#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugj s SER 2 N 0.00 2.77 0.21 1.61 0.01 -1.26 -5.17 113.70 111.87 1ugj s SER 2 Ca 0.00 -1.39 -0.12 0.00 1.31 0.00 0.00 55.95 55.74 1ugj s SER 2 Cb 0.00 -0.12 -0.00 0.00 0.21 0.00 0.00 66.02 66.11 1ugj s SER 2 CO 0.00 -0.59 0.42 -0.44 0.41 0.00 0.00 173.24 173.04 1ugj s SER 3 N -3.55 -0.08 0.00 2.44 0.01 -1.26 -5.18 113.70 106.08 1ugj s SER 3 Ca 0.35 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1ugj s SER 3 Cb 0.09 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.85 1ugj s SER 3 CO 0.16 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.38 1ugj n GLY 4 N -0.32 -0.42 3.78 3.44 0.00 -1.26 -5.16 105.19 105.24 1ugj n GLY 4 Ca -0.05 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 1ugj n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ugj s SER 5 N 0.00 3.74 0.00 1.61 1.04 -1.26 -4.99 113.70 113.83 1ugj s SER 5 Ca 0.00 1.14 0.00 0.00 0.48 0.00 0.00 55.95 57.57 1ugj s SER 5 Cb 0.00 -1.79 0.00 0.00 0.10 0.00 0.00 66.02 64.33 1ugj s SER 5 CO 0.00 -2.43 0.00 -1.20 0.98 0.00 0.00 173.24 170.59 1ugj n SER 6 N -3.71 0.00 -2.27 7.02 7.64 -1.26 -5.18 113.62 115.86 1ugj n SER 6 Ca 0.07 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.92 1ugj n SER 6 Cb 0.58 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.79 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 0.00 1.17 3.57 0.23 0.00 -1.26 -4.97 105.19 103.94 1ugj n GLY 7 Ca 0.00 -2.03 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 1ugj n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugj s PRO 8 N -2.52 3.20 -0.53 1.61 0.04 -1.26 -4.92 135.00 130.63 1ugj s PRO 8 Ca 0.06 -1.36 -0.28 0.00 0.04 0.00 0.00 61.00 59.46 1ugj s PRO 8 Cb -0.00 -5.35 0.00 0.00 0.04 0.00 0.00 34.50 29.19 1ugj s PRO 8 CO 0.04 -3.03 1.55 1.03 0.04 0.00 0.00 177.00 176.63 1ugj s ARG 9 N 5.50 3.20 0.01 4.56 3.00 -1.26 -4.97 118.95 129.00 1ugj s ARG 9 Ca 0.60 0.65 -0.28 0.00 0.00 0.00 0.00 55.73 56.71 1ugj s ARG 9 Cb 0.00 -4.18 -0.04 0.00 0.00 0.00 0.00 34.95 30.74 1ugj s ARG 9 CO 0.06 -2.05 0.87 -0.51 0.00 0.00 0.00 175.30 173.68 1ugj s LEU 10 N 6.68 4.40 0.00 2.53 1.43 -1.26 -5.02 118.68 127.43 1ugj s LEU 10 Ca 0.59 1.54 -0.04 0.00 -1.03 0.00 0.00 54.13 55.19 1ugj s LEU 10 Cb -0.13 -3.40 0.02 0.00 0.03 0.00 0.00 46.19 42.71 1ugj s LEU 10 CO 0.26 -0.14 0.33 0.00 0.23 0.00 0.00 176.35 177.04 1ugj n TYR 11 N 3.45 -1.31 -1.55 0.29 9.36 -1.26 -5.13 117.16 121.01 1ugj n TYR 11 Ca 0.02 -1.16 0.00 0.00 3.32 0.00 0.00 57.90 60.08 1ugj n TYR 11 Cb 0.51 0.39 0.00 0.00 -0.63 0.00 0.00 39.34 39.60 1ugj n TYR 11 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1ugj n LYS 12 N -0.30 -4.43 -1.21 2.98 5.02 -1.26 -4.84 118.16 114.10 1ugj n LYS 12 Ca -0.02 3.29 -0.37 0.00 -2.02 0.00 0.00 58.31 59.18 1ugj n LYS 12 Cb 0.32 -3.68 0.04 0.00 -0.02 0.00 0.00 35.03 31.68 1ugj n LYS 12 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ugj n GLU 13 N -0.67 0.13 0.00 1.97 -0.58 -1.26 -4.79 120.64 115.44 1ugj n GLU 13 Ca 0.00 0.06 0.11 0.00 -0.42 0.00 0.00 57.16 56.91 1ugj n GLU 13 Cb 0.00 -1.33 0.66 0.00 -0.57 0.00 0.00 31.44 30.20 1ugj n GLU 13 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1ugj n PRO 14 N 0.84 0.75 -1.52 3.49 -0.04 -1.26 -4.80 135.00 132.46 1ugj n PRO 14 Ca 0.07 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.13 1ugj n PRO 14 Cb 0.50 -1.46 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 1ugj n PRO 14 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ugj n SER 15 N -0.96 1.16 -4.69 3.54 2.88 -1.26 -4.87 113.62 109.42 1ugj n SER 15 Ca 0.17 -0.09 -0.30 0.00 -1.33 0.00 0.00 58.87 57.31 1ugj n SER 15 Cb 0.08 -1.20 0.15 0.00 -0.75 0.00 0.00 64.21 62.49 1ugj n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ugj s ALA 16 N 10.25 1.49 -0.30 -1.46 0.00 -1.26 -5.04 121.76 125.44 1ugj s ALA 16 Ca 1.20 0.29 -0.14 0.00 0.00 0.00 0.00 51.96 53.30 1ugj s ALA 16 Cb -0.81 -3.33 0.18 0.00 0.00 0.00 0.00 23.12 19.16 1ugj s ALA 16 CO 0.40 -2.52 1.12 0.21 0.00 0.00 0.00 175.76 174.97 1ugj s LYS 17 N -4.76 0.10 0.31 0.00 2.47 -1.26 -5.16 119.74 111.45 1ugj s LYS 17 Ca 0.65 0.14 -0.20 0.00 -1.56 0.00 0.00 55.97 54.99 1ugj s LYS 17 Cb -0.20 0.07 -0.09 0.00 -1.46 0.00 0.00 37.83 36.15 1ugj s LYS 17 CO 0.58 -0.15 0.83 -1.54 0.16 0.00 0.00 175.35 175.23 1ugj s SER 18 N 2.97 7.03 -0.12 1.43 1.04 -1.26 -4.94 113.70 119.85 1ugj s SER 18 Ca 0.11 1.55 0.16 0.00 0.48 0.00 0.00 55.95 58.24 1ugj s SER 18 Cb -0.05 -2.47 0.38 0.00 0.10 0.00 0.00 66.02 63.97 1ugj s SER 18 CO -0.15 -0.13 1.18 -0.46 