#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufn n SER 2 N 0.00 3.10 -4.72 1.61 3.41 -1.26 -4.96 113.62 110.80 1ufn n SER 2 Ca 0.00 1.03 -0.33 0.00 -0.26 0.00 0.00 58.87 59.31 1ufn n SER 2 Cb 0.00 -1.35 -0.08 0.00 -0.26 0.00 0.00 64.21 62.52 1ufn n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ufn s SER 3 N 2.84 5.35 -0.29 4.04 0.01 -1.26 -5.09 113.70 119.31 1ufn s SER 3 Ca 0.89 0.08 -0.16 0.00 1.31 0.00 0.00 55.95 58.07 1ufn s SER 3 Cb -0.75 -1.47 -0.03 0.00 0.21 0.00 0.00 66.02 63.98 1ufn s SER 3 CO 0.49 0.29 0.41 -0.83 0.41 0.00 0.00 173.24 174.01 1ufn s GLY 4 N -1.52 1.87 0.18 3.44 0.00 -1.26 -5.04 107.32 104.99 1ufn s GLY 4 Ca 0.20 -0.88 -0.13 0.00 0.00 0.00 0.00 44.72 43.91 1ufn s GLY 4 CO 0.10 1.05 0.39 -0.56 0.00 0.00 0.00 173.10 174.09 1ufn s SER 5 N 1.66 -0.09 0.22 1.64 0.01 -1.26 -5.18 113.70 110.69 1ufn s SER 5 Ca 0.16 -0.69 -0.22 0.00 1.31 0.00 0.00 55.95 56.50 1ufn s SER 5 Cb -0.16 0.50 0.05 0.00 0.21 0.00 0.00 66.02 66.62 1ufn s SER 5 CO 0.11 -0.97 0.69 -0.55 0.41 0.00 0.00 173.24 172.93 1ufn s SER 6 N -2.92 -0.39 0.00 2.44 0.15 -1.26 -5.19 113.70 106.53 1ufn s SER 6 Ca 0.13 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1ufn s SER 6 Cb 0.01 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 1ufn s SER 6 CO -0.01 -1.15 0.00 0.61 1.20 0.00 0.00 173.24 173.89 1ufn n GLY 7 N -0.42 0.88 3.08 9.45 0.00 -1.26 -5.16 105.19 111.76 1ufn n GLY 7 Ca -0.10 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 44.88 1ufn n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ufn s ASN 8 N 0.00 2.01 -0.12 1.61 3.84 -1.26 -5.12 114.94 115.90 1ufn s ASN 8 Ca 0.00 -0.34 -0.26 0.00 0.21 0.00 0.00 52.86 52.47 1ufn s ASN 8 Cb 0.00 -0.78 -0.02 0.00 -0.55 0.00 0.00 41.25 39.90 1ufn s ASN 8 CO 0.00 0.09 0.86 -1.81 -2.79 0.00 0.00 177.10 173.45 1ufn s ASP 9 N 0.39 7.06 -0.15 -4.21 1.01 -1.26 -5.03 116.67 114.48 1ufn s ASP 9 Ca -0.11 1.30 -0.04 0.00 0.71 0.00 0.00 52.55 54.41 1ufn s ASP 9 Cb -0.14 -2.48 0.06 0.00 1.01 0.00 0.00 42.92 41.37 1ufn s ASP 9 CO 0.04 -0.34 0.09 0.00 0.21 0.00 0.00 175.17 175.17 1ufn s ALA 10 N 1.76 0.33 0.23 5.23 0.00 -1.26 -5.03 121.76 123.02 1ufn s ALA 10 Ca 0.41 -0.16 -0.07 0.00 0.00 0.00 0.00 51.96 52.15 1ufn s ALA 10 Cb -0.18 -0.97 0.37 0.00 0.00 0.00 0.00 23.12 22.34 1ufn s ALA 10 CO 0.16 -1.04 1.75 0.28 0.00 0.00 0.00 175.76 176.91 1ufn h VAL 11 N 6.42 0.74 -0.92 0.00 2.07 -1.96 -0.75 116.25 121.84 1ufn h VAL 11 Ca -0.15 -0.16 0.14 0.00 0.82 0.00 0.00 66.70 67.36 1ufn h VAL 11 Cb 1.14 0.23 -0.09 0.00 -1.52 0.00 0.00 31.29 31.05 1ufn h VAL 11 CO 0.26 0.09 0.53 -2.24 0.02 0.00 0.00 177.57 176.23 1ufn h ASP 12 N 0.47 0.71 -0.96 0.57 3.04 -1.96 -2.16 116.42 116.13 1ufn h ASP 12 Ca 0.36 0.08 0.17 0.00 -3.24 0.00 0.00 57.03 54.40 1ufn h ASP 12 Cb 0.48 -0.05 -0.17 0.00 -1.04 0.00 0.00 39.33 38.55 1ufn h ASP 12 CO -0.34 0.32 -0.30 0.33 -2.04 0.00 0.00 179.24 177.21 1ufn n PHE 13 N -4.77 0.20 -2.11 4.15 7.35 -0.29 -4.05 117.46 117.94 1ufn n PHE 13 Ca 0.18 1.17 -0.43 0.00 -0.76 0.00 0.00 57.45 57.62 1ufn n PHE 13 Cb 0.42 -0.96 -0.03 0.00 0.35 0.00 0.00 39.48 39.27 1ufn n PHE 13 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1ufn s SER 14 N -5.29 6.31 0.00 -2.13 0.15 -0.81 -4.85 113.70 107.07 1ufn s SER 14 Ca -0.14 1.54 0.16 0.00 0.70 0.00 0.00 55.95 58.21 1ufn s SER 14 Cb 0.23 -2.53 0.93 0.00 -1.71 0.00 0.00 66.02 62.93 1ufn s SER 14 CO 0.72 -1.33 1.35 -0.81 1.20 0.00 0.00 173.24 174.37 1ufn n PRO 15 N 7.79 0.48 -5.26 5.44 -0.04 -1.26 -4.65 135.00 137.50 1ufn n PRO 15 Ca 0.19 0.01 -0.31 0.00 -0.04 0.00 0.00 63.50 63.35 1ufn n PRO 15 Cb 0.46 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.25 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 -2.02 2.00 -0.02 0.52 -4.23 -1.26 -0.42 115.64 110.20 1ufn s THR 16 Ca 0.23 -1.06 0.02 0.00 -1.18 0.00 0.00 61.69 59.70 1ufn s THR 16 Cb 0.11 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 72.28 1ufn s THR 16 CO 0.18 0.56 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.98 1ufn s LEU 17 N -0.42 1.81 -0.27 4.79 1.43 -0.35 -4.96 118.68 120.72 1ufn s LEU 17 Ca 0.04 -0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 52.68 1ufn s LEU 17 Cb -0.11 -0.52 -0.02 0.00 0.03 0.00 0.00 46.19 45.56 1ufn s LEU 17 CO 0.01 0.07 1.64 -2.16 0.23 0.00 0.00 176.35 176.14 1ufn s PRO 18 N 0.15 3.66 0.16 1.29 0.04 -1.26 -1.25 135.00 137.79 1ufn s PRO 18 Ca -0.02 1.54 0.11 0.00 0.04 0.00 0.00 61.00 62.66 1ufn s PRO 18 Cb -0.08 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.35 1ufn s PRO 18 CO 0.00 -1.46 -0.23 0.14 0.04 0.00 0.00 177.00 175.49 1ufn s VAL 19 N 5.65 2.46 -0.09 -0.36 -7.23 -0.98 -4.18 120.40 115.68 1ufn s VAL 19 Ca 0.73 -1.86 -0.04 0.00 -1.81 0.00 0.00 61.98 59.00 1ufn s VAL 19 Cb -0.23 -2.15 0.04 0.00 0.56 0.00 0.00 36.38 34.60 1ufn s VAL 19 CO 0.31 -0.03 0.20 0.42 -0.31 0.00 0.00 175.10 175.68 1ufn s THR 20 N -1.43 -0.09 -0.32 5.32 -4.23 0.22 -1.52 115.64 113.59 1ufn s THR 20 Ca 0.19 0.19 0.03 0.00 -1.18 0.00 0.00 61.69 60.92 1ufn s THR 20 Cb -0.09 -0.32 0.09 0.00 1.34 0.00 0.00 72.50 73.52 1ufn s THR 20 CO 0.09 0.08 0.03 0.00 -0.54 0.00 0.00 174.62 174.28 1ufn n GLY 22 N 4.40 1.91 1.26 0.00 0.00 -1.26 0.42 105.19 111.91 1ufn n GLY 22 Ca -0.01 0.41 0.07 0.00 0.00 0.00 0.00 46.02 46.49 1ufn n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ufn n LYS 23 N 2.71 3.07 -4.96 1.61 5.02 -1.25 -4.88 118.16 119.47 1ufn n LYS 23 Ca 0.00 -2.11 -0.30 0.00 -2.02 0.00 0.00 58.31 53.88 1ufn n LYS 23 Cb 0.00 -1.75 -0.15 0.00 -0.02 0.00 0.00 35.03 33.11 1ufn n LYS 23 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ufn s ALA 24 N -1.80 2.27 -0.03 7.82 0.00 0.17 -4.70 121.76 125.48 1ufn s ALA 24 Ca 0.38 -1.24 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 1ufn s ALA 24 Cb 0.25 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1ufn s ALA 24 CO 0.18 0.54 