#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufn h SER 2 N 0.00 -0.58 -2.77 1.61 0.02 -2.05 -3.40 113.55 106.37 1ufn h SER 2 Ca 0.00 0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1ufn h SER 2 Cb 0.00 0.46 -0.23 0.00 0.14 0.00 0.00 62.40 62.77 1ufn h SER 2 CO 0.00 -0.27 -0.14 -0.44 -1.14 0.00 0.00 176.83 174.84 1ufn s SER 3 N -5.18 -0.79 0.00 3.07 0.01 -1.26 -5.14 113.70 104.41 1ufn s SER 3 Ca -0.14 1.31 0.00 0.00 1.31 0.00 0.00 55.95 58.43 1ufn s SER 3 Cb 0.25 1.44 0.00 0.00 0.21 0.00 0.00 66.02 67.91 1ufn s SER 3 CO 0.76 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.80 1ufn n GLY 4 N 4.70 3.13 3.58 3.44 0.00 -1.26 -4.97 105.19 113.81 1ufn n GLY 4 Ca -0.17 -1.69 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 1ufn n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ufn s SER 5 N 0.00 5.30 0.32 1.61 1.04 -1.26 -4.77 113.70 115.94 1ufn s SER 5 Ca 0.00 1.15 0.08 0.00 0.48 0.00 0.00 55.95 57.67 1ufn s SER 5 Cb 0.00 -2.52 0.94 0.00 0.10 0.00 0.00 66.02 64.54 1ufn s SER 5 CO 0.00 -2.20 1.51 -0.24 0.98 0.00 0.00 173.24 173.29 1ufn n SER 6 N 12.51 0.05 -3.89 7.02 2.88 -1.26 -4.66 113.62 126.27 1ufn n SER 6 Ca 0.27 1.62 -0.10 0.00 -1.33 0.00 0.00 58.87 59.34 1ufn n SER 6 Cb 0.50 -0.66 -0.05 0.00 -0.75 0.00 0.00 64.21 63.24 1ufn n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ufn s GLY 7 N -4.37 0.64 0.56 0.46 0.00 -1.26 -5.12 107.32 98.22 1ufn s GLY 7 Ca -0.11 -0.95 0.06 0.00 0.00 0.00 0.00 44.72 43.72 1ufn s GLY 7 CO 0.75 -0.66 0.77 0.54 0.00 0.00 0.00 173.10 174.50 1ufn s ASN 8 N -3.04 5.12 -0.19 1.64 2.20 -1.26 -5.10 114.94 114.30 1ufn s ASN 8 Ca 0.23 -0.51 -0.05 0.00 -0.94 0.00 0.00 52.86 51.59 1ufn s ASN 8 Cb -0.01 -0.20 -0.03 0.00 -2.00 0.00 0.00 41.25 39.02 1ufn s ASN 8 CO 0.10 -1.27 0.00 1.51 -2.94 0.00 0.00 177.10 174.51 1ufn s ASP 9 N -4.56 4.95 0.33 3.54 -4.77 -1.26 -5.06 116.67 109.85 1ufn s ASP 9 Ca 0.60 -0.15 -0.13 0.00 -3.30 0.00 0.00 52.55 49.58 1ufn s ASP 9 Cb -0.07 -1.84 0.03 0.00 -1.09 0.00 0.00 42.92 39.94 1ufn s ASP 9 CO 0.38 0.10 0.64 0.00 0.70 0.00 0.00 175.17 177.00 1ufn s ALA 10 N 0.80 -0.35 -0.25 2.11 0.00 -1.26 -5.08 121.76 117.73 1ufn s ALA 10 Ca 0.01 -0.90 -0.10 0.00 0.00 0.00 0.00 51.96 50.97 1ufn s ALA 10 Cb -0.14 0.90 -0.16 0.00 0.00 0.00 0.00 23.12 23.72 1ufn s ALA 10 CO 0.02 -0.92 -0.17 0.28 0.00 0.00 0.00 175.76 174.97 1ufn n VAL 11 N -0.50 1.54 -0.20 0.00 0.31 -1.26 -4.19 118.33 114.03 1ufn n VAL 11 Ca -0.04 -0.41 -0.09 0.00 -0.01 0.00 0.00 64.34 63.79 1ufn n VAL 11 Cb 0.61 -1.77 0.02 0.00 -0.91 0.00 0.00 33.84 31.79 1ufn n VAL 11 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1ufn h ASP 12 N -0.63 1.05 -0.10 4.52 3.32 -1.95 -3.17 116.42 119.46 1ufn h ASP 12 Ca -0.59 -0.32 0.04 0.00 0.02 0.00 0.00 57.03 56.18 1ufn h ASP 12 Cb 1.69 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 40.89 1ufn h ASP 12 CO -0.26 1.12 -0.27 -0.26 -1.72 0.00 