0.00 28.75 28.46 1zgw h GLU 26 CO 0.00 1.02 -0.60 -0.59 -1.18 0.00 0.00 179.01 177.66 1zgw s PHE 27 N -2.37 1.17 0.42 0.92 -0.12 -0.99 -4.32 117.98 112.69 1zgw s PHE 27 Ca -0.28 -1.38 0.03 0.00 -0.05 0.00 0.00 56.93 55.26 1zgw s PHE 27 Cb 0.05 -0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 41.87 1zgw s PHE 27 CO 0.61 -0.67 0.07 0.14 -0.05 0.00 0.00 175.22 175.33 1zgw s VAL 28 N -4.11 1.00 -0.05 -2.49 -7.23 -0.15 -4.35 120.40 103.02 1zgw s VAL 28 Ca 0.39 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.53 1zgw s VAL 28 Cb 0.06 -2.44 0.03 0.00 0.56 0.00 0.00 36.38 34.60 1zgw s VAL 28 CO 0.13 0.00 0.07 0.72 -0.31 0.00 0.00 175.10 175.71 1zgw s PHE 29 N -3.09 0.03 -0.36 2.82 -0.12 -1.25 -1.63 117.98 114.38 1zgw s PHE 29 Ca 0.22 0.31 -0.15 0.00 -0.05 0.00 0.00 56.93 57.26 1zgw s PHE 29 Cb 0.04 -0.45 -0.00 0.00 -0.63 0.00 0.00 43.02 41.98 1zgw s PHE 29 CO 0.12 -0.20 0.34 0.00 -0.05 0.00 0.00 175.22 175.42 1zgw s ALA 30 N 2.19 3.48 -0.57 1.99 0.00 0.14 -3.87 121.76 125.12 1zgw s ALA 30 Ca 0.05 -1.37 -0.22 0.00 0.00 0.00 0.00 51.96 50.42 1zgw s ALA 30 Cb -0.12 -2.83 0.06 0.00 0.00 0.00 0.00 23.12 20.22 1zgw s ALA 30 CO -0.03 -1.19 0.85 0.08 0.00 0.00 0.00 175.76 175.47 1zgw s VAL 31 N 1.92 4.53 0.35 0.00 1.01 0.40 -0.86 120.40 127.76 1zgw s VAL 31 Ca 0.10 -0.17 0.39 0.00 0.00 0.00 0.00 61.98 62.29 1zgw s VAL 31 Cb -0.17 -4.51 0.41 0.00 0.00 0.00 0.00 36.38 32.11 1zgw s VAL 31 CO 0.11 -1.12 2.16 0.03 0.00 0.00 0.00 175.10 176.28 1zgw h ARG 32 N 9.29 0.00 -0.15 2.72 3.08 0.12 0.27 114.38 129.70 1zgw h ARG 32 Ca -0.27 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.72 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 1.08 0.00 -0.15 0.00 -1.07 0.00 0.00 179.97 179.83 1zgw h THR 33 N 0.00 1.19 -0.01 2.04 1.03 -1.90 -3.03 112.91 112.23 1zgw h THR 33 Ca 0.00 -0.84 0.00 0.00 -0.01 0.00 0.00 66.41 65.56 1zgw h THR 33 Cb 0.26 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.59 1zgw h THR 33 CO 0.00 0.26 0.00 1.07 -0.01 0.00 0.00 175.52 176.84 1zgw n THR 34 N -4.26 0.17 -2.87 0.00 5.66 -0.76 -4.99 114.28 107.23 1zgw n THR 34 Ca -0.01 -0.59 -0.20 0.00 -3.05 0.00 0.00 64.05 60.21 1zgw n THR 34 Cb 0.28 0.93 0.03 0.00 -1.55 0.00 0.00 70.33 70.02 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 -0.40 3.46 1.09 0.00 0.87 -4.87 105.19 105.32 1zgw n GLY 35 Ca 0.01 0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.10 1.66 0.01 -0.61 1.01 -0.85 0.25 121.20 119.57 1zgw s ILE 36 Ca 0.24 -2.10 -0.12 0.00 0.00 0.00 0.00 60.65 58.66 1zgw s ILE 36 Cb -0.11 -2.57 0.01 0.00 0.01 0.00 0.00 42.46 39.81 1zgw s ILE 36 CO 0.30 -0.22 0.25 0.72 0.00 0.00 0.00 174.94 175.99 1zgw s PHE 37 N -2.99 -0.08 0.55 3.97 -0.12 -1.25 0.15 117.98 118.21 1zgw s PHE 37 Ca 0.31 0.05 0.07 0.00 -0.05 0.00 0.00 56.93 57.32 1zgw s PHE 37 Cb 0.05 0.04 0.06 0.00 -0.63 0.00 0.00 43.02 42.54 1zgw s PHE 37 CO 0.13 -0.39 0.58 1.03 -0.05 0.00 0.00 175.22 176.52 1zgw s ARG 39 N -1.68 2.29 0.53 1.99 0.52 -1.26 -3.81 118.95 117.53 1zgw s ARG 39 Ca -0.12 -1.83 0.32 0.00 -0.52 0.00 0.00 55.73 53.58 1zgw s ARG 39 Cb -0.05 -2.36 1.28 0.00 0.52 0.00 0.00 34.95 34.35 1zgw s ARG 39 CO 0.02 -0.71 1.96 -1.00 0.02 0.00 0.00 175.30 175.59 1zgw h PRO 40 N 0.50 0.00 -0.30 3.54 0.13 -1.82 -3.19 132.00 130.87 1zgw h PRO 40 Ca -0.34 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.63 1zgw h PRO 40 Cb 1.29 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.32 1zgw h PRO 40 CO 0.50 0.05 -0.23 -1.13 -0.23 0.00 0.00 178.00 176.96 1zgw n SER 41 N -3.17 2.50 -4.48 1.44 3.41 -1.26 -2.81 113.62 109.25 1zgw n SER 41 Ca 0.00 -3.83 -0.47 0.00 -0.26 0.00 0.00 58.87 54.32 1zgw n SER 41 Cb 0.33 -0.60 -0.02 0.00 -0.26 0.00 0.00 64.21 63.66 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 0.88 2.29 -0.10 0.00 1.85 -1.26 -4.58 116.66 115.74 1zgw n ARG 43 Ca 0.15 -1.95 -0.21 0.00 -1.00 0.00 0.00 57.85 54.84 1zgw n ARG 43 Cb 0.28 -1.46 -0.11 0.00 -1.05 0.00 0.00 32.46 30.12 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 1.34 0.78 0.00 2.89 0.00 -1.26 -5.10 120.51 119.16 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 0.59 -0.49 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 -3.00 -4.09 0.00 3.00 -1.26 -5.19 116.66 101.68 1zgw n ARG 45 Ca -0.31 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.46 1zgw n ARG 45 Cb 0.66 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 33.02 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 -2.15 0.54 0.17 -0.14 3.76 -1.26 -4.93 115.29 111.27 1zgw s HIS 46 Ca 0.00 -1.08 0.11 0.00 -0.15 0.00 0.00 55.06 53.95 1zgw s HIS 46 Cb 0.00 -0.39 -0.04 0.00 1.11 0.00 0.00 32.58 33.25 1zgw s HIS 46 CO 0.00 -0.39 -0.25 0.00 -0.85 0.00 0.00 174.74 173.25 1zgw s ALA 47 N -3.93 2.46 0.98 -1.40 0.00 -1.26 -5.12 121.76 113.50 1zgw s ALA 47 Ca 0.08 -1.58 -0.15 0.00 0.00 0.00 0.00 51.96 50.31 1zgw s ALA 47 Cb 0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1zgw s ALA 47 CO -0.09 0.46 -0.08 1.28 0.00 0.00 0.00 175.76 177.33 1zgw n LEU 48 N 0.49 -2.37 0.17 0.00 4.77 -1.26 -4.84 117.00 113.95 1zgw n LEU 48 Ca -0.14 0.25 0.01 0.00 -0.03 0.00 0.00 56.01 56.10 1zgw n LEU 48 Cb 0.55 -1.02 0.31 0.00 -2.33 0.00 0.00 43.42 40.93 1zgw n LEU 48 CO 0.27 -4.39 0.68 -0.09 -1.33 0.00 0.00 177.39 172.53 1zgw h ARG 49 N -1.39 0.03 -0.76 3.23 1.12 -2.00 -3.27 114.38 111.35 1zgw h ARG 49 Ca -0.44 -0.01 0.07 0.00 -1.11 0.00 0.00 59.98 58.49 1zgw h ARG 49 Cb 1.30 -0.00 -0.09 0.00 -0.01 0.00 0.00 29.97 31.16 1zgw h ARG 49 CO 0.30 0.44 -0.45 -1.91 -3.11 0.00 0.00 179.97 175.24 1zgw n GLU 50 N -4.04 -0.33 -0.41 0.20 0.00 -1.26 0.14 120.64 114.94 1zgw n GLU 50 Ca -0.02 1.31 0.05 0.00 0.00 0.00 0.00 57.16 58.50 1zgw n GLU 50 Cb 0.45 -1.93 0.21 0.00 0.00 0.00 0.00 31.44 30.17 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 -4.75 3.16 -4.46 4.31 3.02 -1.24 -4.85 115.26 110.45 1zgw n ASN 51 Ca 0.02 -2.36 -0.34 0.00 -0.03 0.00 0.00 54.58 51.87 1zgw n ASN 51 Cb 0.20 -0.51 -0.13 0.00 -0.61 0.00 0.00 39.78 38.73 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 -1.81 3.68 0.43 2.41 1.01 0.37 0.15 120.40 126.63 1zgw s VAL 52 Ca 0.29 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1zgw s VAL 52 Cb 0.20 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1zgw s VAL 52 CO 0.11 0.50 0.05 -0.94 0.00 0.00 0.00 175.10 174.82 1zgw s SER 53 N 0.43 3.35 0.11 3.32 1.04 -0.04 -4.84 113.70 117.07 1zgw s SER 53 Ca -0.05 -1.56 0.09 0.00 0.48 0.00 0.00 55.95 54.91 1zgw s SER 53 Cb -0.15 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 1zgw s SER 53 CO 0.03 -0.76 -0.22 -0.36 0.98 0.00 0.00 173.24 172.91 1zgw s PHE 54 N -3.03 1.92 0.10 5.02 0.08 -1.26 0.28 117.98 121.10 1zgw s PHE 54 Ca 0.22 -0.41 0.04 0.00 0.12 0.00 0.00 56.93 56.90 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 0.11 0.24 -0.11 0.71 -0.10 0.00 0.00 175.22 176.07 1zgw s TYR 55 N -1.15 1.16 0.14 0.36 2.02 -0.64 -4.90 117.35 114.34 1zgw s TYR 55 Ca 0.08 -0.62 -0.10 0.00 -0.37 0.00 0.00 57.07 56.06 1zgw s TYR 55 Cb -0.10 -0.63 -0.04 0.00 -0.40 0.00 0.00 41.96 40.80 1zgw s TYR 55 CO 0.05 0.05 1.47 0.00 -1.57 0.00 0.00 175.55 175.54 1zgw h ALA 56 N 3.58 0.57 -2.37 3.71 0.00 -1.90 -0.38 119.26 122.47 1zgw h ALA 56 Ca -0.38 -0.46 -0.21 0.00 0.00 0.00 0.00 