#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxa s GLN 2 N 0.00 0.61 0.26 0.38 0.74 -1.26 -5.08 119.66 115.30 3dxa s GLN 2 Ca 0.00 -0.54 -0.13 0.00 0.05 0.00 0.00 55.36 54.73 3dxa s GLN 2 Cb 0.00 -0.01 -0.08 0.00 1.10 0.00 0.00 33.01 34.02 3dxa s GLN 2 CO 0.00 -0.77 0.64 1.03 -0.55 0.00 0.00 175.29 175.64 3dxa s ARG 3 N 1.10 3.94 0.16 1.67 0.52 0.04 -4.90 118.95 121.47 3dxa s ARG 3 Ca 0.25 0.51 -0.06 0.00 -0.52 0.00 0.00 55.73 55.90 3dxa s ARG 3 Cb 0.05 -2.61 -0.06 0.00 0.52 0.00 0.00 34.95 32.86 3dxa s ARG 3 CO -0.08 0.28 0.42 -0.08 0.02 0.00 0.00 175.30 175.85 3dxa s THR 4 N -1.82 5.11 0.68 0.02 -1.32 -1.26 -2.31 115.64 114.74 3dxa s THR 4 Ca 0.49 0.16 -0.11 0.00 -1.21 0.00 0.00 61.69 61.02 3dxa s THR 4 Cb -0.12 -3.62 -0.00 0.00 -1.51 0.00 0.00 72.50 67.25 3dxa s THR 4 CO 0.19 0.03 1.07 -2.16 -2.21 0.00 0.00 174.62 171.55 3dxa s PRO 5 N -2.63 3.09 0.01 7.08 0.04 -1.26 -4.40 135.00 136.92 3dxa s PRO 5 Ca 0.42 0.60 0.07 0.00 0.04 0.00 0.00 61.00 62.12 3dxa s PRO 5 Cb -0.12 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 3dxa s PRO 5 CO 0.23 -0.90 -0.20 0.15 0.04 0.00 0.00 177.00 176.32 3dxa s LYS 6 N -5.27 2.12 -0.03 4.56 1.02 -0.27 -4.95 119.74 116.91 3dxa s LYS 6 Ca 0.57 -0.94 0.03 0.00 0.02 0.00 0.00 55.97 55.65 3dxa s LYS 6 Cb -0.11 -2.17 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 3dxa s LYS 6 CO 0.53 0.56 -0.12 0.42 -0.92 0.00 0.00 175.35 175.81 3dxa s ILE 7 N -0.82 1.04 -0.03 2.17 1.01 -1.26 -1.68 121.20 121.63 3dxa s ILE 7 Ca 0.13 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.30 3dxa s ILE 7 Cb -0.10 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.46 3dxa s ILE 7 CO 0.03 0.31 -0.10 -1.10 0.00 0.00 0.00 174.94 174.08 3dxa s GLN 8 N 0.15 1.12 -0.10 2.79 -0.21 -1.05 -5.02 119.66 117.34 3dxa s GLN 8 Ca -0.04 -0.34 0.04 0.00 0.02 0.00 0.00 55.36 55.04 3dxa s GLN 8 Cb -0.10 -1.02 0.00 0.00 1.00 0.00 0.00 33.01 32.89 3dxa s GLN 8 CO 0.01 0.11 -0.22 0.08 -2.12 0.00 0.00 175.29 173.16 3dxa s VAL 9 N 0.26 1.90 0.15 1.09 1.01 -1.26 -1.80 120.40 121.75 3dxa s VAL 9 Ca -0.05 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 60.77 3dxa s VAL 9 Cb -0.10 -1.66 0.07 0.00 0.00 0.00 0.00 36.38 34.69 3dxa s VAL 9 CO 0.01 0.52 0.98 -0.72 0.00 0.00 0.00 175.10 175.89 3dxa s TYR 10 N 0.46 -0.10 -0.00 5.22 -0.85 -0.90 -4.51 117.35 116.67 3dxa s TYR 10 Ca -0.17 -0.22 -0.00 0.00 -0.52 0.00 0.00 57.07 56.16 3dxa s TYR 10 Cb -0.17 0.65 -0.04 0.00 0.38 0.00 0.00 41.96 42.78 3dxa s TYR 10 CO 0.07 -0.83 0.08 -1.54 -1.52 0.00 0.00 175.55 171.80 3dxa s SER 11 N -3.00 5.64 0.09 -0.18 1.04 -1.26 0.52 113.70 116.54 3dxa s SER 11 Ca 0.13 0.13 -0.28 0.00 0.48 0.00 0.00 55.95 56.41 3dxa s SER 11 Cb -0.01 -1.61 -0.14 0.00 0.10 0.00 0.00 66.02 64.36 3dxa s SER 11 CO 0.03 0.27 1.66 -0.09 0.98 0.00 0.00 173.24 176.09 3dxa h ARG 12 N 4.08 -0.50 -6.14 4.02 2.43 -1.90 -3.40 114.38 112.97 3dxa h ARG 12 Ca -0.49 0.03 -0.68 0.00 -0.81 0.00 0.00 59.98 58.04 3dxa h ARG 12 Cb 1.18 0.11 -0.16 0.00 -0.42 0.00 0.00 29.97 30.68 3dxa h ARG 12 CO 0.62 -0.33 -0.67 -1.01 -1.51 0.00 0.00 179.97 177.07 3dxa s HIS 13 N -6.10 3.01 0.41 2.20 3.76 -1.26 -5.08 115.29 112.23 3dxa s HIS 13 Ca -0.16 0.06 -0.26 0.00 -0.15 0.00 0.00 55.06 54.56 3dxa s HIS 13 Cb 0.06 -1.70 -0.10 0.00 1.11 