0.07 0.15 0.00 0.00 0.00 175.76 176.69 1ufn s LYS 25 N -1.15 0.03 0.00 0.00 3.01 -1.26 0.55 119.74 120.91 1ufn s LYS 25 Ca 0.12 0.20 0.00 0.00 -1.01 0.00 0.00 55.97 55.28 1ufn s LYS 25 Cb -0.10 -0.14 0.00 0.00 -1.01 0.00 0.00 37.83 36.58 1ufn s LYS 25 CO 0.02 -0.12 0.00 0.41 0.51 0.00 0.00 175.35 176.17 1ufn n GLY 26 N 3.83 3.62 2.93 -3.33 0.00 -0.58 -3.45 105.19 108.22 1ufn n GLY 26 Ca -0.23 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.28 -0.10 -0.07 2.61 2.01 0.17 -2.31 115.64 116.66 1ufn s THR 27 Ca 0.00 0.21 -0.21 0.00 0.31 0.00 0.00 61.69 62.00 1ufn s THR 27 Cb 0.00 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 1ufn s THR 27 CO 0.00 0.09 0.60 -0.22 -0.69 0.00 0.00 174.62 174.40 1ufn s LEU 28 N 1.45 4.32 -0.43 4.42 2.96 -0.38 -1.24 118.68 129.78 1ufn s LEU 28 Ca -0.06 1.05 -0.07 0.00 -0.22 0.00 0.00 54.13 54.82 1ufn s LEU 28 Cb -0.12 -2.91 0.10 0.00 0.50 0.00 0.00 46.19 43.77 1ufn s LEU 28 CO -0.06 -0.03 0.27 -0.36 -1.32 0.00 0.00 176.35 174.85 1ufn s PHE 29 N 0.52 3.43 0.32 5.38 0.40 -1.16 -1.21 117.98 125.66 1ufn s PHE 29 Ca 0.32 -1.90 0.09 0.00 -0.60 0.00 0.00 56.93 54.84 1ufn s PHE 29 Cb -0.17 -3.20 0.95 0.00 0.51 0.00 0.00 43.02 41.11 1ufn s PHE 29 CO 0.15 -0.93 1.62 1.96 0.70 0.00 0.00 175.22 178.72 1ufn h GLN 30 N 8.32 0.15 -0.97 0.44 4.20 -1.12 0.99 115.11 127.12 1ufn h GLN 30 Ca -0.20 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.56 1ufn h GLN 30 Cb 1.07 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.75 1ufn h GLN 30 CO 0.77 0.10 0.63 1.49 -0.67 0.00 0.00 178.83 181.15 1ufn h GLU 31 N 0.15 1.11 0.00 1.46 4.81 -1.93 0.45 114.58 120.62 1ufn h GLU 31 Ca 0.67 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.83 1ufn h GLU 31 Cb 1.52 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1ufn h GLU 31 CO -0.72 0.73 -0.40 1.63 -0.73 0.00 0.00 179.01 179.52 1ufn n LYS 32 N -4.49 0.20 -0.02 1.92 5.02 0.31 -3.73 118.16 117.38 1ufn n LYS 32 Ca 0.15 0.09 -0.09 0.00 -2.02 0.00 0.00 58.31 56.43 1ufn n LYS 32 Cb 0.17 -1.66 -0.14 0.00 -0.02 0.00 0.00 35.03 33.39 1ufn n LYS 32 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1ufn h LEU 33 N 0.00 0.02 -0.65 -0.35 5.85 0.12 -3.37 115.31 116.93 1ufn h LEU 33 Ca 0.00 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.78 1ufn h LEU 33 Cb 0.67 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.62 1ufn h LEU 33 CO 0.00 1.03 0.26 0.11 -0.34 0.00 0.00 178.44 179.50 1ufn h LYS 34 N 0.00 0.43 -0.14 1.25 1.57 -0.27 -2.10 116.57 117.31 1ufn h LYS 34 Ca -0.28 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.51 1ufn h LYS 34 Cb 2.00 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 34.18 1ufn h LYS 34 CO 0.08 0.29 -0.07 1.96 -0.57 0.00 0.00 179.45 181.14 1ufn h GLN 35 N 0.45 -0.06 0.00 3.15 4.20 -1.73 -3.44 115.11 117.67 1ufn h GLN 35 Ca 0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1ufn h GLN 35 Cb 0.42 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1ufn