54.91 53.85 1zgw h ALA 56 Cb 1.19 -0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.72 1zgw h ALA 56 CO 0.52 0.68 -0.65 0.54 0.00 0.00 0.00 179.25 180.33 1zgw s ASN 57 N -6.86 0.59 0.56 0.00 2.20 -1.26 -3.77 114.94 106.40 1zgw s ASN 57 Ca -0.11 -1.19 0.30 0.00 -0.94 0.00 0.00 52.86 50.93 1zgw s ASN 57 Cb 0.11 0.24 1.65 0.00 -2.00 0.00 0.00 41.25 41.25 1zgw s ASN 57 CO 0.88 -0.68 2.15 0.00 -2.94 0.00 0.00 177.10 176.51 1zgw h ALA 58 N 2.83 1.29 -0.20 3.54 0.00 -1.93 -1.96 119.26 122.83 1zgw h ALA 58 Ca -0.36 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.34 1zgw h ALA 58 Cb 1.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1zgw h ALA 58 CO 0.61 0.09 -0.52 1.03 0.00 0.00 0.00 179.25 180.46 1zgw h SER 59 N 0.00 0.62 -0.05 0.00 0.87 -1.96 0.86 113.55 113.89 1zgw h SER 59 Ca -0.00 -0.32 -0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1zgw h SER 59 Cb 0.22 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1zgw h SER 59 CO 0.01 1.02 0.02 -0.08 -0.53 0.00 0.00 176.83 177.28 1zgw h GLU 60 N 0.44 0.07 -0.70 2.24 4.57 -1.77 1.14 114.58 120.56 1zgw h GLU 60 Ca 0.02 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1zgw h GLU 60 Cb 1.05 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.59 1zgw h GLU 60 CO 0.10 0.15 0.46 0.00 -1.18 0.00 0.00 179.01 178.54 1zgw h ALA 61 N 0.91 0.89 0.00 2.92 0.00 -1.25 0.25 119.26 122.98 1zgw h ALA 61 Ca 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1zgw h ALA 61 Cb 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1zgw h ALA 61 CO -0.00 0.29 -0.09 -0.07 0.00 0.00 0.00 179.25 179.38 1zgw h LEU 62 N 0.93 0.00 -0.08 0.00 3.38 0.16 0.62 115.31 120.32 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 -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1zgw h LEU 62 CO -0.06 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.55 1zgw h ALA 63 N 1.91 1.00 0.00 1.53 0.00 0.46 -3.09 119.26 121.08 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 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 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 -1.95 2.62 -1.87 0.00 0.00 0.21 -4.85 120.51 114.67 1zgw n ALA 64 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1zgw n ALA 64 Cb 0.47 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 0.88 0.93 3.56 0.00 0.00 -1.17 -5.08 105.19 104.31 1zgw n GLY 65 Ca 0.22 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.74 2.48 -0.32 1.61 0.40 -1.23 -4.98 117.98 113.21 1zgw s PHE 66 Ca 0.00 -0.31 -0.12 0.00 -0.60 0.00 0.00 56.93 55.90 1zgw s PHE 66 Cb 0.00 -1.14 -0.03 0.00 0.51 0.00 0.00 43.02 42.36 1zgw s PHE 66 CO 0.00 0.65 0.23 1.03 0.70 0.00 0.00 175.22 177.82 1zgw s ARG 67 N -3.60 3.66 0.30 0.44 0.52 0.14 -4.67 118.95 115.74 1zgw s ARG 67 Ca 0.31 -0.53 -0.29 0.00 -0.52 0.00 0.00 55.73 54.70 1zgw s ARG 67 Cb -0.05 -3.76 -0.11 0.00 0.52 0.00 0.00 34.95 31.56 1zgw s ARG 67 CO 0.17 -0.35 1.49 -1.25 0.02 0.00 0.00 175.30 175.38 1zgw s PRO 68 N 1.74 4.19 0.01 3.54 0.04 -1.26 -3.78 135.00 139.48 1zgw s PRO 68 Ca 0.07 2.46 -0.30 0.00 0.04 0.00 0.00 61.00 63.26 1zgw s PRO 68 Cb -0.17 -3.04 -0.08 0.00 0.04 0.00 0.00 34.50 31.25 1zgw s PRO 68 CO 0.11 -0.50 1.91 0.00 0.04 0.00 0.00 177.00 178.55 1zgw n LYS 70 N 7.48 0.00 -0.04 0.00 4.81 -1.26 -0.64 118.16 128.51 1zgw n LYS 70 Ca 0.20 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.59 1zgw n LYS 70 Cb 0.42 -1.36 -0.04 0.00 0.02 0.00 0.00 35.03 34.06 1zgw n LYS 70 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1zgw n ARG 71 N -0.75 1.21 0.06 1.64 3.00 -1.26 -4.44 116.66 116.12 1zgw n ARG 71 Ca 0.00 0.03 0.03 0.00 -0.00 0.00 