#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufr s PHE 3 N 0.00 3.63 -0.09 2.89 5.36 -1.26 -1.60 117.98 126.91 1ufr s PHE 3 Ca 0.00 1.00 -0.03 0.00 -0.96 0.00 0.00 56.93 56.95 1ufr s PHE 3 Cb 0.00 -2.48 -0.05 0.00 -0.34 0.00 0.00 43.02 40.16 1ufr s PHE 3 CO 0.00 0.38 -0.11 1.17 -1.46 0.00 0.00 175.22 175.20 1ufr n LYS 4 N 2.79 0.21 -3.57 10.12 4.81 0.06 -4.89 118.16 127.68 1ufr n LYS 4 Ca -0.09 0.07 -0.05 0.00 -0.87 0.00 0.00 58.31 57.37 1ufr n LYS 4 Cb 0.52 -0.97 -0.02 0.00 0.02 0.00 0.00 35.03 34.58 1ufr n LYS 4 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ufr s ALA 5 N -2.17 -1.95 -0.31 3.14 0.00 -0.90 -5.01 121.76 114.56 1ufr s ALA 5 Ca -0.13 1.14 -0.21 0.00 0.00 0.00 0.00 51.96 52.76 1ufr s ALA 5 Cb 0.04 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.37 1ufr s ALA 5 CO 0.18 -0.72 0.64 -2.00 0.00 0.00 0.00 175.76 173.86 1ufr s GLU 6 N -2.79 3.90 0.00 0.00 2.12 -1.26 -0.32 118.70 120.35 1ufr s GLU 6 Ca 0.08 0.31 0.29 0.00 0.36 0.00 0.00 54.97 56.01 1ufr s GLU 6 Cb -0.00 -3.73 1.20 0.00 0.26 0.00 0.00 34.13 31.85 1ufr s GLU 6 CO -0.06 -0.59 1.88 1.28 -0.54 0.00 0.00 175.26 177.24 1ufr n LEU 7 N 5.91 0.11 -4.04 2.70 4.77 0.15 -4.94 117.00 121.66 1ufr n LEU 7 Ca -0.01 0.35 -0.10 0.00 -0.03 0.00 0.00 56.01 56.22 1ufr n LEU 7 Cb 0.49 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1ufr n LEU 7 CO 0.46 0.02 0.07 0.54 -1.33 0.00 0.00 177.39 177.16 1ufr s ASN 9 N -2.87 -0.03 0.20 -1.43 2.20 -1.26 -4.96 114.94 106.79 1ufr s ASN 9 Ca 0.18 -1.02 -0.19 0.00 -0.94 0.00 0.00 52.86 50.89 1ufr s ASN 9 Cb 0.19 0.53 0.18 0.00 -2.00 0.00 0.00 41.25 40.15 1ufr s ASN 9 CO 0.53 -1.05 1.58 0.00 -2.94 0.00 0.00 177.10 175.22 1ufr h ALA 10 N 2.36 0.09 -0.54 3.54 0.00 -1.94 -2.17 119.26 120.61 1ufr h ALA 10 Ca -0.29 0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1ufr h ALA 10 Cb 1.25 0.80 -0.04 0.00 0.00 0.00 0.00 17.79 19.79 1ufr h ALA 10 CO 0.40 -0.62 0.29 -1.35 0.00 0.00 0.00 179.25 177.97 1ufr h PRO 11 N -0.10 0.55 -0.83 0.00 0.11 -2.06 -0.42 132.00 129.25 1ufr h PRO 11 Ca 0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1ufr h PRO 11 Cb 0.56 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1ufr h PRO 11 CO -0.76 0.36 0.00 0.39 -0.21 0.00 0.00 178.00 177.78 1ufr n GLU 12 N -4.84 0.11 0.00 1.05 1.02 -0.82 -1.44 120.64 115.72 1ufr n GLU 12 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1ufr n GLU 12 Cb 0.12 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 1ufr n GLU 12 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1ufr n ARG 14 N 0.65 0.00 -0.12 3.49 0.63 -0.17 -1.82 116.66 119.33 1ufr n ARG 14 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 1ufr n ARG 14 Cb 0.04 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.94 1ufr n ARG 14 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1ufr h ARG 15 N 0.00 0.50 -0.30 -0.14 2.43 -1.50 -1.04 114.38 114.33 1ufr h ARG 15 Ca 0.00 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1ufr h ARG 15 Cb 0.00 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1ufr h ARG 15 CO 0.00 0.38 0.09 0.00 -1.51 0.00 0.00 179.97 178.93 1ufr h ALA 16 N 1.09 0.39 0.00 2.80 0.00 -1.61 -2.17 119.26 119.76 1ufr h ALA 16 Ca 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ufr h ALA 16 Cb 0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ufr h ALA 16 CO -0.02 0.03 -0.10 -0.07 0.00 0.00 0.00 179.25 179.08 1ufr h LEU 17 N 0.32 0.00 -0.22 0.00 3.38 -1.79 0.11 115.31 117.11 1ufr h LEU 17 Ca 0.10 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 1ufr h LEU 17 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1ufr h LEU 17 CO -0.00 0.10 -0.46 1.88 0.09 0.00 0.00 178.44 180.05 1ufr h TYR 18 N 0.00 0.89 -0.33 1.13 -1.99 -0.82 -1.48 116.97 114.38 1ufr h TYR 18 Ca -0.00 -0.32 -0.01 0.00 2.00 0.00 0.00 58.73 60.40 1ufr h TYR 18 Cb 0.18 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 38.73 1ufr h TYR 18 CO 0.00 1.11 0.17 -0.09 -0.00 0.00 0.00 178.16 179.35 1ufr h ARG 19 N 0.41 0.46 -0.03 4.88 2.43 -0.75 -0.98 114.38 120.80 1ufr h ARG 19 Ca 0.01 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1ufr h ARG 19 Cb 1.06 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.47 1ufr h ARG 19 CO 0.10 0.40 -0.38 0.82 -1.51 0.00 0.00 179.97 179.39 1ufr h ILE 20 N 0.40 0.20 -0.54 1.20 1.08 -0.91 0.28 117.51 119.22 1ufr h ILE 20 Ca 0.11 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.67 1ufr h ILE 20 Cb 0.07 0.20 -0.11 0.00 -3.07 0.00 0.00 36.82 33.92 1ufr h ILE 20 CO -0.02 0.00 -0.39 0.00 -0.69 0.00 0.00 178.15 177.05 1ufr h ALA 21 N 0.11 -0.23 0.62 1.87 0.00 -0.95 0.23 119.26 120.90 1ufr h ALA 21 Ca 0.06 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1ufr h ALA 21 Cb 0.62 0.87 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1ufr h ALA 21 CO -0.31 -0.77 -0.36 0.45 0.00 0.00 0.00 179.25 178.25 1ufr h HIS 22 N -0.22 -0.95 -1.00 0.00 3.86 -0.59 -2.11 115.15 114.13 1ufr h HIS 22 Ca 0.19 -0.01 0.24 0.00 -1.16 0.00 0.00 60.37 59.63 1ufr h HIS 22 Cb 0.56 0.33 -0.09 0.00 1.06 0.00 0.00 27.41 29.28 1ufr h HIS 22 CO -0.66 -0.55 0.65 0.93 0.86 0.00 0.00 177.93 179.15 1ufr h GLU 23 N -0.92 0.41 0.01 2.45 5.08 0.24 0.15 114.58 122.00 1ufr h GLU 23 Ca -0.08 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1ufr h GLU 23 Cb 0.74 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1ufr h GLU 23 CO 0.09 0.27 -0.00 0.82 -1.00 0.00 0.00 179.01 179.19 1ufr h ILE 24 N 0.42 1.19 -0.31 3.13 2.04 -0.10 -0.79 117.51 123.09 1ufr h ILE 24 Ca 0.56 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1ufr h ILE 24 Cb 1.37 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 1ufr h