#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 6.17 0.38 1.61 0.15 -1.26 -5.12 113.70 115.64 1ugj s SER 2 Ca 0.00 0.04 0.03 0.00 0.70 0.00 0.00 55.95 56.72 1ugj s SER 2 Cb 0.00 -1.79 -0.01 0.00 -1.71 0.00 0.00 66.02 62.51 1ugj s SER 2 CO 0.00 -0.03 0.56 -0.44 1.20 0.00 0.00 173.24 174.53 1ugj s SER 3 N -3.75 5.97 -0.47 5.45 0.01 -1.26 -4.96 113.70 114.69 1ugj s SER 3 Ca 0.34 0.11 -0.41 0.00 1.31 0.00 0.00 55.95 57.30 1ugj s SER 3 Cb -0.09 -1.50 -0.17 0.00 0.21 0.00 0.00 66.02 64.47 1ugj s SER 3 CO 0.28 -0.51 2.17 0.61 0.41 0.00 0.00 173.24 176.20 1ugj n GLY 4 N -1.84 0.03 3.72 3.44 0.00 -1.26 -4.82 105.19 104.46 1ugj n GLY 4 Ca -0.01 1.06 -0.01 0.00 0.00 0.00 0.00 46.02 47.07 1ugj n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ugj s SER 5 N 6.49 -0.10 1.04 1.61 1.04 -1.26 -5.16 113.70 117.37 1ugj s SER 5 Ca 1.17 -0.30 -0.21 0.00 0.48 0.00 0.00 55.95 57.10 1ugj s SER 5 Cb -1.30 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 65.11 1ugj s SER 5 CO 0.60 -0.61 -0.57 -1.20 0.98 0.00 0.00 173.24 172.45 1ugj n SER 6 N -0.57 -3.03 -3.78 7.02 7.64 -1.26 -4.35 113.62 115.28 1ugj n SER 6 Ca -0.07 0.02 -0.32 0.00 1.01 0.00 0.00 58.87 59.52 1ugj n SER 6 Cb 0.61 -0.81 -0.14 0.00 -1.01 0.00 0.00 64.21 62.86 1ugj n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugj n GLY 7 N 2.63 -0.41 3.76 0.23 0.00 -1.26 -4.81 105.19 105.32 1ugj n GLY 7 Ca 0.00 0.79 -0.40 0.00 0.00 0.00 0.00 46.02 46.41 1ugj n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugj s PRO 8 N 7.25 4.66 0.24 1.61 0.04 -1.26 -4.84 135.00 142.71 1ugj s PRO 8 Ca 1.14 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.95 1ugj s PRO 8 Cb -1.00 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 30.34 1ugj s PRO 8 CO 0.42 0.24 0.00 0.54 0.04 0.00 0.00 177.00 178.25 1ugj n ARG 9 N 1.26 -2.03 -0.06 4.56 1.74 -1.26 -4.91 116.66 115.95 1ugj n ARG 9 Ca -0.01 1.35 0.00 0.00 -0.77 0.00 0.00 57.85 58.42 1ugj n ARG 9 Cb 0.45 -2.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.41 1ugj n ARG 9 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ugj n LEU 10 N -3.29 0.00 -4.82 0.55 7.99 -1.26 -5.05 117.00 111.13 1ugj n LEU 10 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 56.01 55.69 1ugj n LEU 10 Cb 0.46 0.00 0.05 0.00 -0.11 0.00 0.00 43.42 43.82 1ugj n LEU 10 CO 0.01 -0.37 0.71 -0.31 -1.51 0.00 0.00 177.39 175.92 1ugj s TYR 11 N -0.57 3.09 0.00 -1.77 2.02 -1.26 -5.06 117.35 113.79 1ugj s TYR 11 Ca 0.00 1.43 0.00 0.00 -0.37 0.00 0.00 57.07 58.13 1ugj s TYR 11 Cb 0.00 -2.90 0.00 0.00 -0.40 0.00 0.00 41.96 38.66 1ugj s TYR 11 CO 0.00 -1.24 0.00 1.17 -1.57 0.00 0.00 175.55 173.91 1ugj n LYS 12 N -3.05 0.00 -2.52 -0.62 4.81 -1.26 -5.17 118.16 110.36 1ugj n LYS 12 Ca 0.08 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.20 1ugj n LYS 12 Cb 0.53 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.54 1ugj n LYS 12 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1ugj s GLU 13 N -2.00 3.98 0.00 1.64 -1.05 -1.26 -5.05 118.70 114.96 1ugj s GLU 13 Ca 0.00 0.93 0.00 0.00 -0.15 0.00 0.00 54.97 55.75 1ugj s GLU 13 Cb 0.00 -2.17 0.00 0.00 -0.44 0.00 0.00 34.13 31.52 1ugj s GLU 13 CO 0.00 -0.20 0.00 -0.35 0.95 0.00 0.00 175.26 175.66 1ugj n PRO 14 N -1.39 0.62 0.00 -4.83 -0.04 -1.26 -5.07 135.00 123.03 1ugj n PRO 14 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1ugj n PRO 14 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1ugj n PRO 14 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ugj n SER 15 N -0.76 0.00 -4.29 3.54 2.88 -1.26 -5.00 113.62 108.74 1ugj n SER 15 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 1ugj n SER 15 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 1ugj n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ugj s ALA 16 N -2.44 2.27 -0.30 -1.46 0.00 -1.26 -5.09 121.76 113.47 1ugj s ALA 16 Ca 0.00 -1.01 -0.15 0.00 0.00 0.00 0.00 51.96 50.80 1ugj s ALA 16 Cb 0.00 -0.79 0.18 0.00 0.00 0.00 0.00 23.12 22.50 1ugj s ALA 16 CO 0.00 0.38 1.07 0.21 0.00 0.00 0.00 175.76 177.42 1ugj s LYS 17 N -0.04 0.20 0.02 0.00 2.47 -1.26 -5.17 119.74 115.97 1ugj s LYS 17 Ca -0.07 0.47 0.01 0.00 -1.56 0.00 0.00 55.97 54.82 1ugj s LYS 17 Cb -0.15 0.28 -0.02 0.00 -1.46 0.00 0.00 37.83 36.48 1ugj s LYS 17 CO 0.05 -0.12 -0.04 -1.54 0.16 0.00 0.00 175.35 173.86 1ugj s SER 18 N 2.51 0.39 -0.34 1.43 1.04 -1.26 -4.81 113.70 112.67 1ugj s SER 18 Ca -0.01 -0.42 0.13 0.00 0.48 0.00 0.00 55.95 56.13 1ugj s SER 18 Cb -0.06 0.06 0.46 0.00 0.10 0.00 0.00 66.02 66.58 1ugj s SER 18 CO -0.15 -0.21 1.07 -0.46 0.98 0.00 0.00 173.24 