#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 -1.71 0.05 1.61 2.88 -1.26 -4.85 113.62 110.34 1ugj n SER 2 Ca 0.00 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 1ugj n SER 2 Cb 0.00 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 1ugj n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ugj n SER 3 N 1.73 0.92 0.00 -3.46 7.64 -1.26 -5.07 113.62 114.12 1ugj n SER 3 Ca 0.12 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1ugj n SER 3 Cb 0.39 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 1ugj n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugj n GLY 4 N 3.28 3.16 3.41 0.23 0.00 -1.26 -4.89 105.19 109.11 1ugj n GLY 4 Ca 0.00 0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 1ugj n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ugj n SER 5 N 7.82 -5.88 -1.08 1.61 2.88 -1.26 -4.64 113.62 113.08 1ugj n SER 5 Ca 0.00 -0.05 0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1ugj n SER 5 Cb 0.00 -2.21 -0.01 0.00 -0.75 0.00 0.00 64.21 61.24 1ugj n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ugj n SER 6 N -0.18 -5.83 0.00 -3.46 7.64 -1.26 -5.08 113.62 105.44 1ugj n SER 6 Ca -0.06 1.26 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1ugj n SER 6 Cb 0.65 -3.29 0.00 0.00 -1.01 0.00 0.00 64.21 60.56 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 -2.54 2.14 3.76 0.23 0.00 -1.26 -5.08 105.19 102.44 1ugj n GLY 7 Ca -0.01 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 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 -4.83 -0.59 0.63 1.61 0.04 -1.26 -4.92 135.00 125.68 1ugj s PRO 8 Ca 0.00 -0.36 0.00 0.00 0.04 0.00 0.00 61.00 60.68 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 -3.24 0.00 0.54 0.04 0.00 0.00 177.00 174.34 1ugj n ARG 9 N -4.36 -3.85 -3.75 4.56 1.74 -1.26 -5.01 116.66 104.72 1ugj n ARG 9 Ca 0.16 3.07 -0.12 0.00 -0.77 0.00 0.00 57.85 60.18 1ugj n ARG 9 Cb 0.59 -4.08 -0.11 0.00 -1.02 0.00 0.00 32.46 27.85 1ugj n ARG 9 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ugj s LEU 10 N -6.40 0.64 0.26 0.55 1.02 -1.26 -4.97 118.68 108.52 1ugj s LEU 10 Ca 0.00 0.63 -0.21 0.00 0.02 0.00 0.00 54.13 54.56 1ugj s LEU 10 Cb 0.00 1.01 0.03 0.00 0.02 0.00 0.00 46.19 47.25 1ugj s LEU 10 CO 0.00 -0.13 0.70 -0.47 0.02 0.00 0.00 176.35 176.47 1ugj s TYR 11 N 0.55 -0.23 -0.16 0.29 5.04 -1.26 -5.18 117.35 116.39 1ugj s TYR 11 Ca -0.03 -0.19 -0.21 0.00 -2.44 0.00 0.00 57.07 54.20 1ugj s TYR 11 Cb -0.05 0.68 0.05 0.00 0.35 0.00 0.00 41.96 43.00 1ugj s TYR 11 CO -0.03 -1.18 0.56 0.21 -1.34 0.00 0.00 175.55 173.77 1ugj s LYS 12 N -3.90 0.73 0.69 4.97 2.20 -1.26 -4.59 119.74 118.58 1ugj s LYS 12 Ca 0.10 0.59 -0.17 0.00 -0.36 0.00 0.00 55.97 56.13 1ugj s LYS 12 Cb -0.05 0.35 -0.10 0.00 -1.51 0.00 0.00 37.83 36.52 1ugj s LYS 12 CO 0.04 -0.13 0.04 0.39 -0.36 0.00 0.00 175.35 175.33 1ugj n GLU 13 N 2.29 0.14 -1.16 4.03 1.02 -1.26 -4.95 120.64 120.76 1ugj n GLU 13 Ca -0.15 0.07 -0.23 0.00 -0.02 0.00 0.00 57.16 56.82 1ugj n GLU 13 Cb 0.56 -1.37 0.18 0.00 -0.02 0.00 0.00 31.44 30.80 1ugj n GLU 13 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1ugj n PRO 14 N 0.72 -1.85 -3.41 3.49 -0.04 -1.26 -4.85 135.00 127.80 1ugj n PRO 14 Ca 0.07 -1.50 0.01 0.00 -0.04 0.00 0.00 63.50 62.05 1ugj n PRO 14 Cb 0.50 -1.18 -0.04 0.00 -0.04 0.00 0.00 33.50 32.74 1ugj n PRO 14 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ugj s SER 15 N -4.33 -0.57 0.43 3.54 0.15 -1.26 -5.05 113.70 106.61 1ugj s SER 15 Ca 0.58 0.78 0.00 0.00 0.70 0.00 0.00 55.95 58.01 1ugj s SER 15 Cb -0.03 1.64 0.00 0.00 -1.71 0.00 0.00 66.02 65.91 1ugj s SER 15 CO 0.42 -0.11 0.00 0.00 1.20 0.00 0.00 173.24 174.75 1ugj n ALA 16 N 4.93 -3.27 -3.68 5.45 0.00 -1.26 -4.80 120.51 117.88 1ugj n ALA 16 Ca -0.09 0.63 -0.10 0.00 0.00 0.00 0.00 53.44 53.87 1ugj n ALA 16 Cb 0.53 -1.26 -0.11 0.00 0.00 0.00 0.00 19.45 18.61 1ugj n ALA 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ugj s LYS 17 N -3.18 0.32 0.59 0.00 2.47 -1.26 -5.02 119.74 113.66 1ugj s LYS 17 Ca 0.00 0.88 0.00 0.00 -1.56 0.00 0.00 55.97 55.29 1ugj s LYS 17 Cb 0.00 0.13 0.00 0.00 -1.46 0.00 0.00 37.83 36.50 1ugj s LYS 17 CO 0.00 -0.21 0.00 0.45 0.16 0.00 0.00 175.35 175.75 1ugj n SER 18 N 4.89 -8.53 -2.73 1.43 2.88 -1.26 -4.93 113.62 105.38 1ugj n SER 18 Ca -0.15 1.81 -0.05 0.00 -1.33 0.00 0.00 58.87 59.16 1ugj n SER 18 Cb 0.52 -5.08 0.07 0.00 -0.75 0.00 0.00 64.21 58.96 1ugj n SER 18 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1ugj n ASN 19 N -2.41 0.50 0.02 -3.46 6.94 -1.12 -4.93 115.26 110.79 1ugj n ASN 