#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 0.00 -3.59 1.61 3.41 -1.26 -5.19 113.62 108.60 1ugj n SER 2 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 1ugj n SER 2 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ugj n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ugj s SER 3 N 0.00 -0.03 0.11 4.04 0.01 -1.26 -5.19 113.70 111.38 1ugj s SER 3 Ca 0.00 -0.05 -0.25 0.00 1.31 0.00 0.00 55.95 56.97 1ugj s SER 3 Cb 0.00 0.06 0.08 0.00 0.21 0.00 0.00 66.02 66.38 1ugj s SER 3 CO 0.00 -0.11 1.11 -0.83 0.41 0.00 0.00 173.24 173.82 1ugj s GLY 4 N -2.84 -0.06 0.00 3.44 0.00 -1.26 -5.18 107.32 101.42 1ugj s GLY 4 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.81 1ugj s GLY 4 CO -0.05 2.44 0.00 1.44 0.00 0.00 0.00 173.10 176.93 1ugj n SER 5 N -0.98 0.00 0.00 1.64 7.64 -1.26 -5.19 113.62 115.47 1ugj n SER 5 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1ugj n SER 5 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1ugj n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ugj n SER 6 N 0.00 0.00 -4.47 6.43 2.88 -1.26 -5.09 113.62 112.12 1ugj n SER 6 Ca 0.00 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.10 1ugj n SER 6 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1ugj n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugj n GLY 7 N -0.04 -0.31 3.55 0.46 0.00 -1.26 -4.78 105.19 102.82 1ugj n GLY 7 Ca 0.00 1.08 -0.37 0.00 0.00 0.00 0.00 46.02 46.73 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 8.33 3.00 0.19 1.61 0.04 -1.26 -4.57 135.00 142.33 1ugj s PRO 8 Ca 1.28 -0.25 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1ugj s PRO 8 Cb -1.14 -4.73 0.00 0.00 0.04 0.00 0.00 34.50 28.67 1ugj s PRO 8 CO 0.49 -2.60 0.00 0.54 0.04 0.00 0.00 177.00 175.47 1ugj n ARG 9 N 9.09 -5.11 -3.77 4.56 1.74 -1.26 -5.05 116.66 116.86 1ugj n ARG 9 Ca 0.23 3.66 -0.15 0.00 -0.77 0.00 0.00 57.85 60.83 1ugj n ARG 9 Cb 0.50 -3.90 -0.16 0.00 -1.02 0.00 0.00 32.46 27.88 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 -0.47 1.05 -0.29 0.55 1.43 -1.26 -5.12 118.68 114.57 1ugj s LEU 10 Ca 0.00 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 1ugj s LEU 10 Cb 0.00 -0.02 0.18 0.00 0.03 0.00 0.00 46.19 46.38 1ugj s LEU 10 CO 0.00 -0.13 0.54 -0.47 0.23 0.00 0.00 176.35 176.52 1ugj s TYR 11 N 1.06 -1.51 -0.29 0.29 5.04 -1.26 -5.14 117.35 115.54 1ugj s TYR 11 Ca -0.09 1.23 -0.18 0.00 -2.44 0.00 0.00 57.07 55.60 1ugj s TYR 11 Cb -0.13 0.33 0.18 0.00 0.35 0.00 0.00 41.96 42.70 1ugj s TYR 11 CO -0.03 -0.94 1.19 -1.59 -1.34 0.00 0.00 175.55 172.84 1ugj s LYS 12 N 2.77 0.17 0.60 4.97 -2.85 -1.26 -5.15 119.74 118.99 1ugj s LYS 12 Ca 0.15 0.28 -0.17 0.00 -1.00 0.00 0.00 55.97 55.23 1ugj s LYS 12 Cb -0.13 0.05 -0.14 0.00 -2.06 0.00 0.00 37.83 35.54 1ugj s LYS 12 CO -0.23 -0.03 -0.29 0.39 0.10 0.00 0.00 175.35 175.29 1ugj n GLU 13 N 3.02 0.00 -1.52 1.78 1.02 -1.26 -4.93 120.64 118.76 1ugj n GLU 13 Ca -0.16 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.68 1ugj n GLU 13 Cb 0.57 -0.96 0.19 0.00 -0.02 0.00 0.00 31.44 31.22 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 -1.21 0.10 -0.31 3.49 0.04 -1.26 -5.07 135.00 130.79 1ugj s PRO 14 Ca 0.51 -0.10 -0.12 0.00 0.04 0.00 0.00 61.00 61.33 1ugj s PRO 14 Cb -0.40 -1.75 0.20 0.00 0.04 0.00 0.00 34.50 32.59 1ugj s PRO 14 CO 0.68 -2.82 1.15 0.45 0.04 0.00 0.00 177.00 176.50 1ugj s SER 15 N -4.30 -0.06 0.54 6.66 0.15 -1.26 -5.15 113.70 110.29 1ugj s SER 15 Ca 0.70 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.31 1ugj s SER 15 Cb -0.09 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 1ugj s SER 15 CO 0.54 -0.00 0.00 0.00 1.20 0.00 0.00 173.24 174.98 1ugj n ALA 16 N 3.10 -3.77 -3.18 5.45 0.00 -1.26 -4.99 120.51 115.87 1ugj n ALA 16 Ca 0.07 0.80 0.05 0.00 0.00 0.00 0.00 53.44 54.36 1ugj n ALA 16 Cb 0.65 -1.50 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 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 -3.83 0.14 0.56 0.00 2.47 -1.26 -5.09 119.74 112.72 1ugj s LYS 17 Ca 0.00 0.27 0.00 0.00 -1.56 0.00 0.00 55.97 54.68 1ugj s LYS 17 Cb 0.00 0.15 0.00 0.00 -1.46 0.00 0.00 37.83 36.52 1ugj s LYS 17 CO 0.00 -0.12 0.00 0.45 0.16 0.00 0.00 175.35 175.84 1ugj n SER 18 N 5.31 -8.17 -1.35 1.43 2.88 -1.26 -4.94 113.62 107.51 1ugj n SER 18 Ca -0.08 1.75 0.00 0.00 -1.33 0.00 0.00 58.87 59.21 1ugj n SER 18 Cb 0.54 -4.83 -0.01 0.00 -0.75 0.00 0.00 64.21 59.16 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 -2.40 0.35 0.01 -3.46 6.94 -1.17 -4.91 115.26 110.63 1ugj n ASN 19 Ca 0.00 -2.00 -0.12 0.00 -0.02 0.00 