#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 -4.49 1.61 3.72 -1.26 -5.30 117.46 111.74 3gzb n PHE 2 Ca 0.00 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.16 3gzb n PHE 2 Cb 0.00 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.44 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 -1.99 2.66 -0.08 4.37 0.00 -1.26 -5.15 121.76 120.31 3gzb s ALA 3 Ca 0.00 -2.03 0.04 0.00 0.00 0.00 0.00 51.96 49.97 3gzb s ALA 3 Cb 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 3gzb s ALA 3 CO 0.00 -0.04 -0.22 -1.54 0.00 0.00 0.00 175.76 173.97 3gzb s SER 4 N -3.54 3.32 -0.11 0.00 1.04 -1.26 -5.12 113.70 108.03 3gzb s SER 4 Ca 0.32 -0.46 0.03 0.00 0.48 0.00 0.00 55.95 56.31 3gzb s SER 4 Cb 0.04 -1.13 0.00 0.00 0.10 0.00 0.00 66.02 65.03 3gzb s SER 4 CO 0.15 0.22 -0.22 -0.76 0.98 0.00 0.00 173.24 173.60 3gzb s LEU 5 N 0.01 2.17 -0.14 2.42 1.43 -1.26 -5.11 118.68 118.21 3gzb s LEU 5 Ca -0.08 -0.54 -0.22 0.00 -1.03 0.00 0.00 54.13 52.26 3gzb s LEU 5 Cb -0.15 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 3gzb s LEU 5 CO 0.05 0.14 0.66 -0.69 0.23 0.00 0.00 176.35 176.74 3gzb s VAL 6 N 0.47 5.04 0.00 -1.59 1.01 -1.26 -5.05 120.40 119.01 3gzb s VAL 6 Ca -0.15 1.29 0.03 0.00 0.00 0.00 0.00 61.98 63.16 3gzb s VAL 6 Cb -0.17 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 3gzb s VAL 6 CO 0.06 0.18 -0.11 0.27 0.00 0.00 0.00 175.10 175.50 3gzb s ILE 7 N 1.38 0.85 0.31 2.22 -4.36 -1.26 -5.12 121.20 115.22 3gzb s ILE 7 Ca 0.32 -0.57 -0.29 0.00 -0.26 0.00 0.00 60.65 59.85 3gzb s ILE 7 Cb -0.16 -0.73 -0.10 0.00 1.25 0.00 0.00 42.46 42.71 3gzb s ILE 7 CO 0.13 0.16 1.40 -2.16 0.24 0.00 0.00 174.94 174.71 3gzb s PRO 8 N -0.47 4.27 0.51 0.37 0.04 -1.26 -4.89 135.00 133.57 3gzb s PRO 8 Ca 0.03 2.32 0.26 0.00 0.04 0.00 0.00 61.00 63.64 3gzb s PRO 8 Cb -0.05 -3.07 1.35 0.00 0.04 0.00 0.00 34.50 32.77 3gzb s PRO 8 CO -0.00 -0.35 2.04 0.28 0.04 0.00 0.00 177.00 179.01 3gzb h VAL 9 N 3.23 0.64 -0.25 -0.36 2.07 -1.99 -1.27 116.25 118.31 3gzb h VAL 9 Ca -0.48 -0.61 0.07 0.00 0.82 0.00 0.00 66.70 66.50 3gzb h VAL 9 Cb 1.22 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 3gzb h VAL 9 CO 0.70 0.14 0.18 0.77 0.02 0.00 0.00 177.57 179.38 3gzb h SER 10 N 0.00 0.01 -0.28 0.57 4.64 -1.94 -0.56 113.55 115.99 3gzb h SER 10 Ca -0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.15 3gzb h SER 10 Cb 0.37 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3gzb h SER 10 CO 0.02 0.00 -0.46 0.00 -0.87 0.00 0.00 176.83 175.52 3gzb h ALA 11 N 1.88 0.44 0.00 5.18 0.00 -1.60 -3.10 119.26 122.06 3gzb h ALA 11 Ca 0.12 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3gzb h ALA 11 Cb 0.46 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3gzb h ALA 11 CO -0.00 0.59 -0.16 1.96 0.00 0.00 0.00 179.25 181.64 3gzb h GLN 12 N 0.58 0.00 0.00 0.00 4.20 -1.16 -2.74 115.11 115.99 3gzb h GLN 12 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3gzb h GLN 12 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 3gzb h GLN 12 CO 0.11 0.16 0.00 0.00 -0.67 0.00 0.00 178.83 178.42 3gzb h ALA 13 N 1.84 1.00 -0.64 3.87 0.00 -1.12 -1.94 119.26 122.27 3gzb h ALA 13 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gzb h ALA 13 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3gzb h ALA 13 CO 0.02 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.36 3gzb n ASN 14 N -2.87 5.09 0.31 0.00 3.02 -1.03 -4.47 115.26 115.30 3gzb n ASN 14 Ca -0.01 -2.58 0.18 0.00 -0.03 0.00 0.00 54.58 52.14 3gzb n ASN 14 Cb 0.15 -0.62 0.98 0.00 -0.61 0.00 0.00 39.78 39.68 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 4.14 0.00 0.00 6.41 4.64 -1.51 -3.45 113.55 123.78 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 1.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 3gzb h SER 15 CO 0.31 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 3gzb n GLY 16 N -0.88 1.07 2.94 -0.77 0.00 -1.26 -5.19 105.19 101.10 3gzb n GLY 16 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.55 2.23 0.02 1.61 2.02 -1.26 -5.17 118.70 117.60 3gzb s GLU 17 Ca 0.00 -2.92 0.04 0.00 0.02 0.00 0.00 54.97 52.11 3gzb s GLU 17 Cb 0.00 -3.40 -0.03 0.00 0.10 0.00 0.00 34.13 30.80 3gzb s GLU 17 CO 0.00 -1.19 -0.09 -2.14 0.02 0.00 0.00 175.26 171.86 3gzb s PRO 19 N -0.77 2.43 0.37 0.39 0.02 -1.26 -5.17 135.00 131.01 3gzb s PRO 19 Ca 0.20 -0.79 0.09 0.00 0.02 0.00 0.00 61.00 60.53 3gzb s PRO 19 Cb -0.17 -2.43 0.84 0.00 0.02 0.00 0.00 34.50 32.76 3gzb s PRO 19 CO -0.07 0.58 1.90 1.96 -0.33 0.00 0.00 177.00 181.05 3gzb h GLN 20 N 4.49 0.64 -0.54 5.54 1.08 -1.99 -1.48 115.11 122.86 3gzb h GLN 20 Ca -0.48 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 56.71 3gzb h GLN 20 Cb 1.16 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 28.41 3gzb h GLN 20 CO 0.52 0.43 0.32 0.93 -0.95 0.00 0.00 178.83 180.08 