#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 6.45 0.26 1.61 0.15 -1.26 -5.03 113.70 115.87 1ufn s SER 2 Ca 0.00 0.18 -0.30 0.00 0.70 0.00 0.00 55.95 56.53 1ufn s SER 2 Cb 0.00 -2.34 -0.10 0.00 -1.71 0.00 0.00 66.02 61.88 1ufn s SER 2 CO 0.00 -0.61 1.31 -0.55 1.20 0.00 0.00 173.24 174.59 1ufn s SER 3 N 1.79 6.85 0.88 5.45 0.15 -1.26 -4.98 113.70 122.59 1ufn s SER 3 Ca 0.25 2.53 -0.12 0.00 0.70 0.00 0.00 55.95 59.31 1ufn s SER 3 Cb -0.14 -2.63 0.08 0.00 -1.71 0.00 0.00 66.02 61.62 1ufn s SER 3 CO 0.15 -0.53 0.84 0.61 1.20 0.00 0.00 173.24 175.52 1ufn n GLY 4 N 1.71 -0.97 3.87 9.45 0.00 -1.26 -4.99 105.19 113.00 1ufn n GLY 4 Ca 0.04 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.18 6.64 -0.05 1.61 1.04 -1.26 -5.09 113.70 114.40 1ufn s SER 5 Ca 0.65 0.80 -0.01 0.00 0.48 0.00 0.00 55.95 57.87 1ufn s SER 5 Cb -0.25 -2.18 -0.03 0.00 0.10 0.00 0.00 66.02 63.66 1ufn s SER 5 CO 0.60 0.13 0.01 -0.44 0.98 0.00 0.00 173.24 174.51 1ufn s SER 6 N -1.90 5.24 0.00 7.02 0.01 -1.26 -5.08 113.70 117.74 1ufn s SER 6 Ca 0.36 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.71 1ufn s SER 6 Cb -0.14 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.65 1ufn s SER 6 CO 0.19 0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.79 1ufn n GLY 7 N 1.80 1.72 3.38 3.44 0.00 -1.26 -5.15 105.19 109.13 1ufn n GLY 7 Ca -0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 45.76 1ufn n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ufn s ASN 8 N 1.00 -0.92 -0.03 1.61 2.47 -1.26 -5.16 114.94 112.65 1ufn s ASN 8 Ca 0.00 1.17 0.06 0.00 0.42 0.00 0.00 52.86 54.51 1ufn s ASN 8 Cb 0.00 1.99 -0.02 0.00 -1.45 0.00 0.00 41.25 41.76 1ufn s ASN 8 CO 0.00 -0.24 -0.20 -1.81 -3.72 0.00 0.00 177.10 171.13 1ufn s ASP 9 N 2.80 3.57 0.35 -4.21 1.11 -1.26 -5.13 116.67 113.91 1ufn s ASP 9 Ca 0.03 -0.34 -0.10 0.00 0.18 0.00 0.00 52.55 52.33 1ufn s ASP 9 Cb -0.13 -0.60 -0.07 0.00 1.07 0.00 0.00 42.92 43.19 1ufn s ASP 9 CO -0.18 0.33 0.70 0.00 1.18 0.00 0.00 175.17 177.20 1ufn s ALA 10 N -0.69 3.42 0.50 5.23 0.00 -1.26 -4.94 121.76 124.01 1ufn s ALA 10 Ca 0.11 -0.24 0.36 0.00 0.00 0.00 0.00 51.96 52.18 1ufn s ALA 10 Cb -0.10 -2.61 1.50 0.00 0.00 0.00 0.00 23.12 21.91 1ufn s ALA 10 CO 0.00 0.14 1.69 -0.39 0.00 0.00 0.00 175.76 177.20 1ufn h VAL 11 N 1.35 0.24 -1.01 0.00 -1.51 -1.91 0.35 116.25 113.76 1ufn h VAL 11 Ca -0.47 -0.03 0.26 0.00 -1.23 0.00 0.00 66.70 65.23 1ufn h VAL 11 Cb 1.18 0.16 -0.12 0.00 -2.13 0.00 0.00 31.29 30.38 1ufn h VAL 11 CO 0.65 0.01 0.61 0.44 -1.23 0.00 0.00 177.57 178.05 1ufn h ASP 12 N 0.08 0.63 0.35 4.19 5.19 -1.90 -1.95 116.42 123.01 1ufn h ASP 12 Ca 0.74 0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 57.26 1ufn h ASP 12 Cb 2.63 0.04 0.00 0.00 0.18 0.00 0.00 39.33 42.19 1ufn h ASP 12 CO -0.16 0.08 -0.17 0.15 -3.12 0.00 0.00 179.24 176.02 1ufn h PHE 13 N 0.53 -0.44 -2.70 4.55 3.04 -0.67 -3.45 116.94 117.81 