174.47 1ugj n ASN 19 N 1.84 3.04 -0.07 7.02 6.94 -0.48 -4.84 115.26 128.71 1ugj n ASN 19 Ca -0.21 -3.04 -0.14 0.00 -0.02 0.00 0.00 54.58 51.17 1ugj n ASN 19 Cb 0.56 -0.46 -0.11 0.00 -2.36 0.00 0.00 39.78 37.40 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 2.65 0.00 0.00 -3.83 3.64 -1.92 -3.14 116.57 113.96 1ugj h LYS 20 Ca 0.09 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1ugj h LYS 20 Cb 1.19 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1ugj h LYS 20 CO 0.58 0.89 -0.04 0.74 -2.27 0.00 0.00 179.45 179.35 1ugj h PHE 21 N -1.00 0.00 0.00 1.91 0.04 -1.96 0.35 116.94 116.28 1ugj h PHE 21 Ca -0.05 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.61 1ugj h PHE 21 Cb 0.93 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.07 1ugj h PHE 21 CO 0.22 0.04 -0.55 0.82 -0.60 0.00 0.00 178.31 178.24 1ugj h ILE 22 N 0.00 1.10 0.05 -0.55 2.04 -1.91 -3.18 117.51 115.06 1ugj h ILE 22 Ca -0.00 -2.12 -0.26 0.00 1.00 0.00 0.00 64.86 63.49 1ugj h ILE 22 Cb 0.14 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 1ugj h ILE 22 CO 0.00 0.54 -1.37 0.40 0.00 0.00 0.00 178.15 177.72 1ugj h ILE 23 N 0.00 0.93 -1.00 -0.67 1.08 -0.89 -3.13 117.51 113.83 1ugj h ILE 23 Ca -0.01 -2.27 0.28 0.00 -0.39 0.00 0.00 64.86 62.47 1ugj h ILE 23 Cb 1.20 2.46 -0.19 0.00 -3.07 0.00 0.00 36.82 37.22 1ugj h ILE 23 CO 0.07 0.54 0.04 1.41 -0.69 0.00 0.00 178.15 179.51 1ugj n HIS 24 N -4.14 0.65 -0.03 1.37 8.25 1.00 0.94 115.22 123.26 1ugj n HIS 24 Ca -0.29 1.20 -0.13 0.00 -0.26 0.00 0.00 57.72 58.24 1ugj n HIS 24 Cb 0.79 -1.26 -0.09 0.00 1.12 0.00 0.00 29.99 30.55 1ugj n HIS 24 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 1ugj h ASN 25 N 0.00 0.16 -1.21 0.41 2.35 -1.70 -2.79 115.58 112.80 1ugj h ASN 25 Ca 0.61 -0.54 0.36 0.00 -0.55 0.00 0.00 56.30 56.18 1ugj h ASN 25 Cb 1.28 -0.05 -0.10 0.00 0.05 0.00 0.00 38.32 39.50 1ugj h ASN 25 CO -0.93 0.67 0.80 0.00 -1.65 0.00 0.00 177.43 176.32 1ugj h ALA 26 N 0.49 2.63 0.08 -0.83 0.00 0.63 1.61 119.26 123.88 1ugj h ALA 26 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ugj h ALA 26 Cb 0.64 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ugj h ALA 26 CO 0.02 -1.12 -0.04 -0.07 0.00 0.00 0.00 179.25 178.04 1ugj h LEU 27 N 0.20 -0.09 0.00 0.00 3.38 -0.31 -2.36 115.31 116.13 1ugj h LEU 27 Ca 0.69 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1ugj h LEU 27 Cb 2.13 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.90 1ugj h LEU 27 CO -0.29 0.37 0.00 -1.20 0.09 0.00 0.00 178.44 177.41 1ugj n SER 28 N -4.92 0.00 -0.05 -0.43 7.64 0.19 0.10 113.62 116.15 1ugj n SER 28 Ca -0.08 -0.53 -0.17 0.00 1.01 0.00 0.00 58.87 59.09 1ugj n SER 28 Cb 0.25 -0.08 -0.13 0.00 -1.01 0.00 0.00 64.21 63.23 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 0.13 0.00 1.43 3.86 0.24 -3.43 115.15 117.38 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 0.06 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1ugj h HIS 29 CO 0.00 1.20 0.00 0.00 0.86 0.00 0.00 177.93 179.99 1ugj n LEU 32 N -4.94 0.04 -4.46 0.00 4.77 0.12 -3.37 117.00 109.16 1ugj n LEU 32 Ca 0.40 -3.27 -0.34 0.00 -0.03 0.00 0.00 56.01 52.77 1ugj n LEU 32 Cb 1.47 0.28 -0.13 0.00 -2.33 0.00 0.00 43.42 42.70 1ugj n LEU 32 CO 0.12 1.48 -0.37 0.00 -1.33 0.00 0.00 177.39 177.28 1ugj s ALA 33 N -1.82 2.91 0.00 -1.18 0.00 -0.34 -4.46 121.76 116.88 1ugj s ALA 33 Ca 0.21 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1ugj s ALA 33 Cb 0.40 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 22.01 1ugj s ALA 33 CO -0.06 0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.26 1ugj n GLY 34 N 3.66 -0.09 0.13 0.00 0.00 -1.26 -4.77 105.19 102.85 1ugj n GLY 34 Ca -0.18 -1.61 -0.18 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.05 0.71 -0.19 1.61 3.00 -1.26 -3.47 118.16 118.51 1ugj n LYS 35 Ca 0.00 0.23 -0.07 0.00 -0.00 0.00 0.00 58.31 58.47 1ugj n LYS 35 Cb 0.00 -1.68 0.02 0.00 0.00 0.00 0.00 35.03 33.38 1ugj n LYS 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1ugj h VAL 36 N 0.04 1.19 -0.69 3.15 2.07 -2.00 -1.38 116.25 118.63 1ugj h VAL 36 Ca -0.44 -0.49 -0.36 0.00 0.82 0.00 0.00 66.70 66.23 1ugj h VAL 36 Cb 2.02 0.51 -0.21 0.00 -1.52 0.00 0.00 31.29 32.09 1ugj h VAL 36 CO 0.05 0.21 0.46 0.59 0.02 0.00 0.00 177.57 178.90 1ugj n ASN 37 N -4.60 3.63 0.09 0.57 3.02 -1.26 -4.22 115.26 112.49 1ugj n ASN 37 Ca 0.03 -3.12 -0.22 0.00 -0.03 0.00 0.00 54.58 51.24 1ugj n ASN 37 Cb 0.09 -0.74 -0.14 0.00 -0.61 0.00 0.00 39.78 38.38 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 0.72 0.53 -0.05 3.52 4.81 -1.28 -0.73 