#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dsb n LEU 16 N 0.00 0.84 -4.22 -1.84 4.77 -1.26 -4.85 117.00 110.44 3dsb n LEU 16 Ca 0.00 0.14 -0.30 0.00 -0.03 0.00 0.00 56.01 55.83 3dsb n LEU 16 Cb 0.00 -0.34 -0.16 0.00 -2.33 0.00 0.00 43.42 40.58 3dsb n LEU 16 CO 0.00 0.19 -0.54 -0.63 -1.33 0.00 0.00 177.39 175.08 3dsb s ILE 17 N -2.22 1.83 0.20 -0.08 1.01 -1.26 -0.23 121.20 120.46 3dsb s ILE 17 Ca -0.16 -0.94 -0.18 0.00 0.00 0.00 0.00 60.65 59.38 3dsb s ILE 17 Cb 0.06 -1.56 0.03 0.00 0.01 0.00 0.00 42.46 40.99 3dsb s ILE 17 CO 0.20 0.51 0.54 -1.83 0.00 0.00 0.00 174.94 174.36 3dsb s GLU 18 N -0.04 1.40 -0.12 2.79 -1.05 -0.94 -5.00 118.70 115.74 3dsb s GLU 18 Ca -0.05 -0.87 -0.01 0.00 -0.15 0.00 0.00 54.97 53.88 3dsb s GLU 18 Cb -0.13 0.53 -0.03 0.00 -0.44 0.00 0.00 34.13 34.06 3dsb s GLU 18 CO 0.04 -0.60 -0.06 0.42 0.95 0.00 0.00 175.26 176.00 3dsb s ILE 19 N -3.88 3.68 0.08 1.83 1.01 -1.26 -0.73 121.20 121.94 3dsb s ILE 19 Ca 0.09 -0.45 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 3dsb s ILE 19 Cb -0.01 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 3dsb s ILE 19 CO -0.02 0.54 0.05 0.00 0.00 0.00 0.00 174.94 175.51 3dsb s ARG 20 N -0.06 0.74 0.57 2.79 1.70 -0.68 -4.98 118.95 119.02 3dsb s ARG 20 Ca 0.01 -1.18 -0.20 0.00 -0.47 0.00 0.00 55.73 53.89 3dsb s ARG 20 Cb -0.13 0.26 -0.04 0.00 -0.57 0.00 0.00 34.95 34.46 3dsb s ARG 20 CO 0.03 -0.18 1.25 -1.83 -1.08 0.00 0.00 175.30 173.48 3dsb s GLU 21 N -3.92 3.06 0.74 3.89 -1.05 -1.26 -0.78 118.70 119.37 3dsb s GLU 21 Ca 0.09 1.95 -0.14 0.00 -0.15 0.00 0.00 54.97 56.72 3dsb s GLU 21 Cb 0.07 -2.05 0.04 0.00 -0.44 0.00 0.00 34.13 31.75 3dsb s GLU 21 CO -0.08 -1.17 1.16 0.00 0.95 0.00 0.00 175.26 176.12 3dsb s ALA 22 N -1.49 2.14 0.00 -0.84 0.00 -0.44 -4.74 121.76 116.39 3dsb s ALA 22 Ca 0.75 0.71 0.00 0.00 0.00 0.00 0.00 51.96 53.42 3dsb s ALA 22 Cb -0.33 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.37 3dsb s ALA 22 CO 0.37 -1.83 0.00 0.54 0.00 0.00 0.00 175.76 174.84 3dsb n ARG 23 N -2.90 0.00 0.00 0.00 1.74 -1.26 -5.00 116.66 109.24 3dsb n ARG 23 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 3dsb n ARG 23 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.95 3dsb n ARG 23 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3dsb n ASP 25 N 0.00 0.00 0.00 0.55 5.68 -1.26 -4.13 116.55 117.39 3dsb n ASP 25 Ca 0.00 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.43 3dsb n ASP 25 Cb 0.00 0.00 0.81 0.00 -1.14 0.00 0.00 41.12 40.79 3dsb n ASP 25 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3dsb n ASP 26 N 0.00 0.00 -0.18 -1.12 8.00 -1.26 -4.45 116.55 117.54 3dsb n ASP 26 Ca 0.00 -0.57 -0.11 0.00 0.71 0.00 0.00 54.79 54.82 3dsb n ASP 26 Cb 0.00 -0.13 -0.07 0.00 -0.02 0.00 0.00 41.12 40.90 3dsb n ASP 26 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3dsb h LEU 27 N 0.00 -1.70 -0.74 0.64 5.85 -1.99 -0.35 115.31 117.02 3dsb h LEU 27 Ca 0.00 0.25 -0.13 0.00 0.84 0.00 0.00 57.88 58.84 3dsb h LEU 27 Cb 0.12 0.73 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 3dsb h LEU 27 CO 0.00 -0.36 -0.61 0.44 -0.34 0.00 0.00 178.44 177.57 3dsb h ASP 28 N -0.30 0.08 -0.29 1.25 3.32 -1.98 -1.11 116.42 117.39 3dsb h ASP 28 Ca 0.13 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 3dsb h ASP 28 Cb 0.57 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 3dsb h ASP 28 CO -0.66 0.67 -0.03 0.74 -1.72 0.00 0.00 179.24 178.24 3dsb h THR 29 N 0.05 1.27 -0.54 0.35 2.02 -1.74 -0.71 112.91 113.60 3dsb h THR 29 Ca -0.01 -1.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.10 3dsb h THR 29 Cb 1.09 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 3dsb h THR 29 CO 0.08 0.32 0.06 0.40 0.37 0.00 0.00 175.52 176.75 3dsb h ILE 30 N 0.32 1.24 -0.38 3.11 2.04 -0.88 -0.05 117.51 122.91 3dsb h ILE 30 Ca 0.08 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 3dsb h ILE 30 Cb 0.48 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3dsb h ILE 30 CO 0.02 0.35 0.09 0.00 0.00 0.00 0.00 178.15 178.62 3dsb h ALA 31 N 1.23 0.51 -0.32 1.87 0.00 -1.13 -0.38 119.26 121.04 3dsb h ALA 31 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dsb h ALA 31 Cb 0.41 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3dsb h ALA 31 CO 0.01 0.18 0.21 -0.22 0.00 0.00 0.00 179.25 179.43 3dsb h LYS 32 N 0.48 0.41 -0.88 0.00 3.64 -0.72 -0.40 116.57 119.10 3dsb h LYS 32 Ca 0.12 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3dsb h LYS 32 Cb 0.31 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 3dsb h LYS 32 CO 0.00 0.27 0.52 0.74 -2.27 0.00 0.00 179.45 178.72 3dsb h PHE 33 N 0.43 1.17 -0.35 1.91 0.04 -0.81 -0.70 116.94 118.62 3dsb h PHE 33 Ca 0.12 -0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.76 3dsb h PHE 33 Cb -0.05 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 37.71 3dsb h PHE 33 CO -0.06 0.78 -0.26 -0.91 -0.60 0.00 0.00 178.31 177.27 3dsb h ASN 34 N 1.22 0.74 -0.14 2.17 2.35 -0.47 0.10 115.58 121.54 3dsb