#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufn s SER 2 N 0.00 1.28 -0.42 1.61 0.01 -1.26 -5.13 113.70 109.79 1ufn s SER 2 Ca 0.00 -1.64 -0.09 0.00 1.31 0.00 0.00 55.95 55.54 1ufn s SER 2 Cb 0.00 0.49 0.09 0.00 0.21 0.00 0.00 66.02 66.81 1ufn s SER 2 CO 0.00 -0.98 0.26 -0.44 0.41 0.00 0.00 173.24 172.49 1ufn s SER 3 N -3.32 5.60 0.00 2.44 0.01 -1.26 -4.70 113.70 112.48 1ufn s SER 3 Ca 0.39 -1.59 0.00 0.00 1.31 0.00 0.00 55.95 56.06 1ufn s SER 3 Cb 0.04 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.30 1ufn s SER 3 CO 0.22 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 173.93 1ufn n GLY 4 N 4.89 -0.16 0.24 3.44 0.00 -1.26 -4.96 105.19 107.38 1ufn n GLY 4 Ca -0.09 -0.28 0.02 0.00 0.00 0.00 0.00 46.02 45.66 1ufn n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ufn h SER 5 N 0.00 0.13 -3.93 1.61 0.02 -2.04 -3.41 113.55 105.94 1ufn h SER 5 Ca 0.00 0.10 -0.50 0.00 -0.84 0.00 0.00 61.79 60.55 1ufn h SER 5 Cb 0.67 0.11 0.04 0.00 0.14 0.00 0.00 62.40 63.37 1ufn h SER 5 CO 0.00 0.06 0.49 -0.44 -1.14 0.00 0.00 176.83 175.80 1ufn s SER 6 N -5.33 6.65 0.00 3.07 0.01 -1.26 -4.84 113.70 112.00 1ufn s SER 6 Ca -0.13 2.29 0.00 0.00 1.31 0.00 0.00 55.95 59.42 1ufn s SER 6 Cb 0.18 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1ufn s SER 6 CO 0.75 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 174.42 1ufn n GLY 7 N 0.64 -1.67 0.45 3.44 0.00 -1.26 -4.94 105.19 101.85 1ufn n GLY 7 Ca 0.04 0.80 0.01 0.00 0.00 0.00 0.00 46.02 46.86 1ufn n GLY 7 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ufn n ASN 8 N 0.00 1.06 -4.14 1.61 2.85 -1.26 -4.72 115.26 110.66 1ufn n ASN 8 Ca 0.00 -2.06 -0.33 0.00 -0.11 0.00 0.00 54.58 52.09 1ufn n ASN 8 Cb 0.00 -0.34 -0.16 0.00 1.24 0.00 0.00 39.78 40.52 1ufn n ASN 8 CO 0.00 0.00 0.00 1.51 -2.11 0.00 0.00 177.26 176.66 1ufn s ASP 9 N -0.42 3.09 -0.20 1.20 1.47 -1.26 -5.11 116.67 115.43 1ufn s ASP 9 Ca 0.05 -0.62 -0.08 0.00 1.18 0.00 0.00 52.55 53.09 1ufn s ASP 9 Cb 0.03 -1.44 -0.04 0.00 -0.34 0.00 0.00 42.92 41.13 1ufn s ASP 9 CO 0.02 0.04 0.07 0.00 0.68 0.00 0.00 175.17 175.99 1ufn s ALA 10 N 1.02 3.35 0.27 2.11 0.00 -1.26 -4.97 121.76 122.28 1ufn s ALA 10 Ca -0.02 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.07 1ufn s ALA 10 Cb -0.14 -1.99 0.49 0.00 0.00 0.00 0.00 23.12 21.48 1ufn s ALA 10 CO -0.07 -0.02 1.84 -0.24 0.00 0.00 0.00 175.76 177.27 1ufn h VAL 11 N 5.06 0.94 -0.83 0.00 3.04 -1.99 -0.59 116.25 121.88 1ufn h VAL 11 Ca -0.37 -0.33 0.24 0.00 -1.01 0.00 0.00 66.70 65.23 1ufn h VAL 11 Cb 1.17 -0.11 -0.03 0.00 -2.01 0.00 0.00 31.29 30.31 1ufn h VAL 11 CO 0.66 0.18 0.95 0.44 -1.01 0.00 0.00 177.57 178.79 1ufn h ASP 12 N 0.97 0.00 -6.37 3.17 3.32 -2.00 -3.44 116.42 112.07 1ufn h ASP 12 Ca 0.46 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 57.02 1ufn h ASP 12 Cb 0.41 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.90 1ufn h ASP 12 CO -0.25 0.00 -0.78 0.49 -1.72 0.00 0.00 179.24 176.98 1ufn n PHE 13 N -3.41 -2.16 -0.02 4.55 3.72 -0.23 -4.91 117.46 115.00 1ufn n PHE 13 Ca 0.18 0.88 -0.00 0.00 -0.05 0.00 0.00 57.45 58.46 1ufn n PHE 13 Cb 1.21 -3.82 -0.00 0.00 -0.94 0.00 0.00 39.48 35.93 1ufn n PHE 13 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1ufn h SER 14 N -1.97 0.00 0.00 4.37 0.02 -1.85 -3.35 113.55 110.77 1ufn h SER 14 Ca -0.59 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1ufn h SER 14 Cb 1.