114.58 122.10 1ugj h GLU 38 Ca 0.44 -0.77 -0.22 0.00 -0.13 0.00 0.00 59.36 58.68 1ugj h GLU 38 Cb 2.25 0.27 0.02 0.00 0.63 0.00 0.00 28.75 31.91 1ugj h GLU 38 CO 0.78 1.35 -0.83 -1.00 -0.73 0.00 0.00 179.01 178.58 1ugj h PRO 39 N 0.09 0.65 0.22 0.92 0.13 -1.76 -3.18 132.00 129.07 1ugj h PRO 39 Ca -0.19 -0.63 -0.01 0.00 -0.87 0.00 0.00 66.00 64.30 1ugj h PRO 39 Cb 1.88 0.16 0.00 0.00 0.13 0.00 0.00 31.00 33.17 1ugj h PRO 39 CO 0.22 1.24 -0.11 0.37 -0.23 0.00 0.00 178.00 179.49 1ugj h GLN 40 N 0.31 -0.29 -0.88 0.86 4.15 -1.82 -2.87 115.11 114.58 1ugj h GLN 40 Ca -0.09 0.02 0.14 0.00 0.77 0.00 0.00 58.65 59.49 1ugj h GLN 40 Cb 1.49 0.06 -0.14 0.00 0.21 0.00 0.00 27.48 29.10 1ugj h GLN 40 CO 0.17 0.09 -0.32 1.17 -1.93 0.00 0.00 178.83 178.01 1ugj n LYS 41 N -5.01 -0.19 0.01 1.69 4.81 -0.28 0.15 118.16 119.34 1ugj n LYS 41 Ca -0.08 1.35 -0.10 0.00 -0.87 0.00 0.00 58.31 58.61 1ugj n LYS 41 Cb 0.26 -2.01 -0.03 0.00 0.02 0.00 0.00 35.03 33.27 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 -0.49 -0.96 3.14 2.35 -1.58 0.44 115.58 118.48 1ugj h ASN 42 Ca 0.32 0.09 0.19 0.00 -0.55 0.00 0.00 56.30 56.35 1ugj h ASN 42 Cb 0.54 0.23 -0.11 0.00 0.05 0.00 0.00 38.32 39.03 1ugj h ASN 42 CO -0.87 -0.21 0.55 0.03 -1.65 0.00 0.00 177.43 175.27 1ugj h ARG 43 N -0.21 0.64 0.30 0.81 2.47 0.17 0.93 114.38 119.49 1ugj h ARG 43 Ca 0.09 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 1ugj h ARG 43 Cb 0.34 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1ugj h ARG 43 CO -0.23 0.42 -0.14 0.82 0.56 0.00 0.00 179.97 181.40 1ugj h ILE 44 N 0.66 0.64 -0.87 2.04 1.08 0.10 -0.31 117.51 120.85 1ugj h ILE 44 Ca 0.57 -0.72 0.22 0.00 -0.39 0.00 0.00 64.86 64.53 1ugj h ILE 44 Cb 0.93 0.98 -0.16 0.00 -3.07 0.00 0.00 36.82 35.50 1ugj h ILE 44 CO -0.41 0.13 0.02 -0.07 -0.69 0.00 0.00 178.15 177.12 1ugj h LEU 45 N -0.84 -0.41 0.62 1.44 3.38 0.94 0.36 115.31 120.80 1ugj h LEU 45 Ca -0.04 0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1ugj h LEU 45 Cb 0.52 0.41 0.01 0.00 0.09 0.00 0.00 40.66 41.68 1ugj h LEU 45 CO 0.07 -0.25 -0.30 -0.33 0.09 0.00 0.00 178.44 177.72 1ugj h GLU 46 N 0.07 -0.80 -0.97 1.13 4.39 -0.81 -1.02 114.58 116.56 1ugj h GLU 46 Ca 0.50 0.05 0.26 0.00 0.34 0.00 0.00 59.36 60.52 1ugj h GLU 46 Cb 0.95 0.18 -0.18 0.00 -0.10 0.00 0.00 28.75 29.60 1ugj h GLU 46 CO -0.79 -0.53 0.01 0.93 -1.16 0.00 0.00 179.01 177.47 1ugj h GLU 47 N -1.01 0.02 -0.51 2.33 4.39 0.32 1.76 114.58 121.89 1ugj h GLU 47 Ca -0.08 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 1ugj h GLU 47 Cb 0.64 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 1ugj h GLU 47 CO 0.14 0.01 0.26 0.82 -1.16 0.00 0.00 179.01 179.08 1ugj h ILE 48 N 0.02 1.19 0.00 3.13 2.04 -0.28 1.22 117.51 124.83 1ugj h ILE 48 Ca 0.58 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1ugj h ILE 48 Cb 1.17 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1ugj h ILE 48 CO -0.91 0.20 0.00 -0.33 0.00 0.00 0.00 178.15 177.11 1ugj h GLU 49 N 0.67 0.00 0.00 2.37 4.39 0.33 -2.37 114.58 119.98 1ugj h GLU 49 Ca 0.18 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1ugj h GLU 49 Cb 0.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1ugj h GLU 49 CO -0.02 0.00 -1.65 0.36 -1.16 0.00 0.00 179.01 176.54 1ugj n LYS 50 N -2.52 0.64 -2.92 2.33 2.85 0.48 -4.89 118.16 114.12 1ugj n LYS 50 Ca 0.02 -0.08 -0.40 0.00 -1.05 0.00 0.00 58.31 56.80 1ugj n LYS 50 Cb 0.30 -1.63 -0.05 0.00 -0.65 0.00 0.00 35.03 33.00 1ugj n LYS 50 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1ugj s SER 51 N -4.84 7.22 -0.17 -5.58 0.15 0.41 -4.93 113.70 105.96 1ugj s SER 51 Ca -0.05 1.47 0.07 0.00 0.70 0.00 0.00 55.95 58.14 1ugj s SER 51 Cb 0.12 -2.49 0.48 0.00 -1.71 0.00 0.00 66.02 62.43 1ugj s SER 51 CO 0.87 -0.07 1.31 1.17 1.20 0.00 0.00 173.24 177.71 1ugj n LYS 52 N 3.19 3.08 -2.76 5.44 4.81 -1.26 -4.90 118.16 125.77 1ugj n LYS 52 Ca -0.00 -1.88 -0.29 0.00 -0.87 0.00 0.00 58.31 55.26 1ugj n LYS 52 Cb 0.50 -1.92 -0.02 0.00 0.02 0.00 0.00 35.03 33.61 1ugj n LYS 52 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ugj s ALA 53 N -2.05 3.36 -0.67 3.14 0.00 -1.26 -4.99 121.76 119.29 1ugj s ALA 53 Ca 0.33 -0.29 0.07 0.00 0.00 0.00 0.00 51.96 52.07 1ugj s ALA 53 Cb 0.26 -2.68 0.01 0.00 0.00 0.00 0.00 23.12 20.71 1ugj s ALA 53 CO 0.09 -0.13 0.56 0.09 0.00 0.00 0.00 175.76 176.37 1ugj n ASN 54 N -1.62 1.14 -4.07 0.00 3.02 -1.26 -4.95 115.26 107.52 1ugj n ASN 54 Ca 0.02 -1.07 -0.29 0.00 -0.03 0.00 0.00 54.58 53.21 1ugj n ASN 54 Cb 0.54 0.34 -0.17 0.00 -0.61 0.00 0.00 39.78 39.89 1ugj n ASN 54 