#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 2.61 0.39 3.44 0.02 -1.26 -5.16 135.00 135.03 3gzb s PRO 19 Ca 0.00 -0.75 0.08 0.00 0.02 0.00 0.00 61.00 60.35 3gzb s PRO 19 Cb 0.00 -2.56 0.83 0.00 0.02 0.00 0.00 34.50 32.79 3gzb s PRO 19 CO 0.00 0.58 1.98 1.96 -0.33 0.00 0.00 177.00 181.19 3gzb h GLN 20 N 3.96 0.62 -0.53 5.54 1.08 -2.00 -1.23 115.11 122.56 3gzb h GLN 20 Ca -0.48 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 56.65 3gzb h GLN 20 Cb 1.17 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.44 3gzb h GLN 20 CO 0.57 0.41 0.20 0.93 -0.95 0.00 0.00 178.83 180.00 3gzb h GLU 21 N 0.64 0.81 -0.65 1.46 3.07 -2.00 -1.33 114.58 116.58 3gzb h GLU 21 Ca 0.28 -0.15 -0.05 0.00 -0.50 0.00 0.00 59.36 58.94 3gzb h GLU 21 Cb 0.28 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.04 3gzb h GLU 21 CO -0.09 0.71 0.20 1.96 -1.40 0.00 0.00 179.01 180.40 3gzb h GLN 22 N 0.73 1.01 -0.77 2.33 4.20 -1.73 -1.88 115.11 119.00 3gzb h GLN 22 Ca 0.18 -0.22 0.01 0.00 0.06 0.00 0.00 58.65 58.68 3gzb h GLN 22 Cb 0.22 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 3gzb h GLN 22 CO -0.01 0.89 0.51 1.96 -0.67 0.00 0.00 178.83 181.51 3gzb h GLN 23 N 0.94 1.01 -0.51 1.46 4.20 -0.99 -0.51 115.11 120.72 3gzb h GLN 23 Ca 0.21 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 3gzb h GLN 23 Cb 0.30 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3gzb h GLN 23 CO -0.01 0.67 0.13 1.25 -0.67 0.00 0.00 178.83 180.20 3gzb h LEU 24 N 1.04 0.76 -0.89 1.46 5.85 -1.16 -1.72 115.31 120.67 3gzb h LEU 24 Ca 0.29 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.80 3gzb h LEU 24 Cb -0.11 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.67 3gzb h LEU 24 CO -0.07 0.79 0.58 0.00 -0.34 0.00 0.00 178.44 179.41 3gzb h ALA 25 N 1.00 1.14 -0.59 1.25 0.00 -0.89 -0.58 119.26 120.59 3gzb h ALA 25 Ca 0.16 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3gzb h ALA 25 Cb 0.32 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3gzb h ALA 25 CO 0.00 0.49 0.04 0.28 0.00 0.00 0.00 179.25 180.06 3gzb h VAL 26 N 1.17 1.26 -0.54 0.00 2.07 -0.89 -2.90 116.25 116.42 3gzb h VAL 26 Ca 0.33 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.79 3gzb h VAL 26 Cb -0.09 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3gzb h VAL 26 CO -0.09 0.40 0.33 0.50 0.02 0.00 0.00 177.57 178.73 3gzb h LYS 27 N 0.91 0.64 -0.11 1.57 3.64 -0.92 0.72 116.57 123.02 3gzb h LYS 27 Ca 0.17 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3gzb h LYS 27 Cb 0.51 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3gzb h LYS 27 CO 0.02 0.42 0.00 0.98 -2.27 0.00 0.00 179.45 178.61 3gzb n TYR 28 N -4.77 0.00 0.00 1.91 9.36 -0.26 -1.60 117.16 121.80 3gzb n TYR 28 Ca 0.04 -0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.26 3gzb n TYR 28 Cb 0.07 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 38.77 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 0.48 0.00 -0.22 2.98 8.00 0.25 -1.09 116.55 126.95 3gzb n ASP 30 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.44 3gzb n ASP 30 Cb 0.01 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.15 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 0.79 0.05 2.24 0.00 -1.54 -1.10 119.26 119.70 3gzb h ALA 31 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gzb h ALA 31 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3gzb h ALA 31 CO 0.00 0.23 -0.03 1.25 0.00 0.00 0.00 179.25 180.71 3gzb h LEU 32 N 0.84 -0.06 -0.89 0.00 6.46 -1.38 0.13 115.31 120.41 3gzb h LEU 32 Ca 0.23 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.88 3gzb h LEU 32 Cb -0.07 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 39.87 3gzb h LEU 32 CO -0.05 0.04 -0.13 0.71 -0.62 0.00 0.00 178.44 178.39 3gzb h THR 33 N -0.15 0.29 0.00 1.05 1.35 -1.79 -2.08 112.91 111.57 3gzb h THR 33 Ca -0.01 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 3gzb h THR 33 Cb 0.13 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 3gzb h THR 33 CO 0.01 0.13 -0.43 -0.62 -0.25 0.00 0.00 175.52 174.37 3gzb n GLU 34 N -3.22 0.01 -3.80 4.72 1.02 -0.43 -4.70 120.64 114.24 3gzb n GLU 34 Ca 0.01 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.89 3gzb n GLU 34 Cb 0.44 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.39 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 -1.52 -2.28 -2.55 -0.32 8.25 -0.66 -4.91 115.22 111.23 3gzb n HIS 35 Ca 0.06 0.91 -0.43 0.00 -0.26 0.00 0.00 57.72 57.99 3gzb n HIS 35 Cb 0.34 -4.27 0.00 0.00 1.12 0.00 0.00 29.99 27.18 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 -2.93 4.89 0.19 0.41 2.03 -0.06 -4.83 116.55 116.27 3gzb n ASP 36 Ca -0.06 -2.92 0.04 0.00 0.52 0.00 0.00 54.79 52.37 3gzb n ASP 36 Cb 0.57 -1.72 0.39 0.00 -0.72 0.00 0.00 41.12 39.64 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 7.39 0.00 -0.65 -0.67 0.05 -1.91 0.27 116.97 121.45 3gzb h TYR 37 Ca 0.44 0.00 0.02 0.00 0.05 0.00 0.00 58.73 59.25 3gzb h TYR 37 Cb 0.85 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.55 3gzb h TYR 37 CO 1.40 0.36 0.41 -0.22 -1.05 0.00 0.00 178.16 179.06 3gzb h LYS 38 N 0.00 0.79 -0.03 4.88 3.64 -1.97 -0.50 116.57 123.37 3gzb h LYS 38 Ca -0.00 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.15 3gzb h LYS 38 Cb 0.70 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.35 3gzb h LYS 38 CO 0.05 0.52 -0.68 1.15 -2.27 0.00 0.00 179.45 178.22 3gzb h THR 39 N 0.81 1.37 -0.54 1.00 2.02 -1.86 -3.35 112.91 112.37 3gzb h THR 39 Ca 0.26 -2.05 0.00 0.00 0.77 0.00 0.00 66.41 65.39 3gzb h THR 39 Cb -0.01 2.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.79 3gzb h THR 39 CO -0.09 0.61 0.34 0.25 0.37 0.00 0.00 175.52 177.01 3gzb h LEU 40 N 0.09 0.63 -2.50 2.58 5.85 -0.58 -2.14 115.31 119.25 3gzb h LEU 40 Ca -0.08 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 3gzb h LEU 40 Cb 1.36 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 3gzb h LEU 40 CO 0.14 0.48 -0.02 -0.29 -0.34 0.00 0.00 178.44 178.40 3gzb h ILE 41 N 0.73 0.33 0.00 4.05 6.09 -1.23 -0.83 117.51 126.65 3gzb h ILE 41 Ca 0.20 -0.13 -0.00 0.00 -1.37 0.00 0.00 64.86 63.56 3gzb h ILE 41 Cb -0.05 1.09 -0.00 0.00 0.47 0.00 0.00 36.82 38.33 3gzb h ILE 41 CO -0.04 0.02 -0.01 0.71 -3.07 0.00 0.00 178.15 175.76 3gzb h THR 42 N 0.00 0.11 -0.01 2.19 1.35 -1.52 -1.88 112.91 113.15 3gzb h THR 42 Ca -0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 3gzb h THR 42 Cb 0.09 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 3gzb h THR 42 CO 0.00 0.01 -0.21 0.49 -0.25 0.00 0.00 175.52 175.56 3gzb n PHE 43 N -3.21 0.00 -4.54 4.73 3.72 -0.32 -4.69 117.46 113.15 3gzb n PHE 43 Ca -0.02 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.10 3gzb n PHE 43 Cb 0.13 -0.13 -0.13 0.00 -0.94 0.00 0.00 39.48 38.41 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 -2.47 2.15 0.17 1.38 2.02 -0.71 -0.34 117.35 119.55 3gzb s TYR 44 Ca 0.26 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.57 3gzb s TYR 44 Cb 0.19 -1.21 -0.00 0.00 -0.40 0.00 0.00 41.96 40.54 3gzb s TYR 44 CO 0.50 0.23 0.02 0.27 -1.57 0.00 0.00 175.55 175.00 3gzb n ASN 45 N 1.29 1.89 0.23 2.29 0.23 -1.26 -4.83 115.26 115.10 3gzb n ASN 45 Ca -0.18 -1.80 0.16 0.00 -0.53 0.00 0.00 54.58 52.23 3gzb n ASN 45 Cb 0.53 0.23 0.79 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 -0.01 -3.83 0.11 -1.94 -2.35 114.38 106.36 3gzb h ARG 46 Ca -0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.94 3gzb h ARG 46 Cb 0.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.53 3gzb h ARG 46 CO 0.22 0.00 -0.65 -0.25 0.10 0.00 0.00 179.97 179.39 3gzb n ASP 47 N -2.64 1.24 -4.72 0.08 8.00 -1.26 -3.15 116.55 114.10 3gzb n ASP 47 Ca -0.01 -1.02 -0.42 0.00 0.71 0.00 0.00 54.79 54.05 3gzb n ASP 47 Cb 0.12 0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 41.79 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 -2.77 6.67 -0.18 -2.24 0.01 -0.89 -4.73 113.70 109.58 3gzb s SER 48 Ca 0.14 2.54 -0.05 0.00 1.31 0.00 0.00 55.95 59.89 3gzb s SER 48 Cb 0.17 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 3gzb s SER 48 CO 0.70 -0.75 -0.01 -0.63 0.41 0.00 0.00 173.24 172.97 3gzb s ILE 49 N 0.90 4.03 -0.26 1.44 1.01 -0.58 -0.52 121.20 127.22 3gzb s ILE 49 Ca 0.66 -0.30 -0.07 0.00 0.00 0.00 0.00 60.65 60.95 3gzb s ILE 49 Cb -0.41 -2.80 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 3gzb s ILE 49 CO 0.33 0.46 0.07 0.12 0.00 0.00 0.00 174.94 175.92 3gzb s PHE 50 N 0.68 3.09 -0.20 3.97 2.19 0.28 -0.42 117.98 127.56 3gzb s PHE 50 Ca -0.00 -0.56 -0.00 0.00 0.33 0.00 0.00 56.93 56.69 3gzb s PHE 50 Cb -0.14 -2.24 0.05 0.00 -1.31 0.00 0.00 43.02 39.38 3gzb s PHE 50 CO 