#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 -0.46 0.50 1.61 1.04 -1.26 -5.14 113.70 109.99 1ugj s SER 2 Ca 0.00 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.31 1ugj s SER 2 Cb 0.00 0.90 0.00 0.00 0.10 0.00 0.00 66.02 67.02 1ugj s SER 2 CO 0.00 -0.15 0.00 -0.24 0.98 0.00 0.00 173.24 173.83 1ugj n SER 3 N 2.27 -7.66 -4.47 7.02 2.88 -1.26 -4.79 113.62 107.61 1ugj n SER 3 Ca -0.13 1.37 -0.47 0.00 -1.33 0.00 0.00 58.87 58.31 1ugj n SER 3 Cb 0.56 -4.28 -0.02 0.00 -0.75 0.00 0.00 64.21 59.71 1ugj n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugj n GLY 4 N -1.63 -1.23 3.52 0.46 0.00 -1.26 -4.81 105.19 100.24 1ugj n GLY 4 Ca 0.00 0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.92 1ugj n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ugj s SER 5 N -0.84 6.75 0.34 1.61 0.15 -1.26 -4.89 113.70 115.55 1ugj s SER 5 Ca 0.62 -2.19 0.00 0.00 0.70 0.00 0.00 55.95 55.08 1ugj s SER 5 Cb -0.84 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 60.97 1ugj s SER 5 CO 0.58 -1.15 0.00 -0.24 1.20 0.00 0.00 173.24 173.62 1ugj n SER 6 N 7.52 -1.49 -3.43 5.45 2.88 -1.26 -4.98 113.62 118.31 1ugj n SER 6 Ca 0.36 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.52 1ugj n SER 6 Cb 0.47 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.97 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 0.00 0.19 2.95 0.46 0.00 -1.26 -4.94 105.19 102.59 1ugj n GLY 7 Ca 0.00 1.11 -0.24 0.00 0.00 0.00 0.00 46.02 46.90 1ugj n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ugj n PRO 8 N -0.16 -1.87 -3.26 1.61 -0.04 -1.26 -4.99 135.00 125.03 1ugj n PRO 8 Ca -0.09 -1.53 -0.46 0.00 -0.04 0.00 0.00 63.50 61.39 1ugj n PRO 8 Cb 0.66 -1.20 -0.04 0.00 -0.04 0.00 0.00 33.50 32.88 1ugj n PRO 8 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1ugj s ARG 9 N -5.16 3.13 -0.13 0.54 1.81 -1.26 -4.86 118.95 113.02 1ugj s ARG 9 Ca 0.59 -1.75 0.11 0.00 -1.72 0.00 0.00 55.73 52.96 1ugj s ARG 9 Cb -0.04 -4.33 0.56 0.00 -0.45 0.00 0.00 34.95 30.69 1ugj s ARG 9 CO 0.43 -1.39 1.39 -0.11 -0.68 0.00 0.00 175.30 174.94 1ugj n LEU 10 N 5.32 4.00 -4.33 2.53 0.00 -1.26 -4.73 117.00 118.53 1ugj n LEU 10 Ca -0.07 -2.02 -0.47 0.00 0.00 0.00 0.00 56.01 53.45 1ugj n LEU 10 Cb 0.42 -0.56 -0.02 0.00 0.00 0.00 0.00 43.42 43.26 1ugj n LEU 10 CO 0.51 0.56 0.47 -0.47 0.00 0.00 0.00 177.39 178.46 1ugj s TYR 11 N -2.02 3.81 -0.23 1.96 5.04 -1.26 -4.96 117.35 119.69 1ugj s TYR 11 Ca 0.38 -2.06 -0.30 0.00 -2.44 0.00 0.00 57.07 52.65 1ugj s TYR 11 Cb 0.27 -3.82 0.16 0.00 0.35 0.00 0.00 41.96 38.92 1ugj s TYR 11 CO 0.14 -0.99 1.21 -1.59 -1.34 0.00 0.00 175.55 172.99 1ugj s LYS 12 N 0.04 0.27 0.22 4.97 -2.85 -1.26 -5.17 119.74 115.95 1ugj s LYS 12 Ca 0.19 0.06 -0.02 0.00 -1.00 0.00 0.00 55.97 55.20 1ugj s LYS 12 Cb -0.10 0.13 -0.04 0.00 -2.06 0.00 0.00 37.83 35.76 1ugj s LYS 12 CO -0.09 -0.09 0.42 -1.83 0.10 0.00 0.00 175.35 173.86 1ugj s GLU 13 N -1.13 3.54 0.94 1.78 1.03 -1.26 -5.10 118.70 118.50 1ugj s GLU 13 Ca 0.05 -0.27 -0.13 0.00 0.03 0.00 0.00 54.97 54.65 1ugj s GLU 13 Cb -0.01 -2.80 0.15 0.00 -0.80 0.00 0.00 34.13 30.67 1ugj s GLU 13 CO -0.04 0.37 1.15 -1.25 -1.33 0.00 0.00 175.26 174.16 1ugj s PRO 14 N -3.35 0.93 -0.32 -4.83 0.04 -1.26 -4.93 135.00 121.29 1ugj s PRO 14 Ca 0.39 0.20 -0.02 0.00 0.04 0.00 0.00 61.00 61.61 1ugj s PRO 14 Cb -0.11 -1.82 0.10 0.00 0.04 0.00 0.00 34.50 32.71 1ugj s PRO 14 CO 0.29 -2.32 2.44 0.45 0.04 0.00 0.00 177.00 177.90 1ugj n SER 15 N -3.84 6.29 -2.27 6.66 2.88 -1.26 -4.85 113.62 117.23 1ugj n SER 15 Ca 0.08 -3.02 -0.03 0.00 -1.33 0.00 0.00 58.87 54.57 1ugj n SER 15 Cb 0.59 -1.16 -0.02 0.00 -0.75 0.00 0.00 64.21 62.87 1ugj n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ugj n ALA 16 N 0.81 -3.02 -2.73 -1.46 0.00 -1.26 -4.99 120.51 107.85 1ugj n ALA 16 Ca 0.36 1.37 -0.04 0.00 0.00 0.00 0.00 53.44 55.13 1ugj n ALA 16 Cb 0.60 -2.84 0.04 0.00 0.00 0.00 0.00 19.45 17.25 1ugj n ALA 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ugj n LYS 17 N 1.44 1.93 -1.16 0.00 5.02 -1.26 -5.11 118.16 119.02 1ugj n LYS 17 Ca -0.21 -3.58 -0.37 0.00 -2.02 0.00 0.00 58.31 52.13 1ugj n LYS 17 Cb 0.32 -1.67 0.05 0.00 -0.02 0.00 0.00 35.03 33.71 1ugj n LYS 17 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1ugj n SER 18 N -0.58 -2.92 -1.61 4.39 3.41 -1.26 -4.92 113.62 110.13 1ugj n SER 18 Ca 0.12 0.50 -0.03 0.00 -0.26 0.00 0.00 58.87 59.19 1ugj n SER 18 Cb 0.82 -1.03 0.09 0.00 -0.26 0.00 0.00 64.21 63.83 1ugj n SER 18 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1ugj n ASN 19 N 1.13 2.36 0.06 4.04 6.94 -1.13 -4.82 115.26 