#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gzb s PRO 19 N 0.00 2.84 0.33 3.44 0.02 -1.26 -5.16 135.00 135.22 3gzb s PRO 19 Ca 0.00 -0.55 0.07 0.00 0.02 0.00 0.00 61.00 60.54 3gzb s PRO 19 Cb 0.00 -2.70 0.76 0.00 0.02 0.00 0.00 34.50 32.57 3gzb s PRO 19 CO 0.00 0.65 1.85 1.96 -0.33 0.00 0.00 177.00 181.13 3gzb h GLN 20 N 4.57 0.74 -0.59 5.54 1.08 -1.99 -1.17 115.11 123.29 3gzb h GLN 20 Ca -0.49 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 56.66 3gzb h GLN 20 Cb 1.18 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 28.41 3gzb h GLN 20 CO 0.57 0.49 0.34 0.93 -0.95 0.00 0.00 178.83 180.21 3gzb h GLU 21 N 0.76 0.80 -0.51 1.46 3.07 -2.00 -1.10 114.58 117.08 3gzb h GLU 21 Ca 0.47 -0.08 -0.10 0.00 -0.50 0.00 0.00 59.36 59.15 3gzb h GLU 21 Cb 0.70 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 3gzb h GLU 21 CO -0.24 0.59 -0.10 1.96 -1.40 0.00 0.00 179.01 179.83 3gzb h GLN 22 N 0.79 0.93 -0.69 2.33 4.20 -1.68 -1.64 115.11 119.36 3gzb h GLN 22 Ca 0.21 -0.33 0.01 0.00 0.06 0.00 0.00 58.65 58.61 3gzb h GLN 22 Cb 0.00 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 3gzb h GLN 22 CO -0.04 0.98 0.45 1.96 -0.67 0.00 0.00 178.83 181.51 3gzb h GLN 23 N 0.84 0.88 -0.54 1.46 4.20 -0.88 -1.11 115.11 119.96 3gzb h GLN 23 Ca 0.14 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.68 3gzb h GLN 23 Cb 0.63 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 3gzb h GLN 23 CO 0.04 0.59 -0.11 1.25 -0.67 0.00 0.00 178.83 179.93 3gzb h LEU 24 N 0.91 1.03 -0.72 1.46 5.85 -1.08 -1.88 115.31 120.88 3gzb h LEU 24 Ca 0.26 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3gzb h LEU 24 Cb -0.08 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.64 3gzb h LEU 24 CO -0.07 1.14 0.47 0.00 -0.34 0.00 0.00 178.44 179.64 3gzb h ALA 25 N 0.95 0.91 -0.50 1.25 0.00 -0.82 -1.08 119.26 119.98 3gzb h ALA 25 Ca 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3gzb h ALA 25 Cb 0.68 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3gzb h ALA 25 CO 0.05 0.34 0.23 0.28 0.00 0.00 0.00 179.25 180.14 3gzb h VAL 26 N 0.98 1.20 -0.72 0.00 2.07 -1.01 -2.92 116.25 115.84 3gzb h VAL 26 Ca 0.26 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 67.24 3gzb h VAL 26 Cb -0.11 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 3gzb h VAL 26 CO -0.06 0.22 0.45 0.11 0.02 0.00 0.00 177.57 178.32 3gzb h LYS 27 N 0.66 0.84 -0.01 1.57 1.57 -0.92 0.41 116.57 120.68 3gzb h LYS 27 Ca 0.17 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3gzb h LYS 27 Cb 0.14 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3gzb h LYS 27 CO -0.02 0.56 0.00 0.98 -0.57 0.00 0.00 179.45 180.40 3gzb n TYR 28 N -4.66 0.00 0.00 -1.35 9.36 -0.45 -1.66 117.16 118.40 3gzb n TYR 28 Ca 0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.30 3gzb n TYR 28 Cb 0.10 -0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.81 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 0.30 0.00 -0.15 2.98 8.00 0.13 -1.01 116.55 126.80 3gzb n ASP 30 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 3gzb n ASP 30 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.17 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 0.89 0.13 2.24 0.00 -1.56 -1.35 119.26 119.61 3gzb h ALA 31 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3gzb h ALA 31 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3gzb h ALA 31 CO 0.00 0.64 -0.06 1.25 0.00 0.00 0.00 179.25 181.08 3gzb h LEU 32 N 0.84 -0.14 -1.26 0.00 6.46 -1.34 0.30 115.31 120.17 3gzb h LEU 32 Ca 0.14 -0.20 -0.02 0.00 -0.12 0.00 0.00 57.88 57.67 3gzb h LEU 32 Cb 0.61 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.57 3gzb h LEU 32 CO 0.04 0.13 -0.12 0.71 -0.62 0.00 0.00 178.44 178.58 3gzb h THR 33 N -0.42 0.30 -0.01 1.05 1.35 -1.80 -1.99 112.91 111.38 3gzb h THR 33 Ca -0.02 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 3gzb h THR 33 Cb 0.34 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 3gzb h THR 33 CO 0.03 0.11 -0.38 -1.84 -0.25 0.00 0.00 175.52 173.19 3gzb n GLU 34 N -3.26 0.79 -3.29 4.72 0.28 -0.52 -4.73 120.64 114.64 3gzb n GLU 34 Ca 0.00 -0.54 -0.22 0.00 -0.16 0.00 0.00 57.16 56.24 3gzb n GLU 34 Cb 0.37 -1.49 0.06 0.00 1.43 0.00 0.00 31.44 31.81 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 -0.63 -2.34 -2.74 -1.84 8.25 -0.59 -4.93 115.22 110.40 