0.00 0.00 32.58 31.95 3dxa s HIS 13 CO 0.64 0.40 1.22 -2.30 -0.85 0.00 0.00 174.74 173.86 3dxa n PRO 14 N 1.85 1.84 -3.45 8.40 -0.02 -1.26 -4.84 135.00 137.52 3dxa n PRO 14 Ca -0.17 0.65 -0.38 0.00 -2.02 0.00 0.00 63.50 61.59 3dxa n PRO 14 Cb 0.53 -2.30 -0.06 0.00 -0.02 0.00 0.00 33.50 31.65 3dxa n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dxa s ALA 15 N -1.19 3.67 0.00 3.55 0.00 -1.26 -5.07 121.76 121.46 3dxa s ALA 15 Ca 0.60 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.39 3dxa s ALA 15 Cb -0.53 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.15 3dxa s ALA 15 CO 0.58 0.47 0.00 -0.85 0.00 0.00 0.00 175.76 175.96 3dxa n GLU 16 N 1.65 1.48 -3.20 0.00 0.28 -1.26 -5.05 120.64 114.54 3dxa n GLU 16 Ca -0.12 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.46 3dxa n GLU 16 Cb 0.52 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.31 3dxa n GLU 16 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 3dxa s ASN 17 N 0.02 6.31 -0.95 -1.84 0.01 -1.26 -2.74 114.94 114.49 3dxa s ASN 17 Ca 0.00 -0.22 -0.00 0.00 -0.71 0.00 0.00 52.86 51.92 3dxa s ASN 17 Cb 0.00 -2.28 0.00 0.00 0.41 0.00 0.00 41.25 39.38 3dxa s ASN 17 CO 0.00 -0.61 0.05 0.61 -1.51 0.00 0.00 177.10 175.64 3dxa n GLY 18 N 4.92 -0.08 0.00 0.66 0.00 -1.26 -4.89 105.19 104.54 3dxa n GLY 18 Ca -0.04 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3dxa n GLY 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dxa n LYS 19 N -2.15 0.55 -0.15 1.61 4.76 -1.11 -5.00 118.16 116.68 3dxa n LYS 19 Ca -0.12 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.39 3dxa n LYS 19 Cb 0.60 0.00 0.15 0.00 -1.84 0.00 0.00 35.03 33.94 3dxa n LYS 19 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3dxa n SER 20 N -0.96 2.84 -2.82 4.39 2.88 -1.26 -4.30 113.62 114.39 3dxa n SER 20 Ca 0.00 -1.85 -0.07 0.00 -1.33 0.00 0.00 58.87 55.62 3dxa n SER 20 Cb 0.00 -0.19 0.01 0.00 -0.75 0.00 0.00 64.21 63.28 3dxa n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3dxa n ASN 21 N 0.82 1.18 -4.47 -3.46 2.85 0.11 -4.68 115.26 107.61 3dxa n ASN 21 Ca 0.13 -1.50 -0.30 0.00 -0.11 0.00 0.00 54.58 52.79 3dxa n ASN 21 Cb 0.44 -0.05 -0.12 0.00 1.24 0.00 0.00 39.78 41.29 3dxa n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3dxa s PHE 22 N -0.51 2.55 -0.07 1.20 0.40 -1.26 -2.29 117.98 118.00 3dxa s PHE 22 Ca 0.12 -0.26 0.02 0.00 -0.60 0.00 0.00 56.93 56.21 3dxa s PHE 22 Cb -0.01 -1.41 0.01 0.00 0.51 0.00 0.00 43.02 42.12 3dxa s PHE 22 CO 0.07 0.31 -0.13 -1.17 0.70 0.00 0.00 175.22 175.00 3dxa s LEU 23 N -1.76 1.68 0.12 -0.37 2.96 0.18 -2.80 118.68 118.70 3dxa s LEU 23 Ca 0.16 -0.33 0.11 0.00 -0.22 0.00 0.00 54.13 53.85 3dxa s LEU 23 Cb -0.11 -0.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 3dxa s LEU 23 CO 0.07 0.04 -0.25 0.20 -1.32 0.00 0.00 176.35 175.09 3dxa s ASN 24 N 0.66 3.41 -0.27 3.68 0.01 0.18 -1.36 114.94 121.25 3dxa s ASN 24 Ca -0.14 -0.71 -0.02 0.00 -0.71 0.00 0.00 52.86 51.28 3dxa s ASN 24 Cb -0.16 -0.28 0.09 0.00 0.41 0.00 0.00 41.25 41.31 3dxa s ASN 24 CO 0.04 0.18 0.08 0.00 -1.51 0.00 0.00 177.10 175.89 3dxa s TYR 26 N 1.74 3.14 0.01 0.00 5.04 -0.75 -1.97 117.35 124.56 3dxa s TYR 26 Ca 0.06 -0.61 -0.08 0.00 -2.44 0.00 0.00 57.07 54.00 3dxa s TYR 26 Cb -0.17 -3.23 -0.05 0.00 0.35 0.00 0.00 