123.84 1ugj n ASN 19 Ca 0.07 -3.06 -0.13 0.00 -0.02 0.00 0.00 54.58 51.44 1ugj n ASN 19 Cb 0.51 -0.42 -0.09 0.00 -2.36 0.00 0.00 39.78 37.43 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 1.62 -0.15 -0.00 -3.83 3.64 -1.92 -2.48 116.57 113.45 1ugj h LYS 20 Ca 0.02 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1ugj h LYS 20 Cb 1.40 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.26 1ugj h LYS 20 CO 0.26 0.15 0.00 0.74 -2.27 0.00 0.00 179.45 178.33 1ugj h PHE 21 N -0.45 0.00 0.00 1.91 -1.00 -1.97 0.23 116.94 115.66 1ugj h PHE 21 Ca -0.02 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.71 1ugj h PHE 21 Cb 0.37 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 1ugj h PHE 21 CO 0.02 0.00 -0.25 0.82 -1.61 0.00 0.00 178.31 177.29 1ugj h ILE 22 N 0.00 0.64 0.00 -0.55 2.04 -1.83 -2.88 117.51 114.93 1ugj h ILE 22 Ca 0.00 -1.16 -0.11 0.00 1.00 0.00 0.00 64.86 64.59 1ugj h ILE 22 Cb 0.01 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1ugj h ILE 22 CO -0.00 0.25 -0.69 0.40 0.00 0.00 0.00 178.15 178.10 1ugj h ILE 23 N 0.00 0.85 -1.00 -0.67 1.08 -0.21 -2.86 117.51 114.70 1ugj h ILE 23 Ca -0.00 -1.87 0.39 0.00 -0.39 0.00 0.00 64.86 62.99 1ugj h ILE 23 Cb 0.74 1.83 -0.17 0.00 -3.07 0.00 0.00 36.82 36.16 1ugj h ILE 23 CO 0.03 0.29 0.52 0.45 -0.69 0.00 0.00 178.15 178.75 1ugj h HIS 24 N -1.00 0.82 -0.01 1.37 3.86 -0.93 1.73 115.15 120.99 1ugj h HIS 24 Ca -0.17 0.04 -0.21 0.00 -1.16 0.00 0.00 60.37 58.87 1ugj h HIS 24 Cb 0.95 -0.19 0.02 0.00 1.06 0.00 0.00 27.41 29.25 1ugj h HIS 24 CO 0.07 -0.41 -0.82 -0.91 0.86 0.00 0.00 177.93 176.72 1ugj h ASN 25 N 0.08 0.73 -0.56 2.45 2.35 -1.64 -2.22 115.58 116.77 1ugj h ASN 25 Ca 0.81 -0.74 0.09 0.00 -0.55 0.00 0.00 56.30 55.91 1ugj h ASN 25 Cb 2.07 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 40.18 1ugj h ASN 25 CO -0.74 1.38 0.38 0.00 -1.65 0.00 0.00 177.43 176.80 1ugj h ALA 26 N 0.37 2.01 -0.01 -0.83 0.00 0.25 1.47 119.26 122.52 1ugj h ALA 26 Ca -0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1ugj h ALA 26 Cb 1.50 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1ugj h ALA 26 CO 0.16 -0.13 -0.03 -0.07 0.00 0.00 0.00 179.25 179.19 1ugj h LEU 27 N 0.39 0.03 0.00 0.00 3.38 0.30 -2.15 115.31 117.27 1ugj h LEU 27 Ca 0.25 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1ugj h LEU 27 Cb 0.49 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1ugj h LEU 27 CO -0.07 0.69 0.00 -1.20 0.09 0.00 0.00 178.44 177.96 1ugj n SER 28 N -4.74 0.00 -0.06 -0.43 7.64 -0.61 -0.52 113.62 114.91 1ugj n SER 28 Ca -0.09 -0.80 -0.19 0.00 1.01 0.00 0.00 58.87 58.80 1ugj n SER 28 Cb 0.34 -0.01 -0.13 0.00 -1.01 0.00 0.00 64.21 63.40 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 0.13 0.00 1.43 3.86 0.22 -3.44 115.15 117.35 1ugj h HIS 29 Ca 0.00 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1ugj h HIS 29 Cb 0.01 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1ugj h HIS 29 CO 0.00 1.30 0.00 0.00 0.86 0.00 0.00 177.93 180.09 1ugj n LEU 32 N -4.50 0.04 -4.70 0.00 4.77 0.23 -3.85 117.00 108.99 1ugj n LEU 32 Ca 0.40 -2.22 -0.37 0.00 -0.03 0.00 0.00 56.01 53.79 1ugj n LEU 32 Cb 1.63 0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 42.71 1ugj n LEU 32 CO 0.27 1.06 0.01 0.00 -1.33 0.00 0.00 177.39 177.40 1ugj s ALA 33 N -0.37 3.58 0.00 -1.18 0.00 0.32 -4.60 121.76 119.51 1ugj s ALA 33 Ca 0.18 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1ugj s ALA 33 Cb 0.24 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1ugj s ALA 33 CO -0.09 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1ugj n GLY 34 N 3.65 1.24 0.13 0.00 0.00 -1.26 -4.76 105.19 104.18 1ugj n GLY 34 Ca -0.11 -1.72 -0.17 0.00 0.00 0.00 0.00 46.02 44.02 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 0.36 0.00 1.61 3.64 -1.98 -1.76 116.57 118.44 1ugj h LYS 35 Ca 0.00 -0.57 -0.04 0.00 -1.27 0.00 0.00 60.65 58.78 1ugj h LYS 35 Cb 0.00 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1ugj h LYS 35 CO 0.00 1.25 -0.18 0.28 -2.27 0.00 0.00 179.45 178.54 1ugj h VAL 36 N 0.12 0.50 -0.38 2.00 2.07 -1.97 -1.83 116.25 116.77 1ugj h VAL 36 Ca -0.15 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1ugj h VAL 36 Cb 1.94 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1ugj h VAL 36 CO 0.21 0.17 0.00 0.59 0.02 0.00 0.00 177.57 178.57 1ugj n ASN 37 N -3.42 4.12 0.10 0.57 3.02 -1.19 -4.45 115.26 114.01 1ugj n ASN 37 Ca -0.00 -2.74 -0.22 0.00 -0.03 0.00 0.00 54.58 51.58 1ugj n ASN 37 Cb 0.36 -0.51 -0.14 0.00 -0.61 0.00 0.00 39.78 38.88 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 