#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 5.28 -0.19 1.61 0.15 -1.26 -5.06 113.70 114.23 1ufn s SER 2 Ca 0.00 -0.11 -0.15 0.00 0.70 0.00 0.00 55.95 56.39 1ufn s SER 2 Cb 0.00 -0.77 -0.10 0.00 -1.71 0.00 0.00 66.02 63.45 1ufn s SER 2 CO 0.00 -1.13 -0.10 -0.24 1.20 0.00 0.00 173.24 172.97 1ufn n SER 3 N -2.30 1.86 0.00 5.45 2.88 -1.26 -5.07 113.62 115.18 1ufn n SER 3 Ca 0.09 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 1ufn n SER 3 Cb 0.60 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 1ufn n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ufn n GLY 4 N 1.49 2.34 0.14 0.46 0.00 -1.26 -4.95 105.19 103.41 1ufn n GLY 4 Ca -0.22 -0.41 -0.04 0.00 0.00 0.00 0.00 46.02 45.35 1ufn n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ufn h SER 5 N 0.00 -0.21 -1.79 1.61 0.02 -2.07 -3.47 113.55 107.63 1ufn h SER 5 Ca 0.00 0.01 -0.47 0.00 -0.84 0.00 0.00 61.79 60.49 1ufn h SER 5 Cb 0.00 0.05 0.07 0.00 0.14 0.00 0.00 62.40 62.66 1ufn h SER 5 CO 0.00 0.25 0.04 -0.94 -1.14 0.00 0.00 176.83 175.04 1ufn s SER 6 N -5.22 4.58 0.00 3.07 1.04 -1.26 -5.13 113.70 110.78 1ufn s SER 6 Ca -0.04 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1ufn s SER 6 Cb 0.00 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1ufn s SER 6 CO 0.11 -1.69 0.00 0.61 0.98 0.00 0.00 173.24 173.25 1ufn n GLY 7 N -2.65 5.18 3.85 7.32 0.00 -1.26 -4.46 105.19 113.16 1ufn n GLY 7 Ca 0.15 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 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 0.55 6.74 -0.01 1.61 3.04 -1.26 -4.94 114.94 120.67 1ufn s ASN 8 Ca 0.00 1.38 0.20 0.00 0.04 0.00 0.00 52.86 54.48 1ufn s ASN 8 Cb 0.00 -2.42 -0.25 0.00 -1.54 0.00 0.00 41.25 37.05 1ufn s ASN 8 CO 0.00 -0.33 0.76 0.47 -3.04 0.00 0.00 177.10 174.97 1ufn n ASP 9 N -0.76 0.78 -4.75 -4.21 9.92 -1.26 -4.98 116.55 111.29 1ufn n ASP 9 Ca 0.04 -0.74 -0.36 0.00 -0.53 0.00 0.00 54.79 53.20 1ufn n ASP 9 Cb 0.54 1.23 0.05 0.00 -0.64 0.00 0.00 41.12 42.29 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 -3.04 2.48 0.19 2.24 0.00 -1.26 -4.93 121.76 117.44 1ufn s ALA 10 Ca 0.04 1.06 0.15 0.00 0.00 0.00 0.00 51.96 53.20 1ufn s ALA 10 Cb 0.15 -3.48 0.48 0.00 0.00 0.00 0.00 23.12 20.27 1ufn s ALA 10 CO 0.84 -1.31 1.65 -0.39 0.00 0.00 0.00 175.76 176.54 1ufn h VAL 11 N 0.73 1.13 0.00 0.00 -1.51 -2.04 -2.95 116.25 111.62 1ufn h VAL 11 Ca -0.50 -1.88 0.00 0.00 -1.23 0.00 0.00 66.70 63.08 1ufn h VAL 11 Cb 1.31 2.08 0.00 0.00 -2.13 0.00 0.00 31.29 32.55 1ufn h VAL 11 CO 0.54 0.49 0.06 -0.67 -1.23 0.00 0.00 177.57 176.76 1ufn n ASP 12 N -3.61 0.26 0.19 4.19 2.03 -1.26 -0.88 116.55 117.48 1ufn n ASP 12 Ca -0.00 0.59 0.05 0.00 0.52 0.00 0.00 54.79 55.95 1ufn n ASP 12 Cb 0.58 -0.61 0.39 0.00 -0.72 0.00 0.00 41.12 40.76 1ufn n ASP 12 