#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gzb n PHE 2 N 0.00 0.00 -4.46 1.61 3.72 -1.26 -5.30 117.46 111.77 3gzb n PHE 2 Ca 0.00 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.18 3gzb n PHE 2 Cb 0.00 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.43 3gzb n PHE 2 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gzb s ALA 3 N -2.00 2.43 -0.07 4.37 0.00 -1.26 -5.15 121.76 120.08 3gzb s ALA 3 Ca 0.00 -2.02 0.04 0.00 0.00 0.00 0.00 51.96 49.98 3gzb s ALA 3 Cb 0.00 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.52 3gzb s ALA 3 CO 0.00 -0.19 -0.21 0.45 0.00 0.00 0.00 175.76 175.81 3gzb s SER 4 N -3.49 3.43 -0.14 0.00 0.15 -1.26 -5.11 113.70 107.27 3gzb s SER 4 Ca 0.33 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.57 3gzb s SER 4 Cb 0.07 -1.05 0.00 0.00 -1.71 0.00 0.00 66.02 63.33 3gzb s SER 4 CO 0.14 0.24 -0.18 -0.22 1.20 0.00 0.00 173.24 174.42 3gzb s LEU 5 N -0.12 2.34 -0.10 3.45 2.96 -1.26 -5.10 118.68 120.85 3gzb s LEU 5 Ca -0.04 -0.51 -0.25 0.00 -0.22 0.00 0.00 54.13 53.11 3gzb s LEU 5 Cb -0.14 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 3gzb s LEU 5 CO 0.04 0.10 0.77 -0.69 -1.32 0.00 0.00 176.35 175.24 3gzb s VAL 6 N 0.74 4.97 0.01 1.68 1.01 -1.26 -5.06 120.40 122.49 3gzb s VAL 6 Ca -0.08 1.55 0.02 0.00 0.00 0.00 0.00 61.98 63.48 3gzb s VAL 6 Cb -0.16 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 3gzb s VAL 6 CO 0.01 0.15 -0.07 0.27 0.00 0.00 0.00 175.10 175.46 3gzb s ILE 7 N 1.37 0.54 0.30 2.22 -4.36 -1.26 -5.12 121.20 114.88 3gzb s ILE 7 Ca 0.39 -0.47 -0.29 0.00 -0.26 0.00 0.00 60.65 60.02 3gzb s ILE 7 Cb -0.17 -0.49 -0.10 0.00 1.25 0.00 0.00 42.46 42.94 3gzb s ILE 7 CO 0.17 0.03 1.38 -2.16 0.24 0.00 0.00 174.94 174.60 3gzb s PRO 8 N -0.48 4.30 0.48 0.37 0.04 -1.26 -4.90 135.00 133.55 3gzb s PRO 8 Ca 0.00 2.28 0.23 0.00 0.04 0.00 0.00 61.00 63.55 3gzb s PRO 8 Cb -0.04 -3.08 1.22 0.00 0.04 0.00 0.00 34.50 32.64 3gzb s PRO 8 CO -0.00 -0.32 1.99 0.28 0.04 0.00 0.00 177.00 178.99 3gzb h VAL 9 N 3.27 0.73 -0.23 -0.36 2.07 -2.00 -0.56 116.25 119.17 3gzb h VAL 9 Ca -0.48 -0.74 0.07 0.00 0.82 0.00 0.00 66.70 66.37 3gzb h VAL 9 Cb 1.22 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 3gzb h VAL 9 CO 0.71 0.18 0.21 0.77 0.02 0.00 0.00 177.57 179.46 3gzb h SER 10 N 0.00 0.00 0.47 0.57 4.64 -1.94 -0.88 113.55 116.41 3gzb h SER 10 Ca -0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 3gzb h SER 10 Cb 0.44 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 3gzb h SER 10 CO 0.02 0.00 -0.87 0.00 -0.87 0.00 0.00 176.83 175.12 3gzb h ALA 11 N 1.79 0.50 0.00 5.18 0.00 -1.47 -3.00 119.26 122.27 3gzb h ALA 11 Ca 0.11 -0.70 -0.08 0.00 0.00 0.00 0.00 54.91 54.24 3gzb h ALA 11 Cb 0.54 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3gzb h ALA 11 CO -0.00 0.86 -0.39 1.96 0.00 0.00 0.00 179.25 181.68 3gzb h GLN 12 N 0.16 0.00 0.00 0.00 4.20 -1.22 -2.87 115.11 115.38 3gzb h GLN 12 Ca -0.05 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 3gzb h GLN 12 Cb 1.48 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.26 3gzb h GLN 12 CO 0.14 0.39 -0.08 0.00 -0.67 0.00 0.00 178.83 178.60 3gzb h ALA 13 N 1.61 1.37 -0.11 3.87 0.00 -1.12 -1.89 119.26 122.99 3gzb h ALA 13 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3gzb h ALA 13 Cb 0.85 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3gzb h ALA 13 CO 0.05 0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.50 3gzb n ASN 14 N -3.72 1.15 0.30 0.00 3.02 -1.08 -4.26 115.26 110.66 3gzb n ASN 14 Ca -0.02 -1.60 0.18 0.00 -0.03 0.00 0.00 54.58 53.10 3gzb n ASN 14 Cb 0.19 -0.07 0.93 0.00 -0.61 0.00 0.00 39.78 40.22 3gzb n ASN 14 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3gzb h SER 15 N 1.55 0.00 0.00 6.41 4.64 -1.47 -3.46 113.55 121.22 3gzb h SER 15 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gzb h SER 15 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3gzb h SER 15 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 3gzb n GLY 16 N -0.73 1.51 3.06 -0.77 0.00 -1.26 -5.18 105.19 101.81 3gzb n GLY 16 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3gzb n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gzb s GLU 17 N -0.05 3.05 -0.00 1.61 2.02 -1.26 -5.14 118.70 118.92 3gzb s GLU 17 Ca 0.00 -3.27 0.02 0.00 0.02 0.00 0.00 54.97 51.74 3gzb s GLU 17 Cb 0.00 -3.81 -0.03 0.00 0.10 0.00 0.00 34.13 30.38 3gzb s GLU 17 CO 0.00 -1.27 -0.03 -2.14 0.02 0.00 0.00 175.26 171.85 3gzb s PRO 19 N -1.33 2.69 0.33 0.39 0.02 -1.26 -5.17 135.00 130.67 3gzb s PRO 19 Ca 0.26 -0.65 0.06 0.00 0.02 0.00 0.00 61.00 60.69 3gzb s PRO 19 Cb -0.07 -2.60 0.72 0.00 0.02 0.00 0.00 34.50 32.56 3gzb s PRO 19 CO -0.13 0.62 1.85 1.96 -0.33 0.00 0.00 177.00 180.97 3gzb h GLN 20 N 4.44 0.79 -0.53 5.54 1.08 -1.99 -1.31 115.11 123.13 3gzb h GLN 20 Ca -0.49 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 56.65 3gzb h GLN 20 Cb 1.17 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 28.40 3gzb h GLN 20 CO 0.56 0.52 0.25 0.93 -0.95 0.00 