#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 -4.79 0.00 0.03 4.81 -1.26 -5.07 118.16 111.89 1zgw n LYS 2 Ca 0.00 3.48 0.00 0.00 -0.87 0.00 0.00 58.31 60.92 1zgw n LYS 2 Cb 0.00 -3.85 0.00 0.00 0.02 0.00 0.00 35.03 31.20 1zgw n LYS 2 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1zgw n LYS 3 N 0.14 0.00 0.00 1.64 4.01 -1.26 -5.14 118.16 117.55 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 0.18 7.82 0.00 -1.26 -4.83 120.51 119.42 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 -2.37 0.00 0.00 0.00 177.50 175.13 1zgw n THR 5 N 0.00 0.05 -4.01 0.00 5.66 -1.26 -4.87 114.28 109.85 1zgw n THR 5 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1zgw n THR 5 Cb 0.00 -0.23 0.00 0.00 -1.55 0.00 0.00 70.33 68.55 1zgw n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1zgw n LEU 7 N 0.00 0.00 -3.46 0.00 4.77 -1.26 -4.82 117.00 112.23 1zgw n LEU 7 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 1zgw n LEU 7 Cb 0.00 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 1zgw n LEU 7 CO 0.00 0.00 3.14 0.41 -1.33 0.00 0.00 177.39 179.61 1zgw n THR 8 N -1.71 3.98 -0.44 -5.08 -1.04 -1.26 -4.66 114.28 104.07 1zgw n THR 8 Ca 0.00 -2.71 0.40 0.00 -2.04 0.00 0.00 64.05 59.70 1zgw n THR 8 Cb 0.00 -2.61 0.77 0.00 -1.82 0.00 0.00 70.33 66.67 1zgw n THR 8 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 1zgw h ASP 9 N 5.39 0.01 -0.64 8.00 2.03 -1.98 1.83 116.42 131.07 1zgw h ASP 9 Ca 0.76 0.00 0.08 0.00 -0.73 0.00 0.00 57.03 57.15 1zgw h ASP 9 Cb 0.41 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.85 1zgw h ASP 9 CO 1.82 -0.00 0.30 0.44 -1.03 0.00 0.00 179.24 180.77 1zgw h ASP 10 N 0.01 0.39 1.34 4.15 3.32 -2.00 0.30 116.42 123.92 1zgw h ASP 10 Ca 0.68 0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.65 1zgw h ASP 10 Cb 2.69 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 42.21 1zgw h ASP 10 CO -0.02 0.24 -0.67 -0.61 -1.72 0.00 0.00 179.24 176.45 1zgw h GLN 11 N 0.54 0.00 -0.85 3.56 5.75 0.24 -2.26 115.11 122.09 1zgw h GLN 11 Ca 0.31 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.91 1zgw h GLN 11 Cb 0.30 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.78 1zgw h GLN 11 CO -0.25 0.58 0.48 0.00 -2.65 0.00 0.00 178.83 177.00 1zgw h ARG 12 N 0.00 0.76 -0.75 1.69 -0.00 0.11 1.45 114.38 117.64 1zgw h ARG 12 Ca -0.02 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.98 59.38 1zgw h ARG 12 Cb 1.48 -0.17 -0.03 0.00 0.00 0.00 0.00 29.97 31.24 1zgw h ARG 12 CO 0.08 0.51 0.32 2.35 0.00 0.00 0.00 179.97 183.22 1zgw h TRP 13 N 0.79 1.13 -0.12 3.04 -0.00 -0.32 0.40 115.95 120.87 1zgw h TRP 13 Ca 0.42 -0.08 -0.02 0.00 -0.00 0.00 0.00 58.89 59.22 1zgw h TRP 13 Cb 0.42 -0.34 -0.01 0.00 -0.00 0.00 0.00 29.16 29.23 1zgw h TRP 13 CO -0.06 0.85 0.00 0.37 -0.00 0.00 0.00 178.44 179.60 1zgw h GLN 14 N 1.08 0.16 -0.06 2.65 5.75 0.13 0.39 115.11 125.21 1zgw h GLN 14 Ca 0.25 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.61 1zgw h GLN 14 Cb 0.18 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 1zgw h GLN 14 CO -0.02 0.18 -0.53 1.03 -2.65 0.00 0.00 178.83 176.84 1zgw h SER 15 N 0.16 0.17 0.24 -0.69 0.87 0.42 0.90 113.55 115.63 1zgw h SER 15 Ca 0.04 -0.09 -0.18 0.00 -1.23 0.00 0.00 61.79 60.33 1zgw h SER 15 Cb 0.11 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1zgw h SER 15 CO 0.00 0.67 -0.73 0.58 -0.53 0.00 0.00 176.83 176.82 1zgw h VAL 16 N 0.12 1.38 0.03 2.23 2.07 0.36 0.65 116.25 123.08 1zgw h VAL 16 Ca 0.00 -2.13 -0.31 0.00 0.82 0.00 0.00 66.70 65.08 1zgw h VAL 16 Cb 0.97 2.11 -0.04 0.00 -1.52 0.00 0.00 31.29 32.81 1zgw h VAL 16 CO 0.08 0.64 -1.77 0.18 0.02 0.00 0.00 177.57 176.72 1zgw n LEU 17 N -3.84 1.23 0.06 2.57 4.77 0.46 -3.87 117.00 118.38 1zgw n LEU 17 Ca -0.04 0.37 0.13 0.00 -0.03 0.00 0.00 56.01 56.44 1zgw n LEU 17 Cb 0.71 -0.09 0.48 0.00 -2.33 0.00 0.00 43.42 42.19 1zgw n LEU 17 CO 0.48 0.48 0.90 0.00 -1.33 0.00 0.00 177.39 177.93 1zgw n ALA 18 N -2.65 2.32 -3.09 -1.18 0.00 0.31 -4.92 120.51 111.30 1zgw n ALA 18 Ca -0.20 -0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.05 1zgw n ALA 18 Cb 1.05 -1.46 0.05 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.97 -4.52 -2.11 0.00 1.74 0.03 -4.91 116.66 104.91 1zgw n ARG 19 Ca 0.06 0.48 -0.43 0.00 -0.77 0.00 0.00 57.85 57.19 1zgw n ARG 19 Cb 0.40 -4.46 -0.02 0.00 -1.02 0.00 0.00 32.46 27.35 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 -0.09 -4.74 