#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 -0.21 0.44 1.61 0.01 -1.26 -5.14 113.70 109.15 1ufn s SER 2 Ca 0.00 0.43 -0.25 0.00 1.31 0.00 0.00 55.95 57.43 1ufn s SER 2 Cb 0.00 0.36 -0.08 0.00 0.21 0.00 0.00 66.02 66.51 1ufn s SER 2 CO 0.00 -0.12 1.39 -0.94 0.41 0.00 0.00 173.24 173.98 1ufn s SER 3 N 0.77 5.99 0.22 2.44 1.04 -1.26 -4.91 113.70 117.98 1ufn s SER 3 Ca -0.05 2.84 0.00 0.00 0.48 0.00 0.00 55.95 59.22 1ufn s SER 3 Cb -0.07 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.40 1ufn s SER 3 CO -0.04 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.69 1ufn n GLY 4 N 0.60 -0.33 2.98 7.32 0.00 -1.26 -5.13 105.19 109.38 1ufn n GLY 4 Ca 0.05 0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 1ufn n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ufn s SER 5 N -4.66 0.92 -0.14 1.61 0.01 -1.26 -5.14 113.70 105.04 1ufn s SER 5 Ca 0.00 -0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.14 1ufn s SER 5 Cb 0.00 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.06 1ufn s SER 5 CO 0.00 0.07 -0.19 -0.44 0.41 0.00 0.00 173.24 173.08 1ufn s SER 6 N 0.03 3.34 -0.34 2.44 0.01 -1.26 -4.98 113.70 112.94 1ufn s SER 6 Ca -0.00 -0.55 0.12 0.00 1.31 0.00 0.00 55.95 56.84 1ufn s SER 6 Cb -0.05 -1.49 0.40 0.00 0.21 0.00 0.00 66.02 65.08 1ufn s SER 6 CO -0.00 0.09 1.51 0.61 0.41 0.00 0.00 173.24 175.85 1ufn n GLY 7 N 4.02 1.90 3.87 3.44 0.00 -1.26 -5.14 105.19 112.02 1ufn n GLY 7 Ca -0.20 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.12 6.38 0.01 1.61 -0.87 -1.26 -5.08 114.94 114.61 1ufn s ASN 8 Ca 0.11 1.29 0.05 0.00 -1.57 0.00 0.00 52.86 52.73 1ufn s ASN 8 Cb 0.43 -2.40 -0.03 0.00 -0.02 0.00 0.00 41.25 39.23 1ufn s ASN 8 CO -0.12 -0.65 -0.12 -1.81 -2.57 0.00 0.00 177.10 171.84 1ufn s ASP 9 N -3.71 4.26 -1.46 -1.22 1.01 -1.26 -4.62 116.67 109.68 1ufn s ASP 9 Ca 0.53 -0.24 -0.11 0.00 0.71 0.00 0.00 52.55 53.44 1ufn s ASP 9 Cb -0.10 -0.89 0.05 0.00 1.01 0.00 0.00 42.92 42.99 1ufn s ASP 9 CO 0.42 0.28 1.06 0.00 0.21 0.00 0.00 175.17 177.14 1ufn n ALA 10 N 1.68 -1.33 -0.23 5.23 0.00 -1.26 -4.88 120.51 119.71 1ufn n ALA 10 Ca -0.16 0.26 -0.07 0.00 0.00 0.00 0.00 53.44 53.47 1ufn n ALA 10 Cb 0.52 -4.79 0.04 0.00 0.00 0.00 0.00 19.45 15.22 1ufn n ALA 10 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1ufn h VAL 11 N -2.32 1.25 -0.88 0.00 3.04 -2.01 -2.54 116.25 112.79 1ufn h VAL 11 Ca -0.58 -0.88 0.25 0.00 -1.01 0.00 0.00 66.70 64.49 1ufn h VAL 11 Cb 1.37 0.58 -0.04 0.00 -2.01 0.00 0.00 31.29 31.20 1ufn h VAL 11 CO 0.62 0.34 0.98 -2.24 -1.01 0.00 0.00 177.57 176.26 1ufn h ASP 12 N 0.95 0.00 -1.54 3.17 3.04 -1.98 -3.29 116.42 116.79 1ufn h ASP 12 Ca 0.21 0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 53.88 1ufn h ASP 12 Cb 0.31 0.00 -0.27 0.00 -1.04 0.00 0.00 39.33 38.34 1ufn h ASP 12 CO -0.00 0.00 -0.47 0.12 -2.04 0.00 0.00 179.24 176.84 1ufn s PHE 