0.00 178.83 180.14 3gzb h GLU 21 N 0.81 0.76 -0.71 1.46 3.07 -1.99 -1.81 114.58 116.17 3gzb h GLU 21 Ca 0.47 -0.11 -0.06 0.00 -0.50 0.00 0.00 59.36 59.16 3gzb h GLU 21 Cb 0.64 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.38 3gzb h GLU 21 CO -0.23 0.63 0.22 1.96 -1.40 0.00 0.00 179.01 180.18 3gzb h GLN 22 N 0.71 1.10 -0.97 2.33 4.20 -1.68 -2.19 115.11 118.60 3gzb h GLN 22 Ca 0.18 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 58.66 3gzb h GLN 22 Cb 0.12 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 27.70 3gzb h GLN 22 CO -0.02 0.95 0.64 1.96 -0.67 0.00 0.00 178.83 181.68 3gzb h GLN 23 N 1.04 1.28 -0.47 1.46 4.20 -0.95 -0.55 115.11 121.13 3gzb h GLN 23 Ca 0.23 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.74 3gzb h GLN 23 Cb 0.31 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3gzb h GLN 23 CO -0.01 0.85 -0.14 1.25 -0.67 0.00 0.00 178.83 180.12 3gzb h LEU 24 N 1.32 0.94 -0.95 1.46 5.85 -1.16 -2.59 115.31 120.18 3gzb h LEU 24 Ca 0.35 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3gzb h LEU 24 Cb -0.14 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.58 3gzb h LEU 24 CO -0.08 1.10 0.63 0.00 -0.34 0.00 0.00 178.44 179.75 3gzb h ALA 25 N 0.87 1.24 -0.50 1.25 0.00 -0.90 -2.02 119.26 119.20 3gzb h ALA 25 Ca 0.12 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3gzb h ALA 25 Cb 0.70 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3gzb h ALA 25 CO 0.05 0.54 0.20 0.28 0.00 0.00 0.00 179.25 180.33 3gzb h VAL 26 N 1.24 1.21 -0.67 0.00 2.07 -0.83 -2.83 116.25 116.44 3gzb h VAL 26 Ca 0.37 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 67.24 3gzb h VAL 26 Cb -0.06 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3gzb h VAL 26 CO -0.10 0.25 0.44 0.11 0.02 0.00 0.00 177.57 178.29 3gzb h LYS 27 N 0.67 0.88 -0.06 1.57 1.57 -1.07 -0.26 116.57 119.86 3gzb h LYS 27 Ca 0.17 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3gzb h LYS 27 Cb 0.19 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3gzb h LYS 27 CO -0.01 0.58 0.00 0.98 -0.57 0.00 0.00 179.45 180.43 3gzb n TYR 28 N -4.62 0.00 0.00 -1.35 9.36 -0.80 -1.70 117.16 118.05 3gzb n TYR 28 Ca 0.06 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.28 3gzb n TYR 28 Cb 0.02 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 38.73 3gzb n TYR 28 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3gzb n ASP 30 N 0.40 0.00 -0.04 2.98 8.00 -0.11 -0.88 116.55 126.89 3gzb n ASP 30 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 3gzb n ASP 30 Cb 0.01 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.07 3gzb n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gzb h ALA 31 N 0.00 0.21 -0.08 2.24 0.00 -1.57 -2.29 119.26 117.76 3gzb h ALA 31 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3gzb h ALA 31 Cb 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3gzb h ALA 31 CO 0.00 -0.21 -0.15 1.25 0.00 0.00 0.00 179.25 180.14 3gzb h LEU 32 N 0.12 -0.47 -0.84 0.00 5.85 -1.28 0.06 115.31 118.76 3gzb h LEU 32 Ca 0.06 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3gzb h LEU 32 Cb 0.15 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.39 3gzb h LEU 32 CO -0.01 -0.20 0.00 0.71 -0.34 0.00 0.00 178.44 178.60 3gzb h THR 33 N -0.21 0.00 -0.01 1.05 1.35 -1.81 -2.10 112.91 111.19 3gzb h THR 33 Ca 0.08 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3gzb h THR 33 Cb 0.32 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 3gzb h THR 33 CO -0.21 0.00 -0.19 -0.62 -0.25 0.00 0.00 175.52 174.25 3gzb n GLU 34 N -2.99 1.05 -2.85 4.72 1.02 -0.87 -2.12 120.64 118.60 3gzb n GLU 34 Ca 0.02 -0.61 -0.21 0.00 -0.02 0.00 0.00 57.16 56.33 3gzb n GLU 34 Cb 0.38 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.34 3gzb n GLU 34 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3gzb n HIS 35 N -0.44 -1.69 -2.89 -0.32 8.25 -0.79 -4.89 115.22 112.45 3gzb n HIS 35 Ca 0.14 0.39 -0.44 0.00 -0.26 0.00 0.00 57.72 57.55 3gzb n HIS 35 Cb 0.35 -4.29 -0.00 0.00 1.12 0.00 0.00 29.99 27.16 3gzb n HIS 35 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3gzb s ASP 36 N -2.57 6.97 0.34 0.41 2.15 -0.05 -4.81 116.67 119.10 3gzb s ASP 36 Ca 0.23 -2.77 0.15 0.00 0.43 0.00 0.00 52.55 50.59 3gzb s ASP 36 Cb -0.10 -2.43 0.56 0.00 -0.30 0.00 0.00 42.92 40.65 3gzb s ASP 36 CO 0.28 -0.86 1.69 1.88 -0.17 0.00 0.00 175.17 178.00 3gzb h TYR 37 N 7.48 0.00 -0.67 -5.34 0.05 -1.91 -0.02 116.97 116.56 3gzb h TYR 37 Ca 0.31 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.08 3gzb h TYR 37 Cb 0.90 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.60 3gzb h TYR 37 CO 1.16 0.47 0.38 -0.22 -1.05 0.00 0.00 178.16 178.90 3gzb h LYS 38 N 0.00 0.93 -0.09 4.88 3.64 -1.98 -1.11 116.57 122.84 3gzb h LYS 38 Ca -0.00 -0.10 -0.15 0.00 -1.27 0.00 0.00 60.65 59.13 3gzb h LYS 38 Cb 0.95 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.60 3gzb h LYS 38 CO 0.06 0.69 -0.52 1.15 -2.27 0.00 0.00 179.45 178.56 3gzb h THR 39 N 0.92 1.37 -0.68 1.00 2.02 -1.89 -3.33 112.91 112.32 3gzb h THR 39 Ca 0.24 -1.86 0.01 0.00 0.77 0.00 0.00 66.41 65.57 3gzb h THR 39 Cb 0.02 2.