0.00 179.24 177.86 1ufn h PHE 13 N 0.96 -0.73 -2.94 4.55 -1.00 -1.97 -3.40 116.94 112.41 1ufn h PHE 13 Ca 0.16 0.03 -0.55 0.00 2.81 0.00 0.00 57.97 60.43 1ufn h PHE 13 Cb 0.61 0.34 -0.01 0.00 3.61 0.00 0.00 35.95 40.50 1ufn h PHE 13 CO 0.04 -0.35 0.82 -1.54 -1.61 0.00 0.00 178.31 175.66 1ufn s SER 14 N -4.94 6.90 0.00 2.17 1.04 -1.20 -4.88 113.70 112.79 1ufn s SER 14 Ca -0.15 2.01 0.11 0.00 0.48 0.00 0.00 55.95 58.41 1ufn s SER 14 Cb 0.10 -2.56 0.67 0.00 0.10 0.00 0.00 66.02 64.33 1ufn s SER 14 CO 0.66 -0.70 1.10 -0.81 0.98 0.00 0.00 173.24 174.48 1ufn n PRO 15 N 5.50 0.49 -5.17 4.02 -0.04 -1.26 -4.66 135.00 133.88 1ufn n PRO 15 Ca 0.13 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.27 1ufn n PRO 15 Cb 0.44 -1.36 -0.15 0.00 -0.04 0.00 0.00 33.50 32.39 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 2.37 0.01 0.52 -4.23 -1.26 -0.80 115.64 110.26 1ufn s THR 16 Ca 0.17 -0.98 0.03 0.00 -1.18 0.00 0.00 61.69 59.73 1ufn s THR 16 Cb 0.08 -1.87 -0.01 0.00 1.34 0.00 0.00 72.50 72.04 1ufn s THR 16 CO 0.13 0.58 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.94 1ufn s LEU 17 N -0.54 2.09 -0.07 4.79 1.43 -0.20 -4.96 118.68 121.23 1ufn s LEU 17 Ca 0.07 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.61 1ufn s LEU 17 Cb -0.11 -0.38 -0.05 0.00 0.03 0.00 0.00 46.19 45.69 1ufn s LEU 17 CO 0.00 0.03 1.50 -2.16 0.23 0.00 0.00 176.35 175.95 1ufn s PRO 18 N -0.61 4.22 0.07 1.29 0.04 -1.26 -0.80 135.00 137.95 1ufn s PRO 18 Ca 0.00 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.13 1ufn s PRO 18 Cb -0.05 -3.83 -0.03 0.00 0.04 0.00 0.00 34.50 30.63 1ufn s PRO 18 CO 0.00 -0.75 -0.20 0.14 0.04 0.00 0.00 177.00 176.23 1ufn s VAL 19 N 3.52 1.58 -0.10 -0.36 -7.23 -1.12 -4.07 120.40 112.63 1ufn s VAL 19 Ca 0.67 -1.36 -0.06 0.00 -1.81 0.00 0.00 61.98 59.42 1ufn s VAL 19 Cb -0.30 -1.42 0.04 0.00 0.56 0.00 0.00 36.38 35.26 1ufn s VAL 19 CO 0.25 0.02 0.25 0.42 -0.31 0.00 0.00 175.10 175.73 1ufn s THR 20 N -1.02 -0.03 -0.29 5.32 -4.23 -0.83 -1.94 115.64 112.61 1ufn s THR 20 Ca 0.05 0.12 -0.00 0.00 -1.18 0.00 0.00 61.69 60.68 1ufn s THR 20 Cb -0.09 -0.38 0.09 0.00 1.34 0.00 0.00 72.50 73.46 1ufn s THR 20 CO 0.03 0.05 0.07 0.00 -0.54 0.00 0.00 174.62 174.23 1ufn n GLY 22 N 4.76 1.32 1.57 0.00 0.00 -1.26 0.48 105.19 112.06 1ufn n GLY 22 Ca -0.03 0.49 0.07 0.00 0.00 0.00 0.00 46.02 46.55 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 0.00 3.89 -5.08 1.61 4.76 -1.25 -4.90 118.16 117.19 1ufn n LYS 23 Ca 0.00 -2.63 -0.32 0.00 -2.87 0.00 0.00 58.31 52.49 1ufn n LYS 23 Cb 0.00 -1.99 -0.14 0.00 -1.84 0.00 0.00 35.03 31.06 1ufn n LYS 23 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ufn s ALA 24 N -2.16 2.44 -0.01 7.82 0.00 0.18 -4.67 121.76 125.36 1ufn s ALA 24 Ca 0.46 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1ufn s ALA 24 Cb 0.32 -0.79 0.01 0.00 0.00 0.00 0.00 23.12 22.67 1ufn s ALA 24 CO 0.18 0.54 