h ASN 34 Ca 0.32 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3dsb h ASN 34 Cb -0.04 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 3dsb h ASN 34 CO -0.06 0.97 0.09 0.22 -1.65 0.00 0.00 177.43 177.00 3dsb h TYR 35 N 0.62 0.18 -0.83 1.19 3.20 -0.77 -1.39 116.97 119.18 3dsb h TYR 35 Ca 0.08 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 3dsb h TYR 35 Cb 0.77 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.94 3dsb h TYR 35 CO 0.04 0.12 0.39 -0.91 -1.64 0.00 0.00 178.16 176.15 3dsb h ASN 36 N 0.19 1.10 -0.23 -2.11 2.35 -0.83 -2.12 115.58 113.93 3dsb h ASN 36 Ca 0.05 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3dsb h ASN 36 Cb -0.02 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 3dsb h ASN 36 CO -0.01 0.93 0.11 0.25 -1.65 0.00 0.00 177.43 177.06 3dsb h LEU 37 N 1.19 0.30 -1.13 1.61 5.85 -0.56 -0.05 115.31 122.52 3dsb h LEU 37 Ca 0.28 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 3dsb h LEU 37 Cb 0.13 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3dsb h LEU 37 CO -0.03 0.34 -0.13 0.00 -0.34 0.00 0.00 178.44 178.28 3dsb h ALA 38 N 0.97 1.27 0.06 1.25 0.00 -1.03 -0.68 119.26 121.10 3dsb h ALA 38 Ca 0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3dsb h ALA 38 Cb 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3dsb h ALA 38 CO -0.01 0.48 -0.03 -0.22 0.00 0.00 0.00 179.25 179.47 3dsb h LYS 39 N 0.43 -0.08 -0.75 0.00 1.63 -1.07 0.15 116.57 116.88 3dsb h LYS 39 Ca 0.08 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.85 3dsb h LYS 39 Cb 0.48 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.10 3dsb h LYS 39 CO 0.03 0.45 0.32 0.93 -3.45 0.00 0.00 179.45 177.73 3dsb h GLU 40 N -0.67 1.11 0.00 1.90 5.08 -0.85 -3.05 114.58 118.09 3dsb h GLU 40 Ca -0.01 -0.19 -0.38 0.00 -1.00 0.00 0.00 59.36 57.79 3dsb h GLU 40 Cb 0.57 -0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.56 3dsb h GLU 40 CO 0.01 0.89 -2.41 0.25 -1.00 0.00 0.00 179.01 176.76 3dsb n THR 41 N -4.35 1.44 0.02 1.13 -2.24 -0.28 -4.68 114.28 105.33 3dsb n THR 41 Ca 0.06 -0.75 0.01 0.00 -2.27 0.00 0.00 64.05 61.10 3dsb n THR 41 Cb 0.17 -0.84 0.01 0.00 -2.10 0.00 0.00 70.33 67.57 3dsb n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dsb n GLU 42 N -2.95 0.77 -0.08 -0.78 1.02 -0.00 -5.00 120.64 113.61 3dsb n GLU 42 Ca -0.37 -0.99 0.00 0.00 -0.02 0.00 0.00 57.16 55.78 3dsb n GLU 42 Cb 1.09 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 31.49 3dsb n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dsb n GLY 43 N -0.12 2.66 3.77 0.62 0.00 -0.96 -4.97 105.19 106.18 3dsb n GLY 43 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3dsb n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dsb s LYS 44 N -0.06 4.67 -0.51 1.61 1.02 -0.94 -4.84 119.74 120.70 3dsb s LYS 44 Ca 0.00 1.37 -0.08 0.00 0.02 0.00 0.00 55.97 57.28 3dsb s LYS 44 Cb 0.00 -2.98 0.13 0.00 -0.52 0.00 0.00 37.83 34.47 3dsb s LYS 44 CO 0.00 0.37 0.38 -1.21 -0.92 0.00 0.00 175.35 173.97 3dsb s GLU 45 N -1.73 2.53 0.42 1.68 2.02 -1.26 -2.50 118.70 119.86 3dsb s GLU 45 Ca 0.47 -1.91 -0.25 0.00 0.02 0.00 0.00 54.97 53.30 3dsb s GLU 45 Cb -0.21 -3.92 -0.08 0.00 0.10 0.00 0.00 34.13 30.02 3dsb s GLU 45 CO 0.27 -1.19 1.26 -0.51 0.02 0.00 0.00 175.26 175.10 3dsb s LEU 46 N 1.10 4.16 0.00 1.80 1.43 -1.26 -5.11 118.68 120.79 3dsb s LEU 46 Ca 0.08 2.55 -0.05 0.00 -1.03 0.00 0.00 54.13 55.68 3dsb s LEU 46 Cb -0.24 -4.00 0.08 0.00 0.03 0.00 0.00 46.19 42.06 3dsb s LEU 46 CO -0.02 -0.87 0.22 -0.67 0.23 0.00 0.00 176.35 175.24 3dsb n ASP 47 N -0.04 -1.82 0.00 2.29 -0.08 -1.26 -4.97 116.55 110.67 3dsb n ASP 47 Ca 0.05 -0.44 0.00 0.00 -1.51 0.00 0.00 54.79 52.89 3dsb n ASP 47 Cb 0.45 -0.22 0.00 0.00 2.34 0.00 0.00 41.12 43.69 3dsb n ASP 47 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 3dsb n ASP 49 N -3.51 0.00 0.01 1.67 2.03 -1.26 -1.21 116.55 114.28 3dsb n ASP 49 Ca 0.03 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.22 3dsb n ASP 49 Cb 0.13 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.46 3dsb n ASP 49 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3dsb h VAL 50 N 0.00 1.09 -0.47 5.18 2.07 -1.99 -1.16 116.25 120.97 3dsb h VAL 50 Ca 0.00 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 3dsb h VAL 50 Cb 0.00 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3dsb h VAL 50 CO 0.00 0.07 0.19 0.25 0.02 0.00 0.00 177.57 178.10 3dsb h LEU 51 N -0.04 0.64 -0.56 2.57 5.85 -1.54 0.30 115.31 122.54 3dsb h LEU 51 Ca 0.01 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 3dsb h LEU 51 Cb 0.10 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3dsb h LEU 51 CO -0.00 0.63 0.12 0.74 -0.34 0.00 0.00 178.44 179.59 3dsb h THR 52 N 0.61 1.25 -0.70 1.05 2.02 -1.78 0.68 112.91 116.04 3dsb h THR 52 Ca 0.16 -0.91 0.07 0.00 0.77 0.00 0.00 66.41 66.50 3dsb h THR 52 Cb 0.19 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 67.29 3dsb h THR 52 CO -0.01 0.33 0.38 0.11 0.37 0.00 0.00 175.52 176.70 