0.00 54.58 52.44 1ugj n ASN 19 Cb 0.42 -0.11 -0.07 0.00 -2.36 0.00 0.00 39.78 37.66 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 0.69 0.05 0.00 -3.83 3.64 -1.92 -2.07 116.57 113.12 1ugj h LYS 20 Ca -0.34 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.02 1ugj h LYS 20 Cb 1.74 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.55 1ugj h LYS 20 CO -0.03 0.21 -0.05 0.74 -2.27 0.00 0.00 179.45 178.06 1ugj h PHE 21 N -0.12 0.00 0.00 1.91 -1.00 -1.95 0.11 116.94 115.90 1ugj h PHE 21 Ca 0.01 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.70 1ugj h PHE 21 Cb 0.18 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 1ugj h PHE 21 CO -0.02 0.05 -0.44 0.82 -1.61 0.00 0.00 178.31 177.11 1ugj h ILE 22 N 0.00 1.02 0.07 -0.55 2.04 -1.78 -3.08 117.51 115.22 1ugj h ILE 22 Ca -0.00 -1.69 -0.17 0.00 1.00 0.00 0.00 64.86 64.00 1ugj h ILE 22 Cb 0.10 2.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1ugj h ILE 22 CO 0.01 0.43 -0.84 0.40 0.00 0.00 0.00 178.15 178.14 1ugj h ILE 23 N 0.00 1.34 -0.66 -0.67 1.08 -0.24 -2.63 117.51 115.73 1ugj h ILE 23 Ca -0.00 -2.38 0.19 0.00 -0.39 0.00 0.00 64.86 62.28 1ugj h ILE 23 Cb 0.96 2.93 -0.03 0.00 -3.07 0.00 0.00 36.82 37.62 1ugj h ILE 23 CO 0.06 0.61 0.78 0.45 -0.69 0.00 0.00 178.15 179.36 1ugj h HIS 24 N -0.65 0.00 0.12 1.37 3.86 -0.92 0.99 115.15 119.92 1ugj h HIS 24 Ca -0.19 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.65 1ugj h HIS 24 Cb 1.43 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.88 1ugj h HIS 24 CO 0.18 0.00 -2.03 0.09 0.86 0.00 0.00 177.93 177.03 1ugj n ASN 25 N -3.45 2.11 -0.09 2.45 3.02 -1.17 -3.32 115.26 114.80 1ugj n ASN 25 Ca 0.14 0.18 0.14 0.00 -0.03 0.00 0.00 54.58 55.01 1ugj n ASN 25 Cb 1.01 -0.82 0.53 0.00 -0.61 0.00 0.00 39.78 39.88 1ugj n ASN 25 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ugj h ALA 26 N 0.07 2.10 -0.00 5.41 0.00 0.13 1.44 119.26 128.41 1ugj h ALA 26 Ca -0.44 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ugj h ALA 26 Cb 2.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1ugj h ALA 26 CO 0.08 -0.26 -0.00 -0.07 0.00 0.00 0.00 179.25 179.00 1ugj h LEU 27 N 0.35 0.00 0.00 0.00 3.38 -0.90 -1.97 115.31 116.18 1ugj h LEU 27 Ca 0.30 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1ugj h LEU 27 Cb 0.68 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1ugj h LEU 27 CO -0.08 0.64 0.00 -1.20 0.09 0.00 0.00 178.44 177.89 1ugj n SER 28 N -4.78 0.00 -0.04 -0.43 7.64 -0.47 -0.09 113.62 115.45 1ugj n SER 28 Ca -0.09 -0.74 -0.19 0.00 1.01 0.00 0.00 58.87 58.86 1ugj n SER 28 Cb 0.32 -0.03 -0.13 0.00 -1.01 0.00 0.00 64.21 63.36 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 0.21 0.00 1.43 3.86 0.21 -3.44 115.15 117.42 1ugj h HIS 29 Ca 0.00 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1ugj h HIS 29 Cb 0.02 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1ugj h HIS 29 CO 0.00 1.37 0.00 0.00 0.86 0.00 0.00 177.93 180.16 1ugj n LEU 32 N -5.30 -0.18 -4.48 0.00 4.77 0.72 -4.27 117.00 108.26 1ugj n LEU 32 Ca 0.35 -3.37 -0.34 0.00 -0.03 0.00 0.00 56.01 52.62 1ugj n LEU 32 Cb 1.18 0.24 -0.12 0.00 -2.33 0.00 0.00 43.42 42.39 1ugj n LEU 32 CO -0.01 1.58 -0.35 0.00 -1.33 0.00 0.00 177.39 177.28 1ugj s ALA 33 N -1.55 2.99 0.00 -1.18 0.00 0.88 -4.41 121.76 118.49 1ugj s ALA 33 Ca 0.21 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1ugj s ALA 33 Cb 0.41 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.93 1ugj s ALA 33 CO -0.06 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.23 1ugj n GLY 34 N 3.73 0.15 0.11 0.00 0.00 -1.26 -4.76 105.19 103.15 1ugj n GLY 34 Ca -0.17 -1.73 -0.21 0.00 0.00 0.00 0.00 46.02 43.91 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 5.17 0.07 -0.67 1.61 3.64 -1.98 -3.24 116.57 121.17 1ugj h LYS 35 Ca 0.00 -0.12 0.14 0.00 -1.27 0.00 0.00 60.65 59.40 1ugj h LYS 35 Cb 0.00 0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 31.77 1ugj h LYS 35 CO 0.00 1.06 0.14 -0.24 -2.27 0.00 0.00 179.45 178.13 1ugj h VAL 36 N -0.77 0.56 -0.61 2.00 3.04 -2.00 0.69 116.25 119.16 1ugj h VAL 36 Ca -0.30 -0.08 -0.36 0.00 -1.01 0.00 0.00 66.70 64.95 1ugj h VAL 36 Cb 1.42 0.29 -0.19 0.00 -2.01 0.00 0.00 31.29 30.80 1ugj h VAL 36 CO -0.10 0.05 0.46 0.59 -1.01 0.00 0.00 177.57 177.55 1ugj n ASN 37 N -5.16 4.75 0.11 3.17 3.02 -1.26 -4.21 115.26 115.67 1ugj n ASN 37 Ca 0.11 -3.09 -0.23 0.00 -0.03 0.00 0.00 54.58 51.34 1ugj n ASN 37 Cb 0.39 -0.84 -0.15 0.00 -0.61 0.00 0.00 39.78 38.57 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 1.00 0.45 -0.05 3.52 