#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugj n SER 2 N 0.00 -8.47 -4.98 1.61 7.64 -1.26 -5.01 113.62 103.16 1ugj n SER 2 Ca 0.00 1.79 -0.20 0.00 1.01 0.00 0.00 58.87 61.47 1ugj n SER 2 Cb 0.00 -4.86 -0.01 0.00 -1.01 0.00 0.00 64.21 58.33 1ugj n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ugj s SER 3 N -0.54 6.10 0.00 6.43 0.15 -1.26 -5.12 113.70 119.46 1ugj s SER 3 Ca -0.01 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1ugj s SER 3 Cb 0.00 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.82 1ugj s SER 3 CO 0.01 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1ugj n GLY 4 N -1.58 5.74 1.71 9.45 0.00 -1.26 -5.11 105.19 114.14 1ugj n GLY 4 Ca -0.03 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1ugj n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ugj n SER 5 N 0.00 -8.93 -3.50 1.61 7.64 -1.26 -5.09 113.62 104.09 1ugj n SER 5 Ca 0.00 1.26 -0.09 0.00 1.01 0.00 0.00 58.87 61.05 1ugj n SER 5 Cb 0.00 -4.72 -0.02 0.00 -1.01 0.00 0.00 64.21 58.46 1ugj n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ugj s SER 6 N -2.31 -0.41 0.00 6.43 0.15 -1.26 -5.15 113.70 111.15 1ugj s SER 6 Ca 0.00 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1ugj s SER 6 Cb 0.00 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1ugj s SER 6 CO 0.00 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.32 1ugj n GLY 7 N -0.29 0.22 3.59 9.45 0.00 -1.26 -4.95 105.19 111.94 1ugj n GLY 7 Ca -0.11 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 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 0.00 3.38 -0.70 1.61 0.04 -1.26 -4.88 135.00 133.19 1ugj s PRO 8 Ca 0.00 0.71 -0.37 0.00 0.04 0.00 0.00 61.00 61.38 1ugj s PRO 8 Cb 0.00 -4.10 -0.20 0.00 0.04 0.00 0.00 34.50 30.24 1ugj s PRO 8 CO 0.00 -1.82 2.32 0.54 0.04 0.00 0.00 177.00 178.08 1ugj n ARG 9 N 8.43 0.00 -3.59 4.56 3.00 -1.26 -4.86 116.66 122.94 1ugj n ARG 9 Ca 0.15 0.00 -0.37 0.00 -0.01 0.00 0.00 57.85 57.62 1ugj n ARG 9 Cb 0.49 -1.45 -0.07 0.00 0.00 0.00 0.00 32.46 31.43 1ugj n ARG 9 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1ugj s LEU 10 N 7.11 4.32 -0.37 0.55 2.96 -1.26 -5.06 118.68 126.94 1ugj s LEU 10 Ca 1.23 0.60 0.04 0.00 -0.22 0.00 0.00 54.13 55.78 1ugj s LEU 10 Cb -1.35 -2.37 0.11 0.00 0.50 0.00 0.00 46.19 43.08 1ugj s LEU 10 CO 0.57 0.21 0.09 -0.47 -1.32 0.00 0.00 176.35 175.42 1ugj s TYR 11 N -0.15 3.66 -0.09 5.38 5.04 -1.26 -5.07 117.35 124.86 1ugj s TYR 11 Ca 0.18 -3.02 -0.08 0.00 -2.44 0.00 0.00 57.07 51.71 1ugj s TYR 11 Cb -0.14 -2.92 0.03 0.00 0.35 0.00 0.00 41.96 39.28 1ugj s TYR 11 CO 0.06 -0.91 0.24 0.21 -1.34 0.00 0.00 175.55 173.80 1ugj s LYS 12 N 0.70 0.26 0.03 4.97 2.47 -1.26 -5.17 119.74 121.74 1ugj s LYS 12 Ca 0.12 0.36 -0.09 0.00 -1.56 0.00 0.00 55.97 54.80 1ugj s LYS 12 Cb -0.20 0.09 0.00 0.00 -1.46 0.00 0.00 37.83 36.26 1ugj s LYS 12 CO -0.07 -0.05 0.19 -1.21 0.16 0.00 0.00 175.35 174.37 1ugj s GLU 13 N 0.31 0.65 0.86 4.03 2.02 -1.26 -5.17 118.70 120.14 1ugj s GLU 13 Ca -0.02 -0.56 -0.15 0.00 0.02 0.00 0.00 54.97 54.27 1ugj s GLU 13 Cb -0.03 0.27 0.21 0.00 0.10 0.00 0.00 34.13 34.68 1ugj s GLU 13 CO -0.01 -0.18 0.95 -0.35 0.02 0.00 0.00 175.26 175.68 1ugj n PRO 14 N 0.87 -1.83 -3.03 0.39 -0.04 -1.26 -5.07 135.00 125.03 1ugj n PRO 14 Ca -0.20 -1.48 -0.15 0.00 -0.04 0.00 0.00 63.50 61.63 1ugj n PRO 14 Cb 0.58 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.84 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 -4.06 -1.94 -3.00 3.54 2.88 -1.26 -5.05 113.62 104.74 1ugj n SER 15 Ca 0.12 -2.75 0.02 0.00 -1.33 0.00 0.00 58.87 54.93 1ugj n SER 15 Cb 0.45 0.69 -0.00 0.00 -0.75 0.00 0.00 64.21 64.60 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 0.33 -3.51 -0.26 -1.46 0.00 -1.26 -5.02 121.76 110.57 1ugj s ALA 16 Ca 0.32 0.90 0.10 0.00 0.00 0.00 0.00 51.96 53.28 1ugj s ALA 16 Cb 0.06 -2.86 0.32 0.00 0.00 0.00 0.00 23.12 20.64 1ugj s ALA 16 CO -0.14 -2.30 1.38 1.63 0.00 0.00 0.00 175.76 176.33 1ugj n LYS 17 N 4.24 1.07 -1.31 0.00 4.76 -1.26 -5.14 118.16 120.53 1ugj n LYS 17 Ca 0.08 -1.07 -0.44 0.00 -2.87 0.00 0.00 58.31 54.01 1ugj n LYS 17 Cb 0.60 0.41 -0.02 0.00 -1.84 0.00 0.00 35.03 34.17 1ugj n LYS 17 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1ugj n SER 18 N -1.22 -1.83 -2.71 4.39 7.64 -1.26 -4.89 113.62 113.74 1ugj n SER 18 Ca -0.18 0.96 -0.23 0.00 1.01 0.00 0.00 58.87 60.44 1ugj n SER 18 Cb 0.82 -0.89 -0.01 0.00 -1.01 0.00 0.00 64.21 63.12 1ugj n SER 18 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ugj n ASN 19 N 2.05 3.62 -0.10 6.43 6.94 -0.99 -4.80 115.26 