ILE 24 CO -0.26 0.15 0.14 0.58 0.00 0.00 0.00 178.15 178.77 1ufr h VAL 25 N -0.27 1.16 -0.86 1.67 2.07 -0.49 -0.74 116.25 118.79 1ufr h VAL 25 Ca -0.00 -0.46 0.10 0.00 0.82 0.00 0.00 66.70 67.15 1ufr h VAL 25 Cb 0.26 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 1ufr h VAL 25 CO 0.00 0.17 0.50 -0.33 0.02 0.00 0.00 177.57 177.93 1ufr h GLU 26 N 0.36 0.81 -0.51 1.57 5.08 -0.75 0.20 114.58 121.34 1ufr h GLU 26 Ca 0.11 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1ufr h GLU 26 Cb 0.13 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1ufr h GLU 26 CO -0.01 0.54 0.14 0.00 -1.00 0.00 0.00 179.01 178.68 1ufr h ALA 27 N 1.47 0.68 -0.15 3.43 0.00 -0.56 -2.39 119.26 121.73 1ufr h ALA 27 Ca 0.41 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ufr h ALA 27 Cb 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ufr h ALA 27 CO -0.25 0.35 0.00 -1.71 0.00 0.00 0.00 179.25 177.65 1ufr n ASN 28 N -4.46 1.16 -2.61 0.00 4.05 -0.34 -4.88 115.26 108.18 1ufr n ASN 28 Ca 0.02 -1.74 -0.15 0.00 0.45 0.00 0.00 54.58 53.15 1ufr n ASN 28 Cb 0.21 -0.10 -0.00 0.00 1.23 0.00 0.00 39.78 41.12 1ufr n ASN 28 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1ufr n LYS 29 N 0.03 -2.52 -0.20 1.20 4.76 0.60 -4.65 118.16 117.38 1ufr n LYS 29 Ca 0.13 0.61 0.00 0.00 -2.87 0.00 0.00 58.31 56.18 1ufr n LYS 29 Cb 0.23 -5.25 0.00 0.00 -1.84 0.00 0.00 35.03 28.17 1ufr n LYS 29 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ufr n GLY 30 N -0.91 0.90 0.07 0.72 0.00 -0.67 -4.88 105.19 100.43 1ufr n GLY 30 Ca -0.13 -1.85 0.08 0.00 0.00 0.00 0.00 46.02 44.12 1ufr n GLY 30 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ufr n THR 31 N 9.00 0.00 -1.68 2.61 -1.04 -1.26 -4.69 114.28 117.22 1ufr n THR 31 Ca 0.00 -0.16 -0.55 0.00 -2.04 0.00 0.00 64.05 61.30 1ufr n THR 31 Cb 0.00 1.04 -0.07 0.00 -1.82 0.00 0.00 70.33 69.48 1ufr n THR 31 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1ufr n GLU 32 N -1.14 1.28 -1.30 -2.82 0.00 -1.26 -1.22 120.64 114.18 1ufr n GLU 32 Ca 0.04 0.47 -0.12 0.00 0.00 0.00 0.00 57.16 57.54 1ufr n GLU 32 Cb 0.27 -2.16 -0.05 0.00 0.00 0.00 0.00 31.44 29.50 1ufr n GLU 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ufr n GLY 33 N 3.76 1.16 3.81 8.31 0.00 -1.26 -4.73 105.19 116.23 1ufr n GLY 33 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 1ufr n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ufr s LEU 34 N -3.25 4.30 -0.13 0.99 2.96 -0.36 -0.27 118.68 122.92 1ufr s LEU 34 Ca 0.00 1.55 -0.29 0.00 -0.22 0.00 0.00 54.13 55.17 1ufr s LEU 34 Cb 0.00 -3.81 0.08 0.00 0.50 0.00 0.00 46.19 42.96 1ufr s LEU 34 CO 0.00 -0.04 0.74 0.00 -1.32 0.00 0.00 176.35 175.73 1ufr s ALA 35 N -1.62 -1.80 0.15 5.97 0.00 -0.66 -4.34 121.76 119.46 1ufr s ALA 35 Ca 0.47 1.55 0.07 0.00 0.00 0.00 0.00 51.96 54.05 1ufr s ALA 35 Cb -0.16 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 1ufr s ALA 35 CO 0.21 -0.35 -0.05 -0.51 0.00 0.00 0.00 175.76 175.06 1ufr s LEU 36 N -0.73 3.17 -0.08 0.00 1.43 -0.51 -0.49 118.68 121.47 1ufr s LEU 36 Ca -0.07 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.60 1ufr s LEU 36 Cb -0.02 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.36 1ufr s LEU 36 CO 0.06 0.13 0.04 -0.69 0.23 0.00 0.00 176.35 176.11 1ufr s VAL 37 N -1.53 0.15 0.13 -1.59 1.01 0.19 0.41 120.40 119.16 1ufr s VAL 37 Ca 0.25 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.21 1ufr s VAL 37 Cb -0.10 -0.43 -0.07 0.00 0.00 0.00 0.00 36.38 35.78 1ufr s VAL 37 CO 0.16 0.13 0.60 -0.83 0.00 0.00 0.00 175.10 175.16 1ufr s GLY 38 N 2.06 2.60 0.28 4.51 0.00 0.00 -0.25 107.32 116.52 1ufr s GLY 38 Ca 0.04 0.01 0.05 0.00 0.00 0.00 0.00 44.72 44.82 1ufr s GLY 38 CO -0.05 0.38 0.16 0.29 0.00 0.00 0.00 173.10 173.88 1ufr n ILE 39 N 1.23 0.00 -4.19 0.90 -5.35 -0.50 -1.33 119.36 110.12 1ufr n ILE 39 Ca -0.07 -1.85 -0.33 0.00 -0.27 0.00 0.00 62.75 60.22 1ufr n ILE 39 Cb 0.51 0.80 -0.04 0.00 -1.74 0.00 0.00 39.64 39.17 1ufr n ILE 39 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 1ufr n HIS 40 N -0.60 -1.62 0.00 4.28 -0.00 -1.14 -1.88 115.22 114.26 1ufr n HIS 40 Ca 0.01 0.76 0.00 0.00 -0.00 0.00 0.00 57.72 58.48 1ufr n HIS 40 Cb 0.47 -3.05 0.00 0.00 -0.00 0.00 0.00 29.99 27.41 1ufr n HIS 40 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1ufr n THR 41 N -4.38 0.00 0.74 3.57 -1.04 -1.26 -3.84 114.28 108.06 1ufr n THR 41 Ca -0.07 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.02 1ufr n THR 41 Cb 0.56 0.00 0.40 0.00 -1.82 0.00 0.00 70.33 69.47 1ufr n THR 41 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ufr n ARG 42 N 0.00 0.21 0.01 -2.82 1.74 -1.26 -2.27 116.66 112.27 1ufr n ARG 42 Ca 0.00 0.14 -0.07 0.00 -0.77 0.00 0.00 57.85 57.15 1ufr n ARG 42 Cb 0.00 -1.50 0.10 0.00 -1.02 0.00 0.00 32.46 30.04 1ufr n ARG 42 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1ufr h GLY 43 N 2.64 0.57 0.53 -0.13 0.00 -1.48 -2.91 103.07 102.30 1ufr h GLY 43 Ca 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 47.33 46.74 1ufr h GLY 43 CO 0.00 0.54 -0.34 -2.22 0.00 0.00 0.00 176.54 174.52 1ufr h ILE 44 N 0.42 0.29 -0.99 2.60 5.03 -1.56 0.23 117.51 123.53 1ufr h ILE 44 Ca 0.03 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.82 1ufr h ILE 44 Cb 0.97 0.29 -0.06 0.00 -3.03 0.00 0.00 36.82 34.99 1ufr h ILE 44 CO 0.09 0.00 0.64 -0.65 -0.68 0.00 0.00 178.15 177.55 1ufr h PRO 45 N -0.64 1.16 -0.55 2.37 0.11 -1.73 -1.67 132.00 131.05 1ufr h PRO 45 Ca 0.00 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.98 1ufr h PRO 45 Cb 0.62 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 1ufr h PRO 45 CO -0.13 0.77 0.09 -0.07 -0.21 0.00 0.00 178.00 