#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zgw n LYS 2 N 0.00 2.18 -3.64 3.17 5.02 -1.26 -5.07 118.16 118.56 1zgw n LYS 2 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1zgw n LYS 2 Cb 0.00 -0.96 -0.07 0.00 -0.02 0.00 0.00 35.03 33.98 1zgw n LYS 2 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1zgw s LYS 3 N -1.89 0.48 0.00 1.97 2.20 -1.26 -4.84 119.74 116.39 1zgw s LYS 3 Ca 0.00 0.72 0.00 0.00 -0.36 0.00 0.00 55.97 56.33 1zgw s LYS 3 Cb 0.00 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 1zgw s LYS 3 CO 0.00 -0.08 0.00 0.00 -0.36 0.00 0.00 175.35 174.91 1zgw n ALA 4 N 3.25 0.00 -0.38 3.13 0.00 -1.26 -4.78 120.51 120.47 1zgw n ALA 4 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.26 1zgw n ALA 4 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 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 1.44 -1.96 0.00 -1.04 -1.26 -4.48 114.28 106.98 1zgw n THR 5 Ca 0.00 -0.42 -0.01 0.00 -2.04 0.00 0.00 64.05 61.58 1zgw n THR 5 Cb 0.00 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 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 -1.18 0.00 -3.66 0.00 -0.00 -1.26 -4.94 117.00 105.95 1zgw n LEU 7 Ca -0.01 -0.01 -0.41 0.00 -0.00 0.00 0.00 56.01 55.58 1zgw n LEU 7 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.92 1zgw n LEU 7 CO 0.02 0.11 2.71 0.41 -0.00 0.00 0.00 177.39 180.63 1zgw n THR 8 N 0.00 3.79 -0.60 1.96 -1.04 -1.26 -4.74 114.28 112.40 1zgw n THR 8 Ca 0.00 -3.17 0.46 0.00 -2.04 0.00 0.00 64.05 59.30 1zgw n THR 8 Cb 0.26 -2.56 0.73 0.00 -1.82 0.00 0.00 70.33 66.95 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 5.19 0.07 0.29 8.00 5.68 -1.26 0.11 116.55 134.63 1zgw n ASP 9 Ca 0.55 1.09 -0.16 0.00 -0.50 0.00 0.00 54.79 55.77 1zgw n ASP 9 Cb 0.35 -0.54 -0.09 0.00 -1.14 0.00 0.00 41.12 39.71 1zgw n ASP 9 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1zgw h ASP 10 N 0.00 -0.58 1.50 -1.12 5.19 -2.00 0.90 116.42 120.30 1zgw h ASP 10 Ca 0.88 0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 57.25 1zgw h ASP 10 Cb 3.28 0.15 -0.01 0.00 0.18 0.00 0.00 39.33 42.94 1zgw h ASP 10 CO -0.17 -0.41 -0.28 -0.61 -3.12 0.00 0.00 179.24 174.65 1zgw h GLN 11 N -0.70 0.00 -0.87 3.56 5.75 0.44 -2.51 115.11 120.79 1zgw h GLN 11 Ca -0.07 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.51 1zgw h GLN 11 Cb 0.53 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.01 1zgw h GLN 11 CO 0.12 0.28 0.53 0.00 -2.65 0.00 0.00 178.83 177.10 1zgw h ARG 12 N 0.00 0.89 -0.80 1.69 -0.00 0.75 1.60 114.38 118.51 1zgw h ARG 12 Ca -0.00 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.98 59.40 1zgw h ARG 12 Cb 1.10 -0.20 -0.04 0.00 0.00 0.00 0.00 29.97 30.84 1zgw h ARG 12 CO 0.04 0.59 0.41 2.35 0.00 0.00 0.00 179.97 183.35 1zgw h TRP 13 N 0.92 1.13 -0.01 3.04 -0.00 -0.44 0.92 115.95 121.51 1zgw h TRP 13 Ca 0.40 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.89 59.24 1zgw h TRP 13 Cb 0.29 -0.36 -0.00 0.00 -0.00 0.00 0.00 29.16 29.09 1zgw h TRP 13 CO -0.04 0.81 -0.06 0.37 -0.00 0.00 0.00 178.44 179.52 1zgw h GLN 14 N 1.12 0.02 -0.09 2.65 5.75 0.12 0.32 115.11 125.01 1zgw h GLN 14 Ca 0.28 -0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.60 1zgw h GLN 14 Cb 0.09 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1zgw h GLN 14 CO -0.04 0.08 -0.68 1.03 -2.65 0.00 0.00 178.83 176.57 1zgw h SER 15 N 0.02 0.43 0.13 -0.69 0.87 0.58 0.69 113.55 115.59 1zgw h SER 15 Ca 0.00 -0.27 -0.14 0.00 -1.23 0.00 0.00 61.79 60.15 1zgw h SER 15 Cb 0.12 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1zgw h SER 15 CO 0.01 0.99 -0.50 0.58 -0.53 0.00 0.00 176.83 177.38 1zgw h VAL 16 N 0.26 1.33 0.02 2.23 2.07 0.39 0.16 116.25 122.72 1zgw h VAL 16 Ca -0.02 -1.73 -0.30 0.00 0.82 0.00 0.00 66.70 65.47 1zgw h VAL 16 Cb 1.23 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.72 1zgw h VAL 16 CO 0.11 0.53 -1.68 -0.07 0.02 0.00 0.00 177.57 176.48 1zgw h LEU 17 N 0.33 0.08 0.00 2.57 3.38 -0.47 -3.31 115.31 117.90 1zgw h LEU 17 Ca 0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1zgw h LEU 17 Cb 1.