#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hzb n VAL 2 N 0.00 0.00 -4.25 2.53 0.24 -0.55 -4.93 118.33 111.37 3hzb n VAL 2 Ca 0.00 -0.28 -0.19 0.00 -2.04 0.00 0.00 64.34 61.83 3hzb n VAL 2 Cb 0.00 0.46 -0.15 0.00 -1.47 0.00 0.00 33.84 32.67 3hzb n VAL 2 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3hzb s ILE 3 N -3.00 0.58 -0.10 1.34 -1.09 -0.99 -0.73 121.20 117.22 3hzb s ILE 3 Ca -0.01 -0.24 0.01 0.00 -2.23 0.00 0.00 60.65 58.17 3hzb s ILE 3 Cb 0.12 -0.54 0.02 0.00 -1.58 0.00 0.00 42.46 40.48 3hzb s ILE 3 CO 0.73 0.20 -0.09 -0.89 -1.23 0.00 0.00 174.94 173.65 3hzb s THR 4 N 0.29 1.09 -0.14 2.92 2.01 -0.87 0.21 115.64 121.14 3hzb s THR 4 Ca -0.04 -0.37 -0.05 0.00 0.31 0.00 0.00 61.69 61.54 3hzb s THR 4 Cb -0.08 -1.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 3hzb s THR 4 CO 0.00 0.37 0.04 0.68 -0.69 0.00 0.00 174.62 175.02 3hzb s VAL 5 N 1.34 4.62 0.10 3.82 -7.23 -0.43 -0.92 120.40 121.70 3hzb s VAL 5 Ca -0.02 -0.11 0.08 0.00 -1.81 0.00 0.00 61.98 60.12 3hzb s VAL 5 Cb -0.14 -3.02 -0.04 0.00 0.56 0.00 0.00 36.38 33.75 3hzb s VAL 5 CO -0.04 0.53 -0.17 -0.31 -0.31 0.00 0.00 175.10 174.80 3hzb s TYR 6 N -0.24 2.56 0.14 2.82 1.51 0.23 -1.20 117.35 123.17 3hzb s TYR 6 Ca 0.07 -0.25 -0.13 0.00 -1.01 0.00 0.00 57.07 55.75 3hzb s TYR 6 Cb -0.12 -1.38 -0.01 0.00 -0.11 0.00 0.00 41.96 40.34 3hzb s TYR 6 CO 0.02 0.36 1.56 -0.22 -1.11 0.00 0.00 175.55 176.15 3hzb h LYS 7 N 3.90 0.85 -6.05 -0.62 3.64 -1.11 -0.42 116.57 116.76 3hzb h LYS 7 Ca -0.49 -0.32 -0.54 0.00 -1.27 0.00 0.00 60.65 58.03 3hzb h LYS 7 Cb 1.17 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.86 3hzb h LYS 7 CO 0.47 0.95 -0.49 -0.51 -2.27 0.00 0.00 179.45 177.60 3hzb s ASP 8 N -6.45 4.70 0.81 4.20 1.01 -0.07 -3.45 116.67 117.42 3hzb s ASP 8 Ca -0.12 -0.85 -0.11 0.00 0.71 0.00 0.00 52.55 52.18 3hzb s ASP 8 Cb 0.11 -0.63 0.08 0.00 1.01 0.00 0.00 42.92 43.49 3hzb s ASP 8 CO 0.83 -0.45 1.10 0.00 0.21 0.00 0.00 175.17 176.87 3hzb n ASN 10 N -3.70 -3.97 -3.48 0.00 5.03 0.22 -3.59 115.26 105.77 3hzb n ASN 10 Ca 0.09 0.07 -0.20 0.00 0.87 0.00 0.00 54.58 55.42 3hzb n ASN 10 Cb 0.53 -3.00 0.09 0.00 -1.02 0.00 0.00 39.78 36.37 3hzb n ASN 10 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3hzb n TYR 11 N -3.63 -2.46 -4.38 3.10 4.02 -1.25 -5.02 117.16 107.54 3hzb n TYR 11 Ca -0.13 0.97 -0.19 0.00 -0.01 0.00 0.00 57.90 58.53 3hzb n TYR 11 Cb 0.55 -5.05 -0.10 0.00 -0.02 0.00 0.00 39.34 34.72 3hzb n TYR 11 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3hzb s THR 12 N -3.34 1.01 0.00 -0.72 -4.23 -1.24 -5.05 115.64 102.08 3hzb s THR 12 Ca 0.24 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 3hzb s THR 12 Cb -0.11 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.11 3hzb s THR 12 CO 0.72 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 