0.00 57.85 57.91 1zgw n ARG 71 Cb 0.00 -1.17 -0.06 0.00 0.00 0.00 0.00 32.46 31.23 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 0.37 0.03 0.00 4.15 -1.15 -3.37 115.11 115.15 1zgw h GLN 73 Ca -0.12 -0.63 -0.23 0.00 0.77 0.00 0.00 58.65 58.44 1zgw h GLN 73 Cb 1.43 0.23 -0.02 0.00 0.21 0.00 0.00 27.48 29.33 1zgw h GLN 73 CO 0.04 1.30 -1.12 -1.00 -1.93 0.00 0.00 178.83 176.11 1zgw h PRO 74 N -0.17 0.07 -7.62 -2.39 0.13 -1.77 -3.46 132.00 116.80 1zgw h PRO 74 Ca -0.23 -0.13 -0.43 0.00 -0.87 0.00 0.00 66.00 64.35 1zgw h PRO 74 Cb 1.86 0.05 0.18 0.00 0.13 0.00 0.00 31.00 33.22 1zgw h PRO 74 CO 0.17 1.02 0.28 0.16 -0.23 0.00 0.00 178.00 179.40 1zgw s ASP 75 N -6.78 1.95 -0.14 1.44 -4.77 -1.21 -5.05 116.67 102.12 1zgw s ASP 75 Ca -0.01 0.43 -0.03 0.00 -3.30 0.00 0.00 52.55 49.64 1zgw s ASP 75 Cb 0.09 -0.55 -0.03 0.00 -1.09 0.00 0.00 42.92 41.34 1zgw s ASP 75 CO 0.84 -3.47 -0.04 -0.54 0.70 0.00 0.00 175.17 172.66 1zgw s LYS 76 N -5.67 3.51 0.00 2.11 3.01 -1.26 -4.95 119.74 116.49 1zgw s LYS 76 Ca 0.73 -0.52 0.00 0.00 -1.01 0.00 0.00 55.97 55.17 1zgw s LYS 76 Cb -0.06 -2.86 0.00 0.00 -1.01 0.00 0.00 37.83 33.90 1zgw s LYS 76 CO 0.55 0.33 0.00 0.00 0.51 0.00 0.00 175.35 176.73 1zgw n ALA 77 N 3.27 0.00 0.12 5.17 0.00 -1.26 -4.25 120.51 123.56 1zgw n ALA 77 Ca -0.18 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.41 1zgw n ALA 77 Cb 0.53 0.00 0.67 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 0.00 0.00 0.00 -0.26 0.78 0.99 115.58 117.09 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 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1zgw h ASN 78 CO 0.00 0.00 0.06 -0.81 -1.06 0.00 0.00 177.43 175.62 1zgw n PRO 79 N -4.45 0.02 -0.05 0.81 -0.04 -1.26 -2.39 135.00 127.64 1zgw n PRO 79 Ca 0.04 0.47 -0.14 0.00 -0.04 0.00 0.00 63.50 63.83 1zgw n PRO 79 Cb 0.37 -1.61 -0.10 0.00 -0.04 0.00 0.00 33.50 32.12 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 -0.48 -0.82 0.54 2.43 0.86 0.14 114.38 117.05 1zgw h ARG 80 Ca 0.00 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.37 1zgw h ARG 80 Cb 0.12 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.72 1zgw h ARG 80 CO 0.00 -0.32 0.54 1.96 -1.51 0.00 0.00 179.97 180.64 1zgw h GLN 81 N -0.50 0.43 -0.40 0.20 1.08 -1.69 -0.65 115.11 113.59 1zgw h GLN 81 Ca 0.04 -0.03 -0.15 0.00 -1.45 0.00 0.00 58.65 57.07 1zgw h GLN 81 Cb 0.62 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 1zgw h GLN 81 CO -0.47 0.29 -0.33 0.45 -0.95 0.00 0.00 178.83 177.82 1zgw h HIS 82 N 0.45 1.10 0.00 2.96 3.86 -1.01 -0.92 115.15 121.59 1zgw h HIS 82 Ca 0.41 -0.31 -0.05 0.00 -1.16 0.00 0.00 60.37 59.25 1zgw h HIS 82 Cb 0.93 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 1zgw h HIS 82 CO -0.00 1.14 -0.25 -0.09 0.86 0.00 0.00 177.93 179.58 1zgw h ARG 83 N 0.75 0.00 0.00 2.45 9.65 0.49 -1.45 114.38 126.28 1zgw h ARG 83 Ca 0.07 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.77 1zgw h ARG 83 Cb 0.92 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.47 1zgw h ARG 83 CO 0.09 0.25 -0.86 1.25 2.80 0.00 0.00 179.97 183.49 1zgw h LEU 84 N 0.00 0.00 -1.17 3.80 7.12 -0.71 -2.79 115.31 121.57 1zgw h LEU 84 Ca -0.00 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 1zgw h LEU 84 Cb 0.57 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.67 1zgw h LEU 84 CO 0.03 0.86 0.42 0.44 -0.13 0.00 0.00 178.44 180.07 1zgw h ASP 85 N 0.00 0.88 0.12 1.25 3.32 -0.10 -2.03 116.42 119.86 1zgw h ASP 85 Ca -0.01 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1zgw h ASP 85 Cb 1.55 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 1zgw h ASP 85 CO 0.11 