3gzb n HIS 35 Ca 0.10 0.76 -0.43 0.00 -0.26 0.00 0.00 57.72 57.89 3gzb n HIS 35 Cb 0.38 -4.58 -0.01 0.00 1.12 0.00 0.00 29.99 26.90 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 -3.06 6.86 0.33 0.41 2.15 -0.01 -4.82 116.67 118.53 3gzb s ASP 36 Ca 0.44 -2.48 0.14 0.00 0.43 0.00 0.00 52.55 51.08 3gzb s ASP 36 Cb -0.19 -2.50 0.54 0.00 -0.30 0.00 0.00 42.92 40.47 3gzb s ASP 36 CO 0.54 -1.05 1.69 1.88 -0.17 0.00 0.00 175.17 178.06 3gzb h TYR 37 N 7.82 0.00 -0.67 -5.34 0.05 -1.92 0.92 116.97 117.83 3gzb h TYR 37 Ca 0.34 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.10 3gzb h TYR 37 Cb 0.90 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.61 3gzb h TYR 37 CO 1.27 0.49 0.34 -0.22 -1.05 0.00 0.00 178.16 178.99 3gzb h LYS 38 N 0.00 0.95 -0.08 4.88 3.64 -1.97 -0.54 116.57 123.45 3gzb h LYS 38 Ca -0.00 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.17 3gzb h LYS 38 Cb 0.97 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3gzb h LYS 38 CO 0.06 0.74 -0.25 1.15 -2.27 0.00 0.00 179.45 178.88 3gzb h THR 39 N 0.93 1.42 -0.98 1.00 2.02 -1.88 -3.34 112.91 112.07 3gzb h THR 39 Ca 0.23 -1.62 0.02 0.00 0.77 0.00 0.00 66.41 65.82 3gzb h THR 39 Cb 0.08 2.25 -0.05 0.00 -1.74 0.00 0.00 68.15 68.69 3gzb h THR 39 CO -0.03 0.46 0.65 0.25 0.37 0.00 0.00 175.52 177.22 3gzb h LEU 40 N -0.17 1.11 -1.91 2.58 5.85 -0.56 -1.87 115.31 120.34 3gzb h LEU 40 Ca -0.01 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3gzb h LEU 40 Cb 0.88 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 3gzb h LEU 40 CO 0.05 0.79 -0.12 -0.29 -0.34 0.00 0.00 178.44 178.53 3gzb h ILE 41 N 1.30 0.82 0.00 4.05 6.09 -1.22 -0.62 117.51 127.93 3gzb h ILE 41 Ca 0.37 -0.44 0.00 0.00 -1.37 0.00 0.00 64.86 63.42 3gzb h ILE 41 Cb -0.10 1.26 0.00 0.00 0.47 0.00 0.00 36.82 38.45 3gzb h ILE 41 CO -0.09 0.11 0.00 0.71 -3.07 0.00 0.00 178.15 175.81 3gzb h THR 42 N 0.00 0.00 -0.00 2.19 1.35 -1.46 -1.81 112.91 113.18 3gzb h THR 42 Ca -0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 3gzb h THR 42 Cb 0.25 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 3gzb h THR 42 CO 0.02 0.00 -0.33 0.49 -0.25 0.00 0.00 175.52 175.44 3gzb n PHE 43 N -2.38 0.00 -4.58 4.73 3.72 -0.24 -4.70 117.46 114.01 3gzb n PHE 43 Ca 0.01 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 3gzb n PHE 43 Cb 0.17 -0.20 -0.14 0.00 -0.94 0.00 0.00 39.48 38.38 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 -2.74 2.32 0.09 1.38 2.02 -0.68 -0.39 117.35 119.36 3gzb s TYR 44 Ca 0.19 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.50 3gzb s TYR 44 Cb 0.19 -1.31 -0.00 0.00 -0.40 0.00 0.00 41.96 40.44 3gzb s TYR 44 CO 0.59 0.26 0.01 0.27 -1.57 0.00 0.00 175.55 175.11 3gzb n ASN 45 N 1.23 1.98 0.28 2.29 0.23 -1.26 -4.80 115.26 115.22 3gzb n ASN 45 Ca -0.18 -1.43 0.19 0.00 -0.53 0.00 0.00 54.58 52.63 3gzb n ASN 45 Cb 0.53 0.10 0.92 0.00 -2.08 0.00 0.00 39.78 39.25 3gzb n ASN 45 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 3gzb h ARG 46 N 0.00 0.00 -0.00 -3.83 0.11 -1.94 -2.06 114.38 106.66 3gzb h ARG 46 Ca -0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.00 3gzb h ARG 46 Cb 0.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.33 3gzb h ARG 46 CO 0.13 0.00 -0.57 -0.25 0.10 0.00 0.00 179.97 179.38 3gzb n ASP 47 N -2.93 0.89 -4.72 0.08 8.00 -1.26 -3.24 116.55 113.37 3gzb n ASP 47 Ca -0.01 -0.70 -0.42 0.00 0.71 0.00 0.00 54.79 54.37 3gzb n ASP 47 Cb 0.16 0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 41.66 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 -2.84 6.55 -0.19 -2.24 0.01 -0.78 -4.72 113.70 109.48 3gzb s SER 48 Ca 0.14 2.66 -0.05 0.00 1.31 0.00 0.00 55.95 60.01 3gzb s SER 48 Cb 0.18 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.78 3gzb s SER 48 CO 0.69 -0.84 -0.01 -0.63 0.41 0.00 0.00 173.24 172.86 3gzb s ILE 49 N 1.09 3.94 -0.26 1.44 1.01 -0.50 -0.53 121.20 127.39 3gzb s ILE 49 Ca 0.70 -0.32 -0.08 0.00 0.00 0.00 0.00 60.65 60.95 3gzb s ILE 49 Cb -0.45 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 3gzb s ILE 49 CO 0.32 0.44 0.09 0.12 0.00 0.00 0.00 174.94 175.91 3gzb s PHE 50 N 0.92 3.11 -0.20 3.97 2.19 0.40 -0.61 117.98 127.77 3gzb s PHE 50 Ca 0.01 -0.40 -0.01 0.00 0.33 0.00 0.00 56.93 56.87 3gzb s PHE 50 Cb -0.14 -2.27 0.05 0.00 -1.31 0.00 0.00 43.02 39.35 3gzb s PHE 50 CO 0.02 -0.35 -0.03 0.12 