#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 0.62 0.23 0.38 0.74 -1.26 -5.08 119.66 115.29 3dxa s GLN 2 Ca 0.00 -0.55 -0.14 0.00 0.05 0.00 0.00 55.36 54.72 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 -0.79 0.62 1.03 -0.55 0.00 0.00 175.29 175.60 3dxa s ARG 3 N 1.12 3.96 0.17 1.67 0.52 0.19 -4.90 118.95 121.68 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 -2.70 -0.06 0.00 0.52 0.00 0.00 34.95 32.76 3dxa s ARG 3 CO -0.08 0.33 0.44 -0.08 0.02 0.00 0.00 175.30 175.92 3dxa s THR 4 N -1.72 5.09 0.64 0.02 -1.32 -1.26 -2.17 115.64 114.91 3dxa s THR 4 Ca 0.46 0.17 -0.10 0.00 -1.21 0.00 0.00 61.69 61.00 3dxa s THR 4 Cb -0.13 -3.62 -0.02 0.00 -1.51 0.00 0.00 72.50 67.22 3dxa s THR 4 CO 0.20 -0.01 1.03 -2.16 -2.21 0.00 0.00 174.62 171.47 3dxa s PRO 5 N -2.74 3.27 -0.01 7.08 0.04 -1.26 -4.41 135.00 136.97 3dxa s PRO 5 Ca 0.43 0.55 0.06 0.00 0.04 0.00 0.00 61.00 62.08 3dxa s PRO 5 Cb -0.12 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 3dxa s PRO 5 CO 0.24 -0.73 -0.19 0.15 0.04 0.00 0.00 177.00 176.51 3dxa s LYS 6 N -5.20 2.24 -0.03 4.56 1.02 -0.31 -4.95 119.74 117.07 3dxa s LYS 6 Ca 0.56 -0.86 0.04 0.00 0.02 0.00 0.00 55.97 55.72 3dxa s LYS 6 Cb -0.11 -2.22 -0.00 0.00 -0.52 0.00 0.00 37.83 34.98 3dxa s LYS 6 CO 0.52 0.58 -0.14 0.42 -0.92 0.00 0.00 175.35 175.80 3dxa s ILE 7 N -0.77 1.15 -0.03 2.17 1.01 -1.26 -1.65 121.20 121.82 3dxa s ILE 7 Ca 0.12 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.21 3dxa s ILE 7 Cb -0.10 -0.98 0.01 0.00 0.01 0.00 0.00 42.46 41.39 3dxa s ILE 7 CO 0.02 0.34 -0.08 -1.10 0.00 0.00 0.00 174.94 174.11 3dxa s GLN 8 N -0.07 0.93 -0.10 2.79 -0.21 -1.05 -5.02 119.66 116.93 3dxa s GLN 8 Ca 0.00 -0.27 0.04 0.00 0.02 0.00 0.00 55.36 55.14 3dxa s GLN 8 Cb -0.08 -0.87 0.00 0.00 1.00 0.00 0.00 33.01 33.05 3dxa s GLN 8 CO 0.01 0.09 -0.22 0.08 -2.12 0.00 0.00 175.29 173.13 3dxa s VAL 9 N 0.28 1.89 0.15 1.09 1.01 -1.26 -1.93 120.40 121.62 3dxa s VAL 9 Ca -0.04 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 60.77 3dxa s VAL 9 Cb -0.09 -1.64 0.07 0.00 0.00 0.00 0.00 36.38 34.72 3dxa s VAL 9 CO 0.00 0.52 0.99 -0.72 0.00 0.00 0.00 175.10 175.90 3dxa s TYR 10 N 0.43 -0.10 -0.02 5.22 -0.85 -0.85 -4.49 117.35 116.69 3dxa s TYR 10 Ca -0.17 -0.21 -0.00 0.00 -0.52 0.00 0.00 57.07 56.17 3dxa s TYR 10 Cb -0.17 0.64 -0.04 0.00 0.38 0.00 0.00 41.96 42.77 3dxa s TYR 10 CO 0.07 -0.80 0.04 -1.54 -1.52 0.00 0.00 175.55 171.80 3dxa s SER 11 N -3.00 5.42 0.10 -0.18 1.04 -1.26 0.92 113.70 116.73 3dxa s SER 11 Ca 0.13 0.10 -0.27 0.00 0.48 0.00 0.00 55.95 56.39 3dxa s SER 11 Cb -0.01 -1.51 -0.13 0.00 0.10 0.00 0.00 66.02 64.48 3dxa s SER 11 CO 0.02 0.30 1.66 -0.09 0.98 0.00 0.00 173.24 176.11 3dxa h ARG 12 N 4.39 -0.44 -6.17 4.02 2.43 -1.89 -3.40 114.38 113.33 3dxa h ARG 12 Ca -0.50 0.03 -0.67 0.00 -0.81 0.00 0.00 59.98 58.03 3dxa h ARG 12 Cb 1.18 0.10 -0.16 0.00 -0.42 0.00 0.00 29.97 30.68 3dxa h ARG 12 CO 0.59 -0.29 -0.67 -1.01 -1.51 0.00 0.00 179.97 177.08 3dxa s HIS 13 N -6.10 3.01 0.41 2.20 3.76 -1.26 -5.08 115.29 112.22 3dxa s HIS 13 Ca -0.15 