#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fub s GLY 33 N 0.00 2.49 -0.02 5.14 0.00 -1.26 -5.07 107.32 108.60 3fub s GLY 33 Ca 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 44.72 41.40 3fub s GLY 33 CO 0.00 1.02 0.02 1.62 0.00 0.00 0.00 173.10 175.76 3fub s GLN 34 N -0.37 0.05 0.06 2.90 0.74 -1.26 -5.15 119.66 116.62 3fub s GLN 34 Ca 0.18 0.15 -0.03 0.00 0.05 0.00 0.00 55.36 55.70 3fub s GLN 34 Cb -0.24 -0.29 -0.03 0.00 1.10 0.00 0.00 33.01 33.55 3fub s GLN 34 CO -0.01 -0.15 0.04 1.03 -0.55 0.00 0.00 175.29 175.65 3fub s ARG 35 N 0.97 0.67 -0.33 1.67 0.52 -1.26 -5.13 118.95 116.06 3fub s ARG 35 Ca -0.08 -1.11 -0.28 0.00 -0.52 0.00 0.00 55.73 53.73 3fub s ARG 35 Cb -0.12 0.25 0.02 0.00 0.52 0.00 0.00 34.95 35.61 3fub s ARG 35 CO -0.02 -0.16 1.05 0.20 0.02 0.00 0.00 175.30 176.39 3fub s GLY 36 N -2.85 1.54 0.00 -3.53 0.00 -1.26 -4.83 107.32 96.40 3fub s GLY 36 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.64 3fub s GLY 36 CO -0.10 2.24 0.36 0.28 0.00 0.00 0.00 173.10 175.88 3fub n LYS 37 N 6.90 -0.67 -1.77 2.90 5.02 -1.26 -5.00 118.16 124.28 3fub n LYS 37 Ca 0.11 -0.36 -0.13 0.00 -2.02 0.00 0.00 58.31 55.91 3fub n LYS 37 Cb 0.47 -0.86 -0.03 0.00 -0.02 0.00 0.00 35.03 34.59 3fub n LYS 37 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fub n ASN 38 N -0.01 -4.34 0.00 4.39 3.02 -1.26 -4.91 115.26 112.15 3fub n ASN 38 Ca 0.00 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 3fub n ASN 38 Cb 0.07 -3.23 0.00 0.00 -0.61 0.00 0.00 39.78 36.00 3fub n ASN 38 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3fub n ARG 39 N -2.45 0.00 0.00 3.52 5.12 -1.26 -4.99 116.66 116.59 3fub n ARG 39 Ca -0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 3fub n ARG 39 Cb 0.51 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.81 3fub n ARG 39 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3fub n GLY 40 N 0.00 -1.62 3.30 -0.13 0.00 -1.22 -4.78 105.19 100.74 3fub n GLY 40 Ca 0.00 -2.05 -0.44 0.00 0.00 0.00 0.00 46.02 43.53 3fub n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fub s VAL 42 N -0.67 5.09 -0.03 0.00 -7.23 -1.12 -4.65 120.40 111.80 3fub s VAL 42 Ca 0.25 -0.39 -0.16 0.00 -1.81 0.00 0.00 61.98 59.87 3fub s VAL 42 Cb -0.10 -3.85 -0.05 0.00 0.56 0.00 0.00 36.38 32.93 3fub s VAL 42 CO -0.09 -0.54 0.42 -0.22 -0.31 0.00 0.00 175.10 174.37 3fub s LEU 43 N -4.24 4.43 0.03 1.32 2.96 -1.26 -2.48 118.68 119.43 3fub s LEU 43 Ca 0.41 0.92 0.02 0.00 -0.22 0.00 0.00 54.13 55.26 3fub s LEU 43 Cb -0.10 -2.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.96 3fub s LEU 43 CO 0.36 0.24 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.67 3fub s THR 44 N -0.65 0.49 -0.01 3.68 2.01 -0.20 -4.98 115.64 115.98 3fub s THR 44 Ca 0.24 -0.85 0.06 0.00 0.31 0.00 0.00 61.69 61.45 3fub s THR 44 Cb -0.16 -0.53 -0.01 0.00 0.01 0.00 0.00 72.50 71.81 3fub s THR 44 CO 0.12 -0.26 -0.19 0.00 -0.69 0.00 0.00 174.62 173.61 3fub s ALA 45 N -1.06 1.54 -0.07 7.40 0.00 -1.26 -0.47 121.76 127.84 3fub s ALA 45 Ca -0.07 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 51.03 3fub s ALA 45 Cb -0.08 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.68 3fub s ALA 45 CO 0.00 0.38 0.18 -1.50 0.00 0.00 0.00 175.76 174.82 3fub s