1.83 0.00 0.00 175.22 176.80 3gzb s PHE 51 N 1.63 1.79 -0.79 10.12 5.36 0.24 -1.05 117.98 135.27 3gzb s PHE 51 Ca 0.06 -1.27 -0.21 0.00 -0.96 0.00 0.00 56.93 54.55 3gzb s PHE 51 Cb -0.15 -1.34 0.10 0.00 -0.34 0.00 0.00 43.02 41.28 3gzb s PHE 51 CO 0.05 -0.67 1.05 0.34 -1.46 0.00 0.00 175.22 174.52 3gzb s ASP 52 N 1.60 6.39 0.30 6.13 -1.08 -0.09 -0.99 116.67 128.93 3gzb s ASP 52 Ca -0.02 -1.50 0.02 0.00 -0.52 0.00 0.00 52.55 50.53 3gzb s ASP 52 Cb -0.17 -2.41 0.48 0.00 -1.46 0.00 0.00 42.92 39.36 3gzb s ASP 52 CO -0.07 -1.26 1.80 0.50 0.52 0.00 0.00 175.17 176.66 3gzb h LYS 53 N 9.24 0.58 -0.17 4.34 3.64 -1.56 0.19 116.57 132.82 3gzb h LYS 53 Ca -0.07 -0.16 -0.10 0.00 -1.27 0.00 0.00 60.65 59.06 3gzb h LYS 53 Cb 1.05 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 3gzb h LYS 53 CO 1.16 0.66 -0.31 1.79 -2.27 0.00 0.00 179.45 180.47 3gzb h THR 54 N 0.54 1.28 -0.00 1.00 1.35 -1.90 -2.87 112.91 112.32 3gzb h THR 54 Ca 0.11 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 3gzb h THR 54 Cb 0.46 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 3gzb h THR 54 CO 0.02 0.41 -0.56 0.00 -0.25 0.00 0.00 175.52 175.14 3gzb n ALA 55 N -2.48 3.73 -3.93 6.62 0.00 -0.91 -4.96 120.51 118.58 3gzb n ALA 55 Ca -0.01 -0.43 -0.27 0.00 0.00 0.00 0.00 53.44 52.73 3gzb n ALA 55 Cb 0.42 -1.03 -0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.27 -1.55 -4.23 0.00 5.15 0.56 -4.99 115.26 108.93 3gzb n ASN 56 Ca 0.07 -0.93 -0.33 0.00 -0.60 0.00 0.00 54.58 52.78 3gzb n ASN 56 Cb 0.34 -3.35 -0.16 0.00 -0.53 0.00 0.00 39.78 36.09 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 -6.49 3.15 -0.03 1.20 0.52 -0.66 -5.01 118.95 111.62 3gzb s ARG 57 Ca 0.20 -0.79 0.06 0.00 -0.52 0.00 0.00 55.73 54.68 3gzb s ARG 57 Cb -0.11 -2.55 -0.01 0.00 0.52 0.00 0.00 34.95 32.80 3gzb s ARG 57 CO 0.87 0.01 -0.20 0.21 0.02 0.00 0.00 175.30 176.21 3gzb s LYS 58 N 0.80 1.86 -0.04 3.54 2.20 -1.26 -0.91 119.74 125.93 3gzb s LYS 58 Ca -0.06 -0.72 0.02 0.00 -0.36 0.00 0.00 55.97 54.85 3gzb s LYS 58 Cb -0.15 -1.69 0.01 0.00 -1.51 0.00 0.00 37.83 34.48 3gzb s LYS 58 CO -0.00 0.37 -0.10 0.71 -0.36 0.00 0.00 175.35 175.96 3gzb s TYR 59 N -0.26 1.11 -0.10 4.03 2.02 -0.22 -5.02 117.35 118.91 3gzb s TYR 59 Ca 0.02 -0.31 0.01 0.00 -0.37 0.00 0.00 57.07 56.41 3gzb s TYR 59 Cb -0.10 -0.80 0.02 0.00 -0.40 0.00 0.00 41.96 40.68 3gzb s TYR 59 CO 0.01 -0.15 -0.11 0.99 -1.57 0.00 0.00 175.55 174.72 3gzb s THR 60 N 0.34 1.22 0.00 -0.71 2.01 -1.26 -0.46 115.64 116.78 3gzb s THR 60 Ca -0.06 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.48 3gzb s THR 60 Cb -0.11 -1.16 0.00 0.00 0.01 0.00 0.00 72.50 71.24 3gzb s THR 60 CO 0.01 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 3gzb n GLY 61 N 4.47 2.19 0.25 4.40 0.00 0.31 -4.58 105.19 112.23 3gzb n GLY 61 Ca -0.17 -1.59 0.02 0.00 0.00 0.00 0.00 46.02 44.27 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 0.69 0.46 -0.02 0.00 -1.83 -1.14 103.07 101.24 3gzb h GLY 62 Ca 0.00 0.09 0.09 0.00 0.00 0.00 0.00 47.33 47.51 3gzb h GLY 62 CO 0.00 -0.22 0.27 -0.09 0.00 0.00 0.00 176.54 176.50 3gzb h ARG 63 N 0.11 0.47 0.02 4.80 2.43 -1.92 -0.73 114.38 119.56 3gzb h ARG 63 Ca 0.34 -0.03 -0.22 0.00 -0.81 0.00 0.00 59.98 59.27 3gzb h ARG 63 Cb 0.57 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 3gzb h ARG 63 CO -0.57 0.31 -1.03 0.74 -1.51 0.00 0.00 179.97 177.91 3gzb h PHE 64 N 0.48 0.07 -0.23 2.20 0.04 -1.57 -1.68 116.94 116.26 3gzb h PHE 64 Ca 0.31 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.98 3gzb h PHE 64 Cb 0.34 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 3gzb h PHE 64 CO -0.14 1.04 -0.04 0.82 -0.60 0.00 0.00 178.31 179.38 3gzb h ILE 65 N 0.01 1.28 -0.47 -0.55 2.04 -1.06 -1.64 117.51 117.12 3gzb h ILE 65 Ca -0.03 -1.01 -0.13 0.00 1.00 0.00 0.00 64.86 64.69 3gzb h ILE 65 Cb 1.79 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 39.34 3gzb h ILE 65 CO 0.14 0.31 -0.22 0.40 0.00 0.00 0.00 178.15 178.78 3gzb h ILE 66 N 0.17 1.27 -0.68 -0.67 2.04 -1.12 -1.50 117.51 117.02 3gzb h ILE 66 Ca 0.06 -1.38 0.08 0.00 1.00 0.00 0.00 64.86 64.61 3gzb h ILE 66 Cb 0.49 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.65 3gzb h ILE 66 CO 0.02 0.48 0.35 0.44 0.00 0.00 0.00 178.15 179.44 3gzb h ASP 67 N 0.83 0.49 -0.21 1.72 3.32 -1.28 -1.15 116.42 120.14 3gzb h ASP 67 Ca 0.11 