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1zgw h LEU 17 CO 0.09 1.15 0.00 0.00 0.09 0.00 0.00 178.44 179.76 1zgw n ALA 18 N -2.61 2.33 -3.25 1.53 0.00 0.24 -4.91 120.51 113.86 1zgw n ALA 18 Ca -0.18 -0.10 -0.16 0.00 0.00 0.00 0.00 53.44 53.00 1zgw n ALA 18 Cb 1.04 -1.47 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 -1.49 -5.50 -2.10 0.00 1.74 0.31 -4.90 116.66 104.71 1zgw n ARG 19 Ca 0.07 0.58 -0.43 0.00 -0.77 0.00 0.00 57.85 57.30 1zgw n ARG 19 Cb 0.34 -4.86 -0.02 0.00 -1.02 0.00 0.00 32.46 26.89 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 -3.27 6.04 0.00 0.55 2.15 0.14 -4.71 116.67 117.57 1zgw s ASP 20 Ca 0.38 1.18 0.09 0.00 0.43 0.00 0.00 52.55 54.62 1zgw s ASP 20 Cb -0.17 -2.53 0.51 0.00 -0.30 0.00 0.00 42.92 40.43 1zgw s ASP 20 CO 0.51 -1.61 1.09 -0.81 -0.17 0.00 0.00 175.17 174.18 1zgw n PRO 21 N 8.30 0.71 -0.00 4.34 -0.04 -1.26 -2.21 135.00 144.84 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 -0.13 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 0.83 -0.20 3.54 5.15 -1.26 -4.00 115.26 118.63 1zgw n ASN 22 Ca 0.06 -0.83 0.05 0.00 -0.60 0.00 0.00 54.58 53.27 1zgw n ASN 22 Cb 0.03 1.17 -0.01 0.00 -0.53 0.00 0.00 39.78 40.43 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 -1.62 2.97 -2.48 5.20 0.00 -0.94 -4.79 120.51 118.85 1zgw n ALA 23 Ca 0.03 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 1zgw n ALA 23 Cb 0.37 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.41 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 -1.54 7.09 0.00 0.00 2.15 -1.17 -1.69 116.67 121.50 1zgw s ASP 24 Ca 0.08 1.82 0.00 0.00 0.43 0.00 0.00 52.55 54.88 1zgw s ASP 24 Cb 0.09 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1zgw s ASP 24 CO 0.30 -0.54 0.00 0.61 -0.17 0.00 0.00 175.17 175.38 1zgw n GLY 25 N 3.30 3.27 0.10 2.66 0.00 -1.26 0.29 105.19 113.55 1zgw n GLY 25 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 1zgw n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1zgw h GLU 26 N 1.94 0.00 -4.55 1.61 4.57 -1.59 -3.46 114.58 113.11 1zgw h GLU 26 Ca 0.00 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 57.94 1zgw h GLU 26 Cb 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 28.44 1zgw h GLU 26 CO 0.00 0.92 -0.58 -0.59 -1.18 0.00 0.00 179.01 177.58 1zgw s PHE 27 N -2.35 1.14 0.41 0.92 -0.12 -0.92 -4.37 117.98 112.70 1zgw s PHE 27 Ca -0.28 -1.36 0.03 0.00 -0.05 0.00 0.00 56.93 55.28 1zgw s PHE 27 Cb 0.06 -0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 41.89 1zgw s PHE 27 CO 0.56 -0.68 0.08 0.14 -0.05 0.00 0.00 175.22 175.27 1zgw s VAL 28 N -4.11 0.94 -0.05 -2.49 -7.23 -0.20 -4.32 120.40 102.94 1zgw s VAL 28 Ca 0.38 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.53 1zgw s VAL 28 Cb 0.06 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.59 1zgw s VAL 28 CO 0.13 0.00 0.08 0.72 -0.31 0.00 0.00 175.10 175.72 1zgw s PHE 29 N -3.13 -0.01 -0.34 2.82 -0.12 -1.25 -1.62 117.98 114.34 1zgw s PHE 29 Ca 0.23 0.33 -0.13 0.00 -0.05 0.00 0.00 56.93 57.32 1zgw s PHE 29 Cb 0.04 -0.38 -0.02 0.00 -0.63 0.00 0.00 43.02 42.03 1zgw s PHE 29 CO 0.12 -0.19 0.23 0.00 -0.05 0.00 0.00 175.22 175.33 1zgw s ALA 30 N 2.00 3.49 -0.37 1.99 0.00 0.78 -3.85 121.76 125.80 1zgw s ALA 30 Ca 0.02 -1.38 -0.21 0.00 0.00 0.00 0.00 51.96 50.39 1zgw s ALA 30 Cb -0.12 -2.64 0.01 0.00 0.00 0.00 0.00 23.12 20.36 1zgw s ALA 30 CO -0.04 -0.96 0.67 0.08 0.00 0.00 0.00 175.76 175.52 1zgw s VAL 31 N 1.72 4.84 0.12 0.00 1.01 0.36 -1.10 120.40 127.35 1zgw s VAL 31 Ca 0.06 0.59 0.33 0.00 0.00 0.00 0.00 61.98 62.97 1zgw s VAL 31 Cb -0.17 -4.12 0.38 0.00 0.00 0.00 0.00 36.38 32.47 1zgw s VAL 31 CO 0.10 -0.38 1.98 0.03 0.00 0.00 0.00 175.10 176.83 1zgw h ARG 32 N 8.53 0.00 -0.09 2.72 3.08 0.11 0.33 114.38 129.05 1zgw h ARG 32 Ca -0.26 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.72 1zgw h ARG 32 Cb 1.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 1zgw h ARG 32 CO 0.86 0.02 -0.30 0.00 -1.07 0.00 0.00 179.97 179.48 1zgw h THR 33 N 0.00 1.25 -0.00 2.04 1.03 -1.91 -3.10 112.91 112.21 1zgw h THR 33 Ca -0.00 -1.17 0.00 0.00 -0.01 0.00 0.00 66.41 65.23 1zgw h THR 33 Cb 0.52 1.51 0.00 0.00 -1.07 0.00 0.00 68.15 69.11 1zgw h THR 33 CO 0.00 0.35 -0.01 1.07 -0.01 0.00 0.00 175.52 176.92 1zgw n THR 34 N -4.14 0.00 -2.94 0.00 5.66 -1.02 -4.99 114.28 106.84 1zgw n THR 34 Ca -0.01 -0.50 -0.21 0.00 -3.05 0.00 0.00 64.05 60.28 1zgw n THR 34 Cb 0.38 1.05 0.03 0.00 -1.55 0.00 0.00 70.33 70.24 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 0.21 -0.46 3.46 1.09 0.00 0.11 -4.86 105.19 104.73 1zgw n GLY 35 Ca 0.01 0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.14 1.65 0.02 -0.61 1.01 -0.84 -0.01 121.20 119.28 1zgw s ILE 36 Ca 0.27 -2.10 -0.07 0.00 0.00 0.00 0.00 60.65 58.75 1zgw s ILE 36 Cb -0.12 -2.57 -0.00 0.00 0.01 0.00 0.00 42.46 