#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 -1.78 -5.03 1.61 0.02 -2.15 -3.44 113.55 102.78 1ufn h SER 2 Ca 0.00 0.25 -0.06 0.00 -0.84 0.00 0.00 61.79 61.15 1ufn h SER 2 Cb 0.00 0.76 -0.15 0.00 0.14 0.00 0.00 62.40 63.15 1ufn h SER 2 CO 0.00 -0.27 0.00 -0.44 -1.14 0.00 0.00 176.83 174.98 1ufn s SER 3 N -4.99 -0.38 0.00 3.07 0.01 -1.26 -5.11 113.70 105.04 1ufn s SER 3 Ca -0.11 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1ufn s SER 3 Cb 0.09 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.80 1ufn s SER 3 CO 0.54 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1ufn n GLY 4 N 0.22 -1.86 3.65 3.44 0.00 -1.26 -5.17 105.19 104.21 1ufn n GLY 4 Ca -0.18 0.82 -0.32 0.00 0.00 0.00 0.00 46.02 46.35 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 4.89 0.16 1.61 0.15 -1.26 -5.11 113.70 114.15 1ufn s SER 5 Ca 0.00 -0.10 -0.05 0.00 0.70 0.00 0.00 55.95 56.50 1ufn s SER 5 Cb 0.00 -1.20 -0.03 0.00 -1.71 0.00 0.00 66.02 63.09 1ufn s SER 5 CO 0.00 0.26 0.18 -0.55 1.20 0.00 0.00 173.24 174.33 1ufn s SER 6 N -1.67 0.16 -0.20 5.45 0.15 -1.26 -5.15 113.70 111.19 1ufn s SER 6 Ca 0.20 -1.08 0.01 0.00 0.70 0.00 0.00 55.95 55.77 1ufn s SER 6 Cb -0.11 0.38 0.04 0.00 -1.71 0.00 0.00 66.02 64.61 1ufn s SER 6 CO 0.11 -0.83 -0.12 -0.83 1.20 0.00 0.00 173.24 172.77 1ufn s GLY 7 N -3.03 1.30 0.10 9.45 0.00 -1.26 -5.12 107.32 108.76 1ufn s GLY 7 Ca 0.23 -1.23 0.09 0.00 0.00 0.00 0.00 44.72 43.81 1ufn s GLY 7 CO 0.03 0.62 -0.18 -1.31 0.00 0.00 0.00 173.10 172.26 1ufn s ASN 8 N 1.36 3.85 0.01 1.64 -0.87 -1.26 -5.02 114.94 114.66 1ufn s ASN 8 Ca -0.01 -0.53 0.23 0.00 -1.57 0.00 0.00 52.86 50.98 1ufn s ASN 8 Cb -0.16 -0.55 0.06 0.00 -0.02 0.00 0.00 41.25 40.58 1ufn s ASN 8 CO -0.09 0.20 1.08 0.47 -2.57 0.00 0.00 177.10 176.19 1ufn n ASP 9 N 0.99 0.71 -3.67 -1.22 9.92 -1.26 -4.83 116.55 117.19 1ufn n ASP 9 Ca -0.16 -0.53 -0.22 0.00 -0.53 0.00 0.00 54.79 53.35 1ufn n ASP 9 Cb 0.53 0.75 -0.18 0.00 -0.64 0.00 0.00 41.12 41.58 1ufn n ASP 9 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ufn s ALA 10 N -3.07 0.33 0.27 2.24 0.00 -1.26 -5.02 121.76 115.25 1ufn s ALA 10 Ca 0.07 0.03 -0.04 0.00 0.00 0.00 0.00 51.96 52.02 1ufn s ALA 10 Cb 0.16 -0.73 0.33 0.00 0.00 0.00 0.00 23.12 22.88 1ufn s ALA 10 CO 0.80 -0.65 1.94 -0.24 0.00 0.00 0.00 175.76 177.61 1ufn h VAL 11 N 6.43 1.24 -0.73 0.00 3.04 -1.97 -1.84 116.25 122.42 1ufn h VAL 11 Ca -0.13 -0.44 0.21 0.00 -1.01 0.00 0.00 66.70 65.33 1ufn h VAL 11 Cb 1.13 -0.14 -0.03 0.00 -2.01 0.00 0.00 31.29 30.24 1ufn h VAL 11 CO 0.19 0.23 0.88 -0.78 -1.01 0.00 0.00 177.57 177.09 1ufn h ASP 12 N 1.27 0.00 -0.77 3.17 1.82 -1.94 -0.96 116.42 119.02 1ufn h ASP 12 Ca 0.34 0.00 0.15 0.00 -0.39 0.00 0.00 57.03 57.13 1ufn h ASP 12 Cb -0.15 0.00 -0.14 0.00 0.68 0.00 0.00 39.33 39.72 1ufn h ASP 12 CO -0.07 0.00 -0.25 0.15 -1.61 0.00 0.00 179.24 177.45 1ufn h PHE 13 N 0.00 -0.62 -2.65 0.28 