0.69 -0.10 0.50 -1.72 0.00 0.00 179.24 178.72 1zgw h LYS 86 N 1.01 -0.23 -0.68 3.56 3.11 -1.20 -2.57 116.57 119.56 1zgw h LYS 86 Ca 0.26 0.02 0.11 0.00 -2.81 0.00 0.00 60.65 58.23 1zgw h LYS 86 Cb -0.01 0.05 -0.08 0.00 -1.00 0.00 0.00 32.23 31.19 1zgw h LYS 86 CO -0.05 -0.15 0.27 0.82 -2.81 0.00 0.00 179.45 177.53 1zgw h ILE 87 N -0.24 0.74 -0.70 2.00 1.08 -1.20 0.68 117.51 119.88 1zgw h ILE 87 Ca -0.00 -0.15 0.14 0.00 -0.39 0.00 0.00 64.86 64.45 1zgw h ILE 87 Cb 0.22 0.25 -0.10 0.00 -3.07 0.00 0.00 36.82 34.12 1zgw h ILE 87 CO -0.02 0.08 0.21 0.74 -0.69 0.00 0.00 178.15 178.47 1zgw h THR 88 N 0.45 0.61 -0.96 -0.27 2.02 -1.01 1.31 112.91 115.06 1zgw h THR 88 Ca 0.35 -0.11 0.12 0.00 0.77 0.00 0.00 66.41 67.54 1zgw h THR 88 Cb 0.47 0.25 -0.08 0.00 -1.74 0.00 0.00 68.15 67.05 1zgw h THR 88 CO -0.34 0.06 0.61 -0.74 0.37 0.00 0.00 175.52 175.48 1zgw h HIS 89 N 0.33 1.05 -0.85 3.16 -0.00 -0.54 0.72 115.15 119.02 1zgw h HIS 89 Ca 0.38 0.03 0.13 0.00 -0.00 0.00 0.00 60.37 60.91 1zgw h HIS 89 Cb 0.60 -0.33 -0.06 0.00 -0.00 0.00 0.00 27.41 27.61 1zgw h HIS 89 CO -0.22 0.43 0.55 0.00 -0.00 0.00 0.00 177.93 178.69 1zgw h ALA 90 N 1.55 1.83 -0.18 5.26 0.00 0.24 0.18 119.26 128.14 1zgw h ALA 90 Ca 0.47 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 1zgw h ALA 90 Cb 0.51 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1zgw h ALA 90 CO -0.23 -0.05 0.08 0.00 0.00 0.00 0.00 179.25 179.05 1zgw h ARG 92 N 0.15 -0.30 -0.82 0.00 2.43 -0.06 0.79 114.38 116.57 1zgw h ARG 92 Ca 0.06 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.35 1zgw h ARG 92 Cb 0.13 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.69 1zgw h ARG 92 CO -0.01 -0.20 0.53 -0.07 -1.51 0.00 0.00 179.97 178.71 1zgw h LEU 93 N -0.32 0.69 -0.10 3.80 4.07 -1.11 3.19 115.31 125.54 1zgw h LEU 93 Ca 0.14 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.11 1zgw h LEU 93 Cb 0.54 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1zgw h LEU 93 CO -0.45 0.41 0.00 0.18 -1.08 0.00 0.00 178.44 177.50 1zgw n LEU 94 N -4.51 0.09 0.00 1.67 4.32 0.20 -2.60 117.00 116.16 1zgw n LEU 94 Ca 0.14 0.52 0.00 0.00 -0.02 0.00 0.00 56.01 56.65 1zgw n LEU 94 Cb 0.33 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.61 1zgw n LEU 94 CO 0.32 -0.31 0.04 1.21 -1.22 0.00 0.00 177.39 177.43 1zgw n GLU 95 N -1.60 1.92 0.02 3.23 4.07 0.43 -4.54 120.64 124.17 1zgw n GLU 95 Ca 0.03 -0.09 -0.19 0.00 -0.06 0.00 0.00 57.16 56.86 1zgw n GLU 95 Cb 0.16 -0.42 -0.14 0.00 -0.06 0.00 0.00 31.44 30.98 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 0.27 0.00 5.31 4.15 0.60 -3.46 115.11 121.97 1zgw h GLN 96 Ca 0.00 -0.42 0.00 0.00 0.77 0.00 0.00 58.65 59.00 1zgw h GLN 96 Cb 0.10 0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.94 1zgw h GLN 96 CO 0.00 1.17 0.00 -0.85 -1.93 0.00 0.00 178.83 177.22 1zgw n GLU 97 N -4.22 2.17 -0.04 1.69 0.28 -1.18 -5.05 120.64 114.29 1zgw n GLU 97 Ca -0.13 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.82 1zgw n GLU 97 Cb 0.74 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.59 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 1.24 -2.02 3.84 -1.04 -1.26 -4.94 114.28 110.10 1zgw n THR 98 Ca 0.00 0.23 -0.40 0.00 -2.04 0.00 0.00 64.05 61.85 1zgw n THR 98 Cb 0.00 -2.03 -0.01 0.00 -1.82 0.00 0.00 70.33 66.47 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 -2.44 4.07 0.55 -2.82 0.04 -1.26 -4.97 135.00 128.17 1zgw s PRO 99 Ca -0.18 2.24 -0.16 0.00 0.04 0.00 0.00 61.00 62.94 1zgw s PRO 99 Cb 0.02 -2.86 -0.06 0.00 0.04 0.00 0.00 34.50 31.65 1zgw s PRO 99 CO 0.27 -0.44 1.02 0.08 0.04 0.00 0.00 177.00 177.97 1zgw s