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.64 3gzb h THR 39 CO -0.04 0.56 0.44 0.25 0.37 0.00 0.00 175.52 177.10 3gzb h LEU 40 N 0.09 0.75 -2.21 2.58 5.85 -0.76 -1.90 115.31 119.70 3gzb h LEU 40 Ca -0.04 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3gzb h LEU 40 Cb 1.17 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 3gzb h LEU 40 CO 0.11 0.53 -0.06 -0.29 -0.34 0.00 0.00 178.44 178.39 3gzb h ILE 41 N 0.89 0.36 0.00 4.05 2.10 -1.31 -0.92 117.51 122.67 3gzb h ILE 41 Ca 0.26 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 65.89 3gzb h ILE 41 Cb -0.06 1.22 0.00 0.00 -1.09 0.00 0.00 36.82 36.89 3gzb h ILE 41 CO -0.07 0.05 0.00 0.71 -1.08 0.00 0.00 178.15 177.76 3gzb h THR 42 N 0.00 0.00 -0.01 2.19 1.35 -1.47 -1.17 112.91 113.80 3gzb h THR 42 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 3gzb h THR 42 Cb 0.22 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 3gzb h THR 42 CO 0.01 0.00 -0.11 0.49 -0.25 0.00 0.00 175.52 175.66 3gzb n PHE 43 N -2.99 0.00 -4.41 4.73 3.01 -0.35 -4.82 117.46 112.63 3gzb n PHE 43 Ca -0.02 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.17 3gzb n PHE 43 Cb 0.15 -0.09 -0.12 0.00 -0.01 0.00 0.00 39.48 39.41 3gzb n PHE 43 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 3gzb s TYR 44 N -2.30 2.33 0.11 1.38 2.02 -0.44 -0.22 117.35 120.23 3gzb s TYR 44 Ca 0.32 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.68 3gzb s TYR 44 Cb 0.20 -1.16 -0.00 0.00 -0.40 0.00 0.00 41.96 40.60 3gzb s TYR 44 CO 0.44 0.49 0.04 0.27 -1.57 0.00 0.00 175.55 175.21 3gzb n ASN 45 N 0.31 1.10 0.15 2.29 6.94 -1.26 -4.88 115.26 119.91 3gzb n ASN 45 Ca -0.13 -1.57 0.11 0.00 -0.02 0.00 0.00 54.58 52.97 3gzb n ASN 45 Cb 0.56 0.26 0.54 0.00 -2.36 0.00 0.00 39.78 38.78 3gzb n ASN 45 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 3gzb n ARG 46 N -0.25 0.16 0.00 -3.83 1.85 -1.26 -1.45 116.66 111.88 3gzb n ARG 46 Ca -0.02 0.54 0.11 0.00 -1.00 0.00 0.00 57.85 57.48 3gzb n ARG 46 Cb 0.16 -1.92 -0.04 0.00 -1.05 0.00 0.00 32.46 29.62 3gzb n ARG 46 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3gzb n ASP 47 N -2.24 1.54 -4.75 2.89 8.00 -1.26 -3.50 116.55 117.23 3gzb n ASP 47 Ca 0.00 -1.26 -0.37 0.00 0.71 0.00 0.00 54.79 53.87 3gzb n ASP 47 Cb 0.12 0.68 0.03 0.00 -0.02 0.00 0.00 41.12 41.93 3gzb n ASP 47 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3gzb s SER 48 N -2.71 5.33 -0.08 -2.24 0.01 -0.94 -4.63 113.70 108.44 3gzb s SER 48 Ca 0.14 2.54 0.05 0.00 1.31 0.00 0.00 55.95 59.99 3gzb s SER 48 Cb 0.17 -2.62 -0.00 0.00 0.21 0.00 0.00 66.02 63.78 3gzb s SER 48 CO 0.70 -1.51 -0.23 -0.63 0.41 0.00 0.00 173.24 171.98 3gzb s ILE 49 N -1.45 1.96 -0.24 1.44 1.01 -0.56 -0.44 121.20 122.92 3gzb s ILE 49 Ca 0.73 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 60.38 3gzb s ILE 49 Cb -0.35 -1.68 0.03 0.00 0.01 0.00 0.00 42.46 40.47 3gzb s ILE 49 CO 0.39 0.54 -0.08 0.12 0.00 0.00 0.00 174.94 175.92 3gzb s PHE 50 N 0.12 3.04 -0.28 3.97 5.36 -0.36 -0.39 117.98 129.44 3gzb s PHE 50 Ca -0.11 -1.58 0.01 0.00 -0.96 0.00 0.00 56.93 54.29 3gzb s PHE 50 Cb -0.16 -2.04 0.08 0.00 -0.34 0.00 0.00 43.02 40.57 3gzb s PHE 50 CO 0.06 -0.74 0.01 0.12 -1.46 0.00 0.00 175.22 173.22 3gzb s PHE 51 N 1.32 2.45 -0.71 10.12 2.19 0.45 -0.34 117.98 133.45 3gzb s PHE 51 Ca 0.00 -1.98 -0.24 0.00 0.33 0.00 0.00 56.93 55.04 3gzb s PHE 51 Cb -0.16 -1.89 0.06 0.00 -1.31 0.00 0.00 43.02 39.72 3gzb s PHE 51 CO -0.05 -0.83 1.09 0.34 1.83 0.00 0.00 175.22 177.59 3gzb s ASP 52 N 1.37 6.20 0.24 6.13 -1.08 -0.46 -1.17 116.67 127.90 3gzb s ASP 52 Ca 0.02 -0.87 0.01 0.00 -0.52 0.00 0.00 52.55 51.19 3gzb s ASP 52 Cb -0.18 -2.47 0.27 0.00 -1.46 0.00 0.00 42.92 39.08 3gzb s ASP 52 CO -0.12 -1.56 1.62 0.11 0.52 0.00 0.00 175.17 175.74 3gzb h LYS 53 N 9.70 0.47 -0.19 4.34 1.57 -1.51 -0.69 116.57 130.26 3gzb h LYS 53 Ca -0.25 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.24 3gzb h LYS 53 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3gzb h LYS 53 CO 1.22 0.80 -0.10 1.79 -0.57 0.00 0.00 179.45 182.60 3gzb h THR 54 N 0.39 1.18 -0.00 -0.16 1.35 -1.90 -2.67 112.91 111.09 3gzb h THR 54 Ca 0.03 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 3gzb h THR 54 Cb 0.89 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 3gzb h THR 54 CO 0.08 0.24 -0.50 0.00 -0.25 0.00 0.00 175.52 175.08 3gzb n ALA 55 N -2.49 3.61 -3.74 6.62 0.00 -1.10 -4.98 120.51 118.43 3gzb n ALA 55 Ca -0.00 -0.45 -0.27 0.00 0.00 0.00 0.00 53.44 52.71 3gzb n ALA 55 Cb 0.26 -1.02 0.03 0.00 0.00 0.00 0.00 19.45 18.72 3gzb n ALA 55 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gzb n ASN 56 N -1.00 -3.25 -3.82 0.00 5.15 -0.35 -5.01 115.26 106.98 3gzb n ASN 56 Ca 0.08 -0.96 -0.29 0.00 -0.60 0.00 0.00 54.58 52.81 3gzb n ASN 56 Cb 0.36 -3.51 -0.16 0.00 -0.53 0.00 0.00 39.78 35.94 3gzb n ASN 56 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3gzb s ARG 57 N -6.06 