#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 2.92 0.33 5.31 0.02 -1.26 -5.17 135.00 137.15 3gzb s PRO 19 Ca 0.00 -0.59 0.05 0.00 0.02 0.00 0.00 61.00 60.47 3gzb s PRO 19 Cb 0.00 -2.76 0.68 0.00 0.02 0.00 0.00 34.50 32.43 3gzb s PRO 19 CO 0.00 0.61 1.90 1.96 -0.33 0.00 0.00 177.00 181.14 3gzb h GLN 20 N 3.87 0.83 -0.66 5.54 1.08 -1.99 -1.31 115.11 122.46 3gzb h GLN 20 Ca -0.48 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 56.66 3gzb h GLN 20 Cb 1.17 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 28.39 3gzb h GLN 20 CO 0.62 0.55 0.39 0.93 -0.95 0.00 0.00 178.83 180.37 3gzb h GLU 21 N 0.85 0.90 -0.59 1.46 3.07 -1.99 -1.38 114.58 116.90 3gzb h GLU 21 Ca 0.40 -0.09 -0.10 0.00 -0.50 0.00 0.00 59.36 59.07 3gzb h GLU 21 Cb 0.41 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 3gzb h GLU 21 CO -0.17 0.65 -0.02 1.96 -1.40 0.00 0.00 179.01 180.03 3gzb h GLN 22 N 0.90 1.04 -0.94 2.33 4.20 -1.73 -1.46 115.11 119.44 3gzb h GLN 22 Ca 0.24 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3gzb h GLN 22 Cb -0.01 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.63 3gzb h GLN 22 CO -0.04 1.03 0.59 1.96 -0.67 0.00 0.00 178.83 181.70 3gzb h GLN 23 N 0.95 1.26 -0.28 1.46 4.20 -0.92 -1.25 115.11 120.53 3gzb h GLN 23 Ca 0.16 -0.10 -0.18 0.00 0.06 0.00 0.00 58.65 58.59 3gzb h GLN 23 Cb 0.58 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 3gzb h GLN 23 CO 0.03 0.87 -0.54 1.25 -0.67 0.00 0.00 178.83 179.77 3gzb h LEU 24 N 1.29 0.94 -0.79 1.46 5.85 -1.12 -2.11 115.31 120.83 3gzb h LEU 24 Ca 0.34 -0.50 0.07 0.00 0.84 0.00 0.00 57.88 58.63 3gzb h LEU 24 Cb -0.09 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.61 3gzb h LEU 24 CO -0.07 1.29 0.46 0.00 -0.34 0.00 0.00 178.44 179.79 3gzb h ALA 25 N 0.73 1.09 -0.38 1.25 0.00 -0.88 -0.71 119.26 120.37 3gzb h ALA 25 Ca 0.02 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3gzb h ALA 25 Cb 1.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3gzb h ALA 25 CO 0.12 0.15 0.05 0.28 0.00 0.00 0.00 179.25 179.84 3gzb h VAL 26 N 0.83 1.25 -0.58 0.00 2.07 -1.07 -2.89 116.25 115.85 3gzb h VAL 26 Ca 0.36 -0.89 0.07 0.00 0.82 0.00 0.00 66.70 67.06 3gzb h VAL 26 Cb 0.24 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 3gzb h VAL 26 CO -0.20 0.30 0.27 0.50 0.02 0.00 0.00 177.57 178.46 3gzb h LYS 27 N 0.48 0.49 -0.14 1.57 3.64 -0.94 0.69 116.57 122.35 3gzb h LYS 27 Ca 0.11 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3gzb h LYS 27 Cb 0.39 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3gzb h LYS 27 CO 0.01 0.32 0.00 0.98 -2.27 0.00 0.00 179.45 178.49 3gzb n TYR 28 N -4.91 0.00 0.00 1.91 9.36 -0.31 -1.69 117.16 121.52 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 0.20 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 38.90 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 0.51 0.00 -0.23 2.98 8.00 0.23 -0.94 116.55 127.11 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 0.83 0.27 2.24 0.00 -1.57 -1.51 119.26 119.52 3gzb h ALA 31 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3gzb h ALA 31 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3gzb h ALA 31 CO 0.00 0.39 -0.13 1.25 0.00 0.00 0.00 179.25 180.76 3gzb h LEU 32 N 0.89 -0.31 -0.97 0.00 5.85 -1.31 -0.04 115.31 119.42 3gzb h LEU 32 Ca 0.22 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 3gzb h LEU 32 Cb 0.10 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3gzb h LEU 32 CO -0.03 -0.21 -0.40 0.71 -0.34 0.00 0.00 178.44 178.17 3gzb h THR 33 N -0.38 0.97 -0.01 1.05 1.35 -1.80 -1.77 112.91 112.32 3gzb h THR 33 Ca -0.04 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.28 3gzb h THR 33 Cb 0.29 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3gzb h THR 33 CO 0.06 0.39 -0.17 -1.84 -0.25 0.00 0.00 175.52 173.71 3gzb n GLU 34 N -3.61 0.84 -3.36 4.72 0.28 -0.58 -4.76 120.64 114.17 3gzb n GLU 34 Ca -0.01 -0.41 -0.24 0.00 -0.16 0.00 0.00 57.16 56.35 3gzb n GLU 34 Cb 0.51 -1.49 0.05 0.00 1.43 0.00 0.00 31.44 31.93 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 -0.72 -2.37 -2.69 -1.84 8.25 -0.67 -4.92 115.22 110.26 3gzb n HIS 35 Ca 0.14 0.76 -0.43 0.00 -0.26 0.00 0.00 57.72 57.92 3gzb n HIS 35 Cb 0.31 -4.57 -0.00 0.00 1.12 0.00 0.00 29.99 26.85 