128.42 1ugj n ASN 19 Ca 0.15 -3.45 -0.23 0.00 -0.02 0.00 0.00 54.58 51.03 1ugj n ASN 19 Cb 0.30 -0.52 -0.12 0.00 -2.36 0.00 0.00 39.78 37.09 1ugj n ASN 19 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1ugj n LYS 20 N -0.26 0.60 0.29 -3.83 4.81 -1.24 -3.71 118.16 114.81 1ugj n LYS 20 Ca 0.30 0.45 0.17 0.00 -0.87 0.00 0.00 58.31 58.36 1ugj n LYS 20 Cb 0.62 -1.68 0.83 0.00 0.02 0.00 0.00 35.03 34.83 1ugj n LYS 20 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 1ugj h PHE 21 N -0.82 0.00 0.00 5.64 -1.00 -1.93 0.01 116.94 118.84 1ugj h PHE 21 Ca -0.45 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.16 1ugj h PHE 21 Cb 1.49 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 41.03 1ugj h PHE 21 CO 0.05 0.06 -0.81 0.82 -1.61 0.00 0.00 178.31 176.82 1ugj h ILE 22 N 0.00 1.57 0.08 -0.55 2.04 -1.91 -3.14 117.51 115.61 1ugj h ILE 22 Ca -0.00 -2.75 -0.13 0.00 1.00 0.00 0.00 64.86 62.97 1ugj h ILE 22 Cb 0.32 2.49 0.01 0.00 -0.74 0.00 0.00 36.82 38.90 1ugj h ILE 22 CO 0.01 0.79 -0.61 0.40 0.00 0.00 0.00 178.15 178.74 1ugj h ILE 23 N 0.01 1.54 -1.09 -0.67 1.08 -1.32 -2.26 117.51 114.79 1ugj h ILE 23 Ca -0.01 -2.44 0.35 0.00 -0.39 0.00 0.00 64.86 62.37 1ugj h ILE 23 Cb 1.43 3.17 -0.14 0.00 -3.07 0.00 0.00 36.82 38.22 1ugj h ILE 23 CO 0.11 0.66 0.66 0.45 -0.69 0.00 0.00 178.15 179.33 1ugj h HIS 24 N -0.62 0.78 0.12 1.37 3.86 -1.10 1.38 115.15 120.93 1ugj h HIS 24 Ca -0.12 0.03 -0.29 0.00 -1.16 0.00 0.00 60.37 58.84 1ugj h HIS 24 Cb 1.41 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 29.67 1ugj h HIS 24 CO 0.21 -0.16 -1.38 -0.91 0.86 0.00 0.00 177.93 176.56 1ugj h ASN 25 N 0.26 0.39 -0.59 2.45 2.35 -1.61 -3.01 115.58 115.81 1ugj h ASN 25 Ca 0.74 -0.47 0.04 0.00 -0.55 0.00 0.00 56.30 56.06 1ugj h ASN 25 Cb 1.91 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 40.12 1ugj h ASN 25 CO -0.52 1.38 0.39 0.00 -1.65 0.00 0.00 177.43 177.04 1ugj h ALA 26 N 0.56 1.73 0.00 -0.83 0.00 0.22 1.34 119.26 122.28 1ugj h ALA 26 Ca -0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ugj h ALA 26 Cb 1.99 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1ugj h ALA 26 CO 0.18 0.20 -0.00 -0.07 0.00 0.00 0.00 179.25 179.56 1ugj h LEU 27 N 0.66 -0.00 0.00 0.00 3.38 -0.14 -2.29 115.31 116.91 1ugj h LEU 27 Ca 0.24 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1ugj h LEU 27 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1ugj h LEU 27 CO -0.07 0.56 0.00 -1.20 0.09 0.00 0.00 178.44 177.82 1ugj n SER 28 N -4.82 0.00 -0.05 -0.43 7.64 -0.80 -0.26 113.62 114.90 1ugj n SER 28 Ca -0.09 -0.82 -0.18 0.00 1.01 0.00 0.00 58.87 58.79 1ugj n SER 28 Cb 0.28 -0.01 -0.13 0.00 -1.01 0.00 0.00 64.21 63.35 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 0.15 0.00 1.43 3.86 0.20 -3.44 115.15 117.35 1ugj h HIS 29 Ca 0.00 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1ugj h HIS 29 Cb 0.01 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1ugj h HIS 29 CO 0.00 1.29 0.00 0.00 0.86 0.00 0.00 177.93 180.08 1ugj n LEU 32 N -5.43 1.30 -4.52 0.00 4.77 0.65 -3.88 117.00 109.89 1ugj n LEU 32 Ca 0.22 -3.28 -0.34 0.00 -0.03 0.00 0.00 56.01 52.57 1ugj n LEU 32 Cb 0.71 0.43 -0.12 0.00 -2.33 0.00 0.00 43.42 42.12 1ugj n LEU 32 CO -0.08 1.27 -0.31 0.00 -1.33 0.00 0.00 177.39 176.94 1ugj s ALA 33 N -3.29 3.13 0.00 -1.18 0.00 0.02 -4.48 121.76 115.96 1ugj s ALA 33 Ca 0.26 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1ugj s ALA 33 Cb 0.38 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.73 1ugj s ALA 33 CO -0.02 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.19 1ugj n GLY 34 N 3.86 0.15 0.13 0.00 0.00 -1.26 -4.78 105.19 103.29 1ugj n GLY 34 Ca -0.17 -1.71 -0.19 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.38 0.72 -0.35 1.61 4.81 -1.26 -3.52 118.16 119.79 1ugj n LYS 35 Ca 0.00 0.24 -0.01 0.00 -0.87 0.00 0.00 58.31 57.67 1ugj n LYS 35 Cb 0.00 -1.68 0.12 0.00 0.02 0.00 0.00 35.03 33.49 1ugj n LYS 35 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 1ugj h VAL 36 N 0.05 1.18 -0.97 3.15 3.04 -1.99 -0.53 116.25 120.18 1ugj h VAL 36 Ca -0.44 -0.42 -0.58 0.00 -1.01 0.00 0.00 66.70 64.25 1ugj h VAL 36 Cb 2.02 -0.15 -0.29 0.00 -2.01 0.00 0.00 31.29 30.86 1ugj h VAL 36 CO 0.05 0.22 0.74 0.59 -1.01 0.00 0.00 177.57 178.17 1ugj n ASN 37 N -4.47 5.57 0.11 3.17 3.02 -1.26 -4.39 115.26 117.01 1ugj n ASN 37 Ca 0.12 -3.65 -0.23 0.00 -0.03 0.00 0.00 54.58 50.79 1ugj n ASN 37 Cb 0.07 -0.90 -0.15 0.00 -0.61 0.00 0.00 39.78 38.19 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 1.44 0.50 -0.05 3.52 4.81 -1.13 -1.32 