41.96 38.86 3dxa s TYR 26 CO -0.21 -0.86 0.30 0.14 -1.34 0.00 0.00 175.55 173.58 3dxa s VAL 27 N 2.18 5.25 0.19 3.14 -7.23 -0.89 -2.53 120.40 120.50 3dxa s VAL 27 Ca 0.11 0.31 -0.18 0.00 -1.81 0.00 0.00 61.98 60.41 3dxa s VAL 27 Cb -0.20 -3.58 0.03 0.00 0.56 0.00 0.00 36.38 33.19 3dxa s VAL 27 CO 0.11 0.40 0.51 -0.94 -0.31 0.00 0.00 175.10 174.87 3dxa s SER 28 N -1.57 -0.27 -1.05 4.85 1.04 -0.67 -1.60 113.70 114.42 3dxa s SER 28 Ca 0.27 -0.44 -0.04 0.00 0.48 0.00 0.00 55.95 56.22 3dxa s SER 28 Cb -0.14 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.56 3dxa s SER 28 CO 0.15 -1.03 0.56 0.61 0.98 0.00 0.00 173.24 174.52 3dxa n GLY 29 N -0.33 -0.14 3.37 7.32 0.00 -0.82 -1.11 105.19 113.46 3dxa n GLY 29 Ca -0.11 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 3dxa n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dxa s PHE 30 N -3.07 1.74 -0.29 1.61 -0.12 -1.21 -4.44 117.98 112.21 3dxa s PHE 30 Ca 0.28 -0.68 -0.19 0.00 -0.05 0.00 0.00 56.93 56.29 3dxa s PHE 30 Cb -0.12 -0.91 0.16 0.00 -0.63 0.00 0.00 43.02 41.51 3dxa s PHE 30 CO 0.35 0.25 1.09 -1.58 -0.05 0.00 0.00 175.22 175.28 3dxa s HIS 31 N -3.08 -0.41 0.78 3.49 2.46 -0.98 -0.82 115.29 116.74 3dxa s HIS 31 Ca 0.25 0.87 -0.13 0.00 0.47 0.00 0.00 55.06 56.53 3dxa s HIS 31 Cb 0.02 0.32 0.19 0.00 -0.13 0.00 0.00 32.58 32.98 3dxa s HIS 31 CO 0.08 -0.20 0.74 -2.30 -2.47 0.00 0.00 174.74 170.59 3dxa n PRO 32 N 3.01 -2.18 0.00 2.88 -0.02 -1.26 -0.78 135.00 136.65 3dxa n PRO 32 Ca -0.16 -1.17 0.13 0.00 -2.02 0.00 0.00 63.50 60.28 3dxa n PRO 32 Cb 0.57 -1.04 0.52 0.00 -0.02 0.00 0.00 33.50 33.53 3dxa n PRO 32 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3dxa n SER 33 N -4.13 0.15 -4.55 2.55 3.41 -1.26 -4.74 113.62 105.05 3dxa n SER 33 Ca 0.10 0.32 -0.37 0.00 -0.26 0.00 0.00 58.87 58.66 3dxa n SER 33 Cb 0.38 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 3dxa n SER 33 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3dxa s ASP 34 N -3.06 5.40 0.14 4.04 1.11 -1.26 -4.94 116.67 118.10 3dxa s ASP 34 Ca 0.13 0.04 0.09 0.00 0.18 0.00 0.00 52.55 52.99 3dxa s ASP 34 Cb 0.18 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.60 3dxa s ASP 34 CO 0.57 -2.34 -0.20 -0.51 1.18 0.00 0.00 175.17 173.87 3dxa s ILE 35 N 8.70 1.86 -0.30 0.77 1.10 -1.26 -4.31 121.20 127.76 3dxa s ILE 35 Ca 0.63 -1.79 -0.01 0.00 -0.51 0.00 0.00 60.65 58.97 3dxa s ILE 35 Cb -0.11 -1.78 0.10 0.00 0.15 0.00 0.00 42.46 40.82 3dxa s ILE 35 CO 0.16 -0.18 0.09 -0.70 -2.11 0.00 0.00 174.94 172.20 3dxa s GLU 36 N -2.43 0.71 -0.11 3.50 2.12 -0.63 -5.04 118.70 116.83 3dxa s GLU 36 Ca 0.13 -1.00 -0.02 0.00 0.36 0.00 0.00 54.97 54.44 3dxa s GLU 36 Cb -0.08 -1.99 -0.03 0.00 0.26 0.00 0.00 34.13 32.30 3dxa s GLU 36 CO 0.06 -0.95 -0.05 0.08 -0.54 0.00 0.00 175.26 173.86 3dxa s VAL 37 N 1.64 3.80 -0.04 3.70 1.01 -1.26 -1.44 120.40 127.81 3dxa s VAL 37 Ca 0.08 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.66 3dxa s VAL 37 Cb -0.17 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.62 3dxa s VAL 37 CO -0.24 0.55 -0.03 -1.81 0.00 0.00 0.00 175.10 173.56 3dxa s ASP 38 N -0.19 0.80 -0.14 3.32 1.01 -0.68 -5.03 116.67 115.76 3dxa s ASP 38 Ca 0.03 -0.10 -0.23 0.00 0.71 0.00 0.00 52.55 52.96 3dxa s ASP 38 Cb -0.13 -0.39 -0.03 0.00 1.01 0.00 