#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uqs s ILE 1 N 0.00 2.08 -0.05 1.12 2.07 -1.26 -5.13 121.20 120.03 1uqs s ILE 1 Ca 0.00 -2.12 -0.02 0.00 -1.41 0.00 0.00 60.65 57.09 1uqs s ILE 1 Cb 0.00 -2.05 0.03 0.00 0.13 0.00 0.00 42.46 40.57 1uqs s ILE 1 CO 0.00 -0.35 0.09 -1.10 -1.91 0.00 0.00 174.94 171.66 1uqs s GLN 2 N -3.12 -0.05 -0.14 3.50 -0.21 -1.26 -4.67 119.66 113.71 1uqs s GLN 2 Ca 0.22 0.42 -0.01 0.00 0.02 0.00 0.00 55.36 56.01 1uqs s GLN 2 Cb -0.05 -0.43 -0.02 0.00 1.00 0.00 0.00 33.01 33.51 1uqs s GLN 2 CO 0.09 -0.31 -0.11 1.03 -2.12 0.00 0.00 175.29 173.87 1uqs s ARG 3 N 2.14 3.42 0.44 2.91 0.52 -0.53 -4.92 118.95 122.93 1uqs s ARG 3 Ca 0.04 -0.66 -0.24 0.00 -0.52 0.00 0.00 55.73 54.34 1uqs s ARG 3 Cb -0.12 -2.70 -0.08 0.00 0.52 0.00 0.00 34.95 32.57 1uqs s ARG 3 CO -0.04 0.18 1.24 -0.08 0.02 0.00 0.00 175.30 176.62 1uqs s THR 4 N 0.46 2.81 0.32 0.02 -1.32 -1.26 -0.59 115.64 116.08 1uqs s THR 4 Ca -0.08 0.66 -0.17 0.00 -1.21 0.00 0.00 61.69 60.89 1uqs s THR 4 Cb -0.15 -3.36 -0.09 0.00 -1.51 0.00 0.00 72.50 67.38 1uqs s THR 4 CO 0.04 0.05 0.78 -2.16 -2.21 0.00 0.00 174.62 171.12 1uqs s PRO 5 N -2.47 4.12 -0.15 7.08 0.04 -1.26 -3.93 135.00 138.42 1uqs s PRO 5 Ca 0.61 0.81 -0.07 0.00 0.04 0.00 0.00 61.00 62.39 1uqs s PRO 5 Cb -0.34 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 1uqs s PRO 5 CO 0.42 0.18 0.09 0.21 0.04 0.00 0.00 177.00 177.94 1uqs s LYS 6 N -2.78 3.72 -0.11 4.56 2.20 -0.01 -4.90 119.74 122.43 1uqs s LYS 6 Ca 0.53 -0.27 0.03 0.00 -0.36 0.00 0.00 55.97 55.90 1uqs s LYS 6 Cb -0.12 -3.19 -0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1uqs s LYS 6 CO 0.18 0.49 -0.21 0.42 -0.36 0.00 0.00 175.35 175.87 1uqs s ILE 7 N -0.22 2.33 -0.01 5.43 1.09 -1.26 -1.15 121.20 127.42 1uqs s ILE 7 Ca 0.09 -0.92 0.04 0.00 -1.10 0.00 0.00 60.65 58.76 1uqs s ILE 7 Cb -0.12 -1.92 -0.01 0.00 -1.06 0.00 0.00 42.46 39.35 1uqs s ILE 7 CO 0.01 0.55 -0.12 -1.10 -0.10 0.00 0.00 174.94 174.18 1uqs s GLN 8 N 0.42 0.96 0.05 2.79 -0.21 -1.12 -5.01 119.66 117.55 1uqs s GLN 8 Ca -0.15 -0.44 0.06 0.00 0.02 0.00 0.00 55.36 54.85 1uqs s GLN 8 Cb -0.17 -0.93 -0.02 0.00 1.00 0.00 0.00 33.01 32.88 1uqs s GLN 8 CO 0.07 0.25 -0.16 0.08 -2.12 0.00 0.00 175.29 173.41 1uqs s VAL 9 N -0.31 1.27 -0.10 1.09 1.01 -1.26 -1.07 120.40 121.04 1uqs s VAL 9 Ca 0.04 -1.12 -0.32 0.00 0.00 0.00 0.00 61.98 60.59 1uqs s VAL 9 Cb -0.05 -1.15 0.12 0.00 0.00 0.00 0.00 36.38 35.31 1uqs s VAL 9 CO -0.00 0.01 1.07 -0.72 0.00 0.00 0.00 175.10 175.46 1uqs s TYR 10 N -0.91 -0.22 0.02 5.22 1.13 0.45 -4.85 117.35 118.19 1uqs s TYR 10 Ca 0.03 0.12 -0.09 0.00 -1.41 0.00 0.00 57.07 55.72 1uqs s TYR 10 Cb -0.08 0.53 -0.05 0.00 -1.10 0.00 0.00 41.96 41.25 1uqs s TYR 10 CO 0.02 -0.37 0.32 -1.54 -2.51 0.00 0.00 175.55 171.47 1uqs s SER 11 N -2.36 6.58 0.49 -0.18 1.04 -1.25 0.28 113.70 118.31 1uqs s SER 11 Ca 0.08 0.69 0.24 0.00 0.48 0.00 0.00 55.95 57.43 1uqs s SER 11 Cb -0.01 -2.14 1.29 0.00 0.10 0.00 0.00 66.02 65.26 1uqs s SER 11 CO -0.06 0.25 2.03 -0.09 0.98 0.00 0.00 173.24 176.34 1uqs h ARG 12 N 4.07 0.00 -4.03 4.02 2.43 0.11 -3.43 114.38 117.54 1uqs h ARG 12 Ca -0.50 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.45 1uqs h ARG 12 Cb 1.20 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 30.52 1uqs h ARG 12 CO 0.65 0.16 -0.71 -1.01 -1.51 0.00 0.00 179.97 177.54 1uqs s HIS 13 N -4.26 0.27 -0.30 2.20 3.76 -1.26 -4.98 115.29 110.72 1uqs s HIS 13 Ca -0.03 -0.35 -0.34 0.00 -0.15 0.00 0.00 55.06 54.19 1uqs s HIS 13 Cb 0.14 -0.18 -0.10 0.00 1.11 0.00 0.00 32.58 33.54 1uqs s HIS 13 CO 0.62 -0.11 2.15 -0.35 -0.85 0.00 0.00 174.74 176.20 1uqs n PRO 14 N 2.07 1.33 -1.90 8.40 -0.04 -1.26 -4.83 135.00 138.76 1uqs n PRO 14 Ca -0.20 0.38 -0.41 0.00 -0.04 0.00 0.00 63.50 63.23 1uqs n PRO 14 Cb 0.56 -2.60 -0.01 0.00 -0.04 0.00 0.00 33.50 31.41 1uqs n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uqs s ALA 15 N 7.10 3.62 -0.25 0.55 0.00 -1.26 -5.00 121.76 126.52 1uqs s ALA 15 Ca 1.06 1.46 0.01 0.00 0.00 0.00 0.00 51.96 54.49 1uqs s ALA 15 Cb -0.76 -3.58 0.04 0.00 0.00 0.00 0.00 23.12 18.82 1uqs s ALA 15 CO 0.47 -0.89 -0.10 -2.00 0.00 0.00 0.00 175.76 173.25 1uqs s GLU 16 N -1.22 2.53 0.09 0.00 2.12 -1.26 -5.07 118.70 115.90 1uqs s GLU 16 Ca 0.56 -1.16 -0.36 0.00 0.36 0.00 0.00 54.97 54.37 1uqs s GLU 16 Cb -0.45 -2.90 -0.18 0.00 0.26 0.00 0.00 34.13 30.87 1uqs s GLU 16 CO 0.53 -0.48 1.13 0.09 -0.54 0.00 0.00 175.26 175.99 1uqs n ASN 17 N 4.55 0.73 0.00 -1.70 4.13 -1.26 0.75 115.26 122.46 1uqs n ASN 17 Ca -0.16 1.14 0.00 0.00 1.68 0.00 0.00 54.58 57.24 1uqs n ASN 17 Cb 0.45 -1.08 0.00 0.00 -1.54 0.00 0.00 39.78 37.61 1uqs n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1uqs n GLY 18 N 1.99 1.49 3.27 7.41 0.00 0.17 -4.93 105.19 114.59 1uqs n GLY 18 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1uqs n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uqs s LYS 19 N -0.57 3.15 -0.23 1.61 2.20 0.23 -4.95 119.74 121.19 1uqs s LYS 19 Ca 0.00 -0.77 -0.42 0.00 -0.36 0.00 0.00 55.97 54.42 1uqs s LYS 19 Cb 0.00 -3.01 -0.18 0.00 -1.51 0.00 0.00 37.83 33.13 1uqs s LYS 19 CO 0.00 -0.29 1.50 0.45 -0.36 0.00 0.00 175.35 176.66 1uqs n SER 20 N 4.75 1.46 -1.33 1.43 2.88 -1.26 -4.42 113.62 117.14 1uqs n SER 20 Ca -0.17 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1uqs n SER 20 Cb 0.49 -1.03 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 1uqs n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1uqs n ASN 21 N 3.73 1.47 -3.85 -3.46 2.85 0.30 -4.97 115.26 111.33 1uqs n ASN 21 Ca 0.25 -0.77 -0.28 0.00 -0.11 0.00 0.00 54.58 53.67 1uqs n ASN 21 Cb 0.08 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 40.93 1uqs n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1uqs s PHE 22 N -0.86 1.66 -0.12 1.20 0.08 -1.26 -1.48 117.98 117.20 1uqs s PHE 22 Ca 0.00 -1.19 -0.26 0.00 0.12 0.00 0.00 56.93 55.60 1uqs s PHE 22 Cb 0.00 -1.28 -0.02 0.00 -0.57 0.00 0.00 43.02 41.14 1uqs s PHE 22 CO 0.00 -0.66 0.83 -1.17 -0.10 0.00 0.00 175.22 174.12 1uqs s LEU 23 N 1.64 4.24 -0.05 -0.37 2.96 -0.15 0.15 118.68 127.10 1uqs s LEU 23 Ca -0.02 1.26 0.05 0.00 -0.22 0.00 0.00 54.13 55.20 1uqs s LEU 23 Cb -0.17 -3.26 -0.02 0.00 0.50 0.00 0.00 46.19 43.25 1uqs s LEU 23 CO -0.07 -0.31 -0.19 0.20 -1.32 0.00 0.00 176.35 174.65 1uqs s ASN 24 N 1.04 3.57 -0.17 3.68 0.01 0.81 -1.16 114.94 122.72 1uqs s ASN 24 Ca 0.40 -0.35 -0.01 0.00 -0.71 0.00 0.00 52.86 52.20 1uqs s ASN 24 Cb -0.17 -0.80 0.05 0.00 0.41 0.00 0.00 41.25 40.73 1uqs s ASN 24 CO 0.16 0.30 -0.03 0.00 -1.51 0.00 0.00 177.10 176.02 1uqs s TYR 26 N 1.69 3.44 -0.01 0.00 5.04 -0.23 0.83 117.35 128.10 1uqs