175.31 3hzb n GLY 13 N -0.56 -0.57 3.65 3.99 0.00 -1.26 -0.90 105.19 109.55 3hzb n GLY 13 Ca -0.03 -1.75 -0.45 0.00 0.00 0.00 0.00 46.02 43.80 3hzb n GLY 13 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hzb n PHE 14 N -0.61 1.99 -4.29 1.61 7.35 -1.26 -4.42 117.46 117.84 3hzb n PHE 14 Ca 0.00 0.49 -0.22 0.00 -0.76 0.00 0.00 57.45 56.96 3hzb n PHE 14 Cb 0.00 -2.42 -0.12 0.00 0.35 0.00 0.00 39.48 37.29 3hzb n PHE 14 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3hzb s SER 15 N 0.19 2.45 -0.04 -2.13 1.04 -1.26 -1.01 113.70 112.93 3hzb s SER 15 Ca 0.68 -0.75 0.04 0.00 0.48 0.00 0.00 55.95 56.41 3hzb s SER 15 Cb -0.68 -0.13 -0.00 0.00 0.10 0.00 0.00 66.02 65.31 3hzb s SER 15 CO 0.51 -0.00 -0.16 -0.83 0.98 0.00 0.00 173.24 173.73 3hzb s GLY 16 N -2.18 0.89 -0.09 7.32 0.00 -0.34 -4.95 107.32 107.98 3hzb s GLY 16 Ca 0.09 -0.65 -0.14 0.00 0.00 0.00 0.00 44.72 44.02 3hzb s GLY 16 CO 0.05 -0.30 0.34 -0.32 0.00 0.00 0.00 173.10 172.86 3hzb s GLY 17 N 0.09 2.33 0.15 0.20 0.00 -1.26 -1.31 107.32 107.53 3hzb s GLY 17 Ca -0.05 -0.35 0.09 0.00 0.00 0.00 0.00 44.72 44.41 3hzb s GLY 17 CO 0.02 0.26 -0.20 1.08 0.00 0.00 0.00 173.10 174.26 3hzb s LEU 18 N -0.31 2.39 0.43 0.66 1.43 0.13 -5.01 118.68 118.40 3hzb s LEU 18 Ca 0.20 -0.81 0.03 0.00 -1.03 0.00 0.00 54.13 52.53 3hzb s LEU 18 Cb -0.15 -0.91 -0.02 0.00 0.03 0.00 0.00 46.19 45.14 3hzb s LEU 18 CO 0.08 0.02 0.10 0.28 0.23 0.00 0.00 176.35 177.06 3hzb s THR 19 N -1.69 0.77 0.18 5.49 -1.32 -1.26 -1.48 115.64 116.33 3hzb s THR 19 Ca 0.14 -2.00 -0.33 0.00 -1.21 0.00 0.00 61.69 58.28 3hzb s THR 19 Cb -0.07 -2.34 -0.15 0.00 -1.51 0.00 0.00 72.50 68.42 3hzb s THR 19 CO 0.06 0.00 1.31 -0.38 -2.21 0.00 0.00 174.62 173.41 3hzb n ILE 20 N -0.97 0.66 -0.14 5.08 2.08 -1.26 -4.64 119.36 120.16 3hzb n ILE 20 Ca -0.09 -0.16 0.00 0.00 0.56 0.00 0.00 62.75 63.06 3hzb n ILE 20 Cb 0.65 -1.11 0.00 0.00 -0.75 0.00 0.00 39.64 38.44 3hzb n ILE 20 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3hzb n GLY 21 N 2.30 0.65 3.73 7.39 0.00 -0.37 -4.95 105.19 113.95 3hzb n GLY 21 Ca 0.15 -1.87 -0.35 0.00 0.00 0.00 0.00 46.02 43.94 3hzb n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hzb s ASP 22 N -1.30 5.78 -0.33 1.61 1.01 -1.26 -0.24 116.67 121.93 3hzb s ASP 22 Ca 0.00 0.23 0.01 0.00 0.71 0.00 0.00 52.55 53.50 3hzb s ASP 22 Cb 0.00 -1.86 0.10 0.00 1.01 0.00 0.00 42.92 42.17 3hzb s ASP 22 CO 0.00 0.31 0.08 -0.31 0.21 0.00 0.00 175.17 175.47 3hzb s TYR 23 N -0.45 2.64 0.88 4.23 1.51 0.17 -5.00 117.35 121.33 3hzb s TYR 23 Ca 0.10 -2.34 -0.11 0.00 -1.01 0.00 0.00 57.07 53.71 3hzb s TYR 23 Cb -0.12 -2.27 0.17 0.00 -0.11 0.00 0.00 41.96 39.63 3hzb s TYR 23 CO 0.02 -0.90 1.22 0.54 -1.11 0.00 0.00 175.55 175.31 3hzb s ASN 24 N 1.23 3.57 0.20 2.29 6.03 -1.26 -0.58 114.94 126.42 3hzb s ASN 24 Ca 0.11 0.11 -0.11 0.00 -1.03 0.00 0.00 52.86 51.94 3hzb s ASN 24 Cb -0.18 -0.29 0.25 0.00 -3.03 0.00 0.00 41.25 38.00 3hzb s ASN 24 CO -0.16 -2.42 1.70 0.25 -2.03 0.00 0.00 177.10 174.44 3hzb h LEU 25 N -1.27 -0.05 -0.50 3.54 6.46 -1.93 -0.91 115.31 120.65 3hzb h LEU 25 Ca -0.42 0.11 0.06 0.00 -0.12 0.00 0.00 57.88 57.51 3hzb h LEU 25 Cb 1.25 0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 41.29 3hzb h LEU 25 CO 0.40 -0.01 0.20 0.00 -0.62 0.00 0.00 178.44 178.42 3hzb h ALA 26 N 1.45 0.62 -0.69 1.25 0.00 -1.93 0.14 119.26 120.10 3hzb h ALA 26 Ca 0.29 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 3hzb h ALA 26 Cb 0.42 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3hzb h ALA 26 CO -0.39 -0.18 0.17 -0.09 0.00 0.00 0.00 179.25 178.76 3hzb h ARG 27 N 0.40 1.11 -0.67 0.00 2.43 -1.68 -1.49 114.38 114.48 3hzb h ARG 27 Ca 0.23 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3hzb h ARG 27 Cb 0.22 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3hzb h ARG 27 CO -0.22 0.98 0.36 -0.07 -1.51 0.00 0.00 179.97 179.51 3hzb h LEU 28 N 1.04 0.84 -1.69 3.80 3.38 -0.47 -2.15 115.31 120.07 3hzb h LEU 28 Ca 0.22 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3hzb h LEU 28 Cb 0.37 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3hzb h LEU 28 CO 0.00 0.70 0.10 0.78 0.09 0.00 0.00 178.44 180.11 3hzb h ASN 29 N 0.91 0.27 0.57 -0.43 4.21 -0.28 -0.38 115.58 120.45 3hzb h ASN 29 Ca 0.23 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.73 3hzb h ASN 29 Cb 0.05 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.18 3hzb h ASN 29 CO -0.04 0.24 0.00 0.77 -1.29 0.00 0.00 177.43 177.11 3hzb h SER 30 N 0.31 0.00 -0.00 5.81 4.64 -0.59 0.14 113.55 123.85 3hzb h SER 30 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3hzb h SER 30 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3hzb h SER 30 CO -0.01 0.00 -0.18 0.18 -0.87 0.00 0.00 176.83 175.95 3hzb n LEU 31 N -2.96 2.38 0.00 5.97 4.77 -0.27 -4.94 117.00 121.94 3hzb n LEU 31 Ca -0.01 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 3hzb n LEU 31 Cb 0.20 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3hzb n LEU 31 CO 0.23 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3hzb n GLY 32 N 1.35 0.75 3.70 -0.72 0.00 0.50 -4.77 105.19 106.00 3hzb n GLY 32 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3hzb n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hzb s VAL 33 N -2.59 5.01 0.39 1.61 1.01 -0.48 -4.94 120.40 120.41 3hzb s VAL 33 Ca 0.00 1.45 -0.03 0.00 0.00 0.00 0.00 61.98 63.40 3hzb s VAL 33 Cb 0.00 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 3hzb s VAL 33 CO 0.00 0.18 0.65 -0.76 0.00 0.00 0.00 175.10 175.17 3hzb s LEU 34 N 1.26 3.86 0.59 3.92 1.43 -1.26 -2.84 118.68 125.64 3hzb s LEU 34 Ca 0.37 0.73 -0.17 0.00 -1.03 0.00 0.00 54.13 54.02 3hzb s LEU 