3gzb h GLU 21 N 0.66 0.61 -0.42 1.46 3.07 -1.99 -0.30 114.58 117.67 3gzb h GLU 21 Ca 0.39 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.18 3gzb h GLU 21 Cb 0.61 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 3gzb h GLU 21 CO -0.16 0.40 0.11 1.96 -1.40 0.00 0.00 179.01 179.92 3gzb h GLN 22 N 0.62 0.66 -0.90 2.33 4.20 -1.71 -2.12 115.11 118.18 3gzb h GLN 22 Ca 0.22 -0.15 0.04 0.00 0.06 0.00 0.00 58.65 58.82 3gzb h GLN 22 Cb 0.05 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.69 3gzb h GLN 22 CO -0.11 0.67 0.58 1.96 -0.67 0.00 0.00 178.83 181.26 3gzb h GLN 23 N 0.53 1.09 -0.46 1.46 4.20 -0.84 -1.22 115.11 119.87 3gzb h GLN 23 Ca 0.13 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 3gzb h GLN 23 Cb 0.29 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3gzb h GLN 23 CO -0.00 0.72 0.18 1.25 -0.67 0.00 0.00 178.83 180.31 3gzb h LEU 24 N 1.13 0.64 -0.91 1.46 5.85 -0.98 -2.51 115.31 119.99 3gzb h LEU 24 Ca 0.36 -0.17 0.10 0.00 0.84 0.00 0.00 57.88 59.01 3gzb h LEU 24 Cb 0.02 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 40.81 3gzb h LEU 24 CO -0.12 0.64 0.55 0.00 -0.34 0.00 0.00 178.44 179.16 3gzb h ALA 25 N 1.03 1.32 -0.52 1.25 0.00 -0.88 -1.52 119.26 119.94 3gzb h ALA 25 Ca 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3gzb h ALA 25 Cb 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3gzb h ALA 25 CO -0.01 0.18 0.29 0.28 0.00 0.00 0.00 179.25 179.99 3gzb h VAL 26 N 0.90 1.17 -0.79 0.00 2.07 -0.89 -2.78 116.25 115.94 3gzb h VAL 26 Ca 0.44 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 3gzb h VAL 26 Cb 0.39 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 3gzb h VAL 26 CO -0.25 0.18 0.42 0.11 0.02 0.00 0.00 177.57 178.06 3gzb h LYS 27 N 0.70 1.10 -0.07 1.57 1.57 -1.01 0.24 116.57 120.67 3gzb h LYS 27 Ca 0.18 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3gzb h LYS 27 Cb 0.04 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.13 3gzb h LYS 27 CO -0.03 0.82 0.00 0.98 -0.57 0.00 0.00 179.45 180.65 3gzb n TYR 28 N -4.42 0.00 0.00 -1.35 9.36 -0.62 -1.79 117.16 118.35 3gzb n TYR 28 Ca 0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.29 3gzb n TYR 28 Cb 0.10 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 38.80 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 0.29 0.00 -0.10 2.98 8.00 0.07 -0.85 116.55 126.94 3gzb n ASP 30 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 3gzb n ASP 30 Cb 0.02 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 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 0.41 -0.09 2.24 0.00 -1.60 -2.17 119.26 118.06 3gzb h ALA 31 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3gzb h ALA 31 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3gzb h ALA 31 CO 0.00 -0.02 -0.06 1.25 0.00 0.00 0.00 179.25 180.42 3gzb h LEU 32 N 0.37 -0.19 -0.68 0.00 5.85 -1.27 -0.58 115.31 118.81 3gzb h LEU 32 Ca 0.11 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3gzb h LEU 32 Cb 0.13 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 3gzb h LEU 32 CO -0.01 -0.08 -0.01 0.71 -0.34 0.00 0.00 178.44 178.70 3gzb h THR 33 N -0.07 0.02 -0.72 1.05 1.35 -1.80 -1.99 112.91 110.75 3gzb h THR 33 Ca 0.06 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 3gzb h THR 33 Cb 0.15 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 3gzb h THR 33 CO -0.13 0.01 0.00 -1.84 -0.25 0.00 0.00 175.52 173.31 3gzb n GLU 34 N -3.10 3.04 -2.72 4.72 0.28 -0.82 -2.12 120.64 119.92 3gzb n GLU 34 Ca 0.02 -2.76 -0.20 0.00 -0.16 0.00 0.00 57.16 54.07 3gzb n GLU 34 Cb 0.43 -1.68 0.02 0.00 1.43 0.00 0.00 31.44 31.64 3gzb n GLU 34 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3gzb n HIS 35 N 1.53 -1.44 -2.78 -1.84 8.25 -0.75 -4.88 115.22 113.31 3gzb n HIS 35 Ca 0.25 0.29 -0.44 0.00 -0.26 0.00 0.00 57.72 57.57 3gzb n HIS 35 Cb 0.71 -4.02 0.00 0.00 1.12 0.00 0.00 29.99 27.80 3gzb n HIS 35 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3gzb n ASP 36 N -1.95 5.18 0.19 0.41 2.03 -0.28 -4.82 116.55 117.32 3gzb n ASP 36 Ca -0.15 -3.01 0.03 0.00 0.52 0.00 0.00 54.79 52.18 3gzb n ASP 36 Cb 0.64 -1.55 0.40 0.00 -0.72 0.00 0.00 41.12 39.88 3gzb n ASP 36 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 3gzb h TYR 37 N 6.77 0.00 -0.76 -0.67 0.05 -1.91 0.03 116.97 120.49 3gzb h TYR 37 Ca 0.34 0.00 0.01 0.00 0.05 0.00 0.00 58.73 59.14 3gzb h TYR 37 Cb 0.81 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.51 3gzb h TYR 37 CO 1.15 0.33 0.50 -0.22 -1.05 0.00 0.00 178.16 178.87 3gzb h LYS 38 N 0.00 0.98 -0.13 4.88 3.64 -1.98 -0.93 116.57 123.03 3gzb h LYS 38 Ca -0.00 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 3gzb h LYS 38 Cb 0.61 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3gzb h LYS 38 CO 0.04 0.65 -0.46 1.15 -2.27 0.00 0.00 179.45 178.56 3gzb h THR 39 