#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 0.64 0.22 0.38 0.74 -1.26 -5.08 119.66 115.30 3dxa s GLN 2 Ca 0.00 -0.58 -0.14 0.00 0.05 0.00 0.00 55.36 54.69 3dxa s GLN 2 Cb 0.00 -0.02 -0.08 0.00 1.10 0.00 0.00 33.01 34.02 3dxa s GLN 2 CO 0.00 -0.81 0.62 1.03 -0.55 0.00 0.00 175.29 175.58 3dxa s ARG 3 N 1.08 3.98 0.16 1.67 0.52 0.19 -4.90 118.95 121.65 3dxa s ARG 3 Ca 0.25 0.54 -0.07 0.00 -0.52 0.00 0.00 55.73 55.92 3dxa s ARG 3 Cb 0.05 -2.74 -0.06 0.00 0.52 0.00 0.00 34.95 32.72 3dxa s ARG 3 CO -0.08 0.35 0.43 -0.08 0.02 0.00 0.00 175.30 175.94 3dxa s THR 4 N -1.68 5.08 0.70 0.02 -1.32 -1.26 -2.11 115.64 115.06 3dxa s THR 4 Ca 0.45 0.26 -0.11 0.00 -1.21 0.00 0.00 61.69 61.07 3dxa s THR 4 Cb -0.13 -3.63 0.01 0.00 -1.51 0.00 0.00 72.50 67.24 3dxa s THR 4 CO 0.20 0.06 1.08 -2.16 -2.21 0.00 0.00 174.62 171.58 3dxa s PRO 5 N -2.54 2.95 0.00 7.08 0.04 -1.26 -4.43 135.00 136.84 3dxa s PRO 5 Ca 0.41 0.58 0.07 0.00 0.04 0.00 0.00 61.00 62.10 3dxa s PRO 5 Cb -0.12 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 3dxa s PRO 5 CO 0.22 -1.00 -0.21 0.15 0.04 0.00 0.00 177.00 176.20 3dxa s LYS 6 N -5.27 2.15 -0.03 4.56 1.02 -0.32 -4.95 119.74 116.89 3dxa s LYS 6 Ca 0.58 -0.92 0.03 0.00 0.02 0.00 0.00 55.97 55.68 3dxa s LYS 6 Cb -0.12 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 3dxa s LYS 6 CO 0.53 0.56 -0.13 0.42 -0.92 0.00 0.00 175.35 175.81 3dxa s ILE 7 N -0.77 1.09 -0.03 2.17 1.01 -1.26 -1.70 121.20 121.71 3dxa s ILE 7 Ca 0.12 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.27 3dxa s ILE 7 Cb -0.10 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.42 3dxa s ILE 7 CO 0.02 0.33 -0.10 -1.10 0.00 0.00 0.00 174.94 174.08 3dxa s GLN 8 N 0.13 1.12 -0.09 2.79 -0.21 -1.04 -5.02 119.66 117.34 3dxa s GLN 8 Ca -0.04 -0.35 0.04 0.00 0.02 0.00 0.00 55.36 55.03 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 0.12 -0.23 0.08 -2.12 0.00 0.00 175.29 173.16 3dxa s VAL 9 N 0.21 1.93 0.14 1.09 1.01 -1.26 -1.95 120.40 121.57 3dxa s VAL 9 Ca -0.04 -0.95 -0.25 0.00 0.00 0.00 0.00 61.98 60.74 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 0.53 1.00 -0.72 0.00 0.00 0.00 175.10 175.92 3dxa s TYR 10 N 0.29 -0.10 0.02 5.22 -0.85 -0.84 -4.52 117.35 116.56 3dxa s TYR 10 Ca -0.16 -0.20 0.01 0.00 -0.52 0.00 0.00 57.07 56.19 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 0.08 -1.54 -1.52 0.00 0.00 175.55 171.85 3dxa s SER 11 N -3.00 5.63 0.08 -0.18 1.04 -1.26 0.66 113.70 116.67 3dxa s SER 11 Ca 0.13 0.10 -0.28 0.00 0.48 0.00 0.00 55.95 56.39 3dxa s SER 11 Cb -0.01 -1.59 -0.16 0.00 0.10 0.00 0.00 66.02 64.36 3dxa s SER 11 CO 0.02 0.25 1.68 -0.09 0.98 0.00 0.00 173.24 176.08 3dxa h ARG 12 N 3.90 -0.43 -6.23 4.02 2.43 -1.90 -3.41 114.38 112.78 3dxa h ARG 12 Ca -0.48 0.03 -0.68 0.00 -0.81 0.00 0.00 59.98 58.04 3dxa h ARG 12 Cb 1.18 0.10 -0.17 0.00 -0.42 0.00 0.00 29.97 30.65 3dxa h ARG 12 CO 0.63 -0.28 -0.69 -1.01 -1.51 0.00 0.00 179.97 177.11 3dxa s HIS 13 N -6.12 2.93 0.38 2.20 3.76 -1.26 -5.08 115.29 112.10 3dxa s HIS 13 Ca -0.15 -0.00 -0.26 0.00 -0.15 