34 Cb -0.17 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 3hzb s LEU 34 CO 0.16 -0.39 1.11 0.21 0.23 0.00 0.00 176.35 177.67 3hzb s ASN 35 N -3.84 5.50 -1.37 2.29 3.04 -1.26 -3.71 114.94 115.59 3hzb s ASN 35 Ca 0.44 2.05 -0.16 0.00 0.04 0.00 0.00 52.86 55.23 3hzb s ASN 35 Cb -0.10 -2.56 0.02 0.00 -1.54 0.00 0.00 41.25 37.07 3hzb s ASN 35 CO 0.38 -1.37 0.31 0.47 -3.04 0.00 0.00 177.10 173.85 3hzb n ASP 36 N -1.84 -1.33 0.00 -4.21 9.92 -0.77 -4.79 116.55 113.53 3hzb n ASP 36 Ca 0.11 -1.27 0.00 0.00 -0.53 0.00 0.00 54.79 53.09 3hzb n ASP 36 Cb 0.52 -1.55 0.00 0.00 -0.64 0.00 0.00 41.12 39.44 3hzb n ASP 36 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3hzb n ASP 37 N -2.48 0.00 -4.76 -2.24 4.64 -1.24 -4.44 116.55 106.03 3hzb n ASP 37 Ca -0.22 0.00 -0.41 0.00 -1.38 0.00 0.00 54.79 52.78 3hzb n ASP 37 Cb 0.62 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.68 3hzb n ASP 37 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3hzb s ILE 38 N -0.46 2.77 0.00 5.18 1.01 -1.26 -4.59 121.20 123.85 3hzb s ILE 38 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 60.65 61.36 3hzb s ILE 38 Cb 0.00 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 39.02 3hzb s ILE 38 CO 0.00 0.14 0.00 -1.20 0.00 0.00 0.00 174.94 173.88 3hzb n SER 39 N 1.54 3.46 -3.69 3.58 7.64 -0.17 -1.75 113.62 124.22 3hzb n SER 39 Ca 0.03 -0.05 -0.10 0.00 1.01 0.00 0.00 58.87 59.76 3hzb n SER 39 Cb 0.41 0.79 -0.04 0.00 -1.01 0.00 0.00 64.21 64.36 3hzb n SER 39 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3hzb s SER 40 N -1.48 -0.25 -0.05 6.43 1.04 -1.18 -0.86 113.70 117.35 3hzb s SER 40 Ca 0.00 -0.41 -0.31 0.00 0.48 0.00 0.00 55.95 55.71 3hzb s SER 40 Cb 0.00 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.72 3hzb s SER 40 CO 0.00 -0.96 0.68 -1.48 0.98 0.00 0.00 173.24 172.46 3hzb s LEU 41 N -2.84 -0.65 -0.13 2.42 2.34 -0.69 -0.60 118.68 118.52 3hzb s LEU 41 Ca 0.07 0.72 -0.06 0.00 0.06 0.00 0.00 54.13 54.92 3hzb s LEU 41 Cb 0.00 2.53 -0.04 0.00 -0.56 0.00 0.00 46.19 48.13 3hzb s LEU 41 CO -0.07 -0.61 0.08 -0.13 -1.06 0.00 0.00 176.35 174.56 3hzb s ARG 42 N -1.17 3.52 -0.22 1.48 0.52 -0.10 -1.43 118.95 121.55 3hzb s ARG 42 Ca -0.11 -0.28 0.02 0.00 -0.52 0.00 0.00 55.73 54.84 3hzb s ARG 42 Cb -0.00 -3.10 0.04 0.00 0.52 0.00 0.00 34.95 32.42 3hzb s ARG 42 CO 0.10 0.57 -0.13 0.42 0.02 0.00 0.00 175.30 176.28 3hzb s ILE 43 N -0.47 1.98 0.18 1.52 -1.09 -1.26 -2.06 121.20 119.99 3hzb s ILE 43 Ca 0.10 -1.27 -0.30 0.00 -2.23 0.00 0.00 60.65 56.95 3hzb s ILE 43 Cb -0.12 -2.00 -0.08 0.00 -1.58 0.00 0.00 42.46 38.68 3hzb s ILE 43 CO 0.02 0.17 1.32 -0.89 -1.23 0.00 0.00 174.94 174.33 3hzb s THR 44 N 1.24 3.26 0.19 2.92 2.01 0.10 -4.43 115.64 120.92 3hzb s THR 44 Ca -0.03 1.00 -0.33 0.00 0.31 0.00 0.00 61.69 62.64 3hzb s THR 44 Cb -0.17 -3.64 -0.14 0.00 