178.45 1ufr h LEU 46 N 1.19 0.82 0.25 2.35 3.38 -1.19 -1.59 115.31 120.53 1ufr h LEU 46 Ca 0.41 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1ufr h LEU 46 Cb 0.11 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1ufr h LEU 46 CO -0.15 0.83 -0.12 0.00 0.09 0.00 0.00 178.44 179.09 1ufr h ALA 47 N 1.27 -0.34 -0.81 1.53 0.00 0.33 -0.34 119.26 120.91 1ufr h ALA 47 Ca 0.17 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.12 1ufr h ALA 47 Cb 0.37 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 1ufr h ALA 47 CO 0.01 -0.66 0.41 0.45 0.00 0.00 0.00 179.25 179.45 1ufr h HIS 48 N -0.40 0.72 -0.34 0.00 3.86 -1.16 0.18 115.15 118.00 1ufr h HIS 48 Ca -0.03 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1ufr h HIS 48 Cb 0.31 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1ufr h HIS 48 CO -0.04 0.19 0.08 0.00 0.86 0.00 0.00 177.93 179.01 1ufr h ARG 49 N 0.61 0.55 -0.82 2.45 3.08 -1.01 0.10 114.38 119.34 1ufr h ARG 49 Ca 0.43 -0.14 0.03 0.00 0.07 0.00 0.00 59.98 60.37 1ufr h ARG 49 Cb 0.57 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 1ufr h ARG 49 CO -0.34 0.61 0.54 0.82 -1.07 0.00 0.00 179.97 180.54 1ufr h ILE 50 N 0.40 1.16 -0.48 2.04 2.04 0.32 0.27 117.51 123.26 1ufr h ILE 50 Ca 0.11 -0.36 -0.12 0.00 1.00 0.00 0.00 64.86 65.48 1ufr h ILE 50 Cb 0.31 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1ufr h ILE 50 CO 0.00 0.19 -0.17 0.00 0.00 0.00 0.00 178.15 178.17 1ufr h ALA 51 N 1.51 0.67 -0.33 1.87 0.00 -0.25 -1.31 119.26 121.42 1ufr h ALA 51 Ca 0.32 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ufr h ALA 51 Cb -0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1ufr h ALA 51 CO -0.09 0.62 0.17 -0.09 0.00 0.00 0.00 179.25 179.87 1ufr h ARG 52 N 0.81 0.35 -0.64 0.00 2.43 0.28 -1.56 114.38 116.05 1ufr h ARG 52 Ca 0.11 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 1ufr h ARG 52 Cb 0.74 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 1ufr h ARG 52 CO 0.06 0.23 0.05 0.74 -1.51 0.00 0.00 179.97 179.54 1ufr h PHE 53 N 0.36 1.18 0.25 2.20 0.04 -0.82 -1.85 116.94 118.29 1ufr h PHE 53 Ca 0.13 -0.18 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1ufr h PHE 53 Cb 0.03 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 37.87 1ufr h PHE 53 CO -0.09 1.01 -0.12 0.82 -0.60 0.00 0.00 178.31 179.32 1ufr h ILE 54 N 1.01 0.75 -0.13 -0.55 2.04 -0.85 -1.86 117.51 117.92 1ufr h ILE 54 Ca 0.19 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 66.08 1ufr h ILE 54 Cb 0.50 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1ufr h ILE 54 CO 0.02 0.00 0.09 0.00 0.00 0.00 0.00 178.15 178.27 1ufr h ALA 55 N 0.41 2.12 -0.21 1.87 0.00 -1.26 0.47 119.26 122.66 1ufr h ALA 55 Ca -0.03 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1ufr h ALA 55 Cb 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ufr h ALA 55 CO 0.06 -0.15 -0.17 1.49 0.00 0.00 0.00 179.25 180.47 1ufr h GLU 56 N 0.00 0.36 0.00 0.00 4.81 -0.51 0.16 114.58 119.40 1ufr h GLU 56 Ca 0.06 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1ufr h GLU 56 Cb 0.24 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1ufr h GLU 56 CO -0.00 0.53 0.00 1.97 -0.73 0.00 0.00 179.01 180.78 1ufr n PHE 57 N -4.20 0.00 0.00 0.92 1.16 -0.76 -4.68 117.46 109.90 1ufr n PHE 57 Ca -0.00 -0.31 0.00 0.00 -1.87 0.00 0.00 57.45 55.27 1ufr n PHE 57 Cb 0.33 -0.03 0.00 0.00 -1.61 0.00 0.00 39.48 38.17 1ufr n PHE 57 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1ufr n GLU 58 N -0.31 2.72 0.00 3.97 4.07 0.16 -5.06 120.64 126.18 1ufr n GLU 58 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1ufr n GLU 58 Cb 0.20 -0.96 0.00 0.00 -0.06 0.00 0.00 31.44 30.62 1ufr n GLU 58 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ufr n GLY 59 N 2.67 1.89 3.70 8.31 0.00 0.04 -4.98 105.19 116.82 1ufr n GLY 59 Ca 0.00 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 1ufr n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ufr s LYS 60 N 0.00 1.62 -0.10 1.61 0.00 -1.26 -4.73 119.74 116.88 1ufr s LYS 60 Ca 0.00 1.63 -0.07 0.00 0.00 0.00 0.00 55.97 57.53 1ufr s LYS 60 Cb 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 37.83 36.00 1ufr s LYS 60 CO 0.00 -2.20 0.17 -2.00 0.00 0.00 0.00 175.35 171.32 1ufr s GLU 61 N -4.32 3.48 -0.18 1.78 2.12 -1.26 -3.83 118.70 116.49 1ufr s GLU 61 Ca 0.70 -0.10 -0.07 0.00 0.36 0.00 0.00 54.97 55.86 1ufr s GLU 61 Cb -0.26 -3.18 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 1ufr s GLU 61 CO 0.52 0.76 0.06 0.08 -0.54 0.00 0.00 175.26 176.14 1ufr s VAL 62 N -1.07 4.80 0.41 3.70 1.01 -1.26 -5.06 120.40 122.93 1ufr s VAL 62 Ca 0.17 -0.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.86 1ufr s VAL 62 Cb -0.12 -3.16 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 1ufr s VAL 62 CO 0.06 0.47 1.33 -2.84 0.00 0.00 0.00 175.10 174.12 1ufr s PRO 63 N 0.31 3.92 -0.21 2.72 0.02 -1.26 -4.86 135.00 135.64 1ufr s PRO 63 Ca 0.03 2.20 0.01 0.00 0.02 0.00 0.00 61.00 63.27 1ufr s PRO 63 Cb -0.12 -2.74 0.04 0.00 0.02 0.00 0.00 34.50 31.70 1ufr s PRO 63 CO 0.00 -0.55 -0.13 0.08 -0.33 0.00 0.00 177.00 176.07 1ufr s VAL 64 N -1.25 1.85 0.41 3.83 1.01 -1.26 -1.42 120.40 123.56 1ufr s VAL 64 Ca 0.58 -1.12 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1ufr s VAL 64 Cb -0.39 -1.87 -0.00 0.00 0.00 0.00 0.00 36.38 34.12 1ufr s VAL 64 CO 0.50 0.22 0.60 -0.83 0.00 0.00 0.00 175.10 175.58 1ufr s GLY 65 N 1.31 1.61 -0.03 4.51 0.00 0.17 -4.91 107.32 109.97 1ufr s GLY 65 Ca -0.01 -1.26 0.04 0.00 0.00 0.00 0.00 44.72 43.49 1ufr s GLY 65 CO -0.09 -1.11 -0.14 0.14 0.00 0.00 0.00 173.10 171.91 1ufr s VAL 66 N -2.41 1.16 -0.43 1.40 1.01 0.85 -0.82 