1ufn h PHE 13 Ca 0.65 -0.01 -0.59 0.00 3.98 0.00 0.00 57.97 62.00 1ufn h PHE 13 Cb 1.32 0.14 0.09 0.00 2.56 0.00 0.00 35.95 40.06 1ufn h PHE 13 CO -0.01 -0.14 0.47 -1.13 -2.02 0.00 0.00 178.31 175.49 1ufn n SER 14 N -5.10 2.36 0.00 0.41 3.41 -0.73 -4.83 113.62 109.13 1ufn n SER 14 Ca -0.08 1.16 0.06 0.00 -0.26 0.00 0.00 58.87 59.75 1ufn n SER 14 Cb 0.25 -1.39 0.33 0.00 -0.26 0.00 0.00 64.21 63.15 1ufn n SER 14 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1ufn n PRO 15 N 1.45 0.49 -5.17 4.33 -0.04 -1.26 -4.67 135.00 130.13 1ufn n PRO 15 Ca 0.10 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.25 1ufn n PRO 15 Cb 0.32 -1.36 -0.15 0.00 -0.04 0.00 0.00 33.50 32.26 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 2.29 -0.02 0.52 -4.23 -1.26 -0.25 115.64 110.70 1ufn s THR 16 Ca 0.17 -1.06 0.02 0.00 -1.18 0.00 0.00 61.69 59.64 1ufn s THR 16 Cb 0.08 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 72.09 1ufn s THR 16 CO 0.13 0.56 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.94 1ufn s LEU 17 N -0.71 1.80 -0.30 4.79 1.43 -0.20 -4.88 118.68 120.61 1ufn s LEU 17 Ca 0.11 -0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 52.79 1ufn s LEU 17 Cb -0.10 -0.40 -0.02 0.00 0.03 0.00 0.00 46.19 45.70 1ufn s LEU 17 CO -0.00 0.05 1.66 -2.16 0.23 0.00 0.00 176.35 176.13 1ufn s PRO 18 N 0.17 3.56 0.27 1.29 0.04 -1.26 -1.22 135.00 137.84 1ufn s PRO 18 Ca -0.02 1.45 0.10 0.00 0.04 0.00 0.00 61.00 62.57 1ufn s PRO 18 Cb -0.07 -4.10 -0.05 0.00 0.04 0.00 0.00 34.50 30.32 1ufn s PRO 18 CO -0.00 -1.58 -0.05 0.14 0.04 0.00 0.00 177.00 175.55 1ufn s VAL 19 N 5.97 3.18 -0.17 -0.36 -7.23 -1.16 -4.18 120.40 116.45 1ufn s VAL 19 Ca 0.74 -2.04 -0.12 0.00 -1.81 0.00 0.00 61.98 58.75 1ufn s VAL 19 Cb -0.22 -2.71 0.05 0.00 0.56 0.00 0.00 36.38 34.06 1ufn s VAL 19 CO 0.32 -0.37 0.42 0.42 -0.31 0.00 0.00 175.10 175.58 1ufn s THR 20 N -2.38 -0.01 -0.27 5.32 -4.23 0.35 -2.52 115.64 111.90 1ufn s THR 20 Ca 0.31 0.05 -0.01 0.00 -1.18 0.00 0.00 61.69 60.86 1ufn s THR 20 Cb -0.06 -0.61 0.09 0.00 1.34 0.00 0.00 72.50 73.26 1ufn s THR 20 CO 0.19 0.02 0.06 0.00 -0.54 0.00 0.00 174.62 174.35 1ufn n GLY 22 N 4.86 1.35 1.24 0.00 0.00 -1.26 -1.14 105.19 110.25 1ufn n GLY 22 Ca -0.05 0.28 0.08 0.00 0.00 0.00 0.00 46.02 46.34 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 3.52 -4.24 1.61 2.85 -1.26 -4.97 118.16 115.66 1ufn n LYS 23 Ca 0.00 -2.78 -0.28 0.00 -1.05 0.00 0.00 58.31 54.20 1ufn n LYS 23 Cb 0.00 -1.83 -0.09 0.00 -0.65 0.00 0.00 35.03 32.46 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 -2.17 3.00 -0.06 0.58 0.00 -0.29 -4.89 121.76 117.92 1ufn s ALA 24 Ca 0.44 -1.35 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 1ufn s ALA 24 Cb 0.31 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.60 1ufn s ALA 24 CO 0.17 0.55 0.14 0.15 0.00 0.00 0.00 175.76 176.76 1ufn s LYS 25 N -2.56 0.13 0.00 0.00 1.02 -1.26 -1.78 119.74 115.29 1ufn s LYS 25 Ca 0.24 0.26 0.00 0.00 0.02 0.00 0.00 55.97 56.48 1ufn s LYS 25 Cb -0.10 -0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.19 1ufn s LYS 25 CO 0.15 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.92 1ufn n GLY 26 N 3.46 3.46 3.12 -3.33 0.00 -1.05 -3.24 105.19 107.61 1ufn n GLY 26 Ca -0.18 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.11 -0.19 -0.08 2.61 2.01 0.22 -2.99 115.64 116.12 1ufn s THR 27 Ca 0.00 0.17 -0.20 0.00 0.31 0.00 0.00 61.69 61.97 1ufn s THR 27 Cb 0.00 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 1ufn s THR 27 CO 0.00 0.07 0.55 -0.22 -0.69 0.00 0.00 174.62 174.33 1ufn s LEU 28 N 1.71 4.32 -0.44 4.42 2.96 -0.36 -0.50 118.68 130.79 1ufn s LEU 28 Ca -0.06 0.97 -0.08 0.00 -0.22 0.00 0.00 54.13 54.74 1ufn s LEU 28 Cb -0.10 -2.82 0.10 0.00 0.50 0.00 0.00 46.19 43.86 1ufn s LEU 28 CO -0.10 0.01 0.29 -0.36 -1.32 0.00 0.00 176.35 174.86 1ufn s PHE 29 N 0.44 3.41 0.40 5.38 0.40 -1.12 -1.03 117.98 125.86 1ufn s PHE 29 Ca 0.29 -1.82 0.25 0.00 -0.60 0.00 0.00 56.93 55.05 1ufn s PHE 29 Cb -0.16 -3.23 1.34 0.00 0.51 0.00 0.00 43.02 41.48 1ufn s PHE 29 CO 0.13 -0.93 1.62 1.96 0.70 0.00 0.00 175.22 178.70 1ufn h GLN 30 N 8.37 0.11 -0.41 0.44 4.20 -0.99 0.89 115.11 127.72 1ufn h GLN 30 Ca -0.21 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.47 1ufn h GLN 30 Cb 1.07 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 1ufn h GLN 30 CO 0.79 0.08 0.15 1.05 -0.67 0.00 0.00 178.83 180.23 1ufn h GLU 31 N 0.12 0.63 -0.00 1.46 4.11 -1.93 0.34 114.58 119.30 1ufn h GLU 31 Ca 0.81 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 60.11 1ufn h GLU 31 Cb 2.31 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.46 1ufn h GLU 31 CO -0.54 0.60 -0.04 1.63 0.07 0.00 0.00 179.01 180.74 1ufn n LYS 32 N -4.61 0.45 -0.10 1.06 5.02 0.28 -3.61 118.16 116.65 1ufn n LYS 32 Ca 0.00 -0.05 -0.19 0.00 -2.02 0.00 0.00 58.31 56.05 1ufn n LYS 32 Cb 0.16 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.55 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 -1.23 2.87 -0.31 -0.35 7.94 0.64 -4.31 117.00 122.25 1ufn n LEU 33 Ca 0.14 -0.04 0.14 0.00 -1.11 0.00 0.00 56.01 55.14 1ufn n LEU 33 Cb 0.26 -0.96 0.38 0.00 0.53 0.00 0.00 43.42 43.63 1ufn n LEU 33 CO 0.24 0.91 1.21 0.07 -1.11 0.00 0.00 177.39 178.71 1ufn h LYS 34 N -0.01 0.65 0.26 1.96 2.10 -0.41 -1.63 116.57 119.48 1ufn h LYS 34 Ca -0.54 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.06 1ufn h LYS 34 Cb 1.92 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 33.11 1ufn h LYS 34 CO -0.05 0.43 -0.13 1.96 -2.00 0.00 0.00 179.45 179.65 1ufn h GLN 35 N 0.67 -0.35 -1.04 0.07 4.20 -1.76 -3.46 115.11 113.44 1ufn h GLN 35 Ca 0.53 0.02 0.25 0.00 0.06 0.00 0.00 58.65 59.51 1ufn h GLN 35 Cb 0.93 0.08 -0.27 0.00 0.30 0.00 0.00 27.48 28.52 1ufn h GLN 35 CO -0.29 -0.23 0.97 0.20 -0.67 0.00 0.00 178.83 178.81 1ufn s GLY 