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 -3.01 6.90 0.41 0.41 2.15 -0.11 -4.83 116.67 118.60 3gzb s ASP 36 Ca 0.46 -2.59 0.19 0.00 0.43 0.00 0.00 52.55 51.04 3gzb s ASP 36 Cb -0.21 -2.52 0.89 0.00 -0.30 0.00 0.00 42.92 40.78 3gzb s ASP 36 CO 0.57 -1.05 1.85 1.88 -0.17 0.00 0.00 175.17 178.25 3gzb h TYR 37 N 7.50 0.00 -0.65 -5.34 0.05 -1.91 0.29 116.97 116.91 3gzb h TYR 37 Ca 0.40 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 59.14 3gzb h TYR 37 Cb 0.87 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.59 3gzb h TYR 37 CO 1.33 0.31 0.25 -0.22 -1.05 0.00 0.00 178.16 178.78 3gzb h LYS 38 N 0.00 0.97 -0.02 4.88 3.64 -1.97 -0.76 116.57 123.31 3gzb h LYS 38 Ca -0.00 -0.18 -0.17 0.00 -1.27 0.00 0.00 60.65 59.03 3gzb h LYS 38 Cb 0.68 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.35 3gzb h LYS 38 CO 0.04 0.82 -0.65 1.15 -2.27 0.00 0.00 179.45 178.54 3gzb h THR 39 N 0.91 1.40 -0.60 1.00 2.02 -1.87 -3.34 112.91 112.43 3gzb h THR 39 Ca 0.21 -2.06 0.03 0.00 0.77 0.00 0.00 66.41 65.36 3gzb h THR 39 Cb 0.22 2.51 -0.04 0.00 -1.74 0.00 0.00 68.15 69.09 3gzb h THR 39 CO -0.02 0.61 0.37 0.25 0.37 0.00 0.00 175.52 177.10 3gzb h LEU 40 N -0.00 0.60 -2.26 2.58 5.85 -0.65 -2.14 115.31 119.29 3gzb h LEU 40 Ca -0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3gzb h LEU 40 Cb 1.34 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 3gzb h LEU 40 CO 0.13 0.42 0.01 -0.29 -0.34 0.00 0.00 178.44 178.36 3gzb h ILE 41 N 0.72 0.73 0.00 4.05 6.09 -1.26 -0.68 117.51 127.16 3gzb h ILE 41 Ca 0.24 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.73 3gzb h ILE 41 Cb 0.02 1.00 0.00 0.00 0.47 0.00 0.00 36.82 38.30 3gzb h ILE 41 CO -0.10 0.00 0.00 0.71 -3.07 0.00 0.00 178.15 175.69 3gzb h THR 42 N 0.00 0.00 -0.01 2.19 1.35 -1.51 -1.85 112.91 113.09 3gzb h THR 42 Ca 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 3gzb h THR 42 Cb 0.01 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 3gzb h THR 42 CO -0.00 0.00 -0.22 0.49 -0.25 0.00 0.00 175.52 175.54 3gzb n PHE 43 N -2.88 0.00 -4.52 4.73 3.72 -0.26 -4.70 117.46 113.54 3gzb n PHE 43 Ca -0.01 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.10 3gzb n PHE 43 Cb 0.15 -0.14 -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 -2.51 2.32 0.17 1.38 2.02 -0.70 -0.25 117.35 119.79 3gzb s TYR 44 Ca 0.25 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.58 3gzb s TYR 44 Cb 0.19 -1.29 -0.00 0.00 -0.40 0.00 0.00 41.96 40.46 3gzb s TYR 44 CO 0.51 0.29 0.03 0.27 -1.57 0.00 0.00 175.55 175.08 3gzb n ASN 45 N 1.13 1.63 0.24 2.29 6.94 -1.26 -4.82 115.26 121.41 3gzb n ASN 45 Ca -0.18 -1.82 0.16 0.00 -0.02 0.00 0.00 54.58 52.73 3gzb n ASN 45 Cb 0.53 0.29 0.80 0.00 -2.36 0.00 0.00 39.78 39.03 3gzb n ASN 45 CO 0.00 0.00 0.00 0.08 -1.03 0.00 0.00 177.26 176.31 3gzb h ARG 46 N 0.00 0.00 0.00 -3.83 0.11 -1.94 -2.40 114.38 106.32 3gzb h ARG 46 Ca -0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.95 3gzb h ARG 46 Cb 0.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 3gzb h ARG 46 CO 0.22 0.00 -0.73 -0.25 0.10 0.00 0.00 179.97 179.31 3gzb n ASP 47 N -2.69 0.71 -4.69 0.08 8.00 -1.26 -3.19 116.55 113.50 3gzb n ASP 47 Ca -0.01 -0.56 -0.42 0.00 0.71 0.00 0.00 54.79 54.52 3gzb n ASP 47 Cb 0.14 0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 41.80 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 -3.05 6.47 -0.22 -2.24 0.01 -0.91 -4.73 113.70 109.03 3gzb s SER 48 Ca 0.09 2.69 -0.07 0.00 1.31 0.00 0.00 55.95 59.98 3gzb s SER 48 Cb 0.17 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 3gzb s SER 48 CO 0.77 -0.97 0.07 -0.63 0.41 0.00 0.00 173.24 172.89 3gzb s ILE 49 N 2.60 4.49 -0.27 1.44 1.01 -0.63 -0.68 121.20 129.16 3gzb s ILE 49 Ca 0.79 -0.12 -0.08 0.00 0.00 0.00 0.00 60.65 61.23 3gzb s ILE 49 Cb -0.45 -3.