4.81 0.39 -1.23 114.58 123.46 1ugj h GLU 38 Ca 0.39 -0.76 -0.24 0.00 -0.13 0.00 0.00 59.36 58.61 1ugj h GLU 38 Cb 1.66 0.28 0.02 0.00 0.63 0.00 0.00 28.75 31.34 1ugj h GLU 38 CO 0.80 1.36 -0.92 -1.00 -0.73 0.00 0.00 179.01 178.52 1ugj h PRO 39 N -0.06 0.72 0.30 0.92 0.13 -1.74 -3.15 132.00 129.12 1ugj h PRO 39 Ca -0.21 -0.70 -0.01 0.00 -0.87 0.00 0.00 66.00 64.21 1ugj h PRO 39 Cb 1.95 0.18 0.00 0.00 0.13 0.00 0.00 31.00 33.27 1ugj h PRO 39 CO 0.23 1.29 -0.15 0.37 -0.23 0.00 0.00 178.00 179.51 1ugj h GLN 40 N 0.41 -0.39 -0.90 0.86 4.15 -1.82 -2.79 115.11 114.63 1ugj h GLN 40 Ca -0.10 0.03 0.18 0.00 0.77 0.00 0.00 58.65 59.53 1ugj h GLN 40 Cb 1.57 0.09 -0.17 0.00 0.21 0.00 0.00 27.48 29.18 1ugj h GLN 40 CO 0.18 -0.07 -0.21 1.17 -1.93 0.00 0.00 178.83 177.98 1ugj n LYS 41 N -5.07 -0.08 -0.08 1.69 4.81 -0.47 0.23 118.16 119.20 1ugj n LYS 41 Ca -0.08 1.40 -0.08 0.00 -0.87 0.00 0.00 58.31 58.68 1ugj n LYS 41 Cb 0.26 -2.09 -0.01 0.00 0.02 0.00 0.00 35.03 33.21 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 0.14 -0.85 3.14 2.35 -1.56 0.50 115.58 119.30 1ugj h ASN 42 Ca 0.44 0.02 0.14 0.00 -0.55 0.00 0.00 56.30 56.35 1ugj h ASN 42 Cb 0.68 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.99 1ugj h ASN 42 CO -0.92 0.12 0.55 0.03 -1.65 0.00 0.00 177.43 175.56 1ugj h ARG 43 N 0.25 0.60 -0.01 0.81 2.47 0.32 0.34 114.38 119.16 1ugj h ARG 43 Ca 0.12 -0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.75 1ugj h ARG 43 Cb 0.08 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 1ugj h ARG 43 CO -0.12 0.40 -0.22 0.82 0.56 0.00 0.00 179.97 181.41 1ugj h ILE 44 N 0.62 1.53 -0.78 2.04 1.08 0.66 -1.13 117.51 121.53 1ugj h ILE 44 Ca 0.42 -1.87 0.12 0.00 -0.39 0.00 0.00 64.86 63.14 1ugj h ILE 44 Cb 0.74 2.69 -0.08 0.00 -3.07 0.00 0.00 36.82 37.10 1ugj h ILE 44 CO -0.18 0.51 0.38 -0.07 -0.69 0.00 0.00 178.15 178.11 1ugj h LEU 45 N -0.49 0.47 0.50 1.44 3.38 0.11 0.61 115.31 121.33 1ugj h LEU 45 Ca -0.02 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1ugj h LEU 45 Cb 0.95 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1ugj h LEU 45 CO 0.04 0.23 -0.24 -0.33 0.09 0.00 0.00 178.44 178.23 1ugj h GLU 46 N 0.59 -0.65 -0.99 1.13 4.39 -0.41 -1.42 114.58 117.23 1ugj h GLU 46 Ca 0.41 0.04 0.30 0.00 0.34 0.00 0.00 59.36 60.45 1ugj h GLU 46 Cb 0.51 0.15 -0.18 0.00 -0.10 0.00 0.00 28.75 29.13 1ugj h GLU 46 CO -0.33 -0.43 0.13 0.93 -1.16 0.00 0.00 179.01 178.16 1ugj h GLU 47 N -0.92 0.01 -0.19 2.33 4.39 -0.90 1.65 114.58 120.95 1ugj h GLU 47 Ca -0.07 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1ugj h GLU 47 Cb 0.51 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1ugj h GLU 47 CO 0.11 0.01 0.08 0.82 -1.16 0.00 0.00 179.01 178.87 1ugj h ILE 48 N 0.01 1.15 -0.15 3.13 2.04 -0.85 1.41 117.51 124.25 1ugj h ILE 48 Ca 0.65 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 66.01 1ugj h ILE 48 Cb 1.43 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 1ugj h ILE 48 CO -0.89 0.14 -0.15 -0.33 0.00 0.00 0.00 178.15 176.92 1ugj h GLU 49 N 0.17 0.24 0.11 2.37 5.08 0.26 -2.40 114.58 120.41 1ugj h GLU 49 Ca 0.06 -0.06 -0.27 0.00 -1.00 0.00 0.00 59.36 58.10 1ugj h GLU 49 Cb 0.15 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.38 1ugj h GLU 49 CO -0.01 0.40 -1.18 1.57 -1.00 0.00 0.00 179.01 178.79 1ugj h LYS 50 N 0.23 0.37 -6.79 2.33 2.10 0.24 -3.45 116.57 111.59 1ugj h LYS 50 Ca 0.04 -0.54 -0.53 0.00 -2.00 0.00 0.00 60.65 57.63 1ugj h LYS 50 Cb 0.42 0.19 0.07 0.00 -0.90 0.00 0.00 32.23 32.00 1ugj h LYS 50 CO 0.03 1.22 0.78 0.45 -2.00 0.00 0.00 179.45 179.93 1ugj s SER 51 N -7.20 6.57 -0.42 7.07 0.15 0.48 -4.89 113.70 115.46 1ugj s SER 51 Ca -0.05 2.77 0.02 0.00 0.70 0.00 0.00 55.95 59.39 1ugj s SER 51 Cb 0.07 -2.63 0.50 0.00 -1.71 0.00 0.00 66.02 62.25 1ugj s SER 51 CO 0.89 -0.75 1.83 0.29 1.20 0.00 0.00 173.24 176.70 1ugj n LYS 52 N 1.97 2.13 -5.19 5.44 4.76 -1.26 -4.88 118.16 121.14 1ugj n LYS 52 Ca 0.06 -2.54 -0.32 0.00 -2.87 0.00 0.00 58.31 52.64 1ugj n LYS 52 Cb 0.40 -2.00 -0.16 0.00 -1.84 0.00 0.00 35.03 31.43 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 -2.84 2.24 -0.37 7.82 0.00 -1.26 -5.00 121.76 122.36 1ugj s ALA 53 Ca 0.49 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.48 1ugj s ALA 53 Cb 0.40 -0.77 0.48 0.00 0.00 0.00 0.00 23.12 23.23 1ugj s ALA 53 CO 0.06 0.38 1.51 0.09 0.00 0.00 0.00 175.76 177.81 1ugj n ASN 54 N 3.08 3.73 -3.83 0.00 5.03 -1.26 -4.80 115.26 117.22 1ugj n ASN 54 Ca -0.18 -2.91 -0.20 0.00 0.87 0.00 0.00 54.58 52.16 1ugj n ASN 54 Cb 0.52 -0.69 -0.17 0.00 -1.02 