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1ufn h PHE 13 N 0.00 0.00 0.69 -0.67 3.57 -1.81 -2.83 116.94 115.89 1ufn h PHE 13 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1ufn h PHE 13 Cb 0.11 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.86 1ufn h PHE 13 CO 0.00 0.36 -0.33 0.77 -2.23 0.00 0.00 178.31 176.88 1ufn h SER 14 N 0.00 -0.79 0.00 0.41 0.02 -1.24 -3.01 113.55 108.94 1ufn h SER 14 Ca -0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1ufn h SER 14 Cb 0.76 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1ufn h SER 14 CO 0.05 -0.41 0.00 -0.81 -1.14 0.00 0.00 176.83 174.52 1ufn n PRO 15 N -5.39 0.49 -4.60 3.45 -0.04 -1.23 -4.67 135.00 123.01 1ufn n PRO 15 Ca -0.12 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.11 1ufn n PRO 15 Cb 0.37 -1.36 -0.14 0.00 -0.04 0.00 0.00 33.50 32.32 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 1.36 -0.00 0.52 -4.23 -1.07 -1.21 115.64 109.01 1ufn s THR 16 Ca 0.17 -0.96 0.02 0.00 -1.18 0.00 0.00 61.69 59.74 1ufn s THR 16 Cb 0.08 -1.18 -0.01 0.00 1.34 0.00 0.00 72.50 72.73 1ufn s THR 16 CO 0.13 0.20 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.59 1ufn s LEU 17 N -0.88 2.02 -0.08 4.79 1.43 -0.23 -4.75 118.68 120.97 1ufn s LEU 17 Ca 0.05 -0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.73 1ufn s LEU 17 Cb -0.08 -0.31 -0.04 0.00 0.03 0.00 0.00 46.19 45.79 1ufn s LEU 17 CO 0.01 0.07 1.52 -2.16 0.23 0.00 0.00 176.35 176.01 1ufn s PRO 18 N -0.18 4.20 0.07 1.29 0.04 -1.26 -0.89 135.00 138.27 1ufn s PRO 18 Ca 0.02 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.14 1ufn s PRO 18 Cb -0.03 -3.88 -0.03 0.00 0.04 0.00 0.00 34.50 30.60 1ufn s PRO 18 CO -0.00 -0.78 -0.19 0.14 0.04 0.00 0.00 177.00 176.21 1ufn s VAL 19 N 3.73 1.53 -0.09 -0.36 -7.23 -1.12 -3.98 120.40 112.88 1ufn s VAL 19 Ca 0.67 -1.30 -0.04 0.00 -1.81 0.00 0.00 61.98 59.49 1ufn s VAL 19 Cb -0.30 -1.37 0.04 0.00 0.56 0.00 0.00 36.38 35.32 1ufn s VAL 19 CO 0.25 0.02 0.20 0.42 -0.31 0.00 0.00 175.10 175.68 1ufn s THR 20 N -1.00 -0.08 -0.31 5.32 -4.23 -0.38 -1.64 115.64 113.33 1ufn s THR 20 Ca 0.05 0.18 0.02 0.00 -1.18 0.00 0.00 61.69 60.77 1ufn s THR 20 Cb -0.09 -0.32 0.09 0.00 1.34 0.00 0.00 72.50 73.52 1ufn s THR 20 CO 0.03 0.08 0.04 0.00 -0.54 0.00 0.00 174.62 174.22 1ufn n GLY 22 N 4.47 1.36 1.42 0.00 0.00 -1.26 0.50 105.19 111.68 1ufn n GLY 22 Ca -0.01 0.48 0.07 0.00 0.00 0.00 0.00 46.02 46.56 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 3.47 -5.10 1.61 4.76 -1.25 -4.89 118.16 116.76 1ufn n LYS 23 Ca 0.00 -2.37 -0.32 0.00 -2.87 0.00 0.00 58.31 52.76 1ufn n LYS 23 Cb 0.00 -1.87 -0.15 0.00 -1.84 0.00 0.00 35.03 31.17 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 -1.96 2.40 -0.02 7.82 0.00 0.18 -4.61 121.76 125.57 1ufn s ALA 24 Ca 0.42 