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3gzb h ASP 67 Cb 0.79 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 3gzb h ASP 67 CO 0.07 0.30 0.12 0.15 -1.72 0.00 0.00 179.24 178.16 3gzb h PHE 68 N 0.63 0.29 -0.82 4.55 3.57 -0.77 -2.30 116.94 122.09 3gzb h PHE 68 Ca 0.32 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.86 3gzb h PHE 68 Cb 0.27 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.87 3gzb h PHE 68 CO -0.10 0.24 0.52 -0.07 -2.23 0.00 0.00 178.31 176.68 3gzb h LEU 69 N 0.25 0.85 -0.84 0.59 3.38 -0.94 0.19 115.31 118.78 3gzb h LEU 69 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3gzb h LEU 69 Cb 0.04 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3gzb h LEU 69 CO -0.01 0.57 0.53 -0.33 0.09 0.00 0.00 178.44 179.29 3gzb h GLU 70 N 0.99 1.13 0.00 1.13 4.39 -1.03 -0.58 114.58 120.61 3gzb h GLU 70 Ca 0.34 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.95 3gzb h GLU 70 Cb 0.06 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.47 3gzb h GLU 70 CO -0.13 0.78 -0.00 0.00 -1.16 0.00 0.00 179.01 178.49 3gzb h ARG 71 N 1.15 -0.00 -0.84 2.33 3.08 -0.90 -2.82 114.38 116.38 3gzb h ARG 71 Ca 0.31 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.39 3gzb h ARG 71 Cb -0.08 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 29.92 3gzb h ARG 71 CO -0.06 0.53 0.55 0.00 -1.07 0.00 0.00 179.97 179.92 3gzb h ALA 72 N 0.46 1.48 -0.27 0.04 0.00 -0.50 -3.09 119.26 117.38 3gzb h ALA 72 Ca -0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3gzb h ALA 72 Cb 0.53 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3gzb h ALA 72 CO 0.00 0.44 -0.00 0.72 0.00 0.00 0.00 179.25 180.41 3gzb n HIS 73 N -4.45 0.95 -1.65 0.00 8.25 -0.24 -5.03 115.22 113.05 3gzb n HIS 73 Ca 0.11 -1.03 -0.49 0.00 -0.26 0.00 0.00 57.72 56.05 3gzb n HIS 73 Cb 0.11 -0.35 -0.05 0.00 1.12 0.00 0.00 29.99 30.82 3gzb n HIS 73 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gzb n GLN 74 N -0.69 1.75 -1.19 -0.41 -0.00 -1.06 -1.75 117.38 114.03 3gzb n GLN 74 Ca 0.24 0.63 -0.06 0.00 -0.00 0.00 0.00 57.00 57.81 3gzb n GLN 74 Cb 0.92 -2.36 -0.03 0.00 -0.00 0.00 0.00 30.24 28.77 3gzb n GLN 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3gzb n GLY 75 N 3.30 0.83 3.63 2.61 0.00 -1.26 -4.44 105.19 109.86 3gzb n GLY 75 Ca 0.19 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 3gzb n GLY 75 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3gzb n VAL 76 N -2.66 1.87 -0.04 1.61 3.14 -0.72 -4.41 118.33 117.12 3gzb n VAL 76 Ca -0.06 -0.47 -0.21 0.00 -2.96 0.00 0.00 64.34 60.64 3gzb n VAL 76 Cb 0.29 -1.19 -0.13 0.00 -1.06 0.00 0.00 33.84 31.75 3gzb n VAL 76 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3gzb n LEU 77 N 1.20 2.67 -3.71 6.55 4.32 0.51 -4.98 117.00 123.55 3gzb n LEU 77 Ca 0.09 0.13 -0.14 0.00 -0.02 0.00 0.00 56.01 56.07 3gzb n LEU 77 Cb 0.33 -1.05 -0.09 0.00 -1.62 0.00 0.00 43.42 40.99 3gzb n LEU 77 CO 0.61 0.83 0.15 -1.61 -1.22 0.00 0.00 177.39 176.16 3gzb s GLU 78 N -2.53 0.58 -0.18 3.23 2.02 -0.84 -5.00 118.70 115.98 3gzb s GLU 78 Ca -0.27 0.57 -0.09 0.00 0.02 0.00 0.00 54.97 55.20 3gzb s GLU 78 Cb 0.07 0.28 0.07 0.00 0.10 0.00 0.00 34.13 34.66 3gzb s GLU 78 CO 0.70 -0.09 0.43 -0.47 0.02 0.00 0.00 175.26 175.85 3gzb s TYR 79 N 0.05 -0.68 -0.00 1.61 5.04 -1.26 -0.85 117.35 121.27 3gzb s TYR 79 Ca -0.02 1.39 -0.14 0.00 -2.44 0.00 0.00 57.07 55.86 3gzb s TYR 79 Cb -0.03 0.30 0.02 0.00 0.35 0.00 0.00 41.96 42.59 3gzb s TYR 79 CO 0.01 -0.39 0.30 -0.51 -1.34 0.00 0.00 175.55 173.63 3gzb s ASP 80 N 1.73 -0.17 -0.35 4.32 1.01 -0.45 -4.80 116.67 117.96 3gzb s ASP 80 Ca -0.08 0.02 -0.06 0.00 0.71 0.00 0.00 52.55 53.14 3gzb s ASP 80 Cb -0.09 0.32 0.05 0.00 1.01 0.00 0.00 42.92 44.20 3gzb s ASP 80 CO -0.13 -0.48 0.12 0.12 0.21 0.00 0.00 175.17 175.00 3gzb s PHE 81 N -1.59 3.28 -0.51 4.23 5.36 -1.26 -0.75 117.98 126.73 3gzb s PHE 81 Ca -0.12 -1.52 -0.20 0.00 -0.96 0.00 0.00 56.93 54.14 3gzb s PHE 81 Cb -0.04 -2.38 0.06 0.00 -0.34 0.00 0.00 43.02 40.31 3gzb s PHE 81 CO 0.03 -0.76 0.66 -0.80 -1.46 0.00 0.00 175.22 172.89 3gzb s ASN 82 N 1.49 6.24 -0.20 6.13 0.02 0.12 -4.95 114.94 123.79 3gzb s ASN 82 Ca -0.01 -0.84 -0.29 0.00 -1.02 0.00 0.00 52.86 50.70 3gzb s ASN 82 Cb -0.20 -2.31 0.00 0.00 0.02 0.00 0.00 41.25 38.77 3gzb s ASN 82 CO 0.02 -0.93 1.02 -0.63 0.02 0.00 0.00 177.10 