0.00 0.00 39.78 38.43 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 -2.18 0.57 -0.12 3.10 2.46 -1.26 -3.02 115.29 114.83 1ugj s HIS 55 Ca 0.37 -0.12 -0.04 0.00 0.47 0.00 0.00 55.06 55.74 1ugj s HIS 55 Cb 0.30 -0.62 0.06 0.00 -0.13 0.00 0.00 32.58 32.19 1ugj s HIS 55 CO 0.08 -0.21 0.21 -0.06 -2.47 0.00 0.00 174.74 172.29 1ugj s PHE 56 N 1.30 -0.28 0.12 3.88 0.08 -1.26 -2.95 117.98 118.88 1ugj s PHE 56 Ca -0.05 0.66 0.05 0.00 0.12 0.00 0.00 56.93 57.70 1ugj s PHE 56 Cb -0.13 -0.20 -0.04 0.00 -0.57 0.00 0.00 43.02 42.07 1ugj s PHE 56 CO -0.02 -0.37 0.05 -0.51 -0.10 0.00 0.00 175.22 174.27 1ugj s LEU 57 N 2.34 3.58 -0.18 -0.37 1.02 0.54 -4.74 118.68 120.88 1ugj s LEU 57 Ca 0.03 -0.18 -0.08 0.00 0.02 0.00 0.00 54.13 53.93 1ugj s LEU 57 Cb -0.13 -2.26 -0.04 0.00 0.02 0.00 0.00 46.19 43.78 1ugj s LEU 57 CO -0.08 0.13 0.07 -0.63 0.02 0.00 0.00 176.35 175.86 1ugj s ILE 58 N -1.52 4.90 -0.29 -0.59 1.01 -1.22 -1.69 121.20 121.81 1ugj s ILE 58 Ca 0.28 0.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.75 1ugj s ILE 58 Cb -0.11 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.13 1ugj s ILE 58 CO 0.20 0.46 0.53 -0.22 0.00 0.00 0.00 174.94 175.92 1ugj s LEU 59 N 0.32 4.13 0.00 2.97 2.96 -0.06 -2.71 118.68 126.28 1ugj s LEU 59 Ca 0.04 0.39 0.04 0.00 -0.22 0.00 0.00 54.13 54.38 1ugj s LEU 59 Cb -0.12 -2.67 0.04 0.00 0.50 0.00 0.00 46.19 43.93 1ugj s LEU 59 CO -0.00 -0.36 0.31 0.49 -1.32 0.00 0.00 176.35 175.47 1ugj n PHE 60 N 5.65 -2.46 0.11 5.38 3.72 -1.25 0.19 117.46 128.79 1ugj n PHE 60 Ca -0.04 -0.90 0.10 0.00 -0.05 0.00 0.00 57.45 56.56 1ugj n PHE 60 Cb 0.49 -0.22 0.01 0.00 -0.94 0.00 0.00 39.48 38.82 1ugj n PHE 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ugj h ARG 61 N 0.00 0.00 0.00 -1.08 2.47 -1.94 -3.45 114.38 110.38 1ugj h ARG 61 Ca -0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 1ugj h ARG 61 Cb 0.53 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1ugj h ARG 61 CO 0.17 0.04 0.00 -3.47 0.56 0.00 0.00 179.97 177.27 1ugj n ASP 62 N -2.75 -1.76 -3.27 7.04 2.03 -1.26 -5.07 116.55 111.51 1ugj n ASP 62 Ca -0.01 0.44 0.03 0.00 0.52 0.00 0.00 54.79 55.78 1ugj n ASP 62 Cb 0.58 1.86 -0.02 0.00 -0.72 0.00 0.00 41.12 42.82 1ugj n ASP 62 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1ugj s SER 63 N -2.00 -0.87 -1.32 1.67 0.01 -1.26 -4.70 113.70 105.23 1ugj s SER 63 Ca 0.00 0.76 -0.15 0.00 1.31 0.00 0.00 55.95 57.87 1ugj s SER 63 Cb 0.00 1.82 0.02 0.00 0.21 0.00 0.00 66.02 68.07 1ugj s SER 63 CO 0.00 -0.16 0.29 -1.20 0.41 0.00 0.00 173.24 172.57 1ugj n SER 64 N 5.34 -1.22 0.00 2.44 7.64 -1.26 -4.88 113.62 121.68 1ugj n SER 64 Ca -0.06 -1.22 0.00 0.00 1.01 0.00 0.00 58.87 58.60 1ugj n SER 64 Cb 0.52 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 1ugj n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ugj s GLN 66 N 0.00 0.14 -0.02 0.00 -0.21 -1.26 -4.98 119.66 113.33 1ugj s GLN 66 Ca 0.00 0.30 -0.36 0.00 0.02 0.00 0.00 55.36 55.32 1ugj s GLN 66 Cb 0.00 -0.04 -0.15 0.00 1.00 0.00 0.00 33.01 33.82 1ugj s GLN 66 CO 0.00 -0.09 1.60 0.34 -2.12 0.00 0.00 175.29 175.02 1ugj n PHE 67 N 3.59 1.99 -0.07 0.91 -0.00 -1.26 -3.88 117.46 118.74 1ugj n PHE 67 Ca -0.19 0.40 -0.09 0.00 -0.00 0.00 0.00 57.45 57.57 1ugj n PHE 67 Cb 0.56 -2.48 -0.08 0.00 -0.00 0.00 0.00 39.48 37.48 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 4.26 1.05 -3.64 -4.13 5.12 0.49 -4.98 116.66 114.83 1ugj n ARG 68 Ca 0.21 0.05 -0.02 0.00 -1.93 0.00 0.00 57.85 56.16 1ugj n ARG 68 Cb 0.22 -1.30 -0.05 0.00 -1.16 0.00 0.00 32.46 30.17 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 -2.30 -2.14 0.27 7.54 0.00 -1.21 -4.30 121.76 119.62 1ugj s ALA 69 Ca -0.15 1.86 -0.05 0.00 0.00 0.00 0.00 51.96 53.63 1ugj s ALA 69 Cb 0.05 -1.58 -0.05 0.00 0.00 0.00 0.00 23.12 21.54 1ugj s ALA 69 CO 0.40 -0.21 0.53 -1.17 0.00 0.00 0.00 175.76 175.30 1ugj s LEU 70 N -0.85 4.10 -0.02 0.00 2.96 -0.98 -0.88 118.68 123.01 1ugj s LEU 70 Ca 0.09 0.69 -0.11 0.00 -0.22 0.00 0.00 54.13 54.57 1ugj s LEU 70 Cb -0.02 -3.49 0.02 0.00 0.50 0.00 0.00 46.19 43.20 1ugj s LEU 70 CO -0.09 -0.15 0.25 -0.31 -1.32 0.00 0.00 176.35 174.72 1ugj s TYR 71 N -2.01 -0.12 -0.09 5.38 1.51 -0.68 -2.70 117.35 118.64 1ugj s TYR 71 Ca 0.43 0.20 -0.02 0.00 -1.01 0.00 0.00 57.07 56.67 1ugj s TYR 71 Cb -0.11 0.05 -0.03 0.00 -0.11 0.00 0.00 41.96 41.76 1ugj s TYR 71 CO 0.29 -0.32 0.00 0.95 -1.11 0.00 0.00 175.55 175.36 1ugj s THR 72 N -1.13 4.31 -0.08 -0.71 -4.23 -0.13 -0.33 115.64 113.33 1ugj s THR 72 Ca -0.12 -0.25 -0.15 0.00 -1.18 0.00 0.00 61.69 