1.07 -0.23 1.20 1.81 -0.71 -5.04 118.95 110.99 3gzb s ARG 57 Ca 0.26 -0.62 -0.01 0.00 -1.72 0.00 0.00 55.73 53.64 3gzb s ARG 57 Cb -0.09 -2.24 0.02 0.00 -0.45 0.00 0.00 34.95 32.19 3gzb s ARG 57 CO 0.85 -0.60 -0.09 0.21 -0.68 0.00 0.00 175.30 174.99 3gzb s LYS 58 N 1.67 2.88 -0.14 3.54 2.20 -1.26 -1.36 119.74 127.28 3gzb s LYS 58 Ca -0.02 -0.94 -0.07 0.00 -0.36 0.00 0.00 55.97 54.58 3gzb s LYS 58 Cb -0.17 -2.89 -0.04 0.00 -1.51 0.00 0.00 37.83 33.21 3gzb s LYS 58 CO -0.07 -0.35 0.12 0.71 -0.36 0.00 0.00 175.35 175.39 3gzb s TYR 59 N 1.32 3.48 -0.12 4.03 1.51 0.53 -4.99 117.35 123.12 3gzb s TYR 59 Ca 0.01 0.41 0.02 0.00 -1.01 0.00 0.00 57.07 56.50 3gzb s TYR 59 Cb -0.16 -1.97 0.01 0.00 -0.11 0.00 0.00 41.96 39.73 3gzb s TYR 59 CO -0.06 0.57 -0.17 0.99 -1.11 0.00 0.00 175.55 175.78 3gzb s THR 60 N -0.64 1.62 0.00 -0.71 2.01 -1.26 -1.22 115.64 115.44 3gzb s THR 60 Ca 0.12 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.41 3gzb s THR 60 Cb -0.12 -1.46 0.00 0.00 0.01 0.00 0.00 72.50 70.93 3gzb s THR 60 CO 0.02 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.03 3gzb n GLY 61 N 4.17 2.87 0.37 4.40 0.00 0.42 -4.73 105.19 112.69 3gzb n GLY 61 Ca -0.19 -1.24 0.09 0.00 0.00 0.00 0.00 46.02 44.68 3gzb n GLY 61 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gzb h GLY 62 N 0.00 1.35 1.30 -0.02 0.00 -1.47 -0.72 103.07 103.51 3gzb h GLY 62 Ca 0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 47.33 46.85 3gzb h GLY 62 CO 0.00 0.14 -0.28 3.21 0.00 0.00 0.00 176.54 179.60 3gzb h ARG 63 N 0.82 0.80 -0.52 4.80 3.08 -1.92 -0.58 114.38 120.86 3gzb h ARG 63 Ca 0.45 -0.35 -0.11 0.00 0.07 0.00 0.00 59.98 60.04 3gzb h ARG 63 Cb 0.58 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 3gzb h ARG 63 CO -0.22 0.98 -0.12 0.74 -1.07 0.00 0.00 179.97 180.28 3gzb h PHE 64 N 0.68 1.09 0.09 3.04 0.04 -1.56 -2.09 116.94 118.23 3gzb h PHE 64 Ca 0.08 -0.23 -0.00 0.00 2.80 0.00 0.00 57.97 60.62 3gzb h PHE 64 Cb 0.81 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.70 3gzb h PHE 64 CO 0.04 1.03 -0.04 0.82 -0.60 0.00 0.00 178.31 179.56 3gzb h ILE 65 N 0.87 0.96 -0.66 -0.55 2.04 -0.96 -2.20 117.51 117.01 3gzb h ILE 65 Ca 0.13 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3gzb h ILE 65 Cb 0.68 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 3gzb h ILE 65 CO 0.05 0.04 0.43 0.40 0.00 0.00 0.00 178.15 179.07 3gzb h ILE 66 N -0.20 1.17 -0.69 -0.67 1.08 -1.10 0.39 117.51 117.50 3gzb h ILE 66 Ca -0.01 -0.33 -0.03 0.00 -0.39 0.00 0.00 64.86 64.10 3gzb h ILE 66 Cb 0.16 0.21 -0.03 0.00 -3.07 0.00 0.00 36.82 34.09 3gzb h ILE 66 CO 0.02 0.17 0.31 -0.78 -0.69 0.00 0.00 178.15 177.18 3gzb h ASP 67 N 0.90 0.92 -0.39 1.72 3.58 -1.33 -0.32 116.42 121.49 3gzb h ASP 67 Ca 0.24 -0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 3gzb h ASP 67 Cb -0.09 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.70 3gzb h ASP 67 CO -0.05 0.81 0.24 0.15 -2.88 0.00 0.00 179.24 177.51 3gzb h PHE 68 N 0.96 0.51 -0.27 0.28 3.57 -0.98 -1.75 116.94 119.26 3gzb h PHE 68 Ca 0.23 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 3gzb h PHE 68 Cb 0.15 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 3gzb h PHE 68 CO 0.01 0.35 0.04 -0.07 -2.23 0.00 0.00 178.31 176.41 3gzb h LEU 69 N 0.52 0.43 -0.55 0.59 3.38 -0.71 -0.50 115.31 118.47 3gzb h LEU 69 Ca 0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3gzb h LEU 69 Cb -0.02 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3gzb h LEU 69 CO -0.03 0.59 0.29 -0.08 0.09 0.00 0.00 178.44 179.30 3gzb h GLU 70 N 0.27 0.78 -0.45 1.13 4.81 -0.94 -1.49 114.58 118.69 3gzb h GLU 70 Ca 0.08 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 3gzb h GLU 70 Cb 0.34 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3gzb h GLU 70 CO 0.01 0.62 -0.03 0.00 -0.73 0.00 0.00 179.01 178.87 3gzb h ARG 71 N 0.74 0.81 -0.19 1.92 3.08 -1.24 -2.73 114.38 116.77 3gzb h ARG 71 Ca 0.19 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3gzb h ARG 71 Cb 0.07 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3gzb h ARG 71 CO -0.03 0.88 0.01 0.00 -1.07 0.00 0.00 179.97 179.76 3gzb h ALA 72 N 0.90 1.66 -0.69 0.04 0.00 -0.75 -2.87 119.26 117.56 3gzb h ALA 72 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gzb h ALA 72 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3gzb h ALA 72 CO 0.03 0.26 0.00 0.72 0.00 0.00 0.00 179.25 180.26 3gzb n HIS 73 N -4.39 1.15 -1.68 0.00 8.25 -0.59 -4.94 115.22 113.03 3gzb n HIS 73 Ca -0.00 -0.54 -0.52 0.00 -0.26 0.00 0.00 57.72 56.39 3gzb n HIS 73 Cb 0.17 -0.09 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 3gzb n HIS 73 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3gzb n GLN 74 N 1.40 1.62 -0.44 -0.41 7.27 -1.04 -0.98 117.38 124.80 3gzb n GLN 74 Ca 0.25 0.59 0.00 0.00 0.07 0.00 0.00 57.00 57.91 3gzb n GLN 74 Cb 0.72 -2.33 0.00 0.00 2.41 0.00 0.00 30.24 31.04 3gzb n GLN 74 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3gzb n GLY 75 N 3.93 1.81 3.71 1.69 0.00 -1.26 -4.80 105.19 