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1ufn s ALA 24 Cb 0.28 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.66 1ufn s ALA 24 CO 0.18 0.53 0.02 0.15 0.00 0.00 0.00 175.76 176.64 1ufn s LYS 25 N -0.61 -0.01 0.00 0.00 1.02 -1.26 0.15 119.74 119.04 1ufn s LYS 25 Ca 0.09 0.15 0.00 0.00 0.02 0.00 0.00 55.97 56.23 1ufn s LYS 25 Cb -0.11 -0.23 0.00 0.00 -0.52 0.00 0.00 37.83 36.97 1ufn s LYS 25 CO 0.00 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.70 1ufn n GLY 26 N 4.00 3.31 3.29 -3.33 0.00 -0.65 -1.50 105.19 110.32 1ufn n GLY 26 Ca -0.25 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.45 -0.01 -0.11 2.61 2.01 0.32 -2.80 115.64 117.20 1ufn s THR 27 Ca 0.00 0.03 -0.13 0.00 0.31 0.00 0.00 61.69 61.90 1ufn s THR 27 Cb 0.00 -0.59 -0.05 0.00 0.01 0.00 0.00 72.50 71.87 1ufn s THR 27 CO 0.00 0.01 0.31 -0.22 -0.69 0.00 0.00 174.62 174.03 1ufn s LEU 28 N 0.63 4.34 -0.41 4.42 2.96 -0.07 -0.15 118.68 130.40 1ufn s LEU 28 Ca -0.03 0.65 -0.05 0.00 -0.22 0.00 0.00 54.13 54.47 1ufn s LEU 28 Cb -0.05 -2.40 0.10 0.00 0.50 0.00 0.00 46.19 44.34 1ufn s LEU 28 CO -0.04 0.21 0.22 -0.36 -1.32 0.00 0.00 176.35 175.05 1ufn s PHE 29 N -0.21 3.48 0.32 5.38 0.40 -1.13 -1.07 117.98 125.16 1ufn s PHE 29 Ca 0.19 -2.10 0.08 0.00 -0.60 0.00 0.00 56.93 54.49 1ufn s PHE 29 Cb -0.14 -3.10 0.92 0.00 0.51 0.00 0.00 43.02 41.21 1ufn s PHE 29 CO 0.07 -0.94 1.59 1.96 0.70 0.00 0.00 175.22 178.61 1ufn h GLN 30 N 8.18 0.06 -0.90 0.44 4.20 -1.53 1.26 115.11 126.82 1ufn h GLN 30 Ca -0.17 -0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.63 1ufn h GLN 30 Cb 1.06 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.76 1ufn h GLN 30 CO 0.72 0.04 0.58 1.05 -0.67 0.00 0.00 178.83 180.55 1ufn h GLU 31 N 0.07 0.90 0.00 1.46 4.11 -1.94 0.49 114.58 119.67 1ufn h GLU 31 Ca 0.66 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 60.04 1ufn h GLU 31 Cb 1.50 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1ufn h GLU 31 CO -0.81 0.59 -0.45 0.87 0.07 0.00 0.00 179.01 179.29 1ufn h LYS 32 N 0.93 0.00 0.03 1.06 1.57 0.10 -3.31 116.57 116.95 1ufn h LYS 32 Ca 0.41 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.91 1ufn h LYS 32 Cb 0.36 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 1ufn h LYS 32 CO -0.17 0.00 -1.55 1.25 -0.57 0.00 0.00 179.45 178.41 1ufn h LEU 33 N 0.00 0.10 -0.72 2.94 5.85 0.14 -3.36 115.31 120.27 1ufn h LEU 33 Ca 0.00 -0.18 0.08 0.00 0.84 0.00 0.00 57.88 58.63 1ufn h LEU 33 Cb 0.82 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.75 1ufn h LEU 33 CO 0.00 1.15 0.38 0.11 -0.34 0.00 0.00 178.44 179.74 1ufn h LYS 34 N 0.02 0.64 0.20 1.25 1.57 -0.22 -2.58 116.57 117.45 1ufn h LYS 34 Ca -0.23 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.52 1ufn h LYS 34 Cb 1.96 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 