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.92 1ufn h SER 14 CO 0.68 0.16 0.00 -0.81 -1.14 0.00 0.00 176.83 175.73 1ufn n PRO 15 N -2.88 0.49 -4.09 3.45 -0.04 -1.26 -4.65 135.00 126.03 1ufn n PRO 15 Ca -0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1ufn n PRO 15 Cb 0.01 -1.38 -0.14 0.00 -0.04 0.00 0.00 33.50 31.94 1ufn n PRO 15 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ufn s THR 16 N -2.00 0.32 -0.01 0.52 -4.23 -1.26 -1.43 115.64 107.55 1ufn s THR 16 Ca 0.18 -0.21 0.03 0.00 -1.18 0.00 0.00 61.69 60.51 1ufn s THR 16 Cb 0.08 -0.28 -0.01 0.00 1.34 0.00 0.00 72.50 73.64 1ufn s THR 16 CO 0.14 0.07 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.45 1ufn s LEU 17 N -0.15 1.98 -0.19 4.79 1.43 0.33 -4.69 118.68 122.18 1ufn s LEU 17 Ca 0.01 -0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 52.67 1ufn s LEU 17 Cb -0.02 -0.43 -0.03 0.00 0.03 0.00 0.00 46.19 45.74 1ufn s LEU 17 CO -0.00 0.10 1.59 -2.16 0.23 0.00 0.00 176.35 176.11 1ufn s PRO 18 N -0.14 3.89 0.11 1.29 0.04 -1.26 -0.32 135.00 138.60 1ufn s PRO 18 Ca 0.02 1.74 0.09 0.00 0.04 0.00 0.00 61.00 62.90 1ufn s PRO 18 Cb -0.04 -4.01 -0.04 0.00 0.04 0.00 0.00 34.50 30.46 1ufn s PRO 18 CO -0.00 -1.18 -0.21 0.14 0.04 0.00 0.00 177.00 175.79 1ufn s VAL 19 N 4.89 2.66 -0.12 -0.36 -7.23 -0.96 -4.03 120.40 115.24 1ufn s VAL 19 Ca 0.70 -1.53 -0.06 0.00 -1.81 0.00 0.00 61.98 59.28 1ufn s VAL 19 Cb -0.26 -2.19 0.05 0.00 0.56 0.00 0.00 36.38 34.54 1ufn s VAL 19 CO 0.28 0.13 0.28 0.42 -0.31 0.00 0.00 175.10 175.91 1ufn s THR 20 N -1.08 -0.05 -0.29 5.32 -4.23 -0.16 -1.06 115.64 114.09 1ufn s THR 20 Ca 0.16 0.14 0.01 0.00 -1.18 0.00 0.00 61.69 60.82 1ufn s THR 20 Cb -0.10 -0.43 0.08 0.00 1.34 0.00 0.00 72.50 73.39 1ufn s THR 20 CO 0.08 0.06 0.02 0.00 -0.54 0.00 0.00 174.62 174.24 1ufn n GLY 22 N 4.62 1.84 1.69 0.00 0.00 -1.26 -0.81 105.19 111.27 1ufn n GLY 22 Ca -0.04 0.31 0.09 0.00 0.00 0.00 0.00 46.02 46.38 1ufn n GLY 22 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ufn n LYS 23 N 2.41 4.12 -4.26 1.61 2.85 -1.25 -4.94 118.16 118.71 1ufn n LYS 23 Ca 0.00 -2.99 -0.27 0.00 -1.05 0.00 0.00 58.31 54.00 1ufn n LYS 23 Cb 0.00 -2.02 -0.09 0.00 -0.65 0.00 0.00 35.03 32.27 1ufn n LYS 23 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ufn s ALA 24 N -2.16 3.04 -0.04 0.58 0.00 0.01 -4.91 121.76 118.28 1ufn s ALA 24 Ca 0.53 -1.42 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 1ufn s ALA 24 Cb 0.36 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.66 1ufn s ALA 24 CO 0.22 0.48 0.10 0.15 0.00 0.00 0.00 175.76 176.71 1ufn s LYS 25 N -2.82 0.09 