#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 -0.06 -0.00 1.61 1.04 -1.26 -5.19 113.70 109.83 1ugj s SER 2 Ca 0.00 -0.12 -0.30 0.00 0.48 0.00 0.00 55.95 56.01 1ugj s SER 2 Cb 0.00 0.15 0.11 0.00 0.10 0.00 0.00 66.02 66.39 1ugj s SER 2 CO 0.00 -0.28 1.22 -0.55 0.98 0.00 0.00 173.24 174.60 1ugj s SER 3 N -2.89 -0.09 -0.07 7.02 0.15 -1.26 -5.19 113.70 111.36 1ugj s SER 3 Ca 0.14 -0.17 -0.32 0.00 0.70 0.00 0.00 55.95 56.31 1ugj s SER 3 Cb 0.04 0.22 0.13 0.00 -1.71 0.00 0.00 66.02 64.70 1ugj s SER 3 CO -0.04 -0.40 1.38 -0.83 1.20 0.00 0.00 173.24 174.55 1ugj s GLY 4 N -2.89 -0.40 -0.49 9.45 0.00 -1.26 -5.11 107.32 106.63 1ugj s GLY 4 Ca 0.13 0.68 0.06 0.00 0.00 0.00 0.00 44.72 45.59 1ugj s GLY 4 CO -0.03 1.84 0.86 -1.26 0.00 0.00 0.00 173.10 174.52 1ugj n SER 5 N -0.64 -2.98 -3.64 1.64 2.88 -1.26 -5.12 113.62 104.50 1ugj n SER 5 Ca -0.06 -3.09 -0.02 0.00 -1.33 0.00 0.00 58.87 54.37 1ugj n SER 5 Cb 0.62 1.75 -0.07 0.00 -0.75 0.00 0.00 64.21 65.76 1ugj n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ugj s SER 6 N -0.84 -0.50 -0.39 -3.46 1.04 -1.26 -5.11 113.70 103.17 1ugj s SER 6 Ca 0.31 0.80 -0.32 0.00 0.48 0.00 0.00 55.95 57.22 1ugj s SER 6 Cb 0.16 1.20 -0.10 0.00 0.10 0.00 0.00 66.02 67.37 1ugj s SER 6 CO -0.18 -0.13 2.27 0.61 0.98 0.00 0.00 173.24 176.79 1ugj n GLY 7 N 3.66 0.47 3.74 7.32 0.00 -1.26 -4.89 105.19 114.23 1ugj n GLY 7 Ca -0.18 0.88 -0.41 0.00 0.00 0.00 0.00 46.02 46.31 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 6.75 4.56 0.00 1.61 0.04 -1.26 -5.05 135.00 141.65 1ugj s PRO 8 Ca 1.08 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.87 1ugj s PRO 8 Cb -0.70 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 30.56 1ugj s PRO 8 CO 0.43 0.01 0.00 0.54 0.04 0.00 0.00 177.00 178.02 1ugj n ARG 9 N 2.57 1.83 -0.03 4.56 3.00 -1.26 -5.01 116.66 122.32 1ugj n ARG 9 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.88 1ugj n ARG 9 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.92 1ugj n ARG 9 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1ugj n LEU 10 N 0.00 -1.36 -3.95 0.55 0.00 -1.26 -4.80 117.00 106.18 1ugj n LEU 10 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 56.01 55.61 1ugj n LEU 10 Cb 0.00 0.55 -0.13 0.00 0.00 0.00 0.00 43.42 43.85 1ugj n LEU 10 CO 0.00 0.00 1.88 0.00 0.00 0.00 0.00 177.39 179.27 1ugj n TYR 11 N 0.66 0.62 -3.50 1.96 4.19 -1.26 -4.82 117.16 115.02 1ugj n TYR 11 Ca 0.00 0.42 -0.13 0.00 3.31 0.00 0.00 57.90 61.50 1ugj n TYR 11 Cb 0.00 -2.10 -0.04 0.00 0.49 0.00 0.00 39.34 37.69 1ugj n TYR 11 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 1ugj s LYS 12 N 7.38 0.97 0.28 2.98 2.36 -1.26 -5.17 119.74 127.28 1ugj s LYS 12 Ca 1.18 -0.10 -0.04 0.00 -2.55 0.00 0.00 55.97 54.45 1ugj s LYS 12 Cb -1.17 0.45 -0.05 0.00 -1.05 0.00 0.00 37.83 36.01 1ugj s LYS 12 CO 0.47 -0.37 0.54 -1.83 1.55 0.00 0.00 175.35 175.71 1ugj s GLU 13 N -2.35 3.62 0.20 4.03 1.03 -1.26 -5.10 118.70 118.87 1ugj s GLU 13 Ca -0.02 -0.03 -0.03 0.00 0.03 0.00 0.00 54.97 54.91 1ugj s GLU 13 Cb -0.01 -2.67 0.05 0.00 -0.80 0.00 0.00 34.13 30.70 1ugj s GLU 13 CO -0.03 0.23 0.22 -0.35 -1.33 0.00 0.00 175.26 174.01 1ugj n PRO 14 N -0.91 -0.81 -3.87 -4.83 -0.04 -1.26 -5.04 135.00 118.24 1ugj n PRO 14 Ca -0.02 -0.34 -0.36 0.00 -0.04 0.00 0.00 63.50 62.74 1ugj n PRO 14 Cb 0.54 -0.27 -0.14 0.00 -0.04 0.00 0.00 33.50 33.59 1ugj n PRO 14 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ugj s SER 15 N -1.95 4.66 1.21 3.54 0.01 -1.26 -5.10 113.70 114.81 1ugj s SER 15 Ca 0.13 -0.75 -0.18 0.00 1.31 0.00 0.00 55.95 56.47 1ugj s SER 15 Cb -0.01 -1.76 0.26 0.00 0.21 0.00 0.00 66.02 64.72 1ugj s SER 15 CO 0.10 -0.14 0.57 0.00 0.41 0.00 0.00 173.24 174.17 1ugj n ALA 16 N 4.77 -2.91 -2.82 1.44 0.00 -1.26 -5.04 120.51 114.69 1ugj n ALA 16 Ca -0.16 -1.43 -0.14 0.00 0.00 0.00 0.00 53.44 51.71 1ugj n ALA 16 Cb 0.48 -1.29 -0.13 0.00 0.00 0.00 0.00 19.45 18.50 1ugj n ALA 16 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ugj s LYS 17 N -4.15 0.38 0.22 0.00 1.02 -1.26 -4.97 119.74 110.98 1ugj s LYS 17 Ca 0.52 -0.34 0.00 0.00 0.02 0.00 0.00 55.97 56.17 1ugj s LYS 17 Cb -0.11 -0.28 0.00 0.00 -0.52 0.00 0.00 37.83 36.92 1ugj s LYS 17 CO 0.48 0.07 0.00 0.43 -0.92 0.00 0.00 175.35 175.41 1ugj n SER 18 N 2.48 -9.09 -1.60 2.83 7.64 -1.26 -4.93 113.62 109.68 1ugj n SER 18 Ca -0.16 1.40 -0.06 0.00 1.01 0.00 0.00 58.87 61.05 1ugj n SER 18 Cb 0.57 -5.14 0.09 0.00 -1.01 0.00 0.00 64.21 58.72 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 1.88 2.80 0.17 6.43 6.94 -1.10 -4.81 115.26 127.57 1ugj n