19 Ca 0.00 -2.38 -0.12 0.00 -0.02 0.00 0.00 54.58 52.06 1ugj n ASN 19 Cb 0.43 -0.08 -0.09 0.00 -2.36 0.00 0.00 39.78 37.68 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 2.42 -0.12 0.00 -3.83 3.64 -1.90 -2.79 116.57 114.00 1ugj h LYS 20 Ca -0.19 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1ugj h LYS 20 Cb 1.25 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1ugj h LYS 20 CO 0.20 0.38 -0.01 0.74 -2.27 0.00 0.00 179.45 178.50 1ugj h PHE 21 N -0.71 0.00 0.00 1.91 -1.00 -1.92 0.21 116.94 115.43 1ugj h PHE 21 Ca -0.01 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.67 1ugj h PHE 21 Cb 0.55 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.10 1ugj h PHE 21 CO 0.10 0.01 -0.46 0.82 -1.61 0.00 0.00 178.31 177.17 1ugj h ILE 22 N 0.00 0.91 0.10 -0.55 2.04 -1.91 -3.24 117.51 114.86 1ugj h ILE 22 Ca -0.00 -1.91 -0.22 0.00 1.00 0.00 0.00 64.86 63.73 1ugj h ILE 22 Cb 0.04 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1ugj h ILE 22 CO 0.00 0.45 -1.10 0.40 0.00 0.00 0.00 178.15 177.90 1ugj h ILE 23 N 0.00 1.22 -1.00 -0.67 1.08 -0.40 -2.75 117.51 115.00 1ugj h ILE 23 Ca -0.00 -2.41 0.35 0.00 -0.39 0.00 0.00 64.86 62.40 1ugj h ILE 23 Cb 1.15 2.86 -0.18 0.00 -3.07 0.00 0.00 36.82 37.58 1ugj h ILE 23 CO 0.06 0.66 0.29 1.57 -0.69 0.00 0.00 178.15 180.03 1ugj n HIS 24 N -4.10 0.91 -0.00 1.37 -0.00 -0.20 0.79 115.22 113.99 1ugj n HIS 24 Ca -0.21 1.19 -0.17 0.00 0.46 0.00 0.00 57.72 58.98 1ugj n HIS 24 Cb 0.82 -1.42 -0.13 0.00 -0.12 0.00 0.00 29.99 29.14 1ugj n HIS 24 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 1ugj h ASN 25 N 0.00 0.30 -1.70 0.26 2.35 -1.67 -3.21 115.58 111.91 1ugj h ASN 25 Ca 0.73 -0.92 0.49 0.00 -0.55 0.00 0.00 56.30 56.05 1ugj h ASN 25 Cb 1.76 -0.10 -0.07 0.00 0.05 0.00 0.00 38.32 39.96 1ugj h ASN 25 CO -0.85 1.20 1.25 0.00 -1.65 0.00 0.00 177.43 177.38 1ugj h ALA 26 N 0.10 3.61 0.08 -0.83 0.00 0.70 1.75 119.26 124.67 1ugj h ALA 26 Ca -0.08 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ugj h ALA 26 Cb 1.33 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1ugj h ALA 26 CO 0.09 -2.13 -0.04 -0.07 0.00 0.00 0.00 179.25 177.10 1ugj h LEU 27 N 0.00 -0.09 0.00 0.00 3.38 -0.88 -1.87 115.31 115.86 1ugj h LEU 27 Ca 0.81 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1ugj h LEU 27 Cb 3.31 0.02 0.00 0.00 0.09 0.00 0.00 40.66 44.08 1ugj h LEU 27 CO -0.01 0.56 0.00 -1.20 0.09 0.00 0.00 178.44 177.88 1ugj n SER 28 N -4.82 0.00 -0.06 -0.43 7.64 0.38 0.33 113.62 116.66 1ugj n SER 28 Ca -0.08 -0.51 -0.16 0.00 1.01 0.00 0.00 58.87 59.13 1ugj n SER 28 Cb 0.30 -0.10 -0.13 0.00 -1.01 0.00 0.00 64.21 63.27 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 0.09 0.00 1.43 3.86 0.21 -3.44 115.15 117.31 1ugj h HIS 29 Ca 0.00 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1ugj h HIS 29 Cb 0.07 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1ugj h HIS 29 CO 0.00 1.15 0.00 0.00 0.86 0.00 0.00 177.93 179.94 1ugj n LEU 32 N -5.46 1.40 -4.69 0.00 4.77 0.24 -2.63 117.00 110.63 1ugj n LEU 32 Ca 0.24 -2.51 -0.38 0.00 -0.03 0.00 0.00 56.01 53.33 1ugj n LEU 32 Cb 0.80 0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.93 1ugj n LEU 32 CO -0.05 0.77 0.11 0.00 -1.33 0.00 0.00 177.39 176.88 1ugj s ALA 33 N -1.49 3.54 0.00 -1.18 0.00 0.15 -4.56 121.76 118.23 1ugj s ALA 33 Ca 0.33 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1ugj s ALA 33 Cb 0.37 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1ugj s ALA 33 CO -0.12 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1ugj n GLY 34 N 3.68 4.69 0.30 0.00 0.00 -1.26 -4.78 105.19 107.81 1ugj n GLY 34 Ca -0.08 -0.74 -0.01 0.00 0.00 0.00 0.00 46.02 45.19 1ugj n GLY 34 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ugj h LYS 35 N 0.00 -0.05 -0.99 1.61 -0.00 -1.98 1.53 116.57 116.68 1ugj h LYS 35 Ca 0.00 0.00 0.26 0.00 -0.00 0.00 0.00 60.65 60.91 1ugj h LYS 35 Cb 0.00 0.01 -0.07 0.00 -0.00 0.00 0.00 32.23 32.18 1ugj h LYS 35 CO 0.00 -0.04 0.67 -0.39 -0.00 0.00 0.00 179.45 179.69 1ugj h VAL 36 N -0.05 0.56 -0.91 0.07 -1.51 -1.98 1.72 116.25 114.15 1ugj h VAL 36 Ca 0.31 -0.09 -0.41 0.00 -1.23 0.00 0.00 66.70 65.28 1ugj h VAL 36 Cb 0.53 0.29 -0.24 0.00 -2.13 0.00 0.00 31.29 29.73 1ugj h VAL 36 CO -0.72 0.05 0.52 0.59 -1.23 0.00 0.00 177.57 176.77 1ugj n ASN 37 N -4.45 4.16 0.12 4.19 3.02 0.51 -4.32 115.26 118.49 1ugj n ASN 37 Ca 0.22 -3.46 -0.24 0.00 -0.03 0.00 0.00 54.58 51.07 1ugj n ASN 37 Cb 0.90 -0.81 -0.16 0.00 -0.61 0.00 0.00 39.78 39.10 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 