60.00 1ugj s THR 72 Cb -0.06 -2.81 -0.05 0.00 1.34 0.00 0.00 72.50 70.92 1ugj s THR 72 CO 0.03 0.60 0.37 -0.22 -0.54 0.00 0.00 174.62 174.86 1ugj s LEU 73 N -0.86 4.36 -0.48 4.79 2.96 -1.15 0.59 118.68 128.89 1ugj s LEU 73 Ca 0.13 0.76 -0.28 0.00 -0.22 0.00 0.00 54.13 54.53 1ugj s LEU 73 Cb -0.11 -2.50 0.03 0.00 0.50 0.00 0.00 46.19 44.10 1ugj s LEU 73 CO 0.02 0.20 1.06 -0.44 -1.32 0.00 0.00 176.35 175.87 1ugj s SER 74 N -0.28 6.57 0.65 3.68 0.01 -0.42 -4.65 113.70 119.25 1ugj s SER 74 Ca 0.21 0.30 0.43 0.00 1.31 0.00 0.00 55.95 58.20 1ugj s SER 74 Cb -0.15 -2.51 2.33 0.00 0.21 0.00 0.00 66.02 65.90 1ugj s SER 74 CO 0.09 -1.19 2.31 1.23 0.41 0.00 0.00 173.24 176.10 1ugj h GLY 75 N 11.01 0.00 2.00 3.44 0.00 -1.96 0.10 103.07 117.67 1ugj h GLY 75 Ca -0.24 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.92 1ugj h GLY 75 CO 1.09 0.00 -0.83 1.05 0.00 0.00 0.00 176.54 177.86 1ugj h GLU 76 N 0.00 0.00 0.00 4.80 4.11 -1.96 -3.47 114.58 118.06 1ugj h GLU 76 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ugj h GLU 76 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1ugj h GLU 76 CO 0.00 0.83 0.00 0.25 0.07 0.00 0.00 179.01 180.16 1ugj n THR 77 N -3.53 0.00 0.03 -1.06 -2.24 0.36 -5.06 114.28 102.77 1ugj n THR 77 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ugj n THR 77 Cb 0.80 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 69.03 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 5.07 -1.74 -0.78 1.02 -1.25 -4.62 120.64 118.34 1ugj n GLU 78 Ca 0.00 -0.12 -0.31 0.00 -0.02 0.00 0.00 57.16 56.71 1ugj n GLU 78 Cb 0.00 -0.64 0.04 0.00 -0.02 0.00 0.00 31.44 30.82 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 -0.83 3.13 0.02 3.49 8.01 -1.26 -4.59 118.70 126.67 1ugj s GLU 79 Ca 0.00 0.78 0.00 0.00 0.01 0.00 0.00 54.97 55.76 1ugj s GLU 79 Cb 0.00 -2.03 0.00 0.00 -4.31 0.00 0.00 34.13 27.80 1ugj s GLU 79 CO 0.02 -0.91 0.02 1.28 0.01 0.00 0.00 175.26 175.68 1ugj n LEU 80 N -2.98 0.00 -3.70 1.80 4.77 -0.28 -1.30 117.00 115.31 1ugj n LEU 80 Ca 0.07 -0.10 -0.12 0.00 -0.03 0.00 0.00 56.01 55.84 1ugj n LEU 80 Cb 0.54 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 1ugj n LEU 80 CO 0.57 -0.32 0.11 -0.55 -1.33 0.00 0.00 177.39 175.87 1ugj s SER 81 N -1.11 -0.53 -0.58 -1.43 0.15 0.20 -3.87 113.70 106.53 1ugj s SER 81 Ca 0.01 0.94 -0.27 0.00 0.70 0.00 0.00 55.95 57.34 1ugj s SER 81 Cb -0.00 0.89 -0.03 0.00 -1.71 0.00 0.00 66.02 65.17 1ugj s SER 81 CO 0.01 -0.18 1.92 -0.60 1.20 0.00 0.00 173.24 175.59 1ugj s ARG 82 N 0.87 2.60 -0.03 5.44 3.52 -0.66 -0.96 118.95 129.73 1ugj s ARG 82 Ca -0.05 0.75 -0.10 0.00 -0.13 0.00 0.00 55.73 56.20 1ugj s ARG 82 Cb -0.06 -4.40 -0.05 0.00 -1.56 0.00 0.00 34.95 28.88 1ugj s ARG 82 CO -0.07 -2.75 0.51 1.25 -0.81 0.00 0.00 175.30 173.43 1ugj h LEU 83 N 16.65 -0.30 -7.67 -0.88 5.85 -1.86 -3.48 115.31 123.62 1ugj h LEU 83 Ca -0.26 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 1ugj h LEU 83 Cb 1.18 0.08 -0.11 0.00 0.37 0.00 0.00 40.66 42.17 1ugj h LEU 83 CO 1.20 0.01 -0.06 0.00 -0.34 0.00 0.00 178.44 179.25 1ugj s ALA 84 N -3.57 -0.77 0.00 1.25 0.00 -1.19 -5.05 121.76 112.43 1ugj s ALA 84 Ca -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1ugj s ALA 84 Cb 0.01 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.93 1ugj s ALA 84 CO 0.16 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.59 1ugj n GLY 85 N -0.29 1.07 3.16 0.00 0.00 -1.26 -2.31 105.19 105.57 1ugj n GLY 85 Ca -0.11 -1.05 0.04 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.04 -0.94 1.61 5.04 -1.26 -5.06 117.35 116.70 1ugj s TYR 86 Ca 0.00 0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.70 1ugj s TYR 86 Cb 0.00 0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.33 1ugj s TYR 86 CO 0.00 -0.02 0.00 0.41 -1.34 0.00 0.00 175.55 174.60 1ugj n GLY 87 N 4.54 -0.70 3.69 8.97 0.00 -1.26 -4.80 105.19 115.63 1ugj n GLY 87 Ca -0.06 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.38 4.37 0.32 1.61 0.04 -1.26 -4.88 135.00 134.82 1ugj s PRO 88 Ca 0.00 1.70 0.20 0.00 0.04 0.00 0.00 61.00 62.94 1ugj s PRO 88 Cb 0.00 -3.51 1.14 0.00 0.04 0.00 0.00 34.50 32.17 1ugj s PRO 88 CO 0.00 -0.40 1.30 -2.13 0.04 0.00 0.00 177.00 175.81 1ugj n ARG 89 N 4.91 -0.05 -4.10 4.56 0.63 -1.26 -4.38 116.66 116.98 1ugj n ARG 89 Ca 0.11 1.12 -0.10 0.00 -0.92 0.00 0.00 57.85 58.05 1ugj n ARG 89 Cb 0.46 -2.05 -0.08 0.00 0.45 0.00 0.00 32.46 31.24 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 -5.19 0.03 0.03 5.15 2.01 -1.26 -1.66 115.64 114.75 1ugj s THR 90 Ca -0.07 -1.74 0.02 0.00 0.31 