#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gzf s PHE 2 N 0.00 2.53 -0.24 -1.77 0.40 -1.26 0.11 117.98 117.75 3gzf s PHE 2 Ca 0.00 -0.28 -0.03 0.00 -0.60 0.00 0.00 56.93 56.02 3gzf s PHE 2 Cb 0.00 -1.51 0.01 0.00 0.51 0.00 0.00 43.02 42.03 3gzf s PHE 2 CO 0.00 0.16 -0.06 -1.83 0.70 0.00 0.00 175.22 174.19 3gzf s GLU 3 N -1.03 3.07 6.55 0.44 -1.05 -1.12 -4.93 118.70 120.63 3gzf s GLU 3 Ca 0.12 -0.82 0.00 0.00 -0.15 0.00 0.00 54.97 54.12 3gzf s GLU 3 Cb -0.10 -2.98 0.00 0.00 -0.44 0.00 0.00 34.13 30.60 3gzf s GLU 3 CO 0.02 -0.31 0.00 0.41 0.95 0.00 0.00 175.26 176.33 3gzf n GLY 4 N 4.73 2.12 0.00 -3.83 0.00 -1.26 -2.94 105.19 104.01 3gzf n GLY 4 Ca -0.17 0.26 0.03 0.00 0.00 0.00 0.00 46.02 46.14 3gzf n GLY 4 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gzf n ASP 5 N 11.01 0.82 -4.74 1.61 2.03 -1.26 -5.00 116.55 121.01 3gzf n ASP 5 Ca 0.00 -0.53 -0.31 0.00 0.52 0.00 0.00 54.79 54.47 3gzf n ASP 5 Cb 0.00 1.04 -0.07 0.00 -0.72 0.00 0.00 41.12 41.37 3gzf n ASP 5 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 3gzf s LYS 6 N -1.67 2.82 0.36 -0.67 -2.85 -1.15 -5.09 119.74 111.49 3gzf s LYS 6 Ca 0.01 -0.68 -0.28 0.00 -1.00 0.00 0.00 55.97 54.03 3gzf s LYS 6 Cb 0.04 -2.70 -0.10 0.00 -2.06 0.00 0.00 37.83 33.02 3gzf s LYS 6 CO 0.23 0.58 1.27 0.12 0.10 0.00 0.00 175.35 177.66 3gzf s PHE 7 N -1.30 3.02 0.00 1.78 5.36 -1.26 -2.78 117.98 122.80 3gzf s PHE 7 Ca 0.26 1.45 0.00 0.00 -0.96 0.00 0.00 56.93 57.68 3gzf s PHE 7 Cb -0.12 -3.61 0.00 0.00 -0.34 0.00 0.00 43.02 38.95 3gzf s PHE 7 CO 0.18 -1.76 0.00 0.28 -1.46 0.00 0.00 175.22 172.46 3gzf n VAL 8 N 0.54 0.00 -1.36 3.12 0.31 0.31 -4.89 118.33 116.36 3gzf n VAL 8 Ca 0.02 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.99 3gzf n VAL 8 Cb 0.43 1.38 0.10 0.00 -0.91 0.00 0.00 33.84 34.84 3gzf n VAL 8 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gzf n GLY 9 N 0.00 0.03 3.83 2.92 0.00 -0.61 -4.92 105.19 106.45 3gzf n GLY 9 Ca 0.00 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 3gzf n GLY 9 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gzf s SER 10 N -1.76 3.65 0.32 1.61 1.04 -1.26 -4.85 113.70 112.45 3gzf s SER 10 Ca 0.76 0.79 0.03 0.00 0.48 0.00 0.00 55.95 58.01 3gzf s SER 10 Cb -0.33 -1.24 0.55 0.00 0.10 0.00 0.00 66.02 65.09 3gzf s SER 10 CO 0.47 -2.44 1.87 0.15 0.98 0.00 0.00 173.24 174.27 3gzf h PHE 11 N -1.43 0.65 0.10 5.02 3.04 -1.93 -1.69 116.94 120.70 3gzf h PHE 11 Ca -0.48 -0.06 -0.00 0.00 3.98 0.00 0.00 57.97 61.41 3gzf h PHE 11 Cb 1.32 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.64 3gzf h PHE 11 CO -0.03 0.58 -0.05 0.93 -2.02 0.00 0.00 178.31 177.72 3gzf h GLU 12 N 0.61 -0.13 0.37 1.11 3.07 -1.99 0.39 114.58 118.00 3gzf h GLU 12 Ca 0.14 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.00 3gzf h GLU 12 Cb 0.29 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 3gzf h GLU 12 CO 0.00 0.36 -0.28 0.77 -1.40 0.00 0.00 179.01 178.46 3gzf h SER 13 N -0.72 -0.73 -0.78 1.42 0.02 -1.94 -2.56 113.55 108.26 3gzf h SER 13 Ca -0.01 0.06 0.16 0.00 -0.84 