0.00 0.00 55.06 54.49 3dxa s HIS 13 Cb 0.05 -1.65 -0.11 0.00 1.11 0.00 0.00 32.58 31.98 3dxa s HIS 13 CO 0.64 0.37 1.22 -2.30 -0.85 0.00 0.00 174.74 173.82 3dxa n PRO 14 N 1.75 1.87 -3.05 8.40 -0.02 -1.26 -4.83 135.00 137.85 3dxa n PRO 14 Ca -0.16 0.66 -0.34 0.00 -2.02 0.00 0.00 63.50 61.64 3dxa n PRO 14 Cb 0.53 -2.27 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 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 -1.16 3.31 0.00 3.55 0.00 -1.26 -5.06 121.76 121.13 3dxa s ALA 15 Ca 0.59 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.72 3dxa s ALA 15 Cb -0.55 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3dxa s ALA 15 CO 0.59 0.29 0.00 -0.85 0.00 0.00 0.00 175.76 175.80 3dxa n GLU 16 N 0.04 1.77 -3.66 0.00 0.28 -1.26 -5.06 120.64 112.75 3dxa n GLU 16 Ca 0.02 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.63 3dxa n GLU 16 Cb 0.52 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.28 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 0.68 5.55 -1.33 -1.84 0.01 -1.26 -2.99 114.94 113.76 3dxa s ASN 17 Ca 0.00 -0.99 -0.05 0.00 -0.71 0.00 0.00 52.86 51.11 3dxa s ASN 17 Cb 0.00 -1.96 0.02 0.00 0.41 0.00 0.00 41.25 39.72 3dxa s ASN 17 CO 0.00 -0.34 0.94 0.61 -1.51 0.00 0.00 177.10 176.80 3dxa n GLY 18 N 4.93 -0.40 0.56 0.66 0.00 -1.25 -4.87 105.19 104.81 3dxa n GLY 18 Ca -0.12 0.16 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.47 -1.29 -0.00 1.61 4.76 -1.16 -5.01 118.16 112.60 3dxa n LYS 19 Ca -0.17 -0.28 0.06 0.00 -2.87 0.00 0.00 58.31 55.05 3dxa n LYS 19 Cb 0.62 -0.26 -0.08 0.00 -1.84 0.00 0.00 35.03 33.47 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 -3.29 1.24 -3.08 4.39 2.88 -1.26 -4.12 113.62 110.38 3dxa n SER 20 Ca 0.02 -0.44 -0.15 0.00 -1.33 0.00 0.00 58.87 56.97 3dxa n SER 20 Cb 0.09 1.25 -0.04 0.00 -0.75 0.00 0.00 64.21 64.77 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 -1.58 1.99 -4.46 -3.46 2.85 0.12 -4.68 115.26 106.04 3dxa n ASN 21 Ca 0.00 -2.14 -0.30 0.00 -0.11 0.00 0.00 54.58 52.03 3dxa n ASN 21 Cb 0.25 0.34 -0.12 0.00 1.24 0.00 0.00 39.78 41.50 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 -2.13 2.50 -0.07 1.20 0.40 -1.26 -2.32 117.98 116.31 3dxa s PHE 22 Ca 0.05 -0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.12 3dxa s PHE 22 Cb 0.00 -1.37 0.01 0.00 0.51 0.00 0.00 43.02 42.17 3dxa s PHE 22 CO 0.03 0.32 -0.14 -1.17 0.70 0.00 0.00 175.22 174.97 3dxa s LEU 23 N -1.85 1.71 0.12 -0.37 2.96 0.41 -2.83 118.68 118.83 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 -0.10 -0.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 3dxa s LEU 23 CO 0.08 0.05 -0.26 0.20 -1.32 0.00 0.00 176.35 175.09 3dxa s ASN 24 N 0.61 3.35 -0.28 3.68 0.01 0.21 -1.69 114.94 120.83 3dxa s ASN 24 Ca -0.15 -0.73 -0.01 0.00 -0.71 0.00 0.00 52.86 51.26 3dxa s ASN 24 Cb -0.16 -0.25 0.09 0.00 0.41 0.00 0.00 41.25 41.34 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 1.70 3.14 -0.01 0.00 5.04 -0.82 -2.17 117.35 124.24 3dxa s TYR 26 Ca 0.07 -0.53 -0.07 0.00 -2.44 0.00 0.00 57.07 54.10 3dxa s TYR 26 Cb -0.17 -3.19 -0.05 0.00 0.35 0.00 0.00 41.96 38.90 3dxa s TYR 26 CO -0.23 -0.84 0.27 0.14 -1.34 0.00 0.00 175.55 173.55 3dxa s VAL 27 N 2.23 5.30 0.18 3.14 -7.23 -0.92 -2.50 120.40 120.60 3dxa s VAL 27 Ca 0.12 0.23 -0.18 0.00 -1.81 0.00 0.00 61.98 60.34 3dxa s VAL 27 Cb -0.19 -3.56 0.03 0.00 0.56 0.00 0.00 36.38 33.22 3dxa s VAL 27 CO 0.12 0.41 0.51 -0.94 -0.31 0.00 0.00 175.10 174.89 3dxa s SER 28 N -1.58 -0.28 -1.01 4.85 1.04 -0.69 -1.66 113.70 114.37 3dxa s SER 28 Ca 0.26 -0.42 -0.05 0.00 0.48 0.00 0.00 55.95 56.22 3dxa s SER 28 Cb -0.13 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.56 3dxa s SER 28 CO 0.14 -1.02 0.62 0.61 0.98 0.00 0.00 173.24 174.58 3dxa n GLY 29 N -0.33 -0.12 3.36 7.32 0.00 -0.75 -1.17 105.19 113.51 3dxa n GLY 29 Ca -0.11 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.10 1.72 -0.29 1.61 -0.12 -1.21 -4.43 117.98 112.16 3dxa s PHE 30 Ca 0.31 -0.71 -0.19 0.00 -0.05 0.00 0.00 56.93 56.28 3dxa s PHE 30 Cb -0.14 -0.92 0.15 0.00 -0.63 0.00 0.00 43.02 41.49 3dxa s PHE 30 CO 0.38 0.22 1.08 -1.58 -0.05 0.00 0.00 175.22 175.27 3dxa s HIS 31 N -3.12 -0.42 0.85 3.49 2.46 -0.90 -0.89 115.29 116.77 3dxa s HIS 31 Ca 0.26 0.88 -0.14 0.00 0.47 0.00 0.00 55.06 56.53 3dxa s HIS 31 Cb 0.03 0.32 0.21 0.00 -0.13 0.00 0.00 32.58 33.00 3dxa s HIS 31 CO 0.08 -0.20 0.80 -2.30 -2.47 0.00 0.00 174.74 170.65 3dxa n PRO 32 N 3.02 -2.28 0.01 2.88 -0.02 -1.26 -0.64 135.00 136.72 3dxa n PRO 32 Ca -0.16 -1.28 0.14 0.00 -2.02 0.00 0.00 63.50 60.18 3dxa n PRO 32 Cb 0.57 -1.13 0.54 0.00 -0.02 0.00 0.00 33.50 33.46 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 -4.22 0.16 -4.55 2.55 3.41 -1.26 -4.74 113.62 104.97 3dxa n SER 33 Ca 0.11 0.40 -0.37 0.00 -0.26 0.00 0.00 58.87 58.75 3dxa n SER 33 Cb 0.42 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 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 -3.17 5.43 0.15 4.04 1.11 -1.26 -4.94 116.67 118.05 3dxa s ASP 34 Ca 0.13 -0.06 0.09 0.00 0.18 0.00 0.00 52.55 52.89 3dxa s ASP 34 Cb 0.18 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.59 3dxa s ASP 34 CO 0.56 -2.33 -0.21 -0.51 1.18 0.00 0.00 175.17 173.86 3dxa s ILE 35 N 8.59 1.96 -0.29 0.77 1.10 -1.26 -4.30 121.20 127.76 3dxa s ILE 35 Ca 0.62 -1.85 -0.01 0.00 -0.51 0.00 0.00 60.65 58.90 3dxa s ILE 35 Cb -0.10 -1.86 0.09 0.00 0.15 0.00 0.00 42.46 40.74 3dxa s ILE 35 CO 0.14 -0.18 0.09 -0.70 -2.11 0.00 0.00 174.94 172.19 3dxa s GLU 36 N -2.50 0.69 -0.12 3.50 2.12 -0.55 -5.04 118.70 116.80 3dxa s GLU 36 Ca 0.15 -0.96 -0.02 0.00 0.36 0.00 0.00 54.97 54.49 3dxa s GLU 36 Cb -0.08 -1.95 -0.03 0.00 0.26 0.00 0.00 34.13 32.33 3dxa s GLU 36 CO 0.07 -0.94 -0.05 0.08 -0.54 0.00 0.00 175.26 173.87 3dxa s VAL 37 N 1.67 3.80 -0.04 3.70 1.01 -1.26 -1.49 120.40 127.78 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 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.61 3dxa s VAL 37 CO -0.24 0.53 -0.05 -1.81 0.00 0.00 0.00 175.10 173.53 3dxa s ASP 38 N -0.04 1.01 -0.16 3.32 1.01 -0.77 -5.03 116.67 116.01 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 -0.48 -0.02 0.00 1.01 0.00 0.00 42.92 43.30 3dxa s ASP 38 CO 0.03 -0.04 0.70 -0.76 0.21 0.00 0.00 175.17 175.31 3dxa s LEU 39 N 0.82 4.19 0.24 1.23 1.43 -1.26 -0.96 118.68 124.38 3dxa s LEU 39 Ca -0.12 1.00 0.06 0.00 -1.03 0.00 0.00 54.13 54.04 3dxa s LEU 39 Cb -0.14 -3.