0.05 -0.26 0.00 -0.15 0.00 0.00 55.06 54.54 3dxa s HIS 13 Cb 0.06 -1.67 -0.10 0.00 1.11 0.00 0.00 32.58 31.98 3dxa s HIS 13 CO 0.65 0.42 1.32 -2.30 -0.85 0.00 0.00 174.74 173.97 3dxa n PRO 14 N 1.66 2.09 -3.45 8.40 -0.02 -1.26 -4.84 135.00 137.59 3dxa n PRO 14 Ca -0.16 0.74 -0.38 0.00 -2.02 0.00 0.00 63.50 61.68 3dxa n PRO 14 Cb 0.53 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 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 -1.17 3.67 0.00 3.55 0.00 -1.26 -5.07 121.76 121.48 3dxa s ALA 15 Ca 0.59 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.39 3dxa s ALA 15 Cb -0.51 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.17 3dxa s ALA 15 CO 0.59 0.46 0.00 -0.85 0.00 0.00 0.00 175.76 175.96 3dxa n GLU 16 N 1.81 1.43 -3.19 0.00 0.28 -1.26 -5.05 120.64 114.66 3dxa n GLU 16 Ca -0.13 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.45 3dxa n GLU 16 Cb 0.52 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.32 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 -0.07 6.31 -0.94 -1.84 0.01 -1.26 -2.75 114.94 114.40 3dxa s ASN 17 Ca 0.00 -0.22 -0.00 0.00 -0.71 0.00 0.00 52.86 51.93 3dxa s ASN 17 Cb 0.00 -2.29 0.00 0.00 0.41 0.00 0.00 41.25 39.37 3dxa s ASN 17 CO 0.00 -0.62 0.06 0.61 -1.51 0.00 0.00 177.10 175.65 3dxa n GLY 18 N 4.91 -0.07 0.00 0.66 0.00 -1.26 -4.89 105.19 104.55 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 -2.16 0.70 0.02 1.61 4.76 -1.11 -5.00 118.16 116.97 3dxa n LYS 19 Ca -0.12 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.43 3dxa n LYS 19 Cb 0.59 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.74 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 -0.69 0.53 -3.12 4.39 2.88 -1.26 -4.31 113.62 112.05 3dxa n SER 20 Ca 0.00 -0.18 -0.16 0.00 -1.33 0.00 0.00 58.87 57.21 3dxa n SER 20 Cb 0.00 1.06 -0.04 0.00 -0.75 0.00 0.00 64.21 64.49 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 -2.07 1.99 -4.47 -3.46 2.85 0.14 -4.66 115.26 105.58 3dxa n ASN 21 Ca 0.00 -2.17 -0.30 0.00 -0.11 0.00 0.00 54.58 52.00 3dxa n ASN 21 Cb 0.47 0.35 -0.12 0.00 1.24 0.00 0.00 39.78 41.73 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 -2.15 2.54 -0.07 1.20 0.40 -1.26 -2.31 117.98 116.33 3dxa s PHE 22 Ca 0.05 -0.26 0.03 0.00 -0.60 0.00 0.00 56.93 56.14 3dxa s PHE 22 Cb 0.00 -1.39 0.01 0.00 0.51 0.00 0.00 43.02 42.15 3dxa s PHE 22 CO 0.04 0.33 -0.14 -1.17 0.70 0.00 0.00 175.22 174.97 3dxa s LEU 23 N -1.84 1.72 0.12 -0.37 2.96 0.16 -2.75 118.68 118.67 3dxa s LEU 23 Ca 0.17 -0.35 0.11 0.00 -0.22 0.00 0.00 54.13 53.83 3dxa s LEU 23 Cb -0.11 -0.93 -0.04 0.00 0.50 0.00 0.00 46.19 45.61 3dxa s LEU 23 CO 0.08 0.05 -0.26 0.20 -1.32 0.00 0.00 176.35 175.10 3dxa s ASN 24 N 0.63 3.37 -0.27 3.68 0.01 0.26 -1.47 114.94 121.15 3dxa s ASN 24 Ca -0.15 -0.71 -0.02 0.00 -0.71 0.00 0.00 52.86 51.27 3dxa s ASN 24 Cb -0.16 -0.26 0.09 0.00 0.41 0.00 0.00 41.25 41.32 3dxa s ASN 24 CO 0.04 0.19 0.08 0.00 -1.51 0.00 0.00 177.10 175.90 3dxa s TYR 26 N 1.73 3.15 -0.02 0.00 5.04 -0.81 -1.90 117.35 124.53 3dxa s TYR 26 Ca 0.06 -0.62 -0.08 0.00 -2.44 0.00 