0.00 42.92 43.39 3dxa s ASP 38 CO 0.03 -0.06 0.72 -0.76 0.21 0.00 0.00 175.17 175.30 3dxa s LEU 39 N 0.93 4.22 0.23 1.23 1.43 -1.26 -1.04 118.68 124.41 3dxa s LEU 39 Ca -0.11 1.07 0.05 0.00 -1.03 0.00 0.00 54.13 54.12 3dxa s LEU 39 Cb -0.14 -3.07 -0.03 0.00 0.03 0.00 0.00 46.19 42.97 3dxa s LEU 39 CO -0.00 -0.26 0.30 -0.76 0.23 0.00 0.00 176.35 175.86 3dxa s LEU 40 N 1.60 4.17 -0.15 1.79 1.43 -1.26 -2.83 118.68 123.43 3dxa s LEU 40 Ca 0.35 -0.01 -0.04 0.00 -1.03 0.00 0.00 54.13 53.40 3dxa s LEU 40 Cb -0.17 -2.71 0.05 0.00 0.03 0.00 0.00 46.19 43.39 3dxa s LEU 40 CO 0.14 -0.04 0.07 -0.75 0.23 0.00 0.00 176.35 175.99 3dxa s LYS 41 N -3.83 0.22 -1.15 1.70 2.20 -0.05 -3.92 119.74 114.90 3dxa s LYS 41 Ca 0.34 -0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.88 3dxa s LYS 41 Cb -0.09 -1.61 0.00 0.00 -1.51 0.00 0.00 37.83 34.62 3dxa s LYS 41 CO 0.28 -0.58 0.00 0.09 -0.36 0.00 0.00 175.35 174.78 3dxa n ASN 42 N 5.22 -3.67 0.00 1.43 3.02 -1.16 -0.44 115.26 119.67 3dxa n ASN 42 Ca -0.07 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 3dxa n ASN 42 Cb 0.49 -3.23 0.00 0.00 -0.61 0.00 0.00 39.78 36.43 3dxa n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dxa n GLY 43 N -0.59 3.17 0.00 7.41 0.00 -1.26 -5.07 105.19 108.85 3dxa n GLY 43 Ca -0.14 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3dxa n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dxa n GLU 44 N 0.00 0.21 0.02 1.61 -0.58 0.42 -4.96 120.64 117.36 3dxa n GLU 44 Ca 0.00 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.87 3dxa n GLU 44 Cb 0.00 0.00 0.34 0.00 -0.57 0.00 0.00 31.44 31.21 3dxa n GLU 44 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3dxa n ARG 45 N -0.74 0.09 0.00 3.49 1.74 -1.26 -0.88 116.66 119.10 3dxa n ARG 45 Ca 0.00 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3dxa n ARG 45 Cb 0.00 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 3dxa n ARG 45 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3dxa n ILE 46 N -1.70 0.00 -2.19 0.55 -5.35 -1.13 -4.40 119.36 105.15 3dxa n ILE 46 Ca 0.05 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.21 3dxa n ILE 46 Cb 0.37 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.26 3dxa n ILE 46 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3dxa s GLU 47 N 0.00 3.52 -0.93 6.28 2.12 -1.26 -4.44 118.70 123.99 3dxa s GLU 47 Ca 0.00 1.17 -0.09 0.00 0.36 0.00 0.00 54.97 56.41 3dxa s GLU 47 Cb 0.00 -2.06 -0.01 0.00 0.26 0.00 0.00 34.13 32.32 3dxa s GLU 47 CO 0.00 -0.64 0.72 1.63 -0.54 0.00 0.00 175.26 176.43 3dxa n LYS 48 N -1.80 -1.36 -3.39 4.30 4.76 -1.26 -4.97 118.16 114.45 3dxa n LYS 48 Ca 0.08 0.85 -0.38 0.00 -2.87 0.00 0.00 58.31 56.00 3dxa n LYS 48 Cb 0.53 -4.13 -0.08 0.00 -1.84 0.00 0.00 35.03 29.51 3dxa n LYS 48 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3dxa s VAL 49 N -3.19 5.20 0.55 -0.18 1.01 -1.26 -5.07 120.40 117.46 3dxa s VAL 49 Ca 0.21 0.70 -0.20 0.00 0.00 0.00 0.00 61.98 62.68 3dxa s VAL 49 Cb -0.07 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 3dxa s VAL 49 CO 0.84 0.25 1.19 -1.61 0.00 0.00 0.00 175.10 175.77 3dxa s GLU 50 N 1.31 3.22 0.08 2.72 2.02 -1.13 -4.88 118.70 122.04 3dxa s GLU 50 Ca 0.19 1.79 0.03 0.00 0.02 0.00 0.00 54.97 56.99 3dxa s GLU 50 Cb -0.15 -2.05 -0.03 0.00 