0.02 -0.41 -0.04 0.12 1.83 0.00 0.00 175.22 176.73 3gzb s PHE 51 N 1.59 1.97 -0.75 10.12 5.36 0.27 -0.92 117.98 135.62 3gzb s PHE 51 Ca 0.06 -1.39 -0.21 0.00 -0.96 0.00 0.00 56.93 54.43 3gzb s PHE 51 Cb -0.15 -1.42 0.09 0.00 -0.34 0.00 0.00 43.02 41.20 3gzb s PHE 51 CO 0.03 -0.70 1.02 0.34 -1.46 0.00 0.00 175.22 174.45 3gzb s ASP 52 N 1.54 6.31 0.28 6.13 -1.08 0.08 -1.11 116.67 128.83 3gzb s ASP 52 Ca -0.03 -1.32 0.06 0.00 -0.52 0.00 0.00 52.55 50.74 3gzb s ASP 52 Cb -0.17 -2.41 0.41 0.00 -1.46 0.00 0.00 42.92 39.29 3gzb s ASP 52 CO -0.07 -1.33 1.67 0.50 0.52 0.00 0.00 175.17 176.46 3gzb h LYS 53 N 9.36 0.23 -0.35 4.34 3.64 -1.47 0.52 116.57 132.83 3gzb h LYS 53 Ca -0.14 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.02 3gzb h LYS 53 Cb 1.06 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 3gzb h LYS 53 CO 1.17 0.64 -0.20 1.79 -2.27 0.00 0.00 179.45 180.59 3gzb h THR 54 N 0.19 1.26 0.00 1.00 1.35 -1.89 -2.83 112.91 111.99 3gzb h THR 54 Ca 0.01 -1.25 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 3gzb h THR 54 Cb 0.88 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 3gzb h THR 54 CO 0.07 0.41 -0.38 0.00 -0.25 0.00 0.00 175.52 175.37 3gzb n ALA 55 N -2.49 3.18 -3.83 6.62 0.00 -1.03 -4.96 120.51 118.00 3gzb n ALA 55 Ca 0.00 -0.28 -0.25 0.00 0.00 0.00 0.00 53.44 52.92 3gzb n ALA 55 Cb 0.40 -1.21 0.01 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.57 -1.72 -4.10 0.00 5.15 0.10 -5.01 115.26 108.12 3gzb n ASN 56 Ca 0.06 -0.87 -0.31 0.00 -0.60 0.00 0.00 54.58 52.86 3gzb n ASN 56 Cb 0.35 -3.70 -0.17 0.00 -0.53 0.00 0.00 39.78 35.73 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 -6.29 2.60 -0.02 1.20 1.81 -0.78 -5.02 118.95 112.45 3gzb s ARG 57 Ca 0.16 -0.69 0.07 0.00 -1.72 0.00 0.00 55.73 53.55 3gzb s ARG 57 Cb -0.08 -2.19 -0.02 0.00 -0.45 0.00 0.00 34.95 32.21 3gzb s ARG 57 CO 0.84 -0.08 -0.24 0.21 -0.68 0.00 0.00 175.30 175.35 3gzb s LYS 58 N 1.02 1.98 -0.03 3.54 2.20 -1.26 -0.74 119.74 126.45 3gzb s LYS 58 Ca -0.04 -0.85 0.02 0.00 -0.36 0.00 0.00 55.97 54.74 3gzb s LYS 58 Cb -0.15 -1.88 0.01 0.00 -1.51 0.00 0.00 37.83 34.30 3gzb s LYS 58 CO -0.04 0.49 -0.07 0.71 -0.36 0.00 0.00 175.35 176.08 3gzb s TYR 59 N -0.50 0.80 -0.09 4.03 2.02 -0.09 -5.02 117.35 118.49 3gzb s TYR 59 Ca 0.08 -0.20 0.02 0.00 -0.37 0.00 0.00 57.07 56.59 3gzb s TYR 59 Cb -0.10 -0.62 0.01 0.00 -0.40 0.00 0.00 41.96 40.86 3gzb s TYR 59 CO -0.00 -0.13 -0.15 0.99 -1.57 0.00 0.00 175.55 174.69 3gzb s THR 60 N 0.45 1.44 0.00 -0.71 2.01 -1.26 -0.56 115.64 117.00 3gzb s THR 60 Ca -0.06 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.31 3gzb s THR 60 Cb -0.10 -1.30 0.00 0.00 0.01 0.00 0.00 72.50 71.10 3gzb s THR 60 CO 0.00 0.43 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 3gzb n GLY 61 N 4.02 0.90 0.29 4.40 0.00 0.32 -4.53 105.19 110.58 3gzb n GLY 61 Ca -0.20 -1.53 0.08 0.00 0.00 0.00 0.00 46.02 44.37 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 1.30 1.00 -0.02 0.00 -1.83 -1.28 103.07 102.25 3gzb h GLY 62 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 3gzb h GLY 62 CO 0.00 -0.16 0.38 -0.09 0.00 0.00 0.00 176.54 176.67 3gzb h ARG 63 N 0.43 0.83 0.05 4.80 2.43 -1.91 -0.91 114.38 120.10 3gzb h ARG 63 Ca 0.47 -0.07 -0.23 0.00 -0.81 0.00 0.00 59.98 59.34 3gzb h ARG 63 Cb 0.79 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 3gzb h ARG 63 CO -0.46 0.59 -1.08 0.74 -1.51 0.00 0.00 179.97 178.25 3gzb h PHE 64 N 0.84 0.18 -0.00 2.20 0.04 -1.60 -1.61 116.94 116.99 3gzb h PHE 64 Ca 0.22 -0.13 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 3gzb h PHE 64 Cb -0.04 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.10 3gzb h PHE 64 CO -0.02 1.10 0.00 0.82 -0.60 0.00 0.00 178.31 179.61 3gzb h ILE 65 N 0.03 1.11 -0.70 -0.55 2.04 -1.12 -1.83 117.51 116.49 3gzb h ILE 65 Ca -0.05 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 3gzb h ILE 65 Cb 1.83 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 39.22 3gzb h ILE 65 CO 0.16 0.09 0.24 0.40 0.00 0.00 0.00 178.15 179.04 3gzb h ILE 66 N -0.14 1.25 -0.58 -0.67 2.04 -1.17 -1.18 117.51 117.06 3gzb h ILE 66 Ca 0.00 -0.84 0.07 0.00 1.00 0.00 0.00 64.86 65.09 3gzb h ILE 66 Cb 0.14 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 3gzb h ILE 66 CO -0.00 0.33 0.27 0.44 0.00 0.00 0.00 178.15 