0.00 0.00 61.69 60.21 1ugj s THR 90 Cb 0.28 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.55 1ugj s THR 90 CO 0.65 -0.15 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.68 1ugj s VAL 91 N -4.07 0.41 0.29 3.82 1.01 -1.25 -4.96 120.40 115.65 1ugj s VAL 91 Ca 0.28 -0.85 0.09 0.00 0.00 0.00 0.00 61.98 61.50 1ugj s VAL 91 Cb 0.05 -0.47 -0.06 0.00 0.00 0.00 0.00 36.38 35.90 1ugj s VAL 91 CO 0.07 -0.30 -0.10 0.42 0.00 0.00 0.00 175.10 175.19 1ugj s THR 92 N -1.11 1.98 -1.51 3.92 -4.23 -1.26 -1.13 115.64 112.30 1ugj s THR 92 Ca -0.09 -2.21 0.23 0.00 -1.18 0.00 0.00 61.69 58.45 1ugj s THR 92 Cb -0.08 -2.44 0.44 0.00 1.34 0.00 0.00 72.50 71.76 1ugj s THR 92 CO 0.00 -0.32 1.76 -0.81 -0.54 0.00 0.00 174.62 174.70 1ugj n PRO 93 N -0.63 0.39 0.07 3.99 -0.04 -1.26 -1.86 135.00 135.66 1ugj n PRO 93 Ca -0.06 0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 1ugj n PRO 93 Cb 0.62 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.63 1ugj n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ugj n ALA 94 N -1.24 2.81 -0.03 0.55 0.00 -1.26 -3.99 120.51 117.35 1ugj n ALA 94 Ca 0.12 -0.28 0.04 0.00 0.00 0.00 0.00 53.44 53.32 1ugj n ALA 94 Cb 0.17 -1.09 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 1ugj n ALA 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ugj n MET 95 N -2.37 0.75 -1.84 0.00 2.81 -0.88 -4.95 117.12 110.63 1ugj n MET 95 Ca 0.01 -0.12 -0.42 0.00 -1.81 0.00 0.00 57.70 55.36 1ugj n MET 95 Cb 0.50 -1.43 -0.03 0.00 -0.71 0.00 0.00 33.22 31.55 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 -3.01 2.67 -0.14 2.03 0.11 -0.78 0.52 120.40 121.80 1ugj s VAL 96 Ca -0.07 0.29 -0.27 0.00 -2.93 0.00 0.00 61.98 59.00 1ugj s VAL 96 Cb 0.10 -3.19 -0.24 0.00 -1.53 0.00 0.00 36.38 31.52 1ugj s VAL 96 CO 0.73 0.01 0.69 -0.08 -3.33 0.00 0.00 175.10 173.11 1ugj h GLU 97 N 7.86 0.00 -3.53 1.54 4.81 -0.24 -3.45 114.58 121.58 1ugj h GLU 97 Ca -0.44 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.74 1ugj h GLU 97 Cb 1.21 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.48 1ugj h GLU 97 CO 0.93 0.94 -0.11 0.20 -0.73 0.00 0.00 179.01 180.24 1ugj s GLY 98 N -4.22 0.13 0.07 1.92 0.00 -1.11 -5.01 107.32 99.11 1ugj s GLY 98 Ca -0.18 -0.48 0.07 0.00 0.00 0.00 0.00 44.72 44.12 1ugj s GLY 98 CO 0.64 -0.49 -0.18 -0.26 0.00 0.00 0.00 173.10 172.81 1ugj s ILE 99 N -3.91 1.45 0.25 0.90 -4.36 -1.26 -1.91 121.20 112.36 1ugj s ILE 99 Ca 0.12 -1.29 0.02 0.00 -0.26 0.00 0.00 60.65 59.24 1ugj s ILE 99 Cb 0.01 -1.32 -0.04 0.00 1.25 0.00 0.00 42.46 42.36 1ugj s ILE 99 CO -0.02 -0.01 0.17 -0.31 0.24 0.00 0.00 174.94 175.01 1ugj s TYR 100 N -1.03 1.38 0.03 1.37 1.51 0.15 -0.59 117.35 120.18 1ugj s TYR 100 Ca 0.04 -1.46 0.00 0.00 -1.01 0.00 0.00 57.07 54.65 1ugj s TYR 100 Cb -0.09 -0.64 -0.00 0.00 -0.11 0.00 0.00 41.96 41.12 1ugj s TYR 100 CO 0.03 -0.69 0.01 0.36 -1.11 0.00 0.00 175.55 174.15 1ugj n LYS 101 N -0.40 0.78 -3.67 -0.62 -0.00 0.32 0.54 118.16 115.10 1ugj n LYS 101 Ca 0.03 -0.28 -0.25 0.00 -0.00 0.00 0.00 58.31 57.81 1ugj n LYS 101 Cb 0.65 0.16 -0.17 0.00 -0.00 0.00 0.00 35.03 35.67 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 -1.73 0.47 -0.53 5.58 6.14 -1.26 -2.74 117.35 123.28 1ugj s TYR 102 Ca 0.02 -0.37 -0.27 0.00 0.64 0.00 0.00 57.07 57.09 1ugj s TYR 102 Cb 0.00 -0.77 -0.03 0.00 0.42 0.00 0.00 41.96 41.58 1ugj s TYR 102 CO 0.01 -0.47 1.98 -0.80 0.64 0.00 0.00 175.55 176.91 1ugj s ASN 103 N 2.04 5.19 0.00 4.32 0.01 0.52 -4.77 114.94 122.25 1ugj s ASN 103 Ca 0.02 0.69 0.25 0.00 -0.71 0.00 0.00 52.86 53.12 1ugj s ASN 103 Cb -0.15 -2.52 1.51 0.00 0.41 0.00 0.00 41.25 40.50 1ugj s ASN 103 CO -0.07 -2.37 1.91 -0.24 -1.51 0.00 0.00 177.10 174.81 1ugj n SER 104 N 13.03 0.00 -0.06 -1.22 2.88 -1.26 0.19 113.62 127.18 1ugj n SER 104 Ca 0.25 -0.97 -0.08 0.00 -1.33 0.00 0.00 58.87 56.73 1ugj n SER 104 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.91 1ugj n SER 104 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1ugj n ASP 105 N -0.95 2.92 -0.74 -3.46 8.00 -1.26 -4.58 116.55 116.48 1ugj n ASP 105 Ca 0.19 -0.05 0.07 0.00 0.71 0.00 0.00 54.79 55.71 1ugj n ASP 105 Cb 0.09 0.01 0.15 0.00 -0.02 0.00 0.00 41.12 41.34 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 -2.76 2.10 -4.17 -1.24 1.74 -1.17 -4.97 116.66 106.20 1ugj n ARG 106 Ca -0.21 -1.88 -0.32 0.00 -0.77 0.00 0.00 57.85 54.67 1ugj n ARG 106 Cb 0.76 -1.33 -0.04 0.00 -1.02 0.00 0.00 32.46 30.83 1ugj n ARG 106 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1ugj n LYS 107 N 0.84 -2.65 -3.35 5.56 2.85 0.51 -4.92 