#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 -3.16 -4.13 2.12 3.00 -1.26 -5.00 118.16 109.73 1zgw n LYS 2 Ca 0.00 2.54 -0.26 0.00 -0.00 0.00 0.00 58.31 60.59 1zgw n LYS 2 Cb 0.00 -3.86 -0.06 0.00 0.00 0.00 0.00 35.03 31.10 1zgw n LYS 2 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1zgw s LYS 3 N -0.85 2.72 0.00 1.64 1.02 -1.26 -5.07 119.74 117.94 1zgw s LYS 3 Ca -0.12 -0.97 0.00 0.00 0.02 0.00 0.00 55.97 54.90 1zgw s LYS 3 Cb 0.01 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 34.78 1zgw s LYS 3 CO 0.55 0.47 0.00 0.00 -0.92 0.00 0.00 175.35 175.45 1zgw n ALA 4 N -0.33 0.00 -0.63 5.17 0.00 -1.26 -4.73 120.51 118.73 1zgw n ALA 4 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 1zgw n ALA 4 Cb 0.55 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.88 1.91 -1.54 0.00 -1.04 -1.26 -4.40 114.28 107.06 1zgw n THR 5 Ca 0.00 -0.98 -0.00 0.00 -2.04 0.00 0.00 64.05 61.03 1zgw n THR 5 Cb 0.00 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 66.67 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 -0.93 0.00 -3.47 0.00 0.00 -1.26 -5.03 117.00 106.31 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 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.82 1zgw n LEU 7 CO 0.02 0.00 3.12 0.41 0.00 0.00 0.00 177.39 180.94 1zgw n THR 8 N 0.00 3.96 0.08 1.96 -1.04 -1.26 -4.57 114.28 113.41 1zgw n THR 8 Ca 0.00 -2.72 0.20 0.00 -2.04 0.00 0.00 64.05 59.49 1zgw n THR 8 Cb 0.00 -2.61 0.74 0.00 -1.82 0.00 0.00 70.33 66.65 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 5.41 0.00 -0.59 8.00 3.04 -1.98 0.67 116.42 130.97 1zgw h ASP 9 Ca 0.76 0.00 0.05 0.00 -3.24 0.00 0.00 57.03 54.59 1zgw h ASP 9 Cb 0.42 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.66 1zgw h ASP 9 CO 1.82 0.00 0.32 0.44 -2.04 0.00 0.00 179.24 179.79 1zgw h ASP 10 N 0.00 0.48 0.85 4.15 3.32 -1.99 0.49 116.42 123.72 1zgw h ASP 10 Ca 0.20 0.03 -0.24 0.00 0.02 0.00 0.00 57.03 57.04 1zgw h ASP 10 Cb 1.07 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 1zgw h ASP 10 CO -0.00 0.32 -1.13 -0.61 -1.72 0.00 0.00 179.24 176.10 1zgw h GLN 11 N 0.61 0.08 -0.89 3.56 4.15 -0.13 -1.93 115.11 120.57 1zgw h GLN 11 Ca 0.26 -0.14 0.14 0.00 0.77 0.00 0.00 58.65 59.68 1zgw h GLN 11 Cb 0.14 0.05 -0.09 0.00 0.21 0.00 0.00 27.48 27.79 1zgw h GLN 11 CO -0.16 1.03 0.50 0.00 -1.93 0.00 0.00 178.83 178.27 1zgw h ARG 12 N 0.02 0.71 -0.86 1.69 2.47 -0.05 1.65 114.38 120.01 1zgw h ARG 12 Ca -0.07 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.59 1zgw h ARG 12 Cb 1.85 -0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 29.97 1zgw h ARG 12 CO 0.15 0.47 0.47 2.35 0.56 0.00 0.00 179.97 183.97 1zgw h TRP 13 N 0.73 1.18 -0.41 3.04 -0.00 0.16 0.49 115.95 121.14 1zgw h TRP 13 Ca 0.47 -0.03 0.00 0.00 -0.00 0.00 0.00 58.89 59.34 1zgw h TRP 13 Cb 0.61 -0.38 -0.02 0.00 -0.00 0.00 0.00 29.16 29.38 1zgw h TRP 13 CO -0.06 0.82 0.26 0.37 -0.00 0.00 0.00 178.44 179.83 1zgw h GLN 14 N 1.20 0.55 -0.11 2.65 -0.00 0.28 0.43 115.11 120.11 1zgw h GLN 14 Ca 0.30 -0.04 -0.12 0.00 -0.00 0.00 0.00 58.65 58.80 1zgw h GLN 14 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.38 1zgw h GLN 14 CO -0.05 0.37 -0.45 0.77 0.00 0.00 0.00 178.83 179.47 1zgw h SER 15 N 0.56 0.27 0.30 -0.69 0.02 0.36 0.79 113.55 115.16 1zgw h SER 15 Ca 0.15 -0.12 -0.18 0.00 -0.84 0.00 0.00 61.79 60.80 1zgw h SER 15 Cb -0.04 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1zgw h SER 15 CO -0.03 0.69 -0.72 0.58 -1.14 0.00 0.00 176.83 176.21 1zgw h VAL 16 N 0.21 1.39 0.03 2.27 2.07 0.38 0.84 116.25 123.44 1zgw h VAL 16 Ca 0.01 -2.15 -0.30 0.00 0.82 0.00 0.00 66.70 65.08 1zgw h VAL 16 Cb 0.88 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.73 1zgw h VAL 16 CO 0.07 0.64 -1.70 -0.07 0.02 0.00 0.00 177.57 176.53 1zgw h LEU 17 N 0.25 0.09 -0.03 2.57 3.38 -0.26 -3.29 115.31 118.02 1zgw h LEU 17 Ca -0.03 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1zgw h LEU 17 Cb 1.29 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1zgw h LEU 17 CO 0.12 1.17 0.00 0.00 0.09 0.00 0.00 178.44 179.82 1zgw n ALA 18 N -2.62 2.25 -3.57 1.53 0.00 0.27 -4.91 120.51 113.47 1zgw n ALA 18 Ca -0.18 -0.06 -0.23 0.00 0.00 0.00 0.00 53.44 52.96 1zgw n ALA 18 Cb 1.04 -1.45 0.08 0.00 0.00 0.00 0.00 19.45 19.12 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 -7.75 -1.99 0.00 1.85 0.17 -4.88 116.66 102.27 1zgw n ARG 19 Ca 0.06 0.82 -0.43 