ILE 46 N -0.45 -0.02 -0.23 0.00 2.07 -0.19 -5.00 121.20 117.38 3fub s ILE 46 Ca 0.07 0.06 -0.22 0.00 -1.41 0.00 0.00 60.65 59.15 3fub s ILE 46 Cb -0.07 -0.27 -0.01 0.00 0.13 0.00 0.00 42.46 42.24 3fub s ILE 46 CO -0.01 0.03 0.72 -2.28 -1.91 0.00 0.00 174.94 171.49 3fub s HIS 47 N 0.52 3.33 0.03 3.50 5.65 -1.26 -1.20 115.29 125.85 3fub s HIS 47 Ca -0.04 1.00 0.02 0.00 0.25 0.00 0.00 55.06 56.30 3fub s HIS 47 Cb -0.05 -2.93 -0.02 0.00 -1.18 0.00 0.00 32.58 28.40 3fub s HIS 47 CO -0.03 -0.31 -0.07 -0.51 -0.65 0.00 0.00 174.74 173.17 3fub s LEU 48 N 2.47 2.21 0.59 8.88 1.43 0.46 -5.00 118.68 129.72 3fub s LEU 48 Ca 0.31 -0.46 -0.18 0.00 -1.03 0.00 0.00 54.13 52.77 3fub s LEU 48 Cb -0.16 -0.15 -0.03 0.00 0.03 0.00 0.00 46.19 45.88 3fub s LEU 48 CO 0.09 -0.17 1.17 0.20 0.23 0.00 0.00 176.35 177.88 3fub s ASN 49 N -1.30 5.28 0.41 2.29 0.01 -1.26 0.03 114.94 120.40 3fub s ASN 49 Ca -0.08 2.29 0.16 0.00 -0.71 0.00 0.00 52.86 54.51 3fub s ASN 49 Cb -0.09 -2.59 0.89 0.00 0.41 0.00 0.00 41.25 39.88 3fub s ASN 49 CO 0.00 -1.52 1.89 0.58 -1.51 0.00 0.00 177.10 176.54 3fub h VAL 50 N 0.83 1.11 0.00 1.60 2.07 -1.48 -2.79 116.25 117.58 3fub h VAL 50 Ca -0.50 -1.03 -0.09 0.00 0.82 0.00 0.00 66.70 65.90 3fub h VAL 50 Cb 1.28 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 3fub h VAL 50 CO 0.55 0.29 -0.42 0.71 0.02 0.00 0.00 177.57 178.72 3fub h THR 51 N 0.00 1.14 0.00 2.57 1.35 -1.81 -2.71 112.91 113.45 3fub h THR 51 Ca -0.00 -1.52 -0.01 0.00 -0.55 0.00 0.00 66.41 64.33 3fub h THR 51 Cb 0.55 1.86 -0.00 0.00 -1.73 0.00 0.00 68.15 68.83 3fub h THR 51 CO 0.04 0.41 -0.04 0.44 -0.25 0.00 0.00 175.52 176.12 3fub h ASP 52 N 0.00 0.00 0.77 5.36 3.32 -1.88 -2.36 116.42 121.63 3fub h ASP 52 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fub h ASP 52 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 3fub h ASP 52 CO 0.05 0.04 0.00 0.18 -1.72 0.00 0.00 179.24 177.79 3fub n LEU 53 N -3.84 0.72 -2.83 1.55 4.77 -1.02 -4.90 117.00 111.45 3fub n LEU 53 Ca -0.03 0.67 -0.22 0.00 -0.03 0.00 0.00 56.01 56.41 3fub n LEU 53 Cb 0.12 -0.57 0.02 0.00 -2.33 0.00 0.00 43.42 40.66 3fub n LEU 53 CO 0.29 -0.57 -0.09 0.61 -1.33 0.00 0.00 177.39 176.29 3fub n GLY 54 N 0.04 -0.51 1.21 -0.72 0.00 -0.89 -4.88 105.19 99.44 3fub n GLY 54 Ca 0.02 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3fub n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fub n LEU 55 N -3.65 3.58 0.00 0.99 4.77 -1.26 -4.93 117.00 116.49 3fub n LEU 55 Ca -0.15 -1.65 0.00 0.00 -0.03 0.00 0.00 56.01 54.18 3fub n LEU 55 Cb 0.64 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3fub n LEU 55 CO 0.41 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.90 3fub n GLY 56 N 1.56 1.17 3.50 -0.72 0.00 -1.26 -5.08 105.19 104.36 3fub n GLY 56 Ca 0.21 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 3fub n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fub s TYR 57 N -2.00 2.98 -0.44 1.61 2.02 -1.26 -5.08 117.35 115.18 3fub s TYR 57 Ca 0.00 -0.27 -0.14 0.00 -0.37 0.00 0.00 57.07 56.29 3fub s TYR 57 Cb 0.00 -1.88 0.05 0.00 -0.40 0.00 0.00 41.96 39.73 3fub s TYR 57 CO 0.00 0.03 0.34 -1.21 -1.57 0.00 0.00 175.55 173.14 3fub s GLU 58 N 0.08 2.92 0.27 -0.62 2.02 -1.26 -4.57 118.70 117.55 3fub s GLU 