N 1.01 1.36 -0.88 1.00 2.02 -1.88 -3.32 112.91 112.21 3gzb h THR 39 Ca 0.28 -1.75 -0.01 0.00 0.77 0.00 0.00 66.41 65.70 3gzb h THR 39 Cb -0.09 2.10 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 3gzb h THR 39 CO -0.07 0.53 0.50 0.25 0.37 0.00 0.00 175.52 177.10 3gzb h LEU 40 N 0.16 1.09 -2.11 2.58 5.85 -0.74 -1.71 115.31 120.43 3gzb h LEU 40 Ca -0.02 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3gzb h LEU 40 Cb 1.09 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 3gzb h LEU 40 CO 0.10 0.87 -0.05 -0.29 -0.34 0.00 0.00 178.44 178.72 3gzb h ILE 41 N 1.23 0.26 0.00 4.05 2.10 -1.27 -0.96 117.51 122.92 3gzb h ILE 41 Ca 0.31 -0.37 0.00 0.00 1.08 0.00 0.00 64.86 65.88 3gzb h ILE 41 Cb 0.01 1.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.02 3gzb h ILE 41 CO -0.05 0.05 0.00 0.71 -1.08 0.00 0.00 178.15 177.78 3gzb h THR 42 N 0.00 0.00 -0.01 2.19 1.35 -1.43 -1.84 112.91 113.18 3gzb h THR 42 Ca -0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3gzb h THR 42 Cb 0.28 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 3gzb h THR 42 CO 0.01 0.00 -0.07 0.49 -0.25 0.00 0.00 175.52 175.69 3gzb n PHE 43 N -2.98 0.00 -4.41 4.73 3.72 -0.36 -4.82 117.46 113.34 3gzb n PHE 43 Ca -0.01 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.12 3gzb n PHE 43 Cb 0.18 -0.08 -0.12 0.00 -0.94 0.00 0.00 39.48 38.53 3gzb n PHE 43 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3gzb s TYR 44 N -2.23 2.33 0.00 1.38 2.02 -0.69 -0.11 117.35 120.05 3gzb s TYR 44 Ca 0.35 -0.35 0.00 0.00 -0.37 0.00 0.00 57.07 56.70 3gzb s TYR 44 Cb 0.21 -1.16 0.00 0.00 -0.40 0.00 0.00 41.96 40.61 3gzb s TYR 44 CO 0.41 0.49 0.00 0.27 -1.57 0.00 0.00 175.55 175.16 3gzb n ASN 45 N 0.28 1.14 0.02 2.29 6.94 -1.26 -4.88 115.26 119.79 3gzb n ASN 45 Ca -0.13 -0.97 0.07 0.00 -0.02 0.00 0.00 54.58 53.53 3gzb n ASN 45 Cb 0.56 0.00 0.31 0.00 -2.36 0.00 0.00 39.78 38.29 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 0.00 0.03 0.00 -3.83 1.85 -1.26 -1.34 116.66 112.11 3gzb n ARG 46 Ca 0.00 0.31 0.10 0.00 -1.00 0.00 0.00 57.85 57.25 3gzb n ARG 46 Cb 0.00 -1.56 -0.05 0.00 -1.05 0.00 0.00 32.46 29.80 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 -1.62 1.43 -4.76 2.89 8.00 -1.26 -3.48 116.55 117.75 3gzb n ASP 47 Ca 0.03 -1.21 -0.38 0.00 0.71 0.00 0.00 54.79 53.93 3gzb n ASP 47 Cb 0.16 0.72 0.01 0.00 -0.02 0.00 0.00 41.12 42.00 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 -2.52 5.78 -0.08 -2.24 0.01 -0.91 -4.62 113.70 109.12 3gzb s SER 48 Ca 0.12 2.60 0.04 0.00 1.31 0.00 0.00 55.95 60.02 3gzb s SER 48 Cb 0.15 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.75 3gzb s SER 48 CO 0.64 -1.21 -0.20 -0.63 0.41 0.00 0.00 173.24 172.26 3gzb s ILE 49 N -1.37 2.47 -0.25 1.44 1.01 -0.38 -0.39 121.20 123.73 3gzb s ILE 49 Ca 0.66 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 60.39 3gzb s ILE 49 Cb -0.36 -1.96 0.03 0.00 0.01 0.00 0.00 42.46 40.18 3gzb s ILE 49 CO 0.44 0.56 -0.06 0.12 0.00 0.00 0.00 174.94 176.00 3gzb s PHE 50 N -0.02 3.08 -0.29 3.97 5.36 -0.20 -0.68 117.98 129.19 3gzb s PHE 50 Ca -0.06 -1.56 0.02 0.00 -0.96 0.00 0.00 56.93 54.37 3gzb s PHE 50 Cb -0.15 -2.06 0.08 0.00 -0.34 0.00 0.00 43.02 40.55 3gzb s PHE 50 CO 0.05 -0.73 0.01 0.12 -1.46 0.00 0.00 175.22 173.21 3gzb s PHE 51 N 1.32 2.83 -0.74 10.12 2.19 0.60 -0.46 117.98 133.84 3gzb s PHE 51 Ca -0.00 -2.25 -0.24 0.00 0.33 0.00 0.00 56.93 54.77 3gzb s PHE 51 Cb -0.17 -2.11 0.05 0.00 -1.31 0.00 0.00 43.02 39.48 3gzb s PHE 51 CO -0.04 -0.87 1.16 0.34 1.83 0.00 0.00 175.22 177.64 3gzb s ASP 52 N 1.24 6.22 0.28 6.13 -1.08 -0.42 -0.93 116.67 128.10 3gzb s ASP 52 Ca 0.03 -0.84 0.09 0.00 -0.52 0.00 0.00 52.55 51.31 3gzb s ASP 52 Cb -0.19 -2.49 0.37 0.00 -1.46 0.00 0.00 42.92 39.15 3gzb s ASP 52 CO -0.10 -1.61 1.62 0.11 0.52 0.00 0.00 175.17 175.71 3gzb h LYS 53 N 9.76 0.05 -0.04 4.34 1.57 -1.51 -0.94 116.57 129.80 3gzb h LYS 53 Ca -0.22 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.43 3gzb h LYS 53 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 3gzb h LYS 53 CO 1.24 0.62 -0.45 1.79 -0.57 0.00 0.00 179.45 182.08 3gzb h THR 54 N 0.04 1.33 -0.00 -0.16 1.35 -1.90 -2.55 112.91 111.02 3gzb h THR 54 Ca -0.01 -1.59 0.00 0.00 -0.55 0.00 0.00 66.41 64.27 3gzb h THR 54 Cb 1.05 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 3gzb h THR 54 CO 0.08 0.46 -0.50 0.00 -0.25 0.00 0.00 175.52 175.31 3gzb n ALA 55 N -2.46 3.58 -3.76 6.62 0.00 -1.10 -4.98 120.51 118.41 3gzb n ALA 55 Ca -0.02 -0.38 -0.28 0.00 0.00 0.00 0.00 53.44 52.76 3gzb n ALA 55 Cb 0.49 -1.09 0.02 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.34 -3.17 -3.77 0.00 5.15 -0.42 -5.01 115.26 106.69 3gzb n ASN 56 Ca 0.06 -0.98 -0.26 0.00 -0.60 0.00 0.00 54.58 52.81 3gzb n ASN 56 Cb 0.34 -3.41 -0.17 0.00 -0.53 0.00 0.00 39.78 36.01 