ASN 19 Ca 0.00 -3.30 -0.14 0.00 -0.02 0.00 0.00 54.58 51.12 1ugj n ASN 19 Cb 0.00 -0.42 -0.08 0.00 -2.36 0.00 0.00 39.78 36.92 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 1.69 -0.40 0.00 -3.83 3.64 -1.92 -2.43 116.57 113.32 1ugj h LYS 20 Ca 0.09 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1ugj h LYS 20 Cb 1.37 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.28 1ugj h LYS 20 CO 0.33 -0.12 -0.00 0.74 -2.27 0.00 0.00 179.45 178.13 1ugj h PHE 21 N -0.68 0.00 0.00 1.91 -1.00 -1.93 0.23 116.94 115.48 1ugj h PHE 21 Ca -0.04 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.70 1ugj h PHE 21 Cb 0.47 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 1ugj h PHE 21 CO 0.01 0.00 -0.17 0.82 -1.61 0.00 0.00 178.31 177.36 1ugj h ILE 22 N 0.00 0.42 0.13 -0.55 2.04 -1.83 -3.00 117.51 114.72 1ugj h ILE 22 Ca -0.00 -0.98 -0.26 0.00 1.00 0.00 0.00 64.86 64.61 1ugj h ILE 22 Cb 0.00 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1ugj h ILE 22 CO 0.00 0.17 -1.31 0.40 0.00 0.00 0.00 178.15 177.41 1ugj h ILE 23 N 0.00 1.13 -1.05 -0.67 1.08 -0.11 -2.49 117.51 115.40 1ugj h ILE 23 Ca -0.00 -2.44 0.27 0.00 -0.39 0.00 0.00 64.86 62.30 1ugj h ILE 23 Cb 0.70 2.82 -0.10 0.00 -3.07 0.00 0.00 36.82 37.17 1ugj h ILE 23 CO 0.02 0.71 0.67 0.45 -0.69 0.00 0.00 178.15 179.32 1ugj h HIS 24 N -0.29 0.66 0.21 1.37 3.86 -1.18 0.38 115.15 120.17 1ugj h HIS 24 Ca -0.27 0.02 -0.32 0.00 -1.16 0.00 0.00 60.37 58.64 1ugj h HIS 24 Cb 1.76 -0.19 0.03 0.00 1.06 0.00 0.00 27.41 30.06 1ugj h HIS 24 CO 0.14 0.05 -1.46 -0.91 0.86 0.00 0.00 177.93 176.61 1ugj h ASN 25 N 0.38 0.70 -0.96 2.45 2.35 -1.62 -3.10 115.58 115.79 1ugj h ASN 25 Ca 0.61 -0.93 0.18 0.00 -0.55 0.00 0.00 56.30 55.62 1ugj h ASN 25 Cb 1.55 -0.23 -0.09 0.00 0.05 0.00 0.00 38.32 39.61 1ugj h ASN 25 CO -0.31 1.69 0.61 0.00 -1.65 0.00 0.00 177.43 177.76 1ugj h ALA 26 N 0.11 1.88 0.24 -0.83 0.00 0.06 1.57 119.26 122.30 1ugj h ALA 26 Ca -0.27 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1ugj h ALA 26 Cb 2.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1ugj h ALA 26 CO 0.22 -0.20 -0.11 -0.07 0.00 0.00 0.00 179.25 179.09 1ugj h LEU 27 N 0.64 -0.27 0.00 0.00 3.38 -0.62 -1.97 115.31 116.47 1ugj h LEU 27 Ca 0.52 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1ugj h LEU 27 Cb 0.95 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1ugj h LEU 27 CO -0.27 0.10 0.00 -1.20 0.09 0.00 0.00 178.44 177.16 1ugj n SER 28 N -5.08 0.00 -0.02 -0.43 7.64 -0.31 0.19 113.62 115.62 1ugj n SER 28 Ca -0.09 0.03 -0.17 0.00 1.01 0.00 0.00 58.87 59.65 1ugj n SER 28 Cb 0.25 -0.28 -0.14 0.00 -1.01 0.00 0.00 64.21 63.04 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 0.24 0.00 1.43 3.86 0.27 -3.43 115.15 117.51 1ugj h HIS 29 Ca 0.00 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 1ugj h HIS 29 Cb 0.15 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1ugj h HIS 29 CO 0.00 1.16 0.00 0.00 0.86 0.00 0.00 177.93 179.95 1ugj n LEU 32 N -5.33 -0.64 -4.16 0.00 4.77 0.13 -3.67 117.00 108.10 1ugj n LEU 32 Ca 0.30 -3.95 -0.32 0.00 -0.03 0.00 0.00 56.01 52.01 1ugj n LEU 32 Cb 1.01 0.53 -0.17 0.00 -2.33 0.00 0.00 43.42 42.46 1ugj n LEU 32 CO -0.01 1.97 -0.54 0.00 -1.33 0.00 0.00 177.39 177.48 1ugj s ALA 33 N -1.14 2.15 0.00 -1.18 0.00 0.77 -4.12 121.76 118.24 1ugj s ALA 33 Ca 0.27 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1ugj s ALA 33 Cb 0.37 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.55 1ugj s ALA 33 CO -0.05 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.14 1ugj n GLY 34 N 3.99 1.24 0.14 0.00 0.00 -1.26 -4.78 105.19 104.52 1ugj n GLY 34 Ca -0.20 -1.52 -0.14 0.00 0.00 0.00 0.00 46.02 44.16 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 0.39 -0.20 1.61 3.11 -1.97 0.14 116.57 119.64 1ugj h LYS 35 Ca 0.00 -0.25 -0.04 0.00 -2.81 0.00 0.00 60.65 57.56 1ugj h LYS 35 Cb 0.00 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.24 1ugj h LYS 35 CO 0.00 0.84 -0.03 -0.39 -2.81 0.00 0.00 179.45 177.06 1ugj h VAL 36 N -0.01 1.15 -0.57 2.00 -1.51 -2.01 -0.19 116.25 115.11 1ugj h VAL 36 Ca 0.01 -0.61 -0.03 0.00 -1.23 0.00 0.00 66.70 64.84 1ugj h VAL 36 Cb 0.82 1.04 -0.02 0.00 -2.13 0.00 0.00 31.29 30.99 1ugj h VAL 36 CO 0.05 0.20 0.04 0.59 -1.23 0.00 0.00 177.57 177.22 1ugj n ASN 37 N -4.34 5.50 0.12 4.19 3.02 -1.13 -4.30 115.26 118.32 1ugj n ASN 37 Ca -0.00 -2.99 -0.24 0.00 -0.03 0.00 0.00 54.58 51.33 1ugj n ASN 37 Cb 0.21 -0.69 -0.15 0.00 -0.61 0.00 0.00 39.78 38.55 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 3.65 0.53 -0.03 3.52 4.81 0.12 -1.59 114.58 125.60 1ugj h GLU 38 Ca 0.04 -0.85 -0.12 0.00 -0.13 0.00 0.00 59.36 58.30 1ugj h GLU 38 Cb 2.00 0.31 0.01 0.00 0.63 0.00 0.00 28.75 31.69 1ugj h GLU 38 CO 0.51 1.40 -0.45 -1.00 -0.73 0.00 0.00 179.01 178.74 1ugj h PRO 39 N 0.11 0.35 0.29 0.92 0.13 -1.75 -3.19 132.00 128.86 1ugj h PRO 39 Ca -0.22 -0.34 -0.01 0.00 -0.87 0.00 0.00 66.00 64.55 1ugj h PRO 39 Cb 2.03 0.09 0.00 0.00 0.13 0.00 0.00 31.00 33.25 1ugj h PRO 39 CO 0.25 1.01 -0.14 0.37 -0.23 0.00 0.00 178.00 179.26 1ugj h GLN 40 N -0.19 -0.37 -0.91 0.86 4.15 -1.79 -2.83 115.11 114.04 1ugj h GLN 40 Ca -0.05 0.03 0.15 0.00 0.77 0.00 0.00 58.65 59.55 1ugj h GLN 40 Cb 1.15 0.08 -0.15 0.00 0.21 0.00 0.00 27.48 28.77 1ugj h GLN 40 CO 0.09 -0.08 -0.33 1.17 -1.93 0.00 0.00 178.83 177.76 1ugj n LYS 41 N -5.14 -0.18 -0.13 1.69 4.81 -0.60 0.20 118.16 118.81 1ugj n LYS 41 Ca -0.10 1.40 -0.04 0.00 -0.87 0.00 0.00 58.31 58.71 1ugj n LYS 41 Cb 0.25 -2.08 0.04 0.00 0.02 0.00 0.00 35.03 33.26 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 -0.09 -0.90 3.14 2.35 -1.52 0.54 115.58 119.10 1ugj h ASN 42 Ca 0.34 0.09 0.10 0.00 -0.55 0.00 0.00 56.30 56.28 1ugj h ASN 42 Cb 0.57 0.14 -0.07 0.00 0.05 0.00 0.00 38.32 39.02 1ugj h ASN 42 CO -0.91 -0.01 0.58 0.03 -1.65 0.00 0.00 177.43 175.47 1ugj h ARG 43 N 0.16 0.87 0.42 0.81 2.47 0.26 -0.76 114.38 118.61 1ugj h ARG 43 Ca 0.21 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.86 1ugj h ARG 43 Cb 0.29 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 1ugj h ARG 43 CO -0.32 0.58 -0.20 0.82 0.56 0.00 0.00 179.97 181.41 1ugj h ILE 44 N 0.90 0.00 -1.08 2.04 1.08 0.18 -0.99 117.51 119.63 1ugj h ILE 44 Ca 0.42 -0.45 0.43 0.00 -0.39 0.00 0.00 64.86 64.86 1ugj h ILE 44 Cb 0.40 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 33.98 1ugj h ILE 44 CO -0.18 0.00 0.62 0.18 -0.69 0.00 0.00 178.15 178.08 1ugj n LEU 45 N -4.76 0.31 0.23 1.44 4.32 0.17 0.03 117.00 118.74 1ugj n LEU 45 Ca -0.07 1.58 -0.10 0.00 -0.02 0.00 0.00 56.01 57.40 1ugj n LEU 45 Cb 0.22 -0.77 -0.05 0.00 -1.62 0.00 0.00 43.42 41.20 1ugj n LEU 45 CO 0.17 -1.76 0.27 -0.33 -1.22 0.00 0.00 177.39 174.52 1ugj h GLU 46 N 0.00 -0.63 -0.90 3.23 4.39 -1.09 -2.43 114.58 117.15 1ugj h GLU 46 Ca 0.85 0.04 0.16 0.00 0.34 0.00 0.00 59.36 60.75 1ugj h GLU 46 Cb 2.37 0.14 -0.16 0.00 -0.10 0.00 0.00 28.75 31.01 1ugj h GLU 46 CO -0.69 -0.42 -0.29 0.39 -1.16 0.00 0.00 179.01 176.84 1ugj n GLU 47 N -5.06 -0.15 0.04 2.33 1.02 0.10 0.18 120.64 119.10 1ugj n GLU 47 Ca -0.08 1.40 -0.11 0.00 -0.02 0.00 0.00 57.16 58.35 1ugj n GLU 47 Cb 0.26 -2.08 -0.05 0.00 -0.02 0.00 0.00 31.44 29.55 1ugj n GLU 47 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1ugj h ILE 48 N 0.00 0.73 -0.84 -3.67 2.04 -1.19 1.57 117.51 116.16 1ugj h ILE 48 Ca 0.37 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.26 1ugj h ILE 48 Cb 0.60 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 1ugj h ILE 48 CO -0.91 0.00 0.54 -0.33 0.00 0.00 0.00 178.15 177.45 1ugj h GLU 49 N -0.16 1.05 -0.19 2.37 5.08 0.15 -1.39 114.58 121.49 1ugj h GLU 49 Ca 0.05 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1ugj h GLU 49 Cb 0.22 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1ugj h GLU 49 CO -0.13 0.69 -0.43 1.57 -1.00 0.00 0.00 179.01 179.72 1ugj h LYS 50 N 1.08 0.45 -6.78 2.33 2.10 0.27 -3.43 116.57 112.59 1ugj h LYS 50 Ca 0.32 -0.24 -0.50 0.00 -2.00 0.00 0.00 60.65 58.24 1ugj h LYS 50 Cb -0.04 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 1ugj h LYS 50 CO -0.10 0.80 0.42 0.45 -2.00 0.00 0.00 179.45 179.02 1ugj s SER 51 N -6.87 7.44 -0.20 7.07 0.15 0.53 -4.92 113.70 116.91 1ugj s SER 51 Ca -0.06 2.12 0.06 0.00 0.70 0.00 0.00 55.95 58.77 1ugj s SER 51 Cb 0.12 -2.62 0.48 0.00 -1.71 0.00 0.00 66.02 62.29 1ugj s SER 51 CO 0.81 -0.01 1.38 1.17 1.20 0.00 0.00 173.24 177.80 1ugj n LYS 52 N 1.34 2.84 -3.42 5.44 4.81 -1.26 -4.83 118.16 123.08 1ugj n LYS 52 Ca -0.01 -1.93 -0.30 0.00 -0.87 0.00 0.00 58.31 55.20 1ugj n LYS 52 Cb 0.46 -1.89 -0.04 0.00 0.02 0.00 0.00 35.03 33.58 1ugj n LYS 52 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ugj s ALA 53 N -2.08 3.64 -0.06 3.14 0.00 -1.26 -4.99 121.76 120.15 1ugj s ALA 53 Ca 0.34 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.81 1ugj s ALA 53 Cb 0.27 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1ugj s ALA 53 CO 0.09 0.38 0.34 0.09 0.00 0.00 0.00 175.76 176.65 1ugj n ASN 54 N -0.58 0.68 -4.01 0.00 3.02 -1.26 -4.88 115.26 108.22 1ugj n ASN 54 Ca -0.01 -0.84 -0.32 0.00 -0.03 0.00 0.00 54.58 53.38 1ugj n ASN 54 Cb 0.53 0.37 -0.13 0.00 -0.61 