#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qjb s LEU 33 N 0.00 3.75 0.34 -4.42 1.02 -1.26 -4.86 118.68 113.24 2qjb s LEU 33 Ca 0.00 2.18 -0.29 0.00 0.02 0.00 0.00 54.13 56.05 2qjb s LEU 33 Cb 0.00 -4.58 -0.11 0.00 0.02 0.00 0.00 46.19 41.52 2qjb s LEU 33 CO 0.00 -1.23 1.48 -2.16 0.02 0.00 0.00 176.35 174.46 2qjb s PRO 34 N -3.28 4.16 0.00 1.29 0.04 -1.26 -4.58 135.00 131.37 2qjb s PRO 34 Ca 0.73 2.50 0.00 0.00 0.04 0.00 0.00 61.00 64.27 2qjb s PRO 34 Cb -0.24 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2qjb s PRO 34 CO 0.27 -0.49 0.02 1.97 0.04 0.00 0.00 177.00 178.81 2qjb n PHE 35 N 1.02 0.00 -4.94 0.56 1.16 -0.70 -4.88 117.46 109.69 2qjb n PHE 35 Ca 0.03 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.28 2qjb n PHE 35 Cb 0.39 0.00 -0.16 0.00 -1.61 0.00 0.00 39.48 38.10 2qjb n PHE 35 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2qjb s LEU 36 N -0.01 2.18 -0.19 5.98 2.96 -0.59 -4.98 118.68 124.03 2qjb s LEU 36 Ca 0.00 -0.55 -0.10 0.00 -0.22 0.00 0.00 54.13 53.26 2qjb s LEU 36 Cb 0.00 -1.45 -0.05 0.00 0.50 0.00 0.00 46.19 45.19 2qjb s LEU 36 CO 0.00 0.13 0.15 -0.75 -1.32 0.00 0.00 176.35 174.56 2qjb s LYS 37 N 0.55 4.20 0.14 1.98 2.20 -1.26 -1.10 119.74 126.44 2qjb s LYS 37 Ca -0.13 -0.18 0.03 0.00 -0.36 0.00 0.00 55.97 55.33 2qjb s LYS 37 Cb -0.17 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 2qjb s LYS 37 CO 0.04 0.29 -0.05 0.00 -0.36 0.00 0.00 175.35 175.27 2qjb s TYR 39 N -3.52 3.20 -0.00 0.00 2.02 -1.26 0.15 117.35 117.94 2qjb s TYR 39 Ca 0.18 1.60 0.01 0.00 -0.37 0.00 0.00 57.07 58.49 2qjb s TYR 39 Cb 0.05 -2.92 -0.00 0.00 -0.40 0.00 0.00 41.96 38.68 2qjb s TYR 39 CO 0.00 -0.36 -0.04 0.00 -1.57 0.00 0.00 175.55 173.59 2qjb n SER 41 N 2.99 1.21 -0.00 0.00 2.88 0.49 -4.72 113.62 116.47 2qjb n SER 41 Ca -0.13 0.17 0.04 0.00 -1.33 0.00 0.00 58.87 57.63 2qjb n SER 41 Cb 0.59 -0.42 -0.06 0.00 -0.75 0.00 0.00 64.21 63.57 2qjb n SER 41 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2qjb n HIS 42 N -3.64 0.00 -1.33 0.66 8.25 -1.26 -4.54 115.22 113.36 2qjb n HIS 42 Ca -0.03 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.22 2qjb n HIS 42 Cb 0.13 -0.04 0.16 0.00 1.12 0.00 0.00 29.99 31.36 2qjb n HIS 42 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2qjb n HIS 43 N -1.33 2.61 -2.42 4.41 8.25 -1.25 -4.98 115.22 120.50 2qjb n HIS 43 Ca 0.01 -1.99 -0.38 0.00 -0.26 0.00 0.00 57.72 55.10 2qjb n HIS 43 Cb 0.16 -0.90 -0.03 0.00 1.12 0.00 0.00 29.99 30.35 2qjb n HIS 43 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qjb s PRO 45 N -2.33 2.58 0.00 0.00 0.04 -1.26 -4.87 135.00 129.16 2qjb s PRO 45 Ca 0.57 1.47 0.16 0.00 0.04 0.00 0.00 61.00 