0.00 -1.00 0.00 0.00 57.85 57.30 1zgw n ARG 19 Cb 0.36 -5.84 -0.03 0.00 -1.05 0.00 0.00 32.46 25.91 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 -3.41 5.91 0.00 2.89 2.15 -0.48 -4.68 116.67 119.04 1zgw s ASP 20 Ca 0.52 1.36 0.05 0.00 0.43 0.00 0.00 52.55 54.91 1zgw s ASP 20 Cb -0.23 -2.53 0.27 0.00 -0.30 0.00 0.00 42.92 40.14 1zgw s ASP 20 CO 0.72 -1.69 0.68 -0.81 -0.17 0.00 0.00 175.17 173.90 1zgw n PRO 21 N 8.40 0.40 -0.00 4.34 -0.04 -1.26 -1.53 135.00 145.31 1zgw n PRO 21 Ca 0.23 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.78 1zgw n PRO 21 Cb 0.46 -1.18 -0.12 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.68 0.85 -0.21 3.54 5.15 -1.26 -4.05 115.26 118.60 1zgw n ASN 22 Ca 0.03 -0.83 0.06 0.00 -0.60 0.00 0.00 54.58 53.24 1zgw n ASN 22 Cb 0.02 1.13 -0.02 0.00 -0.53 0.00 0.00 39.78 40.38 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 -1.57 3.05 -2.69 5.20 0.00 -0.58 -4.77 120.51 119.16 1zgw n ALA 23 Ca 0.03 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.61 1zgw n ALA 23 Cb 0.34 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.64 7.30 0.00 0.00 2.15 -1.17 -2.10 116.67 121.21 1zgw s ASP 24 Ca 0.09 1.60 0.00 0.00 0.43 0.00 0.00 52.55 54.66 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 0.33 -0.37 0.00 0.61 -0.17 0.00 0.00 175.17 175.58 1zgw n GLY 25 N 3.01 3.16 0.11 2.66 0.00 -1.26 0.50 105.19 113.37 1zgw n GLY 25 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1zgw n GLY 25 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1zgw n GLU 26 N -0.95 0.58 -4.18 1.61 4.07 -0.93 -4.77 120.64 116.06 1zgw n GLU 26 Ca 0.00 0.54 -0.12 0.00 -0.06 0.00 0.00 57.16 57.53 1zgw n GLU 26 Cb 0.00 -1.74 -0.09 0.00 -0.06 0.00 0.00 31.44 29.55 1zgw n GLU 26 CO 0.00 0.00 0.00 -0.59 -0.06 0.00 0.00 177.13 176.48 1zgw s PHE 27 N -2.38 1.10 0.40 4.31 -0.12 -0.89 -4.28 117.98 116.12 1zgw s PHE 27 Ca -0.29 -1.33 0.03 0.00 -0.05 0.00 0.00 56.93 55.30 1zgw s PHE 27 Cb 0.06 -0.49 -0.03 0.00 -0.63 0.00 0.00 43.02 41.93 1zgw s PHE 27 CO 0.60 -0.68 0.09 0.14 -0.05 0.00 0.00 175.22 175.32 1zgw s VAL 28 N -4.12 0.86 -0.04 -2.49 -7.23 -0.04 -4.28 120.40 103.06 1zgw s VAL 28 Ca 0.37 -2.00 -0.01 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 34.58 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 -3.17 0.21 -0.35 2.82 -0.12 -1.25 -1.38 117.98 114.73 1zgw s PHE 29 Ca 0.25 0.14 -0.14 0.00 -0.05 0.00 0.00 56.93 57.13 1zgw s PHE 29 Cb 0.04 -0.52 -0.01 0.00 -0.63 0.00 0.00 43.02 41.90 1zgw s PHE 29 CO 0.13 -0.21 0.28 0.00 -0.05 0.00 0.00 175.22 175.37 1zgw s ALA 30 N 1.94 3.50 -0.46 1.99 0.00 0.24 -3.86 121.76 125.11 1zgw s ALA 30 Ca 0.03 -1.39 -0.22 0.00 0.00 0.00 0.00 51.96 50.38 1zgw s ALA 30 Cb -0.12 -2.74 0.03 0.00 0.00 0.00 0.00 23.12 20.29 1zgw s ALA 30 CO -0.03 -1.06 0.73 0.08 0.00 0.00 0.00 175.76 175.47 1zgw s VAL 31 N 1.79 4.71 0.20 0.00 1.01 0.38 -0.73 120.40 127.76 1zgw s VAL 31 Ca 0.07 0.18 0.36 0.00 0.00 0.00 0.00 61.98 62.59 1zgw s VAL 31 Cb -0.17 -4.30 0.40 0.00 0.00 0.00 0.00 36.38 32.31 1zgw s VAL 31 CO 0.11 -0.73 2.05 0.03 0.00 0.00 0.00 175.10 176.56 1zgw h ARG 32 N 8.98 0.00 -0.22 2.72 3.08 0.88 0.13 114.38 129.94 1zgw h ARG 32 Ca -0.25 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.71 1zgw h ARG 32 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 1zgw h ARG 32 CO 0.95 0.00 -0.21 0.00 -1.07 0.00 0.00 179.97 179.64 1zgw h THR 33 N 0.00 1.25 -0.07 2.04 1.03 -1.91 -3.05 112.91 112.20 1zgw h THR 33 Ca 0.00 -1.14 0.00 0.00 -0.01 0.00 0.00 66.41 65.26 1zgw h THR 33 Cb 0.42 1.31 0.00 0.00 -1.07 0.00 0.00 68.15 68.81 1zgw h THR 33 CO 0.00 0.36 0.00 1.07 -0.01 0.00 0.00 175.52 176.94 1zgw n THR 34 N -4.16 0.32 -2.80 0.00 5.66 -0.97 -4.98 114.28 107.35 1zgw n THR 34 Ca -0.00 -0.66 -0.22 0.00 -3.05 0.00 0.00 64.05 60.12 1zgw n THR 34 Cb 0.36 0.92 0.02 0.00 -1.55 0.00 0.00 70.33 70.09 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 0.25 -0.51 3.47 1.09 0.00 0.39 -4.86 105.19 105.01 1zgw n GLY 35 Ca 0.04 0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.11 2.01 0.02 -0.61 1.01 -0.82 0.25 121.20 119.94 1zgw s ILE 36 Ca 0.19 -2.20 -0.08 0.00 0.00 0.00 0.00 60.65 58.55 1zgw s ILE 36 Cb -0.09 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 39.91 1zgw s ILE 36 CO 0.24 -0.30 0.17 0.72 0.00 0.00 0.00 174.94 175.76 1zgw s PHE 37 N -2.78 0.05 0.55 3.97 -0.12 -1.24 0.14 117.98 118.56 1zgw s PHE 37 Ca 0.30 -0.21 0.08 0.00 -0.05 0.00 0.00 56.93 57.06 1zgw s PHE 37 Cb 0.02 -0.04 0.07 0.00 -0.63 0.00 0.00 43.02 42.43 1zgw s PHE 37 CO 0.14 -0.36 0.65 1.03 -0.05 0.00 0.00 175.22 176.63 1zgw s ARG 39 N -1.98 2.32 0.07 1.99 0.52 -1.26 -3.72 118.95 116.89 1zgw s ARG 39 Ca -0.10 -1.74 0.22 0.00 -0.52 0.00 0.00 55.73 53.59 1zgw s ARG 39 Cb -0.04 -2.47 0.89 0.00 0.52 0.00 0.00 34.95 33.85 1zgw s ARG 39 CO -0.01 -0.74 1.68 -0.35 0.02 0.00 0.00 175.30 175.90 1zgw n PRO 40 N -2.05 0.06 -0.82 3.54 -0.04 -1.26 -3.35 135.00 131.08 1zgw n PRO 40 Ca 0.10 0.20 -0.03 0.00 -0.04 0.00 0.00 63.50 63.73 1zgw n PRO 40 Cb 0.62 -1.60 0.19 0.00 -0.04 0.00 0.00 33.50 32.67 1zgw n PRO 40 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1zgw n SER 41 N -1.72 2.42 -4.69 3.54 3.41 -1.26 -2.72 113.62 112.60 1zgw n SER 41 Ca 0.05 -3.83 -0.42 0.00 -0.26 0.00 0.00 58.87 54.40 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 5.60 3.93 -0.10 0.00 -4.01 -1.26 -4.57 116.66 116.25 1zgw n ARG 43 Ca 0.18 -2.93 -0.20 0.00 -1.04 0.00 0.00 57.85 53.86 1zgw n ARG 43 Cb 0.38 -1.96 -0.11 0.00 -3.04 0.00 0.00 32.46 27.73 1zgw n ARG 43 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1zgw h ALA 44 N 3.88 0.22 0.00 2.89 0.00 -2.01 -3.51 119.26 120.74 1zgw h ALA 44 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 53.83 1zgw h ALA 44 Cb 1.55 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.98 1zgw h ALA 44 CO 0.28 0.60 0.00 -2.13 0.00 0.00 0.00 179.25 178.01 1zgw n ARG 45 N -4.47 0.00 -4.09 0.00 3.00 -1.26 -5.19 116.66 104.65 1zgw n ARG 45 Ca -0.28 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.50 1zgw n ARG 45 Cb 0.63 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.99 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 0.53 0.26 -0.14 3.76 -1.26 -5.01 115.29 111.43 1zgw s HIS 46 Ca 0.00 -1.07 0.12 0.00 -0.15 0.00 0.00 55.06 53.96 1zgw s HIS 46 Cb 0.00 -0.39 -0.05 0.00 1.11 0.00 0.00 32.58 33.26 1zgw s HIS 46 CO 0.00 -0.39 -0.19 0.00 -0.85 0.00 0.00 174.74 173.31 1zgw s ALA 47 N -3.93 2.75 1.00 -1.40 0.00 -1.26 -5.12 121.76 113.81 1zgw s ALA 47 Ca 0.08 -1.81 -0.13 0.00 0.00 0.00 0.00 51.96 50.10 1zgw s ALA 47 Cb 0.08 -0.32 0.11 0.00 0.00 0.00 0.00 23.12 22.99 1zgw s ALA 47 CO -0.09 0.31 0.61 1.28 0.00 0.00 0.00 175.76 177.87 1zgw n LEU 48 N -0.46 0.19 0.20 0.00 4.77 -1.26 -4.85 117.00 115.59 1zgw n LEU 48 Ca -0.07 0.21 0.04 0.00 -0.03 0.00 0.00 56.01 56.17 1zgw n LEU 48 Cb 0.59 -1.24 0.46 0.00 -2.33 0.00 0.00 43.42 40.90 1zgw n LEU 48 CO 0.37 -3.11 0.87 -0.09 -1.33 0.00 0.00 177.39 174.09 1zgw h ARG 49 N -1.89 0.03 -0.72 3.23 2.43 -2.00 -3.19 114.38 112.27 1zgw h ARG 49 Ca -0.47 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 58.75 1zgw h ARG 49 Cb 1.30 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.76 1zgw h ARG 49 CO 0.39 0.25 -0.42 -1.91 -1.51 0.00 0.00 179.97 176.76 1zgw n GLU 50 N -4.27 -0.32 -0.44 0.20 0.00 -1.26 0.13 120.64 114.68 1zgw n GLU 50 Ca -0.02 1.29 0.05 0.00 0.00 0.00 0.00 57.16 58.48 1zgw n GLU 50 Cb 0.28 -1.90 0.22 0.00 0.00 0.00 0.00 31.44 30.04 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 -4.66 3.36 -4.35 4.31 3.02 -1.21 -4.84 115.26 110.89 1zgw n ASN 51 Ca 0.01 -2.39 -0.34 0.00 -0.03 0.00 0.00 54.58 51.84 1zgw n ASN 51 Cb 0.19 -0.52 -0.14 0.00 -0.61 0.00 0.00 39.78 38.70 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 -1.86 3.19 0.45 2.41 1.01 0.35 0.13 120.40 126.07 1zgw s VAL 52 Ca 0.31 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1zgw s VAL 52 Cb 0.22 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1zgw s VAL 52 CO 0.12 0.49 0.03 -0.94 0.00 0.00 0.00 175.10 174.80 1zgw s SER 53 N 0.79 3.63 0.12 3.32 1.04 0.10 -4.83 113.70 117.86 1zgw s SER 53 Ca -0.04 -1.55 0.09 0.00 0.48 0.00 0.00 55.95 54.93 1zgw s SER 53 Cb -0.15 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 1zgw s SER 53 CO 0.01 -0.73 -0.23 -0.36 0.98 0.00 0.00 173.24 172.91 1zgw s PHE 54 N -2.94 1.96 0.11 5.02 0.08 -1.26 0.79 117.98 121.75 1zgw s PHE 54 Ca 0.20 -0.41 0.05 0.00 0.12 0.00 0.00 56.93 56.89 1zgw s PHE 54 Cb 0.05 -1.06 -0.04 0.00 -0.57 0.00 0.00 43.02 41.40 1zgw s PHE 54 CO 0.10 0.26 -0.12 0.71 -0.10 0.00 0.00 175.22 176.07 1zgw s TYR 55 N -1.17 1.26 0.15 0.36 2.02 -0.48 -4.89 117.35 114.59 1zgw s TYR 55 Ca 0.09 -0.59 -0.10 0.00 -0.37 0.00 0.00 57.07 56.10 1zgw s TYR 55 Cb -0.10 -0.67 -0.03 0.00 -0.40 0.00 0.00 41.96 40.77 1zgw s TYR 