39.78 1zgw s ILE 36 CO 0.34 -0.22 0.12 0.72 0.00 0.00 0.00 174.94 175.90 1zgw s PHE 37 N -3.00 0.10 0.52 3.97 -0.12 -1.25 0.13 117.98 118.35 1zgw s PHE 37 Ca 0.31 -0.28 0.07 0.00 -0.05 0.00 0.00 56.93 56.98 1zgw s PHE 37 Cb 0.05 -0.08 0.04 0.00 -0.63 0.00 0.00 43.02 42.39 1zgw s PHE 37 CO 0.13 -0.32 0.48 1.03 -0.05 0.00 0.00 175.22 176.49 1zgw s ARG 39 N -1.86 2.32 0.52 1.99 0.52 -1.26 -3.78 118.95 117.39 1zgw s ARG 39 Ca -0.11 -1.85 0.33 0.00 -0.52 0.00 0.00 55.73 53.59 1zgw s ARG 39 Cb -0.05 -2.26 1.44 0.00 0.52 0.00 0.00 34.95 34.59 1zgw s ARG 39 CO -0.01 -0.58 1.99 -1.00 0.02 0.00 0.00 175.30 175.72 1zgw h PRO 40 N 0.69 0.00 -0.30 3.54 0.13 -1.84 -3.15 132.00 131.07 1zgw h PRO 40 Ca -0.36 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.60 1zgw h PRO 40 Cb 1.29 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.31 1zgw h PRO 40 CO 0.54 0.00 -0.24 -1.13 -0.23 0.00 0.00 178.00 176.94 1zgw n SER 41 N -2.96 2.55 -4.58 1.44 3.41 -1.26 -3.10 113.62 109.11 1zgw n SER 41 Ca 0.00 -3.83 -0.47 0.00 -0.26 0.00 0.00 58.87 54.31 1zgw n SER 41 Cb 0.26 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 63.59 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 1.46 2.48 -0.10 0.00 1.85 -1.26 -4.62 116.66 116.47 1zgw n ARG 43 Ca 0.14 -2.29 -0.20 0.00 -1.00 0.00 0.00 57.85 54.49 1zgw n ARG 43 Cb 0.27 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 30.08 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 1.43 0.76 0.00 2.89 0.00 -1.26 -5.09 120.51 119.24 1zgw n ALA 44 Ca 0.19 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.13 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 -1.69 -4.07 0.00 0.63 -1.26 -5.19 116.66 100.63 1zgw n ARG 45 Ca -0.30 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.55 1zgw n ARG 45 Cb 0.65 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.46 1zgw n ARG 45 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1zgw s HIS 46 N -2.00 0.49 0.31 -0.14 3.76 -1.26 -4.99 115.29 111.46 1zgw s HIS 46 Ca 0.00 -1.01 0.10 0.00 -0.15 0.00 0.00 55.06 54.00 1zgw s HIS 46 Cb 0.00 -0.36 -0.06 0.00 1.11 0.00 0.00 32.58 33.27 1zgw s HIS 46 CO 0.00 -0.37 -0.14 0.00 -0.85 0.00 0.00 174.74 173.38 1zgw s ALA 47 N -3.72 2.84 0.93 -1.40 0.00 -1.26 -5.12 121.76 114.03 1zgw s ALA 47 Ca 0.05 -1.99 -0.12 0.00 0.00 0.00 0.00 51.96 49.91 1zgw s ALA 47 Cb 0.06 -0.13 0.09 0.00 0.00 0.00 0.00 23.12 23.14 1zgw s ALA 47 CO -0.09 0.16 0.76 1.28 0.00 0.00 0.00 175.76 177.87 1zgw n LEU 48 N -0.71 1.52 0.20 0.00 4.77 -1.26 -4.86 117.00 116.66 1zgw n LEU 48 Ca -0.05 0.38 0.04 0.00 -0.03 0.00 0.00 56.01 56.35 1zgw n LEU 48 Cb 0.62 -1.34 0.43 0.00 -2.33 0.00 0.00 43.42 40.80 1zgw n LEU 48 CO 0.41 -2.91 0.82 -0.09 -1.33 0.00 0.00 177.39 174.29 1zgw h ARG 49 N -1.67 0.03 -0.70 3.23 2.43 -2.00 -3.23 114.38 112.47 1zgw h ARG 49 Ca -0.43 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 58.79 1zgw h ARG 49 Cb 1.28 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.74 1zgw h ARG 49 CO 0.38 0.28 -0.41 -1.91 -1.51 0.00 0.00 179.97 176.80 1zgw n GLU 50 N -4.22 -0.31 -0.38 0.20 0.00 -1.26 0.13 120.64 114.80 1zgw n GLU 50 Ca -0.02 1.29 0.04 0.00 0.00 0.00 0.00 57.16 58.47 1zgw n GLU 50 Cb 0.32 -1.90 0.20 0.00 0.00 0.00 0.00 31.44 30.05 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 -4.60 3.02 -4.44 4.31 3.02 -1.22 -4.84 115.26 110.52 1zgw n ASN 51 Ca 0.01 -2.34 -0.34 0.00 -0.03 0.00 0.00 54.58 51.89 1zgw n ASN 51 Cb 0.18 -0.50 -0.13 0.00 -0.61 0.00 0.00 39.78 38.72 1zgw n ASN 51 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1zgw s VAL 52 N -1.78 3.60 0.43 2.41 1.01 0.35 0.15 120.40 126.56 1zgw s VAL 52 Ca 0.27 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1zgw s VAL 52 Cb 0.19 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 1zgw s VAL 52 CO 0.11 0.49 0.05 -0.94 0.00 0.00 0.00 175.10 174.81 1zgw s SER 53 N 0.52 3.38 0.13 3.32 1.04 -0.26 -4.84 113.70 116.99 1zgw s SER 53 Ca -0.05 -1.56 0.10 0.00 0.48 0.00 0.00 55.95 54.93 1zgw s SER 53 Cb -0.15 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 1zgw s SER 53 CO 0.03 -0.76 -0.25 -0.36 0.98 0.00 0.00 173.24 172.88 1zgw s PHE 54 N -3.02 2.16 0.10 5.02 0.08 -1.26 -0.15 117.98 120.92 1zgw s PHE 54 Ca 0.22 -0.39 0.04 0.00 0.12 0.00 0.00 56.93 56.92 1zgw s PHE 54 Cb 0.05 -1.17 -0.04 0.00 -0.57 0.00 0.00 43.02 41.29 1zgw s PHE 54 CO 0.11 0.31 -0.11 0.71 -0.10 0.00 0.00 175.22 176.14 1zgw s TYR 55 N -1.13 1.14 0.13 0.36 2.02 -0.64 -4.90 117.35 114.33 1zgw s TYR 55 Ca 0.12 -0.62 -0.11 0.00 -0.37 0.00 0.00 57.07 56.09 1zgw s TYR 55 Cb -0.10 -0.62 -0.07 0.00 -0.40 0.00 0.00 41.96 40.78 1zgw s TYR 55 CO 0.06 0.04 1.43 0.00 -1.57 0.00 0.00 175.55 175.50 1zgw h ALA 56 N 3.60 0.50 -2.35 3.71 0.00 -1.90 -0.52 119.26 122.29 1zgw h ALA 56 Ca -0.38 -0.50 -0.22 0.00 0.00 0.00 0.00 54.91 53.81 1zgw h ALA 56 Cb 1.19 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 1zgw h ALA 56 CO 0.52 0.68 -0.66 0.54 0.00 0.00 0.00 179.25 180.33 1zgw s ASN 57 N -6.93 0.67 0.54 0.00 2.20 -1.26 -3.84 114.94 106.32 1zgw s ASN 57 Ca -0.11 -1.18 0.27 0.00 -0.94 0.00 0.00 52.86 50.91 1zgw s ASN 57 Cb 0.10 0.22 1.57 0.00 -2.00 0.00 0.00 41.25 41.14 1zgw s ASN 57 CO 0.89 -0.66 2.14 0.00 -2.94 0.00 0.00 177.10 176.53 1zgw h ALA 58 N 2.83 1.42 -0.31 3.54 0.00 -1.93 -2.08 119.26 122.73 1zgw h ALA 58 Ca -0.36 -0.07 -0.14 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 -0.39 1.03 0.00 0.00 0.00 179.25 180.59 1zgw h SER 59 N 0.00 0.78 -0.10 0.00 0.87 -1.96 0.84 113.55 113.98 1zgw h SER 59 Ca -0.00 -0.35 -0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1zgw h SER 59 Cb 0.19 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1zgw h SER 59 CO 0.01 1.08 0.06 -0.08 -0.53 0.00 0.00 176.83 177.37 1zgw h GLU 60 N 0.60 0.14 -0.59 2.24 4.57 -1.79 1.12 114.58 120.86 1zgw h GLU 60 Ca 0.05 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.24 1zgw h GLU 60 Cb 0.94 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.46 1zgw h GLU 60 CO 0.09 0.12 0.37 0.00 -1.18 0.00 0.00 179.01 178.41 1zgw h ALA 61 N 1.01 0.76 0.00 2.92 0.00 -1.20 0.27 119.26 123.01 1zgw h ALA 61 Ca 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1zgw h ALA 61 Cb 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1zgw h ALA 61 CO -0.01 0.13 -0.02 -0.07 0.00 0.00 0.00 179.25 179.29 1zgw h LEU 62 N 0.75 0.00 -0.23 0.00 3.38 0.18 0.20 115.31 119.58 1zgw h LEU 62 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1zgw h LEU 62 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1zgw h LEU 62 CO -0.08 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.47 1zgw h ALA 63 N 1.98 1.00 0.00 1.53 0.00 0.47 -3.05 119.26 121.20 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 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1zgw h ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1zgw n ALA 64 N -2.01 2.52 -2.12 0.00 0.00 0.69 -4.84 120.51 114.74 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 0.46 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 0.71 0.92 3.65 0.00 0.00 -1.15 -5.07 105.19 104.24 1zgw n GLY 65 Ca 0.20 -0.61 -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 -2.77 2.65 -0.34 1.61 0.40 -1.23 -4.98 117.98 113.31 1zgw s PHE 66 Ca 0.00 -0.29 -0.13 0.00 -0.60 0.00 0.00 56.93 55.91 1zgw s PHE 66 Cb 0.00 -1.31 -0.02 0.00 0.51 0.00 0.00 43.02 42.20 1zgw s PHE 66 CO 0.00 0.55 0.25 0.50 0.70 0.00 0.00 175.22 177.22 1zgw s ARG 67 N -3.70 3.52 0.29 0.44 3.00 0.98 -4.69 118.95 118.79 1zgw s ARG 67 Ca 0.33 -0.62 -0.30 0.00 -1.00 0.00 0.00 55.73 54.15 1zgw s ARG 67 Cb -0.05 -3.80 -0.11 0.00 0.00 0.00 0.00 34.95 30.99 1zgw s ARG 67 CO 0.20 -0.44 1.55 -1.25 0.00 0.00 0.00 175.30 175.36 1zgw s PRO 68 N 1.74 4.16 -0.04 5.12 0.04 -1.26 -3.81 135.00 140.95 1zgw s PRO 68 Ca 0.06 2.51 -0.30 0.00 0.04 0.00 0.00 61.00 63.32 1zgw s PRO 68 Cb -0.17 -3.04 -0.07 0.00 0.04 0.00 0.00 34.50 31.26 1zgw s PRO 68 CO 0.11 -0.57 1.92 0.00 0.04 0.00 0.00 177.00 178.50 1zgw n LYS 70 N 7.68 0.00 -0.11 0.00 0.00 -1.26 0.11 118.16 124.58 1zgw n LYS 70 Ca 0.21 0.12 -0.15 0.00 0.00 0.00 0.00 58.31 58.49 1zgw n LYS 70 Cb 0.42 -1.53 -0.12 0.00 0.00 0.00 0.00 35.03 33.81 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 -1.05 0.69 -0.01 1.64 0.63 -1.26 -4.18 116.66 113.12 1zgw n ARG 71 Ca 0.00 0.10 0.12 0.00 -0.92 0.00 0.00 57.85 57.15 1zgw n ARG 71 Cb 0.03 -1.47 0.19 0.00 0.45 0.00 0.00 32.46 31.66 1zgw n ARG 71 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1zgw n GLN 73 N 1.13 0.60 0.14 0.00 0.00 0.30 -4.56 117.38 115.00 1zgw n GLN 73 Ca 0.15 0.28 0.10 0.00 -0.00 0.00 0.00 57.00 57.54 1zgw n GLN 73 Cb 0.55 -1.54 0.06 0.00 0.00 0.00 0.00 30.24 29.31 1zgw n GLN 73 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1zgw h PRO 74 N -0.79 0.00 -7.62 3.69 0.13 -1.77 -3.47 132.00 122.18 1zgw h PRO 74 Ca -0.63 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.07 1zgw h PRO 74 Cb 1.64 