179.19 3gzb h ASP 67 N 1.02 0.36 -0.25 1.72 3.32 -1.27 -0.69 116.42 120.62 3gzb h ASP 67 Ca 0.23 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.33 3gzb h ASP 67 Cb 0.26 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3gzb h ASP 67 CO -0.01 0.23 0.15 0.15 -1.72 0.00 0.00 179.24 178.04 3gzb h PHE 68 N 0.51 0.29 -0.77 4.55 3.57 -0.85 -2.17 116.94 122.05 3gzb h PHE 68 Ca 0.27 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 3gzb h PHE 68 Cb 0.23 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 3gzb h PHE 68 CO -0.12 0.17 0.41 -0.07 -2.23 0.00 0.00 178.31 176.47 3gzb h LEU 69 N 0.31 0.98 -0.70 0.59 3.38 -0.73 0.12 115.31 119.27 3gzb h LEU 69 Ca 0.10 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3gzb h LEU 69 Cb -0.01 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 3gzb h LEU 69 CO -0.04 0.81 0.43 -0.33 0.09 0.00 0.00 178.44 179.40 3gzb h GLU 70 N 1.08 0.81 -0.06 1.13 4.39 -0.97 -0.23 114.58 120.72 3gzb h GLU 70 Ca 0.27 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.89 3gzb h GLU 70 Cb 0.06 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 3gzb h GLU 70 CO -0.04 0.53 -0.10 0.00 -1.16 0.00 0.00 179.01 178.24 3gzb h ARG 71 N 0.83 0.17 -0.77 2.33 3.08 -0.88 -2.56 114.38 116.59 3gzb h ARG 71 Ca 0.29 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.25 3gzb h ARG 71 Cb 0.05 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 3gzb h ARG 71 CO -0.12 0.68 0.50 0.00 -1.07 0.00 0.00 179.97 179.95 3gzb h ALA 72 N 0.50 1.00 -0.36 0.04 0.00 -0.67 -3.08 119.26 116.69 3gzb h ALA 72 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gzb h ALA 72 Cb 0.66 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3gzb h ALA 72 CO 0.02 0.34 0.00 0.72 0.00 0.00 0.00 179.25 180.33 3gzb n HIS 73 N -4.58 1.28 -1.63 0.00 8.25 -0.11 -5.01 115.22 113.42 3gzb n HIS 73 Ca 0.08 -0.83 -0.51 0.00 -0.26 0.00 0.00 57.72 56.20 3gzb n HIS 73 Cb 0.06 -0.37 -0.06 0.00 1.12 0.00 0.00 29.99 30.74 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 -0.15 1.45 -1.06 -0.41 -0.00 -0.96 -1.58 117.38 114.66 3gzb n GLN 74 Ca 0.23 0.53 -0.02 0.00 -0.00 0.00 0.00 57.00 57.74 3gzb n GLN 74 Cb 0.98 -2.22 -0.01 0.00 -0.00 0.00 0.00 30.24 29.00 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 3.07 0.55 3.66 2.61 0.00 -1.26 -4.50 105.19 109.33 3gzb n GLY 75 Ca 0.19 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.84 2.06 -0.07 1.61 3.14 -0.61 -4.42 118.33 117.19 3gzb n VAL 76 Ca -0.02 -0.50 -0.22 0.00 -2.96 0.00 0.00 64.34 60.64 3gzb n VAL 76 Cb 0.12 -1.39 -0.13 0.00 -1.06 0.00 0.00 33.84 31.38 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 0.83 2.52 -3.74 6.55 4.32 0.26 -4.99 117.00 122.76 3gzb n LEU 77 Ca 0.06 0.17 -0.13 0.00 -0.02 0.00 0.00 56.01 56.09 3gzb n LEU 77 Cb 0.35 -1.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.05 3gzb n LEU 77 CO 0.61 0.75 0.06 -1.61 -1.22 0.00 0.00 177.39 175.98 3gzb s GLU 78 N -2.51 0.51 -0.18 3.23 2.02 -0.93 -5.00 118.70 115.85 3gzb s GLU 78 Ca -0.29 0.39 -0.09 0.00 0.02 0.00 0.00 54.97 55.00 3gzb s GLU 78 Cb 0.08 0.24 0.06 0.00 0.10 0.00 0.00 34.13 34.62 3gzb s GLU 78 CO 0.66 -0.09 0.43 -0.47 0.02 0.00 0.00 175.26 175.81 3gzb s TYR 79 N -0.13 -0.66 -0.02 1.61 5.04 -1.26 -0.95 117.35 120.99 3gzb s TYR 79 Ca -0.03 1.37 -0.14 0.00 -2.44 0.00 0.00 57.07 55.82 3gzb s TYR 79 Cb -0.03 0.29 0.02 0.00 0.35 0.00 0.00 41.96 42.59 3gzb s TYR 79 CO 0.02 -0.37 0.30 -0.51 -1.34 0.00 0.00 175.55 173.65 3gzb s ASP 80 N 1.58 -0.19 -0.36 4.32 1.01 -0.56 -4.78 116.67 117.70 3gzb s ASP 80 Ca -0.09 0.09 -0.06 0.00 0.71 0.00 0.00 52.55 53.20 3gzb s ASP 80 Cb -0.09 0.32 0.06 0.00 1.01 0.00 0.00 42.92 44.22 3gzb s ASP 80 CO -0.13 -0.44 0.13 0.12 0.21 0.00 0.00 175.17 175.06 3gzb s PHE 81 N -1.29 3.31 -0.53 4.23 5.36 -1.26 -1.00 117.98 126.80 3gzb s PHE 81 Ca -0.13 -1.63 -0.21 0.00 -0.96 0.00 0.00 56.93 54.00 3gzb s PHE 81 Cb -0.05 -2.50 0.05 0.00 -0.34 0.00 0.00 43.02 40.18 3gzb s PHE 81 CO 0.04 -0.79 0.74 -0.80 -1.46 0.00 0.00 175.22 172.95 3gzb s ASN 82 N 1.57 6.26 -0.15 6.13 0.02 -0.10 -4.94 114.94 123.73 3gzb s ASN 82 Ca -0.00 -0.75 -0.29 0.00 -1.02 0.00 0.00 52.86 50.80 3gzb s ASN 82 Cb -0.21 -2.34 -0.01 0.00 0.02 0.00 0.00 41.25 38.71 3gzb s ASN 82 CO 0.01 -1.02 1.13 -0.63 0.02 0.00 0.00 177.10 176.61 3gzb s ILE 83 N 3.10 