176.60 3gzb s ILE 83 N 2.78 4.71 -0.07 0.60 1.01 -1.26 -1.49 121.20 127.49 3gzb s ILE 83 Ca 0.17 2.01 0.04 0.00 0.00 0.00 0.00 60.65 62.88 3gzb s ILE 83 Cb -0.18 -4.30 -0.24 0.00 0.01 0.00 0.00 42.46 37.74 3gzb s ILE 83 CO 0.13 -0.13 0.56 -0.33 0.00 0.00 0.00 174.94 175.16 3gzb h GLU 84 N 7.37 0.12 -3.39 2.79 5.08 -1.01 -3.48 114.58 122.06 3gzb h GLU 84 Ca -0.22 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 57.89 3gzb h GLU 84 Cb 1.08 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 3gzb h GLU 84 CO 0.95 0.81 0.06 -1.58 -1.00 0.00 0.00 179.01 178.24 3gzb s HIS 85 N -2.58 0.27 0.00 4.33 5.04 -0.82 -5.02 115.29 116.52 3gzb s HIS 85 Ca -0.12 -0.72 0.00 0.00 -1.54 0.00 0.00 55.06 52.68 3gzb s HIS 85 Cb 0.07 0.45 0.00 0.00 0.04 0.00 0.00 32.58 33.14 3gzb s HIS 85 CO 0.80 -1.23 0.00 2.48 -2.34 0.00 0.00 174.74 174.45 3gzb n TYR 87 N -0.47 0.00 -3.83 3.88 4.11 -0.62 -0.45 117.16 119.78 3gzb n TYR 87 Ca -0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.75 3gzb n TYR 87 Cb 0.61 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.85 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 -0.06 -0.34 9.48 4.22 -1.26 -0.54 114.94 126.44 3gzb s ASN 88 Ca 0.00 -0.07 0.03 0.00 -2.14 0.00 0.00 52.86 50.69 3gzb s ASN 88 Cb 0.00 0.26 0.10 0.00 1.28 0.00 0.00 41.25 42.89 3gzb s ASN 88 CO 0.00 -0.37 0.05 0.00 -2.04 0.00 0.00 177.10 174.74 3gzb s ALA 89 N -1.25 2.75 0.00 3.54 0.00 -0.07 -5.01 121.76 121.72 3gzb s ALA 89 Ca -0.13 -2.43 0.00 0.00 0.00 0.00 0.00 51.96 49.40 3gzb s ALA 89 Cb -0.06 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.13 3gzb s ALA 89 CO 0.02 -1.68 0.00 0.41 0.00 0.00 0.00 175.76 174.51 3gzb n GLY 90 N 4.32 3.30 0.27 0.00 0.00 -1.26 -1.75 105.19 110.07 3gzb n GLY 90 Ca 0.03 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 3.84 0.79 -4.54 1.61 3.41 -1.26 -4.66 113.62 112.81 3gzb n SER 91 Ca 0.00 -1.82 -0.41 0.00 -0.26 0.00 0.00 58.87 56.38 3gzb n SER 91 Cb 0.00 -0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 63.77 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 -1.23 4.48 -0.14 1.04 2.96 -0.72 -0.94 118.68 124.13 3gzb s LEU 92 Ca 0.18 -0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 53.74 3gzb s LEU 92 Cb 0.09 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 3gzb s LEU 92 CO 0.14 -0.29 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.14 3gzb s VAL 93 N 1.88 3.87 0.52 1.68 1.01 -0.13 -0.89 120.40 128.34 3gzb s VAL 93 Ca 0.09 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.72 3gzb s VAL 93 Cb -0.17 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.53 3gzb s VAL 93 CO 0.11 0.51 0.10 -0.69 0.00 0.00 0.00 175.10 175.13 3gzb s VAL 94 N 0.17 1.25 -0.29 2.92 1.01 0.30 -0.89 120.40 124.87 3gzb s VAL 94 Ca -0.02 -1.87 -0.16 0.00 0.00 0.00 0.00 61.98 59.93 3gzb s VAL 94 Cb -0.14 -2.13 0.15 0.00 0.00 0.00 0.00 36.38 34.26 3gzb s VAL 94 CO 0.03 0.00 0.96 -0.63 0.00 0.00 0.00 175.10 175.46 3gzb s ILE 96 N -2.86 -0.16 0.00 2.22 1.01 0.40 -1.58 121.20 120.23 3gzb s ILE 96 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.77 3gzb s ILE 96 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.47 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 4.11 1.69 2.97 6.18 0.00 -0.22 -0.29 105.19 119.63 3gzb n GLY 97 Ca -0.16 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 3gzb n GLY 97 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gzb s ASN 98 N 2.00 -0.11 -0.25 1.61 3.84 -0.55 -0.94 114.94 120.54 3gzb s ASN 98 Ca 0.00 0.39 -0.16 0.00 0.21 0.00 0.00 52.86 53.30 3gzb s ASN 98 Cb 0.00 0.28 -0.03 0.00 -0.55 0.00 0.00 41.25 40.95 3gzb s ASN 98 CO 0.00 -0.16 0.43 -0.31 -2.79 0.00 0.00 177.10 174.26 3gzb s TYR 99 N 1.30 3.29 -0.26 0.43 2.02 -0.20 -0.70 117.35 123.22 3gzb s TYR 99 Ca -0.08 0.54 -0.10 0.00 -0.37 0.00 0.00 57.07 57.06 3gzb s TYR 99 Cb -0.11 -2.61 -0.04 0.00 -0.40 0.00 0.00 41.96 38.80 3gzb s TYR 99 CO -0.07 -0.18 0.15 -1.58 -1.57 0.00 0.00 175.55 172.30 3gzb s HIS 100 N 1.92 3.21 -0.07 2.71 5.65 0.07 -0.38 115.29 128.40 3gzb s HIS 100 Ca 0.18 0.01 0.02 0.00 0.25 0.00 0.00 55.06 55.52 3gzb s HIS 100 Cb -0.15 -2.32 0.02 0.00 -1.18 0.00 0.00 32.58 28.95 3gzb s HIS 100 CO 0.09 -0.15 -0.11 0.12 -0.65 0.00 0.00 174.74 174.04 3gzb s PHE 101 N 1.55 1.42 -0.11 3.88 5.36 -0.47 -1.35 117.98 128.26 3gzb s PHE 101 Ca 0.07 -0.55 