0.01 0.15 0.00 0.00 0.00 175.76 176.64 1ufn s LYS 25 N -0.65 -0.01 0.00 0.00 1.02 -1.26 -0.19 119.74 118.65 1ufn s LYS 25 Ca 0.10 0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.18 1ufn s LYS 25 Cb -0.11 -0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.07 1ufn s LYS 25 CO 0.00 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 1ufn n GLY 26 N 3.62 2.57 3.19 -3.33 0.00 -0.82 -2.42 105.19 108.00 1ufn n GLY 26 Ca -0.20 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.54 -0.01 -0.11 2.61 2.01 0.87 -2.78 115.64 117.69 1ufn s THR 27 Ca 0.00 0.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.91 1ufn s THR 27 Cb 0.00 -0.45 -0.05 0.00 0.01 0.00 0.00 72.50 72.01 1ufn s THR 27 CO 0.00 0.01 0.28 -0.22 -0.69 0.00 0.00 174.62 174.01 1ufn s LEU 28 N 0.49 4.34 -0.41 4.42 2.96 0.02 -0.62 118.68 129.88 1ufn s LEU 28 Ca -0.03 0.61 -0.05 0.00 -0.22 0.00 0.00 54.13 54.45 1ufn s LEU 28 Cb -0.04 -2.35 0.10 0.00 0.50 0.00 0.00 46.19 44.39 1ufn s LEU 28 CO -0.03 0.23 0.21 -0.36 -1.32 0.00 0.00 176.35 175.08 1ufn s PHE 29 N -0.28 3.49 0.53 5.38 0.40 -1.14 -1.03 117.98 125.33 1ufn s PHE 29 Ca 0.18 -2.12 0.38 0.00 -0.60 0.00 0.00 56.93 54.77 1ufn s PHE 29 Cb -0.14 -3.09 1.56 0.00 0.51 0.00 0.00 43.02 41.86 1ufn s PHE 29 CO 0.06 -0.93 1.74 1.96 0.70 0.00 0.00 175.22 178.75 1ufn h GLN 30 N 8.16 0.03 -0.28 0.44 4.20 -1.34 0.66 115.11 126.98 1ufn h GLN 30 Ca -0.17 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.44 1ufn h GLN 30 Cb 1.06 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 1ufn h GLN 30 CO 0.71 0.02 -0.22 1.05 -0.67 0.00 0.00 178.83 179.72 1ufn h GLU 31 N 0.04 0.65 -0.00 1.46 4.11 -1.93 0.30 114.58 119.20 1ufn h GLU 31 Ca 0.67 -0.32 0.00 0.00 0.07 0.00 0.00 59.36 59.78 1ufn h GLU 31 Cb 2.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.83 1ufn h GLU 31 CO -0.05 0.92 -0.17 1.63 0.07 0.00 0.00 179.01 181.40 1ufn n LYS 32 N -4.33 0.40 -0.11 1.06 5.02 0.19 -3.85 118.16 116.53 1ufn n LYS 32 Ca -0.04 -0.14 -0.19 0.00 -2.02 0.00 0.00 58.31 55.92 1ufn n LYS 32 Cb 0.43 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.82 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 -1.18 2.89 -0.22 -0.35 7.94 0.10 -4.32 117.00 121.87 1ufn n LEU 33 Ca 0.11 -0.07 0.25 0.00 -1.11 0.00 0.00 56.01 55.18 1ufn n LEU 33 Cb 0.31 -0.94 0.62 0.00 0.53 0.00 0.00 43.42 43.94 1ufn n LEU 33 CO 0.27 0.91 1.24 0.07 -1.11 0.00 0.00 177.39 178.77 1ufn h LYS 34 N -0.03 0.19 -0.49 1.96 2.10 -0.51 0.17 116.57 119.95 1ufn h LYS 34 Ca -0.56 -0.01 -0.12 0.00 -2.00 0.00 0.00 60.65 57.95 1ufn h LYS 34 Cb 1.90 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 33.18 1ufn h LYS 34 CO -0.08 0.13 -0.17 1.96 -2.00 0.00 0.00 179.45 179.29 1ufn h GLN 35 N 0.20 0.98 0.00 0.07 4.20 -1.76 -3.41 115.11 115.39 1ufn h GLN 35 Ca 0.47 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1ufn h GLN 35 Cb 1.50 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.24 