58 Ca -0.01 -1.25 -0.21 0.00 0.02 0.00 0.00 54.97 53.52 3fub s GLU 58 Cb -0.14 -4.02 0.04 0.00 0.10 0.00 0.00 34.13 30.12 3fub s GLU 58 CO 0.03 -0.91 0.80 -0.08 0.02 0.00 0.00 175.26 175.12 3fub s THR 59 N 1.62 0.00 -0.78 3.63 -1.32 -1.26 -1.84 115.64 115.69 3fub s THR 59 Ca 0.04 -0.91 0.06 0.00 -1.21 0.00 0.00 61.69 59.67 3fub s THR 59 Cb -0.22 -2.26 0.05 0.00 -1.51 0.00 0.00 72.50 68.56 3fub s THR 59 CO 0.07 0.00 0.68 0.29 -2.21 0.00 0.00 174.62 173.45 3fub n LYS 60 N -0.49 0.16 -1.67 7.08 4.76 -1.26 -4.69 118.16 122.05 3fub n LYS 60 Ca -0.05 -0.84 -0.32 0.00 -2.87 0.00 0.00 58.31 54.23 3fub n LYS 60 Cb 0.60 -1.11 0.05 0.00 -1.84 0.00 0.00 35.03 32.73 3fub n LYS 60 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3fub s GLU 61 N -0.59 2.89 0.45 1.97 2.02 -1.26 -4.89 118.70 119.30 3fub s GLU 61 Ca 0.07 1.12 0.03 0.00 0.02 0.00 0.00 54.97 56.21 3fub s GLU 61 Cb 0.05 -1.98 -0.02 0.00 0.10 0.00 0.00 34.13 32.28 3fub s GLU 61 CO 0.09 -1.14 0.08 -1.21 0.02 0.00 0.00 175.26 173.09 3fub s GLU 62 N -4.63 2.04 0.16 1.61 2.02 -1.26 -1.24 118.70 117.40 3fub s GLU 62 Ca 0.61 -2.27 -0.23 0.00 0.02 0.00 0.00 54.97 53.11 3fub s GLU 62 Cb -0.16 -0.99 0.07 0.00 0.10 0.00 0.00 34.13 33.15 3fub s GLU 62 CO 0.48 -0.43 0.61 -0.48 0.02 0.00 0.00 175.26 175.47 3fub s LEU 63 N -3.72 -0.55 -0.22 1.80 2.34 0.11 -4.79 118.68 113.64 3fub s LEU 63 Ca 0.17 -0.03 -0.12 0.00 0.06 0.00 0.00 54.13 54.21 3fub s LEU 63 Cb 0.02 2.60 -0.05 0.00 -0.56 0.00 0.00 46.19 48.21 3fub s LEU 63 CO 0.10 -0.99 0.22 -0.63 -1.06 0.00 0.00 176.35 174.00 3fub s ILE 64 N -3.75 5.32 -0.12 1.48 -1.09 -1.26 -0.41 121.20 121.37 3fub s ILE 64 Ca 0.02 0.33 0.01 0.00 -2.23 0.00 0.00 60.65 58.78 3fub s ILE 64 Cb -0.01 -3.56 -0.01 0.00 -1.58 0.00 0.00 42.46 37.29 3fub s ILE 64 CO -0.12 0.33 -0.15 0.12 -1.23 0.00 0.00 174.94 173.89 3fub s PHE 65 N 1.04 2.76 -0.05 3.97 5.36 -0.35 -4.97 117.98 125.74 3fub s PHE 65 Ca 0.11 -0.70 0.06 0.00 -0.96 0.00 0.00 56.93 55.44 3fub s PHE 65 Cb -0.14 -1.81 -0.02 0.00 -0.34 0.00 0.00 43.02 40.72 3fub s PHE 65 CO 0.05 -0.24 -0.23 1.03 -1.46 0.00 0.00 175.22 174.37 3fub s ARG 66 N 0.31 2.44 0.07 10.12 0.52 -1.26 -1.02 118.95 130.12 3fub s ARG 66 Ca -0.12 -0.87 0.02 0.00 -0.52 0.00 0.00 55.73 54.23 3fub s ARG 66 Cb -0.16 -2.17 -0.03 0.00 0.52 0.00 0.00 34.95 33.10 3fub s ARG 66 CO 0.06 0.47 -0.07 1.52 0.02 0.00 0.00 175.30 177.30 3fub s TYR 67 N -0.36 0.75 -0.24 -0.53 1.13 0.38 -0.43 117.35 118.04 3fub s TYR 67 Ca 0.03 -0.75 -0.10 0.00 -1.41 0.00 0.00 57.07 54.83 3fub s TYR 67 Cb -0.12 -0.45 -0.05 0.00 -1.10 0.00 0.00 41.96 40.24 3fub s TYR 67 CO 0.02 -0.15 0.15 0.00 -2.51 0.00 0.00 175.55 173.06 3fub s SER 69 N 1.13 -0.20 0.00 0.00 1.04 -1.03 -4.83 113.70 109.81 3fub s SER 69 Ca 0.07 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.63 3fub s SER 69 Cb -0.14 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.32 3fub s SER 69 CO 0.05 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.46 3fub n GLY 70 N 1.40 3.71 3.73 7.32 0.00 -1.26 -2.78 105.19 117.31 3fub n GLY 70 Ca -0.21 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 3fub n GLY 70 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fub s SER 71 N 0.00 7.19 -0.48 1.61 0.15 -1.22 -4.73 113.70 