36 N -2.15 0.08 0.00 3.46 0.00 -0.61 -4.99 107.32 103.11 1ufn s GLY 36 Ca -0.15 2.81 0.09 0.00 0.00 0.00 0.00 44.72 47.47 1ufn s GLY 36 CO 0.65 1.08 1.15 0.00 0.00 0.00 0.00 173.10 175.98 1ufn n ALA 37 N 0.48 2.33 -0.06 3.20 0.00 -1.26 -2.68 120.51 122.52 1ufn n ALA 37 Ca 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.36 1ufn n ALA 37 Cb 0.59 -1.14 -0.14 0.00 0.00 0.00 0.00 19.45 18.75 1ufn n ALA 37 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ufn n SER 38 N -0.68 0.70 -4.76 0.00 3.41 -1.26 -3.35 113.62 107.68 1ufn n SER 38 Ca 0.07 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.28 1ufn n SER 38 Cb 0.03 1.20 -0.04 0.00 -0.26 0.00 0.00 64.21 65.14 1ufn n SER 38 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1ufn s LYS 39 N -2.68 4.55 -0.35 4.33 -0.14 -1.09 -4.65 119.74 119.71 1ufn s LYS 39 Ca -0.08 1.75 -0.27 0.00 -1.36 0.00 0.00 55.97 56.01 1ufn s LYS 39 Cb 0.07 -3.08 -0.05 0.00 -1.68 0.00 0.00 37.83 33.09 1ufn s LYS 39 CO 0.73 0.15 2.25 0.15 -0.76 0.00 0.00 175.35 177.87 1ufn s LYS 40 N -1.63 2.72 -0.02 1.68 -0.14 -1.26 -4.40 119.74 116.69 1ufn s LYS 40 Ca 0.47 1.68 0.02 0.00 -1.36 0.00 0.00 55.97 56.77 1ufn s LYS 40 Cb -0.30 -4.44 -0.03 0.00 -1.68 0.00 0.00 37.83 31.38 1ufn s LYS 40 CO 0.39 -2.58 0.02 0.00 -0.76 0.00 0.00 175.35 172.41 1ufn s ILE 42 N -2.07 4.55 -0.24 0.00 1.01 -0.88 -2.81 121.20 120.76 1ufn s ILE 42 Ca -0.01 1.08 -0.10 0.00 0.00 0.00 0.00 60.65 61.62 1ufn s ILE 42 Cb 0.01 -4.37 -0.05 0.00 0.01 0.00 0.00 42.46 38.06 1ufn s ILE 42 CO 0.09 -0.63 0.15 -1.58 0.00 0.00 0.00 174.94 172.97 1ufn s GLN 43 N 3.57 4.05 0.94 2.79 0.74 0.34 0.15 119.66 132.25 1ufn s GLN 43 Ca 0.38 -0.28 -0.15 0.00 0.05 0.00 0.00 55.36 55.36 1ufn s GLN 43 Cb -0.11 -3.52 0.17 0.00 1.10 0.00 0.00 33.01 30.64 1ufn s GLN 43 CO 0.21 0.06 1.22 0.54 -0.55 0.00 0.00 175.29 176.77 1ufn s ASN 44 N 1.05 3.27 0.60 6.67 2.20 -0.47 0.73 114.94 128.99 1ufn s ASN 44 Ca 0.07 0.58 0.31 0.00 -0.94 0.00 0.00 52.86 52.88 1ufn s ASN 44 Cb -0.14 -0.87 1.83 0.00 -2.00 0.00 0.00 41.25 40.07 1ufn s ASN 44 CO 0.04 -2.66 2.23 -0.33 -2.94 0.00 0.00 177.10 173.44 1ufn h GLU 45 N -1.58 0.00 0.00 3.55 5.08 -1.88 0.18 114.58 119.92 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 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1ufn h GLU 45 CO 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.50 1ufn n ALA 46 N -2.30 2.18 0.00 3.43 0.00 -1.26 -4.90 120.51 117.65 1ufn n ALA 46 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.40 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 1.11 2.91 3.71 0.00 0.00 0.62 -5.04 105.19 108.50 1ufn n GLY 47 Ca 0.05 0.00 -0.42 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 -1.18 6.84 0.55 1.61 1.11 -1.26 -4.62 116.67 119.72 1ufn s ASP 48 Ca 0.00 2.28 -0.16 0.00 0.18 0.00 0.00 52.55 54.86 1ufn s ASP 48 Cb 0.00 -2.58 -0.06 0.00 1.07 0.00 0.00 42.92 41.34 1ufn s ASP 48 CO 