1.61 0.48 -0.02 3.52 4.81 0.40 -2.05 114.58 123.34 1ugj h GLU 38 Ca 0.50 -0.83 -0.07 0.00 -0.13 0.00 0.00 59.36 58.84 1ugj h GLU 38 Cb 2.69 0.31 0.00 0.00 0.63 0.00 0.00 28.75 32.38 1ugj h GLU 38 CO 0.98 1.40 -0.27 -1.00 -0.73 0.00 0.00 179.01 179.38 1ugj h PRO 39 N 0.02 0.21 0.44 0.92 0.13 -1.75 -3.15 132.00 128.82 1ugj h PRO 39 Ca -0.24 -0.21 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1ugj h PRO 39 Cb 2.05 0.05 0.00 0.00 0.13 0.00 0.00 31.00 33.24 1ugj h PRO 39 CO 0.24 0.91 -0.21 0.37 -0.23 0.00 0.00 178.00 179.08 1ugj h GLN 40 N -0.40 -0.57 -0.94 0.86 4.15 -1.81 -2.50 115.11 113.90 1ugj h GLN 40 Ca -0.03 0.04 0.12 0.00 0.77 0.00 0.00 58.65 59.55 1ugj h GLN 40 Cb 0.99 0.13 -0.13 0.00 0.21 0.00 0.00 27.48 28.68 1ugj h GLN 40 CO 0.05 -0.30 -0.45 1.17 -1.93 0.00 0.00 178.83 177.37 1ugj n LYS 41 N -5.28 -0.31 -0.18 1.69 4.81 -0.77 0.17 118.16 118.29 1ugj n LYS 41 Ca -0.11 1.43 -0.00 0.00 -0.87 0.00 0.00 58.31 58.76 1ugj n LYS 41 Cb 0.28 -2.12 0.09 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 -0.12 -0.47 3.14 2.35 -1.49 0.56 115.58 119.55 1ugj h ASN 42 Ca 0.25 0.12 0.11 0.00 -0.55 0.00 0.00 56.30 56.23 1ugj h ASN 42 Cb 0.48 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.02 1ugj h ASN 42 CO -0.91 -0.04 0.33 0.03 -1.65 0.00 0.00 177.43 175.19 1ugj h ARG 43 N 0.18 0.14 0.15 0.81 3.08 0.21 -0.80 114.38 118.15 1ugj h ARG 43 Ca 0.29 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 1ugj h ARG 43 Cb 0.44 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1ugj h ARG 43 CO -0.43 0.09 -0.07 0.82 -1.07 0.00 0.00 179.97 179.31 1ugj h ILE 44 N 0.15 0.84 -0.68 2.04 1.08 0.31 -2.18 117.51 119.07 1ugj h ILE 44 Ca 0.22 -1.18 0.13 0.00 -0.39 0.00 0.00 64.86 63.65 1ugj h ILE 44 Cb 0.69 1.43 -0.13 0.00 -3.07 0.00 0.00 36.82 35.73 1ugj h ILE 44 CO -0.03 0.22 -0.22 -0.07 -0.69 0.00 0.00 178.15 177.37 1ugj h LEU 45 N -0.88 -0.78 0.40 1.44 -0.00 -0.05 0.80 115.31 116.23 1ugj h LEU 45 Ca -0.02 0.22 -0.02 0.00 -0.00 0.00 0.00 57.88 58.06 1ugj h LEU 45 Cb 0.52 0.47 -0.01 0.00 -0.00 0.00 0.00 40.66 41.65 1ugj h LEU 45 CO 0.03 -0.25 -0.30 -0.33 -0.00 0.00 0.00 178.44 177.59 1ugj h GLU 46 N -0.04 -0.64 -0.95 1.13 5.08 -1.24 0.18 114.58 118.09 1ugj h GLU 46 Ca 0.31 0.04 0.21 0.00 -1.00 0.00 0.00 59.36 58.92 1ugj h GLU 46 Cb 0.52 0.15 -0.18 0.00 0.50 0.00 0.00 28.75 29.74 1ugj h GLU 46 CO -0.71 -0.43 -0.18 0.39 -1.00 0.00 0.00 179.01 177.08 1ugj n GLU 47 N -4.19 -0.08 -0.07 2.33 -0.58 -0.70 0.20 120.64 117.54 1ugj n GLU 47 Ca -0.08 1.47 -0.10 0.00 -0.42 0.00 0.00 57.16 58.03 1ugj n GLU 47 Cb 0.29 -2.23 -0.03 0.00 -0.57 0.00 0.00 31.44 28.90 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 1.11 -0.34 -3.67 2.04 -0.53 1.26 117.51 117.38 1ugj h ILE 48 Ca 0.48 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 66.02 1ugj h ILE 48 Cb 0.80 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1ugj h ILE 48 CO -0.96 0.11 0.05 -0.33 0.00 0.00 0.00 178.15 177.02 1ugj h GLU 49 N 0.31 0.50 0.01 2.37 5.08 0.47 -1.80 114.58 121.53 1ugj h GLU 49 Ca 0.09 -0.09 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1ugj h GLU 49 Cb 0.05 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1ugj h GLU 49 CO -0.02 0.49 -0.95 1.57 -1.00 0.00 0.00 179.01 179.10 1ugj h LYS 50 N 0.49 0.06 -6.66 2.33 2.10 0.29 -3.44 116.57 111.73 1ugj h LYS 50 Ca 0.11 -0.08 -0.52 0.00 -2.00 0.00 0.00 60.65 58.16 1ugj h LYS 50 Cb 0.24 0.03 0.02 0.00 -0.90 0.00 0.00 32.23 31.62 1ugj h LYS 50 CO 0.00 0.96 0.59 0.45 -2.00 0.00 0.00 179.45 179.45 1ugj s SER 51 N -6.81 7.03 -0.18 7.07 0.15 0.43 -4.90 113.70 116.48 1ugj s SER 51 Ca -0.00 2.27 0.07 0.00 0.70 0.00 0.00 55.95 58.99 1ugj s SER 51 Cb 0.10 -2.61 0.50 0.00 -1.71 0.00 0.00 66.02 62.30 1ugj s SER 51 CO 0.82 -0.42 1.37 0.29 1.20 0.00 0.00 173.24 176.49 1ugj n LYS 52 N 2.61 3.07 -3.83 5.44 4.76 -1.26 -4.88 118.16 124.07 1ugj n LYS 52 Ca 0.05 -1.98 -0.28 0.00 -2.87 0.00 0.00 58.31 53.23 1ugj n LYS 52 Cb 0.44 -1.93 -0.04 0.00 -1.84 0.00 0.00 35.03 31.67 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 -2.11 3.92 -1.37 7.82 0.00 -1.26 -5.00 121.76 123.76 1ugj s ALA 53 Ca 0.35 -0.86 0.11 0.00 0.00 0.00 0.00 51.96 51.56 1ugj s ALA 53 Cb 0.27 -1.90 0.12 0.00 0.00 0.00 0.00 23.12 21.62 1ugj s ALA 53 CO 0.09 0.60 0.92 0.09 0.00 0.00 0.00 175.76 177.46 1ugj n ASN 54 N -0.28 2.09 -4.24 0.00 5.03 -1.26 -4.93 115.26 111.67 1ugj n ASN 54 Ca -0.05 -1.55 -0.33 0.00 0.87 0.00 0.00 54.58 53.52 1ugj n ASN 54 Cb 0.53 -0.03 -0.16 0.00 -1.02 0.00 0.00 39.78 39.10 1ugj n ASN 54 