118.16 117.00 1ugj n LYS 107 Ca 0.13 0.32 -0.15 0.00 -1.05 0.00 0.00 58.31 57.55 1ugj n LYS 107 Cb 0.44 -4.62 -0.04 0.00 -0.65 0.00 0.00 35.03 30.16 1ugj n LYS 107 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1ugj n ARG 108 N -4.40 0.98 -4.62 -1.58 1.74 -0.89 -4.89 116.66 102.99 1ugj n ARG 108 Ca -0.13 -1.91 -0.22 0.00 -0.77 0.00 0.00 57.85 54.82 1ugj n ARG 108 Cb 0.59 0.83 -0.15 0.00 -1.02 0.00 0.00 32.46 32.70 1ugj n ARG 108 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ugj s PHE 109 N -2.22 1.27 0.18 -1.55 0.08 -1.26 0.20 117.98 114.67 1ugj s PHE 109 Ca 0.07 -0.28 0.08 0.00 0.12 0.00 0.00 56.93 56.92 1ugj s PHE 109 Cb 0.00 -0.84 -0.04 0.00 -0.57 0.00 0.00 43.02 41.57 1ugj s PHE 109 CO 0.05 -0.06 -0.17 0.99 -0.10 0.00 0.00 175.22 175.92 1ugj s THR 110 N -0.16 1.80 -0.43 0.64 2.01 -1.11 -4.93 115.64 113.46 1ugj s THR 110 Ca 0.02 -2.00 -0.11 0.00 0.31 0.00 0.00 61.69 59.92 1ugj s THR 110 Cb -0.07 -1.89 0.08 0.00 0.01 0.00 0.00 72.50 70.63 1ugj s THR 110 CO 0.00 -0.39 0.30 -1.58 -0.69 0.00 0.00 174.62 172.26 1ugj s GLN 111 N -3.02 2.69 0.23 4.92 0.74 -1.26 0.12 119.66 124.07 1ugj s GLN 111 Ca 0.17 -1.45 -0.27 0.00 0.05 0.00 0.00 55.36 53.86 1ugj s GLN 111 Cb -0.04 -3.87 -0.17 0.00 1.10 0.00 0.00 33.01 30.03 1ugj s GLN 111 CO 0.07 -0.99 0.50 -0.89 -0.55 0.00 0.00 175.29 173.43 1ugj n ILE 112 N 4.98 1.85 1.12 -2.34 2.08 0.24 -4.78 119.36 122.52 1ugj n ILE 112 Ca -0.10 -0.50 0.11 0.00 0.56 0.00 0.00 62.75 62.82 1ugj n ILE 112 Cb 0.43 -0.06 0.59 0.00 -0.75 0.00 0.00 39.64 39.85 1ugj n ILE 112 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1ugj n PRO 113 N 1.02 0.37 -4.19 0.38 -0.04 -1.26 -4.70 135.00 126.57 1ugj n PRO 113 Ca 0.17 0.06 -0.23 0.00 -0.04 0.00 0.00 63.50 63.46 1ugj n PRO 113 Cb 0.27 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.17 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 -2.51 3.35 -1.38 0.55 0.00 -1.26 -5.02 121.76 115.49 1ugj s ALA 114 Ca 0.23 -1.69 0.13 0.00 0.00 0.00 0.00 51.96 50.63 1ugj s ALA 114 Cb 0.15 -0.83 0.21 0.00 0.00 0.00 0.00 23.12 22.66 1ugj s ALA 114 CO 0.34 0.18 1.08 1.63 0.00 0.00 0.00 175.76 178.98 1ugj n LYS 115 N -1.03 1.69 -3.97 0.00 4.01 -1.26 -4.42 118.16 113.18 1ugj n LYS 115 Ca -0.05 -1.65 -0.26 0.00 -0.51 0.00 0.00 58.31 55.83 1ugj n LYS 115 Cb 0.60 -1.28 -0.04 0.00 -0.51 0.00 0.00 35.03 33.81 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 -1.04 5.15 0.84 -0.18 2.01 -1.26 -4.87 115.64 116.29 1ugj s THR 116 Ca 0.20 -0.76 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 1ugj s THR 116 Cb 0.12 -3.65 0.10 0.00 0.01 0.00 0.00 72.50 69.09 1ugj s THR 116 CO 0.17 -0.09 1.15 -0.04 -0.69 0.00 0.00 174.62 175.12 1ugj s MET 117 N -3.19 1.54 -0.25 4.92 -1.94 -1.26 -4.99 119.30 114.12 1ugj s MET 117 Ca 0.34 1.53 -0.37 0.00 -1.71 0.00 0.00 55.69 55.48 1ugj s MET 117 Cb -0.11 -1.79 0.15 0.00 2.01 0.00 0.00 34.83 35.10 1ugj s MET 117 CO 0.27 -2.24 1.32 -1.12 -0.01 0.00 0.00 175.02 173.24 1ugj s SER 118 N -2.64 -0.06 0.00 3.03 0.01 -1.26 -4.99 113.70 107.79 1ugj s SER 118 Ca 0.68 0.00 0.17 0.00 1.31 0.00 0.00 55.95 58.11 1ugj s SER 118 Cb -0.23 0.06 0.90 0.00 0.21 0.00 0.00 66.02 66.96 1ugj s SER 118 CO 0.54 -0.10 1.47 0.80 0.41 0.00 0.00 173.24 176.36 1ugj n MET 119 N -0.01 0.33 -0.56 12.44 0.00 -1.26 -1.89 117.12 126.17 1ugj n MET 119 Ca 0.03 0.09 0.07 0.00 -0.00 0.00 0.00 57.70 57.90 1ugj n MET 119 Cb 0.57 -1.50 0.31 0.00 0.00 0.00 0.00 33.22 32.60 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 -1.20 4.20 -4.41 6.12 7.64 -1.26 -4.76 113.62 119.95 1ugj n SER 120 Ca 0.09 -2.44 -0.32 0.00 1.01 0.00 0.00 58.87 57.21 1ugj n SER 120 Cb 0.11 -0.55 -0.14 0.00 -1.01 0.00 0.00 64.21 62.62 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 -1.92 2.81 0.00 0.44 1.01 -0.79 -4.48 120.40 117.47 1ugj s VAL 121 Ca 0.43 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1ugj s VAL 121 Cb 0.29 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1ugj s VAL 121 CO 0.19 0.57 0.57 0.47 0.00 0.00 0.00 175.10 176.91 1ugj n ASP 122 N 2.66 0.77 -3.51 3.32 9.92 0.19 -4.88 116.55 125.01 1ugj n ASP 122 Ca -0.17 -1.32 -0.15 0.00 -0.53 0.00 0.00 54.79 52.62 1ugj n ASP 122 Cb 0.52 0.00 -0.05 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 -0.32 -1.78 -0.05 2.24 0.00 -0.38 -3.40 121.76 118.07 1ugj s ALA 123 Ca 0.00 1.23 -0.31 0.00 0.00 0.00 0.00 51.96 52.88 1ugj s ALA 123 Cb 0.00 0.03 0.07 0.00 0.00 0.00 0.00 23.12 23.23 1ugj s ALA 123 CO 0.00 -0.44 0.70 -0.59 0.00 0.00 0.00 175.76 175.44 1ugj s PHE 124 N -1.66 -0.64 -0.16 0.00 -0.71 -1.10 