63.24 2qjb s PRO 45 Cb -0.27 -1.92 0.86 0.00 0.04 0.00 0.00 34.50 33.21 2qjb s PRO 45 CO 0.34 -1.44 1.44 0.39 0.04 0.00 0.00 177.00 177.77 2qjb n GLU 46 N -2.57 0.31 -0.17 4.56 4.71 -1.26 -1.56 120.64 124.65 2qjb n GLU 46 Ca 0.11 0.10 0.09 0.00 -0.01 0.00 0.00 57.16 57.45 2qjb n GLU 46 Cb 0.52 -1.50 0.13 0.00 -1.01 0.00 0.00 31.44 29.58 2qjb n GLU 46 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 2qjb n ASP 47 N -1.21 2.05 -4.77 1.62 5.75 -1.26 -5.04 116.55 113.69 2qjb n ASP 47 Ca 0.09 -3.04 -0.41 0.00 -0.01 0.00 0.00 54.79 51.42 2qjb n ASP 47 Cb 0.11 -0.41 -0.01 0.00 -1.03 0.00 0.00 41.12 39.78 2qjb n ASP 47 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qjb s ALA 48 N -2.60 3.64 0.10 2.12 0.00 -0.60 -5.03 121.76 119.38 2qjb s ALA 48 Ca 0.29 1.58 0.07 0.00 0.00 0.00 0.00 51.96 53.91 2qjb s ALA 48 Cb 0.26 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 2qjb s ALA 48 CO 0.02 -1.04 -0.11 0.96 0.00 0.00 0.00 175.76 175.59 2qjb s ILE 49 N -0.72 3.32 -1.83 0.00 -4.36 -1.25 -4.64 121.20 111.72 2qjb s ILE 49 Ca 0.57 -1.25 -0.23 0.00 -0.26 0.00 0.00 60.65 59.47 2qjb s ILE 49 Cb -0.47 -2.54 0.23 0.00 1.25 0.00 0.00 42.46 40.93 2qjb s ILE 49 CO 0.58 0.14 0.59 0.59 0.24 0.00 0.00 174.94 177.08 2qjb n ASN 50 N 0.80 -1.85 -3.76 4.36 3.02 -1.26 -1.67 115.26 114.91 2qjb n ASN 50 Ca -0.14 -1.19 -0.26 0.00 -0.03 0.00 0.00 54.58 52.96 2qjb n ASN 50 Cb 0.52 -1.62 0.05 0.00 -0.61 0.00 0.00 39.78 38.13 2qjb n ASN 50 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2qjb n ASN 51 N -2.44 -4.76 -4.30 6.41 3.02 -1.26 -4.92 115.26 107.01 2qjb n ASN 51 Ca 0.12 -0.69 -0.16 0.00 -0.03 0.00 0.00 54.58 53.81 2qjb n ASN 51 Cb 0.45 -4.37 -0.10 0.00 -0.61 0.00 0.00 39.78 35.16 2qjb n ASN 51 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2qjb s THR 52 N -3.35 1.37 0.14 3.41 -4.23 -0.67 -1.08 115.64 111.23 2qjb s THR 52 Ca 0.52 -2.11 -0.07 0.00 -1.18 0.00 0.00 61.69 58.85 2qjb s THR 52 Cb -0.25 -2.02 -0.02 0.00 1.34 0.00 0.00 72.50 71.56 2qjb s THR 52 CO 0.79 -0.61 0.22 0.00 -0.54 0.00 0.00 174.62 174.47 2qjb s ILE 54 N -3.97 2.34 0.13 0.00 -4.36 -1.26 -0.31 121.20 113.78 2qjb s ILE 54 Ca 0.17 -2.30 -0.25 0.00 -0.26 0.00 0.00 60.65 58.01 2qjb s ILE 54 Cb 0.04 -2.22 0.07 0.00 1.25 0.00 0.00 42.46 41.61 2qjb s ILE 54 CO -0.01 -0.37 0.92 0.28 0.24 0.00 0.00 174.94 176.00 2qjb s THR 55 N -2.38 0.00 -0.84 8.37 -1.32 -0.26 -4.97 115.64 114.24 2qjb s THR 55 Ca 0.27 -0.52 0.15 0.00 -1.21 0.00 0.00 61.69 60.38 2qjb s THR 55 Cb -0.05 -1.75 0.50 0.00 -1.51 0.00 0.00 72.50 69.69 2qjb s THR 55 CO 0.13 0.00 1.42 -0.46 -2.21 0.00 0.00 174.62 173.50 2qjb n ASN 56 N -0.42 3.77 0.00 8.08 2.04 -1.26 -1.54 115.26 