#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 -1.28 0.00 1.61 0.01 -1.26 -5.06 113.70 107.72 1ugj s SER 2 Ca 0.00 -1.39 0.00 0.00 1.31 0.00 0.00 55.95 55.87 1ugj s SER 2 Cb 0.00 1.68 0.00 0.00 0.21 0.00 0.00 66.02 67.91 1ugj s SER 2 CO 0.00 -0.06 0.00 -1.20 0.41 0.00 0.00 173.24 172.39 1ugj n SER 3 N 3.12 0.00 -3.93 2.44 7.64 -1.26 -5.10 113.62 116.53 1ugj n SER 3 Ca 0.16 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.75 1ugj n SER 3 Cb 0.57 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.65 1ugj n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ugj s GLY 4 N 0.00 2.78 -0.31 0.23 0.00 -1.26 -4.98 107.32 103.78 1ugj s GLY 4 Ca 0.00 -3.65 0.04 0.00 0.00 0.00 0.00 44.72 41.11 1ugj s GLY 4 CO 0.00 1.06 0.50 -0.45 0.00 0.00 0.00 173.10 174.21 1ugj s SER 5 N -0.97 -0.53 -1.23 1.64 0.15 -1.26 -5.07 113.70 106.42 1ugj s SER 5 Ca 0.22 -0.28 -0.18 0.00 0.70 0.00 0.00 55.95 56.41 1ugj s SER 5 Cb -0.12 1.52 0.09 0.00 -1.71 0.00 0.00 66.02 65.80 1ugj s SER 5 CO -0.11 -0.31 1.62 -0.44 1.20 0.00 0.00 173.24 175.20 1ugj s SER 6 N 2.51 6.84 0.00 5.45 0.01 -1.26 -4.53 113.70 122.72 1ugj s SER 6 Ca 0.11 -2.43 0.00 0.00 1.31 0.00 0.00 55.95 54.94 1ugj s SER 6 Cb -0.11 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1ugj s SER 6 CO -0.25 -1.12 0.00 0.61 0.41 0.00 0.00 173.24 172.89 1ugj n GLY 7 N 5.32 0.51 3.57 3.44 0.00 -1.26 -4.78 105.19 111.99 1ugj n GLY 7 Ca 0.44 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.11 1ugj n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugj s PRO 8 N 0.16 3.19 0.20 1.61 0.04 -1.26 -4.88 135.00 134.06 1ugj s PRO 8 Ca 0.00 -1.25 0.02 0.00 0.04 0.00 0.00 61.00 59.81 1ugj s PRO 8 Cb 0.00 -5.33 -0.01 0.00 0.04 0.00 0.00 34.50 29.21 1ugj s PRO 8 CO 0.00 -2.98 0.07 0.54 0.04 0.00 0.00 177.00 174.67 1ugj n ARG 9 N 8.55 0.77 0.00 4.56 5.12 -1.26 -5.16 116.66 129.24 1ugj n ARG 9 Ca 0.43 -1.68 0.00 0.00 -1.93 0.00 0.00 57.85 54.66 1ugj n ARG 9 Cb 0.47 0.91 0.00 0.00 -1.16 0.00 0.00 32.46 32.69 1ugj n ARG 9 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1ugj n LEU 10 N 0.00 0.00 0.00 0.55 4.77 -1.26 -5.09 117.00 115.97 1ugj n LEU 10 Ca -0.03 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.79 1ugj n LEU 10 Cb 0.30 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 1ugj n LEU 10 CO 0.16 0.00 -0.10 0.00 -1.33 0.00 0.00 177.39 176.12 1ugj n TYR 11 N 0.00 -0.17 -3.61 -1.77 9.36 -1.26 -5.15 117.16 114.56 1ugj n TYR 11 Ca 0.00 -1.88 -0.14 0.00 3.32 0.00 0.00 57.90 59.19 1ugj n TYR 11 Cb 0.00 0.08 -0.07 0.00 -0.63 0.00 0.00 39.34 38.72 1ugj n TYR 11 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1ugj s LYS 12 N -3.03 0.86 0.68 2.98 2.47 -1.26 -5.15 119.74 117.28 1ugj s LYS 12 Ca 0.20 0.88 -0.17 0.00 -1.56 0.00 0.00 55.97 55.31 1ugj s LYS 12 Cb 0.01 0.41 -0.12 0.00 -1.46 0.00 0.00 37.83 36.67 1ugj s LYS 12 CO 0.14 -0.13 -0.12 0.39 0.16 0.00 0.00 175.35 175.79 1ugj n GLU 13 N 2.41 0.09 -0.12 4.03 1.02 -1.26 -4.96 120.64 121.85 1ugj n GLU 13 Ca -0.15 0.04 -0.02 0.00 -0.02 0.00 0.00 57.16 57.01 1ugj n GLU 13 Cb 0.55 -1.21 0.02 0.00 -0.02 0.00 0.00 31.44 30.78 1ugj n GLU 13 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1ugj n PRO 14 N 1.18 -0.63 -3.73 3.49 -0.04 -1.26 -4.49 135.00 129.52 1ugj n PRO 14 Ca 0.06 -0.15 -0.27 0.00 -0.04 0.00 0.00 63.50 63.10 1ugj n PRO 14 Cb 0.50 -0.12 0.03 0.00 -0.04 0.00 0.00 33.50 33.87 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 -3.11 -3.48 -3.62 3.54 2.88 -1.26 -4.95 113.62 103.62 1ugj n SER 15 Ca 0.01 -0.96 0.00 0.00 -1.33 0.00 0.00 58.87 56.59 1ugj n SER 15 Cb 0.05 -3.52 0.00 0.00 -0.75 0.00 0.00 64.21 59.99 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 -4.20 0.00 -2.46 -1.46 0.00 -1.26 -5.07 120.51 106.06 1ugj n ALA 16 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1ugj n ALA 16 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1ugj n ALA 16 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1ugj n LYS 17 N -0.50 3.67 0.00 0.00 2.85 -1.26 -5.17 118.16 117.75 1ugj n LYS 17 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1ugj n LYS 17 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1ugj n LYS 17 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1ugj n SER 18 N 0.00 0.00 -3.13 -5.58 3.41 -1.26 -4.85 113.62 102.21 1ugj n SER 18 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 1ugj n SER 18 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 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 0.00 7.44 -0.07 4.04 6.94 -0.80 -4.54 115.26 128.27 1ugj n ASN 19 Ca 0.00 -3.74 -0.19 0.00 -0.02 0.00 0.00 54.58 50.63 1ugj n ASN 19 Cb 0.00 -1.12 -0.12 0.00 -2.36 0.00 0.00 39.78 36.18 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 3.41 0.05 0.00 -3.83 3.64 -1.93 -3.19 116.57 114.72 1ugj h LYS 20 Ca 0.55 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 1ugj h LYS 20 Cb 0.16 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1ugj h LYS 20 CO 1.33 1.04 0.00 0.74 -2.27 0.00 0.00 179.45 180.29 1ugj h PHE 21 N -0.85 0.00 0.00 1.91 0.04 -1.98 0.32 116.94 116.37 1ugj h PHE 21 Ca -0.22 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.39 1ugj h PHE 21 Cb 1.30 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.43 1ugj h PHE 21 CO 0.16 0.00 -0.77 0.82 -0.60 0.00 0.00 178.31 177.92 1ugj h ILE 22 N 0.00 1.25 0.13 -0.55 2.04 -1.88 -3.28 117.51 115.21 1ugj h ILE 22 Ca 0.00 -2.78 -0.36 0.00 1.00 0.00 0.00 64.86 62.72 1ugj h ILE 22 Cb 0.28 2.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 1ugj h ILE 22 CO 0.00 0.71 -1.92 0.40 0.00 0.00 0.00 178.15 177.35 1ugj h ILE 23 N 0.00 0.72 -1.13 -0.67 1.08 -1.17 -2.95 117.51 113.38 1ugj h ILE 23 Ca -0.02 -2.41 0.33 0.00 -0.39 0.00 0.00 64.86 62.37 1ugj h ILE 23 Cb 1.58 2.56 -0.05 0.00 -3.07 0.00 0.00 36.82 37.85 1ugj h ILE 23 CO 0.10 0.87 0.87 -0.74 -0.69 0.00 0.00 178.15 178.55 1ugj h HIS 24 N 0.08 0.00 0.06 1.37 2.76 -0.52 0.28 115.15 119.19 1ugj h HIS 24 Ca -0.39 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.46 1ugj h HIS 24 Cb 2.05 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.98 1ugj h HIS 24 CO 0.08 0.00 -1.76 0.09 -1.30 0.00 0.00 177.93 175.04 1ugj n ASN 25 N -4.03 2.01 -0.48 3.26 3.02 -1.24 -3.88 115.26 113.92 1ugj n ASN 25 Ca 0.24 0.28 0.43 0.00 -0.03 0.00 0.00 54.58 55.51 1ugj n ASN 25 Cb 1.24 -0.88 0.75 0.00 -0.61 0.00 0.00 39.78 40.28 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 -0.21 3.44 0.03 5.41 0.00 -0.30 1.53 119.26 129.16 1ugj h ALA 26 Ca -0.42 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ugj h ALA 26 Cb 1.72 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1ugj h ALA 26 CO -0.06 -1.96 -0.01 -0.07 0.00 0.00 0.00 179.25 177.14 1ugj h LEU 27 N 0.00 -0.03 0.00 0.00 3.38 -1.38 -2.27 115.31 115.01 1ugj h LEU 27 Ca 0.73 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ugj h LEU 27 Cb 3.06 0.01 0.00 0.00 0.09 0.00 0.00 40.66 43.82 1ugj h LEU 27 CO -0.01 0.66 0.00 -0.24 0.09 0.00 0.00 178.44 178.94 1ugj n SER 28 N -4.77 0.00 -0.05 -0.43 2.88 0.39 0.70 113.62 112.34 1ugj n SER 28 Ca -0.09 -0.78 -0.17 0.00 -1.33 0.00 0.00 58.87 56.50 1ugj n SER 28 Cb 0.33 -0.02 -0.13 0.00 -0.75 0.00 0.00 64.21 63.64 1ugj n SER 28 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1ugj h HIS 29 N 0.00 0.12 0.00 0.66 3.86 0.17 -3.44 115.15 116.52 1ugj h HIS 29 Ca 0.00 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1ugj h HIS 29 Cb 0.02 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1ugj h HIS 29 CO 0.00 1.21 0.00 0.00 0.86 0.00 0.00 177.93 180.00 1ugj n LEU 32 N -5.46 1.48 -4.70 0.00 4.77 0.02 -3.13 117.00 109.98 1ugj n LEU 32 Ca 0.23 -2.63 -0.37 0.00 -0.03 0.00 0.00 56.01 53.20 1ugj n LEU 32 Cb 0.74 0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.93 1ugj n LEU 32 CO -0.05 0.83 0.05 0.00 -1.33 0.00 0.00 177.39 176.89 1ugj s ALA 33 N -1.93 3.56 0.00 -1.18 0.00 0.22 -4.52 121.76 117.91 1ugj s ALA 33 Ca 0.32 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1ugj s ALA 33 Cb 0.36 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.96 1ugj s ALA 33 CO -0.10 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1ugj n GLY 34 N 3.60 0.59 0.13 0.00 0.00 -1.26 -4.78 105.19 103.47 1ugj n GLY 34 Ca -0.10 -1.80 -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 0.58 0.00 0.00 0.00 173.32 173.90 1ugj n LYS 35 N -0.04 0.67 -0.24 1.61 0.00 -1.26 -3.80 118.16 115.10 1ugj n LYS 35 Ca 0.00 0.24 0.21 0.00 -0.00 0.00 0.00 58.31 58.76 1ugj n LYS 35 Cb 0.00 -1.60 0.54 0.00 -0.00 0.00 0.00 35.03 33.97 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 -0.20 0.64 -0.83 0.58 -1.51 -1.98 0.65 116.25 113.61 1ugj h VAL 36 Ca -0.53 -0.12 -0.54 0.00 -1.23 0.00 0.00 66.70 64.28 1ugj h VAL 36 Cb 1.85 0.26 -0.30 0.00 -2.13 0.00 0.00 31.29 30.98 1ugj h VAL 36 CO -0.09 0.06 0.28 0.59 -1.23 0.00 0.00 177.57 177.19 1ugj n ASN 37 N -4.49 5.61 0.11 4.19 3.02 -1.26 -4.54 115.26 117.90 1ugj n ASN 37 Ca 0.20 -3.76 -0.23 0.00 -0.03 0.00 0.00 54.58 50.76 1ugj n ASN 37 Cb 0.75 -0.75 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 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 1.73 0.51 -0.02 