3dsb h LYS 53 N 0.81 0.65 -0.49 6.66 1.57 -0.98 -0.42 116.57 124.37 3dsb h LYS 53 Ca 0.17 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 3dsb h LYS 53 Cb 0.36 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3dsb h LYS 53 CO 0.00 0.43 -0.15 0.78 -0.57 0.00 0.00 179.45 179.94 3dsb h GLY 54 N 0.67 1.03 0.92 3.86 0.00 0.02 0.18 103.07 109.75 3dsb h GLY 54 Ca 0.33 -0.85 -0.09 0.00 0.00 0.00 0.00 47.33 46.72 3dsb h GLY 54 CO -0.22 0.78 -0.15 -2.08 0.00 0.00 0.00 176.54 174.87 3dsb h VAL 55 N 0.84 1.29 -0.67 4.60 2.07 -0.74 -2.58 116.25 121.07 3dsb h VAL 55 Ca 0.12 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.41 3dsb h VAL 55 Cb 0.71 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 3dsb h VAL 55 CO 0.05 0.40 0.42 0.50 0.02 0.00 0.00 177.57 178.97 3dsb h LYS 56 N 0.39 0.82 -0.81 1.57 3.64 -0.87 -0.01 116.57 121.29 3dsb h LYS 56 Ca 0.07 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3dsb h LYS 56 Cb 0.67 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 3dsb h LYS 56 CO 0.04 0.54 0.44 0.00 -2.27 0.00 0.00 179.45 178.21 3dsb h ALA 57 N 1.27 1.04 -0.33 5.00 0.00 -0.87 -0.25 119.26 125.13 3dsb h ALA 57 Ca 0.26 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3dsb h ALA 57 Cb -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3dsb h ALA 57 CO -0.09 0.56 -0.05 1.25 0.00 0.00 0.00 179.25 180.92 3dsb h LEU 58 N 1.13 0.61 -1.41 0.00 5.85 -1.01 -2.61 115.31 117.87 3dsb h LEU 58 Ca 0.29 -0.35 0.07 0.00 0.84 0.00 0.00 57.88 58.73 3dsb h LEU 58 Cb 0.04 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 3dsb h LEU 58 CO -0.04 0.82 0.47 -0.07 -0.34 0.00 0.00 178.44 179.27 3dsb h LEU 59 N 0.40 0.62 -0.08 2.25 3.38 -0.44 -2.05 115.31 119.39 3dsb h LEU 59 Ca 0.09 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3dsb h LEU 59 Cb 0.53 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3dsb h LEU 59 CO 0.03 0.39 -0.07 0.18 0.09 0.00 0.00 178.44 179.06 3dsb n LEU 60 N -4.48 0.20 -3.49 1.67 4.77 -0.16 -4.63 117.00 110.88 3dsb n LEU 60 Ca 0.11 0.20 -0.29 0.00 -0.03 0.00 0.00 56.01 56.00 3dsb n LEU 60 Cb 0.26 -0.28 -0.13 0.00 -2.33 0.00 0.00 43.42 40.94 3dsb n LEU 60 CO 0.33 0.04 -0.32 -0.62 -1.33 0.00 0.00 177.39 175.49 3dsb s ASP 61 N -2.63 3.15 0.67 -1.43 -1.08 -0.77 -4.99 116.67 109.60 3dsb s ASP 61 Ca 0.25 -1.85 0.36 0.00 -0.52 0.00 0.00 52.55 50.80 3dsb s ASP 61 Cb 0.20 -0.36 1.98 0.00 -1.46 0.00 0.00 42.92 43.28 3dsb s ASP 61 CO 0.49 -0.36 2.12 1.05 0.52 0.00 0.00 175.17 179.00 3dsb h GLU 62 N 7.53 0.00 0.00 4.34 4.11 -1.78 0.37 114.58 129.15 3dsb h GLU 62 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 3dsb h GLU 62 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3dsb h GLU 62 CO 0.33 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.41 3dsb h ARG 63 N 0.00 0.00 0.00 1.06 2.47 -1.94 -3.03 114.38 112.94 3dsb h ARG 63 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3dsb h ARG 63 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 3dsb h ARG 63 CO -0.00 0.00 -0.01 0.87 0.56 0.00 0.00 179.97 181.39 3dsb h LYS 64 N 0.00 0.00 0.00 0.04 1.57 -1.24 -3.44 116.57 113.49 3dsb h LYS 64 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dsb h LYS 64 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 3dsb h LYS 64 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 3dsb n GLY 65 N 1.13 0.79 3.20 3.86 0.00 -1.15 -4.29 105.19 108.72 3dsb n GLY 65 Ca 0.04 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 3dsb n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dsb s LYS 66 N -1.99 0.41 -0.07 1.61 -0.14 -0.12 -4.47 119.74 114.97 3dsb s LYS 66 Ca 0.00 0.29 -0.09 0.00 -1.36 0.00 0.00 55.97 54.81 3dsb s LYS 66 Cb 0.00 0.19 -0.05 0.00 -1.68 0.00 0.00 37.83 36.30 3dsb s LYS 66 CO 0.00 -0.07 0.24 0.71 -0.76 0.00 0.00 175.35 175.47 3dsb s TYR 67 N -0.14 3.63 0.07 3.18 2.02 -1.26 -1.74 117.35 123.12 3dsb s TYR 67 Ca -0.03 0.67 0.09 0.00 -0.37 0.00 0.00 57.07 57.43 3dsb s TYR 67 Cb -0.03 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.45 3dsb s TYR 67 CO 0.01 0.69 -0.22 -1.01 -1.57 0.00 0.00 175.55 173.45 3dsb s HIS 68 N -1.09 2.44 0.08 2.71 3.76 -0.26 -1.33 115.29 121.61 3dsb s HIS 68 Ca 0.19 -0.32 0.08 0.00 -0.15 0.00 0.00 55.06 54.86 3dsb s HIS 68 Cb -0.14 -1.38 -0.03 0.00 1.11 0.00 0.00 32.58 32.14 3dsb s HIS 68 CO 0.09 0.26 -0.22 0.14 -0.85 0.00 0.00 174.74 174.16 3dsb s VAL 69 N -0.96 1.81 -0.21 -0.90 -7.23 0.04 -0.87 120.40 112.08 3dsb s VAL 69 Ca 0.14 -1.45 -0.11 0.00 -1.81 0.00 0.00 61.98 58.75 3dsb s VAL 69 Cb -0.10 -1.61 -0.05 0.00 0.56 0.00 0.00 36.38 35.18 3dsb s VAL 69 CO 0.05 0.08 0.16 -0.47 -0.31 0.00 0.00 175.10 174.62 3dsb s TYR 70 N -1.00 3.38 0.06 2.82 5.04 -0.42 -1.69 117.35 125.54 3dsb s TYR 70 Ca 0.08 0.32 0.08 0.00 -2.44 0.00 0.00 57.07 55.11 3dsb s TYR 70 Cb -0.10 -2.23 -0.03 0.00 0.35 0.00 0.00 41.96 39.96 3dsb s TYR 70 CO 0.04 0.19 -0.22 0.95 -1.34 0.00 0.00 175.55 175.16 3dsb s THR 71 N 0.67 1.79 -0.20 4.34 -4.23 0.09 -1.00 115.64 