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 -6.13 0.77 -0.24 1.20 1.81 -0.80 -5.04 118.95 110.52 3gzb s ARG 57 Ca 0.26 -0.23 0.01 0.00 -1.72 0.00 0.00 55.73 54.05 3gzb s ARG 57 Cb -0.09 -1.65 0.04 0.00 -0.45 0.00 0.00 34.95 32.79 3gzb s ARG 57 CO 0.86 -0.47 -0.10 0.21 -0.68 0.00 0.00 175.30 175.11 3gzb s LYS 58 N 1.87 2.61 -0.15 3.54 2.20 -1.26 -1.30 119.74 127.24 3gzb s LYS 58 Ca 0.02 -1.11 -0.10 0.00 -0.36 0.00 0.00 55.97 54.41 3gzb s LYS 58 Cb -0.15 -2.88 -0.05 0.00 -1.51 0.00 0.00 37.83 33.24 3gzb s LYS 58 CO -0.07 -0.44 0.19 0.71 -0.36 0.00 0.00 175.35 175.38 3gzb s TYR 59 N 1.23 3.50 -0.10 4.03 1.51 0.39 -4.99 117.35 122.91 3gzb s TYR 59 Ca -0.03 0.50 0.04 0.00 -1.01 0.00 0.00 57.07 56.57 3gzb s TYR 59 Cb -0.17 -2.15 0.00 0.00 -0.11 0.00 0.00 41.96 39.53 3gzb s TYR 59 CO -0.06 0.43 -0.23 0.99 -1.11 0.00 0.00 175.55 175.57 3gzb s THR 60 N -0.10 2.00 0.00 -0.71 2.01 -1.26 -1.03 115.64 116.54 3gzb s THR 60 Ca 0.13 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.16 3gzb s THR 60 Cb -0.12 -1.74 0.00 0.00 0.01 0.00 0.00 72.50 70.65 3gzb s THR 60 CO 0.02 0.54 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 3gzb n GLY 61 N 3.64 2.30 0.33 4.40 0.00 0.47 -4.73 105.19 111.61 3gzb n GLY 61 Ca -0.19 -1.17 0.13 0.00 0.00 0.00 0.00 46.02 44.79 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 1.67 1.50 -0.02 0.00 -1.43 -0.34 103.07 104.45 3gzb h GLY 62 Ca 0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 3gzb h GLY 62 CO 0.00 -0.14 -0.17 3.21 0.00 0.00 0.00 176.54 179.44 3gzb h ARG 63 N 0.61 0.59 -0.18 4.80 3.08 -1.92 -0.41 114.38 120.95 3gzb h ARG 63 Ca 0.56 -0.20 -0.19 0.00 0.07 0.00 0.00 59.98 60.23 3gzb h ARG 63 Cb 0.95 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 3gzb h ARG 63 CO -0.43 0.74 -0.64 0.74 -1.07 0.00 0.00 179.97 179.30 3gzb h PHE 64 N 0.53 0.86 0.21 3.04 0.04 -1.44 -2.12 116.94 118.06 3gzb h PHE 64 Ca 0.09 -0.34 -0.01 0.00 2.80 0.00 0.00 57.97 60.51 3gzb h PHE 64 Cb 0.60 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.60 3gzb h PHE 64 CO 0.02 1.12 -0.10 0.82 -0.60 0.00 0.00 178.31 179.58 3gzb h ILE 65 N 0.49 0.84 -0.73 -0.55 2.04 -0.90 -2.17 117.51 116.52 3gzb h ILE 65 Ca -0.01 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 3gzb h ILE 65 Cb 1.23 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 3gzb h ILE 65 CO 0.13 0.05 0.44 0.40 0.00 0.00 0.00 178.15 179.17 3gzb h ILE 66 N -0.39 1.21 -0.78 -0.67 1.08 -1.06 -0.31 117.51 116.59 3gzb h ILE 66 Ca -0.03 -0.46 0.00 0.00 -0.39 0.00 0.00 64.86 63.99 3gzb h ILE 66 Cb 0.30 0.19 -0.04 0.00 -3.07 0.00 0.00 36.82 34.20 3gzb h ILE 66 CO 0.05 0.22 0.50 -0.78 -0.69 0.00 0.00 178.15 177.44 3gzb h ASP 67 N 1.00 0.92 -0.43 1.72 3.58 -1.33 -0.39 116.42 121.48 3gzb h ASP 67 Ca 0.26 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 3gzb h ASP 67 Cb -0.03 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.77 3gzb h ASP 67 CO -0.05 0.69 0.22 0.15 -2.88 0.00 0.00 179.24 177.37 3gzb h PHE 68 N 1.06 0.60 -0.35 0.28 3.57 -0.92 -1.85 116.94 119.33 3gzb h PHE 68 Ca 0.28 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 3gzb h PHE 68 Cb -0.08 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 3gzb h PHE 68 CO -0.01 0.47 0.09 -0.07 -2.23 0.00 0.00 178.31 176.56 3gzb h LEU 69 N 0.55 0.53 -0.41 0.59 3.38 -0.77 -0.18 115.31 119.00 3gzb h LEU 69 Ca 0.15 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3gzb h LEU 69 Cb 0.08 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3gzb h LEU 69 CO -0.02 0.62 0.05 -0.08 0.09 0.00 0.00 178.44 179.10 3gzb h GLU 70 N 0.42 0.69 -0.29 1.13 4.81 -0.97 -1.69 114.58 118.68 3gzb h GLU 70 Ca 0.11 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 3gzb h GLU 70 Cb 0.29 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3gzb h GLU 70 CO -0.00 0.74 -0.00 0.00 -0.73 0.00 0.00 179.01 179.02 3gzb h ARG 71 N 0.54 0.51 -0.41 1.92 3.08 -1.25 -2.79 114.38 115.97 3gzb h ARG 71 Ca 0.12 -0.16 0.05 0.00 0.07 0.00 0.00 59.98 60.06 3gzb h ARG 71 Cb 0.40 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3gzb h ARG 71 CO 0.01 0.66 0.28 0.00 -1.07 0.00 0.00 179.97 179.85 3gzb h ALA 72 N 0.83 1.92 -0.66 0.04 0.00 -0.78 -2.95 119.26 117.67 3gzb h ALA 72 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gzb h ALA 72 Cb 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3gzb h ALA 72 CO 0.02 0.02 0.00 0.72 0.00 0.00 0.00 179.25 180.00 3gzb n HIS 73 N -4.48 1.21 -1.68 0.00 8.25 -0.66 -4.95 115.22 112.91 3gzb n HIS 73 Ca 0.05 -0.57 -0.50 0.00 -0.26 0.00 0.00 57.72 56.44 3gzb n HIS 73 Cb 0.21 -0.13 -0.05 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 1.26 1.93 -0.12 -0.41 7.27 -1.06 -0.91 117.38 125.34 3gzb n GLN 74 Ca 0.24 0.71 0.00 0.00 0.07 0.00 0.00 57.00 58.02 3gzb n GLN 74 Cb 0.76 -2.50 0.00 0.00 2.41 0.00 0.00 30.24 30.91 