3.52 4.81 0.24 -1.82 114.58 123.56 1ugj h GLU 38 Ca 0.49 -0.81 -0.08 0.00 -0.13 0.00 0.00 59.36 58.83 1ugj h GLU 38 Cb 1.42 0.29 0.01 0.00 0.63 0.00 0.00 28.75 31.10 1ugj h GLU 38 CO 1.13 1.38 -0.30 -1.00 -0.73 0.00 0.00 179.01 179.50 1ugj h PRO 39 N 0.07 0.23 0.54 0.92 0.13 -1.80 -3.14 132.00 128.95 1ugj h PRO 39 Ca -0.21 -0.23 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 1ugj h PRO 39 Cb 1.98 0.06 0.01 0.00 0.13 0.00 0.00 31.00 33.17 1ugj h PRO 39 CO 0.24 0.92 -0.26 0.37 -0.23 0.00 0.00 178.00 179.04 1ugj h GLN 40 N -0.38 -0.70 -0.92 0.86 4.15 -1.85 -2.33 115.11 113.94 1ugj h GLN 40 Ca -0.03 0.05 0.16 0.00 0.77 0.00 0.00 58.65 59.59 1ugj h GLN 40 Cb 1.01 0.16 -0.16 0.00 0.21 0.00 0.00 27.48 28.71 1ugj h GLN 40 CO 0.06 -0.40 -0.31 1.17 -1.93 0.00 0.00 178.83 177.42 1ugj n LYS 41 N -5.33 -0.17 -0.12 1.69 4.81 -0.68 0.20 118.16 118.56 1ugj n LYS 41 Ca -0.12 1.42 -0.05 0.00 -0.87 0.00 0.00 58.31 58.70 1ugj n LYS 41 Cb 0.33 -2.12 0.03 0.00 0.02 0.00 0.00 35.03 33.29 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 0.07 -0.88 3.14 2.35 -1.48 0.41 115.58 119.19 1ugj h ASN 42 Ca 0.36 0.06 0.09 0.00 -0.55 0.00 0.00 56.30 56.26 1ugj h ASN 42 Cb 0.59 0.07 -0.06 0.00 0.05 0.00 0.00 38.32 38.97 1ugj h ASN 42 CO -0.93 0.07 0.57 0.03 -1.65 0.00 0.00 177.43 175.53 1ugj h ARG 43 N 0.25 0.88 0.21 0.81 2.47 0.29 0.09 114.38 119.38 1ugj h ARG 43 Ca 0.19 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 1ugj h ARG 43 Cb 0.21 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1ugj h ARG 43 CO -0.23 0.58 -0.10 0.82 0.56 0.00 0.00 179.97 181.61 1ugj h ILE 44 N 0.91 0.84 -0.84 2.04 1.08 0.15 0.22 117.51 121.91 1ugj h ILE 44 Ca 0.40 -0.88 0.21 0.00 -0.39 0.00 0.00 64.86 64.20 1ugj h ILE 44 Cb 0.35 1.31 -0.13 0.00 -3.07 0.00 0.00 36.82 35.28 1ugj h ILE 44 CO -0.17 0.18 0.23 -0.07 -0.69 0.00 0.00 178.15 177.63 1ugj h LEU 45 N -0.76 0.03 0.11 1.44 3.38 0.29 0.45 115.31 120.25 1ugj h LEU 45 Ca -0.03 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1ugj h LEU 45 Cb 0.51 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1ugj h LEU 45 CO 0.05 -0.10 -0.05 -0.33 0.09 0.00 0.00 178.44 178.09 1ugj h GLU 46 N 0.25 -0.15 -0.85 1.13 4.39 -0.94 -2.53 114.58 115.88 1ugj h GLU 46 Ca 0.51 0.01 0.19 0.00 0.34 0.00 0.00 59.36 60.41 1ugj h GLU 46 Cb 0.97 0.03 -0.16 0.00 -0.10 0.00 0.00 28.75 29.49 1ugj h GLU 46 CO -0.60 -0.10 -0.14 0.39 -1.16 0.00 0.00 179.01 177.40 1ugj n GLU 47 N -2.71 -0.07 0.02 2.33 -0.58 0.77 0.21 120.64 120.60 1ugj n GLU 47 Ca -0.02 1.32 -0.10 0.00 -0.42 0.00 0.00 57.16 57.94 1ugj n GLU 47 Cb 0.06 -2.00 -0.03 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 0.58 -0.23 -3.67 2.04 -0.18 1.52 117.51 117.57 1ugj h ILE 48 Ca 0.44 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.27 1ugj h ILE 48 Cb 0.76 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1ugj h ILE 48 CO -0.86 0.00 0.01 -0.33 0.00 0.00 0.00 178.15 176.97 1ugj h GLU 49 N -0.22 0.40 0.00 2.37 4.39 0.23 -2.25 114.58 119.50 1ugj h GLU 49 Ca 0.08 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1ugj h GLU 49 Cb 0.34 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1ugj h GLU 49 CO -0.22 0.57 -0.05 1.57 -1.16 0.00 0.00 179.01 179.72 1ugj h LYS 50 N 0.18 0.00 -6.53 2.33 2.10 0.29 -3.41 116.57 111.53 1ugj h LYS 50 Ca 0.07 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.19 1ugj h LYS 50 Cb 0.39 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.69 1ugj h LYS 50 CO 0.01 0.05 0.20 0.45 -2.00 0.00 0.00 179.45 178.16 1ugj s SER 51 N -5.90 7.41 -0.31 7.07 0.15 0.52 -4.94 113.70 117.70 1ugj s SER 51 Ca -0.04 1.67 0.02 0.00 0.70 0.00 0.00 55.95 58.30 1ugj s SER 51 Cb 0.13 -2.51 0.40 0.00 -1.71 0.00 0.00 66.02 62.33 1ugj s SER 51 CO 0.53 0.18 1.66 1.17 1.20 0.00 0.00 173.24 177.98 1ugj n LYS 52 N 1.73 1.83 -3.14 5.44 4.81 -1.26 -4.88 118.16 122.69 1ugj n LYS 52 Ca -0.05 -1.92 -0.32 0.00 -0.87 0.00 0.00 58.31 55.15 1ugj n LYS 52 Cb 0.49 -1.75 -0.05 0.00 0.02 0.00 0.00 35.03 33.73 1ugj n LYS 52 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ugj s ALA 53 N -2.13 3.38 -0.26 3.14 0.00 -1.26 -4.98 121.76 119.65 1ugj s ALA 53 Ca 0.37 -0.07 0.06 0.00 0.00 0.00 0.00 51.96 52.31 1ugj s ALA 53 Cb 0.31 -2.69 -0.06 0.00 0.00 0.00 0.00 23.12 20.67 1ugj s ALA 53 CO 0.06 0.30 0.24 0.27 0.00 0.00 0.00 175.76 176.63 1ugj n ASN 54 N -0.50 0.50 -3.71 0.00 6.94 -1.26 -4.91 115.26 112.31 1ugj n ASN 54 Ca 0.03 -0.59 -0.27 0.00 -0.02 0.00 0.00 54.58 53.72 1ugj n ASN 54 Cb 0.53 1.02 -0.16 0.00 -2.36 0.00 0.00 39.78 38.80 1ugj n ASN 54 