3.57 -1.71 -3.38 116.94 112.43 1ufn h PHE 13 Ca 0.35 0.08 -0.54 0.00 3.53 0.00 0.00 57.97 61.38 1ufn h PHE 13 Cb 2.10 0.39 0.01 0.00 2.79 0.00 0.00 35.95 41.24 1ufn h PHE 13 CO 0.00 -0.36 1.04 -1.12 -2.23 0.00 0.00 178.31 175.64 1ufn s SER 14 N -5.24 6.62 0.00 0.41 0.01 -0.37 -4.86 113.70 110.28 1ufn s SER 14 Ca -0.14 2.40 0.11 0.00 1.31 0.00 0.00 55.95 59.63 1ufn s SER 14 Cb 0.21 -2.55 0.67 0.00 0.21 0.00 0.00 66.02 64.56 1ufn s SER 14 CO 0.74 -0.90 1.10 -0.81 0.41 0.00 0.00 173.24 173.77 1ufn n PRO 15 N 6.25 0.49 -4.76 12.44 -0.04 -1.26 -4.66 135.00 143.46 1ufn n PRO 15 Ca 0.16 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.38 1ufn n PRO 15 Cb 0.41 -1.36 -0.15 0.00 -0.04 0.00 0.00 33.50 32.37 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 1.43 -0.02 0.52 -4.23 -1.26 -1.02 115.64 109.07 1ufn s THR 16 Ca 0.17 -0.87 0.02 0.00 -1.18 0.00 0.00 61.69 59.83 1ufn s THR 16 Cb 0.08 -1.21 0.00 0.00 1.34 0.00 0.00 72.50 72.71 1ufn s THR 16 CO 0.13 0.32 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.69 1ufn s LEU 17 N -0.64 1.86 -0.27 4.79 1.43 0.68 -4.95 118.68 121.58 1ufn s LEU 17 Ca 0.06 -0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 52.73 1ufn s LEU 17 Cb -0.07 -0.44 -0.02 0.00 0.03 0.00 0.00 46.19 45.69 1ufn s LEU 17 CO 0.00 0.07 1.65 -2.16 0.23 0.00 0.00 176.35 176.13 1ufn s PRO 18 N 0.07 3.63 0.10 1.29 0.04 -1.26 0.05 135.00 138.92 1ufn s PRO 18 Ca -0.01 1.51 0.08 0.00 0.04 0.00 0.00 61.00 62.63 1ufn s PRO 18 Cb -0.06 -4.08 -0.04 0.00 0.04 0.00 0.00 34.50 30.36 1ufn s PRO 18 CO -0.00 -1.49 -0.16 0.14 0.04 0.00 0.00 177.00 175.52 1ufn s VAL 19 N 5.74 2.94 -0.12 -0.36 -7.23 -0.92 -3.89 120.40 116.55 1ufn s VAL 19 Ca 0.73 -1.41 -0.07 0.00 -1.81 0.00 0.00 61.98 59.42 1ufn s VAL 19 Cb -0.23 -2.34 0.05 0.00 0.56 0.00 0.00 36.38 34.42 1ufn s VAL 19 CO 0.31 0.14 0.29 0.42 -0.31 0.00 0.00 175.10 175.95 1ufn s THR 20 N -1.12 -0.03 -0.24 5.32 -4.23 -0.37 -0.86 115.64 114.11 1ufn s THR 20 Ca 0.18 0.12 0.01 0.00 -1.18 0.00 0.00 61.69 60.82 1ufn s THR 20 Cb -0.11 -0.45 0.06 0.00 1.34 0.00 0.00 72.50 73.35 1ufn s THR 20 CO 0.10 0.05 -0.05 0.00 -0.54 0.00 0.00 174.62 174.18 1ufn n GLY 22 N 4.66 0.84 1.11 0.00 0.00 -1.26 0.10 105.19 110.63 1ufn n GLY 22 Ca -0.11 0.56 0.08 0.00 0.00 0.00 0.00 46.02 46.54 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 3.27 -4.45 1.61 2.85 -1.26 -4.96 118.16 115.21 1ufn n LYS 23 Ca 0.00 -2.63 -0.31 0.00 -1.05 0.00 0.00 58.31 54.31 1ufn n LYS 23 Cb 0.00 -1.70 -0.11 0.00 -0.65 0.00 0.00 35.03 32.58 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 -1.89 2.95 -0.01 0.58 0.00 0.12 -4.90 121.76 118.60 1ufn s ALA 24 Ca 0.40 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1ufn s ALA 24 Cb 0.27 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 22.37 1ufn s ALA 24 CO 0.17 0.61 -0.03 0.15 0.00 0.00 0.00 175.76 176.67 1ufn s LYS 25 N -1.57 0.33 0.00 0.00 1.02 -1.26 -0.62 119.74 117.64 1ufn s LYS 25 Ca 0.18 -0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.09 1ufn s LYS 25 Cb -0.11 -0.38 0.00 0.00 -0.52 0.00 0.00 37.83 36.82 1ufn s LYS 25 CO 0.08 0.01 0.00 0.41 -0.92 0.00 0.00 175.35 174.93 1ufn n GLY 26 N 3.38 3.18 3.16 -3.33 0.00 -0.03 -3.84 105.19 107.70 1ufn n GLY 26 Ca -0.18 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.56 -0.22 0.03 2.61 2.01 -0.66 -2.17 115.64 115.68 1ufn s THR 27 Ca 0.00 0.16 -0.22 0.00 0.31 0.00 0.00 61.69 61.94 1ufn s THR 27 Cb 0.00 -0.53 -0.06 0.00 0.01 0.00 0.00 72.50 71.93 1ufn s THR 27 CO 0.00 0.07 0.65 -0.22 -0.69 0.00 0.00 174.62 174.42 1ufn s LEU 28 N 1.79 4.46 -0.40 4.42 2.96 0.11 -1.56 118.68 130.45 1ufn s LEU 28 Ca -0.06 1.29 -0.04 0.00 -0.22 0.00 0.00 54.13 55.10 1ufn s LEU 28 Cb -0.10 -3.02 0.10 0.00 0.50 0.00 0.00 46.19 43.66 1ufn s LEU 28 CO -0.11 0.12 0.19 -0.36 -1.32 0.00 0.00 176.35 174.87 1ufn s PHE 29 N -0.38 3.50 0.35 5.38 0.40 -1.07 -0.23 117.98 125.93 1ufn s PHE 29 Ca 0.33 -2.19 0.16 0.00 -0.60 0.00 0.00 56.93 54.63 1ufn s PHE 29 Cb -0.19 -3.06 1.14 0.00 0.51 0.00 0.00 43.02 41.42 1ufn s PHE 29 CO 0.20 -0.93 1.63 1.96 0.70 0.00 0.00 175.22 178.77 1ufn h GLN 30 N 8.12 0.20 -0.68 0.44 4.20 -1.44 0.80 115.11 126.76 1ufn h GLN 30 Ca -0.16 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.55 1ufn h GLN 30 Cb 1.06 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.76 1ufn h GLN 30 CO 0.69 0.13 0.44 1.49 -0.67 0.00 0.00 178.83 180.92 1ufn h GLU 31 N 0.21 0.87 0.00 1.46 4.81 -1.94 0.14 114.58 120.13 1ufn h GLU 31 Ca 0.76 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.94 1ufn h GLU 31 Cb 1.82 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 31.00 1ufn h GLU 31 CO -0.67 0.57 -0.09 0.87 -0.73 0.00 0.00 179.01 178.96 1ufn h LYS 32 N 0.89 0.00 0.03 1.92 1.57 0.05 -3.24 116.57 117.78 1ufn h LYS 32 Ca 0.25 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.77 1ufn h LYS 32 Cb -0.07 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1ufn h LYS 32 CO -0.07 0.00 -1.38 1.25 -0.57 0.00 0.00 179.45 178.68 1ufn h LEU 33 N 0.00 0.09 -0.64 2.94 5.85 0.57 -3.35 115.31 120.77 1ufn h LEU 33 Ca 0.00 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.65 1ufn h LEU 33 Cb 0.78 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.72 1ufn h LEU 33 CO 0.00 1.11 0.34 0.11 -0.34 0.00 0.00 178.44 179.66 1ufn h LYS 34 N 0.02 0.60 -0.53 1.25 1.57 -0.79 -2.20 116.57 116.49 1ufn h LYS 34 Ca -0.16 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1ufn h LYS 34 Cb 1.91 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 34.02 1ufn h LYS 34 CO 0.12 0.40 0.17 1.96 -0.57 0.00 0.00 179.45 181.53 1ufn h GLN 35 N 0.62 0.33 0.00 3.15 4.20 -1.70 -3.46 115.11 118.24 1ufn h GLN 35 Ca 0.29 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1ufn h GLN 35 Cb 0.21 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1ufn h GLN 