4.50 -0.11 0.60 1.01 -1.26 -1.49 121.20 127.54 3gzb s ILE 83 Ca 0.20 1.80 -0.02 0.00 0.00 0.00 0.00 60.65 62.64 3gzb s ILE 83 Cb -0.17 -4.16 -0.25 0.00 0.01 0.00 0.00 42.46 37.89 3gzb s ILE 83 CO 0.14 -0.09 0.41 -0.62 0.00 0.00 0.00 174.94 174.78 3gzb n GLU 84 N 5.87 0.73 -3.96 2.79 1.02 0.94 -4.97 120.64 123.06 3gzb n GLU 84 Ca 0.12 0.26 -0.11 0.00 -0.02 0.00 0.00 57.16 57.41 3gzb n GLU 84 Cb 0.46 -1.72 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 3gzb n GLU 84 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3gzb s HIS 85 N -2.57 0.49 0.00 -0.32 5.04 -0.82 -5.02 115.29 112.10 3gzb s HIS 85 Ca -0.18 -0.91 0.00 0.00 -1.54 0.00 0.00 55.06 52.42 3gzb s HIS 85 Cb 0.07 0.34 0.00 0.00 0.04 0.00 0.00 32.58 33.03 3gzb s HIS 85 CO 0.78 -1.24 0.00 2.48 -2.34 0.00 0.00 174.74 174.41 3gzb n TYR 87 N -0.50 0.00 -3.90 3.88 4.11 -0.64 -0.54 117.16 119.58 3gzb n TYR 87 Ca -0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.77 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 0.10 -0.29 9.48 4.22 -1.26 -0.48 114.94 126.70 3gzb s ASN 88 Ca 0.00 -0.37 0.01 0.00 -2.14 0.00 0.00 52.86 50.36 3gzb s ASN 88 Cb 0.00 0.22 0.09 0.00 1.28 0.00 0.00 41.25 42.83 3gzb s ASN 88 CO 0.00 -0.44 0.05 0.00 -2.04 0.00 0.00 177.10 174.67 3gzb s ALA 89 N -1.99 1.96 0.00 3.54 0.00 -0.31 -5.01 121.76 119.95 3gzb s ALA 89 Ca -0.10 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.10 3gzb s ALA 89 Cb -0.05 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.43 3gzb s ALA 89 CO -0.01 -1.53 0.00 0.41 0.00 0.00 0.00 175.76 174.62 3gzb n GLY 90 N 4.66 3.13 0.29 0.00 0.00 -1.26 -1.74 105.19 110.27 3gzb n GLY 90 Ca -0.03 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 45.91 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 3.05 0.84 -4.55 1.61 3.41 -1.26 -4.69 113.62 112.02 3gzb n SER 91 Ca 0.00 -1.91 -0.41 0.00 -0.26 0.00 0.00 58.87 56.30 3gzb n SER 91 Cb 0.00 -0.09 -0.09 0.00 -0.26 0.00 0.00 64.21 63.76 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 -1.12 4.40 -0.13 1.04 2.96 -0.71 -0.95 118.68 124.17 3gzb s LEU 92 Ca 0.15 -0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.86 3gzb s LEU 92 Cb 0.08 -2.39 -0.03 0.00 0.50 0.00 0.00 46.19 44.34 3gzb s LEU 92 CO 0.11 -0.36 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.07 3gzb s VAL 93 N 2.09 4.09 0.52 1.68 1.01 -0.03 -1.16 120.40 128.61 3gzb s VAL 93 Ca 0.13 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.84 3gzb s VAL 93 Cb -0.16 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.45 3gzb s VAL 93 CO 0.12 0.53 0.14 -0.69 0.00 0.00 0.00 175.10 175.19 3gzb s VAL 94 N -0.06 1.31 -0.29 2.92 1.01 0.36 -0.65 120.40 125.00 3gzb s VAL 94 Ca 0.03 -1.83 -0.16 0.00 0.00 0.00 0.00 61.98 60.02 3gzb s VAL 94 Cb -0.13 -2.14 0.14 0.00 0.00 0.00 0.00 36.38 34.25 3gzb s VAL 94 CO 0.02 0.00 0.93 -0.63 0.00 0.00 0.00 175.10 175.42 3gzb s ILE 96 N -2.85 -0.03 0.00 2.22 1.01 0.30 -1.62 121.20 120.24 3gzb s ILE 96 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.79 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 0.09 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.64 3gzb n GLY 97 N 3.86 1.79 2.94 6.18 0.00 -0.33 -0.04 105.19 119.59 3gzb n GLY 97 Ca -0.18 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 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 0.02 -0.20 1.61 3.84 -0.56 -1.19 114.94 120.46 3gzb s ASN 98 Ca 0.00 0.36 -0.21 0.00 0.21 0.00 0.00 52.86 53.23 3gzb s ASN 98 Cb 0.00 0.27 -0.02 0.00 -0.55 0.00 0.00 41.25 40.94 3gzb s ASN 98 CO 0.00 -0.17 0.62 -0.31 -2.79 0.00 0.00 177.10 174.45 3gzb s TYR 99 N 1.43 3.36 -0.24 0.43 2.02 -0.18 -0.93 117.35 123.25 3gzb s TYR 99 Ca -0.07 0.90 -0.09 0.00 -0.37 0.00 0.00 57.07 57.45 3gzb s TYR 99 Cb -0.11 -2.80 -0.04 0.00 -0.40 0.00 0.00 41.96 38.61 3gzb s TYR 99 CO -0.07 -0.19 0.12 -1.58 -1.57 0.00 0.00 175.55 172.27 3gzb s HIS 100 N 1.96 3.20 -0.07 2.71 5.65 -0.17 -0.50 115.29 128.07 3gzb s HIS 100 Ca 0.28 -0.05 0.01 0.00 0.25 0.00 0.00 55.06 55.55 3gzb s HIS 100 Cb -0.16 -2.25 0.02 0.00 -1.18 0.00 0.00 32.58 29.01 3gzb s HIS 100 CO 0.10 -0.12 -0.07 0.12 -0.65 0.00 0.00 174.74 174.12 3gzb s PHE 101 N 1.31 1.11 -0.13 3.88 2.19 -0.41 -1.49 117.98 124.43 3gzb s PHE 101 Ca 0.06 -0.42 0.02 0.00 0.33 0.00 0.00 56.93 56.92 3gzb s PHE 101 Cb -0.15 -0.93 