0.00 0.00 61.79 61.16 3gzf h SER 13 Cb 0.55 0.23 -0.15 0.00 0.14 0.00 0.00 62.40 63.18 3gzf h SER 13 CO 0.02 -0.42 -0.15 0.00 -1.14 0.00 0.00 176.83 175.14 3gzf h ALA 14 N -0.09 0.59 -0.98 3.77 0.00 -1.32 0.19 119.26 121.42 3gzf h ALA 14 Ca -0.03 0.29 0.28 0.00 0.00 0.00 0.00 54.91 55.46 3gzf h ALA 14 Cb 0.56 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3gzf h ALA 14 CO -0.00 -0.42 0.70 0.00 0.00 0.00 0.00 179.25 179.53 3gzf h ALA 15 N 1.77 2.91 0.00 0.00 0.00 -0.48 0.15 119.26 123.62 3gzf h ALA 15 Ca 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3gzf h ALA 15 Cb 0.63 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3gzf h ALA 15 CO -0.78 -1.19 -1.00 -1.33 0.00 0.00 0.00 179.25 174.94 3gzf n MET 16 N -4.25 0.09 -1.19 0.00 2.81 0.62 -4.47 117.12 110.73 3gzf n MET 16 Ca 0.21 -0.02 -0.00 0.00 -1.81 0.00 0.00 57.70 56.07 3gzf n MET 16 Cb 1.04 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 32.04 3gzf n MET 16 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gzf n GLY 17 N 1.46 2.28 3.23 3.03 0.00 0.52 -4.59 105.19 111.11 3gzf n GLY 17 Ca 0.03 -2.14 -0.34 0.00 0.00 0.00 0.00 46.02 43.57 3gzf n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gzf s THR 18 N 0.63 2.73 0.17 2.61 2.01 -1.26 -3.76 115.64 118.77 3gzf s THR 18 Ca 0.01 -0.71 -0.21 0.00 0.31 0.00 0.00 61.69 61.08 3gzf s THR 18 Cb -0.00 -2.20 0.06 0.00 0.01 0.00 0.00 72.50 70.37 3gzf s THR 18 CO 0.01 0.48 0.57 0.72 -0.69 0.00 0.00 174.62 175.71 3gzf s PHE 19 N 1.31 -0.42 -0.06 4.92 -0.71 -0.79 -5.00 117.98 117.25 3gzf s PHE 19 Ca 0.04 0.16 -0.23 0.00 -1.04 0.00 0.00 56.93 55.85 3gzf s PHE 19 Cb -0.14 0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 42.14 3gzf s PHE 19 CO -0.07 -0.86 0.70 0.08 -1.34 0.00 0.00 175.22 173.73 3gzf s VAL 20 N -3.78 5.02 -0.38 -2.49 1.01 -1.26 0.55 120.40 119.07 3gzf s VAL 20 Ca 0.03 1.44 -0.24 0.00 0.00 0.00 0.00 61.98 63.21 3gzf s VAL 20 Cb -0.01 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.35 3gzf s VAL 20 CO -0.10 0.27 0.82 -0.63 0.00 0.00 0.00 175.10 175.45 3gzf s ILE 21 N 0.68 4.68 0.22 2.22 1.01 0.30 -4.76 121.20 125.55 3gzf s ILE 21 Ca 0.37 0.89 0.04 0.00 0.00 0.00 0.00 60.65 61.95 3gzf s ILE 21 Cb -0.18 -4.26 -0.01 0.00 0.01 0.00 0.00 42.46 38.02 3gzf s ILE 21 CO 0.18 -0.50 0.14 -0.90 0.00 0.00 0.00 174.94 173.86 3gzf n ASP 22 N 6.56 0.15 0.28 3.58 5.68 -1.26 -0.83 116.55 130.71 3gzf n ASP 22 Ca 0.04 -2.35 0.14 0.00 -0.50 0.00 0.00 54.79 52.12 3gzf n ASP 22 Cb 0.48 0.89 0.83 0.00 -1.14 0.00 0.00 41.12 42.18 3gzf n ASP 22 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gzf h MET 23 N 0.00 0.00 0.13 0.11 -0.00 -1.94 -0.36 114.93 112.88 3gzf h MET 23 Ca -0.16 0.00 -0.32 0.00 -0.00 0.00 0.00 59.70 59.21 3gzf h MET 23 Cb 0.75 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.34 3gzf h MET 23 CO 0.25 0.06 -1.63 0.00 -0.00 0.00 0.00 176.91 175.59 3gzf h ARG 24 N 0.00 0.28 0.06 -0.10 3.08 -1.95 -1.18 114.38 114.57 3gzf h ARG 24 Ca -0.00 -0.49 -0.26 0.00 0.07 0.00 0.00 59.98 59.30 3gzf h ARG 24 Cb 0.17 0.18 0.02 0.00 