55 CO 0.05 0.08 1.49 0.00 -1.57 0.00 0.00 175.55 175.60 1zgw h ALA 56 N 3.56 0.59 -2.31 3.71 0.00 -1.90 -0.08 119.26 122.83 1zgw h ALA 56 Ca -0.39 -0.45 -0.19 0.00 0.00 0.00 0.00 54.91 53.88 1zgw h ALA 56 Cb 1.19 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 18.71 1zgw h ALA 56 CO 0.51 0.68 -0.67 0.54 0.00 0.00 0.00 179.25 180.31 1zgw s ASN 57 N -6.83 0.68 0.57 0.00 2.20 -1.26 -3.71 114.94 106.59 1zgw s ASN 57 Ca -0.11 -1.10 0.32 0.00 -0.94 0.00 0.00 52.86 51.03 1zgw s ASN 57 Cb 0.11 0.20 1.72 0.00 -2.00 0.00 0.00 41.25 41.28 1zgw s ASN 57 CO 0.88 -0.61 2.16 0.00 -2.94 0.00 0.00 177.10 176.59 1zgw h ALA 58 N 2.93 1.23 -0.20 3.54 0.00 -1.93 -1.98 119.26 122.85 1zgw h ALA 58 Ca -0.35 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.34 1zgw h ALA 58 Cb 1.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1zgw h ALA 58 CO 0.63 0.07 -0.56 1.03 0.00 0.00 0.00 179.25 180.43 1zgw h SER 59 N 0.00 0.68 -0.06 0.00 0.87 -1.96 0.86 113.55 113.95 1zgw h SER 59 Ca -0.00 -0.37 -0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1zgw h SER 59 Cb 0.23 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1zgw h SER 59 CO 0.01 1.10 0.03 -0.08 -0.53 0.00 0.00 176.83 177.36 1zgw h GLU 60 N 0.47 0.08 -0.64 2.24 4.57 -1.78 1.18 114.58 120.71 1zgw h GLU 60 Ca 0.01 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1zgw h GLU 60 Cb 1.11 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.65 1zgw h GLU 60 CO 0.11 0.14 0.41 0.00 -1.18 0.00 0.00 179.01 178.49 1zgw h ALA 61 N 0.93 0.82 0.00 2.92 0.00 -1.28 0.31 119.26 122.97 1zgw h ALA 61 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1zgw h ALA 61 Cb 0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1zgw h ALA 61 CO -0.00 0.18 -0.06 -0.07 0.00 0.00 0.00 179.25 179.30 1zgw h LEU 62 N 0.81 0.00 -0.02 0.00 3.38 0.17 0.14 115.31 119.79 1zgw h LEU 62 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 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 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.51 1zgw h ALA 63 N 1.94 1.00 0.00 1.53 0.00 0.51 -3.09 119.26 121.15 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 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 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 -1.93 2.55 -1.84 0.00 0.00 0.48 -4.84 120.51 114.93 1zgw n ALA 64 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1zgw n ALA 64 Cb 0.47 -1.45 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 0.77 0.85 3.69 0.00 0.00 -1.17 -5.07 105.19 104.25 1zgw n GLY 65 Ca 0.21 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 1zgw n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1zgw s PHE 66 N -2.46 2.76 -0.28 1.61 0.40 -1.22 -4.99 117.98 113.80 1zgw s PHE 66 Ca 0.00 -0.23 -0.11 0.00 -0.60 0.00 0.00 56.93 55.99 1zgw s PHE 66 Cb 0.00 -1.30 -0.05 0.00 0.51 0.00 0.00 43.02 42.18 1zgw s PHE 66 CO 0.00 0.56 0.20 1.03 0.70 0.00 0.00 175.22 177.71 1zgw s ARG 67 N -3.73 3.92 0.27 0.44 0.52 0.14 -4.65 118.95 115.87 1zgw s ARG 67 Ca 0.33 -0.32 -0.30 0.00 -0.52 0.00 0.00 55.73 54.92 1zgw s ARG 67 Cb -0.06 -3.67 -0.10 0.00 0.52 0.00 0.00 34.95 31.64 1zgw s ARG 67 CO 0.21 -0.20 1.47 -1.25 0.02 0.00 0.00 175.30 175.55 1zgw s PRO 68 N 1.77 4.23 -0.03 3.54 0.04 -1.26 -3.71 135.00 139.59 1zgw s PRO 68 Ca 0.07 2.38 -0.33 0.00 0.04 0.00 0.00 61.00 63.16 1zgw s PRO 68 Cb -0.16 -3.08 -0.11 0.00 0.04 0.00 0.00 34.50 31.19 1zgw s PRO 68 CO 0.11 -0.46 1.87 0.00 0.04 0.00 0.00 177.00 178.56 1zgw n LYS 70 N 6.44 0.22 0.00 0.00 3.00 -1.26 -0.37 118.16 126.19 1zgw n LYS 70 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.52 1zgw n LYS 70 Cb 0.32 -1.01 0.00 0.00 0.00 0.00 0.00 35.03 34.34 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 -0.44 3.20 -0.05 1.64 0.63 -1.26 -4.53 116.66 115.86 1zgw n ARG 71 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 1zgw n ARG 71 Cb 0.00 -0.92 -0.15 0.00 0.45 0.00 0.00 32.46 31.85 1zgw n ARG 71 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1zgw h GLN 73 N 0.00 0.48 0.00 0.00 5.75 -1.00 -3.33 115.11 117.01 1zgw h GLN 73 Ca -0.38 -0.81 -0.15 0.00 -0.15 0.00 0.00 58.65 57.17 1zgw h GLN 73 Cb 2.08 0.30 -0.02 0.00 1.07 0.00 0.00 27.48 30.91 1zgw h GLN 73 CO 0.06 1.39 -0.72 -1.00 -2.65 0.00 0.00 178.83 175.90 1zgw h PRO 74 N -0.01 0.00 -7.70 -2.39 0.13 -1.77 -3.45 132.00 116.81 1zgw h PRO 74 Ca -0.22 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.46 