116.67 117.32 1zgw s ASP 20 Ca 0.30 1.15 0.06 0.00 0.43 0.00 0.00 52.55 54.49 1zgw s ASP 20 Cb -0.13 -2.53 0.39 0.00 -0.30 0.00 0.00 42.92 40.35 1zgw s ASP 20 CO 0.42 -1.61 0.87 -0.81 -0.17 0.00 0.00 175.17 173.87 1zgw n PRO 21 N 8.31 0.54 -0.00 4.34 -0.04 -1.26 -1.84 135.00 145.05 1zgw n PRO 21 Ca 0.21 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.75 1zgw n PRO 21 Cb 0.47 -1.19 -0.10 0.00 -0.04 0.00 0.00 33.50 32.64 1zgw n PRO 21 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1zgw n ASN 22 N -0.69 0.83 -0.19 3.54 5.15 -1.26 -4.12 115.26 118.51 1zgw n ASN 22 Ca 0.05 -0.76 0.05 0.00 -0.60 0.00 0.00 54.58 53.32 1zgw n ASN 22 Cb 0.02 1.12 -0.01 0.00 -0.53 0.00 0.00 39.78 40.37 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 -1.49 3.01 -2.53 5.20 0.00 -0.76 -4.71 120.51 119.22 1zgw n ALA 23 Ca 0.02 -0.42 -0.43 0.00 0.00 0.00 0.00 53.44 52.62 1zgw n ALA 23 Cb 0.29 -0.39 -0.02 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.58 7.07 0.00 0.00 2.15 -1.10 -2.05 116.67 121.16 1zgw s ASP 24 Ca 0.08 1.66 0.00 0.00 0.43 0.00 0.00 52.55 54.72 1zgw s ASP 24 Cb 0.09 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1zgw s ASP 24 CO 0.32 -0.61 0.00 0.61 -0.17 0.00 0.00 175.17 175.31 1zgw n GLY 25 N 3.36 2.98 0.17 2.66 0.00 -1.26 0.61 105.19 113.72 1zgw n GLY 25 Ca 0.11 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 1zgw n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1zgw h GLU 26 N 0.00 0.60 -3.82 1.61 4.57 -1.70 -3.44 114.58 112.39 1zgw h GLU 26 Ca 0.00 -0.68 -0.09 0.00 -1.18 0.00 0.00 59.36 57.41 1zgw h GLU 26 Cb 0.00 0.20 -0.10 0.00 -0.16 0.00 0.00 28.75 28.69 1zgw h GLU 26 CO 0.00 1.28 -0.20 -0.59 -1.18 0.00 0.00 179.01 178.32 1zgw s PHE 27 N -3.19 0.52 0.39 0.92 -0.12 -0.87 -4.36 117.98 111.26 1zgw s PHE 27 Ca -0.11 -0.85 0.04 0.00 -0.05 0.00 0.00 56.93 55.95 1zgw s PHE 27 Cb 0.05 0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.47 1zgw s PHE 27 CO 0.89 -0.95 0.11 0.14 -0.05 0.00 0.00 175.22 175.37 1zgw s VAL 28 N -4.00 0.75 -0.05 -2.49 -7.23 -0.30 -4.33 120.40 102.75 1zgw s VAL 28 Ca 0.25 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.41 1zgw s VAL 28 Cb 0.01 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.52 1zgw s VAL 28 CO 0.10 0.00 0.03 0.72 -0.31 0.00 0.00 175.10 175.64 1zgw s PHE 29 N -3.24 0.34 -0.37 2.82 -0.12 -1.25 -1.57 117.98 114.60 1zgw s PHE 29 Ca 0.26 0.07 -0.15 0.00 -0.05 0.00 0.00 56.93 57.06 1zgw s PHE 29 Cb 0.04 -0.63 -0.00 0.00 -0.63 0.00 0.00 43.02 41.80 1zgw s PHE 29 CO 0.14 -0.25 0.35 0.00 -0.05 0.00 0.00 175.22 175.41 1zgw s ALA 30 N 2.08 3.48 -0.61 1.99 0.00 0.12 -3.92 121.76 124.91 1zgw s ALA 30 Ca 0.05 -1.36 -0.23 0.00 0.00 0.00 0.00 51.96 50.42 1zgw s ALA 30 Cb -0.12 -2.86 0.06 0.00 0.00 0.00 0.00 23.12 20.20 1zgw s ALA 30 CO -0.04 -1.21 0.93 0.08 0.00 0.00 0.00 175.76 175.51 1zgw s VAL 31 N 1.96 4.39 0.44 0.00 1.01 0.42 -1.33 120.40 127.29 1zgw s VAL 31 Ca 0.10 -0.14 0.40 0.00 0.00 0.00 0.00 61.98 62.35 1zgw s VAL 31 Cb -0.17 -4.60 0.43 0.00 0.00 0.00 0.00 36.38 32.04 1zgw s VAL 31 CO 0.12 -1.28 2.22 0.03 0.00 0.00 0.00 175.10 176.19 1zgw h ARG 32 N 9.43 0.00 -0.10 2.72 3.08 0.12 0.12 114.38 129.75 1zgw h ARG 32 Ca -0.28 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.69 1zgw h ARG 32 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 1zgw h ARG 32 CO 1.13 0.00 -0.30 0.00 -1.07 0.00 0.00 179.97 179.73 1zgw h THR 33 N 0.00 1.25 -0.02 2.04 1.03 -1.90 -3.11 112.91 112.20 1zgw h THR 33 Ca 0.00 -1.21 0.00 0.00 -0.01 0.00 0.00 66.41 65.19 1zgw h THR 33 Cb 0.20 1.52 0.00 0.00 -1.07 0.00 0.00 68.15 68.79 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 -4.13 0.55 -2.98 0.00 5.66 -0.71 -4.99 114.28 107.68 1zgw n THR 34 Ca -0.01 -0.77 -0.22 0.00 -3.05 0.00 0.00 64.05 59.99 1zgw n THR 34 Cb 0.39 0.74 0.03 0.00 -1.55 0.00 0.00 70.33 69.94 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 -0.17 -0.52 3.45 1.09 0.00 0.34 -4.87 105.19 104.51 1zgw n GLY 35 Ca 0.01 0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 1zgw n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zgw s ILE 36 N -3.16 1.74 0.04 -0.61 1.01 -0.89 -0.14 121.20 119.19 1zgw s ILE 36 Ca 0.28 -2.14 -0.11 0.00 0.00 0.00 0.00 60.65 58.68 1zgw s ILE 36 Cb -0.13 -2.48 0.01 0.00 0.01 0.00 0.00 42.46 39.88 1zgw s ILE 36 CO 0.35 -0.28 0.25 0.72 0.00 0.00 0.00 174.94 175.97 1zgw s PHE 37 N -2.95 -0.02 0.46 3.97 -0.12 -1.25 0.16 