0.00 -0.65 1.01 0.26 1.18 0.00 0.00 175.17 176.97 1ufn s TRP 49 N 1.25 3.38 -0.03 4.23 0.52 -1.26 -1.37 118.94 125.66 1ufn s TRP 49 Ca 0.64 1.45 -0.04 0.00 0.02 0.00 0.00 56.10 58.17 1ufn s TRP 49 Cb -0.36 -2.83 0.01 0.00 -1.15 0.00 0.00 33.47 29.14 1ufn s TRP 49 CO 0.30 -0.57 0.11 -0.51 0.02 0.00 0.00 176.95 176.29 1ufn s LEU 50 N -4.33 1.62 0.45 2.99 1.43 0.39 -4.92 118.68 116.31 1ufn s LEU 50 Ca 0.59 0.06 -0.23 0.00 -1.03 0.00 0.00 54.13 53.53 1ufn s LEU 50 Cb -0.11 0.44 -0.08 0.00 0.03 0.00 0.00 46.19 46.47 1ufn s LEU 50 CO 0.36 -0.14 1.13 0.42 0.23 0.00 0.00 176.35 178.35 1ufn s THR 51 N -0.42 3.28 0.49 5.49 -4.23 -1.26 -2.07 115.64 116.93 1ufn s THR 51 Ca -0.05 0.96 0.43 0.00 -1.18 0.00 0.00 61.69 61.85 1ufn s THR 51 Cb -0.03 -3.49 0.64 0.00 1.34 0.00 0.00 72.50 70.96 1ufn s THR 51 CO 0.00 -0.02 1.45 0.52 -0.54 0.00 0.00 174.62 176.04 1ufn n VAL 52 N -0.41 -0.05 -0.01 2.29 0.31 -1.21 0.13 118.33 119.37 1ufn n VAL 52 Ca 0.07 1.45 -0.20 0.00 -0.01 0.00 0.00 64.34 65.65 1ufn n VAL 52 Cb 0.49 -2.41 -0.14 0.00 -0.91 0.00 0.00 33.84 30.87 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 0.18 0.12 5.55 3.64 -1.89 -3.35 116.57 120.81 1ufn h LYS 53 Ca 0.86 -0.30 0.02 0.00 -1.27 0.00 0.00 60.65 59.96 1ufn h LYS 53 Cb 3.32 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 35.21 1ufn h LYS 53 CO -0.11 1.14 -0.37 0.93 -2.27 0.00 0.00 179.45 178.78 1ufn h GLU 54 N -0.56 -0.58 -1.05 1.90 4.39 0.67 -1.43 114.58 117.92 1ufn h GLU 54 Ca -0.21 0.04 0.40 0.00 0.34 0.00 0.00 59.36 59.93 1ufn h GLU 54 Cb 1.51 0.13 -0.17 0.00 -0.10 0.00 0.00 28.75 30.13 1ufn h GLU 54 CO 0.04 -0.39 0.59 0.35 -1.16 0.00 0.00 179.01 178.44 1ufn h PHE 55 N -0.60 0.81 -0.12 4.33 3.57 -1.38 0.61 116.94 124.16 1ufn h PHE 55 Ca 0.03 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1ufn h PHE 55 Cb 0.63 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1ufn h PHE 55 CO -0.33 -0.37 0.04 -0.07 -2.23 0.00 0.00 178.31 175.35 1ufn h LEU 56 N 0.09 0.18 -1.50 0.59 3.38 -1.40 -2.77 115.31 113.88 1ufn h LEU 56 Ca 0.82 -0.21 0.13 0.00 0.09 0.00 0.00 57.88 58.71 1ufn h LEU 56 Cb 2.17 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 42.81 1ufn h LEU 56 CO -0.68 0.34 0.51 0.78 0.09 0.00 0.00 178.44 179.48 1ufn h ASN 57 N 0.01 0.48 -0.97 -0.43 2.35 0.48 0.32 115.58 117.82 1ufn h ASN 57 Ca 0.04 0.02 0.08 0.00 -0.55 0.00 0.00 56.30 55.89 1ufn h ASN 57 Cb 0.23 -0.07 -0.07 0.00 0.05 0.00 0.00 38.32 38.46 1ufn h ASN 57 CO -0.00 0.26 0.63 -0.33 -1.65 0.00 0.00 177.43 176.33 1ufn h GLU 58 N 0.51 1.06 0.11 0.81 5.08 -1.09 -2.70 114.58 118.36 1ufn h GLU 58 Ca 0.37 -0.06 -0.31 0.00 -1.00 0.00 0.00 59.36 58.36 1ufn h GLU 58 Cb 0.73 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1ufn h GLU 58 CO -0.13 0.70 -1.61 0.78 -1.00 0.00 0.00 179.01 177.75 1ufn h GLY 59 N 1.09 0.26 0.00 -3.84 0.00 -1.08 -3.43 103.07 96.06 1ufn h GLY 59 Ca 0.43 