116.22 3fub s SER 71 Ca 0.00 2.07 0.05 0.00 0.70 0.00 0.00 55.95 58.77 3fub s SER 71 Cb 0.00 -2.60 0.19 0.00 -1.71 0.00 0.00 66.02 61.91 3fub s SER 71 CO 0.00 -0.32 0.76 0.00 1.20 0.00 0.00 173.24 174.89 3fub n ASP 73 N 3.13 -0.56 -1.30 0.00 2.03 -1.26 -4.45 116.55 114.13 3fub n ASP 73 Ca 0.16 -3.06 0.06 0.00 0.52 0.00 0.00 54.79 52.47 3fub n ASP 73 Cb 0.57 0.50 0.27 0.00 -0.72 0.00 0.00 41.12 41.74 3fub n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fub n ALA 74 N 0.07 3.11 -3.44 -1.67 0.00 -1.26 -4.95 120.51 112.36 3fub n ALA 74 Ca 0.11 -1.20 -0.19 0.00 0.00 0.00 0.00 53.44 52.16 3fub n ALA 74 Cb 0.74 -1.04 0.03 0.00 0.00 0.00 0.00 19.45 19.18 3fub n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fub n ALA 75 N 0.65 -2.56 0.44 0.00 0.00 -1.26 -4.96 120.51 112.83 3fub n ALA 75 Ca 0.19 -0.10 -0.17 0.00 0.00 0.00 0.00 53.44 53.36 3fub n ALA 75 Cb 0.75 -3.47 -0.08 0.00 0.00 0.00 0.00 19.45 16.65 3fub n ALA 75 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3fub h GLU 76 N -0.93 -1.09 -7.16 0.00 3.07 -1.92 -3.38 114.58 103.16 3fub h GLU 76 Ca -0.48 0.07 -0.48 0.00 -0.50 0.00 0.00 59.36 57.97 3fub h GLU 76 Cb 1.26 0.25 0.06 0.00 -0.84 0.00 0.00 28.75 29.48 3fub h GLU 76 CO 0.41 -0.73 0.21 -0.08 -1.40 0.00 0.00 179.01 177.43 3fub s THR 77 N -5.50 3.80 0.26 1.13 -1.32 -1.26 -4.87 115.64 107.88 3fub s THR 77 Ca -0.17 0.13 -0.02 0.00 -1.21 0.00 0.00 61.69 60.41 3fub s THR 77 Cb 0.02 -3.51 0.24 0.00 -1.51 0.00 0.00 72.50 67.74 3fub s THR 77 CO 0.50 -0.55 1.83 0.74 -2.21 0.00 0.00 174.62 174.93 3fub h THR 78 N -0.21 0.94 -0.49 5.08 2.02 -1.99 0.16 112.91 118.43 3fub h THR 78 Ca -0.45 -0.31 0.04 0.00 0.77 0.00 0.00 66.41 66.46 3fub h THR 78 Cb 1.25 -0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 3fub h THR 78 CO 0.61 0.17 0.24 0.22 0.37 0.00 0.00 175.52 177.13 3fub h TYR 79 N 0.91 0.45 0.00 3.16 3.20 -1.97 -0.67 116.97 122.05 3fub h TYR 79 Ca 0.43 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 62.17 3fub h TYR 79 Cb 0.36 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3fub h TYR 79 CO -0.03 0.22 -0.71 -0.44 -1.64 0.00 0.00 178.16 175.55 3fub h ASP 80 N 0.48 0.00 -0.51 -2.11 3.32 -1.63 -2.53 116.42 113.44 3fub h ASP 80 Ca 0.22 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 3fub h ASP 80 Cb 0.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3fub h ASP 80 CO -0.16 0.71 0.11 0.11 -1.72 0.00 0.00 179.24 178.29 3fub h LYS 81 N 0.00 0.83 -0.83 3.56 1.57 -0.52 -2.98 116.57 118.19 3fub h LYS 81 Ca -0.01 -0.21 0.04 0.00 -1.87 0.00 0.00 60.65 58.60 3fub h LYS 81 Cb 1.31 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.46 3fub h LYS 81 CO 0.09 0.80 0.53 0.82 -0.57 0.00 0.00 179.45 181.13 3fub h ILE 82 N 0.71 1.11 -0.25 1.86 2.04 -0.89 -2.47 117.51 119.62 3fub h ILE 82 Ca 0.16 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 3fub h ILE 82 Cb 0.36 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 3fub h ILE 82 CO 0.01 0.19 0.05 -0.07 0.00 0.00 0.00 178.15 178.32 3fub h LEU 83 N 1.02 0.39 -0.68 1.44 3.38 -1.37 0.24 115.31 119.72 3fub h LEU 83 Ca 0.34 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 58.10 3fub h LEU 83 Cb 0.04 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3fub h LEU 83 