#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 -0.29 0.75 1.61 0.15 -1.26 -4.83 113.70 109.83 1ufn s SER 2 Ca 0.00 0.44 -0.11 0.00 0.70 0.00 0.00 55.95 56.98 1ufn s SER 2 Cb 0.00 0.54 0.04 0.00 -1.71 0.00 0.00 66.02 64.89 1ufn s SER 2 CO 0.00 -0.25 1.08 -0.44 1.20 0.00 0.00 173.24 174.83 1ufn s SER 3 N -0.44 4.97 0.00 5.45 0.01 -1.26 -4.19 113.70 118.24 1ufn s SER 3 Ca -0.06 1.41 0.00 0.00 1.31 0.00 0.00 55.95 58.61 1ufn s SER 3 Cb -0.04 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 63.99 1ufn s SER 3 CO 0.02 -1.68 0.00 0.61 0.41 0.00 0.00 173.24 172.60 1ufn n GLY 4 N -2.17 2.00 3.23 3.44 0.00 -1.26 -4.84 105.19 105.58 1ufn n GLY 4 Ca 0.07 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 1ufn n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ufn s SER 5 N 0.00 0.68 -0.04 1.61 0.15 -1.26 -5.16 113.70 109.67 1ufn s SER 5 Ca 0.00 -1.30 0.03 0.00 0.70 0.00 0.00 55.95 55.38 1ufn s SER 5 Cb 0.00 0.25 0.01 0.00 -1.71 0.00 0.00 66.02 64.57 1ufn s SER 5 CO 0.00 -0.73 -0.12 -0.94 1.20 0.00 0.00 173.24 172.65 1ufn s SER 6 N -3.18 1.58 0.00 5.45 1.04 -1.26 -4.47 113.70 112.86 1ufn s SER 6 Ca 0.32 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1ufn s SER 6 Cb 0.07 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.66 1ufn s SER 6 CO 0.08 0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.98 1ufn n GLY 7 N 3.44 2.43 3.96 7.32 0.00 -1.26 -5.14 105.19 115.94 1ufn n GLY 7 Ca -0.20 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 1ufn n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ufn s ASN 8 N 0.00 5.96 0.19 1.61 0.01 -1.26 -5.12 114.94 116.33 1ufn s ASN 8 Ca 0.00 0.19 0.08 0.00 -0.71 0.00 0.00 52.86 52.42 1ufn s ASN 8 Cb 0.00 -1.56 -0.04 0.00 0.41 0.00 0.00 41.25 40.06 1ufn s ASN 8 CO 0.00 -0.55 -0.01 1.51 -1.51 0.00 0.00 177.10 176.55 1ufn s ASP 9 N -4.17 4.70 -0.22 -1.22 -4.77 -1.26 -4.77 116.67 104.95 1ufn s ASP 9 Ca 0.46 -0.45 -0.34 0.00 -3.30 0.00 0.00 52.55 48.91 1ufn s ASP 9 Cb -0.10 -0.97 -0.11 0.00 -1.09 0.00 0.00 42.92 40.66 1ufn s ASP 9 CO 0.36 0.07 2.04 0.00 0.70 0.00 0.00 175.17 178.34 1ufn n ALA 10 N -0.26 0.99 -0.09 2.11 0.00 -1.26 -4.86 120.51 117.14 1ufn n ALA 10 Ca -0.09 0.08 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 1ufn n ALA 10 Cb 0.56 -2.56 -0.06 0.00 0.00 0.00 0.00 19.45 17.39 1ufn n ALA 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ufn n VAL 11 N 6.28 1.48 0.22 0.00 0.31 -1.26 -3.06 118.33 122.30 1ufn n VAL 11 Ca 0.31 0.07 0.08 0.00 -0.01 0.00 0.00 64.34 64.78 1ufn n VAL 11 Cb 0.28 -2.22 0.53 0.00 -0.91 0.00 0.00 33.84 31.52 1ufn n VAL 11 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1ufn h ASP 12 N -1.00 0.00 -0.23 4.52 1.82 -2.03 -1.81 116.42 117.69 1ufn h ASP 12 Ca -0.19 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.45 1ufn h ASP 12 Cb 0.94 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.95 1ufn h ASP 12 CO -0.11 0.23 0.00 0.49 -1.61 0.00 0.00 179.24 178.24 1ufn n PHE 13 N -3.87 0.29 0.09 0.28 3.01 -1.26 -4.35 117.46 111.66 1ufn n PHE 13 Ca -0.02 -0.14 -0.13 0.00 1.01 0.00 0.00 57.45 58.17 1ufn n PHE 13 Cb 0.32 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.71 1ufn n PHE 13 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1ufn h SER 14 N 3.65 -0.19 0.01 4.37 0.87 -1.24 -2.76 113.55 118.25 1ufn h SER 14 Ca 0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1ufn h SER 14 Cb 0.80 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1ufn h SER 14 CO 0.00 0.11 0.00 -0.81 -0.53 0.00 0.00 176.83 175.60 1ufn n PRO 15 N -5.06 0.47 -4.84 2.24 -0.04 -1.26 -4.68 135.00 121.83 1ufn n PRO 15 Ca -0.09 0.01 -0.30 0.00 -0.04 0.00 0.00 63.50 63.07 1ufn n PRO 15 Cb 0.21 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.03 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 2.29 0.00 0.52 -4.23 -1.04 -1.18 115.64 109.97 1ufn s THR 16 Ca 0.23 -1.35 0.02 0.00 -1.18 0.00 0.00 61.69 59.41 1ufn s THR 16 Cb 0.11 -1.91 -0.01 0.00 1.34 0.00 0.00 72.50 72.03 1ufn s THR 16 CO 0.18 0.35 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.79 1ufn s LEU 17 N -1.30 2.04 -0.14 4.79 1.43 -0.02 -4.91 118.68 120.57 1ufn s LEU 17 Ca 0.12 -0.17 -0.29 0.00 -1.03 0.00 0.00 54.13 52.76 1ufn s LEU 17 Cb -0.10 -0.31 -0.04 0.00 0.03 0.00 0.00 46.19 45.77 1ufn s LEU 17 CO 0.03 0.05 1.55 -2.16 0.23 0.00 0.00 176.35 176.05 1ufn s PRO 18 N -0.32 4.05 0.25 1.29 0.04 -1.26 -1.13 135.00 137.93 1ufn s PRO 18 Ca 0.01 1.88 0.12 0.00 0.04 0.00 0.00 61.00 63.05 1ufn s PRO 18 Cb -0.03 -3.95 -0.05 0.00 0.04 0.00 0.00 34.50 30.50 1ufn s PRO 18 CO -0.00 -0.98 -0.21 0.14 0.04 0.00 0.00 177.00 175.99 1ufn s VAL 19 N 4.34 2.41 -0.21 -0.36 -7.23 -1.07 -3.63 120.40 114.66 1ufn s VAL 19 Ca 0.68 -2.28 -0.14 0.00 -1.81 0.00 0.00 61.98 58.43 1ufn s VAL 19 Cb -0.28 -2.23 0.06 0.00 0.56 0.00 0.00 36.38 34.49 1ufn s VAL 19 CO 0.26 -0.32 0.52 0.42 -0.31 0.00 0.00 175.10 175.67 1ufn s THR 20 N -2.25 -0.01 -0.24 5.32 -4.23 -0.73 -2.24 115.64 111.26 1ufn s THR 20 Ca 0.27 0.04 -0.01 0.00 -1.18 0.00 0.00 61.69 60.80 1ufn s THR 20 Cb -0.06 -0.75 0.07 0.00 1.34 0.00 0.00 72.50 73.11 1ufn s THR 20 CO 0.13 0.02 0.02 0.00 -0.54 0.00 0.00 174.62 174.25 1ufn n GLY 22 N 4.87 0.49 0.37 0.00 0.00 -1.26 -0.41 105.19 109.25 1ufn n GLY 22 Ca -0.08 0.58 0.03 0.00 0.00 0.00 0.00 46.02 46.56 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 0.00 2.84 -4.43 1.61 -0.00 -1.26 -5.00 118.16 111.92 1ufn n LYS 23 Ca 0.00 -1.80 -0.34 0.00 -0.00 0.00 0.00 58.31 56.17 1ufn n LYS 23 Cb 0.00 -1.16 -0.10 0.00 -0.00 0.00 0.00 35.03 33.77 1ufn n LYS 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ufn s ALA 24 N -0.99 3.17 -0.03 0.58 0.00 0.45 -4.96 121.76 119.98 1ufn s ALA 24 Ca 0.14 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.24 1ufn s ALA 24 Cb 0.07 -1.33 -0.00 0.00 0.00 0.00 0.00 23.12 21.86 1ufn s ALA 24 CO 0.09 0.60 -0.13 