117.98 118.22 1zgw s PHE 37 Ca 0.30 -0.15 0.08 0.00 -0.05 0.00 0.00 56.93 57.11 1zgw s PHE 37 Cb 0.03 0.03 0.01 0.00 -0.63 0.00 0.00 43.02 42.46 1zgw s PHE 37 CO 0.13 -0.46 0.47 1.03 -0.05 0.00 0.00 175.22 176.33 1zgw s ARG 39 N -2.52 2.51 0.19 1.99 0.52 -1.26 -3.84 118.95 116.55 1zgw s ARG 39 Ca -0.05 -1.57 0.20 0.00 -0.52 0.00 0.00 55.73 53.79 1zgw s ARG 39 Cb -0.01 -2.44 0.88 0.00 0.52 0.00 0.00 34.95 33.90 1zgw s ARG 39 CO -0.03 -0.36 1.63 -0.35 0.02 0.00 0.00 175.30 176.20 1zgw n PRO 40 N -1.72 0.14 -0.83 3.54 -0.04 -1.26 -2.88 135.00 131.94 1zgw n PRO 40 Ca 0.05 0.40 -0.03 0.00 -0.04 0.00 0.00 63.50 63.88 1zgw n PRO 40 Cb 0.62 -1.78 0.19 0.00 -0.04 0.00 0.00 33.50 32.49 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 -2.04 2.45 -4.64 3.54 3.41 -1.26 -2.84 113.62 112.24 1zgw n SER 41 Ca 0.02 -3.83 -0.47 0.00 -0.26 0.00 0.00 58.87 54.33 1zgw n SER 41 Cb 0.19 -0.60 -0.04 0.00 -0.26 0.00 0.00 64.21 63.51 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 2.19 2.46 -0.10 0.00 1.85 -1.26 -4.59 116.66 117.21 1zgw n ARG 43 Ca 0.14 -2.26 -0.21 0.00 -1.00 0.00 0.00 57.85 54.52 1zgw n ARG 43 Cb 0.28 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 30.09 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 0.77 0.00 2.89 0.00 -1.26 -5.09 120.51 119.25 1zgw n ALA 44 Ca 0.19 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1zgw n ALA 44 Cb 0.59 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -3.25 -4.08 0.00 0.63 -1.26 -5.19 116.66 99.06 1zgw n ARG 45 Ca -0.31 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 33.47 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 0.52 0.28 -0.14 3.76 -1.26 -4.96 115.29 111.49 1zgw s HIS 46 Ca 0.00 -1.06 0.10 0.00 -0.15 0.00 0.00 55.06 53.95 1zgw s HIS 46 Cb 0.00 -0.38 -0.05 0.00 1.11 0.00 0.00 32.58 33.26 1zgw s HIS 46 CO 0.00 -0.39 -0.04 0.00 -0.85 0.00 0.00 174.74 173.46 1zgw s ALA 47 N -3.92 3.09 0.95 -1.40 0.00 -1.26 -5.11 121.76 114.10 1zgw s ALA 47 Ca 0.07 -1.73 -0.12 0.00 0.00 0.00 0.00 51.96 50.18 1zgw s ALA 47 Cb 0.08 -0.63 0.08 0.00 0.00 0.00 0.00 23.12 22.65 1zgw s ALA 47 CO -0.10 0.25 0.63 1.28 0.00 0.00 0.00 175.76 177.82 1zgw n LEU 48 N -0.85 0.78 0.14 0.00 4.77 -1.26 -4.87 117.00 115.71 1zgw n LEU 48 Ca -0.06 0.34 -0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1zgw n LEU 48 Cb 0.60 -1.28 0.24 0.00 -2.33 0.00 0.00 43.42 40.64 1zgw n LEU 48 CO 0.40 -3.17 0.59 -0.09 -1.33 0.00 0.00 177.39 173.79 1zgw h ARG 49 N -1.70 0.05 -0.78 3.23 2.43 -1.99 -3.22 114.38 112.39 1zgw h ARG 49 Ca -0.44 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 58.78 1zgw h ARG 49 Cb 1.28 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.74 1zgw h ARG 49 CO 0.37 0.55 -0.48 1.49 -1.51 0.00 0.00 179.97 180.38 1zgw h GLU 50 N 0.04 -0.02 -0.67 0.20 4.22 -2.00 0.85 114.58 117.19 1zgw h GLU 50 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1zgw h GLU 50 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1zgw h GLU 50 CO 0.07 -0.01 0.00 0.09 -2.18 0.00 0.00 179.01 176.97 1zgw n ASN 51 N -4.84 3.00 -4.34 1.04 3.02 -1.24 -4.83 115.26 107.08 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 0.22 -0.50 -0.14 0.00 -0.61 0.00 0.00 39.78 38.75 1zgw n ASN 51 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1zgw s VAL 52 N -1.78 3.15 0.42 2.41 1.01 0.29 0.15 120.40 126.05 1zgw s VAL 52 Ca 0.27 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1zgw s VAL 52 Cb 0.19 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1zgw s VAL 52 CO 0.10 0.49 0.06 -0.94 0.00 0.00 0.00 175.10 174.82 1zgw s SER 53 N 0.78 3.22 0.12 3.32 1.04 -0.44 -4.84 113.70 116.89 1zgw s SER 53 Ca -0.04 -1.56 0.10 0.00 0.48 0.00 0.00 55.95 54.92 1zgw s SER 53 Cb -0.15 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 1zgw s SER 53 CO 0.01 -0.77 -0.20 -0.36 0.98 0.00 0.00 173.24 172.90 1zgw s PHE 54 N -3.07 2.48 0.13 5.02 0.08 -1.26 0.16 117.98 121.52 1zgw s PHE 54 Ca 0.23 -0.29 0.06 0.00 0.12 0.00 0.00 56.93 57.05 1zgw s PHE 54 Cb 0.05 -1.31 -0.04 0.00 -0.57 0.00 0.00 43.02 41.14 1zgw s PHE 54 CO 0.12 0.38 -0.14 0.71 -0.10 0.00 0.00 175.22 176.19 1zgw s TYR 55 N -1.15 1.43 0.15 0.36 2.02 -0.61 -4.89 117.35 114.66 1zgw s TYR 55 Ca 0.17 -0.55 -0.10 0.00 -0.37 0.00 0.00 57.07 56.22 1zgw s TYR 55 Cb -0.10 -0.74 -0.01 0.00 -0.40 0.00 0.00 41.96 40.70 1zgw s TYR 55 CO 0.09 0.16 1.51 0.00 -1.57 0.00 0.00 175.55 175.74 1zgw h ALA 56 N 3.48 0.63 -2.44 3.71 0.00 -1.90 -0.79 119.26 121.95 1zgw h ALA 56 Ca -0.40 -0.43 -0.19 0.00 0.00 0.00 0.00 54.91 53.89 1zgw h ALA 56 Cb 1.20 -0.14 -0.15 0.00 0.00 0.00 0.00 17.79 18.70 1zgw h ALA 56 CO 0.51 0.68 -0.65 0.54 0.00 0.00 0.00 179.25 180.33 1zgw s ASN 57 N -6.79 0.33 0.55 0.00 2.20 -1.26 -3.50 114.94 106.46 1zgw s ASN 57 Ca -0.11 -1.23 0.31 0.00 -0.94 0.00 0.00 52.86 50.90 1zgw s ASN 57 Cb 0.12 0.30 1.55 0.00 -2.00 0.00 0.00 41.25 41.22 1zgw s ASN 57 CO 0.88 -0.73 2.08 0.00 -2.94 0.00 0.00 177.10 176.38 1zgw h ALA 58 N 2.83 1.15 -0.15 3.54 0.00 -1.90 -2.31 119.26 122.42 1zgw h ALA 58 Ca -0.35 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.31 1zgw h ALA 58 Cb 1.20 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1zgw h ALA 58 CO 0.59 0.10 -0.63 1.03 0.00 0.00 0.00 179.25 180.34 1zgw h SER 59 N 0.00 0.62 -0.11 0.00 0.87 -1.96 0.72 113.55 113.69 1zgw h SER 59 Ca -0.00 -0.36 -0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1zgw h SER 59 Cb 0.36 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1zgw h SER 59 CO 0.01 1.09 0.06 -0.08 -0.53 0.00 0.00 176.83 177.38 1zgw h GLU 60 N 0.40 0.16 -0.58 2.24 4.57 -1.84 1.08 114.58 120.61 1zgw h GLU 60 Ca -0.01 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1zgw h GLU 60 Cb 1.20 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.72 1zgw h GLU 60 CO 0.12 0.22 0.37 0.00 -1.18 0.00 0.00 179.01 178.53 1zgw h ALA 61 N 0.93 0.74 0.00 2.92 0.00 -1.29 0.29 119.26 122.86 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 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1zgw h ALA 61 CO -0.01 0.12 -0.02 -0.07 0.00 0.00 0.00 179.25 179.28 1zgw h LEU 62 N 0.74 0.00 0.00 0.00 3.38 0.13 0.21 115.31 119.77 1zgw h LEU 62 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1zgw h LEU 62 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1zgw h LEU 62 CO -0.07 0.02 -0.01 0.00 0.09 0.00 0.00 178.44 178.47 1zgw h ALA 63 N 1.98 0.99 0.00 1.53 0.00 0.47 -3.10 119.26 121.13 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 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 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 -1.89 2.52 -2.09 0.00 0.00 0.72 -4.83 120.51 114.94 1zgw n ALA 64 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1zgw n ALA 64 Cb 0.46 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1zgw n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1zgw n GLY 65 N 0.71 0.93 3.60 0.00 0.00 -1.17 -5.07 105.19 104.18 1zgw n GLY 65 Ca 0.20 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 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 2.59 -0.31 1.61 0.08 -1.23 -4.98 117.98 112.98 1zgw s PHE 66 Ca 0.00 -0.25 -0.12 0.00 0.12 0.00 0.00 56.93 56.68 1zgw s PHE 66 Cb 0.00 -1.14 -0.03 0.00 -0.57 0.00 0.00 43.02 41.27 1zgw s PHE 66 CO 0.00 0.64 0.22 1.03 -0.10 0.00 0.00 175.22 177.01 1zgw s ARG 67 N -3.61 3.75 0.20 0.44 1.81 0.79 -4.67 118.95 117.67 1zgw s ARG 67 Ca 0.31 -0.46 -0.31 0.00 -1.72 0.00 0.00 55.73 53.55 1zgw s ARG 67 Cb -0.06 -3.73 -0.11 0.00 -0.45 0.00 0.00 34.95 30.60 1zgw s ARG 67 CO 0.19 -0.30 1.60 -1.25 -0.68 0.00 0.00 175.30 174.85 1zgw s PRO 68 N 1.75 4.18 -0.15 3.54 0.04 -1.26 -3.85 135.00 139.26 1zgw s PRO 68 Ca 0.07 2.45 -0.36 0.00 0.04 0.00 0.00 61.00 63.20 1zgw s PRO 68 Cb -0.17 -3.11 -0.13 0.00 0.04 0.00 0.00 34.50 31.14 1zgw s PRO 68 CO 0.11 -0.63 1.86 0.00 0.04 0.00 0.00 177.00 178.38 1zgw n LYS 70 N 6.43 0.00 -0.10 0.00 4.81 -1.26 0.18 118.16 128.22 1zgw n LYS 70 Ca 0.24 0.25 -0.20 0.00 -0.87 0.00 0.00 58.31 57.73 1zgw n LYS 70 Cb 0.25 -1.74 -0.12 0.00 0.02 0.00 0.00 35.03 33.44 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 -1.24 0.66 0.00 1.64 0.63 -1.26 -4.15 116.66 112.94 1zgw n ARG 71 Ca 0.00 0.20 0.13 0.00 -0.92 0.00 0.00 57.85 57.26 1zgw n ARG 71 Cb 0.24 -1.56 0.25 0.00 0.45 0.00 0.00 32.46 31.84 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 0.20 0.70 0.05 0.00 7.27 0.48 -4.40 117.38 121.69 1zgw n GLN 73 Ca 0.14 0.34 -0.09 0.00 0.07 0.00 0.00 57.00 57.46 1zgw n GLN 73 Cb 0.44 -1.71 -0.13 0.00 2.41 0.00 0.00 30.24 31.25 1zgw n GLN 73 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 1zgw h PRO 74 N -0.24 0.04 -7.56 3.69 0.13 -1.76 -3.47 132.00 122.83 1zgw h PRO 74 Ca -0.41 -0.07 -0.45 0.00 -0.87 0.00 0.00 66.00 64.19 1zgw h PRO 74 Cb 1.83 0.03 0.13 0.00 0.13 0.00 0.00 31.00 33.12 1zgw h PRO 74 CO -0.01 0.96 0.31 0.16 -0.23 0.00 0.00 