CO -0.13 0.53 0.41 0.50 0.09 0.00 0.00 178.44 179.85 3fub h LYS 84 N 0.23 0.77 -0.27 1.13 3.64 -1.45 -2.16 116.57 118.47 3fub h LYS 84 Ca 0.08 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.26 3fub h LYS 84 Cb 0.30 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3fub h LYS 84 CO 0.00 0.51 -0.45 -0.91 -2.27 0.00 0.00 179.45 176.33 3fub h ASN 85 N 0.80 0.74 1.03 4.20 2.35 -1.19 -2.06 115.58 121.45 3fub h ASN 85 Ca 0.28 -0.36 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 3fub h ASN 85 Cb 0.07 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 3fub h ASN 85 CO -0.13 1.09 -0.10 0.25 -1.65 0.00 0.00 177.43 176.89 3fub h LEU 86 N 0.55 0.00 0.12 1.61 5.85 -0.24 -2.33 115.31 120.87 3fub h LEU 86 Ca 0.03 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.41 3fub h LEU 86 Cb 1.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 3fub h LEU 86 CO 0.09 0.10 -1.84 -1.28 -0.34 0.00 0.00 178.44 175.18 3fub h SER 87 N 0.00 0.40 -0.75 1.25 0.87 -1.35 -0.42 113.55 113.55 3fub h SER 87 Ca -0.00 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 59.66 3fub h SER 87 Cb 0.64 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.43 3fub h SER 87 CO 0.01 1.79 0.47 -0.09 -0.53 0.00 0.00 176.83 178.49 3fub h ARG 88 N -0.07 1.00 -0.60 2.24 2.43 -1.26 -1.41 114.38 116.71 3fub h ARG 88 Ca -0.40 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3fub h ARG 88 Cb 1.95 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 31.28 3fub h ARG 88 CO 0.07 0.69 0.00 0.27 -1.51 0.00 0.00 179.97 179.49 3fub n ASN 89 N -4.53 2.35 0.00 -3.80 0.23 -0.89 -4.90 115.26 103.72 3fub n ASN 89 Ca 0.07 -2.21 0.00 0.00 -0.53 0.00 0.00 54.58 51.90 3fub n ASN 89 Cb 0.04 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.32 3fub n ASN 89 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 3fub n ARG 90 N 0.31 0.00 -0.24 -3.83 -4.01 -0.53 -4.85 116.66 103.50 3fub n ARG 90 Ca 0.11 0.00 0.10 0.00 -1.04 0.00 0.00 57.85 57.02 3fub n ARG 90 Cb 0.47 -2.94 0.37 0.00 -3.04 0.00 0.00 32.46 27.32 3fub n ARG 90 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3fub h ARG 91 N 1.12 0.70 0.08 2.89 2.47 -1.56 -3.01 114.38 117.07 3fub h ARG 91 Ca 0.00 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3fub h ARG 91 Cb 0.00 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.16 3fub h ARG 91 CO 0.00 0.46 -0.04 -0.07 0.56 0.00 0.00 179.97 180.88 3fub h LEU 92 N 0.72 -0.09 0.00 3.04 3.38 -1.44 -3.47 115.31 117.45 3fub h LEU 92 Ca 0.40 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3fub h LEU 92 Cb 0.55 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3fub h LEU 92 CO -0.16 0.28 0.00 0.52 0.09 0.00 0.00 178.44 179.16 3fub n VAL 93 N -4.97 0.00 -2.92 1.22 0.31 -1.14 -4.81 118.33 106.03 3fub n VAL 93 Ca -0.08 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.19 3fub n VAL 93 Cb 0.21 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.17 3fub n VAL 93 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3fub n SER 94 N 1.01 -6.60 0.03 4.52 7.64 -1.26 -5.00 113.62 113.95 3fub n SER 94 Ca 0.00 -0.29 -0.01 0.00 1.01 0.00 0.00 58.87 59.58 3fub n SER 94 Cb 0.00 -4.67 -0.01 0.00 -1.01 0.00 0.00 64.21 58.53 3fub n SER 94 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3fub