117.11 3dsb s THR 71 Ca 0.09 -1.34 -0.00 0.00 -1.18 0.00 0.00 61.69 59.26 3dsb s THR 71 Cb -0.12 -1.57 0.05 0.00 1.34 0.00 0.00 72.50 72.20 3dsb s THR 71 CO 0.01 0.17 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.53 3dsb s VAL 72 N -0.89 1.24 -1.56 2.29 1.01 -0.11 -2.22 120.40 120.17 3dsb s VAL 72 Ca 0.08 -0.90 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 3dsb s VAL 72 Cb -0.09 -1.50 0.07 0.00 0.00 0.00 0.00 36.38 34.86 3dsb s VAL 72 CO 0.03 -0.02 0.55 0.49 0.00 0.00 0.00 175.10 176.15 3dsb n PHE 73 N 4.80 -1.66 -0.38 5.22 3.72 0.68 -1.49 117.46 128.35 3dsb n PHE 73 Ca -0.12 0.76 0.00 0.00 -0.05 0.00 0.00 57.45 58.04 3dsb n PHE 73 Cb 0.46 -3.29 0.00 0.00 -0.94 0.00 0.00 39.48 35.71 3dsb n PHE 73 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3dsb n ASP 74 N -2.83 0.00 -4.71 4.37 8.00 -1.26 -5.00 116.55 115.12 3dsb n ASP 74 Ca -0.14 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 54.96 3dsb n ASP 74 Cb 0.60 -0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.57 3dsb n ASP 74 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3dsb s LYS 75 N -0.02 4.45 -0.21 -1.24 2.20 -0.56 -4.99 119.74 119.37 3dsb s LYS 75 Ca 0.00 1.02 -0.29 0.00 -0.36 0.00 0.00 55.97 56.34 3dsb s LYS 75 Cb 0.00 -3.47 -0.00 0.00 -1.51 0.00 0.00 37.83 32.85 3dsb s LYS 75 CO 0.00 -0.01 1.20 0.08 -0.36 0.00 0.00 175.35 176.26 3dsb s VAL 76 N 1.03 4.37 0.00 4.02 1.01 -1.26 -0.93 120.40 128.63 3dsb s VAL 76 Ca 0.41 1.64 0.00 0.00 0.00 0.00 0.00 61.98 64.03 3dsb s VAL 76 Cb -0.18 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.08 3dsb s VAL 76 CO 0.20 -0.22 0.32 1.33 0.00 0.00 0.00 175.10 176.73 3dsb n VAL 77 N 5.52 0.00 -3.65 2.92 0.24 -0.17 -5.00 118.33 118.19 3dsb n VAL 77 Ca 0.13 -0.44 -0.08 0.00 -2.04 0.00 0.00 64.34 61.91 3dsb n VAL 77 Cb 0.45 1.09 -0.02 0.00 -1.47 0.00 0.00 33.84 33.90 3dsb n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dsb s ALA 78 N -0.23 -1.49 0.04 2.33 0.00 -1.20 -0.47 121.76 120.74 3dsb s ALA 78 Ca 0.00 0.19 -0.10 0.00 0.00 0.00 0.00 51.96 52.05 3dsb s ALA 78 Cb 0.00 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.91 3dsb s ALA 78 CO 0.00 -0.90 0.21 1.14 0.00 0.00 0.00 175.76 176.20 3dsb s GLN 79 N -3.68 0.72 0.15 0.00 1.03 -0.02 -1.29 119.66 116.56 3dsb s GLN 79 Ca 0.07 -0.64 0.03 0.00 0.04 0.00 0.00 55.36 54.86 3dsb s GLN 79 Cb -0.03 0.30 -0.01 0.00 0.03 0.00 0.00 33.01 33.30 3dsb s GLN 79 CO -0.03 -0.21 0.11 1.51 -2.54 0.00 0.00 175.29 174.13 3dsb n ILE 80 N 0.61 0.00 0.00 3.63 3.06 -0.05 -1.36 119.36 125.24 3dsb n ILE 80 Ca -0.18 -1.06 0.00 0.00 -2.50 0.00 0.00 62.75 59.01 3dsb n ILE 80 Cb 0.59 0.51 0.00 0.00 0.54 0.00 0.00 39.64 41.28 3dsb n ILE 80 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3dsb n TYR 82 N -0.29 0.00 -4.03 9.51 0.18 -0.71 -1.10 117.16 120.71 3dsb n TYR 82 Ca 0.02 0.00 -0.27 0.00 1.88 0.00 0.00 57.90 59.53 3dsb n TYR 82 Cb 0.26 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.20 3dsb n TYR 82 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 3dsb s THR 83 N -2.00 1.65 0.06 -3.48 -4.23 -0.24 -0.95 115.64 106.45 3dsb s THR 83 Ca 0.00 -1.58 0.08 0.00 -1.18 0.00 0.00 61.69 59.01 3dsb s THR 83 Cb 0.00 -2.23 -0.03 0.00 1.34 0.00 0.00 72.50 71.58 3dsb s THR 83 CO 0.00 0.00 -0.20 -0.31 -0.54 0.00 0.00 174.62 173.57 3dsb s TYR 84 N -2.77 2.50 -0.20 3.99 2.02 -1.26 -0.97 117.35 120.66 3dsb s TYR 84 Ca 0.30 -0.29 0.01 0.00 -0.37 0.00 0.00 57.07 56.72 3dsb s TYR 84 Cb -0.01 -1.42 0.04 0.00 -0.40 0.00 0.00 41.96 40.17 3dsb s TYR 84 CO 0.19 0.25 -0.09 -2.00 -1.57 0.00 0.00 175.55 172.32 3dsb s GLU 85 N -1.53 1.93 0.08 -0.62 2.12 -0.14 -4.95 118.70 115.60 3dsb s GLU 85 Ca 0.14 -0.83 -0.31 0.00 0.36 0.00 0.00 54.97 54.34 3dsb s GLU 85 Cb -0.10 -2.39 -0.07 0.00 0.26 0.00 0.00 34.13 31.82 3dsb s GLU 85 CO 0.05 -0.44 1.39 -0.46 -0.54 0.00 0.00 175.26 175.26 3dsb s TRP 86 N 1.42 3.13 -0.41 5.30 -0.11 -1.26 -0.72 118.94 126.29 3dsb s TRP 86 Ca -0.02 0.92 -0.13 0.00 1.22 0.00 0.00 56.10 58.10 3dsb s TRP 86 Cb -0.16 -3.67 0.04 0.00 -1.50 0.00 0.00 33.47 28.18 3dsb s TRP 86 CO -0.08 -2.36 0.28 0.45 -4.62 0.00 0.00 176.95 170.61 3dsb s SER 87 N 1.34 5.93 0.19 5.86 0.15 0.72 -4.94 113.70 122.95 3dsb s SER 87 Ca 0.64 -1.06 -0.09 0.00 0.70 0.00 0.00 55.95 56.13 3dsb s SER 87 Cb -0.35 -2.09 0.11 0.00 -1.71 0.00 0.00 66.02 61.97 3dsb s SER 87 CO 0.29 -0.47 1.72 -2.24 1.20 0.00 0.00 173.24 173.75 3dsb h ASP 88 N 8.55 1.00 -0.27 5.45 3.04 -1.95 0.15 116.42 132.40 3dsb h ASP 88 Ca -0.26 -0.21 -0.01 0.00 -3.24 0.00 0.00 57.03 53.30 3dsb h ASP 88 Cb 1.11 -0.26 -0.02 0.00 -1.04 0.00 0.00 39.33 39.12 3dsb h ASP 88 CO 0.73 0.95 0.13 -0.50 -2.04 0.00 0.00 179.24 178.51 3dsb h TRP 89 N 1.00 0.43 -0.01 4.15 4.06 -1.95 -2.98 115.95 120.65 3dsb h TRP 89 Ca 0.22 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.16 3dsb h TRP 89 Cb 0.31 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 28.33 3dsb h TRP 89 CO 0.02 0.34 -0.29 0.54 -3.56 0.00 0.00 