114.58 122.35 1ugj h GLU 38 Ca 0.61 -0.79 -0.22 0.00 -0.13 0.00 0.00 59.36 58.83 1ugj h GLU 38 Cb 1.88 0.28 0.02 0.00 0.63 0.00 0.00 28.75 31.56 1ugj h GLU 38 CO 1.30 1.37 -0.84 -1.00 -0.73 0.00 0.00 179.01 179.11 1ugj h PRO 39 N 0.03 0.66 0.39 0.92 0.13 -1.77 -3.15 132.00 129.21 1ugj h PRO 39 Ca -0.21 -0.64 -0.02 0.00 -0.87 0.00 0.00 66.00 64.26 1ugj h PRO 39 Cb 1.95 0.17 0.00 0.00 0.13 0.00 0.00 31.00 33.25 1ugj h PRO 39 CO 0.23 1.24 -0.19 0.37 -0.23 0.00 0.00 178.00 179.43 1ugj h GLN 40 N 0.31 -0.51 -0.86 0.86 4.15 -1.84 -2.79 115.11 114.43 1ugj h GLN 40 Ca -0.09 0.03 0.11 0.00 0.77 0.00 0.00 58.65 59.47 1ugj h GLN 40 Cb 1.50 0.12 -0.12 0.00 0.21 0.00 0.00 27.48 29.18 1ugj h GLN 40 CO 0.17 -0.21 -0.41 1.17 -1.93 0.00 0.00 178.83 177.62 1ugj n LYS 41 N -5.15 -0.28 -0.11 1.69 4.81 -0.50 0.17 118.16 118.79 1ugj n LYS 41 Ca -0.09 1.31 -0.05 0.00 -0.87 0.00 0.00 58.31 58.61 1ugj n LYS 41 Cb 0.28 -1.94 0.01 0.00 0.02 0.00 0.00 35.03 33.40 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 -0.52 -0.83 3.14 2.35 -1.59 0.55 115.58 118.68 1ugj h ASN 42 Ca 0.23 0.14 0.14 0.00 -0.55 0.00 0.00 56.30 56.25 1ugj h ASN 42 Cb 0.44 0.30 -0.06 0.00 0.05 0.00 0.00 38.32 39.06 1ugj h ASN 42 CO -0.83 -0.18 0.54 0.03 -1.65 0.00 0.00 177.43 175.33 1ugj h ARG 43 N -0.07 0.58 -0.02 0.81 2.47 0.19 0.29 114.38 118.63 1ugj h ARG 43 Ca 0.19 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.86 1ugj h ARG 43 Cb 0.36 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 1ugj h ARG 43 CO -0.44 0.38 -0.04 0.82 0.56 0.00 0.00 179.97 181.26 1ugj h ILE 44 N 0.60 1.43 -0.35 2.04 1.08 0.33 0.38 117.51 123.02 1ugj h ILE 44 Ca 0.41 -1.34 0.06 0.00 -0.39 0.00 0.00 64.86 63.60 1ugj h ILE 44 Cb 0.73 2.29 -0.06 0.00 -3.07 0.00 0.00 36.82 36.71 1ugj h ILE 44 CO -0.17 0.36 -0.03 -0.07 -0.69 0.00 0.00 178.15 177.55 1ugj h LEU 45 N -0.47 -0.19 0.09 1.44 3.38 0.12 0.42 115.31 120.09 1ugj h LEU 45 Ca 0.00 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ugj h LEU 45 Cb 0.60 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1ugj h LEU 45 CO 0.01 -0.06 -0.05 -0.33 0.09 0.00 0.00 178.44 178.10 1ugj h GLU 46 N 0.07 -0.12 -0.37 1.13 4.39 -0.50 -0.50 114.58 118.68 1ugj h GLU 46 Ca 0.17 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.96 1ugj h GLU 46 Cb 0.24 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 28.83 1ugj h GLU 46 CO -0.30 0.17 -0.27 0.93 -1.16 0.00 0.00 179.01 178.38 1ugj h GLU 47 N -0.42 -0.21 -0.20 2.33 4.39 0.23 1.51 114.58 122.22 1ugj h GLU 47 Ca -0.01 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1ugj h GLU 47 Cb 0.35 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1ugj h GLU 47 CO 0.02 -0.14 0.05 0.82 -1.16 0.00 0.00 179.01 178.60 1ugj h ILE 48 N -0.21 0.93 -0.09 3.13 2.04 -0.15 1.09 117.51 124.23 1ugj h ILE 48 Ca 0.18 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 1ugj h ILE 48 Cb 0.49 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1ugj h ILE 48 CO -0.49 0.02 -0.00 -0.33 0.00 0.00 0.00 178.15 177.35 1ugj h GLU 49 N 0.13 0.13 0.00 2.37 5.08 0.40 0.07 114.58 122.76 1ugj h GLU 49 Ca 0.09 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1ugj h GLU 49 Cb 0.07 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1ugj h GLU 49 CO -0.11 0.15 -0.54 1.57 -1.00 0.00 0.00 179.01 179.08 1ugj h LYS 50 N 0.13 0.00 -6.90 2.33 2.10 0.35 -3.45 116.57 111.13 1ugj h LYS 50 Ca 0.03 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.18 1ugj h LYS 50 Cb 0.10 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 31.47 1ugj h LYS 50 CO 0.00 0.29 0.50 0.45 -2.00 0.00 0.00 179.45 178.69 1ugj s SER 51 N -6.19 6.77 -0.41 7.07 0.15 0.36 -4.92 113.70 116.53 1ugj s SER 51 Ca 0.03 2.34 0.04 0.00 0.70 0.00 0.00 55.95 59.06 1ugj s SER 51 Cb 0.07 -2.62 0.60 0.00 -1.71 0.00 0.00 66.02 62.36 1ugj s SER 51 CO 0.74 -0.50 1.83 0.29 1.20 0.00 0.00 173.24 176.80 1ugj n LYS 52 N 0.44 2.13 -4.32 5.44 4.76 -1.26 -4.91 118.16 120.44 1ugj n LYS 52 Ca 0.02 -2.71 -0.27 0.00 -2.87 0.00 0.00 58.31 52.48 1ugj n LYS 52 Cb 0.46 -2.06 -0.10 0.00 -1.84 0.00 0.00 35.03 31.48 1ugj n LYS 52 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ugj s ALA 53 N -2.98 2.83 -0.24 7.82 0.00 -1.26 -5.02 121.76 122.91 1ugj s ALA 53 Ca 0.51 -1.48 0.08 0.00 0.00 0.00 0.00 51.96 51.07 1ugj s ALA 53 Cb 0.43 -0.65 -0.10 0.00 0.00 0.00 0.00 23.12 22.80 1ugj s ALA 53 CO 0.10 0.48 0.28 0.27 0.00 0.00 0.00 175.76 176.89 1ugj n ASN 54 N 0.20 1.43 -4.34 0.00 6.94 -1.26 -4.90 115.26 113.34 1ugj n ASN 54 Ca -0.12 -0.42 -0.40 0.00 -0.02 0.00 0.00 54.58 53.62 1ugj n ASN 