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1ugj s HIS 55 N -0.92 2.08 -0.05 3.10 2.46 -1.26 -1.39 115.29 119.31 1ugj s HIS 55 Ca 0.06 -1.00 -0.01 0.00 0.47 0.00 0.00 55.06 54.58 1ugj s HIS 55 Cb 0.05 -1.49 0.03 0.00 -0.13 0.00 0.00 32.58 31.04 1ugj s HIS 55 CO 0.14 -0.51 0.01 -0.06 -2.47 0.00 0.00 174.74 171.86 1ugj s PHE 56 N 0.99 0.41 0.34 3.88 0.08 -1.26 -2.26 117.98 120.16 1ugj s PHE 56 Ca -0.06 -0.02 0.08 0.00 0.12 0.00 0.00 56.93 57.05 1ugj s PHE 56 Cb -0.15 -0.58 -0.04 0.00 -0.57 0.00 0.00 43.02 41.68 1ugj s PHE 56 CO -0.02 -0.22 0.16 -0.51 -0.10 0.00 0.00 175.22 174.53 1ugj s LEU 57 N 1.61 3.31 -0.12 -0.37 1.02 0.05 -4.80 118.68 119.37 1ugj s LEU 57 Ca -0.01 -0.74 -0.00 0.00 0.02 0.00 0.00 54.13 53.40 1ugj s LEU 57 Cb -0.13 -1.80 -0.02 0.00 0.02 0.00 0.00 46.19 44.26 1ugj s LEU 57 CO -0.03 -0.31 -0.12 -0.63 0.02 0.00 0.00 176.35 175.28 1ugj s ILE 58 N -2.41 3.16 -0.40 -0.59 1.01 -1.24 -2.82 121.20 117.91 1ugj s ILE 58 Ca 0.38 -0.63 -0.15 0.00 0.00 0.00 0.00 60.65 60.25 1ugj s ILE 58 Cb -0.03 -2.32 0.02 0.00 0.01 0.00 0.00 42.46 40.13 1ugj s ILE 58 CO 0.23 0.53 0.30 -0.22 0.00 0.00 0.00 174.94 175.78 1ugj s LEU 59 N 0.21 5.04 0.73 2.97 2.96 -0.99 -2.69 118.68 126.91 1ugj s LEU 59 Ca -0.07 -0.85 -0.01 0.00 -0.22 0.00 0.00 54.13 52.98 1ugj s LEU 59 Cb -0.15 -2.16 0.13 0.00 0.50 0.00 0.00 46.19 44.50 1ugj s LEU 59 CO 0.05 -0.43 1.01 -0.36 -1.32 0.00 0.00 176.35 175.29 1ugj s PHE 60 N 1.70 1.59 0.16 5.38 0.08 -1.25 0.15 117.98 125.79 1ugj s PHE 60 Ca 0.05 -0.25 0.00 0.00 0.12 0.00 0.00 56.93 56.86 1ugj s PHE 60 Cb -0.19 -3.03 -0.00 0.00 -0.57 0.00 0.00 43.02 39.23 1ugj s PHE 60 CO 0.10 -1.74 1.38 0.00 -0.10 0.00 0.00 175.22 174.86 1ugj h ARG 61 N -0.57 0.28 0.00 0.44 2.47 -1.87 -3.44 114.38 111.69 1ugj h ARG 61 Ca -0.37 -0.29 0.00 0.00 -1.26 0.00 0.00 59.98 58.07 1ugj h ARG 61 Cb 1.27 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.66 1ugj h ARG 61 CO 0.40 0.98 0.00 -3.47 0.56 0.00 0.00 179.97 178.44 1ugj n ASP 62 N -3.72 -0.87 -3.22 7.04 -0.08 -1.26 -5.05 116.55 109.39 1ugj n ASP 62 Ca -0.04 0.27 0.04 0.00 -1.51 0.00 0.00 54.79 53.55 1ugj n ASP 62 Cb 0.79 1.00 -0.02 0.00 2.34 0.00 0.00 41.12 45.23 1ugj n ASP 62 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1ugj s SER 63 N -3.49 -0.87 -1.59 1.67 0.01 -1.26 -4.72 113.70 103.44 1ugj s SER 63 Ca 0.00 0.67 -0.03 0.00 1.31 0.00 0.00 55.95 57.90 1ugj s SER 63 Cb 0.00 1.78 0.03 0.00 0.21 0.00 0.00 66.02 68.04 1ugj s SER 63 CO 0.00 -0.16 0.09 -1.54 0.41 0.00 0.00 173.24 172.03 1ugj n SER 64 N 5.38 0.57 0.00 2.44 3.41 -1.26 -4.86 113.62 119.30 1ugj n SER 64 Ca -0.05 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 1ugj n SER 64 Cb 0.52 -1.62 0.00 0.00 -0.26 0.00 0.00 64.21 62.85 1ugj n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ugj s GLN 66 N 0.00 0.17 0.27 0.00 -0.21 -1.26 -4.95 119.66 113.67 1ugj s GLN 66 Ca 0.00 0.01 -0.29 0.00 0.02 0.00 0.00 55.36 55.10 1ugj s GLN 66 Cb 0.00 -0.26 -0.14 0.00 1.00 0.00 0.00 33.01 33.61 1ugj s GLN 66 CO 0.00 -0.04 1.13 0.34 -2.12 0.00 0.00 175.29 174.60 1ugj n PHE 67 N 3.52 1.52 -0.00 0.91 -0.00 -1.22 -2.85 117.46 119.35 1ugj n PHE 67 Ca -0.19 0.64 -0.00 0.00 -0.00 0.00 0.00 57.45 57.90 1ugj n PHE 67 Cb 0.55 -2.30 -0.00 0.00 -0.00 0.00 0.00 39.48 37.73 1ugj n PHE 67 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1ugj n ARG 68 N 1.06 0.01 -3.64 -4.13 5.12 0.39 -4.90 116.66 110.56 1ugj n ARG 68 Ca 0.10 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.95 1ugj n ARG 68 Cb 0.31 -0.90 -0.07 0.00 -1.16 0.00 0.00 32.46 30.64 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 -2.01 -2.05 0.39 7.54 0.00 -1.21 -4.12 121.76 120.30 1ugj s ALA 69 Ca -0.01 1.85 -0.12 0.00 0.00 0.00 0.00 51.96 53.68 1ugj s ALA 69 Cb 0.00 -1.53 -0.07 0.00 0.00 0.00 0.00 23.12 21.52 1ugj s ALA 69 CO 0.01 -0.21 0.77 -1.17 0.00 0.00 0.00 175.76 175.16 1ugj s LEU 70 N 0.24 3.88 -0.01 0.00 2.96 -1.02 -2.36 118.68 122.37 1ugj s LEU 70 Ca 0.04 1.21 -0.11 0.00 -0.22 0.00 0.00 54.13 55.04 1ugj s LEU 70 Cb -0.05 -4.07 0.01 0.00 0.50 0.00 0.00 46.19 42.58 1ugj s LEU 70 CO -0.09 -0.36 0.22 -0.31 -1.32 0.00 0.00 176.35 174.50 1ugj s TYR 71 N -2.27 -0.08 -0.17 5.38 1.51 -1.13 -2.65 117.35 117.94 1ugj s TYR 71 Ca 0.53 0.09 -0.05 0.00 -1.01 0.00 0.00 57.07 56.62 1ugj s TYR 71 Cb -0.10 0.03 -0.03 0.00 -0.11 0.00 0.00 41.96 41.75 1ugj s TYR 71 CO 0.27 -0.33 -0.01 0.95 -1.11 0.00 0.00 175.55 175.32 1ugj s THR 72 N -1.31 4.09 0.12 -0.71 -4.23 -0.23 -0.77 115.64 112.61 1ugj s THR 72 Ca -0.14 -0.28 -0.27 0.00 -1.18 0.00 0.00 61.69 59.82 1ugj s THR 