0.00 57.07 53.98 3dxa s TYR 26 Cb -0.17 -3.21 -0.05 0.00 0.35 0.00 0.00 41.96 38.88 3dxa s TYR 26 CO -0.21 -0.85 0.27 0.14 -1.34 0.00 0.00 175.55 173.56 3dxa s VAL 27 N 2.14 5.29 0.17 3.14 -7.23 -0.96 -2.53 120.40 120.42 3dxa s VAL 27 Ca 0.10 0.30 -0.18 0.00 -1.81 0.00 0.00 61.98 60.39 3dxa s VAL 27 Cb -0.20 -3.56 0.03 0.00 0.56 0.00 0.00 36.38 33.21 3dxa s VAL 27 CO 0.11 0.45 0.49 -0.94 -0.31 0.00 0.00 175.10 174.89 3dxa s SER 28 N -1.47 -0.29 -0.94 4.85 1.04 -0.66 -1.68 113.70 114.56 3dxa s SER 28 Ca 0.25 -0.37 -0.04 0.00 0.48 0.00 0.00 55.95 56.26 3dxa s SER 28 Cb -0.14 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.53 3dxa s SER 28 CO 0.13 -0.98 0.50 0.61 0.98 0.00 0.00 173.24 174.48 3dxa n GLY 29 N -0.31 -0.05 3.37 7.32 0.00 -0.77 -1.16 105.19 113.59 3dxa n GLY 29 Ca -0.13 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.02 1.72 -0.29 1.61 -0.12 -1.21 -4.44 117.98 112.23 3dxa s PHE 30 Ca 0.25 -0.73 -0.19 0.00 -0.05 0.00 0.00 56.93 56.21 3dxa s PHE 30 Cb -0.11 -0.94 0.17 0.00 -0.63 0.00 0.00 43.02 41.51 3dxa s PHE 30 CO 0.30 0.20 1.13 -1.58 -0.05 0.00 0.00 175.22 175.22 3dxa s HIS 31 N -3.14 -0.35 0.89 3.49 2.46 -0.92 -1.04 115.29 116.68 3dxa s HIS 31 Ca 0.26 0.74 -0.15 0.00 0.47 0.00 0.00 55.06 56.38 3dxa s HIS 31 Cb 0.03 0.29 0.22 0.00 -0.13 0.00 0.00 32.58 32.98 3dxa s HIS 31 CO 0.09 -0.17 0.84 -2.30 -2.47 0.00 0.00 174.74 170.73 3dxa n PRO 32 N 2.99 -2.35 0.04 2.88 -0.02 -1.26 -0.63 135.00 136.64 3dxa n PRO 32 Ca -0.16 -1.34 0.14 0.00 -2.02 0.00 0.00 63.50 60.12 3dxa n PRO 32 Cb 0.57 -1.19 0.52 0.00 -0.02 0.00 0.00 33.50 33.38 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 -4.28 0.32 -4.55 2.55 3.41 -1.26 -4.73 113.62 105.08 3dxa n SER 33 Ca 0.11 0.49 -0.36 0.00 -0.26 0.00 0.00 58.87 58.85 3dxa n SER 33 Cb 0.44 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 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 -3.57 5.38 0.16 4.04 1.11 -1.26 -4.93 116.67 117.60 3dxa s ASP 34 Ca 0.13 -0.03 0.09 0.00 0.18 0.00 0.00 52.55 52.92 3dxa s ASP 34 Cb 0.16 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.57 3dxa s ASP 34 CO 0.56 -2.37 -0.20 -0.51 1.18 0.00 0.00 175.17 173.83 3dxa s ILE 35 N 8.79 1.95 -0.29 0.77 1.10 -1.26 -4.31 121.20 127.94 3dxa s ILE 35 Ca 0.64 -1.89 -0.01 0.00 -0.51 0.00 0.00 60.65 58.87 3dxa s ILE 35 Cb -0.10 -1.88 0.09 0.00 0.15 0.00 0.00 42.46 40.72 3dxa s ILE 35 CO 0.14 -0.22 0.09 -0.70 -2.11 0.00 0.00 174.94 172.14 3dxa s GLU 36 N -2.62 0.68 -0.12 3.50 2.12 -0.60 -5.04 118.70 116.62 3dxa s GLU 36 Ca 0.16 -0.95 -0.02 0.00 0.36 0.00 0.00 54.97 54.52 3dxa s GLU 36 Cb -0.07 -1.94 -0.03 0.00 0.26 0.00 0.00 34.13 32.35 3dxa s GLU 36 CO 0.07 -0.94 -0.05 0.08 -0.54 0.00 0.00 175.26 173.88 3dxa s VAL 37 N 1.68 3.80 -0.04 3.70 1.01 -1.26 -1.45 120.40 127.84 3dxa s VAL 37 Ca 0.08 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.67 3dxa s VAL 37 Cb -0.17 -2.63 0.02 0.00 0.00 0.00 0.00 36.38 33.60 3dxa s VAL 37 CO -0.24 0.53 -0.06 -1.81 0.00 0.00 0.00 175.10 173.53 3dxa s ASP 38 N -0.06 1.00 -0.18 3.32 1.01 -0.73 -5.03 116.67 