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 3dxa s LEU 39 CO 0.01 -0.27 0.32 -0.76 0.23 0.00 0.00 176.35 175.88 3dxa s LEU 40 N 1.71 4.20 -0.14 1.79 1.43 -1.26 -2.06 118.68 124.33 3dxa s LEU 40 Ca 0.33 -0.01 -0.04 0.00 -1.03 0.00 0.00 54.13 53.38 3dxa s LEU 40 Cb -0.16 -2.74 0.05 0.00 0.03 0.00 0.00 46.19 43.37 3dxa s LEU 40 CO 0.12 -0.07 0.07 -0.75 0.23 0.00 0.00 176.35 175.96 3dxa s LYS 41 N -3.95 0.12 -1.15 1.70 2.20 -0.31 -3.75 119.74 114.59 3dxa s LYS 41 Ca 0.34 -0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 3dxa s LYS 41 Cb -0.09 -1.57 0.00 0.00 -1.51 0.00 0.00 37.83 34.66 3dxa s LYS 41 CO 0.28 -0.59 0.00 0.09 -0.36 0.00 0.00 175.35 174.77 3dxa n ASN 42 N 5.25 -3.73 0.00 1.43 3.02 -1.16 -0.60 115.26 119.47 3dxa n ASN 42 Ca -0.06 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 3dxa n ASN 42 Cb 0.49 -3.27 0.00 0.00 -0.61 0.00 0.00 39.78 36.39 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 -0.62 3.16 0.00 7.41 0.00 -1.26 -5.07 105.19 108.81 3dxa n GLY 43 Ca -0.14 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 0.39 0.14 1.61 -0.58 0.23 -4.96 120.64 117.47 3dxa n GLU 44 Ca 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.75 3dxa n GLU 44 Cb 0.00 0.00 0.16 0.00 -0.57 0.00 0.00 31.44 31.03 3dxa n GLU 44 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dxa h ARG 45 N 0.00 0.00 -1.65 3.49 3.08 -1.84 -0.82 114.38 116.64 3dxa h ARG 45 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 3dxa h ARG 45 Cb 0.00 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.07 3dxa h ARG 45 CO 0.00 0.58 -0.05 0.44 -1.07 0.00 0.00 179.97 179.87 3dxa n ILE 46 N -3.54 0.22 -2.19 2.04 -5.35 -0.88 -4.29 119.36 105.37 3dxa n ILE 46 Ca -0.00 -0.06 -0.33 0.00 -0.27 0.00 0.00 62.75 62.10 3dxa n ILE 46 Cb 0.65 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.54 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 -0.11 3.56 -0.96 6.28 2.12 -1.26 -4.47 118.70 123.86 3dxa s GLU 47 Ca 0.22 1.12 -0.10 0.00 0.36 0.00 0.00 54.97 56.57 3dxa s GLU 47 Cb -0.31 -2.07 -0.01 0.00 0.26 0.00 0.00 34.13 32.00 3dxa s GLU 47 CO 0.16 -0.60 0.73 1.63 -0.54 0.00 0.00 175.26 176.63 3dxa n LYS 48 N -1.82 -1.34 -3.37 4.30 4.76 -1.26 -4.96 118.16 114.46 3dxa n LYS 48 Ca 0.08 0.81 -0.38 0.00 -2.87 0.00 0.00 58.31 55.95 3dxa n LYS 48 Cb 0.53 -4.13 -0.07 0.00 -1.84 0.00 0.00 35.03 29.52 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 -3.23 5.20 0.56 -0.18 1.01 -1.26 -5.07 120.40 117.44 3dxa s VAL 49 Ca 0.24 0.77 -0.19 0.00 0.00 0.00 0.00 61.98 62.79 3dxa s VAL 49 Cb -0.08 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 3dxa s VAL 49 CO 0.84 0.28 1.18 -1.61 0.00 0.00 0.00 175.10 175.78 3dxa s GLU 50 N 1.10 3.19 0.09 2.72 2.02 -1.12 -4.89 118.70 121.80 3dxa s GLU 50 Ca 0.21 1.74 