0.00 0.00 39.78 39.94 1ugj n ASN 54 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1ugj s HIS 55 N -0.42 3.42 -0.21 3.10 2.46 -1.26 -2.71 115.29 119.66 1ugj s HIS 55 Ca 0.01 -2.98 -0.05 0.00 0.47 0.00 0.00 55.06 52.50 1ugj s HIS 55 Cb 0.01 -2.95 -0.02 0.00 -0.13 0.00 0.00 32.58 29.48 1ugj s HIS 55 CO 0.01 -0.84 -0.00 -0.06 -2.47 0.00 0.00 174.74 171.39 1ugj s PHE 56 N 0.20 3.02 0.37 3.88 0.08 -1.26 -0.32 117.98 123.95 1ugj s PHE 56 Ca 0.15 -0.60 0.07 0.00 0.12 0.00 0.00 56.93 56.67 1ugj s PHE 56 Cb -0.23 -2.11 -0.02 0.00 -0.57 0.00 0.00 43.02 40.09 1ugj s PHE 56 CO -0.03 -0.35 0.38 -0.51 -0.10 0.00 0.00 175.22 174.60 1ugj s LEU 57 N 1.25 3.59 -0.19 -0.37 1.02 0.12 -4.83 118.68 119.26 1ugj s LEU 57 Ca 0.03 -0.53 0.00 0.00 0.02 0.00 0.00 54.13 53.66 1ugj s LEU 57 Cb -0.15 -2.29 0.02 0.00 0.02 0.00 0.00 46.19 43.79 1ugj s LEU 57 CO 0.01 -0.51 -0.17 -0.63 0.02 0.00 0.00 176.35 175.06 1ugj s ILE 58 N -2.35 2.30 -0.47 -0.59 1.01 -1.26 -2.30 121.20 117.54 1ugj s ILE 58 Ca 0.46 -0.89 -0.24 0.00 0.00 0.00 0.00 60.65 59.97 1ugj s ILE 58 Cb -0.06 -2.00 0.03 0.00 0.01 0.00 0.00 42.46 40.44 1ugj s ILE 58 CO 0.28 0.50 0.88 -0.22 0.00 0.00 0.00 174.94 176.39 1ugj s LEU 59 N 1.32 4.10 0.46 2.97 2.96 -0.60 -2.69 118.68 127.20 1ugj s LEU 59 Ca 0.05 -0.04 -0.07 0.00 -0.22 0.00 0.00 54.13 53.85 1ugj s LEU 59 Cb -0.13 -3.06 -0.05 0.00 0.50 0.00 0.00 46.19 43.45 1ugj s LEU 59 CO -0.11 -1.04 0.78 -0.36 -1.32 0.00 0.00 176.35 174.31 1ugj s PHE 60 N 3.64 3.54 0.25 5.38 0.08 -1.22 0.48 117.98 130.13 1ugj s PHE 60 Ca 0.34 0.90 -0.04 0.00 0.12 0.00 0.00 56.93 58.25 1ugj s PHE 60 Cb -0.11 -2.36 0.28 0.00 -0.57 0.00 0.00 43.02 40.26 1ugj s PHE 60 CO 0.24 -0.23 1.77 -0.09 -0.10 0.00 0.00 175.22 176.81 1ugj h ARG 61 N 0.56 0.92 0.00 0.44 9.65 -1.87 -3.45 114.38 120.64 1ugj h ARG 61 Ca -0.47 -0.22 0.00 0.00 -1.10 0.00 0.00 59.98 58.19 1ugj h ARG 61 Cb 1.20 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 1ugj h ARG 61 CO 0.62 0.85 0.00 -0.40 2.80 0.00 0.00 179.97 183.85 1ugj n ASP 62 N -4.24 -0.51 0.00 -3.80 5.75 -1.26 -5.05 116.55 107.44 1ugj n ASP 62 Ca 0.04 0.19 0.00 0.00 -0.01 0.00 0.00 54.79 55.01 1ugj n ASP 62 Cb 0.26 0.70 0.00 0.00 -1.03 0.00 0.00 41.12 41.05 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 -2.48 0.00 -0.93 -1.12 2.88 -1.26 -4.94 113.62 105.77 1ugj n SER 63 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1ugj n SER 63 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1ugj n SER 63 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ugj n SER 64 N 0.00 -0.69 -3.75 -3.46 2.88 -1.26 -5.02 113.62 102.32 1ugj n SER 64 Ca 0.00 -1.37 -0.27 0.00 -1.33 0.00 0.00 58.87 55.90 1ugj n SER 64 Cb 0.00 0.22 0.01 0.00 -0.75 0.00 0.00 64.21 63.69 1ugj n SER 64 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ugj n GLN 66 N -3.23 0.62 -1.45 0.00 6.02 -1.26 -4.83 117.38 113.25 1ugj n GLN 66 Ca -0.21 -3.46 -0.53 0.00 -0.01 0.00 0.00 57.00 52.79 1ugj n GLN 66 Cb 0.63 -1.74 -0.05 0.00 1.02 0.00 0.00 30.24 30.10 1ugj n GLN 66 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1ugj n PHE 67 N 2.44 0.10 -0.01 1.08 -0.00 -1.24 -2.99 117.46 116.84 1ugj n PHE 67 Ca 0.27 0.99 -0.01 0.00 -0.00 0.00 0.00 57.45 58.70 1ugj n PHE 67 Cb 0.46 -2.04 -0.01 0.00 -0.00 0.00 0.00 39.48 37.90 1ugj n PHE 67 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1ugj n ARG 68 N 1.25 0.78 -3.64 -4.13 5.12 0.18 -4.86 116.66 111.35 1ugj n ARG 68 Ca 0.19 0.01 -0.04 0.00 -1.93 0.00 0.00 57.85 56.07 1ugj n ARG 68 Cb 0.18 -1.03 -0.07 0.00 -1.16 0.00 0.00 32.46 30.38 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 -2.03 -2.21 0.37 7.54 0.00 -1.19 -4.09 121.76 120.15 1ugj s ALA 69 Ca -0.02 1.85 -0.14 0.00 0.00 0.00 0.00 51.96 53.65 1ugj s ALA 69 Cb 0.00 -1.69 -0.08 0.00 0.00 0.00 0.00 23.12 21.35 1ugj s ALA 69 CO 0.04 -0.20 0.78 -1.17 0.00 0.00 0.00 175.76 175.21 1ugj s LEU 70 N 0.40 3.96 0.02 0.00 2.96 -1.24 -1.56 118.68 123.21 1ugj s LEU 70 Ca 0.02 1.30 -0.06 0.00 -0.22 0.00 0.00 54.13 55.17 1ugj s LEU 70 Cb -0.04 -4.14 -0.01 0.00 0.50 0.00 0.00 46.19 42.50 1ugj s LEU 70 CO -0.12 -0.30 0.11 -0.31 -1.32 0.00 0.00 176.35 174.41 1ugj s TYR 71 N -2.15 0.13 -0.14 5.38 1.51 -0.97 -2.74 117.35 118.36 1ugj s TYR 71 Ca 0.55 -0.33 -0.02 0.00 -1.01 0.00 0.00 57.07 56.25 1ugj s TYR 71 Cb -0.10 -0.10 -0.02 0.00 -0.11 0.00 0.00 41.96 41.63 1ugj s TYR 71 CO 0.22 -0.32 -0.07 0.95 -1.11 0.00 0.00 175.55 175.22 1ugj s THR 72 N -1.97 3.65 0.05 -0.71 -4.23 0.03 0.10 115.64 112.56 1ugj s THR 72 Ca -0.10 -0.45 -0.26 0.00 -1.18 0.00 0.00 61.69 59.70 1ugj s THR 