#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugj s SER 2 N 0.00 3.86 -0.29 1.61 0.15 -1.26 -5.07 113.70 112.69 1ugj s SER 2 Ca 0.00 -1.10 -0.14 0.00 0.70 0.00 0.00 55.95 55.41 1ugj s SER 2 Cb 0.00 -1.42 0.14 0.00 -1.71 0.00 0.00 66.02 63.03 1ugj s SER 2 CO 0.00 -0.14 0.87 -0.55 1.20 0.00 0.00 173.24 174.62 1ugj s SER 3 N 1.24 -0.74 0.01 5.45 0.15 -1.26 -5.17 113.70 113.38 1ugj s SER 3 Ca -0.04 1.07 -0.12 0.00 0.70 0.00 0.00 55.95 57.56 1ugj s SER 3 Cb -0.17 1.65 0.01 0.00 -1.71 0.00 0.00 66.02 65.80 1ugj s SER 3 CO -0.08 -0.16 0.25 -0.83 1.20 0.00 0.00 173.24 173.63 1ugj s GLY 4 N 2.16 -0.07 0.18 9.45 0.00 -1.26 -5.08 107.32 112.70 1ugj s GLY 4 Ca -0.06 0.06 -0.24 0.00 0.00 0.00 0.00 44.72 44.48 1ugj s GLY 4 CO -0.17 -0.13 0.88 -1.35 0.00 0.00 0.00 173.10 172.33 1ugj s SER 5 N -1.63 -0.21 0.22 1.64 1.04 -1.26 -5.19 113.70 108.31 1ugj s SER 5 Ca -0.10 -0.44 -0.07 0.00 0.48 0.00 0.00 55.95 55.82 1ugj s SER 5 Cb -0.04 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 1ugj s SER 5 CO 0.01 -1.02 0.30 -0.55 0.98 0.00 0.00 173.24 172.96 1ugj s SER 6 N -2.92 0.03 -0.21 7.02 0.15 -1.26 -5.16 113.70 111.36 1ugj s SER 6 Ca 0.11 -1.15 -0.04 0.00 0.70 0.00 0.00 55.95 55.57 1ugj s SER 6 Cb -0.03 0.48 0.11 0.00 -1.71 0.00 0.00 66.02 64.87 1ugj s SER 6 CO 0.03 -0.98 0.28 -0.83 1.20 0.00 0.00 173.24 172.93 1ugj s GLY 7 N -3.09 -0.14 0.59 9.45 0.00 -1.26 -5.15 107.32 107.72 1ugj s GLY 7 Ca 0.30 0.52 -0.16 0.00 0.00 0.00 0.00 44.72 45.38 1ugj s GLY 7 CO 0.10 2.31 1.05 2.56 0.00 0.00 0.00 173.10 179.12 1ugj s PRO 8 N 2.41 3.39 0.06 2.90 0.04 -1.26 -5.07 135.00 137.46 1ugj s PRO 8 Ca 0.08 1.16 -0.09 0.00 0.04 0.00 0.00 61.00 62.20 1ugj s PRO 8 Cb -0.15 -2.04 -0.00 0.00 0.04 0.00 0.00 34.50 32.34 1ugj s PRO 8 CO -0.13 -0.75 0.18 1.03 0.04 0.00 0.00 177.00 177.37 1ugj s ARG 9 N -4.11 0.76 -0.06 4.56 0.52 -1.26 -5.15 118.95 114.21 1ugj s ARG 9 Ca 0.63 -0.81 -0.03 0.00 -0.52 0.00 0.00 55.73 55.00 1ugj s ARG 9 Cb -0.15 0.31 0.03 0.00 0.52 0.00 0.00 34.95 35.66 1ugj s ARG 9 CO 0.37 -0.23 0.13 -0.51 0.02 0.00 0.00 175.30 175.08 1ugj s LEU 10 N -2.48 1.00 0.07 2.53 1.43 -1.26 -4.68 118.68 115.29 1ugj s LEU 10 Ca 0.00 0.26 -0.27 0.00 -1.03 0.00 0.00 54.13 53.09 1ugj s LEU 10 Cb 0.02 0.34 0.09 0.00 0.03 0.00 0.00 46.19 46.68 1ugj s LEU 10 CO -0.07 -0.11 1.13 -0.31 0.23 0.00 0.00 176.35 177.21 1ugj s TYR 11 N 0.83 -0.07 -0.21 0.29 2.02 -1.26 -5.10 117.35 113.85 1ugj s TYR 11 Ca -0.06 -0.14 -0.33 0.00 -0.37 0.00 0.00 57.07 56.16 1ugj s TYR 11 Cb -0.08 0.60 0.15 0.00 -0.40 0.00 0.00 41.96 42.23 1ugj s TYR 11 CO -0.04 -0.56 1.21 -1.59 -1.57 0.00 0.00 175.55 173.00 1ugj s LYS 12 N -2.77 0.29 0.02 -0.62 0.00 -1.26 -4.75 119.74 110.65 1ugj s LYS 12 Ca 0.14 -0.05 -0.09 0.00 0.00 0.00 0.00 55.97 55.98 1ugj s LYS 12 Cb 0.01 0.14 0.00 0.00 0.00 0.00 0.00 37.83 37.98 1ugj s LYS 12 CO -0.00 -0.11 0.18 -1.21 0.00 0.00 0.00 175.35 174.20 1ugj s GLU 13 N -1.89 0.60 0.27 1.78 2.02 -1.26 -5.17 118.70 115.06 1ugj s GLU 13 Ca 0.08 -0.49 -0.05 0.00 0.02 0.00 0.00 54.97 54.53 1ugj s GLU 13 Cb -0.01 0.25 0.07 0.00 0.10 0.00 0.00 34.13 34.54 1ugj s GLU 13 CO -0.05 -0.16 0.30 -0.35 0.02 0.00 0.00 175.26 175.02 1ugj n PRO 14 N 1.06 -0.93 -4.09 0.39 -0.04 -1.26 -4.37 135.00 125.77 1ugj n PRO 14 Ca -0.21 -0.47 -0.44 0.00 -0.04 0.00 0.00 63.50 62.34 1ugj n PRO 14 Cb 0.57 -0.37 0.01 0.00 -0.04 0.00 0.00 33.50 33.67 1ugj n PRO 14 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ugj n SER 15 N -3.34 -3.51 -4.01 3.54 7.64 -1.26 -4.89 113.62 107.79 1ugj n SER 15 Ca 0.04 -1.24 -0.30 0.00 1.01 0.00 0.00 58.87 58.39 1ugj n SER 15 Cb 0.14 -1.48 0.23 0.00 -1.01 0.00 0.00 64.21 62.10 1ugj n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ugj s ALA 16 N -3.67 0.38 -0.21 -0.43 0.00 -1.26 -5.08 121.76 111.49 1ugj s ALA 16 Ca 0.44 -0.74 -0.24 0.00 0.00 0.00 0.00 51.96 51.41 1ugj s ALA 16 Cb -0.24 -2.97 0.06 0.00 0.00 0.00 0.00 23.12 19.97 1ugj s ALA 16 CO 0.92 -3.61 0.66 0.21 0.00 0.00 0.00 175.76 173.95 1ugj s LYS 17 N -5.18 0.83 -0.07 0.00 2.20 -1.26 -5.16 119.74 111.09 1ugj s LYS 17 Ca 0.69 0.79 0.05 0.00 -0.36 0.00 0.00 55.97 57.14 1ugj s LYS 17 Cb -0.13 0.40 -0.01 0.00 -1.51 0.00 0.00 37.83 36.58 1ugj s LYS 17 CO 0.57 -0.14 -0.23 -1.54 -0.36 0.00 0.00 175.35 173.66 1ugj s SER 18 N 0.05 2.87 -0.14 1.43 1.04 -1.26 -4.88 113.70 112.80 1ugj s SER 18 Ca -0.02 -0.49 0.15 0.00 0.48 0.00 0.00 55.95 56.07 1ugj s SER 18 Cb -0.04 -0.98 0.57 0.00 0.10 0.00 0.00 66.02 65.68 1ugj s SER 18 CO 0.03 0.19 1.48 -0.46 0.98 0.00 0.00 173.24 175.46 1ugj n ASN 19 N 3.20 4.18 -0.08 7.02 6.94 -1.22 -4.56 115.26 130.73 1ugj n ASN 19 Ca -0.18 -2.71 -0.08 0.00 -0.02 0.00 0.00 54.58 