#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 2.50 -0.09 1.61 1.04 -1.26 -5.12 113.70 112.38 1ugj s SER 2 Ca 0.00 -1.37 -0.33 0.00 0.48 0.00 0.00 55.95 54.73 1ugj s SER 2 Cb 0.00 0.04 0.14 0.00 0.10 0.00 0.00 66.02 66.29 1ugj s SER 2 CO 0.00 -0.37 1.33 -0.55 0.98 0.00 0.00 173.24 174.63 1ugj s SER 3 N 1.85 -0.05 0.00 7.02 0.15 -1.26 -5.17 113.70 116.25 1ugj s SER 3 Ca 0.12 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1ugj s SER 3 Cb -0.17 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 1ugj s SER 3 CO -0.22 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1ugj n GLY 4 N -0.39 3.45 3.37 9.45 0.00 -1.26 -5.19 105.19 114.62 1ugj n GLY 4 Ca -0.06 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 1ugj n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ugj s SER 5 N 0.00 0.02 0.92 1.61 0.15 -1.26 -5.17 113.70 109.98 1ugj s SER 5 Ca 0.00 -0.92 -0.13 0.00 0.70 0.00 0.00 55.95 55.60 1ugj s SER 5 Cb 0.00 0.46 0.15 0.00 -1.71 0.00 0.00 66.02 64.91 1ugj s SER 5 CO 0.00 -0.93 1.16 -0.44 1.20 0.00 0.00 173.24 174.23 1ugj s SER 6 N -2.99 3.40 0.00 5.45 0.01 -1.26 -5.06 113.70 113.25 1ugj s SER 6 Ca 0.20 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.30 1ugj s SER 6 Cb 0.03 -1.32 0.00 0.00 0.21 0.00 0.00 66.02 64.94 1ugj s SER 6 CO 0.02 -2.61 0.00 0.61 0.41 0.00 0.00 173.24 171.68 1ugj n GLY 7 N -2.43 3.20 3.76 3.44 0.00 -1.26 -5.16 105.19 106.74 1ugj n GLY 7 Ca 0.08 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 2.31 -0.60 0.00 1.61 0.04 -1.26 -5.10 135.00 131.99 1ugj s PRO 8 Ca 0.00 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 60.67 1ugj s PRO 8 Cb 0.00 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.84 1ugj s PRO 8 CO 0.00 -3.25 0.00 0.54 0.04 0.00 0.00 177.00 174.33 1ugj n ARG 9 N -4.37 1.38 0.00 4.56 5.12 -1.26 -5.16 116.66 116.93 1ugj n ARG 9 Ca 0.16 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 1ugj n ARG 9 Cb 0.59 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.89 1ugj n ARG 9 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1ugj n LEU 10 N 0.00 0.00 -3.18 0.55 4.77 -1.26 -5.07 117.00 112.81 1ugj n LEU 10 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 1ugj n LEU 10 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1ugj n LEU 10 CO 0.00 0.00 0.12 -0.47 -1.33 0.00 0.00 177.39 175.71 1ugj s TYR 11 N 0.00 -1.66 -0.05 -1.77 5.04 -1.26 -5.14 117.35 112.52 1ugj s TYR 11 Ca 0.00 0.32 0.03 0.00 -2.44 0.00 0.00 57.07 54.98 1ugj s TYR 11 Cb 0.00 0.30 0.01 0.00 0.35 0.00 0.00 41.96 42.62 1ugj s TYR 11 CO 0.00 -1.11 -0.12 0.15 -1.34 0.00 0.00 175.55 173.13 1ugj s LYS 12 N 1.96 1.45 0.62 4.97 -0.14 -1.26 -5.12 119.74 122.22 1ugj s LYS 12 Ca 0.15 -0.41 -0.18 0.00 -1.36 0.00 0.00 55.97 54.18 1ugj s LYS 12 Cb -0.04 -1.26 -0.15 0.00 -1.68 0.00 0.00 37.83 34.70 1ugj s LYS 12 CO -0.09 0.10 -0.25 0.39 -0.76 0.00 0.00 175.35 174.73 1ugj n GLU 13 N 3.52 0.01 -1.53 1.68 1.02 -1.26 -4.92 120.64 119.15 1ugj n GLU 13 Ca -0.21 0.01 -0.29 0.00 -0.02 0.00 0.00 57.16 56.65 1ugj n GLU 13 Cb 0.53 -1.03 0.14 0.00 -0.02 0.00 0.00 31.44 31.06 1ugj n GLU 13 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1ugj s PRO 14 N -1.28 0.96 -0.21 3.49 0.04 -1.26 -5.07 135.00 131.68 1ugj s PRO 14 Ca 0.54 0.23 -0.04 0.00 0.04 0.00 0.00 61.00 61.76 1ugj s PRO 14 Cb -0.42 -1.82 0.07 0.00 0.04 0.00 0.00 34.50 32.36 1ugj s PRO 14 CO 0.69 -2.30 0.08 -1.54 0.04 0.00 0.00 177.00 173.97 1ugj s SER 15 N -4.07 2.85 -0.60 6.66 1.04 -1.26 -5.08 113.70 113.24 1ugj s SER 15 Ca 0.65 -0.86 -0.26 0.00 0.48 0.00 0.00 55.95 55.95 1ugj s SER 15 Cb -0.14 -0.43 -0.03 0.00 0.10 0.00 0.00 66.02 65.52 1ugj s SER 15 CO 0.53 -0.35 1.97 0.00 0.98 0.00 0.00 173.24 176.37 1ugj s ALA 16 N 1.99 2.04 -0.15 5.32 0.00 -1.26 -4.71 121.76 124.99 1ugj s ALA 16 Ca 0.03 -0.56 0.18 0.00 0.00 0.00 0.00 51.96 51.61 1ugj s ALA 16 Cb -0.16 -4.32 0.45 0.00 0.00 0.00 0.00 23.12 19.08 1ugj s ALA 16 CO -0.14 -4.05 1.18 1.63 0.00 0.00 0.00 175.76 174.37 1ugj n LYS 17 N 9.15 1.33 -1.36 0.00 5.02 -1.26 -5.10 118.16 125.94 1ugj n LYS 17 Ca 0.24 -2.99 -0.45 0.00 -2.02 0.00 0.00 58.31 53.09 1ugj n LYS 17 Cb 0.52 -1.11 -0.02 0.00 -0.02 0.00 0.00 35.03 34.40 1ugj n LYS 17 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1ugj n SER 18 N -0.35 -1.87 -2.48 4.39 3.41 -1.26 -4.90 113.62 110.56 1ugj n SER 18 Ca 0.16 0.99 -0.12 0.00 -0.26 0.00 0.00 58.87 59.64 1ugj n SER 18 Cb 0.92 -0.93 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1ugj n SER 18 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1ugj n ASN 19 N 