72 Cb -0.05 -2.57 -0.05 0.00 1.34 0.00 0.00 72.50 71.17 1ugj s THR 72 CO -0.01 0.51 0.79 -0.22 -0.54 0.00 0.00 174.62 175.15 1ugj s LEU 73 N 0.25 4.45 -0.18 4.79 2.96 0.57 0.03 118.68 131.54 1ugj s LEU 73 Ca -0.05 1.48 -0.29 0.00 -0.22 0.00 0.00 54.13 55.06 1ugj s LEU 73 Cb -0.14 -3.27 0.00 0.00 0.50 0.00 0.00 46.19 43.27 1ugj s LEU 73 CO 0.04 -0.01 1.03 -0.44 -1.32 0.00 0.00 176.35 175.65 1ugj s SER 74 N 0.01 7.15 0.00 3.68 0.01 -0.40 -4.64 113.70 119.51 1ugj s SER 74 Ca 0.40 1.44 0.22 0.00 1.31 0.00 0.00 55.95 59.32 1ugj s SER 74 Cb -0.21 -2.55 1.15 0.00 0.21 0.00 0.00 66.02 64.63 1ugj s SER 74 CO 0.24 -0.59 1.72 0.61 0.41 0.00 0.00 173.24 175.62 1ugj n GLY 75 N 3.25 -0.97 0.08 3.44 0.00 -1.26 -2.51 105.19 107.22 1ugj n GLY 75 Ca 0.11 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1ugj n GLY 75 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1ugj h GLU 76 N 0.00 0.02 0.00 1.61 9.09 -1.95 -3.49 114.58 119.87 1ugj h GLU 76 Ca 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.38 1ugj h GLU 76 Cb 0.18 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 1ugj h GLU 76 CO 0.00 0.61 0.00 0.25 0.05 0.00 0.00 179.01 179.92 1ugj n THR 77 N -3.12 0.00 -0.07 -1.06 -2.24 -1.04 -5.06 114.28 101.68 1ugj n THR 77 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1ugj n THR 77 Cb 1.04 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 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 1.51 -1.99 -0.78 1.02 -1.26 -4.73 120.64 114.41 1ugj n GLU 78 Ca 0.00 -0.30 -0.30 0.00 -0.02 0.00 0.00 57.16 56.55 1ugj n GLU 78 Cb 0.00 -0.78 0.03 0.00 -0.02 0.00 0.00 31.44 30.68 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 -0.30 3.07 0.10 3.49 8.01 -1.26 -4.20 118.70 127.61 1ugj s GLU 79 Ca 0.00 0.45 0.01 0.00 0.01 0.00 0.00 54.97 55.43 1ugj s GLU 79 Cb 0.00 -2.09 0.01 0.00 -4.31 0.00 0.00 34.13 27.74 1ugj s GLU 79 CO 0.00 -0.84 0.07 1.28 0.01 0.00 0.00 175.26 175.78 1ugj n LEU 80 N -2.85 0.00 -3.73 1.80 4.77 0.14 -1.27 117.00 115.85 1ugj n LEU 80 Ca 0.06 -0.50 -0.12 0.00 -0.03 0.00 0.00 56.01 55.42 1ugj n LEU 80 Cb 0.56 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.54 1ugj n LEU 80 CO 0.57 -0.31 0.04 -0.55 -1.33 0.00 0.00 177.39 175.80 1ugj s SER 81 N -1.56 -0.43 -0.59 -1.43 0.15 0.10 -3.87 113.70 106.07 1ugj s SER 81 Ca 0.05 0.79 -0.27 0.00 0.70 0.00 0.00 55.95 57.23 1ugj s SER 81 Cb -0.00 0.75 -0.01 0.00 -1.71 0.00 0.00 66.02 65.04 1ugj s SER 81 CO 0.03 -0.16 1.69 -0.60 1.20 0.00 0.00 173.24 175.41 1ugj s ARG 82 N 0.70 2.90 -0.05 5.44 3.52 0.78 -0.79 118.95 131.45 1ugj s ARG 82 Ca -0.04 0.54 -0.15 0.00 -0.13 0.00 0.00 55.73 55.96 1ugj s ARG 82 Cb -0.05 -4.29 -0.09 0.00 -1.56 0.00 0.00 34.95 28.95 1ugj s ARG 82 CO -0.05 -2.41 0.59 1.25 -0.81 0.00 0.00 175.30 173.87 1ugj h LEU 83 N 15.05 -0.29 0.00 -0.88 5.85 -1.84 -3.48 115.31 129.72 1ugj h LEU 83 Ca -0.27 -0.12 -0.17 0.00 0.84 0.00 0.00 57.88 58.16 1ugj h LEU 83 Cb 1.13 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 1ugj h LEU 83 CO 1.20 0.20 -0.09 0.00 -0.34 0.00 0.00 178.44 179.41 1ugj n ALA 84 N -2.69 -0.19 0.00 1.25 0.00 -1.18 -5.06 120.51 112.63 1ugj n ALA 84 Ca -0.06 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.41 1ugj n ALA 84 Cb 0.20 0.78 0.00 0.00 0.00 0.00 0.00 19.45 20.43 1ugj n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ugj n GLY 85 N -0.34 -0.44 2.69 0.00 0.00 -1.26 -3.70 105.19 102.14 1ugj n GLY 85 Ca 0.00 -1.30 -0.21 0.00 0.00 0.00 0.00 46.02 44.51 1ugj n GLY 85 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ugj s TYR 86 N 0.00 0.24 -0.01 1.61 2.02 -1.26 -5.06 117.35 114.89 1ugj s TYR 86 Ca 0.00 0.08 0.00 0.00 -0.37 0.00 0.00 57.07 56.78 1ugj s TYR 86 Cb 0.00 -0.59 0.00 0.00 -0.40 0.00 0.00 41.96 40.97 1ugj s TYR 86 CO 0.00 -0.26 0.00 0.41 -1.57 0.00 0.00 175.55 174.13 1ugj n GLY 87 N 5.26 -0.65 3.70 0.71 0.00 -1.26 -4.78 105.19 108.16 1ugj n GLY 87 Ca -0.04 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1ugj n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugj s PRO 88 N -0.00 4.41 0.24 1.61 0.04 -1.26 -4.91 135.00 135.12 1ugj s PRO 88 Ca 0.00 1.71 -0.07 0.00 0.04 0.00 0.00 61.00 62.68 1ugj s PRO 88 Cb 0.00 -3.44 0.39 0.00 0.04 0.00 0.00 34.50 31.49 1ugj s PRO 88 CO 0.00 -0.32 1.36 -2.13 0.04 0.00 0.00 177.00 175.95 1ugj n ARG 89 N 4.44 -0.08 -4.44 4.56 0.63 -1.26 -4.45 116.66 116.05 1ugj n ARG 89 Ca 0.10 1.36 -0.21 0.00 -0.92 0.00 0.00 57.85 58.17 1ugj n ARG 89 Cb 0.47 -2.02 -0.11 0.00 0.45 0.00 0.00 32.46 31.25 1ugj n ARG 89 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1ugj s THR 90 N -6.08 1.28 -0.08 5.15 2.01 -1.26 -0.16 115.64 116.50 1ugj s THR 90 Ca -0.13 -2.03 -0.03 0.00 0.31 0.00 0.00 61.69 59.81 1ugj s THR 90 Cb 0.23 -2.69 0.05 0.00 0.01 0.00 0.00 72.50 70.10 1ugj s THR 90 CO 0.68 -0.09 0.17 -0.69 -0.69 0.00 0.00 174.62 174.00 1ugj s VAL 91 N -3.24 -0.18 0.42 3.82 1.01 -1.25 -4.94 120.40 116.04 1ugj s VAL 91 Ca 0.34 0.27 -0.00 0.00 0.00 0.00 0.00 61.98 62.59 1ugj s VAL 91 Cb 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 36.14 1ugj s VAL 91 CO 0.14 0.11 0.65 0.42 0.00 0.00 0.00 175.10 176.42 1ugj s THR 92 N 1.83 4.51 -1.28 3.92 -4.23 -1.26 0.23 115.64 119.36 1ugj s THR 92 Ca -0.02 -0.39 0.22 0.00 -1.18 0.00 0.00 61.69 60.32 1ugj s THR 92 Cb -0.12 -3.67 0.32 0.00 1.34 0.00 0.00 72.50 70.38 1ugj s THR 92 CO -0.06 -0.48 1.72 -0.81 -0.54 0.00 0.00 174.62 174.45 1ugj n PRO 93 N -2.01 0.21 0.08 3.99 -0.04 -1.26 -2.26 135.00 133.71 1ugj n PRO 93 Ca -0.01 0.09 0.04 0.00 -0.04 0.00 0.00 63.50 63.58 1ugj n PRO 93 Cb 0.57 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 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 2.96 0.64 0.00 0.55 0.00 -1.93 -3.28 119.26 118.19 1ugj h ALA 94 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1ugj h ALA 94 Cb 0.27 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ugj h ALA 94 CO 0.00 0.56 -0.65 -1.33 0.00 0.00 0.00 179.25 177.83 1ugj n MET 95 N -2.90 0.22 -2.23 0.00 2.81 -0.96 -4.85 117.12 109.20 1ugj n MET 95 Ca -0.04 0.05 -0.42 0.00 -1.81 0.00 0.00 57.70 55.48 1ugj n MET 95 Cb 0.72 -1.63 -0.03 0.00 -0.71 0.00 0.00 33.22 31.58 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 -3.13 3.77 -0.11 2.03 0.11 -1.15 0.20 120.40 122.11 1ugj s VAL 96 Ca 0.07 1.12 -0.03 0.00 -2.93 0.00 0.00 61.98 60.21 1ugj s VAL 96 Cb 0.15 -3.72 -0.01 0.00 -1.53 0.00 0.00 36.38 31.26 1ugj s VAL 96 CO 0.73 -0.02 -0.04 -0.08 -3.33 0.00 0.00 175.10 172.36 1ugj h GLU 97 N 7.96 0.00 -4.12 1.54 4.81 0.15 -3.45 114.58 121.47 1ugj h GLU 97 Ca -0.37 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.59 1ugj h GLU 97 Cb 1.17 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 30.29 1ugj h GLU 97 CO 0.91 0.02 -0.73 0.20 -0.73 0.00 0.00 179.01 178.67 1ugj s GLY 98 N -3.75 0.21 0.13 1.92 0.00 -1.07 -4.98 107.32 99.78 1ugj s GLY 98 Ca -0.04 -0.28 0.08 0.00 0.00 0.00 0.00 44.72 44.47 1ugj s GLY 98 CO 0.07 -0.28 -0.10 -0.26 0.00 0.00 0.00 173.10 172.52 1ugj s ILE 99 N -0.44 3.28 0.08 0.90 -4.36 -1.26 -1.08 121.20 118.31 1ugj s ILE 99 Ca -0.03 -1.42 -0.07 0.00 -0.26 0.00 0.00 60.65 58.87 1ugj s ILE 99 Cb -0.04 -2.56 -0.01 0.00 1.25 0.00 0.00 42.46 41.10 1ugj s ILE 99 CO -0.00 0.03 0.15 -0.31 0.24 0.00 0.00 174.94 175.05 1ugj s TYR 100 N -1.38 0.23 0.37 1.37 1.51 0.22 -1.80 117.35 117.87 1ugj s TYR 100 Ca 0.22 -0.68 0.03 0.00 -1.01 0.00 0.00 57.07 55.63 1ugj s TYR 100 Cb -0.10 -0.12 0.03 0.00 -0.11 0.00 0.00 41.96 41.66 1ugj s TYR 100 CO 0.14 -0.52 0.28 0.36 -1.11 0.00 0.00 175.55 174.70 1ugj n LYS 101 N -0.03 0.94 -3.74 -0.62 2.85 0.34 0.13 118.16 118.02 1ugj n LYS 101 Ca -0.15 -2.31 -0.27 0.00 -1.05 0.00 0.00 58.31 54.54 1ugj n LYS 101 Cb 0.62 0.24 -0.17 0.00 -0.65 0.00 0.00 35.03 35.07 1ugj n LYS 101 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 1ugj s TYR 102 N -1.82 0.99 -0.70 5.58 6.14 -1.26 -2.94 117.35 123.34 1ugj s TYR 102 Ca 0.21 -0.76 -0.27 0.00 0.64 0.00 0.00 57.07 56.89 1ugj s TYR 102 Cb -0.02 -1.00 0.03 0.00 0.42 0.00 0.00 41.96 41.39 1ugj s TYR 102 CO 0.14 -0.57 1.28 -0.80 0.64 0.00 0.00 175.55 176.24 1ugj s ASN 103 N 1.87 6.20 0.00 4.32 0.01 0.39 -4.81 114.94 122.91 1ugj s ASN 103 Ca -0.00 -0.28 0.22 0.00 -0.71 0.00 0.00 52.86 52.08 1ugj s ASN 103 Cb -0.16 -2.56 1.29 0.00 0.41 0.00 0.00 41.25 40.23 1ugj s ASN 103 CO -0.08 -1.77 1.83 -1.20 -1.51 0.00 0.00 177.10 174.37 1ugj n SER 104 N 9.28 0.06 -0.06 -1.22 7.64 -1.26 0.03 113.62 128.10 1ugj n SER 104 Ca 0.05 -1.33 -0.09 0.00 1.01 0.00 0.00 58.87 58.52 1ugj n SER 104 Cb 0.49 -0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.63 1ugj n SER 104 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ugj n ASP 105 N -0.80 2.94 -0.42 6.43 9.92 -1.26 -4.56 116.55 128.80 1ugj n ASP 105 Ca 0.16 -0.05 0.12 0.00 -0.53 0.00 0.00 54.79 54.50 1ugj n ASP 105 Cb 0.09 -0.20 0.22 0.00 -0.64 0.00 0.00 41.12 40.58 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 -2.89 1.16 -3.90 -1.24 5.12 -1.21 -4.95 116.66 108.75 1ugj n ARG 106 Ca -0.21 -0.84 -0.26 0.00 -1.93 0.00 0.00 57.85 54.60 1ugj n ARG 106 Cb 0.72 -1.48 0.01 0.00 -1.16 0.00 0.00 32.46 30.54 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 -0.19 -4.27 -4.16 5.56 5.02 0.11 -4.95 118.16 115.28 1ugj n LYS 107 Ca 0.12 0.51 -0.12 0.00 -2.02 0.00 0.00 58.31 56.79 1ugj n LYS 107 Cb 0.42 -5.01 -0.08 0.00 -0.02 0.00 0.00 35.03 30.33 1ugj n LYS 107 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1ugj s ARG 108 N -6.43 1.38 -0.08 1.97 1.04 -1.05 -5.00 118.95 110.78 1ugj s ARG 108 Ca 0.24 -1.61 0.00 0.00 -1.04 0.00 0.00 55.73 53.32 1ugj s ARG 108 Cb -0.12 0.33 -0.03 0.00 -2.04 0.00 0.00 34.95 33.09 1ugj s ARG 108 CO 0.86 -0.50 -0.06 -0.06 -0.04 0.00 0.00 175.30 175.49 1ugj s PHE 109 N -3.97 2.95 0.16 5.89 0.08 -1.26 -0.46 117.98 121.37 1ugj s PHE 109 Ca 0.35 -0.03 0.06 0.00 0.12 0.00 0.00 56.93 57.43 1ugj s PHE 109 Cb 0.04 -1.75 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 1ugj s PHE 109 CO 0.14 0.27 -0.13 0.99 -0.10 0.00 0.00 175.22 176.39 1ugj s THR 110 N -0.63 1.42 0.34 0.64 2.01 -1.15 -4.97 115.64 113.29 1ugj s THR 110 Ca 0.10 -2.03 -0.00 0.00 0.31 0.00 0.00 61.69 60.06 1ugj s THR 110 Cb -0.12 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 1ugj s THR 110 CO 0.02 -0.61 0.55 -1.58 -0.69 0.00 0.00 174.62 172.30 1ugj s GLN 111 N -3.45 3.50 -0.08 4.92 0.74 -1.26 0.13 119.66 124.16 1ugj s GLN 111 Ca 0.17 -0.29 -0.05 0.00 0.05 0.00 0.00 55.36 55.24 1ugj s GLN 111 Cb -0.00 -2.66 -0.04 0.00 1.10 0.00 0.00 33.01 31.40 1ugj s GLN 111 CO 0.03 0.16 0.13 0.42 -0.55 0.00 0.00 175.29 175.48 1ugj s ILE 112 N -2.28 5.29 -1.44 -2.34 -1.09 -0.74 -4.69 121.20 113.91 1ugj s ILE 112 Ca 0.40 0.03 0.23 0.00 -2.23 0.00 0.00 60.65 59.08 1ugj s ILE 112 Cb -0.10 -3.34 0.40 0.00 -1.58 0.00 0.00 42.46 37.84 1ugj s ILE 112 CO 0.35 0.53 1.74 -0.81 -1.23 0.00 0.00 174.94 175.53 1ugj n PRO 113 N 1.71 0.33 -4.20 2.79 -0.04 -1.26 -4.74 135.00 129.59 1ugj n PRO 113 Ca -0.17 0.07 -0.26 0.00 -0.04 0.00 0.00 63.50 63.09 1ugj n PRO 113 Cb 0.54 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.56 3.24 -1.91 0.55 0.00 -1.26 -5.01 121.76 114.81 1ugj s ALA 114 Ca 0.22 -1.37 0.19 0.00 0.00 0.00 0.00 51.96 51.00 1ugj s ALA 114 Cb 0.15 -1.02 0.38 0.00 0.00 0.00 0.00 23.12 22.63 1ugj s ALA 114 CO 0.34 0.47 1.30 1.63 0.00 0.00 0.00 175.76 179.51 1ugj n LYS 115 N -0.18 2.33 -3.85 0.00 4.01 -1.26 -4.63 118.16 114.57 1ugj n LYS 115 Ca -0.09 -2.12 -0.23 0.00 -0.51 0.00 0.00 58.31 55.36 1ugj n LYS 115 Cb 0.55 -1.42 -0.05 0.00 -0.51 0.00 0.00 35.03 33.60 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 2.45 1.14 -0.18 2.01 -1.26 -4.92 115.64 113.63 1ugj s THR 116 Ca 0.33 -1.52 -0.13 0.00 0.31 0.00 0.00 61.69 60.68 1ugj s THR 116 Cb 0.19 -2.97 0.27 0.00 0.01 0.00 0.00 72.50 70.00 1ugj s THR 116 CO 0.26 0.00 1.04 -0.04 -0.69 0.00 0.00 174.62 175.19 1ugj s MET 117 N -4.03 -0.68 0.00 4.92 -1.94 -1.26 -4.99 119.30 111.32 1ugj s MET 117 Ca 0.44 0.66 0.00 0.00 -1.71 0.00 0.00 55.69 55.08 1ugj s MET 117 Cb 0.00 -1.59 0.00 0.00 2.01 0.00 0.00 34.83 35.25 1ugj s MET 117 CO 0.25 -3.52 0.00 0.45 -0.01 0.00 0.00 175.02 172.19 1ugj n SER 118 N -4.75 0.00 0.04 3.03 2.88 -1.26 -4.97 113.62 108.59 1ugj n SER 118 Ca 0.04 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.62 1ugj n SER 118 Cb 0.56 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 64.23 1ugj n SER 118 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1ugj n MET 119 N -0.52 0.04 -0.82 -1.46 0.00 -1.26 -1.57 117.12 111.52 1ugj n MET 119 Ca 0.00 0.46 -0.16 0.00 -0.00 0.00 0.00 57.70 58.00 1ugj n MET 119 Cb 0.00 -1.62 0.12 0.00 0.00 0.00 0.00 33.22 31.72 1ugj n MET 119 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1ugj n SER 120 N -1.70 3.68 -4.15 6.12 7.64 -1.26 -4.85 113.62 119.11 1ugj n SER 120 Ca 0.01 -3.08 -0.26 0.00 1.01 0.00 0.00 58.87 56.55 1ugj n SER 120 Cb 0.06 -0.74 -0.16 0.00 -1.01 0.00 0.00 64.21 62.36 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 -2.23 1.42 -0.01 0.44 1.01 -0.61 -4.17 120.40 116.25 1ugj s VAL 121 Ca 0.38 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1ugj s VAL 121 Cb 0.32 -1.21 0.03 0.00 0.00 0.00 0.00 36.38 35.52 1ugj s VAL 121 CO 0.07 0.41 0.92 0.47 0.00 0.00 0.00 175.10 176.97 1ugj n ASP 122 N 2.97 0.33 -3.64 3.32 9.92 0.35 -4.89 116.55 124.90 1ugj n ASP 122 Ca -0.17 -1.93 -0.05 0.00 -0.53 0.00 0.00 54.79 52.12 1ugj n ASP 122 Cb 0.53 -0.18 -0.07 0.00 -0.64 0.00 0.00 41.12 40.76 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 -0.35 -2.14 0.05 2.24 0.00 -0.51 -4.08 121.76 116.97 1ugj s ALA 123 Ca 0.04 1.75 -0.17 0.00 0.00 0.00 0.00 51.96 53.57 1ugj s ALA 123 Cb 0.03 -1.63 0.03 0.00 0.00 0.00 0.00 23.12 21.55 1ugj s ALA 123 CO 0.00 -0.15 0.38 -0.59 0.00 0.00 0.00 175.76 175.40 