0.01 0.00 0.00 72.50 68.55 3hzb s THR 44 CO -0.08 0.13 1.37 0.00 -0.69 0.00 0.00 174.62 175.36 3hzb n GLN 45 N 2.94 1.74 0.00 4.92 10.64 -1.26 -1.66 117.38 134.70 3hzb n GLN 45 Ca 0.07 0.62 0.00 0.00 -1.83 0.00 0.00 57.00 55.86 3hzb n GLN 45 Cb 0.43 -2.26 0.00 0.00 -0.86 0.00 0.00 30.24 27.55 3hzb n GLN 45 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3hzb n GLY 46 N 2.41 0.52 3.29 2.61 0.00 -1.26 -5.03 105.19 107.73 3hzb n GLY 46 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 3hzb n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hzb s TYR 47 N -2.00 1.43 0.03 1.61 2.02 -0.67 0.15 117.35 119.93 3hzb s TYR 47 Ca 0.00 -1.17 -0.20 0.00 -0.37 0.00 0.00 57.07 55.33 3hzb s TYR 47 Cb 0.00 -0.82 0.04 0.00 -0.40 0.00 0.00 41.96 40.78 3hzb s TYR 47 CO 0.00 -0.34 0.46 1.14 -1.57 0.00 0.00 175.55 175.23 3hzb s GLN 48 N -4.02 0.94 -0.12 -0.62 -2.07 -0.58 -4.53 119.66 108.66 3hzb s GLN 48 Ca 0.35 -0.25 0.02 0.00 -1.82 0.00 0.00 55.36 53.66 3hzb s GLN 48 Cb 0.07 0.43 -0.01 0.00 -1.09 0.00 0.00 33.01 32.41 3hzb s GLN 48 CO 0.12 -0.32 -0.18 0.00 -1.32 0.00 0.00 175.29 173.58 3hzb s ALA 49 N -2.24 2.40 -0.32 2.60 0.00 -0.63 -2.07 121.76 121.51 3hzb s ALA 49 Ca -0.07 -0.95 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 3hzb s ALA 49 Cb -0.01 -1.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.07 3hzb s ALA 49 CO -0.00 0.23 0.17 0.42 0.00 0.00 0.00 175.76 176.58 3hzb s ILE 50 N 0.40 4.75 0.06 0.00 1.01 0.11 -0.44 121.20 127.10 3hzb s ILE 50 Ca -0.14 -0.40 -0.16 0.00 0.00 0.00 0.00 60.65 59.96 3hzb s ILE 50 Cb -0.17 -3.44 -0.06 0.00 0.01 0.00 0.00 42.46 38.80 3hzb s ILE 50 CO 0.06 0.04 0.50 -0.76 0.00 0.00 0.00 174.94 174.78 3hzb s LEU 51 N 1.63 4.46 -0.04 2.97 1.43 0.65 -1.95 118.68 127.84 3hzb s LEU 51 Ca 0.05 1.09 0.06 0.00 -1.03 0.00 0.00 54.13 54.29 3hzb s LEU 51 Cb -0.17 -2.85 -0.01 0.00 0.03 0.00 0.00 46.19 43.19 3hzb s LEU 51 CO 0.07 0.26 -0.21 -0.31 0.23 0.00 0.00 176.35 176.39 3hzb s TYR 52 N -1.18 2.02 0.13 0.29 2.02 -0.74 -1.47 117.35 118.41 3hzb s TYR 52 Ca 0.29 -0.53 -0.16 0.00 -0.37 0.00 0.00 57.07 56.30 3hzb s TYR 52 Cb -0.17 -1.33 -0.01 0.00 -0.40 0.00 0.00 41.96 40.05 3hzb s TYR 52 CO 0.17 -0.14 1.64 1.96 -1.57 0.00 0.00 175.55 177.61 3hzb h GLN 53 N 5.98 0.61 -6.26 -0.62 1.08 -1.23 -1.56 115.11 113.11 3hzb h GLN 53 Ca -0.35 -0.14 -0.47 0.00 -1.45 0.00 0.00 58.65 56.25 3hzb h GLN 53 Cb 1.16 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.49 3hzb h GLN 53 CO 0.47 0.63 -0.35 -0.51 -0.95 0.00 0.00 178.83 178.12 3hzb s ASP 54 N -5.95 5.30 0.80 1.46 1.01 -0.65 -3.54 116.67 115.10 3hzb s ASP 54 Ca -0.13 -0.59 -0.11 0.00 0.71 0.00 0.00 52.55 52.43 3hzb s ASP 54 Cb 0.10 -0.68 0.07 0.00 1.01 0.00 0.00 42.92 43.42 3hzb s ASP 54 CO 0.76 -0.63 1.09 -0.62 0.21 0.00 0.00 175.17 175.98 3hzb s ASP 55 N -4.18 4.33 -1.77 0.27 2.15 -1.26 -3.43 116.67 112.77 3hzb s ASP 55 Ca 0.49 1.72 -0.00 0.00 0.43 0.00 0.00 52.55 55.18 3hzb s ASP 55 Cb -0.06 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 3hzb s ASP 55 CO 0.29 -2.13 0.03 0.59 -0.17 0.00 0.00 175.17 173.79 3hzb n ASN 56 N -3.58 -5.93 -3.59 -0.34 3.02 -1.26 -2.77 115.26 100.81 3hzb n ASN 56 Ca 0.08 -0.03 -0.23 0.00 -0.03 0.00 0.00 54.58 54.37 3hzb n ASN 56 Cb 0.54 -4.93 0.08 0.00 -0.61 0.00 0.00 39.78 34.86 3hzb n ASN 56 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3hzb n PHE 57 N -4.05 -2.80 -3.69 3.10 3.01 -1.24 -5.01 117.46 106.79 3hzb n PHE 57 Ca -0.24 1.01 -0.22 0.00 1.01 0.00 0.00 57.45 59.01 3hzb n PHE 57 Cb 0.69 -5.02 -0.04 0.00 -0.01 0.00 0.00 39.48 35.10 3hzb n PHE 57 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3hzb s GLY 58 N -3.44 2.19 0.03 1.37 0.00 -1.11 -5.00 107.32 101.35 3hzb s GLY 58 Ca 0.52 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 43.35 3hzb s GLY 58 CO 0.73 -1.76 0.00 0.61 0.00 0.00 0.00 173.10 172.69 3hzb n GLY 59 N -1.51 -2.02 3.71 0.20 0.00 -1.26 -1.63 105.19 102.68 3hzb n GLY 59 Ca 0.02 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 3hzb n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hzb n ALA 60 N -0.57 0.75 -2.17 4.61 0.00 -1.26 -4.65 120.51 117.21 3hzb n ALA 60 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 3hzb n ALA 60 Cb 0.06 -2.29 -0.10 0.00 0.00 0.00 0.00 19.45 17.12 3hzb n ALA 60 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hzb s SER 61 N -1.58 0.58 -0.06 0.00 1.04 -1.26 -1.25 113.70 111.18 3hzb s SER 61 Ca 0.80 -1.19 -0.19 0.00 0.48 0.00 0.00 55.95 55.84 3hzb s SER 61 Cb -0.36 0.24 0.04 0.00 0.10 0.00 0.00 66.02 66.04 3hzb s SER 61 CO 0.44 -0.68 0.43 0.28 0.98 0.00 0.00 173.24 174.69 3hzb s THR 62 N -3.93 0.03 -0.17 2.02 -1.32 -0.54 -4.97 115.64 106.75 3hzb s THR 62 Ca 0.24 -0.25 -0.08 0.00 -1.21 0.00 0.00 61.69 60.38 3hzb s THR 62 Cb 0.07 -0.72 -0.04 0.00 -1.51 0.00 0.00 72.50 70.30 3hzb s THR 62 CO 0.02 -0.14 0.10 -0.69 -2.21 0.00 0.00 174.62 171.70 3hzb s VAL 63 N -0.95 5.12 -0.27 5.08 1.01 -1.26 -0.26 120.40 128.87 3hzb s VAL 63 Ca -0.10 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 3hzb s VAL 63 Cb -0.04 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 33.07 3hzb s VAL 63 CO 0.05 0.49 -0.00 -0.63 0.00 0.00 0.00 175.10 175.01 3hzb s ILE 64 N 0.04 3.31 -0.82 2.22 -1.09 0.42 -4.97 121.20 120.31 3hzb s ILE 64 Ca 0.08 -0.93 0.08 0.00 -2.23 0.00 0.00 60.65 57.65 3hzb s ILE 64 Cb -0.12 -2.71 0.19 0.00 -1.58 0.00 0.00 42.46 38.24 3hzb s ILE 64 CO 0.00 0.13 1.08 -0.46 -1.23 0.00 0.00 174.94 174.46 3hzb n ASN 65 N 4.74 2.44 -3.58 3.58 0.23 -1.26 -1.60 115.26 119.81 3hzb n ASN 65 Ca -0.15 -1.82 -0.12 0.00 -0.53 0.00 0.00 54.58 51.95 3hzb n ASN 65 Cb 0.47 -0.13 -0.04 0.00 -2.08 0.00 0.00 