51.59 1ugj n ASN 19 Cb 0.52 -0.52 -0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1ugj n ASN 19 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 1ugj h LYS 20 N 2.62 0.28 0.00 -3.83 3.64 -1.87 0.07 116.57 117.49 1ugj h LYS 20 Ca 0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1ugj h LYS 20 Cb 1.40 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1ugj h LYS 20 CO 0.23 0.19 -0.03 0.74 -2.27 0.00 0.00 179.45 178.30 1ugj h PHE 21 N 0.29 0.00 0.00 1.91 0.04 -1.89 0.14 116.94 117.43 1ugj h PHE 21 Ca 0.13 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.79 1ugj h PHE 21 Cb 0.06 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 1ugj h PHE 21 CO -0.11 0.03 -0.52 0.82 -0.60 0.00 0.00 178.31 177.93 1ugj h ILE 22 N 0.00 0.93 0.04 -0.55 2.04 -1.34 -3.24 117.51 115.39 1ugj h ILE 22 Ca -0.00 -2.20 -0.09 0.00 1.00 0.00 0.00 64.86 63.57 1ugj h ILE 22 Cb 0.10 2.37 -0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1ugj h ILE 22 CO 0.00 0.51 -0.46 0.40 0.00 0.00 0.00 178.15 178.61 1ugj h ILE 23 N 0.00 1.56 -1.20 -0.67 1.08 0.37 -2.57 117.51 116.08 1ugj h ILE 23 Ca -0.01 -2.37 0.39 0.00 -0.39 0.00 0.00 64.86 62.48 1ugj h ILE 23 Cb 1.33 3.14 -0.13 0.00 -3.07 0.00 0.00 36.82 38.09 1ugj h ILE 23 CO 0.07 0.60 0.75 0.45 -0.69 0.00 0.00 178.15 179.33 1ugj h HIS 24 N -0.81 0.63 0.23 1.37 3.86 -1.00 1.40 115.15 120.83 1ugj h HIS 24 Ca -0.10 0.03 -0.33 0.00 -1.16 0.00 0.00 60.37 58.80 1ugj h HIS 24 Cb 1.24 -0.16 0.03 0.00 1.06 0.00 0.00 27.41 29.58 1ugj h HIS 24 CO 0.23 -0.18 -1.48 -0.91 0.86 0.00 0.00 177.93 176.45 1ugj h ASN 25 N 0.17 0.76 -0.61 2.45 2.35 -1.63 -3.05 115.58 116.02 1ugj h ASN 25 Ca 0.77 -0.84 0.16 0.00 -0.55 0.00 0.00 56.30 55.84 1ugj h ASN 25 Cb 2.23 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 40.32 1ugj h ASN 25 CO -0.45 1.67 0.43 0.00 -1.65 0.00 0.00 177.43 177.42 1ugj h ALA 26 N 0.22 2.45 0.04 -0.83 0.00 0.22 1.49 119.26 122.84 1ugj h ALA 26 Ca -0.25 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ugj h ALA 26 Cb 2.14 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.95 1ugj h ALA 26 CO 0.26 -0.62 -0.02 -0.07 0.00 0.00 0.00 179.25 178.80 1ugj h LEU 27 N 0.09 -0.04 0.00 0.00 3.38 -0.70 -2.29 115.31 115.76 1ugj h LEU 27 Ca 0.29 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1ugj h LEU 27 Cb 1.03 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1ugj h LEU 27 CO -0.03 0.63 0.00 -1.20 0.09 0.00 0.00 178.44 177.93 1ugj n SER 28 N -4.79 0.00 -0.05 -0.43 7.64 -0.29 0.16 113.62 115.87 1ugj n SER 28 Ca -0.09 -0.71 -0.18 0.00 1.01 0.00 0.00 58.87 58.91 1ugj n SER 28 Cb 0.32 -0.03 -0.13 0.00 -1.01 0.00 0.00 64.21 63.36 1ugj n SER 28 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1ugj h HIS 29 N 0.00 0.14 0.00 1.43 3.86 0.21 -3.43 115.15 117.37 1ugj h HIS 29 Ca 0.00 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1ugj h HIS 29 Cb 0.03 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1ugj h HIS 29 CO 0.00 1.23 0.00 0.00 0.86 0.00 0.00 177.93 180.02 1ugj n LEU 32 N -4.81 -0.02 -4.72 0.00 4.77 0.12 -4.02 117.00 108.32 1ugj n LEU 32 Ca 0.39 -3.13 -0.35 0.00 -0.03 0.00 0.00 56.01 52.89 1ugj n LEU 32 Cb 1.47 0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 42.75 1ugj n LEU 32 CO 0.16 1.39 -0.17 0.00 -1.33 0.00 0.00 177.39 177.44 1ugj s ALA 33 N -1.75 3.67 0.00 -1.18 0.00 0.08 -4.47 121.76 118.12 1ugj s ALA 33 Ca 0.18 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1ugj s ALA 33 Cb 0.39 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 21.31 1ugj s ALA 33 CO -0.09 0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.18 1ugj n GLY 34 N 3.64 0.91 0.13 0.00 0.00 -1.26 -4.80 105.19 103.81 1ugj n GLY 34 Ca -0.16 -1.92 -0.20 0.00 0.00 0.00 0.00 46.02 43.74 1ugj n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ugj n LYS 35 N -1.63 0.75 -0.35 1.61 3.00 -1.26 -3.59 118.16 116.69 1ugj n LYS 35 Ca 0.00 0.26 0.07 0.00 -0.00 0.00 0.00 58.31 58.64 1ugj n LYS 35 Cb 0.00 -1.70 0.25 0.00 0.00 0.00 0.00 35.03 33.57 1ugj n LYS 35 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 1ugj h VAL 36 N 0.06 0.94 -0.98 3.15 -1.51 -1.99 0.24 116.25 116.16 1ugj h VAL 36 Ca -0.42 -0.34 -0.57 0.00 -1.23 0.00 0.00 66.70 64.13 1ugj h VAL 36 Cb 2.03 -0.13 -0.30 0.00 -2.13 0.00 0.00 31.29 30.76 1ugj h VAL 36 CO 0.08 0.18 0.73 0.59 -1.23 0.00 0.00 177.57 177.92 1ugj n ASN 37 N -4.59 5.30 0.09 4.19 3.02 -1.26 -4.39 115.26 117.63 1ugj n ASN 37 Ca 0.18 -3.65 -0.22 0.00 -0.03 0.00 0.00 54.58 50.86 1ugj n ASN 37 Cb 0.33 -0.89 -0.14 0.00 -0.61 0.00 0.00 39.78 38.47 1ugj n ASN 37 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1ugj h GLU 38 N 1.38 0.51 -0.05 3.52 4.81 -0.58 -0.66 114.58 123.51 1ugj h GLU 38 Ca 0.62 -0.76 -0.25 0.00 -0.13 0.00 0.00 59.36 58.84 1ugj h GLU 38 Cb 2.04 0.26 0.02 0.00 0.63 0.00 0.00 28.75 31.70 1ugj h GLU 38 CO 1.28 1.35 -0.95 -1.00 -0.73 0.00 0.00 179.01 178.95 1ugj h PRO 39 N 0.06 0.73 0.27 0.92 0.13 -1.77 -3.17 132.00 129.18 1ugj h PRO 39 Ca -0.19 -0.72 -0.01 0.00 -0.87 0.00 0.00 66.00 64.21 1ugj h PRO 39 Cb 1.87 0.19 0.00 0.00 0.13 0.00 0.00 31.00 33.19 1ugj h PRO 39 CO 0.22 1.30 -0.13 0.37 -0.23 0.00 0.00 178.00 179.53 1ugj h GLN 40 N 0.45 -0.35 -0.84 0.86 4.15 -1.84 -2.92 115.11 114.62 1ugj h GLN 40 Ca -0.10 0.02 0.14 0.00 0.77 0.00 0.00 58.65 59.49 1ugj h GLN 40 Cb 1.59 0.08 -0.14 0.00 0.21 0.00 0.00 27.48 29.22 1ugj h GLN 40 CO 0.19 -0.02 -0.29 1.17 -1.93 0.00 0.00 178.83 177.95 1ugj n LYS 41 N -5.03 -0.15 -0.06 1.69 4.81 -0.25 0.21 118.16 119.38 1ugj n LYS 41 Ca -0.08 1.30 -0.08 0.00 -0.87 0.00 0.00 58.31 58.59 1ugj n LYS 41 Cb 0.25 -1.94 -0.02 0.00 0.02 0.00 0.00 35.03 33.34 1ugj n LYS 41 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1ugj h ASN 42 N 0.00 -0.24 -0.92 3.14 2.35 -1.60 0.47 115.58 118.78 1ugj h ASN 42 Ca 0.33 0.07 0.18 0.00 -0.55 0.00 0.00 56.30 56.34 1ugj h ASN 42 Cb 0.54 0.16 -0.08 0.00 0.05 0.00 0.00 38.32 38.99 1ugj h ASN 42 CO -0.85 -0.09 0.59 0.03 -1.65 0.00 0.00 177.43 175.47 1ugj h ARG 43 N -0.01 0.59 -0.00 0.81 2.47 0.27 0.36 114.38 118.87 1ugj h ARG 43 Ca 0.12 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.80 1ugj h ARG 43 Cb 0.19 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1ugj h ARG 43 CO -0.25 0.39 -0.01 0.82 0.56 0.00 0.00 179.97 181.48 1ugj h ILE 44 N 0.60 1.51 -0.54 2.04 1.08 0.12 -1.18 117.51 121.16 1ugj h ILE 44 Ca 0.49 -1.52 0.10 0.00 -0.39 0.00 0.00 64.86 63.54 1ugj h ILE 44 Cb 0.93 2.54 -0.08 0.00 -3.07 0.00 0.00 36.82 37.14 1ugj h ILE 44 CO -0.23 0.40 0.06 -0.07 -0.69 0.00 0.00 178.15 177.61 1ugj h LEU 45 N -0.63 -0.11 0.82 1.44 3.38 0.12 -0.92 115.31 119.41 1ugj h LEU 45 Ca -0.00 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1ugj h LEU 45 Cb 0.65 0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.59 1ugj h LEU 45 CO 0.00 -0.03 -0.39 -0.33 0.09 0.00 0.00 178.44 177.77 1ugj h GLU 46 N 0.18 -1.06 -0.91 1.13 5.08 -0.37 -0.82 114.58 117.81 1ugj h GLU 46 Ca 0.28 0.07 0.27 0.00 -1.00 0.00 0.00 59.36 58.98 1ugj h GLU 46 Cb 0.41 0.24 -0.17 0.00 0.50 0.00 0.00 28.75 29.74 1ugj h GLU 46 CO -0.41 -0.71 0.09 0.39 -1.00 0.00 0.00 179.01 177.38 1ugj n GLU 47 N -5.11 -0.07 0.08 2.33 -0.58 -0.45 0.19 120.64 117.04 1ugj n GLU 47 Ca -0.14 1.34 -0.13 0.00 -0.42 0.00 0.00 57.16 57.81 1ugj n GLU 47 Cb 0.43 -2.17 -0.08 0.00 -0.57 0.00 0.00 31.44 29.05 1ugj n GLU 47 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1ugj h ILE 48 N 0.00 0.99 0.00 -3.67 2.04 -0.95 1.39 117.51 117.30 1ugj h ILE 48 Ca 0.58 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 1ugj h ILE 48 Cb 1.28 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1ugj h ILE 48 CO -0.83 0.11 -0.04 -0.33 0.00 0.00 0.00 178.15 177.06 1ugj h GLU 49 N -0.39 0.00 0.04 2.37 4.39 0.28 -1.02 114.58 120.25 1ugj h GLU 49 Ca -0.02 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.40 1ugj h GLU 49 Cb 0.31 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1ugj h GLU 49 CO 0.03 0.04 -1.53 1.57 -1.16 0.00 0.00 179.01 177.96 1ugj h LYS 50 N 0.00 0.09 -6.87 2.33 2.10 0.26 -3.46 116.57 111.02 1ugj h LYS 50 Ca -0.00 -0.15 -0.52 0.00 -2.00 0.00 0.00 60.65 57.99 1ugj h LYS 50 Cb 0.11 0.05 0.05 0.00 -0.90 0.00 0.00 32.23 31.55 1ugj h LYS 50 CO 0.01 0.82 0.59 0.45 -2.00 0.00 0.00 179.45 179.32 1ugj s SER 51 N -6.53 6.87 -0.24 7.07 0.15 0.47 -4.90 113.70 116.59 1ugj s SER 51 Ca -0.06 2.57 0.05 0.00 0.70 0.00 0.00 55.95 59.20 1ugj s SER 51 Cb 0.08 -2.64 0.46 0.00 -1.71 0.00 0.00 66.02 62.21 1ugj s SER 51 CO 0.83 -0.45 1.49 1.17 1.20 0.00 0.00 173.24 177.47 1ugj n LYS 52 N 0.83 2.39 -4.05 5.44 0.00 -1.26 -4.89 118.16 116.62 1ugj n LYS 52 Ca 0.00 -1.96 -0.25 0.00 0.00 0.00 0.00 58.31 56.10 1ugj n LYS 52 Cb 0.43 -1.84 -0.05 0.00 0.00 0.00 0.00 35.03 33.57 1ugj n LYS 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ugj s ALA 53 N -2.12 3.68 -0.11 3.14 0.00 -1.26 -5.02 121.76 120.07 1ugj s ALA 53 Ca 0.36 -1.21 0.10 0.00 0.00 0.00 0.00 51.96 51.21 1ugj s ALA 53 Cb 0.29 -1.47 -0.14 0.00 0.00 0.00 0.00 23.12 21.81 1ugj s ALA 53 CO 0.08 0.46 0.03 0.27 0.00 0.00 0.00 175.76 176.60 1ugj n ASN 54 N -0.58 2.27 -4.66 0.00 6.94 -1.26 -4.94 115.26 113.03 1ugj n ASN 54 Ca -0.08 -0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 54.11 1ugj n ASN 54 Cb 0.55 0.75 -0.09 0.00 -2.36 0.00 0.00 39.78 38.63 1ugj n ASN 54 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1ugj