1ufn h GLN 35 CO -0.10 1.07 0.00 0.41 -0.67 0.00 0.00 178.83 179.54 1ufn n GLY 36 N -0.16 2.41 0.33 3.46 0.00 0.58 -4.99 105.19 106.82 1ufn n GLY 36 Ca 0.00 0.27 0.25 0.00 0.00 0.00 0.00 46.02 46.54 1ufn n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufn h ALA 37 N 0.00 1.99 -1.00 4.61 0.00 -1.87 0.60 119.26 123.59 1ufn h ALA 37 Ca 0.00 0.20 0.23 0.00 0.00 0.00 0.00 54.91 55.34 1ufn h ALA 37 Cb 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.87 1ufn h ALA 37 CO 0.00 -0.62 0.63 1.03 0.00 0.00 0.00 179.25 180.29 1ufn h SER 38 N 0.29 0.57 -3.95 0.00 0.87 -1.94 -2.89 113.55 106.49 1ufn h SER 38 Ca 0.75 0.09 -0.52 0.00 -1.23 0.00 0.00 61.79 60.88 1ufn h SER 38 Cb 1.75 -0.01 0.07 0.00 -0.44 0.00 0.00 62.40 63.77 1ufn h SER 38 CO -0.62 0.16 0.55 -0.54 -0.53 0.00 0.00 176.83 175.84 1ufn s LYS 39 N -5.62 3.97 -0.43 2.24 1.02 0.21 -4.62 119.74 116.51 1ufn s LYS 39 Ca -0.10 1.97 -0.27 0.00 0.02 0.00 0.00 55.97 57.59 1ufn s LYS 39 Cb 0.25 -2.67 -0.04 0.00 -0.52 0.00 0.00 37.83 34.85 1ufn s LYS 39 CO 0.80 -0.43 2.08 0.15 -0.92 0.00 0.00 175.35 177.02 1ufn s LYS 40 N -2.32 2.73 -0.01 1.68 -0.14 -1.26 -4.36 119.74 116.06 1ufn s LYS 40 Ca 0.58 1.31 0.02 0.00 -1.36 0.00 0.00 55.97 56.52 1ufn s LYS 40 Cb -0.34 -4.40 -0.03 0.00 -1.68 0.00 0.00 37.83 31.38 1ufn s LYS 40 CO 0.42 -2.57 0.03 0.00 -0.76 0.00 0.00 175.35 172.47 1ufn s ILE 42 N -2.11 4.43 -0.29 0.00 1.01 -0.80 -2.88 121.20 120.54 1ufn s ILE 42 Ca -0.01 0.34 -0.18 0.00 0.00 0.00 0.00 60.65 60.80 1ufn s ILE 42 Cb 0.01 -4.51 -0.02 0.00 0.01 0.00 0.00 42.46 37.96 1ufn s ILE 42 CO 0.09 -1.05 0.52 -1.58 0.00 0.00 0.00 174.94 172.92 1ufn s GLN 43 N 3.86 3.91 0.98 2.79 0.74 0.21 0.11 119.66 132.26 1ufn s GLN 43 Ca 0.31 0.16 -0.14 0.00 0.05 0.00 0.00 55.36 55.73 1ufn s GLN 43 Cb -0.12 -3.71 0.18 0.00 1.10 0.00 0.00 33.01 30.46 1ufn s GLN 43 CO 0.20 -0.47 1.17 0.54 -0.55 0.00 0.00 175.29 176.18 1ufn s ASN 44 N 1.63 2.89 0.57 6.67 2.20 -1.14 -0.09 114.94 127.67 1ufn s ASN 44 Ca 0.21 0.76 0.26 0.00 -0.94 0.00 0.00 52.86 53.15 1ufn s ASN 44 Cb -0.15 -1.16 1.58 0.00 -2.00 0.00 0.00 41.25 39.51 1ufn s ASN 44 CO 0.11 -2.92 2.11 1.05 -2.94 0.00 0.00 177.10 174.51 1ufn h GLU 45 N -1.76 0.00 0.00 3.55 4.11 -1.83 0.34 114.58 118.99 1ufn h GLU 45 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1ufn h GLU 45 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1ufn h GLU 45 CO 0.51 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.59 1ufn n ALA 46 N -2.41 2.21 0.00 1.06 0.00 -1.26 -4.90 120.51 115.21 1ufn n ALA 46 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1ufn n ALA 46 Cb 0.31 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 1.19 2.58 3.61 0.00 0.00 0.12 -5.02 105.19 107.68 1ufn n GLY 47 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.46 6.22 0.62 1.61 1.11 -1.26 -4.61 116.67 118.90 1ufn s ASP 48 Ca 0.00 1.30 -0.19 0.00 