0.98 0.00 0.00 173.24 174.66 1ugj n ASN 19 N 0.14 1.46 -0.11 7.02 6.94 -0.88 -4.78 115.26 125.05 1ugj n ASN 19 Ca 0.02 -3.12 -0.10 0.00 -0.02 0.00 0.00 54.58 51.36 1ugj n ASN 19 Cb 0.52 -0.43 -0.03 0.00 -2.36 0.00 0.00 39.78 37.49 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 0.80 0.53 0.00 -3.83 3.64 -1.92 -1.86 116.57 113.93 1ugj h LYS 20 Ca -0.07 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.12 1ugj h LYS 20 Cb 1.29 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1ugj h LYS 20 CO 0.03 0.62 -0.26 0.74 -2.27 0.00 0.00 179.45 178.31 1ugj h PHE 21 N 0.37 0.00 0.00 1.91 -1.00 -1.93 0.19 116.94 116.47 1ugj h PHE 21 Ca 0.10 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.79 1ugj h PHE 21 Cb 0.34 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 1ugj h PHE 21 CO 0.02 0.26 -0.43 0.82 -1.61 0.00 0.00 178.31 177.37 1ugj h ILE 22 N 0.00 1.01 0.10 -0.55 2.04 -1.78 -3.07 117.51 115.25 1ugj h ILE 22 Ca -0.00 -1.65 -0.25 0.00 1.00 0.00 0.00 64.86 63.96 1ugj h ILE 22 Cb 0.51 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1ugj h ILE 22 CO 0.03 0.42 -1.27 0.40 0.00 0.00 0.00 178.15 177.73 1ugj h ILE 23 N 0.00 1.09 -1.23 -0.67 1.08 -0.48 -2.70 117.51 114.60 1ugj h ILE 23 Ca -0.00 -2.38 0.37 0.00 -0.39 0.00 0.00 64.86 62.46 1ugj h ILE 23 Cb 0.94 2.73 -0.11 0.00 -3.07 0.00 0.00 36.82 37.31 1ugj h ILE 23 CO 0.06 0.66 0.80 -0.74 -0.69 0.00 0.00 178.15 178.23 1ugj h HIS 24 N -0.43 0.53 0.08 1.37 2.76 -0.65 1.39 115.15 120.20 1ugj h HIS 24 Ca -0.28 0.02 -0.30 0.00 -2.20 0.00 0.00 60.37 57.61 1ugj h HIS 24 Cb 1.65 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 30.45 1ugj h HIS 24 CO 0.14 -0.10 -1.57 -0.91 -1.30 0.00 0.00 177.93 174.18 1ugj h ASN 25 N 0.18 0.25 -0.22 3.26 2.35 -1.64 -3.12 115.58 116.64 1ugj h ASN 25 Ca 0.73 -0.40 0.02 0.00 -0.55 0.00 0.00 56.30 56.11 1ugj h ASN 25 Cb 2.22 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 40.49 1ugj h ASN 25 CO -0.34 1.34 0.15 0.00 -1.65 0.00 0.00 177.43 176.93 1ugj h ALA 26 N 0.62 1.96 0.08 -0.83 0.00 0.20 1.51 119.26 122.79 1ugj h ALA 26 Ca -0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ugj h ALA 26 Cb 1.99 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1ugj h ALA 26 CO 0.13 0.01 -0.04 -0.07 0.00 0.00 0.00 179.25 179.28 1ugj h LEU 27 N 0.20 -0.09 0.00 0.00 3.38 -0.28 -1.98 115.31 116.54 1ugj h LEU 27 Ca 0.09 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1ugj h LEU 27 Cb 0.12 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1ugj h LEU 27 CO -0.02 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 -0.02 -0.43 7.64 -0.89 0.17 113.62 115.27 1ugj n SER 28 Ca -0.08 -0.51 -0.18 0.00 1.01 0.00 0.00 58.87 59.11 1ugj n SER 28 Cb 0.30 -0.10 -0.14 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 0.25 0.00 1.43 3.86 0.22 -3.43 115.15 117.48 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 0.07 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1ugj h HIS 29 CO 0.00 1.24 0.00 0.00 0.86 0.00 0.00 177.93 180.03 1ugj n LEU 32 N -4.73 0.20 -4.59 0.00 4.77 0.13 -2.81 117.00 109.96 1ugj n LEU 32 Ca 0.38 -2.88 -0.35 0.00 -0.03 0.00 0.00 56.01 53.13 1ugj n LEU 32 Cb 1.47 0.24 -0.10 0.00 -2.33 0.00 0.00 43.42 42.70 1ugj n LEU 32 CO 0.19 1.26 -0.25 0.00 -1.33 0.00 0.00 177.39 177.26 1ugj s ALA 33 N -1.64 3.36 0.00 -1.18 0.00 -0.01 -4.51 121.76 117.78 1ugj s ALA 33 Ca 0.19 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1ugj s ALA 33 Cb 0.35 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.46 1ugj s ALA 33 CO -0.08 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1ugj n GLY 34 N 3.98 -0.11 0.11 0.00 0.00 -1.26 -4.76 105.19 103.14 1ugj n GLY 34 Ca -0.16 -1.50 -0.19 0.00 0.00 0.00 0.00 46.02 44.17 1ugj n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ugj n LYS 35 N 0.00 0.54 -0.30 1.61 0.00 -1.26 -3.58 118.16 115.17 1ugj n LYS 35 Ca 0.00 0.42 0.19 0.00 0.00 0.00 0.00 58.31 58.92 1ugj n LYS 35 Cb 0.00 -1.61 0.46 0.00 0.00 0.00 0.00 35.03 33.88 1ugj n LYS 35 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 1ugj h VAL 36 N -1.00 0.62 -0.77 3.15 -1.51 -1.99 1.45 116.25 116.21 1ugj h VAL 36 Ca -0.33 -0.17 -0.33 0.00 -1.23 0.00 0.00 66.70 64.64 1ugj h VAL 36 Cb 1.19 0.09 -0.20 0.00 -2.13 0.00 0.00 31.29 30.24 1ugj h VAL 36 CO -0.20 0.09 0.42 0.59 -1.23 0.00 0.00 177.57 177.24 1ugj n ASN 37 N -4.62 4.02 0.09 4.19 3.02 -1.26 -4.27 115.26 116.44 1ugj n ASN 37 Ca 0.23 -3.24 -0.22 0.00 -0.03 0.00 0.00 54.58 51.31 1ugj n ASN 37 Cb 0.74 -0.76 -0.14 0.00 -0.61 0.00 0.00 39.78 39.01 