35 CO -0.20 0.22 0.00 0.41 -0.67 0.00 0.00 178.83 178.59 1ufn n GLY 36 N -1.28 2.49 0.47 3.46 0.00 -0.83 -4.97 105.19 104.53 1ufn n GLY 36 Ca 0.06 0.20 0.35 0.00 0.00 0.00 0.00 46.02 46.63 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 2.73 -0.88 4.61 0.00 -1.87 0.84 119.26 124.69 1ufn h ALA 37 Ca 0.00 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1ufn h ALA 37 Cb 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1ufn h ALA 37 CO 0.00 -1.28 0.57 0.66 0.00 0.00 0.00 179.25 179.20 1ufn h SER 38 N 0.14 0.92 -4.00 0.00 4.64 -1.94 -2.67 113.55 110.64 1ufn h SER 38 Ca 0.76 -0.01 -0.53 0.00 -0.47 0.00 0.00 61.79 61.55 1ufn h SER 38 Cb 2.39 -0.21 0.09 0.00 -0.31 0.00 0.00 62.40 64.37 1ufn h SER 38 CO -0.33 0.62 0.55 -0.54 -0.87 0.00 0.00 176.83 176.26 1ufn s LYS 39 N -5.91 3.61 -0.35 4.77 3.01 0.29 -4.55 119.74 120.60 1ufn s LYS 39 Ca -0.11 2.01 -0.28 0.00 -1.01 0.00 0.00 55.97 56.58 1ufn s LYS 39 Cb 0.19 -2.44 -0.04 0.00 -1.01 0.00 0.00 37.83 34.53 1ufn s LYS 39 CO 0.80 -0.75 2.06 0.15 0.51 0.00 0.00 175.35 178.12 1ufn s LYS 40 N -2.66 2.96 -0.01 1.68 -0.14 -1.26 -4.33 119.74 115.98 1ufn s LYS 40 Ca 0.65 1.53 0.02 0.00 -1.36 0.00 0.00 55.97 56.81 1ufn s LYS 40 Cb -0.35 -4.35 -0.03 0.00 -1.68 0.00 0.00 37.83 31.42 1ufn s LYS 40 CO 0.42 -2.30 0.04 0.00 -0.76 0.00 0.00 175.35 172.76 1ufn s ILE 42 N -2.13 4.84 -0.27 0.00 1.01 -0.81 -2.59 121.20 121.25 1ufn s ILE 42 Ca -0.01 0.52 -0.11 0.00 0.00 0.00 0.00 60.65 61.06 1ufn s ILE 42 Cb 0.01 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 1ufn s ILE 42 CO 0.09 -0.41 0.18 -1.58 0.00 0.00 0.00 174.94 173.22 1ufn s GLN 43 N 2.81 3.97 0.97 2.79 0.74 -0.60 0.13 119.66 130.47 1ufn s GLN 43 Ca 0.25 -0.31 -0.15 0.00 0.05 0.00 0.00 55.36 55.20 1ufn s GLN 43 Cb -0.14 -3.62 0.18 0.00 1.10 0.00 0.00 33.01 30.53 1ufn s GLN 43 CO 0.16 -0.12 1.19 0.54 -0.55 0.00 0.00 175.29 176.51 1ufn s ASN 44 N 1.58 2.98 0.61 6.67 2.20 -0.94 -1.66 114.94 126.38 1ufn s ASN 44 Ca 0.07 0.69 0.32 0.00 -0.94 0.00 0.00 52.86 53.00 1ufn s ASN 44 Cb -0.15 -1.05 1.89 0.00 -2.00 0.00 0.00 41.25 39.94 1ufn s ASN 44 CO 0.09 -2.85 2.23 -0.33 -2.94 0.00 0.00 177.10 173.30 1ufn h GLU 45 N -1.71 0.00 0.00 3.55 4.39 -1.91 0.21 114.58 119.11 1ufn h GLU 45 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1ufn h GLU 45 Cb 1.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1ufn h GLU 45 CO 0.50 0.00 -0.03 0.00 -1.16 0.00 0.00 179.01 178.32 1ufn n ALA 46 N -2.27 2.37 0.00 3.43 0.00 -1.26 -4.91 120.51 117.87 1ufn n ALA 46 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1ufn n ALA 46 Cb 0.14 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 1.42 3.38 3.65 0.00 0.00 0.74 -5.03 105.19 109.36 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 -1.02 6.60 0.61 1.61 1.01 -1.26 -4.59 116.67 119.63 1ufn s ASP 48 Ca 0.00 2.09 -0.16 0.00 0.71 0.00 0.00 52.55 55.19 1ufn s ASP 48 Cb 0.00 