0.03 0.00 0.02 0.00 0.00 54.97 56.97 3dxa s GLU 50 Cb -0.15 -2.00 -0.04 0.00 0.10 0.00 0.00 34.13 32.05 3dxa s GLU 50 CO 0.08 -1.01 -0.09 -3.38 0.02 0.00 0.00 175.26 170.88 3dxa s HIS 51 N -1.66 0.93 0.99 1.61 -3.43 -1.26 -0.89 115.29 111.58 3dxa s HIS 51 Ca 0.75 -0.70 -0.17 0.00 -0.80 0.00 0.00 55.06 54.13 3dxa s HIS 51 Cb -0.28 -0.53 0.23 0.00 -1.43 0.00 0.00 32.58 30.57 3dxa s HIS 51 CO 0.31 -0.06 1.35 -1.54 -2.00 0.00 0.00 174.74 172.80 3dxa s SER 52 N -2.46 2.83 0.56 7.38 1.04 0.39 -4.97 113.70 118.47 3dxa s SER 52 Ca 0.04 0.15 -0.17 0.00 0.48 0.00 0.00 55.95 56.46 3dxa s SER 52 Cb -0.02 -0.10 -0.05 0.00 0.10 0.00 0.00 66.02 65.96 3dxa s SER 52 CO -0.01 -2.90 1.04 -1.81 0.98 0.00 0.00 173.24 170.53 3dxa s ASP 53 N -4.96 6.03 0.10 7.02 1.01 -1.26 -4.80 116.67 119.81 3dxa s ASP 53 Ca 0.77 1.79 -0.25 0.00 0.71 0.00 0.00 52.55 55.56 3dxa s ASP 53 Cb -0.02 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.31 3dxa s ASP 53 CO 0.54 -1.00 0.77 -0.22 0.21 0.00 0.00 175.17 175.47 3dxa s LEU 54 N -4.26 4.52 0.00 1.23 2.96 -1.26 -4.79 118.68 117.08 3dxa s LEU 54 Ca 0.63 1.55 -0.03 0.00 -0.22 0.00 0.00 54.13 56.06 3dxa s LEU 54 Cb -0.15 -3.26 0.01 0.00 0.50 0.00 0.00 46.19 43.29 3dxa s LEU 54 CO 0.33 0.11 0.47 -0.24 -1.32 0.00 0.00 176.35 175.70 3dxa n SER 55 N 2.23 -1.31 -3.82 3.68 2.88 -1.25 -5.07 113.62 110.96 3dxa n SER 55 Ca -0.04 -2.69 -0.09 0.00 -1.33 0.00 0.00 58.87 54.72 3dxa n SER 55 Cb 0.49 2.41 -0.04 0.00 -0.75 0.00 0.00 64.21 66.33 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 -3.10 0.00 0.53 0.66 -0.12 -1.26 -2.30 117.98 112.39 3dxa s PHE 56 Ca 0.25 -0.36 0.09 0.00 -0.05 0.00 0.00 56.93 56.85 3dxa s PHE 56 Cb -0.01 0.36 0.06 0.00 -0.63 0.00 0.00 43.02 42.80 3dxa s PHE 56 CO 0.18 -0.96 0.68 -1.12 -0.05 0.00 0.00 175.22 173.95 3dxa s SER 57 N -2.91 5.15 0.33 1.98 0.01 -0.13 -4.92 113.70 113.21 3dxa s SER 57 Ca 0.13 -0.80 0.09 0.00 1.31 0.00 0.00 55.95 56.68 3dxa s SER 57 Cb -0.01 0.07 0.97 0.00 0.21 0.00 0.00 66.02 67.26 3dxa s SER 57 CO 0.01 -1.15 1.61 0.11 0.41 0.00 0.00 173.24 174.22 3dxa h LYS 58 N 0.39 0.10 -0.28 12.44 6.56 -2.03 0.20 116.57 133.95 3dxa h LYS 58 Ca -0.33 -0.01 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 32.92 3dxa h LYS 58 CO 0.45 0.07 0.00 -0.40 -2.06 0.00 0.00 179.45 177.50 3dxa n ASP 59 N -5.29 0.40 0.00 0.86 5.75 -1.26 -4.84 116.55 112.16 3dxa n ASP 59 Ca 0.28 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 3dxa n ASP 59 Cb 0.93 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.87 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 -0.31 0.00 -3.03 2.11 7.02 0.71 -5.00 117.44 118.94 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 0.09 -0.82 -0.05 0.00 -2.42 0.00 0.00 31.31 28.11 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 -2.01 7.14 0.60 -0.99 1.04 -1.24 -4.74 113.70 113.49 3dxa s SER 61 Ca 0.00 1.36 -0.14 0.00 0.48 0.00 0.00 55.95 57.65 3dxa s SER 61 Cb 0.00 -2.44 -0.04 0.00 0.10 0.00 0.00 66.02 63.64 3dxa s SER 61 CO 0.00 0.01 1.03 -0.36 0.98 0.00 0.00 173.24 174.90 3dxa s PHE 62 