0.00 0.18 0.00 0.13 0.00 0.00 31.00 32.95 1zgw h PRO 74 CO -0.32 0.05 0.28 0.16 -0.23 0.00 0.00 178.00 177.93 1zgw s ASP 75 N -5.77 1.89 -0.10 1.44 -4.77 -1.25 -5.05 116.67 103.06 1zgw s ASP 75 Ca 0.02 0.41 0.00 0.00 -3.30 0.00 0.00 52.55 49.69 1zgw s ASP 75 Cb 0.08 -0.53 -0.02 0.00 -1.09 0.00 0.00 42.92 41.36 1zgw s ASP 75 CO 0.75 -3.51 -0.10 -0.54 0.70 0.00 0.00 175.17 172.47 1zgw s LYS 76 N -5.67 3.08 0.00 2.11 -0.14 -1.26 -4.99 119.74 112.86 1zgw s LYS 76 Ca 0.73 -0.62 0.00 0.00 -1.36 0.00 0.00 55.97 54.72 1zgw s LYS 76 Cb -0.06 -2.62 0.00 0.00 -1.68 0.00 0.00 37.83 33.46 1zgw s LYS 76 CO 0.55 0.43 0.00 0.00 -0.76 0.00 0.00 175.35 175.57 1zgw n ALA 77 N 2.90 0.00 0.13 5.17 0.00 -1.26 -4.08 120.51 123.38 1zgw n ALA 77 Ca -0.18 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.38 1zgw n ALA 77 Cb 0.53 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.60 1zgw n ALA 77 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1zgw h ASN 78 N 0.00 0.08 0.19 0.00 -0.26 0.42 1.46 115.58 117.46 1zgw h ASN 78 Ca 0.00 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1zgw h ASN 78 Cb 0.00 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 1zgw h ASN 78 CO 0.00 0.05 0.00 1.55 -1.06 0.00 0.00 177.43 177.97 1zgw h PRO 79 N 0.09 0.00 -0.02 0.81 0.13 -1.87 -3.11 132.00 128.03 1zgw h PRO 79 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1zgw h PRO 79 Cb 0.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 1zgw h PRO 79 CO -0.01 0.00 -0.04 -0.09 -0.23 0.00 0.00 178.00 177.63 1zgw h ARG 80 N 0.00 -0.03 -1.04 0.86 9.65 0.19 0.34 114.38 124.35 1zgw h ARG 80 Ca 0.00 0.00 0.27 0.00 -1.10 0.00 0.00 59.98 59.16 1zgw h ARG 80 Cb 0.10 0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.60 1zgw h ARG 80 CO 0.00 -0.02 0.69 1.96 2.80 0.00 0.00 179.97 185.40 1zgw h GLN 81 N -0.03 0.30 -0.17 0.20 1.08 -1.69 -0.75 115.11 114.05 1zgw h GLN 81 Ca 0.00 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.12 1zgw h GLN 81 Cb 0.04 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1zgw h GLN 81 CO -0.04 0.20 -0.15 1.25 -0.95 0.00 0.00 178.83 179.14 1zgw h HIS 82 N 0.31 0.47 0.00 2.96 2.76 -1.33 -1.11 115.15 119.21 1zgw h HIS 82 Ca 0.57 -0.14 -0.03 0.00 -2.20 0.00 0.00 60.37 58.57 1zgw h HIS 82 Cb 1.62 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 30.47 1zgw h HIS 82 CO -0.00 0.76 -0.14 -0.09 -1.30 0.00 0.00 177.93 177.16 1zgw h ARG 83 N 0.05 0.00 0.02 5.26 2.43 0.28 -1.66 114.38 120.76 1zgw h ARG 83 Ca 0.03 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.99 1zgw h ARG 83 Cb 0.67 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 1zgw h ARG 83 CO 0.04 0.14 -0.97 -0.07 -1.51 0.00 0.00 179.97 177.61 1zgw h LEU 84 N 0.00 0.13 -1.20 3.80 -0.00 -0.91 -2.82 115.31 114.30 1zgw h LEU 84 Ca -0.00 -0.12 -0.00 0.00 -0.00 0.00 0.00 57.88 57.75 1zgw h LEU 84 Cb 0.48 -0.04 -0.04 0.00 -0.00 0.00 0.00 40.66 41.07 1zgw h LEU 84 CO 0.02 1.02 0.46 0.44 -0.00 0.00 0.00 178.44 180.37 1zgw h ASP 85 N 0.04 0.88 0.12 -0.43 3.32 -0.25 -2.09 116.42 118.00 1zgw h ASP 85 Ca -0.04 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1zgw h ASP 85 Cb 1.66 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.99 1zgw h ASP 85 CO 0.14 0.67 -0.07 0.50 -1.72 0.00 0.00 179.24 178.75 1zgw h LYS 86 N 1.02 -0.18 -0.73 3.56 3.64 -1.25 -2.61 116.57 120.01 1zgw h LYS 86 Ca 0.27 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1zgw h LYS 86 Cb -0.06 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 1zgw h LYS 86 CO -0.05 -0.12 0.49 0.82 -2.27 0.00 0.00 179.45 178.31 1zgw h ILE 87 N -0.19 1.19 -0.63 2.00 2.04 -1.20 -0.82 117.51 119.90 1zgw h ILE 87 Ca -0.01 -0.34 0.09 0.00 1.00 0.00 0.00 64.86 65.60 1zgw h ILE 87 Cb 0.16 0.11 -0.07 0.00 -0.74 0.00 0.00 36.82 36.28 1zgw h ILE 87 CO 0.01 0.18 0.27 0.74 0.00 0.00 0.00 178.15 179.35 1zgw h THR 88 N 0.99 0.81 -0.82 -0.27 2.02 -1.09 0.79 112.91 115.35 1zgw h THR 88 Ca 0.27 -0.16 0.09 0.00 0.77 0.00 0.00 66.41 67.38 1zgw h THR 88 Cb -0.12 0.29 -0.06 0.00 -1.74 0.00 0.00 68.15 66.53 1zgw h THR 88 CO -0.06 0.09 0.53 -0.74 0.37 0.00 0.00 175.52 175.71 1zgw h HIS 89 N 0.48 0.83 -1.00 3.16 6.17 -0.81 0.48 115.15 124.45 1zgw h HIS 89 Ca 0.31 0.02 0.12 0.00 0.71 0.00 0.00 60.37 61.53 1zgw h HIS 89 Cb 0.35 -0.27 -0.08 0.00 2.52 0.00 0.00 27.41 29.93 1zgw h HIS 89 CO -0.14 0.39 0.63 0.00 0.71 0.00 0.00 177.93 179.52 1zgw h ALA 90 N 1.59 1.50 -0.18 5.26 0.00 0.12 0.50 119.26 128.05 1zgw h ALA 