116.00 3dxa s ASP 38 Ca 0.01 -0.15 -0.22 0.00 0.71 0.00 0.00 52.55 52.90 3dxa s ASP 38 Cb -0.13 -0.46 -0.02 0.00 1.01 0.00 0.00 42.92 43.32 3dxa s ASP 38 CO 0.03 -0.03 0.69 -0.76 0.21 0.00 0.00 175.17 175.30 3dxa s LEU 39 N 0.78 4.17 0.24 1.23 1.43 -1.26 -1.06 118.68 124.21 3dxa s LEU 39 Ca -0.11 0.95 0.05 0.00 -1.03 0.00 0.00 54.13 54.00 3dxa s LEU 39 Cb -0.14 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.06 3dxa s LEU 39 CO 0.01 -0.28 0.34 -0.76 0.23 0.00 0.00 176.35 175.88 3dxa s LEU 40 N 1.84 4.25 -0.13 1.79 1.43 -1.26 -2.76 118.68 123.84 3dxa s LEU 40 Ca 0.32 0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.41 3dxa s LEU 40 Cb -0.16 -2.79 0.05 0.00 0.03 0.00 0.00 46.19 43.31 3dxa s LEU 40 CO 0.12 -0.07 0.06 -0.75 0.23 0.00 0.00 176.35 175.94 3dxa s LYS 41 N -3.97 0.18 -1.07 1.70 2.20 -0.09 -3.76 119.74 114.94 3dxa s LYS 41 Ca 0.34 0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 3dxa s LYS 41 Cb -0.09 -1.44 0.00 0.00 -1.51 0.00 0.00 37.83 34.80 3dxa s LYS 41 CO 0.29 -0.54 0.00 0.09 -0.36 0.00 0.00 175.35 174.83 3dxa n ASN 42 N 5.23 -3.42 0.00 1.43 3.02 -1.16 -0.08 115.26 120.28 3dxa n ASN 42 Ca -0.06 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 3dxa n ASN 42 Cb 0.49 -3.04 0.00 0.00 -0.61 0.00 0.00 39.78 36.62 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 -0.56 3.20 0.00 7.41 0.00 -1.26 -5.07 105.19 108.92 3dxa n GLY 43 Ca -0.13 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 0.27 0.00 1.61 -0.58 0.88 -4.95 120.64 117.87 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 0.36 0.00 -0.57 0.00 0.00 31.44 31.23 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 -0.68 0.01 0.00 3.49 1.74 -1.26 -0.91 116.66 119.05 3dxa n ARG 45 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3dxa n ARG 45 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 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 -1.51 0.00 -2.14 0.55 -5.35 -1.11 -4.42 119.36 105.37 3dxa n ILE 46 Ca 0.06 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.21 3dxa n ILE 46 Cb 0.34 0.00 -0.00 0.00 -1.74 0.00 0.00 39.64 38.24 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 3.47 -0.93 6.28 2.12 -1.26 -4.44 118.70 123.93 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 -0.00 0.00 0.26 0.00 0.00 34.13 32.33 3dxa s GLU 47 CO 0.00 -0.69 0.71 1.63 -0.54 0.00 0.00 175.26 176.37 3dxa n LYS 48 N -1.88 -1.34 -3.38 4.30 4.76 -1.26 -4.96 118.16 114.40 3dxa n LYS 48 Ca 0.08 0.85 -0.39 0.00 -2.87 0.00 0.00 58.31 55.98 3dxa n LYS 48 Cb 0.53 -3.99 -0.08 0.00 -1.84 0.00 0.00 35.03 29.65 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 -3.18 5.18 0.55 -0.18 1.01 -1.26 -5.07 120.40 117.46 3dxa s VAL 49 Ca 0.19 0.69 -0.20 0.00 0.00 0.00 0.00 61.98 62.66 3dxa s VAL 49 Cb -0.07 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 3dxa s VAL 49 CO 0.84 0.21 1.20 -1.61 0.00 0.00 0.00 175.10 175.75 3dxa s GLU 50 N 1.59 3.21 0.10 2.72 2.02 -1.14 -4.87 118.70 122.32 3dxa s GLU 50 Ca 0.18 1.82 0.03 0.00 0.02 0.00 0.00 54.97 57.03 3dxa s GLU 50 Cb -0.15 -2.07 