178.00 179.19 1zgw s ASP 75 N -6.69 3.55 -0.05 1.44 1.47 -1.25 -5.09 116.67 110.06 1zgw s ASP 75 Ca -0.01 0.02 0.03 0.00 1.18 0.00 0.00 52.55 53.77 1zgw s ASP 75 Cb 0.09 -0.18 -0.03 0.00 -0.34 0.00 0.00 42.92 42.47 1zgw s ASP 75 CO 0.83 -2.43 -0.11 -0.54 0.68 0.00 0.00 175.17 173.61 1zgw s LYS 76 N -5.62 2.59 0.00 2.11 1.02 -1.26 -4.95 119.74 113.64 1zgw s LYS 76 Ca 0.71 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 56.06 1zgw s LYS 76 Cb -0.04 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1zgw s LYS 76 CO 0.50 0.64 0.00 0.00 -0.92 0.00 0.00 175.35 175.57 1zgw n ALA 77 N 2.18 0.00 0.20 5.17 0.00 -1.26 -3.28 120.51 123.52 1zgw n ALA 77 Ca -0.17 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.34 1zgw n ALA 77 Cb 0.53 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.55 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 0.03 0.00 -0.26 1.74 1.32 115.58 118.50 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 0.09 0.00 1.55 -1.06 0.00 0.00 177.43 178.01 1zgw h PRO 79 N 0.11 0.00 0.45 0.81 0.13 -1.82 -2.67 132.00 129.01 1zgw h PRO 79 Ca 0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.14 1zgw h PRO 79 Cb 0.03 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.16 1zgw h PRO 79 CO -0.00 0.00 -0.28 -0.09 -0.23 0.00 0.00 178.00 177.40 1zgw h ARG 80 N 0.00 -0.66 -0.97 0.86 9.65 0.18 -1.14 114.38 122.29 1zgw h ARG 80 Ca 0.00 0.04 0.24 0.00 -1.10 0.00 0.00 59.98 59.17 1zgw h ARG 80 Cb 0.01 0.15 -0.07 0.00 -1.39 0.00 0.00 29.97 28.67 1zgw h ARG 80 CO 0.00 -0.44 0.65 1.96 2.80 0.00 0.00 179.97 184.94 1zgw h GLN 81 N -0.68 0.30 -0.40 0.20 1.08 -1.58 0.85 115.11 114.88 1zgw h GLN 81 Ca -0.06 -0.02 -0.14 0.00 -1.45 0.00 0.00 58.65 56.98 1zgw h GLN 81 Cb 0.55 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 1zgw h GLN 81 CO 0.06 0.20 -0.30 0.45 -0.95 0.00 0.00 178.83 178.29 1zgw h HIS 82 N 0.31 1.02 0.00 2.96 3.86 -1.46 -0.34 115.15 121.50 1zgw h HIS 82 Ca 0.51 -0.27 -0.06 0.00 -1.16 0.00 0.00 60.37 59.40 1zgw h HIS 82 Cb 1.46 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.69 1zgw h HIS 82 CO -0.00 1.06 -0.28 -0.09 0.86 0.00 0.00 177.93 179.48 1zgw h ARG 83 N 0.74 0.00 0.00 2.45 2.43 0.39 -1.60 114.38 118.79 1zgw h ARG 83 Ca 0.08 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.07 1zgw h ARG 83 Cb 0.86 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 1zgw h ARG 83 CO 0.08 0.28 -0.84 -0.07 -1.51 0.00 0.00 179.97 177.90 1zgw h LEU 84 N 0.00 0.00 -1.20 3.80 -0.00 -0.61 -2.36 115.31 114.94 1zgw h LEU 84 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1zgw h LEU 84 Cb 0.67 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.29 1zgw h LEU 84 CO 0.04 0.84 0.42 0.44 -0.00 0.00 0.00 178.44 180.18 1zgw h ASP 85 N 0.00 0.86 -0.28 -0.43 5.19 -0.13 -1.66 116.42 119.97 1zgw h ASP 85 Ca -0.01 -0.05 0.05 0.00 -0.62 0.00 0.00 57.03 56.40 1zgw h ASP 85 Cb 1.52 -0.22 -0.04 0.00 0.18 0.00 0.00 39.33 40.77 1zgw h ASP 85 CO 0.11 0.67 0.01 0.50 -3.12 0.00 0.00 179.24 177.40 1zgw h LYS 86 N 0.99 0.09 -0.97 3.56 3.64 -0.88 -1.79 116.57 121.20 1zgw h LYS 86 Ca 0.26 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.71 1zgw h LYS 86 Cb -0.03 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.70 1zgw h LYS 86 CO -0.05 0.06 0.62 0.82 -2.27 0.00 0.00 179.45 178.63 1zgw h ILE 87 N 0.09 1.05 -0.89 2.00 2.04 -1.08 0.88 117.51 121.60 1zgw h ILE 87 Ca 0.13 -0.38 0.15 0.00 1.00 0.00 0.00 64.86 65.76 1zgw h ILE 87 Cb 0.17 -0.15 -0.09 0.00 -0.74 0.00 0.00 36.82 36.01 1zgw h ILE 87 CO -0.22 0.20 0.49 0.74 0.00 0.00 0.00 178.15 179.37 1zgw h THR 88 N 1.10 0.76 -0.93 -0.27 2.02 -0.92 1.41 112.91 116.08 1zgw h THR 88 Ca 0.43 -0.24 0.06 0.00 0.77 0.00 0.00 66.41 67.43 1zgw h THR 88 Cb 0.23 -0.01 -0.06 0.00 -1.74 0.00 0.00 68.15 66.57 1zgw h THR 88 CO -0.19 0.13 0.60 -0.74 0.37 0.00 0.00 175.52 175.69 1zgw h HIS 89 N 0.70 1.09 -0.60 3.16 -0.00 -0.50 0.80 115.15 119.79 1zgw h HIS 89 Ca 0.48 0.03 0.15 0.00 -0.00 0.00 0.00 60.37 61.03 1zgw h HIS 89 Cb 0.66 -0.36 -0.03 0.00 -0.00 0.00 0.00 27.41 27.68 1zgw h HIS 89 CO -0.06 0.58 0.42 0.00 -0.00 0.00 0.00 177.93 178.86 1zgw h ALA 90 N 1.49 2.34 0.69 5.26 0.00 0.24 0.03 119.26 129.31 1zgw h ALA 90 Ca 0.40 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 1zgw h ALA 90 Cb 0.17 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1zgw h ALA 90 CO -0.15 -0.50 -0.33 0.00 0.00 0.00 0.00 179.25 178.27 1zgw h ARG 92 