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 3gzb s ILE 49 CO 0.35 0.38 0.10 0.12 0.00 0.00 0.00 174.94 175.90 3gzb s PHE 50 N 1.12 3.13 -0.22 3.97 2.19 0.35 -0.54 117.98 127.97 3gzb s PHE 50 Ca 0.04 -0.50 0.00 0.00 0.33 0.00 0.00 56.93 56.81 3gzb s PHE 50 Cb -0.14 -2.28 0.06 0.00 -1.31 0.00 0.00 43.02 39.34 3gzb s PHE 50 CO 0.03 -0.40 -0.05 0.12 1.83 0.00 0.00 175.22 176.75 3gzb s PHE 51 N 1.61 2.20 -0.80 10.12 5.36 0.42 -0.69 117.98 136.21 3gzb s PHE 51 Ca 0.05 -1.58 -0.21 0.00 -0.96 0.00 0.00 56.93 54.23 3gzb s PHE 51 Cb -0.16 -1.51 0.09 0.00 -0.34 0.00 0.00 43.02 41.10 3gzb s PHE 51 CO 0.05 -0.74 1.06 0.34 -1.46 0.00 0.00 175.22 174.47 3gzb s ASP 52 N 1.46 6.39 0.37 6.13 -1.08 0.29 -0.86 116.67 129.36 3gzb s ASP 52 Ca -0.04 -1.47 0.12 0.00 -0.52 0.00 0.00 52.55 50.64 3gzb s ASP 52 Cb -0.18 -2.42 0.70 0.00 -1.46 0.00 0.00 42.92 39.56 3gzb s ASP 52 CO -0.07 -1.29 1.82 0.11 0.52 0.00 0.00 175.17 176.27 3gzb h LYS 53 N 9.28 0.03 -0.00 4.34 1.57 -1.49 0.12 116.57 130.41 3gzb h LYS 53 Ca -0.07 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.54 3gzb h LYS 53 Cb 1.05 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 3gzb h LYS 53 CO 1.17 0.39 -0.74 1.79 -0.57 0.00 0.00 179.45 181.49 3gzb h THR 54 N 0.03 1.52 -0.00 -0.16 1.35 -1.89 -2.90 112.91 110.85 3gzb h THR 54 Ca 0.00 -2.50 0.00 0.00 -0.55 0.00 0.00 66.41 63.36 3gzb h THR 54 Cb 0.66 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 3gzb h THR 54 CO 0.05 0.72 -0.46 0.00 -0.25 0.00 0.00 175.52 175.58 3gzb n ALA 55 N -2.41 3.46 -3.90 6.62 0.00 -0.99 -4.96 120.51 118.33 3gzb n ALA 55 Ca -0.01 -0.34 -0.26 0.00 0.00 0.00 0.00 53.44 52.82 3gzb n ALA 55 Cb 0.72 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.42 -1.88 -4.15 0.00 5.15 0.34 -5.00 115.26 108.29 3gzb n ASN 56 Ca 0.06 -0.90 -0.31 0.00 -0.60 0.00 0.00 54.58 52.83 3gzb n ASN 56 Cb 0.34 -3.51 -0.17 0.00 -0.53 0.00 0.00 39.78 35.91 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 -6.43 2.81 -0.03 1.20 0.52 -0.64 -5.02 118.95 111.36 3gzb s ARG 57 Ca 0.23 -0.78 0.07 0.00 -0.52 0.00 0.00 55.73 54.72 3gzb s ARG 57 Cb -0.12 -2.25 -0.01 0.00 0.52 0.00 0.00 34.95 33.08 3gzb s ARG 57 CO 0.86 0.02 -0.23 0.21 0.02 0.00 0.00 175.30 176.18 3gzb s LYS 58 N 0.74 2.06 -0.06 3.54 2.20 -1.26 -0.55 119.74 126.42 3gzb s LYS 58 Ca -0.10 -0.83 0.01 0.00 -0.36 0.00 0.00 55.97 54.70 3gzb s LYS 58 Cb -0.16 -1.89 0.02 0.00 -1.51 0.00 0.00 37.83 34.29 3gzb s LYS 58 CO 0.01 0.44 -0.07 0.71 -0.36 0.00 0.00 175.35 176.07 3gzb s TYR 59 N -0.37 1.03 -0.12 4.03 2.02 0.13 -5.01 117.35 119.07 3gzb s TYR 59 Ca 0.04 -0.35 0.02 0.00 -0.37 0.00 0.00 57.07 56.41 3gzb s TYR 59 Cb -0.11 -0.85 0.01 0.00 -0.40 0.00 0.00 41.96 40.62 3gzb s TYR 59 CO 0.01 -0.25 -0.18 0.99 -1.57 0.00 0.00 175.55 174.55 3gzb s THR 60 N 0.95 1.70 0.00 -0.71 2.01 -1.26 -0.50 115.64 117.83 3gzb s THR 60 Ca -0.10 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.13 3gzb s THR 60 Cb -0.15 -1.53 0.00 0.00 0.01 0.00 0.00 72.50 70.84 3gzb s THR 60 CO 0.00 0.48 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 3gzb n GLY 61 N 4.09 2.15 0.25 4.40 0.00 0.14 -4.57 105.19 111.64 3gzb n GLY 61 Ca -0.19 -1.64 0.02 0.00 0.00 0.00 0.00 46.02 44.21 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 0.91 0.38 -0.02 0.00 -1.83 -1.35 103.07 101.16 3gzb h GLY 62 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 47.33 47.36 3gzb h GLY 62 CO 0.00 -0.09 0.35 -0.09 0.00 0.00 0.00 176.54 176.70 3gzb h ARG 63 N 0.34 0.55 0.02 4.80 2.43 -1.92 -0.93 114.38 119.68 3gzb h ARG 63 Ca 0.35 -0.03 -0.23 0.00 -0.81 0.00 0.00 59.98 59.25 3gzb h ARG 63 Cb 0.51 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3gzb h ARG 63 CO -0.39 0.36 -1.15 0.74 -1.51 0.00 0.00 179.97 178.03 3gzb h PHE 64 N 0.57 0.09 -0.11 2.20 0.04 -1.59 -2.01 116.94 116.12 3gzb h PHE 64 Ca 0.37 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 61.06 3gzb h PHE 64 Cb 0.45 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 3gzb h PHE 64 CO -0.12 1.06 0.02 0.82 -0.60 0.00 0.00 178.31 179.49 3gzb h ILE 65 N 0.01 1.20 -0.62 -0.55 2.04 -1.07 -1.80 117.51 116.73 3gzb h ILE 65 Ca -0.07 -0.63 -0.07 0.00 1.00 0.00 0.00 64.86 65.09 3gzb h ILE 65 Cb 1.84 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 39.31 3gzb h ILE 65 CO 0.14 0.18 0.12 0.40 0.00 0.00 0.00 178.15 178.99 3gzb h ILE 66 N -0.04 1.25 -0.82 -0.67 2.04 -1.19 -1.02 117.51 117.07 3gzb h ILE 66 Ca 0.03 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 64.94 3gzb h ILE 66 Cb 0.26 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 3gzb h ILE 66 CO 0.00 0.36 0.53 -0.78 0.00 0.00 0.00 178.15 178.26 3gzb h ASP 67 N 0.94 0.95 -0.25 1.72 3.58 -1.34 -1.02 116.42 121.00 3gzb h ASP 67 