h GLN 35 CO -0.32 -0.04 0.00 0.41 -0.67 0.00 0.00 178.83 178.21 1ufn n GLY 36 N -1.21 1.40 0.41 3.46 0.00 -0.79 -4.98 105.19 103.47 1ufn n GLY 36 Ca -0.03 -0.57 0.01 0.00 0.00 0.00 0.00 46.02 45.42 1ufn n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufn n ALA 37 N -0.26 2.55 -0.04 4.61 0.00 -1.26 -3.13 120.51 122.99 1ufn n ALA 37 Ca 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 53.44 53.33 1ufn n ALA 37 Cb 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.11 1.92 -4.80 0.00 3.41 -1.26 -3.96 113.62 108.83 1ufn n SER 38 Ca 0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.27 1ufn n SER 38 Cb 0.21 1.17 -0.06 0.00 -0.26 0.00 0.00 64.21 65.27 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 -2.59 4.39 -0.39 4.33 3.01 -1.18 -4.75 119.74 122.56 1ufn s LYS 39 Ca -0.06 1.26 -0.27 0.00 -1.01 0.00 0.00 55.97 55.89 1ufn s LYS 39 Cb 0.06 -2.51 -0.05 0.00 -1.01 0.00 0.00 37.83 34.32 1ufn s LYS 39 CO 0.53 0.10 2.25 0.15 0.51 0.00 0.00 175.35 178.90 1ufn s LYS 40 N -2.58 2.59 -0.01 1.68 -0.14 -1.26 -4.43 119.74 115.59 1ufn s LYS 40 Ca 0.56 1.57 0.02 0.00 -1.36 0.00 0.00 55.97 56.76 1ufn s LYS 40 Cb -0.15 -4.47 -0.03 0.00 -1.68 0.00 0.00 37.83 31.51 1ufn s LYS 40 CO 0.19 -2.72 0.02 0.00 -0.76 0.00 0.00 175.35 172.09 1ufn s ILE 42 N -2.09 4.49 -0.23 0.00 1.01 -0.54 -2.98 121.20 120.86 1ufn s ILE 42 Ca -0.01 0.56 -0.17 0.00 0.00 0.00 0.00 60.65 61.03 1ufn s ILE 42 Cb 0.01 -4.44 -0.03 0.00 0.01 0.00 0.00 42.46 38.01 1ufn s ILE 42 CO 0.09 -0.88 0.44 -1.58 0.00 0.00 0.00 174.94 173.01 1ufn s GLN 43 N 3.71 4.12 1.02 2.79 0.74 -0.37 0.14 119.66 131.80 1ufn s GLN 43 Ca 0.34 0.23 -0.16 0.00 0.05 0.00 0.00 55.36 55.82 1ufn s GLN 43 Cb -0.11 -3.59 0.21 0.00 1.10 0.00 0.00 33.01 30.61 1ufn s GLN 43 CO 0.24 -0.18 1.19 0.54 -0.55 0.00 0.00 175.29 176.53 1ufn s ASN 44 N 1.31 2.55 0.59 6.67 2.20 -0.86 -0.66 114.94 126.74 1ufn s ASN 44 Ca 0.20 0.62 0.30 0.00 -0.94 0.00 0.00 52.86 53.03 1ufn s ASN 44 Cb -0.15 -0.90 1.84 0.00 -2.00 0.00 0.00 41.25 40.04 1ufn s ASN 44 CO 0.09 -3.11 2.26 -0.33 -2.94 0.00 0.00 177.10 173.07 1ufn h GLU 45 N -1.89 0.00 0.00 3.55 5.08 -1.90 0.13 114.58 119.55 1ufn h GLU 45 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1ufn h GLU 45 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1ufn h GLU 45 CO 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.46 1ufn n ALA 46 N -2.32 2.27 0.00 3.43 0.00 -1.26 -4.91 120.51 117.73 1ufn n ALA 46 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1ufn n ALA 46 Cb 0.08 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 1.33 3.46 3.67 0.00 0.00 0.44 -5.03 105.19 109.06 1ufn n GLY 47 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.99 6.68 0.55 1.61 1.01 -1.26 -4.59 116.67 119.68 1ufn s ASP 48 Ca 0.00 2.26 -0.19 0.00 0.71 0.00 0.00 52.55 55.32 1ufn s ASP 48 Cb 0.00 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.33 1ufn s ASP 