0.00 0.00 1.02 -1.26 -1.79 119.74 114.97 1ufn s LYS 25 Ca 0.26 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.45 1ufn s LYS 25 Cb -0.09 -0.05 0.00 0.00 -0.52 0.00 0.00 37.83 37.17 1ufn s LYS 25 CO 0.16 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.93 1ufn n GLY 26 N 3.48 3.40 3.40 -3.33 0.00 -0.22 -3.56 105.19 108.36 1ufn n GLY 26 Ca -0.18 -0.59 -0.08 0.00 0.00 0.00 0.00 46.02 45.17 1ufn n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ufn s THR 27 N -1.47 -0.25 0.03 2.61 2.01 0.30 -2.26 115.64 116.62 1ufn s THR 27 Ca 0.00 0.08 -0.23 0.00 0.31 0.00 0.00 61.69 61.84 1ufn s THR 27 Cb 0.00 -0.76 -0.06 0.00 0.01 0.00 0.00 72.50 71.70 1ufn s THR 27 CO 0.00 0.03 0.71 -0.22 -0.69 0.00 0.00 174.62 174.45 1ufn s LEU 28 N 1.87 4.44 -0.40 4.42 2.96 0.56 -1.18 118.68 131.36 1ufn s LEU 28 Ca -0.08 1.36 -0.04 0.00 -0.22 0.00 0.00 54.13 55.15 1ufn s LEU 28 Cb -0.09 -3.13 0.10 0.00 0.50 0.00 0.00 46.19 43.57 1ufn s LEU 28 CO -0.15 0.05 0.19 -0.36 -1.32 0.00 0.00 176.35 174.76 1ufn s PHE 29 N -0.15 3.50 0.32 5.38 0.40 -1.16 -0.51 117.98 125.76 1ufn s PHE 29 Ca 0.36 -2.20 0.07 0.00 -0.60 0.00 0.00 56.93 54.56 1ufn s PHE 29 Cb -0.20 -3.05 0.89 0.00 0.51 0.00 0.00 43.02 41.18 1ufn s PHE 29 CO 0.21 -0.93 1.61 1.96 0.70 0.00 0.00 175.22 178.77 1ufn h GLN 30 N 8.11 0.12 -0.94 0.44 4.20 -1.59 0.92 115.11 126.38 1ufn h GLN 30 Ca -0.16 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.61 1ufn h GLN 30 Cb 1.06 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.74 1ufn h GLN 30 CO 0.69 0.08 0.60 1.05 -0.67 0.00 0.00 178.83 180.58 1ufn h GLU 31 N 0.13 1.04 -0.00 1.46 4.11 -1.94 0.38 114.58 119.75 1ufn h GLU 31 Ca 0.65 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 60.01 1ufn h GLU 31 Cb 1.44 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1ufn h GLU 31 CO -0.75 0.68 -0.32 1.63 0.07 0.00 0.00 179.01 180.33 1ufn n LYS 32 N -4.57 0.07 -0.01 1.06 5.02 0.28 -3.84 118.16 116.17 1ufn n LYS 32 Ca 0.14 -0.03 -0.18 0.00 -2.02 0.00 0.00 58.31 56.23 1ufn n LYS 32 Cb 0.20 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.57 1ufn n LYS 32 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ufn n LEU 33 N -1.44 2.13 -0.28 -0.35 7.94 0.12 -4.26 117.00 120.87 1ufn n LEU 33 Ca 0.07 0.25 0.04 0.00 -1.11 0.00 0.00 56.01 55.26 1ufn n LEU 33 Cb 0.33 -0.74 0.13 0.00 0.53 0.00 0.00 43.42 43.67 1ufn n LEU 33 CO 0.32 0.73 0.74 0.11 -1.11 0.00 0.00 177.39 178.17 1ufn h LYS 34 N 0.05 0.02 -0.01 1.96 1.57 -0.45 -1.07 116.57 118.64 1ufn h LYS 34 Ca -0.39 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.41 1ufn h LYS 34 Cb 2.03 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 34.28 1ufn h LYS 34 CO 0.08 0.02 -0.54 1.96 -0.57 0.00 0.00 179.45 180.40 1ufn h GLN 35 N 0.02 -0.64 -1.21 3.15 4.20 -1.76 -3.43 115.11 115.44 1ufn h GLN 35 Ca 0.41 0.04 0.32 0.00 0.06 0.00 0.00 58.65 59.48 1ufn h GLN 35 Cb 0.67 0.15 -0.18 0.00 0.30 0.00 0.00 27.48 28.42 1ufn h GLN 35 CO -0.80 -0.43 0.92 0.20 -0.67 0.00 0.00 178.83 178.05 1ufn