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 1ufn s ASP 48 CO 0.00 -1.00 1.08 0.26 0.21 0.00 0.00 175.17 175.71 1ufn s TRP 49 N 4.33 2.84 -0.03 4.23 0.52 -1.26 -2.22 118.94 127.36 1ufn s TRP 49 Ca 0.73 1.53 -0.05 0.00 0.02 0.00 0.00 56.10 58.33 1ufn s TRP 49 Cb -0.31 -3.08 0.01 0.00 -1.15 0.00 0.00 33.47 28.94 1ufn s TRP 49 CO 0.29 -1.34 0.12 -0.51 0.02 0.00 0.00 176.95 175.53 1ufn s LEU 50 N -4.58 1.59 0.42 2.99 1.43 0.35 -4.93 118.68 115.95 1ufn s LEU 50 Ca 0.65 0.06 -0.24 0.00 -1.03 0.00 0.00 54.13 53.57 1ufn s LEU 50 Cb -0.18 0.47 -0.08 0.00 0.03 0.00 0.00 46.19 46.43 1ufn s LEU 50 CO 0.38 -0.16 1.12 0.42 0.23 0.00 0.00 176.35 178.34 1ufn s THR 51 N -0.47 3.38 0.36 5.49 -4.23 -1.26 -1.93 115.64 116.98 1ufn s THR 51 Ca -0.05 1.08 0.31 0.00 -1.18 0.00 0.00 61.69 61.84 1ufn s THR 51 Cb -0.04 -3.57 0.46 0.00 1.34 0.00 0.00 72.50 70.70 1ufn s THR 51 CO 0.00 0.03 1.11 0.52 -0.54 0.00 0.00 174.62 175.74 1ufn n VAL 52 N -0.15 -0.07 -0.06 2.29 0.31 -1.01 0.40 118.33 120.05 1ufn n VAL 52 Ca 0.05 1.15 -0.02 0.00 -0.01 0.00 0.00 64.34 65.51 1ufn n VAL 52 Cb 0.48 -1.90 -0.02 0.00 -0.91 0.00 0.00 33.84 31.50 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 -0.85 5.55 1.63 -1.89 -3.35 116.57 117.66 1ufn h LYS 53 Ca 0.65 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 60.54 1ufn h LYS 53 Cb 2.44 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 33.95 1ufn h LYS 53 CO -0.13 0.10 -0.56 0.93 -3.45 0.00 0.00 179.45 176.33 1ufn h GLU 54 N -1.00 -0.10 -0.88 1.90 5.08 -0.40 0.23 114.58 119.42 1ufn h GLU 54 Ca -0.01 0.01 0.23 0.00 -1.00 0.00 0.00 59.36 58.59 1ufn h GLU 54 Cb 0.20 0.02 -0.16 0.00 0.50 0.00 0.00 28.75 29.31 1ufn h GLU 54 CO -0.00 -0.07 -0.03 0.34 -1.00 0.00 0.00 179.01 178.25 1ufn n PHE 55 N -5.30 0.51 0.18 4.33 7.35 -0.67 0.52 117.46 124.37 1ufn n PHE 55 Ca 0.01 1.06 -0.15 0.00 -0.76 0.00 0.00 57.45 57.62 1ufn n PHE 55 Cb 0.29 -1.13 -0.08 0.00 0.35 0.00 0.00 39.48 38.91 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 -0.33 -1.02 -2.13 3.38 -0.70 -2.63 115.31 111.88 1ufn h LEU 56 Ca 0.51 -0.01 0.26 0.00 0.09 0.00 0.00 57.88 58.74 1ufn h LEU 56 Cb 1.01 0.09 -0.13 0.00 0.09 0.00 0.00 40.66 41.72 1ufn h LEU 56 CO -0.84 -0.22 0.60 0.78 0.09 0.00 0.00 178.44 178.85 1ufn h ASN 57 N -0.41 0.64 -0.44 -0.43 4.21 0.49 0.64 115.58 120.27 1ufn h ASN 57 Ca -0.04 0.14 0.05 0.00 1.21 0.00 0.00 56.30 57.66 1ufn h ASN 57 Cb 0.32 0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.54 1ufn h ASN 57 CO 0.07 0.06 0.30 -0.33 -1.29 0.00 0.00 177.43 176.23 1ufn h GLU 58 N 0.52 0.41 0.17 0.81 5.08 -0.94 -2.25 114.58 118.37 1ufn h GLU 58 Ca 0.66 -0.02 -0.29 0.00 -1.00 0.00 0.00 59.36 58.70 1ufn h GLU 58 Cb 1.33 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.50 1ufn h GLU 58 CO -0.49 0.27 -1.33 0.78 -1.00 0.00 0.00 179.01 177.24 1ufn h GLY 59 N 0.42 0.40 0.00 -3.84 0.00 0.30 -3.43 103.07 96.91 1ufn h GLY 59 Ca 