178.44 175.49 3dsb n ARG 90 N -4.41 1.61 -3.60 0.49 1.74 -1.16 -5.01 116.66 106.31 3dsb n ARG 90 Ca 0.02 -0.94 -0.22 0.00 -0.77 0.00 0.00 57.85 55.94 3dsb n ARG 90 Cb 0.13 -1.30 0.05 0.00 -1.02 0.00 0.00 32.46 30.32 3dsb n ARG 90 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3dsb n ASN 91 N 0.06 -2.78 -3.88 0.55 5.15 0.01 -4.97 115.26 109.41 3dsb n ASN 91 Ca 0.07 -0.82 0.04 0.00 -0.60 0.00 0.00 54.58 53.27 3dsb n ASN 91 Cb 0.36 -4.21 0.01 0.00 -0.53 0.00 0.00 39.78 35.41 3dsb n ASN 91 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3dsb s GLY 92 N -4.06 -0.21 -0.06 8.20 0.00 -1.05 -4.91 107.32 105.23 3dsb s GLY 92 Ca 0.15 0.20 -0.08 0.00 0.00 0.00 0.00 44.72 44.99 3dsb s GLY 92 CO 0.80 5.43 0.23 -1.31 0.00 0.00 0.00 173.10 178.25 3dsb s ASN 93 N -3.76 6.50 0.15 1.64 0.01 -0.47 -0.20 114.94 118.80 3dsb s ASN 93 Ca 0.29 0.59 -0.23 0.00 -0.71 0.00 0.00 52.86 52.80 3dsb s ASN 93 Cb 0.01 -2.11 -0.08 0.00 0.41 0.00 0.00 41.25 39.48 3dsb s ASN 93 CO -0.02 0.35 0.71 -0.36 -1.51 0.00 0.00 177.10 176.27 3dsb s PHE 94 N -1.11 3.86 -0.10 2.20 0.08 0.10 -0.11 117.98 122.90 3dsb s PHE 94 Ca 0.20 1.51 -0.16 0.00 0.12 0.00 0.00 56.93 58.60 3dsb s PHE 94 Cb -0.13 -2.68 -0.05 0.00 -0.57 0.00 0.00 43.02 39.59 3dsb s PHE 94 CO 0.09 0.52 0.40 -0.51 -0.10 0.00 0.00 175.22 175.62 3dsb s LEU 95 N -1.22 4.33 -0.32 -0.37 1.02 -0.45 -0.97 118.68 120.70 3dsb s LEU 95 Ca 0.35 0.76 -0.04 0.00 0.02 0.00 0.00 54.13 55.22 3dsb s LEU 95 Cb -0.21 -2.56 0.05 0.00 0.02 0.00 0.00 46.19 43.48 3dsb s LEU 95 CO 0.24 0.13 0.05 0.26 0.02 0.00 0.00 176.35 177.05 3dsb s TRP 96 N 0.07 3.28 -0.16 0.29 0.52 -0.15 -0.32 118.94 122.47 3dsb s TRP 96 Ca 0.22 -1.73 -0.29 0.00 0.02 0.00 0.00 56.10 54.32 3dsb s TRP 96 Cb -0.15 -2.24 -0.01 0.00 -1.15 0.00 0.00 33.47 29.92 3dsb s TRP 96 CO 0.09 -0.79 1.14 0.42 0.02 0.00 0.00 176.95 177.84 3dsb s ILE 97 N 1.30 4.49 -0.10 2.03 1.01 0.03 -1.08 121.20 128.89 3dsb s ILE 97 Ca -0.03 1.79 0.16 0.00 0.00 0.00 0.00 60.65 62.57 3dsb s ILE 97 Cb -0.20 -4.15 -0.24 0.00 0.01 0.00 0.00 42.46 37.88 3dsb s ILE 97 CO 0.00 -0.11 0.22 0.00 0.00 0.00 0.00 174.94 175.05 3dsb n GLN 98 N 6.07 0.93 -3.50 2.79 1.13 -1.26 -4.56 117.38 118.97 3dsb n GLN 98 Ca 0.12 -0.08 -0.17 0.00 -1.94 0.00 0.00 57.00 54.93 3dsb n GLN 98 Cb 0.46 -1.42 -0.05 0.00 0.11 0.00 0.00 30.24 29.33 3dsb n GLN 98 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3dsb s SER 99 N -4.56 -0.64 -0.09 1.08 1.04 -1.26 -5.07 113.70 104.20 3dsb s SER 99 Ca -0.07 0.58 -0.07 0.00 0.48 0.00 0.00 55.95 56.87 3dsb s SER 99 Cb 0.08 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.78 3dsb s SER 99 CO 0.71 -0.68 0.23 0.54 0.98 0.00 0.00 173.24 175.02 3dsb s VAL 100 N -1.67 -0.01 -0.08 5.02 0.11 -1.26 -4.33 120.40 118.17 3dsb s VAL 100 Ca -0.09 0.05 -0.07 0.00 -2.93 0.00 0.00 61.98 58.94 3dsb s VAL 100 Cb -0.00 -0.33 0.02 0.00 -1.53 0.00 0.00 36.38 34.54 3dsb s VAL 100 CO 0.06 0.02 0.22 -0.47 -3.33 0.00 0.00 175.10 171.59 3dsb s TYR 101 N 0.47 -0.24 -0.11 1.54 5.04 -0.47 -4.99 117.35 118.59 3dsb s TYR 101 Ca -0.03 0.60 0.03 0.00 -2.44 0.00 0.00 57.07 55.22 3dsb s TYR 101 Cb -0.04 0.07 0.01 0.00 0.35 0.00 0.00 41.96 42.35 3dsb s TYR 101 CO -0.02 -0.13 -0.19 0.08 -1.34 0.00 0.00 175.55 173.95 3dsb s VAL 102 N 0.25 1.76 0.19 3.14 1.01 -1.26 -0.84 120.40 124.65 3dsb s VAL 102 Ca -0.01 -0.82 -0.32 0.00 0.00 0.00 0.00 61.98 60.82 3dsb s VAL 102 Cb -0.03 -1.56 -0.15 0.00 0.00 0.00 0.00 36.38 34.64 3dsb s VAL 102 CO -0.01 0.49 1.19 -0.67 0.00 0.00 0.00 175.10 176.10 3dsb n ASP 103 N 3.90 1.54 -0.12 3.32 -0.08 0.37 -4.85 116.55 120.63 3dsb n ASP 103 Ca -0.20 1.14 0.16 0.00 -1.51 0.00 0.00 54.79 54.39 3dsb n ASP 103 Cb 0.52 -1.25 0.55 0.00 2.34 0.00 0.00 41.12 43.28 3dsb n ASP 103 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3dsb h LYS 104 N 3.38 0.31 0.00 -0.67 1.57 -1.99 0.39 116.57 119.56 3dsb h LYS 104 Ca -0.43 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3dsb h LYS 104 Cb 1.33 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3dsb h LYS 104 CO 0.70 0.20 0.00 0.39 -0.57 0.00 0.00 179.45 180.17 3dsb n GLU 105 N -4.45 0.17 -0.08 3.15 1.02 -1.26 -3.21 120.64 115.97 3dsb n GLU 105 Ca 0.13 0.41 0.07 0.00 -0.02 0.00 0.00 57.16 57.74 3dsb n GLU 105 Cb 0.54 -1.82 0.11 0.00 -0.02 0.00 0.00 31.44 30.24 3dsb n GLU 105 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3dsb n TYR 106 N -2.14 0.09 -1.85 -0.32 4.01 0.12 -5.06 117.16 112.01 3dsb n TYR 106 Ca 0.02 -0.83 -0.30 0.00 -0.16 0.00 0.00 57.90 56.63 3dsb n TYR 106 Cb 0.22 -0.13 0.05 0.00 -0.31 0.00 0.00 39.34 39.17 3dsb n TYR 106 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3dsb s ARG 107 N -2.28 2.74 -1.51 -0.72 0.52 -1.18 -4.13 118.95 112.39 3dsb s ARG 107 Ca 0.23 0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.91 3dsb s ARG 107 Cb 0.20 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.66 3dsb s ARG 107 CO 0.03 -1.12 0.00 0.54 0.02 0.00 0.00 175.30 174.77 3dsb n ARG 108 N -3.06 -1.22 0.00 3.54 1.74 -1.26 -4.86 116.66 111.53 3dsb n ARG 108 Ca 0.07 0.89 0.00 0.00 -0.77 0.00 0.00 57.85 58.04 3dsb n ARG 108 Cb 0.57 -5.21 0.00 0.00 -1.02 0.00 0.00 32.46 26.81 3dsb n ARG 108 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3dsb n LYS 109 N -2.54 2.08 -0.47 5.56 4.76 -1.26 -5.01 118.16 121.28 3dsb n LYS 109 Ca -0.18 -1.22 0.00 0.00 -2.87 0.00 0.00 58.31 54.05 3dsb n LYS 109 Cb 0.60 -0.91 0.00 0.00 -1.84 0.00 0.00 35.03 32.88 3dsb n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dsb n GLY 110 N -0.36 0.75 0.29 0.72 0.00 -1.26 -4.97 105.19 100.36 3dsb n GLY 110 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3dsb n GLY 110 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3dsb h ILE 111 N 0.00 1.26 -0.37 -0.61 2.04 -1.95 -0.04 117.51 117.84 3dsb h ILE 111 Ca 0.00 -1.07 0.08 0.00 1.00 0.00 0.00 64.86 64.87 3dsb h ILE 111 Cb 0.00 0.82 -0.08 0.00 -0.74 0.00 0.00 36.82 36.82 3dsb h ILE 111 CO 0.00 0.39 -0.17 0.15 0.00 0.00 0.00 178.15 178.52 3dsb h PHE 112 N 0.88 -0.42 -0.36 1.37 3.57 -1.95 0.51 116.94 120.55 3dsb h PHE 112 Ca 0.17 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.56 3dsb h PHE 112 Cb 0.49 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 3dsb h PHE 112 CO 0.04 -0.25 -0.36 -0.91 -2.23 0.00 0.00 178.31 174.60 3dsb h ASN 113 N -0.10 0.89 -0.70 0.41 2.35 -1.89 -1.54 115.58 115.00 3dsb h ASN 113 Ca 0.18 -0.39 0.10 0.00 -0.55 0.00 0.00 56.30 55.64 3dsb h ASN 113 Cb 0.39 -0.25 -0.07 0.00 0.05 0.00 0.00 38.32 38.43 3dsb h ASN 113 CO -0.44 1.16 0.33 1.88 -1.65 0.00 0.00 177.43 178.71 3dsb h TYR 114 N 0.70 0.58 -0.30 1.19 0.05 -0.30 0.11 116.97 119.01 3dsb h TYR 114 Ca 0.06 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.82 3dsb h TYR 114 Cb 0.93 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.50 3dsb h TYR 114 CO 0.05 0.19 -0.02 -0.07 -1.05 0.00 0.00 178.16 177.26 3dsb h LEU 115 N 0.55 0.53 -0.87 3.88 3.38 -0.62 -0.55 115.31 121.61 3dsb h LEU 115 Ca 0.35 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3dsb h LEU 115 Cb 0.40 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3dsb h LEU 115 CO -0.29 0.73 0.08 -0.26 0.09 0.00 0.00 178.44 178.78 3dsb h PHE 116 N 0.32 0.97 -0.03 1.13 -1.00 -0.99 -2.09 116.94 115.24 3dsb h PHE 116 Ca 0.08 -0.12 -0.13 0.00 2.81 0.00 0.00 57.97 60.61 3dsb h PHE 116 Cb 0.47 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 39.74 3dsb h PHE 116 CO 0.04 0.84 -0.56 -0.91 -1.61 0.00 0.00 178.31 176.10 3dsb h ASN 117 N 0.87 0.10 -0.60 2.17 2.35 -0.67 -0.23 115.58 119.56 3dsb h ASN 117 Ca 0.18 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 3dsb h ASN 117 Cb 0.41 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.72 3dsb h ASN 117 CO 0.01 0.64 0.26 0.22 -1.65 0.00 0.00 177.43 176.91 3dsb h TYR 118 N 0.07 0.89 -0.46 1.19 3.20 -0.63 -1.15 116.97 120.09 3dsb h TYR 118 Ca -0.00 -0.06 -0.13 0.00 3.14 0.00 0.00 58.73 61.68 3dsb h TYR 118 Cb 1.02 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 3dsb h TYR 118 CO 0.01 0.70 -0.23 0.82 -1.64 0.00 0.00 178.16 177.82 3dsb h ILE 119 N 0.82 1.27 -0.72 1.81 1.08 -1.00 -1.77 117.51 119.00 3dsb h ILE 119 Ca 0.20 -1.39 0.08 0.00 -0.39 0.00 0.00 64.86 63.36 3dsb h ILE 119 Cb 0.17 1.18 -0.06 0.00 -3.07 0.00 0.00 36.82 35.03 3dsb h ILE 119 CO -0.02 0.48 0.39 0.11 -0.69 0.00 0.00 178.15 178.42 3dsb h LYS 120 N 0.81 0.67 -0.38 2.37 1.57 -0.82 -0.87 116.57 119.92 3dsb h LYS 120 Ca 0.10 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3dsb h LYS 120 Cb 0.80 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 3dsb h LYS 120 CO 0.07 0.44 0.15 -0.97 -0.57 0.00 0.00 179.45 178.57 3dsb h ASN 121 N 0.69 0.53 -0.63 0.86 -0.73 -1.07 -0.37 115.58 114.87 3dsb h ASN 121 Ca 0.34 -0.18 0.12 0.00 1.87 0.00 0.00 56.30 58.45 3dsb h ASN 121 Cb 0.28 -0.14 -0.09 0.00 0.27 0.00 0.00 38.32 38.63 3dsb h ASN 121 CO -0.22 0.56 0.13 0.40 -0.37 0.00 0.00 177.43 177.93 3dsb h ILE 122 N 0.47 0.60 -0.41 2.57 2.04 -0.67 -1.16 117.51 120.96 3dsb h ILE 122 Ca 0.13 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 3dsb h ILE 122 Cb 0.20 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 3dsb h ILE 122 CO -0.01 0.05 0.18 0.00 0.00 0.00 0.00 178.15 178.36 3dsb h ASP 124 N 0.51 0.41 -0.49 0.00 3.32 -0.49 -2.90 116.42 116.77 3dsb h ASP 124 Ca 0.14 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3dsb h ASP 124 Cb 0.16 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3dsb h ASP 124 CO -0.01 0.58 0.00 0.29 -1.72 0.00 0.00 179.24 178.38 3dsb n LYS 125 N -4.20 2.14 -3.72 3.56 4.76 -0.49 -4.69 118.16 115.51 3dsb n LYS 125 Ca 0.00 -1.77 -0.29 0.00 -2.87 0.00 0.00 58.31 53.38 3dsb n LYS 125 Cb 0.32 -1.38 -0.15 0.00 -1.84 0.00 0.00 35.03 31.98 3dsb n LYS 125 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3dsb s ASP 126 N -1.00 3.73 0.00 4.39 -1.08 -1.10 -4.97 116.67 116.64 3dsb s ASP 126 Ca 0.33 -1.40 0.09 0.00 -0.52 0.00 0.00 52.55 51.05 3dsb s ASP 126 Cb 0.17 -0.76 0.46 0.00 -1.46 0.00 