N 0.06 3.26 -0.19 5.02 0.40 -0.06 -0.95 117.98 125.51 3dxa s PHE 62 Ca 0.37 1.44 -0.13 0.00 -0.60 0.00 0.00 56.93 58.01 3dxa s PHE 62 Cb -0.20 -2.87 0.06 0.00 0.51 0.00 0.00 43.02 40.52 3dxa s PHE 62 CO 0.21 -0.85 0.48 1.52 0.70 0.00 0.00 175.22 177.28 3dxa s TYR 63 N -2.76 -0.64 0.18 0.36 -0.85 -0.97 -1.80 117.35 110.87 3dxa s TYR 63 Ca 0.59 1.41 0.06 0.00 -0.52 0.00 0.00 57.07 58.61 3dxa s TYR 63 Cb -0.13 0.28 -0.05 0.00 0.38 0.00 0.00 41.96 42.45 3dxa s TYR 63 CO 0.42 -0.33 -0.11 -0.51 -1.52 0.00 0.00 175.55 173.50 3dxa s LEU 64 N 0.96 2.52 -0.16 -3.49 1.43 -0.66 -3.74 118.68 115.53 3dxa s LEU 64 Ca -0.06 -1.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.01 3dxa s LEU 64 Cb -0.06 -0.49 0.03 0.00 0.03 0.00 0.00 46.19 45.71 3dxa s LEU 64 CO -0.08 -0.28 -0.10 -0.22 0.23 0.00 0.00 176.35 175.90 3dxa s LEU 65 N -3.25 1.80 -0.35 1.79 2.96 -1.26 -2.17 118.68 118.20 3dxa s LEU 65 Ca 0.20 -0.64 -0.12 0.00 -0.22 0.00 0.00 54.13 53.36 3dxa s LEU 65 Cb 0.01 -1.09 0.01 0.00 0.50 0.00 0.00 46.19 45.62 3dxa s LEU 65 CO 0.04 -0.12 0.21 -0.31 -1.32 0.00 0.00 176.35 174.85 3dxa s TYR 66 N 1.52 3.22 0.02 5.38 1.51 -0.92 -0.46 117.35 127.62 3dxa s TYR 66 Ca 0.02 -0.61 0.08 0.00 -1.01 0.00 0.00 57.07 55.55 3dxa s TYR 66 Cb -0.14 -2.45 -0.02 0.00 -0.11 0.00 0.00 41.96 39.23 3dxa s TYR 66 CO -0.09 -0.51 -0.24 1.52 -1.11 0.00 0.00 175.55 175.12 3dxa s TYR 67 N 1.63 2.13 0.00 2.71 -0.85 -0.07 -1.32 117.35 121.58 3dxa s TYR 67 Ca 0.04 -0.40 0.00 0.00 -0.52 0.00 0.00 57.07 56.19 3dxa s TYR 67 Cb -0.18 -1.31 0.00 0.00 0.38 0.00 0.00 41.96 40.85 3dxa s TYR 67 CO 0.08 0.06 0.00 -2.37 -1.52 0.00 0.00 175.55 171.80 3dxa n THR 68 N 2.04 0.00 -3.25 -3.49 5.66 -0.68 -2.81 114.28 111.73 3dxa n THR 68 Ca -0.17 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.83 3dxa n THR 68 Cb 0.52 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.27 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 0.02 0.50 0.26 1.09 0.41 -1.26 0.16 118.70 119.87 3dxa s GLU 69 Ca 0.00 0.89 -0.20 0.00 -0.41 0.00 0.00 54.97 55.26 3dxa s GLU 69 Cb 0.00 0.26 0.07 0.00 -1.78 0.00 0.00 34.13 32.67 3dxa s GLU 69 CO 0.00 -0.59 0.94 -0.59 -0.49 0.00 0.00 175.26 174.53 3dxa s PHE 70 N 2.76 0.09 -0.25 1.61 -0.71 -0.98 -4.97 117.98 115.52 3dxa s PHE 70 Ca 0.16 -0.60 0.03 0.00 -1.04 0.00 0.00 56.93 55.48 3dxa s PHE 70 Cb -0.15 0.76 0.06 0.00 -1.21 0.00 0.00 43.02 42.47 3dxa s PHE 70 CO -0.19 -1.17 -0.12 0.99 -1.34 0.00 0.00 175.22 173.39 3dxa s THR 71 N -2.21 2.17 -1.23 -4.49 2.01 -1.26 0.16 115.64 110.78 3dxa s THR 71 Ca 0.19 -1.59 -0.17 0.00 0.31 0.00 0.00 61.69 60.44 3dxa s THR 71 Cb -0.04 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 3dxa s THR 71 CO 0.08 0.01 2.12 -0.81 -0.69 0.00 0.00 174.62 175.33 3dxa n PRO 72 N 4.45 2.41 -2.65 4.92 -0.04 -1.26 -4.66 135.00 138.17 3dxa n PRO 72 Ca -0.14 -2.37 -0.35 0.00 -0.04 0.00 0.00 63.50 60.59 3dxa n PRO 72 Cb 0.43 -3.18 -0.05 0.00 -0.04 0.00 0.00 33.50 30.66 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 3.98 -0.99 0.52 -4.23 -1.26 -3.93 115.64 113.58 3dxa