1zgw h PRO 74 Cb 2.01 0.00 0.15 0.00 0.13 0.00 0.00 31.00 33.29 1zgw h PRO 74 CO 0.24 0.72 0.36 0.16 -0.23 0.00 0.00 178.00 179.26 1zgw s ASP 75 N -6.68 3.31 -0.12 1.44 -4.77 -1.24 -5.06 116.67 103.56 1zgw s ASP 75 Ca 0.01 0.13 -0.07 0.00 -3.30 0.00 0.00 52.55 49.31 1zgw s ASP 75 Cb 0.11 -0.22 -0.04 0.00 -1.09 0.00 0.00 42.92 41.68 1zgw s ASP 75 CO 0.77 -2.59 0.12 -0.54 0.70 0.00 0.00 175.17 173.63 1zgw s LYS 76 N -5.76 3.47 0.00 2.11 1.02 -1.26 -4.94 119.74 114.38 1zgw s LYS 76 Ca 0.73 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 56.55 1zgw s LYS 76 Cb -0.04 -3.17 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 1zgw s LYS 76 CO 0.51 0.72 0.00 0.00 -0.92 0.00 0.00 175.35 175.67 1zgw n ALA 77 N 2.15 0.00 0.20 5.17 0.00 -1.26 -4.14 120.51 122.63 1zgw n ALA 77 Ca -0.19 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.30 1zgw n ALA 77 Cb 0.55 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.52 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 0.09 0.13 0.00 -0.26 1.15 0.74 115.58 117.43 1zgw h ASN 78 Ca 0.00 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 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 0.16 0.00 1.55 -1.06 0.00 0.00 177.43 178.08 1zgw h PRO 79 N 0.10 0.00 0.34 0.81 0.13 -1.87 -2.72 132.00 128.79 1zgw h PRO 79 Ca 0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1zgw h PRO 79 Cb 0.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.27 1zgw h PRO 79 CO 0.01 0.00 -0.36 -0.09 -0.23 0.00 0.00 178.00 177.32 1zgw h ARG 80 N 0.00 -0.68 -1.00 0.86 2.43 0.35 -0.97 114.38 115.36 1zgw h ARG 80 Ca 0.00 0.05 0.26 0.00 -0.81 0.00 0.00 59.98 59.47 1zgw h ARG 80 Cb 0.07 0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 29.70 1zgw h ARG 80 CO 0.00 -0.46 0.67 1.96 -1.51 0.00 0.00 179.97 180.64 1zgw h GLN 81 N -0.71 0.28 -0.35 0.20 1.08 -1.60 0.20 115.11 114.22 1zgw h GLN 81 Ca -0.04 -0.02 -0.11 0.00 -1.45 0.00 0.00 58.65 57.03 1zgw h GLN 81 Cb 0.62 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 1zgw h GLN 81 CO -0.06 0.19 -0.22 1.25 -0.95 0.00 0.00 178.83 179.04 1zgw h HIS 82 N 0.29 0.89 0.00 2.96 2.76 -1.39 -0.65 115.15 120.01 1zgw h HIS 82 Ca 0.53 -0.24 -0.03 0.00 -2.20 0.00 0.00 60.37 58.44 1zgw h HIS 82 Cb 1.54 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 30.30 1zgw h HIS 82 CO -0.00 0.98 -0.14 -0.09 -1.30 0.00 0.00 177.93 177.39 1zgw h ARG 83 N 0.55 0.00 0.03 5.26 1.12 0.29 -1.48 114.38 120.14 1zgw h ARG 83 Ca 0.07 0.00 -0.21 0.00 -1.11 0.00 0.00 59.98 58.73 1zgw h ARG 83 Cb 0.78 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.72 1zgw h ARG 83 CO 0.06 0.14 -0.97 1.25 -3.11 0.00 0.00 179.97 177.34 1zgw h LEU 84 N 0.00 0.22 -1.12 3.80 5.85 -0.66 -2.75 115.31 120.65 1zgw h LEU 84 Ca -0.00 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1zgw h LEU 84 Cb 0.50 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1zgw h LEU 84 CO 0.02 1.06 0.32 0.44 -0.34 0.00 0.00 178.44 179.94 1zgw h ASP 85 N 0.07 0.84 -0.23 1.25 5.19 -0.10 -2.03 116.42 121.41 1zgw h ASP 85 Ca -0.05 -0.08 0.03 0.00 -0.62 0.00 0.00 57.03 56.31 1zgw h ASP 85 Cb 1.64 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 40.91 1zgw h ASP 85 CO 0.14 0.71 0.03 0.50 -3.12 0.00 0.00 179.24 177.51 1zgw h LYS 86 N 0.93 0.11 -0.94 3.56 3.64 -1.14 -2.34 116.57 120.40 1zgw h LYS 86 Ca 0.23 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1zgw h LYS 86 Cb 0.09 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 1zgw h LYS 86 CO -0.03 0.07 0.57 0.82 -2.27 0.00 0.00 179.45 178.61 1zgw h ILE 87 N 0.11 1.26 -0.95 2.00 2.04 -1.16 -0.93 117.51 119.88 1zgw h ILE 87 Ca 0.10 -0.55 0.13 0.00 1.00 0.00 0.00 64.86 65.54 1zgw h ILE 87 Cb 0.11 -0.08 -0.09 0.00 -0.74 0.00 0.00 36.82 36.03 1zgw h ILE 87 CO -0.15 0.27 0.57 0.74 0.00 0.00 0.00 178.15 179.58 1zgw h THR 88 N 1.30 0.86 -0.95 -0.27 2.02 -0.92 1.11 112.91 116.05 1zgw h THR 88 Ca 0.34 -0.30 0.06 0.00 0.77 0.00 0.00 66.41 67.28 1zgw h THR 88 Cb -0.06 -0.09 -0.06 0.00 -1.74 0.00 0.00 68.15 66.20 1zgw h THR 88 CO -0.06 0.16 0.62 -0.74 0.37 0.00 0.00 175.52 175.87 1zgw h HIS 89 N 0.87 1.13 -0.64 3.16 6.17 -0.69 0.70 115.15 125.86 1zgw h HIS 89 Ca 0.48 0.03 0.14 0.00 0.71 0.00 0.00 60.37 61.73 1zgw h HIS 89 Cb 0.54 -0.37 -0.04 0.00 2.52 0.00 0.00 27.41 30.06 1zgw h HIS 89 CO -0.03 0.61 0.44 0.00 0.71 0.00 0.00 177.93 179.65 1zgw h ALA 90 N 1.47 2.22 0.48 5.26 0.00 0.18 -0.12 