72 Cb -0.06 -2.82 -0.07 0.00 1.34 0.00 0.00 72.50 70.89 1ugj s THR 72 CO 0.03 0.47 0.84 -0.22 -0.54 0.00 0.00 174.62 175.20 1ugj s LEU 73 N 0.49 4.53 -0.26 4.79 2.96 -0.96 -0.23 118.68 130.00 1ugj s LEU 73 Ca -0.02 1.65 -0.27 0.00 -0.22 0.00 0.00 54.13 55.28 1ugj s LEU 73 Cb -0.14 -3.38 0.00 0.00 0.50 0.00 0.00 46.19 43.18 1ugj s LEU 73 CO 0.02 0.07 0.93 -0.44 -1.32 0.00 0.00 176.35 175.62 1ugj s SER 74 N -0.52 6.91 0.17 3.68 0.01 0.03 -4.53 113.70 119.46 1ugj s SER 74 Ca 0.40 1.10 0.21 0.00 1.31 0.00 0.00 55.95 58.97 1ugj s SER 74 Cb -0.23 -2.48 0.87 0.00 0.21 0.00 0.00 66.02 64.39 1ugj s SER 74 CO 0.27 -0.64 1.65 0.61 0.41 0.00 0.00 173.24 175.54 1ugj n GLY 75 N 3.69 -1.24 0.07 3.44 0.00 -1.26 -2.22 105.19 107.67 1ugj n GLY 75 Ca 0.08 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 0.04 0.00 1.61 9.09 -1.95 -3.47 114.58 119.90 1ugj h GLU 76 Ca 0.00 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.35 1ugj h GLU 76 Cb 0.36 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 1ugj h GLU 76 CO 0.00 0.92 0.00 0.25 0.05 0.00 0.00 179.01 180.23 1ugj n THR 77 N -3.31 0.00 -0.11 -1.06 -2.24 -0.94 -5.06 114.28 101.55 1ugj n THR 77 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1ugj n THR 77 Cb 0.98 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 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 0.14 -2.18 -0.78 1.02 -1.26 -4.69 120.64 112.88 1ugj n GLU 78 Ca 0.00 -0.37 -0.28 0.00 -0.02 0.00 0.00 57.16 56.49 1ugj n GLU 78 Cb 0.00 -0.86 0.04 0.00 -0.02 0.00 0.00 31.44 30.60 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 -0.13 2.82 0.03 3.49 8.01 -1.26 -4.15 118.70 127.51 1ugj s GLU 79 Ca 0.00 0.15 0.00 0.00 0.01 0.00 0.00 54.97 55.13 1ugj s GLU 79 Cb 0.00 -2.16 0.00 0.00 -4.31 0.00 0.00 34.13 27.66 1ugj s GLU 79 CO 0.00 -0.89 0.01 1.28 0.01 0.00 0.00 175.26 175.68 1ugj n LEU 80 N -2.78 0.00 -3.71 1.80 4.77 0.20 -0.79 117.00 116.49 1ugj n LEU 80 Ca 0.06 -0.15 -0.11 0.00 -0.03 0.00 0.00 56.01 55.77 1ugj n LEU 80 Cb 0.58 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.57 1ugj n LEU 80 CO 0.55 -0.19 0.06 -0.55 -1.33 0.00 0.00 177.39 175.92 1ugj s SER 81 N -1.16 -0.47 -0.61 -1.43 0.15 0.68 -3.90 113.70 106.96 1ugj s SER 81 Ca 0.01 0.85 -0.26 0.00 0.70 0.00 0.00 55.95 57.25 1ugj s SER 81 Cb -0.00 0.78 -0.03 0.00 -1.71 0.00 0.00 66.02 65.06 1ugj s SER 81 CO 0.01 -0.17 1.96 -0.60 1.20 0.00 0.00 173.24 175.63 1ugj s ARG 82 N 0.94 2.53 -0.03 5.44 3.52 0.28 -1.07 118.95 130.57 1ugj s ARG 82 Ca -0.06 0.69 -0.09 0.00 -0.13 0.00 0.00 55.73 56.14 1ugj s ARG 82 Cb -0.06 -4.45 -0.05 0.00 -1.56 0.00 0.00 34.95 28.83 1ugj s ARG 82 CO -0.08 -2.86 0.47 1.25 -0.81 0.00 0.00 175.30 173.27 1ugj h LEU 83 N 17.05 -0.28 -8.13 -0.88 5.85 -1.83 -3.48 115.31 123.60 1ugj h LEU 83 Ca -0.24 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.38 1ugj h LEU 83 Cb 1.17 0.07 -0.13 0.00 0.37 0.00 0.00 40.66 42.15 1ugj h LEU 83 CO 1.21 0.04 -0.36 0.00 -0.34 0.00 0.00 178.44 178.99 1ugj s ALA 84 N -3.50 0.10 0.00 1.25 0.00 -1.16 -5.05 121.76 113.41 1ugj s ALA 84 Ca -0.05 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1ugj s ALA 84 Cb 0.00 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.99 1ugj s ALA 84 CO 0.14 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.68 1ugj n GLY 85 N -0.20 -1.18 2.83 0.00 0.00 -1.26 -2.44 105.19 102.94 1ugj n GLY 85 Ca -0.07 -1.95 -0.25 0.00 0.00 0.00 0.00 46.02 43.75 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 1.12 0.00 1.61 5.04 -1.26 -5.04 117.35 118.82 1ugj s TYR 86 Ca 0.00 -0.54 0.00 0.00 -2.44 0.00 0.00 57.07 54.09 1ugj s TYR 86 Cb 0.00 -1.04 0.00 0.00 0.35 0.00 0.00 41.96 41.27 1ugj s TYR 86 CO 0.00 -0.45 0.00 0.41 -1.34 0.00 0.00 175.55 174.17 1ugj n GLY 87 N 5.03 0.94 3.71 8.97 0.00 -1.26 -4.76 105.19 117.82 1ugj n GLY 87 Ca -0.10 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 1.34 4.42 0.25 1.61 0.04 -1.26 -4.91 135.00 136.49 1ugj s PRO 88 Ca 0.00 1.71 -0.06 0.00 0.04 0.00 0.00 61.00 62.70 1ugj s PRO 88 Cb 0.00 -3.41 0.43 0.00 0.04 0.00 0.00 34.50 31.56 1ugj s PRO 88 CO 0.00 -0.29 1.35 -2.13 0.04 0.00 0.00 177.00 175.98 1ugj n ARG 89 N 4.25 -0.08 -4.37 4.56 0.63 -1.26 -4.45 116.66 115.94 1ugj n ARG 89 Ca 0.09 1.35 -0.19 0.00 -0.92 0.00 0.00 57.85 58.18 1ugj n ARG 89 Cb 0.47 -2.03 -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 -6.06 0.99 -0.04 5.15 2.01 -1.26 -0.55 115.64 115.88 1ugj s THR 90 Ca -0.13 -2.02 -0.02 0.00 0.31 0.00 0.00 61.69 59.83 1ugj s THR 90 Cb 0.24 -2.58 0.02 0.00 0.01 0.00 0.00 72.50 70.18 1ugj s THR 90 CO 0.68 -0.13 0.08 -0.69 -0.69 0.00 0.00 174.62 173.87 1ugj s VAL 91 N -3.45 -0.02 0.30 3.82 1.01 -1.25 -4.95 120.40 115.87 1ugj s VAL 91 Ca 0.34 0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.47 1ugj s VAL 91 Cb 0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.28 1ugj s VAL 91 CO 0.12 0.03 0.10 0.42 0.00 0.00 0.00 175.10 175.78 1ugj s THR 92 N 0.40 3.36 -1.23 3.92 -4.23 -1.26 0.60 115.64 117.20 1ugj s THR 92 Ca -0.03 -1.72 0.22 0.00 -1.18 0.00 0.00 61.69 58.98 1ugj s THR 92 Cb -0.04 -2.99 0.30 0.00 1.34 0.00 0.00 72.50 71.10 1ugj s THR 92 CO -0.02 -0.27 1.72 -0.81 -0.54 0.00 0.00 174.62 174.71 1ugj n PRO 93 N -1.07 0.17 0.10 3.99 -0.04 -1.26 -2.13 135.00 134.76 1ugj n PRO 93 Ca -0.05 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 1ugj n PRO 93 Cb 0.60 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.70 1ugj n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ugj h ALA 94 N 2.92 0.66 0.00 0.55 0.00 -1.94 -3.30 119.26 118.15 1ugj h ALA 94 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1ugj h ALA 94 Cb 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1ugj h ALA 94 CO 0.00 0.00 -1.97 -1.33 0.00 0.00 0.00 179.25 175.95 1ugj n MET 95 N -2.45 0.66 -1.75 0.00 2.81 -0.91 -4.93 117.12 110.55 1ugj n MET 95 Ca 0.03 0.02 -0.42 0.00 -1.81 0.00 0.00 57.70 55.52 1ugj n MET 95 Cb 0.49 -1.62 -0.02 0.00 -0.71 0.00 0.00 33.22 31.35 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 -2.89 2.05 -0.18 2.03 0.11 -1.09 0.08 120.40 120.51 1ugj s VAL 96 Ca -0.07 0.04 -0.17 0.00 -2.93 0.00 0.00 61.98 58.85 1ugj s VAL 96 Cb 0.09 -3.02 -0.21 0.00 -1.53 0.00 0.00 36.38 31.70 1ugj s VAL 96 CO 0.84 0.00 0.25 1.21 -3.33 0.00 0.00 175.10 174.08 1ugj n GLU 97 N 3.27 0.63 -3.77 1.54 4.07 0.50 -4.77 120.64 122.11 1ugj n GLU 97 Ca 0.13 0.47 -0.13 0.00 -0.06 0.00 0.00 57.16 57.57 1ugj n GLU 97 Cb 0.36 -1.73 -0.10 0.00 -0.06 0.00 0.00 31.44 29.91 1ugj n GLU 97 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1ugj s GLY 98 N -5.11 -0.19 0.14 8.31 0.00 -1.17 -5.01 107.32 104.30 1ugj s GLY 98 Ca -0.27 0.64 0.07 0.00 0.00 0.00 0.00 44.72 45.16 1ugj s GLY 98 CO 0.65 0.49 -0.04 -0.26 0.00 0.00 0.00 173.10 173.94 1ugj s ILE 99 N -0.39 3.59 0.05 0.90 -4.36 -1.26 -1.72 121.20 118.01 1ugj s ILE 99 Ca -0.05 -1.35 -0.05 0.00 -0.26 0.00 0.00 60.65 58.94 1ugj s ILE 99 Cb -0.03 -2.75 -0.01 0.00 1.25 0.00 0.00 42.46 40.91 1ugj s ILE 99 CO 0.02 -0.01 0.09 -0.31 0.24 0.00 0.00 174.94 174.96 1ugj s TYR 100 N -1.51 0.25 0.52 1.37 1.51 -0.39 -1.42 117.35 117.68 1ugj s TYR 100 Ca 0.25 -0.62 0.06 0.00 -1.01 0.00 0.00 57.07 55.74 1ugj s TYR 100 Cb -0.10 -0.17 0.02 0.00 -0.11 0.00 0.00 41.96 41.60 1ugj s TYR 100 CO 0.17 -0.40 0.37 -1.59 -1.11 0.00 0.00 175.55 172.99 1ugj s LYS 101 N -3.08 2.28 -0.22 -0.62 -2.85 0.22 0.11 119.74 115.58 1ugj s LYS 101 Ca -0.01 -1.95 0.02 0.00 -1.00 0.00 0.00 55.97 53.03 1ugj s LYS 101 Cb 0.02 -2.11 0.04 0.00 -2.06 0.00 0.00 37.83 33.72 1ugj s LYS 101 CO -0.07 -0.51 -0.13 -0.47 0.10 0.00 0.00 175.35 174.27 1ugj s TYR 102 N -2.72 2.84 -0.57 1.78 6.14 -1.26 -2.30 117.35 121.26 1ugj s TYR 102 Ca 0.36 -1.90 -0.27 0.00 0.64 0.00 0.00 57.07 55.90 1ugj s TYR 102 Cb -0.02 -1.82 -0.03 0.00 0.42 0.00 0.00 41.96 40.52 1ugj s TYR 102 CO 0.22 -0.81 1.90 -0.80 0.64 0.00 0.00 175.55 176.70 1ugj s ASN 103 N 1.25 5.25 0.00 4.32 0.01 0.18 -4.77 114.94 121.18 1ugj s ASN 103 Ca -0.03 0.50 0.15 0.00 -0.71 0.00 0.00 52.86 52.77 1ugj s ASN 103 Cb -0.17 -2.53 0.75 0.00 0.41 0.00 0.00 41.25 39.71 1ugj s ASN 103 CO -0.08 -2.36 1.50 -1.20 -1.51 0.00 0.00 177.10 173.45 1ugj n SER 104 N 12.80 0.56 -0.05 -1.22 7.64 -1.26 0.12 113.62 132.21 1ugj n SER 104 Ca 0.22 -1.65 -0.06 0.00 1.01 0.00 0.00 58.87 58.39 1ugj n SER 104 Cb 0.52 -0.05 -0.04 0.00 -1.01 0.00 0.00 64.21 63.63 1ugj n SER 104 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ugj n ASP 105 N -0.36 3.28 -0.00 6.43 8.00 -1.26 -4.66 116.55 127.98 1ugj n ASP 105 Ca 0.12 -0.05 0.09 0.00 0.71 0.00 0.00 54.79 55.66 1ugj n ASP 105 Cb 0.14 -0.12 -0.12 0.00 -0.02 0.00 0.00 41.12 41.00 1ugj n ASP 105 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ugj n ARG 106 N -2.75 0.81 -2.10 -1.24 1.74 -1.22 -4.97 116.66 106.93 1ugj n ARG 106 Ca -0.16 -0.05 -0.13 0.00 -0.77 0.00 0.00 57.85 56.74 1ugj n ARG 106 Cb 0.68 -1.39 -0.02 0.00 -1.02 0.00 0.00 32.46 30.71 1ugj n ARG 106 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ugj n LYS 107 N -1.63 -1.05 -2.55 5.56 5.02 0.32 -5.00 118.16 118.83 1ugj n LYS 107 Ca 0.02 0.71 -0.10 0.00 -2.02 0.00 0.00 58.31 56.92 1ugj n LYS 107 Cb 0.34 -4.93 -0.01 0.00 -0.02 