0.01 0.00 -1.31 0.00 0.00 43.02 40.65 3gzb s PHE 101 CO 0.05 -0.31 -0.18 0.21 1.83 0.00 0.00 175.22 176.82 3gzb s LYS 102 N 1.19 2.56 -0.02 10.12 2.20 -0.12 -1.10 119.74 134.57 3gzb s LYS 102 Ca -0.06 -0.68 -0.29 0.00 -0.36 0.00 0.00 55.97 54.59 3gzb s LYS 102 Cb -0.14 -2.16 0.10 0.00 -1.51 0.00 0.00 37.83 34.12 3gzb s LYS 102 CO -0.02 -0.09 1.29 0.20 -0.36 0.00 0.00 175.35 176.37 3gzb s GLY 103 N 1.04 -0.15 0.30 5.54 0.00 -0.64 -0.58 107.32 112.83 3gzb s GLY 103 Ca -0.04 0.10 -0.29 0.00 0.00 0.00 0.00 44.72 44.49 3gzb s GLY 103 CO -0.04 5.11 1.26 -1.05 0.00 0.00 0.00 173.10 178.37 3gzb n PRO 104 N -0.86 1.93 0.00 2.90 -0.02 -1.26 -0.80 135.00 136.88 3gzb n PRO 104 Ca 0.02 0.68 0.13 0.00 -2.02 0.00 0.00 63.50 62.32 3gzb n PRO 104 Cb 0.59 -2.23 0.46 0.00 -0.02 0.00 0.00 33.50 32.30 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 1.20 -1.09 0.30 -1.23 0.00 0.41 -4.59 105.19 100.19 3gzb n GLY 105 Ca 0.07 -0.28 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 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 0.38 -0.12 0.00 1.61 3.07 -1.81 0.26 114.58 117.97 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 0.45 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 3gzb h GLU 106 CO 0.00 -0.08 0.00 -0.56 -1.40 0.00 0.00 179.01 176.97 3gzb h GLN 107 N -0.13 0.00 -0.39 2.33 3.07 -1.91 -2.40 115.11 115.69 3gzb h GLN 107 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.98 3gzb h GLN 107 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.07 3gzb h GLN 107 CO -0.61 0.00 0.00 1.19 0.09 0.00 0.00 178.83 179.50 3gzb n PHE 108 N -2.53 0.50 -1.00 0.06 3.01 0.76 -4.91 117.46 113.35 3gzb n PHE 108 Ca 0.04 -0.24 0.00 0.00 1.01 0.00 0.00 57.45 58.26 3gzb n PHE 108 Cb 0.39 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 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 0.96 0.40 2.36 1.37 0.00 -0.90 -4.99 105.19 104.38 3gzb n GLY 109 Ca 0.11 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.00 1.72 -1.71 1.61 4.76 -0.26 -5.00 118.16 116.29 3gzb n LYS 110 Ca 0.00 -3.98 -0.40 0.00 -2.87 0.00 0.00 58.31 51.06 3gzb n LYS 110 Cb 0.00 -1.78 0.02 0.00 -1.84 0.00 0.00 35.03 31.43 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 0.90 1.90 -0.92 1.97 -0.04 -1.26 -2.76 135.00 134.79 3gzb n PRO 111 Ca 0.26 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 3gzb n PRO 111 Cb 0.48 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 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 0.80 0.65 3.52 0.55 0.00 -1.26 -4.93 105.19 104.52 3gzb n GLY 112 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.31 1.80 -0.23 1.61 1.02 -1.11 -5.02 119.74 117.50 3gzb s LYS 113 Ca 0.00 -1.82 -0.07 0.00 0.02 0.00 0.00 55.97 54.10 3gzb s LYS 113 Cb 0.00 -1.78 -0.03 0.00 -0.52 0.00 0.00 37.83 35.50 3gzb s LYS 113 CO 0.00 0.24 0.06 0.42 -0.92 0.00 0.00 175.35 175.15 3gzb s ILE 114 N -2.54 4.33 0.25 2.17 -1.09 -1.26 -0.44 121.20 122.62 3gzb s ILE 114 Ca 0.31 -0.17 0.04 0.00 -2.23 0.00 0.00 60.65 58.60 3gzb s ILE 114 Cb -0.02 -3.01 -0.03 0.00 -1.58 0.00 0.00 42.46 37.83 3gzb s ILE 114 CO 0.16 0.37 0.39 0.27 -1.23 0.00 0.00 174.94 174.90 3gzb s ILE 115 N 1.34 5.24 -0.18 2.92 -5.25 0.02 -4.90 121.20 120.39 3gzb s ILE 115 Ca 0.05 -0.88 -0.04 0.00 -0.99 0.00 0.00 60.65 58.79 3gzb s ILE 115 Cb -0.15 -3.85 0.08 0.00 2.95 0.00 0.00 42.46 41.49 3gzb s ILE 115 CO 0.03 -0.36 0.19 -0.62 -1.79 0.00 0.00 174.94 172.40 3gzb s ASP 116 N -3.95 1.42 0.09 4.36 -1.08 -1.26 -1.62 116.67 114.63 3gzb s ASP 116 Ca 0.35 -0.18 0.05 0.00 -0.52 0.00 0.00 52.55 52.25 3gzb s ASP 116 Cb -0.09 0.27 -0.03 0.00 -1.46 0.00 0.00 42.92 41.60 3gzb s ASP 116 CO 0.30 -0.32 -0.13 0.68 0.52 0.00 0.00 175.17 176.22 3gzb s VAL 117 N 2.29 1.14 -0.27 1.11 -7.23 -0.25 -4.92 120.40 112.27 3gzb s VAL 117 Ca 0.05 -1.49 -0.03 0.00 -1.81 0.00 0.00 61.98 58.71 3gzb s VAL 117 Cb -0.15 -1.26 0.09 0.00 0.56 0.00 0.00 36.38 35.62 3gzb s VAL 117 CO -0.11 -0.35 0.09 0.00 -0.31 0.00 0.00 175.10 174.43 3gzb s ALA 118 N -1.76 1.01 -0.26 1.32 0.00 -1.26 -1.29 121.76 119.53 3gzb s ALA 118 Ca 0.03 -1.14 -0.06 0.00 0.00 0.00 0.00 51.96 50.79 3gzb s ALA 118 Cb -0.07 -1.40 -0.00 0.00 0.00 0.00 0.00 23.12 21.65 3gzb s ALA 118 CO 0.02 -1.51 0.03 0.42 0.00 0.00 0.00 175.76 174.72 3gzb s ILE 119 N 1.88 3.75 0.46 0.00 1.01 0.35 -4.90 121.20 123.75 3gzb s ILE 119 Ca 0.06 -0.59 -0.25 0.00 0.00 0.00 0.00 60.65 59.88 3gzb s ILE 119 Cb -0.17 -2.84 -0.08 0.00 0.01 0.00 0.00 42.46 39.38 3gzb s ILE 119 CO -0.24 0.22 1.37 -2.65 0.00 0.00 0.00 174.94 173.64 3gzb n PRO 120 N 4.84 2.04 -3.46 2.79 -0.02 -1.26 -1.01 135.00 138.91 3gzb n PRO 120 Ca -0.16 0.73 -0.14 0.00 -2.02 0.00 0.00 63.50 61.91 3gzb n PRO 120 Cb 0.49 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 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 -1.66 -0.08 3.55 0.00 -0.33 -1.31 121.76 120.70 3gzb s ALA 121 Ca 0.63 0.78 0.04 0.00 0.00 0.00 0.00 51.96 53.41 3gzb s ALA 121 Cb -0.46 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.24 3gzb s ALA 121 CO 0.56 -0.64 -0.21 0.08 0.00 0.00 0.00 175.76 175.55 3gzb s VAL 122 N -2.92 1.80 -0.11 0.00 1.01 -0.56 -1.18 120.40 118.45 3gzb s VAL 122 Ca -0.02 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.10 3gzb s VAL 122 Cb -0.01 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.81 3gzb s VAL 122 CO -0.06 0.50 -0.19 -0.89 0.00 0.00 0.00 175.10 174.46 3gzb s THR 123 N 0.34 1.76 -0.00 3.92 2.01 -1.26 -0.60 115.64 121.81 3gzb s THR 123 Ca -0.15 -0.83 0.05 0.00 0.31 0.00 0.00 61.69 61.07 3gzb s THR 123 Cb -0.17 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 3gzb s THR 123 CO 0.07 0.49 -0.16 -0.94 -0.69 0.00 0.00 174.62 173.39 3gzb s SER 124 N 0.66 3.92 -0.11 3.53 1.04 -0.28 -4.48 113.70 117.98 3gzb s SER 124 Ca -0.12 -0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.02 3gzb s SER 124 Cb -0.16 -0.73 0.01 0.00 0.10 0.00 0.00 66.02 65.23 3gzb s SER 124 CO 0.03 0.30 -0.18 -0.76 0.98 0.00 0.00 173.24 173.61 3gzb s LEU 125 N -1.09 1.87 -0.30 2.42 1.43 0.18 -0.98 118.68 122.21 3gzb s LEU 125 Ca 0.13 -0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 52.62 3gzb s LEU 125 Cb -0.11 -1.20 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 3gzb s LEU 125 CO 0.03 0.06 0.28 -0.75 0.23 0.00 0.00 176.35 176.21 3gzb s LYS 126 N 0.77 3.79 -0.07 1.70 2.47 0.18 -0.85 119.74 127.74 3gzb s LYS 126 Ca -0.10 -0.32 -0.04 0.00 -1.56 0.00 0.00 55.97 53.95 3gzb s LYS 126 Cb -0.16 -3.72 -0.04 0.00 -1.46 0.00 0.00 37.83 32.45 3gzb s LYS 126 CO 0.01 -0.33 0.13 -0.51 0.16 0.00 0.00 175.35 174.80 3gzb s LEU 127 N 1.89 4.21 0.48 5.43 1.43 -0.12 -0.72 118.68 131.28 3gzb s LEU 127 Ca 0.10 0.35 0.04 0.00 -1.03 0.00 0.00 54.13 53.59 3gzb s LEU 127 Cb -0.16 -2.21 0.02 0.00 0.03 0.00 0.00 46.19 43.86 3gzb s LEU 127 CO 0.11 0.35 0.67 -0.62 0.23 0.00 0.00 176.35 177.08 3gzb s ASP 128 N -1.36 5.53 0.00 2.29 -1.08 0.51 -4.80 116.67 117.76 3gzb s ASP 128 Ca 0.19 -0.13 0.00 0.00 -0.52 0.00 0.00 52.55 52.10 3gzb s ASP 128 Cb -0.12 -0.91 0.00 0.00 -1.46 0.00 0.00 42.92 40.43 3gzb s ASP 128 CO 0.09 -0.90 0.00 -0.11 0.52 0.00 0.00 175.17 174.77 3gzb n LEU 130 N -2.09 0.00 -0.49 -1.34 7.94 -1.26 -0.33 117.00 119.43 3gzb n LEU 130 Ca 0.06 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.08 3gzb n LEU 130 Cb 0.59 0.00 0.17 0.00 0.53 0.00 0.00 43.42 44.71 3gzb n LEU 130 CO 0.43 0.00 0.51 0.59 -1.11 0.00 0.00 177.39 177.81 3gzb n ASN 131 N 0.00 1.84 -3.21 1.96 3.02 -1.26 -4.97 115.26 112.64 3gzb n ASN 131 Ca 0.00 -1.41 -0.15 0.00 -0.03 0.00 0.00 54.58 52.99 3gzb n ASN 131 Cb 0.00 0.26 0.08 0.00 -0.61 0.00 0.00 39.78 39.51 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 0.03 -5.73 -4.27 3.52 5.12 0.55 -5.01 116.66 110.87 3gzb n ARG 132 Ca 0.12 0.78 -0.18 0.00 -1.93 0.00 0.00 57.85 56.63 3gzb n ARG 132 Cb 0.44 -5.57 -0.11 0.00 -1.16 0.00 0.00 32.46 26.07 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 -5.16 1.12 -0.41 5.56 0.52 -0.84 -4.37 118.95 115.36 3gzb s ARG 133 Ca 0.03 -1.35 -0.21 0.00 -0.52 0.00 0.00 55.73 53.69 3gzb s ARG 133 Cb -0.00 -0.97 0.02 0.00 0.52 0.00 0.00 34.95 34.51 3gzb s ARG 133 CO 0.67 0.18 0.65 0.08 0.02 0.00 0.00 175.30 176.90 3gzb s VAL 134 N -2.41 4.83 0.04 3.52 1.01 0.54 -0.36 120.40 127.57 3gzb s VAL 134 Ca 0.13 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.42 3gzb s VAL 134 Cb -0.03 -4.17 -0.25 0.00 0.00 0.00 0.00 36.38 31.92 3gzb s VAL 134 CO 0.04 -0.52 0.97 0.71 0.00 0.00 0.00 175.10 176.31 3gzb h THR 135 N 5.82 1.30 -2.90 3.92 1.35 -1.21 -3.42 112.91 117.77 3gzb h THR 135 Ca -0.26 -2.99 -0.20 0.00 -0.55 0.00 0.00 66.41 62.41 3gzb h THR 135 Cb 1.10 