125.93 2qjb n ASN 56 Ca -0.07 -2.40 0.00 0.00 -0.44 0.00 0.00 54.58 51.67 2qjb n ASN 56 Cb 0.61 -0.43 0.00 0.00 -2.53 0.00 0.00 39.78 37.43 2qjb n ASN 56 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2qjb n GLY 57 N 0.48 1.01 3.16 4.83 0.00 -1.23 -4.36 105.19 109.07 2qjb n GLY 57 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 2qjb n GLY 57 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qjb s HIS 58 N 1.74 0.66 0.17 1.61 3.76 -1.01 -4.90 115.29 117.30 2qjb s HIS 58 Ca 0.00 -1.08 -0.08 0.00 -0.15 0.00 0.00 55.06 53.74 2qjb s HIS 58 Cb 0.00 -0.37 -0.06 0.00 1.11 0.00 0.00 32.58 33.25 2qjb s HIS 58 CO 0.00 -0.50 0.46 0.00 -0.85 0.00 0.00 174.74 173.85 2qjb s PHE 60 N -1.66 1.13 -0.03 0.00 -0.12 0.91 -2.06 117.98 116.15 2qjb s PHE 60 Ca 0.42 -0.68 0.01 0.00 -0.05 0.00 0.00 56.93 56.63 2qjb s PHE 60 Cb -0.12 -0.60 0.02 0.00 -0.63 0.00 0.00 43.02 41.69 2qjb s PHE 60 CO 0.22 0.02 -0.02 0.99 -0.05 0.00 0.00 175.22 176.38 2qjb s THR 61 N -2.64 0.35 0.01 -4.49 2.01 -0.68 -1.57 115.64 108.62 2qjb s THR 61 Ca 0.08 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.08 2qjb s THR 61 Cb -0.02 -0.40 -0.01 0.00 0.01 0.00 0.00 72.50 72.08 2qjb s THR 61 CO 0.00 0.18 -0.08 -0.32 -0.69 0.00 0.00 174.62 173.71 2qjb s MET 62 N 0.90 0.56 -0.12 4.92 0.00 -0.52 -1.26 119.30 123.77 2qjb s MET 62 Ca -0.10 -0.43 -0.03 0.00 0.00 0.00 0.00 55.69 55.13 2qjb s MET 62 Cb -0.13 -0.48 -0.03 0.00 0.00 0.00 0.00 34.83 34.18 2qjb s MET 62 CO -0.01 0.12 -0.03 -1.50 0.00 0.00 0.00 175.02 173.61 2qjb s ILE 63 N -0.57 4.01 0.13 10.11 2.07 -0.62 -0.64 121.20 135.69 2qjb s ILE 63 Ca -0.01 -0.34 0.02 0.00 -1.41 0.00 0.00 60.65 58.91 2qjb s ILE 63 Cb -0.05 -2.72 -0.04 0.00 0.13 0.00 0.00 42.46 39.78 2qjb s ILE 63 CO 0.00 0.54 -0.04 -1.83 -1.91 0.00 0.00 174.94 171.70 2qjb s GLU 64 N -0.16 0.95 -0.09 3.50 -1.05 -0.95 -1.00 118.70 119.89 2qjb s GLU 64 Ca 0.03 -1.42 -0.03 0.00 -0.15 0.00 0.00 54.97 53.41 2qjb s GLU 64 Cb -0.13 -0.22 -0.04 0.00 -0.44 0.00 0.00 34.13 33.31 2qjb s GLU 64 CO 0.02 -0.07 0.04 -2.00 0.95 0.00 0.00 175.26 174.21 2qjb s GLU 65 N -3.87 3.11 0.55 -4.83 2.12 -0.80 -1.35 118.70 113.63 2qjb s GLU 65 Ca 0.17 -0.33 0.09 0.00 0.36 0.00 0.00 54.97 55.26 2qjb s GLU 65 Cb 0.06 -2.91 0.07 0.00 0.26 0.00 0.00 34.13 31.61 2qjb s GLU 65 CO -0.01 0.72 0.75 0.16 -0.54 0.00 0.00 175.26 176.34 2qjb s ASP 66 N -0.96 5.15 0.07 -1.70 1.47 0.64 -4.70 116.67 116.63 2qjb s ASP 66 Ca 0.14 -0.81 0.16 0.00 1.18 0.00 0.00 52.55 53.22 2qjb s ASP 66 Cb -0.12 0.18 0.69 0.00 -0.34 0.00 0.00 42.92 43.34 2qjb s ASP 66 CO 0.03 -1.26 1.51 0.47 0.68 0.00 0.00 175.17 176.61 2qjb n ASP 67 N -2.17 0.17 -1.22 2.11 9.92 -1.26 -0.98 116.55 