N -1.01 -0.31 -0.85 0.00 2.43 -0.65 -1.40 114.38 112.58 1zgw h ARG 92 Ca -0.09 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.19 1zgw h ARG 92 Cb 0.73 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.29 1zgw h ARG 92 CO 0.16 -0.21 0.55 1.25 -1.51 0.00 0.00 179.97 180.21 1zgw h LEU 93 N -0.33 0.75 -0.09 3.80 7.12 -1.21 1.17 115.31 126.53 1zgw h LEU 93 Ca 0.13 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.16 1zgw h LEU 93 Cb 0.54 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.53 1zgw h LEU 93 CO -0.44 0.45 0.00 0.18 -0.13 0.00 0.00 178.44 178.50 1zgw n LEU 94 N -4.51 0.08 0.00 2.25 4.32 -0.38 -2.51 117.00 116.25 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 0.30 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.59 1zgw n LEU 94 CO 0.32 -0.31 0.06 1.21 -1.22 0.00 0.00 177.39 177.45 1zgw n GLU 95 N -1.59 1.82 -0.03 3.23 4.07 -0.37 -4.79 120.64 122.98 1zgw n GLU 95 Ca 0.03 -0.12 -0.02 0.00 -0.06 0.00 0.00 57.16 56.99 1zgw n GLU 95 Cb 0.17 -0.49 -0.01 0.00 -0.06 0.00 0.00 31.44 31.05 1zgw n GLU 95 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 1zgw n GLN 96 N -0.29 0.20 0.00 5.31 7.27 0.39 -5.00 117.38 125.26 1zgw n GLN 96 Ca 0.00 0.38 0.00 0.00 0.07 0.00 0.00 57.00 57.45 1zgw n GLN 96 Cb 0.05 -1.18 0.00 0.00 2.41 0.00 0.00 30.24 31.52 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 -3.32 2.58 -0.05 3.69 0.28 -1.04 -5.05 120.64 117.72 1zgw n GLU 97 Ca -0.03 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.91 1zgw n GLU 97 Cb 0.12 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.97 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 1.35 -1.89 3.84 -1.04 -1.26 -4.88 114.28 110.40 1zgw n THR 98 Ca 0.00 0.22 -0.42 0.00 -2.04 0.00 0.00 64.05 61.81 1zgw n THR 98 Cb 0.00 -2.10 -0.03 0.00 -1.82 0.00 0.00 70.33 66.38 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 -2.58 4.19 0.76 -2.82 0.04 -1.26 -4.95 135.00 128.38 1zgw s PRO 99 Ca -0.20 2.42 -0.12 0.00 0.04 0.00 0.00 61.00 63.15 1zgw s PRO 99 Cb 0.03 -3.12 0.05 0.00 0.04 0.00 0.00 34.50 31.49 1zgw s PRO 99 CO 0.30 -0.62 1.11 0.08 0.04 0.00 0.00 177.00 177.90 1zgw s VAL 100 N 0.98 3.06 -0.55 -0.36 1.01 -1.26 -4.81 120.40 118.46 1zgw s VAL 100 Ca 0.70 0.34 -0.07 0.00 0.00 0.00 0.00 61.98 62.95 1zgw s VAL 100 Cb -0.45 -3.24 0.14 0.00 0.00 0.00 0.00 36.38 32.83 1zgw s VAL 100 CO 0.33 -0.45 0.40 0.42 0.00 0.00 0.00 175.10 175.80 1zgw s THR 101 N -3.31 4.05 0.00 3.92 -4.23 -1.26 -4.54 115.64 110.27 1zgw s THR 101 Ca 0.60 -2.27 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1zgw s THR 101 Cb -0.12 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.06 1zgw s THR 101 CO 0.52 -0.82 0.00 0.18 -0.54 0.00 0.00 174.62 173.96 1zgw n LEU 102 N 4.31 0.28 -0.34 4.79 4.32 -1.26 -4.81 117.00 124.28 1zgw n LEU 102 Ca 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 56.01 56.16 1zgw n LEU 102 Cb 0.41 0.00 0.32 0.00 -1.62 0.00 0.00 43.42 42.52 1zgw n LEU 102 CO 0.37 0.05 0.82 -0.08 -1.22 0.00 0.00 177.39 177.33 1zgw h GLU 103 N 0.00 0.00 -0.21 3.23 4.57 -1.98 0.95 114.58 121.13 1zgw h GLU 103 Ca 0.00 -0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.99 1zgw h GLU 103 Cb 0.34 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1zgw h GLU 103 CO 0.00 0.00 -0.62 0.00 -1.18 0.00 0.00 179.01 177.21 1zgw h ALA 104 N 2.00 0.51 0.52 2.92 0.00 -1.96 -1.48 119.26 121.77 1zgw h ALA 104 Ca 0.62 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1zgw h ALA 104 Cb 1.33 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.06 1zgw h ALA 104 CO -0.93 0.69 -0.25 -0.07 0.00 0.00 0.00 179.25 178.70 1zgw h LEU 105 N 0.54 -0.59 -1.00 0.00 3.38 -0.19 -1.64 115.31 115.81 1zgw h LEU 105 Ca -0.01 -0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.03 1zgw h LEU 105 Cb 1.21 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 42.03 1zgw h LEU 105 CO 0.13 -0.23 0.63 0.00 0.09 0.00 0.00 178.44 179.06 1zgw h ALA 106 N -0.77 1.52 -0.67 1.53 0.00 0.53 -0.77 119.26 120.63 1zgw h ALA 106 Ca -0.07 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1zgw h ALA 106 Cb 0.62 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1zgw h ALA 106 CO 0.12 0.22 0.15 -0.44 0.00 0.00 0.00 179.25 179.30 1zgw h ASP 107 N 0.99 1.01 -0.50 0.00 5.19 -1.21 0.93 116.42 122.83 1zgw h ASP 107 Ca 0.50 -0.21 -0.08 0.00 -0.62 0.00 0.00 57.03 56.62 1zgw h ASP 107 Cb 0.50 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.72 