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 1.53 0.50 -0.04 3.52 4.81 0.20 -1.22 114.58 123.88 1ugj h GLU 38 Ca 0.41 -0.76 -0.19 0.00 -0.13 0.00 0.00 59.36 58.69 1ugj h GLU 38 Cb 2.41 0.27 0.01 0.00 0.63 0.00 0.00 28.75 32.07 1ugj h GLU 38 CO 0.82 1.35 -0.71 -1.00 -0.73 0.00 0.00 179.01 178.74 1ugj h PRO 39 N 0.04 0.55 0.33 0.92 0.13 -1.74 -3.16 132.00 129.07 1ugj h PRO 39 Ca -0.19 -0.54 -0.02 0.00 -0.87 0.00 0.00 66.00 64.38 1ugj h PRO 39 Cb 1.89 0.14 0.00 0.00 0.13 0.00 0.00 31.00 33.16 1ugj h PRO 39 CO 0.22 1.17 -0.16 0.37 -0.23 0.00 0.00 178.00 179.37 1ugj h GLN 40 N 0.15 -0.43 -0.91 0.86 4.15 -1.81 -2.73 115.11 114.40 1ugj h GLN 40 Ca -0.08 0.03 0.15 0.00 0.77 0.00 0.00 58.65 59.52 1ugj h GLN 40 Cb 1.38 0.10 -0.15 0.00 0.21 0.00 0.00 27.48 29.01 1ugj h GLN 40 CO 0.14 -0.10 -0.32 1.17 -1.93 0.00 0.00 178.83 177.79 1ugj n LYS 41 N -5.12 -0.18 -0.09 1.69 4.81 -0.46 0.19 118.16 119.00 1ugj n LYS 41 Ca -0.09 1.40 -0.06 0.00 -0.87 0.00 0.00 58.31 58.69 1ugj n LYS 41 Cb 0.27 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.24 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 -0.92 3.14 2.35 -1.54 0.60 115.58 119.07 1ugj h ASN 42 Ca 0.35 0.07 0.10 0.00 -0.55 0.00 0.00 56.30 56.27 1ugj h ASN 42 Cb 0.58 0.13 -0.08 0.00 0.05 0.00 0.00 38.32 39.00 1ugj h ASN 42 CO -0.91 -0.04 0.56 0.03 -1.65 0.00 0.00 177.43 175.42 1ugj h ARG 43 N 0.08 0.90 -0.12 0.81 2.47 0.23 0.13 114.38 118.87 1ugj h ARG 43 Ca 0.15 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.79 1ugj h ARG 43 Cb 0.21 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1ugj h ARG 43 CO -0.26 0.59 -0.05 0.82 0.56 0.00 0.00 179.97 181.63 1ugj h ILE 44 N 0.92 1.31 -0.63 2.04 1.08 0.13 0.98 117.51 123.34 1ugj h ILE 44 Ca 0.44 -1.06 0.11 0.00 -0.39 0.00 0.00 64.86 63.97 1ugj h ILE 44 Cb 0.39 1.75 -0.08 0.00 -3.07 0.00 0.00 36.82 35.81 1ugj h ILE 44 CO -0.24 0.30 0.18 -0.07 -0.69 0.00 0.00 178.15 177.63 1ugj h LEU 45 N -0.09 0.10 0.51 1.44 3.38 0.11 0.86 115.31 121.62 1ugj h LEU 45 Ca 0.03 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1ugj h LEU 45 Cb 0.50 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1ugj h LEU 45 CO 0.02 0.05 -0.24 -0.33 0.09 0.00 0.00 178.44 178.02 1ugj h GLU 46 N 0.32 -0.66 -0.94 1.13 4.39 -0.67 -0.43 114.58 117.73 1ugj h GLU 46 Ca 0.33 0.04 0.21 0.00 0.34 0.00 0.00 59.36 60.29 1ugj h GLU 46 Cb 0.48 0.15 -0.18 0.00 -0.10 0.00 0.00 28.75 29.10 1ugj h GLU 46 CO -0.38 -0.44 -0.15 0.39 -1.16 0.00 0.00 179.01 177.27 1ugj n GLU 47 N -4.44 -0.08 -0.04 2.33 -0.58 0.33 0.19 120.64 118.35 1ugj n GLU 47 Ca -0.08 1.44 -0.11 0.00 -0.42 0.00 0.00 57.16 57.99 1ugj n GLU 47 Cb 0.27 -2.20 -0.05 0.00 -0.57 0.00 0.00 31.44 28.89 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 1.15 0.00 -3.67 2.04 -0.82 1.20 117.51 117.42 1ugj h ILE 48 Ca 0.49 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 1ugj h ILE 48 Cb 0.85 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 1ugj h ILE 48 CO -0.94 0.14 -0.07 -0.33 0.00 0.00 0.00 178.15 176.96 1ugj h GLU 49 N 0.10 0.00 0.00 2.37 4.39 0.32 -1.16 114.58 120.60 1ugj h GLU 49 Ca 0.05 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.49 1ugj h GLU 49 Cb 0.17 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 1ugj h GLU 49 CO -0.00 0.07 -1.53 1.57 -1.16 0.00 0.00 179.01 177.96 1ugj h LYS 50 N 0.00 0.00 -6.52 2.33 2.10 0.29 -3.46 116.57 111.31 1ugj h LYS 50 Ca -0.00 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.12 1ugj h LYS 50 Cb 0.19 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.54 1ugj h LYS 50 CO 0.01 0.56 0.64 0.45 -2.00 0.00 0.00 179.45 179.10 1ugj s SER 51 N -6.17 6.96 -0.33 7.07 0.15 0.41 -4.90 113.70 116.88 1ugj s SER 51 Ca -0.03 2.17 0.01 0.00 0.70 0.00 0.00 55.95 58.80 1ugj s SER 51 Cb 0.08 -2.58 0.37 0.00 -1.71 0.00 0.00 66.02 62.18 1ugj s SER 51 CO 0.82 -0.55 1.75 0.29 1.20 0.00 0.00 173.24 176.74 1ugj n LYS 52 N 3.89 1.89 -3.83 5.44 4.76 -1.26 -4.89 118.16 124.17 1ugj n LYS 52 Ca 0.10 -1.96 -0.21 0.00 -2.87 0.00 0.00 58.31 53.38 1ugj n LYS 52 Cb 0.44 -1.77 -0.02 0.00 -1.84 0.00 0.00 35.03 31.84 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 -2.20 3.94 -0.23 7.82 0.00 -1.26 -5.02 121.76 124.81 1ugj s ALA 53 Ca 0.38 -1.40 0.07 0.00 0.00 0.00 0.00 51.96 51.00 1ugj s ALA 53 Cb 0.31 -1.54 -0.08 0.00 0.00 0.00 0.00 23.12 21.81 1ugj s ALA 53 CO 0.04 0.12 0.24 0.27 0.00 0.00 0.00 175.76 176.44 1ugj n ASN 54 N -1.43 1.22 -4.43 0.00 0.23 -1.26 -4.96 115.26 104.64 1ugj n ASN 54 Ca -0.05 -0.47 -0.33 0.00 -0.53 0.00 0.00 54.58 53.20 