13 N -4.51 -1.20 0.50 4.15 5.36 -0.96 -5.16 117.98 116.16 1ufn s PHE 13 Ca -0.03 0.68 -0.12 0.00 -0.96 0.00 0.00 56.93 56.50 1ufn s PHE 13 Cb 0.15 0.03 -0.06 0.00 -0.34 0.00 0.00 43.02 42.80 1ufn s PHE 13 CO 0.51 -0.95 0.90 -1.12 -1.46 0.00 0.00 175.22 173.10 1ufn s SER 14 N 2.63 6.45 0.00 6.13 0.01 -1.24 -4.89 113.70 122.78 1ufn s SER 14 Ca 0.11 1.31 0.10 0.00 1.31 0.00 0.00 55.95 58.78 1ufn s SER 14 Cb -0.13 -2.40 0.61 0.00 0.21 0.00 0.00 66.02 64.31 1ufn s SER 14 CO -0.26 -0.60 1.05 -0.81 0.41 0.00 0.00 173.24 173.03 1ufn n PRO 15 N -1.87 0.49 -5.07 12.44 -0.04 -1.26 -4.67 135.00 135.01 1ufn n PRO 15 Ca 0.04 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.19 1ufn n PRO 15 Cb 0.54 -1.33 -0.15 0.00 -0.04 0.00 0.00 33.50 32.52 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 2.27 -0.01 0.52 -4.23 -1.26 -1.60 115.64 109.33 1ufn s THR 16 Ca 0.15 -1.17 0.03 0.00 -1.18 0.00 0.00 61.69 59.52 1ufn s THR 16 Cb 0.07 -1.85 -0.01 0.00 1.34 0.00 0.00 72.50 72.06 1ufn s THR 16 CO 0.12 0.49 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.84 1ufn s LEU 17 N -0.91 2.00 -0.23 4.79 1.43 -0.28 -4.96 118.68 120.52 1ufn s LEU 17 Ca 0.11 -0.16 -0.29 0.00 -1.03 0.00 0.00 54.13 52.76 1ufn s LEU 17 Cb -0.10 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.63 1ufn s LEU 17 CO 0.01 0.11 1.62 -2.16 0.23 0.00 0.00 176.35 176.15 1ufn s PRO 18 N -0.17 3.78 0.16 1.29 0.04 -1.26 -0.96 135.00 137.87 1ufn s PRO 18 Ca 0.03 1.64 0.09 0.00 0.04 0.00 0.00 61.00 62.80 1ufn s PRO 18 Cb -0.04 -4.04 -0.04 0.00 0.04 0.00 0.00 34.50 30.42 1ufn s PRO 18 CO -0.00 -1.31 -0.16 0.14 0.04 0.00 0.00 177.00 175.71 1ufn s VAL 19 N 5.25 2.89 -0.12 -0.36 -7.23 -1.19 -4.22 120.40 115.41 1ufn s VAL 19 Ca 0.71 -1.67 -0.06 0.00 -1.81 0.00 0.00 61.98 59.15 1ufn s VAL 19 Cb -0.25 -2.38 0.05 0.00 0.56 0.00 0.00 36.38 34.37 1ufn s VAL 19 CO 0.29 -0.03 0.29 0.42 -0.31 0.00 0.00 175.10 175.77 1ufn s THR 20 N -1.47 -0.05 -0.26 5.32 -4.23 -0.31 -2.21 115.64 112.43 1ufn s THR 20 Ca 0.21 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 1ufn s THR 20 Cb -0.09 -0.45 0.07 0.00 1.34 0.00 0.00 72.50 73.37 1ufn s THR 20 CO 0.12 0.06 0.00 0.00 -0.54 0.00 0.00 174.62 174.26 1ufn n GLY 22 N 4.72 1.29 1.48 0.00 0.00 -1.26 -0.22 105.19 111.20 1ufn n GLY 22 Ca -0.08 0.44 0.08 0.00 0.00 0.00 0.00 46.02 46.47 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 3.98 -4.27 1.61 2.85 -1.26 -4.95 118.16 116.11 1ufn n LYS 23 Ca 0.00 -2.95 -0.29 0.00 -1.05 0.00 0.00 58.31 54.02 1ufn n LYS 23 Cb 0.00 -2.01 -0.11 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 -2.44 2.81 -0.07 0.58 0.00 0.69 -4.84 121.76 118.49 1ufn s ALA 24 Ca 0.49 -1.33 -0.06 0.00 0.00 0.00 0.00 51.96 51.06 1ufn s ALA 24 Cb 0.36 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1ufn s ALA 24 CO 0.16 0.60 0.17 0.15 0.00 0.00 0.00 175.76 176.84 1ufn s LYS 25 N -2.25 0.19 0.00 0.00 1.02 -1.26 -1.37 119.74 116.07 1ufn s LYS 25 Ca 0.20 0.26 0.00 0.00 0.02 0.00 0.00 55.97 56.45 1ufn s LYS 25 Cb -0.11 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.27 1ufn s LYS 25 CO 0.12 -0.