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1ufn h GLY 59 CO -0.18 0.57 0.00 0.61 0.00 0.00 0.00 176.54 177.55 1ufn n GLY 60 N 1.70 1.94 0.24 4.60 0.00 -0.08 -4.46 105.19 109.13 1ufn n GLY 60 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.30 1.93 -0.32 1.61 1.74 -0.97 -4.78 116.66 115.57 1ufn n ARG 61 Ca 0.00 -2.44 0.08 0.00 -0.77 0.00 0.00 57.85 54.73 1ufn n ARG 61 Cb 0.00 -1.48 0.19 0.00 -1.02 0.00 0.00 32.46 30.16 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 0.85 -1.07 7.54 0.00 -1.88 0.83 119.26 125.96 1ufn h ALA 62 Ca 0.00 0.33 0.29 0.00 0.00 0.00 0.00 54.91 55.53 1ufn h ALA 62 Cb 0.99 0.61 -0.10 0.00 0.00 0.00 0.00 17.79 19.29 1ufn h ALA 62 CO 0.04 -0.46 0.68 0.00 0.00 0.00 0.00 179.25 179.51 1ufn h THR 63 N 0.02 0.47 -3.02 0.00 1.03 -1.95 -3.42 112.91 106.05 1ufn h THR 63 Ca 0.49 -0.13 -0.58 0.00 -0.01 0.00 0.00 66.41 66.19 1ufn h THR 63 Cb 0.89 0.07 0.13 0.00 -1.07 0.00 0.00 68.15 68.17 1ufn h THR 63 CO -0.89 0.07 0.11 -1.54 -0.01 0.00 0.00 175.52 173.26 1ufn n SER 64 N -4.66 1.06 -0.11 0.00 3.41 0.29 -4.94 113.62 108.67 1ufn n SER 64 Ca 0.27 1.01 -0.22 0.00 -0.26 0.00 0.00 58.87 59.68 1ufn n SER 64 Cb 0.94 -1.34 -0.12 0.00 -0.26 0.00 0.00 64.21 63.43 1ufn n SER 64 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1ufn n LYS 65 N 0.12 0.65 -2.90 4.33 4.81 -1.26 -4.87 118.16 119.04 1ufn n LYS 65 Ca 0.10 0.22 -0.42 0.00 -0.87 0.00 0.00 58.31 57.34 1ufn n LYS 65 Cb 0.39 -1.56 -0.05 0.00 0.02 0.00 0.00 35.03 33.84 1ufn n LYS 65 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1ufn s ASP 66 N -6.86 6.58 0.16 3.14 -1.08 -1.26 -4.91 116.67 112.45 1ufn s ASP 66 Ca -0.33 0.39 0.10 0.00 -0.52 0.00 0.00 52.55 52.18 1ufn s ASP 66 Cb 0.10 -2.42 -0.12 0.00 -1.46 0.00 0.00 42.92 39.01 1ufn s ASP 66 CO 0.60 -0.79 1.31 4.11 0.52 0.00 0.00 175.17 180.92 1ufn h TRP 67 N 8.53 0.00 0.00 -5.34 5.08 -1.92 -3.06 115.95 119.25 1ufn h TRP 67 Ca -0.24 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.69 1ufn h TRP 67 Cb 1.09 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.24 1ufn h TRP 67 CO 0.81 0.84 -0.18 0.87 -1.28 0.00 0.00 178.44 179.50 1ufn h LYS 68 N 0.00 0.00 0.13 0.12 1.57 -1.91 -0.47 116.57 116.01 1ufn h LYS 68 Ca -0.02 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.46 1ufn h LYS 68 Cb 1.65 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.96 1ufn h LYS 68 CO 0.11 0.18 -1.59 0.78 -0.57 0.00 0.00 179.45 178.36 1ufn h GLY 69 N 1.39 0.31 0.91 3.86 0.00 -1.92 -0.43 103.07 107.18 1ufn h GLY 69 Ca -0.00 -0.78 -0.11 0.00 0.00 0.00 0.00 47.33 46.43 1ufn h GLY 69 CO 0.02 0.68 -0.30 -0.39 0.00 0.00 0.00 176.54 176.56 1ufn h VAL 70 N -0.19 1.32 -3.25 4.60 -1.51 -1.48 -3.44 116.25 112.31 1ufn h VAL 70 Ca -0.34 -1.49 -0.54 0.00 -1.23 0.00 0.00 66.70 63.10 1ufn h VAL 70 Cb 1.86 1.75 -0.01 0.00 -2.13 0.00 0.00 31.29 32.76 1ufn h VAL 70 CO 0.07 0.46 0.52 -0.63 -1.23 0.00 0.00 177.57 176.77 1ufn s ILE 71 N -4.23 4.37 -0.02 7.19 1.01 -0.19 -4.66 121.20 124.66 1ufn s ILE 71 Ca -0.13 1.70 0.07 0.00 0.00 0.00 0.00 60.65 62.29 1ufn s ILE 71 Cb 0.07 -4.09 -0.02 0.00 0.01 0.00 0.00 42.46 38.44 1ufn s ILE 71 CO 0.81 0.11 -0.25 -0.13 0.00 0.00 0.00 174.94 175.48 1ufn s ARG 72 N 1.24 2.10 -0.01 2.79 0.52 0.42 -3.25 118.95 122.76 1ufn s ARG 72 Ca 0.56 -0.90 -0.01 0.00 -0.52 0.00 0.00 55.73 54.86 1ufn s ARG 72 Cb -0.26 -1.99 -0.00 0.00 0.52 0.00 0.00 34.95 33.22 1ufn s ARG 72 CO 0.27 0.52 -0.01 0.00 0.02 0.00 0.00 175.30 176.10 1ufn n ASN 74 N -2.44 2.60 0.00 0.00 3.02 -1.26 -4.47 115.26 112.71 1ufn n ASN 74 Ca -0.00 -2.86 0.00 0.00 -0.03 0.00 0.00 54.58 51.69 1ufn n ASN 74 Cb 0.02 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 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 -1.03 1.04 3.68 7.41 0.00 -1.26 -5.13 105.19 109.90 1ufn n GLY 75 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1ufn n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ufn s GLU 76 N 0.00 2.09 -0.02 1.61 8.01 -1.26 -5.03 118.70 124.10 1ufn s GLU 76 Ca 0.00 -1.97 -0.25 0.00 0.01 0.00 0.00 54.97 52.75 1ufn s GLU 76 Cb 0.00 -1.81 -0.04 0.00 -4.31 0.00 0.00 34.13 27.97 1ufn s GLU 76 CO 0.00 -0.08 0.77 0.95 0.01 0.00 0.00 175.26 176.91 1ufn s THR 77 N -2.65 4.91 0.35 3.63 -4.23 -1.26 -2.61 115.64 113.78 1ufn s THR 77 Ca 0.38 1.62 0.20 0.00 -1.18 0.00 0.00 61.69 62.71 1ufn s THR 77 Cb 0.07 -4.12 0.33 0.00 1.34 0.00 0.00 72.50 70.13 1ufn s THR 77 CO 0.20 0.27 1.48 0.18 -0.54 0.00 0.00 174.62 176.22 1ufn n LEU 78 N 3.49 0.32 -0.04 4.79 4.77 -0.17 0.11 117.00 130.27 1ufn n LEU 78 Ca -0.00 1.55 -0.09 0.00 -0.03 0.00 0.00 56.01 57.44 1ufn n LEU 78 Cb 0.51 -0.75 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 1ufn n LEU 78 CO 0.48 -1.73 0.86 -0.09 -1.33 0.00 0.00 177.39 175.58 1ufn h ARG 79 N 0.00 0.07 -0.49 3.23 1.12 -1.90 0.64 114.38 117.05 1ufn h ARG 79 Ca 0.80 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 59.65 1ufn h ARG 79 Cb 2.14 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 32.06 1ufn h ARG 79 CO -0.71 0.04 0.26 1.25 -3.11 0.00 0.00 179.97 177.70 1ufn h HIS 80 N 0.07 0.69 -0.53 2.20 2.76 0.42 -2.68 115.15 118.08 1ufn h HIS 80 Ca 0.09 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.24 1ufn h HIS 80 Cb 0.11 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 28.83 1ufn h HIS 80 CO -0.17 0.52 0.35 -0.07 -1.30 0.00 0.00 177.93 177.26 1ufn h LEU 81 N 0.65 0.60 -0.91 0.26 3.38 -0.97 -2.41 115.31 115.91 1ufn h LEU 81 Ca 0.17 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.23 1ufn h LEU 81 Cb 0.08 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.60 1ufn h LEU 81 CO -0.03 0.44 0.55 -0.08 0.09 0.00 0.00 178.44 179.41 1ufn h GLU 82 N 0.71 0.88 -0.69 1.13 4.81 -0.64 -0.39 114.58 120.39 1ufn h GLU 82 Ca 0.19 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1ufn h GLU 82 Cb -0.08 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.06 