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1ugj s HIS 55 N -1.60 0.89 0.37 -2.53 5.04 -1.26 -1.91 115.29 114.29 1ugj s HIS 55 Ca 0.02 -0.79 0.08 0.00 -1.54 0.00 0.00 55.06 52.83 1ugj s HIS 55 Cb 0.04 -0.99 -0.03 0.00 0.04 0.00 0.00 32.58 31.65 1ugj s HIS 55 CO 0.24 -0.60 0.27 -0.06 -2.34 0.00 0.00 174.74 172.24 1ugj s PHE 56 N 1.90 2.76 -0.06 3.88 0.08 -1.26 0.19 117.98 125.47 1ugj s PHE 56 Ca -0.00 -0.41 -0.22 0.00 0.12 0.00 0.00 56.93 56.41 1ugj s PHE 56 Cb -0.17 -1.89 0.05 0.00 -0.57 0.00 0.00 43.02 40.44 1ugj s PHE 56 CO -0.09 0.13 0.51 -0.51 -0.10 0.00 0.00 175.22 175.16 1ugj s LEU 57 N -3.99 0.05 -0.19 -0.37 1.02 0.27 -4.71 118.68 110.76 1ugj s LEU 57 Ca 0.42 0.54 -0.09 0.00 0.02 0.00 0.00 54.13 55.02 1ugj s LEU 57 Cb -0.03 1.91 -0.05 0.00 0.02 0.00 0.00 46.19 48.04 1ugj s LEU 57 CO 0.25 -0.47 0.10 -0.63 0.02 0.00 0.00 176.35 175.63 1ugj s ILE 58 N -0.97 5.13 -0.40 -0.59 1.01 -1.26 -0.72 121.20 123.40 1ugj s ILE 58 Ca -0.10 0.09 -0.20 0.00 0.00 0.00 0.00 60.65 60.44 1ugj s ILE 58 Cb -0.03 -3.32 0.01 0.00 0.01 0.00 0.00 42.46 39.13 1ugj s ILE 58 CO 0.06 0.46 0.60 -0.22 0.00 0.00 0.00 174.94 175.84 1ugj s LEU 59 N 0.28 4.45 0.00 2.97 2.96 0.51 -3.13 118.68 126.72 1ugj s LEU 59 Ca 0.06 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 1ugj s LEU 59 Cb -0.12 -2.69 0.11 0.00 0.50 0.00 0.00 46.19 44.00 1ugj s LEU 59 CO -0.01 -0.67 0.82 0.49 -1.32 0.00 0.00 176.35 175.66 1ugj n PHE 60 N 6.07 -2.83 -2.91 5.38 3.72 -1.23 0.18 117.46 125.84 1ugj n PHE 60 Ca -0.03 -1.62 -0.41 0.00 -0.05 0.00 0.00 57.45 55.35 1ugj n PHE 60 Cb 0.48 -0.59 0.01 0.00 -0.94 0.00 0.00 39.48 38.44 1ugj n PHE 60 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1ugj n ARG 61 N -2.47 4.64 0.00 -1.08 0.00 -1.25 -4.76 116.66 111.74 1ugj n ARG 61 Ca 0.14 -4.62 0.00 0.00 -0.00 0.00 0.00 57.85 53.38 1ugj n ARG 61 Cb 0.52 -2.47 0.00 0.00 0.00 0.00 0.00 32.46 30.51 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 0.76 0.00 -3.63 6.15 9.92 -1.26 -4.01 116.55 124.48 1ugj n ASP 62 Ca 0.33 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 54.31 1ugj n ASP 62 Cb 0.31 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.64 1ugj n ASP 62 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1ugj s SER 63 N -4.00 3.37 0.00 -2.24 0.15 -1.26 -4.87 113.70 104.85 1ugj s SER 63 Ca 0.00 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 55.46 1ugj s SER 63 Cb 0.00 -0.50 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 1ugj s SER 63 CO 0.00 -0.40 0.00 -1.54 1.20 0.00 0.00 173.24 172.50 1ugj n SER 64 N 5.13 0.00 -0.82 5.45 3.41 -1.26 -5.03 113.62 120.50 1ugj n SER 64 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1ugj n SER 64 Cb 0.44 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1ugj n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ugj s GLN 66 N -3.31 0.57 0.06 0.00 -0.21 -1.26 -4.83 119.66 110.67 1ugj s GLN 66 Ca 0.00 -0.82 -0.37 0.00 0.02 0.00 0.00 55.36 54.19 1ugj s GLN 66 Cb 0.00 -1.80 -0.19 0.00 1.00 0.00 0.00 33.01 32.02 1ugj s GLN 66 CO 0.00 -0.93 1.02 0.34 -2.12 0.00 0.00 175.29 173.60 1ugj n PHE 67 N 4.98 0.62 -0.03 0.91 -0.00 -1.18 -3.85 117.46 118.91 1ugj n PHE 67 Ca -0.04 0.96 -0.01 0.00 -0.00 0.00 0.00 57.45 58.35 1ugj n PHE 67 Cb 0.43 -2.12 -0.06 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 1.56 2.16 0.00 -4.13 5.12 0.48 -4.96 116.66 116.89 1ugj n ARG 68 Ca 0.19 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 56.09 1ugj n ARG 68 Cb 0.14 -1.18 0.00 0.00 -1.16 0.00 0.00 32.46 30.26 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 -2.12 0.00 -2.60 7.54 0.00 -1.15 -4.30 120.51 117.89 1ugj n ALA 69 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.00 1ugj n ALA 69 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.97 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 4.39 0.19 0.00 1.98 -0.92 -0.37 118.68 123.96 1ugj s LEU 70 Ca 0.00 0.79 0.00 0.00 -2.89 0.00 0.00 54.13 52.04 1ugj s LEU 70 Cb 0.00 -2.75 -0.04 0.00 0.66 0.00 0.00 46.19 44.05 1ugj s LEU 70 CO 0.00 0.25 0.07 -0.31 -1.89 0.00 0.00 176.35 174.46 1ugj s TYR 71 N -1.26 1.17 0.01 5.38 1.51 0.10 -2.38 117.35 121.89 1ugj s TYR 71 Ca 0.28 -1.20 0.07 0.00 -1.01 0.00 0.00 57.07 55.21 1ugj s TYR 71 Cb -0.15 -0.65 -0.02 0.00 -0.11 0.00 0.00 41.96 41.03 1ugj s TYR 71 CO 0.15 -0.42 -0.21 0.95 -1.11 0.00 0.00 175.55 174.92 1ugj s THR 72 N -3.90 1.65 -0.11 -0.71 -4.23 -0.10 -0.57 115.64 107.67 1ugj s THR 72 Ca 0.30 -1.05 -0.13 0.00 -1.18 0.00 0.00 61.69 59.64 1ugj s THR 72 Cb 0.07 -1.40 -0.05 0.00 1.34 0.00 0.00 72.50 72.46 1ugj s