s THR 73 Ca 0.51 1.42 0.02 0.00 -1.18 0.00 0.00 61.69 62.45 3dxa s THR 73 Cb 0.14 -3.69 0.08 0.00 1.34 0.00 0.00 72.50 70.38 3dxa s THR 73 CO -0.02 -0.08 0.66 -0.62 -0.54 0.00 0.00 174.62 174.02 3dxa n GLU 74 N -0.24 1.39 -0.01 3.99 1.02 -1.26 -2.51 120.64 123.03 3dxa n GLU 74 Ca 0.06 -0.33 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 3dxa n GLU 74 Cb 0.51 -1.55 0.01 0.00 -0.02 0.00 0.00 31.44 30.39 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 0.04 1.86 -4.03 3.49 5.02 -1.26 -5.00 118.16 118.28 3dxa n LYS 75 Ca 0.03 -1.23 -0.25 0.00 -2.02 0.00 0.00 58.31 54.84 3dxa n LYS 75 Cb 0.33 -1.01 -0.17 0.00 -0.02 0.00 0.00 35.03 34.16 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 -0.72 1.80 0.52 4.39 1.11 -1.04 -5.13 116.67 117.59 3dxa s ASP 76 Ca 0.01 -0.23 -0.04 0.00 0.18 0.00 0.00 52.55 52.47 3dxa s ASP 76 Cb 0.00 -0.69 -0.01 0.00 1.07 0.00 0.00 42.92 43.30 3dxa s ASP 76 CO 0.01 -0.10 0.80 -1.61 1.18 0.00 0.00 175.17 175.44 3dxa s GLU 77 N 1.47 3.11 0.00 8.23 2.02 -1.26 -4.70 118.70 127.56 3dxa s GLU 77 Ca -0.01 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 54.86 3dxa s GLU 77 Cb -0.13 -2.39 0.00 0.00 0.10 0.00 0.00 34.13 31.70 3dxa s GLU 77 CO -0.04 -0.44 0.00 0.66 0.02 0.00 0.00 175.26 175.45 3dxa n TYR 78 N -2.34 0.00 0.00 1.61 4.02 -1.26 -2.98 117.16 116.21 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 0.64 -0.70 -0.72 0.00 -1.25 -3.65 120.51 111.84 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 1.08 -0.10 0.00 3.52 -0.13 -0.85 118.95 122.39 3dxa s ARG 81 Ca 0.41 -0.52 0.03 0.00 -0.13 0.00 0.00 55.73 55.52 3dxa s ARG 81 Cb -0.57 -2.08 -0.01 0.00 -1.56 0.00 0.00 34.95 30.73 3dxa s ARG 81 CO 0.27 -0.54 -0.20 0.08 -0.81 0.00 0.00 175.30 174.10 3dxa s VAL 82 N 1.71 2.48 -0.04 7.11 1.01 -0.42 -1.84 120.40 130.41 3dxa s VAL 82 Ca -0.01 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.15 3dxa s VAL 82 Cb -0.16 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 3dxa s VAL 82 CO -0.07 0.55 -0.22 0.21 0.00 0.00 0.00 175.10 175.57 3dxa s ASN 83 N 0.12 2.68 0.14 3.32 2.47 -0.56 -1.71 114.94 121.40 3dxa s ASN 83 Ca -0.10 -0.43 0.01 0.00 0.42 0.00 0.00 52.86 52.76 3dxa s ASN 83 Cb -0.16 -0.59 -0.04 0.00 -1.45 0.00 0.00 41.25 39.01 3dxa s ASN 83 CO 0.06 0.23 0.00 -2.28 -3.72 0.00 0.00 177.10 171.39 3dxa s HIS 84 N -0.24 1.04 0.50 0.43 5.65 -1.26 -1.48 115.29 119.93 3dxa s HIS 84 Ca 0.01 -1.05 0.19 0.00 0.25 0.00 0.00 55.06 54.46 3dxa s HIS 84 Cb -0.11 -0.60 1.25 0.00 -1.18 0.00 0.00 32.58 31.94 3dxa s HIS 84 CO 0.02 -0.28 2.03 -0.24 -0.65 0.00 0.00 174.74 175.62 3dxa h VAL 85 N 2.81 0.86 0.13 0.89 3.04 -1.95 -2.57 116.25 119.46 3dxa h VAL 85 Ca -0.36 -0.04 -0.30 0.00 -1.01 0.00 0.00 66.70 64.99 3dxa h VAL 85 Cb 1.19 0.72 0.03 0.00 -2.01 0.00 0.00 31.29 31.22 3dxa h VAL 85 CO 0.62 0.02 -1.26 0.74 -1.01 0.00 0.00 177.57 176.69 3dxa h THR 86 N 0.13 1.28 -3.03 3.17 2.02 -1.93 -3.44 112.91 111.11 3dxa h THR 86 Ca 0.19 -2.47 -0.55 0.00 0.77 0.00 0.00 66.41 64.35 3dxa h THR 86 Cb 0.59 2.71 -0.02 0.00 -1.74 0.00 0.00 68.15 69.69 