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.92 1ufn n GLY 26 N 3.15 3.08 3.28 -3.33 0.00 -0.94 -3.02 105.19 107.41 1ufn n GLY 26 Ca -0.14 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.31 -0.02 -0.13 2.61 2.01 -0.58 -3.16 115.64 116.05 1ufn s THR 27 Ca 0.00 0.07 -0.14 0.00 0.31 0.00 0.00 61.69 61.93 1ufn s THR 27 Cb 0.00 -0.61 -0.05 0.00 0.01 0.00 0.00 72.50 71.86 1ufn s THR 27 CO 0.00 0.03 0.33 -0.22 -0.69 0.00 0.00 174.62 174.07 1ufn s LEU 28 N 1.12 4.28 -0.42 4.42 2.96 -0.13 -1.03 118.68 129.87 1ufn s LEU 28 Ca -0.07 0.60 -0.06 0.00 -0.22 0.00 0.00 54.13 54.38 1ufn s LEU 28 Cb -0.07 -2.43 0.10 0.00 0.50 0.00 0.00 46.19 44.29 1ufn s LEU 28 CO -0.10 0.12 0.24 -0.36 -1.32 0.00 0.00 176.35 174.94 1ufn s PHE 29 N 0.25 3.45 0.30 5.38 0.40 -1.13 -1.12 117.98 125.51 1ufn s PHE 29 Ca 0.19 -1.99 0.01 0.00 -0.60 0.00 0.00 56.93 54.54 1ufn s PHE 29 Cb -0.14 -3.15 0.72 0.00 0.51 0.00 0.00 43.02 40.96 1ufn s PHE 29 CO 0.06 -0.93 1.60 1.96 0.70 0.00 0.00 175.22 178.61 1ufn h GLN 30 N 8.25 0.07 -0.88 0.44 4.20 -1.66 0.82 115.11 126.35 1ufn h GLN 30 Ca -0.19 -0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.62 1ufn h GLN 30 Cb 1.07 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.75 1ufn h GLN 30 CO 0.75 0.05 0.52 1.05 -0.67 0.00 0.00 178.83 180.53 1ufn h GLU 31 N 0.08 0.83 -0.00 1.46 4.11 -1.94 0.40 114.58 119.52 1ufn h GLU 31 Ca 0.57 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.95 1ufn h GLU 31 Cb 1.16 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1ufn h GLU 31 CO -0.80 0.55 -0.17 1.63 0.07 0.00 0.00 179.01 180.29 1ufn n LYS 32 N -4.70 0.62 -0.07 1.06 5.02 0.25 -3.67 118.16 116.67 1ufn n LYS 32 Ca 0.15 -0.26 -0.10 0.00 -2.02 0.00 0.00 58.31 56.08 1ufn n LYS 32 Cb 0.30 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.66 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 -0.96 0.58 -0.07 -0.35 7.94 0.84 -4.39 117.00 120.59 1ufn n LEU 33 Ca 0.13 0.16 -0.07 0.00 -1.11 0.00 0.00 56.01 55.12 1ufn n LEU 33 Cb 0.30 0.25 -0.01 0.00 0.53 0.00 0.00 43.42 44.49 1ufn n LEU 33 CO 0.25 0.49 0.77 0.11 -1.11 0.00 0.00 177.39 177.91 1ufn h LYS 34 N 0.00 -0.08 -0.86 1.96 1.57 -0.43 -2.16 116.57 116.56 1ufn h LYS 34 Ca -0.45 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 58.51 1ufn h LYS 34 Cb 2.13 0.02 -0.16 0.00 0.08 0.00 0.00 32.23 34.30 1ufn h LYS 34 CO 0.04 -0.05 -0.25 1.96 -0.57 0.00 0.00 179.45 180.58 1ufn h GLN 35 N -0.08 -0.01 0.00 3.15 4.20 -1.77 -3.45 115.11 117.14 1ufn h GLN 35 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1ufn h GLN 35 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1ufn h GLN 35 CO -0.33 -0.01 0.00 0.41 -0.67 0.00 0.00 178.83 178.23 1ufn n GLY 36 N -1.54 1.34 0.40 3.46 0.00 -0.81 -4.98 105.19 103.06 1ufn n GLY 36 Ca 0.12 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.24 2.54 0.16 4.61 0.00 -1.26 -2.89 120.51 123.44 1ufn n ALA 37 Ca 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.37 1ufn n ALA 37 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 1ufn n ALA 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ufn n SER 38 N -0.11 0.29 -4.87 0.00 2.88 -1.26 -3.92 113.62 106.63 1ufn n SER 38 Ca 0.01 -0.64 -0.33 0.00 -1.33 0.00 0.00 58.87 56.58 1ufn n SER 38 Cb 0.21 0.89 -0.05 0.00 -0.75 0.00 0.00 64.21 64.50 1ufn n SER 38 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1ufn s LYS 39 N -1.22 3.83 -0.49 -1.46 -0.14 -1.14 -4.73 119.74 114.40 1ufn s LYS 39 Ca 0.02 0.31 -0.27 0.00 -1.36 0.00 0.00 55.97 54.67 1ufn s LYS 39 Cb 0.03 -2.73 -0.04 0.00 -1.68 0.00 0.00 37.83 33.41 1ufn s LYS 39 CO 0.13 0.36 2.05 0.15 -0.76 0.00 0.00 175.35 177.28 1ufn s LYS 40 N -2.59 2.64 -0.01 1.68 -0.14 -1.26 -4.16 119.74 115.90 1ufn s LYS 40 Ca 0.45 1.13 0.02 0.00 -1.36 0.00 0.00 55.97 56.21 1ufn s LYS 40 Cb -0.12 -4.41 -0.03 0.00 -1.68 0.00 0.00 37.83 31.59 1ufn s LYS 40 CO 0.21 -2.68 0.04 0.00 -0.76 0.00 0.00 175.35 172.15 1ufn s ILE 42 N -2.12 4.46 -0.41 0.00 1.01 -0.86 -2.84 121.20 120.43 1ufn s ILE 42 Ca -0.01 -0.13 -0.21 0.00 0.00 0.00 0.00 60.65 60.30 1ufn s ILE 42 Cb 0.01 -4.55 0.02 0.00 0.01 0.00 0.00 42.46 37.94 1ufn s ILE 42 CO 0.09 -1.19 0.67 -1.58 0.00 0.00 0.00 174.94 172.92 1ufn s GLN 43 N 3.74 3.45 1.19 2.79 0.74 -0.20 0.76 119.66 132.13 1ufn s GLN 43 Ca 0.24 -0.16 -0.15 0.00 0.05 0.00 0.00 55.36 55.34 1ufn s GLN 43 Cb -0.16 -3.90 0.28 0.00 1.10 0.00 0.00 33.01 30.34 1ufn s GLN 43 CO 0.14 -0.93 1.03 0.54 -0.55 0.00 0.00 175.29 175.52 1ufn s ASN 44 N 1.95 0.91 0.60 6.67 2.20 -0.17 -1.53 114.94 125.58 1ufn s ASN 44 Ca 0.25 1.18 0.40 0.00 -0.94 0.00 0.00 52.86 53.75 1ufn s ASN 44 Cb -0.14 -1.81 2.05 0.00 -2.00 0.00 0.00 41.25 39.35 1ufn s ASN 44 CO 0.18 -4.19 2.21 -0.33 -2.94 0.00 0.00 177.10 172.03 1ufn h GLU 45 N -2.62 0.00 0.00 3.55 5.08 -1.86 0.03 114.58 118.76 1ufn h GLU 45 Ca -0.55 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1ufn h GLU 45 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1ufn h GLU 45 CO 0.47 0.00 -0.10 0.00 -1.00 0.00 0.00 179.01 178.38 1ufn n ALA 46 N -2.05 2.44 0.00 3.43 0.00 -1.26 -4.92 120.51 118.15 1ufn n ALA 46 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1ufn n ALA 46 Cb 0.13 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 1.38 3.14 3.73 0.00 0.00 -0.00 -5.05 105.19 108.39 1ufn n GLY 47 Ca 0.06 0.00 -0.41 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 -0.53 6.84 0.21 1.61 1.11 -1.26 -4.64 116.67 120.01 1ufn s ASP 48 Ca 0.00 2.44 -0.20 0.00 0.18 0.00 0.00 52.55 54.97 1ufn s ASP 48 Cb 0.00 -2.61 -0.08 0.00 1.07 