0.15 0.00 0.00 0.00 175.76 176.48 1ufn s LYS 25 N -1.10 1.30 0.00 0.00 1.02 -1.26 -0.43 119.74 119.26 1ufn s LYS 25 Ca 0.15 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 55.69 1ufn s LYS 25 Cb -0.11 -1.18 0.00 0.00 -0.52 0.00 0.00 37.83 36.02 1ufn s LYS 25 CO 0.05 0.20 0.00 0.41 -0.92 0.00 0.00 175.35 175.08 1ufn n GLY 26 N 3.13 3.71 2.94 -3.33 0.00 -0.95 -3.52 105.19 107.17 1ufn n GLY 26 Ca -0.17 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.93 -0.20 0.03 2.61 2.01 0.17 -2.59 115.64 115.74 1ufn s THR 27 Ca 0.00 0.25 -0.22 0.00 0.31 0.00 0.00 61.69 62.04 1ufn s THR 27 Cb 0.00 -0.33 -0.06 0.00 0.01 0.00 0.00 72.50 72.12 1ufn s THR 27 CO 0.00 0.10 0.64 -0.22 -0.69 0.00 0.00 174.62 174.46 1ufn s LEU 28 N 1.83 4.46 -0.38 4.42 2.96 -0.28 -1.09 118.68 130.60 1ufn s LEU 28 Ca -0.03 1.28 -0.02 0.00 -0.22 0.00 0.00 54.13 55.14 1ufn s LEU 28 Cb -0.12 -3.01 0.10 0.00 0.50 0.00 0.00 46.19 43.66 1ufn s LEU 28 CO -0.07 0.12 0.14 -0.36 -1.32 0.00 0.00 176.35 174.86 1ufn s PHE 29 N -0.40 3.55 0.52 5.38 0.40 -1.19 -0.84 117.98 125.40 1ufn s PHE 29 Ca 0.33 -2.39 0.38 0.00 -0.60 0.00 0.00 56.93 54.64 1ufn s PHE 29 Cb -0.19 -2.96 1.54 0.00 0.51 0.00 0.00 43.02 41.92 1ufn s PHE 29 CO 0.19 -0.94 1.73 1.96 0.70 0.00 0.00 175.22 178.87 1ufn h GLN 30 N 7.98 0.04 -0.29 0.44 4.20 -1.53 0.73 115.11 126.68 1ufn h GLN 30 Ca -0.13 -0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.46 1ufn h GLN 30 Cb 1.05 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 1ufn h GLN 30 CO 0.64 0.03 -0.25 1.49 -0.67 0.00 0.00 178.83 180.07 1ufn h GLU 31 N 0.05 0.69 -0.00 1.46 4.81 -1.93 0.20 114.58 119.85 1ufn h GLU 31 Ca 0.68 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1ufn h GLU 31 Cb 2.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.96 1ufn h GLU 31 CO -0.07 0.95 -0.21 1.63 -0.73 0.00 0.00 179.01 180.58 1ufn n LYS 32 N -4.30 0.66 -0.12 1.92 5.02 0.20 -3.95 118.16 117.60 1ufn n LYS 32 Ca -0.04 -0.32 -0.24 0.00 -2.02 0.00 0.00 58.31 55.70 1ufn n LYS 32 Cb 0.44 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.85 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 -0.89 2.40 -0.17 -0.35 7.94 0.17 -4.25 117.00 121.84 1ufn n LEU 33 Ca 0.12 0.16 0.19 0.00 -1.11 0.00 0.00 56.01 55.37 1ufn n LEU 33 Cb 0.32 -0.90 0.56 0.00 0.53 0.00 0.00 43.42 43.93 1ufn n LEU 33 CO 0.26 0.71 1.22 0.07 -1.11 0.00 0.00 177.39 178.54 1ufn h LYS 34 N -0.52 0.30 -0.37 1.96 2.10 -0.74 -0.53 116.57 118.78 1ufn h LYS 34 Ca -0.60 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.00 1ufn h LYS 34 Cb 1.73 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 32.98 1ufn h LYS 34 CO -0.23 0.20 0.11 1.96 -2.00 0.00 0.00 179.45 179.49 1ufn h GLN 35 N 0.31 0.58 0.00 0.07 4.20 -1.76 -3.44 115.11 115.07 1ufn h GLN 35 Ca 0.40 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1ufn h GLN 35 Cb 1.09 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.79 1ufn h GLN 35 