0.32 117.98 114.03 1ugj s PHE 124 Ca -0.07 1.07 -0.00 0.00 -1.04 0.00 0.00 56.93 56.89 1ugj s PHE 124 Cb -0.00 0.42 0.04 0.00 -1.21 0.00 0.00 43.02 42.26 1ugj s PHE 124 CO 0.04 -0.60 -0.06 0.95 -1.34 0.00 0.00 175.22 174.21 1ugj s THR 125 N -1.24 1.13 1.16 -4.49 -4.23 -0.80 -3.87 115.64 103.30 1ugj s THR 125 Ca -0.10 -0.59 -0.15 0.00 -1.18 0.00 0.00 61.69 59.67 1ugj s THR 125 Cb -0.00 -1.27 0.27 0.00 1.34 0.00 0.00 72.50 72.84 1ugj s THR 125 CO 0.09 0.18 1.04 0.27 -0.54 0.00 0.00 174.62 175.66 1ugj s ILE 126 N 1.63 1.85 1.18 2.99 -4.36 -1.26 0.39 121.20 123.62 1ugj s ILE 126 Ca 0.01 0.00 -0.19 0.00 -0.26 0.00 0.00 60.65 60.22 1ugj s ILE 126 Cb -0.15 -2.24 0.29 0.00 1.25 0.00 0.00 42.46 41.61 1ugj s ILE 126 CO -0.08 0.00 0.65 0.00 0.24 0.00 0.00 174.94 175.75 1ugj n GLN 127 N -4.80 -3.60 -0.12 0.37 6.02 0.18 -4.25 117.38 111.18 1ugj n GLN 127 Ca 0.06 -1.10 -0.15 0.00 -0.01 0.00 0.00 57.00 55.80 1ugj n GLN 127 Cb 0.57 -1.56 -0.13 0.00 1.02 0.00 0.00 30.24 30.13 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 -3.97 -0.58 0.33 1.08 0.00 -1.26 -4.23 105.19 96.55 1ugj n GLY 128 Ca 0.10 -0.23 0.21 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.14 1.61 2.07 -1.94 -1.48 115.15 115.27 1ugj h HIS 129 Ca -0.56 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 56.95 1ugj h HIS 129 Cb 2.01 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.98 1ugj h HIS 129 CO 0.02 0.00 0.08 -0.07 -3.07 0.00 0.00 177.93 174.89 1ugj h LEU 130 N 0.00 0.17 0.44 6.12 4.07 -1.96 -3.13 115.31 121.03 1ugj h LEU 130 Ca -0.00 -0.08 -0.02 0.00 0.08 0.00 0.00 57.88 57.86 1ugj h LEU 130 Cb 0.03 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1ugj h LEU 130 CO 0.00 0.20 -0.21 -0.50 -1.08 0.00 0.00 178.44 176.85 1ugj h TRP 131 N 0.13 -0.55 -3.35 1.13 4.06 -1.51 -3.43 115.95 112.43 1ugj h TRP 131 Ca 0.05 -0.01 -0.66 0.00 2.06 0.00 0.00 58.89 60.32 1ugj h TRP 131 Cb 0.07 0.18 -0.33 0.00 -1.00 0.00 0.00 29.16 28.08 1ugj h TRP 131 CO -0.04 -0.34 -0.87 1.14 -3.56 0.00 0.00 178.44 174.76 1ugj s GLN 132 N -3.97 2.92 0.22 0.49 -2.07 -1.06 -5.11 119.66 111.08 1ugj s GLN 132 Ca -0.09 -0.84 -0.22 0.00 -1.82 0.00 0.00 55.36 52.40 1ugj s GLN 132 Cb 0.01 -2.22 0.07 0.00 -1.09 0.00 0.00 33.01 29.78 1ugj s GLN 132 CO 0.26 0.17 0.96 -1.54 -1.32 0.00 0.00 175.29 173.81 1ugj s SER 133 N 0.37 -0.06 -0.28 12.60 1.04 -1.19 -4.00 113.70 122.18 1ugj s SER 133 Ca -0.19 -0.67 -0.04 0.00 0.48 0.00 0.00 55.95 55.53 1ugj s SER 133 Cb -0.18 0.57 0.10 0.00 0.10 0.00 0.00 66.02 66.61 1ugj s SER 133 CO 0.08 -1.10 0.13 -0.75 0.98 0.00 0.00 173.24 172.58 1ugj s LYS 134 N -2.61 0.19 0.28 4.02 2.20 -1.26 -5.07 119.74 117.49 1ugj s LYS 134 Ca 0.17 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 55.28 1ugj s LYS 134 Cb -0.03 -1.23 0.00 0.00 -1.51 0.00 0.00 37.83 35.06 1ugj s LYS 134 CO 0.06 -0.99 0.00 1.17 -0.36 0.00 0.00 175.35 175.22 1ugj n LYS 135 N 5.25 -2.46 -3.68 4.03 0.00 -1.26 -5.08 118.16 114.96 1ugj n LYS 135 Ca -0.06 1.84 -0.15 0.00 0.00 0.00 0.00 58.31 59.94 1ugj n LYS 135 Cb 0.43 -2.07 -0.08 0.00 0.00 0.00 0.00 35.03 33.31 1ugj n LYS 135 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ugj s SER 136 N -2.79 -0.39 0.00 3.14 0.15 -1.26 -5.11 113.70 107.45 1ugj s SER 136 Ca 0.00 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.12 1ugj s SER 136 Cb 0.00 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1ugj s SER 136 CO 0.00 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.62 1ugj n GLY 137 N 1.54 -1.39 0.06 9.45 0.00 -1.26 -5.07 105.19 108.52 1ugj n GLY 137 Ca -0.19 0.74 -0.14 0.00 0.00 0.00 0.00 46.02 46.43 1ugj n GLY 137 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ugj h PRO 138 N 0.00 0.00 -2.67 1.61 0.13 -2.07 -3.48 132.00 125.53 1ugj h PRO 138 Ca 0.00 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1ugj h PRO 138 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 1ugj h PRO 138 CO 0.00 0.75 0.25 -1.54 -0.23 0.00 0.00 178.00 177.23 1ugj s SER 139 N -5.97 -0.56 -0.30 1.44 1.04 -1.26 -5.17 113.70 102.93 1ugj s SER 139 Ca -0.17 0.15 -0.19 0.00 0.48 0.00 0.00 55.95 56.22 1ugj s SER 139 Cb -0.01 0.55 0.21 0.00 0.10 0.00 0.00 66.02 66.87 1ugj s SER 139 CO 0.68 -0.84 1.33 -0.55 0.98 0.00 0.00 173.24 174.84 1ugj s SER 140 N -2.36 -0.05 0.00 7.02 0.15 -1.26 -5.27 113.70 111.93 1ugj s SER 140 Ca -0.01 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1ugj s SER 140 Cb -0.01 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 1ugj s SER 140 CO -0.08 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 174.96