0.10 0.00 0.00 34.13 32.00 3dxa s GLU 50 CO 0.08 -1.00 -0.08 -3.38 0.02 0.00 0.00 175.26 170.90 3dxa s HIS 51 N -1.61 0.89 1.01 1.61 -3.43 -1.26 -0.85 115.29 111.64 3dxa s HIS 51 Ca 0.74 -0.69 -0.17 0.00 -0.80 0.00 0.00 55.06 54.14 3dxa s HIS 51 Cb -0.29 -0.51 0.23 0.00 -1.43 0.00 0.00 32.58 30.58 3dxa s HIS 51 CO 0.33 -0.07 1.34 -1.54 -2.00 0.00 0.00 174.74 172.79 3dxa s SER 52 N -2.35 2.69 0.60 7.38 1.04 0.39 -4.98 113.70 118.47 3dxa s SER 52 Ca 0.02 0.19 -0.16 0.00 0.48 0.00 0.00 55.95 56.49 3dxa s SER 52 Cb -0.03 -0.16 -0.03 0.00 0.10 0.00 0.00 66.02 65.90 3dxa s SER 52 CO -0.01 -2.99 1.06 -1.81 0.98 0.00 0.00 173.24 170.47 3dxa s ASP 53 N -4.89 5.74 0.13 7.02 1.01 -1.26 -4.80 116.67 119.61 3dxa s ASP 53 Ca 0.76 1.83 -0.25 0.00 0.71 0.00 0.00 52.55 55.60 3dxa s ASP 53 Cb -0.03 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.30 3dxa s ASP 53 CO 0.54 -1.20 0.76 -0.22 0.21 0.00 0.00 175.17 175.26 3dxa s LEU 54 N -4.53 4.55 0.00 1.23 2.96 -1.26 -4.78 118.68 116.86 3dxa s LEU 54 Ca 0.64 1.57 -0.05 0.00 -0.22 0.00 0.00 54.13 56.07 3dxa s LEU 54 Cb -0.16 -3.25 0.02 0.00 0.50 0.00 0.00 46.19 43.29 3dxa s LEU 54 CO 0.37 0.16 0.35 -0.24 -1.32 0.00 0.00 176.35 175.67 3dxa n SER 55 N 1.92 -1.00 -3.80 3.68 2.88 -1.25 -5.07 113.62 110.98 3dxa n SER 55 Ca -0.05 -1.94 -0.09 0.00 -1.33 0.00 0.00 58.87 55.46 3dxa n SER 55 Cb 0.49 1.73 -0.04 0.00 -0.75 0.00 0.00 64.21 65.65 3dxa n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3dxa s PHE 56 N -4.65 -0.05 0.50 0.66 -0.12 -1.26 -2.19 117.98 110.87 3dxa s PHE 56 Ca 0.12 -0.32 0.09 0.00 -0.05 0.00 0.00 56.93 56.77 3dxa s PHE 56 Cb -0.02 0.41 0.05 0.00 -0.63 0.00 0.00 43.02 42.83 3dxa s PHE 56 CO 0.09 -0.99 0.65 -1.12 -0.05 0.00 0.00 175.22 173.80 3dxa s SER 57 N -2.91 5.29 0.33 1.98 0.01 -0.21 -4.92 113.70 113.28 3dxa s SER 57 Ca 0.12 -0.70 0.11 0.00 1.31 0.00 0.00 55.95 56.79 3dxa s SER 57 Cb -0.02 -0.13 1.03 0.00 0.21 0.00 0.00 66.02 67.11 3dxa s SER 57 CO 0.01 -1.05 1.60 0.11 0.41 0.00 0.00 173.24 174.32 3dxa h LYS 58 N 0.45 0.08 -0.50 12.44 6.56 -2.03 0.32 116.57 133.89 3dxa h LYS 58 Ca -0.35 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.24 3dxa h LYS 58 Cb 1.28 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.93 3dxa h LYS 58 CO 0.45 0.05 0.00 -0.40 -2.06 0.00 0.00 179.45 177.49 3dxa n ASP 59 N -5.29 0.90 0.00 0.86 5.75 -1.26 -4.84 116.55 112.66 3dxa n ASP 59 Ca 0.30 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 3dxa n ASP 59 Cb 0.99 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.80 3dxa n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3dxa n TRP 60 N -0.12 0.00 -3.00 2.11 7.02 0.11 -4.99 117.44 118.57 3dxa n TRP 60 Ca 0.02 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.11 3dxa n TRP 60 Cb 0.20 -0.88 -0.05 0.00 -2.42 0.00 0.00 31.31 28.16 3dxa n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3dxa s SER 61 N -2.06 7.18 0.59 -0.99 1.04 -1.24 -4.73 113.70 113.49 3dxa s SER 61 Ca 0.00 1.41 -0.14 0.00 0.48 0.00 0.00 55.95 57.70 3dxa s SER 61 Cb 0.00 -2.46 -0.05 0.00 0.10 0.00 0.00 66.02 63.62 3dxa s SER 61 CO 0.00 0.01 1.02 -0.36 0.98 0.00 0.00 173.24 174.89 3dxa s PHE 62 N 0.02 3.35 -0.19 5.02 0.40 -0.00 -1.04 117.98 125.53 3dxa s PHE 62 Ca 0.38 1.42 -0.13 0.00 -0.60 0.00 0.00 56.93 