110.27 3gzb n GLY 75 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 3gzb n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gzb s VAL 76 N -3.32 5.01 0.79 1.61 1.01 -0.15 -4.61 120.40 120.74 3gzb s VAL 76 Ca 0.00 1.55 -0.12 0.00 0.00 0.00 0.00 61.98 63.41 3gzb s VAL 76 Cb 0.00 -4.09 0.07 0.00 0.00 0.00 0.00 36.38 32.36 3gzb s VAL 76 CO 0.00 0.22 1.13 -0.76 0.00 0.00 0.00 175.10 175.69 3gzb s LEU 77 N 0.93 2.56 0.22 3.92 1.43 -1.26 -4.96 118.68 121.52 3gzb s LEU 77 Ca 0.40 1.05 -0.30 0.00 -1.03 0.00 0.00 54.13 54.24 3gzb s LEU 77 Cb -0.18 -3.64 -0.15 0.00 0.03 0.00 0.00 46.19 42.25 3gzb s LEU 77 CO 0.19 -1.86 1.01 1.21 0.23 0.00 0.00 176.35 177.13 3gzb n GLU 78 N -3.33 1.06 -4.55 1.70 2.13 -1.26 -4.93 120.64 111.45 3gzb n GLU 78 Ca 0.07 0.37 -0.26 0.00 0.66 0.00 0.00 57.16 58.00 3gzb n GLU 78 Cb 0.58 -1.75 -0.11 0.00 0.27 0.00 0.00 31.44 30.44 3gzb n GLU 78 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 3gzb s TYR 79 N -0.66 2.40 0.08 4.31 1.13 -0.90 -4.72 117.35 118.99 3gzb s TYR 79 Ca 0.66 -0.53 0.08 0.00 -1.41 0.00 0.00 57.07 55.88 3gzb s TYR 79 Cb -0.81 -1.42 -0.04 0.00 -1.10 0.00 0.00 41.96 38.59 3gzb s TYR 79 CO 0.56 0.55 -0.19 -0.51 -2.51 0.00 0.00 175.55 173.45 3gzb s ASP 80 N -3.61 3.76 -0.36 -0.18 1.01 -0.63 -4.65 116.67 112.00 3gzb s ASP 80 Ca 0.33 -0.52 -0.05 0.00 0.71 0.00 0.00 52.55 53.02 3gzb s ASP 80 Cb 0.03 -0.53 0.07 0.00 1.01 0.00 0.00 42.92 43.50 3gzb s ASP 80 CO 0.16 0.22 0.13 0.12 0.21 0.00 0.00 175.17 176.01 3gzb s PHE 81 N -1.02 3.35 -0.54 4.23 5.36 -1.26 -0.76 117.98 127.34 3gzb s PHE 81 Ca 0.16 -1.80 -0.17 0.00 -0.96 0.00 0.00 56.93 54.16 3gzb s PHE 81 Cb -0.10 -2.58 0.10 0.00 -0.34 0.00 0.00 43.02 40.10 3gzb s PHE 81 CO 0.07 -0.83 0.56 -0.80 -1.46 0.00 0.00 175.22 172.76 3gzb s ASN 82 N 1.59 6.18 0.12 6.13 0.01 0.06 -4.96 114.94 124.07 3gzb s ASN 82 Ca 0.01 -1.47 -0.21 0.00 -0.71 0.00 0.00 52.86 50.47 3gzb s ASN 82 Cb -0.21 -2.24 -0.07 0.00 0.41 0.00 0.00 41.25 39.14 3gzb s ASN 82 CO -0.00 -0.90 0.65 0.27 -1.51 0.00 0.00 177.10 175.62 3gzb s ILE 83 N 2.07 4.59 -0.09 0.60 -4.36 -1.26 -1.24 121.20 121.51 3gzb s ILE 83 Ca 0.07 1.40 0.03 0.00 -0.26 0.00 0.00 60.65 61.89 3gzb s ILE 83 Cb -0.26 -3.98 -0.24 0.00 1.25 0.00 0.00 42.46 39.22 3gzb s ILE 83 CO 0.06 0.52 0.47 -0.62 0.24 0.00 0.00 174.94 175.61 3gzb n GLU 84 N 1.61 0.70 -3.25 0.37 -0.58 0.98 -4.95 120.64 115.51 3gzb n GLU 84 Ca -0.08 0.27 -0.08 0.00 -0.42 0.00 0.00 57.16 56.85 3gzb n GLU 84 Cb 0.50 -1.74 0.02 0.00 -0.57 0.00 0.00 31.44 29.65 3gzb n GLU 84 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 3gzb n HIS 85 N -3.26 -2.03 0.00 -0.32 -0.00 -0.97 -5.03 115.22 103.61 3gzb n HIS 85 Ca -0.26 -1.53 0.00 0.00 0.46 0.00 0.00 57.72 56.39 3gzb n HIS 85 Cb 1.05 0.72 0.00 0.00 -0.12 0.00 0.00 29.99 31.64 3gzb n HIS 85 CO 0.00 0.00 0.00 2.48 0.46 0.00 0.00 176.34 179.28 3gzb n TYR 87 N -0.43 0.00 -3.82 1.57 4.11 -0.57 -1.00 117.16 117.02 3gzb n TYR 87 Ca -0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.72 3gzb n TYR 87 Cb 0.48 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.73 3gzb n TYR 87 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 3gzb s ASN 88 N 0.00 -0.03 -0.36 9.48 4.22 -1.26 -0.43 114.94 126.55 3gzb s ASN 88 Ca 0.00 -0.23 0.03 0.00 -2.14 0.00 0.00 52.86 50.52 3gzb s ASN 88 Cb 0.00 0.29 0.11 0.00 1.28 0.00 0.00 41.25 42.93 3gzb s ASN 88 CO 0.00 -0.51 0.11 0.00 -2.04 0.00 0.00 177.10 174.65 3gzb s ALA 89 N -2.13 2.53 0.00 3.54 0.00 -0.08 -5.00 121.76 120.62 3gzb s ALA 89 Ca -0.08 -2.42 0.00 0.00 0.00 0.00 0.00 51.96 49.46 3gzb s ALA 89 Cb -0.03 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.19 3gzb s ALA 89 CO -0.01 -1.76 0.00 0.41 0.00 0.00 0.00 175.76 174.40 3gzb n GLY 90 N 4.19 3.46 0.38 0.00 0.00 -1.26 -1.59 105.19 110.37 3gzb n GLY 90 Ca 0.03 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.06 3gzb n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gzb n SER 91 N 4.57 1.11 -4.55 1.61 3.41 -1.26 -4.69 113.62 113.81 3gzb n SER 91 Ca 0.00 -1.91 -0.40 0.00 -0.26 0.00 0.00 58.87 56.30 3gzb n SER 91 Cb 0.00 -0.12 -0.10 0.00 -0.26 0.00 0.00 64.21 63.72 3gzb n SER 91 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3gzb s LEU 92 N -1.13 4.37 -0.15 1.04 2.96 -0.62 -0.93 118.68 124.22 3gzb s LEU 92 Ca 0.18 -0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 53.84 3gzb s LEU 92 Cb 0.09 -2.23 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 3gzb s LEU 92 CO 0.13 -0.24 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.17 3gzb s VAL 93 N 1.86 3.67 0.47 1.68 1.01 0.20 -0.90 120.40 128.39 3gzb s VAL 93 Ca 0.09 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.66 3gzb s VAL 93 Cb -0.17 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 3gzb s VAL 93 CO 0.11 0.50 0.01 -0.69 0.00 0.00 0.00 175.10 175.03 3gzb s VAL 94 N 0.32 1.47 -0.30 2.92 1.01 0.43 -0.85 120.40 125.41 3gzb s VAL 94 Ca -0.06 -2.00 -0.17 0.00 0.00 0.00 0.00 61.98 59.75 3gzb s VAL 94 Cb -0.15 -2.47 0.20 0.00 0.00 0.00 0.00 36.38 