39.78 38.00 3hzb n ASN 65 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3hzb s SER 66 N -0.92 -0.37 0.14 0.53 1.04 -1.26 -4.92 113.70 107.95 3hzb s SER 66 Ca 0.16 -0.08 -0.34 0.00 0.48 0.00 0.00 55.95 56.17 3hzb s SER 66 Cb 0.09 0.50 -0.16 0.00 0.10 0.00 0.00 66.02 66.55 3hzb s SER 66 CO 0.12 -0.82 1.31 0.47 0.98 0.00 0.00 173.24 175.30 3hzb n ASP 67 N 0.00 1.82 -4.03 7.02 8.00 -1.26 -4.63 116.55 123.46 3hzb n ASP 67 Ca -0.17 1.13 -0.31 0.00 0.71 0.00 0.00 54.79 56.14 3hzb n ASP 67 Cb 0.63 -1.25 -0.15 0.00 -0.02 0.00 0.00 41.12 40.32 3hzb n ASP 67 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3hzb s ASN 68 N 0.32 4.08 0.19 -2.24 3.84 -0.51 -4.98 114.94 115.63 3hzb s ASN 68 Ca 0.78 -1.23 0.24 0.00 0.21 0.00 0.00 52.86 52.86 3hzb s ASN 68 Cb -0.85 -1.42 0.91 0.00 -0.55 0.00 0.00 41.25 39.34 3hzb s ASN 68 CO 0.48 -0.18 1.74 -1.54 -2.79 0.00 0.00 177.10 174.81 3hzb n SER 69 N 4.53 0.59 -3.15 -4.21 3.41 -1.26 -1.70 113.62 111.83 3hzb n SER 69 Ca -0.14 0.60 0.05 0.00 -0.26 0.00 0.00 58.87 59.12 3hzb n SER 69 Cb 0.44 -0.74 -0.01 0.00 -0.26 0.00 0.00 64.21 63.64 3hzb n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hzb s LEU 71 N 2.93 3.53 0.00 0.00 1.43 -0.04 -5.01 118.68 121.53 3hzb s LEU 71 Ca 0.11 2.57 -0.17 0.00 -1.03 0.00 0.00 54.13 55.61 3hzb s LEU 71 Cb -0.08 -4.61 0.24 0.00 0.03 0.00 0.00 46.19 41.77 3hzb s LEU 71 CO -0.17 -2.04 1.00 -0.46 0.23 0.00 0.00 176.35 174.91 3hzb n ASN 72 N -2.03 -1.39 0.25 2.29 2.04 -1.26 -4.33 115.26 110.83 3hzb n ASN 72 Ca 0.15 -1.17 0.08 0.00 -0.44 0.00 0.00 54.58 53.21 3hzb n ASN 72 Cb 0.49 -0.87 0.64 0.00 -2.53 0.00 0.00 39.78 37.50 3hzb n ASN 72 CO 0.00 0.00 0.00 0.74 -0.44 0.00 0.00 177.26 177.56 3hzb h THR 73 N -2.32 0.94 -0.09 5.53 2.02 -1.94 0.45 112.91 117.49 3hzb h THR 73 Ca -0.36 -0.28 -0.17 0.00 0.77 0.00 0.00 66.41 66.37 3hzb h THR 73 Cb 1.07 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 3hzb h THR 73 CO 0.24 0.08 -0.67 0.74 0.37 0.00 0.00 175.52 176.27 3hzb h THR 74 N 0.00 1.37 0.00 3.16 2.02 -2.03 -3.36 112.91 114.07 3hzb h THR 74 Ca -0.00 -2.05 0.00 0.00 0.77 0.00 0.00 66.41 65.12 3hzb h THR 74 Cb 0.15 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 3hzb h THR 74 CO 0.01 0.62 -1.48 0.79 0.37 0.00 0.00 175.52 175.83 3hzb n TRP 75 N -3.86 0.00 -2.15 3.16 7.02 -0.86 -4.80 117.44 115.94 3hzb n TRP 75 Ca -0.04 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.02 3hzb n TRP 75 Cb 0.67 -0.27 -0.03 0.00 -2.42 0.00 0.00 31.31 29.26 3hzb n TRP 75 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 3hzb s ASN 76 N -3.41 6.80 -1.46 -0.99 3.84 0.15 -2.65 114.94 117.22 3hzb s ASN 76 Ca -0.03 2.33 -0.09 0.00 0.21 0.00 0.00 52.86 55.27 3hzb s ASN 76 Cb 0.09 -2.58 0.04 0.00 -0.55 0.00 0.00 41.25 38.25 3hzb s ASN 76 CO 0.58 -0.69 0.89 0.47 -2.79 0.00 0.00 177.10 175.57 