123.12 2qjb n ASP 67 Ca 0.14 0.54 0.09 0.00 -0.53 0.00 0.00 54.79 55.03 2qjb n ASP 67 Cb 0.61 -0.58 0.29 0.00 -0.64 0.00 0.00 41.12 40.80 2qjb n ASP 67 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qjb n GLN 68 N -1.69 3.29 0.00 -1.24 1.13 -1.26 -4.94 117.38 112.68 2qjb n GLN 68 Ca 0.03 -2.65 0.00 0.00 -1.94 0.00 0.00 57.00 52.44 2qjb n GLN 68 Cb 0.18 -1.69 0.00 0.00 0.11 0.00 0.00 30.24 28.83 2qjb n GLN 68 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qjb n GLY 69 N 0.78 2.73 3.74 1.08 0.00 -0.15 -5.00 105.19 108.38 2qjb n GLY 69 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2qjb n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qjb s GLU 70 N -0.10 4.27 0.39 1.61 0.41 -1.26 -4.70 118.70 119.32 2qjb s GLU 70 Ca 0.00 2.28 0.08 0.00 -0.41 0.00 0.00 54.97 56.92 2qjb s GLU 70 Cb 0.00 -3.12 -0.01 0.00 -1.78 0.00 0.00 34.13 29.22 2qjb s GLU 70 CO 0.00 -0.42 0.46 0.95 -0.49 0.00 0.00 175.26 175.75 2qjb s THR 71 N 0.10 3.24 -0.14 3.63 -4.23 -1.26 -0.26 115.64 116.72 2qjb s THR 71 Ca 0.60 -1.14 -0.13 0.00 -1.18 0.00 0.00 61.69 59.84 2qjb s THR 71 Cb -0.41 -3.12 0.04 0.00 1.34 0.00 0.00 72.50 70.34 2qjb s THR 71 CO 0.42 -0.06 0.38 0.42 -0.54 0.00 0.00 174.62 175.23 2qjb s THR 72 N -2.33 -0.00 -0.20 3.99 -4.23 -0.46 -4.93 115.64 107.47 2qjb s THR 72 Ca 0.49 0.01 -0.16 0.00 -1.18 0.00 0.00 61.69 60.85 2qjb s THR 72 Cb -0.08 -0.53 -0.04 0.00 1.34 0.00 0.00 72.50 73.20 2qjb s THR 72 CO 0.30 0.00 0.42 -0.76 -0.54 0.00 0.00 174.62 174.04 2qjb s LEU 73 N 0.33 4.15 0.36 4.79 1.02 -1.26 -2.25 118.68 125.82 2qjb s LEU 73 Ca -0.01 0.54 0.07 0.00 0.02 0.00 0.00 54.13 54.75 2qjb s LEU 73 Cb -0.03 -2.54 -0.07 0.00 0.02 0.00 0.00 46.19 43.57 2qjb s LEU 73 CO -0.01 -0.09 -0.02 0.42 0.02 0.00 0.00 176.35 176.67 2qjb s THR 74 N 1.35 1.91 -0.11 5.49 -4.23 0.19 -4.68 115.64 115.56 2qjb s THR 74 Ca 0.20 -2.07 -0.31 0.00 -1.18 0.00 0.00 61.69 58.33 2qjb s THR 74 Cb -0.15 -2.81 0.12 0.00 1.34 0.00 0.00 72.50 71.01 2qjb s THR 74 CO 0.08 -0.09 1.03 -0.94 -0.54 0.00 0.00 174.62 174.16 2qjb s SER 75 N -3.62 -0.29 0.00 3.99 1.04 -1.26 -1.44 113.70 112.12 2qjb s SER 75 Ca 0.34 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.89 2qjb s SER 75 Cb 0.07 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2qjb s SER 75 CO 0.16 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2qjb n GLY 76 N 0.12 -0.57 3.45 7.32 0.00 -0.61 -0.38 105.19 114.52 2qjb n GLY 76 Ca -0.06 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 2qjb n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qjb s LEU 78 N -0.76 2.97 0.84 0.00 1.02 0.07 -4.93 118.68 117.90 2qjb s LEU 78 Ca 0.11 -0.22 -0.12 0.00 0.02 0.00 0.00 