0.00 0.00 35.03 30.42 1ugj n LYS 107 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ugj n ARG 108 N -2.35 1.37 -5.13 1.97 5.12 -1.09 -4.89 116.66 111.66 1ugj n ARG 108 Ca -0.16 -1.21 -0.29 0.00 -1.93 0.00 0.00 57.85 54.27 1ugj n ARG 108 Cb 0.59 0.22 -0.16 0.00 -1.16 0.00 0.00 32.46 31.95 1ugj n ARG 108 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1ugj s PHE 109 N -1.22 2.05 0.21 -1.55 0.08 -1.26 0.48 117.98 116.77 1ugj s PHE 109 Ca 0.06 -0.39 0.04 0.00 0.12 0.00 0.00 56.93 56.76 1ugj s PHE 109 Cb -0.00 -1.32 -0.05 0.00 -0.57 0.00 0.00 43.02 41.08 1ugj s PHE 109 CO 0.04 -0.03 -0.03 0.99 -0.10 0.00 0.00 175.22 176.09 1ugj s THR 110 N -0.54 1.07 0.23 0.64 2.01 -0.97 -4.93 115.64 113.14 1ugj s THR 110 Ca 0.09 -2.04 0.03 0.00 0.31 0.00 0.00 61.69 60.07 1ugj s THR 110 Cb -0.09 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 1ugj s THR 110 CO -0.01 -0.42 0.37 -1.58 -0.69 0.00 0.00 174.62 172.29 1ugj s GLN 111 N -3.83 3.46 -0.09 4.92 0.74 -1.26 0.70 119.66 124.29 1ugj s GLN 111 Ca 0.26 -0.58 -0.06 0.00 0.05 0.00 0.00 55.36 55.03 1ugj s GLN 111 Cb 0.05 -2.87 -0.04 0.00 1.10 0.00 0.00 33.01 31.25 1ugj s GLN 111 CO 0.07 0.41 0.14 0.42 -0.55 0.00 0.00 175.29 175.78 1ugj s ILE 112 N -1.95 5.43 -1.43 -2.34 -1.09 -0.51 -4.70 121.20 114.62 1ugj s ILE 112 Ca 0.36 0.10 0.23 0.00 -2.23 0.00 0.00 60.65 59.11 1ugj s ILE 112 Cb -0.10 -3.40 0.40 0.00 -1.58 0.00 0.00 42.46 37.77 1ugj s ILE 112 CO 0.30 0.55 1.74 -0.81 -1.23 0.00 0.00 174.94 175.49 1ugj n PRO 113 N 1.75 0.32 -4.18 2.79 -0.04 -1.26 -4.75 135.00 129.63 1ugj n PRO 113 Ca -0.18 0.07 -0.23 0.00 -0.04 0.00 0.00 63.50 63.12 1ugj n PRO 113 Cb 0.54 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 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 -2.57 3.38 -1.10 0.55 0.00 -1.26 -5.02 121.76 115.73 1ugj s ALA 114 Ca 0.21 -1.73 0.10 0.00 0.00 0.00 0.00 51.96 50.55 1ugj s ALA 114 Cb 0.15 -0.79 0.19 0.00 0.00 0.00 0.00 23.12 22.67 1ugj s ALA 114 CO 0.35 0.14 1.05 1.63 0.00 0.00 0.00 175.76 178.93 1ugj n LYS 115 N -1.05 1.73 -3.30 0.00 4.01 -1.26 -4.57 118.16 113.72 1ugj n LYS 115 Ca -0.05 -1.60 -0.20 0.00 -0.51 0.00 0.00 58.31 55.96 1ugj n LYS 115 Cb 0.60 -1.23 0.00 0.00 -0.51 0.00 0.00 35.03 33.89 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 -0.95 2.63 0.70 -0.18 2.01 -1.26 -4.91 115.64 113.68 1ugj s THR 116 Ca 0.18 -1.17 -0.11 0.00 0.31 0.00 0.00 61.69 60.89 1ugj s THR 116 Cb 0.10 -2.80 0.01 0.00 0.01 0.00 0.00 72.50 69.83 1ugj s THR 116 CO 0.14 0.00 1.07 -0.04 -0.69 0.00 0.00 174.62 175.10 1ugj s MET 117 N -4.31 2.88 0.00 4.92 -1.94 -1.26 -4.97 119.30 114.62 1ugj s MET 117 Ca 0.52 0.76 0.00 0.00 -1.71 0.00 0.00 55.69 55.26 1ugj s MET 117 Cb -0.06 -2.00 0.00 0.00 2.01 0.00 0.00 34.83 34.78 1ugj s MET 117 CO 0.31 -1.09 0.00 0.45 -0.01 0.00 0.00 175.02 174.68 1ugj n SER 118 N -3.10 0.00 0.00 3.03 2.88 -1.26 -4.98 113.62 110.19 1ugj n SER 118 Ca 0.07 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.66 1ugj n SER 118 Cb 0.55 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 64.23 1ugj n SER 118 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1ugj n MET 119 N -0.12 0.05 -0.23 -1.46 2.81 -1.26 -1.14 117.12 115.77 1ugj n MET 119 Ca 0.00 0.28 0.07 0.00 -1.81 0.00 0.00 57.70 56.24 1ugj n MET 119 Cb 0.00 -1.50 0.19 0.00 -0.71 0.00 0.00 33.22 31.20 1ugj n MET 119 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1ugj n SER 120 N -1.42 2.29 -4.46 7.83 7.64 -1.26 -4.81 113.62 119.43 1ugj n SER 120 Ca 0.03 -2.02 -0.34 0.00 1.01 0.00 0.00 58.87 57.55 1ugj n SER 120 Cb 0.10 -0.29 -0.13 0.00 -1.01 0.00 0.00 64.21 62.88 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 -1.47 3.65 0.00 0.44 1.01 -0.29 -4.14 120.40 119.60 1ugj s VAL 121 Ca 0.28 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1ugj s VAL 121 Cb 0.15 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1ugj s VAL 121 CO 0.18 0.50 0.81 0.47 0.00 0.00 0.00 175.10 177.06 1ugj n ASP 122 N 3.59 1.41 -3.50 3.32 9.92 0.30 -4.89 116.55 126.70 1ugj n ASP 122 Ca -0.18 -1.66 -0.09 0.00 -0.53 0.00 0.00 54.79 52.33 1ugj n ASP 122 Cb 0.52 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.98 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 -0.66 -1.71 -0.15 2.24 0.00 0.21 -3.61 121.76 118.08 1ugj s ALA 123 Ca 0.00 0.72 -0.31 0.00 0.00 0.00 0.00 51.96 52.37 1ugj s ALA 123 Cb 0.00 0.62 0.13 0.00 0.00 0.00 0.00 23.12 23.87 1ugj s ALA 123 CO 0.00 -0.75 1.07 -0.59 0.00 0.00 0.00 175.76 175.48 1ugj s PHE 124 N -3.39 -0.26 -0.06 0.00 -0.71 -1.09 -1.26 117.98 111.20 1ugj s PHE 124 Ca 0.04 