h ASP 95 N -0.15 -0.07 0.00 6.43 5.19 -2.04 -3.41 116.42 122.37 3fub h ASP 95 Ca -0.22 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 3fub h ASP 95 Cb 1.11 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.64 3fub h ASP 95 CO 0.31 -0.04 -0.34 2.29 -3.12 0.00 0.00 179.24 178.33 3fub n LYS 96 N -2.24 0.24 -2.14 3.56 -0.00 -1.26 -5.09 118.16 111.23 3fub n LYS 96 Ca -0.01 -1.12 -0.41 0.00 -0.00 0.00 0.00 58.31 56.77 3fub n LYS 96 Cb 0.03 -0.64 -0.03 0.00 -0.00 0.00 0.00 35.03 34.40 3fub n LYS 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 3fub s VAL 97 N -0.38 2.93 0.02 0.58 -7.23 -1.26 -5.03 120.40 110.04 3fub s VAL 97 Ca 0.04 0.82 -0.10 0.00 -1.81 0.00 0.00 61.98 60.92 3fub s VAL 97 Cb 0.03 -3.52 0.01 0.00 0.56 0.00 0.00 36.38 33.46 3fub s VAL 97 CO 0.00 0.15 0.21 -0.83 -0.31 0.00 0.00 175.10 174.31 3fub s GLY 98 N 0.09 0.00 0.00 2.32 0.00 -1.26 -5.07 107.32 103.39 3fub s GLY 98 Ca 0.55 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 45.12 3fub s GLY 98 CO 0.44 -0.32 0.00 -1.06 0.00 0.00 0.00 173.10 172.15 3fub n GLN 99 N 0.92 1.24 -1.78 2.90 6.02 -1.26 -5.02 117.38 120.40 3fub n GLN 99 Ca -0.20 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.40 3fub n GLN 99 Cb 0.58 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.87 3fub n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3fub s ALA 100 N -3.27 3.02 0.07 -1.58 0.00 -1.26 -5.03 121.76 113.71 3fub s ALA 100 Ca 0.00 1.41 0.09 0.00 0.00 0.00 0.00 51.96 53.45 3fub s ALA 100 Cb 0.00 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 3fub s ALA 100 CO 0.00 -1.30 -0.22 0.00 0.00 0.00 0.00 175.76 174.25 3fub s ARG 103 N 5.85 2.01 0.27 0.00 1.81 -0.79 -4.62 118.95 123.47 3fub s ARG 103 Ca 0.52 -1.80 -0.29 0.00 -1.72 0.00 0.00 55.73 52.44 3fub s ARG 103 Cb -0.04 -1.87 -0.09 0.00 -0.45 0.00 0.00 34.95 32.49 3fub s ARG 103 CO -0.00 0.14 1.12 -2.14 -0.68 0.00 0.00 175.30 173.74 3fub s PRO 104 N -3.69 4.61 -0.14 3.54 0.02 -1.26 -2.16 135.00 135.92 3fub s PRO 104 Ca 0.34 1.84 0.13 0.00 0.02 0.00 0.00 61.00 63.33 3fub s PRO 104 Cb 0.01 -3.19 -0.19 0.00 0.02 0.00 0.00 34.50 31.15 3fub s PRO 104 CO 0.19 0.16 0.07 0.44 -0.33 0.00 0.00 177.00 177.52 3fub n ILE 105 N 1.29 0.98 -4.15 2.83 -5.35 -0.21 -4.88 119.36 109.87 3fub n ILE 105 Ca -0.01 -0.62 -0.17 0.00 -0.27 0.00 0.00 62.75 61.69 3fub n ILE 105 Cb 0.45 -0.57 -0.12 0.00 -1.74 0.00 0.00 39.64 37.66 3fub n ILE 105 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fub s ALA 106 N -2.40 1.02 0.11 -1.28 0.00 -1.20 -4.95 121.76 113.06 3fub s ALA 106 Ca -0.07 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.00 3fub s ALA 106 Cb 0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 3fub s ALA 106 CO 0.61 0.10 -0.14 -0.06 0.00 0.00 0.00 175.76 176.27 3fub s PHE 107 N -1.42 2.63 1.07 0.00 0.08 -1.26 0.25 117.98 119.32 3fub s PHE 107 Ca -0.03 -0.21 -0.17 0.00 0.12 0.00 0.00 56.93 56.64 3fub s PHE 107 Cb -0.09 -1.39 0.23 0.00 -0.57 0.00 0.00 43.02 41.20 3fub s PHE 107 CO 0.02 0.40 1.20 -0.51 -0.10 0.00 0.00 175.22 176.23 3fub s ASP 108 N -2.13 2.15 0.88 1.36 1.01 -0.40 -4.64 116.67 114.90 3fub s ASP 108 Ca 0.19 0.51 -0.12 0.00 0.71 0.00 0.00 52.55 53.85 3fub s ASP 108 Cb -0.11 -0.71 0.09 0.00 1.01 