119.26 128.75 1zgw h ALA 90 Ca 0.40 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1zgw h ALA 90 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1zgw h ALA 90 CO -0.15 -0.38 -0.23 0.00 0.00 0.00 0.00 179.25 178.49 1zgw h ARG 92 N -0.73 -0.22 -0.85 0.00 2.43 -0.63 -0.45 114.38 113.93 1zgw h ARG 92 Ca -0.07 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.21 1zgw h ARG 92 Cb 0.53 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.07 1zgw h ARG 92 CO 0.11 -0.15 0.55 -0.07 -1.51 0.00 0.00 179.97 178.90 1zgw h LEU 93 N -0.23 0.74 -0.08 3.80 -0.00 -1.18 1.18 115.31 119.54 1zgw h LEU 93 Ca 0.16 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.06 1zgw h LEU 93 Cb 0.48 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.00 1zgw h LEU 93 CO -0.45 0.44 0.00 0.18 -0.00 0.00 0.00 178.44 178.61 1zgw n LEU 94 N -4.52 0.07 0.00 1.67 4.77 -0.21 -2.91 117.00 115.88 1zgw n LEU 94 Ca 0.14 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1zgw n LEU 94 Cb 0.31 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1zgw n LEU 94 CO 0.32 -0.30 0.02 1.21 -1.33 0.00 0.00 177.39 177.31 1zgw n GLU 95 N -1.58 2.90 -0.09 3.23 0.00 -0.25 -4.49 120.64 120.35 1zgw n GLU 95 Ca 0.03 -0.04 -0.22 0.00 0.00 0.00 0.00 57.16 56.93 1zgw n GLU 95 Cb 0.17 -0.33 -0.12 0.00 0.00 0.00 0.00 31.44 31.16 1zgw n GLU 95 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1zgw n GLN 96 N -0.43 0.59 0.00 5.31 7.27 0.39 -4.95 117.38 125.56 1zgw n GLN 96 Ca 0.00 0.53 0.00 0.00 0.07 0.00 0.00 57.00 57.60 1zgw n GLN 96 Cb 0.02 -1.74 0.00 0.00 2.41 0.00 0.00 30.24 30.93 1zgw n GLN 96 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 1zgw n GLU 97 N -4.31 2.42 -0.03 3.69 0.28 -1.14 -5.05 120.64 116.49 1zgw n GLU 97 Ca -0.33 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.63 1zgw n GLU 97 Cb 0.73 0.00 -0.01 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 0.92 -2.03 3.84 -1.04 -1.26 -4.96 114.28 109.75 1zgw n THR 98 Ca 0.00 0.27 -0.40 0.00 -2.04 0.00 0.00 64.05 61.88 1zgw n THR 98 Cb 0.00 -1.87 -0.01 0.00 -1.82 0.00 0.00 70.33 66.63 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 -2.07 4.09 0.55 -2.82 0.04 -1.26 -4.98 135.00 128.54 1zgw s PRO 99 Ca -0.14 2.24 -0.16 0.00 0.04 0.00 0.00 61.00 62.98 1zgw s PRO 99 Cb 0.02 -2.87 -0.06 0.00 0.04 0.00 0.00 34.50 31.62 1zgw s PRO 99 CO 0.20 -0.42 1.02 0.08 0.04 0.00 0.00 177.00 177.92 1zgw s VAL 100 N -1.20 4.22 -0.38 -0.36 1.01 -1.26 -4.92 120.40 117.50 1zgw s VAL 100 Ca 0.54 1.07 0.01 0.00 0.00 0.00 0.00 61.98 63.60 1zgw s VAL 100 Cb -0.40 -3.57 0.11 0.00 0.00 0.00 0.00 36.38 32.51 1zgw s VAL 100 CO 0.52 -0.60 0.13 0.42 0.00 0.00 0.00 175.10 175.57 1zgw s THR 101 N -2.54 2.73 0.00 3.92 -4.23 -1.26 -4.73 115.64 109.53 1zgw s THR 101 Ca 0.61 -2.29 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1zgw s THR 101 Cb -0.13 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.78 1zgw s THR 101 CO 0.33 -0.65 0.00 -0.11 -0.54 0.00 0.00 174.62 173.65 1zgw n LEU 102 N 4.31 0.80 -0.32 4.79 -0.00 -1.26 -4.84 117.00 120.48 1zgw n LEU 102 Ca 0.02 0.00 0.17 0.00 -0.00 0.00 0.00 56.01 56.19 1zgw n LEU 102 Cb 0.41 0.00 0.32 0.00 -0.00 0.00 0.00 43.42 44.15 1zgw n LEU 102 CO 0.27 0.13 0.79 1.21 -0.00 0.00 0.00 177.39 179.79 1zgw n GLU 103 N -1.63 -0.07 -0.07 1.96 4.07 -1.26 0.40 120.64 124.03 1zgw n GLU 103 Ca 0.00 1.39 -0.12 0.00 -0.06 0.00 0.00 57.16 58.37 1zgw n GLU 103 Cb 0.20 -2.26 0.00 0.00 -0.06 0.00 0.00 31.44 29.33 1zgw n GLU 103 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1zgw h ALA 104 N 1.88 0.60 -0.12 4.31 0.00 -1.97 -0.65 119.26 123.32 1zgw h ALA 104 Ca 0.61 -0.48 -0.23 0.00 0.00 0.00 0.00 54.91 54.81 1zgw h ALA 104 Cb 1.33 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1zgw h ALA 104 CO -0.86 0.68 -0.83 -0.07 0.00 0.00 0.00 179.25 178.16 1zgw h LEU 105 N 0.64 0.92 -0.75 0.00 3.38 -0.65 -1.93 115.31 116.92 1zgw h LEU 105 Ca 0.04 -0.63 -0.12 0.00 0.09 0.00 0.00 57.88 57.26 1zgw h LEU 105 Cb 1.