0.01 0.00 -0.96 0.00 0.00 56.93 55.50 3gzb s PHE 101 Cb -0.15 -1.07 0.02 0.00 -0.34 0.00 0.00 43.02 41.47 3gzb s PHE 101 CO 0.08 -0.31 -0.14 0.21 -1.46 0.00 0.00 175.22 173.59 3gzb s LYS 102 N 0.87 2.12 -0.03 10.12 2.20 -0.03 -0.88 119.74 134.11 3gzb s LYS 102 Ca -0.11 -0.51 -0.28 0.00 -0.36 0.00 0.00 55.97 54.71 3gzb s LYS 102 Cb -0.15 -1.86 0.09 0.00 -1.51 0.00 0.00 37.83 34.40 3gzb s LYS 102 CO 0.01 -0.12 1.26 0.41 -0.36 0.00 0.00 175.35 176.56 3gzb n GLY 103 N 4.38 0.21 3.70 5.54 0.00 -0.78 -0.37 105.19 117.86 3gzb n GLY 103 Ca -0.18 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.91 1.94 0.00 1.61 -0.02 -1.26 -0.81 135.00 135.54 3gzb n PRO 104 Ca 0.05 0.69 0.12 0.00 -2.02 0.00 0.00 63.50 62.33 3gzb n PRO 104 Cb 0.56 -2.35 0.18 0.00 -0.02 0.00 0.00 33.50 31.88 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 0.82 -0.69 0.25 -1.23 0.00 0.04 -4.59 105.19 99.80 3gzb n GLY 105 Ca 0.06 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.57 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 0.98 -0.09 0.00 1.61 3.07 -1.81 0.33 114.58 118.66 3gzb h GLU 106 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3gzb h GLU 106 Cb 0.56 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 3gzb h GLU 106 CO 0.00 -0.06 0.00 -0.56 -1.40 0.00 0.00 179.01 176.99 3gzb h GLN 107 N -0.10 0.00 -0.49 2.33 3.07 -1.92 -2.52 115.11 115.49 3gzb h GLN 107 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.96 3gzb h GLN 107 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.00 3gzb h GLN 107 CO -0.53 0.00 0.00 1.19 0.09 0.00 0.00 178.83 179.58 3gzb n PHE 108 N -2.65 0.69 -1.19 0.06 3.01 0.89 -4.90 117.46 113.36 3gzb n PHE 108 Ca 0.02 -0.31 -0.01 0.00 1.01 0.00 0.00 57.45 58.16 3gzb n PHE 108 Cb 0.33 -0.06 -0.00 0.00 -0.01 0.00 0.00 39.48 39.74 3gzb n PHE 108 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gzb n GLY 109 N 1.06 0.44 2.45 1.37 0.00 -0.93 -4.99 105.19 104.58 3gzb n GLY 109 Ca 0.15 -1.01 -0.23 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.67 1.87 -1.74 1.61 4.76 0.34 -4.99 118.16 117.34 3gzb n LYS 110 Ca -0.01 -4.02 -0.39 0.00 -2.87 0.00 0.00 58.31 51.02 3gzb n LYS 110 Cb 0.11 -1.86 0.03 0.00 -1.84 0.00 0.00 35.03 31.47 3gzb n LYS 110 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3gzb n PRO 111 N 0.46 1.94 -0.93 1.97 -0.04 -1.26 -2.47 135.00 134.67 3gzb n PRO 111 Ca 0.27 0.70 0.00 0.00 -0.04 0.00 0.00 63.50 64.43 3gzb n PRO 111 Cb 0.51 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 3gzb n PRO 111 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gzb n GLY 112 N 0.70 0.52 3.48 0.55 0.00 -1.26 -4.92 105.19 104.26 3gzb n GLY 112 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.44 1.71 -0.25 1.61 1.02 -1.03 -5.03 119.74 117.32 3gzb s LYS 113 Ca 0.00 -1.65 -0.12 0.00 0.02 0.00 0.00 55.97 54.21 3gzb s LYS 113 Cb 0.00 -1.84 -0.05 0.00 -0.52 0.00 0.00 37.83 35.43 3gzb s LYS 113 CO 0.00 0.36 0.25 0.42 -0.92 0.00 0.00 175.35 175.46 3gzb s ILE 114 N -2.24 5.28 0.34 2.17 -1.09 -1.26 -0.78 121.20 123.62 3gzb s ILE 114 Ca 0.27 0.34 0.03 0.00 -2.23 0.00 0.00 60.65 59.07 3gzb s ILE 114 Cb -0.06 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 37.21 3gzb s ILE 114 CO 0.14 0.27 0.50 0.27 -1.23 0.00 0.00 174.94 174.89 3gzb s ILE 115 N 1.48 4.71 -0.20 2.92 -5.25 0.01 -4.91 121.20 119.95 3gzb s ILE 115 Ca 0.11 -0.73 -0.04 0.00 -0.99 0.00 0.00 60.65 59.00 3gzb s ILE 115 Cb -0.15 -3.69 0.10 0.00 2.95 0.00 0.00 42.46 41.67 3gzb s ILE 115 CO 0.08 -0.37 0.25 -0.62 -1.79 0.00 0.00 174.94 172.49 3gzb s ASP 116 N -4.09 1.05 0.08 4.36 -1.08 -1.26 -1.86 116.67 113.88 3gzb s ASP 116 Ca 0.41 -0.04 0.06 0.00 -0.52 0.00 0.00 52.55 52.46 3gzb s ASP 116 Cb -0.09 0.54 -0.03 0.00 -1.46 0.00 0.00 42.92 41.87 3gzb s ASP 116 CO 0.33 -0.31 -0.15 0.68 0.52 0.00 0.00 175.17 176.24 3gzb s VAL 117 N 2.37 1.22 -0.25 1.11 -7.23 -0.06 -4.93 120.40 112.64 3gzb s VAL 117 Ca 0.07 -1.41 -0.02 0.00 -1.81 0.00 0.00 61.98 58.81 3gzb s VAL 117 Cb -0.15 -1.21 0.08 0.00 0.56 0.00 0.00 36.38 35.66 3gzb s VAL 117 CO -0.12 -0.24 0.07 0.00 -0.31 0.00 0.00 175.10 174.50 3gzb s ALA 118 N -1.41 1.21 -0.25 1.32 0.00 -1.26 -1.37 121.76 120.01 3gzb s ALA 118 Ca 0.01 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 50.78 3gzb s ALA 118 Cb -0.09 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.64 3gzb