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 4.08 2.14 3.72 1.69 0.00 -1.26 -4.80 105.19 110.77 3gzb n GLY 75 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.90 4.76 0.75 1.61 1.01 -0.08 -4.65 120.40 120.89 3gzb s VAL 76 Ca 0.00 1.87 -0.12 0.00 0.00 0.00 0.00 61.98 63.74 3gzb s VAL 76 Cb 0.00 -4.23 0.04 0.00 0.00 0.00 0.00 36.38 32.19 3gzb s VAL 76 CO 0.00 0.27 1.11 -0.76 0.00 0.00 0.00 175.10 175.72 3gzb s LEU 77 N 0.44 2.75 0.17 3.92 1.43 -1.26 -4.97 118.68 121.17 3gzb s LEU 77 Ca 0.45 1.09 -0.32 0.00 -1.03 0.00 0.00 54.13 54.32 3gzb s LEU 77 Cb -0.21 -3.79 -0.16 0.00 0.03 0.00 0.00 46.19 42.06 3gzb s LEU 77 CO 0.26 -1.58 1.06 1.21 0.23 0.00 0.00 176.35 177.53 3gzb n GLU 78 N -3.16 0.93 -4.33 1.70 2.13 -1.26 -4.93 120.64 111.71 3gzb n GLU 78 Ca 0.07 0.33 -0.25 0.00 0.66 0.00 0.00 57.16 57.97 3gzb n GLU 78 Cb 0.58 -1.76 -0.09 0.00 0.27 0.00 0.00 31.44 30.45 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 -0.35 2.56 0.07 4.31 1.13 -0.90 -4.72 117.35 119.44 3gzb s TYR 79 Ca 0.73 -0.48 0.08 0.00 -1.41 0.00 0.00 57.07 55.99 3gzb s TYR 79 Cb -0.89 -1.59 -0.03 0.00 -1.10 0.00 0.00 41.96 38.35 3gzb s TYR 79 CO 0.54 0.43 -0.21 -0.51 -2.51 0.00 0.00 175.55 173.29 3gzb s ASP 80 N -3.75 3.65 -0.39 -0.18 1.01 -0.51 -4.65 116.67 111.85 3gzb s ASP 80 Ca 0.36 -0.52 -0.06 0.00 0.71 0.00 0.00 52.55 53.04 3gzb s ASP 80 Cb 0.01 -0.49 0.08 0.00 1.01 0.00 0.00 42.92 43.53 3gzb s ASP 80 CO 0.20 0.23 0.19 0.12 0.21 0.00 0.00 175.17 176.12 3gzb s PHE 81 N -0.96 3.40 -0.54 4.23 5.36 -1.26 -0.60 117.98 127.60 3gzb s PHE 81 Ca 0.15 -1.85 -0.19 0.00 -0.96 0.00 0.00 56.93 54.08 3gzb s PHE 81 Cb -0.10 -2.87 0.07 0.00 -0.34 0.00 0.00 43.02 39.78 3gzb s PHE 81 CO 0.06 -0.87 0.67 -0.80 -1.46 0.00 0.00 175.22 172.81 3gzb s ASN 82 N 1.86 6.21 0.09 6.13 0.01 0.18 -4.94 114.94 124.47 3gzb s ASN 82 Ca 0.03 -1.10 -0.18 0.00 -0.71 0.00 0.00 52.86 50.90 3gzb s ASN 82 Cb -0.22 -2.30 -0.07 0.00 0.41 0.00 0.00 41.25 39.07 3gzb s ASN 82 CO -0.00 -1.00 0.56 0.27 -1.51 0.00 0.00 177.10 175.42 3gzb s ILE 83 N 2.72 4.78 -0.08 0.60 -4.36 -1.26 -1.20 121.20 122.39 3gzb s ILE 83 Ca 0.14 1.12 0.07 0.00 -0.26 0.00 0.00 60.65 61.72 3gzb s ILE 83 Cb -0.21 -3.85 -0.24 0.00 1.25 0.00 0.00 42.46 39.41 3gzb s ILE 83 CO 0.10 0.49 0.51 -0.62 0.24 0.00 0.00 174.94 175.66 3gzb n GLU 84 N 1.52 0.67 -3.07 0.37 -0.58 0.53 -4.96 120.64 115.13 3gzb n GLU 84 Ca -0.09 0.26 -0.07 0.00 -0.42 0.00 0.00 57.16 56.84 3gzb n GLU 84 Cb 0.51 -1.74 0.02 0.00 -0.57 0.00 0.00 31.44 29.66 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 -3.16 -2.01 0.00 -0.32 -0.00 -1.01 -5.03 115.22 103.69 3gzb n HIS 85 Ca -0.23 -1.38 0.00 0.00 0.46 0.00 0.00 57.72 56.57 3gzb n HIS 85 Cb 1.06 0.69 0.00 0.00 -0.12 0.00 0.00 29.99 31.62 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 -0.40 0.00 -3.90 1.57 4.11 -0.53 -1.15 117.16 116.86 3gzb n TYR 87 Ca -0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.74 3gzb n TYR 87 Cb 0.44 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.69 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 0.12 -0.30 9.48 4.22 -1.26 -0.32 114.94 126.88 3gzb s ASN 88 Ca 0.00 -0.47 0.02 0.00 -2.14 0.00 0.00 52.86 50.27 3gzb s ASN 88 Cb 0.00 0.25 0.09 0.00 1.28 0.00 0.00 41.25 42.87 3gzb s ASN 88 CO 0.00 -0.53 0.04 0.00 -2.04 0.00 0.00 177.10 174.57 3gzb s ALA 89 N -2.59 2.21 0.00 3.54 0.00 -0.14 -5.00 121.76 119.77 3gzb s ALA 89 Ca -0.05 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 49.95 3gzb s ALA 89 Cb -0.01 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.38 3gzb s ALA 89 CO -0.04 -1.56 0.00 0.41 0.00 0.00 0.00 175.76 174.56 3gzb n GLY 90 N 4.55 3.39 0.45 0.00 0.00 -1.26 -1.61 105.19 110.70 3gzb n GLY 90 Ca -0.02 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.04 3gzb n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gzb n SER 91 N 4.42 1.30 -4.54 1.61 7.64 -1.26 -4.70 113.62 118.09 3gzb n SER 91 Ca 0.00 -1.93 -0.40 0.00 1.01 0.00 0.00 58.87 57.55 3gzb n SER 91 Cb 0.00 -0.15 -0.11 0.00 -1.01 0.00 0.00 64.21 62.94 3gzb n SER 91 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3gzb s LEU 92 N -1.10 4.35 -0.16 -3.43 2.96 -0.64 -0.83 118.68 119.84 3gzb s LEU 92 Ca 0.19 -0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 53.74 3gzb s LEU 92 Cb 0.10 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 3gzb s LEU 92 CO 0.14 -0.18 0.02 -0.69 -1.32 0.00 0.00 176.35 174.31 3gzb s VAL 93 N 1.72 4.40 0.49 1.68 1.01 -0.05 -0.97 120.40 128.68 3gzb s VAL 93 Ca 0.06 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.89 3gzb s VAL 93 Cb -0.17 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 3gzb s VAL 93 CO 0.10 0.50 0.03 -0.69 0.00 0.00 0.00 175.10 175.04 3gzb s VAL 94 N 0.13 1.35 -0.30 2.92 1.01 0.56 -0.82 120.40 125.26 3gzb s VAL 94 Ca 0.02 -1.97 -0.16 