48 CO 0.00 -0.90 1.14 0.26 0.21 0.00 0.00 175.17 175.88 1ufn s TRP 49 N 3.64 2.64 -0.01 4.23 0.52 -1.26 -2.03 118.94 126.67 1ufn s TRP 49 Ca 0.72 1.54 -0.02 0.00 0.02 0.00 0.00 56.10 58.36 1ufn s TRP 49 Cb -0.34 -3.31 -0.00 0.00 -1.15 0.00 0.00 33.47 28.67 1ufn s TRP 49 CO 0.29 -1.64 0.04 -0.51 0.02 0.00 0.00 176.95 175.16 1ufn s LEU 50 N -3.82 1.88 0.38 2.99 1.43 0.37 -4.91 118.68 116.99 1ufn s LEU 50 Ca 0.73 -0.10 -0.25 0.00 -1.03 0.00 0.00 54.13 53.48 1ufn s LEU 50 Cb -0.24 0.23 -0.09 0.00 0.03 0.00 0.00 46.19 46.11 1ufn s LEU 50 CO 0.27 -0.14 1.11 0.42 0.23 0.00 0.00 176.35 178.24 1ufn s THR 51 N -0.56 3.44 0.40 5.49 -4.23 -1.26 -1.47 115.64 117.44 1ufn s THR 51 Ca -0.06 1.19 0.35 0.00 -1.18 0.00 0.00 61.69 61.99 1ufn s THR 51 Cb -0.04 -3.66 0.52 0.00 1.34 0.00 0.00 72.50 70.66 1ufn s THR 51 CO -0.00 0.09 1.17 0.52 -0.54 0.00 0.00 174.62 175.86 1ufn n VAL 52 N 0.17 -0.04 -0.03 2.29 0.31 -1.25 0.76 118.33 120.53 1ufn n VAL 52 Ca 0.04 1.16 -0.04 0.00 -0.01 0.00 0.00 64.34 65.49 1ufn n VAL 52 Cb 0.48 -1.93 -0.04 0.00 -0.91 0.00 0.00 33.84 31.44 1ufn n VAL 52 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1ufn h LYS 53 N 0.00 -0.06 -0.83 5.55 1.63 -1.89 -3.32 116.57 117.65 1ufn h LYS 53 Ca 0.70 0.00 0.16 0.00 -0.85 0.00 0.00 60.65 60.66 1ufn h LYS 53 Cb 2.69 0.01 -0.16 0.00 -0.60 0.00 0.00 32.23 34.17 1ufn h LYS 53 CO -0.08 0.20 -0.22 0.93 -3.45 0.00 0.00 179.45 176.83 1ufn h GLU 54 N -1.00 -0.01 -0.88 1.90 5.08 0.00 0.43 114.58 120.10 1ufn h GLU 54 Ca -0.01 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.58 1ufn h GLU 54 Cb 0.28 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.41 1ufn h GLU 54 CO 0.01 -0.00 0.34 0.35 -1.00 0.00 0.00 179.01 178.71 1ufn h PHE 55 N -0.01 0.55 0.95 4.33 3.57 -1.50 -1.64 116.94 123.20 1ufn h PHE 55 Ca 0.39 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.89 1ufn h PHE 55 Cb 0.61 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 39.25 1ufn h PHE 55 CO -0.66 -0.10 -0.46 -0.07 -2.23 0.00 0.00 178.31 174.79 1ufn h LEU 56 N 0.33 -1.09 -0.94 0.59 3.38 -0.24 -2.87 115.31 114.48 1ufn h LEU 56 Ca 0.55 0.04 0.28 0.00 0.09 0.00 0.00 57.88 58.85 1ufn h LEU 56 Cb 1.08 0.28 -0.15 0.00 0.09 0.00 0.00 40.66 41.96 1ufn h LEU 56 CO -0.57 -0.77 0.32 -1.13 0.09 0.00 0.00 178.44 176.38 1ufn h ASN 57 N -1.29 0.10 -0.90 -0.43 -0.73 -1.05 0.95 115.58 112.23 1ufn h ASN 57 Ca -0.13 0.22 0.16 0.00 1.87 0.00 0.00 56.30 58.42 1ufn h ASN 57 Cb 0.98 0.27 -0.07 0.00 0.27 0.00 0.00 38.32 39.77 1ufn h ASN 57 CO 0.22 -0.21 0.58 -0.33 -0.37 0.00 0.00 177.43 177.31 1ufn h GLU 58 N 0.18 0.61 0.08 6.67 3.07 -1.13 -2.25 114.58 121.81 1ufn h GLU 58 Ca 0.64 -0.04 -0.33 0.00 -0.50 0.00 0.00 59.36 59.13 1ufn h GLU 58 Cb 1.40 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 29.15 1ufn h GLU 58 CO -0.70 0.41 -1.84 0.78 -1.40 0.00 0.00 179.01 176.26 1ufn h GLY 59 N 0.63 0.19 0.00 -3.84 0.00 0.82 -3.40 103.07 97.47 