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 3dxa s GLU 50 CO 0.08 -1.01 -0.10 -3.38 0.02 0.00 0.00 175.26 170.88 3dxa s HIS 51 N -1.58 1.04 0.99 1.61 -3.43 -1.26 -0.82 115.29 111.83 3dxa s HIS 51 Ca 0.73 -0.68 -0.17 0.00 -0.80 0.00 0.00 55.06 54.14 3dxa s HIS 51 Cb -0.30 -0.57 0.22 0.00 -1.43 0.00 0.00 32.58 30.50 3dxa s HIS 51 CO 0.34 -0.02 1.34 -1.54 -2.00 0.00 0.00 174.74 172.86 3dxa s SER 52 N -2.52 2.82 0.59 7.38 1.04 0.39 -4.97 113.70 118.44 3dxa s SER 52 Ca 0.06 0.19 -0.16 0.00 0.48 0.00 0.00 55.95 56.53 3dxa s SER 52 Cb -0.02 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.90 3dxa s SER 52 CO -0.00 -2.91 1.06 -1.81 0.98 0.00 0.00 173.24 170.55 3dxa s ASP 53 N -4.92 5.79 0.09 7.02 1.01 -1.26 -4.80 116.67 119.60 3dxa s ASP 53 Ca 0.76 1.81 -0.24 0.00 0.71 0.00 0.00 52.55 55.59 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 -1.16 0.73 -0.22 0.21 0.00 0.00 175.17 175.26 3dxa s LEU 54 N -4.51 4.51 0.00 1.23 2.96 -1.26 -4.78 118.68 116.83 3dxa s LEU 54 Ca 0.63 1.47 -0.04 0.00 -0.22 0.00 0.00 54.13 55.98 3dxa s LEU 54 Cb -0.16 -3.18 0.02 0.00 0.50 0.00 0.00 46.19 43.37 3dxa s LEU 54 CO 0.37 0.14 0.39 -0.24 -1.32 0.00 0.00 176.35 175.69 3dxa n SER 55 N 2.17 -1.11 -3.78 3.68 2.88 -1.25 -5.07 113.62 111.14 3dxa n SER 55 Ca -0.05 -2.24 -0.09 0.00 -1.33 0.00 0.00 58.87 55.16 3dxa n SER 55 Cb 0.50 1.99 -0.03 0.00 -0.75 0.00 0.00 64.21 65.92 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 -3.81 -0.10 0.52 0.66 -0.12 -1.26 -2.28 117.98 111.59 3dxa s PHE 56 Ca 0.17 -0.27 0.09 0.00 -0.05 0.00 0.00 56.93 56.87 3dxa s PHE 56 Cb -0.01 0.46 0.06 0.00 -0.63 0.00 0.00 43.02 42.89 3dxa s PHE 56 CO 0.13 -1.01 0.67 -1.12 -0.05 0.00 0.00 175.22 173.84 3dxa s SER 57 N -2.90 5.18 0.31 1.98 0.01 -0.05 -4.91 113.70 113.33 3dxa s SER 57 Ca 0.11 -0.78 0.06 0.00 1.31 0.00 0.00 55.95 56.64 3dxa s SER 57 Cb -0.02 0.02 0.86 0.00 0.21 0.00 0.00 66.02 67.09 3dxa s SER 57 CO 0.01 -1.13 1.60 0.11 0.41 0.00 0.00 173.24 174.24 3dxa h LYS 58 N 0.41 0.07 -0.38 12.44 6.56 -2.03 0.26 116.57 133.90 3dxa h LYS 58 Ca -0.34 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.25 3dxa h LYS 58 Cb 1.29 -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 -5.36 0.46 -0.02 0.86 5.75 -1.26 -4.84 116.55 112.15 3dxa n ASP 59 Ca 0.26 -2.01 -0.00 0.00 -0.01 0.00 0.00 54.79 53.03 3dxa n ASP 59 Cb 0.84 -0.20 -0.00 0.00 -1.03 0.00 0.00 41.12 40.74 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 -0.28 0.00 -3.04 2.11 7.02 0.91 -5.00 117.44 119.16 3dxa n TRP 60 Ca 0.01 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.09 3dxa n TRP 60 Cb 0.11 -0.87 -0.05 0.00 -2.42 0.00 0.00 31.31 28.08 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 -2.02 7.10 0.61 -0.99 1.04 -1.25 -4.73 113.70 113.46 3dxa s SER 61 Ca 0.00 1.32 -0.14 0.00 0.48 0.00 0.00 55.95 57.61 3dxa s SER 61 Cb 0.00 -2.43 -0.04 0.00 0.10 0.00 0.00 66.02 63.65 3dxa s SER 61 CO 0.00 -0.01 1.03 -0.36 0.98 0.00 0.00 173.24 174.89 3dxa s PHE 62 N 0.17 3.28 -0.21 5.02 0.40 -0.21 -0.87 117.98 125.57 3dxa s PHE 62 Ca 0.37 1.43 -0.14 0.00 -0.60 0.00 