0.19 -1.03 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1ufn h GLY 59 CO -0.05 0.90 0.00 0.61 0.00 0.00 0.00 176.54 178.00 1ufn n GLY 60 N 1.59 -0.23 2.75 4.60 0.00 -0.67 -4.24 105.19 109.00 1ufn n GLY 60 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 1ufn n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ufn s ARG 61 N 0.00 0.76 -0.21 1.61 0.52 -1.09 -4.96 118.95 115.57 1ufn s ARG 61 Ca 0.00 -0.97 0.05 0.00 -0.52 0.00 0.00 55.73 54.28 1ufn s ARG 61 Cb 0.00 -2.04 -0.16 0.00 0.52 0.00 0.00 34.95 33.27 1ufn s ARG 61 CO 0.00 -0.91 -0.14 0.00 0.02 0.00 0.00 175.30 174.27 1ufn n ALA 62 N 4.87 1.54 0.32 2.13 0.00 -1.26 -2.92 120.51 125.19 1ufn n ALA 62 Ca -0.04 -0.97 0.15 0.00 0.00 0.00 0.00 53.44 52.59 1ufn n ALA 62 Cb 0.43 -0.03 0.65 0.00 0.00 0.00 0.00 19.45 20.50 1ufn n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ufn h THR 63 N 0.00 0.00 -1.14 0.00 1.03 -1.98 -3.44 112.91 107.39 1ufn h THR 63 Ca -0.48 -0.36 -0.62 0.00 -0.01 0.00 0.00 66.41 64.94 1ufn h THR 63 Cb 1.82 1.24 -0.02 0.00 -1.07 0.00 0.00 68.15 70.12 1ufn h THR 63 CO -0.05 0.00 1.48 -1.54 -0.01 0.00 0.00 175.52 175.40 1ufn n SER 64 N -2.74 2.09 0.08 0.00 3.41 -1.26 -4.86 113.62 110.34 1ufn n SER 64 Ca 0.01 0.25 -0.03 0.00 -0.26 0.00 0.00 58.87 58.84 1ufn n SER 64 Cb 0.25 -1.30 -0.01 0.00 -0.26 0.00 0.00 64.21 62.89 1ufn n SER 64 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1ufn h LYS 65 N 13.52 -0.19 -6.33 4.33 1.79 -1.97 -3.40 116.57 124.32 1ufn h LYS 65 Ca -0.26 0.01 -0.56 0.00 -2.18 0.00 0.00 60.65 57.67 1ufn h LYS 65 Cb 1.31 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.96 1ufn h LYS 65 CO 1.06 -0.13 1.20 0.16 -1.08 0.00 0.00 179.45 180.66 1ufn s ASP 66 N -2.44 5.98 0.11 0.86 -4.77 -1.26 -4.86 116.67 110.29 1ufn s ASP 66 Ca -0.03 0.87 -0.05 0.00 -3.30 0.00 0.00 52.55 50.05 1ufn s ASP 66 Cb 0.00 -2.53 -0.15 0.00 -1.09 0.00 0.00 42.92 39.15 1ufn s ASP 66 CO 0.09 -1.72 1.25 4.11 0.70 0.00 0.00 175.17 179.61 1ufn h TRP 67 N 12.22 0.59 0.00 2.11 5.08 -1.93 -3.13 115.95 130.89 1ufn h TRP 67 Ca -0.30 -0.35 0.00 0.00 1.08 0.00 0.00 58.89 59.32 1ufn h TRP 67 Cb 1.14 -0.05 0.00 0.00 -3.00 0.00 0.00 29.16 27.24 1ufn h TRP 67 CO 0.98 1.20 0.00 0.87 -1.28 0.00 0.00 178.44 180.21 1ufn h LYS 68 N 0.19 0.00 0.07 0.12 1.57 -1.89 0.88 116.57 117.50 1ufn h LYS 68 Ca -0.10 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.45 1ufn h LYS 68 Cb 1.70 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.99 1ufn h LYS 68 CO 0.18 0.00 -1.20 0.78 -0.57 0.00 0.00 179.45 178.64 1ufn h GLY 69 N 0.00 0.16 2.00 3.86 0.00 -1.95 -3.05 103.07 104.09 1ufn h GLY 69 Ca 0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 47.33 46.80 1ufn h GLY 69 CO 0.00 0.36 -0.57 -0.39 0.00 0.00 0.00 176.54 175.95 1ufn h VAL 70 N -0.58 1.36 -3.37 4.60 -1.51 -1.45 -3.43 116.25 111.86 1ufn h VAL 70 Ca -0.28 -1.97 -0.58 0.00 -1.23 0.00 0.00 66.70 62.64 1ufn