1ugj s PHE 124 N -0.03 -0.22 -0.19 0.00 -0.71 -1.09 0.68 117.98 116.42 1ugj s PHE 124 Ca 0.06 0.13 -0.02 0.00 -1.04 0.00 0.00 56.93 56.07 1ugj s PHE 124 Cb -0.05 0.19 0.05 0.00 -1.21 0.00 0.00 43.02 42.01 1ugj s PHE 124 CO -0.12 -0.56 0.00 0.95 -1.34 0.00 0.00 175.22 174.15 1ugj s THR 125 N -2.60 0.80 1.25 -4.49 -4.23 -0.24 -3.37 115.64 102.75 1ugj s THR 125 Ca -0.04 -0.65 -0.15 0.00 -1.18 0.00 0.00 61.69 59.66 1ugj s THR 125 Cb -0.01 -1.19 0.32 0.00 1.34 0.00 0.00 72.50 72.97 1ugj s THR 125 CO -0.03 -0.10 0.99 0.27 -0.54 0.00 0.00 174.62 175.21 1ugj s ILE 126 N 1.74 1.82 1.10 2.99 -4.36 -1.26 0.17 121.20 123.40 1ugj s ILE 126 Ca -0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 60.65 60.22 1ugj s ILE 126 Cb -0.17 -2.04 0.25 0.00 1.25 0.00 0.00 42.46 41.75 1ugj s ILE 126 CO -0.07 0.00 0.55 0.00 0.24 0.00 0.00 174.94 175.66 1ugj n GLN 127 N -5.18 -2.52 -0.11 0.37 6.02 0.53 -4.20 117.38 112.28 1ugj n GLN 127 Ca 0.04 -0.93 -0.12 0.00 -0.01 0.00 0.00 57.00 55.98 1ugj n GLN 127 Cb 0.56 -1.53 -0.15 0.00 1.02 0.00 0.00 30.24 30.14 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 -2.75 -0.81 0.21 1.08 0.00 -1.26 -4.19 105.19 97.47 1ugj n GLY 128 Ca 0.09 -0.29 0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.00 0.48 1.61 2.07 -1.96 -2.73 115.15 114.62 1ugj h HIS 129 Ca -0.56 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 56.94 1ugj h HIS 129 Cb 2.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.13 1ugj h HIS 129 CO 0.01 0.00 -0.23 -0.07 -3.07 0.00 0.00 177.93 174.57 1ugj h LEU 130 N 0.00 -0.54 -0.55 6.12 4.07 -1.81 -2.66 115.31 119.94 1ugj h LEU 130 Ca 0.00 -0.04 -0.00 0.00 0.08 0.00 0.00 57.88 57.92 1ugj h LEU 130 Cb 0.26 0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.11 1ugj h LEU 130 CO 0.00 -0.29 0.34 -0.50 -1.08 0.00 0.00 178.44 176.91 1ugj h TRP 131 N -0.77 0.71 -0.23 1.13 4.06 -1.72 -3.07 115.95 116.06 1ugj h TRP 131 Ca -0.07 0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.91 1ugj h TRP 131 Cb 0.55 -0.24 -0.03 0.00 -1.00 0.00 0.00 29.16 28.45 1ugj h TRP 131 CO -0.02 0.48 -0.14 1.04 -3.56 0.00 0.00 178.44 176.25 1ugj n GLN 132 N -4.67 -0.10 0.00 0.49 1.13 -1.06 -4.83 117.38 108.34 1ugj n GLN 132 Ca 0.03 1.00 0.00 0.00 -1.94 0.00 0.00 57.00 56.09 1ugj n GLN 132 Cb 0.04 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.90 1ugj n GLN 132 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1ugj n SER 133 N -3.46 0.00 -4.38 1.08 7.64 -1.02 -5.11 113.62 108.36 1ugj n SER 133 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 1ugj n SER 133 Cb 0.06 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.29 1ugj n SER 133 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1ugj n LYS 134 N 0.00 0.30 -1.35 1.43 3.00 -1.11 -4.75 118.16 115.68 1ugj n LYS 134 Ca 0.00 0.12 -0.44 0.00 -0.00 0.00 0.00 58.31 58.00 1ugj n LYS 134 Cb 0.00 -1.44 -0.01 0.00 0.00 0.00 0.00 35.03 33.58 1ugj n LYS 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1ugj n LYS 135 N 0.51 0.11 -2.57 1.64 4.01 -1.26 -4.59 118.16 116.01 1ugj n LYS 135 Ca 0.10 0.04 -0.16 0.00 -0.51 0.00 0.00 58.31 57.78 1ugj n LYS 135 Cb 0.48 -1.09 0.02 0.00 -0.51 0.00 0.00 35.03 33.92 1ugj n LYS 135 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1ugj n SER 136 N 2.07 2.90 0.00 4.39 3.41 -1.26 -4.76 113.62 120.36 1ugj n SER 136 Ca 0.13 -3.09 0.00 0.00 -0.26 0.00 0.00 58.87 55.65 1ugj n SER 136 Cb 0.36 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1ugj n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ugj n GLY 137 N -0.31 -2.08 0.87 5.00 0.00 -1.26 -4.90 105.19 102.51 1ugj n GLY 137 Ca 0.22 1.00 -0.07 0.00 0.00 0.00 0.00 46.02 47.17 1ugj n GLY 137 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ugj n PRO 138 N 0.00 -0.90 -3.07 1.61 -0.04 -1.26 -5.09 135.00 126.25 1ugj n PRO 138 Ca 0.00 -0.45 0.02 0.00 -0.04 0.00 0.00 63.50 63.02 1ugj n PRO 138 Cb 0.00 -0.36 -0.00 0.00 -0.04 0.00 0.00 33.50 33.10 1ugj n PRO 138 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ugj s SER 139 N -2.18 -1.13 -0.12 3.54 0.01 -1.26 -5.04 113.70 107.52 1ugj s SER 139 Ca 0.17 -0.51 -0.10 0.00 1.31 0.00 0.00 55.95 56.83 1ugj s SER 139 Cb -0.01 1.47 -0.05 0.00 0.21 0.00 0.00 66.02 67.64 1ugj s SER 139 CO 0.13 -0.13 -0.21 -0.24 0.41 0.00 0.00 173.24 173.19 1ugj n SER 140 N 4.27 1.41 0.00 2.44 2.88 -1.26 -5.35 113.62 118.01 1ugj n SER 140 Ca 0.09 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1ugj n SER 140 Cb 0.59 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1ugj n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42