s HIS 55 N -2.27 3.32 -0.10 -2.53 2.46 -1.26 -2.61 115.29 112.30 1ugj s HIS 55 Ca -0.06 0.33 0.00 0.00 0.47 0.00 0.00 55.06 55.81 1ugj s HIS 55 Cb 0.03 -2.36 0.02 0.00 -0.13 0.00 0.00 32.58 30.14 1ugj s HIS 55 CO 0.45 0.01 -0.08 -0.06 -2.47 0.00 0.00 174.74 172.60 1ugj s PHE 56 N 1.23 1.38 0.08 3.88 0.08 -1.26 -1.81 117.98 121.56 1ugj s PHE 56 Ca 0.11 -0.62 0.02 0.00 0.12 0.00 0.00 56.93 56.55 1ugj s PHE 56 Cb -0.14 -1.13 -0.04 0.00 -0.57 0.00 0.00 43.02 41.14 1ugj s PHE 56 CO 0.06 -0.43 0.16 -0.51 -0.10 0.00 0.00 175.22 174.40 1ugj s LEU 57 N 1.46 4.09 -0.21 -0.37 1.02 0.49 -4.81 118.68 120.36 1ugj s LEU 57 Ca -0.00 0.12 -0.05 0.00 0.02 0.00 0.00 54.13 54.22 1ugj s LEU 57 Cb -0.13 -2.72 -0.02 0.00 0.02 0.00 0.00 46.19 43.33 1ugj s LEU 57 CO -0.05 0.16 -0.01 -0.63 0.02 0.00 0.00 176.35 175.83 1ugj s ILE 58 N -1.49 3.76 -0.00 -0.59 1.01 -1.26 -0.07 121.20 122.56 1ugj s ILE 58 Ca 0.32 -0.37 -0.25 0.00 0.00 0.00 0.00 60.65 60.35 1ugj s ILE 58 Cb -0.12 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1ugj s ILE 58 CO 0.25 0.42 0.77 -0.22 0.00 0.00 0.00 174.94 176.17 1ugj s LEU 59 N 1.16 4.39 0.00 2.97 2.96 0.11 -3.05 118.68 127.21 1ugj s LEU 59 Ca 0.03 1.38 0.01 0.00 -0.22 0.00 0.00 54.13 55.32 1ugj s LEU 59 Cb -0.14 -3.22 0.01 0.00 0.50 0.00 0.00 46.19 43.33 1ugj s LEU 59 CO 0.01 -0.08 0.08 0.49 -1.32 0.00 0.00 176.35 175.53 1ugj n PHE 60 N 3.35 0.48 -0.07 5.38 3.01 -1.23 0.19 117.46 128.56 1ugj n PHE 60 Ca -0.01 -1.88 -0.22 0.00 1.01 0.00 0.00 57.45 56.35 1ugj n PHE 60 Cb 0.51 -0.28 -0.12 0.00 -0.01 0.00 0.00 39.48 39.58 1ugj n PHE 60 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1ugj n ARG 61 N -1.10 0.67 0.03 -1.08 0.00 -1.25 -4.79 116.66 109.13 1ugj n ARG 61 Ca -0.13 0.30 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 1ugj n ARG 61 Cb 0.49 -1.64 0.00 0.00 0.00 0.00 0.00 32.46 31.31 1ugj n ARG 61 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1ugj n ASP 62 N -3.75 0.44 -3.22 6.15 2.03 -1.26 -5.01 116.55 111.93 1ugj n ASP 62 Ca -0.38 0.07 0.04 0.00 0.52 0.00 0.00 54.79 55.04 1ugj n ASP 62 Cb 0.93 -0.12 -0.03 0.00 -0.72 0.00 0.00 41.12 41.18 1ugj n ASP 62 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ugj s SER 63 N -5.35 -0.32 -1.30 1.67 1.04 -1.26 -4.86 113.70 103.33 1ugj s SER 63 Ca 0.00 0.33 -0.22 0.00 0.48 0.00 0.00 55.95 56.53 1ugj s SER 63 Cb 0.00 1.32 0.03 0.00 0.10 0.00 0.00 66.02 67.47 1ugj s SER 63 CO 0.00 -0.06 0.42 -1.20 0.98 0.00 0.00 173.24 173.38 1ugj n SER 64 N 5.04 -2.22 0.00 7.02 7.64 -1.26 -4.85 113.62 125.00 1ugj n SER 64 Ca -0.08 -1.27 0.00 0.00 1.01 0.00 0.00 58.87 58.54 1ugj n SER 64 Cb 0.54 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1ugj n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ugj s GLN 66 N -0.34 1.21 -0.09 0.00 -2.07 -1.26 -4.92 119.66 112.19 1ugj s GLN 66 Ca 0.00 -1.46 -0.27 0.00 -1.82 0.00 0.00 55.36 51.81 1ugj s GLN 66 Cb 0.00 -1.05 -0.02 0.00 -1.09 0.00 0.00 33.01 30.85 1ugj s GLN 66 CO 0.00 0.18 0.89 0.12 -1.32 0.00 0.00 175.29 175.16 1ugj s PHE 67 N -2.65 3.53 -0.22 9.60 2.19 -1.26 -3.89 117.98 125.28 1ugj s PHE 67 Ca 0.17 1.45 -0.10 0.00 0.33 0.00 0.00 56.93 58.78 1ugj s PHE 67 Cb -0.02 -3.04 -0.10 0.00 -1.31 0.00 0.00 43.02 38.55 1ugj s PHE 67 CO 0.05 -0.12 -0.28 0.54 1.83 0.00 0.00 175.22 177.25 1ugj n ARG 68 N 4.57 0.47 -3.60 10.12 5.12 0.50 -4.97 116.66 128.86 1ugj n ARG 68 Ca 0.05 0.20 -0.10 0.00 -1.93 0.00 0.00 57.85 56.07 1ugj n ARG 68 Cb 0.50 -1.29 -0.06 0.00 -1.16 0.00 0.00 32.46 30.45 1ugj n ARG 68 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ugj s ALA 69 N -2.40 -1.95 0.21 7.54 0.00 -1.18 -3.96 121.76 120.01 1ugj s ALA 69 Ca -0.31 1.71 -0.14 0.00 0.00 0.00 0.00 51.96 53.22 1ugj s ALA 69 Cb 0.12 -1.02 -0.08 0.00 0.00 0.00 0.00 23.12 22.14 1ugj s ALA 69 CO 0.39 -0.28 0.61 -1.17 0.00 0.00 0.00 175.76 175.31 1ugj s LEU 70 N -0.51 4.25 0.02 0.00 2.96 -1.06 0.06 118.68 124.40 1ugj s LEU 70 Ca 0.00 1.12 0.00 0.00 -0.22 0.00 0.00 54.13 55.03 1ugj s LEU 70 Cb -0.02 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 1ugj s LEU 70 CO -0.02 -0.01 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.67 1ugj s TYR 71 N -1.65 0.23 -0.18 5.38 1.51 0.90 -2.18 117.35 121.36 1ugj s TYR 71 Ca 0.44 -0.45 -0.05 0.00 -1.01 0.00 0.00 57.07 56.00 1ugj s TYR 71 Cb -0.13 -0.17 -0.03 0.00 -0.11 0.00 0.00 41.96 41.52 1ugj s TYR 71 CO 0.20 -0.16 -0.01 0.95 -1.11 0.00 0.00 175.55 175.42 1ugj s THR 72 N -1.23 4.00 0.02 -0.71 -4.23 -0.86 0.19 115.64 112.82 1ugj s THR 72 Ca -0.13 -0.31 -0.30 0.00 -1.18 0.00 0.00 61.69 59.77 1ugj s THR 72 Cb -0.08 -2.79 -0.04 0.00 1.34 0.00 0.00 72.50 70.93 1ugj s THR 72 CO -0.01 0.46 