34.10 1ufn h LYS 34 CO 0.11 0.42 -0.26 1.96 -0.57 0.00 0.00 179.45 181.11 1ufn h GLN 35 N 0.66 -0.50 -1.10 3.15 4.20 -1.72 -3.44 115.11 116.36 1ufn h GLN 35 Ca 0.34 0.03 0.22 0.00 0.06 0.00 0.00 58.65 59.31 1ufn h GLN 35 Cb 0.32 0.11 -0.28 0.00 0.30 0.00 0.00 27.48 27.93 1ufn h GLN 35 CO -0.24 -0.33 0.91 0.20 -0.67 0.00 0.00 178.83 178.70 1ufn s GLY 36 N -2.34 0.11 0.00 3.46 0.00 -0.97 -5.00 107.32 102.58 1ufn s GLY 36 Ca -0.16 2.91 0.00 0.00 0.00 0.00 0.00 44.72 47.47 1ufn s GLY 36 CO 0.65 1.27 0.83 0.00 0.00 0.00 0.00 173.10 175.84 1ufn n ALA 37 N 0.75 2.49 -0.03 3.20 0.00 -1.26 -2.99 120.51 122.68 1ufn n ALA 37 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.44 1ufn n ALA 37 Cb 0.58 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.33 1.39 -4.88 0.00 2.88 -1.26 -3.58 113.62 107.84 1ufn n SER 38 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1ufn n SER 38 Cb 0.08 1.44 0.02 0.00 -0.75 0.00 0.00 64.21 65.00 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 -2.85 3.38 -0.55 -1.46 1.02 -1.16 -4.62 119.74 113.50 1ufn s LYS 39 Ca -0.06 0.59 -0.27 0.00 0.02 0.00 0.00 55.97 56.25 1ufn s LYS 39 Cb 0.08 -2.10 -0.01 0.00 -0.52 0.00 0.00 37.83 35.28 1ufn s LYS 39 CO 0.64 -0.66 1.70 0.15 -0.92 0.00 0.00 175.35 176.25 1ufn s LYS 40 N -5.18 2.99 -0.01 1.68 -0.14 -1.26 -4.03 119.74 113.79 1ufn s LYS 40 Ca 0.55 0.70 0.02 0.00 -1.36 0.00 0.00 55.97 55.88 1ufn s LYS 40 Cb -0.11 -4.26 -0.03 0.00 -1.68 0.00 0.00 37.83 31.75 1ufn s LYS 40 CO 0.52 -2.30 0.03 0.00 -0.76 0.00 0.00 175.35 172.84 1ufn s ILE 42 N -2.10 4.40 -0.31 0.00 1.01 -0.66 -2.85 121.20 120.68 1ufn s ILE 42 Ca -0.01 -0.16 -0.21 0.00 0.00 0.00 0.00 60.65 60.28 1ufn s ILE 42 Cb 0.01 -4.60 -0.01 0.00 0.01 0.00 0.00 42.46 37.88 1ufn s ILE 42 CO 0.09 -1.28 0.65 -1.58 0.00 0.00 0.00 174.94 172.82 1ufn s GLN 43 N 3.88 3.88 1.03 2.79 0.74 0.79 0.68 119.66 133.45 1ufn s GLN 43 Ca 0.24 0.30 -0.15 0.00 0.05 0.00 0.00 55.36 55.79 1ufn s GLN 43 Cb -0.16 -3.74 0.21 0.00 1.10 0.00 0.00 33.01 30.42 1ufn s GLN 43 CO 0.13 -0.61 1.16 0.54 -0.55 0.00 0.00 175.29 175.97 1ufn s ASN 44 N 1.66 2.48 0.57 6.67 2.20 0.27 0.12 114.94 128.90 1ufn s ASN 44 Ca 0.26 0.74 0.26 0.00 -0.94 0.00 0.00 52.86 53.18 1ufn s ASN 44 Cb -0.15 -1.11 1.60 0.00 -2.00 0.00 0.00 41.25 39.59 1ufn s ASN 44 CO 0.12 -3.17 2.14 1.05 -2.94 0.00 0.00 177.10 174.30 1ufn h GLU 45 N -1.93 0.00 0.00 3.55 4.11 -1.59 0.24 114.58 118.96 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 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1ufn h GLU 45 CO 0.48 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.56 1ufn n ALA 46 N -2.40 2.46 0.00 1.06 0.00 -1.26 -4.85 120.51 115.52 1ufn n ALA 46 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1ufn n ALA 46 Cb 0.25 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 