s TYR 26 Ca -0.00 -1.92 -0.18 0.00 -2.44 0.00 0.00 57.07 52.54 1uqs s TYR 26 Cb -0.16 -3.51 -0.06 0.00 0.35 0.00 0.00 41.96 38.58 1uqs s TYR 26 CO -0.07 -0.99 0.49 0.54 -1.34 0.00 0.00 175.55 174.18 1uqs s VAL 27 N 1.21 4.98 0.06 3.14 0.11 -0.41 -2.78 120.40 126.71 1uqs s VAL 27 Ca 0.07 1.02 -0.22 0.00 -2.93 0.00 0.00 61.98 59.92 1uqs s VAL 27 Cb -0.25 -3.82 0.05 0.00 -1.53 0.00 0.00 36.38 30.83 1uqs s VAL 27 CO -0.01 0.49 0.51 -0.94 -3.33 0.00 0.00 175.10 171.82 1uqs s SER 28 N -0.53 -0.43 -0.06 3.54 1.04 -0.30 0.66 113.70 117.62 1uqs s SER 28 Ca 0.27 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.83 1uqs s SER 28 Cb -0.17 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1uqs s SER 28 CO 0.15 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.24 1uqs n GLY 29 N 0.34 0.43 4.00 7.32 0.00 0.17 -0.83 105.19 116.62 1uqs n GLY 29 Ca -0.18 -0.97 -0.19 0.00 0.00 0.00 0.00 46.02 44.68 1uqs n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1uqs s PHE 30 N -2.02 2.02 0.00 1.61 -0.71 -1.05 -4.33 117.98 113.51 1uqs s PHE 30 Ca 0.00 -0.61 0.00 0.00 -1.04 0.00 0.00 56.93 55.28 1uqs s PHE 30 Cb 0.00 -2.23 0.00 0.00 -1.21 0.00 0.00 43.02 39.58 1uqs s PHE 30 CO 0.00 -0.75 0.00 1.58 -1.34 0.00 0.00 175.22 174.71 1uqs n HIS 31 N -2.00 0.00 -2.66 3.49 -0.00 0.24 -1.89 115.22 112.40 1uqs n HIS 31 Ca 0.10 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 58.06 1uqs n HIS 31 Cb 0.61 0.00 0.07 0.00 -0.12 0.00 0.00 29.99 30.55 1uqs n HIS 31 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1uqs s PRO 32 N 0.00 2.09 0.00 1.57 0.04 -1.26 -1.45 135.00 135.98 1uqs s PRO 32 Ca 0.00 -1.05 0.27 0.00 0.04 0.00 0.00 61.00 60.25 1uqs s PRO 32 Cb 0.00 -2.43 1.29 0.00 0.04 0.00 0.00 34.50 33.40 1uqs s PRO 32 CO 0.00 -1.09 1.90 -1.13 0.04 0.00 0.00 177.00 176.72 1uqs n SER 33 N -2.57 0.00 -4.63 6.66 3.41 -1.26 -4.74 113.62 110.49 1uqs n SER 33 Ca 0.12 0.06 -0.43 0.00 -0.26 0.00 0.00 58.87 58.36 1uqs n SER 33 Cb 0.60 -0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 1uqs n SER 33 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1uqs s ASP 34 N -2.68 6.63 0.17 4.04 2.15 -1.26 -4.97 116.67 120.74 1uqs s ASP 34 Ca 0.22 1.34 -0.04 0.00 0.43 0.00 0.00 52.55 54.50 1uqs s ASP 34 Cb 0.18 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 40.23 1uqs s ASP 34 CO 0.43 -1.09 0.17 -0.51 -0.17 0.00 0.00 175.17 173.99 1uqs s ILE 35 N 4.48 0.06 -0.11 4.11 2.07 -1.26 -4.54 121.20 126.02 1uqs s ILE 35 Ca 0.59 -1.76 0.00 0.00 -1.41 0.00 0.00 60.65 58.08 1uqs s ILE 35 Cb -0.19 -2.13 0.02 0.00 0.13 0.00 0.00 42.46 40.30 1uqs s ILE 35 CO 0.24 -0.26 -0.10 -0.70 -1.91 0.00 0.00 174.94 172.21 1uqs s GLU 36 N -4.05 1.70 0.02 3.50 2.12 -0.77 -4.98 118.70 116.24 1uqs s GLU 36 Ca 0.26 -0.35 0.03 0.00 0.36 0.00 0.00 54.97 55.28 1uqs s GLU 36 Cb 0.06 -1.63 -0.01 0.00 0.26 0.00 0.00 34.13 32.80 1uqs s GLU 36 CO 0.05 -0.19 -0.10 0.08 -0.54 0.00 0.00 175.26 174.56 1uqs s VAL 37 N 1.41 0.78 0.00 3.70 1.01 -1.26 -0.58 120.40 125.47 1uqs s VAL 37 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1uqs s VAL 37 Cb -0.13 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.54 1uqs s VAL 37 CO -0.06 0.04 0.00 0.47 0.00 0.00 0.00 175.10 175.55 1uqs n ASP 38 N 2.34 1.72 -2.21 3.32 8.00 -1.06 -4.99 116.55 123.66 1uqs n ASP 38 Ca -0.16 