1ugj n ASN 54 Cb 0.58 1.09 -0.13 0.00 -2.08 0.00 0.00 39.78 39.24 1ugj n ASN 54 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1ugj s HIS 55 N -1.87 2.93 -0.09 -2.53 2.46 -1.26 -2.08 115.29 112.84 1ugj s HIS 55 Ca 0.01 -0.50 -0.03 0.00 0.47 0.00 0.00 55.06 55.01 1ugj s HIS 55 Cb 0.05 -1.93 0.04 0.00 -0.13 0.00 0.00 32.58 30.62 1ugj s HIS 55 CO 0.28 -0.16 0.10 -0.06 -2.47 0.00 0.00 174.74 172.43 1ugj s PHE 56 N 0.47 0.01 0.39 3.88 0.08 -1.26 -3.12 117.98 118.42 1ugj s PHE 56 Ca -0.06 0.21 0.08 0.00 0.12 0.00 0.00 56.93 57.28 1ugj s PHE 56 Cb -0.15 -0.47 -0.02 0.00 -0.57 0.00 0.00 43.02 41.81 1ugj s PHE 56 CO 0.04 -0.31 0.37 -0.51 -0.10 0.00 0.00 175.22 174.71 1ugj s LEU 57 N 2.20 3.52 -0.13 -0.37 1.02 0.98 -4.82 118.68 121.08 1ugj s LEU 57 Ca 0.04 -0.60 0.01 0.00 0.02 0.00 0.00 54.13 53.60 1ugj s LEU 57 Cb -0.13 -2.20 0.02 0.00 0.02 0.00 0.00 46.19 43.89 1ugj s LEU 57 CO -0.06 -0.55 -0.16 -0.63 0.02 0.00 0.00 176.35 174.97 1ugj s ILE 58 N -2.39 1.66 0.04 -0.59 1.01 -1.26 -1.89 121.20 117.78 1ugj s ILE 58 Ca 0.46 -0.72 -0.24 0.00 0.00 0.00 0.00 60.65 60.15 1ugj s ILE 58 Cb -0.05 -1.52 -0.06 0.00 0.01 0.00 0.00 42.46 40.85 1ugj s ILE 58 CO 0.28 0.47 0.71 -0.22 0.00 0.00 0.00 174.94 176.19 1ugj s LEU 59 N 1.11 4.45 0.26 2.97 2.96 0.19 -2.94 118.68 127.69 1ugj s LEU 59 Ca -0.03 1.37 0.11 0.00 -0.22 0.00 0.00 54.13 55.36 1ugj s LEU 59 Cb -0.14 -3.14 -0.05 0.00 0.50 0.00 0.00 46.19 43.36 1ugj s LEU 59 CO -0.05 0.06 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.55 1ugj s PHE 60 N -0.17 2.46 -0.18 5.38 0.08 -1.25 0.77 117.98 125.06 1ugj s PHE 60 Ca 0.36 -0.29 -0.04 0.00 0.12 0.00 0.00 56.93 57.08 1ugj s PHE 60 Cb -0.20 -1.10 -0.08 0.00 -0.57 0.00 0.00 43.02 41.07 1ugj s PHE 60 CO 0.21 0.65 3.02 -2.13 -0.10 0.00 0.00 175.22 176.88 1ugj n ARG 61 N -0.58 2.02 -2.27 0.44 3.00 -1.26 -4.79 116.66 113.22 1ugj n ARG 61 Ca -0.07 -1.41 0.00 0.00 -0.00 0.00 0.00 57.85 56.38 1ugj n ARG 61 Cb 0.59 -1.91 0.00 0.00 0.00 0.00 0.00 32.46 31.14 1ugj n ARG 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1ugj n ASP 62 N 1.65 -9.32 -3.57 6.15 8.00 -1.26 -3.97 116.55 114.22 1ugj n ASP 62 Ca 0.39 1.71 -0.23 0.00 0.71 0.00 0.00 54.79 57.38 1ugj n ASP 62 Cb 0.72 -5.18 -0.04 0.00 -0.02 0.00 0.00 41.12 36.59 1ugj n ASP 62 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ugj n SER 63 N 1.91 -1.45 -0.10 -2.24 7.64 -1.26 -4.71 113.62 113.41 1ugj n SER 63 Ca 0.00 -0.42 -0.15 0.00 1.01 0.00 0.00 58.87 59.31 1ugj n SER 63 Cb 0.00 -1.32 -0.09 0.00 -1.01 0.00 0.00 64.21 61.79 1ugj n SER 63 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ugj n SER 64 N -2.00 2.28 0.00 6.43 2.88 -1.25 -4.99 113.62 116.96 1ugj n SER 64 Ca 0.06 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1ugj n SER 64 Cb 0.47 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 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 0.00 0.39 -1.53 0.00 6.02 -1.26 -4.73 117.38 116.27 1ugj n GLN 66 Ca 0.00 0.13 -0.54 0.00 -0.01 0.00 0.00 57.00 56.58 1ugj n GLN 66 Cb 0.00 -1.76 -0.06 0.00 1.02 0.00 0.00 30.24 29.43 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 6.45 0.86 -0.04 1.08 -0.00 -1.12 -4.15 117.46 120.53 1ugj n PHE 67 Ca 0.40 0.87 -0.04 0.00 -0.00 0.00 0.00 57.45 58.68 1ugj n PHE 67 Cb 0.03 -2.17 -0.04 0.00 -0.00 0.00 0.00 39.48 37.29 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 1.75 1.66 -3.65 -4.13 5.12 0.23 -4.96 116.66 112.68 1ugj n ARG 68 Ca 0.18 0.02 -0.03 0.00 -1.93 0.00 0.00 57.85 56.10 1ugj n ARG 68 Cb 0.16 -1.16 -0.06 0.00 -1.16 0.00 0.00 32.46 30.24 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 -2.16 -2.19 0.27 7.54 0.00 -1.17 -4.33 121.76 119.72 1ugj s ALA 69 Ca -0.07 1.73 -0.06 0.00 0.00 0.00 0.00 51.96 53.57 1ugj s ALA 69 Cb 0.02 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 21.39 1ugj s ALA 69 CO 0.22 -0.14 0.54 -1.17 0.00 0.00 0.00 175.76 175.22 1ugj s LEU 70 N -0.24 4.08 0.04 0.00 2.96 -1.07 0.55 118.68 125.00 1ugj s LEU 70 Ca 0.08 0.74 -0.09 0.00 -0.22 0.00 0.00 54.13 54.63 1ugj s LEU 70 Cb -0.04 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.11 1ugj s LEU 70 CO -0.13 -0.16 0.19 -0.31 -1.32 0.00 0.00 176.35 174.61 1ugj s TYR 71 N -2.02 0.06 -0.16 5.38 1.51 -0.79 -2.83 117.35 118.49 1ugj s TYR 71 Ca 0.44 -0.27 -0.04 0.00 -1.01 0.00 0.00 57.07 56.20 1ugj s TYR 71 Cb -0.11 -0.04 -0.03 0.00 -0.11 0.00 0.00 41.96 41.68 1ugj s TYR 71 CO 0.28 -0.41 -0.03 0.95 -1.11 0.00 0.00 175.55 175.23 1ugj s THR 72 N -2.44 3.92 0.02 -0.71 -4.23 0.08 -0.01 115.64 112.26 1ugj s THR 72 