54 Cb 0.55 1.15 -0.11 0.00 -2.36 0.00 0.00 39.78 39.01 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 -2.08 3.27 0.37 -2.53 2.46 -1.26 -2.34 115.29 113.18 1ugj s HIS 55 Ca 0.01 -1.16 0.08 0.00 0.47 0.00 0.00 55.06 54.46 1ugj s HIS 55 Cb 0.06 -2.58 -0.06 0.00 -0.13 0.00 0.00 32.58 29.87 1ugj s HIS 55 CO 0.34 -0.72 0.00 -0.06 -2.47 0.00 0.00 174.74 171.84 1ugj s PHE 56 N 1.51 2.51 -0.04 3.88 0.40 -1.26 0.16 117.98 125.13 1ugj s PHE 56 Ca 0.02 -0.54 -0.23 0.00 -0.60 0.00 0.00 56.93 55.57 1ugj s PHE 56 Cb -0.20 -1.61 0.05 0.00 0.51 0.00 0.00 43.02 41.77 1ugj s PHE 56 CO 0.05 0.46 0.51 -0.51 0.70 0.00 0.00 175.22 176.43 1ugj s LEU 57 N -3.71 0.03 -0.20 -0.37 1.02 -0.35 -4.71 118.68 110.40 1ugj s LEU 57 Ca 0.35 0.46 -0.11 0.00 0.02 0.00 0.00 54.13 54.85 1ugj s LEU 57 Cb 0.04 1.95 -0.05 0.00 0.02 0.00 0.00 46.19 48.15 1ugj s LEU 57 CO 0.19 -0.52 0.19 -0.63 0.02 0.00 0.00 176.35 175.60 1ugj s ILE 58 N -1.17 5.36 -0.40 -0.59 1.01 -1.26 -1.58 121.20 122.58 1ugj s ILE 58 Ca -0.12 0.30 -0.21 0.00 0.00 0.00 0.00 60.65 60.62 1ugj s ILE 58 Cb -0.02 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.93 1ugj s ILE 58 CO 0.07 0.39 0.67 -0.22 0.00 0.00 0.00 174.94 175.85 1ugj s LEU 59 N 0.65 4.33 0.00 2.97 2.96 0.13 -3.23 118.68 126.49 1ugj s LEU 59 Ca 0.10 -0.04 0.05 0.00 -0.22 0.00 0.00 54.13 54.03 1ugj s LEU 59 Cb -0.12 -2.80 0.09 0.00 0.50 0.00 0.00 46.19 43.86 1ugj s LEU 59 CO 0.02 -0.71 0.73 0.49 -1.32 0.00 0.00 176.35 175.56 1ugj n PHE 60 N 6.23 -2.63 -0.07 5.38 3.01 -1.23 0.18 117.46 128.33 1ugj n PHE 60 Ca -0.01 -1.65 -0.10 0.00 1.01 0.00 0.00 57.45 56.70 1ugj n PHE 60 Cb 0.48 -0.51 -0.15 0.00 -0.01 0.00 0.00 39.48 39.29 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 -2.23 0.67 0.08 -1.08 0.00 -1.21 -4.74 116.66 108.16 1ugj n ARG 61 Ca 0.14 0.12 0.00 0.00 -0.00 0.00 0.00 57.85 58.11 1ugj n ARG 61 Cb 0.49 -1.63 0.00 0.00 0.00 0.00 0.00 32.46 31.32 1ugj n ARG 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1ugj n ASP 62 N -2.90 -0.02 -3.19 6.15 8.00 -1.26 -5.00 116.55 118.32 1ugj n ASP 62 Ca -0.27 0.27 0.04 0.00 0.71 0.00 0.00 54.79 55.54 1ugj n ASP 62 Cb 1.11 0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 42.37 1ugj n ASP 62 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1ugj s SER 63 N -4.70 -0.15 -1.50 -2.24 1.04 -1.26 -4.75 113.70 100.12 1ugj s SER 63 Ca 0.00 0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.58 1ugj s SER 63 Cb 0.00 1.16 0.02 0.00 0.10 0.00 0.00 66.02 67.30 1ugj s SER 63 CO 0.00 -0.03 0.05 -0.24 0.98 0.00 0.00 173.24 174.00 1ugj n SER 64 N 4.90 0.69 0.00 7.02 2.88 -1.26 -4.82 113.62 123.03 1ugj n SER 64 Ca -0.07 -1.22 0.00 0.00 -1.33 0.00 0.00 58.87 56.25 1ugj n SER 64 Cb 0.55 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 1ugj n SER 64 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ugj s GLN 66 N -0.61 0.17 0.18 0.00 -0.21 -1.26 -5.03 119.66 112.90 1ugj s GLN 66 Ca 0.00 0.17 -0.30 0.00 0.02 0.00 0.00 55.36 55.25 1ugj s GLN 66 Cb 0.00 0.08 -0.09 0.00 1.00 0.00 0.00 33.01 34.00 1ugj s GLN 66 CO 0.00 -0.02 1.36 0.12 -2.12 0.00 0.00 175.29 174.63 1ugj s PHE 67 N 0.03 3.21 -0.09 0.91 2.19 -1.25 -3.28 117.98 119.68 1ugj s PHE 67 Ca -0.00 1.10 0.06 0.00 0.33 0.00 0.00 56.93 58.42 1ugj s PHE 67 Cb -0.01 -3.67 -0.10 0.00 -1.31 0.00 0.00 43.02 37.93 1ugj s PHE 67 CO 0.00 -2.19 0.00 0.54 1.83 0.00 0.00 175.22 175.40 1ugj n ARG 68 N 2.96 2.12 -3.59 10.12 5.12 0.49 -4.97 116.66 128.91 1ugj n ARG 68 Ca 0.08 0.01 -0.05 0.00 -1.93 0.00 0.00 57.85 55.96 1ugj n ARG 68 Cb 0.42 -1.22 -0.03 0.00 -1.16 0.00 0.00 32.46 30.47 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 -2.21 -2.04 -0.07 7.54 0.00 -1.07 -4.38 121.76 119.52 1ugj s ALA 69 Ca -0.06 1.59 -0.02 0.00 0.00 0.00 0.00 51.96 53.47 1ugj s ALA 69 Cb 0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1ugj s ALA 69 CO 0.34 -0.53 0.02 -1.17 0.00 0.00 0.00 175.76 174.42 1ugj s LEU 70 N -1.95 3.69 0.20 0.00 1.98 -1.05 0.22 118.68 121.77 1ugj s LEU 70 Ca 0.08 0.16 0.02 0.00 -2.89 0.00 0.00 54.13 51.50 1ugj s LEU 70 Cb -0.01 -1.90 -0.05 0.00 0.66 0.00 0.00 46.19 44.89 1ugj s LEU 70 CO -0.05 0.36 0.04 -0.31 -1.89 0.00 0.00 176.35 174.50 1ugj s TYR 71 N -0.95 1.33 -0.08 5.38 1.51 -0.61 -2.29 117.35 121.64 1ugj s TYR 71 Ca 0.15 -1.08 0.04 0.00 -1.01 0.00 0.00 57.07 55.16 1ugj s TYR 71 Cb -0.11 -0.77 0.00 0.00 -0.11 0.00 0.00 41.96 40.97 1ugj s TYR 71 CO 0.04 -0.26 -0.20 0.95 -1.11 0.00 0.00 175.55 174.97 1ugj s THR 72 N -3.70 1.74 0.16 -0.71 -4.23 -0.26 -1.20 115.64 107.43 1ugj s THR 72 Ca 0.29 -0.84 -0.28 0.00 -1.18 0.00 0.00 61.69 59.68 1ugj s THR 72 Cb 0.07 -1.52 -0.07 0.00 1.34 0.00 0.00 72.50 72.32 1ugj s THR 72 CO 0.08 0.49 0.88 -0.22 -0.54 0.00 0.00 174.62 175.30 1ugj s LEU 73 N 0.39 4.56 -0.27 4.79 2.96 0.42 -0.28 118.68 131.26 1ugj s LEU 73 Ca -0.16 1.76 -0.25 0.00 -0.22 0.00 0.00 54.13 55.26 1ugj s LEU 73 Cb -0.17 -3.47 0.00 0.00 0.50 0.00 0.00 46.19 43.05 1ugj s LEU 73 CO 0.07 0.09 0.86 -0.44 -1.32 0.00 0.00 176.35 175.60 1ugj s SER 74 N -0.66 6.82 0.42 3.68 0.01 0.26 -4.45 113.70 119.78 1ugj s SER 74 Ca 0.41 0.97 0.29 0.00 1.31 0.00 0.00 55.95 58.94 1ugj s SER 74 Cb -0.24 -2.45 1.24 0.00 0.21 0.00 0.00 66.02 64.79 1ugj s SER 74 CO 0.29 -0.59 1.87 1.23 0.41 0.00 0.00 173.24 176.45 1ugj h GLY 75 N 9.37 0.00 1.91 3.44 0.00 -1.95 -2.37 103.07 113.46 1ugj h GLY 75 Ca -0.23 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.94 1ugj h GLY 75 CO 0.90 0.00 -0.72 1.05 0.00 0.00 0.00 176.54 177.77 1ugj h GLU 76 N 0.00 0.09 0.00 4.80 9.09 -1.95 -3.47 114.58 123.14 1ugj h GLU 76 Ca 0.00 -0.08 0.00 0.00 0.05 0.00 0.00 59.36 59.33 1ugj h GLU 76 Cb 0.41 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.53 1ugj h GLU 76 CO 0.00 0.77 0.00 0.25 0.05 0.00 0.00 179.01 180.08 1ugj n THR 77 N -3.72 0.00 -0.00 -1.06 -2.24 -0.89 -5.06 114.28 101.30 1ugj n THR 77 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1ugj n THR 77 Cb 0.70 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 0.66 -1.90 -0.78 1.02 -1.26 -4.68 120.64 113.71 1ugj n GLU 78 Ca 0.00 -0.39 -0.31 0.00 -0.02 0.00 0.00 57.16 56.44 1ugj n GLU 78 Cb 0.00 -0.89 0.02 0.00 -0.02 0.00 0.00 31.44 30.55 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 -0.21 3.31 0.04 3.49 8.01 -1.26 -4.38 118.70 127.71 1ugj s GLU 79 Ca 0.00 0.62 0.00 0.00 0.01 0.00 0.00 54.97 55.60 1ugj s GLU 79 Cb 0.00 -2.07 0.00 0.00 -4.31 0.00 0.00 34.13 27.76 1ugj s GLU 79 CO 0.00 -0.74 0.03 1.28 0.01 0.00 0.00 175.26 175.84 1ugj n LEU 80 N -2.83 0.00 -3.71 1.80 4.77 0.28 -0.58 117.00 116.73 1ugj n LEU 80 Ca 0.06 -0.22 -0.13 0.00 -0.03 0.00 0.00 56.01 55.69 1ugj n LEU 80 Cb 0.55 -0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.55 1ugj n LEU 80 CO 0.58 -0.28 0.15 -0.55 -1.33 0.00 0.00 177.39 175.96 1ugj s SER 81 N -1.25 -0.52 -0.52 -1.43 0.15 0.62 -3.64 113.70 107.10 1ugj s SER 81 Ca 0.02 0.98 -0.27 0.00 0.70 0.00 0.00 55.95 57.38 1ugj s SER 81 Cb -0.00 0.97 -0.01 0.00 -1.71 0.00 0.00 66.02 65.26 1ugj s SER 81 CO 0.02 -0.17 1.77 -0.60 1.20 0.00 0.00 173.24 175.45 1ugj s ARG 82 N 0.46 2.94 -0.06 5.44 3.52 0.26 -1.10 118.95 130.41 1ugj s ARG 82 Ca -0.02 0.81 -0.06 0.00 -0.13 0.00 0.00 55.73 56.33 1ugj s ARG 82 Cb -0.04 -4.29 -0.04 0.00 -1.56 0.00 0.00 34.95 29.02 1ugj s ARG 82 CO -0.02 -2.35 0.29 1.25 -0.81 0.00 0.00 175.30 173.65 1ugj h LEU 83 N 15.10 -0.20 -8.10 -0.88 5.85 -1.81 -3.48 115.31 121.80 1ugj h LEU 83 Ca -0.28 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.45 1ugj h LEU 83 Cb 1.15 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.17 1ugj h LEU 83 CO 1.16 0.22 0.11 0.00 -0.34 0.00 0.00 178.44 179.58 1ugj s ALA 84 N -3.18 -0.79 0.00 1.25 0.00 -0.97 -5.04 121.76 113.02 1ugj s ALA 84 Ca -0.03 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1ugj s ALA 84 Cb 0.00 0.92 0.00 0.00 0.00 0.00 0.00 23.12 24.04 1ugj s ALA 84 CO 0.10 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.30 1ugj n GLY 85 N -0.45 1.08 0.00 0.00 0.00 -1.26 -2.54 105.19 102.02 1ugj n GLY 85 Ca -0.03 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1ugj n GLY 85 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ugj n TYR 86 N 0.00 0.00 -1.97 1.61 4.01 -1.26 -5.05 117.16 114.50 1ugj n TYR 86 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1ugj n TYR 86 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1ugj n TYR 86 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ugj n GLY 87 N 0.00 -0.52 3.71 2.72 0.00 -1.26 -4.73 105.19 105.10 1ugj n GLY 87 Ca 0.00 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.70 4.42 0.26 1.61 0.04 -1.26 -4.91 135.00 133.46 1ugj s PRO 88 Ca 0.00 1.71 -0.06 0.00 0.04 0.00 0.00 61.00 62.69 1ugj s PRO 88 Cb 0.00 -3.41 0.46 0.00 0.04 0.00 0.00 34.50 31.59 1ugj s PRO 88 CO 0.00 -0.29 1.44 -2.13 0.04 0.00 0.00 177.00 176.06 1ugj n ARG 89 N 4.25 -0.08 -4.44 4.56 0.63 -1.26 -4.30 116.66 116.02 1ugj n ARG 89 Ca 0.09 1.43 -0.21 0.00 -0.92 0.00 0.00 57.85 58.24 1ugj n ARG 89 Cb 0.47 -2.15 -0.11 0.00 0.45 0.00 0.00 32.46 31.12 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 -6.12 1.21 -0.11 5.15 2.01 -1.26 0.91 115.64 117.43 1ugj s THR 90 Ca -0.14 -2.01 -0.05 0.00 0.31 0.00 0.00 61.69 59.80 1ugj s THR 90 Cb 0.25 -2.73 0.05 0.00 0.01 0.00 0.00 72.50 70.08 1ugj s THR 90 CO 0.72 -0.05 0.26 -0.69 -0.69 0.00 0.00 174.62 174.16 1ugj s VAL 91 N -3.29 -0.06 0.36 3.82 1.01 -1.24 -4.92 120.40 116.08 1ugj s VAL 91 Ca 0.35 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.56 1ugj s VAL 91 Cb 0.08 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 1ugj s VAL 91 CO 0.15 0.06 0.39 0.42 0.00 0.00 0.00 175.10 176.12 1ugj s THR 92 N 1.33 3.47 -1.13 3.92 -4.23 -1.26 0.10 115.64 117.83 1ugj s THR 92 Ca -0.09 -1.22 0.22 0.00 -1.18 0.00 0.00 61.69 59.42 1ugj s THR 92 Cb -0.10 -3.19 0.25 0.00 1.34 0.00 0.00 72.50 70.79 1ugj s THR 92 CO -0.09 -0.12 1.71 -0.81 -0.54 0.00 0.00 174.62 174.77 1ugj n PRO 93 N -1.53 0.10 0.13 3.99 -0.04 -1.26 -2.32 135.00 134.07 1ugj n PRO 93 Ca 0.01 0.11 0.04 0.00 -0.04 0.00 0.00 63.50 63.62 1ugj n PRO 93 Cb 0.60 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.58 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 2.85 0.70 0.00 0.55 0.00 -1.94 -3.27 119.26 118.14 1ugj h ALA 94 Ca 0.00 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.32 1ugj h ALA 94 Cb 0.32 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1ugj h ALA 94 CO 0.00 0.55 -1.65 -1.33 0.00 0.00 0.00 179.25 176.82 1ugj n MET 95 N -3.11 0.64 -1.72 0.00 2.81 -0.98 -4.88 117.12 109.87 1ugj n MET 95 Ca 0.00 0.10 -0.42 0.00 -1.81 0.00 0.00 57.70 55.57 1ugj n MET 95 Cb 0.71 -1.71 -0.03 0.00 -0.71 0.00 0.00 33.22 31.48 1ugj n MET 95 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1ugj s VAL 96 N -2.98 3.10 0.00 2.03 1.01 -1.03 -0.28 120.40 122.25 1ugj s VAL 96 Ca -0.05 0.12 -0.20 0.00 0.00 0.00 0.00 61.98 61.86 1ugj s VAL 96 Cb 0.09 -3.08 -0.25 0.00 0.00 0.00 0.00 36.38 33.14 1ugj s VAL 96 CO 0.83 -0.01 1.07 -0.08 0.00 0.00 0.00 175.10 176.91 1ugj h GLU 97 N 10.48 0.41 -2.43 2.72 4.81 0.18 -3.46 114.58 127.30 1ugj h GLU 97 Ca -0.48 -0.48 -0.08 0.00 -0.13 0.00 0.00 59.36 58.19 1ugj h GLU 97 Cb 1.23 0.14 -0.21 0.00 0.63 0.00 0.00 28.75 30.54 1ugj h GLU 97 CO 0.94 1.14 -0.04 0.20 -0.73 0.00 0.00 179.01 180.53 1ugj s GLY 98 N -4.15 -0.40 0.16 1.92 0.00 -1.13 -5.01 107.32 98.71 1ugj s GLY 98 Ca -0.13 1.16 0.08 0.00 0.00 0.00 0.00 44.72 45.83 1ugj s GLY 98 CO 0.83 0.90 -0.08 -0.26 0.00 0.00 0.00 173.10 174.49 1ugj s ILE 99 N -0.61 3.33 0.15 0.90 -4.36 -1.26 -1.74 121.20 117.60 1ugj s ILE 99 Ca -0.07 -1.54 -0.08 0.00 -0.26 0.00 0.00 60.65 58.70 1ugj s ILE 99 Cb -0.03 -2.64 -0.01 0.00 1.25 0.00 0.00 42.46 41.03 1ugj s ILE 99 CO 0.05 -0.07 0.25 -0.31 0.24 0.00 0.00 174.94 175.10 1ugj s TYR 100 N -1.62 0.39 0.53 1.37 1.51 0.25 -2.40 117.35 117.38 1ugj s TYR 100 Ca 0.25 -0.76 0.03 0.00 -1.01 0.00 0.00 57.07 55.57 1ugj s TYR 100 Cb -0.09 -0.09 0.03 0.00 -0.11 0.00 0.00 41.96 41.70 1ugj s TYR 100 CO 0.16 -0.68 0.21 0.36 -1.11 0.00 0.00 175.55 174.49 1ugj n LYS 101 N -0.18 0.72 -3.98 -0.62 -0.00 0.14 0.16 118.16 114.41 1ugj n LYS 101 Ca -0.09 -3.55 -0.29 0.00 -0.00 0.00 0.00 58.31 54.38 1ugj n LYS 101 Cb 0.63 0.66 -0.17 0.00 -0.00 0.00 0.00 35.03 36.16 1ugj n LYS 101 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1ugj s TYR 102 N -2.77 1.92 -0.66 5.58 6.14 -1.26 -2.22 117.35 124.08 1ugj s TYR 102 Ca 0.16 -1.04 -0.27 0.00 0.64 0.00 0.00 57.07 56.55 1ugj s TYR 102 Cb -0.01 -1.46 0.02 0.00 0.42 0.00 0.00 41.96 40.92 1ugj s TYR 102 CO 0.10 -0.61 1.41 1.21 0.64 0.00 0.00 175.55 178.30 1ugj s ASN 103 N 1.57 6.02 0.00 4.32 3.84 0.50 -4.81 114.94 126.38 1ugj s ASN 103 Ca 0.05 -0.07 0.24 0.00 0.21 0.00 0.00 52.86 53.29 1ugj s ASN 103 Cb -0.13 -2.55 1.42 0.00 -0.55 0.00 0.00 41.25 39.44 1ugj s ASN 103 CO -0.10 -1.87 1.85 -1.20 -2.79 0.00 0.00 177.10 173.00 1ugj n SER 104 N 9.95 0.00 -0.04 -4.21 7.64 -1.26 0.17 113.62 125.87 1ugj n SER 104 Ca 0.09 -1.05 -0.06 0.00 1.01 0.00 0.00 58.87 58.87 1ugj n SER 104 Cb 0.50 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.66 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 -0.92 3.04 0.01 6.43 8.00 -1.26 -4.69 116.55 127.17 1ugj n ASP 105 Ca 0.18 -0.02 -0.00 0.00 0.71 0.00 0.00 54.79 55.65 1ugj n ASP 105 Cb 0.08 -0.14 -0.10 0.00 -0.02 0.00 0.00 41.12 40.94 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 -2.81 0.63 -2.32 -1.24 5.12 -1.20 -4.98 116.66 109.87 1ugj n ARG 106 Ca -0.14 0.15 -0.05 0.00 -1.93 0.00 0.00 57.85 55.88 1ugj n ARG 106 Cb 0.65 -1.74 0.00 0.00 -1.16 0.00 0.00 32.46 30.21 1ugj n ARG 106 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1ugj n LYS 107 N -2.81 -0.84 -4.45 5.56 5.02 0.45 -5.03 118.16 116.07 1ugj n LYS 