0.97 -0.22 -0.54 0.00 0.00 174.62 175.28 1ugj s LEU 73 N 0.66 4.40 -0.14 4.79 2.96 -0.75 -2.05 118.68 128.55 1ugj s LEU 73 Ca -0.01 1.68 -0.27 0.00 -0.22 0.00 0.00 54.13 55.31 1ugj s LEU 73 Cb -0.14 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 1ugj s LEU 73 CO 0.02 -0.22 0.92 -0.44 -1.32 0.00 0.00 176.35 175.32 1ugj s SER 74 N 0.79 7.10 0.13 3.68 0.01 -1.08 -4.62 113.70 119.72 1ugj s SER 74 Ca 0.51 1.35 0.21 0.00 1.31 0.00 0.00 55.95 59.33 1ugj s SER 74 Cb -0.21 -2.50 0.85 0.00 0.21 0.00 0.00 66.02 64.36 1ugj s SER 74 CO 0.28 -0.42 1.65 0.61 0.41 0.00 0.00 173.24 175.76 1ugj n GLY 75 N 3.26 -1.24 0.08 3.44 0.00 -1.26 -2.34 105.19 107.13 1ugj n GLY 75 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1ugj n GLY 75 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1ugj h GLU 76 N 0.00 0.03 0.00 1.61 9.09 -1.90 -3.44 114.58 119.98 1ugj h GLU 76 Ca 0.00 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.36 1ugj h GLU 76 Cb 0.38 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 1ugj h GLU 76 CO 0.00 0.79 0.00 0.25 0.05 0.00 0.00 179.01 180.10 1ugj n THR 77 N -3.23 0.00 -0.45 -1.06 -2.24 -0.99 -3.98 114.28 102.34 1ugj n THR 77 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1ugj n THR 77 Cb 1.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 1ugj n THR 77 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ugj n GLU 78 N 0.00 0.42 -1.64 -0.78 1.02 -1.26 -4.60 120.64 113.80 1ugj n GLU 78 Ca 0.00 -0.62 -0.30 0.00 -0.02 0.00 0.00 57.16 56.22 1ugj n GLU 78 Cb 0.00 -0.78 0.07 0.00 -0.02 0.00 0.00 31.44 30.72 1ugj n GLU 78 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1ugj s GLU 79 N -0.24 2.43 -0.10 3.49 8.01 -1.26 -4.41 118.70 126.63 1ugj s GLU 79 Ca 0.00 0.65 0.03 0.00 0.01 0.00 0.00 54.97 55.66 1ugj s GLU 79 Cb 0.00 -1.96 0.01 0.00 -4.31 0.00 0.00 34.13 27.87 1ugj s GLU 79 CO 0.00 -1.38 -0.19 -0.51 0.01 0.00 0.00 175.26 173.20 1ugj s LEU 80 N -5.63 1.89 0.05 1.80 1.43 0.13 -2.63 118.68 115.72 1ugj s LEU 80 Ca 0.60 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 53.15 1ugj s LEU 80 Cb -0.13 -1.18 -0.05 0.00 0.03 0.00 0.00 46.19 44.85 1ugj s LEU 80 CO 0.54 0.09 0.34 -0.55 0.23 0.00 0.00 176.35 176.99 1ugj s SER 81 N 0.61 6.57 -0.76 2.29 0.15 -0.87 0.90 113.70 122.59 1ugj s SER 81 Ca -0.14 0.67 -0.26 0.00 0.70 0.00 0.00 55.95 56.92 1ugj s SER 81 Cb -0.16 -2.13 0.02 0.00 -1.71 0.00 0.00 66.02 62.04 1ugj s SER 81 CO 0.04 0.20 1.39 -0.60 1.20 0.00 0.00 173.24 175.47 1ugj s ARG 82 N -1.89 3.15 0.00 5.44 3.52 0.12 -2.02 118.95 127.27 1ugj s ARG 82 Ca 0.31 -0.22 -0.17 0.00 -0.13 0.00 0.00 55.73 55.52 1ugj s ARG 82 Cb -0.14 -4.35 -0.09 0.00 -1.56 0.00 0.00 34.95 28.81 1ugj s ARG 82 CO 0.18 -2.26 0.91 1.25 -0.81 0.00 0.00 175.30 174.57 1ugj h LEU 83 N 13.55 -0.52 -8.30 -0.88 5.85 -1.75 -3.49 115.31 119.78 1ugj h LEU 83 Ca -0.22 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.41 1ugj h LEU 83 Cb 1.06 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 42.14 1ugj h LEU 83 CO 1.29 -0.26 -0.12 0.00 -0.34 0.00 0.00 178.44 179.01 1ugj s ALA 84 N -4.23 -0.01 0.00 1.25 0.00 -1.18 -5.04 121.76 112.55 1ugj s ALA 84 Ca -0.09 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1ugj s ALA 84 Cb 0.01 1.07 0.00 0.00 0.00 0.00 0.00 23.12 24.20 1ugj s ALA 84 CO 0.27 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.60 1ugj n GLY 85 N -0.43 0.83 3.39 0.00 0.00 -1.26 -2.56 105.19 105.15 1ugj n GLY 85 Ca -0.01 -1.54 -0.06 0.00 0.00 0.00 0.00 46.02 44.41 1ugj n GLY 85 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ugj s TYR 86 N 0.00 -1.01 -1.67 1.61 5.04 -1.25 -5.05 117.35 115.01 1ugj s TYR 86 Ca 0.00 1.80 0.00 0.00 -2.44 0.00 0.00 57.07 56.43 1ugj s TYR 86 Cb 0.00 0.48 0.00 0.00 0.35 0.00 0.00 41.96 42.79 1ugj s TYR 86 CO 0.00 -0.56 0.00 0.41 -1.34 0.00 0.00 175.55 174.06 1ugj n GLY 87 N 5.41 -0.66 3.69 8.97 0.00 -1.26 -4.72 105.19 116.63 1ugj n GLY 87 Ca -0.09 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 1ugj n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugj s PRO 88 N -0.67 4.37 0.27 1.61 0.04 -1.26 -4.90 135.00 134.46 1ugj s PRO 88 Ca 0.00 1.71 0.04 0.00 0.04 0.00 0.00 61.00 62.79 1ugj s PRO 88 Cb 0.00 -3.51 0.73 0.00 0.04 0.00 0.00 34.50 31.76 1ugj s PRO 88 CO 0.00 -0.40 1.33 -2.13 0.04 0.00 0.00 177.00 175.84 1ugj n ARG 89 N 4.87 -0.06 -4.15 4.56 0.63 -1.26 -4.45 116.66 116.81 1ugj n ARG 89 Ca 0.10 1.25 -0.09 0.00 -0.92 0.00 0.00 57.85 58.19 1ugj n ARG 89 Cb 0.46 -2.02 -0.10 0.00 0.45 0.00 0.00 32.46 31.25 1ugj n ARG 89 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1ugj s THR 90 N -5.71 0.17 0.08 5.15 2.01 -1.26 0.12 115.64 116.19 1ugj s THR 90 Ca -0.10 -1.90 