2.49 0.52 -0.05 3.52 4.81 -0.42 -0.63 114.58 124.83 1ugj h GLU 38 Ca 0.00 -0.78 -0.25 0.00 -0.13 0.00 0.00 59.36 58.20 1ugj h GLU 38 Cb 1.40 0.27 0.02 0.00 0.63 0.00 0.00 28.75 31.07 1ugj h GLU 38 CO 0.23 1.36 -0.95 -1.00 -0.73 0.00 0.00 179.01 177.91 1ugj h PRO 39 N 0.07 0.72 0.24 0.92 0.13 -1.78 -3.16 132.00 129.14 1ugj h PRO 39 Ca -0.19 -0.71 -0.01 0.00 -0.87 0.00 0.00 66.00 64.22 1ugj h PRO 39 Cb 1.90 0.18 0.00 0.00 0.13 0.00 0.00 31.00 33.22 1ugj h PRO 39 CO 0.23 1.29 -0.12 0.37 -0.23 0.00 0.00 178.00 179.55 1ugj h GLN 40 N 0.44 -0.31 -0.86 0.86 4.15 -1.80 -3.02 115.11 114.58 1ugj h GLN 40 Ca -0.10 0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.45 1ugj h GLN 40 Cb 1.59 0.07 -0.12 0.00 0.21 0.00 0.00 27.48 29.23 1ugj h GLN 40 CO 0.19 0.04 -0.42 1.17 -1.93 0.00 0.00 178.83 177.89 1ugj n LYS 41 N -5.00 -0.29 -0.19 1.69 4.81 -0.24 0.21 118.16 119.15 1ugj n LYS 41 Ca -0.08 1.31 0.00 0.00 -0.87 0.00 0.00 58.31 58.67 1ugj n LYS 41 Cb 0.25 -1.93 0.09 0.00 0.02 0.00 0.00 35.03 33.46 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 -0.20 -0.02 3.14 2.35 -1.62 1.18 115.58 120.41 1ugj h ASN 42 Ca 0.22 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1ugj h ASN 42 Cb 0.43 0.23 -0.00 0.00 0.05 0.00 0.00 38.32 39.03 1ugj h ASN 42 CO -0.83 -0.08 0.03 0.03 -1.65 0.00 0.00 177.43 174.94 1ugj h ARG 43 N 0.14 0.00 0.00 0.81 2.47 0.27 0.42 114.38 118.49 1ugj h ARG 43 Ca 0.30 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.96 1ugj h ARG 43 Cb 0.47 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.79 1ugj h ARG 43 CO -0.47 0.00 -0.55 0.82 0.56 0.00 0.00 179.97 180.33 1ugj h ILE 44 N 0.00 0.40 -0.94 2.04 1.08 0.41 -2.88 117.51 117.62 1ugj h ILE 44 Ca 0.01 -1.43 0.15 0.00 -0.39 0.00 0.00 64.86 63.20 1ugj h ILE 44 Cb 0.08 0.89 -0.09 0.00 -3.07 0.00 0.00 36.82 34.62 1ugj h ILE 44 CO -0.00 0.14 0.55 -0.07 -0.69 0.00 0.00 178.15 178.08 1ugj h LEU 45 N -1.00 0.74 -0.74 1.44 4.07 0.79 1.08 115.31 121.69 1ugj h LEU 45 Ca -0.09 0.08 -0.10 0.00 0.08 0.00 0.00 57.88 57.85 1ugj h LEU 45 Cb 0.65 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.32 1ugj h LEU 45 CO -0.05 0.33 -0.11 1.05 -1.08 0.00 0.00 178.44 178.58 1ugj h GLU 46 N 0.79 0.85 -0.04 1.13 -0.00 -0.34 -1.77 114.58 115.20 1ugj h GLU 46 Ca 0.51 -0.29 -0.03 0.00 -0.00 0.00 0.00 59.36 59.55 1ugj h GLU 46 Cb 0.67 -0.07 0.00 0.00 -0.00 0.00 0.00 28.75 29.35 1ugj h GLU 46 CO -0.33 0.92 -0.08 0.93 -0.00 0.00 0.00 179.01 180.44 1ugj h GLU 47 N 0.76 0.13 -0.92 1.06 4.39 -0.39 0.17 114.58 119.77 1ugj h GLU 47 Ca 0.13 -0.08 0.16 0.00 0.34 0.00 0.00 59.36 59.91 1ugj h GLU 47 Cb 0.61 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.19 1ugj h GLU 47 CO 0.04 0.66 0.59 0.82 -1.16 0.00 0.00 179.01 179.96 1ugj h ILE 48 N -0.40 0.79 -0.00 3.13 2.04 0.11 1.47 117.51 124.65 1ugj h ILE 48 Ca 0.00 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1ugj h ILE 48 Cb 0.66 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1ugj h ILE 48 CO 0.02 0.12 -0.04 -0.33 0.00 0.00 0.00 178.15 177.92 1ugj h GLU 49 N 0.68 0.03 0.00 2.37 5.08 -1.24 -3.17 114.58 118.32 1ugj h GLU 49 Ca 0.48 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.80 1ugj h GLU 49 Cb 0.82 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 1ugj h GLU 49 CO -0.23 0.82 -0.05 1.57 -1.00 0.00 0.00 179.01 180.11 1ugj h LYS 50 N -0.74 0.00 -6.51 2.33 2.10 0.34 -3.41 116.57 110.67 1ugj h LYS 50 Ca -0.01 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.12 1ugj h LYS 50 Cb 0.83 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.13 1ugj h LYS 50 CO 0.01 0.05 0.22 -1.54 -2.00 0.00 0.00 179.45 176.18 1ugj s SER 51 N -6.17 7.40 -0.00 7.07 1.04 0.49 -4.93 113.70 118.60 1ugj s SER 51 Ca -0.04 1.66 0.07 0.00 0.48 0.00 0.00 55.95 58.12 1ugj s SER 51 Cb 0.14 -2.52 0.21 0.00 0.10 0.00 0.00 66.02 63.96 1ugj s SER 51 CO 0.56 0.13 1.18 0.29 0.98 0.00 0.00 173.24 176.38 1ugj n LYS 52 N 1.96 1.56 -2.25 4.02 4.76 -1.26 -4.86 118.16 122.09 1ugj n LYS 52 Ca -0.04 -0.87 -0.42 0.00 -2.87 0.00 0.00 58.31 54.11 1ugj n LYS 52 Cb 0.49 -1.19 -0.03 0.00 -1.84 0.00 0.00 35.03 32.46 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 -1.67 3.52 -2.33 7.82 0.00 -1.26 -4.89 121.76 122.95 1ugj s ALA 53 Ca 0.16 1.05 0.20 0.00 0.00 0.00 0.00 51.96 53.37 1ugj s ALA 53 Cb 0.08 -3.50 0.26 0.00 0.00 0.00 0.00 23.12 19.97 1ugj s ALA 53 CO 0.11 -0.54 1.23 0.09 0.00 0.00 0.00 175.76 176.65 1ugj n ASN 54 N 3.55 2.95 -3.58 0.00 3.02 -1.26 -4.82 115.26 115.11 1ugj n ASN 54 Ca 0.09 -1.89 -0.21 0.00 -0.03 0.00 0.00 54.58 52.54 1ugj n ASN 54 Cb 0.43 -0.11 -0.15 0.00 -0.61 0.00 0.00 39.78 39.34 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 -1.52 -0.03 0.40 3.10 2.46 -1.26 -2.86 115.29 115.58 1ugj s HIS 55 Ca 0.29 0.05 0.07 0.00 0.47 0.00 0.00 55.06 55.94 1ugj s HIS 55 Cb 0.18 -0.50 -0.06 0.00 -0.13 0.00 0.00 32.58 32.08 1ugj s HIS 55 CO 0.26 -0.48 0.12 -0.06 -2.47 0.00 0.00 174.74 172.11 1ugj s PHE 56 N 2.23 2.58 0.06 3.88 0.40 -1.26 0.13 117.98 125.99 1ugj s PHE 56 Ca 0.04 -0.59 -0.13 0.00 -0.60 0.00 0.00 56.93 55.65 1ugj s PHE 56 Cb -0.15 -1.86 0.02 0.00 0.51 0.00 0.00 43.02 41.54 1ugj s PHE 56 CO -0.09 0.29 0.30 -0.51 0.70 0.00 0.00 175.22 175.90 1ugj s LEU 57 N -3.83 0.90 -0.37 -0.37 1.02 -0.53 -4.74 118.68 110.76 1ugj s LEU 57 Ca 0.39 -0.28 -0.11 0.00 0.02 0.00 0.00 54.13 54.15 1ugj s LEU 57 Cb 0.05 1.36 0.03 0.00 0.02 0.00 0.00 46.19 47.65 1ugj s LEU 57 CO 0.21 -0.66 0.20 -0.63 0.02 0.00 0.00 176.35 175.49 1ugj s ILE 58 N -2.90 4.55 -0.48 -0.59 1.01 -1.25 -2.29 121.20 119.24 1ugj s ILE 58 Ca -0.03 -0.86 -0.28 0.00 0.00 0.00 0.00 60.65 59.48 1ugj s ILE 58 Cb 0.00 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.95 1ugj s ILE 58 CO -0.06 -0.22 1.38 -0.22 0.00 0.00 0.00 174.94 175.82 1ugj s LEU 59 N 1.55 3.51 0.55 2.97 2.96 -0.04 -3.09 118.68 127.09 1ugj s LEU 59 Ca 0.02 0.56 -0.11 0.00 -0.22 0.00 0.00 54.13 54.38 1ugj s LEU 59 Cb -0.19 -3.34 -0.05 0.00 0.50 0.00 0.00 46.19 43.11 1ugj s LEU 59 CO 0.06 -1.53 0.94 -0.36 -1.32 0.00 0.00 176.35 174.14 1ugj s PHE 60 N 5.58 3.57 -0.75 5.38 0.08 -1.15 0.19 117.98 130.87 1ugj s PHE 60 Ca 0.56 1.19 0.26 0.00 0.12 0.00 0.00 56.93 59.06 1ugj s PHE 60 Cb -0.12 -2.61 0.77 0.00 -0.57 0.00 0.00 43.02 40.49 1ugj s PHE 60 CO 0.29 -0.47 1.70 -2.13 -0.10 0.00 0.00 175.22 174.51 1ugj n ARG 61 N -2.26 0.23 0.00 0.44 0.63 -1.14 -4.67 116.66 109.89 1ugj n ARG 61 Ca 0.04 0.16 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 1ugj n ARG 61 Cb 0.54 -1.74 0.00 0.00 0.45 0.00 0.00 32.46 31.71 1ugj n ARG 61 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1ugj n ASP 62 N -2.13 -0.02 0.00 6.15 -0.08 -1.26 -5.05 116.55 114.16 1ugj n ASP 62 Ca 0.05 0.48 0.00 0.00 -1.51 0.00 0.00 54.79 53.81 1ugj n ASP 62 Cb 0.42 0.50 0.00 0.00 2.34 0.00 0.00 41.12 44.37 1ugj n ASP 62 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1ugj n SER 63 N -2.94 0.00 -2.19 1.67 2.88 -1.26 -4.91 113.62 106.87 1ugj n SER 63 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1ugj n SER 63 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 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 -0.84 -4.03 -3.46 2.88 -1.26 -4.99 113.62 101.91 1ugj n SER 64 Ca 0.00 -1.63 -0.39 0.00 -1.33 0.00 0.00 58.87 55.52 1ugj n SER 64 Cb 0.00 0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 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 -4.76 1.84 -1.52 0.00 6.02 -1.26 -4.75 117.38 112.95 1ugj n GLN 66 Ca -0.16 -4.11 -0.59 0.00 -0.01 0.00 0.00 57.00 52.13 1ugj n GLN 66 Cb 0.60 -1.85 -0.08 0.00 1.02 0.00 0.00 30.24 29.93 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 0.99 0.77 -0.01 1.08 -0.00 -1.25 -2.91 117.46 116.13 1ugj n PHE 67 Ca 0.27 1.05 0.04 0.00 -0.00 0.00 0.00 57.45 58.81 1ugj n PHE 67 Cb 0.46 -2.11 -0.09 0.00 -0.00 0.00 0.00 39.48 37.74 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 0.55 0.00 -4.13 5.12 0.50 -4.86 116.66 115.60 1ugj n ARG 68 Ca 0.21 -0.09 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 1ugj n ARG 68 Cb 0.07 -1.26 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 1ugj n ARG 68 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ugj n ALA 69 N -1.94 0.00 -2.78 7.54 0.00 -1.14 -3.88 120.51 118.31 1ugj n ALA 69 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 1ugj n ALA 69 Cb 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.71 1ugj n ALA 69 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ugj s LEU 70 N 0.00 3.87 0.24 0.00 1.98 -0.89 -0.86 118.68 123.02 1ugj s LEU 70 Ca 0.00 0.22 0.04 0.00 -2.89 0.00 0.00 54.13 51.50 1ugj s LEU 70 Cb 0.00 -1.93 -0.05 0.00 0.66 0.00 0.00 46.19 44.87 1ugj s LEU 70 CO 0.00 0.33 -0.00 -0.31 -1.89 0.00 0.00 176.35 174.48 1ugj s TYR 71 N -0.57 1.60 -0.04 5.38 1.51 -0.97 -1.98 117.35 122.28 1ugj s TYR 71 Ca 0.11 -0.92 0.07 0.00 -1.01 0.00 0.00 57.07 55.32 1ugj s TYR 71 Cb -0.12 -0.93 -0.01 0.00 -0.11 0.00 0.00 41.96 40.78 1ugj s TYR 71 CO 0.02 -0.03 -0.24 0.95 -1.11 0.00 0.00 175.55 175.14 1ugj s THR 72 N -3.40 1.94 -0.03 -0.71 -4.23 0.15 -1.45 115.64 107.91 1ugj s THR 72 Ca 0.29 -1.03 -0.17 0.00 -1.18 0.00 0.00 61.69 59.60 1ugj s THR 72 Cb 0.06 -1.63 -0.05 0.00 1.34 0.00 