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1zgw h LEU 105 CO 0.10 1.43 -0.31 0.00 0.09 0.00 0.00 178.44 179.75 1zgw h ALA 106 N 0.54 0.93 -0.43 1.53 0.00 -0.04 -2.12 119.26 119.66 1zgw h ALA 106 Ca -0.07 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 1zgw h ALA 106 Cb 1.47 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1zgw h ALA 106 CO 0.17 0.62 -0.26 -0.44 0.00 0.00 0.00 179.25 179.33 1zgw h ASP 107 N 0.51 0.95 0.53 0.00 5.19 -1.10 0.37 116.42 122.88 1zgw h ASP 107 Ca 0.06 -0.38 -0.03 0.00 -0.62 0.00 0.00 57.03 56.07 1zgw h ASP 107 Cb 0.79 -0.26 0.01 0.00 0.18 0.00 0.00 39.33 40.04 1zgw h ASP 107 CO 0.06 1.15 -0.26 -0.61 -3.12 0.00 0.00 179.24 176.47 1zgw h GLN 108 N 0.79 -0.69 0.00 3.56 4.15 -1.12 -2.92 115.11 118.88 1zgw h GLN 108 Ca 0.09 0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 1zgw h GLN 108 Cb 0.83 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 1zgw h GLN 108 CO 0.07 -0.40 -0.20 0.28 -1.93 0.00 0.00 178.83 176.65 1zgw h VAL 109 N -0.85 0.52 -0.16 2.39 2.07 -1.41 -3.47 116.25 115.33 1zgw h VAL 109 Ca -0.07 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1zgw h VAL 109 Cb 0.60 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1zgw h VAL 109 CO 0.12 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.90 1zgw n ALA 110 N -2.22 0.00 -3.64 1.67 0.00 0.12 -5.07 120.51 111.37 1zgw n ALA 110 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1zgw n ALA 110 Cb 0.39 -0.46 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.90 0.21 -1.40 0.00 0.00 -0.59 -5.01 117.12 109.43 1zgw n MET 111 Ca 0.00 -1.70 -0.30 0.00 0.00 0.00 0.00 57.70 55.70 1zgw n MET 111 Cb 0.46 1.40 0.12 0.00 0.00 0.00 0.00 33.22 35.20 1zgw n MET 111 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1zgw s SER 112 N -2.19 3.82 0.38 3.17 1.04 -1.26 -4.58 113.70 114.08 1zgw s SER 112 Ca 0.20 1.30 0.10 0.00 0.48 0.00 0.00 55.95 58.04 1zgw s SER 112 Cb 0.01 -1.99 0.76 0.00 0.10 0.00 0.00 66.02 64.90 1zgw s SER 112 CO 0.14 -2.39 1.88 1.55 0.98 0.00 0.00 173.24 175.41 1zgw h PRO 113 N -1.38 0.16 -0.42 4.02 0.13 -1.95 -2.05 132.00 130.51 1zgw h PRO 113 Ca -0.49 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 64.44 1zgw h PRO 113 Cb 1.29 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1zgw h PRO 113 CO 0.58 0.38 -0.33 0.74 -0.23 0.00 0.00 178.00 179.13 1zgw h PHE 114 N 0.15 1.14 0.00 1.56 -1.00 -2.00 -2.31 116.94 114.48 1zgw h PHE 114 Ca 0.03 -0.32 -0.09 0.00 2.81 0.00 0.00 57.97 60.40 1zgw h PHE 114 Cb 0.47 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 1zgw h PHE 114 CO 0.00 1.15 -0.41 1.25 -1.61 0.00 0.00 178.31 178.70 1zgw h HIS 115 N 0.79 0.00 -0.69 -0.55 2.76 -1.84 -1.64 115.15 113.97 1zgw h HIS 115 Ca 0.08 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 1zgw h HIS 115 Cb 0.93 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.85 1zgw h HIS 115 CO 0.06 0.41 0.37 1.25 -1.30 0.00 0.00 177.93 178.72 1zgw h LEU 116 N 0.00 0.88 -0.71 0.26 7.12 -1.04 0.17 115.31 121.99 1zgw h LEU 116 Ca -0.00 -0.11 -0.03 0.00 0.13 0.00 0.00 57.88 57.87 1zgw h LEU 116 Cb 0.85 -0.22 -0.03 0.00 -0.53 0.00 0.00 40.66 40.72 1zgw h LEU 116 CO 0.05 0.73 0.33 0.45 -0.13 0.00 0.00 178.44 179.87 1zgw h HIS 117 N 0.96 1.04 -0.55 1.25 3.86 -1.00 -0.43 115.15 120.28 1zgw h HIS 117 Ca 0.24 -0.06 0.02 0.00 -1.16 0.00 0.00 60.37 59.41 1zgw h HIS 117 Cb 0.06 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 28.18 1zgw h HIS 117 CO -0.00 0.78 0.36 0.00 0.86 0.00 0.00 177.93 179.93 1zgw h ARG 118 N 1.00 0.67 -0.13 2.45 2.47 -0.25 -2.02 114.38 118.58 1zgw h ARG 118 Ca 0.24 -0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 58.87 1zgw h ARG 118 Cb 0.14 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.31 1zgw h ARG 118 CO -0.03 0.44 -0.13 1.25 0.56 0.00 0.00 179.97 182.07 1zgw h LEU 119 N 0.69 0.33 -0.99 3.04 7.12 0.35 -1.14 115.31 124.71 1zgw h LEU 119 Ca 0.21 -0.49 0.21 0.00 0.13 0.00 0.00 57.88 57.95 1zgw h LEU 119 Cb -0.00 -0.09 -0.12 0.00 -0.53 0.00 0.00 40.66 39.92 1zgw h LEU 119 CO -0.05 0.75 0.59 0.15 -0.13 0.00 0.00 178.44 179.75 1zgw h PHE 120 N -0.08 1.02 -0.17 1.25 3.04 -0.45 0.13 116.94 121.69 1zgw h PHE 120 Ca 0.02 0.04 -0.15 0.00 3.98 0.00 0.00 57.97 61.85 1zgw h PHE 120 Cb 0.66 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.87 1zgw h PHE 120 CO 0.09 0.15 -0.49 -0.22 -2.02 0.00 0.00 178.31 175.81 1zgw h LYS 121 N 0.67 0.63 0.35 1.11 3.64 -1.22 0.11 116.57 121.86 1zgw h LYS 121 Ca 0.60 -0.45 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1zgw h LYS 121 Cb 1.04 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 1zgw h LYS 121 CO -0.43 1.07 -0.36 0.00 -2.27 0.00 0.00 179.45 177.46 1zgw h ALA 122 N 0.56 -0.78 0.52 5.00 0.00 0.45 1.47 119.26 126.48 1zgw h ALA 122 Ca -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1zgw h ALA 