1ufn h GLU 82 CO -0.04 0.58 0.46 1.96 -0.73 0.00 0.00 179.01 181.24 1ufn h GLN 83 N 0.91 0.91 -0.46 1.92 4.20 -1.11 -0.02 115.11 121.46 1ufn h GLN 83 Ca 0.44 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.10 1ufn h GLN 83 Cb 0.40 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1ufn h GLN 83 CO -0.25 0.60 0.00 1.63 -0.67 0.00 0.00 178.83 180.14 1ufn n LYS 84 N -4.43 1.28 -2.71 1.46 5.02 -0.26 -4.84 118.16 113.68 1ufn n LYS 84 Ca 0.07 -0.30 -0.18 0.00 -2.02 0.00 0.00 58.31 55.88 1ufn n LYS 84 Cb 0.04 -1.28 0.02 0.00 -0.02 0.00 0.00 35.03 33.78 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 0.38 -0.31 0.11 0.72 0.00 -0.02 -4.90 105.19 101.17 1ufn n GLY 85 Ca 0.03 -0.08 -0.13 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 -3.06 1.50 -4.46 0.99 4.77 -0.56 -4.95 117.00 111.22 1ufn n LEU 86 Ca -0.13 -0.07 -0.33 0.00 -0.03 0.00 0.00 56.01 55.46 1ufn n LEU 86 Cb 0.62 -0.19 -0.13 0.00 -2.33 0.00 0.00 43.42 41.38 1ufn n LEU 86 CO 0.34 0.69 -0.43 -0.22 -1.33 0.00 0.00 177.39 176.44 1ufn s LEU 87 N -5.91 2.84 0.14 2.23 2.96 -1.23 -4.85 118.68 114.85 1ufn s LEU 87 Ca -0.21 -0.20 -0.05 0.00 -0.22 0.00 0.00 54.13 53.45 1ufn s LEU 87 Cb 0.07 -1.61 -0.06 0.00 0.50 0.00 0.00 46.19 45.09 1ufn s LEU 87 CO 0.67 0.28 1.34 2.19 -1.32 0.00 0.00 176.35 179.51 1ufn h PHE 88 N 5.84 0.65 -6.43 5.38 -0.00 -1.92 -3.40 116.94 117.07 1ufn h PHE 88 Ca -0.39 -0.33 -0.50 0.00 -0.00 0.00 0.00 57.97 56.75 1ufn h PHE 88 Cb 1.18 -0.09 -0.08 0.00 -0.00 0.00 0.00 35.95 36.96 1ufn h PHE 88 CO 0.51 1.13 -0.78 -1.13 -0.00 0.00 0.00 178.31 178.04 1ufn n SER 89 N -3.80 -4.22 -1.47 -0.68 3.41 -1.26 -4.61 113.62 100.99 1ufn n SER 89 Ca -0.06 -0.85 0.19 0.00 -0.26 0.00 0.00 58.87 57.89 1ufn n SER 89 Cb 0.79 -3.56 -0.07 0.00 -0.26 0.00 0.00 64.21 61.10 1ufn n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ufn n GLY 90 N -1.62 -2.76 0.20 5.00 0.00 -1.26 -4.39 105.19 100.36 1ufn n GLY 90 Ca 0.04 -1.09 0.05 0.00 0.00 0.00 0.00 46.02 45.02 1ufn n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ufn h PRO 91 N -1.41 0.00 -6.12 1.61 0.13 -1.89 -3.47 132.00 120.84 1ufn h PRO 91 Ca -0.10 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.59 1ufn h PRO 91 Cb 1.38 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.55 1ufn h PRO 91 CO 0.05 0.35 -0.75 0.45 -0.23 0.00 0.00 178.00 177.87 1ufn n SER 92 N -3.72 -4.37 -3.72 1.44 2.88 -1.26 -4.98 113.62 99.89 1ufn n SER 92 Ca -0.01 -0.72 -0.12 0.00 -1.33 0.00 0.00 58.87 56.69 1ufn n SER 92 Cb 0.45 -4.26 -0.13 0.00 -0.75 0.00 0.00 64.21 59.51 1ufn n SER 92 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ufn s SER 93 N -3.56 -0.27 0.00 -3.46 0.01 -1.26 -5.28 113.70 99.87 1ufn s SER 93 Ca 0.49 0.55 0.01 0.00 1.31 0.00 0.00 55.95 58.31 1ufn s SER 93 Cb -0.24 0.44 0.01 0.00 0.21 0.00 0.00 66.02 66.44 1ufn s SER 93 CO 0.80 -0.17 0.54 0.61 0.41 0.00 0.00 173.24 175.43