90 Ca 0.37 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1zgw h ALA 90 Cb 0.42 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1zgw h ALA 90 CO -0.15 0.24 0.09 0.00 0.00 0.00 0.00 179.25 179.43 1zgw h ARG 92 N 0.17 -0.23 -0.78 0.00 2.43 -0.40 0.21 114.38 115.77 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 0.12 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 1zgw h ARG 92 CO -0.01 -0.15 0.51 -0.07 -1.51 0.00 0.00 179.97 178.74 1zgw h LEU 93 N -0.24 0.64 -0.10 3.80 4.07 -1.07 1.73 115.31 124.14 1zgw h LEU 93 Ca 0.18 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1zgw h LEU 93 Cb 0.54 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.16 1zgw h LEU 93 CO -0.57 0.38 0.00 0.18 -1.08 0.00 0.00 178.44 177.35 1zgw n LEU 94 N -4.50 0.08 0.00 1.67 4.32 0.67 -2.80 117.00 116.44 1zgw n LEU 94 Ca 0.13 0.52 0.00 0.00 -0.02 0.00 0.00 56.01 56.64 1zgw n LEU 94 Cb 0.33 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.62 1zgw n LEU 94 CO 0.32 -0.32 0.01 1.21 -1.22 0.00 0.00 177.39 177.39 1zgw n GLU 95 N -1.59 2.67 -0.04 3.23 4.07 -0.01 -4.54 120.64 124.43 1zgw n GLU 95 Ca 0.03 -0.02 -0.15 0.00 -0.06 0.00 0.00 57.16 56.95 1zgw n GLU 95 Cb 0.15 -0.26 -0.13 0.00 -0.06 0.00 0.00 31.44 31.14 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 0.09 0.00 5.31 4.15 0.27 -3.46 115.11 121.46 1zgw h GLN 96 Ca 0.00 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.29 1zgw h GLN 96 Cb 0.03 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1zgw h GLN 96 CO 0.00 1.01 0.00 -0.85 -1.93 0.00 0.00 178.83 177.06 1zgw n GLU 97 N -4.51 2.47 -0.06 1.69 0.28 -1.16 -5.06 120.64 114.29 1zgw n GLU 97 Ca -0.11 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.83 1zgw n GLU 97 Cb 0.54 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.39 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 1.05 -2.05 3.84 -1.04 -1.26 -4.91 114.28 109.91 1zgw n THR 98 Ca 0.00 0.25 -0.40 0.00 -2.04 0.00 0.00 64.05 61.86 1zgw n THR 98 Cb 0.00 -2.11 -0.01 0.00 -1.82 0.00 0.00 70.33 66.39 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 -2.28 4.14 0.46 -2.82 0.04 -1.26 -4.96 135.00 128.32 1zgw s PRO 99 Ca -0.19 2.23 -0.21 0.00 0.04 0.00 0.00 61.00 62.88 1zgw s PRO 99 Cb 0.03 -2.91 -0.10 0.00 0.04 0.00 0.00 34.50 31.56 1zgw s PRO 99 CO 0.28 -0.38 1.00 0.08 0.04 0.00 0.00 177.00 178.02 1zgw s VAL 100 N -1.19 4.07 -0.49 -0.36 1.01 -1.26 -4.83 120.40 117.34 1zgw s VAL 100 Ca 0.53 1.30 -0.06 0.00 0.00 0.00 0.00 61.98 63.75 1zgw s VAL 100 Cb -0.40 -3.53 0.13 0.00 0.00 0.00 0.00 36.38 32.58 1zgw s VAL 100 CO 0.52 -0.26 0.33 0.42 0.00 0.00 0.00 175.10 176.11 1zgw s THR 101 N -2.06 3.84 0.00 3.92 -4.23 -1.26 -4.54 115.64 111.32 1zgw s THR 101 Ca 0.64 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1zgw s THR 101 Cb -0.13 -3.55 0.00 0.00 1.34 0.00 0.00 72.50 70.16 1zgw s THR 101 CO 0.17 -0.77 0.00 -0.11 -0.54 0.00 0.00 174.62 173.37 1zgw n LEU 102 N 4.52 0.44 -0.26 4.79 -0.00 -1.26 -4.63 117.00 120.60 1zgw n LEU 102 Ca -0.02 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.11 1zgw n LEU 102 Cb 0.41 0.00 0.24 0.00 -0.00 0.00 0.00 43.42 44.06 1zgw n LEU 102 CO 0.37 0.07 0.61 1.21 -0.00 0.00 0.00 177.39 179.66 1zgw n GLU 103 N -1.38 -0.06 -0.09 1.96 0.00 -1.26 0.55 120.64 120.36 1zgw n GLU 103 Ca 0.00 1.12 -0.14 0.00 0.00 0.00 0.00 57.16 58.14 1zgw n GLU 103 Cb 0.19 -1.80 -0.04 0.00 0.00 0.00 0.00 31.44 29.79 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 1.50 0.44 -0.37 4.31 0.00 -1.96 0.92 119.26 124.10 1zgw h ALA 104 Ca 0.47 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1zgw h ALA 104 Cb 1.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1zgw h ALA 104 CO -0.70 0.56 -0.37 -0.07 0.00 0.00 0.00 179.25 178.67 1zgw h LEU 105 N 0.55 0.97 -0.66 0.00 4.07 -0.24 -1.76 115.31 118.24 1zgw h LEU 105 Ca 0.03 -0.47 -0.12 0.00 0.08 0.00 0.00 57.88 57.40 1zgw h LEU 105 Cb 1.02 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.47 1zgw h LEU 105 CO 0.10 1.24 -0.27 0.00 -1.08 0.00 0.00 178.44 178.43 1zgw h ALA 106 N 0.76 0.85 -0.60 1.53 0.00 -0.12 -2.03 119.26 119.66 1zgw h ALA 106 Ca 0.06 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 1zgw h ALA 106 Cb 0.96 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1zgw h ALA 106 CO 0.09 0.64 0.15 -0.44 0.00 0.00 0.00 179.25 179.69 1zgw h ASP 107 N 0.65 0.87 -0.03 0.00 5.19 -0.68 0.22 116.42 122.63 1zgw h ASP 107 Ca 0.08 -0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1zgw h ASP 107 Cb 0.78 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.07 1zgw h ASP 107 CO 0.06 0.84 -0.00 -0.61 -3.12 0.00 0.00 179.24 176.41 1zgw h GLN 108 N 0.89 0.05 0.00 3.56 4.15 -1.02 -2.82 115.11 119.92 1zgw h GLN 108 Ca 0.19 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1zgw h GLN 108 Cb 0.31 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1zgw h GLN 108 CO -0.00 0.37 0.00 0.28 -1.93 0.00 0.00 178.83 177.54 1zgw h VAL 109 N -0.27 0.00 -0.03 2.39 2.07 -1.20 -3.46 116.25 115.75 1zgw h VAL 109 Ca 0.01 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1zgw h VAL 109 Cb 0.35 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1zgw h VAL 109 CO 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.58 1zgw n ALA 110 N -1.94 -0.01 -3.65 1.67 0.00 0.67 -5.03 120.51 112.22 1zgw n ALA 110 Ca 0.02 0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.34 1zgw n ALA 110 Cb 0.29 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 1zgw n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1zgw n MET 111 N -2.64 0.22 -1.43 0.00 0.00 -0.55 -5.01 117.12 107.72 1zgw n MET 111 Ca -0.00 -1.72 -0.29 0.00 0.00 0.00 0.00 57.70 55.69 1zgw n MET 111 Cb 0.10 1.43 0.15 0.00 0.00 0.00 0.00 33.22 34.90 1zgw n MET 111 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1zgw s SER 112 N -2.21 3.21 0.44 3.17 0.01 -1.26 -4.34 113.70 112.72 1zgw s SER 112 Ca 0.20 1.02 0.18 0.00 1.31 0.00 0.00 55.95 58.67 1zgw s SER 112 Cb 0.01 -1.62 1.03 0.00 0.21 0.00 0.00 66.02 65.65 1zgw s SER 112 CO 0.14 -2.74 1.94 1.55 0.41 0.00 0.00 173.24 174.55 1zgw h PRO 113 N -1.63 0.00 -0.21 12.44 0.13 -1.94 -3.16 132.00 137.63 1zgw h PRO 113 Ca -0.52 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 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 0.61 0.24 -0.09 0.74 -0.23 0.00 0.00 178.00 179.27 1zgw h PHE 114 N 0.00 0.49 0.00 1.56 -1.00 -2.00 -1.72 116.94 114.27 1zgw h PHE 114 Ca -0.00 -0.12 -0.01 0.00 2.81 0.00 0.00 57.97 60.65 1zgw h PHE 114 Cb 0.48 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 39.92 1zgw h PHE 114 CO 0.00 0.71 -0.05 1.25 -1.61 0.00 0.00 178.31 178.60 1zgw h HIS 115 N 0.14 0.00 -0.43 -0.55 2.76 -1.95 -1.44 115.15 113.68 1zgw h HIS 115 Ca 0.05 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.12 1zgw h HIS 115 Cb 0.57 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.51 1zgw h HIS 115 CO 0.06 0.05 -0.14 1.25 -1.30 0.00 0.00 177.93 177.85 1zgw h LEU 116 N 0.00 0.80 -0.82 0.26 7.12 -1.45 0.75 115.31 121.97 1zgw h LEU 116 Ca -0.00 -0.26 -0.10 0.00 0.13 0.00 0.00 57.88 57.65 1zgw h LEU 116 Cb 0.58 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.48 1zgw h LEU 116 CO 0.01 0.95 -0.22 0.45 -0.13 0.00 0.00 178.44 179.50 1zgw h HIS 117 N 0.72 0.72 -0.22 1.25 3.86 -0.63 -0.78 115.15 120.07 1zgw h HIS 117 Ca 0.11 -0.15 -0.04 0.00 -1.16 0.00 0.00 60.37 59.13 1zgw h HIS 117 Cb 0.64 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 1zgw h HIS 117 CO 0.03 0.81 -0.04 -0.09 0.86 0.00 0.00 177.93 179.50 1zgw h ARG 118 N 0.57 0.33 -0.19 2.45 9.65 -0.31 -2.07 114.38 124.81 1zgw h ARG 118 Ca 0.08 -0.06 -0.09 0.00 -1.10 0.00 0.00 59.98 58.81 1zgw h ARG 118 Cb 0.68 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.21 1zgw h ARG 118 CO 0.05 0.40 -0.22 1.25 2.80 0.00 0.00 179.97 184.25 1zgw h LEU 119 N 0.32 0.52 -0.99 3.80 7.12 -0.03 -1.34 115.31 124.72 1zgw h LEU 119 Ca 0.07 -0.49 0.22 0.00 0.13 0.00 0.00 57.88 57.81 1zgw h LEU 119 Cb 0.29 -0.15 -0.12 0.00 -0.53 0.00 0.00 40.66 40.15 1zgw h LEU 119 CO 0.01 0.91 0.58 0.15 -0.13 0.00 0.00 178.44 179.96 1zgw h PHE 120 N 0.15 1.00 -0.18 1.25 3.04 -0.55 0.14 116.94 121.79 1zgw h PHE 120 Ca 0.03 0.04 -0.07 0.00 3.98 0.00 0.00 57.97 61.94 1zgw h PHE 120 Cb 0.77 -0.29 -0.00 0.00 2.56 0.00 0.00 35.95 38.99 1zgw h PHE 120 CO 0.08 0.12 -0.17 -0.22 -2.02 0.00 0.00 178.31 176.10 1zgw h LYS 121 N 0.64 0.43 0.21 1.11 1.63 -1.19 -0.08 116.57 119.31 1zgw h LYS 121 Ca 0.61 -0.23 -0.00 0.00 -0.85 0.00 0.00 60.65 60.18 1zgw h LYS 121 Cb 1.06 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 1zgw h LYS 121 CO -0.44 0.79 -0.16 0.00 -3.45 0.00 0.00 179.45 176.19 1zgw h ALA 122 N 0.63 -0.36 0.47 5.00 0.00 0.29 1.29 119.26 126.59 1zgw h ALA 122 Ca 0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1zgw h ALA 122 Cb 0.71 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1zgw h ALA 122 CO 0.04 -0.72 -0.23 1.15 0.00 0.00 0.00 