s GLY 36 N -2.26 -0.30 0.00 3.46 0.00 -0.40 -4.99 107.32 102.83 1ufn s GLY 36 Ca -0.16 1.54 0.00 0.00 0.00 0.00 0.00 44.72 46.10 1ufn s GLY 36 CO 0.61 0.48 0.84 0.00 0.00 0.00 0.00 173.10 175.03 1ufn n ALA 37 N -0.16 2.47 -0.05 3.20 0.00 -1.26 -3.03 120.51 121.68 1ufn n ALA 37 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1ufn n ALA 37 Cb 0.59 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.94 1ufn n ALA 37 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ufn n SER 38 N -0.35 1.99 -4.75 0.00 3.41 -1.26 -3.50 113.62 109.16 1ufn n SER 38 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1ufn n SER 38 Cb 0.07 0.97 -0.03 0.00 -0.26 0.00 0.00 64.21 64.95 1ufn n SER 38 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1ufn s LYS 39 N -2.42 4.51 -0.46 4.33 -0.14 -1.17 -4.63 119.74 119.77 1ufn s LYS 39 Ca -0.06 1.91 -0.28 0.00 -1.36 0.00 0.00 55.97 56.18 1ufn s LYS 39 Cb 0.05 -3.20 -0.09 0.00 -1.68 0.00 0.00 37.83 32.91 1ufn s LYS 39 CO 0.51 -0.02 2.37 1.63 -0.76 0.00 0.00 175.35 179.09 1ufn n LYS 40 N 1.91 1.16 -0.01 1.68 4.76 -1.26 -4.43 118.16 121.97 1ufn n LYS 40 Ca 0.02 0.16 -0.00 0.00 -2.87 0.00 0.00 58.31 55.61 1ufn n LYS 40 Cb 0.44 -3.10 -0.02 0.00 -1.84 0.00 0.00 35.03 30.52 1ufn n LYS 40 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ufn s ILE 42 N -2.08 4.43 -0.26 0.00 1.01 -0.66 -2.99 121.20 120.65 1ufn s ILE 42 Ca -0.01 1.11 -0.10 0.00 0.00 0.00 0.00 60.65 61.65 1ufn s ILE 42 Cb 0.01 -4.45 -0.05 0.00 0.01 0.00 0.00 42.46 37.98 1ufn s ILE 42 CO 0.09 -0.76 0.16 -1.58 0.00 0.00 0.00 174.94 172.85 1ufn s GLN 43 N 3.86 3.95 0.93 2.79 0.74 -0.32 0.17 119.66 131.77 1ufn s GLN 43 Ca 0.41 -0.33 -0.13 0.00 0.05 0.00 0.00 55.36 55.37 1ufn s GLN 43 Cb -0.10 -3.57 0.20 0.00 1.10 0.00 0.00 33.01 30.64 1ufn s GLN 43 CO 0.25 -0.10 1.27 0.54 -0.55 0.00 0.00 175.29 176.69 1ufn s ASN 44 N 1.49 3.21 0.42 6.67 2.20 -1.07 -0.53 114.94 127.33 1ufn s ASN 44 Ca 0.07 0.01 0.15 0.00 -0.94 0.00 0.00 52.86 52.15 1ufn s ASN 44 Cb -0.15 -0.06 1.02 0.00 -2.00 0.00 0.00 41.25 40.07 1ufn s ASN 44 CO 0.08 -2.65 1.93 -0.33 -2.94 0.00 0.00 177.10 173.19 1ufn h GLU 45 N -1.45 0.43 0.00 3.55 4.39 -1.91 0.50 114.58 120.09 1ufn h GLU 45 Ca -0.42 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1ufn h GLU 45 Cb 1.23 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1ufn h GLU 45 CO 0.34 0.28 0.00 0.00 -1.16 0.00 0.00 179.01 178.48 1ufn n ALA 46 N -2.51 2.35 0.00 3.43 0.00 -1.26 -4.84 120.51 117.68 1ufn n ALA 46 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ufn n ALA 46 Cb 0.48 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1ufn n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ufn n GLY 47 N 0.43 2.55 3.65 0.00 0.00 0.18 -4.95 105.19 107.04 1ufn n GLY 47 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1ufn n GLY 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ufn s ASP 48 N -2.58 6.51 0.60 1.61 1.01 -1.26 -4.60 116.67 117.97 1ufn s ASP 48 Ca 0.00 2.07 -0.18 0.00 0.71 0.00 0.00 52.55 