107 Ca -0.12 0.20 -0.23 0.00 -2.02 0.00 0.00 58.31 56.15 1ugj n LYS 107 Cb 0.85 -3.70 -0.09 0.00 -0.02 0.00 0.00 35.03 32.07 1ugj n LYS 107 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1ugj s ARG 108 N -4.60 1.75 -0.09 1.97 1.81 -1.16 -4.90 118.95 113.74 1ugj s ARG 108 Ca 0.05 -2.03 -0.00 0.00 -1.72 0.00 0.00 55.73 52.02 1ugj s ARG 108 Cb -0.02 -0.55 -0.03 0.00 -0.45 0.00 0.00 34.95 33.90 1ugj s ARG 108 CO 0.06 -0.38 -0.06 -0.06 -0.68 0.00 0.00 175.30 174.17 1ugj s PHE 109 N -3.35 2.98 0.30 -0.53 0.08 -1.26 0.19 117.98 116.38 1ugj s PHE 109 Ca 0.30 -0.03 0.09 0.00 0.12 0.00 0.00 56.93 57.41 1ugj s PHE 109 Cb 0.05 -1.77 -0.06 0.00 -0.57 0.00 0.00 43.02 40.67 1ugj s PHE 109 CO 0.15 0.27 -0.12 0.99 -0.10 0.00 0.00 175.22 176.41 1ugj s THR 110 N -0.58 2.14 0.10 0.64 2.01 -0.94 -4.93 115.64 114.09 1ugj s THR 110 Ca 0.09 -2.24 -0.11 0.00 0.31 0.00 0.00 61.69 59.73 1ugj s THR 110 Cb -0.12 -2.47 -0.06 0.00 0.01 0.00 0.00 72.50 69.87 1ugj s THR 110 CO 0.02 -0.31 0.45 -1.58 -0.69 0.00 0.00 174.62 172.51 1ugj s GLN 111 N -3.61 3.83 0.03 4.92 0.74 -1.26 0.27 119.66 124.58 1ugj s GLN 111 Ca 0.30 0.28 -0.13 0.00 0.05 0.00 0.00 55.36 55.87 1ugj s GLN 111 Cb 0.00 -2.98 -0.06 0.00 1.10 0.00 0.00 33.01 31.08 1ugj s GLN 111 CO 0.14 0.53 0.41 0.42 -0.55 0.00 0.00 175.29 176.24 1ugj s ILE 112 N -1.42 5.05 -1.45 -2.34 -1.09 -1.01 -4.82 121.20 114.12 1ugj s ILE 112 Ca 0.35 0.70 0.23 0.00 -2.23 0.00 0.00 60.65 59.69 1ugj s ILE 112 Cb -0.14 -3.68 0.41 0.00 -1.58 0.00 0.00 42.46 37.46 1ugj s ILE 112 CO 0.18 0.47 1.74 -0.81 -1.23 0.00 0.00 174.94 175.29 1ugj n PRO 113 N 1.47 0.34 -4.19 2.79 -0.04 -1.26 -4.73 135.00 129.38 1ugj n PRO 113 Ca -0.12 0.07 -0.28 0.00 -0.04 0.00 0.00 63.50 63.13 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 -2.55 3.17 -2.00 0.55 0.00 -1.26 -5.01 121.76 114.66 1ugj s ALA 114 Ca 0.22 -1.28 0.20 0.00 0.00 0.00 0.00 51.96 51.10 1ugj s ALA 114 Cb 0.15 -1.02 0.44 0.00 0.00 0.00 0.00 23.12 22.69 1ugj s ALA 114 CO 0.34 0.57 1.37 1.63 0.00 0.00 0.00 175.76 179.68 1ugj n LYS 115 N 0.23 2.47 -3.97 0.00 4.01 -1.26 -4.66 118.16 114.99 1ugj n LYS 115 Ca -0.11 -2.27 -0.23 0.00 -0.51 0.00 0.00 58.31 55.19 1ugj n LYS 115 Cb 0.54 -1.47 -0.06 0.00 -0.51 0.00 0.00 35.03 33.53 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 -1.24 2.51 0.14 -0.18 2.01 -1.26 -4.91 115.64 112.71 1ugj s THR 116 Ca 0.37 -1.60 -0.30 0.00 0.31 0.00 0.00 61.69 60.47 1ugj s THR 116 Cb 0.21 -3.00 -0.07 0.00 0.01 0.00 0.00 72.50 69.65 1ugj s THR 116 CO 0.28 -0.03 1.18 -0.04 -0.69 0.00 0.00 174.62 175.32 1ugj s MET 117 N -3.96 4.49 0.04 4.92 -1.94 -1.26 -4.99 119.30 116.60 1ugj s MET 117 Ca 0.43 1.81 -0.14 0.00 -1.71 0.00 0.00 55.69 56.07 1ugj s MET 117 Cb 0.01 -3.28 0.02 0.00 2.01 0.00 0.00 34.83 33.59 1ugj s MET 117 CO 0.24 -0.11 0.32 -1.54 -0.01 0.00 0.00 175.02 173.91 1ugj s SER 118 N 0.40 -0.15 0.35 3.03 1.04 -1.26 -5.01 113.70 112.10 1ugj s SER 118 Ca 0.54 -0.15 0.22 0.00 0.48 0.00 0.00 55.95 57.04 1ugj s SER 118 Cb -0.31 0.36 1.18 0.00 0.10 0.00 0.00 66.02 67.35 1ugj s SER 118 CO 0.34 -0.61 1.64 -0.03 0.98 0.00 0.00 173.24 175.56 1ugj h MET 119 N 3.24 0.00 -1.16 4.02 1.85 -1.97 -0.73 114.93 120.18 1ugj h MET 119 Ca -0.31 0.00 -0.33 0.00 -0.61 0.00 0.00 59.70 58.44 1ugj h MET 119 Cb 1.20 0.00 -0.17 0.00 0.43 0.00 0.00 31.60 33.06 1ugj h MET 119 CO 0.45 0.00 0.43 0.43 -0.40 0.00 0.00 176.91 177.82 1ugj n SER 120 N -2.29 4.67 -4.15 1.39 7.64 -1.26 -4.85 113.62 114.77 1ugj n SER 120 Ca -0.01 -3.03 -0.20 0.00 1.01 0.00 0.00 58.87 56.64 1ugj n SER 120 Cb 0.10 -0.83 -0.13 0.00 -1.01 0.00 0.00 64.21 62.34 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 -2.22 1.13 0.00 0.44 1.01 -0.28 -4.32 120.40 116.16 1ugj s VAL 121 Ca 0.34 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1ugj s VAL 121 Cb 0.28 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.64 1ugj s VAL 121 CO 0.04 -0.03 0.83 0.47 0.00 0.00 0.00 175.10 176.40 1ugj n ASP 122 N 1.77 0.02 -3.59 3.32 9.92 0.43 -4.85 116.55 123.58 1ugj n ASP 122 Ca -0.19 -1.64 -0.07 0.00 -0.53 0.00 0.00 54.79 52.36 1ugj n ASP 122 Cb 0.55 -0.12 -0.04 0.00 -0.64 0.00 0.00 41.12 40.87 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 -1.99 0.02 2.24 0.00 -0.23 -4.03 121.76 117.77 1ugj s ALA 123 Ca 0.01 1.57 -0.28 0.00 0.00 0.00 0.00 51.96 53.27 1ugj s ALA 123 Cb 0.02 -0.56 0.10 0.00 0.00 0.00 0.00 23.12 22.68 1ugj s ALA 123 CO -0.01 -0.43 0.83 -0.59 0.00 0.00 0.00 175.76 175.57 1ugj s PHE 124 N -1.74 -0.38 -0.07 0.00 -0.71 -1.20 -0.58 117.98 113.30 1ugj s PHE 124 Ca 0.04 0.24 -0.03 0.00 -1.04 0.00 0.00 56.93 56.15 1ugj s PHE 124 Cb -0.01 0.54 0.04 0.00 -1.21 0.00 0.00 43.02 42.38 1ugj s PHE 124 CO -0.04 -0.60 0.12 0.95 -1.34 0.00 0.00 175.22 174.31 1ugj s THR 125 N -3.20 -0.20 0.73 -4.49 -4.23 -0.71 -3.54 115.64 100.00 1ugj s THR 125 Ca 0.04 0.39 -0.11 0.00 -1.18 0.00 0.00 61.69 60.83 1ugj s THR 125 Cb -0.01 -0.23 0.03 0.00 1.34 0.00 0.00 72.50 73.62 1ugj s THR 125 CO -0.10 0.16 1.07 0.27 -0.54 0.00 0.00 174.62 175.49 1ugj s ILE 126 N 2.24 3.75 1.03 2.99 -4.36 -1.26 0.19 121.20 125.78 1ugj s ILE 126 Ca 0.04 0.57 -0.20 0.00 -0.26 0.00 0.00 60.65 60.80 1ugj s ILE 126 Cb -0.12 -3.21 -0.05 0.00 1.25 0.00 0.00 42.46 40.33 1ugj s ILE 126 CO -0.05 -0.74 -0.57 0.00 0.24 0.00 0.00 174.94 173.83 1ugj n GLN 127 N -3.29 -0.58 0.07 0.37 6.02 0.62 -4.53 117.38 116.07 1ugj n GLN 127 Ca 0.08 -0.16 -0.19 0.00 -0.01 0.00 0.00 57.00 56.72 1ugj n GLN 127 Cb 0.53 -1.38 -0.15 0.00 1.02 0.00 0.00 30.24 30.27 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 -1.45 0.37 1.37 1.08 0.00 -1.94 -3.28 103.07 99.22 1ugj h GLY 128 Ca -0.46 -0.94 0.07 0.00 0.00 0.00 0.00 47.33 46.00 1ugj h GLY 128 CO 0.29 0.83 0.24 1.12 0.00 0.00 0.00 176.54 179.02 1ugj h HIS 129 N 0.09 0.00 -0.29 5.60 2.07 -1.89 0.16 115.15 120.89 1ugj h HIS 129 Ca -0.28 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.11 1ugj h HIS 129 Cb 2.06 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 32.03 1ugj h HIS 129 CO 0.08 0.00 -0.36 -0.07 -3.07 0.00 0.00 177.93 174.51 1ugj h LEU 130 N 0.00 0.81 0.00 6.12 3.38 -1.74 -3.38 115.31 120.51 1ugj h LEU 130 Ca 0.12 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1ugj h LEU 130 Cb 0.60 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1ugj h LEU 130 CO -0.00 1.14 0.00 0.79 0.09 0.00 0.00 178.44 180.46 1ugj n TRP 131 N -4.19 0.00 -1.55 1.13 7.02 0.54 -4.37 117.44 116.01 1ugj n TRP 131 Ca -0.04 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.03 1ugj n TRP 131 Cb 0.52 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.36 1ugj n TRP 131 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ugj n GLN 132 N -0.09 1.38 -0.89 -0.99 -0.00 -0.98 -4.42 117.38 111.39 1ugj n GLN 132 Ca 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 57.00 57.26 1ugj n GLN 132 Cb 0.00 -3.14 0.00 0.00 -0.00 0.00 0.00 30.24 27.10 1ugj n GLN 132 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1ugj n SER 133 N 13.13 -5.24 -4.86 2.61 7.64 -1.26 -4.70 113.62 120.94 1ugj n SER 133 Ca 0.36 0.70 -0.34 0.00 1.01 0.00 0.00 58.87 60.60 1ugj n SER 133 Cb 0.44 -2.24 -0.06 0.00 -1.01 0.00 0.00 64.21 61.34 1ugj n SER 133 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1ugj s LYS 134 N -4.77 3.89 -0.12 1.43 2.20 -1.26 -4.25 119.74 116.86 1ugj s LYS 134 Ca 0.00 0.38 -0.07 0.00 -0.36 0.00 0.00 55.97 55.92 1ugj s LYS 134 Cb 0.00 -2.78 0.01 0.00 -1.51 0.00 0.00 37.83 33.55 1ugj s LYS 134 CO 0.00 0.40 0.13 1.17 -0.36 0.00 0.00 175.35 176.68 1ugj n LYS 135 N 0.33 -0.89 -0.07 4.03 3.00 -1.26 -4.92 118.16 118.38 1ugj n LYS 135 Ca -0.02 1.09 -0.10 0.00 -0.00 0.00 0.00 58.31 59.27 1ugj n LYS 135 Cb 0.52 -1.66 -0.09 0.00 0.00 0.00 0.00 35.03 33.80 1ugj n LYS 135 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1ugj h SER 136 N 3.25 0.00 -2.88 3.14 0.87 -1.81 -3.48 113.55 112.64 1ugj h SER 136 Ca -0.10 -0.68 -0.51 0.00 -1.23 0.00 0.00 61.79 59.27 1ugj h SER 136 Cb 0.98 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.80 1ugj h SER 136 CO 0.05 0.89 -0.61 -0.83 -0.53 0.00 0.00 176.83 175.80 1ugj s GLY 137 N -4.07 2.17 1.11 5.77 0.00 -1.26 -5.16 107.32 105.88 1ugj s GLY 137 Ca -0.14 -2.11 -0.19 0.00 0.00 0.00 0.00 44.72 42.28 1ugj s GLY 137 CO 0.49 -1.88 1.24 2.56 0.00 0.00 0.00 173.10 175.50 1ugj s PRO 138 N -3.85 -0.56 -0.18 2.90 0.04 -1.26 -5.10 135.00 126.99 1ugj s PRO 138 Ca 0.36 -0.35 -0.29 0.00 0.04 0.00 0.00 61.00 60.76 1ugj s PRO 138 Cb 0.09 -1.70 0.11 0.00 0.04 0.00 0.00 34.50 33.04 1ugj s PRO 138 CO 0.16 -3.23 0.93 -1.54 0.04 0.00 0.00 177.00 173.37 1ugj s SER 139 N -4.48 -0.47 -0.12 6.66 1.04 -1.26 -5.18 113.70 109.88 1ugj s SER 139 Ca 0.74 0.65 -0.33 0.00 0.48 0.00 0.00 55.95 57.49 1ugj s SER 139 Cb -0.05 0.57 0.13 0.00 0.10 0.00 0.00 66.02 66.77 1ugj s SER 139 CO 0.55 -0.33 1.11 -0.55 0.98 0.00 0.00 173.24 174.99 1ugj s SER 140 N -0.68 -0.20 0.00 7.02 0.15 -1.26 -5.30 113.70 113.42 1ugj s SER 140 Ca -0.02 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1ugj s SER 140 Cb -0.02 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 1ugj s SER 140 CO 0.01 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.70