VAL 100 N -1.21 4.16 -0.37 -0.36 1.01 -1.26 -4.94 120.40 117.42 1zgw s VAL 100 Ca 0.55 1.04 -0.06 0.00 0.00 0.00 0.00 61.98 63.50 1zgw s VAL 100 Cb -0.40 -3.55 0.06 0.00 0.00 0.00 0.00 36.38 32.50 1zgw s VAL 100 CO 0.52 -0.59 0.16 0.42 0.00 0.00 0.00 175.10 175.61 1zgw s THR 101 N -2.53 3.73 0.11 3.92 -4.23 -1.26 -4.84 115.64 110.54 1zgw s THR 101 Ca 0.61 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 1zgw s THR 101 Cb -0.13 -3.24 0.00 0.00 1.34 0.00 0.00 72.50 70.47 1zgw s THR 101 CO 0.34 -0.36 0.00 0.18 -0.54 0.00 0.00 174.62 174.24 1zgw n LEU 102 N 4.78 0.20 -0.33 4.79 4.32 -1.26 -4.74 117.00 124.75 1zgw n LEU 102 Ca -0.10 0.18 0.18 0.00 -0.02 0.00 0.00 56.01 56.24 1zgw n LEU 102 Cb 0.43 0.05 0.34 0.00 -1.62 0.00 0.00 43.42 42.63 1zgw n LEU 102 CO 0.33 -0.65 0.86 -0.08 -1.22 0.00 0.00 177.39 176.64 1zgw h GLU 103 N 0.00 0.03 -0.36 3.23 4.81 -1.93 0.23 114.58 120.59 1zgw h GLU 103 Ca 0.00 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1zgw h GLU 103 Cb 0.00 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1zgw h GLU 103 CO 0.00 0.02 0.19 0.00 -0.73 0.00 0.00 179.01 178.48 1zgw h ALA 104 N 1.97 0.45 -0.22 2.92 0.00 -1.94 0.14 119.26 122.57 1zgw h ALA 104 Ca 0.64 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.43 1zgw h ALA 104 Cb 1.40 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1zgw h ALA 104 CO -0.87 -0.18 -0.39 1.25 0.00 0.00 0.00 179.25 179.06 1zgw h LEU 105 N 0.38 0.54 0.29 0.00 5.85 -0.95 -1.47 115.31 119.95 1zgw h LEU 105 Ca 0.15 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1zgw h LEU 105 Cb 0.05 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1zgw h LEU 105 CO -0.10 0.88 -0.19 0.00 -0.34 0.00 0.00 178.44 178.69 1zgw h ALA 106 N 1.15 -0.45 -0.00 1.25 0.00 -0.10 -0.25 119.26 120.85 1zgw h ALA 106 Ca 0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1zgw h ALA 106 Cb 0.87 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1zgw h ALA 106 CO 0.07 -0.77 -0.16 -0.44 0.00 0.00 0.00 179.25 177.96 1zgw h ASP 107 N -0.47 0.01 -0.19 0.00 3.32 -0.67 0.16 116.42 118.58 1zgw h ASP 107 Ca -0.03 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.90 1zgw h ASP 107 Cb 0.39 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1zgw h ASP 107 CO 0.02 0.16 -0.38 -0.61 -1.72 0.00 0.00 179.24 176.72 1zgw h GLN 108 N 0.01 0.58 -0.00 3.56 4.15 -0.58 -3.19 115.11 119.64 1zgw h GLN 108 Ca -0.00 -0.38 0.00 0.00 0.77 0.00 0.00 58.65 59.04 1zgw h GLN 108 Cb 0.28 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.02 1zgw h GLN 108 CO 0.02 0.99 -0.28 0.28 -1.93 0.00 0.00 178.83 177.92 1zgw n VAL 109 N -4.28 0.00 -1.85 2.39 0.31 -0.17 -4.92 118.33 109.81 1zgw n VAL 109 Ca -0.06 -0.06 -0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1zgw n VAL 109 Cb 0.52 0.17 -0.00 0.00 -0.91 0.00 0.00 33.84 33.62 1zgw n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1zgw n ALA 110 N -1.05 -0.01 -2.17 3.52 0.00 0.19 -5.05 120.51 115.95 1zgw n ALA 110 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.44 1zgw n ALA 110 Cb 0.33 -0.52 -0.10 0.00 0.00 0.00 0.00 19.45 19.16 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 -3.70 1.04 0.96 0.00 0.23 0.33 -5.00 119.30 113.15 1zgw s MET 111 Ca 0.00 -1.51 -0.13 0.00 -1.03 0.00 0.00 55.69 53.02 1zgw s MET 111 Cb 0.00 0.24 0.16 0.00 -1.53 0.00 0.00 34.83 33.71 1zgw s MET 111 CO 0.00 -0.31 1.12 -1.12 -2.03 0.00 0.00 175.02 172.69 1zgw s SER 112 N -3.09 3.06 0.31 -1.18 0.01 -1.26 -3.68 113.70 107.86 1zgw s SER 112 Ca 0.30 1.01 0.01 0.00 1.31 0.00 0.00 55.95 58.58 1zgw s SER 112 Cb 0.07 -1.59 0.49 0.00 0.21 0.00 0.00 66.02 