0.08 0.00 0.00 29.97 30.42 3gzf h ARG 24 CO 0.01 1.15 -1.11 0.66 -1.07 0.00 0.00 179.97 179.62 3gzf h SER 25 N 0.08 0.70 -0.16 7.04 4.64 -1.81 -2.28 113.55 121.77 3gzf h SER 25 Ca -0.28 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 60.43 3gzf h SER 25 Cb 2.04 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.90 3gzf h SER 25 CO 0.16 1.43 0.09 0.22 -0.87 0.00 0.00 176.83 177.86 3gzf h TYR 26 N 0.25 0.18 -0.73 4.77 3.20 -1.13 -0.19 116.97 123.31 3gzf h TYR 26 Ca -0.13 0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.84 3gzf h TYR 26 Cb 1.77 -0.06 -0.07 0.00 1.54 0.00 0.00 36.73 39.91 3gzf h TYR 26 CO 0.09 0.11 0.37 1.49 -1.64 0.00 0.00 178.16 178.58 3gzf h GLU 27 N 0.19 0.61 -0.28 1.82 4.81 -1.20 -1.26 114.58 119.28 3gzf h GLU 27 Ca 0.06 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3gzf h GLU 27 Cb -0.01 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3gzf h GLU 27 CO -0.02 0.41 0.14 1.15 -0.73 0.00 0.00 179.01 179.95 3gzf h THR 28 N 0.63 1.14 0.44 0.32 2.02 -0.71 -2.58 112.91 114.18 3gzf h THR 28 Ca 0.36 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 3gzf h THR 28 Cb 0.37 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3gzf h THR 28 CO -0.27 0.14 -0.21 -0.07 0.37 0.00 0.00 175.52 175.49 3gzf h LEU 29 N 0.32 -0.50 -1.47 2.58 3.38 -0.72 -2.88 115.31 116.02 3gzf h LEU 29 Ca 0.10 -0.07 0.37 0.00 0.09 0.00 0.00 57.88 58.36 3gzf h LEU 29 Cb 0.10 0.13 -0.11 0.00 0.09 0.00 0.00 40.66 40.88 3gzf h LEU 29 CO -0.01 -0.08 0.80 0.58 0.09 0.00 0.00 178.44 179.82 3gzf h VAL 30 N -1.06 0.30 -0.19 1.22 2.07 -1.32 0.61 116.25 117.87 3gzf h VAL 30 Ca -0.06 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3gzf h VAL 30 Cb 0.54 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3gzf h VAL 30 CO 0.10 0.03 0.00 0.59 0.02 0.00 0.00 177.57 178.31 3gzf n ASN 31 N -4.59 1.81 -0.36 0.57 3.02 -0.97 -3.60 115.26 111.14 3gzf n ASN 31 Ca 0.32 -1.75 0.04 0.00 -0.03 0.00 0.00 54.58 53.16 3gzf n ASN 31 Cb 1.22 -0.12 0.05 0.00 -0.61 0.00 0.00 39.78 40.32 3gzf n ASN 31 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3gzf n SER 32 N 0.42 0.89 0.00 6.41 3.41 0.21 -4.89 113.62 120.07 3gzf n SER 32 Ca 0.16 -2.41 0.00 0.00 -0.26 0.00 0.00 58.87 56.36 3gzf n SER 32 Cb 0.35 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3gzf n SER 32 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3gzf n THR 33 N -0.53 0.00 -0.94 6.66 -1.04 -0.91 -4.87 114.28 112.65 3gzf n THR 33 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 3gzf n THR 33 Cb 0.68 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.18 3gzf n THR 33 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3gzf n SER 34 N -0.38 0.00 -0.28 8.00 3.41 -1.26 -4.22 113.62 118.89 3gzf n SER 34 Ca 0.00 0.00 0.25 0.00 -0.26 0.00 0.00 58.87 58.86 3gzf n SER 34 Cb 0.01 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.40 3gzf n SER 34 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3gzf n LEU 35 N 0.00 0.19 0.08 1.04 7.94 -1.24 -1.64 117.00 123.37 3gzf n LEU 35 Ca 0.00 1.05 -0.12 0.00 -1.11 0.00 0.00 56.01 55.82 3gzf n LEU 35 Cb 0.00 -0.51 -0.08 0.00 0.53 0.00 0.00 43.42 43.35 3gzf n LEU 35 CO 0.00 -1.16 0.54 0.44 -1.11 0.00 0.00 177.39 176.10 3gzf h ASP 36 N 0.00 -0.19 -0.45 1.96 3.32 -1.94 -0.71 116.42 118.40 3gzf h ASP 36 Ca 0.60 -0.31 0.07 0.00 0.02 0.00 0.00 57.03 57.42 3gzf h ASP 36 Cb 1.79 0.05 -0.06 0.00 0.22 0.00 0.00 39.33 41.33 3gzf h ASP 36 CO -0.42 0.25 0.09 0.03 -1.72 0.00 0.00 179.24 177.47 3gzf h ARG 37 N -0.69 0.22 -0.44 3.56 3.08 -1.48 -1.48 114.38 117.16 3gzf h ARG 37 Ca -0.02 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.07 3gzf h ARG 37 Cb 0.49 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.44 3gzf h ARG 37 CO 0.04 0.15 0.13 0.82 -1.07 0.00 0.00 179.97 180.04 3gzf h ILE 38 N 0.23 0.82 -0.12 2.04 2.04 -1.46 0.72 117.51 121.78 3gzf h ILE 38 Ca 0.22 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 66.02 3gzf h ILE 38 Cb 0.28 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 3gzf h ILE 38 CO -0.29 0.05 -0.11 0.11 0.00 0.00 0.00 178.15 177.92 3gzf h LYS 39 N 0.28 -0.12 0.31 2.37 1.57 -0.62 0.76 116.57 121.12 3gzf h LYS 39 Ca 0.21 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3gzf h LYS 39 Cb 0.23 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 3gzf h LYS 39 CO -0.24 -0.08 -0.45 0.66 -0.57 0.00 0.00 179.45 178.77 3gzf h SER 40 N -0.13 -1.29 -0.87 0.86 4.64 -0.20 0.89 113.55 117.46 3gzf h SER 40 Ca 0.08 0.12 0.18 0.00 -0.47 0.00 0.00 61.79 61.69 3gzf h SER 40 Cb 0.25 0.44 -0.16 0.00 -0.31 0.00 0.00 62.40 62.62 3gzf h SER 40 CO -0.20 -0.55 -0.21 1.88 -0.87 0.00 0.00 176.83 176.89 3gzf h TYR 41 N -0.80 -0.44 -0.74 4.77 0.05 -0.65 0.70 116.97 119.87 3gzf h TYR 41 Ca -0.04 0.08 0.14 0.00 0.05 0.00 0.00 58.73 58.96 3gzf h TYR 41 Cb 0.73 0.33 -0.09 0.00 1.01 0.00 0.00 36.73 38.70 3gzf h TYR 41 CO -0.31 -0.37 0.29 0.00 -1.05 0.00 0.00 178.16 176.72 3gzf h ALA 42 N 1.87 1.03 -0.77 3.88 0.00 0.33 -2.14 119.26 123.44 3gzf h ALA 42 Ca 0.42 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.54 3gzf h ALA 42 Cb 0.65 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.41 3gzf h ALA 42 CO -0.89 -0.21 -0.49 -0.97 0.00 0.00 0.00 179.25 176.69 3gzf h ASN 43 N 0.44 -1.76 0.00 0.00 -0.73 0.28 0.08 115.58 113.89 3gzf h ASN 43 Ca 0.40 0.29 0.00 0.00 1.87 0.00 0.00 56.30 58.86 3gzf h ASN 43 Cb 0.60 0.80 0.00 0.00 0.27 0.00 0.00 38.32 39.99 3gzf h ASN 43 CO -0.40 -0.30 0.00 -1.54 -0.37 0.00 0.00 177.43 174.82 3gzf n SER 44 N -5.36 0.00 -0.14 1.15 3.41 -0.80 -3.75 113.62 108.12 3gzf n SER 44 Ca 0.03 -0.53 -0.04 0.00 -0.26 0.00 0.00 58.87 58.06 3gzf n SER 44 Cb 0.33 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.32 3gzf n SER 44 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3gzf h PHE 45 N 0.00 0.25 0.00 7.33 3.04 -1.05 -1.09 116.94 125.42 3gzf h PHE 45 Ca 0.00 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.93 3gzf h PHE 45 Cb 0.00 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.46 3gzf h PHE 45 CO 0.00 0.08 -0.18 -0.91 -2.02 0.00 0.00 178.31 175.28 3gzf h ASN 46 N 