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.30 1uqs n ASP 38 Cb 0.56 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.68 1uqs n ASP 38 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1uqs n LEU 39 N -1.70 -4.78 -4.80 0.64 4.77 -1.25 -4.35 117.00 105.53 1uqs n LEU 39 Ca 0.00 1.45 -0.22 0.00 -0.03 0.00 0.00 56.01 57.21 1uqs n LEU 39 Cb 0.20 -2.48 -0.05 0.00 -2.33 0.00 0.00 43.42 38.76 1uqs n LEU 39 CO 0.00 -2.57 -0.18 -0.76 -1.33 0.00 0.00 177.39 172.55 1uqs s LEU 40 N -0.49 3.68 -0.22 2.23 1.43 0.54 -1.55 118.68 124.30 1uqs s LEU 40 Ca -0.17 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 1uqs s LEU 40 Cb 0.01 -2.22 0.06 0.00 0.03 0.00 0.00 46.19 44.07 1uqs s LEU 40 CO 0.52 -0.09 -0.05 -0.75 0.23 0.00 0.00 176.35 176.21 1uqs s LYS 41 N -3.84 1.53 -1.55 1.70 2.20 0.27 -2.43 119.74 117.62 1uqs s LYS 41 Ca 0.34 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 1uqs s LYS 41 Cb -0.07 -2.47 0.00 0.00 -1.51 0.00 0.00 37.83 33.78 1uqs s LYS 41 CO 0.24 -0.57 0.00 0.09 -0.36 0.00 0.00 175.35 174.75 1uqs n ASN 42 N 4.73 -5.08 0.00 1.43 3.02 0.25 -1.27 115.26 118.33 1uqs n ASN 42 Ca -0.12 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1uqs n ASN 42 Cb 0.45 -4.29 0.00 0.00 -0.61 0.00 0.00 39.78 35.33 1uqs n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uqs n GLY 43 N -0.86 0.77 3.44 7.41 0.00 -1.26 -5.03 105.19 109.66 1uqs n GLY 43 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1uqs n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uqs s GLU 44 N -0.57 3.01 -0.35 1.61 0.41 -0.40 -5.03 118.70 117.39 1uqs s GLU 44 Ca 0.00 -0.66 -0.28 0.00 -0.41 0.00 0.00 54.97 53.62 1uqs s GLU 44 Cb 0.00 -2.56 -0.04 0.00 -1.78 0.00 0.00 34.13 29.76 1uqs s GLU 44 CO 0.00 0.42 2.04 -0.98 -0.49 0.00 0.00 175.26 176.25 1uqs s ARG 45 N -0.18 2.98 0.45 1.61 1.70 -1.26 -0.57 118.95 123.69 1uqs s ARG 45 Ca 0.00 1.52 -0.23 0.00 -0.47 0.00 0.00 55.73 56.55 1uqs s ARG 45 Cb -0.13 -4.34 -0.10 0.00 -0.57 0.00 0.00 34.95 29.81 1uqs s ARG 45 CO 0.03 -2.27 1.02 -0.89 -1.08 0.00 0.00 175.30 172.10 1uqs n ILE 46 N 7.60 2.62 0.00 4.99 5.41 -0.59 -4.95 119.36 134.44 1uqs n ILE 46 Ca 0.27 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.52 1uqs n ILE 46 Cb 0.48 -1.18 0.00 0.00 -0.71 0.00 0.00 39.64 38.23 1uqs n ILE 46 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1uqs n GLU 47 N -0.03 0.00 -2.08 0.38 1.02 -1.26 -4.74 120.64 113.93 1uqs n GLU 47 Ca 0.10 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.86 1uqs n GLU 47 Cb 0.41 -0.01 -0.03 0.00 -0.02 0.00 0.00 31.44 31.79 1uqs n GLU 47 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1uqs s LYS 48 N 0.00 2.66 -0.03 3.49 2.20 -1.26 -4.96 119.74 121.85 1uqs s LYS 48 Ca 0.00 0.50 0.07 0.00 -0.36 0.00 0.00 55.97 56.18 1uqs s LYS 48 Cb 0.00 -4.41 -0.02 0.00 -1.51 0.00 0.00 37.83 31.89 1uqs s LYS 48 CO 0.00 -2.73 -0.25 0.08 -0.36 0.00 0.00 175.35 172.09 1uqs s VAL 49 N 8.89 2.10 0.30 4.02 1.01 -1.26 -4.91 120.40 130.55 1uqs s VAL 49 Ca 0.65 -1.08 0.06 0.00 0.00 0.00 0.00 61.98 61.61 1uqs s VAL 49 Cb -0.12 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 1uqs s VAL 49 CO 0.19 0.58 0.42 -1.61 0.00 0.00 0.00 175.10 174.68 1uqs s GLU 50 N -0.53 3.19 -0.21 2.72 2.02 -1.17 -4.98 118.70 119.76 1uqs s GLU 50 Ca 0.07 -0.95 -0.27 0.00 0.02 0.00 0.00 54.97 53.85 