120.40 121.15 1ufr s VAL 66 Ca 0.48 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.95 1ufr s VAL 66 Cb -0.10 -1.00 0.22 0.00 0.00 0.00 0.00 36.38 35.50 1ufr s VAL 66 CO 0.35 0.34 0.57 -0.11 0.00 0.00 0.00 175.10 176.25 1ufr n LEU 67 N 3.17 -1.03 -4.57 3.92 7.94 -0.44 -0.25 117.00 125.73 1ufr n LEU 67 Ca -0.18 -4.13 -0.29 0.00 -1.11 0.00 0.00 56.01 50.31 1ufr n LEU 67 Cb 0.54 0.67 -0.06 0.00 0.53 0.00 0.00 43.42 45.10 1ufr n LEU 67 CO 0.25 1.99 1.49 -0.62 -1.11 0.00 0.00 177.39 179.38 1ufr s ASP 68 N -0.73 5.15 -0.04 1.96 -1.08 -0.91 -4.21 116.67 116.81 1ufr s ASP 68 Ca 0.33 -1.47 0.01 0.00 -0.52 0.00 0.00 52.55 50.90 1ufr s ASP 68 Cb 0.13 -2.58 -0.03 0.00 -1.46 0.00 0.00 42.92 38.97 1ufr s ASP 68 CO -0.15 -2.91 -0.03 -0.51 0.52 0.00 0.00 175.17 172.09 1ufr s ILE 69 N 10.45 3.97 -0.02 4.11 2.07 -1.26 -1.65 121.20 138.87 1ufr s ILE 69 Ca 0.68 -0.51 -0.10 0.00 -1.41 0.00 0.00 60.65 59.31 1ufr s ILE 69 Cb -0.02 -2.69 0.01 0.00 0.13 0.00 0.00 42.46 39.89 1ufr s ILE 69 CO 0.09 0.50 0.22 -0.89 -1.91 0.00 0.00 174.94 172.96 1ufr s THR 70 N -0.94 0.06 -0.19 4.00 2.01 0.39 -2.87 115.64 118.10 1ufr s THR 70 Ca 0.15 -0.48 -0.06 0.00 0.31 0.00 0.00 61.69 61.61 1ufr s THR 70 Cb -0.11 -0.48 -0.03 0.00 0.01 0.00 0.00 72.50 71.89 1ufr s THR 70 CO 0.05 -0.26 0.02 -0.76 -0.69 0.00 0.00 174.62 172.98 1ufr s LEU 71 N -1.07 3.47 -1.23 4.42 1.43 -1.26 0.71 118.68 125.15 1ufr s LEU 71 Ca -0.11 -0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 52.83 1ufr s LEU 71 Cb -0.06 -1.87 0.20 0.00 0.03 0.00 0.00 46.19 44.49 1ufr s LEU 71 CO 0.02 0.12 1.81 -2.65 0.23 0.00 0.00 176.35 175.88 1ufr n PRO 83 N 3.86 3.89 -4.17 1.29 -0.02 -1.26 -5.17 135.00 133.43 1ufr n PRO 83 Ca -0.17 -3.78 -0.18 0.00 -2.02 0.00 0.00 63.50 57.35 1ufr n PRO 83 Cb 0.52 -2.81 -0.12 0.00 -0.02 0.00 0.00 33.50 31.07 1ufr n PRO 83 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1ufr s GLN 84 N -0.50 0.82 -0.03 -0.52 0.74 0.22 -5.15 119.66 115.24 1ufr s GLN 84 Ca 0.38 -0.97 -0.01 0.00 0.05 0.00 0.00 55.36 54.82 1ufr s GLN 84 Cb 0.09 -0.80 0.03 0.00 1.10 0.00 0.00 33.01 33.43 1ufr s GLN 84 CO 0.02 0.18 0.03 0.08 -0.55 0.00 0.00 175.29 175.05 1ufr s VAL 85 N -1.35 -0.04 0.10 1.34 1.01 -1.25 0.15 120.40 120.37 1ufr s VAL 85 Ca -0.02 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.26 1ufr s VAL 85 Cb -0.10 -0.13 -0.23 0.00 0.00 0.00 0.00 36.38 35.92 1ufr s VAL 85 CO 0.02 0.12 1.20 0.03 0.00 0.00 0.00 175.10 176.48 1ufr h ARG 86 N 7.62 0.07 -1.76 2.72 3.08 -1.72 -3.47 114.38 120.92 1ufr h ARG 86 Ca -0.36 -0.12 0.05 0.00 0.07 0.00 0.00 59.98 59.62 1ufr h ARG 86 Cb 1.12 0.04 -0.24 0.00 0.08 0.00 0.00 29.97 30.97 1ufr h ARG 86 CO 0.39 1.03 0.25 -2.00 -1.07 0.00 0.00 179.97 178.57 1ufr s GLU 87 N -2.69 0.57 -0.17 0.04 2.12 -1.26 -5.06 118.70 112.25 1ufr s GLU 87 Ca -0.01 0.87 0.01 0.00 0.36 0.00 0.00 54.97 56.20 1ufr s GLU 87 Cb 0.09 0.18 0.02 0.00 0.26 0.00 0.00 34.13 34.68 1ufr s GLU 87 CO 0.84 -0.10 -0.18 0.99 -0.54 0.00 0.00 175.26 176.27 1ufr s THR 88 N 1.07 1.89 -0.22 -1.70 2.01 -1.26 -2.14 115.64 115.30 1ufr s THR 88 Ca -0.06 -0.85 -0.03 0.00 0.31 0.00 0.00 61.69 61.06 1ufr s THR 88 Cb -0.05 -1.74 0.07 0.00 0.01 0.00 0.00 72.50 70.80 1ufr s THR 88 CO -0.13 0.49 0.07 -0.13 -0.69 0.00 0.00 174.62 174.24 1ufr s ARG 89 N 1.35 0.47 -0.51 4.92 0.52 0.66 -4.99 118.95 121.37 1ufr s ARG 89 Ca 0.05 -0.45 0.03 0.00 -0.52 0.00 0.00 55.73 54.84 1ufr s ARG 89 Cb -0.13 -1.90 0.15 0.00 0.52 0.00 0.00 34.95 33.58 1ufr s ARG 89 CO -0.12 -0.75 0.31 0.42 0.02 0.00 0.00 175.30 175.18 1ufr s ILE 90 N 1.92 1.84 -0.51 1.52 1.01 -1.26 -0.11 121.20 125.61 1ufr s ILE 90 Ca 0.02 -3.09 0.00 0.00 0.00 0.00 0.00 60.65 57.58 1ufr s ILE 90 Cb -0.17 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.04 1ufr s ILE 90 CO -0.15 -0.94 0.20 -2.65 0.00 0.00 0.00 174.94 171.41 1ufr n PRO 91 N 3.04 0.27 -3.91 2.79 -0.02 -1.26 -4.77 135.00 131.15 1ufr n PRO 91 Ca 0.13 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.52 1ufr n PRO 91 Cb 0.36 -1.25 -0.02 0.00 -0.02 0.00 0.00 33.50 32.57 1ufr n PRO 91 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1ufr s PHE 92 N -0.16 0.18 -0.27 6.00 -0.12 -1.26 -5.13 117.98 117.22 1ufr s PHE 92 Ca 0.00 -0.64 -0.20 0.00 -0.05 0.00 0.00 56.93 56.04 1ufr s PHE 92 Cb 0.00 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 42.88 1ufr s PHE 92 CO 0.00 -1.25 0.59 0.34 -0.05 0.00 0.00 175.22 174.86 1ufr s ASP 93 N -3.02 6.50 0.39 1.98 -1.08 -1.26 -4.94 116.67 115.24 1ufr s ASP 93 Ca 0.17 0.55 0.17 0.00 -0.52 0.00 0.00 52.55 52.93 1ufr s ASP 93 Cb -0.04 -2.32 0.79 0.00 -1.46 0.00 0.00 42.92 39.89 1ufr s ASP 93 CO 0.10 -0.38 1.81 -0.07 0.52 0.00 0.00 175.17 177.15 1ufr h LEU 94 N 8.96 0.00 -9.48 -1.34 3.38 -1.95 -3.43 115.31 111.45 1ufr h LEU 94 Ca -0.27 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.09 1ufr h LEU 94 Cb 1.13 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.94 1ufr h LEU 94 CO 0.76 0.36 0.64 0.41 0.09 0.00 0.00 178.44 180.70 1ufr n THR 95 N -3.77 0.36 -0.19 0.22 -1.04 -1.26 -1.95 114.28 106.65 1ufr n THR 95 Ca -0.01 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1ufr n THR 95 Cb 0.44 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 1ufr n THR 95 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ufr n GLY 96 N 2.76 1.27 3.90 3.41 0.00 0.16 -4.84 105.19 111.85 1ufr n GLY 96 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1ufr n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ufr s LYS 97 N -0.13 3.39 -0.52 1.61 1.02 -0.82 -3.69 119.74 120.60 1ufr s LYS 97 Ca 0.00 0.22 -0.17 0.00 0.02 0.00 0.00 55.97 56.03 1ufr s LYS 97 Cb 0.00 -2.31 0.09 