0.00 0.00 0.00 0.00 61.98 59.87 3gzb s VAL 94 Cb -0.13 -2.32 0.19 0.00 0.00 0.00 0.00 36.38 34.12 3gzb s VAL 94 CO 0.02 0.00 1.18 -0.63 0.00 0.00 0.00 175.10 175.66 3gzb s ILE 96 N -2.84 -0.05 0.00 2.22 1.01 -0.30 -1.46 121.20 119.78 3gzb s ILE 96 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.78 3gzb s ILE 96 Cb 0.03 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.50 3gzb s ILE 96 CO 0.07 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.62 3gzb n GLY 97 N 3.63 0.80 3.03 6.18 0.00 -0.57 -0.35 105.19 117.92 3gzb n GLY 97 Ca -0.15 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 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 1.59 -0.23 1.61 0.01 -0.34 -0.83 114.94 118.75 3gzb s ASN 98 Ca 0.00 -0.26 -0.19 0.00 -0.71 0.00 0.00 52.86 51.70 3gzb s ASN 98 Cb 0.00 -0.55 -0.03 0.00 0.41 0.00 0.00 41.25 41.09 3gzb s ASN 98 CO 0.00 0.07 0.56 -0.31 -1.51 0.00 0.00 177.10 175.91 3gzb s TYR 99 N 0.34 3.32 -0.31 2.20 2.02 0.15 -0.65 117.35 124.42 3gzb s TYR 99 Ca -0.07 0.77 -0.07 0.00 -0.37 0.00 0.00 57.07 57.33 3gzb s TYR 99 Cb -0.12 -2.74 0.02 0.00 -0.40 0.00 0.00 41.96 38.71 3gzb s TYR 99 CO 0.02 -0.21 0.10 -1.58 -1.57 0.00 0.00 175.55 172.31 3gzb s HIS 100 N 2.06 3.18 -0.12 2.71 5.65 0.23 -0.34 115.29 128.65 3gzb s HIS 100 Ca 0.25 -1.03 -0.01 0.00 0.25 0.00 0.00 55.06 54.52 3gzb s HIS 100 Cb -0.16 -2.29 -0.02 0.00 -1.18 0.00 0.00 32.58 28.94 3gzb s HIS 100 CO 0.09 -0.60 -0.10 -0.06 -0.65 0.00 0.00 174.74 173.42 3gzb s PHE 101 N 1.50 2.88 -0.04 3.88 0.40 -0.38 -1.42 117.98 124.80 3gzb s PHE 101 Ca 0.02 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 55.93 3gzb s PHE 101 Cb -0.18 -1.85 0.02 0.00 0.51 0.00 0.00 43.02 41.53 3gzb s PHE 101 CO 0.03 -0.06 -0.03 0.21 0.70 0.00 0.00 175.22 176.07 3gzb s LYS 102 N 0.14 0.58 0.00 0.44 2.20 -1.26 -1.03 119.74 120.81 3gzb s LYS 102 Ca -0.05 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.53 3gzb s LYS 102 Cb -0.14 -0.66 0.00 0.00 -1.51 0.00 0.00 37.83 35.52 3gzb s LYS 102 CO 0.04 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.35 3gzb n GLY 103 N 4.02 -0.05 3.64 5.54 0.00 -0.65 -4.69 105.19 113.00 3gzb n GLY 103 Ca -0.26 -1.50 -0.45 0.00 0.00 0.00 0.00 46.02 43.81 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 1.72 -0.21 1.61 -0.02 -1.26 -0.65 135.00 136.19 3gzb n PRO 104 Ca 0.00 0.61 0.10 0.00 -2.02 0.00 0.00 63.50 62.19 3gzb n PRO 104 Cb 0.00 -2.14 0.27 0.00 -0.02 0.00 0.00 33.50 31.61 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 1.55 1.36 0.24 -1.23 0.00 0.34 -4.59 105.19 102.86 3gzb n GLY 105 Ca 0.10 -0.61 0.01 0.00 0.00 0.00 0.00 46.02 45.52 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 3.45 0.08 0.00 1.61 3.07 -1.82 0.51 114.58 121.48 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 0.77 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 3gzb h GLU 106 CO 0.00 0.05 0.00 1.04 -1.40 0.00 0.00 179.01 178.70 3gzb n GLN 107 N -5.33 0.17 -0.49 2.33 1.13 -1.26 -2.43 117.38 111.49 3gzb n GLN 107 Ca 0.09 0.37 0.09 0.00 -1.94 0.00 0.00 57.00 55.62 3gzb n GLN 107 Cb 0.37 -1.80 0.31 0.00 0.11 0.00 0.00 30.24 29.23 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 -2.11 1.19 -1.36 1.08 3.72 -0.01 -4.94 117.46 115.03 3gzb n PHE 108 Ca 0.03 -0.61 -0.04 0.00 -0.05 0.00 0.00 57.45 56.77 3gzb n PHE 108 Cb 0.24 -0.19 -0.01 0.00 -0.94 0.00 0.00 39.48 38.58 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 0.88 0.57 2.44 1.37 0.00 -1.02 -4.97 105.19 104.47 3gzb n GLY 109 Ca 0.23 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.51 1.79 -1.99 1.61 4.76 -0.17 -5.01 118.16 116.65 3gzb n LYS 110 Ca -0.04 -3.96 -0.39 0.00 -2.87 0.00 0.00 58.31 51.05 3gzb n LYS 110 Cb 0.24 -1.84 0.01 0.00 -1.84 0.00 0.00 35.03 31.59 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 -2.49 3.73 0.00 1.97 0.04 -1.26 -2.39 135.00 134.60 3gzb s PRO 111 Ca 0.42 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.61 3gzb s PRO 111 Cb 0.27 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 32.22 3gzb s PRO 111 CO -0.09 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.66 3gzb n GLY 112 N 0.63 0.57 3.63 0.56 0.00 -1.26 -4.94 105.19 104.39 3gzb n GLY 112 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.39 2.06 -0.19 1.61 1.02 -1.00 -5.01 119.74 117.83 3gzb s LYS 113 Ca 0.00 -1.80 -0.07 0.00 0.02 0.00 0.00 55.97 54.12 3gzb s LYS 113 Cb 0.00 -1.89 -0.04 0.00 -0.52 0.00 0.00 37.83 35.38 3gzb s LYS 113 CO 0.00 0.10 0.05 0.42 -0.92 0.00 0.00 175.35 175.00 3gzb s ILE 114 N -2.55 4.57 0.30 2.17 -1.09 -1.26 -0.50 121.20 122.83 3gzb s ILE 114 Ca 0.35 -0.11 0.08 0.00 -2.23 0.00 0.00 60.65 58.74 3gzb s ILE 114 Cb 0.01 -3.07 -0.04 0.00 -1.58 0.00 0.00 42.46 37.79 3gzb s ILE 114 CO 0.19 0.44 0.16 0.27 -1.23 0.00 0.00 174.94 174.77 3gzb s ILE 115 N 0.61 3.67 -0.22 2.92 -5.25 