0.01 0.00 0.31 0.00 0.00 61.69 60.01 1ugj s THR 90 Cb 0.25 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 1ugj s THR 90 CO 0.66 -0.56 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.28 1ugj s VAL 91 N -3.99 0.54 0.25 3.82 1.01 0.26 -4.95 120.40 117.33 1ugj s VAL 91 Ca 0.21 -1.74 0.03 0.00 0.00 0.00 0.00 61.98 60.48 1ugj s VAL 91 Cb 0.07 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 1ugj s VAL 91 CO -0.00 -0.82 0.05 0.42 0.00 0.00 0.00 175.10 174.75 1ugj s THR 92 N -3.28 0.85 -1.29 3.92 -4.23 -1.26 0.19 115.64 110.53 1ugj s THR 92 Ca 0.06 -2.01 0.22 0.00 -1.18 0.00 0.00 61.69 58.79 1ugj s THR 92 Cb 0.03 -2.51 0.33 0.00 1.34 0.00 0.00 72.50 71.69 1ugj s THR 92 CO -0.05 -0.16 1.73 -0.81 -0.54 0.00 0.00 174.62 174.79 1ugj n PRO 93 N -0.47 0.22 0.00 3.99 -0.04 -1.26 -2.01 135.00 135.44 1ugj n PRO 93 Ca -0.03 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 1ugj n PRO 93 Cb 0.65 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.92 1ugj n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ugj n ALA 94 N -1.35 3.35 -0.01 0.55 0.00 -1.26 -3.86 120.51 117.92 1ugj n ALA 94 Ca 0.09 -0.36 0.02 0.00 0.00 0.00 0.00 53.44 53.19 1ugj n ALA 94 Cb 0.20 -1.14 -0.07 0.00 0.00 0.00 0.00 19.45 18.45 1ugj n ALA 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ugj n MET 95 N -1.20 0.96 -2.06 0.00 2.81 -0.85 -4.98 117.12 111.79 1ugj n MET 95 Ca 0.08 -0.06 -0.42 0.00 -1.81 0.00 0.00 57.70 55.49 1ugj n MET 95 Cb 0.34 -1.21 -0.03 0.00 -0.71 0.00 0.00 33.22 31.61 1ugj n MET 95 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1ugj s VAL 96 N -2.50 3.25 -0.14 2.03 0.11 -0.93 0.11 120.40 122.33 1ugj s VAL 96 Ca -0.04 0.75 -0.19 0.00 -2.93 0.00 0.00 61.98 59.57 1ugj s VAL 96 Cb 0.05 -3.48 -0.17 0.00 -1.53 0.00 0.00 36.38 31.25 1ugj s VAL 96 CO 0.36 0.01 0.42 -0.08 -3.33 0.00 0.00 175.10 172.49 1ugj h GLU 97 N 7.77 0.00 -3.54 1.54 4.81 0.18 -3.45 114.58 121.89 1ugj h GLU 97 Ca -0.41 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.65 1ugj h GLU 97 Cb 1.20 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 30.34 1ugj h GLU 97 CO 0.91 0.69 -0.56 0.20 -0.73 0.00 0.00 179.01 179.52 1ugj s GLY 98 N -4.17 0.01 0.22 1.92 0.00 -1.19 -5.02 107.32 99.09 1ugj s GLY 98 Ca -0.16 0.02 0.08 0.00 0.00 0.00 0.00 44.72 44.67 1ugj s GLY 98 CO 0.47 -0.07 0.00 -0.26 0.00 0.00 0.00 173.10 173.25 1ugj s ILE 99 N -0.73 3.62 0.04 0.90 -4.36 -1.26 -1.93 121.20 117.48 1ugj s ILE 99 Ca -0.08 -1.63 -0.13 0.00 -0.26 0.00 0.00 60.65 58.54 1ugj s ILE 99 Cb -0.05 -2.87 0.02 0.00 1.25 0.00 0.00 42.46 40.81 1ugj s ILE 99 CO 0.01 -0.23 0.30 -0.31 0.24 0.00 0.00 174.94 174.94 1ugj s TYR 100 N -1.98 -0.10 0.39 1.37 1.51 0.36 -2.06 117.35 116.84 1ugj s TYR 100 Ca 0.29 -0.05 0.03 0.00 -1.01 0.00 0.00 57.07 56.34 1ugj s TYR 100 Cb -0.08 0.09 0.03 0.00 -0.11 0.00 0.00 41.96 41.89 1ugj s TYR 100 CO 0.19 -0.50 0.28 0.36 -1.11 0.00 0.00 175.55 174.78 1ugj n LYS 101 N 0.58 0.92 -3.90 -0.62 2.85 0.20 0.15 118.16 118.34 1ugj n LYS 101 Ca -0.19 -2.46 -0.30 0.00 -1.05 0.00 0.00 58.31 54.31 1ugj n LYS 101 Cb 0.59 0.28 -0.15 0.00 -0.65 0.00 0.00 35.03 35.10 1ugj n LYS 101 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 1ugj s TYR 102 N -1.96 2.36 -0.64 5.58 6.14 -1.26 -1.84 117.35 125.74 1ugj s TYR 102 Ca 0.22 -1.87 -0.23 0.00 0.64 0.00 0.00 57.07 55.83 1ugj s TYR 102 Cb -0.02 -1.76 0.06 0.00 0.42 0.00 0.00 41.96 40.66 1ugj s TYR 102 CO 0.14 -0.81 0.96 -0.80 0.64 0.00 0.00 175.55 175.68 1ugj s ASN 103 N 1.40 6.21 0.00 4.32 0.01 0.38 -4.84 114.94 122.41 1ugj s ASN 103 Ca 0.00 -0.84 0.24 0.00 -0.71 0.00 0.00 52.86 51.56 1ugj s ASN 103 Cb -0.18 -2.42 1.46 0.00 0.41 0.00 0.00 41.25 40.51 1ugj s ASN 103 CO -0.10 -1.40 1.92 -0.24 -1.51 0.00 0.00 177.10 175.77 1ugj n SER 104 N 7.68 0.00 -0.03 -1.22 2.88 -1.26 -1.14 113.62 120.53 1ugj n SER 104 Ca -0.03 -1.16 0.02 0.00 -1.33 0.00 0.00 58.87 56.37 1ugj n SER 104 Cb 0.46 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.81 1ugj n SER 104 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1ugj n ASP 105 N -0.90 1.69 -0.02 -3.46 2.03 -1.26 -4.47 116.55 110.17 1ugj n ASP 105 Ca 0.18 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.50 1ugj n ASP 105 Cb 0.08 1.33 -0.13 0.00 -0.72 0.00 0.00 41.12 41.69 1ugj n ASP 105 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ugj n ARG 106 N -2.20 0.65 -2.06 -0.67 1.74 -1.07 -4.99 116.66 108.07 1ugj n ARG 106 Ca -0.10 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 1ugj n ARG 106 Cb 0.60 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 1ugj n ARG 106 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1ugj n LYS 107 N -2.64 0.00 -3.91 5.56 