0.00 -0.52 0.00 0.00 37.83 35.08 1ufr s LYS 97 CO 0.00 -0.37 0.55 0.00 -0.92 0.00 0.00 175.35 174.61 1ufr s ALA 98 N -2.86 3.49 -0.20 5.17 0.00 0.63 0.27 121.76 128.26 1ufr s ALA 98 Ca 0.50 -2.11 -0.11 0.00 0.00 0.00 0.00 51.96 50.24 1ufr s ALA 98 Cb -0.10 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 1ufr s ALA 98 CO 0.46 -2.01 0.15 0.42 0.00 0.00 0.00 175.76 174.78 1ufr s ILE 99 N 2.17 5.40 -0.30 0.00 -1.09 -0.32 -1.65 121.20 125.40 1ufr s ILE 99 Ca 0.09 0.24 -0.04 0.00 -2.23 0.00 0.00 60.65 58.70 1ufr s ILE 99 Cb -0.24 -3.49 0.03 0.00 -1.58 0.00 0.00 42.46 37.18 1ufr s ILE 99 CO 0.07 0.43 0.04 -0.69 -1.23 0.00 0.00 174.94 173.57 1ufr s VAL 100 N 0.39 3.46 0.04 2.92 1.01 0.35 0.20 120.40 128.78 1ufr s VAL 100 Ca 0.09 -1.08 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 1ufr s VAL 100 Cb -0.11 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 1ufr s VAL 100 CO -0.01 -0.04 1.09 -0.76 0.00 0.00 0.00 175.10 175.38 1ufr s LEU 101 N 1.37 4.38 -0.20 3.92 1.43 -0.42 -0.64 118.68 128.52 1ufr s LEU 101 Ca -0.01 1.85 -0.02 0.00 -1.03 0.00 0.00 54.13 54.92 1ufr s LEU 101 Cb -0.19 -3.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.46 1ufr s LEU 101 CO 0.00 -0.35 -0.09 -0.69 0.23 0.00 0.00 176.35 175.45 1ufr s VAL 102 N 0.91 2.97 0.04 -1.59 1.01 0.65 -0.04 120.40 124.36 1ufr s VAL 102 Ca 0.55 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.94 1ufr s VAL 102 Cb -0.25 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1ufr s VAL 102 CO 0.29 0.46 -0.14 -0.62 0.00 0.00 0.00 175.10 175.09 1ufr s ASP 103 N 1.33 1.66 -0.01 3.32 2.15 0.09 -1.40 116.67 123.80 1ufr s ASP 103 Ca 0.04 -0.48 -0.22 0.00 0.43 0.00 0.00 52.55 52.32 1ufr s ASP 103 Cb -0.14 -0.10 -0.20 0.00 -0.30 0.00 0.00 42.92 42.18 1ufr s ASP 103 CO -0.05 0.01 1.15 -2.24 -0.17 0.00 0.00 175.17 173.87 1ufr h ASP 104 N 4.82 0.36 -3.43 -0.34 2.03 -1.84 -2.46 116.42 115.57 1ufr h ASP 104 Ca -0.38 -0.68 -0.40 0.00 -0.73 0.00 0.00 57.03 54.84 1ufr h ASP 104 Cb 1.18 -0.11 -0.35 0.00 -0.83 0.00 0.00 39.33 39.23 1ufr h ASP 104 CO 0.43 0.98 -0.76 -0.69 -1.03 0.00 0.00 179.24 178.17 1ufr s VAL 105 N -3.53 0.39 -0.30 4.15 1.01 -1.26 -1.18 120.40 119.69 1ufr s VAL 105 Ca -0.15 -0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.68 1ufr s VAL 105 Cb 0.03 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 1ufr s VAL 105 CO 0.77 0.21 0.35 -0.22 0.00 0.00 0.00 175.10 176.21 1ufr s LEU 106 N 1.17 4.18 0.00 3.92 2.96 -0.08 -5.00 118.68 125.84 1ufr s LEU 106 Ca -0.07 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 1ufr s LEU 106 Cb -0.14 -2.36 0.00 0.00 0.50 0.00 0.00 46.19 44.19 1ufr s LEU 106 CO -0.02 -0.23 0.00 0.00 -1.32 0.00 0.00 176.35 174.78 1ufr n TYR 107 N 5.33 0.00 0.48 5.38 9.36 -1.26 -1.78 117.16 134.67 1ufr n TYR 107 Ca -0.09 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.25 1ufr n TYR 107 Cb 0.50 0.00 0.46 0.00 -0.63 0.00 0.00 39.34 39.68 1ufr n TYR 107 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1ufr n THR 108 N 0.00 0.74 -0.21 2.97 -2.24 -1.25 -3.74 114.28 110.54 1ufr n THR 108 Ca 0.00 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1ufr n THR 108 Cb 0.00 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 1ufr n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ufr n GLY 109 N 0.49 1.35 0.23 3.38 0.00 -1.26 -1.03 105.19 108.36 1ufr n GLY 109 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 1ufr n GLY 109 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ufr h ARG 110 N 3.25 0.43 -0.05 1.61 3.08 -1.96 0.48 114.38 121.21 1ufr h ARG 110 Ca 0.00 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1ufr h ARG 110 Cb 0.00 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1ufr h ARG 110 CO 0.00 0.65 -0.05 1.15 -1.07 0.00 0.00 179.97 180.65 1ufr h THR 111 N 0.38 1.36 -0.41 2.04 2.02 -1.98 -0.72 112.91 115.61 1ufr h THR 111 Ca 0.06 -1.17 0.05 0.00 0.77 0.00 0.00 66.41 66.12 1ufr h THR 111 Cb 0.64 2.03 -0.05 0.00 -1.74 0.00 0.00 68.15 69.03 1ufr h THR 111 CO 0.05 0.32 0.12 0.00 0.37 0.00 0.00 175.52 176.38 1ufr h ALA 112 N 0.56 0.47 -0.45 6.16 0.00 -1.93 -0.84 119.26 123.23 1ufr h ALA 112 Ca 0.01 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1ufr h ALA 112 Cb 0.54 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1ufr h ALA 112 CO 0.01 -0.27 0.23 -0.09 0.00 0.00 0.00 179.25 179.13 1ufr h ARG 113 N 0.28 0.45 -0.76 0.00 1.12 -0.80 0.98 114.38 115.65 1ufr h ARG 113 Ca 0.19 -0.03 0.01 0.00 -1.11 0.00 0.00 59.98 59.05 1ufr h ARG 113 Cb 0.19 -0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 30.01 1ufr h ARG 113 CO -0.21 0.30 0.50 0.00 -3.11 0.00 0.00 179.97 177.45 1ufr h ALA 114 N 1.23 1.48 -0.38 2.80 0.00 -0.55 0.13 119.26 123.97 1ufr h ALA 114 Ca 0.19 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1ufr h ALA 114 Cb 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1ufr h ALA 114 CO -0.12 0.47 -0.16 0.00 0.00 0.00 0.00 179.25 179.44 1ufr h ALA 115 N 1.53 0.53 -0.85 0.00 0.00 -0.30 -2.00 119.26 118.17 1ufr h ALA 115 Ca 0.28 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1ufr h ALA 115 Cb -0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1ufr h ALA 115 CO -0.07 0.46 0.47 1.25 0.00 0.00 0.00 179.25 181.36 1ufr h LEU 116 N 0.58 1.06 0.19 0.00 5.85 0.01 -0.82 115.31 122.18 1ufr h LEU 116 Ca 0.09 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1ufr h LEU 116 Cb 0.70 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1ufr h LEU 116 CO 0.05 0.86 -0.11 -0.78 -0.34 0.00 0.00 178.44 178.12 1ufr h ASP 117 N 1.19 -0.28 -0.29 1.25 3.58 -0.57 -2.48 116.42 118.82 1ufr h ASP 117 Ca 0.30 0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.81 