179.25 179.50 1zgw h THR 123 N -0.38 0.13 -0.90 0.00 2.02 -0.91 -3.04 112.91 109.82 1zgw h THR 123 Ca -0.01 -0.55 0.23 0.00 0.77 0.00 0.00 66.41 66.84 1zgw h THR 123 Cb 0.34 0.20 -0.06 0.00 -1.74 0.00 0.00 68.15 66.90 1zgw h THR 123 CO -0.02 0.03 0.61 0.00 0.37 0.00 0.00 175.52 176.51 1zgw h THR 124 N -1.12 0.62 0.00 3.16 1.03 -1.04 -3.46 112.91 112.09 1zgw h THR 124 Ca -0.06 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 66.25 1zgw h THR 124 Cb 0.53 0.36 0.00 0.00 -1.07 0.00 0.00 68.15 67.97 1zgw h THR 124 CO 0.11 0.04 0.00 0.61 -0.01 0.00 0.00 175.52 176.27 1zgw n GLY 125 N -1.59 3.09 2.69 2.99 0.00 0.44 -4.92 105.19 107.90 1zgw n GLY 125 Ca 0.19 -1.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.13 1zgw n GLY 125 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1zgw n MET 126 N 0.00 1.22 -2.78 1.61 0.00 -1.05 -4.72 117.12 111.40 1zgw n MET 126 Ca 0.00 -1.96 -0.02 0.00 0.00 0.00 0.00 57.70 55.73 1zgw n MET 126 Cb 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 33.22 33.08 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 -0.25 -0.45 0.00 2.03 2.01 -1.26 -5.00 115.64 112.71 1zgw s THR 127 Ca 0.21 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 61.94 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 -0.08 0.00 0.00 -0.81 -0.69 0.00 0.00 174.62 173.04 1zgw n PRO 128 N 3.17 0.00 0.32 4.92 -0.04 -1.26 -2.99 135.00 139.12 1zgw n PRO 128 Ca 0.11 0.00 0.20 0.00 -0.04 0.00 0.00 63.50 63.77 1zgw n PRO 128 Cb 0.62 0.00 1.09 0.00 -0.04 0.00 0.00 33.50 35.16 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 -0.31 0.54 1.63 -1.89 -0.51 116.57 116.02 1zgw h LYS 129 Ca 0.00 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.66 1zgw h LYS 129 Cb 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1zgw h LYS 129 CO 0.00 0.00 -0.38 0.00 -3.45 0.00 0.00 179.45 175.62 1zgw h ALA 130 N 1.93 0.75 -0.29 5.00 0.00 -1.93 -0.17 119.26 124.55 1zgw h ALA 130 Ca 0.01 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1zgw h ALA 130 Cb 0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1zgw h ALA 130 CO -0.00 0.66 -0.04 2.35 0.00 0.00 0.00 179.25 182.22 1zgw h TRP 131 N 0.61 0.47 -0.10 0.00 -0.00 -0.99 0.76 115.95 116.70 1zgw h TRP 131 Ca 0.05 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.89 58.87 1zgw h TRP 131 Cb 0.92 -0.14 -0.00 0.00 -0.00 0.00 0.00 29.16 29.94 1zgw h TRP 131 CO 0.05 0.50 -0.04 0.37 -0.00 0.00 0.00 178.44 179.32 1zgw h GLN 132 N 0.44 0.21 -0.56 2.65 5.75 -1.29 -1.98 115.11 120.31 1zgw h GLN 132 Ca 0.09 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 1zgw h GLN 132 Cb 0.35 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.86 1zgw h GLN 132 CO 0.01 0.54 0.28 0.37 -2.65 0.00 0.00 178.83 177.38 1zgw h GLN 133 N -0.13 0.80 0.71 1.69 5.75 -0.53 -2.02 115.11 121.38 1zgw h GLN 133 Ca 0.02 -0.11 -0.03 0.00 -0.15 0.00 0.00 58.65 58.38 1zgw h GLN 133 Cb 0.47 -0.15 0.01 0.00 1.07 0.00 0.00 27.48 28.88 1zgw h GLN 133 CO 0.01 0.65 -0.34 0.00 -2.65 0.00 0.00 178.83 176.50 1zgw h ALA 134 N 1.11 -0.96 -0.71 3.38 0.00 -0.86 -0.74 119.26 120.48 1zgw h ALA 134 Ca 0.19 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 55.05 1zgw h ALA 134 Cb 0.10 0.37 -0.13 0.00 0.00 0.00 0.00 17.79 18.13 1zgw h ALA 134 CO -0.03 -0.89 -0.08 -1.49 0.00 0.00 0.00 179.25 176.77 1zgw h TRP 135 N -1.24 -0.19 -0.80 0.00 -0.00 -1.40 0.63 115.95 112.95 1zgw h TRP 135 Ca -0.10 0.06 0.03 0.00 -0.00 0.00 0.00 58.89 58.88 1zgw h TRP 135 Cb 0.73 0.20 -0.04 0.00 -0.00 0.00 0.00 29.16 30.04 1zgw h TRP 135 CO 0.00 -0.26 0.53 -0.09 -0.00 0.00 0.00 178.44 178.62 1zgw h ARG 136 N 0.05 0.98 -0.20 0.49 2.43 -1.34 0.44 114.38 117.24 1zgw h ARG 136 Ca 0.37 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.44 1zgw h ARG 136 Cb 0.61 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1zgw h ARG 136 CO -0.67 0.65 -0.05 0.00 -1.51 0.00 0.00 179.97 178.39 1zgw h ALA 137 N 1.53 1.55 0.00 2.80 0.00 0.18 -1.48 119.26 123.84 1zgw h ALA 137 Ca 0.31 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1zgw h ALA 137 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1zgw h ALA 137 CO -0.08 0.32 -1.05 -0.09 0.00 0.00 0.00 179.25 178.35 1zgw h ARG 138 N 0.29 0.00 0.00 0.00 2.43 -0.11 -3.51 114.38 113.49 1zgw h ARG 138 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1zgw h ARG 138 Cb 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1zgw h ARG 138 CO 0.01 0.15 0.00 -2.13 -1.51 0.00 0.00 179.97 176.49