4.81 -0.29 -5.03 118.16 116.66 1ugj n LYS 107 Ca -0.14 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.27 1ugj n LYS 107 Cb 0.83 -2.77 0.02 0.00 0.02 0.00 0.00 35.03 33.13 1ugj n LYS 107 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1ugj s ARG 108 N -4.16 1.26 0.40 1.64 3.03 -1.03 -5.06 118.95 115.03 1ugj s ARG 108 Ca 0.00 -0.82 0.07 0.00 2.03 0.00 0.00 55.73 57.01 1ugj s ARG 108 Cb 0.00 0.35 0.00 0.00 -1.03 0.00 0.00 34.95 34.27 1ugj s ARG 108 CO 0.00 -0.59 0.55 -0.06 -1.13 0.00 0.00 175.30 174.07 1ugj s PHE 109 N -2.07 2.91 0.14 5.89 0.40 -1.26 -0.47 117.98 123.52 1ugj s PHE 109 Ca 0.23 -0.32 -0.02 0.00 -0.60 0.00 0.00 56.93 56.22 1ugj s PHE 109 Cb -0.03 -2.27 -0.04 0.00 0.51 0.00 0.00 43.02 41.20 1ugj s PHE 109 CO 0.05 -0.31 0.09 0.99 0.70 0.00 0.00 175.22 176.74 1ugj s THR 110 N -2.31 0.09 0.12 0.64 2.01 -0.77 -4.83 115.64 110.60 1ugj s THR 110 Ca 0.52 -1.85 -0.07 0.00 0.31 0.00 0.00 61.69 60.60 1ugj s THR 110 Cb -0.10 -2.03 -0.06 0.00 0.01 0.00 0.00 72.50 70.32 1ugj s THR 110 CO 0.33 -0.43 0.40 -1.58 -0.69 0.00 0.00 174.62 172.64 1ugj s GLN 111 N -4.04 3.68 0.02 4.92 0.74 -1.26 0.61 119.66 124.33 1ugj s GLN 111 Ca 0.24 0.03 -0.13 0.00 0.05 0.00 0.00 55.36 55.55 1ugj s GLN 111 Cb 0.07 -2.89 -0.06 0.00 1.10 0.00 0.00 33.01 31.24 1ugj s GLN 111 CO 0.02 0.49 0.39 0.42 -0.55 0.00 0.00 175.29 176.06 1ugj s ILE 112 N -1.58 5.08 -1.41 -2.34 -1.09 -0.87 -4.79 121.20 114.20 1ugj s ILE 112 Ca 0.38 0.69 0.23 0.00 -2.23 0.00 0.00 60.65 59.72 1ugj s ILE 112 Cb -0.13 -3.67 0.39 0.00 -1.58 0.00 0.00 42.46 37.47 1ugj s ILE 112 CO 0.22 0.49 1.74 -0.81 -1.23 0.00 0.00 174.94 175.35 1ugj n PRO 113 N 1.54 0.31 -4.27 2.79 -0.04 -1.26 -4.74 135.00 129.33 1ugj n PRO 113 Ca -0.12 0.07 -0.25 0.00 -0.04 0.00 0.00 63.50 63.16 1ugj n PRO 113 Cb 0.52 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 1ugj n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ugj s ALA 114 N -2.59 3.09 -2.42 0.55 0.00 -1.26 -5.01 121.76 114.12 1ugj s ALA 114 Ca 0.21 -1.51 0.23 0.00 0.00 0.00 0.00 51.96 50.89 1ugj s ALA 114 Cb 0.15 -0.82 0.42 0.00 0.00 0.00 0.00 23.12 22.88 1ugj s ALA 114 CO 0.35 0.40 1.40 1.63 0.00 0.00 0.00 175.76 179.53 1ugj n LYS 115 N -0.34 2.50 -4.21 0.00 4.01 -1.26 -4.63 118.16 114.23 1ugj n LYS 115 Ca -0.09 -2.29 -0.23 0.00 -0.51 0.00 0.00 58.31 55.18 1ugj n LYS 115 Cb 0.57 -1.51 -0.07 0.00 -0.51 0.00 0.00 35.03 33.50 1ugj n LYS 115 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1ugj s THR 116 N -1.46 3.02 0.97 -0.18 2.01 -1.26 -4.91 115.64 113.83 1ugj s THR 116 Ca 0.38 -1.83 -0.11 0.00 0.31 0.00 0.00 61.69 60.45 1ugj s THR 116 Cb 0.23 -2.89 0.18 0.00 0.01 0.00 0.00 72.50 70.02 1ugj s THR 116 CO 0.31 -0.24 1.10 -0.04 -0.69 0.00 0.00 174.62 175.07 1ugj s MET 117 N -3.77 0.59 0.00 4.92 -1.94 -1.26 -5.00 119.30 112.85 1ugj s MET 117 Ca 0.35 1.21 0.00 0.00 -1.71 0.00 0.00 55.69 55.55 1ugj s MET 117 Cb -0.03 -1.70 0.00 0.00 2.01 0.00 0.00 34.83 35.11 1ugj s MET 117 CO 0.21 -2.81 0.00 0.45 -0.01 0.00 0.00 175.02 172.86 1ugj n SER 118 N -4.33 0.00 0.13 3.03 2.88 -1.26 -4.99 113.62 109.09 1ugj n SER 118 Ca 0.08 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.79 1ugj n SER 118 Cb 0.53 0.00 0.55 0.00 -0.75 0.00 0.00 64.21 64.54 1ugj n SER 118 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1ugj h MET 119 N 0.00 0.00 -1.65 -1.46 1.85 -1.97 0.19 114.93 111.89 1ugj h MET 119 Ca 0.00 0.00 -0.31 0.00 -0.61 0.00 0.00 59.70 58.78 1ugj h MET 119 Cb 0.00 0.00 -0.13 0.00 0.43 0.00 0.00 31.60 31.90 1ugj h MET 119 CO 0.00 0.00 0.34 0.43 -0.40 0.00 0.00 176.91 177.28 1ugj n SER 120 N -3.14 6.32 -3.97 1.39 7.64 -1.26 -4.82 113.62 115.78 1ugj n SER 120 Ca 0.07 -3.00 -0.15 0.00 1.01 0.00 0.00 58.87 56.80 1ugj n SER 120 Cb 0.84 -1.10 -0.14 0.00 -1.01 0.00 0.00 64.21 62.80 1ugj n SER 120 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ugj s VAL 121 N -1.95 0.39 0.00 0.44 1.01 0.66 -4.27 120.40 116.67 1ugj s VAL 121 Ca 0.33 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 62.03 1ugj s VAL 121 Cb 0.24 -0.36 0.13 0.00 0.00 0.00 0.00 36.38 36.39 1ugj s VAL 121 CO -0.04 0.01 0.95 0.47 0.00 0.00 0.00 175.10 176.49 1ugj n ASP 122 N 2.68 0.08 -3.65 3.32 9.92 0.39 -4.84 116.55 124.44 1ugj n ASP 122 Ca -0.15 -1.80 -0.02 0.00 -0.53 0.00 0.00 54.79 52.29 1ugj n ASP 122 Cb 0.58 -0.08 -0.07 0.00 -0.64 0.00 0.00 41.12 40.91 1ugj n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ugj s ALA 123 N 0.00 -2.24 0.22 2.24 0.00 0.39 -4.19 121.76 118.18 1ugj s ALA 123 Ca 0.10 1.67 -0.17 0.00 0.00 0.00 0.00 51.96 53.56 1ugj s ALA 123 Cb 0.12 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 21.45 1ugj s ALA 123 CO -0.05 -0.09 0.55 -0.59 0.00 0.00 0.00 175.76 175.57 1ugj s PHE 124 N -0.03 -0.05 -0.09 0.00 -0.71 -1.17 0.14 117.98 116.07 1ugj s PHE 124 Ca 0.08 -0.31 -0.04 0.00 -1.04 0.00 0.00 56.93 55.62 1ugj s PHE 124 Cb -0.05 0.41 0.04 0.00 -1.21 0.00 0.00 43.02 42.21 1ugj s PHE 124 CO -0.16 -0.98 0.20 0.95 -1.34 0.00 0.00 175.22 173.89 1ugj s THR 125 N -3.90 -0.04 0.58 -4.49 -4.23 -0.81 -3.53 115.64 99.20 1ugj s THR 125 Ca 0.12 0.16 -0.10 0.00 -1.18 0.00 0.00 61.69 60.68 1ugj s THR 125 Cb -0.02 -0.31 -0.04 0.00 1.34 0.00 0.00 72.50 73.47 1ugj s THR 125 CO 0.01 0.07 0.97 0.27 -0.54 0.00 0.00 174.62 175.39 1ugj s ILE 126 N 1.21 4.73 0.98 2.99 -4.36 -1.26 0.19 121.20 125.68 1ugj s ILE 126 Ca -0.09 0.78 -0.15 0.00 -0.26 0.00 0.00 60.65 60.92 1ugj s ILE 126 Cb -0.11 -3.85 -0.08 0.00 1.25 0.00 0.00 42.46 39.67 1ugj s ILE 126 CO -0.07 -1.03 -0.36 0.00 0.24 0.00 0.00 174.94 173.71 1ugj n GLN 127 N -2.50 -0.10 0.00 0.37 6.02 0.29 -4.55 117.38 116.90 1ugj n GLN 127 Ca 0.05 -0.01 -0.17 0.00 -0.01 0.00 0.00 57.00 56.85 1ugj n GLN 127 Cb 0.54 -1.31 -0.13 0.00 1.02 0.00 0.00 30.24 30.36 1ugj n GLN 127 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1ugj h GLY 128 N -1.20 0.29 -0.25 1.08 0.00 -1.95 -3.27 103.07 97.78 1ugj h GLY 128 Ca -0.44 -0.59 0.27 0.00 0.00 0.00 0.00 47.33 46.57 1ugj h GLY 128 CO 0.27 0.52 0.61 1.12 0.00 0.00 0.00 176.54 179.06 1ugj h HIS 129 N -0.42 0.93 0.07 5.60 2.07 -1.99 0.18 115.15 121.59 1ugj h HIS 129 Ca -0.07 0.03 0.03 0.00 -2.85 0.00 0.00 60.37 57.50 1ugj h HIS 129 Cb 1.29 -0.26 -0.04 0.00 2.57 0.00 0.00 27.41 30.96 1ugj h HIS 129 CO 0.19 0.01 -0.33 -0.07 -3.07 0.00 0.00 177.93 174.66 1ugj h LEU 130 N 0.49 -0.96 0.12 6.12 3.38 -1.92 0.31 115.31 122.85 1ugj h LEU 130 Ca 0.66 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.76 1ugj h LEU 130 Cb 1.39 0.37 -0.04 0.00 0.09 0.00 0.00 40.66 42.48 1ugj h LEU 130 CO -0.47 -0.40 -0.46 -0.50 0.09 0.00 0.00 178.44 176.69 1ugj h TRP 131 N -0.52 -1.34 -0.83 1.13 4.06 -0.77 -1.77 115.95 115.91 1ugj h TRP 131 Ca 0.04 0.03 0.14 0.00 2.06 0.00 0.00 58.89 61.16 1ugj h TRP 131 Cb 0.58 0.57 -0.14 0.00 -1.00 0.00 0.00 29.16 29.16 1ugj h TRP 131 CO -0.32 -0.53 -0.35 1.96 -3.56 0.00 0.00 178.44 175.64 1ugj h GLN 132 N -0.67 -0.06 -3.44 0.49 4.20 -0.91 -3.47 115.11 111.25 1ugj h GLN 132 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ugj h GLN 132 Cb 0.67 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1ugj h GLN 132 CO -0.24 -0.04 -0.76 0.43 -0.67 0.00 0.00 178.83 177.54 1ugj n SER 133 N -5.47 -7.79 0.08 1.46 7.64 0.11 -5.05 113.62 104.59 1ugj n SER 133 Ca 0.08 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1ugj n SER 133 Cb 0.39 -4.00 0.00 0.00 -1.01 0.00 0.00 64.21 59.58 1ugj n SER 133 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1ugj n LYS 134 N 0.82 0.00 -3.66 1.43 4.81 -1.26 -5.08 118.16 115.22 1ugj n LYS 134 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 1ugj n LYS 134 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 1ugj n LYS 134 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1ugj s LYS 135 N -1.87 0.44 0.44 1.64 2.47 -1.26 -5.17 119.74 116.43 1ugj s LYS 135 Ca 0.00 1.14 0.03 0.00 -1.56 0.00 0.00 55.97 55.58 1ugj s LYS 135 Cb 0.00 0.42 0.01 0.00 -1.46 0.00 0.00 37.83 36.80 1ugj s LYS 135 CO 0.00 -0.21 0.63 0.45 0.16 0.00 0.00 175.35 176.37 1ugj s SER 136 N 2.44 5.70 -0.31 1.43 0.15 -1.26 -5.09 113.70 116.76 1ugj s SER 136 Ca -0.05 -0.03 -0.09 0.00 0.70 0.00 0.00 55.95 56.48 1ugj s SER 136 Cb -0.11 -1.14 0.19 0.00 -1.71 0.00 0.00 66.02 63.25 1ugj s SER 136 CO -0.15 -0.76 1.01 -0.83 1.20 0.00 0.00 173.24 173.71 1ugj s GLY 137 N -4.28 -1.14 1.11 9.45 0.00 -1.26 -5.04 107.32 106.15 1ugj s GLY 137 Ca 0.51 1.75 -0.18 0.00 0.00 0.00 0.00 44.72 46.79 1ugj s GLY 137 CO 0.35 4.13 1.23 2.56 0.00 0.00 0.00 173.10 181.38 1ugj s PRO 138 N 2.61 -0.50 0.05 2.90 0.04 -1.26 -5.09 135.00 133.75 1ugj s PRO 138 Ca 0.23 -0.33 -0.27 0.00 0.04 0.00 0.00 61.00 60.67 1ugj s PRO 138 Cb -0.01 -1.71 0.10 0.00 0.04 0.00 0.00 34.50 32.92 1ugj s PRO 138 CO -0.20 -3.19 1.20 0.45 0.04 0.00 0.00 177.00 175.30 1ugj s SER 139 N -4.47 -0.02 0.45 6.66 0.15 -1.26 -5.16 113.70 110.05 1ugj s SER 139 Ca 0.74 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.07 1ugj s SER 139 Cb -0.05 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1ugj s SER 139 CO 0.55 -0.51 0.00 -0.24 1.20 0.00 0.00 173.24 174.24 1ugj n SER 140 N -0.91 -5.85 0.00 5.45 2.88 -1.26 -5.26 113.62 108.68 1ugj n SER 140 Ca -0.02 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1ugj n SER 140 Cb 0.60 -3.56 0.00 0.00 -0.75 0.00 0.00 64.21 60.50 1ugj n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42