0.61 3.01 3.76 0.00 0.00 0.85 -4.99 105.19 108.42 1ufn n GLY 47 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1ufn n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ufn s ASP 48 N -1.35 6.82 0.07 1.61 2.15 -1.26 -4.64 116.67 120.07 1ufn s ASP 48 Ca 0.00 2.62 -0.17 0.00 0.43 0.00 0.00 52.55 55.43 1ufn s ASP 48 Cb 0.00 -2.64 -0.06 0.00 -0.30 0.00 0.00 42.92 39.91 1ufn s ASP 48 CO 0.00 -0.51 0.52 0.26 -0.17 0.00 0.00 175.17 175.27 1ufn s TRP 49 N -0.90 3.74 -0.01 -5.34 0.52 -1.26 -0.56 118.94 115.13 1ufn s TRP 49 Ca 0.50 1.16 0.04 0.00 0.02 0.00 0.00 56.10 57.82 1ufn s TRP 49 Cb -0.39 -2.42 -0.01 0.00 -1.15 0.00 0.00 33.47 29.51 1ufn s TRP 49 CO 0.49 0.57 -0.13 -0.51 0.02 0.00 0.00 176.95 177.39 1ufn s LEU 50 N -1.29 2.04 0.54 2.99 2.01 0.21 -4.91 118.68 120.27 1ufn s LEU 50 Ca 0.30 -0.25 -0.19 0.00 0.01 0.00 0.00 54.13 54.00 1ufn s LEU 50 Cb -0.18 -0.64 -0.06 0.00 0.01 0.00 0.00 46.19 45.32 1ufn s LEU 50 CO 0.18 0.14 1.10 0.42 1.01 0.00 0.00 176.35 179.20 1ufn s THR 51 N -0.35 3.40 0.49 5.49 -4.23 -1.26 -1.65 115.64 117.54 1ufn s THR 51 Ca 0.05 0.83 0.35 0.00 -1.18 0.00 0.00 61.69 61.73 1ufn s THR 51 Cb -0.05 -3.32 0.51 0.00 1.34 0.00 0.00 72.50 70.98 1ufn s THR 51 CO -0.00 -0.23 1.24 0.52 -0.54 0.00 0.00 174.62 175.61 1ufn n VAL 52 N -1.38 0.00 -0.09 2.29 0.31 -1.23 0.32 118.33 118.55 1ufn n VAL 52 Ca 0.11 1.19 -0.13 0.00 -0.01 0.00 0.00 64.34 65.50 1ufn n VAL 52 Cb 0.52 -2.04 -0.07 0.00 -0.91 0.00 0.00 33.84 31.34 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 -0.25 5.55 3.64 -1.88 -3.38 116.57 120.25 1ufn h LYS 53 Ca 0.65 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 60.06 1ufn h LYS 53 Cb 2.94 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 34.69 1ufn h LYS 53 CO -0.01 0.53 -0.51 0.93 -2.27 0.00 0.00 179.45 178.12 1ufn h GLU 54 N -1.00 -0.44 -0.83 1.90 4.39 -0.46 -0.09 114.58 118.04 1ufn h GLU 54 Ca -0.17 0.03 0.29 0.00 0.34 0.00 0.00 59.36 59.85 1ufn h GLU 54 Cb 0.88 0.10 -0.15 0.00 -0.10 0.00 0.00 28.75 29.48 1ufn h GLU 54 CO -0.10 -0.29 0.23 0.34 -1.16 0.00 0.00 179.01 178.03 1ufn n PHE 55 N -5.20 0.75 0.03 4.33 7.35 -0.46 0.13 117.46 124.37 1ufn n PHE 55 Ca -0.05 0.99 -0.12 0.00 -0.76 0.00 0.00 57.45 57.51 1ufn n PHE 55 Cb 0.33 -1.26 -0.08 0.00 0.35 0.00 0.00 39.48 38.82 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 -0.01 -1.32 -2.13 3.38 -1.19 -2.78 115.31 111.26 1ufn h LEU 56 Ca 0.61 -0.17 0.19 0.00 0.09 0.00 0.00 57.88 58.60 1ufn h LEU 56 Cb 1.45 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.13 1ufn h LEU 56 CO -0.71 0.16 0.60 0.78 0.09 0.00 0.00 178.44 179.36 1ufn h ASN 57 N -0.18 0.57 -0.90 -0.43 2.35 0.14 0.21 115.58 117.34 1ufn h ASN 57 Ca -0.00 0.06 0.09 0.00 -0.55 0.00 0.00 56.30 55.90 1ufn h ASN 57 Cb 0.18 