1zgw h ASP 107 CO -0.27 0.98 -0.00 -0.61 -3.12 0.00 0.00 179.24 176.22 1zgw h GLN 108 N 1.01 0.88 0.00 3.56 5.75 -0.16 -3.12 115.11 123.03 1zgw h GLN 108 Ca 0.21 -0.28 -0.05 0.00 -0.15 0.00 0.00 58.65 58.38 1zgw h GLN 108 Cb 0.37 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 1zgw h GLN 108 CO 0.00 0.91 -0.89 0.28 -2.65 0.00 0.00 178.83 176.49 1zgw h VAL 109 N 0.74 0.20 -0.98 2.39 2.07 -1.17 -3.48 116.25 116.01 1zgw h VAL 109 Ca 0.14 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.31 1zgw h VAL 109 Cb 0.52 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1zgw h VAL 109 CO 0.03 0.11 -0.01 0.00 0.02 0.00 0.00 177.57 177.72 1zgw n ALA 110 N -2.22 -0.01 -2.25 1.67 0.00 0.32 -5.07 120.51 112.93 1zgw n ALA 110 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.29 1zgw n ALA 110 Cb 0.63 -0.56 -0.10 0.00 0.00 0.00 0.00 19.45 19.42 1zgw n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1zgw s MET 111 N -4.94 1.20 0.97 0.00 0.23 -0.69 -5.02 119.30 111.04 1zgw s MET 111 Ca 0.01 -1.61 -0.13 0.00 -1.03 0.00 0.00 55.69 52.93 1zgw s MET 111 Cb -0.00 -0.15 0.17 0.00 -1.53 0.00 0.00 34.83 33.32 1zgw s MET 111 CO 0.01 -0.23 1.13 -1.54 -2.03 0.00 0.00 175.02 172.36 1zgw s SER 112 N -3.20 2.96 0.37 -1.18 1.04 -1.26 -4.61 113.70 107.82 1zgw s SER 112 Ca 0.30 0.96 0.05 0.00 0.48 0.00 0.00 55.95 57.74 1zgw s SER 112 Cb 0.07 -1.51 0.72 0.00 0.10 0.00 0.00 66.02 65.39 1zgw s SER 112 CO 0.08 -2.89 1.98 1.55 0.98 0.00 0.00 173.24 174.93 1zgw h PRO 113 N -1.73 0.60 -0.36 4.02 0.13 -1.98 -0.13 132.00 132.54 1zgw h PRO 113 Ca -0.51 -0.07 -0.14 0.00 -0.87 0.00 0.00 66.00 64.41 1zgw h PRO 113 Cb 1.33 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1zgw h PRO 113 CO 0.57 0.47 -0.31 0.74 -0.23 0.00 0.00 178.00 179.25 1zgw h PHE 114 N 0.60 1.01 0.00 1.56 -1.00 -2.00 -2.08 116.94 115.04 1zgw h PHE 114 Ca 0.15 -0.29 -0.11 0.00 2.81 0.00 0.00 57.97 60.53 1zgw h PHE 114 Cb 0.07 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.40 1zgw h PHE 114 CO 0.00 1.08 -0.52 1.25 -1.61 0.00 0.00 178.31 178.52 1zgw h HIS 115 N 0.65 0.00 -0.54 -0.55 2.76 -1.78 -1.24 115.15 114.45 1zgw h HIS 115 Ca 0.06 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 1zgw h HIS 115 Cb 0.89 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.82 1zgw h HIS 115 CO 0.06 0.52 0.25 1.25 -1.30 0.00 0.00 177.93 178.72 1zgw h LEU 116 N 0.00 0.71 -0.37 0.26 7.12 -0.81 0.17 115.31 122.38 1zgw h LEU 116 Ca -0.01 -0.14 0.01 0.00 0.13 0.00 0.00 57.88 57.88 1zgw h LEU 116 Cb 0.92 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.85 1zgw h LEU 116 CO 0.07 0.64 0.23 0.45 -0.13 0.00 0.00 178.44 179.70 1zgw h HIS 117 N 0.72 0.43 -0.86 1.25 3.86 -1.04 -0.22 115.15 119.29 1zgw h HIS 117 Ca 0.18 0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.53 1zgw h HIS 117 Cb 0.13 -0.14 -0.06 0.00 1.06 0.00 0.00 27.41 28.40 1zgw h HIS 117 CO -0.00 0.26 0.55 0.00 0.86 0.00 0.00 177.93 179.60 1zgw h ARG 118 N 0.46 0.71 -0.23 2.45 2.47 -0.28 -0.88 114.38 119.08 1zgw h ARG 118 Ca 0.14 -0.04 -0.07 0.00 -1.26 0.00 0.00 59.98 58.76 1zgw h ARG 118 Cb -0.01 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.14 1zgw h ARG 118 CO -0.06 0.47 -0.12 1.25 0.56 0.00 0.00 179.97 182.07 1zgw h LEU 119 N 0.73 0.50 -0.97 3.04 7.12 0.62 -0.43 115.31 125.91 1zgw h LEU 119 Ca 0.41 -0.41 0.21 0.00 0.13 0.00 0.00 57.88 58.22 1zgw h LEU 119 Cb 0.58 -0.14 -0.11 0.00 -0.53 0.00 0.00 40.66 40.46 1zgw h LEU 119 CO -0.18 0.80 0.56 0.15 -0.13 0.00 0.00 178.44 179.65 1zgw h PHE 120 N 0.20 0.97 -0.10 1.25 3.04 0.30 0.16 116.94 122.76 1zgw h PHE 120 Ca 0.05 0.04 -0.21 0.00 3.98 0.00 0.00 57.97 61.83 1zgw h PHE 120 Cb 0.62 -0.28 0.01 0.00 2.56 0.00 0.00 35.95 38.86 1zgw h PHE 120 CO 0.06 0.14 -0.74 -0.22 -2.02 0.00 0.00 178.31 175.53 1zgw h LYS 121 N 0.65 0.68 0.23 1.11 3.64 -1.17 -0.96 116.57 120.75 1zgw h LYS 121 Ca 0.59 -0.60 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1zgw h LYS 121 Cb 1.00 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 1zgw h LYS 121 CO -0.43 1.21 -0.41 0.00 -2.27 0.00 0.00 179.45 177.55 1zgw h ALA 122 N 0.49 -0.98 0.53 5.00 0.00 0.94 1.86 119.26 127.10 1zgw h ALA 122 Ca -0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1zgw h ALA 122 Cb 1.39 0.73 0.01 0.00 0.00 0.00 0.00 17.79 19.91 1zgw h ALA 122 CO 0.15 -1.05 -0.26 1.15 0.00 0.00 0.00 179.25 179.25 1zgw h THR 123 N -0.69 0.02 -1.04 0.00 2.02 -1.05 -3.00 112.91 109.16 1zgw h THR 123 Ca -0.02 -0.48 0.29 0.00 0.77 0.00 0.00 66.41 66.96 1zgw h THR 123 Cb 0.64 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.01 1zgw h THR 123 CO -0.15 0.00 0.72 0.00 0.37 0.00 0.00 175.52 176.46 1zgw h THR 124 N -1.19 0.50 0.00 3.16 1.03 -1.22 -3.46 112.91 111.74 1zgw h THR 124 Ca -0.07 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 66.27 1zgw h THR 124 Cb 0.56 0.33 0.00 0.00 -1.07 0.00 0.00 68.15 67.96 1zgw h THR 124 CO 0.12 0.03 0.00 0.61 -0.01 0.00 0.00 175.52 176.27 1zgw n GLY 125 N -1.64 2.72 2.69 2.99 0.00 0.63 -4.96 105.19 107.63 1zgw n GLY 125 Ca 0.23 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 45.40 1zgw n GLY 125 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1zgw n MET 126 N 0.00 1.20 -2.76 1.61 0.00 -0.97 -4.66 117.12 111.55 1zgw n MET 126 Ca 0.00 -1.97 -0.02 0.00 0.00 0.00 0.00 57.70 55.70 1zgw n MET 126 Cb 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 33.22 33.07 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 -0.23 -0.47 0.00 2.03 2.01 -1.26 -5.00 115.64 112.72 1zgw s THR 127 Ca 0.22 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 61.87 1zgw s THR 127 Cb 0.41 0.00 0.00 0.00 0.01 0.00 0.00 72.50 72.92 1zgw s THR 127 CO -0.08 0.00 0.00 -0.81 -0.69 0.00 0.00 174.62 173.04 1zgw n PRO 128 N 3.02 0.00 0.33 4.92 -0.04 -1.25 -3.15 135.00 138.83 1zgw n PRO 128 Ca 0.12 0.00 0.21 0.00 -0.04 0.00 0.00 63.50 63.79 1zgw n PRO 128 Cb 0.62 0.00 1.16 0.00 -0.04 0.00 0.00 33.50 35.24 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 -0.17 0.54 3.64 -1.89 0.19 116.57 118.89 1zgw h LYS 129 Ca 0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1zgw h LYS 129 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1zgw h LYS 129 CO 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 179.45 176.80 1zgw h ALA 130 N 2.00 1.03 -0.56 5.00 0.00 -1.94 -1.54 119.26 123.24 1zgw h ALA 130 Ca -0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1zgw h ALA 130 Cb 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1zgw h ALA 130 CO 0.00 0.60 0.15 -1.49 0.00 0.00 0.00 179.25 178.52 1zgw h TRP 131 N 0.32 0.93 -0.88 0.00 -0.00 -0.90 -0.16 115.95 115.25 1zgw h TRP 131 Ca 0.03 -0.10 0.14 0.00 -0.00 0.00 0.00 58.89 58.96 1zgw h TRP 131 Cb 0.82 -0.26 -0.07 0.00 -0.00 0.00 0.00 29.16 29.65 1zgw h TRP 131 CO 0.02 0.79 0.57 0.37 -0.00 0.00 0.00 178.44 180.19 1zgw h GLN 132 N 0.79 0.64 0.27 0.49 4.15 -1.27 0.14 115.11 120.33 1zgw h GLN 132 Ca 0.18 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 1zgw h GLN 132 Cb 0.32 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1zgw h GLN 132 CO -0.00 0.42 -0.13 0.37 -1.93 0.00 0.00 178.83 177.56 1zgw h GLN 133 N 0.66 -0.35 -0.96 1.69 4.15 -0.12 -1.63 115.11 118.54 1zgw h GLN 133 Ca 0.44 0.02 0.15 0.00 0.77 0.00 0.00 58.65 60.04 1zgw h GLN 133 Cb 0.74 0.08 -0.09 0.00 0.21 0.00 0.00 27.48 28.42 1zgw h GLN 133 CO -0.20 -0.03 0.57 0.00 -1.93 0.00 0.00 178.83 177.25 1zgw h ALA 134 N -0.15 1.49 -0.12 3.38 0.00 -0.09 0.22 119.26 124.00 1zgw h ALA 134 Ca -0.04 0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1zgw h ALA 134 Cb 0.49 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1zgw h ALA 134 CO 0.06 0.04 -0.12 -1.49 0.00 0.00 0.00 179.25 177.74 1zgw h TRP 135 N 0.81 -0.30 0.00 0.00 -0.00 -0.63 0.25 115.95 116.08 1zgw h TRP 135 Ca 0.51 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.42 1zgw h TRP 135 Cb 0.68 0.15 0.00 0.00 -0.00 0.00 0.00 29.16 29.99 1zgw h TRP 135 CO -0.03 -0.18 0.00 -2.13 -0.00 0.00 0.00 178.44 176.10 1zgw n ARG 136 N -5.26 0.02 -0.04 0.49 0.63 0.53 -0.06 116.66 112.97 1zgw n ARG 136 Ca -0.03 0.37 -0.21 0.00 -0.92 0.00 0.00 57.85 57.05 1zgw n ARG 136 Cb 0.18 -1.54 -0.13 0.00 0.45 0.00 0.00 32.46 31.42 1zgw n ARG 136 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1zgw n ALA 137 N -1.53 0.99 -0.14 5.13 0.00 0.72 -4.70 120.51 120.99 1zgw n ALA 137 Ca 0.02 -0.70 -0.29 0.00 0.00 0.00 0.00 53.44 52.48 1zgw n ALA 137 Cb 0.11 -0.53 -0.10 0.00 0.00 0.00 0.00 19.45 18.93 1zgw n ALA 137 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1zgw n ARG 138 N -3.55 0.57 0.00 0.00 0.63 -0.18 -5.10 116.66 109.04 1zgw n ARG 138 Ca -0.35 0.25 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 1zgw n ARG 138 Cb 1.00 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 32.45 1zgw n ARG 138 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99