1ufr h ASP 117 Cb 0.03 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 1ufr h ASP 117 CO -0.05 -0.18 0.06 0.00 -2.88 0.00 0.00 179.24 176.19 1ufr h ALA 118 N 0.52 0.30 -0.01 -0.78 0.00 -0.98 -2.19 119.26 116.12 1ufr h ALA 118 Ca -0.02 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1ufr h ALA 118 Cb 0.24 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1ufr h ALA 118 CO 0.02 -0.35 -0.25 -0.07 0.00 0.00 0.00 179.25 178.60 1ufr h LEU 119 N 0.17 -0.74 -2.18 0.00 3.38 -1.05 -1.90 115.31 112.98 1ufr h LEU 119 Ca 0.13 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.26 1ufr h LEU 119 Cb 0.14 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1ufr h LEU 119 CO -0.17 -0.32 0.17 0.40 0.09 0.00 0.00 178.44 178.61 1ufr h ILE 120 N -0.38 0.62 0.00 1.22 2.04 -1.18 0.48 117.51 120.30 1ufr h ILE 120 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1ufr h ILE 120 Cb 0.47 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1ufr h ILE 120 CO -0.23 0.00 0.00 0.47 0.00 0.00 0.00 178.15 178.39 1ufr n ASP 121 N -4.03 0.00 -0.00 1.72 8.00 -0.73 -3.44 116.55 118.05 1ufr n ASP 121 Ca 0.01 0.36 0.06 0.00 0.71 0.00 0.00 54.79 55.93 1ufr n ASP 121 Cb 0.30 -0.45 -0.09 0.00 -0.02 0.00 0.00 41.12 40.86 1ufr n ASP 121 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ufr n LEU 122 N -1.45 0.27 0.00 0.64 4.77 0.16 -5.09 117.00 116.30 1ufr n LEU 122 Ca 0.08 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1ufr n LEU 122 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1ufr n LEU 122 CO 0.23 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1ufr n GLY 123 N 1.55 -1.51 2.88 -0.72 0.00 -0.78 -4.75 105.19 101.85 1ufr n GLY 123 Ca -0.00 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 1ufr n GLY 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ufr s ARG 124 N -1.96 1.96 0.64 1.61 1.81 -1.26 -4.22 118.95 117.52 1ufr s ARG 124 Ca 0.00 -2.70 -0.18 0.00 -1.72 0.00 0.00 55.73 51.13 1ufr s ARG 124 Cb 0.00 -3.11 -0.01 0.00 -0.45 0.00 0.00 34.95 31.37 1ufr s ARG 124 CO 0.00 -1.18 1.27 -2.14 -0.68 0.00 0.00 175.30 172.58 1ufr s PRO 125 N -0.50 2.61 0.35 3.54 0.02 -1.23 -0.66 135.00 139.13 1ufr s PRO 125 Ca 0.20 2.01 0.04 0.00 0.02 0.00 0.00 61.00 63.27 1ufr s PRO 125 Cb -0.19 -1.86 0.64 0.00 0.02 0.00 0.00 34.50 33.11 1ufr s PRO 125 CO -0.05 -1.54 1.93 -0.09 -0.33 0.00 0.00 177.00 176.92 1ufr h ARG 126 N 0.57 0.62 -2.88 5.54 2.43 -0.26 -3.42 114.38 116.98 1ufr h ARG 126 Ca -0.51 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 58.58 1ufr h ARG 126 Cb 1.33 -0.11 -0.12 0.00 -0.42 0.00 0.00 29.97 30.65 1ufr h ARG 126 CO 0.53 0.54 0.26 0.50 -1.51 0.00 0.00 179.97 180.29 1ufr s ARG 127 N -5.23 1.25 -0.09 0.20 3.52 -1.13 -5.00 118.95 112.46 1ufr s ARG 127 Ca -0.08 -0.49 -0.03 0.00 -0.13 0.00 0.00 55.73 55.00 1ufr s ARG 127 Cb 0.16 0.56 0.04 0.00 -1.56 0.00 0.00 34.95 34.15 1ufr s ARG 127 CO 0.76 -0.55 0.05 0.42 -0.81 0.00 0.00 175.30 175.18 1ufr s ILE 128 N -3.66 0.04 0.37 4.11 1.01 -1.26 -1.17 121.20 120.65 1ufr s ILE 128 Ca 0.03 0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.89 1ufr s ILE 128 Cb -0.01 -0.40 -0.00 0.00 0.01 0.00 0.00 42.46 42.06 1ufr s ILE 128 CO -0.11 0.05 0.50 -0.31 0.00 0.00 0.00 174.94 175.08 1ufr s TYR 129 N 2.10 2.96 -0.13 3.97 1.51 0.13 -4.98 117.35 122.91 1ufr s TYR 129 Ca 0.04 -0.31 -0.00 0.00 -1.01 0.00 0.00 57.07 55.78 1ufr s TYR 129 Cb -0.13 -2.16 0.03 0.00 -0.11 0.00 0.00 41.96 39.58 1ufr s TYR 129 CO -0.05 -0.19 -0.08 -1.17 -1.11 0.00 0.00 175.55 172.95 1ufr s LEU 130 N -4.24 1.31 -0.10 -1.29 2.96 -1.26 -1.30 118.68 114.76 1ufr s LEU 130 Ca 0.49 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 54.04 1ufr s LEU 130 Cb -0.09 -0.89 -0.01 0.00 0.50 0.00 0.00 46.19 45.70 1ufr s LEU 130 CO 0.32 -0.12 -0.17 0.00 -1.32 0.00 0.00 176.35 175.05 1ufr s ALA 131 N 1.67 2.48 -0.00 5.97 0.00 0.94 -0.10 121.76 132.72 1ufr s ALA 131 Ca 0.04 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.07 1ufr s ALA 131 Cb -0.13 -1.03 -0.00 0.00 0.00 0.00 0.00 23.12 21.96 1ufr s ALA 131 CO -0.08 0.32 -0.02 0.14 0.00 0.00 0.00 175.76 176.12 1ufr s VAL 132 N 0.14 0.16 0.07 0.00 -7.23 -0.44 -0.73 120.40 112.36 1ufr s VAL 132 Ca -0.09 -0.13 -0.25 0.00 -1.81 0.00 0.00 61.98 59.71 1ufr s VAL 132 Cb -0.15 -0.15 -0.16 0.00 0.56 0.00 0.00 36.38 36.47 1ufr s VAL 132 CO 0.05 0.02 1.63 0.25 -0.31 0.00 0.00 175.10 176.74 1ufr h LEU 133 N 6.02 -0.11 -7.99 1.32 5.85 -1.11 0.66 115.31 119.96 1ufr h LEU 133 Ca -0.26 -0.08 -0.34 0.00 0.84 0.00 0.00 57.88 58.04 1ufr h LEU 133 Cb 1.20 0.03 -0.27 0.00 0.37 0.00 0.00 40.66 41.99 1ufr h LEU 133 CO 0.50 0.01 -0.76 0.68 -0.34 0.00 0.00 178.44 178.53 1ufr s VAL 134 N -5.79 0.54 -0.30 1.05 -7.23 -0.32 -0.43 120.40 107.91 1ufr s VAL 134 Ca -0.14 -0.40 -0.02 0.00 -1.81 0.00 0.00 61.98 59.61 1ufr s VAL 134 Cb 0.05 -0.48 0.05 0.00 0.56 0.00 0.00 36.38 36.56 1ufr s VAL 134 CO 0.65 0.08 -0.00 -0.62 -0.31 0.00 0.00 175.10 174.89 1ufr s ASP 135 N -0.36 4.85 -0.21 4.85 2.15 -0.86 -0.90 116.67 126.18 1ufr s ASP 135 Ca 0.01 -1.22 0.11 0.00 0.43 0.00 0.00 52.55 51.88 1ufr s ASP 135 Cb -0.04 -1.71 0.67 0.00 -0.30 0.00 0.00 42.92 41.54 1ufr s ASP 135 CO -0.00 -0.25 1.56 -2.11 -0.17 0.00 0.00 175.17 174.20 1ufr n ARG 136 N 4.64 4.05 0.00 4.34 1.85 -0.73 -1.16 116.66 129.64 1ufr n ARG 136 Ca -0.14 -2.61 0.00 0.00 -1.00 0.00 0.00 57.85 54.11 1ufr n ARG 136 Cb 0.44 -2.13 0.00 0.00 -1.05 0.00 0.00 32.46 29.72 1ufr n ARG 136 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ufr n GLY 137 N 0.39 -0.23 2.09 2.89 0.00 -1.26 -4.19 105.19 104.88 1ufr n GLY 137 Ca 0.26 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 