122 Cb 1.11 0.53 0.01 0.00 0.00 0.00 0.00 17.79 19.43 1zgw h ALA 122 CO 0.11 -0.98 -0.25 1.15 0.00 0.00 0.00 179.25 179.28 1zgw h THR 123 N -0.75 0.00 -0.93 0.00 2.02 -0.95 -3.06 112.91 109.25 1zgw h THR 123 Ca -0.02 -0.43 0.24 0.00 0.77 0.00 0.00 66.41 66.96 1zgw h THR 123 Cb 0.67 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.03 1zgw h THR 123 CO -0.07 0.00 0.64 0.00 0.37 0.00 0.00 175.52 176.46 1zgw h THR 124 N -1.13 0.59 0.00 3.16 1.03 -1.01 -3.46 112.91 112.09 1zgw h THR 124 Ca -0.07 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 66.25 1zgw h THR 124 Cb 0.53 0.35 0.00 0.00 -1.07 0.00 0.00 68.15 67.97 1zgw h THR 124 CO 0.12 0.04 0.00 0.61 -0.01 0.00 0.00 175.52 176.28 1zgw n GLY 125 N -1.60 2.36 2.70 2.99 0.00 0.50 -4.95 105.19 107.19 1zgw n GLY 125 Ca 0.20 -0.52 -0.07 0.00 0.00 0.00 0.00 46.02 45.63 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 1.19 -2.74 1.61 0.00 -1.02 -4.74 117.12 111.42 1zgw n MET 126 Ca 0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 57.70 55.92 1zgw n MET 126 Cb 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 33.22 33.23 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 0.19 -0.48 0.00 2.03 2.01 -1.26 -5.00 115.64 113.13 1zgw s THR 127 Ca 0.21 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.80 1zgw s THR 127 Cb 0.40 0.00 0.00 0.00 0.01 0.00 0.00 72.50 72.91 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 2.91 0.00 0.34 4.92 -0.04 -1.26 -3.12 135.00 138.75 1zgw n PRO 128 Ca 0.13 0.00 0.23 0.00 -0.04 0.00 0.00 63.50 63.81 1zgw n PRO 128 Cb 0.62 0.00 1.22 0.00 -0.04 0.00 0.00 33.50 35.29 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 -0.45 0.54 1.63 -1.87 -1.11 116.57 115.31 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 -0.26 0.00 -3.45 0.00 0.00 179.45 175.74 1zgw h ALA 130 N 2.00 0.63 -0.66 5.00 0.00 -1.93 -1.76 119.26 122.54 1zgw h ALA 130 Ca -0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 1zgw h ALA 130 Cb 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1zgw h ALA 130 CO 0.00 0.65 0.13 2.35 0.00 0.00 0.00 179.25 182.38 1zgw h TRP 131 N 0.80 1.12 -0.82 0.00 -0.00 -1.14 -0.41 115.95 115.50 1zgw h TRP 131 Ca 0.09 -0.14 0.06 0.00 -0.00 0.00 0.00 58.89 58.91 1zgw h TRP 131 Cb 0.84 -0.31 -0.05 0.00 -0.00 0.00 0.00 29.16 29.63 1zgw h TRP 131 CO 0.06 0.93 0.54 0.37 -0.00 0.00 0.00 178.44 180.33 1zgw h GLN 132 N 1.00 0.88 0.13 2.65 4.15 -1.29 0.70 115.11 123.34 1zgw h GLN 132 Ca 0.20 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 1zgw h GLN 132 Cb 0.40 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.89 1zgw h GLN 132 CO 0.01 0.58 -0.06 0.37 -1.93 0.00 0.00 178.83 177.79 1zgw h GLN 133 N 0.90 -0.17 -0.80 1.69 4.15 -0.41 -2.12 115.11 118.35 1zgw h GLN 133 Ca 0.35 0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.92 1zgw h GLN 133 Cb 0.22 0.04 -0.09 0.00 0.21 0.00 0.00 27.48 27.86 1zgw h GLN 133 CO -0.13 0.24 0.39 0.00 -1.93 0.00 0.00 178.83 177.40 1zgw h ALA 134 N 0.10 1.16 -0.07 3.38 0.00 -0.61 0.14 119.26 123.36 1zgw h ALA 134 Ca -0.02 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1zgw h ALA 134 Cb 0.49 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1zgw h ALA 134 CO 0.03 -0.10 -0.29 -1.49 0.00 0.00 0.00 179.25 177.40 1zgw h TRP 135 N 0.58 -0.80 0.00 0.00 -0.00 -0.81 0.31 115.95 115.23 1zgw h TRP 135 Ca 0.43 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 59.35 1zgw h TRP 135 Cb 0.58 0.36 0.00 0.00 -0.00 0.00 0.00 29.16 30.10 1zgw h TRP 135 CO -0.11 -0.38 0.00 -2.13 -0.00 0.00 0.00 178.44 175.82 1zgw n ARG 136 N -5.40 0.05 -0.10 0.49 0.63 0.09 -0.02 116.66 112.41 1zgw n ARG 136 Ca -0.04 0.43 -0.20 0.00 -0.92 0.00 0.00 57.85 57.12 1zgw n ARG 136 Cb 0.31 -1.63 -0.12 0.00 0.45 0.00 0.00 32.46 31.47 1zgw n ARG 136 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1zgw h ALA 137 N 2.21 0.21 0.00 5.13 0.00 0.20 -3.44 119.26 123.57 1zgw h ALA 137 Ca 0.00 -1.06 -0.43 0.00 0.00 0.00 0.00 54.91 53.42 1zgw h ALA 137 Cb 0.14 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 1zgw h ALA 137 CO 0.00 0.57 -2.45 -2.13 0.00 0.00 0.00 179.25 175.23 1zgw n ARG 138 N -4.47 0.56 0.00 0.00 0.63 -0.28 -5.10 116.66 108.00 1zgw n ARG 138 Ca -0.27 0.23 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 1zgw n ARG 138 Cb 0.63 -1.44 0.00 0.00 0.45 0.00 0.00 32.46 32.10 1zgw n ARG 138 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99