0.31 0.00 -0.15 0.41 2.35 -1.80 1.31 115.58 118.00 3gzf h ASN 46 Ca 0.21 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 3gzf h ASN 46 Cb 0.22 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3gzf h ASN 46 CO -0.23 0.18 0.06 0.11 -1.65 0.00 0.00 177.43 175.90 3gzf h LYS 47 N 0.00 0.30 0.00 0.81 1.57 -1.47 -3.30 116.57 114.47 3gzf h LYS 47 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3gzf h LYS 47 Cb 0.34 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3gzf h LYS 47 CO 0.02 0.27 -0.14 0.66 -0.57 0.00 0.00 179.45 179.69 3gzf n TYR 48 N -4.42 0.00 -0.32 -1.35 4.02 0.61 -4.04 117.16 111.66 3gzf n TYR 48 Ca 0.00 0.00 0.19 0.00 -0.01 0.00 0.00 57.90 58.08 3gzf n TYR 48 Cb 0.14 -0.00 0.39 0.00 -0.02 0.00 0.00 39.34 39.85 3gzf n TYR 48 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 3gzf h LYS 49 N 0.00 0.20 0.00 -0.72 3.64 0.14 -2.75 116.57 117.08 3gzf h LYS 49 Ca 0.00 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 3gzf h LYS 49 Cb 0.07 -0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 31.74 3gzf h LYS 49 CO 0.00 0.13 -0.55 0.66 -2.27 0.00 0.00 179.45 177.42 3gzf n TYR 50 N -5.20 0.00 -0.89 1.91 4.01 -1.26 -5.08 117.16 110.65 3gzf n TYR 50 Ca 0.27 -0.53 -0.35 0.00 -0.16 0.00 0.00 57.90 57.13 3gzf n TYR 50 Cb 0.87 -0.12 -0.05 0.00 -0.31 0.00 0.00 39.34 39.73 3gzf n TYR 50 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 3gzf n TYR 51 N -0.30 0.64 -4.16 -0.72 9.36 -1.04 -4.89 117.16 116.05 3gzf n TYR 51 Ca 0.07 0.61 -0.18 0.00 3.32 0.00 0.00 57.90 61.72 3gzf n TYR 51 Cb 0.81 -1.19 -0.15 0.00 -0.63 0.00 0.00 39.34 38.17 3gzf n TYR 51 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 3gzf s THR 52 N 0.76 0.46 -2.90 2.97 -1.32 -1.26 -5.06 115.64 109.30 3gzf s THR 52 Ca 0.54 -0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.85 3gzf s THR 52 Cb -0.76 -0.45 0.00 0.00 -1.51 0.00 0.00 72.50 69.78 3gzf s THR 52 CO 0.38 0.17 0.00 0.61 -2.21 0.00 0.00 174.62 173.57 3gzf n GLY 53 N 3.51 0.74 3.77 6.08 0.00 -1.26 -5.06 105.19 112.96 3gzf n GLY 53 Ca -0.20 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.37 3gzf n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gzf s SER 54 N -4.00 6.91 -0.15 1.61 1.04 -1.26 -5.05 113.70 112.81 3gzf s SER 54 Ca 0.00 1.09 -0.16 0.00 0.48 0.00 0.00 55.95 57.36 3gzf s SER 54 Cb 0.00 -2.34 -0.04 0.00 0.10 0.00 0.00 66.02 63.74 3gzf s SER 54 CO 0.00 0.12 0.41 -0.04 0.98 0.00 0.00 173.24 174.71 3gzf s MET 55 N -0.20 4.28 0.57 4.02 1.00 -1.26 -5.05 119.30 122.66 3gzf s MET 55 Ca 0.29 0.29 -0.10 0.00 0.00 0.00 0.00 55.69 56.18 3gzf s MET 55 Cb -0.18 -3.46 0.14 0.00 0.00 0.00 0.00 34.83 31.33 3gzf s MET 55 CO 0.16 0.13 0.58 0.41 0.00 0.00 0.00 175.02 176.29 3gzf n GLY 56 N 3.46 -2.20 0.00 -0.03 0.00 -1.26 -4.88 105.19 100.29 3gzf n GLY 56 Ca -0.09 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3gzf n GLY 56 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3gzf n GLU 57 N -2.92 0.00 0.00 1.61 2.13 -1.26 -1.91 120.64 118.29 3gzf n GLU 57 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 