45.25 1ufr n GLY 137 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ufr n HIS 138 N -1.05 -0.93 -1.96 1.61 -0.00 -1.26 -4.37 115.22 107.25 1ufr n HIS 138 Ca 0.00 0.36 -0.36 0.00 -0.00 0.00 0.00 57.72 57.72 1ufr n HIS 138 Cb 0.00 -2.78 0.04 0.00 -0.00 0.00 0.00 29.99 27.25 1ufr n HIS 138 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1ufr s ARG 139 N -5.02 2.90 0.00 -0.41 1.81 -1.25 -3.78 118.95 113.20 1ufr s ARG 139 Ca 0.11 1.88 0.00 0.00 -1.72 0.00 0.00 55.73 56.01 1ufr s ARG 139 Cb -0.05 -1.92 0.00 0.00 -0.45 0.00 0.00 34.95 32.53 1ufr s ARG 139 CO 0.27 -1.28 0.49 0.39 -0.68 0.00 0.00 175.30 174.48 1ufr n GLU 140 N -1.63 0.46 -3.86 3.54 1.02 -0.20 -4.97 120.64 115.00 1ufr n GLU 140 Ca 0.14 -0.61 -0.09 0.00 -0.02 0.00 0.00 57.16 56.58 1ufr n GLU 140 Cb 0.49 -0.74 -0.08 0.00 -0.02 0.00 0.00 31.44 31.09 1ufr n GLU 140 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ufr s LEU 141 N -0.24 1.44 0.00 -4.62 1.43 -1.21 -5.03 118.68 110.45 1ufr s LEU 141 Ca 0.00 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 1ufr s LEU 141 Cb 0.00 0.96 0.00 0.00 0.03 0.00 0.00 46.19 47.18 1ufr s LEU 141 CO 0.00 -0.64 1.01 -2.65 0.23 0.00 0.00 176.35 174.30 1ufr n PRO 142 N 0.32 0.69 -3.67 1.29 -0.02 -1.26 -4.83 135.00 127.52 1ufr n PRO 142 Ca -0.17 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 60.99 1ufr n PRO 142 Cb 0.61 -1.15 -0.05 0.00 -0.02 0.00 0.00 33.50 32.88 1ufr n PRO 142 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ufr s ILE 143 N 0.45 5.17 0.06 4.25 -1.09 -1.26 -5.10 121.20 123.69 1ufr s ILE 143 Ca 0.00 0.13 -0.12 0.00 -2.23 0.00 0.00 60.65 58.43 1ufr s ILE 143 Cb 0.00 -3.62 0.01 0.00 -1.58 0.00 0.00 42.46 37.27 1ufr s ILE 143 CO 0.00 0.13 0.27 -0.13 -1.23 0.00 0.00 174.94 173.99 1ufr s ARG 144 N -2.38 0.83 -0.03 2.79 1.81 -1.26 -4.98 118.95 115.73 1ufr s ARG 144 Ca 0.37 -0.65 -0.18 0.00 -1.72 0.00 0.00 55.73 53.56 1ufr s ARG 144 Cb -0.13 0.35 -0.05 0.00 -0.45 0.00 0.00 34.95 34.67 1ufr s ARG 144 CO 0.22 -0.27 0.50 0.00 -0.68 0.00 0.00 175.30 175.07 1ufr s ALA 145 N -2.99 3.56 0.12 2.13 0.00 -1.26 -4.75 121.76 118.56 1ufr s ALA 145 Ca -0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.79 1ufr s ALA 145 Cb 0.01 -2.60 -0.11 0.00 0.00 0.00 0.00 23.12 20.42 1ufr s ALA 145 CO -0.06 0.23 1.29 -0.44 0.00 0.00 0.00 175.76 176.78 1ufr h ASP 146 N 5.57 0.51 -3.61 0.00 3.32 -0.89 -3.44 116.42 117.88 1ufr h ASP 146 Ca -0.46 -0.42 -0.58 0.00 0.02 0.00 0.00 57.03 55.59 1ufr h ASP 146 Cb 1.20 -0.16 -0.32 0.00 0.22 0.00 0.00 39.33 40.27 1ufr h ASP 146 CO 0.68 1.23 -0.84 -0.36 -1.72 0.00 0.00 179.24 178.23 1ufr s PHE 147 N -3.20 1.84 -0.05 4.55 0.08 -0.70 -5.01 117.98 115.50 1ufr s PHE 147 Ca -0.05 -0.64 0.01 0.00 0.12 0.00 0.00 56.93 56.36 1ufr s PHE 147 Cb 0.09 -1.27 0.02 0.00 -0.57 0.00 0.00 43.02 41.29 1ufr s PHE 147 CO 0.87 -0.26 -0.05 0.08 -0.10 0.00 0.00 175.22 175.75 1ufr s VAL 148 N 0.32 0.61 0.00 -0.44 1.01 -1.26 -1.33 120.40 119.31 1ufr s VAL 148 Ca -0.11 -0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.47 1ufr s VAL 148 Cb -0.15 -0.63 -0.17 0.00 0.00 0.00 0.00 36.38 35.44 1ufr s VAL 148 CO 0.04 0.24 1.22 1.23 0.00 0.00 0.00 175.10 177.84 1ufr h GLY 149 N 7.22 -0.35 -5.23 4.51 0.00 0.52 -3.46 103.07 106.28 1ufr h GLY 149 Ca -0.36 0.13 -0.10 0.00 0.00 0.00 0.00 47.33 47.00 1ufr h GLY 149 CO 0.46 -0.13 -0.15 1.25 0.00 0.00 0.00 176.54 177.97 1ufr s LYS 150 N -4.55 0.56 -0.23 4.80 2.20 0.42 -4.93 119.74 118.01 1ufr s LYS 150 Ca -0.14 0.72 -0.19 0.00 -0.36 0.00 0.00 55.97 56.00 1ufr s LYS 150 Cb 0.02 0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.55 1ufr s LYS 150 CO 0.55 -0.08 0.57 -0.80 -0.36 0.00 0.00 175.35 175.23 1ufr s ASN 151 N 0.48 6.56 -0.32 1.43 0.01 -1.26 -2.04 114.94 119.80 1ufr s ASN 151 Ca -0.02 0.68 0.03 0.00 -0.71 0.00 0.00 52.86 52.84 1ufr s ASN 151 Cb -0.04 -2.31 0.09 0.00 0.41 0.00 0.00 41.25 39.39 1ufr s ASN 151 CO -0.02 -0.27 0.02 -0.69 -1.51 0.00 0.00 177.10 174.62 1ufr s VAL 152 N 2.07 2.40 0.05 1.60 1.01 -0.31 -4.96 120.40 122.26 1ufr s VAL 152 Ca 0.25 -2.05 -0.30 0.00 0.00 0.00 0.00 61.98 59.88 1ufr s VAL 152 Cb -0.16 -2.63 -0.08 0.00 0.00 0.00 0.00 36.38 33.52 1ufr s VAL 152 CO 0.09 -0.41 1.65 -2.84 0.00 0.00 0.00 175.10 173.59 1ufr s PRO 153 N 1.01 4.20 0.36 2.72 0.02 -1.26 -4.22 135.00 137.82 1ufr s PRO 153 Ca 0.04 2.30 0.04 0.00 0.02 0.00 0.00 61.00 63.39 1ufr s PRO 153 Cb -0.20 -3.68 -0.05 0.00 0.02 0.00 0.00 34.50 30.59 1ufr s PRO 153 CO -0.06 -0.75 0.08 0.95 -0.33 0.00 0.00 177.00 176.89 1ufr s THR 154 N 2.91 0.97 0.22 0.99 -4.23 -1.26 -5.09 115.64 110.16 1ufr s THR 154 Ca 0.74 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.32 1ufr s THR 154 Cb -0.38 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.80 1ufr s THR 154 CO 0.32 0.00 0.10 -0.94 -0.54 0.00 0.00 174.62 173.56 1ufr s SER 155 N -3.53 5.17 0.31 3.99 1.04 -1.26 -5.00 113.70 114.41 1ufr s SER 155 Ca 0.31 -0.34 0.07 0.00 0.48 0.00 0.00 55.95 56.48 1ufr s SER 155 Cb 0.06 -1.22 0.79 0.00 0.10 0.00 0.00 66.02 65.76 1ufr s SER 155 CO 0.15 0.02 1.76 0.03 0.98 0.00 0.00 173.24 176.17 1ufr h ARG 156 N 1.99 0.68 0.00 4.02 3.08 -2.01 -1.87 114.38 120.26 1ufr h ARG 156 Ca -0.47 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.45 1ufr h ARG 156 Cb 1.23 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 1ufr h ARG 156 CO 0.61 0.45 -0.42 0.66 -1.07 0.00 0.00 179.97 180.20 1ufr h SER 157 N 0.70 0.00 -3.94 7.04 4.64 -1.95 -3.46 113.55 116.58 1ufr h SER 157 Ca 0.60 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 61.44 1ufr h SER 157 Cb 1.02 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 