Ca 0.19 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.61 3gzb h ASP 67 Cb 0.38 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 3gzb h ASP 67 CO 0.01 0.70 0.16 0.15 -2.88 0.00 0.00 179.24 177.38 3gzb h PHE 68 N 1.12 0.33 -0.83 0.28 3.57 -0.77 -2.30 116.94 118.34 3gzb h PHE 68 Ca 0.30 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 3gzb h PHE 68 Cb -0.11 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.48 3gzb h PHE 68 CO -0.01 0.23 0.43 -0.07 -2.23 0.00 0.00 178.31 176.66 3gzb h LEU 69 N 0.33 1.05 -0.83 0.59 3.38 -0.69 0.67 115.31 119.81 3gzb h LEU 69 Ca 0.09 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3gzb h LEU 69 Cb -0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 3gzb h LEU 69 CO -0.02 0.86 0.54 -0.33 0.09 0.00 0.00 178.44 179.59 3gzb h GLU 70 N 1.17 1.10 -0.04 1.13 4.39 -1.08 -1.07 114.58 120.18 3gzb h GLU 70 Ca 0.29 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 3gzb h GLU 70 Cb 0.07 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.47 3gzb h GLU 70 CO -0.04 0.74 -0.07 -0.09 -1.16 0.00 0.00 179.01 178.38 3gzb h ARG 71 N 1.13 0.12 -0.61 2.33 2.43 -0.83 -2.70 114.38 116.24 3gzb h ARG 71 Ca 0.30 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.32 3gzb h ARG 71 Cb -0.12 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3gzb h ARG 71 CO -0.06 0.65 0.08 0.00 -1.51 0.00 0.00 179.97 179.12 3gzb h ALA 72 N 0.46 0.98 -0.42 2.80 0.00 -0.78 -3.11 119.26 119.19 3gzb h ALA 72 Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3gzb h ALA 72 Cb 0.65 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3gzb h ALA 72 CO 0.02 0.64 0.02 0.72 0.00 0.00 0.00 179.25 180.65 3gzb n HIS 73 N -4.21 1.51 -1.65 0.00 8.25 -0.41 -5.01 115.22 113.69 3gzb n HIS 73 Ca 0.04 -0.89 -0.48 0.00 -0.26 0.00 0.00 57.72 56.13 3gzb n HIS 73 Cb 0.29 -0.43 -0.05 0.00 1.12 0.00 0.00 29.99 30.92 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 -0.10 1.88 -1.14 -0.41 0.00 -1.02 -1.57 117.38 115.03 3gzb n GLN 74 Ca 0.26 0.68 -0.05 0.00 -0.00 0.00 0.00 57.00 57.89 3gzb n GLN 74 Cb 1.06 -2.42 -0.02 0.00 0.00 0.00 0.00 30.24 28.86 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 0.71 3.66 1.69 0.00 -1.26 -4.49 105.19 108.81 3gzb n GLY 75 Ca 0.18 -0.37 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.69 1.81 -0.04 1.61 3.14 -0.61 -4.41 118.33 117.15 3gzb n VAL 76 Ca -0.05 -0.45 -0.21 0.00 -2.96 0.00 0.00 64.34 60.66 3gzb n VAL 76 Cb 0.24 -1.36 -0.13 0.00 -1.06 0.00 0.00 33.84 31.53 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 1.14 2.51 -3.73 6.55 4.32 0.04 -4.99 117.00 122.85 3gzb n LEU 77 Ca 0.07 0.22 -0.13 0.00 -0.02 0.00 0.00 56.01 56.15 3gzb n LEU 77 Cb 0.34 -1.06 -0.10 0.00 -1.62 0.00 0.00 43.42 40.98 3gzb n LEU 77 CO 0.62 0.75 0.08 -0.70 -1.22 0.00 0.00 177.39 176.91 3gzb s GLU 78 N -2.52 0.46 -0.19 3.23 2.12 -0.93 -5.00 118.70 115.88 3gzb s GLU 78 Ca -0.26 0.60 -0.10 0.00 0.36 0.00 0.00 54.97 55.58 3gzb s GLU 78 Cb 0.07 0.19 0.06 0.00 0.26 0.00 0.00 34.13 34.72 3gzb s GLU 78 CO 0.71 -0.07 0.44 -0.47 -0.54 0.00 0.00 175.26 175.33 3gzb s TYR 79 N 0.40 -0.68 -0.00 5.30 5.04 -1.26 -1.20 117.35 124.95 3gzb s TYR 79 Ca -0.01 1.41 -0.15 0.00 -2.44 0.00 0.00 57.07 55.87 3gzb s TYR 79 Cb -0.04 0.32 0.02 0.00 0.35 0.00 0.00 41.96 42.61 3gzb s TYR 79 CO -0.01 -0.38 0.33 -0.51 -1.34 0.00 0.00 175.55 173.63 3gzb s ASP 80 N 1.55 -0.20 -0.35 4.32 1.01 -0.55 -4.80 116.67 117.65 3gzb s ASP 80 Ca -0.09 0.05 -0.06 0.00 0.71 0.00 0.00 52.55 53.17 3gzb s ASP 80 Cb -0.08 0.33 0.05 0.00 1.01 0.00 0.00 42.92 44.23 3gzb s ASP 80 CO -0.14 -0.50 0.11 0.12 0.21 0.00 0.00 175.17 174.98 3gzb s PHE 81 N -1.61 3.30 -0.48 4.23 5.36 -1.26 -0.80 117.98 126.71 3gzb s PHE 81 Ca -0.11 -1.60 -0.20 0.00 -0.96 0.00 0.00 56.93 54.05 3gzb s PHE 81 Cb -0.04 -2.41 0.04 0.00 -0.34 0.00 0.00 43.02 40.27 3gzb s PHE 81 CO 0.03 -0.78 0.65 -0.80 -1.46 0.00 0.00 175.22 172.86 3gzb s ASN 82 N 1.50 6.26 -0.19 6.13 0.01 0.35 -4.94 114.94 124.06 3gzb s ASN 82 Ca -0.01 -0.66 -0.27 0.00 -0.71 0.00 0.00 52.86 51.21 3gzb s ASN 82 Cb -0.20 -2.31 -0.00 0.00 0.41 0.00 0.00 41.25 39.15 3gzb s ASN 82 CO 0.01 -0.87 0.95 -0.63 -1.51 0.00 0.00 177.10 175.05 3gzb s ILE 83 N 2.79 4.77 -0.10 0.60 1.01 -1.26 -1.42 121.20 127.59 3gzb s ILE 83 Ca 