2.75 -0.31 0.00 -1.73 0.00 0.00 68.15 69.95 3gzb h THR 135 CO 0.88 0.82 -0.50 -0.70 -0.25 0.00 0.00 175.52 175.76 3gzb s GLU 136 N -2.64 0.18 -0.26 4.72 2.12 -1.16 -1.53 118.70 120.14 3gzb s GLU 136 Ca -0.05 0.68 -0.03 0.00 0.36 0.00 0.00 54.97 55.94 3gzb s GLU 136 Cb 0.08 -0.05 0.02 0.00 0.26 0.00 0.00 34.13 34.44 3gzb s GLU 136 CO 0.84 -0.24 -0.04 -1.58 -0.54 0.00 0.00 175.26 173.71 3gzb s HIS 137 N 1.98 3.08 -0.16 5.30 5.65 0.43 -0.65 115.29 130.93 3gzb s HIS 137 Ca -0.03 -1.45 -0.00 0.00 0.25 0.00 0.00 55.06 53.83 3gzb s HIS 137 Cb -0.11 -2.09 -0.00 0.00 -1.18 0.00 0.00 32.58 29.19 3gzb s HIS 137 CO -0.09 -0.70 -0.13 0.08 -0.65 0.00 0.00 174.74 173.25 3gzb s VAL 138 N 1.36 2.82 -0.14 0.89 1.01 -0.15 -0.57 120.40 125.61 3gzb s VAL 138 Ca 0.01 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 3gzb s VAL 138 Cb -0.17 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 3gzb s VAL 138 CO -0.03 0.51 0.00 -1.81 0.00 0.00 0.00 175.10 173.77 3gzb s ASP 139 N 0.83 5.19 -0.40 3.32 1.01 -0.26 -1.13 116.67 125.24 3gzb s ASP 139 Ca -0.04 0.02 0.04 0.00 0.71 0.00 0.00 52.55 53.28 3gzb s ASP 139 Cb -0.15 -1.74 0.11 0.00 1.01 0.00 0.00 42.92 42.14 3gzb s ASP 139 CO -0.00 0.24 0.12 -0.76 0.21 0.00 0.00 175.17 174.97 3gzb s LEU 140 N -0.03 4.64 -0.09 1.23 1.43 0.23 -1.31 118.68 124.77 3gzb s LEU 140 Ca 0.03 -2.42 -0.01 0.00 -1.03 0.00 0.00 54.13 50.70 3gzb s LEU 140 Cb -0.13 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 3gzb s LEU 140 CO 0.02 -0.34 -0.03 -0.63 0.23 0.00 0.00 176.35 175.60 3gzb s ILE 141 N 0.54 4.04 -1.27 -0.59 -1.09 -1.26 -1.50 121.20 120.06 3gzb s ILE 141 Ca 0.13 -0.34 -0.15 0.00 -2.23 0.00 0.00 60.65 58.06 3gzb s ILE 141 Cb -0.21 -2.70 0.12 0.00 -1.58 0.00 0.00 42.46 38.09 3gzb s ILE 141 CO -0.06 0.58 1.67 -0.67 -1.23 0.00 0.00 174.94 175.23 3gzb n ASP 142 N 2.46 4.99 0.22 3.58 2.03 -0.43 -4.81 116.55 124.59 3gzb n ASP 142 Ca -0.18 -2.95 0.07 0.00 0.52 0.00 0.00 54.79 52.24 3gzb n ASP 142 Cb 0.53 -1.65 0.51 0.00 -0.72 0.00 0.00 41.12 39.80 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 7.10 0.00 -0.67 -0.67 0.05 -1.96 -2.73 116.97 118.09 3gzb h TYR 143 Ca 0.40 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 59.12 3gzb h TYR 143 Cb 0.83 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.54 3gzb h TYR 143 CO 1.28 0.24 0.18 0.37 -1.05 0.00 0.00 178.16 179.18 3gzb h GLN 144 N 0.00 1.06 -1.95 4.88 5.75 -2.00 0.36 115.11 123.20 3gzb h GLN 144 Ca -0.00 -0.25 0.00 0.00 -0.15 0.00 0.00 58.65 58.25 3gzb h GLN 144 Cb 0.49 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.90 3gzb h GLN 144 CO 0.03 0.94 0.00 2.41 -2.65 0.00 0.00 178.83 179.56 3gzb n THR 145 N -4.30 0.00 0.00 2.39 -1.04 -1.03 -1.05 114.28 109.25 3gzb n THR 145 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 3gzb n THR 145 Cb 0.24 -0.49 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 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 0.99 0.00 -0.32 8.00 2.88 0.11 -1.64 113.62 123.65 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 0.00 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 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 1.02 -0.29 -3.46 3.32 -1.35 -0.91 116.42 114.76 3gzb h ASP 148 Ca 0.00 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 56.89 3gzb h ASP 148 Cb 0.00 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3gzb h ASP 148 CO 0.00 0.79 -0.21 1.56 -1.72 0.00 0.00 179.24 179.66 3gzb h GLN 149 N 1.17 0.65 0.00 3.56 4.20 -1.58 -2.96 115.11 120.15 3gzb h GLN 149 Ca 0.31 -0.31 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3gzb h GLN 149 Cb -0.05 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3gzb h GLN 149 CO -0.06 0.91 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.77 3gzb h LEU 150 N 0.39 0.00 -3.72 1.46 3.38 -1.76 -3.28 115.31 111.78 3gzb h LEU 150 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3gzb h LEU 150 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3gzb h LEU 150 CO 0.06 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.76 3gzb n ALA 151 N -2.44 2.08 0.00 1.53 0.00 -0.37 -5.10 120.51 116.22 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 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 17.95 3gzb n ALA 151 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54