0.00 72.50 72.22 1ugj s THR 72 CO 0.09 0.55 0.46 -0.22 -0.54 0.00 0.00 174.62 174.96 1ugj s LEU 73 N -0.37 4.41 -0.20 4.79 2.96 0.34 0.18 118.68 130.79 1ugj s LEU 73 Ca 0.03 0.97 -0.26 0.00 -0.22 0.00 0.00 54.13 54.64 1ugj s LEU 73 Cb -0.11 -2.69 -0.01 0.00 0.50 0.00 0.00 46.19 43.89 1ugj s LEU 73 CO 0.01 0.19 0.90 -0.44 -1.32 0.00 0.00 176.35 175.70 1ugj s SER 74 N -0.44 6.99 0.35 3.68 0.01 -0.65 -4.46 113.70 119.18 1ugj s SER 74 Ca 0.26 1.23 0.27 0.00 1.31 0.00 0.00 55.95 59.01 1ugj s SER 74 Cb -0.17 -2.48 1.15 0.00 0.21 0.00 0.00 66.02 64.74 1ugj s SER 74 CO 0.13 -0.50 1.80 1.23 0.41 0.00 0.00 173.24 176.31 1ugj h GLY 75 N 8.80 0.00 1.59 3.44 0.00 -1.96 -2.20 103.07 112.74 1ugj h GLY 75 Ca -0.25 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.83 1ugj h GLY 75 CO 0.88 0.00 -1.28 1.05 0.00 0.00 0.00 176.54 177.19 1ugj h GLU 76 N 0.00 0.04 0.00 4.80 9.09 -1.97 -3.48 114.58 123.05 1ugj h GLU 76 Ca 0.00 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.35 1ugj h GLU 76 Cb 0.34 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 1ugj h GLU 76 CO 0.00 0.87 0.00 0.25 0.05 0.00 0.00 179.01 180.18 1ugj n THR 77 N -3.28 0.00 -0.34 -1.06 -2.24 -0.83 -5.06 114.28 101.47 1ugj n THR 77 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1ugj n THR 77 Cb 0.99 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 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 -0.01 -1.84 -0.78 1.02 -1.26 -4.57 120.64 113.20 1ugj n GLU 78 Ca 0.00 -0.53 -0.32 0.00 -0.02 0.00 0.00 57.16 56.29 1ugj n GLU 78 Cb 0.00 -0.83 0.03 0.00 -0.02 0.00 0.00 31.44 30.62 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 -0.16 3.13 -0.09 3.49 8.01 -1.26 -4.41 118.70 127.41 1ugj s GLU 79 Ca 0.00 1.12 0.02 0.00 0.01 0.00 0.00 54.97 56.12 1ugj s GLU 79 Cb 0.00 -2.01 -0.02 0.00 -4.31 0.00 0.00 34.13 27.79 1ugj s GLU 79 CO 0.00 -0.95 -0.14 -0.51 0.01 0.00 0.00 175.26 173.67 1ugj s LEU 80 N -4.93 2.71 -0.04 1.80 1.43 0.54 -1.64 118.68 118.55 1ugj s LEU 80 Ca 0.62 -0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 53.40 1ugj s LEU 80 Cb -0.15 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 1ugj s LEU 80 CO 0.44 0.24 0.17 -0.55 0.23 0.00 0.00 176.35 176.88 1ugj s SER 81 N -0.12 6.38 -0.57 2.29 0.15 0.46 0.11 113.70 122.41 1ugj s SER 81 Ca -0.02 0.38 -0.28 0.00 0.70 0.00 0.00 55.95 56.74 1ugj s SER 81 Cb -0.14 -2.02 0.03 0.00 -1.71 0.00 0.00 66.02 62.18 1ugj s SER 81 CO 0.04 0.30 1.25 -0.60 1.20 0.00 0.00 173.24 175.43 1ugj s ARG 82 N -1.68 3.48 -0.08 5.44 3.52 0.33 0.31 118.95 130.26 1ugj s ARG 82 Ca 0.24 0.34 -0.03 0.00 -0.13 0.00 0.00 55.73 56.15 1ugj s ARG 82 Cb -0.12 -4.04 -0.01 0.00 -1.56 0.00 0.00 34.95 29.22 1ugj s ARG 82 CO 0.15 -1.72 0.11 1.25 -0.81 0.00 0.00 175.30 174.27 1ugj h LEU 83 N 12.18 -0.08 -8.03 -0.88 5.85 -1.72 -3.48 115.31 119.15 1ugj h LEU 83 Ca -0.25 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.40 1ugj h LEU 83 Cb 1.07 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 42.01 1ugj h LEU 83 CO 1.18 0.38 -0.18 0.00 -0.34 0.00 0.00 178.44 179.48 1ugj s ALA 84 N -2.81 -0.28 0.00 1.25 0.00 -0.84 -5.04 121.76 114.04 1ugj s ALA 84 Ca -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1ugj s ALA 84 Cb 0.00 0.93 0.00 0.00 0.00 0.00 0.00 23.12 24.05 1ugj s ALA 84 CO 0.04 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.47 1ugj n GLY 85 N -0.30 -1.11 3.10 0.00 0.00 -1.26 -2.09 105.19 103.53 1ugj n GLY 85 Ca -0.06 -1.95 -0.27 0.00 0.00 0.00 0.00 46.02 43.74 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 1.76 -4.82 1.61 2.02 -1.25 -5.03 117.35 111.64 1ugj s TYR 86 Ca 0.00 -0.61 0.00 0.00 -0.37 0.00 0.00 57.07 56.09 1ugj s TYR 86 Cb 0.00 -1.22 0.00 0.00 -0.40 0.00 0.00 41.96 40.34 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 3.49 -0.66 3.72 0.71 0.00 -1.26 -4.71 105.19 106.48 1ugj n GLY 87 Ca -0.20 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 1ugj n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugj s PRO 88 N -1.93 4.49 0.27 1.61 0.04 -1.26 -4.92 135.00 133.30 1ugj s PRO 88 Ca 0.00 1.73 -0.05 0.00 0.04 0.00 0.00 61.00 62.72 1ugj s PRO 88 Cb 0.00 -3.34 0.51 0.00 0.04 0.00 0.00 34.50 31.71 1ugj s PRO 88 CO 0.00 -0.15 1.45 -2.13 0.04 0.00 0.00 177.00 176.21 1ugj n ARG 89 N 3.47 -0.08 -4.22 4.56 0.63 -1.26 -4.49 116.66 115.27 1ugj n ARG 89 Ca 0.07 1.43 -0.13 0.00 -0.92 0.00 0.00 57.85 58.30 1ugj n ARG 89 Cb 0.47 -2.18 -0.10 0.00 0.45 0.00 0.00 32.46 31.10 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 -6.09 1.00 -0.01 5.15 2.01 -1.26 0.12 115.64 116.56 1ugj s THR 90 Ca -0.13 -1.97 