0.19 1.86 -0.00 0.00 0.00 0.00 0.00 60.65 62.69 3gzb s ILE 83 Cb -0.17 -4.24 -0.25 0.00 0.01 0.00 0.00 42.46 37.82 3gzb s ILE 83 CO 0.15 -0.08 0.43 -0.62 0.00 0.00 0.00 174.94 174.83 3gzb n GLU 84 N 5.77 0.72 -3.95 2.79 1.02 0.60 -4.97 120.64 122.61 3gzb n GLU 84 Ca 0.09 0.27 -0.10 0.00 -0.02 0.00 0.00 57.16 57.39 3gzb n GLU 84 Cb 0.47 -1.73 -0.03 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 0.34 0.00 -0.32 5.04 -0.87 -5.02 115.29 111.89 3gzb s HIS 85 Ca -0.17 -0.76 0.00 0.00 -1.54 0.00 0.00 55.06 52.58 3gzb s HIS 85 Cb 0.07 0.38 0.00 0.00 0.04 0.00 0.00 32.58 33.07 3gzb s HIS 85 CO 0.78 -1.20 0.00 2.48 -2.34 0.00 0.00 174.74 174.47 3gzb n TYR 87 N -0.47 0.00 -3.83 3.88 4.11 -0.51 -0.34 117.16 120.00 3gzb n TYR 87 Ca -0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.76 3gzb n TYR 87 Cb 0.61 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.86 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 0.01 -0.34 9.48 4.22 -1.26 -0.73 114.94 126.32 3gzb s ASN 88 Ca 0.00 -0.31 0.02 0.00 -2.14 0.00 0.00 52.86 50.42 3gzb s ASN 88 Cb 0.00 0.29 0.10 0.00 1.28 0.00 0.00 41.25 42.92 3gzb s ASN 88 CO 0.00 -0.54 0.09 0.00 -2.04 0.00 0.00 177.10 174.60 3gzb s ALA 89 N -2.41 2.24 0.00 3.54 0.00 0.05 -5.01 121.76 120.17 3gzb s ALA 89 Ca -0.06 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 49.74 3gzb s ALA 89 Cb -0.02 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.29 3gzb s ALA 89 CO -0.03 -1.70 0.00 0.41 0.00 0.00 0.00 175.76 174.44 3gzb n GLY 90 N 4.47 3.37 0.32 0.00 0.00 -1.26 -1.64 105.19 110.44 3gzb n GLY 90 Ca 0.01 -0.11 0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 3.94 0.93 -4.55 1.61 7.64 -1.26 -4.70 113.62 117.24 3gzb n SER 91 Ca 0.00 -1.89 -0.40 0.00 1.01 0.00 0.00 58.87 57.58 3gzb n SER 91 Cb 0.00 -0.10 -0.10 0.00 -1.01 0.00 0.00 64.21 63.00 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 -1.14 4.40 -0.15 -3.43 2.96 -0.65 -1.05 118.68 119.61 3gzb s LEU 92 Ca 0.16 -0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 53.80 3gzb s LEU 92 Cb 0.08 -2.24 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 3gzb s LEU 92 CO 0.12 -0.25 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.14 3gzb s VAL 93 N 1.87 3.57 0.52 1.68 1.01 0.02 -0.77 120.40 128.31 3gzb s VAL 93 Ca 0.09 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.63 3gzb s VAL 93 Cb -0.17 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.67 3gzb s VAL 93 CO 0.11 0.50 0.16 -0.69 0.00 0.00 0.00 175.10 175.18 3gzb s VAL 94 N 0.46 1.37 -0.29 2.92 1.01 0.09 -0.70 120.40 125.28 3gzb s VAL 94 Ca -0.06 -1.80 -0.16 0.00 0.00 0.00 0.00 61.98 59.97 3gzb s VAL 94 Cb -0.15 -2.17 0.13 0.00 0.00 0.00 0.00 36.38 34.19 3gzb s VAL 94 CO 0.03 0.00 0.90 -0.63 0.00 0.00 0.00 175.10 175.40 3gzb s ILE 96 N -2.83 0.00 0.00 2.22 1.01 0.53 -1.43 121.20 120.71 3gzb s ILE 96 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.82 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 0.10 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.65 3gzb n GLY 97 N 3.83 1.51 2.91 6.18 0.00 -0.18 -0.29 105.19 119.15 3gzb n GLY 97 Ca -0.19 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.09 -0.29 1.61 3.84 -0.50 -0.89 114.94 120.62 3gzb s ASN 98 Ca 0.00 0.25 -0.17 0.00 0.21 0.00 0.00 52.86 53.16 3gzb s ASN 98 Cb 0.00 0.16 -0.02 0.00 -0.55 0.00 0.00 41.25 40.84 3gzb s ASN 98 CO 0.00 -0.13 0.45 -0.31 -2.79 0.00 0.00 177.10 174.33 3gzb s TYR 99 N 0.96 3.23 -0.25 0.43 2.02 -0.04 -0.49 117.35 123.21 3gzb s TYR 99 Ca -0.07 0.40 -0.12 0.00 -0.37 0.00 0.00 57.07 56.90 3gzb s TYR 99 Cb -0.10 -2.71 -0.05 0.00 -0.40 0.00 0.00 41.96 38.70 3gzb s TYR 99 CO -0.04 -0.34 0.24 -1.58 -1.57 0.00 0.00 175.55 172.26 3gzb s HIS 100 N 2.22 3.28 -0.09 2.71 5.65 0.02 -0.29 115.29 128.80 3gzb s HIS 100 Ca 0.18 0.28 0.00 0.00 0.25 0.00 0.00 55.06 55.77 3gzb s HIS 100 Cb -0.16 -2.39 0.02 0.00 -1.18 0.00 0.00 32.58 28.87 3gzb s HIS 100 CO 0.11 -0.07 -0.07 0.12 -0.65 0.00 0.00 174.74 174.18 3gzb s PHE 101 N 1.49 1.25 -0.14 3.88 2.19 -0.55 -1.48 117.98 124.62 3gzb s PHE 101 Ca 0.10 -0.53 0.02 0.00 0.33 0.00 0.00 56.93 56.85 3gzb s PHE 101 Cb -0.15 -1.05 0.01 0.00 -1.31 0.00 0.00 43.02 40.52 3gzb s PHE 101 CO 0.08 -0.39 -0.21 0.21 1.83 0.00 0.00 175.22 176.74 3gzb s LYS 