1uqs s GLU 50 Cb -0.11 -2.82 0.08 0.00 0.10 0.00 0.00 34.13 31.39 1uqs s GLU 50 CO -0.00 0.19 0.76 -3.38 0.02 0.00 0.00 175.26 172.86 1uqs s HIS 51 N -2.12 -0.69 0.93 1.61 -3.43 -1.26 -2.13 115.29 108.20 1uqs s HIS 51 Ca 0.41 1.54 -0.14 0.00 -0.80 0.00 0.00 55.06 56.07 1uqs s HIS 51 Cb -0.09 0.33 0.08 0.00 -1.43 0.00 0.00 32.58 31.47 1uqs s HIS 51 CO 0.30 -0.42 -0.05 0.43 -2.00 0.00 0.00 174.74 173.00 1uqs n SER 52 N 2.03 -2.73 -4.89 7.38 7.64 -0.01 -4.94 113.62 118.10 1uqs n SER 52 Ca -0.15 -0.22 -0.33 0.00 1.01 0.00 0.00 58.87 59.17 1uqs n SER 52 Cb 0.56 -0.70 -0.05 0.00 -1.01 0.00 0.00 64.21 63.01 1uqs n SER 52 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1uqs s ASP 53 N -1.63 6.49 0.31 6.43 1.11 -1.26 -4.81 116.67 123.30 1uqs s ASP 53 Ca 0.32 0.55 -0.26 0.00 0.18 0.00 0.00 52.55 53.33 1uqs s ASP 53 Cb -0.03 -2.08 -0.14 0.00 1.07 0.00 0.00 42.92 41.74 1uqs s ASP 53 CO 0.36 0.19 0.74 -0.11 1.18 0.00 0.00 175.17 177.53 1uqs n LEU 54 N 0.74 0.42 -3.58 1.23 7.94 -1.26 -4.94 117.00 117.55 1uqs n LEU 54 Ca -0.08 1.08 -0.12 0.00 -1.11 0.00 0.00 56.01 55.78 1uqs n LEU 54 Cb 0.52 -1.14 -0.06 0.00 0.53 0.00 0.00 43.42 43.27 1uqs n LEU 54 CO 0.44 -2.28 0.67 -0.55 -1.11 0.00 0.00 177.39 174.56 1uqs s SER 55 N -0.80 -0.48 0.11 1.96 0.15 -1.25 -5.06 113.70 108.33 1uqs s SER 55 Ca 0.61 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.93 1uqs s SER 55 Cb -0.73 0.58 -0.00 0.00 -1.71 0.00 0.00 66.02 64.16 1uqs s SER 55 CO 0.58 -0.35 0.01 2.22 1.20 0.00 0.00 173.24 176.90 1uqs n PHE 56 N 1.27 0.23 -4.55 3.44 -1.74 -1.26 -1.55 117.46 113.28 1uqs n PHE 56 Ca -0.13 -0.58 -0.25 0.00 -0.56 0.00 0.00 57.45 55.93 1uqs n PHE 56 Cb 0.57 -0.06 -0.06 0.00 1.52 0.00 0.00 39.48 41.45 1uqs n PHE 56 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 1uqs n SER 57 N -1.23 2.29 -0.11 5.98 7.64 -0.43 -4.95 113.62 122.81 1uqs n SER 57 Ca -0.04 -2.91 -0.09 0.00 1.01 0.00 0.00 58.87 56.83 1uqs n SER 57 Cb 0.15 0.58 -0.04 0.00 -1.01 0.00 0.00 64.21 63.89 1uqs n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1uqs h LYS 58 N 0.00 -0.31 0.00 1.43 6.56 -2.02 0.47 116.57 122.69 1uqs h LYS 58 Ca -0.32 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.29 1uqs h LYS 58 Cb 1.08 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.81 1uqs h LYS 58 CO 0.53 -0.21 0.00 -0.40 -2.06 0.00 0.00 179.45 177.31 1uqs n ASP 59 N -5.42 0.00 0.00 0.86 5.68 -1.26 -4.81 116.55 111.60 1uqs n ASP 59 Ca -0.01 -0.54 0.00 0.00 -0.50 0.00 0.00 54.79 53.75 1uqs n ASP 59 Cb 0.35 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 1uqs n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1uqs n TRP 60 N -0.80 0.00 -2.86 2.11 7.02 0.16 -5.04 117.44 118.03 1uqs n TRP 60 Ca 0.05 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.16 1uqs n TRP 60 Cb 0.02 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 28.85 1uqs n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1uqs s SER 61 N -2.76 7.30 0.52 -0.99 1.04 -1.26 -4.65 113.70 112.91 1uqs s SER 61 Ca 0.00 1.74 -0.02 0.00 0.48 0.00 0.00 55.95 58.15 1uqs s SER 61 Cb 0.00 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.59 1uqs s SER 61 CO 0.00 -0.01 0.78 -0.36 0.98 0.00 0.00 173.24 174.63 1uqs s PHE 62 N -1.54 3.20 0.01 5.02 0.08 -0.79 -1.32 117.98 122.64 1uqs s PHE 62 Ca 0.47 0.39 -0.22 0.00 