2.11 3.09 -0.03 4.04 6.94 -0.92 -4.83 115.26 125.65 1ugj n ASN 19 Ca 0.15 -2.87 -0.15 0.00 -0.02 0.00 0.00 54.58 51.69 1ugj n ASN 19 Cb 0.32 -0.43 -0.12 0.00 -2.36 0.00 0.00 39.78 37.19 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 2.47 0.12 0.00 -3.83 3.64 -1.82 -3.02 116.57 114.14 1ugj h LYS 20 Ca 0.09 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1ugj h LYS 20 Cb 1.34 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1ugj h LYS 20 CO 0.48 0.91 -0.07 0.74 -2.27 0.00 0.00 179.45 179.24 1ugj h PHE 21 N -0.62 0.00 0.00 1.91 -1.00 -1.88 0.50 116.94 115.85 1ugj h PHE 21 Ca -0.02 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.64 1ugj h PHE 21 Cb 0.98 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.52 1ugj h PHE 21 CO 0.20 0.07 -0.55 0.82 -1.61 0.00 0.00 178.31 177.23 1ugj h ILE 22 N 0.00 1.21 0.01 -0.55 2.04 -1.90 -3.17 117.51 115.15 1ugj h ILE 22 Ca -0.00 -2.02 -0.07 0.00 1.00 0.00 0.00 64.86 63.77 1ugj h ILE 22 Cb 0.18 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1ugj h ILE 22 CO 0.01 0.54 -0.38 0.40 0.00 0.00 0.00 178.15 178.72 1ugj h ILE 23 N 0.00 1.56 -1.45 -0.67 1.08 -0.88 -2.50 117.51 114.65 1ugj h ILE 23 Ca -0.01 -2.33 0.42 0.00 -0.39 0.00 0.00 64.86 62.56 1ugj h ILE 23 Cb 1.10 3.10 -0.06 0.00 -3.07 0.00 0.00 36.82 37.89 1ugj h ILE 23 CO 0.07 0.55 1.19 -0.74 -0.69 0.00 0.00 178.15 178.53 1ugj h HIS 24 N -0.94 0.00 0.09 1.37 2.76 -1.02 1.31 115.15 118.72 1ugj h HIS 24 Ca -0.10 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.75 1ugj h HIS 24 Cb 1.14 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.08 1ugj h HIS 24 CO 0.23 0.00 -1.73 -0.91 -1.30 0.00 0.00 177.93 174.22 1ugj h ASN 25 N 0.00 0.30 -1.27 3.26 2.35 -1.61 -3.29 115.58 115.31 1ugj h ASN 25 Ca 0.69 -0.81 0.37 0.00 -0.55 0.00 0.00 56.30 55.99 1ugj h ASN 25 Cb 3.06 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 41.27 1ugj h ASN 25 CO -0.01 1.73 0.90 0.00 -1.65 0.00 0.00 177.43 178.40 1ugj h ALA 26 N -0.11 3.06 0.01 -0.83 0.00 0.21 1.62 119.26 123.21 1ugj h ALA 26 Ca -0.39 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1ugj h ALA 26 Cb 1.80 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1ugj h ALA 26 CO -0.00 -1.45 -0.00 -0.07 0.00 0.00 0.00 179.25 177.72 1ugj h LEU 27 N 0.07 -0.01 0.00 0.00 3.38 -1.23 -2.36 115.31 115.15 1ugj h LEU 27 Ca 0.63 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ugj h LEU 27 Cb 2.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.12 1ugj h LEU 27 CO -0.08 0.66 0.00 -1.20 0.09 0.00 0.00 178.44 177.91 1ugj n SER 28 N -4.77 0.00 -0.06 -0.43 7.64 0.19 -0.21 113.62 115.98 1ugj n SER 28 Ca -0.09 -0.79 -0.18 0.00 1.01 0.00 0.00 58.87 58.82 1ugj n SER 28 Cb 0.33 -0.01 -0.13 0.00 -1.01 0.00 0.00 64.21 63.39 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 0.12 0.00 1.43 3.86 0.22 -3.44 115.15 117.34 1ugj h HIS 29 Ca 0.00 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1ugj h HIS 29 Cb 0.01 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1ugj h HIS 29 CO 0.00 1.26 0.00 0.00 0.86 0.00 0.00 177.93 180.05 1ugj n LEU 32 N -5.41 0.69 -4.49 0.00 4.77 0.70 -2.86 117.00 110.41 1ugj n LEU 32 Ca 0.27 -3.49 -0.34 0.00 -0.03 0.00 0.00 56.01 52.41 1ugj n LEU 32 Cb 0.89 0.35 -0.12 0.00 -2.33 0.00 0.00 43.42 42.21 1ugj n LEU 32 CO -0.05 1.52 -0.33 0.00 -1.33 0.00 0.00 177.39 177.20 1ugj s ALA 33 N -2.47 3.06 0.00 -1.18 0.00 0.03 -4.40 121.76 116.80 1ugj s ALA 33 Ca 0.25 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1ugj s ALA 33 Cb 0.42 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.84 1ugj s ALA 33 CO -0.01 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.18 1ugj n GLY 34 N 3.90 3.32 0.20 0.00 0.00 -1.26 -4.81 105.19 106.54 1ugj n GLY 34 Ca -0.17 -1.42 -0.11 0.00 0.00 0.00 0.00 46.02 44.33 1ugj n GLY 34 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ugj h LYS 35 N 0.00 0.55 0.00 1.61 3.64 -1.98 -1.56 116.57 118.83 1ugj h LYS 35 Ca 0.00 -0.38 -0.03 0.00 -1.27 0.00 0.00 60.65 58.97 1ugj h LYS 35 Cb 0.00 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1ugj h LYS 35 CO 0.00 1.00 -0.12 -0.39 -2.27 0.00 0.00 179.45 177.67 1ugj h VAL 36 N 0.41 0.58 -0.35 2.00 -1.51 -2.00 -1.47 116.25 113.91 1ugj h VAL 36 Ca -0.01 -0.53 -0.21 0.00 -1.23 0.00 0.00 66.70 64.72 1ugj h VAL 36 Cb 1.19 1.34 -0.13 0.00 -2.13 0.00 0.00 31.29 31.56 1ugj h VAL 36 CO 0.12 0.12 -0.21 0.59 -1.23 0.00 0.00 177.57 176.95 1ugj n ASN 37 N -3.67 2.77 0.10 4.19 3.02 -1.00 -4.62 115.26 116.06 1ugj n ASN 37 Ca -0.02 -3.82 -0.23 0.00 -0.03 0.00 0.00 54.58 50.49 1ugj n