0.00 56.93 57.99 3dxa s PHE 62 Cb -0.19 -2.86 0.06 0.00 0.51 0.00 0.00 43.02 40.54 3dxa s PHE 62 CO 0.20 -0.86 0.52 1.52 0.70 0.00 0.00 175.22 177.30 3dxa s TYR 63 N -2.81 -0.70 0.21 0.36 -0.85 -0.97 -1.85 117.35 110.74 3dxa s TYR 63 Ca 0.59 1.53 0.06 0.00 -0.52 0.00 0.00 57.07 58.73 3dxa s TYR 63 Cb -0.13 0.33 -0.05 0.00 0.38 0.00 0.00 41.96 42.49 3dxa s TYR 63 CO 0.44 -0.36 -0.10 -0.51 -1.52 0.00 0.00 175.55 173.50 3dxa s LEU 64 N 1.04 2.49 -0.16 -3.49 1.43 -0.68 -3.80 118.68 115.51 3dxa s LEU 64 Ca -0.06 -1.07 -0.00 0.00 -1.03 0.00 0.00 54.13 51.96 3dxa s LEU 64 Cb -0.06 -0.54 0.03 0.00 0.03 0.00 0.00 46.19 45.65 3dxa s LEU 64 CO -0.09 -0.28 -0.09 -0.22 0.23 0.00 0.00 176.35 175.89 3dxa s LEU 65 N -3.30 1.66 -0.35 1.79 2.96 -1.26 -2.26 118.68 117.92 3dxa s LEU 65 Ca 0.23 -0.58 -0.12 0.00 -0.22 0.00 0.00 54.13 53.45 3dxa s LEU 65 Cb 0.02 -1.03 0.00 0.00 0.50 0.00 0.00 46.19 45.68 3dxa s LEU 65 CO 0.07 -0.13 0.22 -0.31 -1.32 0.00 0.00 176.35 174.87 3dxa s TYR 66 N 1.57 3.22 -0.00 5.38 1.51 -0.80 -0.46 117.35 127.76 3dxa s TYR 66 Ca 0.02 -0.57 0.08 0.00 -1.01 0.00 0.00 57.07 55.59 3dxa s TYR 66 Cb -0.14 -2.45 -0.02 0.00 -0.11 0.00 0.00 41.96 39.24 3dxa s TYR 66 CO -0.09 -0.50 -0.25 1.52 -1.11 0.00 0.00 175.55 175.13 3dxa s TYR 67 N 1.64 2.18 0.00 2.71 -0.85 -0.00 -1.27 117.35 121.76 3dxa s TYR 67 Ca 0.04 -0.41 0.00 0.00 -0.52 0.00 0.00 57.07 56.19 3dxa s TYR 67 Cb -0.18 -1.38 0.00 0.00 0.38 0.00 0.00 41.96 40.78 3dxa s TYR 67 CO 0.08 0.01 0.00 -2.37 -1.52 0.00 0.00 175.55 171.75 3dxa n THR 68 N 2.28 0.00 -3.66 -3.49 5.66 -0.54 -2.88 114.28 111.64 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 0.52 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.18 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 1.29 0.19 0.23 1.09 0.41 -1.26 0.37 118.70 121.02 3dxa s GLU 69 Ca 0.00 0.82 -0.21 0.00 -0.41 0.00 0.00 54.97 55.17 3dxa s GLU 69 Cb 0.00 0.06 0.07 0.00 -1.78 0.00 0.00 34.13 32.48 3dxa s GLU 69 CO 0.00 -0.27 0.97 -0.59 -0.49 0.00 0.00 175.26 174.88 3dxa s PHE 70 N 2.45 0.07 -0.26 1.61 -0.71 -0.98 -4.97 117.98 115.20 3dxa s PHE 70 Ca 0.00 -0.53 0.02 0.00 -1.04 0.00 0.00 56.93 55.39 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 -1.08 -0.11 0.99 -1.34 0.00 0.00 175.22 173.59 3dxa s THR 71 N -2.27 2.23 -1.22 -4.49 2.01 -1.26 0.28 115.64 110.91 3dxa s THR 71 Ca 0.20 -1.56 -0.17 0.00 0.31 0.00 0.00 61.69 60.47 3dxa s THR 71 Cb -0.03 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 3dxa s THR 71 CO 0.07 0.01 2.12 -0.81 -0.69 0.00 0.00 174.62 175.32 3dxa n PRO 72 N 4.46 2.39 -2.66 4.92 -0.04 -1.26 -4.68 135.00 138.12 3dxa n PRO 72 Ca -0.15 -2.35 -0.35 0.00 -0.04 0.00 0.00 63.50 60.62 3dxa n PRO 72 Cb 0.43 -3.17 -0.05 0.00 -0.04 0.00 0.00 33.50 30.67 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 3.86 4.00 -0.91 0.52 -4.23 -1.26 -3.99 115.64 113.64 3dxa s THR 73 Ca 0.51 1.42 0.02 0.00 -1.18 0.00 0.00 61.69 62.46 3dxa s THR 73 Cb 0.14 -3.68 0.11 0.00 1.34 0.00 0.00 72.50 70.42 3dxa s THR 73 CO -0.02 -0.10 0.68 -0.62 -0.54 0.00 0.00 174.62 174.02 3dxa n GLU 