33.96 3gzb s VAL 94 CO 0.04 0.00 1.23 -0.63 0.00 0.00 0.00 175.10 175.74 3gzb s ILE 96 N -2.82 -0.07 0.00 2.22 1.01 -0.17 -1.51 121.20 119.87 3gzb s ILE 96 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.81 3gzb s ILE 96 Cb 0.05 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.52 3gzb s ILE 96 CO 0.09 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.64 3gzb n GLY 97 N 3.93 1.38 3.01 6.18 0.00 -0.54 -0.02 105.19 119.13 3gzb n GLY 97 Ca -0.12 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 3gzb n GLY 97 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gzb s ASN 98 N 2.00 1.37 -0.28 1.61 -0.87 -0.38 -1.03 114.94 117.36 3gzb s ASN 98 Ca 0.00 -0.22 -0.19 0.00 -1.57 0.00 0.00 52.86 50.89 3gzb s ASN 98 Cb 0.00 -0.44 -0.02 0.00 -0.02 0.00 0.00 41.25 40.77 3gzb s ASN 98 CO 0.00 0.06 0.57 -0.31 -2.57 0.00 0.00 177.10 174.84 3gzb s TYR 99 N 0.33 3.24 -0.29 2.20 2.02 0.12 -0.76 117.35 124.20 3gzb s TYR 99 Ca -0.06 0.60 -0.10 0.00 -0.37 0.00 0.00 57.07 57.14 3gzb s TYR 99 Cb -0.11 -2.84 -0.02 0.00 -0.40 0.00 0.00 41.96 38.59 3gzb s TYR 99 CO 0.01 -0.38 0.15 -1.58 -1.57 0.00 0.00 175.55 172.18 3gzb s HIS 100 N 2.44 3.17 -0.10 2.71 5.65 0.07 -0.35 115.29 128.88 3gzb s HIS 100 Ca 0.23 -0.39 0.02 0.00 0.25 0.00 0.00 55.06 55.17 3gzb s HIS 100 Cb -0.15 -2.34 -0.01 0.00 -1.18 0.00 0.00 32.58 28.89 3gzb s HIS 100 CO 0.10 -0.37 -0.16 -0.06 -0.65 0.00 0.00 174.74 173.60 3gzb s PHE 101 N 1.65 2.71 -0.03 3.88 0.40 -0.22 -1.61 117.98 124.76 3gzb s PHE 101 Ca 0.06 -0.60 0.00 0.00 -0.60 0.00 0.00 56.93 55.78 3gzb s PHE 101 Cb -0.16 -1.75 0.03 0.00 0.51 0.00 0.00 43.02 41.64 3gzb s PHE 101 CO 0.07 -0.16 0.01 0.21 0.70 0.00 0.00 175.22 176.05 3gzb s LYS 102 N 0.06 0.27 0.00 0.44 2.20 -1.26 -1.16 119.74 120.29 3gzb s LYS 102 Ca -0.07 0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.65 3gzb s LYS 102 Cb -0.15 -0.50 0.00 0.00 -1.51 0.00 0.00 37.83 35.67 3gzb s LYS 102 CO 0.05 -0.16 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 3gzb n GLY 103 N 4.30 -0.03 3.69 5.54 0.00 -0.58 -4.67 105.19 113.44 3gzb n GLY 103 Ca -0.24 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 3gzb n GLY 103 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gzb n PRO 104 N 0.00 1.92 -0.16 1.61 -0.02 -1.26 -0.78 135.00 136.31 3gzb n PRO 104 Ca 0.00 0.68 0.11 0.00 -2.02 0.00 0.00 63.50 62.27 3gzb n PRO 104 Cb 0.00 -2.32 0.27 0.00 -0.02 0.00 0.00 33.50 31.43 3gzb n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gzb n GLY 105 N 0.84 1.22 0.23 -1.23 0.00 0.20 -4.61 105.19 101.84 3gzb n GLY 105 Ca 0.06 -0.62 -0.00 0.00 0.00 0.00 0.00 46.02 45.47 3gzb n GLY 105 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gzb h GLU 106 N 3.59 0.04 0.00 1.61 3.07 -1.82 0.45 114.58 121.52 3gzb h GLU 106 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gzb h GLU 106 Cb 0.79 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 3gzb h GLU 106 CO 0.00 0.03 0.00 1.04 -1.40 0.00 0.00 179.01 178.68 3gzb n GLN 107 N -5.36 0.03 -0.46 2.33 1.13 -1.26 -2.38 117.38 111.40 3gzb n GLN 107 Ca 0.08 0.17 0.08 0.00 -1.94 0.00 0.00 57.00 55.39 3gzb n GLN 107 Cb 0.34 -1.54 0.29 0.00 0.11 0.00 0.00 30.24 29.43 3gzb n GLN 107 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 3gzb n PHE 108 N -1.59 1.10 -1.25 1.08 3.72 -0.02 -4.95 117.46 115.55 3gzb n PHE 108 Ca 0.05 -0.62 -0.04 0.00 -0.05 0.00 0.00 57.45 56.78 3gzb n PHE 108 Cb 0.25 -0.19 -0.02 0.00 -0.94 0.00 0.00 39.48 38.59 3gzb n PHE 108 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gzb n GLY 109 N 0.71 0.65 2.49 1.37 0.00 -1.00 -4.97 105.19 104.44 3gzb n GLY 109 Ca 0.21 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 3gzb n GLY 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gzb n LYS 110 N -2.69 2.02 -1.94 1.61 4.76 -0.21 -5.01 118.16 116.72 3gzb n LYS 110 Ca -0.04 -4.12 -0.40 0.00 -2.87 0.00 0.00 58.31 50.87 3gzb n LYS 110 Cb 0.19 -1.92 0.00 0.00 -1.84 0.00 0.00 35.03 31.47 3gzb n LYS 110 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3gzb s PRO 111 N -2.59 3.93 0.00 1.97 0.04 -1.26 -2.61 135.00 134.48 3gzb s PRO 111 Ca 0.42 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.78 3gzb s PRO 111 Cb 0.26 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 32.01 3gzb s PRO 111 CO -0.09 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.78 3gzb n GLY 112 N 0.62 1.27 3.63 0.56 0.00 -1.26 -4.94 105.19 105.07 3gzb n GLY 112 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 3gzb n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gzb s LYS 113 N -0.02 2.05 -0.19 1.61 1.02 -1.07 -5.01 119.74 118.13 3gzb s LYS 113 Ca 0.00 -1.82 -0.06 0.00 0.02 0.00 0.00 55.97 54.11 3gzb s LYS 113 Cb 0.00 -1.87 -0.03 0.00 -0.52 0.00 0.00 37.83 35.40 3gzb s LYS 113 CO 0.00 0.09 0.02 0.42 -0.92 0.00 0.00 175.35 174.96 3gzb s ILE 114 N -2.56 4.31 0.29 2.17 -1.09 -1.26 -0.63 121.20 122.43 3gzb s ILE 114 Ca 0.35 -0.20 0.08 0.00 -2.23 0.00 0.00 60.65 58.66 3gzb s ILE 114 Cb 0.02 -2.94 -0.04 0.00 -1.58 0.00 0.00 42.46 