0.17 -4.90 121.20 118.21 3gzb s ILE 115 Ca 0.02 -1.58 -0.04 0.00 -0.99 0.00 0.00 60.65 58.06 3gzb s ILE 115 Cb -0.13 -3.12 0.11 0.00 2.95 0.00 0.00 42.46 42.26 3gzb s ILE 115 CO 0.02 -0.28 0.28 -0.62 -1.79 0.00 0.00 174.94 172.55 3gzb s ASP 116 N -3.84 0.96 0.07 4.36 -1.08 -1.26 -1.63 116.67 114.25 3gzb s ASP 116 Ca 0.35 -0.05 0.04 0.00 -0.52 0.00 0.00 52.55 52.37 3gzb s ASP 116 Cb -0.06 0.65 -0.03 0.00 -1.46 0.00 0.00 42.92 42.02 3gzb s ASP 116 CO 0.24 -0.32 -0.11 0.68 0.52 0.00 0.00 175.17 176.18 3gzb s VAL 117 N 2.41 0.89 -0.22 1.11 -7.23 -0.20 -4.95 120.40 112.21 3gzb s VAL 117 Ca 0.09 -1.30 -0.01 0.00 -1.81 0.00 0.00 61.98 58.95 3gzb s VAL 117 Cb -0.16 -0.98 0.06 0.00 0.56 0.00 0.00 36.38 35.87 3gzb s VAL 117 CO -0.13 -0.34 -0.00 0.00 -0.31 0.00 0.00 175.10 174.31 3gzb s ALA 118 N -1.54 1.45 -0.29 1.32 0.00 -1.26 -1.25 121.76 120.19 3gzb s ALA 118 Ca -0.03 -1.02 -0.05 0.00 0.00 0.00 0.00 51.96 50.86 3gzb s ALA 118 Cb -0.09 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.75 3gzb s ALA 118 CO 0.01 -1.20 0.04 0.42 0.00 0.00 0.00 175.76 175.03 3gzb s ILE 119 N 1.64 3.51 0.45 0.00 1.01 0.53 -4.87 121.20 123.48 3gzb s ILE 119 Ca -0.03 -0.96 -0.25 0.00 0.00 0.00 0.00 60.65 59.42 3gzb s ILE 119 Cb -0.18 -2.87 -0.09 0.00 0.01 0.00 0.00 42.46 39.34 3gzb s ILE 119 CO -0.08 0.04 1.32 -2.65 0.00 0.00 0.00 174.94 173.57 3gzb n PRO 120 N 4.77 1.97 -3.45 2.79 -0.02 -1.26 -0.67 135.00 139.12 3gzb n PRO 120 Ca -0.14 0.71 -0.12 0.00 -2.02 0.00 0.00 63.50 61.92 3gzb n PRO 120 Cb 0.46 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 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 -1.22 -1.68 -0.09 3.55 0.00 -0.01 -1.09 121.76 121.23 3gzb s ALA 121 Ca 0.63 0.73 0.03 0.00 0.00 0.00 0.00 51.96 53.34 3gzb s ALA 121 Cb -0.48 0.64 0.01 0.00 0.00 0.00 0.00 23.12 23.29 3gzb s ALA 121 CO 0.57 -0.69 -0.19 0.08 0.00 0.00 0.00 175.76 175.52 3gzb s VAL 122 N -3.25 1.68 -0.08 0.00 1.01 -0.64 -1.52 120.40 117.60 3gzb s VAL 122 Ca 0.00 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.23 3gzb s VAL 122 Cb -0.01 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.89 3gzb s VAL 122 CO -0.09 0.48 -0.18 -0.89 0.00 0.00 0.00 175.10 174.42 3gzb s THR 123 N 0.60 1.57 0.08 3.92 2.01 -1.26 -0.76 115.64 121.80 3gzb s THR 123 Ca -0.14 -0.74 0.10 0.00 0.31 0.00 0.00 61.69 61.22 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 0.05 0.45 -0.26 -0.94 -0.69 0.00 0.00 174.62 173.22 3gzb s SER 124 N 0.46 3.25 -0.10 3.53 1.04 -0.30 -4.48 113.70 117.11 3gzb s SER 124 Ca -0.16 -0.65 0.02 0.00 0.48 0.00 0.00 55.95 55.64 3gzb s SER 124 Cb -0.16 -0.27 0.01 0.00 0.10 0.00 0.00 66.02 65.70 3gzb s SER 124 CO 0.06 0.23 -0.15 -0.76 0.98 0.00 0.00 173.24 173.59 3gzb s LEU 125 N -1.58 1.74 -0.24 2.42 1.43 -0.00 -0.86 118.68 121.58 3gzb s LEU 125 Ca 0.13 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 3gzb s LEU 125 Cb -0.10 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 45.00 3gzb s LEU 125 CO 0.04 0.03 0.23 -0.75 0.23 0.00 0.00 176.35 176.13 3gzb s LYS 126 N 0.87 4.07 -0.00 1.70 2.47 0.35 -0.87 119.74 128.32 3gzb s LYS 126 Ca -0.09 -0.16 0.03 0.00 -1.56 0.00 0.00 55.97 54.19 3gzb s LYS 126 Cb -0.15 -3.57 -0.03 0.00 -1.46 0.00 0.00 37.83 32.62 3gzb s LYS 126 CO 0.00 -0.02 -0.07 -0.51 0.16 0.00 0.00 175.35 174.92 3gzb s LEU 127 N 1.28 3.17 0.37 5.43 1.43 -0.01 -0.50 118.68 129.85 3gzb s LEU 127 Ca 0.10 -0.13 0.07 0.00 -1.03 0.00 0.00 54.13 53.14 3gzb s LEU 127 Cb -0.14 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 3gzb s LEU 127 CO 0.06 0.29 0.46 -0.62 0.23 0.00 0.00 176.35 176.77 3gzb s ASP 128 N -1.37 5.65 0.00 2.29 -1.08 0.45 -4.81 116.67 117.80 3gzb s ASP 128 Ca 0.17 -0.38 0.00 0.00 -0.52 0.00 0.00 52.55 51.82 3gzb s ASP 128 Cb -0.11 -0.93 0.00 0.00 -1.46 0.00 0.00 42.92 40.42 3gzb s ASP 128 CO 0.07 -0.55 0.00 -0.11 0.52 0.00 0.00 175.17 175.10 3gzb n LEU 130 N -1.65 0.00 -0.85 -1.34 7.94 -1.26 -0.56 117.00 119.29 3gzb n LEU 130 Ca 0.03 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 55.03 3gzb n LEU 130 Cb 0.59 0.00 0.10 0.00 0.53 0.00 0.00 43.42 44.64 3gzb n LEU 130 CO 0.41 0.00 0.59 0.59 -1.11 0.00 0.00 177.39 177.87 3gzb n ASN 131 N 0.00 2.78 -3.68 1.96 3.02 -1.26 -4.98 115.26 113.10 3gzb n ASN 131 Ca 0.00 -1.87 -0.24 0.00 -0.03 0.00 0.00 54.58 52.44 3gzb n ASN 131 Cb 0.00 -0.02 0.03 0.00 -0.61 0.00 0.00 39.78 39.18 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 1.18 -3.49 -4.96 3.52 1.74 0.28 -4.99 116.66 109.93 3gzb n ARG 132 Ca 0.13 0.58 -0.27 0.00 -0.77 0.00 0.00 57.85 57.51 3gzb n ARG 132 Cb 0.52 -4.90 -0.15 0.00 -1.02 0.00 0.00 32.46 26.91 3gzb n ARG 132 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3gzb s ARG 133 N -5.88 1.66 -0.35 5.56 3.52 -0.72 -4.56 118.95 118.19 3gzb s ARG 133 Ca 0.17 -0.81 -0.23 0.00 -0.13 0.00 0.00 55.73 