h VAL 70 Cb 1.54 2.08 -0.07 0.00 -2.13 0.00 0.00 31.29 32.70 1ufn h VAL 70 CO -0.02 0.55 0.10 -0.63 -1.23 0.00 0.00 177.57 176.34 1ufn s ILE 71 N -3.66 5.04 -0.11 7.19 1.01 0.26 -4.44 121.20 126.50 1ufn s ILE 71 Ca -0.01 1.30 0.02 0.00 0.00 0.00 0.00 60.65 61.95 1ufn s ILE 71 Cb 0.13 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 1ufn s ILE 71 CO 0.75 0.18 -0.16 -0.13 0.00 0.00 0.00 174.94 175.58 1ufn s ARG 72 N 1.36 3.12 -0.30 2.79 0.52 0.39 -3.19 118.95 123.64 1ufn s ARG 72 Ca 0.33 -0.74 -0.01 0.00 -0.52 0.00 0.00 55.73 54.79 1ufn s ARG 72 Cb -0.16 -2.50 0.05 0.00 0.52 0.00 0.00 34.95 32.86 1ufn s ARG 72 CO 0.13 0.29 -0.01 0.00 0.02 0.00 0.00 175.30 175.73 1ufn n ASN 74 N 4.60 -4.64 0.00 0.00 5.03 -1.25 -1.85 115.26 117.15 1ufn n ASN 74 Ca -0.13 -0.09 0.00 0.00 0.87 0.00 0.00 54.58 55.23 1ufn n ASN 74 Cb 0.43 -3.67 0.00 0.00 -1.02 0.00 0.00 39.78 35.52 1ufn n ASN 74 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ufn n GLY 75 N -1.13 1.86 3.27 7.41 0.00 -1.26 -5.01 105.19 110.32 1ufn n GLY 75 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.34 3.19 0.39 1.61 8.01 -0.77 -5.06 118.70 125.73 1ufn s GLU 76 Ca 0.00 -0.78 -0.27 0.00 0.01 0.00 0.00 54.97 53.92 1ufn s GLU 76 Cb 0.00 -2.51 -0.10 0.00 -4.31 0.00 0.00 34.13 27.21 1ufn s GLU 76 CO 0.00 0.11 1.47 0.95 0.01 0.00 0.00 175.26 177.81 1ufn s THR 77 N 0.55 2.06 0.27 3.63 -4.23 -1.26 0.14 115.64 116.80 1ufn s THR 77 Ca -0.11 0.06 -0.06 0.00 -1.18 0.00 0.00 61.69 60.39 1ufn s THR 77 Cb -0.16 -3.04 0.37 0.00 1.34 0.00 0.00 72.50 71.01 1ufn s THR 77 CO 0.04 0.01 1.59 -0.07 -0.54 0.00 0.00 174.62 175.65 1ufn h LEU 78 N 2.85 -0.64 -0.90 4.79 3.38 -1.49 0.60 115.31 123.89 1ufn h LEU 78 Ca -0.51 0.25 0.20 0.00 0.09 0.00 0.00 57.88 57.91 1ufn h LEU 78 Cb 1.25 0.49 -0.11 0.00 0.09 0.00 0.00 40.66 42.37 1ufn h LEU 78 CO 0.63 -0.28 0.45 -0.09 0.09 0.00 0.00 178.44 179.24 1ufn h ARG 79 N 0.02 0.51 0.07 1.13 2.43 -1.88 -0.13 114.38 116.53 1ufn h ARG 79 Ca 0.47 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1ufn h ARG 79 Cb 0.81 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1ufn h ARG 79 CO -0.86 0.34 -0.04 1.25 -1.51 0.00 0.00 179.97 179.15 1ufn h HIS 80 N 0.52 -0.09 -0.64 2.20 2.76 -0.13 -2.22 115.15 117.56 1ufn h HIS 80 Ca 0.54 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.74 1ufn h HIS 80 Cb 0.93 0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.87 1ufn h HIS 80 CO -0.10 -0.05 0.39 -0.07 -1.30 0.00 0.00 177.93 176.80 1ufn h LEU 81 N -0.11 0.63 -0.70 0.26 3.38 -0.87 -2.29 115.31 115.61 1ufn h LEU 81 Ca -0.01 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1ufn h LEU 81 Cb 0.09 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 1ufn h LEU 81 CO 0.02 0.43 0.36 -0.08 0.09 0.00 0.00 178.44 179.26 1ufn h GLU 82 N 0.76 0.60 -0.67 1.13 4.81 -0.85 0.56 114.58 120.92 1ufn h GLU 82 Ca 0.26 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1ufn