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 1ugj s HIS 55 N -0.96 2.71 -0.07 3.10 2.46 -1.26 -2.81 115.29 118.46 1ugj s HIS 55 Ca 0.15 -1.07 -0.03 0.00 0.47 0.00 0.00 55.06 54.58 1ugj s HIS 55 Cb 0.10 -1.83 0.04 0.00 -0.13 0.00 0.00 32.58 30.76 1ugj s HIS 55 CO 0.15 -0.46 0.13 -0.06 -2.47 0.00 0.00 174.74 172.02 1ugj s PHE 56 N 0.66 -0.12 0.42 3.88 0.08 -1.26 -3.07 117.98 118.57 1ugj s PHE 56 Ca -0.09 0.48 0.08 0.00 0.12 0.00 0.00 56.93 57.51 1ugj s PHE 56 Cb -0.16 -0.26 -0.02 0.00 -0.57 0.00 0.00 43.02 42.01 1ugj s PHE 56 CO 0.02 -0.22 0.36 -0.51 -0.10 0.00 0.00 175.22 174.77 1ugj s LEU 57 N 1.93 3.33 -0.14 -0.37 1.02 0.00 -4.84 118.68 119.62 1ugj s LEU 57 Ca -0.00 -0.81 0.03 0.00 0.02 0.00 0.00 54.13 53.37 1ugj s LEU 57 Cb -0.12 -1.95 0.01 0.00 0.02 0.00 0.00 46.19 44.15 1ugj s LEU 57 CO -0.05 -0.66 -0.22 -0.63 0.02 0.00 0.00 176.35 174.81 1ugj s ILE 58 N -2.50 2.04 -0.12 -0.59 1.01 -1.24 -2.62 121.20 117.17 1ugj s ILE 58 Ca 0.47 -0.97 -0.22 0.00 0.00 0.00 0.00 60.65 59.93 1ugj s ILE 58 Cb -0.02 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 1ugj s ILE 58 CO 0.27 0.55 0.66 -0.22 0.00 0.00 0.00 174.94 176.20 1ugj s LEU 59 N 0.80 4.25 0.39 2.97 2.96 -0.42 -3.02 118.68 126.62 1ugj s LEU 59 Ca -0.07 1.04 0.08 0.00 -0.22 0.00 0.00 54.13 54.95 1ugj s LEU 59 Cb -0.16 -2.99 -0.07 0.00 0.50 0.00 0.00 46.19 43.47 1ugj s LEU 59 CO -0.02 -0.17 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.48 1ugj s PHE 60 N 1.19 2.50 0.04 5.38 0.40 -1.25 0.21 117.98 126.44 1ugj s PHE 60 Ca 0.34 -0.62 -0.02 0.00 -0.60 0.00 0.00 56.93 56.03 1ugj s PHE 60 Cb -0.17 -1.69 -0.27 0.00 0.51 0.00 0.00 43.02 41.41 1ugj s PHE 60 CO 0.14 0.47 1.00 -0.09 0.70 0.00 0.00 175.22 177.45 1ugj h ARG 61 N 1.82 0.22 0.00 0.44 9.65 -1.95 -3.45 114.38 121.11 1ugj h ARG 61 Ca -0.43 -0.37 0.00 0.00 -1.10 0.00 0.00 59.98 58.08 1ugj h ARG 61 Cb 1.24 0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.96 1ugj h ARG 61 CO 0.78 1.11 -0.03 -3.47 2.80 0.00 0.00 179.97 181.16 1ugj n ASP 62 N -3.45 0.22 0.00 -3.80 2.03 -1.26 -5.04 116.55 105.25 1ugj n ASP 62 Ca -0.12 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1ugj n ASP 62 Cb 1.02 0.17 0.00 0.00 -0.72 0.00 0.00 41.12 41.59 1ugj n ASP 62 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1ugj n SER 63 N -3.44 0.00 -4.36 1.67 3.41 -1.26 -4.80 113.62 104.85 1ugj n SER 63 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 1ugj n SER 63 Cb 0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.88 1ugj n SER 63 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ugj n SER 64 N 0.00 -1.20 0.00 4.04 2.88 -1.26 -4.80 113.62 113.28 1ugj n SER 64 Ca 0.00 -1.19 0.00 0.00 -1.33 0.00 0.00 58.87 56.35 1ugj n SER 64 Cb 0.00 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 61.95 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 -0.64 0.27 0.23 0.00 -2.07 -1.26 -4.95 119.66 111.24 1ugj s GLN 66 Ca 0.00 0.43 -0.32 0.00 -1.82 0.00 0.00 55.36 53.66 1ugj s GLN 66 Cb 0.00 0.05 -0.13 0.00 -1.09 0.00 0.00 33.01 31.84 1ugj s GLN 66 CO 0.00 -0.08 1.49 0.34 -1.32 0.00 0.00 175.29 175.72 1ugj n PHE 67 N 3.44 2.34 -0.05 9.60 -0.00 -1.08 -3.93 117.46 127.79 1ugj n PHE 67 Ca -0.17 0.35 -0.07 0.00 -0.00 0.00 0.00 57.45 57.55 1ugj n PHE 67 Cb 0.56 -2.51 -0.04 0.00 -0.00 0.00 0.00 39.48 37.49 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 2.44 0.24 -3.65 -4.13 5.12 0.55 -4.96 116.66 112.27 1ugj n ARG 68 Ca 0.12 0.06 -0.02 0.00 -1.93 0.00 0.00 57.85 56.08 1ugj n ARG 68 Cb 0.32 -1.18 -0.07 0.00 -1.16 0.00 0.00 32.46 30.37 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 -2.19 -2.29 0.36 7.54 0.00 -1.22 -4.35 121.76 119.60 1ugj s ALA 69 Ca -0.13 1.77 -0.14 0.00 0.00 0.00 0.00 51.96 53.46 1ugj s ALA 69 Cb 0.03 -1.79 -0.08 0.00 0.00 0.00 0.00 23.12 21.28 1ugj s ALA 69 CO 0.22 -0.16 0.76 -1.17 0.00 0.00 0.00 175.76 175.41 1ugj s LEU 70 N 0.27 3.98 0.06 0.00 2.96 -1.13 -1.30 118.68 123.52 1ugj s LEU 70 Ca 0.04 1.25 -0.05 0.00 -0.22 0.00 0.00 54.13 55.14 1ugj s LEU 70 Cb -0.04 -4.08 -0.02 0.00 0.50 0.00 0.00 46.19 42.55 1ugj s LEU 70 CO -0.14 -0.28 0.09 -0.31 -1.32 0.00 0.00 176.35 174.39 1ugj s TYR 71 N -2.13 0.30 -0.15 5.38 1.51 -1.08 -2.95 117.35 118.23 1ugj s TYR 71 Ca 0.53 -0.75 -0.01 0.00 -1.01 0.00 0.00 57.07 55.84 1ugj s TYR 71 Cb -0.10 -0.20 -0.01 0.00 -0.11 0.00 0.00 41.96 41.54 1ugj s TYR 71 CO 0.22 -0.44 -0.12 0.95 -1.11 0.00 0.00 175.55 175.05 1ugj s THR 72 N -3.62 3.04 0.05 -0.71 -4.23 -0.42 -0.82 115.64 108.94 1ugj s THR 72 Ca 0.04 -0.65 -0.27 0.00 -1.18 0.00 0.00 61.69 59.63 