ASN 37 Cb 0.24 -0.60 -0.15 0.00 -0.61 0.00 0.00 39.78 38.66 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 1.17 0.49 -0.05 3.52 4.81 -0.25 -1.23 114.58 123.05 1ugj h GLU 38 Ca 0.21 -0.78 -0.20 0.00 -0.13 0.00 0.00 59.36 58.46 1ugj h GLU 38 Cb 1.48 0.28 0.01 0.00 0.63 0.00 0.00 28.75 31.15 1ugj h GLU 38 CO 0.40 1.36 -0.76 -1.00 -0.73 0.00 0.00 179.01 178.28 1ugj h PRO 39 N 0.02 0.60 0.34 0.92 0.13 -1.82 -3.16 132.00 129.03 1ugj h PRO 39 Ca -0.20 -0.58 -0.02 0.00 -0.87 0.00 0.00 66.00 64.33 1ugj h PRO 39 Cb 1.93 0.15 0.00 0.00 0.13 0.00 0.00 31.00 33.21 1ugj h PRO 39 CO 0.23 1.20 -0.16 0.37 -0.23 0.00 0.00 178.00 179.40 1ugj h GLN 40 N 0.22 -0.44 -0.88 0.86 4.15 -1.85 -2.75 115.11 114.41 1ugj h GLN 40 Ca -0.08 0.03 0.15 0.00 0.77 0.00 0.00 58.65 59.52 1ugj h GLN 40 Cb 1.43 0.10 -0.15 0.00 0.21 0.00 0.00 27.48 29.06 1ugj h GLN 40 CO 0.15 -0.12 -0.29 1.17 -1.93 0.00 0.00 178.83 177.81 1ugj n LYS 41 N -5.12 -0.15 -0.10 1.69 4.81 -0.46 0.22 118.16 119.05 1ugj n LYS 41 Ca -0.09 1.37 -0.06 0.00 -0.87 0.00 0.00 58.31 58.66 1ugj n LYS 41 Cb 0.27 -2.03 0.01 0.00 0.02 0.00 0.00 35.03 33.30 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 -0.00 -0.87 3.14 2.35 -1.56 0.51 115.58 119.16 1ugj h ASN 42 Ca 0.36 0.06 0.16 0.00 -0.55 0.00 0.00 56.30 56.32 1ugj h ASN 42 Cb 0.58 0.08 -0.07 0.00 0.05 0.00 0.00 38.32 38.96 1ugj h ASN 42 CO -0.89 0.04 0.57 0.03 -1.65 0.00 0.00 177.43 175.52 1ugj h ARG 43 N 0.18 0.58 -0.02 0.81 3.08 0.30 0.35 114.38 119.65 1ugj h ARG 43 Ca 0.16 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.05 1ugj h ARG 43 Cb 0.19 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.11 1ugj h ARG 43 CO -0.22 0.38 -0.47 0.82 -1.07 0.00 0.00 179.97 179.42 1ugj h ILE 44 N 0.59 1.45 -0.69 2.04 1.08 0.12 -1.37 117.51 120.73 1ugj h ILE 44 Ca 0.44 -1.97 0.09 0.00 -0.39 0.00 0.00 64.86 63.03 1ugj h ILE 44 Cb 0.83 2.56 -0.04 0.00 -3.07 0.00 0.00 36.82 37.10 1ugj h ILE 44 CO -0.19 0.57 0.46 -0.07 -0.69 0.00 0.00 178.15 178.22 1ugj h LEU 45 N -0.19 0.53 0.37 1.44 3.38 0.15 -1.76 115.31 119.23 1ugj h LEU 45 Ca -0.05 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1ugj h LEU 45 Cb 1.17 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1ugj h LEU 45 CO 0.09 0.32 -0.18 -0.33 0.09 0.00 0.00 178.44 178.44 1ugj h GLU 46 N 0.60 -0.48 -0.93 1.13 5.08 -0.34 -2.54 114.58 117.10 1ugj h GLU 46 Ca 0.32 0.03 0.22 0.00 -1.00 0.00 0.00 59.36 58.93 1ugj h GLU 46 Cb 0.45 0.11 -0.17 0.00 0.50 0.00 0.00 28.75 29.63 1ugj h GLU 46 CO -0.11 -0.31 -0.09 0.39 -1.00 0.00 0.00 179.01 177.89 1ugj n GLU 47 N -5.11 -0.08 0.18 2.33 -0.58 -0.52 0.20 120.64 117.06 1ugj n GLU 47 Ca -0.06 1.41 -0.15 0.00 -0.42 0.00 0.00 57.16 57.95 1ugj n GLU 47 Cb 0.20 -2.19 -0.08 0.00 -0.57 0.00 0.00 31.44 28.80 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 0.72 -0.57 -3.67 2.04 -1.39 1.11 117.51 115.74 1ugj h ILE 48 Ca 0.51 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 66.32 1ugj h ILE 48 Cb 0.95 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 1ugj h ILE 48 CO -0.91 0.02 0.38 -0.33 0.00 0.00 0.00 178.15 177.31 1ugj h GLU 49 N -0.44 0.68 -0.03 2.37 4.39 0.12 -0.70 114.58 120.97 1ugj h GLU 49 Ca -0.04 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.43 1ugj h GLU 49 Cb 0.33 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1ugj h GLU 49 CO 0.07 0.45 -0.80 1.57 -1.16 0.00 0.00 179.01 179.14 1ugj h LYS 50 N 0.70 0.27 -6.84 2.33 2.10 0.28 -3.44 116.57 111.97 1ugj h LYS 50 Ca 0.22 -0.25 -0.50 0.00 -2.00 0.00 0.00 60.65 58.13 1ugj h LYS 50 Cb 0.03 0.06 0.01 0.00 -0.90 0.00 0.00 32.23 31.43 1ugj h LYS 50 CO -0.06 0.93 0.43 0.45 -2.00 0.00 0.00 179.45 179.21 1ugj s SER 51 N -6.95 7.21 -0.24 7.07 0.15 0.38 -4.92 113.70 116.40 1ugj s SER 51 Ca -0.04 2.15 0.05 0.00 0.70 0.00 0.00 55.95 58.81 1ugj s SER 51 Cb 0.10 -2.61 0.47 0.00 -1.71 0.00 0.00 66.02 62.27 1ugj s SER 51 CO 0.83 -0.18 1.48 0.29 1.20 0.00 0.00 173.24 176.87 1ugj n LYS 52 N 0.91 2.45 -3.04 5.44 4.76 -1.26 -4.86 118.16 122.55 1ugj n LYS 52 Ca 0.00 -1.97 -0.30 0.00 -2.87 0.00 0.00 58.31 53.17 1ugj n LYS 52 Cb 0.46 -1.85 -0.03 0.00 -1.84 0.00 0.00 35.03 31.77 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 -2.13 3.44 -0.08 7.82 0.00 -1.26 -5.00 121.76 124.56 1ugj s ALA 53 Ca 0.36 -0.30 0.08 0.00 0.00 0.00 0.00 51.96 52.10 1ugj s ALA 53 Cb 0.29 -2.57 -0.12 0.00 0.00 0.00 0.00 23.12 20.72 1ugj s ALA 53 CO 0.08 0.11 0.05 0.09 0.00 0.00 0.00 175.76 176.09 1ugj n ASN 54 N -1.09 2.71 -4.31 0.00 3.02 -1.26 -4.93 115.26 109.40 1ugj n ASN 54 Ca 0.01 