55.15 1ufn s ASP 48 Cb 0.00 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 1ufn s ASP 48 CO 0.00 -1.08 1.15 0.26 0.21 0.00 0.00 175.17 175.72 1ufn s TRP 49 N 4.61 2.52 -0.04 4.23 0.52 -1.26 -2.61 118.94 126.90 1ufn s TRP 49 Ca 0.75 1.54 -0.04 0.00 0.02 0.00 0.00 56.10 58.38 1ufn s TRP 49 Cb -0.31 -3.34 0.01 0.00 -1.15 0.00 0.00 33.47 28.68 1ufn s TRP 49 CO 0.30 -1.89 0.10 -0.51 0.02 0.00 0.00 176.95 174.98 1ufn s LEU 50 N -4.25 1.61 0.45 2.99 1.43 0.44 -4.94 118.68 116.41 1ufn s LEU 50 Ca 0.73 0.18 -0.24 0.00 -1.03 0.00 0.00 54.13 53.78 1ufn s LEU 50 Cb -0.25 0.36 -0.07 0.00 0.03 0.00 0.00 46.19 46.26 1ufn s LEU 50 CO 0.34 -0.05 1.23 0.42 0.23 0.00 0.00 176.35 178.51 1ufn s THR 51 N -0.02 2.84 0.53 5.49 -4.23 -1.26 -1.65 115.64 117.34 1ufn s THR 51 Ca -0.01 0.66 0.30 0.00 -1.18 0.00 0.00 61.69 61.47 1ufn s THR 51 Cb -0.01 -3.35 0.45 0.00 1.34 0.00 0.00 72.50 70.92 1ufn s THR 51 CO 0.00 0.03 1.24 0.52 -0.54 0.00 0.00 174.62 175.87 1ufn n VAL 52 N -0.37 0.00 -0.09 2.29 0.31 -1.23 0.77 118.33 120.02 1ufn n VAL 52 Ca 0.07 1.20 -0.16 0.00 -0.01 0.00 0.00 64.34 65.43 1ufn n VAL 52 Cb 0.46 -2.10 -0.10 0.00 -0.91 0.00 0.00 33.84 31.19 1ufn n VAL 52 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1ufn h LYS 53 N 0.00 0.00 -0.21 5.55 1.57 -1.88 -3.37 116.57 118.23 1ufn h LYS 53 Ca 0.57 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.38 1ufn h LYS 53 Cb 2.89 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 35.13 1ufn h LYS 53 CO -0.01 0.81 -0.50 0.93 -0.57 0.00 0.00 179.45 180.11 1ufn h GLU 54 N -1.00 -0.46 -0.89 3.15 3.07 0.03 -0.20 114.58 118.29 1ufn h GLU 54 Ca -0.20 0.03 0.31 0.00 -0.50 0.00 0.00 59.36 59.00 1ufn h GLU 54 Cb 1.05 0.10 -0.16 0.00 -0.84 0.00 0.00 28.75 28.90 1ufn h GLU 54 CO -0.12 -0.30 0.24 0.34 -1.40 0.00 0.00 179.01 177.76 1ufn n PHE 55 N -5.16 0.79 0.09 4.33 7.35 -0.77 0.73 117.46 124.82 1ufn n PHE 55 Ca -0.05 1.06 -0.13 0.00 -0.76 0.00 0.00 57.45 57.57 1ufn n PHE 55 Cb 0.33 -1.30 -0.08 0.00 0.35 0.00 0.00 39.48 38.78 1ufn n PHE 55 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1ufn h LEU 56 N 0.00 -0.17 -0.97 -2.13 3.38 -1.21 -2.80 115.31 111.41 1ufn h LEU 56 Ca 0.64 -0.16 0.24 0.00 0.09 0.00 0.00 57.88 58.69 1ufn h LEU 56 Cb 1.53 0.04 -0.13 0.00 0.09 0.00 0.00 40.66 42.20 1ufn h LEU 56 CO -0.76 0.06 0.54 0.78 0.09 0.00 0.00 178.44 179.14 1ufn h ASN 57 N -0.40 0.57 -0.16 -0.43 -0.26 0.89 0.54 115.58 116.33 1ufn h ASN 57 Ca -0.02 0.14 -0.06 0.00 -0.56 0.00 0.00 56.30 55.80 1ufn h ASN 57 Cb 0.32 0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.63 1ufn h ASN 57 CO 0.03 0.06 -0.08 -0.33 -1.06 0.00 0.00 177.43 176.06 1ufn h GLU 58 N 0.52 0.49 -0.01 0.81 4.39 -1.17 -2.77 114.58 116.84 1ufn h GLU 58 Ca 0.62 -0.13 -0.18 0.00 0.34 0.00 0.00 59.36 60.02 1ufn h GLU 58 Cb 1.19 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 1ufn h GLU 58 CO -0.50 0.58 -0.81 0.78 -1.16 0.00 0.00 179.01 177.90 1ufn h GLY 59 N 0.88 0.19 0.00 -3.84 0.00 0.26 -3.43 103.07 97.13 1ufn h