74 N -0.28 1.54 -0.00 3.99 1.02 -1.26 -2.49 120.64 123.16 3dxa n GLU 74 Ca 0.06 -0.43 0.00 0.00 -0.02 0.00 0.00 57.16 56.77 3dxa n GLU 74 Cb 0.51 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 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 0.08 2.00 -4.05 3.49 5.02 -1.26 -5.01 118.16 118.44 3dxa n LYS 75 Ca 0.04 -1.26 -0.24 0.00 -2.02 0.00 0.00 58.31 54.83 3dxa n LYS 75 Cb 0.38 -1.01 -0.17 0.00 -0.02 0.00 0.00 35.03 34.21 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 -0.75 1.74 0.51 4.39 1.11 -1.04 -5.14 116.67 117.49 3dxa s ASP 76 Ca 0.00 -0.22 -0.04 0.00 0.18 0.00 0.00 52.55 52.48 3dxa s ASP 76 Cb 0.00 -0.67 -0.01 0.00 1.07 0.00 0.00 42.92 43.31 3dxa s ASP 76 CO 0.00 -0.10 0.79 -1.61 1.18 0.00 0.00 175.17 175.43 3dxa s GLU 77 N 1.43 3.14 0.00 8.23 2.02 -1.26 -4.71 118.70 127.55 3dxa s GLU 77 Ca -0.02 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 54.86 3dxa s GLU 77 Cb -0.13 -2.40 0.00 0.00 0.10 0.00 0.00 34.13 31.69 3dxa s GLU 77 CO -0.04 -0.41 0.00 0.66 0.02 0.00 0.00 175.26 175.49 3dxa n TYR 78 N -2.32 0.00 0.00 1.61 4.02 -1.26 -2.98 117.16 116.23 3dxa n TYR 78 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 3dxa n TYR 78 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.89 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 0.67 -0.70 -0.72 0.00 -1.25 -3.61 120.51 111.90 3dxa n ALA 79 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 3dxa n ALA 79 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.22 -0.68 118.95 122.43 3dxa s ARG 81 Ca 0.41 -0.48 0.04 0.00 -0.13 0.00 0.00 55.73 55.56 3dxa s ARG 81 Cb -0.57 -2.03 -0.01 0.00 -1.56 0.00 0.00 34.95 30.78 3dxa s ARG 81 CO 0.27 -0.53 -0.22 0.08 -0.81 0.00 0.00 175.30 174.09 3dxa s VAL 82 N 1.73 2.31 -0.04 7.11 1.01 -0.47 -1.78 120.40 130.27 3dxa s VAL 82 Ca -0.01 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.09 3dxa s VAL 82 Cb -0.16 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 3dxa s VAL 82 CO -0.07 0.56 -0.23 0.21 0.00 0.00 0.00 175.10 175.57 3dxa s ASN 83 N 0.19 2.74 0.15 3.32 2.47 -0.53 -1.83 114.94 121.43 3dxa s ASN 83 Ca -0.13 -0.44 0.01 0.00 0.42 0.00 0.00 52.86 52.72 3dxa s ASN 83 Cb -0.16 -0.54 -0.04 0.00 -1.45 0.00 0.00 41.25 39.06 3dxa s ASN 83 CO 0.07 0.25 0.01 -2.28 -3.72 0.00 0.00 177.10 171.43 3dxa s HIS 84 N -0.31 1.03 0.53 0.43 5.65 -1.26 -1.55 115.29 119.81 3dxa s HIS 84 Ca 0.02 -1.09 0.20 0.00 0.25 0.00 0.00 55.06 54.45 3dxa s HIS 84 Cb -0.11 -0.59 1.35 0.00 -1.18 0.00 0.00 32.58 32.05 3dxa s HIS 84 CO 0.01 -0.32 2.10 -0.24 -0.65 0.00 0.00 174.74 175.65 3dxa h VAL 85 N 2.79 0.87 0.14 0.89 3.04 -1.95 -2.71 116.25 119.33 3dxa h VAL 85 Ca -0.36 0.00 -0.30 0.00 -1.01 0.00 0.00 66.70 65.03 3dxa h VAL 85 Cb 1.20 0.91 0.03 0.00 -2.01 0.00 0.00 31.29 31.42 3dxa h VAL 85 CO 0.62 0.00 -1.25 0.74 -1.01 0.00 0.00 177.57 176.67 3dxa h THR 86 N 0.00 1.30 -3.05 3.17 2.02 -1.93 -3.44 112.91 110.97 3dxa h THR 86 Ca 0.08 -2.49 -0.55 0.00 0.77 0.00 0.00 66.41 64.22 3dxa h THR 86 Cb 0.34 2.78 -0.02 0.00 -1.74 0.00 0.00 68.15 69.51 3dxa h THR 86 CO -0.00 0.75 