Ca -0.06 -0.35 -0.25 0.00 -1.18 0.00 0.00 61.69 59.85 1ugj s THR 72 Cb -0.02 -2.72 -0.05 0.00 1.34 0.00 0.00 72.50 71.05 1ugj s THR 72 CO -0.03 0.49 0.77 -0.22 -0.54 0.00 0.00 174.62 175.09 1ugj s LEU 73 N 0.37 4.41 -0.25 4.79 2.96 -1.18 0.24 118.68 130.02 1ugj s LEU 73 Ca -0.04 1.41 -0.27 0.00 -0.22 0.00 0.00 54.13 55.01 1ugj s LEU 73 Cb -0.14 -3.23 0.01 0.00 0.50 0.00 0.00 46.19 43.32 1ugj s LEU 73 CO 0.03 -0.04 0.96 -0.44 -1.32 0.00 0.00 176.35 175.54 1ugj s SER 74 N 0.22 6.96 0.47 3.68 0.01 0.04 -4.61 113.70 120.47 1ugj s SER 74 Ca 0.40 1.18 0.31 0.00 1.31 0.00 0.00 55.95 59.15 1ugj s SER 74 Cb -0.20 -2.50 1.30 0.00 0.21 0.00 0.00 66.02 64.83 1ugj s SER 74 CO 0.22 -0.64 1.92 1.23 0.41 0.00 0.00 173.24 176.38 1ugj h GLY 75 N 9.44 0.00 1.92 3.44 0.00 -1.95 -2.41 103.07 113.50 1ugj h GLY 75 Ca -0.21 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.97 1ugj h GLY 75 CO 0.95 0.00 -0.69 1.05 0.00 0.00 0.00 176.54 177.84 1ugj h GLU 76 N 0.00 0.08 0.00 4.80 9.09 -1.95 -3.47 114.58 123.13 1ugj h GLU 76 Ca 0.00 -0.07 0.00 0.00 0.05 0.00 0.00 59.36 59.34 1ugj h GLU 76 Cb 0.44 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.55 1ugj h GLU 76 CO 0.00 0.74 0.00 0.25 0.05 0.00 0.00 179.01 180.05 1ugj n THR 77 N -3.75 0.00 -0.13 -1.06 -2.24 -0.91 -5.06 114.28 101.14 1ugj n THR 77 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1ugj n THR 77 Cb 0.68 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 1ugj n THR 77 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ugj n GLU 78 N 0.00 -0.82 -2.08 -0.78 1.02 -1.26 -4.70 120.64 112.03 1ugj n GLU 78 Ca 0.00 -0.43 -0.29 0.00 -0.02 0.00 0.00 57.16 56.42 1ugj n GLU 78 Cb 0.00 -0.93 0.03 0.00 -0.02 0.00 0.00 31.44 30.52 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 -0.01 3.07 0.09 3.49 8.01 -1.26 -4.38 118.70 127.70 1ugj s GLU 79 Ca 0.00 0.37 0.01 0.00 0.01 0.00 0.00 54.97 55.36 1ugj s GLU 79 Cb 0.00 -2.13 0.01 0.00 -4.31 0.00 0.00 34.13 27.70 1ugj s GLU 79 CO 0.00 -0.79 0.06 1.28 0.01 0.00 0.00 175.26 175.82 1ugj n LEU 80 N -2.79 0.00 -3.71 1.80 4.77 0.77 -0.78 117.00 117.07 1ugj n LEU 80 Ca 0.06 -0.47 -0.12 0.00 -0.03 0.00 0.00 56.01 55.45 1ugj n LEU 80 Cb 0.57 -0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.55 1ugj n LEU 80 CO 0.56 -0.29 0.06 -0.55 -1.33 0.00 0.00 177.39 175.84 1ugj s SER 81 N -1.52 -0.48 -0.45 -1.43 0.15 0.14 -3.86 113.70 106.25 1ugj s SER 81 Ca 0.05 0.86 -0.27 0.00 0.70 0.00 0.00 55.95 57.28 1ugj s SER 81 Cb -0.00 0.79 -0.03 0.00 -1.71 0.00 0.00 66.02 65.07 1ugj s SER 81 CO 0.03 -0.17 1.90 -0.60 1.20 0.00 0.00 173.24 175.60 1ugj s ARG 82 N 0.92 2.92 -0.09 5.44 3.52 0.29 -0.74 118.95 131.21 1ugj s ARG 82 Ca -0.06 1.12 -0.00 0.00 -0.13 0.00 0.00 55.73 56.66 1ugj s ARG 82 Cb -0.06 -4.32 -0.00 0.00 -1.56 0.00 0.00 34.95 29.01 1ugj s ARG 82 CO -0.07 -2.36 -0.01 1.25 -0.81 0.00 0.00 175.30 173.30 1ugj h LEU 83 N 15.44 0.00 -7.97 -0.88 5.85 -1.86 -3.48 115.31 122.41 1ugj h LEU 83 Ca -0.30 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.36 1ugj h LEU 83 Cb 1.18 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.10 1ugj h LEU 83 CO 1.12 0.46 -0.16 0.00 -0.34 0.00 0.00 178.44 179.52 1ugj s ALA 84 N -2.61 -0.38 0.00 1.25 0.00 -1.18 -5.05 121.76 113.79 1ugj s ALA 84 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1ugj s ALA 84 Cb 0.00 0.90 0.00 0.00 0.00 0.00 0.00 23.12 24.02 1ugj s ALA 84 CO 0.01 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.44 1ugj n GLY 85 N -0.29 0.59 3.25 0.00 0.00 -1.26 -2.61 105.19 104.88 1ugj n GLY 85 Ca -0.07 -1.18 0.03 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.32 -1.09 1.61 6.14 -1.26 -5.07 117.35 117.36 1ugj s TYR 86 Ca 0.00 0.53 0.00 0.00 0.64 0.00 0.00 57.07 58.24 1ugj s TYR 86 Cb 0.00 0.18 0.00 0.00 0.42 0.00 0.00 41.96 42.56 1ugj s TYR 86 CO 0.00 -0.16 0.00 0.41 0.64 0.00 0.00 175.55 176.44 1ugj n GLY 87 N 4.81 -0.75 3.69 8.97 0.00 -1.26 -4.84 105.19 115.81 1ugj n GLY 87 Ca -0.07 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.43 4.36 0.32 1.61 0.04 -1.26 -4.89 135.00 134.75 1ugj s PRO 88 Ca 0.00 1.71 0.14 0.00 0.04 0.00 0.00 61.00 62.89 1ugj s PRO 88 Cb 0.00 -3.52 1.08 0.00 0.04 0.00 0.00 34.50 32.10 1ugj s PRO 88 CO 0.00 -0.42 1.44 -2.13 0.04 0.00 0.00 177.00 175.93 1ugj n ARG 89 N 4.97 -0.06 -4.24 4.56 0.63 -1.26 -4.42 116.66 116.84 1ugj n ARG 89 Ca 0.11 1.29 -0.14 0.00 -0.92 0.00 0.00 57.85 58.19 1ugj n ARG 89 Cb 0.46 -2.24 -0.10 0.00 0.45 0.00 0.00 32.46 31.03 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 -5.53 0.30 -0.03 5.15 2.01 -1.26 -0.55 115.64 115.73 1ugj s THR 90 Ca -0.09 -1.99 -0.01 0.00 0.31 0.00 0.00 61.69 59.91 1ugj s THR 90 Cb 0.30 -2.46 0.02 0.00 0.01 0.00 0.00 72.50 70.37 1ugj s THR 90 CO 0.71 -0.11 0.06 -0.69 -0.69 0.00 0.00 174.62 173.91 1ugj s VAL 91 N -3.94 -0.03 0.30 3.82 1.01 -1.25 -4.95 120.40 115.35 1ugj s VAL 91 Ca 0.35 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.53 1ugj s VAL 91 Cb 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.31 1ugj s VAL 91 CO 0.11 0.05 0.23 0.42 0.00 0.00 0.00 175.10 175.91 1ugj s THR 92 N 0.69 3.92 -1.36 3.92 -4.23 -1.26 -0.16 115.64 117.15 1ugj s THR 92 Ca -0.06 -1.42 0.23 0.00 -1.18 0.00 0.00 61.69 59.26 1ugj s THR 92 Cb -0.08 -3.26 0.36 0.00 1.34 0.00 0.00 72.50 70.86 1ugj s THR 92 CO -0.02 -0.26 1.73 -0.81 -0.54 0.00 0.00 174.62 174.72 1ugj n PRO 93 N -1.26 0.27 0.00 3.99 -0.04 -1.26 -2.00 135.00 134.69 1ugj n PRO 93 Ca -0.05 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.61 1ugj n PRO 93 Cb 0.59 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.79 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 -1.32 3.59 -0.04 0.55 0.00 -1.26 -3.86 120.51 118.16 1ugj n ALA 94 Ca 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1ugj n ALA 94 Cb 0.19 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.50 1.00 -2.04 0.00 2.81 -0.85 -4.95 117.12 111.59 1ugj n MET 95 Ca 0.05 -0.08 -0.42 0.00 -1.81 0.00 0.00 57.70 55.44 1ugj n MET 95 Cb 0.33 -1.40 -0.03 0.00 -0.71 0.00 0.00 33.22 31.42 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 -2.76 3.26 -0.15 2.03 0.11 -1.08 0.13 120.40 121.94 1ugj s VAL 96 Ca -0.07 0.71 -0.18 0.00 -2.93 0.00 0.00 61.98 59.51 1ugj s VAL 96 Cb 0.08 -3.46 -0.15 0.00 -1.53 0.00 0.00 36.38 31.32 1ugj s VAL 96 CO 0.66 0.00 0.29 -0.08 -3.33 0.00 0.00 175.10 172.64 1ugj h GLU 97 N 8.02 0.00 -4.68 1.54 4.81 0.04 -3.45 114.58 120.86 1ugj h GLU 97 Ca -0.41 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.58 1ugj h GLU 97 Cb 1.19 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.41 1ugj h GLU 97 CO 0.92 0.64 -0.71 0.20 -0.73 0.00 0.00 179.01 179.33 1ugj s GLY 98 N -4.30 0.74 0.10 1.92 0.00 -1.18 -4.96 107.32 99.63 1ugj s GLY 98 Ca -0.18 -1.23 0.05 0.00 0.00 0.00 0.00 44.72 43.36 1ugj s GLY 98 CO 0.45 -1.32 -0.13 -0.26 0.00 0.00 0.00 173.10 171.84 1ugj s ILE 99 N -3.09 1.14 0.07 0.90 -4.36 -1.26 -2.01 121.20 112.60 1ugj s ILE 99 Ca 0.07 -1.53 -0.06 0.00 -0.26 0.00 0.00 60.65 58.87 1ugj s ILE 99 Cb 0.02 -1.30 -0.02 0.00 1.25 0.00 0.00 42.46 42.41 1ugj s ILE 99 CO -0.03 -0.38 0.11 -0.31 0.24 0.00 0.00 174.94 174.57 1ugj s TYR 100 N -1.87 0.29 0.54 1.37 1.51 0.06 -1.51 117.35 117.74 1ugj s TYR 100 Ca 0.04 -0.76 0.02 0.00 -1.01 0.00 0.00 57.07 55.36 1ugj s TYR 100 Cb -0.06 -0.18 0.02 0.00 -0.11 0.00 0.00 41.96 41.62 1ugj s TYR 100 CO 0.02 -0.48 0.18 -1.59 -1.11 0.00 0.00 175.55 172.57 1ugj s LYS 101 N -3.85 2.23 -0.23 -0.62 0.00 0.17 0.19 119.74 117.64 1ugj s LYS 101 Ca 0.05 -2.29 0.01 0.00 0.00 0.00 0.00 55.97 53.75 1ugj s LYS 101 Cb 0.06 -1.76 0.04 0.00 0.00 0.00 0.00 37.83 36.16 1ugj s LYS 101 CO -0.10 -0.53 -0.13 -0.47 0.00 0.00 0.00 175.35 174.11 1ugj s TYR 102 N -2.86 3.03 -0.70 1.78 6.14 -1.26 -2.52 117.35 120.96 1ugj s TYR 102 Ca 0.14 -1.86 -0.27 0.00 0.64 0.00 0.00 57.07 55.72 1ugj s TYR 102 Cb -0.01 -1.96 0.02 0.00 0.42 0.00 0.00 41.96 40.43 1ugj s TYR 102 CO 0.09 -0.81 1.43 -0.80 0.64 0.00 0.00 175.55 176.10 1ugj s ASN 103 N 1.23 5.94 0.00 4.32 0.01 0.33 -4.80 114.94 121.97 1ugj s ASN 103 Ca -0.01 -0.22 0.08 0.00 -0.71 0.00 0.00 52.86 52.00 1ugj s ASN 103 Cb -0.16 -2.55 0.30 0.00 0.41 0.00 0.00 41.25 39.24 1ugj s ASN 103 CO -0.08 -1.96 1.22 -1.20 -1.51 0.00 0.00 177.10 173.57 1ugj n SER 104 N 10.21 0.92 -0.04 -1.22 7.64 -1.26 -0.33 113.62 129.54 1ugj n SER 104 Ca 0.08 -1.92 -0.06 0.00 1.01 0.00 0.00 58.87 57.97 1ugj n SER 104 Cb 0.50 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.56 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 -0.03 2.54 -0.05 6.43 9.92 -1.26 -4.64 116.55 129.45 1ugj n ASP 105 Ca 0.08 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.45 1ugj n ASP 105 Cb 0.16 -0.16 0.05 0.00 -0.64 0.00 0.00 41.12 40.53 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 -2.92 0.13 -3.25 -1.24 1.74 -1.24 -4.96 116.66 104.93 1ugj n ARG 106 Ca -0.14 -0.10 -0.21 0.00 -0.77 0.00 0.00 57.85 56.62 1ugj n ARG 106 Cb 0.64 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.63 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 -1.35 -6.04 -2.01 5.56 5.02 0.55 -4.98 118.16 114.92 1ugj n LYS 