0.18 0.00 0.00 52.55 53.84 1ufn s ASP 48 Cb 0.00 -2.53 -0.02 0.00 1.07 0.00 0.00 42.92 41.44 1ufn s ASP 48 CO 0.00 -1.44 1.27 0.26 1.18 0.00 0.00 175.17 176.44 1ufn s TRP 49 N 5.79 2.18 -0.00 4.23 0.52 -1.26 -2.87 118.94 127.52 1ufn s TRP 49 Ca 0.71 1.48 -0.00 0.00 0.02 0.00 0.00 56.10 58.31 1ufn s TRP 49 Cb -0.21 -3.64 -0.00 0.00 -1.15 0.00 0.00 33.47 28.47 1ufn s TRP 49 CO 0.31 -2.72 0.01 -0.51 0.02 0.00 0.00 176.95 174.06 1ufn s LEU 50 N -4.21 1.98 0.45 2.99 1.43 0.31 -4.92 118.68 116.70 1ufn s LEU 50 Ca 0.80 -0.02 -0.24 0.00 -1.03 0.00 0.00 54.13 53.65 1ufn s LEU 50 Cb -0.36 0.04 -0.07 0.00 0.03 0.00 0.00 46.19 45.83 1ufn s LEU 50 CO 0.38 -0.03 1.23 0.42 0.23 0.00 0.00 176.35 178.58 1ufn s THR 51 N -0.11 2.84 0.43 5.49 -4.23 -1.26 -1.91 115.64 116.88 1ufn s THR 51 Ca -0.01 0.67 0.39 0.00 -1.18 0.00 0.00 61.69 61.56 1ufn s THR 51 Cb -0.01 -3.36 0.58 0.00 1.34 0.00 0.00 72.50 71.05 1ufn s THR 51 CO -0.00 0.03 1.23 0.52 -0.54 0.00 0.00 174.62 175.87 1ufn n VAL 52 N -0.32 -0.01 -0.07 2.29 0.31 -1.09 0.53 118.33 119.97 1ufn n VAL 52 Ca 0.06 1.20 -0.08 0.00 -0.01 0.00 0.00 64.34 65.51 1ufn n VAL 52 Cb 0.46 -1.99 -0.06 0.00 -0.91 0.00 0.00 33.84 31.34 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 -0.74 5.55 1.57 -1.88 -3.34 116.57 117.73 1ufn h LYS 53 Ca 0.74 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 59.69 1ufn h LYS 53 Cb 2.95 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 35.12 1ufn h LYS 53 CO -0.03 0.42 -0.06 0.93 -0.57 0.00 0.00 179.45 180.13 1ufn h GLU 54 N -1.00 0.06 -0.80 3.15 5.08 -0.24 0.18 114.58 121.00 1ufn h GLU 54 Ca -0.06 -0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.48 1ufn h GLU 54 Cb 0.59 -0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.71 1ufn h GLU 54 CO -0.04 0.04 0.22 0.35 -1.00 0.00 0.00 179.01 178.58 1ufn h PHE 55 N 0.06 0.34 -0.05 4.33 3.57 -1.33 -0.30 116.94 123.56 1ufn h PHE 55 Ca 0.39 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.93 1ufn h PHE 55 Cb 0.66 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 1ufn h PHE 55 CO -0.48 -0.11 0.03 -0.07 -2.23 0.00 0.00 178.31 175.45 1ufn h LEU 56 N 0.27 0.06 -1.17 0.59 3.38 -0.78 -2.58 115.31 115.08 1ufn h LEU 56 Ca 0.47 -0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.56 1ufn h LEU 56 Cb 0.86 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.50 1ufn h LEU 56 CO -0.56 0.10 0.61 0.78 0.09 0.00 0.00 178.44 179.46 1ufn h ASN 57 N 0.02 0.71 -0.79 -0.43 2.35 -0.66 0.16 115.58 116.93 1ufn h ASN 57 Ca 0.02 0.06 0.10 0.00 -0.55 0.00 0.00 56.30 55.93 1ufn h ASN 57 Cb 0.05 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.29 1ufn h ASN 57 CO -0.00 0.30 0.52 -0.33 -1.65 0.00 0.00 177.43 176.27 1ufn h GLU 58 N 0.72 0.71 0.11 0.81 4.39 -0.90 -2.54 114.58 117.88 1ufn h GLU 58 Ca 0.51 -0.04 -0.32 0.00 0.34 0.00 0.00 59.36 59.85 1ufn h GLU 58 Cb 0.85 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1ufn