0.33 -0.00 0.00 -1.04 0.00 0.00 56.93 56.26 1ugj s PHE 124 Cb -0.01 0.49 0.03 0.00 -1.21 0.00 0.00 43.02 42.32 1ugj s PHE 124 CO -0.09 -0.32 -0.02 0.95 -1.34 0.00 0.00 175.22 174.40 1ugj s THR 125 N -1.88 0.46 0.72 -4.49 -4.23 -0.70 -3.93 115.64 101.59 1ugj s THR 125 Ca 0.04 0.01 -0.11 0.00 -1.18 0.00 0.00 61.69 60.45 1ugj s THR 125 Cb -0.01 -0.56 0.02 0.00 1.34 0.00 0.00 72.50 73.30 1ugj s THR 125 CO -0.04 0.25 1.07 0.27 -0.54 0.00 0.00 174.62 175.63 1ugj s ILE 126 N 1.53 3.79 0.99 2.99 -4.36 -1.26 0.19 121.20 125.06 1ugj s ILE 126 Ca -0.02 0.58 -0.17 0.00 -0.26 0.00 0.00 60.65 60.79 1ugj s ILE 126 Cb -0.13 -3.31 -0.08 0.00 1.25 0.00 0.00 42.46 40.19 1ugj s ILE 126 CO -0.03 -0.76 -0.45 0.00 0.24 0.00 0.00 174.94 173.94 1ugj n GLN 127 N -3.22 -0.18 0.04 0.37 6.02 0.11 -4.54 117.38 115.99 1ugj n GLN 127 Ca 0.07 -0.04 -0.19 0.00 -0.01 0.00 0.00 57.00 56.83 1ugj n GLN 127 Cb 0.54 -1.31 -0.13 0.00 1.02 0.00 0.00 30.24 30.37 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 -1.23 0.47 0.75 1.08 0.00 -1.93 -3.19 103.07 99.01 1ugj h GLY 128 Ca -0.44 -0.97 0.16 0.00 0.00 0.00 0.00 47.33 46.08 1ugj h GLY 128 CO 0.27 0.85 0.47 1.12 0.00 0.00 0.00 176.54 179.25 1ugj h HIS 129 N -0.13 0.00 -0.25 5.60 2.07 -1.91 0.89 115.15 121.42 1ugj h HIS 129 Ca -0.12 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.30 1ugj h HIS 129 Cb 1.56 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.52 1ugj h HIS 129 CO 0.16 0.00 -0.26 -0.07 -3.07 0.00 0.00 177.93 174.69 1ugj h LEU 130 N 0.00 0.49 0.01 6.12 3.38 -1.90 -2.31 115.31 121.10 1ugj h LEU 130 Ca 0.26 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ugj h LEU 130 Cb 1.20 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1ugj h LEU 130 CO -0.00 0.75 -0.00 -0.50 0.09 0.00 0.00 178.44 178.77 1ugj h TRP 131 N 0.43 -0.01 -3.33 1.13 4.06 0.56 -3.38 115.95 115.41 1ugj h TRP 131 Ca 0.06 -0.00 -0.78 0.00 2.06 0.00 0.00 58.89 60.23 1ugj h TRP 131 Cb 0.69 0.00 -0.30 0.00 -1.00 0.00 0.00 29.16 28.55 1ugj h TRP 131 CO 0.02 0.80 0.43 0.00 -3.56 0.00 0.00 178.44 176.13 1ugj n GLN 132 N -4.67 3.61 -3.30 0.49 10.64 0.47 -5.00 117.38 119.62 1ugj n GLN 132 Ca -0.09 -4.49 -0.18 0.00 -1.83 0.00 0.00 57.00 50.41 1ugj n GLN 132 Cb 0.39 -2.51 -0.02 0.00 -0.86 0.00 0.00 30.24 27.24 1ugj n GLN 132 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1ugj n SER 133 N 2.23 2.48 -1.62 2.61 7.64 -0.88 -4.59 113.62 121.50 1ugj n SER 133 Ca 0.24 -2.28 -0.03 0.00 1.01 0.00 0.00 58.87 57.81 1ugj n SER 133 Cb 0.37 0.10 0.02 0.00 -1.01 0.00 0.00 64.21 63.69 1ugj n SER 133 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1ugj n LYS 134 N -1.04 0.51 0.00 1.43 0.00 -1.26 -5.02 118.16 112.78 1ugj n LYS 134 Ca -0.07 -0.82 0.00 0.00 -0.00 0.00 0.00 58.31 57.42 1ugj n LYS 134 Cb 0.39 0.41 0.00 0.00 -0.00 0.00 0.00 35.03 35.83 1ugj n LYS 134 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1ugj n LYS 135 N -0.58 0.00 -1.66 -1.58 4.81 -1.26 -5.16 118.16 112.73 1ugj n LYS 135 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 1ugj n LYS 135 Cb 0.68 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.73 1ugj n LYS 135 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1ugj n SER 136 N -2.10 -7.84 -1.10 3.14 7.64 -1.26 -5.01 113.62 107.09 1ugj n SER 136 Ca 0.00 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1ugj n SER 136 Cb 0.00 -4.13 0.00 0.00 -1.01 0.00 0.00 64.21 59.07 1ugj n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugj n GLY 137 N 1.01 -2.42 0.16 0.23 0.00 -1.26 -4.99 105.19 97.93 1ugj n GLY 137 Ca 0.00 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.31 1ugj n GLY 137 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ugj h PRO 138 N 0.00 0.51 -3.71 1.61 0.13 -2.07 -3.50 132.00 124.97 1ugj h PRO 138 Ca 0.00 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1ugj h PRO 138 Cb 0.00 0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.26 1ugj h PRO 138 CO 0.00 1.13 -0.90 0.43 -0.23 0.00 0.00 178.00 178.43 1ugj n SER 139 N -4.15 -8.64 -4.00 1.44 7.64 -1.26 -5.05 113.62 99.60 1ugj n SER 139 Ca -0.10 1.24 -0.09 0.00 1.01 0.00 0.00 58.87 60.94 1ugj n SER 139 Cb 0.69 -4.74 -0.11 0.00 -1.01 0.00 0.00 64.21 59.03 1ugj n SER 139 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ugj s SER 140 N -3.14 0.29 0.00 6.43 0.15 -1.26 -5.29 113.70 110.88 1ugj s SER 140 Ca 0.00 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.04 1ugj s SER 140 Cb 0.00 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1ugj s SER 140 CO 0.00 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.66