1ufn h GLY 59 Ca 0.47 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1ufn h GLY 59 CO -0.22 0.42 0.00 0.61 0.00 0.00 0.00 176.54 177.35 1ufn n GLY 60 N 1.80 1.90 0.67 4.60 0.00 0.85 -3.90 105.19 111.10 1ufn n GLY 60 Ca -0.25 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.85 1ufn n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ufn n ARG 61 N -0.25 2.67 -0.18 1.61 3.00 -1.08 -4.71 116.66 117.73 1ufn n ARG 61 Ca 0.00 -2.58 -0.01 0.00 -0.01 0.00 0.00 57.85 55.25 1ufn n ARG 61 Cb 0.00 -1.64 0.08 0.00 0.00 0.00 0.00 32.46 30.90 1ufn n ARG 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ufn h ALA 62 N 1.48 0.54 -0.90 7.54 0.00 -1.87 0.11 119.26 126.16 1ufn h ALA 62 Ca 0.00 0.16 0.24 0.00 0.00 0.00 0.00 54.91 55.31 1ufn h ALA 62 Cb 1.19 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 1ufn h ALA 62 CO 0.13 -0.38 0.63 0.00 0.00 0.00 0.00 179.25 179.63 1ufn h THR 63 N 0.13 0.59 -3.97 0.00 1.03 -1.97 -3.41 112.91 105.31 1ufn h THR 63 Ca 0.28 -0.05 -0.53 0.00 -0.01 0.00 0.00 66.41 66.10 1ufn h THR 63 Cb 0.43 0.43 0.09 0.00 -1.07 0.00 0.00 68.15 68.03 1ufn h THR 63 CO -0.45 0.03 0.62 -0.55 -0.01 0.00 0.00 175.52 175.16 1ufn s SER 64 N -5.62 6.09 -0.18 0.00 0.15 0.39 -4.96 113.70 109.56 1ufn s SER 64 Ca -0.06 2.68 -0.18 0.00 0.70 0.00 0.00 55.95 59.10 1ufn s SER 64 Cb 0.22 -2.64 -0.21 0.00 -1.71 0.00 0.00 66.02 61.68 1ufn s SER 64 CO 0.78 -1.01 0.27 0.50 1.20 0.00 0.00 173.24 174.98 1ufn h LYS 65 N 2.40 0.08 -6.51 5.44 3.64 -1.84 -3.45 116.57 116.33 1ufn h LYS 65 Ca -0.50 -0.14 -0.57 0.00 -1.27 0.00 0.00 60.65 58.18 1ufn h LYS 65 Cb 1.26 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 33.07 1ufn h LYS 65 CO 0.61 1.07 0.94 -0.51 -2.27 0.00 0.00 179.45 179.29 1ufn s ASP 66 N -6.91 6.67 0.11 4.20 1.11 -1.26 -4.89 116.67 115.71 1ufn s ASP 66 Ca -0.27 0.82 0.06 0.00 0.18 0.00 0.00 52.55 53.35 1ufn s ASP 66 Cb 0.06 -2.54 -0.21 0.00 1.07 0.00 0.00 42.92 41.29 1ufn s ASP 66 CO 0.65 -1.15 1.26 4.11 1.18 0.00 0.00 175.17 181.22 1ufn h TRP 67 N 9.18 0.03 0.00 4.23 5.08 -1.94 -3.12 115.95 129.42 1ufn h TRP 67 Ca -0.24 -0.02 -0.02 0.00 1.08 0.00 0.00 58.89 59.69 1ufn h TRP 67 Cb 1.07 -0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.23 1ufn h TRP 67 CO 0.92 1.02 -0.10 0.87 -1.28 0.00 0.00 178.44 179.87 1ufn h LYS 68 N 0.00 0.00 0.10 0.12 1.57 -1.90 -0.81 116.57 115.66 1ufn h LYS 68 Ca -0.02 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.51 1ufn h LYS 68 Cb 1.79 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.09 1ufn h LYS 68 CO 0.13 0.10 -1.26 0.78 -0.57 0.00 0.00 179.45 178.63 1ufn h GLY 69 N 1.30 0.23 1.10 3.86 0.00 -1.92 -0.76 103.07 106.88 1ufn h GLY 69 Ca -0.00 -0.60 -0.14 0.00 0.00 0.00 0.00 47.33 46.59 1ufn h GLY 69 CO 0.01 0.52 -0.28 -0.39 0.00 0.00 0.00 176.54 176.41 1ufn h VAL 70 N -0.43 1.27 -3.74 4.60 -1.51 -1.48 -3.44 116.25 111.52 1ufn h VAL 70 Ca -0.28 -1.45 -0.49 0.00 -1.23 0.00 0.00 66.70 