0.00 0.00 42.92 43.21 3fub s ASP 108 CO 0.11 -3.36 0.96 0.47 0.21 0.00 0.00 175.17 173.57 3fub n ASP 109 N -4.23 -0.11 -4.77 0.27 8.00 -1.26 -4.66 116.55 109.80 3fub n ASP 109 Ca 0.13 0.46 -0.40 0.00 0.71 0.00 0.00 54.79 55.69 3fub n ASP 109 Cb 0.59 -1.41 -0.02 0.00 -0.02 0.00 0.00 41.12 40.27 3fub n ASP 109 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3fub s ASP 110 N -2.27 6.65 -0.15 -2.24 1.01 -1.26 -4.87 116.67 113.54 3fub s ASP 110 Ca 0.66 2.72 -0.01 0.00 0.71 0.00 0.00 52.55 56.63 3fub s ASP 110 Cb -0.25 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.01 3fub s ASP 110 CO 0.58 -0.62 -0.10 -0.22 0.21 0.00 0.00 175.17 175.01 3fub s LEU 111 N -1.94 2.82 0.24 1.23 0.20 -0.80 -4.96 118.68 115.48 3fub s LEU 111 Ca 0.51 -0.31 0.07 0.00 0.69 0.00 0.00 54.13 55.09 3fub s LEU 111 Cb -0.40 -1.65 -0.04 0.00 -0.43 0.00 0.00 46.19 43.67 3fub s LEU 111 CO 0.53 0.14 0.13 -0.44 -0.29 0.00 0.00 176.35 176.42 3fub s SER 112 N 0.53 5.24 -0.03 3.68 0.01 -1.26 -0.23 113.70 121.64 3fub s SER 112 Ca -0.07 -0.34 -0.29 0.00 1.31 0.00 0.00 55.95 56.55 3fub s SER 112 Cb -0.15 -1.25 0.09 0.00 0.21 0.00 0.00 66.02 64.91 3fub s SER 112 CO 0.04 -0.01 0.75 0.72 0.41 0.00 0.00 173.24 175.15 3fub s PHE 113 N -2.12 -0.55 -0.20 2.43 -0.71 -0.77 -5.01 117.98 111.05 3fub s PHE 113 Ca 0.32 0.79 -0.07 0.00 -1.04 0.00 0.00 56.93 56.92 3fub s PHE 113 Cb -0.08 0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 42.15 3fub s PHE 113 CO 0.23 -0.59 0.06 -1.17 -1.34 0.00 0.00 175.22 172.42 3fub s LEU 114 N -1.59 3.72 0.76 -1.99 2.96 -1.26 -1.30 118.68 119.99 3fub s LEU 114 Ca -0.05 0.01 -0.07 0.00 -0.22 0.00 0.00 54.13 53.79 3fub s LEU 114 Cb -0.00 -1.95 0.10 0.00 0.50 0.00 0.00 46.19 44.84 3fub s LEU 114 CO 0.02 0.12 1.07 1.51 -1.32 0.00 0.00 176.35 177.76 3fub s ASP 115 N 0.68 4.37 0.50 3.68 1.47 -0.36 -4.70 116.67 122.31 3fub s ASP 115 Ca 0.03 0.25 0.30 0.00 1.18 0.00 0.00 52.55 54.32 3fub s ASP 115 Cb -0.13 -0.73 1.63 0.00 -0.34 0.00 0.00 42.92 43.35 3fub s ASP 115 CO 0.02 -1.88 1.90 0.44 0.68 0.00 0.00 175.17 176.33 3fub h ASP 116 N -0.80 0.00 -0.60 2.11 3.32 -1.70 -1.27 116.42 117.48 3fub h ASP 116 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3fub h ASP 116 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3fub h ASP 116 CO 0.52 0.00 0.00 -3.20 -1.72 0.00 0.00 179.24 174.84 3fub n ASN 117 N -2.62 5.01 -3.33 6.45 5.15 -1.26 -4.95 115.26 119.71 3fub n ASN 117 Ca -0.02 -2.63 -0.24 0.00 -0.60 0.00 0.00 54.58 51.09 3fub n ASN 117 Cb 0.14 -0.61 0.04 0.00 -0.53 0.00 0.00 39.78 38.83 3fub n ASN 117 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3fub n LEU 118 N 0.86 -2.69 -4.42 1.20 4.77 -0.48 -5.00 117.00 111.24 3fub n LEU 118 Ca 0.26 -0.43 -0.33 0.00 -0.03 0.00 0.00 56.01 55.48 3fub n LEU 118 Cb 0.98 -2.82 -0.14 0.00 -2.33 0.00 0.00 43.42 39.11 3fub n LEU 118 CO 0.26 0.36 -0.46 -0.69 -1.33 0.00 0.00 177.39 175.54 3fub s VAL 119 N -3.20 3.00 0.40 4.08 1.01 -1.26 -4.92 120.40 119.52 3fub s VAL 119 Ca 0.44 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 3fub s VAL 119 Cb -0.20 -2.21 -0.07 0.00 0.00 0.00 0.00 36.38 33.89 3fub s VAL 119 CO 0.54 0.56 0.79 -0.31 0.00 0.00 0.00 175.10 176.68 3fub s TYR 120 N -0.20 3.44 0.02 5.22 2.02 -1.26 -1.22 