CO -0.11 0.60 0.00 0.41 -0.67 0.00 0.00 178.83 179.06 1ufn n GLY 36 N -0.63 0.69 0.48 3.46 0.00 -0.21 -5.00 105.19 103.98 1ufn n GLY 36 Ca -0.01 0.62 0.33 0.00 0.00 0.00 0.00 46.02 46.96 1ufn n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufn h ALA 37 N 0.00 2.71 -0.55 4.61 0.00 -1.86 0.83 119.26 125.00 1ufn h ALA 37 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1ufn h ALA 37 Cb 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1ufn h ALA 37 CO 0.00 -1.21 0.21 1.03 0.00 0.00 0.00 179.25 179.28 1ufn h SER 38 N 0.17 0.73 -3.93 0.00 0.87 -1.93 -2.82 113.55 106.65 1ufn h SER 38 Ca 0.70 -0.09 -0.53 0.00 -1.23 0.00 0.00 61.79 60.63 1ufn h SER 38 Cb 2.23 -0.19 0.09 0.00 -0.44 0.00 0.00 62.40 64.10 1ufn h SER 38 CO -0.27 0.67 0.73 -0.54 -0.53 0.00 0.00 176.83 176.89 1ufn s LYS 39 N -5.36 4.17 -0.36 2.24 -0.14 0.29 -4.54 119.74 116.04 1ufn s LYS 39 Ca -0.10 2.45 -0.27 0.00 -1.36 0.00 0.00 55.97 56.69 1ufn s LYS 39 Cb 0.16 -2.99 -0.04 0.00 -1.68 0.00 0.00 37.83 33.28 1ufn s LYS 39 CO 0.79 -0.44 2.14 0.15 -0.76 0.00 0.00 175.35 177.23 1ufn s LYS 40 N -2.02 2.85 -0.02 1.68 -0.14 -1.26 -4.41 119.74 116.42 1ufn s LYS 40 Ca 0.52 1.58 0.02 0.00 -1.36 0.00 0.00 55.97 56.73 1ufn s LYS 40 Cb -0.44 -4.39 -0.03 0.00 -1.68 0.00 0.00 37.83 31.29 1ufn s LYS 40 CO 0.60 -2.43 0.01 0.00 -0.76 0.00 0.00 175.35 172.77 1ufn s ILE 42 N -2.06 4.27 -0.24 0.00 1.01 -0.86 -3.20 121.20 120.13 1ufn s ILE 42 Ca -0.01 1.00 -0.15 0.00 0.00 0.00 0.00 60.65 61.49 1ufn s ILE 42 Cb 0.01 -4.57 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 1ufn s ILE 42 CO 0.08 -1.00 0.38 -1.58 0.00 0.00 0.00 174.94 172.82 1ufn s GLN 43 N 4.28 4.09 0.98 2.79 0.74 -0.25 0.13 119.66 132.42 1ufn s GLN 43 Ca 0.43 0.10 -0.16 0.00 0.05 0.00 0.00 55.36 55.79 1ufn s GLN 43 Cb -0.08 -3.60 0.19 0.00 1.10 0.00 0.00 33.01 30.62 1ufn s GLN 43 CO 0.29 -0.16 1.23 0.54 -0.55 0.00 0.00 175.29 176.64 1ufn s ASN 44 N 1.35 2.90 0.59 6.67 2.20 -0.87 -0.66 114.94 127.12 1ufn s ASN 44 Ca 0.17 0.51 0.30 0.00 -0.94 0.00 0.00 52.86 52.90 1ufn s ASN 44 Cb -0.15 -0.74 1.83 0.00 -2.00 0.00 0.00 41.25 40.19 1ufn s ASN 44 CO 0.09 -2.89 2.25 -0.33 -2.94 0.00 0.00 177.10 173.28 1ufn h GLU 45 N -1.74 0.00 0.00 3.55 5.08 -1.90 0.11 114.58 119.68 1ufn h GLU 45 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1ufn h GLU 45 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1ufn h GLU 45 CO 0.44 0.01 -0.01 0.00 -1.00 0.00 0.00 179.01 178.45 1ufn n ALA 46 N -2.31 2.33 0.00 3.43 0.00 -1.26 -4.91 120.51 117.79 1ufn n ALA 46 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1ufn n ALA 46 Cb 0.09 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 1.41 3.42 3.67 0.00 0.00 0.38 -5.03 105.19 109.04 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 -1.01 6.72 0.58 1.61 1.01 -1.26 -4.58 116.67 119.74 1ufn s ASP 48 Ca 0.00 2.20 -0.17 0.00 0.71 0.00 0.00 52.55 55.29 1ufn s ASP 48 Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 1ufn s ASP 48 CO 0.00 -0.86 1.09 0.26 0.21 0.00 0.00 175.17 175.87 1ufn s TRP 49 N 3.43 2.80 0.00 4.23 0.52 -1.26 -2.06 118.94 126.60 1ufn s TRP 49 Ca 0.70 1.54 -0.00 0.00 0.02 0.00 0.00 56.10 58.35 1ufn s TRP 49 Cb -0.33 -3.14 -0.00 0.00 -1.15 0.00 0.00 33.47 28.85 1ufn s TRP 49 CO 0.28 -1.36 0.01 -0.51 0.02 0.00 0.00 176.95 175.38 1ufn s LEU 50 N -4.28 2.00 0.42 2.99 1.43 0.35 -4.92 118.68 116.67 1ufn s LEU 50 Ca 0.67 -0.08 -0.25 0.00 -1.03 0.00 0.00 54.13 53.45 1ufn s LEU 50 Cb -0.19 0.06 -0.08 0.00 0.03 0.00 0.00 46.19 46.01 1ufn s LEU 50 CO 0.33 -0.07 1.18 0.42 0.23 0.00 0.00 176.35 178.45 1ufn s THR 51 N -0.29 3.08 0.35 5.49 -4.23 -1.26 -2.03 115.64 116.75 1ufn s THR 51 Ca -0.03 0.88 0.29 0.00 -1.18 0.00 0.00 61.69 61.65 1ufn s THR 51 Cb -0.02 -3.48 0.44 0.00 1.34 0.00 0.00 72.50 70.78 1ufn s THR 51 CO -0.00 0.06 1.10 0.52 -0.54 0.00 0.00 174.62 175.76 1ufn n VAL 52 N -0.08 -0.09 -0.09 2.29 0.31 -1.06 0.12 118.33 119.72 1ufn n VAL 52 Ca 0.05 1.17 -0.17 0.00 -0.01 0.00 0.00 64.34 65.38 1ufn n VAL 52 Cb 0.47 -1.93 -0.11 0.00 -0.91 0.00 0.00 33.84 31.36 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 0.00 -0.89 5.55 3.64 -1.88 -3.34 116.57 119.65 1ufn h LYS 53 Ca 0.65 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 60.24 1ufn h LYS 53 Cb 2.35 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 34.05 1ufn h LYS 53 CO -0.17 0.88 0.40 0.93 -2.27 0.00 0.00 179.45 179.21 1ufn h GLU 54 N -1.00 0.42 -0.73 1.90 5.08 0.53 0.14 114.58 120.93 1ufn h GLU 54 Ca -0.18 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1ufn h GLU 54 Cb 1.07 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.16 1ufn h GLU 54 CO -0.11 0.28 0.39 0.35 -1.00 0.00 0.00 179.01 178.92 1ufn h PHE 55 N 0.43 0.71 0.04 4.33 3.57 -1.17 -1.98 116.94 122.87 1ufn h PHE 55 Ca 0.54 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 62.07 1ufn h PHE 55 Cb 1.00 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1ufn h PHE 55 CO -0.13 0.30 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.16 1ufn h LEU 56 N 0.69 -0.05 -1.16 0.59 3.38 -0.86 -2.76 115.31 115.14 1ufn h LEU 56 Ca 0.34 -0.12 0.19 0.00 0.09 0.00 0.00 57.88 58.38 1ufn h LEU 56 Cb 0.30 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.97 1ufn h LEU 56 CO -0.23 0.09 0.61 0.78 0.09 0.00 0.00 178.44 179.78 1ufn h ASN 57 N -0.19 0.68 -0.86 -0.43 2.35 -0.93 0.19 115.58 116.38 1ufn h ASN 57 Ca -0.01 0.08 0.12 0.00 -0.55 0.00 0.00 56.30 55.94 1ufn h ASN 57 Cb 0.17 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 38.43 1ufn h ASN 57 CO 0.01 0.26 0.56 -0.33 -1.65 0.00 0.00 177.43 176.27 1ufn h GLU 58 N 0.67 0.70 0.11 0.81 4.39 -1.07 -2.43 114.58 117.77 1ufn h GLU 58 Ca 0.54 -0.04 -0.33 0.00 0.34 0.00 0.00 59.36 59.87 1ufn h GLU 58 Cb 0.96 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 1ufn h GLU 58 CO -0.31 0.46 -1.72 0.78 -1.16 0.00 0.00 179.01 177.06 