0.03 0.00 0.31 0.00 0.00 61.69 59.93 1ugj s THR 90 Cb 0.26 -1.73 -0.00 0.00 0.01 0.00 0.00 72.50 71.03 1ugj s THR 90 CO 0.72 -0.76 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.12 1ugj s VAL 91 N -3.29 0.71 0.36 3.82 1.01 0.30 -4.94 120.40 118.36 1ugj s VAL 91 Ca 0.14 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 61.82 1ugj s VAL 91 Cb 0.03 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 1ugj s VAL 91 CO -0.01 0.21 0.28 0.42 0.00 0.00 0.00 175.10 176.00 1ugj s THR 92 N -0.13 3.22 -1.15 3.92 -4.23 -1.26 0.20 115.64 116.21 1ugj s THR 92 Ca 0.02 -1.43 0.22 0.00 -1.18 0.00 0.00 61.69 59.32 1ugj s THR 92 Cb -0.04 -3.10 0.26 0.00 1.34 0.00 0.00 72.50 70.95 1ugj s THR 92 CO -0.00 -0.13 1.72 -0.81 -0.54 0.00 0.00 174.62 174.85 1ugj n PRO 93 N -1.36 0.12 0.10 3.99 -0.04 -1.26 -2.36 135.00 134.18 1ugj n PRO 93 Ca -0.01 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1ugj n PRO 93 Cb 0.61 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 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 2.87 0.62 0.00 0.55 0.00 -1.94 -3.29 119.26 118.07 1ugj h ALA 94 Ca 0.00 -0.64 -0.18 0.00 0.00 0.00 0.00 54.91 54.08 1ugj h ALA 94 Cb 0.32 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1ugj h ALA 94 CO 0.00 0.81 -1.54 -1.33 0.00 0.00 0.00 179.25 177.19 1ugj n MET 95 N -3.15 0.63 -1.63 0.00 2.81 -0.99 -4.86 117.12 109.92 1ugj n MET 95 Ca -0.02 0.19 -0.43 0.00 -1.81 0.00 0.00 57.70 55.63 1ugj n MET 95 Cb 0.80 -1.77 -0.03 0.00 -0.71 0.00 0.00 33.22 31.51 1ugj n MET 95 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1ugj n VAL 96 N -2.86 0.58 -0.00 2.03 0.31 -1.00 0.04 118.33 117.43 1ugj n VAL 96 Ca -0.12 -0.28 -0.18 0.00 -0.01 0.00 0.00 64.34 63.76 1ugj n VAL 96 Cb 0.87 -2.40 -0.09 0.00 -0.91 0.00 0.00 33.84 31.30 1ugj n VAL 96 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1ugj h GLU 97 N 12.48 0.65 -3.00 5.55 4.81 0.20 -3.46 114.58 131.81 1ugj h GLU 97 Ca -0.46 -0.59 -0.06 0.00 -0.13 0.00 0.00 59.36 58.13 1ugj h GLU 97 Cb 1.24 0.14 -0.15 0.00 0.63 0.00 0.00 28.75 30.62 1ugj h GLU 97 CO 0.95 1.20 0.01 0.20 -0.73 0.00 0.00 179.01 180.64 1ugj s GLY 98 N -4.10 -0.39 0.11 1.92 0.00 -1.15 -5.00 107.32 98.71 1ugj s GLY 98 Ca -0.11 0.38 0.09 0.00 0.00 0.00 0.00 44.72 45.07 1ugj s GLY 98 CO 0.88 0.09 -0.23 -0.26 0.00 0.00 0.00 173.10 173.58 1ugj s ILE 99 N -2.97 1.89 0.05 0.90 -4.36 -1.26 -1.16 121.20 114.27 1ugj s ILE 99 Ca -0.02 -1.59 -0.07 0.00 -0.26 0.00 0.00 60.65 58.72 1ugj s ILE 99 Cb -0.00 -1.69 -0.01 0.00 1.25 0.00 0.00 42.46 42.01 1ugj s ILE 99 CO -0.06 0.01 0.12 -0.31 0.24 0.00 0.00 174.94 174.94 1ugj s TYR 100 N -1.10 0.19 0.00 1.37 1.51 0.44 -0.37 117.35 119.39 1ugj s TYR 100 Ca 0.09 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.63 1ugj s TYR 100 Cb -0.10 -0.12 0.00 0.00 -0.11 0.00 0.00 41.96 41.63 1ugj s TYR 100 CO 0.05 -0.41 0.00 0.36 -1.11 0.00 0.00 175.55 174.44 1ugj n LYS 101 N 0.56 2.54 -3.43 -0.62 2.85 0.23 0.13 118.16 120.41 1ugj n LYS 101 Ca -0.18 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 56.96 1ugj n LYS 101 Cb 0.59 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.87 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 1.50 -0.62 -0.62 5.58 6.14 -1.26 -3.75 117.35 124.32 1ugj s TYR 102 Ca 0.00 0.68 -0.27 0.00 0.64 0.00 0.00 57.07 58.12 1ugj s TYR 102 Cb 0.00 -0.09 -0.00 0.00 0.42 0.00 0.00 41.96 42.28 1ugj s TYR 102 CO 0.00 -0.64 1.66 -0.80 0.64 0.00 0.00 175.55 176.40 1ugj s ASN 103 N 2.47 5.64 0.00 4.32 0.01 0.35 -4.79 114.94 122.94 1ugj s ASN 103 Ca 0.09 0.21 0.06 0.00 -0.71 0.00 0.00 52.86 52.51 1ugj s ASN 103 Cb -0.15 -2.54 0.17 0.00 0.41 0.00 0.00 41.25 39.14 1ugj s ASN 103 CO -0.14 -2.11 1.14 -0.24 -1.51 0.00 0.00 177.10 174.24 1ugj n SER 104 N 11.35 1.01 -0.01 -1.22 2.88 -1.26 -0.60 113.62 125.77 1ugj n SER 104 Ca 0.15 -2.00 -0.01 0.00 -1.33 0.00 0.00 58.87 55.69 1ugj n SER 104 Cb 0.51 -0.13 -0.01 0.00 -0.75 0.00 0.00 64.21 63.83 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 0.05 3.61 0.02 -3.46 8.00 -1.26 -4.68 116.55 118.83 1ugj n ASP 105 Ca 0.06 -0.01 0.11 0.00 0.71 0.00 0.00 54.79 55.67 1ugj n ASP 105 Cb 0.16 -0.02 0.07 0.00 -0.02 0.00 0.00 41.12 41.31 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 -2.58 0.20 -2.64 -1.24 1.74 -1.24 -4.95 116.66 105.96 1ugj n ARG 106 Ca -0.02 0.01 -0.16 0.00 -0.77 0.00 0.00 57.85 56.91 1ugj n ARG 106 Cb 0.52 -1.57 0.02 0.00 -1.02 0.00 0.00 32.46 30.41 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 -1.84 -2.80 -3.28 5.56 5.02 0.23 -5.00 118.16 116.05 1ugj n LYS 107 Ca 0.03 0.68 -0.15 0.00 -2.02 0.00 