3hzb n ASP 77 N 4.22 -5.60 0.00 -4.21 8.00 -0.72 -4.85 116.55 113.39 3hzb n ASP 77 Ca 0.12 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 55.11 3hzb n ASP 77 Cb 0.42 -4.48 0.00 0.00 -0.02 0.00 0.00 41.12 37.04 3hzb n ASP 77 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hzb n LYS 78 N -4.50 2.67 -2.15 -1.24 4.76 -1.09 -4.25 118.16 112.36 3hzb n LYS 78 Ca -0.02 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.00 3hzb n LYS 78 Cb 0.57 -0.29 -0.03 0.00 -1.84 0.00 0.00 35.03 33.44 3hzb n LYS 78 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3hzb s VAL 79 N -0.37 3.14 0.00 -0.18 1.01 -1.25 -4.58 120.40 118.17 3hzb s VAL 79 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 61.98 62.86 3hzb s VAL 79 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.82 3hzb s VAL 79 CO 0.00 0.10 0.00 -1.20 0.00 0.00 0.00 175.10 174.00 3hzb n SER 80 N 3.26 1.25 -3.50 3.32 7.64 -0.59 -1.85 113.62 123.15 3hzb n SER 80 Ca 0.09 -0.35 -0.14 0.00 1.01 0.00 0.00 58.87 59.49 3hzb n SER 80 Cb 0.42 0.94 -0.04 0.00 -1.01 0.00 0.00 64.21 64.52 3hzb n SER 80 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3hzb s SER 81 N -1.19 -0.54 -0.03 6.43 1.04 -1.23 -2.97 113.70 115.21 3hzb s SER 81 Ca 0.00 0.36 -0.05 0.00 0.48 0.00 0.00 55.95 56.74 3hzb s SER 81 Cb 0.00 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.62 3hzb s SER 81 CO 0.00 -0.66 0.12 -0.63 0.98 0.00 0.00 173.24 173.06 3hzb s ILE 82 N -2.16 0.02 -0.09 -1.02 1.01 0.25 -1.79 121.20 117.43 3hzb s ILE 82 Ca -0.04 -0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.46 3hzb s ILE 82 Cb -0.01 -0.25 -0.01 0.00 0.01 0.00 0.00 42.46 42.21 3hzb s ILE 82 CO -0.01 -0.11 -0.22 -0.13 0.00 0.00 0.00 174.94 174.48 3hzb s ARG 83 N -0.32 2.90 -0.15 2.79 0.52 -0.82 0.45 118.95 124.33 3hzb s ARG 83 Ca -0.04 -0.84 -0.01 0.00 -0.52 0.00 0.00 55.73 54.31 3hzb s ARG 83 Cb -0.03 -2.31 -0.02 0.00 0.52 0.00 0.00 34.95 33.11 3hzb s ARG 83 CO 0.00 0.28 -0.11 0.08 0.02 0.00 0.00 175.30 175.58 3hzb s VAL 84 N 0.10 3.19 0.20 3.52 1.01 0.66 -0.71 120.40 128.38 3hzb s VAL 84 Ca -0.10 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 3hzb s VAL 84 Cb -0.16 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3hzb s VAL 84 CO 0.06 0.51 0.10 0.27 0.00 0.00 0.00 175.10 176.04 3hzb s ILE 85 N 0.50 0.17 0.16 2.22 -4.36 -0.88 -1.24 121.20 117.78 3hzb s ILE 85 Ca -0.08 -1.98 -0.30 0.00 -0.26 0.00 0.00 60.65 58.03 3hzb s ILE 85 Cb -0.15 -2.44 -0.07 0.00 1.25 0.00 0.00 42.46 41.05 3hzb s ILE 85 CO 0.04 -0.10 0.99 0.00 0.24 0.00 0.00 174.94 176.11 3hzb s ALA 86 N -4.03 3.30 -2.36 2.27 0.00 -1.26 -1.53 121.76 118.14 3hzb s ALA 86 Ca 0.36 0.64 0.19 0.00 0.00 0.00 0.00 51.96 53.15 3hzb s ALA 86 Cb 0.07 -3.28 0.15 0.00 0.00 0.00 0.00 23.12 20.06 3hzb s ALA 86 CO 0.10 -0.02 1.10 -1.71 0.00 0.00 0.00 175.76 175.24