102 N 1.41 3.07 -0.06 10.12 2.20 -0.34 -0.89 119.74 135.24 3gzb s LYS 102 Ca -0.02 -0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 54.46 3gzb s LYS 102 Cb -0.13 -2.46 0.10 0.00 -1.51 0.00 0.00 37.83 33.83 3gzb s LYS 102 CO -0.04 0.01 1.34 0.20 -0.36 0.00 0.00 175.35 176.51 3gzb s GLY 103 N 0.76 -0.21 0.40 5.54 0.00 -0.57 -0.78 107.32 112.46 3gzb s GLY 103 Ca -0.08 0.20 -0.27 0.00 0.00 0.00 0.00 44.72 44.57 3gzb s GLY 103 CO -0.00 5.74 1.36 -1.05 0.00 0.00 0.00 173.10 179.14 3gzb n PRO 104 N -0.90 2.22 0.00 2.90 -0.02 -1.26 -0.65 135.00 137.28 3gzb n PRO 104 Ca 0.04 0.78 0.14 0.00 -2.02 0.00 0.00 63.50 62.44 3gzb n PRO 104 Cb 0.59 -2.49 0.50 0.00 -0.02 0.00 0.00 33.50 32.08 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 0.66 -0.49 0.22 -1.23 0.00 0.34 -4.46 105.19 100.24 3gzb n GLY 105 Ca 0.05 -0.38 -0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 1.41 0.25 -0.14 1.61 3.07 -1.81 0.76 114.58 119.73 3gzb h GLU 106 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3gzb h GLU 106 Cb 0.45 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 3gzb h GLU 106 CO 0.00 0.17 0.00 0.00 -1.40 0.00 0.00 179.01 177.78 3gzb n GLN 107 N -5.12 1.37 -0.07 2.33 0.00 -1.26 -2.72 117.38 111.90 3gzb n GLN 107 Ca 0.08 -0.57 0.02 0.00 0.00 0.00 0.00 57.00 56.54 3gzb n GLN 107 Cb 0.30 -1.19 0.06 0.00 0.00 0.00 0.00 30.24 29.40 3gzb n GLN 107 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3gzb n PHE 108 N -0.10 0.18 -1.17 2.61 3.01 0.03 -4.98 117.46 117.03 3gzb n PHE 108 Ca 0.08 -0.46 -0.02 0.00 1.01 0.00 0.00 57.45 58.06 3gzb n PHE 108 Cb 0.15 -0.04 -0.01 0.00 -0.01 0.00 0.00 39.48 39.58 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 -0.05 0.54 2.58 1.37 0.00 -0.98 -4.97 105.19 103.67 3gzb n GLY 109 Ca 0.05 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.75 2.16 -1.70 1.61 4.76 0.05 -5.01 118.16 117.28 3gzb n LYS 110 Ca -0.02 -4.14 -0.40 0.00 -2.87 0.00 0.00 58.31 50.88 3gzb n LYS 110 Cb 0.13 -1.97 0.02 0.00 -1.84 0.00 0.00 35.03 31.37 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 -0.01 1.74 -0.84 1.97 -0.04 -1.25 -2.80 135.00 133.76 3gzb n PRO 111 Ca 0.28 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.37 3gzb n PRO 111 Cb 0.53 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 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 0.86 0.74 3.30 0.55 0.00 -1.26 -4.93 105.19 104.45 3gzb n GLY 112 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.16 1.19 -0.26 1.61 1.02 -1.12 -5.05 119.74 116.97 3gzb s LYS 113 Ca 0.00 -1.50 -0.12 0.00 0.02 0.00 0.00 55.97 54.37 3gzb s LYS 113 Cb 0.00 -0.91 -0.05 0.00 -0.52 0.00 0.00 37.83 36.35 3gzb s LYS 113 CO 0.00 0.14 0.23 0.42 -0.92 0.00 0.00 175.35 175.23 3gzb s ILE 114 N -3.00 5.29 0.25 2.17 -1.09 -1.26 -0.50 121.20 123.05 3gzb s ILE 114 Ca 0.19 0.29 0.03 0.00 -2.23 0.00 0.00 60.65 58.92 3gzb s ILE 114 Cb -0.00 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.28 3gzb s ILE 114 CO 0.04 0.25 0.40 0.27 -1.23 0.00 0.00 174.94 174.68 3gzb s ILE 115 N 1.64 5.22 -0.16 2.92 -5.25 0.17 -4.91 121.20 120.83 3gzb s ILE 115 Ca 0.10 -0.73 -0.04 0.00 -0.99 0.00 0.00 60.65 58.98 3gzb s ILE 115 Cb -0.15 -3.83 0.07 0.00 2.95 0.00 0.00 42.46 41.50 3gzb s ILE 115 CO 0.09 -0.34 0.18 -0.62 -1.79 0.00 0.00 174.94 172.47 3gzb s ASP 116 N -3.79 1.31 0.06 4.36 -1.08 -1.26 -1.52 116.67 114.75 3gzb s ASP 116 Ca 0.36 -0.09 0.04 0.00 -0.52 0.00 0.00 52.55 52.34 3gzb s ASP 116 Cb -0.10 0.27 -0.03 0.00 -1.46 0.00 0.00 42.92 41.60 3gzb s ASP 116 CO 0.31 -0.30 -0.12 0.68 0.52 0.00 0.00 175.17 176.26 3gzb s VAL 117 N 2.29 0.89 -0.29 1.11 -7.23 -0.07 -4.94 120.40 112.17 3gzb s VAL 117 Ca 0.05 -1.24 -0.01 0.00 -1.81 0.00 0.00 61.98 58.97 3gzb s VAL 117 Cb -0.15 -0.91 0.09 0.00 0.56 0.00 0.00 36.38 35.97 3gzb s VAL 117 CO -0.10 -0.30 0.09 0.00 -0.31 0.00 0.00 175.10 174.48 3gzb s ALA 118 N -1.36 1.36 -0.26 1.32 0.00 -1.26 -1.48 121.76 120.07 3gzb s ALA 118 Ca -0.05 -1.43 -0.06 0.00 0.00 0.00 0.00 51.96 50.42 3gzb s ALA 118 Cb -0.10 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.51 3gzb s ALA 118 CO 0.01 -1.57 0.03 0.42 0.00 0.00 0.00 175.76 174.66 3gzb s ILE 119 N 1.71 3.75 0.41 0.00 1.01 0.61 -4.90 121.20 123.78 3gzb s ILE 119 Ca 0.07 -0.61 -0.26 0.00 0.00 0.00 