0.00 0.00 42.92 41.30 1ufn s ASP 48 CO 0.00 -0.58 0.72 0.26 1.18 0.00 0.00 175.17 176.75 1ufn s TRP 49 N 0.26 3.68 -0.01 4.23 0.52 -1.26 -0.99 118.94 125.37 1ufn s TRP 49 Ca 0.59 1.40 0.04 0.00 0.02 0.00 0.00 56.10 58.15 1ufn s TRP 49 Cb -0.38 -2.62 -0.01 0.00 -1.15 0.00 0.00 33.47 29.31 1ufn s TRP 49 CO 0.38 0.37 -0.13 -0.51 0.02 0.00 0.00 176.95 177.08 1ufn s LEU 50 N -1.86 2.03 0.47 2.99 2.01 0.23 -4.93 118.68 119.62 1ufn s LEU 50 Ca 0.42 -0.24 -0.21 0.00 0.01 0.00 0.00 54.13 54.11 1ufn s LEU 50 Cb -0.17 -0.65 -0.08 0.00 0.01 0.00 0.00 46.19 45.29 1ufn s LEU 50 CO 0.21 0.15 1.07 0.42 1.01 0.00 0.00 176.35 179.21 1ufn s THR 51 N -0.32 3.61 0.41 5.49 -4.23 -1.26 -2.04 115.64 117.30 1ufn s THR 51 Ca 0.05 1.07 0.37 0.00 -1.18 0.00 0.00 61.69 61.99 1ufn s THR 51 Cb -0.05 -3.47 0.54 0.00 1.34 0.00 0.00 72.50 70.87 1ufn s THR 51 CO -0.00 -0.15 1.15 0.52 -0.54 0.00 0.00 174.62 175.59 1ufn n VAL 52 N -0.79 0.00 -0.08 2.29 0.31 -1.25 0.83 118.33 119.63 1ufn n VAL 52 Ca 0.09 1.10 -0.12 0.00 -0.01 0.00 0.00 64.34 65.39 1ufn n VAL 52 Cb 0.51 -1.83 -0.07 0.00 -0.91 0.00 0.00 33.84 31.54 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 -1.89 -3.37 116.57 118.22 1ufn h LYS 53 Ca 0.69 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.50 1ufn h LYS 53 Cb 2.79 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 35.04 1ufn h LYS 53 CO -0.01 0.57 -0.38 0.93 -0.57 0.00 0.00 179.45 179.98 1ufn h GLU 54 N -1.00 -0.31 -0.72 3.15 4.39 0.10 -0.37 114.58 119.81 1ufn h GLU 54 Ca -0.14 0.02 0.23 0.00 0.34 0.00 0.00 59.36 59.82 1ufn h GLU 54 Cb 0.83 0.07 -0.13 0.00 -0.10 0.00 0.00 28.75 29.42 1ufn h GLU 54 CO -0.08 -0.21 0.13 0.34 -1.16 0.00 0.00 179.01 178.03 1ufn n PHE 55 N -4.55 0.58 0.26 4.33 7.35 -0.60 0.11 117.46 124.94 1ufn n PHE 55 Ca -0.03 0.87 -0.16 0.00 -0.76 0.00 0.00 57.45 57.37 1ufn n PHE 55 Cb 0.25 -1.12 -0.08 0.00 0.35 0.00 0.00 39.48 38.87 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 -0.53 -0.94 -2.13 3.38 -1.23 -2.79 115.31 111.07 1ufn h LEU 56 Ca 0.49 -0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.68 1ufn h LEU 56 Cb 1.13 0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.89 1ufn h LEU 56 CO -0.64 -0.34 0.49 -1.13 0.09 0.00 0.00 178.44 176.91 1ufn h ASN 57 N -0.66 0.52 -0.79 -0.43 -0.73 0.11 0.51 115.58 114.09 1ufn h ASN 57 Ca -0.06 0.14 0.16 0.00 1.87 0.00 0.00 56.30 58.41 1ufn h ASN 57 Cb 0.50 0.07 -0.05 0.00 0.27 0.00 0.00 38.32 39.11 1ufn h ASN 57 CO 0.10 0.07 0.53 -0.33 -0.37 0.00 0.00 177.43 177.44 1ufn h GLU 58 N 0.51 0.39 0.06 6.67 4.39 -1.07 -2.39 114.58 123.15 1ufn h GLU 58 Ca 0.59 -0.02 -0.35 0.00 0.34 0.00 0.00 59.36 59.91 1ufn h GLU 58 Cb 1.09 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.61 1ufn h GLU 58 CO -0.49 0.26 -2.06 0.41 -1.16 0.00 0.00 179.01 175.98 1ufn n GLY 59 N -1.52 -0.67 0.00 -3.84 0.00 0.14 -4.63 105.19 94.67 1ufn n GLY 