107 Ca 0.05 0.80 -0.00 0.00 -2.02 0.00 0.00 58.31 57.14 1ugj n LYS 107 Cb 0.34 -5.57 -0.00 0.00 -0.02 0.00 0.00 35.03 29.78 1ugj n LYS 107 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ugj n ARG 108 N -4.23 0.70 -5.09 1.97 1.74 -1.05 -4.98 116.66 105.72 1ugj n ARG 108 Ca -0.04 -0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.71 1ugj n ARG 108 Cb 0.58 0.01 -0.15 0.00 -1.02 0.00 0.00 32.46 31.88 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 -1.65 2.43 0.22 -1.55 0.40 -1.26 -0.51 117.98 116.05 1ugj s PHE 109 Ca 0.00 -0.36 0.05 0.00 -0.60 0.00 0.00 56.93 56.02 1ugj s PHE 109 Cb 0.00 -1.50 -0.05 0.00 0.51 0.00 0.00 43.02 41.98 1ugj s PHE 109 CO 0.00 0.06 -0.06 0.99 0.70 0.00 0.00 175.22 176.91 1ugj s THR 110 N -0.70 1.35 0.25 0.64 2.01 -1.05 -4.92 115.64 113.22 1ugj s THR 110 Ca 0.11 -2.09 0.06 0.00 0.31 0.00 0.00 61.69 60.07 1ugj s THR 110 Cb -0.10 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 1ugj s THR 110 CO 0.00 -0.44 0.33 -1.58 -0.69 0.00 0.00 174.62 172.24 1ugj s GLN 111 N -3.77 3.30 -0.09 4.92 -0.44 -1.26 0.42 119.66 122.74 1ugj s GLN 111 Ca 0.25 -0.85 -0.06 0.00 -2.50 0.00 0.00 55.36 52.21 1ugj s GLN 111 Cb 0.03 -2.81 -0.04 0.00 -1.64 0.00 0.00 33.01 28.55 1ugj s GLN 111 CO 0.08 0.39 0.15 0.42 0.50 0.00 0.00 175.29 176.83 1ugj s ILE 112 N -2.03 5.46 -1.52 -2.34 -1.09 -0.57 -4.70 121.20 114.42 1ugj s ILE 112 Ca 0.35 0.10 0.23 0.00 -2.23 0.00 0.00 60.65 59.10 1ugj s ILE 112 Cb -0.09 -3.42 0.44 0.00 -1.58 0.00 0.00 42.46 37.81 1ugj s ILE 112 CO 0.28 0.54 1.75 -0.81 -1.23 0.00 0.00 174.94 175.48 1ugj n PRO 113 N 1.72 0.39 -4.51 2.79 -0.04 -1.26 -4.75 135.00 129.34 1ugj n PRO 113 Ca -0.18 0.06 -0.25 0.00 -0.04 0.00 0.00 63.50 63.09 1ugj n PRO 113 Cb 0.54 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 1ugj n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ugj s ALA 114 N -2.48 2.84 -1.85 0.55 0.00 -1.26 -5.03 121.76 114.53 1ugj s ALA 114 Ca 0.24 -2.00 0.16 0.00 0.00 0.00 0.00 51.96 50.36 1ugj s ALA 114 Cb 0.15 -0.12 0.19 0.00 0.00 0.00 0.00 23.12 23.35 1ugj s ALA 114 CO 0.34 0.15 1.08 1.63 0.00 0.00 0.00 175.76 178.95 1ugj n LYS 115 N -0.71 1.54 -3.06 0.00 5.02 -1.26 -4.58 118.16 115.11 1ugj n LYS 115 Ca -0.05 -1.62 -0.21 0.00 -2.02 0.00 0.00 58.31 54.41 1ugj n LYS 115 Cb 0.62 -1.32 0.01 0.00 -0.02 0.00 0.00 35.03 34.32 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 -1.26 3.65 0.64 -0.18 2.01 -1.26 -4.90 115.64 114.36 1ugj s THR 116 Ca 0.22 -0.73 -0.14 0.00 0.31 0.00 0.00 61.69 61.35 1ugj s THR 116 Cb 0.14 -3.31 -0.01 0.00 0.01 0.00 0.00 72.50 69.32 1ugj s THR 116 CO 0.20 -0.18 1.06 -0.04 -0.69 0.00 0.00 174.62 174.98 1ugj s MET 117 N -4.46 3.08 -0.24 4.92 -1.94 -1.26 -4.99 119.30 114.40 1ugj s MET 117 Ca 0.50 1.13 -0.32 0.00 -1.71 0.00 0.00 55.69 55.29 1ugj s MET 117 Cb -0.10 -2.00 0.16 0.00 2.01 0.00 0.00 34.83 34.90 1ugj s MET 117 CO 0.35 -1.00 1.26 -1.54 -0.01 0.00 0.00 175.02 174.09 1ugj s SER 118 N -3.15 -0.11 0.22 3.03 1.04 -1.26 -4.99 113.70 108.48 1ugj s SER 118 Ca 0.62 0.07 0.15 0.00 0.48 0.00 0.00 55.95 57.27 1ugj s SER 118 Cb -0.16 0.10 0.82 0.00 0.10 0.00 0.00 66.02 66.89 1ugj s SER 118 CO 0.45 -0.14 1.47 0.23 0.98 0.00 0.00 173.24 176.23 1ugj n MET 119 N 0.28 0.10 -0.84 4.02 2.81 -1.26 -1.49 117.12 120.74 1ugj n MET 119 Ca -0.01 0.59 -0.17 0.00 -1.81 0.00 0.00 57.70 56.30 1ugj n MET 119 Cb 0.58 -1.82 0.08 0.00 -0.71 0.00 0.00 33.22 31.35 1ugj n MET 119 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1ugj n SER 120 N -2.03 4.87 -4.17 7.83 7.64 -1.26 -4.85 113.62 121.65 1ugj n SER 120 Ca -0.01 -3.07 -0.24 0.00 1.01 0.00 0.00 58.87 56.57 1ugj n SER 120 Cb 0.03 -0.85 -0.15 0.00 -1.01 0.00 0.00 64.21 62.24 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 -2.34 1.34 0.00 0.44 1.01 -0.56 -4.17 120.40 116.12 1ugj s VAL 121 Ca 0.36 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1ugj s VAL 121 Cb 0.29 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.54 1ugj s VAL 121 CO 0.03 0.29 0.92 0.47 0.00 0.00 0.00 175.10 176.82 1ugj n ASP 122 N 2.42 0.00 -3.64 3.32 9.92 0.51 -4.84 116.55 124.24 1ugj n ASP 122 Ca -0.15 -1.85 -0.02 0.00 -0.53 0.00 0.00 54.79 52.23 1ugj n ASP 122 Cb 0.54 -0.17 -0.04 0.00 -0.64 0.00 0.00 41.12 40.81 1ugj n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ugj s ALA 123 N 0.00 -2.12 -0.05 2.24 0.00 -0.72 -4.16 121.76 116.96 1ugj s ALA 123 Ca 0.00 1.89 -0.30 0.00 0.00 0.00 0.00 51.96 53.55 1ugj s ALA 123 Cb 0.00 -1.50 0.08 0.00 0.00 0.00 0.00 23.12 21.70 1ugj s ALA 123 CO 0.00 -0.24 0.73 -0.59 