0.00 58.31 56.85 1ugj n LYS 107 Cb 0.41 -5.00 -0.04 0.00 -0.02 0.00 0.00 35.03 30.38 1ugj n LYS 107 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ugj n ARG 108 N -2.89 1.02 -4.37 1.97 5.12 -1.09 -4.97 116.66 111.45 1ugj n ARG 108 Ca -0.11 -1.81 -0.23 0.00 -1.93 0.00 0.00 57.85 53.77 1ugj n ARG 108 Cb 0.60 0.76 -0.13 0.00 -1.16 0.00 0.00 32.46 32.54 1ugj n ARG 108 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1ugj s PHE 109 N -2.15 1.60 0.07 -1.55 0.08 -1.26 -0.50 117.98 114.26 1ugj s PHE 109 Ca 0.06 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.71 1ugj s PHE 109 Cb 0.00 -0.91 -0.04 0.00 -0.57 0.00 0.00 43.02 41.50 1ugj s PHE 109 CO 0.04 0.12 -0.05 0.99 -0.10 0.00 0.00 175.22 176.23 1ugj s THR 110 N -1.03 0.41 0.13 0.64 2.01 -1.25 -4.93 115.64 111.63 1ugj s THR 110 Ca 0.04 -1.75 0.03 0.00 0.31 0.00 0.00 61.69 60.32 1ugj s THR 110 Cb -0.09 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 1ugj s THR 110 CO 0.03 -0.88 0.24 -1.58 -0.69 0.00 0.00 174.62 171.74 1ugj s GLN 111 N -3.57 3.32 -0.01 4.92 0.74 -1.26 0.76 119.66 124.56 1ugj s GLN 111 Ca 0.06 -0.62 -0.11 0.00 0.05 0.00 0.00 55.36 54.74 1ugj s GLN 111 Cb 0.05 -2.91 -0.05 0.00 1.10 0.00 0.00 33.01 31.19 1ugj s GLN 111 CO -0.07 0.53 0.33 0.42 -0.55 0.00 0.00 175.29 175.95 1ugj s ILE 112 N -1.69 5.18 -0.35 -2.34 -1.09 0.50 -4.77 121.20 116.64 1ugj s ILE 112 Ca 0.34 0.53 0.27 0.00 -2.23 0.00 0.00 60.65 59.56 1ugj s ILE 112 Cb -0.11 -3.61 0.33 0.00 -1.58 0.00 0.00 42.46 37.48 1ugj s ILE 112 CO 0.27 0.50 1.78 1.55 -1.23 0.00 0.00 174.94 177.81 1ugj h PRO 113 N 4.46 0.00 -6.44 2.79 0.13 -1.99 -3.43 132.00 127.51 1ugj h PRO 113 Ca -0.52 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.12 1ugj h PRO 113 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ugj h PRO 113 CO 0.62 0.00 -0.22 0.00 -0.23 0.00 0.00 178.00 178.18 1ugj s ALA 114 N -3.35 3.71 -2.14 -0.56 0.00 -1.26 -4.99 121.76 113.17 1ugj s ALA 114 Ca 0.05 -0.83 0.18 0.00 0.00 0.00 0.00 51.96 51.37 1ugj s ALA 114 Cb 0.09 -2.12 0.22 0.00 0.00 0.00 0.00 23.12 21.31 1ugj s ALA 114 CO 0.56 0.14 1.16 1.63 0.00 0.00 0.00 175.76 179.24 1ugj n LYS 115 N -1.36 1.82 -3.63 0.00 4.01 -1.26 -4.56 118.16 113.18 1ugj n LYS 115 Ca -0.04 -1.77 -0.20 0.00 -0.51 0.00 0.00 58.31 55.78 1ugj n LYS 115 Cb 0.55 -1.37 -0.02 0.00 -0.51 0.00 0.00 35.03 33.67 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 -1.42 3.46 1.01 -0.18 2.01 -1.26 -4.91 115.64 114.34 1ugj s THR 116 Ca 0.25 -1.25 -0.12 0.00 0.31 0.00 0.00 61.69 60.88 1ugj s THR 116 Cb 0.16 -3.19 0.19 0.00 0.01 0.00 0.00 72.50 69.68 1ugj s THR 116 CO 0.24 -0.13 1.08 -0.04 -0.69 0.00 0.00 174.62 175.08 1ugj s MET 117 N -4.09 0.36 0.00 4.92 -1.94 -1.26 -4.98 119.30 112.31 1ugj s MET 117 Ca 0.44 0.67 0.00 0.00 -1.71 0.00 0.00 55.69 55.09 1ugj s MET 117 Cb -0.06 -1.72 0.00 0.00 2.01 0.00 0.00 34.83 35.06 1ugj s MET 117 CO 0.28 -2.82 0.00 -1.13 -0.01 0.00 0.00 175.02 171.35 1ugj n SER 118 N -4.26 0.00 0.05 3.03 3.41 -1.26 -4.98 113.62 109.62 1ugj n SER 118 Ca 0.05 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.71 1ugj n SER 118 Cb 0.56 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.75 1ugj n SER 118 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1ugj n MET 119 N -0.26 0.05 -0.65 4.33 0.00 -1.26 -1.28 117.12 118.05 1ugj n MET 119 Ca 0.00 0.48 -0.07 0.00 -0.00 0.00 0.00 57.70 58.11 1ugj n MET 119 Cb 0.00 -1.65 0.16 0.00 0.00 0.00 0.00 33.22 31.73 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 -1.75 3.59 -4.29 6.12 7.64 -1.26 -4.85 113.62 118.82 1ugj n SER 120 Ca 0.00 -2.79 -0.28 0.00 1.01 0.00 0.00 58.87 56.82 1ugj n SER 120 Cb 0.06 -0.66 -0.14 0.00 -1.01 0.00 0.00 64.21 62.45 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 -1.98 1.88 0.00 0.44 1.01 -0.40 -4.25 120.40 117.10 1ugj s VAL 121 Ca 0.33 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1ugj s VAL 121 Cb 0.27 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 35.03 1ugj s VAL 121 CO 0.08 0.30 0.81 0.47 0.00 0.00 0.00 175.10 176.75 1ugj n ASP 122 N 1.86 0.00 -3.64 3.32 9.92 0.35 -4.88 116.55 123.48 1ugj n ASP 122 Ca -0.17 -1.65 -0.04 0.00 -0.53 0.00 0.00 54.79 52.40 1ugj n ASP 122 Cb 0.53 -0.13 -0.06 0.00 -0.64 0.00 0.00 41.12 40.82 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 -2.13 0.08 2.24 0.00 0.11 -3.95 121.76 118.11 1ugj s ALA 123 Ca 0.00 1.77 -0.22 0.00 0.00 0.00 0.00 51.96 53.51 1ugj s ALA 123 Cb 0.00 -1.54 0.05 0.00 0.00 0.00 0.00 23.12 21.63 1ugj s ALA 123 CO 0.00 -0.18 0.53 -0.59 0.00 0.00 0.00 175.76 175.51 1ugj s PHE 124 N -0.44 -0.42 -0.02 0.00 -0.71 -1.18 0.17 117.98 115.38 1ugj s PHE 124 Ca 0.06 0.38 0.05 0.00 -1.04 0.00 0.00 56.93 56.39 1ugj s PHE 124 Cb -0.03 0.38 -0.01 0.00 -1.21 0.00 0.00 43.02 42.14 1ugj s PHE 124 CO -0.10 -0.69 -0.17 0.95 -1.34 0.00 0.00 175.22 173.87 1ugj s THR 125 N -2.86 1.35 0.41 -4.49 -4.23 -0.31 -2.94 115.64 102.57 1ugj s THR 125 Ca -0.03 -0.72 -0.05 0.00 -1.18 0.00 0.00 61.69 59.71 1ugj s THR 125 Cb -0.00 -1.13 -0.04 0.00 1.34 0.00 0.00 72.50 72.66 1ugj s THR 125 CO -0.05 0.39 0.70 0.27 -0.54 0.00 0.00 174.62 175.39 1ugj s ILE 126 N -0.31 4.94 0.93 2.99 -4.36 -1.26 0.20 121.20 124.32 1ugj s ILE 126 Ca 0.05 0.15 -0.15 0.00 -0.26 0.00 0.00 60.65 60.43 1ugj s ILE 126 Cb -0.08 -3.82 -0.06 0.00 1.25 0.00 0.00 42.46 39.76 1ugj s ILE 126 CO -0.00 -0.64 -0.09 0.00 0.24 0.00 0.00 174.94 174.44 1ugj n GLN 127 N -1.76 -0.10 -0.01 0.37 6.02 0.11 -4.52 117.38 117.49 1ugj n GLN 127 Ca -0.00 -0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.81 1ugj n GLN 127 Cb 0.55 -1.47 -0.12 0.00 1.02 0.00 0.00 30.24 30.21 1ugj n GLN 127 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1ugj h GLY 128 N -1.14 0.26 -0.19 1.08 0.00 -1.96 -3.27 103.07 97.84 1ugj h GLY 128 Ca -0.44 -0.52 0.25 0.00 0.00 0.00 0.00 47.33 46.62 1ugj h GLY 128 CO 0.31 0.46 0.55 1.12 0.00 0.00 0.00 176.54 178.98 1ugj h HIS 129 N -0.46 0.94 -0.24 5.60 2.07 -1.99 0.16 115.15 121.23 1ugj h HIS 129 Ca -0.06 0.04 0.06 0.00 -2.85 0.00 0.00 60.37 57.55 1ugj h HIS 129 Cb 1.23 -0.26 -0.07 0.00 2.57 0.00 0.00 27.41 30.88 1ugj h HIS 129 CO 0.19 0.02 -0.34 -0.07 -3.07 0.00 0.00 177.93 174.66 1ugj h LEU 130 N 0.52 -1.07 0.00 6.12 3.38 -1.87 -0.13 115.31 122.26 1ugj h LEU 130 Ca 0.64 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.81 1ugj h LEU 130 Cb 1.24 0.47 -0.04 0.00 0.09 0.00 0.00 40.66 42.42 1ugj h LEU 130 CO -0.50 -0.35 -0.26 -0.50 0.09 0.00 0.00 178.44 176.92 1ugj h TRP 131 N -0.35 -0.69 0.00 1.13 4.06 -0.83 -2.97 115.95 116.29 1ugj h TRP 131 Ca 0.12 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.09 1ugj h TRP 131 Cb 0.55 0.30 0.00 0.00 -1.00 0.00 0.00 29.16 29.02 1ugj h TRP 131 CO -0.47 -0.35 0.00 1.04 -3.56 0.00 0.00 178.44 175.10 1ugj n GLN 132 N -5.37 0.00 -2.06 0.49 6.02 -0.45 -4.30 117.38 111.71 1ugj n GLN 132 Ca -0.05 0.93 -0.41 0.00 -0.01 0.00 0.00 57.00 57.45 1ugj n GLN 132 Cb 0.29 -1.44 -0.03 0.00 1.02 0.00 0.00 30.24 30.08 1ugj n GLN 132 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1ugj s SER 133 N -2.98 6.71 -0.44 1.08 1.04 -0.19 -4.90 113.70 114.02 1ugj s SER 133 Ca 0.00 2.59 0.02 0.00 0.48 0.00 0.00 55.95 59.04 1ugj s SER 133 Cb 0.00 -2.62 0.52 0.00 0.10 0.00 0.00 66.02 64.03 1ugj s SER 133 CO 0.00 -0.67 1.86 2.29 0.98 0.00 0.00 173.24 177.70 1ugj n LYS 134 N 2.59 2.18 -3.72 4.02 0.00 -1.26 -4.80 118.16 117.18 1ugj n LYS 134 Ca 0.07 -2.66 0.03 0.00 -0.00 0.00 0.00 58.31 55.75 1ugj n LYS 134 Cb 0.41 -2.04 0.00 0.00 -0.00 0.00 0.00 35.03 33.40 1ugj n LYS 134 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1ugj s LYS 135 N -2.97 0.28 0.47 -1.58 1.02 -1.26 -5.16 119.74 110.54 1ugj s LYS 135 Ca 0.51 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 56.33 1ugj s LYS 135 Cb 0.42 0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.82 1ugj s LYS 135 CO 0.07 -0.13 0.00 0.45 -0.92 0.00 0.00 175.35 174.81 1ugj n SER 136 N -0.66 -6.48 0.00 2.83 2.88 -1.26 -5.05 113.62 105.88 1ugj n SER 136 Ca -0.05 1.38 0.00 0.00 -1.33 0.00 0.00 58.87 58.87 1ugj n SER 136 Cb 0.62 -3.80 0.00 0.00 -0.75 0.00 0.00 64.21 60.28 1ugj n SER 136 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugj n GLY 137 N -2.80 1.13 0.10 0.46 0.00 -1.26 -5.02 105.19 97.80 1ugj n GLY 137 Ca -0.02 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 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 0.19 0.00 1.61 0.13 -1.99 -3.49 132.00 128.46 1ugj h PRO 138 Ca 0.00 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1ugj h PRO 138 Cb 0.00 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1ugj h PRO 138 CO 0.00 0.90 0.00 0.45 -0.23 0.00 0.00 178.00 179.12 1ugj n SER 139 N -4.51 0.00 0.00 1.44 2.88 -1.26 -5.00 113.62 107.17 1ugj n SER 139 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1ugj n SER 139 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1ugj n SER 139 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ugj n SER 140 N 0.00 0.00 0.00 -3.46 2.88 -1.26 -5.24 113.62 106.54 1ugj n SER 140 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ugj n SER 140 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ugj n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42