h GLU 58 CO -0.28 0.47 -1.71 0.78 -1.16 0.00 0.00 179.01 177.11 1ufn h GLY 59 N 0.73 0.26 0.00 -3.84 0.00 -0.78 -3.40 103.07 96.04 1ufn h GLY 59 Ca 0.36 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1ufn h GLY 59 CO -0.14 0.59 0.00 0.61 0.00 0.00 0.00 176.54 177.60 1ufn n GLY 60 N 1.76 1.87 0.22 4.60 0.00 0.14 -3.83 105.19 109.94 1ufn n GLY 60 Ca -0.21 0.00 0.04 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 -0.42 2.53 -0.36 1.61 1.74 -1.04 -4.74 116.66 115.99 1ufn n ARG 61 Ca 0.00 -2.01 0.28 0.00 -0.77 0.00 0.00 57.85 55.35 1ufn n ARG 61 Cb 0.00 -1.26 0.53 0.00 -1.02 0.00 0.00 32.46 30.71 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 0.54 2.18 -0.77 7.54 0.00 -1.87 0.26 119.26 127.14 1ufn h ALA 62 Ca 0.00 0.17 0.18 0.00 0.00 0.00 0.00 54.91 55.26 1ufn h ALA 62 Cb 0.76 0.17 -0.12 0.00 0.00 0.00 0.00 17.79 18.61 1ufn h ALA 62 CO 0.02 -0.80 0.16 1.79 0.00 0.00 0.00 179.25 180.43 1ufn h THR 63 N 0.24 0.44 -3.29 0.00 1.35 -1.95 -3.42 112.91 106.29 1ufn h THR 63 Ca 0.75 -0.08 -0.57 0.00 -0.55 0.00 0.00 66.41 65.96 1ufn h THR 63 Cb 1.92 0.19 0.17 0.00 -1.73 0.00 0.00 68.15 68.71 1ufn h THR 63 CO -0.55 0.04 -0.18 -0.24 -0.25 0.00 0.00 175.52 174.34 1ufn n SER 64 N -5.20 -0.34 -0.10 5.36 2.88 0.92 -4.94 113.62 112.19 1ufn n SER 64 Ca 0.16 0.72 -0.12 0.00 -1.33 0.00 0.00 58.87 58.30 1ufn n SER 64 Cb 0.51 -1.27 -0.14 0.00 -0.75 0.00 0.00 64.21 62.56 1ufn n SER 64 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1ufn n LYS 65 N -0.67 0.78 -3.25 -1.46 0.00 -1.26 -4.87 118.16 107.43 1ufn n LYS 65 Ca 0.12 0.03 -0.43 0.00 -0.00 0.00 0.00 58.31 58.04 1ufn n LYS 65 Cb 0.48 -1.50 -0.08 0.00 -0.00 0.00 0.00 35.03 33.94 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 -5.66 6.25 0.29 -5.58 1.01 -1.26 -4.92 116.67 106.80 1ufn s ASP 66 Ca -0.16 -0.43 0.16 0.00 0.71 0.00 0.00 52.55 52.83 1ufn s ASP 66 Cb 0.07 -2.26 0.20 0.00 1.01 0.00 0.00 42.92 41.94 1ufn s ASP 66 CO 0.73 -0.60 1.50 4.11 0.21 0.00 0.00 175.17 181.12 1ufn h TRP 67 N 8.70 0.00 0.00 4.23 5.08 -1.92 -3.07 115.95 128.98 1ufn h TRP 67 Ca -0.27 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.68 1ufn h TRP 67 Cb 1.11 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.27 1ufn h TRP 67 CO 0.67 0.50 -0.10 0.87 -1.28 0.00 0.00 178.44 179.11 1ufn h LYS 68 N 0.00 0.00 0.09 0.12 1.57 -1.91 -1.07 116.57 115.37 1ufn h LYS 68 Ca -0.01 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.44 1ufn h LYS 68 Cb 1.