0.00 0.00 0.00 175.76 175.66 1ugj s PHE 124 N -1.03 -0.60 -0.10 0.00 -0.71 -1.15 -0.76 117.98 113.64 1ugj s PHE 124 Ca 0.09 0.96 0.00 0.00 -1.04 0.00 0.00 56.93 56.94 1ugj s PHE 124 Cb -0.01 0.43 0.02 0.00 -1.21 0.00 0.00 43.02 42.26 1ugj s PHE 124 CO -0.08 -0.58 -0.08 0.95 -1.34 0.00 0.00 175.22 174.09 1ugj s THR 125 N -1.43 1.00 0.68 -4.49 -4.23 -0.85 -3.77 115.64 102.54 1ugj s THR 125 Ca -0.08 -0.29 -0.13 0.00 -1.18 0.00 0.00 61.69 60.00 1ugj s THR 125 Cb -0.00 -1.00 0.01 0.00 1.34 0.00 0.00 72.50 72.84 1ugj s THR 125 CO 0.06 0.36 1.08 0.27 -0.54 0.00 0.00 174.62 175.85 1ugj s ILE 126 N 1.52 3.63 1.00 2.99 -4.36 -1.26 0.71 121.20 125.42 1ugj s ILE 126 Ca 0.01 0.64 -0.17 0.00 -0.26 0.00 0.00 60.65 60.87 1ugj s ILE 126 Cb -0.13 -3.21 -0.13 0.00 1.25 0.00 0.00 42.46 40.23 1ugj s ILE 126 CO -0.06 -0.58 -0.75 0.00 0.24 0.00 0.00 174.94 173.79 1ugj n GLN 127 N -2.78 -0.04 0.13 0.37 1.13 0.34 -4.57 117.38 111.96 1ugj n GLN 127 Ca 0.09 -0.01 -0.24 0.00 -1.94 0.00 0.00 57.00 54.90 1ugj n GLN 127 Cb 0.53 -1.08 -0.15 0.00 0.11 0.00 0.00 30.24 29.65 1ugj n GLN 127 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1ugj h GLY 128 N -1.06 0.63 0.42 1.08 0.00 -1.93 -3.26 103.07 98.95 1ugj h GLY 128 Ca -0.44 -1.51 0.17 0.00 0.00 0.00 0.00 47.33 45.55 1ugj h GLY 128 CO 0.24 1.33 0.58 1.12 0.00 0.00 0.00 176.54 179.81 1ugj h HIS 129 N 0.14 0.70 -0.28 5.60 2.07 -1.90 0.15 115.15 121.62 1ugj h HIS 129 Ca -0.23 0.02 0.04 0.00 -2.85 0.00 0.00 60.37 57.35 1ugj h HIS 129 Cb 2.07 -0.22 -0.04 0.00 2.57 0.00 0.00 27.41 31.79 1ugj h HIS 129 CO 0.13 0.22 0.04 -0.07 -3.07 0.00 0.00 177.93 175.19 1ugj h LEU 130 N 0.56 -0.01 0.48 6.12 3.38 -1.83 -3.05 115.31 120.96 1ugj h LEU 130 Ca 0.46 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.45 1ugj h LEU 130 Cb 0.92 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1ugj h LEU 130 CO -0.20 0.03 -0.23 -0.50 0.09 0.00 0.00 178.44 177.63 1ugj h TRP 131 N 0.14 -0.60 -1.34 1.13 4.06 -0.97 -3.41 115.95 114.97 1ugj h TRP 131 Ca 0.13 -0.01 -0.52 0.00 2.06 0.00 0.00 58.89 60.55 1ugj h TRP 131 Cb 0.14 0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.49 1ugj h TRP 131 CO -0.17 -0.37 1.61 1.04 -3.56 0.00 0.00 178.44 176.98 1ugj n GLN 132 N -4.30 1.02 -0.92 0.49 1.13 0.27 -4.55 117.38 110.52 1ugj n GLN 132 Ca -0.08 0.12 0.12 0.00 -1.94 0.00 0.00 57.00 55.21 1ugj n GLN 132 Cb 0.26 -2.97 -0.05 0.00 0.11 0.00 0.00 30.24 27.58 1ugj n GLN 132 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1ugj n SER 133 N 13.61 -5.42 -3.46 1.08 2.88 -1.26 -4.75 113.62 116.30 1ugj n SER 133 Ca 0.41 0.73 -0.20 0.00 -1.33 0.00 0.00 58.87 58.48 1ugj n SER 133 Cb 0.41 -3.04 -0.05 0.00 -0.75 0.00 0.00 64.21 60.78 1ugj n SER 133 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1ugj n LYS 134 N -3.62 0.83 -1.77 -1.46 0.00 -1.26 -4.67 118.16 106.21 1ugj n LYS 134 Ca -0.03 -2.55 0.00 0.00 -0.00 0.00 0.00 58.31 55.72 1ugj n LYS 134 Cb 0.43 1.13 0.00 0.00 -0.00 0.00 0.00 35.03 36.59 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 -0.75 -4.86 -3.51 -1.58 4.76 -1.26 -5.08 118.16 105.88 1ugj n LYS 135 Ca -0.08 3.50 -0.17 0.00 -2.87 0.00 0.00 58.31 58.69 1ugj n LYS 135 Cb 0.45 -3.81 -0.06 0.00 -1.84 0.00 0.00 35.03 29.78 1ugj n LYS 135 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1ugj s SER 136 N -1.47 -0.63 -0.67 4.39 1.04 -1.26 -5.09 113.70 110.01 1ugj s SER 136 Ca 0.00 0.63 -0.33 0.00 0.48 0.00 0.00 55.95 56.72 1ugj s SER 136 Cb 0.00 0.53 -0.18 0.00 0.10 0.00 0.00 66.02 66.47 1ugj s SER 136 CO 0.00 -0.63 2.16 0.61 0.98 0.00 0.00 173.24 176.36 1ugj n GLY 137 N 0.77 -0.29 3.00 7.32 0.00 -1.26 -4.71 105.19 110.02 1ugj n GLY 137 Ca -0.18 1.02 -0.42 0.00 0.00 0.00 0.00 46.02 46.44 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 7.15 2.17 -0.05 1.61 -0.04 -1.26 -4.54 135.00 140.05 1ugj n PRO 138 Ca 0.54 -2.28 -0.03 0.00 -0.04 0.00 0.00 63.50 61.69 1ugj n PRO 138 Cb -0.00 -3.15 -0.01 0.00 -0.04 0.00 0.00 33.50 30.29 1ugj n PRO 138 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ugj n SER 139 N 7.36 1.24 -2.80 3.54 7.64 -1.26 -5.07 113.62 124.27 1ugj n SER 139 Ca 0.50 0.51 -0.02 0.00 1.01 0.00 0.00 58.87 60.87 1ugj n SER 139 Cb 0.41 -0.75 -0.02 0.00 -1.01 0.00 0.00 64.21 62.84 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 -3.87 -4.98 -0.57 6.43 2.88 -1.26 -5.32 113.62 106.93 1ugj n SER 140 Ca -0.05 1.19 0.14 0.00 -1.33 0.00 0.00 58.87 58.81 1ugj n SER 140 Cb 0.19 -4.19 0.44 0.00 -0.75 0.00 0.00 64.21 59.90 1ugj n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42