1ufn h GLY 59 N 0.72 0.28 0.00 -3.84 0.00 -0.74 -3.44 103.07 96.05 1ufn h GLY 59 Ca 0.42 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1ufn h GLY 59 CO -0.18 0.62 0.00 0.61 0.00 0.00 0.00 176.54 177.59 1ufn n GLY 60 N 1.77 1.91 0.24 4.60 0.00 -0.03 -4.52 105.19 109.16 1ufn n GLY 60 Ca -0.22 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.27 1.93 -0.27 1.61 1.74 -1.06 -4.76 116.66 115.59 1ufn n ARG 61 Ca 0.00 -2.43 0.08 0.00 -0.77 0.00 0.00 57.85 54.72 1ufn n ARG 61 Cb 0.00 -1.47 0.22 0.00 -1.02 0.00 0.00 32.46 30.18 1ufn n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ufn h ALA 62 N 0.43 1.06 -0.64 7.54 0.00 -1.87 0.35 119.26 126.12 1ufn h ALA 62 Ca 0.00 0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.28 1ufn h ALA 62 Cb 0.99 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1ufn h ALA 62 CO 0.04 -0.37 0.87 0.00 0.00 0.00 0.00 179.25 179.80 1ufn h THR 63 N 0.26 0.12 -3.97 0.00 1.03 -1.95 -3.40 112.91 105.00 1ufn h THR 63 Ca 0.46 0.00 -0.51 0.00 -0.01 0.00 0.00 66.41 66.35 1ufn h THR 63 Cb 0.83 0.27 0.07 0.00 -1.07 0.00 0.00 68.15 68.24 1ufn h THR 63 CO -0.55 0.00 0.52 -0.55 -0.01 0.00 0.00 175.52 174.93 1ufn s SER 64 N -4.09 6.28 -0.22 0.00 0.15 0.12 -4.97 113.70 110.97 1ufn s SER 64 Ca -0.03 2.41 -0.12 0.00 0.70 0.00 0.00 55.95 58.90 1ufn s SER 64 Cb 0.13 -2.61 -0.18 0.00 -1.71 0.00 0.00 66.02 61.64 1ufn s SER 64 CO 0.43 -0.85 -0.00 1.17 1.20 0.00 0.00 173.24 175.19 1ufn n LYS 65 N -0.19 0.63 -2.96 5.44 3.00 -1.26 -4.85 118.16 117.96 1ufn n LYS 65 Ca 0.06 0.34 -0.42 0.00 -0.00 0.00 0.00 58.31 58.29 1ufn n LYS 65 Cb 0.46 -1.62 -0.05 0.00 0.00 0.00 0.00 35.03 33.82 1ufn n LYS 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1ufn s ASP 66 N -7.03 6.56 0.15 3.14 1.01 -1.26 -4.91 116.67 114.33 1ufn s ASP 66 Ca -0.32 0.38 0.09 0.00 0.71 0.00 0.00 52.55 53.41 1ufn s ASP 66 Cb 0.09 -2.39 -0.14 0.00 1.01 0.00 0.00 42.92 41.49 1ufn s ASP 66 CO 0.60 -0.71 1.32 4.11 0.21 0.00 0.00 175.17 180.70 1ufn h TRP 67 N 8.43 0.00 0.00 4.23 5.08 -1.92 -3.10 115.95 128.67 1ufn h TRP 67 Ca -0.25 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.72 1ufn h TRP 67 Cb 1.09 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.25 1ufn h TRP 67 CO 0.79 0.90 -0.01 0.87 -1.28 0.00 0.00 178.44 179.71 1ufn h LYS 68 N 0.00 0.00 0.07 0.12 1.57 -1.91 0.06 116.57 116.49 1ufn h LYS 68 Ca -0.01 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.42 1ufn h LYS 68 Cb 1.68 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.95 1ufn h LYS 68 CO 0.12 0.01 -1.99 0.41 -0.57 0.00 0.00 179.45 177.42 1ufn n GLY 69 N -0.58 -0.56 0.21 3.86 0.00 -1.20 -2.77 105.19 104.15 1ufn n GLY 69 Ca -0.01 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 1ufn n GLY 69 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1ufn h VAL 70 N -0.19 1.31 -3.31 1.61 -1.51 -1.45 -3.43 116.25 109.28 1ufn h VAL 70 Ca -0.46 -1.55 -0.55 0.00 -1.23 0.00 0.00 66.70 