1ugj s THR 72 Cb 0.05 -2.30 -0.05 0.00 1.34 0.00 0.00 72.50 71.53 1ugj s THR 72 CO -0.09 0.50 0.83 -0.22 -0.54 0.00 0.00 174.62 175.10 1ugj s LEU 73 N 0.67 4.45 -0.17 4.79 2.96 -1.17 -0.33 118.68 129.86 1ugj s LEU 73 Ca -0.06 1.54 -0.27 0.00 -0.22 0.00 0.00 54.13 55.11 1ugj s LEU 73 Cb -0.15 -3.34 -0.01 0.00 0.50 0.00 0.00 46.19 43.19 1ugj s LEU 73 CO 0.02 -0.04 0.92 -0.44 -1.32 0.00 0.00 176.35 175.50 1ugj s SER 74 N 0.10 7.05 0.52 3.68 0.01 0.06 -4.64 113.70 120.48 1ugj s SER 74 Ca 0.42 1.30 0.32 0.00 1.31 0.00 0.00 55.95 59.29 1ugj s SER 74 Cb -0.21 -2.50 1.18 0.00 0.21 0.00 0.00 66.02 64.70 1ugj s SER 74 CO 0.25 -0.48 1.91 1.23 0.41 0.00 0.00 173.24 176.56 1ugj h GLY 75 N 8.56 0.00 1.95 3.44 0.00 -1.95 -2.72 103.07 112.35 1ugj h GLY 75 Ca -0.27 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.92 1ugj h GLY 75 CO 0.88 0.00 -0.63 1.05 0.00 0.00 0.00 176.54 177.83 1ugj h GLU 76 N 0.00 0.05 0.00 4.80 4.11 -1.95 -3.47 114.58 118.13 1ugj h GLU 76 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1ugj h GLU 76 Cb 0.59 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1ugj h GLU 76 CO 0.00 0.67 0.00 0.25 0.07 0.00 0.00 179.01 180.00 1ugj n THR 77 N -3.80 0.00 -0.07 -1.06 -2.24 -1.02 -5.06 114.28 101.03 1ugj n THR 77 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1ugj n THR 77 Cb 0.63 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 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 1.58 -2.00 -0.78 1.02 -1.26 -4.70 120.64 114.50 1ugj n GLU 78 Ca 0.00 -0.29 -0.30 0.00 -0.02 0.00 0.00 57.16 56.55 1ugj n GLU 78 Cb 0.00 -0.78 0.02 0.00 -0.02 0.00 0.00 31.44 30.66 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 -0.31 3.35 0.00 3.49 8.01 -1.26 -4.33 118.70 127.66 1ugj s GLU 79 Ca 0.00 0.56 0.00 0.00 0.01 0.00 0.00 54.97 55.54 1ugj s GLU 79 Cb 0.00 -2.11 0.00 0.00 -4.31 0.00 0.00 34.13 27.71 1ugj s GLU 79 CO 0.00 -0.66 0.00 1.28 0.01 0.00 0.00 175.26 175.89 1ugj n LEU 80 N -2.75 0.00 -3.70 1.80 4.32 -0.04 -0.76 117.00 115.88 1ugj n LEU 80 Ca 0.05 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.93 1ugj n LEU 80 Cb 0.55 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.25 1ugj n LEU 80 CO 0.57 -0.21 0.09 -0.55 -1.22 0.00 0.00 177.39 176.08 1ugj s SER 81 N -0.91 -0.51 -0.57 -1.43 0.15 0.55 -3.82 113.70 107.15 1ugj s SER 81 Ca 0.00 0.92 -0.26 0.00 0.70 0.00 0.00 55.95 57.31 1ugj s SER 81 Cb 0.00 0.85 -0.03 0.00 -1.71 0.00 0.00 66.02 65.13 1ugj s SER 81 CO 0.00 -0.18 2.01 -0.60 1.20 0.00 0.00 173.24 175.67 1ugj s ARG 82 N 0.92 2.50 -0.04 5.44 3.52 -0.78 -1.30 118.95 129.21 1ugj s ARG 82 Ca -0.06 0.85 -0.08 0.00 -0.13 0.00 0.00 55.73 56.31 1ugj s ARG 82 Cb -0.06 -4.44 -0.04 0.00 -1.56 0.00 0.00 34.95 28.85 1ugj s ARG 82 CO -0.07 -2.86 0.39 1.25 -0.81 0.00 0.00 175.30 173.20 1ugj h LEU 83 N 17.22 -0.23 -8.14 -0.88 5.85 -1.88 -3.48 115.31 123.76 1ugj h LEU 83 Ca -0.26 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.38 1ugj h LEU 83 Cb 1.19 0.06 -0.11 0.00 0.37 0.00 0.00 40.66 42.17 1ugj h LEU 83 CO 1.20 0.09 -0.25 0.00 -0.34 0.00 0.00 178.44 179.14 1ugj s ALA 84 N -3.36 -0.05 0.00 1.25 0.00 -1.16 -5.06 121.76 113.38 1ugj s ALA 84 Ca -0.04 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1ugj s ALA 84 Cb 0.00 0.98 0.00 0.00 0.00 0.00 0.00 23.12 24.10 1ugj s ALA 84 CO 0.12 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.57 1ugj n GLY 85 N -0.28 0.84 0.00 0.00 0.00 -1.26 -2.85 105.19 101.64 1ugj n GLY 85 Ca -0.05 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1ugj n GLY 85 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ugj n TYR 86 N 0.00 0.00 -1.78 1.61 9.36 -1.26 -5.06 117.16 120.02 1ugj n TYR 86 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1ugj n TYR 86 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1ugj n TYR 86 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ugj n GLY 87 N 0.00 1.42 3.70 2.98 0.00 -1.26 -4.84 105.19 107.19 1ugj n GLY 87 Ca 0.00 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 2.04 4.38 0.30 1.61 0.04 -1.26 -4.89 135.00 137.22 1ugj s PRO 88 Ca 0.00 1.70 0.15 0.00 0.04 0.00 0.00 61.00 62.90 1ugj s PRO 88 Cb 0.00 -3.50 1.06 0.00 0.04 0.00 0.00 34.50 32.10 1ugj s PRO 88 CO 0.00 -0.38 1.32 -2.13 0.04 0.00 0.00 177.00 175.85 1ugj n ARG 89 N 4.81 -0.05 -4.18 4.56 0.63 -1.26 -4.38 116.66 116.78 1ugj n ARG 89 Ca 0.10 1.17 -0.11 0.00 -0.92 0.00 0.00 57.85 58.09 1ugj n ARG 89 Cb 0.46 -2.06 -0.10 0.00 0.45 0.00 0.00 32.46 31.21 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 -5.35 0.04 0.03 5.15 2.01 -1.26 -1.87 115.64 114.39 1ugj s THR 90 Ca -0.08 -1.95 0.01 0.00 0.31 0.00 0.00 61.69 59.97 1ugj s THR 90 Cb 0.28 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 1ugj s THR 90 CO 0.65 -0.16 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.68 1ugj s VAL 91 N -4.12 0.26 0.28 3.82 1.01 -1.25 -4.95 120.40 115.46 1ugj s VAL 91 Ca 0.33 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.40 1ugj s VAL 91 Cb 0.07 -0.42 -0.06 0.00 0.00 0.00 0.00 36.38 35.97 1ugj s VAL 91 CO 0.08 -0.48 -0.09 0.42 0.00 0.00 0.00 175.10 175.04 1ugj s THR 92 N -1.51 1.85 -1.26 3.92 -4.23 -1.26 -0.86 115.64 112.29 1ugj s THR 92 Ca -0.13 -2.18 0.22 0.00 -1.18 0.00 0.00 61.69 58.43 1ugj s THR 92 Cb -0.09 -2.43 0.31 0.00 1.34 0.00 0.00 72.50 71.63 1ugj s THR 92 CO -0.01 -0.32 1.73 -0.81 -0.54 0.00 0.00 174.62 174.67 1ugj n PRO 93 N -0.61 0.20 0.09 3.99 -0.04 -1.26 -2.25 135.00 135.12 1ugj n PRO 93 Ca -0.06 0.09 0.05 0.00 -0.04 0.00 0.00 63.50 63.54 1ugj n PRO 93 Cb 0.63 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.57 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 2.95 0.64 0.00 0.55 0.00 -1.95 -3.30 119.26 118.15 1ugj h ALA 94 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ugj h ALA 94 Cb 0.28 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ugj h ALA 94 CO 0.00 0.51 -1.11 -1.33 0.00 0.00 0.00 179.25 177.32 1ugj n MET 95 N -2.90 0.50 -2.10 0.00 2.81 -0.95 -4.88 117.12 109.60 1ugj n MET 95 Ca -0.04 0.04 -0.42 0.00 -1.81 0.00 0.00 57.70 55.48 1ugj n MET 95 Cb 0.71 -1.71 -0.03 0.00 -0.71 0.00 0.00 33.22 31.47 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 -3.33 3.29 -0.14 2.03 0.11 -1.07 0.16 120.40 121.45 1ugj s VAL 96 Ca 0.00 0.82 -0.09 0.00 -2.93 0.00 0.00 61.98 59.79 1ugj s VAL 96 Cb 0.12 -3.53 -0.03 0.00 -1.53 0.00 0.00 36.38 31.41 1ugj s VAL 96 CO 0.80 0.03 -0.16 -0.08 -3.33 0.00 0.00 175.10 172.36 1ugj h GLU 97 N 7.47 0.00 -5.06 1.54 4.81 0.15 -3.45 114.58 120.04 1ugj h GLU 97 Ca -0.41 0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 58.43 1ugj h GLU 97 Cb 1.20 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 30.34 1ugj h GLU 97 CO 0.90 0.02 -0.77 0.20 -0.73 0.00 0.00 179.01 178.62 1ugj s GLY 98 N -4.22 0.69 0.05 1.92 0.00 -1.03 -4.94 107.32 99.79 1ugj s GLY 98 Ca -0.14 -0.77 0.09 0.00 0.00 0.00 0.00 44.72 43.89 1ugj s GLY 98 CO 0.21 -0.77 -0.25 -0.26 0.00 0.00 0.00 173.10 172.03 1ugj s ILE 99 N -0.94 2.02 0.16 0.90 -4.36 -1.26 -0.92 121.20 116.80 1ugj s ILE 99 Ca -0.01 -1.35 0.00 0.00 -0.26 0.00 0.00 60.65 59.03 1ugj s ILE 99 Cb -0.08 -1.73 -0.04 0.00 1.25 0.00 0.00 42.46 41.85 1ugj s ILE 99 CO 0.01 0.32 0.04 -0.31 0.24 0.00 0.00 174.94 175.24 1ugj s TYR 100 N -0.81 1.09 0.36 1.37 1.51 0.35 0.10 117.35 121.32 1ugj s TYR 100 Ca 0.11 -1.16 0.01 0.00 -1.01 0.00 0.00 57.07 55.02 1ugj s TYR 100 Cb -0.10 -0.61 0.01 0.00 -0.11 0.00 0.00 41.96 41.15 1ugj s TYR 100 CO 0.02 -0.39 0.08 0.36 -1.11 0.00 0.00 175.55 174.51 1ugj n LYS 101 N -0.20 1.08 -3.98 -0.62 2.85 0.32 0.19 118.16 117.80 1ugj n LYS 101 Ca -0.05 -2.54 -0.30 0.00 -1.05 0.00 0.00 58.31 54.37 1ugj n LYS 101 Cb 0.64 0.57 -0.16 0.00 -0.65 0.00 0.00 35.03 35.43 1ugj n LYS 101 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 1ugj s TYR 102 N -2.18 2.39 -0.78 5.58 6.14 -1.26 -2.97 117.35 124.27 1ugj s TYR 102 Ca 0.06 -1.61 -0.26 0.00 0.64 0.00 0.00 57.07 55.90 1ugj s TYR 102 Cb -0.00 -1.62 0.03 0.00 0.42 0.00 0.00 41.96 40.79 1ugj s TYR 102 CO 0.04 -0.74 1.36 -0.80 0.64 0.00 0.00 175.55 176.04 1ugj s ASN 103 N 1.40 6.15 0.00 4.32 0.01 0.89 -4.80 114.94 122.91 1ugj s ASN 103 Ca -0.02 -0.58 0.08 0.00 -0.71 0.00 0.00 52.86 51.63 1ugj s ASN 103 Cb -0.17 -2.56 0.27 0.00 0.41 0.00 0.00 41.25 39.20 1ugj s ASN 103 CO -0.08 -1.83 1.21 -1.20 -1.51 0.00 0.00 177.10 173.69 1ugj n SER 104 N 9.57 0.98 -0.04 -1.22 7.64 -1.26 0.13 113.62 129.43 1ugj n SER 104 Ca 0.10 -1.94 -0.04 0.00 1.01 0.00 0.00 58.87 57.99 1ugj n SER 104 Cb 0.50 -0.12 -0.04 0.00 -1.01 0.00 0.00 64.21 63.54 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 0.01 3.41 -0.00 6.43 8.00 -1.26 -4.64 116.55 128.50 1ugj n ASP 105 Ca 0.07 -0.02 0.08 0.00 0.71 0.00 0.00 54.79 55.63 1ugj n ASP 105 Cb 0.16 0.26 -0.10 0.00 -0.02 0.00 0.00 41.12 41.43 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 -2.49 1.51 -2.14 -1.24 1.74 -1.22 -4.97 116.66 107.85 1ugj n ARG 106 Ca -0.12 -0.02 -0.14 0.00 -0.77 0.00 0.00 57.85 56.80 1ugj n ARG 106 Cb 0.68 -1.28 -0.01 0.00 -1.02 0.00 0.00 32.46 30.82 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 -1.45 -1.08 -2.86 5.56 