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 1ufn h LYS 68 CO 0.07 0.10 -1.83 0.41 -0.57 0.00 0.00 179.45 177.63 1ufn n GLY 69 N -0.26 -0.62 0.26 3.86 0.00 -1.18 -2.73 105.19 104.51 1ufn n GLY 69 Ca -0.01 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.20 1.28 -3.19 1.61 -1.51 -1.48 -3.43 116.25 109.33 1ufn h VAL 70 Ca -0.41 -1.39 -0.55 0.00 -1.23 0.00 0.00 66.70 63.12 1ufn h VAL 70 Cb 1.86 1.26 -0.03 0.00 -2.13 0.00 0.00 31.29 32.25 1ufn h VAL 70 CO 0.01 0.47 0.61 -0.63 -1.23 0.00 0.00 177.57 176.80 1ufn s ILE 71 N -4.60 4.54 -0.11 7.19 1.01 -0.41 -4.69 121.20 124.12 1ufn s ILE 71 Ca -0.12 1.83 0.01 0.00 0.00 0.00 0.00 60.65 62.37 1ufn s ILE 71 Cb 0.11 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 1ufn s ILE 71 CO 0.86 0.01 -0.14 -0.13 0.00 0.00 0.00 174.94 175.54 1ufn s ARG 72 N 2.02 3.21 -0.29 2.79 0.52 -0.65 -2.77 118.95 123.77 1ufn s ARG 72 Ca 0.52 -0.70 -0.02 0.00 -0.52 0.00 0.00 55.73 55.01 1ufn s ARG 72 Cb -0.21 -2.56 0.05 0.00 0.52 0.00 0.00 34.95 32.74 1ufn s ARG 72 CO 0.20 0.28 -0.01 0.00 0.02 0.00 0.00 175.30 175.79 1ufn n ASN 74 N 4.62 -5.18 0.00 0.00 3.02 -1.26 -1.47 115.26 114.98 1ufn n ASN 74 Ca -0.14 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 1ufn n ASN 74 Cb 0.44 -4.18 0.00 0.00 -0.61 0.00 0.00 39.78 35.43 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 -1.17 1.52 3.20 7.41 0.00 -1.26 -5.01 105.19 109.88 1ufn n GLY 75 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 3.10 0.36 1.61 8.01 -0.55 -5.07 118.70 125.84 1ufn s GLU 76 Ca 0.00 -0.81 -0.28 0.00 0.01 0.00 0.00 54.97 53.89 1ufn s GLU 76 Cb 0.00 -2.53 -0.12 0.00 -4.31 0.00 0.00 34.13 27.18 1ufn s GLU 76 CO 0.00 -0.02 1.31 0.25 0.01 0.00 0.00 175.26 176.81 1ufn n THR 77 N 4.12 2.07 -0.31 3.63 -2.24 -1.26 0.03 114.28 120.32 1ufn n THR 77 Ca -0.20 -0.50 0.15 0.00 -2.27 0.00 0.00 64.05 61.24 1ufn n THR 77 Cb 0.51 -1.61 0.32 0.00 -2.10 0.00 0.00 70.33 67.46 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 2.53 -0.04 -0.78 3.22 3.38 -1.33 0.50 115.31 122.79 1ufn h LEU 78 Ca -0.47 0.22 0.11 0.00 0.09 0.00 0.00 57.88 57.83 1ufn h LEU 78 Cb 1.28 0.30 -0.08 0.00 0.09 0.00 0.00 40.66 42.25 1ufn h LEU 78 CO 0.62 -0.22 0.39 -0.09 0.09 0.00 0.00 178.44 179.24 1ufn h ARG 79 N 0.16 0.61 -0.74 1.13 2.43 -1.85 -1.03 114.38 115.09 1ufn h ARG 79 Ca 0.59 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.78 1ufn h ARG 79 Cb 1.26 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.62 1ufn h ARG 79 CO -0.71 0.40 0.44 1.25 -1.51 0.00 0.00 179.97 179.85 1ufn h HIS 80 N 0.63 0.82 -0.76 2.20 2.76 -0.31 -1.78 115.15 118.71 1ufn h HIS 80 Ca 0.40 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.59 1ufn h HIS 80 Cb 0.47 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 29.13 1ufn h HIS 80 CO -0.10 0.43 0.48 -0.07 -1.30 0.00 0.00 177.93 177.37 1ufn h LEU 81 N 0.84 0.89 -0.72 0.26 3.38 -0.98 -2.49 115.31 116.49 1ufn h LEU 81 Ca 0.32 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 1ufn h LEU 81 Cb 0.12 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1ufn h LEU 81 CO -0.15 0.67 0.37 -0.08 0.09 0.00 0.00 178.44 179.34 1ufn h GLU 82 N 1.03 1.03 -0.70 1.13 4.57 -0.81 0.20 114.58 121.03 1ufn h GLU 82 Ca 0.28 -0.14 0.04 0.00 -1.18 0.00 0.00 59.36 58.36 1ufn h GLU 82 Cb -0.08 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.28 