58.00 3dxa s PHE 62 Cb -0.20 -2.83 0.06 0.00 0.51 0.00 0.00 43.02 40.55 3dxa s PHE 62 CO 0.22 -0.75 0.48 1.52 0.70 0.00 0.00 175.22 177.39 3dxa s TYR 63 N -2.81 -0.63 0.17 0.36 -0.85 -0.93 -1.95 117.35 110.71 3dxa s TYR 63 Ca 0.59 1.41 0.06 0.00 -0.52 0.00 0.00 57.07 58.60 3dxa s TYR 63 Cb -0.12 0.28 -0.05 0.00 0.38 0.00 0.00 41.96 42.45 3dxa s TYR 63 CO 0.43 -0.33 -0.11 -0.51 -1.52 0.00 0.00 175.55 173.50 3dxa s LEU 64 N 0.94 2.52 -0.16 -3.49 1.43 -0.63 -3.78 118.68 115.52 3dxa s LEU 64 Ca -0.05 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.02 3dxa s LEU 64 Cb -0.06 -0.47 0.03 0.00 0.03 0.00 0.00 46.19 45.72 3dxa s LEU 64 CO -0.08 -0.28 -0.11 -0.22 0.23 0.00 0.00 176.35 175.89 3dxa s LEU 65 N -3.24 1.78 -0.37 1.79 2.96 -1.26 -2.10 118.68 118.25 3dxa s LEU 65 Ca 0.20 -0.60 -0.12 0.00 -0.22 0.00 0.00 54.13 53.39 3dxa s LEU 65 Cb 0.02 -1.12 0.02 0.00 0.50 0.00 0.00 46.19 45.61 3dxa s LEU 65 CO 0.03 -0.11 0.22 -0.31 -1.32 0.00 0.00 176.35 174.87 3dxa s TYR 66 N 1.51 3.23 0.00 5.38 1.51 -0.83 -0.46 117.35 127.68 3dxa s TYR 66 Ca 0.03 -0.79 0.08 0.00 -1.01 0.00 0.00 57.07 55.38 3dxa s TYR 66 Cb -0.14 -2.46 -0.02 0.00 -0.11 0.00 0.00 41.96 39.23 3dxa s TYR 66 CO -0.09 -0.59 -0.26 1.52 -1.11 0.00 0.00 175.55 175.02 3dxa s TYR 67 N 1.60 2.33 0.00 2.71 -0.85 -0.03 -1.33 117.35 121.77 3dxa s TYR 67 Ca 0.03 -0.43 0.00 0.00 -0.52 0.00 0.00 57.07 56.15 3dxa s TYR 67 Cb -0.19 -1.47 0.00 0.00 0.38 0.00 0.00 41.96 40.69 3dxa s TYR 67 CO 0.07 0.01 0.00 -2.37 -1.52 0.00 0.00 175.55 171.75 3dxa n THR 68 N 2.23 0.00 -3.67 -3.49 5.66 -0.47 -2.83 114.28 111.71 3dxa n THR 68 Ca -0.16 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.72 3dxa n THR 68 Cb 0.51 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.17 3dxa n THR 68 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3dxa s GLU 69 N 1.25 0.20 0.23 1.09 0.41 -1.26 0.52 118.70 121.14 3dxa s GLU 69 Ca 0.00 0.81 -0.21 0.00 -0.41 0.00 0.00 54.97 55.16 3dxa s GLU 69 Cb 0.00 0.05 0.07 0.00 -1.78 0.00 0.00 34.13 32.47 3dxa s GLU 69 CO 0.00 -0.27 0.97 -0.59 -0.49 0.00 0.00 175.26 174.89 3dxa s PHE 70 N 2.36 0.07 -0.26 1.61 -0.71 -0.97 -4.98 117.98 115.10 3dxa s PHE 70 Ca -0.00 -0.53 0.02 0.00 -1.04 0.00 0.00 56.93 55.38 3dxa s PHE 70 Cb -0.12 0.73 0.06 0.00 -1.21 0.00 0.00 43.02 42.48 3dxa s PHE 70 CO -0.10 -1.07 -0.10 0.99 -1.34 0.00 0.00 175.22 173.60 3dxa s THR 71 N -2.27 2.29 -1.23 -4.49 2.01 -1.26 0.08 115.64 110.77 3dxa s THR 71 Ca 0.20 -1.59 -0.16 0.00 0.31 0.00 0.00 61.69 60.45 3dxa s THR 71 Cb -0.03 -2.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.11 3dxa s THR 71 CO 0.07 -0.03 2.16 -0.81 -0.69 0.00 0.00 174.62 175.31 3dxa n PRO 72 N 4.46 2.42 -2.63 4.92 -0.04 -1.26 -4.68 135.00 138.20 3dxa n PRO 72 Ca -0.14 -2.31 -0.35 0.00 -0.04 0.00 0.00 63.50 60.66 3dxa n PRO 72 Cb 0.42 -3.13 -0.05 0.00 -0.04 0.00 0.00 33.50 30.71 3dxa n PRO 72 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3dxa s THR 73 N 3.75 3.94 -1.01 0.52 -4.23 -1.26 -4.02 115.64 113.33 3dxa s THR 73 Ca 0.51 1.33 0.02 0.00 -1.18 0.00 0.00 61.69 62.37 3dxa s THR 73 Cb 0.14 -3.61 0.11 0.00 1.34 0.00 0.00 72.50 70.48 3dxa s THR 73 CO -0.02 -0.14 0.72 -0.62 -0.54 0.00 0.00 174.62 174.01 3dxa n GLU 74 N -0.46 1.51 -0.01 3.99 1.02 -1.26 -2.59 120.64 