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.21 1ugj n ASN 54 Cb 0.54 0.81 -0.14 0.00 -0.61 0.00 0.00 39.78 40.38 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 -2.28 2.98 -0.04 3.10 2.46 -1.26 -2.17 115.29 118.08 1ugj s HIS 55 Ca -0.04 -0.95 0.05 0.00 0.47 0.00 0.00 55.06 54.59 1ugj s HIS 55 Cb 0.03 -2.12 -0.01 0.00 -0.13 0.00 0.00 32.58 30.36 1ugj s HIS 55 CO 0.38 -0.55 -0.20 -0.06 -2.47 0.00 0.00 174.74 171.84 1ugj s PHE 56 N 1.48 1.92 0.20 3.88 0.40 -1.26 -1.48 117.98 123.11 1ugj s PHE 56 Ca 0.05 -0.50 0.10 0.00 -0.60 0.00 0.00 56.93 55.98 1ugj s PHE 56 Cb -0.15 -1.27 -0.04 0.00 0.51 0.00 0.00 43.02 42.08 1ugj s PHE 56 CO -0.03 -0.14 -0.12 -0.51 0.70 0.00 0.00 175.22 175.13 1ugj s LEU 57 N -0.17 2.87 -0.22 -0.37 1.02 0.35 -4.80 118.68 117.37 1ugj s LEU 57 Ca -0.00 -0.66 -0.05 0.00 0.02 0.00 0.00 54.13 53.44 1ugj s LEU 57 Cb -0.11 -1.54 -0.02 0.00 0.02 0.00 0.00 46.19 44.54 1ugj s LEU 57 CO 0.02 0.09 0.00 -0.63 0.02 0.00 0.00 176.35 175.85 1ugj s ILE 58 N -1.80 3.84 -0.24 -0.59 1.01 -1.26 -1.79 121.20 120.37 1ugj s ILE 58 Ca 0.25 -0.34 -0.21 0.00 0.00 0.00 0.00 60.65 60.35 1ugj s ILE 58 Cb -0.08 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 1ugj s ILE 58 CO 0.15 0.40 0.65 -0.22 0.00 0.00 0.00 174.94 175.92 1ugj s LEU 59 N 1.31 4.07 0.52 2.97 2.96 0.17 -2.96 118.68 127.72 1ugj s LEU 59 Ca 0.04 0.75 0.08 0.00 -0.22 0.00 0.00 54.13 54.79 1ugj s LEU 59 Cb -0.15 -2.89 0.05 0.00 0.50 0.00 0.00 46.19 43.71 1ugj s LEU 59 CO 0.01 -0.37 0.61 -0.36 -1.32 0.00 0.00 176.35 174.92 1ugj s PHE 60 N 2.44 1.90 0.02 5.38 0.40 -1.24 0.19 117.98 127.08 1ugj s PHE 60 Ca 0.27 -0.66 -0.17 0.00 -0.60 0.00 0.00 56.93 55.77 1ugj s PHE 60 Cb -0.16 -2.18 -0.29 0.00 0.51 0.00 0.00 43.02 40.91 1ugj s PHE 60 CO 0.09 -0.73 1.06 -0.09 0.70 0.00 0.00 175.22 176.24 1ugj h ARG 61 N 0.50 0.52 0.00 0.44 1.12 -1.58 -3.45 114.38 111.94 1ugj h ARG 61 Ca -0.35 -0.70 0.00 0.00 -1.11 0.00 0.00 59.98 57.82 1ugj h ARG 61 Cb 1.29 0.23 0.00 0.00 -0.01 0.00 0.00 29.97 31.48 1ugj h ARG 61 CO 0.47 1.31 0.00 -0.40 -3.11 0.00 0.00 179.97 178.24 1ugj n ASP 62 N -3.94 0.00 -2.24 -3.80 5.75 -1.26 -4.97 116.55 106.09 1ugj n ASP 62 Ca -0.13 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.62 1ugj n ASP 62 Cb 0.90 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.99 1ugj n ASP 62 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1ugj n SER 63 N 0.00 -5.45 -4.03 -1.12 2.88 -1.26 -3.83 113.62 100.81 1ugj n SER 63 Ca 0.00 0.52 -0.30 0.00 -1.33 0.00 0.00 58.87 57.77 1ugj n SER 63 Cb 0.00 -3.52 -0.08 0.00 -0.75 0.00 0.00 64.21 59.86 1ugj n SER 63 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ugj n SER 64 N -0.06 -0.06 -4.01 -3.46 3.41 -1.26 -4.76 113.62 103.42 1ugj n SER 64 Ca 0.04 -1.06 -0.43 0.00 -0.26 0.00 0.00 58.87 57.16 1ugj n SER 64 Cb 0.16 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 62.78 1ugj n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ugj n GLN 66 N 3.70 -1.28 -3.21 0.00 6.02 -1.26 -2.34 117.38 119.00 1ugj n GLN 66 Ca 0.36 0.84 -0.39 0.00 -0.01 0.00 0.00 57.00 57.81 1ugj n GLN 66 Cb 0.37 -1.56 -0.06 0.00 1.02 0.00 0.00 30.24 30.01 1ugj n GLN 66 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1ugj s PHE 67 N -1.52 3.80 -0.05 1.08 2.19 -1.13 -3.89 117.98 118.46 1ugj s PHE 67 Ca 0.00 1.33 -0.00 0.00 0.33 0.00 0.00 56.93 58.59 1ugj s PHE 67 Cb 0.00 -2.57 -0.03 0.00 -1.31 0.00 0.00 43.02 39.11 1ugj s PHE 67 CO 0.00 0.53 -0.05 0.54 1.83 0.00 0.00 175.22 178.08 1ugj n ARG 68 N 1.88 0.12 -3.55 10.12 5.12 0.50 -4.90 116.66 125.94 1ugj n ARG 68 Ca -0.09 0.03 -0.11 0.00 -1.93 0.00 0.00 57.85 55.75 1ugj n ARG 68 Cb 0.50 -1.03 -0.04 0.00 -1.16 0.00 0.00 32.46 30.73 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 -2.10 -1.88 0.08 7.54 0.00 -0.88 -4.24 121.76 120.27 1ugj s ALA 69 Ca -0.07 1.41 0.01 0.00 0.00 0.00 0.00 51.96 53.31 1ugj s ALA 69 Cb 0.02 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1ugj s ALA 69 CO 0.11 -0.41 0.22 -1.17 0.00 0.00 0.00 175.76 174.51 1ugj s LEU 70 N -1.45 4.32 0.06 0.00 2.96 -1.08 0.43 118.68 123.91 1ugj s LEU 70 Ca -0.01 0.23 -0.09 0.00 -0.22 0.00 0.00 54.13 54.04 1ugj s LEU 70 Cb -0.01 -2.92 0.00 0.00 0.50 0.00 0.00 46.19 43.76 1ugj s LEU 70 CO 0.00 0.15 0.19 -0.31 -1.32 0.00 0.00 176.35 175.05 1ugj s TYR 71 N -1.55 0.11 -0.03 5.38 1.51 -0.74 -2.10 117.35 119.93 1ugj s TYR 71 Ca 0.35 -0.42 0.03 0.00 -1.01 0.00 0.00 57.07 56.02 1ugj s TYR 71 Cb -0.13 -0.05 -0.03 0.00 -0.11 0.00 0.00 41.96 41.64 1ugj s TYR 71 CO 0.28 -0.47 -0.10 0.95 -1.11 0.00 0.00 175.55 175.10 1ugj s THR 72 