0.12 0.00 0.00 56.93 57.69 1uqs s PHE 62 Cb -0.19 -2.55 0.05 0.00 -0.57 0.00 0.00 43.02 39.76 1uqs s PHE 62 CO 0.24 -0.62 0.49 1.52 -0.10 0.00 0.00 175.22 176.75 1uqs s TYR 63 N -2.77 -0.39 0.06 0.36 -0.85 -0.60 0.42 117.35 113.57 1uqs s TYR 63 Ca 0.52 0.52 -0.03 0.00 -0.52 0.00 0.00 57.07 57.56 1uqs s TYR 63 Cb -0.10 0.28 -0.03 0.00 0.38 0.00 0.00 41.96 42.49 1uqs s TYR 63 CO 0.41 -0.57 0.04 -0.51 -1.52 0.00 0.00 175.55 173.40 1uqs s LEU 64 N -1.68 2.16 -0.22 -3.49 1.43 0.21 -3.88 118.68 113.21 1uqs s LEU 64 Ca -0.08 -0.86 0.01 0.00 -1.03 0.00 0.00 54.13 52.17 1uqs s LEU 64 Cb -0.01 0.44 0.05 0.00 0.03 0.00 0.00 46.19 46.69 1uqs s LEU 64 CO 0.02 -0.62 -0.10 -0.22 0.23 0.00 0.00 176.35 175.66 1uqs s LEU 65 N -2.79 2.66 -0.07 1.79 2.96 -1.26 -1.29 118.68 120.69 1uqs s LEU 65 Ca 0.05 -1.07 -0.03 0.00 -0.22 0.00 0.00 54.13 52.86 1uqs s LEU 65 Cb 0.06 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.37 1uqs s LEU 65 CO -0.10 -0.16 0.07 -0.31 -1.32 0.00 0.00 176.35 174.53 1uqs s TYR 66 N 1.30 3.33 -0.19 5.38 1.51 0.24 -0.83 117.35 128.09 1uqs s TYR 66 Ca -0.04 0.29 -0.28 0.00 -1.01 0.00 0.00 57.07 56.03 1uqs s TYR 66 Cb -0.18 -1.81 0.12 0.00 -0.11 0.00 0.00 41.96 39.98 1uqs s TYR 66 CO -0.07 0.57 0.97 1.52 -1.11 0.00 0.00 175.55 177.43 1uqs s TYR 67 N -1.03 -0.45 0.01 2.71 1.13 -0.90 0.15 117.35 118.96 1uqs s TYR 67 Ca 0.17 0.90 -0.09 0.00 -1.41 0.00 0.00 57.07 56.64 1uqs s TYR 67 Cb -0.12 0.41 0.00 0.00 -1.10 0.00 0.00 41.96 41.16 1uqs s TYR 67 CO 0.07 -0.33 0.18 -0.08 -2.51 0.00 0.00 175.55 172.87 1uqs s THR 68 N -0.63 0.09 0.33 -3.49 -1.32 -0.31 -3.03 115.64 107.28 1uqs s THR 68 Ca -0.01 -0.75 -0.28 0.00 -1.21 0.00 0.00 61.69 59.44 1uqs s THR 68 Cb -0.02 -0.64 -0.09 0.00 -1.51 0.00 0.00 72.50 70.24 1uqs s THR 68 CO -0.00 -0.41 1.17 -0.70 -2.21 0.00 0.00 174.62 172.47 1uqs s GLU 69 N -1.82 4.39 0.14 7.08 2.12 -1.26 -0.98 118.70 128.37 1uqs s GLU 69 Ca -0.11 1.91 -0.20 0.00 0.36 0.00 0.00 54.97 56.93 1uqs s GLU 69 Cb -0.05 -3.00 0.05 0.00 0.26 0.00 0.00 34.13 31.40 1uqs s GLU 69 CO -0.00 -0.05 0.51 -0.59 -0.54 0.00 0.00 175.26 174.59 1uqs s PHE 70 N -1.24 -0.39 -0.32 5.30 -0.71 -0.55 -4.86 117.98 115.21 1uqs s PHE 70 Ca 0.49 0.15 0.02 0.00 -1.04 0.00 0.00 56.93 56.55 1uqs s PHE 70 Cb -0.33 0.42 0.10 0.00 -1.21 0.00 0.00 43.02 41.99 1uqs s PHE 70 CO 0.43 -0.77 0.07 0.99 -1.34 0.00 0.00 175.22 174.60 1uqs s THR 71 N -3.68 1.57 0.91 -4.49 2.01 -1.26 0.11 115.64 110.80 1uqs s THR 71 Ca 0.01 -1.84 -0.11 0.00 0.31 0.00 0.00 61.69 60.06 1uqs s THR 71 Cb 0.00 -2.16 0.14 0.00 0.01 0.00 0.00 72.50 70.49 1uqs s THR 71 CO -0.12 -0.62 1.09 -2.16 -0.69 0.00 0.00 174.62 172.13 1uqs s PRO 72 N 1.27 1.14 0.00 4.92 0.04 -1.26 -4.77 135.00 136.34 1uqs s PRO 72 Ca 0.10 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1uqs s PRO 72 Cb -0.18 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1uqs s PRO 72 CO -0.16 -2.34 0.00 0.25 0.04 0.00 0.00 177.00 174.78 1uqs n THR 73 N -3.96 0.00 -0.01 1.26 -2.24 -1.26 0.45 114.28 108.51 1uqs n THR 73 Ca 0.07 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.68 1uqs n THR 73 Cb 0.55 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.68 1uqs n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1uqs h GLU 74 N 0.00 0.48 0.00 -0.78 4.81 -1.99 -3.44 114.58 113.66 1uqs h GLU 74 Ca 