62.91 1ufn h VAL 70 Cb 1.86 1.68 -0.03 0.00 -2.13 0.00 0.00 31.29 32.67 1ufn h VAL 70 CO -0.02 0.49 0.50 -0.63 -1.23 0.00 0.00 177.57 176.68 1ufn s ILE 71 N -4.23 4.81 -0.10 7.19 1.01 -0.01 -4.70 121.20 125.18 1ufn s ILE 71 Ca -0.12 2.04 0.02 0.00 0.00 0.00 0.00 60.65 62.59 1ufn s ILE 71 Cb 0.08 -4.31 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 1ufn s ILE 71 CO 0.84 0.06 -0.15 -0.13 0.00 0.00 0.00 174.94 175.55 1ufn s ARG 72 N 1.68 3.01 -0.29 2.79 0.52 -0.73 -3.21 118.95 122.73 1ufn s ARG 72 Ca 0.49 -0.73 -0.03 0.00 -0.52 0.00 0.00 55.73 54.95 1ufn s ARG 72 Cb -0.19 -2.48 0.04 0.00 0.52 0.00 0.00 34.95 32.83 1ufn s ARG 72 CO 0.21 0.35 0.01 0.00 0.02 0.00 0.00 175.30 175.89 1ufn n ASN 74 N 4.68 -5.01 0.00 0.00 4.13 -1.24 -1.63 115.26 116.19 1ufn n ASN 74 Ca -0.14 -0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.01 1ufn n ASN 74 Cb 0.45 -4.00 0.00 0.00 -1.54 0.00 0.00 39.78 34.68 1ufn n ASN 74 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ufn n GLY 75 N -1.17 2.04 3.33 7.41 0.00 -1.26 -5.01 105.19 110.53 1ufn n GLY 75 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.32 3.32 0.43 1.61 8.01 -0.65 -5.05 118.70 126.05 1ufn s GLU 76 Ca 0.00 -0.70 -0.26 0.00 0.01 0.00 0.00 54.97 54.02 1ufn s GLU 76 Cb 0.00 -2.67 -0.09 0.00 -4.31 0.00 0.00 34.13 27.05 1ufn s GLU 76 CO 0.00 0.09 1.43 0.25 0.01 0.00 0.00 175.26 177.04 1ufn n THR 77 N 3.87 2.53 -0.30 3.63 -2.24 -1.26 0.09 114.28 120.60 1ufn n THR 77 Ca -0.18 -0.50 0.08 0.00 -2.27 0.00 0.00 64.05 61.17 1ufn n THR 77 Cb 0.52 -1.85 0.19 0.00 -2.10 0.00 0.00 70.33 67.09 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 2.46 -0.50 -0.86 3.22 3.38 -1.48 0.52 115.31 122.05 1ufn h LEU 78 Ca -0.50 0.24 0.15 0.00 0.09 0.00 0.00 57.88 57.86 1ufn h LEU 78 Cb 1.26 0.44 -0.10 0.00 0.09 0.00 0.00 40.66 42.36 1ufn h LEU 78 CO 0.62 -0.26 0.44 -0.09 0.09 0.00 0.00 178.44 179.24 1ufn h ARG 79 N 0.05 0.60 0.11 1.13 1.12 -1.88 0.85 114.38 116.37 1ufn h ARG 79 Ca 0.47 -0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 59.30 1ufn h ARG 79 Cb 0.86 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.68 1ufn h ARG 79 CO -0.80 0.40 -0.05 1.25 -3.11 0.00 0.00 179.97 177.65 1ufn h HIS 80 N 0.62 -0.14 -0.75 2.20 2.76 -0.28 -1.97 115.15 117.58 1ufn h HIS 80 Ca 0.47 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.65 1ufn h HIS 80 Cb 0.68 0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.65 1ufn h HIS 80 CO -0.09 -0.05 0.49 -0.07 -1.30 0.00 0.00 177.93 176.92 1ufn h LEU 81 N -0.20 0.85 -0.69 0.26 3.38 -0.84 -2.47 115.31 115.61 1ufn h LEU 81 Ca -0.02 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 57.99 1ufn h LEU 81 Cb 0.16 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 1ufn h LEU 81 CO 0.03 0.61 0.39 -0.08 0.09 0.00 0.00 178.44 179.47 1ufn h GLU 82 N 1.00 0.69 -0.69 1.13 4.81 -0.66 -1.00 114.58 119.86 1ufn h GLU 82 Ca 0.28 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.54 