117.35 125.37 3fub s TYR 120 Ca 0.00 1.14 -0.09 0.00 -0.37 0.00 0.00 57.07 57.75 3fub s TYR 120 Cb -0.13 -2.51 0.00 0.00 -0.40 0.00 0.00 41.96 38.92 3fub s TYR 120 CO 0.03 -0.09 0.17 -1.01 -1.57 0.00 0.00 175.55 173.09 3fub s HIS 121 N -2.30 0.05 -0.06 2.71 3.76 -0.42 -4.97 115.29 114.06 3fub s HIS 121 Ca 0.53 -0.20 0.04 0.00 -0.15 0.00 0.00 55.06 55.28 3fub s HIS 121 Cb -0.10 -0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.55 3fub s HIS 121 CO 0.28 -0.36 -0.17 0.42 -0.85 0.00 0.00 174.74 174.05 3fub s ILE 122 N -2.00 1.46 -0.20 0.60 1.09 -1.26 -1.85 121.20 119.04 3fub s ILE 122 Ca -0.10 -0.71 -0.13 0.00 -1.10 0.00 0.00 60.65 58.61 3fub s ILE 122 Cb -0.04 -1.27 -0.05 0.00 -1.06 0.00 0.00 42.46 40.04 3fub s ILE 122 CO -0.01 0.42 0.28 -0.76 -0.10 0.00 0.00 174.94 174.77 3fub s LEU 123 N 0.23 4.17 0.11 2.97 1.43 0.67 -4.96 118.68 123.30 3fub s LEU 123 Ca -0.09 0.37 0.10 0.00 -1.03 0.00 0.00 54.13 53.48 3fub s LEU 123 Cb -0.14 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 3fub s LEU 123 CO 0.04 0.03 -0.24 -0.13 0.23 0.00 0.00 176.35 176.28 3fub s ARG 124 N 0.95 1.61 -1.32 1.70 0.52 -1.26 -1.90 118.95 119.25 3fub s ARG 124 Ca 0.14 -1.24 -0.08 0.00 -0.52 0.00 0.00 55.73 54.03 3fub s ARG 124 Cb -0.14 -1.99 -0.00 0.00 0.52 0.00 0.00 34.95 33.34 3fub s ARG 124 CO 0.05 0.47 0.54 1.63 0.02 0.00 0.00 175.30 178.01 3fub n LYS 125 N 1.03 -2.57 -0.02 3.54 5.02 -1.26 -4.89 118.16 119.01 3fub n LYS 125 Ca -0.17 0.40 -0.01 0.00 -2.02 0.00 0.00 58.31 56.52 3fub n LYS 125 Cb 0.53 -4.31 -0.05 0.00 -0.02 0.00 0.00 35.03 31.18 3fub n LYS 125 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 3fub n HIS 126 N -4.37 0.00 -4.53 2.13 1.44 -1.26 -5.02 115.22 103.60 3fub n HIS 126 Ca -0.24 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.26 3fub n HIS 126 Cb 0.65 -0.23 -0.14 0.00 0.12 0.00 0.00 29.99 30.38 3fub n HIS 126 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3fub s SER 127 N -3.34 1.60 0.25 4.39 0.15 -1.26 -4.84 113.70 110.65 3fub s SER 127 Ca -0.03 -0.31 -0.30 0.00 0.70 0.00 0.00 55.95 56.02 3fub s SER 127 Cb 0.03 -0.15 -0.09 0.00 -1.71 0.00 0.00 66.02 64.09 3fub s SER 127 CO 0.25 0.13 0.97 0.00 1.20 0.00 0.00 173.24 175.79 3fub s ALA 128 N -0.48 3.35 -0.27 5.45 0.00 0.43 -1.27 121.76 128.96 3fub s ALA 128 Ca 0.04 0.67 -0.12 0.00 0.00 0.00 0.00 51.96 52.55 3fub s ALA 128 Cb -0.06 -3.23 -0.13 0.00 0.00 0.00 0.00 23.12 19.70 3fub s ALA 128 CO 0.00 0.14 -0.32 1.17 0.00 0.00 0.00 175.76 176.75 3fub n LYS 129 N 1.39 0.60 -4.30 0.00 4.81 0.14 -4.61 118.16 116.18 3fub n LYS 129 Ca -0.02 0.26 -0.22 0.00 -0.87 0.00 0.00 58.31 57.46 3fub n LYS 129 Cb 0.47 -1.51 -0.12 0.00 0.02 0.00 0.00 35.03 33.90 3fub n LYS 129 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3fub s ARG 130 N -2.51 1.18 0.00 1.64 0.52 -1.16 -4.96 118.95 113.67 3fub s ARG 130 Ca -0.38 -1.30 0.07 0.00 -0.52 0.00 0.00 55.73 53.61 3fub s ARG 130 Cb 0.14 -1.28 -0.02 0.00 0.52 0.00 0.00 34.95 34.31 3fub s ARG 130 CO 0.51 0.27 -0.23 0.00 0.02 0.00 0.00 175.30 175.88 3fub s GLY 132 N -0.75 0.07 -0.38 0.00 0.00 -0.92 -4.88 107.32 100.47 3fub s GLY 132 Ca 0.09 -0.41 -0.16 0.00 0.00 0.00 0.00 44.72 44.24 3fub s GLY 132 CO 0.00 -0.37 0.37 0.00 0.00 0.00 0.00 173.10 173.10