s ALA 118 CO 0.03 -1.42 -0.01 0.42 0.00 0.00 0.00 175.76 174.77 3gzb s ILE 119 N 1.77 3.43 0.46 0.00 1.01 0.49 -4.89 121.20 123.47 3gzb s ILE 119 Ca 0.04 -0.65 -0.24 0.00 0.00 0.00 0.00 60.65 59.80 3gzb s ILE 119 Cb -0.17 -2.65 -0.08 0.00 0.01 0.00 0.00 42.46 39.56 3gzb s ILE 119 CO -0.18 0.29 1.25 -2.65 0.00 0.00 0.00 174.94 173.65 3gzb n PRO 120 N 4.79 1.77 -3.48 2.79 -0.02 -1.26 -1.04 135.00 138.54 3gzb n PRO 120 Ca -0.17 0.64 -0.13 0.00 -2.02 0.00 0.00 63.50 61.82 3gzb n PRO 120 Cb 0.49 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 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 -1.25 -1.73 -0.08 3.55 0.00 -0.11 -1.27 121.76 120.87 3gzb s ALA 121 Ca 0.65 0.96 0.05 0.00 0.00 0.00 0.00 51.96 53.61 3gzb s ALA 121 Cb -0.48 0.36 -0.00 0.00 0.00 0.00 0.00 23.12 23.00 3gzb s ALA 121 CO 0.55 -0.59 -0.23 0.08 0.00 0.00 0.00 175.76 175.58 3gzb s VAL 122 N -2.59 1.93 -0.10 0.00 1.01 -0.46 -1.06 120.40 119.12 3gzb s VAL 122 Ca -0.02 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.01 3gzb s VAL 122 Cb -0.01 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.73 3gzb s VAL 122 CO -0.04 0.53 -0.16 -0.89 0.00 0.00 0.00 175.10 174.54 3gzb s THR 123 N 0.15 1.54 0.00 3.92 2.01 -1.26 -0.71 115.64 121.29 3gzb s THR 123 Ca -0.12 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.27 3gzb s THR 123 Cb -0.16 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 3gzb s THR 123 CO 0.06 0.45 -0.19 -0.94 -0.69 0.00 0.00 174.62 173.31 3gzb s SER 124 N 0.84 3.70 -0.08 3.53 1.04 -0.16 -4.49 113.70 118.08 3gzb s SER 124 Ca -0.10 -0.37 0.03 0.00 0.48 0.00 0.00 55.95 56.00 3gzb s SER 124 Cb -0.15 -0.62 0.01 0.00 0.10 0.00 0.00 66.02 65.35 3gzb s SER 124 CO 0.01 0.29 -0.19 -0.76 0.98 0.00 0.00 173.24 173.57 3gzb s LEU 125 N -1.07 1.90 -0.27 2.42 1.43 -0.07 -0.88 118.68 122.15 3gzb s LEU 125 Ca 0.13 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 3gzb s LEU 125 Cb -0.10 -1.16 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 3gzb s LEU 125 CO 0.03 0.11 0.17 -0.75 0.23 0.00 0.00 176.35 176.14 3gzb s LYS 126 N 0.47 3.97 -0.01 1.70 2.47 0.09 -0.96 119.74 127.47 3gzb s LYS 126 Ca -0.17 -0.31 0.00 0.00 -1.56 0.00 0.00 55.97 53.93 3gzb s LYS 126 Cb -0.17 -3.61 -0.04 0.00 -1.46 0.00 0.00 37.83 32.56 3gzb s LYS 126 CO 0.07 -0.11 0.04 -0.51 0.16 0.00 0.00 175.35 175.00 3gzb s LEU 127 N 1.54 3.72 0.39 5.43 1.43 -0.12 -0.96 118.68 130.11 3gzb s LEU 127 Ca 0.07 0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.33 3gzb s LEU 127 Cb -0.15 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.93 3gzb s LEU 127 CO 0.09 0.28 0.53 -0.62 0.23 0.00 0.00 176.35 176.86 3gzb s ASP 128 N -1.61 5.78 0.00 2.29 -1.08 0.35 -4.82 116.67 117.57 3gzb s ASP 128 Ca 0.21 -0.32 0.00 0.00 -0.52 0.00 0.00 52.55 51.92 3gzb s ASP 128 Cb -0.12 -0.89 0.00 0.00 -1.46 0.00 0.00 42.92 40.46 3gzb s ASP 128 CO 0.12 -0.64 0.00 0.18 0.52 0.00 0.00 175.17 175.35 3gzb n LEU 130 N -1.78 0.00 -0.18 -1.34 4.77 -1.26 -0.55 117.00 116.67 3gzb n LEU 130 Ca 0.05 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.18 3gzb n LEU 130 Cb 0.59 0.00 0.69 0.00 -2.33 0.00 0.00 43.42 42.36 3gzb n LEU 130 CO 0.40 0.00 0.94 0.59 -1.33 0.00 0.00 177.39 177.99 3gzb n ASN 131 N 0.00 0.60 -3.80 -1.43 3.02 -1.26 -4.94 115.26 107.44 3gzb n ASN 131 Ca 0.00 -0.94 -0.28 0.00 -0.03 0.00 0.00 54.58 53.33 3gzb n ASN 131 Cb 0.00 -0.03 0.02 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.68 -2.43 -4.35 3.52 1.74 0.28 -4.96 116.66 109.79 3gzb n ARG 132 Ca 0.18 0.44 -0.24 0.00 -0.77 0.00 0.00 57.85 57.47 3gzb n ARG 132 Cb 0.25 -4.36 -0.13 0.00 -1.02 0.00 0.00 32.46 27.20 3gzb n ARG 132 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3gzb s ARG 133 N -6.24 1.14 -0.34 5.56 0.52 -0.62 -4.31 118.95 114.66 3gzb s ARG 133 Ca 0.23 -1.08 -0.17 0.00 -0.52 0.00 0.00 55.73 54.20 3gzb s ARG 133 Cb -0.09 -1.34 -0.01 0.00 0.52 0.00 0.00 34.95 34.04 3gzb s ARG 133 CO 0.87 0.32 0.47 0.08 0.02 0.00 0.00 175.30 177.06 3gzb s VAL 134 N -1.08 5.06 -0.04 3.52 1.01 0.47 -0.50 120.40 128.84 3gzb s VAL 134 Ca 0.06 0.30 0.10 0.00 0.00 0.00 0.00 61.98 62.43 3gzb s VAL 134 Cb -0.10 -3.91 -0.23 0.00 0.00 0.00 0.00 36.38 32.14 3gzb s VAL 134 CO 0.03 -0.16 0.67 0.71 0.00 0.00 0.00 175.10 176.36 3gzb h THR 135 N 5.58 0.88 -3.04 3.92 1.35 -1.33 -3.43 112.91 116.84 3gzb h THR 135 Ca -0.28 -2.71 -0.23 0.00 -0.55 0.00 0.00 66.41 62.64 3gzb h THR 135 Cb 1.13 2.46 -0.32 0.00 -1.73 0.00 0.00 68.15 69.70 3gzb h THR 135 CO 0.75 0.57 -0.54 -1.61 -0.25 0.00 0.00 175.52 174.43 3gzb s GLU 136 N -2.60 0.14 -0.23 4.72 2.02 -1.18 -1.41 118.70 120.16 3gzb s GLU 136 Ca -0.06 0.56 0.02 0.00 0.02 0.00 0.00 54.97 55.51 3gzb s GLU 136 Cb 0.08 -0.14 0.04 0.00 0.10 0.00 0.00 34.13 34.22 3gzb s GLU 136 CO 0.82 -0.22 -0.15 -1.58 0.02 0.00 0.00 175.26 174.16 3gzb s HIS 137 N 1.71 3.06 -0.15 1.61 5.65 0.22 -0.73 115.29 126.66 3gzb s HIS 137 Ca -0.05 -2.01 0.00 0.00 0.25 0.00 0.00 55.06 53.26 3gzb s HIS 137 Cb -0.11 -1.93 -0.00 0.00 -1.18 0.00 0.00 32.58 29.35 3gzb s HIS 137 CO -0.08 -0.84 -0.16 0.08 -0.65 0.00 0.00 174.74 173.09 3gzb s VAL 138 N 1.19 2.62 -0.15 0.89 1.01 -0.05 -0.59 120.40 125.32 3gzb s VAL 138 Ca -0.03 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 3gzb s VAL 138 Cb -0.17 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3gzb s VAL 138 CO -0.08 0.52 0.02 -1.81 0.00 0.00 0.00 175.10 173.75 3gzb s ASP 139 N 0.82 5.34 -0.36 3.32 1.01 -0.16 -0.99 116.67 125.66 3gzb s ASP 139 Ca -0.05 0.06 0.04 0.00 0.71 0.00 0.00 52.55 53.30 3gzb s ASP 139 Cb -0.15 -1.80 0.10 0.00 1.01 0.00 0.00 42.92 42.08 3gzb s ASP 139 CO -0.00 0.23 0.07 -0.76 0.21 0.00 0.00 175.17 174.92 3gzb s LEU 140 N -0.01 4.58 -0.11 1.23 1.43 0.11 -1.59 118.68 124.32 3gzb s LEU 140 Ca 0.04 -2.21 -0.02 0.00 -1.03 0.00 0.00 54.13 50.90 3gzb s LEU 140 Cb -0.13 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 3gzb s LEU 140 CO 0.02 -0.37 -0.01 -0.63 0.23 0.00 0.00 176.35 175.59 3gzb s ILE 141 N 0.83 4.19 -1.25 -0.59 -1.09 -1.26 -1.36 121.20 120.67 3gzb s ILE 141 Ca 0.12 -0.28 -0.15 0.00 -2.23 0.00 0.00 60.65 58.11 3gzb s ILE 141 Cb -0.20 -2.78 0.13 0.00 -1.58 0.00 0.00 42.46 38.03 3gzb s ILE 141 CO -0.08 0.57 1.59 -0.67 -1.23 0.00 0.00 174.94 175.11 3gzb n ASP 142 N 2.58 5.08 0.21 3.58 2.03 -0.39 -4.81 116.55 124.83 3gzb n ASP 142 Ca -0.18 -2.96 0.05 0.00 0.52 0.00 0.00 54.79 52.21 3gzb n ASP 142 Cb 0.53 -1.63 0.45 0.00 -0.72 0.00 0.00 41.12 39.75 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 7.16 0.00 -0.76 -0.67 0.05 -1.96 -2.80 116.97 117.99 3gzb h TYR 143 Ca 0.37 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 59.11 3gzb h TYR 143 Cb 0.85 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.56 3gzb h TYR 143 CO 1.23 0.27 0.30 0.37 -1.05 0.00 0.00 178.16 179.28 3gzb h GLN 144 N 0.00 1.13 -1.60 4.88 5.75 -2.00 0.87 115.11 124.14 3gzb h GLN 144 Ca -0.00 -0.20 0.00 0.00 -0.15 0.00 0.00 58.65 58.30 3gzb h GLN 144 Cb 0.50 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.87 3gzb h GLN 144 CO 0.04 0.92 0.00 2.41 -2.65 0.00 0.00 178.83 179.54 3gzb n THR 145 N -4.28 0.18 0.00 2.39 -1.04 -1.06 -1.02 114.28 109.46 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 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 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 0.84 0.00 -0.27 8.00 2.88 0.30 -1.54 113.62 123.82 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 0.10 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.62 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 0.87 -0.37 -3.46 3.32 -1.34 -1.14 116.42 114.31 3gzb h ASP 148 Ca 0.00 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 3gzb h ASP 148 Cb 0.00 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3gzb h ASP 148 CO 0.00 0.65 -0.05 1.56 -1.72 0.00 0.00 179.24 179.69 3gzb h GLN 149 N 1.02 0.68 -0.01 3.56 4.20 -1.55 -2.99 115.11 120.02 3gzb h GLN 149 Ca 0.27 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3gzb h GLN 149 Cb -0.09 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 3gzb h GLN 149 CO -0.06 0.81 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.66 3gzb h LEU 150 N 0.49 0.02 -3.62 1.46 3.38 -1.76 -3.27 115.31 112.01 3gzb h LEU 150 Ca 0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3gzb h LEU 150 Cb 0.54 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3gzb h LEU 150 CO 0.03 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.76 3gzb n ALA 151 N -2.50 2.00 0.00 1.53 0.00 -0.46 -5.10 120.51 115.98 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 0.25 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 17.99 3gzb n ALA 151 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54