3dxa h THR 86 CO -0.02 0.75 0.76 -0.76 0.37 0.00 0.00 175.52 176.61 3dxa s LEU 87 N -7.87 4.27 0.14 2.58 1.43 -0.97 -4.92 118.68 113.34 3dxa s LEU 87 Ca -0.09 1.83 0.26 0.00 -1.03 0.00 0.00 54.13 55.09 3dxa s LEU 87 Cb 0.05 -3.55 0.67 0.00 0.03 0.00 0.00 46.19 43.39 3dxa s LEU 87 CO 0.94 -0.63 1.60 -1.54 0.23 0.00 0.00 176.35 176.94 3dxa n SER 88 N 5.49 0.67 -3.70 2.29 3.41 -1.26 -4.47 113.62 116.05 3dxa n SER 88 Ca 0.12 0.35 -0.11 0.00 -0.26 0.00 0.00 58.87 58.97 3dxa n SER 88 Cb 0.46 -0.35 -0.11 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.40 0.01 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 -0.00 -0.18 0.00 1.10 0.00 0.00 33.01 34.06 3dxa s GLN 89 CO 0.64 -0.15 1.26 -2.30 -0.55 0.00 0.00 175.29 174.19 3dxa n PRO 90 N 4.15 0.63 -3.00 1.67 -0.02 -1.26 -4.92 135.00 132.25 3dxa n PRO 90 Ca -0.23 0.23 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 3dxa n PRO 90 Cb 0.55 -1.81 -0.05 0.00 -0.02 0.00 0.00 33.50 32.17 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 0.52 4.21 -0.27 -0.52 2.20 -0.69 -4.93 119.74 120.25 3dxa s LYS 91 Ca 0.89 0.79 -0.04 0.00 -0.36 0.00 0.00 55.97 57.25 3dxa s LYS 91 Cb -1.11 -3.60 0.02 0.00 -1.51 0.00 0.00 37.83 31.63 3dxa s LYS 91 CO 0.53 -0.35 0.00 0.42 -0.36 0.00 0.00 175.35 175.59 3dxa s ILE 92 N 2.27 3.37 -0.23 5.43 1.01 -1.26 -1.30 121.20 130.49 3dxa s ILE 92 Ca 0.32 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 60.05 3dxa s ILE 92 Cb -0.16 -2.73 0.00 0.00 0.01 0.00 0.00 42.46 39.58 3dxa s ILE 92 CO 0.10 0.14 -0.03 -0.69 0.00 0.00 0.00 174.94 174.45 3dxa s VAL 93 N 1.40 3.33 0.57 2.92 1.01 -0.03 -5.01 120.40 124.60 3dxa s VAL 93 Ca 0.01 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.20 3dxa s VAL 93 Cb -0.17 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 3dxa s VAL 93 CO -0.01 0.34 1.06 -0.54 0.00 0.00 0.00 175.10 175.95 3dxa s LYS 94 N 1.45 3.41 0.08 2.72 1.02 -1.26 -2.93 119.74 124.23 3dxa s LYS 94 Ca 0.04 1.25 -0.13 0.00 0.02 0.00 0.00 55.97 57.16 3dxa s LYS 94 Cb -0.15 -2.04 -0.06 0.00 -0.52 0.00 0.00 37.83 35.06 3dxa s LYS 94 CO -0.03 -0.74 0.45 -0.46 -0.92 0.00 0.00 175.35 173.65 3dxa s TRP 95 N -2.34 3.63 -0.13 3.18 -0.00 -1.24 -4.85 118.94 117.20 3dxa s TRP 95 Ca 0.65 0.93 -0.05 0.00 -0.00 0.00 0.00 56.10 57.63 3dxa s TRP 95 Cb -0.16 -2.26 0.06 0.00 -0.00 0.00 0.00 33.47 31.11 3dxa s TRP 95 CO 0.33 0.53 0.25 0.34 -0.00 0.00 0.00 176.95 178.40 3dxa s ASP 96 N -1.56 0.39 0.00 5.86 -1.08 -1.26 -4.79 116.67 114.23 3dxa s ASP 96 Ca 0.32 0.57 0.18 0.00 -0.52 0.00 0.00 52.55 53.11 3dxa s ASP 96 Cb -0.15 0.67 0.82 0.00 -1.46 0.00 0.00 42.92 42.79 3dxa s ASP 96 CO 0.17 -0.24 1.58 -2.11 0.52 0.00 0.00 175.17 175.09 3dxa n ARG 97 N 5.35 0.07 0.23 4.34 1.85 -1.26 -1.38 116.66 125.85 3dxa n ARG 97 Ca -0.06 0.17 0.14 0.00 -1.00 0.00 0.00 57.85 57.09 3dxa n ARG 97 Cb 0.50 -1.50 0.33 0.00 -1.05 0.00 0.00 32.46 30.74 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 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3dxa h ASP 98 CO 0.00 0.00 0.00 0.23 -1.72 0.00 0.00 179.24 177.75