3gzf n GLU 57 Cb 0.29 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.00 3gzf n GLU 57 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gzf n ALA 58 N -3.00 0.00 0.04 4.31 0.00 -1.26 -3.42 120.51 117.19 3gzf n ALA 58 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 3gzf n ALA 58 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3gzf n ALA 58 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3gzf h ASP 59 N 0.00 0.74 -0.21 0.00 3.32 -1.72 -2.36 116.42 116.19 3gzf h ASP 59 Ca 0.00 -0.57 0.05 0.00 0.02 0.00 0.00 57.03 56.53 3gzf h ASP 59 Cb 0.00 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 39.25 3gzf h ASP 59 CO 0.00 1.36 -0.45 0.22 -1.72 0.00 0.00 179.24 178.65 3gzf h TYR 60 N 0.35 -1.31 -0.27 4.55 3.20 -1.71 0.20 116.97 121.99 3gzf h TYR 60 Ca -0.09 0.06 0.06 0.00 3.14 0.00 0.00 58.73 61.90 3gzf h TYR 60 Cb 1.57 0.60 -0.07 0.00 1.54 0.00 0.00 36.73 40.37 3gzf h TYR 60 CO 0.08 -0.48 -0.26 -0.09 -1.64 0.00 0.00 178.16 175.77 3gzf h ARG 61 N -0.46 -0.24 -0.92 1.82 2.43 -1.77 -1.82 114.38 113.41 3gzf h ARG 61 Ca 0.08 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.32 3gzf h ARG 61 Cb 0.63 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.17 3gzf h ARG 61 CO -0.46 -0.16 0.60 0.52 -1.51 0.00 0.00 179.97 178.96 3gzf h MET 62 N -0.25 1.06 0.27 0.20 2.86 -0.84 0.43 114.93 118.66 3gzf h MET 62 Ca 0.14 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3gzf h MET 62 Cb 0.48 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 3gzf h MET 62 CO -0.41 0.70 -0.44 0.00 1.06 0.00 0.00 176.91 177.82 3gzf h ALA 63 N 1.49 -0.88 0.04 6.32 0.00 0.23 0.13 119.26 126.59 3gzf h ALA 63 Ca 0.38 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.20 3gzf h ALA 63 Cb 0.12 0.69 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 3gzf h ALA 63 CO -0.13 -1.05 -0.26 0.00 0.00 0.00 0.00 179.25 177.81 3gzf h TYR 65 N -0.43 0.75 -0.56 0.00 0.99 -0.83 0.02 116.97 116.91 3gzf h TYR 65 Ca 0.05 0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.78 3gzf h TYR 65 Cb 0.49 -0.20 -0.02 0.00 1.00 0.00 0.00 36.73 38.00 3gzf h TYR 65 CO -0.28 0.10 0.22 0.00 -0.00 0.00 0.00 178.16 178.20 3gzf h ALA 66 N 1.62 0.73 -0.30 3.88 0.00 0.35 -0.13 119.26 125.41 3gzf h ALA 66 Ca 0.51 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 3gzf h ALA 66 Cb 0.82 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3gzf h ALA 66 CO -0.42 0.35 -0.11 0.45 0.00 0.00 0.00 179.25 179.52 3gzf h HIS 67 N 0.77 0.69 -0.60 0.00 3.86 0.25 -1.57 115.15 118.55 3gzf h HIS 67 Ca 0.19 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 3gzf h HIS 67 Cb 0.21 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.49 3gzf h HIS 67 CO 0.01 0.81 0.29 1.25 0.86 0.00 0.00 177.93 181.15 3gzf h LEU 68 N 0.37 0.79 -0.17 2.43 7.12 -1.03 -1.86 115.31 122.95 3gzf h LEU 68 Ca 0.07 -0.13 0.04 0.00 0.13 0.00 0.00 57.88 57.99 3gzf h LEU 68 Cb 0.61 -0.20 -0.07 0.00 -0.53 0.00 0.00 40.66 40.47 3gzf h LEU 68 CO 0.04 0.70 -0.46 1.23 -0.13 0.00 0.00 178.44 179.82 3gzf h GLY 69 N 0.82 -0.79 0.70 3.75 0.00 -0.70 -0.41 103.07 106.45 3gzf h GLY 69 Ca 0.21 0.57 0.03 0.00 0.00 0.00 0.00 47.33 48.14 3gzf h GLY 69 CO -0.03 -0.21 -0.03 1.70 0.00 0.00 0.00 176.54 177.97 3gzf h LYS 70 N -0.50 0.01 -0.46 4.80 3.64 -1.05 -1.57 116.57 121.43 3gzf h LYS 70 Ca 0.07 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.54 3gzf h LYS 70 Cb 0.64 -0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.36 3gzf h LYS 70 CO -0.43 0.01 -0.31 0.00 -2.27 0.00 0.00 179.45 176.44 3gzf h ALA 71 N 1.15 -0.09 -0.32 5.00 0.00 -0.61 0.38 119.26 124.77 3gzf h ALA 71 Ca 0.07 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3gzf h ALA 71 Cb 0.11 0.70 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 3gzf h ALA 71 CO -0.15 -0.69 0.01 -0.07 0.00 0.00 0.00 179.25 178.35 3gzf h LEU 72 N -0.21 -0.11 -1.32 0.00 3.38 -0.66 -0.43 115.31 115.96 3gzf h LEU 72 Ca 0.20 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.28 3gzf h LEU 72 Cb 0.53 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3gzf h LEU 72 CO -0.58 -0.02 0.49 0.24 0.09 0.00 0.00 178.44 178.66 3gzf h MET 73 N 0.10 0.84 -0.46 1.13 2.86 -0.12 -0.83 114.93 118.45 3gzf h MET 73 Ca 0.16 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.70 3gzf h MET 73 Cb 0.21 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3gzf h MET 73 CO -0.26 0.56 0.10 -0.44 1.06 0.00 0.00 176.91 177.94 3gzf h ASP 74 N 0.87 0.71 -0.26 1.22 3.32 0.68 -2.52 116.42 120.43 3gzf h ASP 74 Ca 0.31 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3gzf h ASP 74 Cb 0.12 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3gzf h ASP 74 CO -0.09 0.76 0.11 0.22 -1.72 0.00 0.00 179.24 178.52 3gzf h TYR 75 N 0.62 0.44 -0.24 4.55 5.03 -0.24 -0.49 116.97 126.64 3gzf h TYR 75 Ca 0.14 -0.01 -0.12 0.00 2.58 0.00 0.00 58.73 61.32 3gzf h TYR 75 Cb 0.34 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.47 3gzf h TYR 75 CO 0.02 0.36 -0.35 0.66 -1.32 0.00 0.00 178.16 177.53 3gzf h SER 76 N 0.45 0.54 0.18 -2.11 4.64 -0.81 -3.09 113.55 113.35 3gzf h SER 76 Ca 0.11 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 3gzf h SER 76 Cb 0.11 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3gzf h SER 76 CO -0.01 0.85 -0.09 0.58 -0.87 0.00 0.00 176.83 177.29 3gzf h VAL 77 N 0.44 0.87 -3.68 0.95 2.07 -0.81 -3.41 116.25 112.68 3gzf h VAL 77 Ca 0.05 -0.97 -0.65 0.00 0.82 0.00 0.00 66.70 65.94 3gzf h VAL 77 Cb 0.82 1.40 -0.37 0.00 -1.52 0.00 0.00 31.29 31.61 3gzf h VAL 77 CO 0.07 0.20 -0.81 -0.94 0.02 0.00 0.00 177.57 176.11 3gzf s SER 78 N -5.38 4.07 -0.08 0.57 1.04 -0.32 -5.00 113.70 108.60 3gzf s SER 78 Ca -0.14 -1.21 -0.03 0.00 0.48 0.00 0.00 55.95 55.05 3gzf s SER 78 Cb 0.01 -1.44 -0.14 0.00 0.10 0.00 0.00 66.02 64.55 3gzf s SER 78 CO 0.52 -0.17 2.16 0.54 0.98 0.00 0.00 173.24 177.28 3gzf n ARG 79 N 4.52 1.15 -3.18 4.02 5.12 -1.21 -4.37 116.66 122.71 3gzf n ARG 79 Ca -0.15 -0.61 -0.42 0.00 -1.93 0.00 0.00 57.85 54.74 3gzf n ARG 79 Cb 0.44 -1.83 -0.07 0.00 -1.16 0.00 0.00 32.46 29.84 3gzf n ARG 79 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 