0.00 60.65 59.86 3gzb s ILE 119 Cb -0.17 -2.85 -0.10 0.00 0.01 0.00 0.00 42.46 39.35 3gzb s ILE 119 CO -0.23 0.21 1.34 -2.65 0.00 0.00 0.00 174.94 173.61 3gzb n PRO 120 N 4.83 2.13 -3.46 2.79 -0.02 -1.26 -0.86 135.00 139.16 3gzb n PRO 120 Ca -0.16 0.76 -0.14 0.00 -2.02 0.00 0.00 63.50 61.94 3gzb n PRO 120 Cb 0.49 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 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 -1.17 -1.67 -0.07 3.55 0.00 -0.07 -1.33 121.76 121.00 3gzb s ALA 121 Ca 0.59 0.79 0.04 0.00 0.00 0.00 0.00 51.96 53.38 3gzb s ALA 121 Cb -0.50 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.19 3gzb s ALA 121 CO 0.59 -0.64 -0.20 0.08 0.00 0.00 0.00 175.76 175.60 3gzb s VAL 122 N -2.90 1.68 -0.10 0.00 1.01 -0.47 -1.02 120.40 118.60 3gzb s VAL 122 Ca -0.02 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.17 3gzb s VAL 122 Cb -0.01 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.92 3gzb s VAL 122 CO -0.06 0.48 -0.21 -0.89 0.00 0.00 0.00 175.10 174.42 3gzb s THR 123 N 0.29 1.87 0.02 3.92 2.01 -1.26 -0.50 115.64 121.99 3gzb s THR 123 Ca -0.12 -0.90 0.07 0.00 0.31 0.00 0.00 61.69 61.05 3gzb s THR 123 Cb -0.15 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 3gzb s THR 123 CO 0.05 0.52 -0.19 -0.94 -0.69 0.00 0.00 174.62 173.37 3gzb s SER 124 N 0.53 3.67 -0.09 3.53 1.04 -0.05 -4.48 113.70 117.85 3gzb s SER 124 Ca -0.15 -0.42 0.03 0.00 0.48 0.00 0.00 55.95 55.89 3gzb s SER 124 Cb -0.17 -0.58 0.01 0.00 0.10 0.00 0.00 66.02 65.38 3gzb s SER 124 CO 0.05 0.28 -0.20 -0.76 0.98 0.00 0.00 173.24 173.59 3gzb s LEU 125 N -1.22 1.94 -0.29 2.42 1.43 0.13 -0.84 118.68 122.24 3gzb s LEU 125 Ca 0.13 -0.48 -0.14 0.00 -1.03 0.00 0.00 54.13 52.62 3gzb s LEU 125 Cb -0.10 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 3gzb s LEU 125 CO 0.03 0.11 0.32 -0.75 0.23 0.00 0.00 176.35 176.29 3gzb s LYS 126 N 0.50 3.87 -0.05 1.70 2.47 0.32 -0.80 119.74 127.75 3gzb s LYS 126 Ca -0.16 -0.19 -0.02 0.00 -1.56 0.00 0.00 55.97 54.03 3gzb s LYS 126 Cb -0.17 -3.70 -0.04 0.00 -1.46 0.00 0.00 37.83 32.47 3gzb s LYS 126 CO 0.06 -0.32 0.06 -0.51 0.16 0.00 0.00 175.35 174.81 3gzb s LEU 127 N 1.96 3.87 0.37 5.43 1.43 -0.22 -0.85 118.68 130.67 3gzb s LEU 127 Ca 0.12 0.20 0.07 0.00 -1.03 0.00 0.00 54.13 53.49 3gzb s LEU 127 Cb -0.16 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 3gzb s LEU 127 CO 0.11 0.34 0.47 -0.62 0.23 0.00 0.00 176.35 176.88 3gzb s ASP 128 N -1.30 5.73 0.00 2.29 -1.08 0.57 -4.81 116.67 118.07 3gzb s ASP 128 Ca 0.18 -0.33 0.00 0.00 -0.52 0.00 0.00 52.55 51.88 3gzb s ASP 128 Cb -0.12 -0.98 0.00 0.00 -1.46 0.00 0.00 42.92 40.36 3gzb s ASP 128 CO 0.08 -0.54 0.00 -0.11 0.52 0.00 0.00 175.17 175.12 3gzb n LEU 130 N -1.67 0.00 -0.62 -1.34 7.94 -1.26 -0.58 117.00 119.47 3gzb n LEU 130 Ca 0.02 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.06 3gzb n LEU 130 Cb 0.59 0.00 0.35 0.00 0.53 0.00 0.00 43.42 44.88 3gzb n LEU 130 CO 0.41 0.00 0.74 0.59 -1.11 0.00 0.00 177.39 178.03 3gzb n ASN 131 N 0.00 1.98 -3.68 1.96 3.02 -1.26 -4.97 115.26 112.31 3gzb n ASN 131 Ca 0.00 -1.62 -0.21 0.00 -0.03 0.00 0.00 54.58 52.72 3gzb n ASN 131 Cb 0.00 0.04 0.04 0.00 -0.61 0.00 0.00 39.78 39.24 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 0.49 -5.17 -4.29 3.52 1.74 0.25 -4.99 116.66 108.21 3gzb n ARG 132 Ca 0.16 0.65 -0.23 0.00 -0.77 0.00 0.00 57.85 57.66 3gzb n ARG 132 Cb 0.44 -5.28 -0.12 0.00 -1.02 0.00 0.00 32.46 26.48 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 -5.95 1.14 -0.33 5.56 0.52 -0.68 -4.31 118.95 114.90 3gzb s ARG 133 Ca 0.04 -1.21 -0.18 0.00 -0.52 0.00 0.00 55.73 53.87 3gzb s ARG 133 Cb -0.02 -1.33 -0.01 0.00 0.52 0.00 0.00 34.95 34.11 3gzb s ARG 133 CO 0.80 0.30 0.51 0.08 0.02 0.00 0.00 175.30 177.01 3gzb s VAL 134 N -1.39 5.03 -0.01 3.52 1.01 0.66 -0.32 120.40 128.90 3gzb s VAL 134 Ca 0.08 0.46 0.05 0.00 0.00 0.00 0.00 61.98 62.57 3gzb s VAL 134 Cb -0.09 -3.93 -0.24 0.00 0.00 0.00 0.00 36.38 32.12 3gzb s VAL 134 CO 0.05 -0.14 0.78 0.71 0.00 0.00 0.00 175.10 176.49 3gzb h THR 135 N 5.56 1.04 -2.86 3.92 1.35 -1.27 -3.43 112.91 117.22 3gzb h THR 135 Ca -0.28 -2.80 -0.18 0.00 -0.55 0.00 0.00 66.41 62.59 3gzb h THR 135 Cb 1.13 2.59 -0.30 0.00 -1.73 0.00 0.00 68.15 69.84 3gzb h THR 135 CO 0.76 