1ufn h GLU 82 Cb -0.10 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.08 1ufn h GLU 82 CO -0.07 0.46 0.45 1.96 -0.73 0.00 0.00 179.01 181.09 1ufn h GLN 83 N 0.71 0.65 -0.42 1.92 4.20 -0.89 0.20 115.11 121.49 1ufn h GLN 83 Ca 0.31 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1ufn h GLN 83 Cb 0.19 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1ufn h GLN 83 CO -0.18 0.43 0.00 1.63 -0.67 0.00 0.00 178.83 180.04 1ufn n LYS 84 N -4.48 1.51 -2.83 1.46 5.02 -0.49 -4.86 118.16 113.48 1ufn n LYS 84 Ca 0.10 -0.58 -0.21 0.00 -2.02 0.00 0.00 58.31 55.60 1ufn n LYS 84 Cb 0.26 -1.31 0.02 0.00 -0.02 0.00 0.00 35.03 33.98 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 0.53 -0.45 0.07 0.72 0.00 0.71 -4.88 105.19 101.88 1ufn n GLY 85 Ca 0.05 0.05 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.59 1.07 -4.08 0.99 4.77 -0.53 -4.90 117.00 110.72 1ufn n LEU 86 Ca -0.14 -0.03 -0.33 0.00 -0.03 0.00 0.00 56.01 55.49 1ufn n LEU 86 Cb 0.63 -0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.57 1ufn n LEU 86 CO 0.41 0.47 -0.39 -0.22 -1.33 0.00 0.00 177.39 176.33 1ufn s LEU 87 N -5.28 3.96 0.37 2.23 0.20 -1.18 -4.90 118.68 114.09 1ufn s LEU 87 Ca -0.12 -1.60 0.11 0.00 0.69 0.00 0.00 54.13 53.22 1ufn s LEU 87 Cb 0.04 -1.62 0.88 0.00 -0.43 0.00 0.00 46.19 45.07 1ufn s LEU 87 CO 0.46 -0.27 1.87 2.19 -0.29 0.00 0.00 176.35 180.31 1ufn h PHE 88 N 7.79 0.74 -6.32 5.38 -0.00 -1.90 -3.33 116.94 119.30 1ufn h PHE 88 Ca -0.15 0.02 -0.47 0.00 -0.00 0.00 0.00 57.97 57.36 1ufn h PHE 88 Cb 1.04 -0.23 -0.04 0.00 -0.00 0.00 0.00 35.95 36.72 1ufn h PHE 88 CO 0.59 0.26 -0.80 0.45 -0.00 0.00 0.00 178.31 178.81 1ufn n SER 89 N -4.55 -3.09 -0.34 -0.68 2.88 -1.26 -4.63 113.62 101.95 1ufn n SER 89 Ca 0.17 -0.85 0.00 0.00 -1.33 0.00 0.00 58.87 56.87 1ufn n SER 89 Cb 0.50 -3.69 0.00 0.00 -0.75 0.00 0.00 64.21 60.27 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 -1.67 -0.84 3.66 0.46 0.00 -1.26 -4.87 105.19 100.67 1ufn n GLY 90 Ca -0.09 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 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 0.00 0.06 -0.27 1.61 0.04 -1.26 -5.05 135.00 130.13 1ufn s PRO 91 Ca 0.00 0.39 0.02 0.00 0.04 0.00 0.00 61.00 61.46 1ufn s PRO 91 Cb 0.00 -1.70 0.07 0.00 0.04 0.00 0.00 34.50 32.91 1ufn s PRO 91 CO 0.00 -2.95 -0.05 -1.12 0.04 0.00 0.00 177.00 172.92 1ufn s SER 92 N -3.52 4.35 -0.04 6.66 0.01 -1.26 -4.99 113.70 114.91 1ufn s SER 92 Ca 0.66 -1.53 -0.24 0.00 1.31 0.00 0.00 55.95 56.14 1ufn s SER 92 Cb -0.17 -1.44 -0.22 0.00 0.21 0.00 0.00 66.02 64.40 1ufn s SER 92 CO 0.57 -0.26 1.10 0.28 0.41 0.00 0.00 173.24 175.34 1ufn h SER 93 N 7.80 0.18 0.00 2.44 0.02 -1.99 -3.56 113.55 118.43 1ufn h SER 93 Ca -0.15 -0.70 0.00 0.00 -0.84 0.00 0.00 61.79 60.11 1ufn h SER 93 Cb 1.04 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1ufn h SER 93 CO 0.46 0.85 0.00 0.61 -1.14 0.00 0.00 176.83 177.61