THR 72 CO 0.07 0.33 0.30 -0.22 -0.54 0.00 0.00 174.62 174.56 1ugj s LEU 73 N -0.84 4.33 -0.30 4.79 2.96 0.51 0.86 118.68 130.98 1ugj s LEU 73 Ca 0.08 0.62 -0.25 0.00 -0.22 0.00 0.00 54.13 54.35 1ugj s LEU 73 Cb -0.08 -2.38 0.01 0.00 0.50 0.00 0.00 46.19 44.23 1ugj s LEU 73 CO 0.01 0.21 0.87 -0.44 -1.32 0.00 0.00 176.35 175.68 1ugj s SER 74 N -0.17 6.76 0.53 3.68 0.01 -0.11 -4.37 113.70 120.02 1ugj s SER 74 Ca 0.18 0.80 0.29 0.00 1.31 0.00 0.00 55.95 58.53 1ugj s SER 74 Cb -0.14 -2.45 1.46 0.00 0.21 0.00 0.00 66.02 65.10 1ugj s SER 74 CO 0.06 -0.68 2.06 1.23 0.41 0.00 0.00 173.24 176.32 1ugj h GLY 75 N 9.61 0.00 1.91 3.44 0.00 -1.96 -1.89 103.07 114.19 1ugj h GLY 75 Ca -0.23 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 1ugj h GLY 75 CO 0.93 0.00 -0.32 1.05 0.00 0.00 0.00 176.54 178.19 1ugj h GLU 76 N 0.00 0.10 0.00 4.80 9.09 -1.95 -3.46 114.58 123.16 1ugj h GLU 76 Ca -0.00 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.37 1ugj h GLU 76 Cb 0.37 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.46 1ugj h GLU 76 CO 0.01 0.42 0.00 0.25 0.05 0.00 0.00 179.01 179.74 1ugj n THR 77 N -4.13 0.00 -0.15 -1.06 -2.24 -0.71 -4.93 114.28 101.06 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 0.39 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1ugj n THR 77 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1ugj n GLU 78 N 0.00 0.13 -2.03 -0.78 0.28 -1.25 -4.70 120.64 112.29 1ugj n GLU 78 Ca 0.00 -0.35 -0.30 0.00 -0.16 0.00 0.00 57.16 56.35 1ugj n GLU 78 Cb 0.00 -0.84 0.03 0.00 1.43 0.00 0.00 31.44 32.06 1ugj n GLU 78 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1ugj s GLU 79 N -0.12 3.14 0.05 3.44 8.01 -1.26 -4.49 118.70 127.47 1ugj s GLU 79 Ca 0.00 0.45 0.00 0.00 0.01 0.00 0.00 54.97 55.43 1ugj s GLU 79 Cb 0.00 -2.11 0.00 0.00 -4.31 0.00 0.00 34.13 27.72 1ugj s GLU 79 CO 0.00 -0.78 0.04 1.28 0.01 0.00 0.00 175.26 175.81 1ugj n LEU 80 N -2.80 0.00 -3.70 1.80 4.77 0.24 -0.94 117.00 116.37 1ugj n LEU 80 Ca 0.06 -0.26 -0.11 0.00 -0.03 0.00 0.00 56.01 55.66 1ugj n LEU 80 Cb 0.56 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.55 1ugj n LEU 80 CO 0.57 -0.30 0.11 -0.55 -1.33 0.00 0.00 177.39 175.89 1ugj s SER 81 N -1.30 -0.53 -0.56 -1.43 0.15 0.25 -3.92 113.70 106.36 1ugj s SER 81 Ca 0.03 0.94 -0.27 0.00 0.70 0.00 0.00 55.95 57.36 1ugj s SER 81 Cb -0.00 0.88 -0.02 0.00 -1.71 0.00 0.00 66.02 65.17 1ugj s SER 81 CO 0.02 -0.18 1.87 -0.60 1.20 0.00 0.00 173.24 175.55 1ugj s ARG 82 N 0.88 2.71 -0.03 5.44 3.52 0.31 -0.93 118.95 130.85 1ugj s ARG 82 Ca -0.05 0.77 -0.10 0.00 -0.13 0.00 0.00 55.73 56.22 1ugj s ARG 82 Cb -0.06 -4.37 -0.05 0.00 -1.56 0.00 0.00 34.95 28.91 1ugj s ARG 82 CO -0.07 -2.62 0.50 1.25 -0.81 0.00 0.00 175.30 173.54 1ugj h LEU 83 N 16.15 -0.30 -7.83 -0.88 5.85 -1.82 -3.48 115.31 122.99 1ugj h LEU 83 Ca -0.27 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.47 1ugj h LEU 83 Cb 1.17 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.19 1ugj h LEU 83 CO 1.19 0.03 0.09 0.00 -0.34 0.00 0.00 178.44 179.41 1ugj s ALA 84 N -3.56 -0.98 0.00 1.25 0.00 -1.00 -5.05 121.76 112.43 1ugj s ALA 84 Ca -0.05 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1ugj s ALA 84 Cb 0.01 0.89 0.00 0.00 0.00 0.00 0.00 23.12 24.02 1ugj s ALA 84 CO 0.15 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.43 1ugj n GLY 85 N -0.40 1.32 0.00 0.00 0.00 -1.26 -2.16 105.19 102.70 1ugj n GLY 85 Ca -0.07 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1ugj n GLY 85 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ugj n TYR 86 N 0.00 0.00 0.00 1.61 4.01 -1.26 -5.03 117.16 116.48 1ugj n TYR 86 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1ugj n TYR 86 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1ugj n TYR 86 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ugj n GLY 87 N -0.19 -0.42 3.69 2.72 0.00 -1.26 -4.71 105.19 105.02 1ugj n GLY 87 Ca 0.00 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 1ugj n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugj s PRO 88 N -2.00 4.36 0.29 1.61 0.04 -1.26 -4.90 135.00 133.14 1ugj s PRO 88 Ca 0.00 1.70 0.05 0.00 0.04 0.00 0.00 61.00 62.79 1ugj s PRO 88 Cb 0.00 -3.53 0.79 0.00 0.04 0.00 0.00 34.50 31.80 1ugj s PRO 88 CO 0.00 -0.42 1.43 -2.13 0.04 0.00 0.00 177.00 175.91 1ugj n ARG 89 N 5.02 -0.07 -4.28 4.56 0.63 -1.26 -4.42 116.66 116.85 1ugj n ARG 89 Ca 0.11 1.35 -0.15 0.00 -0.92 0.00 0.00 57.85 58.23 1ugj n ARG 89 Cb 0.46 -2.19 -0.10 0.00 0.45 0.00 0.00 32.46 31.08 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 -5.80 0.46 0.01 5.15 2.01 -1.26 -0.53 115.64 115.67 1ugj s THR 90 Ca -0.11 -1.99 0.00 0.00 0.31 0.00 0.00 61.69 59.90 1ugj s THR 90 Cb 0.28 -2.51 -0.01 0.00 0.01 0.00 0.00 72.50 70.27 1ugj s THR 90 CO 0.71 -0.09 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.84 1ugj s VAL 91 N -3.83 0.07 0.33 3.82 1.01 -1.25 -4.95 120.40 115.60 1ugj s VAL 91 Ca 0.35 -0.29 0.09 0.00 0.00 0.00 0.00 61.98 62.14 1ugj s VAL 91 Cb 0.07 -0.11 -0.06 0.00 0.00 0.00 0.00 36.38 36.28 1ugj s VAL 91 CO 0.11 -0.14 -0.05 0.42 0.00 0.00 0.00 175.10 175.45 1ugj s THR 92 N -0.43 2.52 -1.42 3.92 -4.23 -1.26 -0.59 115.64 114.14 1ugj s THR 92 Ca -0.04 -2.09 0.23 0.00 -1.18 0.00 0.00 61.69 58.60 1ugj s THR 92 Cb -0.03 -2.70 0.39 0.00 1.34 0.00 0.00 72.50 71.50 1ugj s THR 92 CO -0.00 -0.23 1.74 -0.81 -0.54 0.00 0.00 174.62 174.78 1ugj n PRO 93 N -0.86 0.32 0.03 3.99 -0.04 -1.26 -2.03 135.00 135.14 1ugj n PRO 93 Ca -0.05 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.60 1ugj n PRO 93 Cb 0.62 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.76 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 -1.29 3.27 -0.04 0.55 0.00 -1.26 -3.89 120.51 117.85 1ugj n ALA 94 Ca 0.11 -0.32 0.01 0.00 0.00 0.00 0.00 53.44 53.24 1ugj n ALA 94 Cb 0.18 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.83 0.92 -1.97 0.00 2.81 -0.86 -4.94 117.12 111.26 1ugj n MET 95 Ca 0.04 -0.09 -0.42 0.00 -1.81 0.00 0.00 57.70 55.42 1ugj n MET 95 Cb 0.40 -1.41 -0.03 0.00 -0.71 0.00 0.00 33.22 31.47 1ugj n MET 95 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1ugj s VAL 96 N -2.82 3.45 -0.13 2.03 0.11 -1.00 0.66 120.40 122.70 1ugj s VAL 96 Ca -0.07 0.61 -0.21 0.00 -2.93 0.00 0.00 61.98 59.38 1ugj s VAL 96 Cb 0.08 -3.39 -0.19 0.00 -1.53 0.00 0.00 36.38 31.35 1ugj s VAL 96 CO 0.68 -0.05 0.55 -0.08 -3.33 0.00 0.00 175.10 172.87 1ugj h GLU 97 N 9.44 0.00 -4.03 1.54 4.57 0.58 -3.46 114.58 123.24 1ugj h GLU 97 Ca -0.41 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.60 1ugj h GLU 97 Cb 1.19 0.00 -0.21 0.00 -0.16 0.00 0.00 28.75 29.57 1ugj h GLU 97 CO 0.95 0.72 -0.70 0.20 -1.18 0.00 0.00 179.01 179.00 1ugj s GLY 98 N -4.05 0.26 0.23 1.92 0.00 -1.07 -4.95 107.32 99.67 1ugj s GLY 98 Ca -0.14 -0.62 0.11 0.00 0.00 0.00 0.00 44.72 44.07 1ugj s GLY 98 CO 0.50 -0.69 -0.21 -0.26 0.00 0.00 0.00 173.10 172.44 1ugj s ILE 99 N -1.54 2.48 0.21 0.90 -4.36 -1.26 -0.80 121.20 116.83 1ugj s ILE 99 Ca -0.15 -2.15 -0.06 0.00 -0.26 0.00 0.00 60.65 58.03 1ugj s ILE 99 Cb -0.09 -2.24 -0.02 0.00 1.25 0.00 0.00 42.46 41.35 1ugj s ILE 99 CO -0.01 -0.23 0.27 -0.31 0.24 0.00 0.00 174.94 174.89 1ugj s TYR 100 N -2.01 0.80 0.10 1.37 1.51 0.43 -1.09 117.35 118.45 1ugj s TYR 100 Ca 0.25 -1.09 0.01 0.00 -1.01 0.00 0.00 57.07 55.23 1ugj s TYR 100 Cb -0.07 -0.24 -0.01 0.00 -0.11 0.00 0.00 41.96 41.53 1ugj s TYR 100 CO 0.12 -0.77 0.05 0.36 -1.11 0.00 0.00 175.55 174.20 1ugj n LYS 101 N -0.30 0.65 -3.77 -0.62 -0.00 0.52 0.12 118.16 114.77 1ugj n LYS 101 Ca -0.00 -0.91 -0.27 0.00 -0.00 0.00 0.00 58.31 57.13 1ugj n LYS 101 Cb 0.64 0.56 -0.17 0.00 -0.00 0.00 0.00 35.03 36.06 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 -2.05 1.03 -0.52 5.58 6.14 -1.26 -1.37 117.35 124.90 1ugj s TYR 102 Ca 0.07 -0.72 -0.27 0.00 0.64 0.00 0.00 57.07 56.79 1ugj s TYR 102 Cb 0.00 -1.01 -0.03 0.00 0.42 0.00 0.00 41.96 41.34 1ugj s TYR 102 CO 0.05 -0.54 1.99 -0.80 0.64 0.00 0.00 175.55 176.88 1ugj s ASN 103 N 1.86 5.19 0.00 4.32 0.02 0.39 -4.77 114.94 121.94 1ugj s ASN 103 Ca 0.01 0.73 0.25 0.00 -1.02 0.00 0.00 52.86 52.83 1ugj s ASN 103 Cb -0.16 -2.52 1.49 0.00 0.02 0.00 0.00 41.25 40.08 1ugj s ASN 103 CO -0.07 -2.36 1.85 -1.20 0.02 0.00 0.00 177.10 175.34 1ugj n SER 104 N 13.02 0.00 -0.06 -1.22 7.64 -1.26 0.21 113.62 131.94 1ugj n SER 104 Ca 0.25 -0.77 -0.05 0.00 1.01 0.00 0.00 58.87 59.31 1ugj n SER 104 Cb 0.52 -0.01 -0.11 0.00 -1.01 0.00 0.00 64.21 63.60 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 -1.01 1.56 -0.32 6.43 9.92 -1.26 -4.49 116.55 127.39 1ugj n ASP 105 Ca 0.19 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.48 1ugj n ASP 105 Cb 0.09 0.95 0.05 0.00 -0.64 0.00 0.00 41.12 41.56 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 -2.46 0.72 -3.98 -1.24 1.74 -1.01 -4.99 116.66 105.44 1ugj n ARG 106 Ca -0.20 -1.16 -0.26 0.00 -0.77 0.00 0.00 57.85 55.45 1ugj n ARG 106 Cb 0.89 -1.15 -0.02 0.00 -1.02 0.00 0.00 32.46 31.16 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 0.35 -3.31 -2.60 5.56 2.85 0.55 -4.94 118.16 116.62 1ugj n LYS 107 Ca 0.05 0.40 -0.05 0.00 -1.05 0.00 0.00 