63.27 1ufr h SER 157 CO -0.41 0.42 0.20 -1.61 -0.87 0.00 0.00 176.83 174.55 1ufr s GLU 158 N -3.21 0.77 -0.03 4.77 2.02 -0.71 -3.61 118.70 118.70 1ufr s GLU 158 Ca 0.03 0.91 -0.03 0.00 0.02 0.00 0.00 54.97 55.90 1ufr s GLU 158 Cb 0.09 -1.74 0.01 0.00 0.10 0.00 0.00 34.13 32.58 1ufr s GLU 158 CO 0.71 -2.60 0.09 0.08 0.02 0.00 0.00 175.26 173.55 1ufr s VAL 159 N -2.80 -0.00 -0.19 2.63 1.01 -0.12 -4.87 120.40 116.05 1ufr s VAL 159 Ca 0.65 0.01 -0.06 0.00 0.00 0.00 0.00 61.98 62.58 1ufr s VAL 159 Cb -0.20 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 1ufr s VAL 159 CO 0.59 0.01 0.03 -0.69 0.00 0.00 0.00 175.10 175.04 1ufr s VAL 160 N 0.11 4.41 -0.20 2.92 1.01 -1.26 -0.28 120.40 127.12 1ufr s VAL 160 Ca -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 1ufr s VAL 160 Cb -0.01 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 1ufr s VAL 160 CO -0.00 0.44 -0.08 -0.54 0.00 0.00 0.00 175.10 174.92 1ufr s LYS 161 N 0.65 3.34 -0.22 2.72 1.02 0.31 -4.99 119.74 122.57 1ufr s LYS 161 Ca 0.02 -0.66 -0.07 0.00 0.02 0.00 0.00 55.97 55.27 1ufr s LYS 161 Cb -0.14 -2.87 -0.03 0.00 -0.52 0.00 0.00 37.83 34.26 1ufr s LYS 161 CO 0.02 -0.11 0.07 0.08 -0.92 0.00 0.00 175.35 174.49 1ufr s VAL 162 N 1.20 4.54 -0.09 3.17 1.01 -1.26 -0.32 120.40 128.66 1ufr s VAL 162 Ca 0.02 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1ufr s VAL 162 Cb -0.14 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 1ufr s VAL 162 CO -0.03 0.39 -0.14 -0.54 0.00 0.00 0.00 175.10 174.78 1ufr s LYS 163 N 1.06 2.92 0.00 2.72 1.02 0.22 -4.99 119.74 122.70 1ufr s LYS 163 Ca 0.04 -0.70 0.02 0.00 0.02 0.00 0.00 55.97 55.35 1ufr s LYS 163 Cb -0.14 -2.49 -0.01 0.00 -0.52 0.00 0.00 37.83 34.67 1ufr s LYS 163 CO 0.03 0.42 -0.06 0.14 -0.92 0.00 0.00 175.35 174.96 1ufr s VAL 164 N -0.20 0.47 0.12 3.17 -7.23 -0.45 -0.30 120.40 115.99 1ufr s VAL 164 Ca 0.00 -0.33 -0.23 0.00 -1.81 0.00 0.00 61.98 59.61 1ufr s VAL 164 Cb -0.13 -0.42 -0.05 0.00 0.56 0.00 0.00 36.38 36.34 1ufr s VAL 164 CO 0.03 0.08 1.26 -0.62 -0.31 0.00 0.00 175.10 175.54 1ufr n GLU 165 N 2.79 -0.33 0.13 4.82 -0.58 -1.16 1.00 120.64 127.31 1ufr n GLU 165 Ca -0.14 1.23 0.19 0.00 -0.42 0.00 0.00 57.16 58.03 1ufr n GLU 165 Cb 0.58 -1.82 0.70 0.00 -0.57 0.00 0.00 31.44 30.33 1ufr n GLU 165 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1ufr h GLU 166 N 0.00 0.00 0.00 3.49 3.07 -1.94 0.11 114.58 119.31 1ufr h GLU 166 Ca 0.12 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 1ufr h GLU 166 Cb 0.31 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1ufr h GLU 166 CO -0.70 0.00 -1.05 0.28 -1.40 0.00 0.00 179.01 176.14 1ufr n VAL 167 N -3.42 0.05 0.54 3.13 0.31 0.04 -4.83 118.33 114.15 1ufr n VAL 167 Ca 0.06 -0.02 0.06 0.00 -0.01 0.00 0.00 64.34 64.44 1ufr n VAL 167 Cb 0.67 -0.57 0.03 0.00 -0.91 0.00 0.00 33.84 33.06 1ufr n VAL 167 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1ufr n ASP 168 N -2.48 1.82 0.00 4.52 8.00 0.28 -4.97 116.55 123.72 1ufr n ASP 168 Ca -0.01 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 54.07 1ufr n ASP 168 Cb 0.52 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 1ufr n ASP 168 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ufr n GLY 169 N 0.82 0.68 3.53 0.44 0.00 0.02 -4.90 105.19 105.78 1ufr n GLY 169 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 1ufr n GLY 169 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ufr s GLU 170 N -0.23 0.77 -0.47 1.61 2.12 -1.26 -4.75 118.70 116.50 1ufr s GLU 170 Ca 0.00 0.79 -0.20 0.00 0.36 0.00 0.00 54.97 55.92 1ufr s GLU 170 Cb 0.00 0.37 0.04 0.00 0.26 0.00 0.00 34.13 34.80 1ufr s GLU 170 CO 0.00 -0.12 0.61 -0.51 -0.54 0.00 0.00 175.26 174.70 1ufr s ASP 171 N 0.13 6.26 -0.03 -1.70 1.01 -1.26 -1.34 116.67 119.75 1ufr s ASP 171 Ca -0.01 -0.63 -0.30 0.00 0.71 0.00 0.00 52.55 52.32 1ufr s ASP 171 Cb -0.04 -2.29 0.08 0.00 1.01 0.00 0.00 42.92 41.67 1ufr s ASP 171 CO 0.02 -0.80 0.71 -0.60 0.21 0.00 0.00 175.17 174.70 1ufr s ARG 172 N 2.65 1.04 -0.18 8.23 3.52 0.59 -2.81 118.95 131.99 1ufr s ARG 172 Ca 0.18 0.13 0.01 0.00 -0.13 0.00 0.00 55.73 55.92 1ufr s ARG 172 Cb -0.17 0.49 0.03 0.00 -1.56 0.00 0.00 34.95 33.74 1ufr s ARG 172 CO 0.15 -0.35 -0.17 0.08 -0.81 0.00 0.00 175.30 174.21 1ufr s VAL 173 N -1.58 1.87 0.02 7.11 1.01 -1.26 0.72 120.40 128.28 1ufr s VAL 173 Ca -0.08 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.06 1ufr s VAL 173 Cb -0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1ufr s VAL 173 CO 0.05 0.44 -0.14 -1.61 0.00 0.00 0.00 175.10 173.84 1ufr s GLU 174 N 1.35 2.27 -0.21 2.72 2.02 0.57 0.33 118.70 127.75 1ufr s GLU 174 Ca 0.03 -0.87 -0.06 0.00 0.02 0.00 0.00 54.97 54.09 1ufr s GLU 174 Cb -0.14 -2.30 -0.03 0.00 0.10 0.00 0.00 34.13 31.76 1ufr s GLU 174 CO -0.11 0.57 0.04 -1.17 0.02 0.00 0.00 175.26 174.61 1ufr s LEU 175 N -1.32 3.50 0.42 1.80 2.96 0.57 -0.53 118.68 126.07 1ufr s LEU 175 Ca 0.15 -0.11 0.06 0.00 -0.22 0.00 0.00 54.13 54.01 1ufr s LEU 175 Cb -0.11 -1.90 -0.07 0.00 0.50 0.00 0.00 46.19 44.61 1ufr s LEU 175 CO 0.05 0.07 0.01 0.26 -1.32 0.00 0.00 176.35 175.43 1ufr s TRP 176 N 0.97 2.38 -0.02 5.38 0.52 0.62 -0.76 118.94 128.04 1ufr s TRP 176 Ca 0.03 -0.74 -0.27 0.00 0.02 0.00 0.00 56.10 55.14 1ufr s TRP 176 Cb -0.14 -1.71 0.06 0.00 -1.15 0.00 0.00 33.47 30.53 1ufr s TRP 176 CO 0.02 0.38 0.60 -2.00 0.02 0.00 0.00 176.95 175.98 1ufr s GLU 177 N -3.75 1.02 0.00 4.98 2.12 -0.63 -0.94 118.70 121.51 1ufr s GLU 177 Ca 0.31 0.07 0.06 0.00 0.36 0.00 0.00 54.97 55.77 1ufr s GLU 177 Cb 0.09 0.48 0.04 0.00 0.26 0.00 0.00 34.13 35.00 1ufr s GLU 177 CO 0.16 -0.33 0.68 -2.13 -0.54 0.00 0.00 175.26 173.09