0.71 -0.47 -1.61 -0.25 0.00 0.00 175.52 174.65 3gzb s GLU 136 N -2.62 0.22 -0.22 4.72 2.02 -1.16 -1.61 118.70 120.06 3gzb s GLU 136 Ca -0.07 0.70 0.01 0.00 0.02 0.00 0.00 54.97 55.63 3gzb s GLU 136 Cb 0.08 -0.03 0.03 0.00 0.10 0.00 0.00 34.13 34.31 3gzb s GLU 136 CO 0.82 -0.22 -0.14 -1.58 0.02 0.00 0.00 175.26 174.17 3gzb s HIS 137 N 1.86 3.00 -0.16 1.61 5.65 0.30 -0.52 115.29 127.03 3gzb s HIS 137 Ca -0.04 -1.83 -0.00 0.00 0.25 0.00 0.00 55.06 53.43 3gzb s HIS 137 Cb -0.11 -1.96 -0.00 0.00 -1.18 0.00 0.00 32.58 29.34 3gzb s HIS 137 CO -0.09 -0.81 -0.15 0.08 -0.65 0.00 0.00 174.74 173.12 3gzb s VAL 138 N 1.24 2.68 -0.13 0.89 1.01 -0.02 -0.43 120.40 125.63 3gzb s VAL 138 Ca -0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 3gzb s VAL 138 Cb -0.16 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 3gzb s VAL 138 CO -0.08 0.51 -0.02 -1.81 0.00 0.00 0.00 175.10 173.69 3gzb s ASP 139 N 0.93 4.98 -0.40 3.32 1.01 -0.04 -0.87 116.67 125.60 3gzb s ASP 139 Ca -0.03 -0.03 0.04 0.00 0.71 0.00 0.00 52.55 53.24 3gzb s ASP 139 Cb -0.15 -1.67 0.11 0.00 1.01 0.00 0.00 42.92 42.22 3gzb s ASP 139 CO -0.02 0.24 0.12 -0.76 0.21 0.00 0.00 175.17 174.96 3gzb s LEU 140 N -0.05 4.64 -0.09 1.23 1.43 0.35 -1.41 118.68 124.77 3gzb s LEU 140 Ca 0.02 -2.43 -0.02 0.00 -1.03 0.00 0.00 54.13 50.67 3gzb s LEU 140 Cb -0.13 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 3gzb s LEU 140 CO 0.02 -0.34 0.01 -0.63 0.23 0.00 0.00 176.35 175.64 3gzb s ILE 141 N 0.52 4.36 -1.27 -0.59 -1.09 -1.26 -1.37 121.20 120.50 3gzb s ILE 141 Ca 0.13 -0.23 -0.14 0.00 -2.23 0.00 0.00 60.65 58.18 3gzb s ILE 141 Cb -0.21 -2.84 0.13 0.00 -1.58 0.00 0.00 42.46 37.95 3gzb s ILE 141 CO -0.05 0.59 1.65 -0.67 -1.23 0.00 0.00 174.94 175.23 3gzb n ASP 142 N 2.26 5.01 0.23 3.58 2.03 -0.44 -4.80 116.55 124.42 3gzb n ASP 142 Ca -0.19 -2.97 0.07 0.00 0.52 0.00 0.00 54.79 52.23 3gzb n ASP 142 Cb 0.54 -1.62 0.53 0.00 -0.72 0.00 0.00 41.12 39.85 3gzb n ASP 142 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 3gzb h TYR 143 N 6.97 0.00 -0.51 -0.67 0.05 -1.96 -2.65 116.97 118.20 3gzb h TYR 143 Ca 0.39 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 59.08 3gzb h TYR 143 Cb 0.82 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.54 3gzb h TYR 143 CO 1.25 0.22 -0.03 0.37 -1.05 0.00 0.00 178.16 178.92 3gzb h GLN 144 N 0.00 0.89 -1.74 4.88 5.75 -2.00 0.37 115.11 123.25 3gzb h GLN 144 Ca -0.00 -0.27 0.00 0.00 -0.15 0.00 0.00 58.65 58.23 3gzb h GLN 144 Cb 0.45 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.91 3gzb h GLN 144 CO 0.03 0.91 0.00 2.41 -2.65 0.00 0.00 178.83 179.52 3gzb n THR 145 N -4.18 0.55 0.00 2.39 -1.04 -1.00 -0.66 114.28 110.33 3gzb n THR 145 Ca 0.02 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3gzb n THR 145 Cb 0.34 -0.88 0.00 0.00 -1.82 0.00 0.00 70.33 67.97 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 1.15 0.00 -0.22 8.00 2.88 0.12 -1.58 113.62 123.97 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 0.20 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.72 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 0.67 -0.29 -3.46 3.32 -1.14 -0.38 116.42 115.14 3gzb h ASP 148 Ca 0.00 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 3gzb h ASP 148 Cb 0.00 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3gzb h ASP 148 CO 0.00 0.47 0.03 1.56 -1.72 0.00 0.00 179.24 179.58 3gzb h GLN 149 N 0.80 0.50 -0.04 3.56 4.20 -1.56 -2.99 115.11 119.57 3gzb h GLN 149 Ca 0.24 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 3gzb h GLN 149 Cb -0.03 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 3gzb h GLN 149 CO -0.08 0.62 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.57 3gzb h LEU 150 N 0.31 0.05 -3.24 1.46 3.38 -1.75 -3.23 115.31 112.29 3gzb h LEU 150 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3gzb h LEU 150 Cb 0.38 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3gzb h LEU 150 CO 0.01 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.67 3gzb n ALA 151 N -2.52 1.93 0.00 1.53 0.00 -0.18 -5.09 120.51 116.18 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 0.16 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.06 3gzb n ALA 151 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54