54.13 53.92 2qjb s LEU 78 Cb -0.10 -1.69 0.10 0.00 0.02 0.00 0.00 46.19 44.52 2qjb s LEU 78 CO 0.01 0.18 1.19 -0.83 0.02 0.00 0.00 176.35 176.91 2qjb s GLY 79 N 0.28 2.01 0.18 -3.19 0.00 -1.26 -2.41 107.32 102.92 2qjb s GLY 79 Ca -0.07 0.76 -0.14 0.00 0.00 0.00 0.00 44.72 45.28 2qjb s GLY 79 CO 0.04 1.18 1.81 -2.00 0.00 0.00 0.00 173.10 174.13 2qjb h LEU 80 N -1.20 0.48 -9.51 0.66 5.85 -1.91 -3.32 115.31 106.35 2qjb h LEU 80 Ca -0.45 0.01 -0.53 0.00 0.84 0.00 0.00 57.88 57.75 2qjb h LEU 80 Cb 1.29 -0.09 0.03 0.00 0.37 0.00 0.00 40.66 42.25 2qjb h LEU 80 CO 0.45 0.34 0.97 -0.70 -0.34 0.00 0.00 178.44 179.16 2qjb s GLU 81 N -6.14 4.20 0.00 1.25 2.12 -1.26 -2.51 118.70 116.36 2qjb s GLU 81 Ca -0.13 2.37 0.00 0.00 0.36 0.00 0.00 54.97 57.57 2qjb s GLU 81 Cb 0.13 -3.43 0.00 0.00 0.26 0.00 0.00 34.13 31.08 2qjb s GLU 81 CO 0.74 -0.70 0.00 0.41 -0.54 0.00 0.00 175.26 175.17 2qjb n GLY 82 N 3.94 0.87 0.33 -1.50 0.00 -1.26 -4.88 105.19 102.69 2qjb n GLY 82 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.25 2qjb n GLY 82 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qjb h SER 83 N 0.00 0.39 -0.11 1.61 4.64 -1.59 -2.00 113.55 116.48 2qjb h SER 83 Ca 0.00 -0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 2qjb h SER 83 Cb 0.01 -0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 61.95 2qjb h SER 83 CO 0.00 0.26 -0.47 0.44 -0.87 0.00 0.00 176.83 176.19 2qjb h ASP 84 N 0.45 -1.47 -0.13 4.97 3.32 -1.90 0.05 116.42 121.71 2qjb h ASP 84 Ca 0.20 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.44 2qjb h ASP 84 Cb 0.24 0.58 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 2qjb h ASP 84 CO -0.05 -0.46 0.08 -0.26 -1.72 0.00 0.00 179.24 176.83 2qjb h PHE 85 N -0.54 0.15 -0.35 4.55 0.04 -1.83 -2.71 116.94 116.25 2qjb h PHE 85 Ca 0.06 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.76 2qjb h PHE 85 Cb 0.66 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 2qjb h PHE 85 CO -0.52 0.09 -0.08 1.96 -0.60 0.00 0.00 178.31 179.17 2qjb h GLN 86 N 0.16 0.66 -0.33 1.51 4.20 -1.16 -0.58 115.11 119.58 2qjb h GLN 86 Ca 0.05 -0.25 -0.06 0.00 0.06 0.00 0.00 58.65 58.45 2qjb h GLN 86 Cb -0.01 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2qjb h GLN 86 CO -0.02 0.83 -0.04 0.00 -0.67 0.00 0.00 178.83 178.93 2qjb h ARG 88 N 0.50 0.19 0.00 0.00 -0.00 -1.36 -3.45 114.38 110.26 2qjb h ARG 88 Ca 0.10 -0.13 0.16 0.00 -0.50 0.00 0.00 59.98 59.62 2qjb h ARG 88 Cb 0.38 0.02 -0.04 0.00 0.00 0.00 0.00 29.97 30.33 2qjb h ARG 88 CO 0.02 0.72 -0.21 -3.47 0.00 0.00 0.00 179.97 177.03 2qjb n ASP 89 N -4.63 -4.10 -4.76 7.04 -0.08 -0.24 -4.83 116.55 104.95 2qjb n ASP 89 Ca -0.08 0.62 -0.36 0.00 -1.51 