GLY 59 Ca 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1ufn h GLY 59 CO 0.02 0.27 0.00 0.61 0.00 0.00 0.00 176.54 177.45 1ufn n GLY 60 N 0.74 0.14 2.78 4.60 0.00 -0.22 -3.89 105.19 109.34 1ufn n GLY 60 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1ufn n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ufn s ARG 61 N 0.00 0.88 -0.17 1.61 0.52 -0.83 -4.95 118.95 116.00 1ufn s ARG 61 Ca 0.00 -1.09 0.04 0.00 -0.52 0.00 0.00 55.73 54.17 1ufn s ARG 61 Cb 0.00 -2.19 -0.13 0.00 0.52 0.00 0.00 34.95 33.14 1ufn s ARG 61 CO 0.00 -0.91 -0.11 0.00 0.02 0.00 0.00 175.30 174.30 1ufn n ALA 62 N 4.79 1.62 1.44 2.13 0.00 -1.26 -2.50 120.51 126.72 1ufn n ALA 62 Ca -0.03 -0.82 0.02 0.00 0.00 0.00 0.00 53.44 52.61 1ufn n ALA 62 Cb 0.43 0.04 0.05 0.00 0.00 0.00 0.00 19.45 19.98 1ufn n ALA 62 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1ufn n THR 63 N -2.91 0.21 -1.82 0.00 5.66 -1.26 -4.90 114.28 109.26 1ufn n THR 63 Ca -0.30 -0.17 -0.35 0.00 -3.05 0.00 0.00 64.05 60.18 1ufn n THR 63 Cb 0.87 -0.03 0.05 0.00 -1.55 0.00 0.00 70.33 69.68 1ufn n THR 63 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1ufn s SER 64 N -0.82 4.88 -0.15 1.09 1.04 -1.26 -5.00 113.70 113.49 1ufn s SER 64 Ca 0.08 2.36 -0.13 0.00 0.48 0.00 0.00 55.95 58.74 1ufn s SER 64 Cb 0.05 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 1ufn s SER 64 CO 0.05 -1.80 -0.26 0.29 0.98 0.00 0.00 173.24 172.50 1ufn n LYS 65 N -1.98 0.45 -3.23 4.02 5.02 -1.26 -4.88 118.16 116.30 1ufn n LYS 65 Ca 0.13 0.29 -0.42 0.00 -2.02 0.00 0.00 58.31 56.29 1ufn n LYS 65 Cb 0.50 -1.42 -0.08 0.00 -0.02 0.00 0.00 35.03 34.01 1ufn n LYS 65 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ufn s ASP 66 N -5.62 6.28 0.21 4.39 -1.08 -1.26 -4.93 116.67 114.65 1ufn s ASP 66 Ca -0.21 -0.33 0.04 0.00 -0.52 0.00 0.00 52.55 51.52 1ufn s ASP 66 Cb 0.03 -2.27 0.15 0.00 -1.46 0.00 0.00 42.92 39.38 1ufn s ASP 66 CO 0.32 -0.60 1.49 4.11 0.52 0.00 0.00 175.17 181.01 1ufn h TRP 67 N 8.67 0.31 0.00 -5.34 5.08 -1.92 -2.99 115.95 119.75 1ufn h TRP 67 Ca -0.27 -0.14 -0.02 0.00 1.08 0.00 0.00 58.89 59.55 1ufn h TRP 67 Cb 1.11 -0.05 -0.00 0.00 -3.00 0.00 0.00 29.16 27.22 1ufn h TRP 67 CO 0.69 0.85 -0.09 0.87 -1.28 0.00 0.00 178.44 179.48 1ufn h LYS 68 N 0.15 0.00 0.08 0.12 1.57 -1.91 0.07 116.57 116.65 1ufn h LYS 68 Ca -0.02 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1ufn h LYS 68 Cb 1.25 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.58 1ufn h LYS 68 CO 0.11 0.09 -0.47 0.78 -0.57 0.00 0.00 179.45 179.39 1ufn h GLY 69 N 0.53 0.20 1.06 3.86 0.00 -1.93 -3.09 103.07 103.69 1ufn h GLY 69 Ca -0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 46.70 1ufn h GLY 69 CO 0.01 0.44 -0.20 -0.39 0.00 0.00 0.00 176.54 176.41 1ufn h VAL 70 N -0.64 1.27 -3.27 4.60 -1.51 -1.45 -3.43 116.25 111.83 1ufn h VAL 70 Ca -0.08 -1.34 -0.54 0.00 -1.23 0.00 0.00 66.70 63.51 1ufn h VAL 70 Cb 1.37 1.22 -0.01 0.00 -2.13 0.00 0.00 31.29 31.74 1ufn h VAL 70 CO 0.09 0.46 0.50 -0.63 -1.23 