63.26 1ufn h VAL 70 Cb 1.65 1.26 -0.02 0.00 -2.13 0.00 0.00 31.29 32.05 1ufn h VAL 70 CO 0.03 0.49 0.32 -0.63 -1.23 0.00 0.00 177.57 176.55 1ufn s ILE 71 N -4.55 4.16 -0.01 7.19 1.01 -0.32 -4.52 121.20 124.15 1ufn s ILE 71 Ca -0.11 1.95 0.03 0.00 0.00 0.00 0.00 60.65 62.52 1ufn s ILE 71 Cb 0.11 -4.22 -0.00 0.00 0.01 0.00 0.00 42.46 38.36 1ufn s ILE 71 CO 0.87 0.41 -0.11 -0.13 0.00 0.00 0.00 174.94 175.99 1ufn s ARG 72 N -1.40 0.96 -0.02 2.79 0.52 -0.15 -3.45 118.95 118.20 1ufn s ARG 72 Ca 0.42 -0.38 -0.01 0.00 -0.52 0.00 0.00 55.73 55.25 1ufn s ARG 72 Cb -0.24 -0.91 -0.00 0.00 0.52 0.00 0.00 34.95 34.32 1ufn s ARG 72 CO 0.29 0.20 -0.01 0.00 0.02 0.00 0.00 175.30 175.80 1ufn n ASN 74 N -2.48 2.80 0.00 0.00 3.02 -1.26 -4.46 115.26 112.87 1ufn n ASN 74 Ca -0.00 -2.85 0.00 0.00 -0.03 0.00 0.00 54.58 51.70 1ufn n ASN 74 Cb 0.02 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 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 -0.90 1.06 3.62 7.41 0.00 -1.26 -5.12 105.19 109.99 1ufn n GLY 75 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 1.98 0.03 1.61 8.01 -1.26 -5.02 118.70 124.05 1ufn s GLU 76 Ca 0.00 -1.95 -0.30 0.00 0.01 0.00 0.00 54.97 52.73 1ufn s GLU 76 Cb 0.00 -1.76 -0.04 0.00 -4.31 0.00 0.00 34.13 28.02 1ufn s GLU 76 CO 0.00 0.03 0.96 0.95 0.01 0.00 0.00 175.26 177.21 1ufn s THR 77 N -2.63 4.77 0.38 3.63 -4.23 -1.26 -2.51 115.64 113.79 1ufn s THR 77 Ca 0.35 2.03 0.23 0.00 -1.18 0.00 0.00 61.69 63.12 1ufn s THR 77 Cb 0.05 -4.31 0.38 0.00 1.34 0.00 0.00 72.50 69.96 1ufn s THR 77 CO 0.18 0.21 1.55 0.18 -0.54 0.00 0.00 174.62 176.21 1ufn n LEU 78 N 3.57 0.32 -0.05 4.79 4.77 -0.29 0.11 117.00 130.21 1ufn n LEU 78 Ca 0.05 1.58 -0.10 0.00 -0.03 0.00 0.00 56.01 57.51 1ufn n LEU 78 Cb 0.50 -0.77 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 1ufn n LEU 78 CO 0.51 -1.76 0.95 -0.09 -1.33 0.00 0.00 177.39 175.67 1ufn h ARG 79 N 0.00 0.28 -0.48 3.23 9.65 -1.91 0.15 114.38 125.30 1ufn h ARG 79 Ca 0.84 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.71 1ufn h ARG 79 Cb 2.34 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 30.83 1ufn h ARG 79 CO -0.70 0.21 0.31 1.25 2.80 0.00 0.00 179.97 183.84 1ufn h HIS 80 N 0.27 0.59 -0.48 2.20 2.76 0.45 -2.20 115.15 118.73 1ufn h HIS 80 Ca 0.08 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.24 1ufn h HIS 80 Cb -0.00 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.74 1ufn h HIS 80 CO -0.06 0.36 0.22 -0.07 -1.30 0.00 0.00 177.93 177.09 1ufn h LEU 81 N 0.63 0.64 -0.66 0.26 3.38 -1.13 -2.81 115.31 115.62 1ufn h LEU 81 Ca 0.18 -0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.10 1ufn h LEU 81 Cb -0.05 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.47 1ufn h LEU 81 CO -0.05 0.60 0.32 -0.08 0.09 0.00 0.00 178.44 179.32 1ufn h GLU 82 N 0.63 0.55 -0.82 1.13 4.22 -0.64 -0.66 114.58 118.99 1ufn h GLU 82 Ca 0.16 -0.03 0.06 0.00 0.08 0.00 0.00 59.36 59.64 