3gzf s ASN 80 N 2.56 6.33 0.18 0.55 0.02 -1.26 -4.99 114.94 118.32 3gzf s ASN 80 Ca 0.36 -0.13 -0.32 0.00 -1.02 0.00 0.00 52.86 51.75 3gzf s ASN 80 Cb 0.16 -2.29 -0.16 0.00 0.02 0.00 0.00 41.25 38.98 3gzf s ASN 80 CO -0.00 -0.60 0.97 0.47 0.02 0.00 0.00 177.10 177.96 3gzf n ASP 81 N 5.94 0.53 -3.60 -1.22 8.00 -1.26 -4.88 116.55 120.06 3gzf n ASP 81 Ca -0.03 1.15 -0.16 0.00 0.71 0.00 0.00 54.79 56.46 3gzf n ASP 81 Cb 0.48 -1.13 -0.07 0.00 -0.02 0.00 0.00 41.12 40.39 3gzf n ASP 81 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3gzf s LYS 82 N -0.70 0.89 0.06 -1.24 2.20 -0.01 -4.97 119.74 115.97 3gzf s LYS 82 Ca 0.71 0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 56.62 3gzf s LYS 82 Cb -0.90 0.43 -0.05 0.00 -1.51 0.00 0.00 37.83 35.80 3gzf s LYS 82 CO 0.55 -0.19 0.96 -1.17 -0.36 0.00 0.00 175.35 175.14 3gzf s LEU 83 N -0.36 4.44 -0.14 5.43 2.96 -1.26 0.11 118.68 129.86 3gzf s LEU 83 Ca -0.05 1.73 -0.06 0.00 -0.22 0.00 0.00 54.13 55.53 3gzf s LEU 83 Cb -0.03 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 3gzf s LEU 83 CO 0.05 -0.14 0.07 -0.47 -1.32 0.00 0.00 176.35 174.54 3gzf s TYR 84 N 0.42 3.34 0.03 5.38 5.04 0.19 -4.87 117.35 126.88 3gzf s TYR 84 Ca 0.49 0.25 0.00 0.00 -2.44 0.00 0.00 57.07 55.37 3gzf s TYR 84 Cb -0.22 -1.96 -0.02 0.00 0.35 0.00 0.00 41.96 40.10 3gzf s TYR 84 CO 0.29 0.42 -0.04 0.95 -1.34 0.00 0.00 175.55 175.83 3gzf s THR 85 N -0.38 0.18 0.81 4.34 -4.23 -1.26 -1.88 115.64 113.23 3gzf s THR 85 Ca 0.09 -0.99 -0.11 0.00 -1.18 0.00 0.00 61.69 59.51 3gzf s THR 85 Cb -0.12 -0.39 0.08 0.00 1.34 0.00 0.00 72.50 73.41 3gzf s THR 85 CO 0.02 -0.51 1.11 -2.84 -0.54 0.00 0.00 174.62 171.86 3gzf s PRO 86 N -1.63 1.88 0.85 3.99 0.02 -1.25 -4.99 135.00 133.88 3gzf s PRO 86 Ca -0.14 1.30 -0.11 0.00 0.02 0.00 0.00 61.00 62.07 3gzf s PRO 86 Cb -0.09 -1.84 0.10 0.00 0.02 0.00 0.00 34.50 32.69 3gzf s PRO 86 CO -0.01 -1.94 1.09 -1.25 -0.33 0.00 0.00 177.00 174.56 3gzf s PRO 87 N -4.79 1.64 -0.09 5.54 0.04 -1.26 -5.00 135.00 131.08 3gzf s PRO 87 Ca 0.63 0.98 -0.27 0.00 0.04 0.00 0.00 61.00 62.38 3gzf s PRO 87 Cb -0.19 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 3gzf s PRO 87 CO 0.56 -2.02 0.90 0.99 0.04 0.00 0.00 177.00 177.47 3gzf s THR 88 N -2.91 4.88 -0.38 1.26 2.01 -1.26 -5.01 115.64 114.23 3gzf s THR 88 Ca 0.63 1.83 -0.01 0.00 0.31 0.00 0.00 61.69 64.45 3gzf s THR 88 Cb -0.18 -4.22 0.10 0.00 0.01 0.00 0.00 72.50 68.21 3gzf s THR 88 CO 0.57 0.09 0.14 -0.69 -0.69 0.00 0.00 174.62 174.04 3gzf s VAL 89 N 1.58 2.96 0.32 3.82 1.01 -1.26 -5.09 120.40 123.74 3gzf s VAL 89 Ca 0.45 -2.09 0.10 0.00 0.00 0.00 0.00 61.98 60.44 3gzf s VAL 89 Cb -0.18 -3.04 -0.06 0.00 0.00 0.00 0.00 36.38 33.10 3gzf s VAL 89 CO 0.19 -0.61 -0.10 -0.94 0.00 0.00 0.00 175.10 173.63 3gzf s SER 90 N 1.50 3.82 0.00 3.32 1.04 -1.26 -5.27 113.70 116.85 3gzf s SER 90 Ca 0.08 -1.07 0.15 0.00 0.48 0.00 0.00 55.95 55.58 3gzf s SER 90 Cb -0.21 -0.40 0.12 0.00 0.10 0.00 0.00 66.02 65.62 3gzf s SER 90 CO -0.05 -0.12 0.96 0.52 0.98 0.00 0.00 173.24 175.54