0.00 0.00 177.57 176.75 1ufn s ILE 71 N -4.66 4.41 -0.07 7.19 1.01 -0.01 -4.58 121.20 124.49 1ufn s ILE 71 Ca -0.12 1.72 0.04 0.00 0.00 0.00 0.00 60.65 62.29 1ufn s ILE 71 Cb 0.11 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 1ufn s ILE 71 CO 0.85 0.12 -0.18 -0.13 0.00 0.00 0.00 174.94 175.60 1ufn s ARG 72 N 1.18 2.72 -0.28 2.79 0.52 0.60 -3.27 118.95 123.22 1ufn s ARG 72 Ca 0.55 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 1ufn s ARG 72 Cb -0.25 -2.36 0.06 0.00 0.52 0.00 0.00 34.95 32.91 1ufn s ARG 72 CO 0.28 0.44 -0.05 0.00 0.02 0.00 0.00 175.30 175.99 1ufn n ASN 74 N 4.54 -5.44 0.00 0.00 3.02 -1.26 -1.33 115.26 114.80 1ufn n ASN 74 Ca -0.13 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 1ufn n ASN 74 Cb 0.43 -4.41 0.00 0.00 -0.61 0.00 0.00 39.78 35.19 1ufn n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ufn n GLY 75 N -1.18 1.60 3.23 7.41 0.00 -1.26 -5.02 105.19 109.98 1ufn n GLY 75 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1ufn n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ufn s GLU 76 N -0.42 3.15 0.35 1.61 8.01 -0.44 -5.06 118.70 125.90 1ufn s GLU 76 Ca 0.00 -0.78 -0.29 0.00 0.01 0.00 0.00 54.97 53.91 1ufn s GLU 76 Cb 0.00 -2.56 -0.12 0.00 -4.31 0.00 0.00 34.13 27.14 1ufn s GLU 76 CO 0.00 0.01 1.44 0.25 0.01 0.00 0.00 175.26 176.97 1ufn n THR 77 N 4.05 1.79 -0.32 3.63 -2.24 -1.26 0.16 114.28 120.09 1ufn n THR 77 Ca -0.19 -0.45 0.19 0.00 -2.27 0.00 0.00 64.05 61.33 1ufn n THR 77 Cb 0.52 -1.82 0.37 0.00 -2.10 0.00 0.00 70.33 67.29 1ufn n THR 77 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1ufn h LEU 78 N 3.19 -0.05 -0.41 3.22 3.38 -1.52 0.44 115.31 123.55 1ufn h LEU 78 Ca -0.48 0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.79 1ufn h LEU 78 Cb 1.25 0.33 -0.06 0.00 0.09 0.00 0.00 40.66 42.28 1ufn h LEU 78 CO 0.67 -0.28 0.07 -0.09 0.09 0.00 0.00 178.44 178.89 1ufn h ARG 79 N 0.11 0.19 -0.41 1.13 9.65 -1.88 0.24 114.38 123.40 1ufn h ARG 79 Ca 0.65 -0.01 0.05 0.00 -1.10 0.00 0.00 59.98 59.57 1ufn h ARG 79 Cb 1.45 -0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 29.94 1ufn h ARG 79 CO -0.77 0.13 0.14 1.25 2.80 0.00 0.00 179.97 183.51 1ufn h HIS 80 N 0.20 0.24 -0.58 2.20 2.76 -0.48 -0.17 115.15 119.32 1ufn h HIS 80 Ca 0.20 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.30 1ufn h HIS 80 Cb 0.25 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.14 1ufn h HIS 80 CO -0.21 0.09 0.00 -0.07 -1.30 0.00 0.00 177.93 176.44 1ufn h LEU 81 N 0.29 0.97 -0.45 0.26 3.38 -0.95 -2.84 115.31 115.98 1ufn h LEU 81 Ca 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1ufn h LEU 81 Cb 0.18 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1ufn h LEU 81 CO -0.20 1.03 0.26 -0.08 0.09 0.00 0.00 178.44 179.53 1ufn h GLU 82 N 0.92 0.62 -0.71 1.13 4.81 0.14 0.90 114.58 122.39 1ufn h GLU 82 Ca 0.17 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1ufn h GLU 82 Cb 0.53 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1ufn h GLU 82 CO 0.03 0.48 