1ufn h GLU 82 Cb 0.14 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1ufn h GLU 82 CO -0.02 0.36 0.54 1.96 -2.18 0.00 0.00 179.01 179.67 1ufn h GLN 83 N 0.57 0.87 -0.41 1.92 4.20 -1.15 0.15 115.11 121.25 1ufn h GLN 83 Ca 0.32 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1ufn h GLN 83 Cb 0.32 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1ufn h GLN 83 CO -0.25 0.58 0.00 1.63 -0.67 0.00 0.00 178.83 180.12 1ufn n LYS 84 N -4.48 1.16 -2.62 1.46 5.02 -0.39 -4.84 118.16 113.47 1ufn n LYS 84 Ca 0.12 -0.18 -0.18 0.00 -2.02 0.00 0.00 58.31 56.05 1ufn n LYS 84 Cb 0.21 -1.24 0.01 0.00 -0.02 0.00 0.00 35.03 34.00 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 0.36 -0.32 0.12 0.72 0.00 0.51 -4.90 105.19 101.69 1ufn n GLY 85 Ca 0.02 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.93 2.16 -4.50 0.99 4.77 -0.40 -4.98 117.00 112.11 1ufn n LEU 86 Ca -0.15 -0.08 -0.30 0.00 -0.03 0.00 0.00 56.01 55.46 1ufn n LEU 86 Cb 0.63 -0.54 -0.11 0.00 -2.33 0.00 0.00 43.42 41.06 1ufn n LEU 86 CO 0.32 0.81 -0.48 -0.22 -1.33 0.00 0.00 177.39 176.49 1ufn s LEU 87 N -6.27 2.75 -0.11 2.23 2.96 -1.23 -4.80 118.68 114.21 1ufn s LEU 87 Ca -0.27 -0.48 0.04 0.00 -0.22 0.00 0.00 54.13 53.20 1ufn s LEU 87 Cb 0.08 -1.60 -0.24 0.00 0.50 0.00 0.00 46.19 44.93 1ufn s LEU 87 CO 0.67 0.20 0.41 2.22 -1.32 0.00 0.00 176.35 178.54 1ufn n PHE 88 N 1.01 0.94 -3.93 5.38 -1.74 -1.26 -4.43 117.46 113.42 1ufn n PHE 88 Ca -0.15 0.26 -0.31 0.00 -0.56 0.00 0.00 57.45 56.69 1ufn n PHE 88 Cb 0.52 -1.15 0.01 0.00 1.52 0.00 0.00 39.48 40.39 1ufn n PHE 88 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1ufn n SER 89 N -3.22 -4.55 0.00 5.98 2.88 -1.26 -4.63 113.62 108.82 1ufn n SER 89 Ca -0.27 -0.79 0.00 0.00 -1.33 0.00 0.00 58.87 56.48 1ufn n SER 89 Cb 1.05 -3.65 0.00 0.00 -0.75 0.00 0.00 64.21 60.87 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 -1.61 -1.87 3.76 0.46 0.00 -1.26 -4.97 105.19 99.69 1ufn n GLY 90 Ca 0.05 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 1ufn n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ufn s PRO 91 N -0.07 4.44 -0.21 1.61 0.04 -1.26 -5.02 135.00 134.52 1ufn s PRO 91 Ca 0.00 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1ufn s PRO 91 Cb 0.00 -3.14 0.05 0.00 0.04 0.00 0.00 34.50 31.45 1ufn s PRO 91 CO 0.00 -0.11 -0.06 -1.54 0.04 0.00 0.00 177.00 175.33 1ufn s SER 92 N -0.28 3.45 0.35 6.66 1.04 -1.26 -5.12 113.70 118.54 1ufn s SER 92 Ca 0.51 -0.97 -0.28 0.00 0.48 0.00 0.00 55.95 55.69 1ufn s SER 92 Cb -0.37 -1.10 -0.10 0.00 0.10 0.00 0.00 66.02 64.56 1ufn s SER 92 CO 0.45 -0.21 1.27 -0.55 0.98 0.00 0.00 173.24 175.18 1ufn s SER 93 N 1.48 6.70 0.00 7.02 0.15 -1.26 -5.26 113.70 122.53 1ufn s SER 93 Ca -0.03 2.60 0.00 0.00 0.70 0.00 0.00 55.95 59.23 1ufn s SER 93 Cb -0.17 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.50 1ufn s SER 93 CO -0.07 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.40