37.92 3gzb s ILE 114 CO 0.19 0.45 0.11 0.27 -1.23 0.00 0.00 174.94 174.73 3gzb s ILE 115 N 0.65 3.53 -0.23 2.92 -5.25 0.04 -4.90 121.20 117.97 3gzb s ILE 115 Ca 0.01 -1.69 -0.03 0.00 -0.99 0.00 0.00 60.65 57.95 3gzb s ILE 115 Cb -0.14 -3.04 0.12 0.00 2.95 0.00 0.00 42.46 42.35 3gzb s ILE 115 CO 0.02 -0.29 0.31 -0.62 -1.79 0.00 0.00 174.94 172.57 3gzb s ASP 116 N -3.79 0.74 0.06 4.36 -1.08 -1.26 -1.52 116.67 114.18 3gzb s ASP 116 Ca 0.35 0.01 0.04 0.00 -0.52 0.00 0.00 52.55 52.43 3gzb s ASP 116 Cb -0.05 0.80 -0.03 0.00 -1.46 0.00 0.00 42.92 42.18 3gzb s ASP 116 CO 0.22 -0.31 -0.12 0.68 0.52 0.00 0.00 175.17 176.16 3gzb s VAL 117 N 2.45 0.88 -0.23 1.11 -7.23 -0.31 -4.97 120.40 112.10 3gzb s VAL 117 Ca 0.10 -1.21 -0.01 0.00 -1.81 0.00 0.00 61.98 59.06 3gzb s VAL 117 Cb -0.16 -0.88 0.07 0.00 0.56 0.00 0.00 36.38 35.97 3gzb s VAL 117 CO -0.15 -0.28 0.00 0.00 -0.31 0.00 0.00 175.10 174.37 3gzb s ALA 118 N -1.30 1.57 -0.30 1.32 0.00 -1.26 -1.06 121.76 120.73 3gzb s ALA 118 Ca -0.05 -1.19 -0.05 0.00 0.00 0.00 0.00 51.96 50.66 3gzb s ALA 118 Cb -0.10 -1.38 0.03 0.00 0.00 0.00 0.00 23.12 21.66 3gzb s ALA 118 CO 0.02 -1.27 0.06 0.42 0.00 0.00 0.00 175.76 174.98 3gzb s ILE 119 N 1.58 3.61 0.44 0.00 1.01 0.53 -4.88 121.20 123.49 3gzb s ILE 119 Ca -0.01 -0.99 -0.25 0.00 0.00 0.00 0.00 60.65 59.39 3gzb s ILE 119 Cb -0.18 -2.95 -0.09 0.00 0.01 0.00 0.00 42.46 39.25 3gzb s ILE 119 CO -0.10 -0.02 1.37 -2.65 0.00 0.00 0.00 174.94 173.55 3gzb n PRO 120 N 4.79 2.14 -3.45 2.79 -0.02 -1.26 -0.71 135.00 139.28 3gzb n PRO 120 Ca -0.14 0.76 -0.14 0.00 -2.02 0.00 0.00 63.50 61.97 3gzb n PRO 120 Cb 0.46 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 3gzb n PRO 120 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gzb s ALA 121 N -1.19 -1.65 -0.10 3.55 0.00 -0.20 -1.16 121.76 121.00 3gzb s ALA 121 Ca 0.61 0.74 0.03 0.00 0.00 0.00 0.00 51.96 53.34 3gzb s ALA 121 Cb -0.47 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.27 3gzb s ALA 121 CO 0.58 -0.65 -0.21 0.08 0.00 0.00 0.00 175.76 175.56 3gzb s VAL 122 N -2.99 1.85 -0.07 0.00 1.01 -0.58 -1.47 120.40 118.15 3gzb s VAL 122 Ca -0.02 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.10 3gzb s VAL 122 Cb -0.01 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.76 3gzb s VAL 122 CO -0.06 0.51 -0.18 -0.89 0.00 0.00 0.00 175.10 174.48 3gzb s THR 123 N 0.50 1.57 0.07 3.92 2.01 -1.26 -0.84 115.64 121.61 3gzb s THR 123 Ca -0.16 -0.75 0.09 0.00 0.31 0.00 0.00 61.69 61.18 3gzb s THR 123 Cb -0.17 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 3gzb s THR 123 CO 0.06 0.45 -0.24 -0.94 -0.69 0.00 0.00 174.62 173.27 3gzb s SER 124 N 0.39 2.84 -0.09 3.53 1.04 -0.18 -4.47 113.70 116.77 3gzb s SER 124 Ca -0.14 -0.60 0.02 0.00 0.48 0.00 0.00 55.95 55.71 3gzb s SER 124 Cb -0.16 -0.22 0.01 0.00 0.10 0.00 0.00 66.02 65.75 3gzb s SER 124 CO 0.05 0.18 -0.15 -0.76 0.98 0.00 0.00 173.24 173.55 3gzb s LEU 125 N -1.44 1.70 -0.24 2.42 1.43 -0.03 -0.83 118.68 121.70 3gzb s LEU 125 Ca 0.10 -0.38 -0.13 0.00 -1.03 0.00 0.00 54.13 52.70 3gzb s LEU 125 Cb -0.10 -0.99 -0.05 0.00 0.03 0.00 0.00 46.19 45.09 3gzb s LEU 125 CO 0.03 0.04 0.26 -0.75 0.23 0.00 0.00 176.35 176.15 3gzb s LYS 126 N 0.78 4.07 0.01 1.70 2.47 0.22 -0.63 119.74 128.36 3gzb s LYS 126 Ca -0.12 -0.12 0.04 0.00 -1.56 0.00 0.00 55.97 54.22 3gzb s LYS 126 Cb -0.16 -3.58 -0.03 0.00 -1.46 0.00 0.00 37.83 32.60 3gzb s LYS 126 CO 0.02 -0.06 -0.10 -0.51 0.16 0.00 0.00 175.35 174.87 3gzb s LEU 127 N 1.40 3.02 0.39 5.43 1.43 -0.11 -0.78 118.68 129.47 3gzb s LEU 127 Ca 0.11 -0.21 0.08 0.00 -1.03 0.00 0.00 54.13 53.08 3gzb s LEU 127 Cb -0.15 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 3gzb s LEU 127 CO 0.07 0.28 0.47 -0.62 0.23 0.00 0.00 176.35 176.78 3gzb s ASP 128 N -1.38 5.55 0.00 2.29 -1.08 0.34 -4.81 116.67 117.59 3gzb s ASP 128 Ca 0.16 -0.44 0.00 0.00 -0.52 0.00 0.00 52.55 51.75 3gzb s ASP 128 Cb -0.11 -0.82 0.00 0.00 -1.46 0.00 0.00 42.92 40.53 3gzb s ASP 128 CO 0.07 -0.60 0.00 -0.11 0.52 0.00 0.00 175.17 175.04 3gzb n LEU 130 N -1.67 0.00 -1.04 -1.34 7.94 -1.26 -1.09 117.00 118.54 3gzb n LEU 130 Ca 0.04 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.06 3gzb n LEU 130 Cb 0.59 0.00 0.15 0.00 0.53 0.00 0.00 43.42 44.70 3gzb n LEU 130 CO 0.41 0.00 0.66 0.59 -1.11 0.00 0.00 177.39 177.94 3gzb n ASN 131 N 0.00 3.20 -3.68 1.96 3.02 -1.26 -4.98 115.26 113.52 3gzb n ASN 131 Ca 0.00 -1.99 -0.21 0.00 -0.03 0.00 0.00 54.58 52.34 3gzb n ASN 131 Cb 0.00 -0.11 0.04 0.00 -0.61 0.00 0.00 39.78 39.10 3gzb n ASN 131 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3gzb n ARG 132 N 1.41 -4.86 -4.16 3.52 5.12 -0.25 -4.99 116.66 112.46 3gzb n ARG 132 Ca 0.16 0.63 -0.17 0.00 -1.93 0.00 0.00 57.85 56.54 3gzb n ARG 132 Cb 0.60 -5.19 -0.12 0.00 -1.16 0.00 0.00 32.46 26.60 3gzb n ARG 132 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3gzb s ARG 133 N -5.93 0.79 -0.38 5.56 0.52 -0.80 -4.51 118.95 114.19 3gzb s ARG 133 Ca 0.02 -0.96 -0.21 0.00 -0.52 0.00 0.00 55.73 