54.73 3gzb s ARG 133 Cb -0.05 -1.65 0.01 0.00 -1.56 0.00 0.00 34.95 31.70 3gzb s ARG 133 CO 0.83 0.45 0.78 0.08 -0.81 0.00 0.00 175.30 176.62 3gzb s VAL 134 N -0.57 4.75 0.03 7.11 1.01 0.84 -0.41 120.40 133.15 3gzb s VAL 134 Ca 0.08 0.93 0.05 0.00 0.00 0.00 0.00 61.98 63.04 3gzb s VAL 134 Cb -0.08 -4.20 -0.24 0.00 0.00 0.00 0.00 36.38 31.86 3gzb s VAL 134 CO -0.00 -0.40 0.94 0.71 0.00 0.00 0.00 175.10 176.35 3gzb h THR 135 N 5.73 1.25 -2.62 3.92 1.35 -1.08 -3.42 112.91 118.02 3gzb h THR 135 Ca -0.25 -2.98 -0.13 0.00 -0.55 0.00 0.00 66.41 62.51 3gzb h THR 135 Cb 1.09 2.68 -0.28 0.00 -1.73 0.00 0.00 68.15 69.91 3gzb h THR 135 CO 0.90 0.77 -0.40 -0.70 -0.25 0.00 0.00 175.52 175.85 3gzb s GLU 136 N -2.64 0.29 -0.28 4.72 2.12 -1.08 -1.25 118.70 120.58 3gzb s GLU 136 Ca -0.04 0.92 -0.08 0.00 0.36 0.00 0.00 54.97 56.13 3gzb s GLU 136 Cb 0.08 0.19 -0.01 0.00 0.26 0.00 0.00 34.13 34.65 3gzb s GLU 136 CO 0.83 -0.24 0.09 -1.58 -0.54 0.00 0.00 175.26 173.82 3gzb s HIS 137 N 2.35 3.12 -0.18 5.30 5.65 0.14 -0.50 115.29 131.18 3gzb s HIS 137 Ca -0.02 -0.62 -0.02 0.00 0.25 0.00 0.00 55.06 54.65 3gzb s HIS 137 Cb -0.11 -2.27 -0.01 0.00 -1.18 0.00 0.00 32.58 29.00 3gzb s HIS 137 CO -0.12 -0.45 -0.09 0.08 -0.65 0.00 0.00 174.74 173.51 3gzb s VAL 138 N 1.58 3.12 -0.12 0.89 1.01 -0.04 -0.29 120.40 126.55 3gzb s VAL 138 Ca 0.05 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 3gzb s VAL 138 Cb -0.16 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 3gzb s VAL 138 CO 0.04 0.48 -0.02 -1.81 0.00 0.00 0.00 175.10 173.79 3gzb s ASP 139 N 0.98 4.99 -0.39 3.32 1.01 -0.11 -1.15 116.67 125.33 3gzb s ASP 139 Ca -0.01 0.00 0.03 0.00 0.71 0.00 0.00 52.55 53.29 3gzb s ASP 139 Cb -0.15 -1.58 0.11 0.00 1.01 0.00 0.00 42.92 42.31 3gzb s ASP 139 CO -0.01 0.28 0.11 -0.76 0.21 0.00 0.00 175.17 175.00 3gzb s LEU 140 N -0.28 4.31 -0.14 1.23 1.43 0.06 -1.41 118.68 123.88 3gzb s LEU 140 Ca 0.05 -2.34 -0.04 0.00 -1.03 0.00 0.00 54.13 50.77 3gzb s LEU 140 Cb -0.12 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 3gzb s LEU 140 CO 0.02 -0.34 0.02 -0.63 0.23 0.00 0.00 176.35 175.65 3gzb s ILE 141 N 0.65 4.40 -1.27 -0.59 -1.09 -1.26 -1.62 121.20 120.42 3gzb s ILE 141 Ca 0.13 -0.19 -0.16 0.00 -2.23 0.00 0.00 60.65 58.20 3gzb s ILE 141 Cb -0.21 -2.92 0.11 0.00 -1.58 0.00 0.00 42.46 37.86 3gzb s ILE 141 CO -0.07 0.53 1.66 -0.67 -1.23 0.00 0.00 174.94 175.15 3gzb n ASP 142 N 2.97 5.00 0.10 3.58 2.03 -0.25 -4.81 116.55 125.17 3gzb n ASP 142 Ca -0.18 -2.95 0.01 0.00 0.52 0.00 0.00 54.79 52.20 3gzb n ASP 142 Cb 0.53 -1.66 0.34 0.00 -0.72 0.00 0.00 41.12 39.61 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 7.22 0.29 -0.60 -0.67 0.05 -1.96 -2.86 116.97 118.45 3gzb h TYR 143 Ca 0.40 -0.04 -0.08 0.00 0.05 0.00 0.00 58.73 59.06 3gzb h TYR 143 Cb 0.85 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.48 3gzb h TYR 143 CO 1.29 0.44 0.05 0.37 -1.05 0.00 0.00 178.16 179.27 3gzb h GLN 144 N 0.26 1.01 -1.77 4.88 5.75 -2.00 -0.44 115.11 122.80 3gzb h GLN 144 Ca 0.05 -0.28 0.00 0.00 -0.15 0.00 0.00 58.65 58.27 3gzb h GLN 144 Cb 0.46 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.90 3gzb h GLN 144 CO 0.03 0.96 0.00 2.41 -2.65 0.00 0.00 178.83 179.58 3gzb n THR 145 N -4.20 0.25 0.00 2.39 -1.04 -1.08 -0.95 114.28 109.65 3gzb n THR 145 Ca 0.04 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 3gzb n THR 145 Cb 0.31 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.18 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 0.91 0.00 -0.26 8.00 2.88 -0.18 -1.84 113.62 123.14 3gzb n SER 147 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 3gzb n SER 147 Cb 0.12 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.64 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 0.88 -0.46 -3.46 3.32 -1.30 -0.71 116.42 114.69 3gzb h ASP 148 Ca 0.00 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 3gzb h ASP 148 Cb 0.00 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3gzb h ASP 148 CO 0.00 0.70 0.03 1.56 -1.72 0.00 0.00 179.24 179.81 3gzb h GLN 149 N 0.99 0.79 0.00 3.56 4.20 -1.63 -3.08 115.11 119.94 3gzb h GLN 149 Ca 0.26 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 3gzb h GLN 149 Cb -0.02 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3gzb h GLN 149 CO -0.05 0.83 -0.26 -0.07 -0.67 0.00 0.00 178.83 178.61 3gzb h LEU 150 N 0.64 0.00 -3.37 1.46 3.38 -1.77 -3.30 115.31 112.35 3gzb h LEU 150 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3gzb h LEU 150 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3gzb h LEU 150 CO 0.02 0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.81 3gzb n ALA 151 N -2.45 1.56 0.00 1.53 0.00 -0.30 -5.09 120.51 115.76 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 0.32 -1.68 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