0.00 42.92 41.33 3dsb s ASP 126 CO 0.22 -0.39 1.16 -1.84 0.52 0.00 0.00 175.17 174.85 3dsb n GLU 127 N 4.93 0.14 0.00 4.34 0.28 -1.26 -1.13 120.64 127.93 3dsb n GLU 127 Ca -0.04 0.19 0.15 0.00 -0.16 0.00 0.00 57.16 57.29 3dsb n GLU 127 Cb 0.43 -1.50 0.66 0.00 1.43 0.00 0.00 31.44 32.46 3dsb n GLU 127 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 3dsb n ASN 128 N -1.27 0.83 -4.43 -1.84 5.15 -1.26 -4.70 115.26 107.74 3dsb n ASN 128 Ca 0.04 -1.15 -0.35 0.00 -0.60 0.00 0.00 54.58 52.53 3dsb n ASN 128 Cb 0.07 -0.01 -0.13 0.00 -0.53 0.00 0.00 39.78 39.19 3dsb n ASN 128 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3dsb s ILE 129 N -2.11 3.83 -1.46 -1.44 1.01 -0.29 -1.37 121.20 119.37 3dsb s ILE 129 Ca 0.39 -0.36 0.13 0.00 0.00 0.00 0.00 60.65 60.81 3dsb s ILE 129 Cb 0.21 -2.72 0.07 0.00 0.01 0.00 0.00 42.46 40.02 3dsb s ILE 129 CO 0.38 0.44 0.85 1.33 0.00 0.00 0.00 174.94 177.94 3dsb n VAL 130 N 4.21 0.00 -2.08 2.92 0.24 0.85 -4.88 118.33 119.59 3dsb n VAL 130 Ca -0.17 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 3dsb n VAL 130 Cb 0.52 1.23 0.00 0.00 -1.47 0.00 0.00 33.84 34.12 3dsb n VAL 130 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dsb n GLY 131 N 0.81 1.00 0.00 7.63 0.00 -1.23 -4.95 105.19 108.45 3dsb n GLY 131 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3dsb n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dsb n ARG 133 N 0.00 0.00 -3.66 1.61 1.74 0.56 -1.34 116.66 115.57 3dsb n ARG 133 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 3dsb n ARG 133 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 3dsb n ARG 133 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 3dsb s LEU 134 N 0.00 0.20 0.04 0.55 0.05 -1.26 -0.79 118.68 117.46 3dsb s LEU 134 Ca 0.00 -0.36 0.09 0.00 0.05 0.00 0.00 54.13 53.90 3dsb s LEU 134 Cb 0.00 2.01 -0.03 0.00 -2.05 0.00 0.00 46.19 46.12 3dsb s LEU 134 CO 0.00 -0.94 -0.25 -0.72 -0.55 0.00 0.00 176.35 173.89 3dsb s TYR 135 N -3.83 2.17 0.01 3.48 -0.85 -1.26 -5.03 117.35 112.04 3dsb s TYR 135 Ca 0.06 -0.40 -0.03 0.00 -0.52 0.00 0.00 57.07 56.17 3dsb s TYR 135 Cb 0.01 -1.31 -0.01 0.00 0.38 0.00 0.00 41.96 41.03 3dsb s TYR 135 CO -0.08 0.10 0.05 0.54 -1.52 0.00 0.00 175.55 174.64 3dsb s VAL 136 N -0.78 0.09 0.28 -3.49 0.11 -1.26 -5.05 120.40 110.30 3dsb s VAL 136 Ca 0.10 -0.76 -0.30 0.00 -2.93 0.00 0.00 61.98 58.09 3dsb s VAL 136 Cb -0.10 -0.33 -0.13 0.00 -1.53 0.00 0.00 36.38 34.30 3dsb s VAL 136 CO 0.02 -0.42 1.41 -0.62 -3.33 0.00 0.00 175.10 172.16 3dsb n GLU 137 N 1.61 2.18 0.25 1.54 1.02 -1.26 -4.88 120.64 121.10 3dsb n GLU 137 Ca -0.23 0.77 0.12 0.00 -0.02 0.00 0.00 57.16 57.80 3dsb n GLU 137 Cb 0.55 -2.43 0.73 0.00 -0.02 0.00 0.00 31.44 30.28 3dsb n GLU 137 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3dsb h LYS 138 N 3.82 0.00 0.00 3.49 1.57 -2.05 -2.31 116.57 121.08 3dsb h LYS 138 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3dsb h LYS 138 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3dsb h LYS 138 CO 0.72 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.99 3dsb n GLU 139 N -4.29 0.66 -2.68 3.15 4.71 -1.26 -4.69 120.64 116.24 3dsb n GLU 139 Ca -0.02 0.02 -0.42 0.00 -0.01 0.00 0.00 57.16 56.73 3dsb n GLU 139 Cb 0.15 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.04 3dsb n GLU 139 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 3dsb s ASN 140 N -2.15 6.34 0.25 1.62 3.84 -0.87 -4.87 114.94 119.10 3dsb s ASN 140 Ca 0.33 -0.22 -0.05 0.00 0.21 0.00 0.00 52.86 53.14 3dsb s ASN 140 Cb 0.17 -2.51 0.28 0.00 -0.55 0.00 0.00 41.25 38.64 3dsb s ASN 140 CO 0.31 -1.47 1.82 0.40 -2.79 0.00 0.00 177.10 175.37 3dsb h ILE 141 N 6.08 1.24 -0.00 -5.21 1.08 -1.90 -3.09 117.51 115.71 3dsb h ILE 141 Ca -0.26 -0.76 0.00 0.00 -0.39 0.00 0.00 64.86 63.45 3dsb h ILE 141 Cb 1.06 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 35.20 3dsb h ILE 141 CO 1.17 0.31 -0.29 0.59 -0.69 0.00 0.00 178.15 179.24 3dsb n ASN 142 N -4.29 0.58 -0.06 1.72 5.03 -1.26 -4.39 115.26 112.59 3dsb n ASN 142 Ca 0.06 -0.41 -0.12 0.00 0.87 0.00 0.00 54.58 54.99 3dsb n ASN 142 Cb 0.18 0.06 -0.06 0.00 -1.02 0.00 0.00 39.78 38.94 3dsb n ASN 142 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3dsb h ALA 143 N 3.32 0.23 -0.35 5.41 0.00 -1.94 -2.17 119.26 123.77 3dsb h ALA 143 Ca 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.78 3dsb h ALA 143 Cb 0.47 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 3dsb h ALA 143 CO 0.00 -0.06 -0.11 -0.22 0.00 0.00 0.00 179.25 178.86 3dsb h LYS 144 N 0.05 -0.03 -0.39 0.00 3.64 -1.80 -0.29 116.57 117.75 3dsb h LYS 144 Ca 0.05 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3dsb h LYS 144 Cb 0.38 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3dsb h LYS 144 CO 0.01 -0.02 0.12 0.00 -2.27 0.00 0.00 179.45 177.29 3dsb h ALA 145 N 1.30 0.52 -0.29 5.00 0.00 -1.83 0.57 119.26 124.53 3dsb h ALA 145 Ca 0.17 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3dsb h ALA 