54.05 3gzb s ARG 133 Cb -0.00 -0.74 0.01 0.00 0.52 0.00 0.00 34.95 34.74 3gzb s ARG 133 CO 0.81 0.16 0.68 0.08 0.02 0.00 0.00 175.30 177.04 3gzb s VAL 134 N -1.42 4.82 0.05 3.52 1.01 0.69 -0.50 120.40 128.57 3gzb s VAL 134 Ca -0.02 0.52 0.04 0.00 0.00 0.00 0.00 61.98 62.51 3gzb s VAL 134 Cb -0.09 -4.15 -0.24 0.00 0.00 0.00 0.00 36.38 31.89 3gzb s VAL 134 CO 0.02 -0.44 1.04 0.71 0.00 0.00 0.00 175.10 176.43 3gzb h THR 135 N 5.76 1.38 -2.69 3.92 1.35 -1.24 -3.42 112.91 117.97 3gzb h THR 135 Ca -0.26 -3.07 -0.14 0.00 -0.55 0.00 0.00 66.41 62.38 3gzb h THR 135 Cb 1.10 2.76 -0.29 0.00 -1.73 0.00 0.00 68.15 70.00 3gzb h THR 135 CO 0.87 0.84 -0.41 -0.70 -0.25 0.00 0.00 175.52 175.87 3gzb s GLU 136 N -2.66 0.28 -0.26 4.72 2.12 -1.09 -1.50 118.70 120.32 3gzb s GLU 136 Ca -0.03 0.86 -0.06 0.00 0.36 0.00 0.00 54.97 56.09 3gzb s GLU 136 Cb 0.08 0.11 -0.01 0.00 0.26 0.00 0.00 34.13 34.58 3gzb s GLU 136 CO 0.84 -0.23 0.04 -1.58 -0.54 0.00 0.00 175.26 173.78 3gzb s HIS 137 N 2.17 3.07 -0.14 5.30 5.65 0.48 -0.61 115.29 131.21 3gzb s HIS 137 Ca -0.03 -0.82 0.01 0.00 0.25 0.00 0.00 55.06 54.47 3gzb s HIS 137 Cb -0.11 -2.20 -0.00 0.00 -1.18 0.00 0.00 32.58 29.09 3gzb s HIS 137 CO -0.11 -0.51 -0.18 0.08 -0.65 0.00 0.00 174.74 173.37 3gzb s VAL 138 N 1.52 2.49 -0.11 0.89 1.01 -0.01 -0.41 120.40 125.78 3gzb s VAL 138 Ca 0.05 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 3gzb s VAL 138 Cb -0.16 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 3gzb s VAL 138 CO 0.01 0.53 -0.05 -1.81 0.00 0.00 0.00 175.10 173.78 3gzb s ASP 139 N 0.63 4.71 -0.38 3.32 1.01 -0.31 -1.01 116.67 124.65 3gzb s ASP 139 Ca -0.09 -0.07 0.03 0.00 0.71 0.00 0.00 52.55 53.12 3gzb s ASP 139 Cb -0.16 -1.47 0.11 0.00 1.01 0.00 0.00 42.92 42.40 3gzb s ASP 139 CO 0.03 0.27 0.11 -0.76 0.21 0.00 0.00 175.17 175.03 3gzb s LEU 140 N -0.27 4.04 -0.14 1.23 1.43 -0.02 -1.40 118.68 123.55 3gzb s LEU 140 Ca 0.04 -2.26 -0.06 0.00 -1.03 0.00 0.00 54.13 50.82 3gzb s LEU 140 Cb -0.13 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 3gzb s LEU 140 CO 0.02 -0.35 0.07 -0.63 0.23 0.00 0.00 176.35 175.69 3gzb s ILE 141 N 0.76 4.86 -1.29 -0.59 -1.09 -1.26 -1.53 121.20 121.06 3gzb s ILE 141 Ca 0.12 -0.02 -0.14 0.00 -2.23 0.00 0.00 60.65 58.38 3gzb s ILE 141 Cb -0.20 -3.13 0.12 0.00 -1.58 0.00 0.00 42.46 37.66 3gzb s ILE 141 CO -0.09 0.54 1.74 -0.67 -1.23 0.00 0.00 174.94 175.23 3gzb n ASP 142 N 2.75 4.90 0.02 3.58 2.03 -0.31 -4.82 116.55 124.70 3gzb n ASP 142 Ca -0.18 -2.96 0.03 0.00 0.52 0.00 0.00 54.79 52.19 3gzb n ASP 142 Cb 0.53 -1.62 0.38 0.00 -0.72 0.00 0.00 41.12 39.69 3gzb n ASP 142 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 3gzb h TYR 143 N 6.83 0.48 -0.77 -0.67 0.05 -1.96 -2.91 116.97 118.02 3gzb h TYR 143 Ca 0.41 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 59.13 3gzb h TYR 143 Cb 0.79 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 38.34 3gzb h TYR 143 CO 1.29 0.39 0.30 0.37 -1.05 0.00 0.00 178.16 179.46 3gzb h GLN 144 N 0.49 1.16 -1.70 4.88 5.75 -2.00 0.28 115.11 123.97 3gzb h GLN 144 Ca 0.12 -0.22 0.00 0.00 -0.15 0.00 0.00 58.65 58.40 3gzb h GLN 144 Cb 0.12 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.48 3gzb h GLN 144 CO -0.01 0.95 0.00 2.41 -2.65 0.00 0.00 178.83 179.53 3gzb n THR 145 N -4.29 0.21 0.00 2.39 -1.04 -1.10 -0.82 114.28 109.63 3gzb n THR 145 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 3gzb n THR 145 Cb 0.19 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 3gzb n THR 145 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3gzb n SER 147 N 0.86 0.00 -0.25 8.00 2.88 0.08 -1.89 113.62 123.31 3gzb n SER 147 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 3gzb n SER 147 Cb 0.11 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.63 3gzb n SER 147 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3gzb h ASP 148 N 0.00 0.77 -0.53 -3.46 3.32 -1.24 -0.63 116.42 114.65 3gzb h ASP 148 Ca 0.00 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 3gzb h ASP 148 Cb 0.00 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 3gzb h ASP 148 CO 0.00 0.55 -0.05 1.56 -1.72 0.00 0.00 179.24 179.58 3gzb h GLN 149 N 0.91 0.97 0.00 3.56 4.20 -1.65 -3.04 115.11 120.06 3gzb h GLN 149 Ca 0.26 -0.33 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 3gzb h GLN 149 Cb -0.06 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 3gzb h GLN 149 CO -0.07 1.00 -0.34 -0.07 -0.67 0.00 0.00 178.83 178.67 3gzb h LEU 150 N 0.84 0.00 -3.74 1.46 3.38 -1.74 -3.29 115.31 112.22 3gzb h LEU 150 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3gzb h LEU 150 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3gzb h LEU 150 CO 0.04 0.34 0.00 0.00 0.09 0.00 0.00 178.44 178.91 3gzb n ALA 151 N -2.41 2.00 0.00 1.53 0.00 -0.28 -5.09 120.51 116.26 3gzb n ALA 151 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3gzb n ALA 151 Cb 0.41 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3gzb n ALA 151 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54