N -3.11 3.43 -0.04 -0.71 -4.23 -0.59 -0.50 115.64 109.90 1ugj s THR 72 Ca -0.01 -0.71 -0.23 0.00 -1.18 0.00 0.00 61.69 59.56 1ugj s THR 72 Cb 0.02 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 1ugj s THR 72 CO -0.07 0.50 0.68 -0.22 -0.54 0.00 0.00 174.62 174.97 1ugj s LEU 73 N -1.06 4.36 -0.37 4.79 2.96 -0.55 -0.88 118.68 127.93 1ugj s LEU 73 Ca 0.14 1.21 -0.29 0.00 -0.22 0.00 0.00 54.13 54.97 1ugj s LEU 73 Cb -0.11 -3.05 0.02 0.00 0.50 0.00 0.00 46.19 43.55 1ugj s LEU 73 CO 0.04 -0.04 1.13 -0.44 -1.32 0.00 0.00 176.35 175.71 1ugj s SER 74 N 0.42 6.80 0.51 3.68 0.01 -0.33 -4.73 113.70 120.05 1ugj s SER 74 Ca 0.36 0.87 0.34 0.00 1.31 0.00 0.00 55.95 58.83 1ugj s SER 74 Cb -0.18 -2.55 1.74 0.00 0.21 0.00 0.00 66.02 65.25 1ugj s SER 74 CO 0.18 -1.03 2.04 1.23 0.41 0.00 0.00 173.24 176.07 1ugj h GLY 75 N 10.58 0.00 1.91 3.44 0.00 -1.95 -0.78 103.07 116.27 1ugj h GLY 75 Ca -0.22 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.90 1ugj h GLY 75 CO 1.07 0.00 -0.97 1.05 0.00 0.00 0.00 176.54 177.69 1ugj h GLU 76 N 0.00 0.08 0.00 4.80 9.09 -1.97 -3.48 114.58 123.10 1ugj h GLU 76 Ca 0.00 -0.11 0.00 0.00 0.05 0.00 0.00 59.36 59.30 1ugj h GLU 76 Cb 0.14 0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.27 1ugj h GLU 76 CO 0.00 0.98 0.00 0.25 0.05 0.00 0.00 179.01 180.29 1ugj n THR 77 N -3.49 0.00 -0.22 -1.06 -2.24 -0.30 -5.06 114.28 101.91 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 0.89 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 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 0.83 -1.61 -0.78 1.02 -1.25 -4.55 120.64 114.30 1ugj n GLU 78 Ca 0.00 -0.85 -0.31 0.00 -0.02 0.00 0.00 57.16 55.98 1ugj n GLU 78 Cb 0.00 -0.89 0.05 0.00 -0.02 0.00 0.00 31.44 30.58 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 -0.40 2.89 -0.06 3.49 8.01 -1.26 -4.41 118.70 126.96 1ugj s GLU 79 Ca 0.00 0.88 0.05 0.00 0.01 0.00 0.00 54.97 55.90 1ugj s GLU 79 Cb 0.00 -1.99 -0.00 0.00 -4.31 0.00 0.00 34.13 27.83 1ugj s GLU 79 CO 0.00 -1.11 -0.21 -0.51 0.01 0.00 0.00 175.26 173.44 1ugj s LEU 80 N -5.53 1.98 0.04 1.80 1.43 0.34 -1.19 118.68 117.54 1ugj s LEU 80 Ca 0.58 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 53.23 1ugj s LEU 80 Cb -0.14 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 1ugj s LEU 80 CO 0.55 0.18 0.19 -0.55 0.23 0.00 0.00 176.35 176.94 1ugj s SER 81 N 0.09 6.27 -0.44 2.29 0.15 -0.06 0.18 113.70 122.18 1ugj s SER 81 Ca -0.08 0.27 -0.29 0.00 0.70 0.00 0.00 55.95 56.55 1ugj s SER 81 Cb -0.14 -1.92 0.01 0.00 -1.71 0.00 0.00 66.02 62.26 1ugj s SER 81 CO 0.04 0.20 1.38 -0.60 1.20 0.00 0.00 173.24 175.46 1ugj s ARG 82 N -2.28 3.56 -0.09 5.44 3.52 0.33 -1.54 118.95 127.90 1ugj s ARG 82 Ca 0.32 0.83 -0.03 0.00 -0.13 0.00 0.00 55.73 56.72 1ugj s ARG 82 Cb -0.13 -4.02 -0.01 0.00 -1.56 0.00 0.00 34.95 29.23 1ugj s ARG 82 CO 0.24 -1.58 0.10 1.25 -0.81 0.00 0.00 175.30 174.50 1ugj h LEU 83 N 12.18 -0.07 -8.21 -0.88 5.85 -1.74 -3.48 115.31 118.95 1ugj h LEU 83 Ca -0.27 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.36 1ugj h LEU 83 Cb 1.10 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 1ugj h LEU 83 CO 1.10 0.42 0.02 0.00 -0.34 0.00 0.00 178.44 179.65 1ugj s ALA 84 N -2.76 -0.26 0.00 1.25 0.00 -1.16 -5.04 121.76 113.79 1ugj s ALA 84 Ca -0.01 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1ugj s ALA 84 Cb 0.00 0.95 0.00 0.00 0.00 0.00 0.00 23.12 24.07 1ugj s ALA 84 CO 0.04 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.31 1ugj n GLY 85 N -0.48 0.88 3.23 0.00 0.00 -1.26 -2.65 105.19 104.91 1ugj n GLY 85 Ca -0.03 -1.30 0.04 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.18 0.00 1.61 5.04 -1.26 -5.07 117.35 116.49 1ugj s TYR 86 Ca 0.00 1.40 0.00 0.00 -2.44 0.00 0.00 57.07 56.03 1ugj s TYR 86 Cb 0.00 0.47 0.00 0.00 0.35 0.00 0.00 41.96 42.78 1ugj s TYR 86 CO 0.00 -0.63 0.00 0.41 -1.34 0.00 0.00 175.55 173.99 1ugj n GLY 87 N 5.40 1.10 3.70 8.97 0.00 -1.26 -4.81 105.19 118.29 1ugj n GLY 87 Ca -0.05 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 1.56 4.38 0.24 1.61 0.04 -1.26 -4.91 135.00 136.66 1ugj s PRO 88 Ca 0.00 1.71 -0.04 0.00 0.04 0.00 0.00 61.00 62.71 1ugj s PRO 88 Cb 0.00 -3.49 0.45 0.00 0.04 0.00 0.00 34.50 31.50 1ugj s PRO 88 CO 0.00 -0.38 1.28 -2.13 0.04 0.00 0.00 177.00 175.82 1ugj n ARG 89 N 4.75 -0.07 -4.32 4.56 0.63 -1.26 -4.37 116.66 116.57 1ugj n ARG 89 Ca 0.10 1.27 -0.17 0.00 -0.92 0.00 0.00 57.85 58.13 1ugj n ARG 89 Cb 0.46 -1.93 -0.10 0.00 0.45 0.00 0.00 32.46 31.34 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 -5.96 