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 38.43 1ufn h ASN 57 CO 0.00 0.23 0.58 -0.33 -1.65 0.00 0.00 177.43 176.27 1ufn h GLU 58 N 0.57 0.89 0.09 0.81 5.08 -1.04 -2.72 114.58 118.26 1ufn h GLU 58 Ca 0.50 -0.05 -0.33 0.00 -1.00 0.00 0.00 59.36 58.48 1ufn h GLU 58 Cb 1.01 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1ufn h GLU 58 CO -0.24 0.59 -1.81 0.78 -1.00 0.00 0.00 179.01 177.33 1ufn h GLY 59 N 0.91 0.22 0.00 -3.84 0.00 -0.82 -3.40 103.07 96.14 1ufn h GLY 59 Ca 0.41 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1ufn h GLY 59 CO -0.18 0.49 0.00 0.61 0.00 0.00 0.00 176.54 177.46 1ufn n GLY 60 N 1.79 1.76 0.23 4.60 0.00 0.46 -3.81 105.19 110.23 1ufn n GLY 60 Ca -0.24 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.11 1.98 -0.34 1.61 5.12 -0.94 -4.74 116.66 119.24 1ufn n ARG 61 Ca 0.00 -2.39 0.17 0.00 -1.93 0.00 0.00 57.85 53.69 1ufn n ARG 61 Cb 0.00 -1.45 0.37 0.00 -1.16 0.00 0.00 32.46 30.22 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 0.42 1.74 -0.38 7.54 0.00 -1.88 0.05 119.26 126.75 1ufn h ALA 62 Ca 0.00 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1ufn h ALA 62 Cb 0.97 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1ufn h ALA 62 CO 0.04 -0.25 0.11 1.79 0.00 0.00 0.00 179.25 180.93 1ufn h THR 63 N 0.58 0.85 -3.28 0.00 1.35 -1.96 -3.43 112.91 107.03 1ufn h THR 63 Ca 0.63 -0.08 -0.57 0.00 -0.55 0.00 0.00 66.41 65.83 1ufn h THR 63 Cb 1.17 0.58 0.13 0.00 -1.73 0.00 0.00 68.15 68.31 1ufn h THR 63 CO -0.47 0.05 0.26 -1.20 -0.25 0.00 0.00 175.52 173.90 1ufn n SER 64 N -5.05 1.58 -0.01 5.36 7.64 0.00 -4.97 113.62 118.17 1ufn n SER 64 Ca 0.02 1.02 -0.01 0.00 1.01 0.00 0.00 58.87 60.92 1ufn n SER 64 Cb 0.15 -1.40 -0.00 0.00 -1.01 0.00 0.00 64.21 61.95 1ufn n SER 64 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1ufn h LYS 65 N 1.55 0.00 -6.04 1.43 1.79 -1.84 -3.45 116.57 110.01 1ufn h LYS 65 Ca -0.46 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.41 1ufn h LYS 65 Cb 1.33 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.98 1ufn h LYS 65 CO 0.57 0.00 1.43 -0.25 -1.08 0.00 0.00 179.45 180.12 1ufn n ASP 66 N -2.64 3.14 0.09 0.86 8.00 -1.26 -4.83 116.55 119.90 1ufn n ASP 66 Ca -0.01 0.35 -0.08 0.00 0.71 0.00 0.00 54.79 55.76 1ufn n ASP 66 Cb 0.04 -1.49 -0.01 0.00 -0.02 0.00 0.00 41.12 39.64 1ufn n ASP 66 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 1ufn h TRP 67 N 13.82 0.24 0.00 1.24 5.08 -1.90 -3.08 115.95 131.35 1ufn h TRP 67 Ca -0.40 -0.13 -0.01 0.00 1.08 0.00 0.00 58.89 59.43 1ufn h TRP 67 Cb 1.26 -0.03 -0.00 0.00 -3.00 0.00 0.00 29.16 27.39 1ufn h TRP 67 CO 0.94 0.95 -0.06 0.87 -1.28 0.00 0.00 178.44 179.86 1ufn h LYS 68 N 0.09 0.00 0.07 0.12 1.57 -1.88 -0.75 116.57 115.79 1ufn h LYS 68 Ca -0.04 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.58 1ufn h LYS 68 Cb 1.