1ufn h GLU 82 CO -0.06 0.79 0.46 1.96 -1.18 0.00 0.00 179.01 180.99 1ufn h GLN 83 N 1.01 0.79 -0.17 1.92 1.08 -0.91 0.12 115.11 118.95 1ufn h GLN 83 Ca 0.25 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1ufn h GLN 83 Cb 0.08 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.34 1ufn h GLN 83 CO -0.04 0.52 0.00 1.63 -0.95 0.00 0.00 178.83 180.00 1ufn n LYS 84 N -4.46 1.40 -2.47 1.46 5.02 -0.91 -4.87 118.16 113.32 1ufn n LYS 84 Ca 0.09 -0.62 -0.18 0.00 -2.02 0.00 0.00 58.31 55.58 1ufn n LYS 84 Cb 0.15 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 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 0.79 -0.36 0.10 0.72 0.00 0.42 -4.89 105.19 101.97 1ufn n GLY 85 Ca 0.06 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.77 2.39 -4.73 0.99 4.77 0.01 -4.97 117.00 112.69 1ufn n LEU 86 Ca -0.18 -0.09 -0.35 0.00 -0.03 0.00 0.00 56.01 55.36 1ufn n LEU 86 Cb 0.65 -0.53 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 1ufn n LEU 86 CO 0.28 0.78 -0.28 -0.22 -1.33 0.00 0.00 177.39 176.62 1ufn s LEU 87 N -6.07 3.75 -0.03 2.23 2.96 -1.05 -4.74 118.68 115.73 1ufn s LEU 87 Ca -0.25 0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 53.81 1ufn s LEU 87 Cb 0.07 -1.93 -0.28 0.00 0.50 0.00 0.00 46.19 44.55 1ufn s LEU 87 CO 0.54 0.36 0.75 2.19 -1.32 0.00 0.00 176.35 178.87 1ufn h PHE 88 N 4.93 0.46 -6.42 5.38 -0.00 -1.93 -3.37 116.94 115.99 1ufn h PHE 88 Ca -0.51 -0.34 -0.49 0.00 -0.00 0.00 0.00 57.97 56.63 1ufn h PHE 88 Cb 1.20 -0.02 -0.07 0.00 -0.00 0.00 0.00 35.95 37.06 1ufn h PHE 88 CO 0.65 1.45 -0.82 0.45 -0.00 0.00 0.00 178.31 180.04 1ufn n SER 89 N -3.44 -2.78 -0.03 -0.68 2.88 -1.26 -4.62 113.62 103.68 1ufn n SER 89 Ca -0.20 -0.90 0.00 0.00 -1.33 0.00 0.00 58.87 56.45 1ufn n SER 89 Cb 1.05 -3.45 -0.00 0.00 -0.75 0.00 0.00 64.21 61.06 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 -2.01 0.00 0.46 0.00 -1.26 -4.29 105.19 96.42 1ufn n GLY 90 Ca -0.09 -1.49 0.06 0.00 0.00 0.00 0.00 46.02 44.51 1ufn n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ufn n PRO 91 N -2.50 0.49 -1.49 1.61 -0.04 -1.26 -4.79 135.00 127.01 1ufn n PRO 91 Ca -0.00 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.01 1ufn n PRO 91 Cb 0.02 -1.40 -0.07 0.00 -0.04 0.00 0.00 33.50 32.00 1ufn n PRO 91 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ufn n SER 92 N -0.90 1.93 -4.77 3.54 3.41 -1.26 -4.89 113.62 110.68 1ufn n SER 92 Ca 0.09 0.10 -0.39 0.00 -0.26 0.00 0.00 58.87 58.41 1ufn n SER 92 Cb 0.04 -1.31 -0.03 0.00 -0.26 0.00 0.00 64.21 62.65 1ufn n SER 92 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ufn s SER 93 N 9.04 6.85 0.00 4.04 0.15 -1.26 -5.05 113.70 127.47 1ufn s SER 93 Ca 1.11 2.37 0.00 0.00 0.70 0.00 0.00 55.95 60.12 1ufn s SER 93 Cb -0.71 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 60.98 1ufn s SER 93 CO 0.42 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 175.02