58.31 57.66 1ugj n LYS 107 Cb 0.23 -4.59 -0.02 0.00 -0.65 0.00 0.00 35.03 30.00 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 -4.41 0.16 -4.30 -1.58 1.74 -0.82 -4.94 116.66 102.51 1ugj n ARG 108 Ca -0.27 -0.90 -0.26 0.00 -0.77 0.00 0.00 57.85 55.65 1ugj n ARG 108 Cb 0.67 0.72 -0.09 0.00 -1.02 0.00 0.00 32.46 32.73 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 -2.34 2.61 0.08 -1.55 0.40 -1.26 0.15 117.98 116.07 1ugj s PHE 109 Ca 0.10 -0.23 -0.07 0.00 -0.60 0.00 0.00 56.93 56.13 1ugj s PHE 109 Cb 0.01 -1.27 -0.01 0.00 0.51 0.00 0.00 43.02 42.26 1ugj s PHE 109 CO 0.07 0.52 0.15 0.99 0.70 0.00 0.00 175.22 177.66 1ugj s THR 110 N -1.76 0.15 0.13 0.64 2.01 -0.47 -4.80 115.64 111.54 1ugj s THR 110 Ca 0.25 -1.26 -0.04 0.00 0.31 0.00 0.00 61.69 60.95 1ugj s THR 110 Cb -0.08 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.05 1ugj s THR 110 CO 0.15 -0.70 0.35 -1.58 -0.69 0.00 0.00 174.62 172.16 1ugj s GLN 111 N -3.72 3.59 -0.02 4.92 0.74 -1.26 0.20 119.66 124.11 1ugj s GLN 111 Ca 0.04 -0.13 -0.11 0.00 0.05 0.00 0.00 55.36 55.20 1ugj s GLN 111 Cb 0.05 -2.88 -0.05 0.00 1.10 0.00 0.00 33.01 31.22 1ugj s GLN 111 CO -0.10 0.49 0.33 0.42 -0.55 0.00 0.00 175.29 175.88 1ugj s ILE 112 N -1.63 5.18 -1.26 -2.34 -1.09 -0.25 -4.79 121.20 115.01 1ugj s ILE 112 Ca 0.40 0.58 0.22 0.00 -2.23 0.00 0.00 60.65 59.62 1ugj s ILE 112 Cb -0.12 -3.61 0.31 0.00 -1.58 0.00 0.00 42.46 37.45 1ugj s ILE 112 CO 0.25 0.53 1.72 -0.81 -1.23 0.00 0.00 174.94 175.40 1ugj n PRO 113 N 1.68 0.20 -4.01 2.79 -0.04 -1.26 -4.69 135.00 129.66 1ugj n PRO 113 Ca -0.14 0.09 -0.22 0.00 -0.04 0.00 0.00 63.50 63.19 1ugj n PRO 113 Cb 0.53 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 1ugj n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ugj s ALA 114 N -2.74 3.63 -1.25 0.55 0.00 -1.26 -5.02 121.76 115.67 1ugj s ALA 114 Ca 0.17 -1.61 0.11 0.00 0.00 0.00 0.00 51.96 50.63 1ugj s ALA 114 Cb 0.15 -1.09 0.18 0.00 0.00 0.00 0.00 23.12 22.36 1ugj s ALA 114 CO 0.37 0.12 1.03 1.63 0.00 0.00 0.00 175.76 178.90 1ugj n LYS 115 N -1.22 1.52 -3.92 0.00 5.02 -1.26 -4.45 118.16 113.84 1ugj n LYS 115 Ca -0.04 -1.54 -0.22 0.00 -2.02 0.00 0.00 58.31 54.49 1ugj n LYS 115 Cb 0.59 -1.24 -0.04 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 -0.98 3.55 0.99 -0.18 2.01 -1.26 -4.86 115.64 114.92 1ugj s THR 116 Ca 0.18 -1.45 -0.11 0.00 0.31 0.00 0.00 61.69 60.61 1ugj s THR 116 Cb 0.11 -3.16 0.19 0.00 0.01 0.00 0.00 72.50 69.64 1ugj s THR 116 CO 0.15 -0.20 1.09 -0.04 -0.69 0.00 0.00 174.62 174.93 1ugj s MET 117 N -3.94 0.43 0.00 4.92 -1.94 -1.26 -4.98 119.30 112.53 1ugj s MET 117 Ca 0.39 1.11 0.00 0.00 -1.71 0.00 0.00 55.69 55.48 1ugj s MET 117 Cb -0.05 -1.69 0.00 0.00 2.01 0.00 0.00 34.83 35.09 1ugj s MET 117 CO 0.25 -2.89 0.00 0.45 -0.01 0.00 0.00 175.02 172.82 1ugj n SER 118 N -4.37 0.00 0.27 3.03 2.88 -1.26 -4.99 113.62 109.19 1ugj n SER 118 Ca 0.07 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.74 1ugj n SER 118 Cb 0.54 0.00 0.68 0.00 -0.75 0.00 0.00 64.21 64.68 1ugj n SER 118 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1ugj h MET 119 N 0.00 0.00 -1.20 -1.46 4.05 -2.02 0.12 114.93 114.42 1ugj h MET 119 Ca 0.00 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 59.13 1ugj h MET 119 Cb 0.00 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 30.65 1ugj h MET 119 CO 0.00 0.00 0.38 0.43 0.23 0.00 0.00 176.91 177.95 1ugj n SER 120 N -2.60 4.65 -4.24 1.39 7.64 -1.26 -4.85 113.62 114.34 1ugj n SER 120 Ca -0.02 -2.93 -0.22 0.00 1.01 0.00 0.00 58.87 56.72 1ugj n SER 120 Cb 0.33 -0.82 -0.12 0.00 -1.01 0.00 0.00 64.21 62.58 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 -1.96 1.48 0.00 0.44 1.01 0.41 -4.49 120.40 117.28 1ugj s VAL 121 Ca 0.30 -1.43 0.07 0.00 0.00 0.00 0.00 61.98 60.92 1ugj s VAL 121 Cb 0.25 -1.36 0.12 0.00 0.00 0.00 0.00 36.38 35.39 1ugj s VAL 121 CO 0.03 -0.11 0.95 0.47 0.00 0.00 0.00 175.10 176.43 1ugj n ASP 122 N 1.19 -0.07 0.00 3.32 9.92 0.32 -4.88 116.55 126.36 1ugj n ASP 122 Ca -0.20 -1.80 0.00 0.00 -0.53 0.00 0.00 54.79 52.26 1ugj n ASP 122 Cb 0.54 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 1ugj n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ugj n ALA 123 N 0.14 0.00 -3.16 2.24 0.00 -0.84 -4.34 120.51 114.55 1ugj n ALA 123 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 1ugj n ALA 123 Cb 0.79 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.17 1ugj n ALA 123 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1ugj s PHE 124 N -1.00 -0.24 -0.15 0.00 -0.71 -1.18 0.16 117.98 114.86 