122.84 3dxa n GLU 74 Ca 0.07 -0.43 0.00 0.00 -0.02 0.00 0.00 57.16 56.78 3dxa n GLU 74 Cb 0.52 -1.55 0.01 0.00 -0.02 0.00 0.00 31.44 30.40 3dxa n GLU 74 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3dxa n LYS 75 N 0.06 2.00 -4.04 3.49 5.02 -1.26 -5.00 118.16 118.43 3dxa n LYS 75 Ca 0.04 -1.29 -0.24 0.00 -2.02 0.00 0.00 58.31 54.79 3dxa n LYS 75 Cb 0.35 -1.02 -0.17 0.00 -0.02 0.00 0.00 35.03 34.17 3dxa n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dxa s ASP 76 N -0.76 1.76 0.52 4.39 1.11 -1.07 -5.13 116.67 117.48 3dxa s ASP 76 Ca 0.02 -0.22 -0.03 0.00 0.18 0.00 0.00 52.55 52.50 3dxa s ASP 76 Cb 0.01 -0.68 0.00 0.00 1.07 0.00 0.00 42.92 43.32 3dxa s ASP 76 CO 0.01 -0.10 0.78 -1.61 1.18 0.00 0.00 175.17 175.44 3dxa s GLU 77 N 1.45 3.01 0.00 8.23 2.02 -1.26 -4.70 118.70 127.44 3dxa s GLU 77 Ca -0.01 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 54.74 3dxa s GLU 77 Cb -0.13 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.68 3dxa s GLU 77 CO -0.04 -0.47 0.00 0.66 0.02 0.00 0.00 175.26 175.43 3dxa n TYR 78 N -2.32 -0.27 0.00 1.61 4.02 -1.26 -2.98 117.16 115.96 3dxa n TYR 78 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 3dxa n TYR 78 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.90 3dxa n TYR 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3dxa n ALA 79 N -3.00 1.35 -0.88 -0.72 0.00 -1.25 -3.29 120.51 112.71 3dxa n ALA 79 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 3dxa n ALA 79 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3dxa n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxa s ARG 81 N -0.08 1.04 -0.09 0.00 3.52 -0.21 -0.75 118.95 122.38 3dxa s ARG 81 Ca 0.52 -0.46 0.03 0.00 -0.13 0.00 0.00 55.73 55.69 3dxa s ARG 81 Cb -0.73 -2.00 -0.01 0.00 -1.56 0.00 0.00 34.95 30.66 3dxa s ARG 81 CO 0.34 -0.52 -0.20 0.08 -0.81 0.00 0.00 175.30 174.18 3dxa s VAL 82 N 1.74 2.42 -0.03 7.11 1.01 -0.47 -1.69 120.40 130.48 3dxa s VAL 82 Ca -0.00 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.13 3dxa s VAL 82 Cb -0.16 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 3dxa s VAL 82 CO -0.07 0.56 -0.21 0.21 0.00 0.00 0.00 175.10 175.58 3dxa s ASN 83 N 0.08 2.57 0.14 3.32 2.47 -0.52 -1.72 114.94 121.28 3dxa s ASN 83 Ca -0.09 -0.41 0.01 0.00 0.42 0.00 0.00 52.86 52.79 3dxa s ASN 83 Cb -0.15 -0.52 -0.04 0.00 -1.45 0.00 0.00 41.25 39.08 3dxa s ASN 83 CO 0.06 0.23 -0.00 -2.28 -3.72 0.00 0.00 177.10 171.38 3dxa s HIS 84 N -0.26 1.04 0.51 0.43 5.65 -1.26 -1.60 115.29 119.79 3dxa s HIS 84 Ca 0.02 -1.04 0.20 0.00 0.25 0.00 0.00 55.06 54.49 3dxa s HIS 84 Cb -0.11 -0.60 1.27 0.00 -1.18 0.00 0.00 32.58 31.97 3dxa s HIS 84 CO 0.01 -0.26 2.04 -0.24 -0.65 0.00 0.00 174.74 175.64 3dxa h VAL 85 N 2.81 0.86 0.11 0.89 3.04 -1.95 -2.55 116.25 119.45 3dxa h VAL 85 Ca -0.36 -0.03 -0.28 0.00 -1.01 0.00 0.00 66.70 65.02 3dxa h VAL 85 Cb 1.19 0.76 0.03 0.00 -2.01 0.00 0.00 31.29 31.25 3dxa h VAL 85 CO 0.63 0.02 -1.15 0.74 -1.01 0.00 0.00 177.57 176.80 3dxa h THR 86 N 0.09 1.31 -3.04 3.17 2.02 -1.93 -3.44 112.91 111.10 3dxa h THR 86 Ca 0.18 -2.42 -0.55 0.00 0.77 0.00 0.00 66.41 64.39 3dxa h THR 86 Cb 0.58 2.72 -0.02 0.00 -1.74 0.00 0.00 68.15 69.69 3dxa h THR 86 CO -0.02 0.73 0.74 -0.76 0.37 0.00 0.00 175.52 176.58 3dxa s LEU 87 N -7.93 4.28 0.13 2.58 1.43 -0.96 -4.92 118.68 113.29 3dxa s LEU 87 Ca -0.10 1.87 0.26 0.00 -1.03 0.00 0.00 54.13 55.13 3dxa s LEU 87 Cb 0.05 -3.56 0.65 0.00 0.03 0.00 0.00 46.19 43.36 3dxa s LEU 87 CO 0.92 -0.62 1.58 -1.54 0.23 0.00 0.00 176.35 176.92 3dxa n SER 88 N 5.31 0.65 -3.70 2.29 3.41 -1.26 -4.47 113.62 115.86 3dxa n SER 88 Ca 0.12 0.32 -0.11 0.00 -0.26 0.00 0.00 58.87 58.93 3dxa n SER 88 Cb 0.46 -0.29 -0.11 0.00 -0.26 0.00 0.00 64.21 64.00 3dxa n SER 88 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3dxa s GLN 89 N -3.11 0.41 0.00 4.33 0.74 -1.26 -5.13 119.66 115.65 3dxa s GLN 89 Ca 0.09 0.77 -0.39 0.00 0.05 0.00 0.00 55.36 55.89 3dxa s GLN 89 Cb 0.14 0.01 -0.18 0.00 1.10 0.00 0.00 33.01 34.08 3dxa s GLN 89 CO 0.65 -0.15 1.29 -2.30 -0.55 0.00 0.00 175.29 174.24 3dxa n PRO 90 N 4.10 0.72 -2.98 1.67 -0.02 -1.26 -4.92 135.00 132.31 3dxa n PRO 90 Ca -0.22 0.26 -0.41 0.00 -2.02 0.00 0.00 63.50 61.11 3dxa n PRO 90 Cb 0.55 -1.85 -0.05 0.00 -0.02 0.00 0.00 33.50 32.13 3dxa n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3dxa s LYS 91 N 0.67 4.20 -0.28 -0.52 2.20 -0.70 -4.93 119.74 120.38 3dxa s LYS 91 Ca 0.89 0.82 -0.04 0.00 -0.36 0.00 0.00 55.97 57.28 3dxa s LYS 91 Cb -1.09 -3.62 0.02 0.00 -1.51 0.00 0.00 37.83 31.63 3dxa s LYS 91 CO 0.53 -0.40 0.01 0.42 -0.36 0.00 0.00 175.35 175.55 3dxa s ILE 92 N 2.45 3.39 -0.24 5.43 1.01 -1.26 -1.37 121.20 130.61 3dxa s ILE 92 Ca 0.33 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 3dxa s ILE 92 Cb -0.16 -2.77 -0.00 0.00 0.01 0.00 0.00 42.46 39.54 3dxa s ILE 92 CO 0.09 0.09 -0.01 -0.69 0.00 0.00 0.00 174.94 174.42 3dxa s VAL 93 N 1.39 3.49 0.57 2.92 1.01 0.07 -5.01 120.40 124.84 3dxa s VAL 93 Ca 0.00 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.24 3dxa s VAL 93 Cb -0.17 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 3dxa s VAL 93 CO -0.01 0.33 1.05 -0.54 0.00 0.00 0.00 175.10 175.93 3dxa s LYS 94 N 1.47 3.44 0.08 2.72 1.02 -1.26 -3.00 119.74 124.22 3dxa s LYS 94 Ca 0.05 1.25 -0.13 0.00 0.02 0.00 0.00 55.97 57.15 3dxa s LYS 94 Cb -0.15 -2.05 -0.06 0.00 -0.52 0.00 0.00 37.83 35.05 3dxa s LYS 94 CO -0.02 -0.71 0.46 -0.46 -0.92 0.00 0.00 175.35 173.70 3dxa s TRP 95 N -2.33 3.64 -0.12 3.18 -0.00 -1.21 -4.82 118.94 117.29 3dxa s TRP 95 Ca 0.65 0.95 -0.05 0.00 -0.00 0.00 0.00 56.10 57.65 3dxa s TRP 95 Cb -0.16 -2.28 0.06 0.00 -0.00 0.00 0.00 33.47 31.09 3dxa s TRP 95 CO 0.33 0.53 0.25 0.34 -0.00 0.00 0.00 176.95 178.39 3dxa s ASP 96 N -1.54 0.41 0.00 5.86 -1.08 -1.26 -4.80 116.67 114.26 3dxa s ASP 96 Ca 0.32 0.55 0.17 0.00 -0.52 0.00 0.00 52.55 53.08 3dxa s ASP 96 Cb -0.15 0.64 0.74 0.00 -1.46 0.00 0.00 42.92 42.69 3dxa s ASP 96 CO 0.17 -0.24 1.55 -2.11 0.52 0.00 0.00 175.17 175.06 3dxa n ARG 97 N 5.35 0.00 0.24 4.34 1.85 -1.26 -1.42 116.66 125.76 3dxa n ARG 97 Ca -0.06 0.20 0.14 0.00 -1.00 0.00 0.00 57.85 57.13 3dxa n ARG 97 Cb 0.50 -1.50 0.37 0.00 -1.05 0.00 0.00 32.46 30.78 3dxa n ARG 97 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 3dxa h ASP 98 N 0.00 0.00 0.00 2.89 3.32 -1.97 -3.46 116.42 117.19 3dxa h ASP 98 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dxa h ASP 98 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3dxa h ASP 98 CO 0.00 0.00 0.00 0.23 -1.72 0.00 0.00 179.24 177.75