0.00 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1uqs h GLU 74 Cb 0.00 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1uqs h GLU 74 CO 0.00 1.08 0.00 1.17 -0.73 0.00 0.00 179.01 180.53 1uqs n LYS 75 N -4.21 1.12 -1.79 1.92 4.81 -1.26 -4.97 118.16 113.78 1uqs n LYS 75 Ca -0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.34 1uqs n LYS 75 Cb 0.64 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.68 1uqs n LYS 75 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1uqs n ASP 76 N -0.18 -1.95 -4.71 3.14 8.00 -1.26 -5.01 116.55 114.57 1uqs n ASP 76 Ca 0.00 0.36 -0.37 0.00 0.71 0.00 0.00 54.79 55.49 1uqs n ASP 76 Cb 0.00 -2.13 -0.07 0.00 -0.02 0.00 0.00 41.12 38.90 1uqs n ASP 76 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1uqs s GLU 77 N -0.81 4.25 -0.06 -1.24 2.12 -1.26 -4.79 118.70 116.90 1uqs s GLU 77 Ca -0.06 0.22 0.05 0.00 0.36 0.00 0.00 54.97 55.54 1uqs s GLU 77 Cb 0.00 -3.47 -0.01 0.00 0.26 0.00 0.00 34.13 30.92 1uqs s GLU 77 CO 0.21 0.12 -0.22 0.71 -0.54 0.00 0.00 175.26 175.53 1uqs s TYR 78 N 0.81 2.23 0.13 5.30 1.51 -1.26 0.84 117.35 126.91 1uqs s TYR 78 Ca 0.20 -0.71 -0.07 0.00 -1.01 0.00 0.00 57.07 55.48 1uqs s TYR 78 Cb -0.14 -1.48 -0.01 0.00 -0.11 0.00 0.00 41.96 40.22 1uqs s TYR 78 CO 0.07 -0.24 0.20 0.00 -1.11 0.00 0.00 175.55 174.47 1uqs s ALA 79 N 0.01 0.13 -0.23 3.71 0.00 -1.02 0.19 121.76 124.56 1uqs s ALA 79 Ca -0.07 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 1uqs s ALA 79 Cb -0.14 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.71 1uqs s ALA 79 CO 0.04 -0.57 -0.03 0.00 0.00 0.00 0.00 175.76 175.20 1uqs s ARG 81 N 1.48 2.81 -0.14 0.00 3.52 -1.26 -1.04 118.95 124.33 1uqs s ARG 81 Ca 0.05 -1.08 -0.05 0.00 -0.13 0.00 0.00 55.73 54.52 1uqs s ARG 81 Cb -0.15 -3.68 -0.04 0.00 -1.56 0.00 0.00 34.95 29.53 1uqs s ARG 81 CO -0.03 -0.68 0.04 0.08 -0.81 0.00 0.00 175.30 173.90 1uqs s VAL 82 N 1.53 4.61 -0.18 7.11 1.01 0.42 -2.55 120.40 132.35 1uqs s VAL 82 Ca 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 1uqs s VAL 82 Cb -0.19 -3.01 0.05 0.00 0.00 0.00 0.00 36.38 33.22 1uqs s VAL 82 CO 0.06 0.54 -0.03 0.21 0.00 0.00 0.00 175.10 175.88 1uqs s ASN 83 N -0.28 2.96 0.05 3.32 2.47 0.26 0.55 114.94 124.27 1uqs s ASN 83 Ca 0.07 -0.76 0.05 0.00 0.42 0.00 0.00 52.86 52.65 1uqs s ASN 83 Cb -0.12 -0.87 -0.02 0.00 -1.45 0.00 0.00 41.25 38.79 1uqs s ASN 83 CO 0.02 -0.22 -0.14 -2.28 -3.72 0.00 0.00 177.10 170.76 1uqs s HIS 84 N 1.66 1.22 0.57 0.43 2.46 -1.26 -1.84 115.29 118.53 1uqs s HIS 84 Ca -0.01 -0.39 0.38 0.00 0.47 0.00 0.00 55.06 55.52 1uqs s HIS 84 Cb -0.16 -0.71 1.45 0.00 -0.13 0.00 0.00 32.58 33.03 1uqs s HIS 84 CO -0.07 0.04 1.60 -0.24 -2.47 0.00 0.00 174.74 173.60 1uqs h VAL 85 N 4.44 0.15 -0.24 0.89 3.04 -1.95 1.14 116.25 123.71 1uqs h VAL 85 Ca -0.39 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 1uqs h VAL 85 Cb 1.18 0.