1.01 -0.02 5.15 2.01 -1.26 0.12 115.64 116.69 1ugj s THR 90 Ca -0.12 -2.03 0.00 0.00 0.31 0.00 0.00 61.69 59.85 1ugj s THR 90 Cb 0.23 -2.30 0.02 0.00 0.01 0.00 0.00 72.50 70.46 1ugj s THR 90 CO 0.64 -0.36 0.00 -0.69 -0.69 0.00 0.00 174.62 173.52 1ugj s VAL 91 N -3.44 0.11 0.30 3.82 1.01 0.46 -4.93 120.40 117.74 1ugj s VAL 91 Ca 0.27 0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.40 1ugj s VAL 91 Cb 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 1ugj s VAL 91 CO 0.08 0.11 0.42 0.42 0.00 0.00 0.00 175.10 176.13 1ugj s THR 92 N 0.84 4.42 -1.20 3.92 -4.23 -1.26 0.12 115.64 118.25 1ugj s THR 92 Ca -0.08 -1.02 0.22 0.00 -1.18 0.00 0.00 61.69 59.63 1ugj s THR 92 Cb -0.11 -3.54 0.28 0.00 1.34 0.00 0.00 72.50 70.47 1ugj s THR 92 CO -0.02 -0.22 1.72 -0.81 -0.54 0.00 0.00 174.62 174.75 1ugj n PRO 93 N -1.55 0.15 0.05 3.99 -0.04 -1.26 -2.40 135.00 133.95 1ugj n PRO 93 Ca -0.03 0.10 -0.04 0.00 -0.04 0.00 0.00 63.50 63.49 1ugj n PRO 93 Cb 0.58 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.45 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 2.90 0.59 0.00 0.55 0.00 -1.94 -3.28 119.26 118.08 1ugj h ALA 94 Ca 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 54.91 53.94 1ugj h ALA 94 Cb 0.30 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ugj h ALA 94 CO 0.00 1.13 -0.81 0.52 0.00 0.00 0.00 179.25 180.09 1ugj h MET 95 N 0.00 0.00 -6.25 0.00 2.86 -1.88 -3.45 114.93 106.21 1ugj h MET 95 Ca -0.11 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.97 1ugj h MET 95 Cb 1.71 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.36 1ugj h MET 95 CO 0.08 0.09 1.22 0.08 1.06 0.00 0.00 176.91 179.45 1ugj s VAL 96 N -3.23 3.33 -0.10 -2.22 1.01 -1.08 0.13 120.40 118.24 1ugj s VAL 96 Ca 0.01 0.38 -0.20 0.00 0.00 0.00 0.00 61.98 62.17 1ugj s VAL 96 Cb 0.08 -3.30 -0.17 0.00 0.00 0.00 0.00 36.38 32.99 1ugj s VAL 96 CO 0.76 -0.10 0.67 -0.08 0.00 0.00 0.00 175.10 176.35 1ugj h GLU 97 N 11.27 -0.07 -4.21 2.72 4.81 -0.55 -3.45 114.58 125.10 1ugj h GLU 97 Ca -0.41 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.68 1ugj h GLU 97 Cb 1.20 0.01 -0.15 0.00 0.63 0.00 0.00 28.75 30.45 1ugj h GLU 97 CO 0.96 0.52 -0.59 0.20 -0.73 0.00 0.00 179.01 179.37 1ugj s GLY 98 N -3.72 0.61 0.11 1.92 0.00 -1.07 -4.99 107.32 100.18 1ugj s GLY 98 Ca -0.13 -1.19 0.06 0.00 0.00 0.00 0.00 44.72 43.46 1ugj s GLY 98 CO 0.48 -1.21 -0.14 -0.26 0.00 0.00 0.00 173.10 171.96 1ugj s ILE 99 N -3.96 1.31 0.13 0.90 -4.36 -1.26 -1.68 121.20 112.27 1ugj s ILE 99 Ca 0.14 -1.64 -0.07 0.00 -0.26 0.00 0.00 60.65 58.82 1ugj s ILE 99 Cb 0.07 -1.46 -0.01 0.00 1.25 0.00 0.00 42.46 42.31 1ugj s ILE 99 CO -0.05 -0.37 0.19 -0.31 0.24 0.00 0.00 174.94 174.64 1ugj s TYR 100 N -1.95 0.42 0.32 1.37 1.51 0.39 -1.38 117.35 118.03 1ugj s TYR 100 Ca 0.07 -0.82 0.01 0.00 -1.01 0.00 0.00 57.07 55.31 1ugj s TYR 100 Cb -0.06 -0.16 -0.00 0.00 -0.11 0.00 0.00 41.96 41.62 1ugj s TYR 100 CO 0.03 -0.60 0.02 0.36 -1.11 0.00 0.00 175.55 174.25 1ugj n LYS 101 N -0.12 1.09 -3.90 -0.62 0.00 0.34 0.13 118.16 115.08 1ugj n LYS 101 Ca -0.10 -2.41 -0.29 0.00 -0.00 0.00 0.00 58.31 55.52 1ugj n LYS 101 Cb 0.63 0.77 -0.16 0.00 -0.00 0.00 0.00 35.03 36.27 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 -2.28 1.83 -0.52 5.58 6.14 -1.26 -1.96 117.35 124.87 1ugj s TYR 102 Ca 0.03 -1.21 -0.26 0.00 0.64 0.00 0.00 57.07 56.26 1ugj s TYR 102 Cb 0.00 -1.37 -0.05 0.00 0.42 0.00 0.00 41.96 40.97 1ugj s TYR 102 CO 0.02 -0.65 2.15 -0.80 0.64 0.00 0.00 175.55 176.91 1ugj s ASN 103 N 1.59 4.87 0.00 4.32 0.02 0.47 -4.76 114.94 121.45 1ugj s ASN 103 Ca -0.00 0.81 0.16 0.00 -1.02 0.00 0.00 52.86 52.81 1ugj s ASN 103 Cb -0.16 -2.51 0.84 0.00 0.02 0.00 0.00 41.25 39.44 1ugj s ASN 103 CO -0.08 -2.60 1.56 -1.20 0.02 0.00 0.00 177.10 174.80 1ugj n SER 104 N 14.26 0.35 -0.04 -1.22 7.64 -1.26 0.14 113.62 133.48 1ugj n SER 104 Ca 0.29 -1.58 -0.06 0.00 1.01 0.00 0.00 58.87 58.53 1ugj n SER 104 Cb 0.53 -0.03 -0.05 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 -0.51 3.25 -0.00 6.43 9.92 -1.26 -4.64 116.55 129.73 1ugj n ASP 105 Ca 0.12 -0.04 0.08 0.00 -0.53 0.00 0.00 54.79 54.42 1ugj n ASP 105 Cb 0.11 0.09 -0.09 0.00 -0.64 0.00 0.00 41.12 40.59 1ugj n ASP 105 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ugj n ARG 106 N -2.63 1.68 -3.35 -1.24 1.74 -1.21 -4.99 116.66 106.66 1ugj n ARG 106 Ca -0.15 -0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.74 1ugj n ARG 106 Cb 0.70 -1.26 0.07 0.00 -1.02 0.00 0.00 32.46 30.94 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 -1.39 -6.34 -3.34 5.56 5.02 0.38 -5.01 118.16 113.03 1ugj n LYS 107 Ca 0.03 0.69 -0.14 0.00 -2.02 0.00 0.00 58.31 56.87 1ugj n LYS 107 Cb 0.25 -5.29 -0.04 0.00 -0.02 0.00 0.00 35.03 29.93 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 -4.08 0.73 -4.56 1.97 5.12 -0.96 -4.92 116.66 109.97 1ugj n ARG 108 Ca -0.05 -1.93 -0.31 0.00 -1.93 0.00 0.00 57.85 53.63 1ugj n ARG 108 Cb 0.57 1.06 -0.12 0.00 -1.16 0.00 0.00 32.46 32.81 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 -2.41 2.70 0.10 -1.55 0.40 -1.26 0.18 117.98 116.14 1ugj s PHE 109 Ca 0.12 -0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.28 1ugj s PHE 109 Cb 0.01 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.97 1ugj s PHE 109 CO 0.08 0.31 -0.01 0.99 0.70 0.00 0.00 175.22 177.29 1ugj s THR 110 N -0.97 0.37 0.28 0.64 2.01 -0.83 -4.87 115.64 112.28 1ugj s THR 110 Ca 0.16 -1.89 0.05 0.00 0.31 0.00 0.00 61.69 60.32 1ugj s THR 110 Cb -0.11 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.60 1ugj s THR 110 CO 0.07 -0.76 0.41 -1.58 -0.69 0.00 0.00 174.62 172.07 1ugj s GLN 111 N -3.93 3.33 -0.08 4.92 -0.44 -1.26 0.13 119.66 122.32 1ugj s GLN 111 Ca 0.15 -0.81 -0.04 0.00 -2.50 0.00 0.00 55.36 52.16 1ugj s GLN 111 Cb 0.07 -2.85 -0.04 0.00 -1.64 0.00 0.00 33.01 28.55 1ugj s GLN 111 CO -0.04 0.28 0.08 0.42 0.50 0.00 0.00 175.29 176.53 1ugj s ILE 112 N -2.07 4.91 -1.35 -2.34 -1.09 -0.48 -4.70 121.20 114.08 1ugj s ILE 112 Ca 0.38 -0.09 0.23 0.00 -2.23 0.00 0.00 60.65 58.94 1ugj s ILE 112 Cb -0.09 -3.14 0.35 0.00 -1.58 0.00 0.00 42.46 38.01 1ugj s ILE 112 CO 0.30 0.56 1.73 -0.81 -1.23 0.00 0.00 174.94 175.49 1ugj n PRO 113 N 1.87 0.26 -4.33 2.79 -0.04 -1.26 -4.75 135.00 129.53 1ugj n PRO 113 Ca -0.18 0.08 -0.24 0.00 -0.04 0.00 0.00 63.50 63.12 1ugj n PRO 113 Cb 0.54 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.65 3.14 -1.56 0.55 0.00 -1.26 -5.03 121.76 114.95 1ugj s ALA 114 Ca 0.19 -1.85 0.15 0.00 0.00 0.00 0.00 51.96 50.45 1ugj s ALA 114 Cb 0.15 -0.49 0.25 0.00 0.00 0.00 0.00 23.12 23.03 1ugj s ALA 114 CO 0.36 0.16 1.14 1.63 0.00 0.00 0.00 175.76 179.05 1ugj n LYS 115 N -0.90 1.90 -3.92 0.00 4.01 -1.26 -4.54 118.16 113.45 1ugj n LYS 115 Ca -0.05 -1.79 -0.21 0.00 -0.51 0.00 0.00 58.31 55.76 1ugj n LYS 115 Cb 0.61 -1.32 -0.02 0.00 -0.51 0.00 0.00 35.03 33.79 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 -1.12 4.79 0.65 -0.18 2.01 -1.26 -4.90 115.64 115.63 1ugj s THR 116 Ca 0.24 -1.11 -0.16 0.00 0.31 0.00 0.00 61.69 60.97 1ugj s THR 116 Cb 0.14 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 69.00 1ugj s THR 116 CO 0.20 -0.30 1.12 -0.04 -0.69 0.00 0.00 174.62 174.90 1ugj s MET 117 N -3.98 2.84 -0.18 4.92 -1.94 -1.26 -5.00 119.30 114.71 1ugj s MET 117 Ca 0.36 1.44 -0.30 0.00 -1.71 0.00 0.00 55.69 55.47 1ugj s MET 117 Cb -0.09 -1.95 0.14 0.00 2.01 0.00 0.00 34.83 34.94 1ugj s MET 117 CO 0.28 -1.22 1.08 -1.12 -0.01 0.00 0.00 175.02 174.03 1ugj s SER 118 N -2.45 -0.29 0.32 3.03 0.01 -1.26 -5.00 113.70 108.07 1ugj s SER 118 Ca 0.68 0.27 0.20 0.00 1.31 0.00 0.00 55.95 58.42 1ugj s SER 118 Cb -0.21 0.24 1.10 0.00 0.21 0.00 0.00 66.02 67.36 1ugj s SER 118 CO 0.40 -0.29 1.60 0.23 0.41 0.00 0.00 173.24 175.59 1ugj n MET 119 N 0.56 0.13 -0.58 12.44 2.81 -1.26 -0.76 117.12 130.46 1ugj n MET 119 Ca -0.07 0.63 -0.08 0.00 -1.81 0.00 0.00 57.70 56.37 1ugj n MET 119 Cb 0.58 -1.98 0.13 0.00 -0.71 0.00 0.00 33.22 31.24 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 -2.22 3.40 -4.40 7.83 7.64 -1.26 -4.85 113.62 119.75 1ugj n SER 120 Ca -0.01 -2.72 -0.27 0.00 1.01 0.00 0.00 58.87 56.87 1ugj n SER 120 Cb 0.08 -0.65 -0.12 0.00 -1.01 0.00 0.00 64.21 62.50 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 -1.75 2.26 0.00 0.44 1.01 0.06 -4.35 120.40 118.07 1ugj s VAL 121 Ca 0.29 -1.91 0.03 0.00 0.00 0.00 0.00 61.98 60.39 1ugj s VAL 121 Cb 0.24 -2.04 0.04 0.00 0.00 0.00 0.00 36.38 34.62 1ugj s VAL 121 CO 0.06 -0.05 0.87 0.47 0.00 0.00 0.00 175.10 176.45 1ugj n ASP 122 N 0.54 -0.44 0.00 3.32 9.92 0.35 -4.85 116.55 125.39 1ugj n ASP 122 Ca -0.15 -1.70 0.00 0.00 -0.53 0.00 0.00 54.79 52.41 1ugj n ASP 122 Cb 0.55 0.12 0.00 0.00 -0.64 0.00 0.00 41.12 41.15 1ugj n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ugj n ALA 123 N 0.05 0.00 -3.03 2.24 0.00 -0.53 -4.33 120.51 114.92 1ugj n ALA 123 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 1ugj n ALA 123 Cb 0.69 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.09 1ugj n ALA 123 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1ugj s PHE 124 N -1.14 -0.18 -0.17 0.00 -0.71 -1.15 