59 Ca 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ufn n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ufn n GLY 60 N 1.92 1.78 0.55 -0.02 0.00 0.84 -4.17 105.19 106.09 1ufn n GLY 60 Ca -0.31 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 2.51 -0.34 1.61 5.12 -0.90 -4.70 116.66 119.96 1ufn n ARG 61 Ca 0.00 -2.50 0.15 0.00 -1.93 0.00 0.00 57.85 53.57 1ufn n ARG 61 Cb 0.00 -1.57 0.35 0.00 -1.16 0.00 0.00 32.46 30.08 1ufn n ARG 61 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ufn h ALA 62 N 1.21 1.69 -0.12 7.54 0.00 -1.87 0.39 119.26 128.10 1ufn h ALA 62 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1ufn h ALA 62 Cb 1.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1ufn h ALA 62 CO 0.11 -0.19 -0.06 0.00 0.00 0.00 0.00 179.25 179.11 1ufn h THR 63 N 0.63 1.12 -3.98 0.00 1.03 -1.96 -3.43 112.91 106.32 1ufn h THR 63 Ca 0.61 -0.50 -0.50 0.00 -0.01 0.00 0.00 66.41 66.00 1ufn h THR 63 Cb 1.06 1.10 0.05 0.00 -1.07 0.00 0.00 68.15 69.29 1ufn h THR 63 CO -0.44 0.16 0.46 -0.44 -0.01 0.00 0.00 175.52 175.25 1ufn s SER 64 N -6.92 6.42 -0.09 0.00 0.01 0.14 -5.00 113.70 108.25 1ufn s SER 64 Ca -0.05 2.23 -0.07 0.00 1.31 0.00 0.00 55.95 59.36 1ufn s SER 64 Cb 0.16 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.77 1ufn s SER 64 CO 0.71 -0.74 -0.14 1.17 0.41 0.00 0.00 173.24 174.64 1ufn n LYS 65 N -0.26 0.26 -1.55 12.44 3.00 -1.26 -4.87 118.16 125.92 1ufn n LYS 65 Ca 0.06 0.24 -0.45 0.00 -0.00 0.00 0.00 58.31 58.16 1ufn n LYS 65 Cb 0.48 -1.11 -0.04 0.00 0.00 0.00 0.00 35.03 34.36 1ufn n LYS 65 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ufn n ASP 66 N -3.53 2.80 0.09 3.14 2.03 -1.26 -4.81 116.55 115.01 1ufn n ASP 66 Ca -0.06 0.20 -0.03 0.00 0.52 0.00 0.00 54.79 55.42 1ufn n ASP 66 Cb 0.22 -1.46 -0.05 0.00 -0.72 0.00 0.00 41.12 39.10 1ufn n ASP 66 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1ufn h TRP 67 N 14.63 0.00 0.00 -0.67 5.08 -1.90 -3.03 115.95 130.06 1ufn h TRP 67 Ca -0.35 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.59 1ufn h TRP 67 Cb 1.27 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.42 1ufn h TRP 67 CO 0.95 0.80 -0.17 0.87 -1.28 0.00 0.00 178.44 179.62 1ufn h LYS 68 N 0.00 0.00 0.11 0.12 1.57 -1.87 -0.83 116.57 115.67 1ufn h LYS 68 Ca -0.01 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 1ufn h LYS 68 Cb 1.60 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.90 1ufn h LYS 68 CO 0.10 0.17 -1.61 0.78 -0.57 0.00 0.00 179.45 178.32 1ufn h GLY 69 N 1.23 0.27 1.20 3.86 0.00 -1.95 -2.98 103.07 104.69 1ufn h GLY 69 Ca -0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 47.33 46.51 1ufn h GLY 69 CO 0.02 0.60 -0.22 -0.39 0.00 0.00 0.00 176.54 176.56 1ufn h VAL 70 N -0.24 1.27 -3.42 4.60 -1.51 -1.47 -3.43 116.25 112.05 1ufn h VAL 70 Ca -0.35 -1.37 -0.54 0.00 -1.23 0.00 0.00 66.70 63.21 1ufn h VAL 70 Cb 1.82 