0.00 0.00 54.79 53.47 2qjb n ASP 89 Cb 0.37 -1.75 -0.08 0.00 2.34 0.00 0.00 41.12 42.00 2qjb n ASP 89 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2qjb s THR 90 N -1.27 4.77 0.58 5.18 2.01 -1.26 -4.99 115.64 120.66 2qjb s THR 90 Ca 0.00 -0.07 0.43 0.00 0.31 0.00 0.00 61.69 62.36 2qjb s THR 90 Cb 0.00 -3.04 0.43 0.00 0.01 0.00 0.00 72.50 69.91 2qjb s THR 90 CO 0.00 0.61 2.31 1.55 -0.69 0.00 0.00 174.62 178.40 2qjb h PRO 91 N 5.11 0.00 -2.07 4.92 0.13 -2.00 -3.35 132.00 134.73 2qjb h PRO 91 Ca -0.52 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.04 2qjb h PRO 91 Cb 1.21 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 2qjb h PRO 91 CO 0.56 0.00 -0.94 0.44 -0.23 0.00 0.00 178.00 177.83 2qjb n ILE 92 N -3.04 0.49 -1.78 -3.56 -6.64 -1.26 -5.04 119.36 98.53 2qjb n ILE 92 Ca -0.03 -4.52 -0.29 0.00 -1.77 0.00 0.00 62.75 56.14 2qjb n ILE 92 Cb 0.09 -1.79 0.09 0.00 -1.44 0.00 0.00 39.64 36.59 2qjb n ILE 92 CO 0.00 0.00 0.00 -2.84 -1.77 0.00 0.00 176.55 171.94 2qjb s PRO 93 N -1.83 1.97 0.51 6.28 0.02 -1.26 -4.97 135.00 135.71 2qjb s PRO 93 Ca 0.38 0.27 0.23 0.00 0.02 0.00 0.00 61.00 61.89 2qjb s PRO 93 Cb 0.19 -1.94 1.36 0.00 0.02 0.00 0.00 34.50 34.14 2qjb s PRO 93 CO -0.08 -1.62 2.09 0.45 -0.33 0.00 0.00 177.00 177.50 2qjb h HIS 94 N -1.08 0.00 -3.35 6.54 3.86 -1.99 -3.41 115.15 115.72 2qjb h HIS 94 Ca -0.47 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.14 2qjb h HIS 94 Cb 1.31 0.00 -0.34 0.00 1.06 0.00 0.00 27.41 29.44 2qjb h HIS 94 CO 0.36 0.11 -0.85 -0.65 0.86 0.00 0.00 177.93 177.76 2qjb s GLN 95 N -4.49 2.37 0.07 2.45 -1.52 -1.26 -5.10 119.66 112.18 2qjb s GLN 95 Ca -0.04 -0.64 -0.35 0.00 -1.95 0.00 0.00 55.36 52.39 2qjb s GLN 95 Cb 0.15 -1.89 -0.14 0.00 -0.22 0.00 0.00 33.01 30.91 2qjb s GLN 95 CO 0.62 0.06 1.62 -2.13 -0.25 0.00 0.00 175.29 175.21 2qjb n ARG 96 N 3.80 1.94 -3.98 2.91 0.63 -1.26 -4.85 116.66 115.85 2qjb n ARG 96 Ca -0.20 0.70 -0.09 0.00 -0.92 0.00 0.00 57.85 57.33 2qjb n ARG 96 Cb 0.52 -2.46 -0.06 0.00 0.45 0.00 0.00 32.46 30.91 2qjb n ARG 96 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 2qjb s ARG 97 N 1.72 1.44 -0.15 -0.14 1.70 -1.26 -1.90 118.95 120.36 2qjb s ARG 97 Ca 0.84 -1.22 -0.07 0.00 -0.47 0.00 0.00 55.73 54.81 2qjb s ARG 97 Cb -0.75 0.45 0.06 0.00 -0.57 0.00 0.00 34.95 34.14 2qjb s ARG 97 CO 0.44 -0.58 0.34 0.45 -1.08 0.00 0.00 175.30 174.87 2qjb s SER 98 N -3.00 -0.20 -0.09 -2.89 0.15 -0.17 -4.53 113.70 102.97 2qjb s SER 98 Ca 0.21 0.76 0.02 0.00 0.70 0.00 0.00 55.95 57.64 2qjb s SER 98 Cb 0.00 0.80 -0.02 0.00 -1.71 0.00 0.00 66.02 65.09 2qjb s SER 98 CO 0.06 -0.21 -0.14 -0.51 1.20 0.00 0.00 173.24 173.64 2qjb s ILE 99 N 1.87 