0.15 117.98 114.77 1ugj s PHE 124 Ca 0.00 -0.14 -0.03 0.00 -1.04 0.00 0.00 56.93 55.72 1ugj s PHE 124 Cb 0.00 0.27 0.06 0.00 -1.21 0.00 0.00 43.02 42.13 1ugj s PHE 124 CO 0.00 -0.72 0.05 0.95 -1.34 0.00 0.00 175.22 174.16 1ugj s THR 125 N -3.81 0.27 1.31 -4.49 -4.23 -0.68 -3.60 115.64 100.41 1ugj s THR 125 Ca 0.04 -0.31 -0.20 0.00 -1.18 0.00 0.00 61.69 60.05 1ugj s THR 125 Cb 0.02 -0.78 0.31 0.00 1.34 0.00 0.00 72.50 73.38 1ugj s THR 125 CO -0.11 -0.17 0.74 2.30 -0.54 0.00 0.00 174.62 176.85 1ugj n ILE 126 N 5.15 0.00 -0.42 2.99 -5.35 -1.26 0.03 119.36 120.50 1ugj n ILE 126 Ca -0.08 -0.14 -0.28 0.00 -0.27 0.00 0.00 62.75 61.98 1ugj n ILE 126 Cb 0.48 -0.87 0.26 0.00 -1.74 0.00 0.00 39.64 37.77 1ugj n ILE 126 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ugj n GLN 127 N -4.64 -4.25 -0.08 6.28 6.02 0.35 -4.09 117.38 116.95 1ugj n GLN 127 Ca 0.09 -1.42 -0.07 0.00 -0.01 0.00 0.00 57.00 55.59 1ugj n GLN 127 Cb 0.54 -1.69 -0.15 0.00 1.02 0.00 0.00 30.24 29.96 1ugj n GLN 127 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ugj n GLY 128 N -5.07 -0.94 0.06 1.08 0.00 -1.26 -4.18 105.19 94.88 1ugj n GLY 128 Ca 0.13 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.89 1ugj n GLY 128 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1ugj n HIS 129 N -2.65 0.33 0.22 1.61 1.44 -1.26 -2.78 115.22 112.14 1ugj n HIS 129 Ca -0.28 0.14 -0.09 0.00 -2.01 0.00 0.00 57.72 55.48 1ugj n HIS 129 Cb 1.05 -0.73 -0.04 0.00 0.12 0.00 0.00 29.99 30.39 1ugj n HIS 129 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1ugj h LEU 130 N 0.00 -0.51 0.25 2.39 4.07 -1.96 -3.34 115.31 116.22 1ugj h LEU 130 Ca 0.00 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 1ugj h LEU 130 Cb 0.21 0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 1ugj h LEU 130 CO 0.00 -0.20 -0.36 -0.50 -1.08 0.00 0.00 178.44 176.30 1ugj h TRP 131 N -0.92 -1.01 -3.07 1.13 4.06 -1.77 -3.42 115.95 110.95 1ugj h TRP 131 Ca -0.06 0.01 -0.51 0.00 2.06 0.00 0.00 58.89 60.40 1ugj h TRP 131 Cb 0.46 0.41 0.22 0.00 -1.00 0.00 0.00 29.16 29.25 1ugj h TRP 131 CO 0.03 -0.45 -0.73 1.04 -3.56 0.00 0.00 178.44 174.78 1ugj n GLN 132 N -4.52 -0.71 -4.06 0.49 1.13 -1.12 -4.98 117.38 103.61 1ugj n GLN 132 Ca -0.07 -0.17 -0.35 0.00 -1.94 0.00 0.00 57.00 54.47 1ugj n GLN 132 Cb 0.31 -1.81 -0.07 0.00 0.11 0.00 0.00 30.24 28.78 1ugj n GLN 132 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1ugj s SER 133 N -1.96 5.90 0.13 1.08 0.01 -1.26 -4.86 113.70 112.73 1ugj s SER 133 Ca 0.57 0.27 0.00 0.00 1.31 0.00 0.00 55.95 58.10 1ugj s SER 133 Cb -0.18 -1.78 0.00 0.00 0.21 0.00 0.00 66.02 64.26 1ugj s SER 133 CO 0.67 0.33 0.00 1.17 0.41 0.00 0.00 173.24 175.82 1ugj n LYS 134 N 1.56 0.00 -3.76 12.44 4.81 -1.26 -5.12 118.16 126.83 1ugj n LYS 134 Ca -0.16 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.29 1ugj n LYS 134 Cb 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 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 -1.53 0.63 -0.21 1.64 2.20 -1.26 -5.18 119.74 116.03 1ugj s LYS 135 Ca 0.00 -0.37 -0.27 0.00 -0.36 0.00 0.00 55.97 54.96 1ugj s LYS 135 Cb 0.00 0.20 0.10 0.00 -1.51 0.00 0.00 37.83 36.62 1ugj s LYS 135 CO 0.00 -0.29 0.89 -1.12 -0.36 0.00 0.00 175.35 174.47 1ugj s SER 136 N -3.23 -0.53 0.00 1.43 0.01 -1.26 -5.03 113.70 105.09 1ugj s SER 136 Ca 0.19 0.85 0.00 0.00 1.31 0.00 0.00 55.95 58.29 1ugj s SER 136 Cb 0.02 0.80 0.00 0.00 0.21 0.00 0.00 66.02 67.04 1ugj s SER 136 CO -0.01 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.95 1ugj n GLY 137 N 1.70 1.42 3.76 3.44 0.00 -1.26 -5.18 105.19 109.07 1ugj n GLY 137 Ca -0.13 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 1ugj n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugj s PRO 138 N -2.00 -0.56 -0.30 1.61 0.04 -1.26 -5.10 135.00 127.44 1ugj s PRO 138 Ca 0.00 -0.35 -0.13 0.00 0.04 0.00 0.00 61.00 60.56 1ugj s PRO 138 Cb 0.00 -1.70 0.14 0.00 0.04 0.00 0.00 34.50 32.98 1ugj s PRO 138 CO 0.00 -3.22 0.82 -1.54 0.04 0.00 0.00 177.00 173.09 1ugj s SER 139 N -4.48 -0.84 0.16 6.66 1.04 -1.26 -5.04 113.70 109.94 1ugj s SER 139 Ca 0.74 1.20 0.00 0.00 0.48 0.00 0.00 55.95 58.37 1ugj s SER 139 Cb -0.05 1.80 0.00 0.00 0.10 0.00 0.00 66.02 67.87 1ugj s SER 139 CO 0.55 -0.17 0.00 -1.20 0.98 0.00 0.00 173.24 173.39 1ugj n SER 140 N 4.87 -1.42 0.00 7.02 7.64 -1.26 -5.28 113.62 125.20 1ugj n SER 140 Ca -0.13 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1ugj n SER 140 Cb 0.53 1.65 0.00 0.00 -1.01 0.00 0.00 64.21 65.37 1ugj n SER 140 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64