h GLU 82 Cb 0.04 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1ufn h GLU 82 CO -0.11 0.40 0.44 1.96 -0.73 0.00 0.00 179.01 180.97 1ufn h GLN 83 N 0.62 0.85 -0.41 1.92 4.20 -0.84 0.22 115.11 121.68 1ufn h GLN 83 Ca 0.34 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1ufn h GLN 83 Cb 0.32 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1ufn h GLN 83 CO -0.25 0.57 0.00 1.63 -0.67 0.00 0.00 178.83 180.11 1ufn n LYS 84 N -4.44 1.52 -2.86 1.46 5.02 -0.36 -4.86 118.16 113.64 1ufn n LYS 84 Ca 0.07 -0.61 -0.20 0.00 -2.02 0.00 0.00 58.31 55.56 1ufn n LYS 84 Cb 0.06 -1.30 0.03 0.00 -0.02 0.00 0.00 35.03 33.79 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 0.55 -0.40 0.07 0.72 0.00 0.06 -4.89 105.19 101.30 1ufn n GLY 85 Ca 0.06 0.02 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.52 1.57 -4.08 0.99 4.77 0.05 -4.91 117.00 111.88 1ufn n LEU 86 Ca -0.12 -0.04 -0.33 0.00 -0.03 0.00 0.00 56.01 55.49 1ufn n LEU 86 Cb 0.62 -0.14 -0.14 0.00 -2.33 0.00 0.00 43.42 41.43 1ufn n LEU 86 CO 0.40 0.53 -0.36 -0.22 -1.33 0.00 0.00 177.39 176.41 1ufn s LEU 87 N -5.39 4.22 0.32 2.23 0.20 -1.14 -4.56 118.68 114.57 1ufn s LEU 87 Ca -0.13 -1.72 0.02 0.00 0.69 0.00 0.00 54.13 52.98 1ufn s LEU 87 Cb 0.04 -1.64 0.58 0.00 -0.43 0.00 0.00 46.19 44.75 1ufn s LEU 87 CO 0.41 -0.31 1.94 2.19 -0.29 0.00 0.00 176.35 180.28 1ufn h PHE 88 N 7.79 0.95 -6.27 5.38 -0.00 -1.90 -3.29 116.94 119.60 1ufn h PHE 88 Ca -0.13 0.02 -0.46 0.00 -0.00 0.00 0.00 57.97 57.40 1ufn h PHE 88 Cb 1.04 -0.32 -0.01 0.00 -0.00 0.00 0.00 35.95 36.67 1ufn h PHE 88 CO 0.56 0.52 -0.83 0.45 -0.00 0.00 0.00 178.31 179.01 1ufn n SER 89 N -4.47 -1.80 0.00 -0.68 2.88 -1.26 -4.61 113.62 103.68 1ufn n SER 89 Ca 0.12 -0.87 0.00 0.00 -1.33 0.00 0.00 58.87 56.79 1ufn n SER 89 Cb 0.18 -3.70 0.00 0.00 -0.75 0.00 0.00 64.21 59.94 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 -1.69 -1.37 3.67 0.46 0.00 -1.26 -4.96 105.19 100.03 1ufn n GLY 90 Ca -0.21 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 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 0.35 -0.12 1.61 0.04 -1.26 -5.01 135.00 130.61 1ufn s PRO 91 Ca 0.00 0.50 -0.03 0.00 0.04 0.00 0.00 61.00 61.51 1ufn s PRO 91 Cb 0.00 -1.73 -0.25 0.00 0.04 0.00 0.00 34.50 32.56 1ufn s PRO 91 CO 0.00 -2.78 0.35 -1.13 0.04 0.00 0.00 177.00 173.48 1ufn n SER 92 N -4.21 1.91 -3.88 6.66 3.41 -1.26 -4.99 113.62 111.27 1ufn n SER 92 Ca 0.05 0.21 -0.28 0.00 -0.26 0.00 0.00 58.87 58.58 1ufn n SER 92 Cb 0.57 -0.69 0.02 0.00 -0.26 0.00 0.00 64.21 63.86 1ufn n SER 92 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ufn n SER 93 N -3.39 -3.86 0.00 4.04 7.64 -1.26 -5.24 113.62 111.54 1ufn n SER 93 Ca -0.31 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 58.77 1ufn n SER 93 Cb 1.05 -3.85 0.00 0.00 -1.01 0.00 0.00 64.21 60.39 1ufn n SER 93 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64