65.20 1zgw s SER 112 CO 0.06 -2.84 1.85 1.55 0.41 0.00 0.00 173.24 174.27 1zgw h PRO 113 N -1.69 0.69 -0.19 12.44 0.13 -1.90 -0.66 132.00 140.82 1zgw h PRO 113 Ca -0.52 -0.14 -0.13 0.00 -0.87 0.00 0.00 66.00 64.34 1zgw h PRO 113 Cb 1.33 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1zgw h PRO 113 CO 0.59 0.66 -0.43 0.74 -0.23 0.00 0.00 178.00 179.34 1zgw h PHE 114 N 0.66 0.53 0.00 1.56 -1.00 -1.95 -2.37 116.94 114.38 1zgw h PHE 114 Ca 0.14 -0.16 -0.10 0.00 2.81 0.00 0.00 57.97 60.67 1zgw h PHE 114 Cb 0.32 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 1zgw h PHE 114 CO 0.01 0.80 -0.47 1.25 -1.61 0.00 0.00 178.31 178.30 1zgw h HIS 115 N 0.37 0.00 -0.73 -0.55 2.76 -1.63 -1.05 115.15 114.31 1zgw h HIS 115 Ca 0.03 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 1zgw h HIS 115 Cb 0.90 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.83 1zgw h HIS 115 CO 0.03 0.47 0.32 1.37 -1.30 0.00 0.00 177.93 178.82 1zgw h LEU 116 N 0.00 0.98 -0.57 0.26 8.10 -0.67 0.25 115.31 123.67 1zgw h LEU 116 Ca -0.00 -0.15 -0.07 0.00 0.11 0.00 0.00 57.88 57.77 1zgw h LEU 116 Cb 0.87 -0.25 -0.02 0.00 -0.44 0.00 0.00 40.66 40.82 1zgw h LEU 116 CO 0.06 0.87 0.10 0.45 -4.11 0.00 0.00 178.44 175.80 1zgw h HIS 117 N 1.04 1.00 -0.69 0.17 3.86 -1.05 -0.55 115.15 118.92 1zgw h HIS 117 Ca 0.25 -0.14 0.03 0.00 -1.16 0.00 0.00 60.37 59.35 1zgw h HIS 117 Cb 0.17 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.32 1zgw h HIS 117 CO 0.01 0.87 0.46 0.00 0.86 0.00 0.00 177.93 180.14 1zgw h ARG 118 N 0.84 0.82 0.02 2.45 2.47 -0.19 -1.68 114.38 119.11 1zgw h ARG 118 Ca 0.17 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.84 1zgw h ARG 118 Cb 0.41 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 1zgw h ARG 118 CO 0.01 0.54 -0.01 1.25 0.56 0.00 0.00 179.97 182.32 1zgw h LEU 119 N 0.84 -0.03 -1.00 3.04 7.12 0.15 -0.25 115.31 125.18 1zgw h LEU 119 Ca 0.28 -0.40 0.22 0.00 0.13 0.00 0.00 57.88 58.11 1zgw h LEU 119 Cb 0.05 0.01 -0.12 0.00 -0.53 0.00 0.00 40.66 40.07 1zgw h LEU 119 CO -0.08 0.39 0.60 0.15 -0.13 0.00 0.00 178.44 179.37 1zgw h PHE 120 N -0.45 1.04 -0.03 1.25 3.04 -0.60 0.12 116.94 121.31 1zgw h PHE 120 Ca -0.00 0.04 -0.24 0.00 3.98 0.00 0.00 57.97 61.74 1zgw h PHE 120 Cb 0.42 -0.30 0.01 0.00 2.56 0.00 0.00 35.95 38.64 1zgw h PHE 120 CO 0.07 0.14 -0.95 -0.22 -2.02 0.00 0.00 178.31 175.33 1zgw h LYS 121 N 0.67 0.63 0.67 1.11 3.64 -1.19 -0.94 116.57 121.16 1zgw h LYS 121 Ca 0.61 -0.63 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1zgw h LYS 121 Cb 1.07 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1zgw h LYS 121 CO -0.43 1.24 -0.41 0.00 -2.27 0.00 0.00 179.45 177.57 1zgw h ALA 122 N 0.55 -1.04 0.56 5.00 0.00 0.99 1.38 119.26 126.70 1zgw h ALA 122 Ca -0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1zgw h ALA 122 Cb 1.59 0.50 0.01 0.00 0.00 0.00 0.00 17.79 19.89 1zgw h ALA 122 CO 0.18 -1.10 -0.27 1.15 0.00 0.00 0.00 179.25 179.21 1zgw h THR 123 N -1.01 0.00 -1.09 0.00 2.02 -1.06 -2.88 112.91 108.89 1zgw h THR 123 Ca -0.08 -0.43 0.30 0.00 0.77 0.00 0.00 66.41 66.97 1zgw h THR 123 Cb 0.82 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.16 1zgw h THR 123 CO 0.09 0.00 0.75 0.00 0.37 0.00 0.00 175.52 176.73 1zgw h THR 124 N -1.18 0.47 0.00 3.16 1.03 -1.23 -3.46 112.91 111.70 1zgw h THR 124 Ca -0.08 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 66.27 1zgw h THR 124 Cb 0.57 0.29 0.00 0.00 -1.07 0.00 0.00 68.15 67.95 1zgw h THR 124 CO 0.13 0.03 0.00 0.61 -0.01 0.00 0.00 175.52 176.28 1zgw n GLY 125 N -1.64 3.09 2.70 2.99 0.00 0.47 -4.92 105.19 107.87 1zgw n GLY 125 Ca 0.25 -1.02 -0.07 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 1.21 -2.90 1.61 0.00 -0.85 -4.65 117.12 111.54 1zgw n MET 126 Ca 0.00 -1.84 0.01 0.00 0.00 0.00 0.00 57.70 55.87 1zgw n MET 126 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 33.22 33.16 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 0.04 -0.47 0.00 2.03 2.01 -1.26 -4.99 115.64 113.00 1zgw s THR 127 Ca 0.21 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.19 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 3.87 0.00 0.19 4.92 -0.04 -1.26 -2.88 135.00 139.81 1zgw n PRO 128 Ca 0.08 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.71 1zgw n PRO 128 Cb 0.61 0.00 0.81 0.00 -0.04 0.00 0.00 33.50 34.88 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 -0.35 0.54 3.11 -1.93 -1.69 116.57 116.24 1zgw h LYS 129 Ca 0.00 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.73 1zgw h LYS 129 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 1zgw h LYS 129 CO 0.00 0.00 -0.21 0.00 -2.81 0.00 0.00 179.45 176.43 1zgw h ALA 130 N 1.77 0.50 -0.30 5.00 0.00 -1.95 -0.93 119.26 123.35 1zgw h ALA 130 Ca 0.09 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1zgw h ALA 130 Cb 0.51 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1zgw h ALA 130 CO -0.00 0.46 -0.07 2.35 0.00 0.00 0.00 179.25 181.99 1zgw h TRP 131 N 0.55 0.51 -0.44 0.00 -0.00 -1.17 0.18 115.95 115.59 1zgw h TRP 131 Ca 0.07 -0.06 -0.09 0.00 -0.00 0.00 0.00 58.89 58.81 1zgw h TRP 131 Cb 0.77 -0.14 -0.01 0.00 -0.00 0.00 0.00 29.16 29.77 1zgw h TRP 131 CO 0.06 0.56 -0.07 0.37 -0.00 0.00 0.00 178.44 179.36 1zgw h GLN 132 N 0.46 0.82 -0.12 2.65 4.15 -1.32 -1.58 115.11 120.17 1zgw h GLN 132 Ca 0.09 -0.30 -0.02 0.00 0.77 0.00 0.00 58.65 59.19 1zgw h GLN 132 Cb 0.41 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 1zgw h GLN 132 CO 0.02 0.92 -0.01 0.37 -1.93 0.00 0.00 178.83 178.20 1zgw h GLN 133 N 0.65 0.21 0.49 1.69 4.15 -0.58 -2.16 115.11 119.58 1zgw h GLN 133 Ca 0.12 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1zgw h GLN 133 Cb 0.59 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 1zgw h GLN 133 CO 0.04 0.49 -0.45 0.00 -1.93 0.00 0.00 178.83 176.98 1zgw h ALA 134 N 0.72 -1.02 -0.77 3.38 0.00 -0.61 0.94 119.26 121.90 1zgw h ALA 134 Ca 0.03 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 54.94 1zgw h ALA 134 Cb 0.40 0.63 -0.14 0.00 0.00 0.00 0.00 17.79 18.68 1zgw h ALA 134 CO 0.01 -1.11 -0.08 -1.49 0.00 0.00 0.00 179.25 176.58 1zgw h TRP 135 N -0.94 -0.20 -0.70 0.00 -0.00 -1.32 0.80 115.95 113.58 1zgw h TRP 135 Ca -0.05 0.06 0.03 0.00 -0.00 0.00 0.00 58.89 58.93 1zgw h TRP 135 Cb 0.81 0.21 -0.04 0.00 -0.00 0.00 0.00 29.16 30.14 1zgw h TRP 135 CO -0.21 -0.29 0.46 -0.09 -0.00 0.00 0.00 178.44 178.31 1zgw h ARG 136 N 0.05 0.82 -0.19 0.49 2.43 -0.68 0.87 114.38 118.19 1zgw h ARG 136 Ca 0.40 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.42 1zgw h ARG 136 Cb 0.69 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1zgw h ARG 136 CO -0.73 0.55 -0.32 0.00 -1.51 0.00 0.00 179.97 177.95 1zgw h ALA 137 N 1.59 1.11 -0.04 2.80 0.00 0.31 -2.74 119.26 122.29 1zgw h ALA 137 Ca 0.28 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1zgw h ALA 137 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1zgw h ALA 137 CO -0.08 0.56 0.00 -2.13 0.00 0.00 0.00 179.25 177.60 1zgw n ARG 138 N -4.08 2.27 0.00 0.00 0.63 -0.54 -5.10 116.66 109.83 1zgw n ARG 138 Ca -0.01 -1.91 0.00 0.00 -0.92 0.00 0.00 57.85 55.01 1zgw n ARG 138 Cb 0.44 -1.45 0.00 0.00 0.45 0.00 0.00 32.46 31.89 1zgw n ARG 138 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99