2.99 0.05 6.45 2.07 -1.26 -1.58 121.20 131.78 2qjb s ILE 99 Ca -0.05 -0.72 0.06 0.00 -1.41 0.00 0.00 60.65 58.53 2qjb s ILE 99 Cb -0.10 -2.21 -0.02 0.00 0.13 0.00 0.00 42.46 40.25 2qjb s ILE 99 CO -0.11 0.56 -0.17 -1.61 -1.91 0.00 0.00 174.94 171.70 2qjb s GLU 100 N -0.19 1.11 0.17 3.50 2.02 -0.39 -4.92 118.70 120.01 2qjb s GLU 100 Ca -0.00 -0.86 0.08 0.00 0.02 0.00 0.00 54.97 54.21 2qjb s GLU 100 Cb -0.13 -1.18 -0.04 0.00 0.10 0.00 0.00 34.13 32.87 2qjb s GLU 100 CO 0.03 0.29 -0.17 0.00 0.02 0.00 0.00 175.26 175.44 2qjb n ARG 103 N -0.42 2.09 -4.14 0.00 1.74 -1.26 -1.45 116.66 113.21 2qjb n ARG 103 Ca -0.03 -3.53 -0.16 0.00 -0.77 0.00 0.00 57.85 53.35 2qjb n ARG 103 Cb 0.60 -1.64 -0.12 0.00 -1.02 0.00 0.00 32.46 30.29 2qjb n ARG 103 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2qjb s THR 104 N -3.61 0.93 -0.40 0.55 -4.23 -1.26 -5.04 115.64 102.58 2qjb s THR 104 Ca 0.35 -1.28 -0.43 0.00 -1.18 0.00 0.00 61.69 59.16 2qjb s THR 104 Cb 0.36 -0.97 -0.17 0.00 1.34 0.00 0.00 72.50 73.05 2qjb s THR 104 CO -0.03 -0.31 1.81 0.59 -0.54 0.00 0.00 174.62 176.14 2qjb n ASN 105 N 1.25 1.71 0.00 3.99 3.02 -1.26 0.03 115.26 124.00 2qjb n ASN 105 Ca -0.21 0.98 0.00 0.00 -0.03 0.00 0.00 54.58 55.32 2qjb n ASN 105 Cb 0.55 -1.03 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 2qjb n ASN 105 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2qjb n LEU 106 N 5.74 0.49 -0.12 3.41 4.77 0.10 -4.89 117.00 126.50 2qjb n LEU 106 Ca 0.34 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.48 2qjb n LEU 106 Cb 0.05 -1.36 0.55 0.00 -2.33 0.00 0.00 43.42 40.32 2qjb n LEU 106 CO 0.85 -0.45 1.20 0.00 -1.33 0.00 0.00 177.39 177.66 2qjb n ASN 108 N -4.45 0.39 0.23 0.00 2.04 -1.26 -0.69 115.26 111.52 2qjb n ASN 108 Ca 0.13 0.67 0.12 0.00 -0.44 0.00 0.00 54.58 55.05 2qjb n ASN 108 Cb 0.54 -0.72 0.72 0.00 -2.53 0.00 0.00 39.78 37.78 2qjb n ASN 108 CO 0.00 0.00 0.00 0.06 -0.44 0.00 0.00 177.26 176.88 2qjb h GLN 109 N 0.00 0.00 -0.17 -3.83 3.07 -1.69 -2.99 115.11 109.50 2qjb h GLN 109 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2qjb h GLN 109 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.60 2qjb h GLN 109 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 2qjb n TYR 110 N -4.32 0.20 -3.30 0.06 4.02 0.14 -4.89 117.16 109.06 2qjb n TYR 110 Ca -0.01 -0.10 -0.38 0.00 -0.01 0.00 0.00 57.90 57.40 2qjb n TYR 110 Cb 0.17 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.43 2qjb n TYR 110 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2qjb s LEU 111 N -1.76 4.28 -0.53 7.72 1.43 -1.13 -5.02 118.68 123.67 2qjb s LEU 111 Ca 0.34 0.84 0.04 0.00 -1.03 0.00 0.00 54.13 54.32 2qjb s LEU 111 Cb 0.21 -2.71 0.17 0.00 0.03 0.00 0.00 46.19 43.88 2qjb s LEU 111 CO 0.30 -0.00 0.41 1.67 0.23 0.00 0.00 176.35 178.96 2qjb n GLN 112 N 3.66 0.89 -1.85 1.70 -0.06 -1.26 -4.97 117.38 115.49 2qjb n GLN 112 Ca -0.07 -3.72 -0.37 0.00 -2.00 0.00 0.00 57.00 50.83 2qjb n GLN 112 Cb 0.52 -1.92 0.04 0.00 -4.06 0.00 0.00 30.24 24.82 2qjb n GLN 112 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 2qjb s PRO 113 N -0.62 2.96 0.16 3.69 0.04 -1.26 -5.04 135.00 134.93 2qjb s PRO 113 Ca 0.30 2.07 0.05 0.00 0.04 0.00 0.00 61.00 63.46 2qjb s PRO 113 Cb 0.01 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2qjb s PRO 113 CO -0.18 -1.28 -0.12 0.95 0.04 0.00 0.00 177.00 176.41 2qjb s THR 114 N -1.41 1.34 0.47 1.26 -4.23 -1.26 -4.72 115.64 107.09 2qjb s THR 114 Ca 0.76 -2.06 -0.23 0.00 -1.18 0.00 0.00 61.69 58.98 2qjb s THR 114 Cb -0.37 -1.86 -0.07 0.00 1.34 0.00 0.00 72.50 71.55 2qjb s THR 114 CO 0.41 -0.67 1.26 -0.76 -0.54 0.00 0.00 174.62 174.32 2qjb s LEU 115 N -3.12 4.02 0.37 4.79 1.43 -1.26 -4.58 118.68 120.33 2qjb s LEU 115 Ca 0.17 2.53 -0.26 0.00 -1.03 0.00 0.00 54.13 55.55 2qjb s LEU 115 Cb 0.01 -4.16 -0.09 0.00 0.03 0.00 0.00 46.19 41.98 2qjb s LEU 115 CO 0.02 -1.09 1.14 -2.84 0.23 0.00 0.00 176.35 173.81 2qjb s PRO 116 N -2.64 4.20 0.41 1.29 0.02 -1.26 -4.95 135.00 132.07 2qjb s PRO 116 Ca 0.64 1.78 -0.25 0.00 0.02 0.00 0.00 61.00 63.19 2qjb s PRO 116 Cb -0.35 -2.76 -0.11 0.00 0.02 0.00 0.00 34.50 31.30 2qjb s PRO 116 CO 0.42 -0.18 1.04 -2.30 -0.33 0.00 0.00 177.00 175.66 2qjb n PRO 117 N 0.28 1.43 0.00 5.54 -0.02 -1.26 -4.75 135.00 136.22 2qjb n PRO 117 Ca 0.03 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2qjb n PRO 117 Cb 0.47 -2.06 0.02 0.00 -0.02 0.00 0.00 33.50 31.91 2qjb n PRO 117 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2qjb n VAL 118 N -0.37 0.00 -0.91 -1.45 0.24 -1.26 -4.87 118.33 109.70 2qjb n VAL 118 Ca 0.09 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.04 2qjb n VAL 118 Cb 0.38 -0.24 -0.04 0.00 -1.47 0.00 0.00 33.84 32.47 2qjb n VAL 118 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 2qjb n VAL 119 N -0.52 0.24 0.00 3.34 3.14 -1.26 -4.85 118.33 118.41 2qjb n VAL 119 Ca 0.01 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 2qjb n VAL 119 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2qjb n VAL 119 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 2qjb n ILE 120 N 0.75 0.00 -0.31 1.55 2.08 -1.26 -5.22 119.36 116.94 2qjb n ILE 120 Ca 0.12 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.43 2qjb n ILE 120 Cb 0.07 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.96 2qjb n ILE 120 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72