5.02 0.12 -4.99 118.16 118.47 1ugj n LYS 107 Ca 0.02 0.72 -0.10 0.00 -2.02 0.00 0.00 58.31 56.93 1ugj n LYS 107 Cb 0.27 -4.96 -0.02 0.00 -0.02 0.00 0.00 35.03 30.30 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 -2.37 1.37 -4.94 1.97 5.12 -1.02 -4.96 116.66 111.83 1ugj n ARG 108 Ca -0.16 -1.20 -0.26 0.00 -1.93 0.00 0.00 57.85 54.30 1ugj n ARG 108 Cb 0.60 0.41 -0.16 0.00 -1.16 0.00 0.00 32.46 32.16 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 -1.73 1.74 0.23 -1.55 0.40 -1.26 -0.08 117.98 115.73 1ugj s PHE 109 Ca 0.02 -0.34 0.09 0.00 -0.60 0.00 0.00 56.93 56.10 1ugj s PHE 109 Cb 0.00 -1.12 -0.05 0.00 0.51 0.00 0.00 43.02 42.36 1ugj s PHE 109 CO 0.01 -0.04 -0.15 0.99 0.70 0.00 0.00 175.22 176.74 1ugj s THR 110 N -0.44 1.89 0.12 0.64 2.01 -1.16 -4.94 115.64 113.76 1ugj s THR 110 Ca 0.07 -2.24 0.02 0.00 0.31 0.00 0.00 61.69 59.84 1ugj s THR 110 Cb -0.08 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1ugj s THR 110 CO -0.01 -0.52 0.26 -1.58 -0.69 0.00 0.00 174.62 172.09 1ugj s GLN 111 N -3.63 3.44 -0.03 4.92 0.74 -1.26 0.12 119.66 123.97 1ugj s GLN 111 Ca 0.25 -0.54 -0.11 0.00 0.05 0.00 0.00 55.36 55.01 1ugj s GLN 111 Cb -0.01 -2.99 -0.05 0.00 1.10 0.00 0.00 33.01 31.06 1ugj s GLN 111 CO 0.09 0.55 0.31 0.42 -0.55 0.00 0.00 175.29 176.11 1ugj s ILE 112 N -1.67 5.22 -1.60 -2.34 -1.09 0.12 -4.78 121.20 115.06 1ugj s ILE 112 Ca 0.35 0.52 0.23 0.00 -2.23 0.00 0.00 60.65 59.52 1ugj s ILE 112 Cb -0.12 -3.59 0.48 0.00 -1.58 0.00 0.00 42.46 37.65 1ugj s ILE 112 CO 0.28 0.53 1.76 -0.81 -1.23 0.00 0.00 174.94 175.48 1ugj n PRO 113 N 1.68 0.45 -4.12 2.79 -0.04 -1.26 -4.70 135.00 129.80 1ugj n PRO 113 Ca -0.15 0.05 -0.22 0.00 -0.04 0.00 0.00 63.50 63.14 1ugj n PRO 113 Cb 0.53 -1.50 -0.05 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 -2.40 3.52 -1.06 0.55 0.00 -1.26 -5.02 121.76 116.09 1ugj s ALA 114 Ca 0.26 -1.50 0.10 0.00 0.00 0.00 0.00 51.96 50.82 1ugj s ALA 114 Cb 0.16 -1.17 0.17 0.00 0.00 0.00 0.00 23.12 22.28 1ugj s ALA 114 CO 0.33 0.23 1.00 1.63 0.00 0.00 0.00 175.76 178.95 1ugj n LYS 115 N -1.14 1.52 -3.69 0.00 5.02 -1.26 -4.47 118.16 114.15 1ugj n LYS 115 Ca -0.07 -1.51 -0.22 0.00 -2.02 0.00 0.00 58.31 54.49 1ugj n LYS 115 Cb 0.58 -1.22 -0.03 0.00 -0.02 0.00 0.00 35.03 34.35 1ugj n LYS 115 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ugj s THR 116 N -0.91 2.38 0.90 -0.18 2.01 -1.26 -4.85 115.64 113.72 1ugj s THR 116 Ca 0.16 -1.41 -0.12 0.00 0.31 0.00 0.00 61.69 60.63 1ugj s THR 116 Cb 0.09 -2.79 0.13 0.00 0.01 0.00 0.00 72.50 69.94 1ugj s THR 116 CO 0.13 0.00 1.09 -0.04 -0.69 0.00 0.00 174.62 175.12 1ugj s MET 117 N -4.15 1.25 -0.09 4.92 -1.94 -1.26 -4.97 119.30 113.05 1ugj s MET 117 Ca 0.45 0.80 -0.33 0.00 -1.71 0.00 0.00 55.69 54.90 1ugj s MET 117 Cb -0.02 -1.81 0.14 0.00 2.01 0.00 0.00 34.83 35.15 1ugj s MET 117 CO 0.26 -2.24 1.38 -1.54 -0.01 0.00 0.00 175.02 172.87 1ugj s SER 118 N -3.44 -0.02 -0.19 3.03 1.04 -1.26 -5.00 113.70 107.85 1ugj s SER 118 Ca 0.63 -0.04 0.02 0.00 0.48 0.00 0.00 55.95 57.04 1ugj s SER 118 Cb -0.18 0.06 0.30 0.00 0.10 0.00 0.00 66.02 66.30 1ugj s SER 118 CO 0.57 -0.11 1.37 0.23 0.98 0.00 0.00 173.24 176.28 1ugj n MET 119 N -0.44 1.64 -0.02 4.02 2.81 -1.26 -3.31 117.12 120.55 1ugj n MET 119 Ca -0.08 -1.31 0.00 0.00 -1.81 0.00 0.00 57.70 54.50 1ugj n MET 119 Cb 0.63 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.60 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 -0.18 0.58 -4.72 7.83 7.64 -1.26 -4.70 113.62 118.82 1ugj n SER 120 Ca 0.25 -1.35 -0.35 0.00 1.01 0.00 0.00 58.87 58.43 1ugj n SER 120 Cb 0.98 -0.02 -0.08 0.00 -1.01 0.00 0.00 64.21 64.08 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 -0.32 5.00 0.00 0.44 1.01 -1.21 -4.09 120.40 121.23 1ugj s VAL 121 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1ugj s VAL 121 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1ugj s VAL 121 CO 0.00 0.52 0.56 0.47 0.00 0.00 0.00 175.10 176.65 1ugj n ASP 122 N 2.95 0.99 -3.61 3.32 9.92 0.51 -4.88 116.55 125.75 1ugj n ASP 122 Ca -0.18 -1.30 -0.12 0.00 -0.53 0.00 0.00 54.79 52.67 1ugj n ASP 122 Cb 0.53 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.95 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 -0.30 -1.89 0.09 2.24 0.00 -0.61 -3.72 121.76 117.57 1ugj s ALA 123 Ca 0.00 1.76 -0.15 0.00 0.00 0.00 0.00 51.96 53.57 1ugj s ALA 123 Cb 0.00 -1.02 0.03 0.00 0.00 0.00 0.00 23.12 22.13 1ugj s ALA 123 CO 0.00 -0.29 0.36 -0.59 0.00 0.00 0.00 175.76 175.24 1ugj s PHE 124 N -0.24 -0.16 -0.15 0.00 -0.71 -1.17 0.13 