145 Cb 0.29 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3dsb h ALA 145 CO -0.38 0.16 0.00 1.15 0.00 0.00 0.00 179.25 180.19 3dsb h THR 146 N 0.49 0.79 -0.13 0.00 2.02 -1.03 -1.78 112.91 113.28 3dsb h THR 146 Ca 0.13 -0.03 -0.21 0.00 0.77 0.00 0.00 66.41 67.07 3dsb h THR 146 Cb 0.26 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 3dsb h THR 146 CO -0.00 0.02 -0.75 1.88 0.37 0.00 0.00 175.52 177.03 3dsb h TYR 147 N 0.09 0.85 -0.69 3.16 0.05 -0.95 -3.10 116.97 116.37 3dsb h TYR 147 Ca 0.14 -0.37 0.15 0.00 0.05 0.00 0.00 58.73 58.70 3dsb h TYR 147 Cb 0.18 -0.13 -0.11 0.00 1.01 0.00 0.00 36.73 37.68 3dsb h TYR 147 CO -0.21 1.17 0.09 0.93 -1.05 0.00 0.00 178.16 179.08 3dsb h GLU 148 N 0.43 0.18 -0.62 4.88 3.07 -0.76 0.14 114.58 121.91 3dsb h GLU 148 Ca -0.04 -0.01 0.18 0.00 -0.50 0.00 0.00 59.36 58.99 3dsb h GLU 148 Cb 1.35 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 29.20 3dsb h GLU 148 CO 0.14 0.12 0.45 0.77 -1.40 0.00 0.00 179.01 179.10 3dsb h SER 149 N 0.19 0.00 -0.65 1.42 0.02 -1.25 -1.13 113.55 112.15 3dsb h SER 149 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 3dsb h SER 149 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3dsb h SER 149 CO -0.54 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.33 3dsb n LEU 150 N -4.32 4.20 -2.66 5.07 4.77 0.00 -5.13 117.00 118.94 3dsb n LEU 150 Ca 0.12 -2.11 -0.01 0.00 -0.03 0.00 0.00 56.01 53.98 3dsb n LEU 150 Cb 0.70 -0.52 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3dsb n LEU 150 CO 0.37 0.83 -0.50 0.59 -1.33 0.00 0.00 177.39 177.36 3dsb n ASN 151 N 1.26 -7.07 0.00 -1.43 4.13 -0.43 -5.08 115.26 106.63 3dsb n ASN 151 Ca 0.24 1.38 0.00 0.00 1.68 0.00 0.00 54.58 57.88 3dsb n ASN 151 Cb 0.74 -5.19 0.00 0.00 -1.54 0.00 0.00 39.78 33.80 3dsb n ASN 151 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3dsb n TYR 153 N 0.78 0.00 -2.12 3.10 4.01 -1.26 -5.01 117.16 116.66 3dsb n TYR 153 Ca -0.04 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.29 3dsb n TYR 153 Cb 0.06 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.07 3dsb n TYR 153 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3dsb s GLU 154 N -2.00 4.34 0.66 -0.72 2.12 -1.26 -5.01 118.70 116.82 3dsb s GLU 154 Ca 0.00 2.17 -0.04 0.00 0.36 0.00 0.00 54.97 57.47 3dsb s GLU 154 Cb 0.00 -3.14 0.05 0.00 0.26 0.00 0.00 34.13 31.31 3dsb s GLU 154 CO 0.00 -0.29 0.94 0.00 -0.54 0.00 0.00 175.26 175.37 3dsb n ASP 156 N -2.74 6.89 -4.21 0.00 2.03 -1.26 -4.97 116.55 112.28 3dsb n ASP 156 Ca 0.08 -3.81 -0.21 0.00 0.52 0.00 0.00 54.79 51.37 3dsb n ASP 156 Cb 0.60 -0.91 -0.12 0.00 -0.72 0.00 0.00 41.12 39.97 3dsb n ASP 156 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3dsb s TYR 157 N -3.93 1.46 0.00 -0.67 2.02 -1.26 -5.31 117.35 109.66 3dsb s TYR 157 Ca 0.52 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.80 3dsb s TYR 157 Cb 0.44 -0.82 0.00 0.00 -0.40 0.00 0.00 41.96 41.18 3dsb s TYR 157 CO -0.32 0.11 0.00 0.09 -1.57 0.00 0.00 175.55 173.86 3dsb n ASN 158 N 1.34 0.19 -3.60 2.29 3.02 -1.26 -5.24 115.26 111.99 3dsb n ASN 158 Ca -0.20 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.29 3dsb n ASN 158 Cb 0.54 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.67 3dsb n ASN 158 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3dsb s TYR 160 N 2.39 -0.21 -0.01 3.10 2.02 -1.26 -5.28 117.35 118.10 3dsb s TYR 160 Ca 0.00 0.32 -0.08 0.00 -0.37 0.00 0.00 57.07 56.94 3dsb s TYR 160 Cb 0.00 0.48 0.01 0.00 -0.40 0.00 0.00 41.96 42.05 3dsb s TYR 160 CO 0.00 -0.22 0.16 -1.83 -1.57 0.00 0.00 175.55 172.09 3dsb s GLU 161 N -1.39 0.46 -0.17 -0.62 -1.05 -1.26 -5.13 118.70 109.53 3dsb s GLU 161 Ca 0.04 -0.28 -0.06 0.00 -0.15 0.00 0.00 54.97 54.53 3dsb s GLU 161 Cb -0.01 0.19 -0.03 0.00 -0.44 0.00 0.00 34.13 33.84 3dsb s GLU 161 CO -0.03 -0.11 0.02 -0.47 0.95 0.00 0.00 175.26 175.62 3dsb s TYR 162 N -1.14 3.15 -0.35 4.83 5.04 -1.26 -5.08 117.35 122.54 3dsb s TYR 162 Ca -0.12 -0.10 -0.24 0.00 -2.44 0.00 0.00 57.07 54.16 3dsb s TYR 162 Cb -0.06 -2.04 0.01 0.00 0.35 0.00 0.00 41.96 40.22 3dsb s TYR 162 CO 0.02 0.05 0.85 -1.21 -1.34 0.00 0.00 175.55 173.92 3dsb s GLU 163 N 0.43 3.85 0.10 4.97 0.41 -1.26 -5.00 118.70 122.19 3dsb s GLU 163 Ca 0.00 0.51 -0.21 0.00 -0.41 0.00 0.00 54.97 54.86 3dsb s GLU 163 Cb -0.13 -3.78 -0.07 0.00 -1.78 0.00 0.00 34.13 28.36 3dsb s GLU 163 CO 0.01 -0.84 0.62 0.14 -0.49 0.00 0.00 175.26 174.70 3dsb s VAL 164 N 3.22 4.64 -0.01 2.63 -7.23 -1.26 -5.07 120.40 117.32 3dsb s VAL 164 Ca 0.35 1.34 0.04 0.00 -1.81 0.00 0.00 61.98 61.89 3dsb s VAL 164 Cb -0.13 -3.96 -0.01 0.00 0.56 0.00 0.00 36.38 32.85 3dsb s VAL 164 CO 0.16 0.54 -0.12 -0.51 -0.31 0.00 0.00 175.10 174.86 3dsb s ILE 165 N -1.13 0.92 -1.47 -0.62 2.07 -1.26 -5.34 121.20 114.37 3dsb s ILE 165 Ca 0.31 -0.50 0.12 0.00 -1.41 0.00 0.00 60.65 59.17 3dsb s ILE 165 Cb -0.20 -0.77 0.09 0.00 0.13 0.00 0.00 42.46 41.71 3dsb s ILE 165 CO 0.21 0.26 0.87 1.41 -1.91 0.00 0.00 174.94 175.78