0.47 1.96 -0.73 0.00 0.00 179.01 181.22 1ufn h GLN 83 N 0.59 0.83 -0.01 1.92 4.20 -0.92 0.97 115.11 122.70 1ufn h GLN 83 Ca 0.16 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1ufn h GLN 83 Cb 0.03 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.62 1ufn h GLN 83 CO -0.03 0.55 0.00 1.63 -0.67 0.00 0.00 178.83 180.31 1ufn n LYS 84 N -4.46 0.98 -2.50 1.46 5.02 -0.94 -4.84 118.16 112.89 1ufn n LYS 84 Ca 0.09 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.24 1ufn n LYS 84 Cb 0.13 -1.01 0.01 0.00 -0.02 0.00 0.00 35.03 34.14 1ufn n LYS 84 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ufn n GLY 85 N 0.48 -0.14 0.11 0.72 0.00 0.34 -4.92 105.19 101.78 1ufn n GLY 85 Ca 0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 1ufn n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ufn n LEU 86 N -2.31 2.06 -4.60 0.99 4.77 0.27 -4.94 117.00 113.24 1ufn n LEU 86 Ca -0.12 -0.09 -0.34 0.00 -0.03 0.00 0.00 56.01 55.43 1ufn n LEU 86 Cb 0.60 -0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 41.15 1ufn n LEU 86 CO 0.24 0.77 -0.29 -0.22 -1.33 0.00 0.00 177.39 176.56 1ufn s LEU 87 N -6.08 3.61 0.10 2.23 2.96 -1.17 -4.91 118.68 115.43 1ufn s LEU 87 Ca -0.25 0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 53.65 1ufn s LEU 87 Cb 0.07 -1.89 -0.19 0.00 0.50 0.00 0.00 46.19 44.68 1ufn s LEU 87 CO 0.62 0.20 1.22 2.19 -1.32 0.00 0.00 176.35 179.26 1ufn h PHE 88 N 6.48 0.49 -6.36 5.38 -0.00 -1.92 -3.41 116.94 117.60 1ufn h PHE 88 Ca -0.37 -0.32 -0.48 0.00 -0.00 0.00 0.00 57.97 56.80 1ufn h PHE 88 Cb 1.18 -0.04 -0.05 0.00 -0.00 0.00 0.00 35.95 37.04 1ufn h PHE 88 CO 0.56 1.20 -0.79 0.45 -0.00 0.00 0.00 178.31 179.73 1ufn n SER 89 N -3.61 -3.85 0.00 -0.68 2.88 -1.26 -4.65 113.62 102.45 1ufn n SER 89 Ca -0.07 -0.83 0.00 0.00 -1.33 0.00 0.00 58.87 56.63 1ufn n SER 89 Cb 0.94 -3.68 0.00 0.00 -0.75 0.00 0.00 64.21 60.72 1ufn n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ufn n GLY 90 N -1.65 -0.02 0.25 0.46 0.00 -1.26 -4.67 105.19 98.30 1ufn n GLY 90 Ca -0.02 -1.70 0.14 0.00 0.00 0.00 0.00 46.02 44.44 1ufn n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ufn h PRO 91 N 0.00 0.00 -6.19 1.61 0.13 -1.84 -3.47 132.00 122.24 1ufn h PRO 91 Ca 0.00 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.68 1ufn h PRO 91 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1ufn h PRO 91 CO 0.00 0.11 -0.76 0.43 -0.23 0.00 0.00 178.00 177.55 1ufn n SER 92 N -3.29 -4.24 -5.01 1.44 7.64 -1.26 -4.98 113.62 103.92 1ufn n SER 92 Ca -0.00 -0.75 -0.18 0.00 1.01 0.00 0.00 58.87 58.94 1ufn n SER 92 Cb 0.34 -4.09 0.03 0.00 -1.01 0.00 0.00 64.21 59.48 1ufn n SER 92 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ufn s SER 93 N -3.54 5.41 0.00 6.43 1.04 -1.26 -5.28 113.70 116.50 1ufn s SER 93 Ca 0.51 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1ufn s SER 93 Cb -0.25 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.57 1ufn s SER 93 CO 0.81 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 174.67