0.73 -0.76 0.37 0.00 0.00 175.52 176.61 3dxa s LEU 87 N -7.84 4.28 0.06 2.58 1.43 -1.02 -4.93 118.68 113.23 3dxa s LEU 87 Ca -0.10 1.85 0.26 0.00 -1.03 0.00 0.00 54.13 55.11 3dxa s LEU 87 Cb 0.05 -3.56 0.71 0.00 0.03 0.00 0.00 46.19 43.42 3dxa s LEU 87 CO 0.93 -0.61 1.58 -1.54 0.23 0.00 0.00 176.35 176.94 3dxa n SER 88 N 5.30 0.45 -3.69 2.29 3.41 -1.26 -4.45 113.62 115.67 3dxa n SER 88 Ca 0.11 0.16 -0.10 0.00 -0.26 0.00 0.00 58.87 58.79 3dxa n SER 88 Cb 0.46 -0.12 -0.10 0.00 -0.26 0.00 0.00 64.21 64.18 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 -3.05 0.46 0.04 4.33 0.74 -1.26 -5.13 119.66 115.79 3dxa s GLN 89 Ca 0.11 0.86 -0.38 0.00 0.05 0.00 0.00 55.36 55.99 3dxa s GLN 89 Cb 0.16 0.03 -0.18 0.00 1.10 0.00 0.00 33.01 34.12 3dxa s GLN 89 CO 0.64 -0.15 1.25 -2.30 -0.55 0.00 0.00 175.29 174.18 3dxa n PRO 90 N 4.15 0.69 -2.99 1.67 -0.02 -1.26 -4.92 135.00 132.31 3dxa n PRO 90 Ca -0.22 0.25 -0.41 0.00 -2.02 0.00 0.00 63.50 61.10 3dxa n PRO 90 Cb 0.56 -1.83 -0.05 0.00 -0.02 0.00 0.00 33.50 32.16 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 0.39 4.25 -0.27 -0.52 2.20 -0.76 -4.94 119.74 120.08 3dxa s LYS 91 Ca 0.88 0.83 -0.03 0.00 -0.36 0.00 0.00 55.97 57.28 3dxa s LYS 91 Cb -1.09 -3.58 0.02 0.00 -1.51 0.00 0.00 37.83 31.68 3dxa s LYS 91 CO 0.52 -0.30 -0.01 0.42 -0.36 0.00 0.00 175.35 175.61 3dxa s ILE 92 N 2.10 3.20 -0.24 5.43 1.01 -1.26 -1.37 121.20 130.07 3dxa s ILE 92 Ca 0.34 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.96 3dxa s ILE 92 Cb -0.16 -2.66 -0.00 0.00 0.01 0.00 0.00 42.46 39.64 3dxa s ILE 92 CO 0.11 0.12 -0.02 -0.69 0.00 0.00 0.00 174.94 174.46 3dxa s VAL 93 N 1.36 3.42 0.57 2.92 1.01 0.14 -5.01 120.40 124.81 3dxa s VAL 93 Ca 0.00 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 3dxa s VAL 93 Cb -0.17 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 3dxa s VAL 93 CO -0.02 0.34 1.05 -0.54 0.00 0.00 0.00 175.10 175.93 3dxa s LYS 94 N 1.46 3.44 0.09 2.72 1.02 -1.26 -2.96 119.74 124.25 3dxa s LYS 94 Ca 0.05 1.23 -0.14 0.00 0.02 0.00 0.00 55.97 57.13 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 0.48 -0.46 -0.92 0.00 0.00 175.35 173.71 3dxa s TRP 95 N -2.36 3.65 -0.12 3.18 -0.00 -1.24 -4.85 118.94 117.20 3dxa s TRP 95 Ca 0.64 0.99 -0.05 0.00 -0.00 0.00 0.00 56.10 57.69 3dxa s TRP 95 Cb -0.16 -2.31 0.06 0.00 -0.00 0.00 0.00 33.47 31.07 3dxa s TRP 95 CO 0.33 0.52 0.25 0.34 -0.00 0.00 0.00 176.95 178.39 3dxa s ASP 96 N -1.52 0.42 0.00 5.86 -1.08 -1.26 -4.79 116.67 114.30 3dxa s ASP 96 Ca 0.32 0.55 0.18 0.00 -0.52 0.00 0.00 52.55 53.08 3dxa s ASP 96 Cb -0.16 0.64 0.80 0.00 -1.46 0.00 0.00 42.92 42.75 3dxa s ASP 96 CO 0.17 -0.24 1.56 -2.11 0.52 0.00 0.00 175.17 175.07 3dxa n ARG 97 N 5.35 0.08 0.23 4.34 1.85 -1.26 -1.50 116.66 125.74 3dxa n ARG 97 Ca -0.06 0.17 0.13 0.00 -1.00 0.00 0.00 57.85 57.10 3dxa n ARG 97 Cb 0.50 -1.50 0.31 0.00 -1.05 0.00 0.00 32.46 30.72 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 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3dxa h ASP 98 CO 0.00 0.00 0.00 0.23 -1.72 0.00 0.00 179.24 177.75