1ugj s PHE 124 Ca 0.00 0.23 -0.01 0.00 -1.04 0.00 0.00 56.93 56.11 1ugj s PHE 124 Cb 0.00 0.18 0.04 0.00 -1.21 0.00 0.00 43.02 42.03 1ugj s PHE 124 CO 0.00 -0.53 -0.03 0.95 -1.34 0.00 0.00 175.22 174.27 1ugj s THR 125 N -2.23 0.91 1.02 -4.49 -4.23 0.02 -3.56 115.64 103.09 1ugj s THR 125 Ca -0.07 -0.47 -0.12 0.00 -1.18 0.00 0.00 61.69 59.85 1ugj s THR 125 Cb -0.02 -1.11 0.20 0.00 1.34 0.00 0.00 72.50 72.92 1ugj s THR 125 CO -0.01 0.13 1.08 0.27 -0.54 0.00 0.00 174.62 175.55 1ugj s ILE 126 N 1.72 2.17 1.42 2.99 -4.36 -1.26 0.11 121.20 124.00 1ugj s ILE 126 Ca 0.02 0.06 -0.23 0.00 -0.26 0.00 0.00 60.65 60.23 1ugj s ILE 126 Cb -0.15 -2.41 0.36 0.00 1.25 0.00 0.00 42.46 41.52 1ugj s ILE 126 CO -0.07 -0.07 0.84 0.00 0.24 0.00 0.00 174.94 175.87 1ugj n GLN 127 N -4.33 -4.51 -0.06 0.37 1.13 0.21 -4.37 117.38 105.82 1ugj n GLN 127 Ca 0.05 -1.34 -0.20 0.00 -1.94 0.00 0.00 57.00 53.58 1ugj n GLN 127 Cb 0.56 -1.90 -0.13 0.00 0.11 0.00 0.00 30.24 28.87 1ugj n GLN 127 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ugj n GLY 128 N 1.88 -0.46 0.34 1.08 0.00 -1.26 -4.07 105.19 102.69 1ugj n GLY 128 Ca 0.12 -0.23 0.16 0.00 0.00 0.00 0.00 46.02 46.07 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 0.03 0.00 0.52 1.61 2.07 -1.99 -1.43 115.15 115.96 1ugj h HIS 129 Ca -0.50 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 56.99 1ugj h HIS 129 Cb 1.97 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.95 1ugj h HIS 129 CO 0.05 0.00 -0.25 -0.07 -3.07 0.00 0.00 177.93 174.60 1ugj h LEU 130 N 0.00 -0.59 -0.55 6.12 4.07 -1.95 -0.04 115.31 122.37 1ugj h LEU 130 Ca 0.01 0.02 0.11 0.00 0.08 0.00 0.00 57.88 58.10 1ugj h LEU 130 Cb 0.66 0.15 -0.10 0.00 1.08 0.00 0.00 40.66 42.45 1ugj h LEU 130 CO -0.00 -0.37 -0.06 -0.50 -1.08 0.00 0.00 178.44 176.43 1ugj h TRP 131 N -0.80 -0.15 -0.38 1.13 4.06 -1.49 -0.70 115.95 117.62 1ugj h TRP 131 Ca -0.07 0.04 0.07 0.00 2.06 0.00 0.00 58.89 60.99 1ugj h TRP 131 Cb 0.53 0.15 -0.09 0.00 -1.00 0.00 0.00 29.16 28.76 1ugj h TRP 131 CO 0.07 -0.18 -0.40 0.37 -3.56 0.00 0.00 178.44 174.74 1ugj h GLN 132 N 0.06 -0.31 -4.38 0.49 -0.00 -1.37 -3.48 115.11 106.12 1ugj h GLN 132 Ca 0.27 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.95 1ugj h GLN 132 Cb 0.43 0.07 0.00 0.00 0.00 0.00 0.00 27.48 27.98 1ugj h GLN 132 CO -0.51 -0.21 -0.93 0.43 0.00 0.00 0.00 178.83 177.61 1ugj n SER 133 N -5.42 -8.94 -3.29 -0.69 7.64 -0.03 -5.08 113.62 97.80 1ugj n SER 133 Ca -0.01 1.51 0.03 0.00 1.01 0.00 0.00 58.87 61.42 1ugj n SER 133 Cb 0.35 -4.97 -0.04 0.00 -1.01 0.00 0.00 64.21 58.53 1ugj n SER 133 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1ugj s LYS 134 N -0.71 0.09 -0.16 1.43 2.47 -1.26 -5.07 119.74 116.53 1ugj s LYS 134 Ca 0.00 0.20 -0.00 0.00 -1.56 0.00 0.00 55.97 54.61 1ugj s LYS 134 Cb 0.00 0.11 0.00 0.00 -1.46 0.00 0.00 37.83 36.48 1ugj s LYS 134 CO 0.00 -0.03 0.01 1.17 0.16 0.00 0.00 175.35 176.66 1ugj n LYS 135 N 4.40 -2.08 -3.94 4.03 3.00 -1.26 -5.01 118.16 117.30 1ugj n LYS 135 Ca -0.09 1.90 -0.20 0.00 -0.00 0.00 0.00 58.31 59.93 1ugj n LYS 135 Cb 0.55 -3.34 -0.17 0.00 0.00 0.00 0.00 35.03 32.07 1ugj n LYS 135 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1ugj s SER 136 N -1.29 0.94 0.06 3.14 1.04 -1.26 -5.15 113.70 111.18 1ugj s SER 136 Ca -0.01 -0.07 -0.10 0.00 0.48 0.00 0.00 55.95 56.26 1ugj s SER 136 Cb 0.00 -0.34 0.00 0.00 0.10 0.00 0.00 66.02 65.78 1ugj s SER 136 CO 0.42 -0.12 0.21 -0.83 0.98 0.00 0.00 173.24 173.90 1ugj s GLY 137 N 1.32 0.03 0.84 7.32 0.00 -1.26 -5.17 107.32 110.41 1ugj s GLY 137 Ca -0.05 -0.35 -0.12 0.00 0.00 0.00 0.00 44.72 44.20 1ugj s GLY 137 CO -0.02 -0.53 1.11 2.56 0.00 0.00 0.00 173.10 176.22 1ugj s PRO 138 N -2.95 1.69 0.18 2.90 0.04 -1.26 -5.02 135.00 130.58 1ugj s PRO 138 Ca -0.02 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.51 1ugj s PRO 138 Cb 0.01 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1ugj s PRO 138 CO -0.06 -1.86 0.00 0.45 0.04 0.00 0.00 177.00 175.57 1ugj n SER 139 N -3.57 0.36 -4.61 6.66 2.88 -1.26 -5.09 113.62 108.99 1ugj n SER 139 Ca 0.07 0.30 -0.30 0.00 -1.33 0.00 0.00 58.87 57.61 1ugj n SER 139 Cb 0.58 0.07 0.19 0.00 -0.75 0.00 0.00 64.21 64.30 1ugj n SER 139 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ugj n SER 140 N -3.41 -0.28 0.00 -3.46 3.41 -1.26 -5.39 113.62 103.23 1ugj n SER 140 Ca 0.00 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1ugj n SER 140 Cb 0.03 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 62.56 1ugj n SER 140 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49