117.98 115.68 1ugj s PHE 124 Ca -0.01 -0.08 -0.02 0.00 -1.04 0.00 0.00 56.93 55.78 1ugj s PHE 124 Cb -0.03 0.18 0.05 0.00 -1.21 0.00 0.00 43.02 42.01 1ugj s PHE 124 CO -0.01 -0.62 0.03 0.95 -1.34 0.00 0.00 175.22 174.23 1ugj s THR 125 N -3.29 0.44 1.18 -4.49 -4.23 -0.10 -3.79 115.64 101.35 1ugj s THR 125 Ca -0.00 -0.30 -0.15 0.00 -1.18 0.00 0.00 61.69 60.06 1ugj s THR 125 Cb 0.01 -0.83 0.28 0.00 1.34 0.00 0.00 72.50 73.30 1ugj s THR 125 CO -0.08 -0.05 1.04 0.27 -0.54 0.00 0.00 174.62 175.26 1ugj s ILE 126 N 1.91 1.81 0.76 2.99 -4.36 -1.26 0.17 121.20 123.22 1ugj s ILE 126 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 60.65 60.29 1ugj s ILE 126 Cb -0.15 -2.24 0.18 0.00 1.25 0.00 0.00 42.46 41.49 1ugj s ILE 126 CO -0.07 0.00 0.40 0.00 0.24 0.00 0.00 174.94 175.51 1ugj n GLN 127 N -4.85 -2.38 -0.12 0.37 6.02 0.42 -4.32 117.38 112.51 1ugj n GLN 127 Ca 0.06 -0.67 -0.21 0.00 -0.01 0.00 0.00 57.00 56.17 1ugj n GLN 127 Cb 0.57 -1.03 -0.10 0.00 1.02 0.00 0.00 30.24 30.70 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 -2.25 -0.36 0.34 1.08 0.00 -1.26 -4.31 105.19 98.44 1ugj n GLY 128 Ca 0.06 -0.14 0.15 0.00 0.00 0.00 0.00 46.02 46.10 1ugj n GLY 128 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1ugj h HIS 129 N -0.36 0.00 0.23 1.61 2.07 -1.99 -1.87 115.15 114.84 1ugj h HIS 129 Ca -0.57 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 56.94 1ugj h HIS 129 Cb 1.71 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.69 1ugj h HIS 129 CO -0.02 0.00 -0.16 -0.07 -3.07 0.00 0.00 177.93 174.62 1ugj h LEU 130 N 0.00 -0.41 -0.34 6.12 4.07 -1.88 0.34 115.31 123.21 1ugj h LEU 130 Ca 0.03 0.03 0.08 0.00 0.08 0.00 0.00 57.88 58.09 1ugj h LEU 130 Cb 0.77 0.12 -0.08 0.00 1.08 0.00 0.00 40.66 42.55 1ugj h LEU 130 CO -0.00 -0.23 -0.19 -0.50 -1.08 0.00 0.00 178.44 176.43 1ugj h TRP 131 N -0.36 -0.49 -0.94 1.13 4.06 -1.60 -0.37 115.95 117.37 1ugj h TRP 131 Ca -0.03 0.04 0.18 0.00 2.06 0.00 0.00 58.89 61.14 1ugj h TRP 131 Cb 0.30 0.27 -0.17 0.00 -1.00 0.00 0.00 29.16 28.56 1ugj h TRP 131 CO -0.01 -0.27 -0.28 1.96 -3.56 0.00 0.00 178.44 176.28 1ugj h GLN 132 N -0.14 -0.01 -7.03 0.49 4.20 -1.32 -3.39 115.11 107.90 1ugj h GLN 132 Ca 0.17 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 58.44 1ugj h GLN 132 Cb 0.41 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.25 1ugj h GLN 132 CO -0.43 -0.01 0.08 0.45 -0.67 0.00 0.00 178.83 178.25 1ugj s SER 133 N -5.28 5.16 -0.12 1.46 0.15 0.09 -5.09 113.70 110.07 1ugj s SER 133 Ca -0.15 0.26 0.03 0.00 0.70 0.00 0.00 55.95 56.79 1ugj s SER 133 Cb 0.24 -1.08 0.01 0.00 -1.71 0.00 0.00 66.02 63.47 1ugj s SER 133 CO 0.75 -1.28 -0.20 -0.75 1.20 0.00 0.00 173.24 172.96 1ugj s LYS 134 N -4.96 2.79 -0.12 5.44 2.20 -1.26 -4.83 119.74 119.01 1ugj s LYS 134 Ca 0.57 -0.77 -0.02 0.00 -0.36 0.00 0.00 55.97 55.39 1ugj s LYS 134 Cb -0.10 -2.24 0.01 0.00 -1.51 0.00 0.00 37.83 33.98 1ugj s LYS 134 CO 0.41 0.01 0.05 1.17 -0.36 0.00 0.00 175.35 176.63 1ugj n LYS 135 N 3.99 -2.17 0.05 4.03 4.81 -1.26 -4.89 118.16 122.71 1ugj n LYS 135 Ca -0.20 1.92 -0.13 0.00 -0.87 0.00 0.00 58.31 59.04 1ugj n LYS 135 Cb 0.52 -2.89 -0.09 0.00 0.02 0.00 0.00 35.03 32.59 1ugj n LYS 135 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1ugj h SER 136 N 3.88 -0.10 -1.19 3.14 0.87 -1.92 -3.49 113.55 114.75 1ugj h SER 136 Ca -0.11 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1ugj h SER 136 Cb 0.57 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1ugj h SER 136 CO 0.03 0.23 0.00 0.61 -0.53 0.00 0.00 176.83 177.17 1ugj n GLY 137 N -0.26 4.26 3.61 5.77 0.00 -1.26 -5.08 105.19 112.23 1ugj n GLY 137 Ca -0.08 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.97 3.65 0.00 1.61 0.04 -1.26 -4.52 135.00 131.55 1ugj s PRO 138 Ca 0.00 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1ugj s PRO 138 Cb 0.00 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1ugj s PRO 138 CO 0.00 -1.47 0.00 0.43 0.04 0.00 0.00 177.00 176.00 1ugj n SER 139 N 8.58 0.00 -2.49 6.66 7.64 -1.26 -4.72 113.62 128.02 1ugj n SER 139 Ca 0.16 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.99 1ugj n SER 139 Cb 0.48 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.68 1ugj n SER 139 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ugj n SER 140 N 1.54 -6.50 0.00 6.43 2.88 -1.26 -5.18 113.62 111.52 1ugj n SER 140 Ca 0.00 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 1ugj n SER 140 Cb 0.00 -4.31 0.00 0.00 -0.75 0.00 0.00 64.21 59.15 1ugj n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42