1.15 -0.03 0.00 -2.13 0.00 0.00 31.29 32.10 1ufn h VAL 70 CO 0.04 0.47 0.28 -0.63 -1.23 0.00 0.00 177.57 176.50 1ufn s ILE 71 N -4.65 4.84 -0.04 7.19 1.01 -0.32 -4.50 121.20 124.73 1ufn s ILE 71 Ca -0.11 1.87 0.05 0.00 0.00 0.00 0.00 60.65 62.47 1ufn s ILE 71 Cb 0.13 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 1ufn s ILE 71 CO 0.86 0.23 -0.19 -0.13 0.00 0.00 0.00 174.94 175.70 1ufn s ARG 72 N 0.69 2.36 -0.29 2.79 0.52 0.62 -3.26 118.95 122.38 1ufn s ARG 72 Ca 0.46 -0.80 0.03 0.00 -0.52 0.00 0.00 55.73 54.91 1ufn s ARG 72 Cb -0.21 -2.24 0.08 0.00 0.52 0.00 0.00 34.95 33.10 1ufn s ARG 72 CO 0.25 0.59 -0.03 0.00 0.02 0.00 0.00 175.30 176.13 1ufn n ASN 74 N 4.42 -4.26 0.00 0.00 4.13 -1.26 -2.08 115.26 116.21 1ufn n ASN 74 Ca -0.06 -0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.11 1ufn n ASN 74 Cb 0.42 -3.31 0.00 0.00 -1.54 0.00 0.00 39.78 35.35 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 -1.11 1.77 3.25 7.41 0.00 -1.26 -5.01 105.19 110.23 1ufn n GLY 75 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.39 3.17 0.49 1.61 8.01 -0.88 -5.07 118.70 125.64 1ufn s GLU 76 Ca 0.00 -0.78 -0.23 0.00 0.01 0.00 0.00 54.97 53.96 1ufn s GLU 76 Cb 0.00 -2.53 -0.07 0.00 -4.31 0.00 0.00 34.13 27.21 1ufn s GLU 76 CO 0.00 0.06 1.29 0.25 0.01 0.00 0.00 175.26 176.86 1ufn n THR 77 N 3.92 3.19 -0.28 3.63 -2.24 -1.26 0.03 114.28 121.27 1ufn n THR 77 Ca -0.19 -0.50 0.09 0.00 -2.27 0.00 0.00 64.05 61.18 1ufn n THR 77 Cb 0.52 -1.59 0.24 0.00 -2.10 0.00 0.00 70.33 67.40 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 1.68 0.11 -0.90 3.22 3.38 -1.50 0.21 115.31 121.51 1ufn h LEU 78 Ca -0.49 0.16 0.11 0.00 0.09 0.00 0.00 57.88 57.75 1ufn h LEU 78 Cb 1.30 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 42.16 1ufn h LEU 78 CO 0.58 -0.05 0.53 -0.09 0.09 0.00 0.00 178.44 179.50 1ufn h ARG 79 N 0.30 0.83 -0.07 1.13 1.12 -1.88 0.39 114.38 116.20 1ufn h ARG 79 Ca 0.49 -0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 59.30 1ufn h ARG 79 Cb 0.89 -0.19 -0.00 0.00 -0.01 0.00 0.00 29.97 30.66 1ufn h ARG 79 CO -0.55 0.55 0.02 1.25 -3.11 0.00 0.00 179.97 178.13 1ufn h HIS 80 N 0.85 0.12 -0.71 2.20 2.76 -0.94 -2.65 115.15 116.78 1ufn h HIS 80 Ca 0.44 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.62 1ufn h HIS 80 Cb 0.44 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.33 1ufn h HIS 80 CO -0.04 0.31 0.45 -0.07 -1.30 0.00 0.00 177.93 177.28 1ufn h LEU 81 N -0.11 0.75 -0.61 0.26 3.38 -0.71 -2.42 115.31 115.86 1ufn h LEU 81 Ca 0.02 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1ufn h LEU 81 Cb 0.25 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1ufn h LEU 81 CO 0.00 0.53 0.28 -0.08 0.09 0.00 0.00 178.44 179.26 1ufn h GLU 82 N 0.89 0.50 -0.86 1.13 4.22 -0.85 -0.94 114.58 118.68 1ufn h GLU 82 Ca 0.28 -0.03 0.09 0.00 0.08 0.00 0.00 59.36 59.78 1ufn h GLU 82 Cb -0.02 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.06 1ufn h GLU 82 CO -0.09 0.33 0.56 1.96 -2.18 0.00 0.00 179.01 179.59 1ufn h GLN 83 N 0.52 0.85 -0.18 1.92 4.20 -1.07 0.26 115.11 121.60 1ufn h GLN 83 Ca 0.29 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1ufn h GLN 83 Cb 0.28 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1ufn h GLN 83 CO -0.24 0.56 0.00 1.63 -0.67 0.00 0.00 178.83 180.11 1ufn n LYS 84 N -4.51 1.06 -2.67 1.46 5.02 -0.46 -4.85 118.16 113.21 1ufn n LYS 84 Ca 0.14 -0.08 -0.19 0.00 -2.02 0.00 0.00 58.31 56.16 1ufn n LYS 84 Cb 0.28 -1.10 0.01 0.00 -0.02 0.00 0.00 35.03 34.21 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 0.45 -0.38 0.11 0.72 0.00 0.90 -4.89 105.19 102.09 1ufn n GLY 85 Ca 0.01 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.17 1.91 -4.40 0.99 4.77 -0.61 -4.92 117.00 111.56 1ufn n LEU 86 Ca -0.15 -0.08 -0.35 0.00 -0.03 0.00 0.00 56.01 55.40 1ufn n LEU 86 Cb 0.63 -0.36 -0.13 0.00 -2.33 0.00 0.00 43.42 41.24 1ufn n LEU 86 CO 0.35 0.73 -0.35 -0.22 -1.33 0.00 0.00 177.39 176.56 1ufn s LEU 87 N -5.98 3.12 0.35 2.23 2.96 -1.22 -4.92 118.68 115.23 1ufn s LEU 87 Ca -0.23 -0.27 0.03 0.00 -0.22 0.00 0.00 54.13 53.44 1ufn s LEU 87 Cb 0.07 -1.79 0.65 0.00 0.50 0.00 0.00 46.19 45.62 1ufn s LEU 87 CO 0.61 0.04 1.99 2.19 -1.32 0.00 0.00 176.35 179.85 1ufn h PHE 88 N 7.68 0.72 -6.31 5.38 -0.00 -1.92 -3.39 116.94 119.10 1ufn h PHE 88 Ca -0.37 -0.00 -0.47 0.00 -0.00 0.00 0.00 57.97 57.13 1ufn h PHE 88 Cb 1.17 -0.24 -0.03 0.00 -0.00 0.00 0.00 35.95 36.86 1ufn h PHE 88 CO 0.59 0.49 -0.80 0.43 -0.00 0.00 0.00 178.31 179.02 1ufn n SER 89 N -4.41 -3.06 0.00 -0.68 7.64 -1.26 -4.64 113.62 107.20 1ufn n SER 89 Ca 0.05 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 59.09 1ufn n SER 89 Cb 0.09 -3.72 0.00 0.00 -1.01 0.00 0.00 64.21 59.57 1ufn n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ufn n GLY 90 N -1.67 -1.91 3.72 0.23 0.00 -1.26 -4.89 105.19 99.42 1ufn n GLY 90 Ca -0.10 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.14 4.35 -0.53 1.61 0.04 -1.26 -4.99 135.00 132.08 1ufn s PRO 91 Ca 0.00 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 62.88 1ufn s PRO 91 Cb 0.00 -3.24 0.06 0.00 0.04 0.00 0.00 34.50 31.36 1ufn s PRO 91 CO 0.00 -0.36 0.68 -1.12 0.04 0.00 0.00 177.00 176.24 1ufn s SER 92 N 0.84 6.23 0.10 6.66 0.01 -1.26 -4.94 113.70 121.33 1ufn s SER 92 Ca 0.61 -0.95 -0.28 0.00 1.31 0.00 0.00 55.95 56.64 1ufn s SER 92 Cb -0.36 -2.31 -0.12 0.00 0.21 0.00 0.00 66.02 63.44 1ufn s SER 92 CO 0.33 -0.98 1.64 -1.28 0.41 0.00 0.00 173.24 173.36 1ufn h SER 93 N 9.08 -0.69 0.00 2.44 0.87 -2.01 -3.56 113.55 119.68 1ufn h SER 93 Ca -0.28 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1ufn h SER 93 Cb 1.09 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1ufn h SER 93 CO 1.01 -0.37 0.00 0.61 -0.53 0.00 0.00 176.83 177.55