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1uqs h VAL 85 CO 0.43 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.34 1uqs n THR 86 N -3.79 0.32 -4.37 3.17 -2.24 -1.26 -4.88 114.28 101.23 1uqs n THR 86 Ca 0.30 -0.43 -0.33 0.00 -2.27 0.00 0.00 64.05 61.32 1uqs n THR 86 Cb 1.55 0.40 -0.09 0.00 -2.10 0.00 0.00 70.33 70.08 1uqs n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1uqs s LEU 87 N -1.41 3.45 0.10 3.22 1.43 0.39 -4.95 118.68 120.92 1uqs s LEU 87 Ca 0.31 0.02 -0.16 0.00 -1.03 0.00 0.00 54.13 53.27 1uqs s LEU 87 Cb 0.17 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 1uqs s LEU 87 CO 0.25 0.32 1.53 0.28 0.23 0.00 0.00 176.35 178.95 1uqs h SER 88 N 4.69 0.59 -4.46 2.29 0.02 -1.90 -3.45 113.55 111.33 1uqs h SER 88 Ca -0.49 -0.33 -0.13 0.00 -0.84 0.00 0.00 61.79 60.00 1uqs h SER 88 Cb 1.18 -0.16 -0.22 0.00 0.14 0.00 0.00 62.40 63.34 1uqs h SER 88 CO 0.55 0.77 -0.29 0.00 -1.14 0.00 0.00 176.83 176.73 1uqs s GLN 89 N -4.92 0.55 0.01 3.45 -2.07 -1.26 -5.11 119.66 110.30 1uqs s GLN 89 Ca -0.13 0.13 -0.28 0.00 -1.82 0.00 0.00 55.36 53.26 1uqs s GLN 89 Cb 0.09 0.25 -0.14 0.00 -1.09 0.00 0.00 33.01 32.12 1uqs s GLN 89 CO 0.78 -0.12 0.73 -2.30 -1.32 0.00 0.00 175.29 173.06 1uqs n PRO 90 N 2.03 0.00 -3.53 9.60 -0.02 -1.26 -4.87 135.00 136.95 1uqs n PRO 90 Ca -0.18 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 60.94 1uqs n PRO 90 Cb 0.57 -1.04 -0.07 0.00 -0.02 0.00 0.00 33.50 32.94 1uqs n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1uqs s LYS 91 N -0.03 4.25 -0.18 -0.52 2.47 0.19 -4.89 119.74 121.03 1uqs s LYS 91 Ca 0.63 0.09 0.01 0.00 -1.56 0.00 0.00 55.97 55.14 1uqs s LYS 91 Cb -0.88 -3.44 0.02 0.00 -1.46 0.00 0.00 37.83 32.08 1uqs s LYS 91 CO 0.40 0.22 -0.19 0.42 0.16 0.00 0.00 175.35 176.35 1uqs s ILE 92 N 0.54 2.02 -0.14 5.43 1.01 -1.26 0.16 121.20 128.96 1uqs s ILE 92 Ca 0.16 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.89 1uqs s ILE 92 Cb -0.13 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 1uqs s ILE 92 CO 0.04 0.52 -0.15 -0.69 0.00 0.00 0.00 174.94 174.66 1uqs s VAL 93 N 1.30 2.80 0.21 2.92 1.01 -0.21 -4.94 120.40 123.50 1uqs s VAL 93 Ca 0.05 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 1uqs s VAL 93 Cb -0.13 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 1uqs s VAL 93 CO -0.13 0.52 0.43 -1.59 0.00 0.00 0.00 175.10 174.33 1uqs s LYS 94 N 0.53 3.56 0.76 2.72 -2.85 -1.26 0.12 119.74 123.33 1uqs s LYS 94 Ca -0.10 -0.22 -0.11 0.00 -1.00 0.00 0.00 55.97 54.55 1uqs s LYS 94 Cb -0.16 -2.80 0.05 0.00 -2.06 0.00 0.00 37.83 32.86 1uqs s LYS 94 CO 0.04 0.37 1.08 -0.46 0.10 0.00 0.00 175.35 176.48 1uqs s TRP 95 N -1.88 2.80 -0.41 1.78 -0.00 0.52 -4.91 118.94 116.84 1uqs s TRP 95 Ca 0.40 1.38 0.07 0.00 -0.00 0.00 0.00 56.10 57.95 1uqs s TRP 95 Cb -0.11 -3.01 0.18 0.00 -0.00 0.00 0.00 33.47 30.52 1uqs s TRP 95 CO 0.28 -1.66 0.60 0.34 -0.00 0.00 0.00 176.95 176.52 1uqs s ASP 96 N -3.66 -1.20 0.19 5.86 3.68 -1.26 -4.77 116.67 115.51 1uqs s ASP 96 Ca 0.60 -0.94 0.15 0.00 2.13 0.00 0.00 52.55 54.50 1uqs s ASP 96 Cb -0.15 1.79 0.64 0.00 -1.45 0.00 0.00 42.92 43.74 1uqs s ASP 96 CO 0.55 -0.17 0.64 0.54 0.13 0.00 0.00 175.17 176.86 1uqs n ARG 97 N 4.32 -0.01 -0.06 4.34 3.00 -1.26 0.95 116.66 127.94 1uqs n ARG 97 Ca 0.11 0.49 -0.18 0.00 -0.01 0.00 0.00 57.85 58.26 1uqs n ARG 97 Cb 0.55 -1.01 -0.13 0.00 0.00 0.00 0.00 32.46 31.87 1uqs n ARG 97 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1uqs h ASP 98 N 0.00 0.11 0.00 0.55 3.32 -2.02 -3.48 116.42 114.90 1uqs h ASP 98 Ca 0.37 -0.82 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1uqs h ASP 98 Cb 1.28 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1uqs h ASP 98 CO -0.13 1.29 0.00 0.80 -1.72 0.00 0.00 179.24 179.48