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.81 1ufn h LYS 68 CO 0.13 0.06 -0.80 0.78 -0.57 0.00 0.00 179.45 179.05 1ufn h GLY 69 N 0.97 0.16 1.89 3.86 0.00 -1.93 -2.99 103.07 105.02 1ufn h GLY 69 Ca -0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 1ufn h GLY 69 CO 0.01 0.37 -0.45 -0.39 0.00 0.00 0.00 176.54 176.07 1ufn h VAL 70 N -0.65 1.33 -3.36 4.60 -1.51 -1.48 -3.43 116.25 111.75 1ufn h VAL 70 Ca -0.18 -1.59 -0.56 0.00 -1.23 0.00 0.00 66.70 63.14 1ufn h VAL 70 Cb 1.42 1.79 -0.06 0.00 -2.13 0.00 0.00 31.29 32.32 1ufn h VAL 70 CO 0.02 0.47 0.06 -0.63 -1.23 0.00 0.00 177.57 176.26 1ufn s ILE 71 N -4.03 5.05 -0.04 7.19 1.01 -0.30 -4.51 121.20 125.57 1ufn s ILE 71 Ca -0.03 1.39 0.06 0.00 0.00 0.00 0.00 60.65 62.06 1ufn s ILE 71 Cb 0.13 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 1ufn s ILE 71 CO 0.76 0.27 -0.22 -0.13 0.00 0.00 0.00 174.94 175.61 1ufn s ARG 72 N 0.73 2.35 -0.27 2.79 0.52 -0.59 -3.31 118.95 121.17 1ufn s ARG 72 Ca 0.36 -0.85 0.02 0.00 -0.52 0.00 0.00 55.73 54.74 1ufn s ARG 72 Cb -0.17 -2.18 0.07 0.00 0.52 0.00 0.00 34.95 33.19 1ufn s ARG 72 CO 0.17 0.53 -0.06 0.00 0.02 0.00 0.00 175.30 175.96 1ufn n ASN 74 N 4.48 -4.57 0.00 0.00 4.13 -1.26 -1.88 115.26 116.16 1ufn n ASN 74 Ca -0.10 -0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.08 1ufn n ASN 74 Cb 0.43 -3.61 0.00 0.00 -1.54 0.00 0.00 39.78 35.06 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 -1.12 1.59 3.19 7.41 0.00 -1.26 -5.01 105.19 109.98 1ufn n GLY 75 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.35 3.03 0.61 1.61 8.01 -0.79 -5.07 118.70 125.76 1ufn s GLU 76 Ca 0.00 -0.86 -0.19 0.00 0.01 0.00 0.00 54.97 53.93 1ufn s GLU 76 Cb 0.00 -2.40 -0.03 0.00 -4.31 0.00 0.00 34.13 27.39 1ufn s GLU 76 CO 0.00 0.05 1.23 0.25 0.01 0.00 0.00 175.26 176.80 1ufn n THR 77 N 3.90 4.41 -0.22 3.63 -2.24 -1.26 0.06 114.28 122.57 1ufn n THR 77 Ca -0.20 -0.50 0.03 0.00 -2.27 0.00 0.00 64.05 61.11 1ufn n THR 77 Cb 0.52 -1.45 0.13 0.00 -2.10 0.00 0.00 70.33 67.43 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 0.73 -0.05 -0.90 3.22 3.38 -1.52 0.31 115.31 120.49 1ufn h LEU 78 Ca -0.50 0.13 0.06 0.00 0.09 0.00 0.00 57.88 57.66 1ufn h LEU 78 Cb 1.34 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 42.22 1ufn h LEU 78 CO 0.53 -0.03 0.57 -0.09 0.09 0.00 0.00 178.44 179.51 1ufn h ARG 79 N 0.24 1.00 -0.57 1.13 9.65 -1.89 -1.59 114.38 122.35 1ufn h ARG 79 Ca 0.35 -0.06 0.01 0.00 -1.10 0.00 0.00 59.98 59.18 1ufn h ARG 79 Cb 0.57 -0.23 -0.03 0.00 -1.39 0.00 0.00 29.97 28.89 1ufn h ARG 79 CO -0.47 0.66 0.38 1.25 2.80 0.00 0.00 179.97 184.60 1ufn h HIS 80 N 1.03 0.72 -0.43 2.20 2.76 -1.29 -1.92 115.15 118.22 1ufn h HIS 80 Ca 0.39 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.56 1ufn h HIS 80 Cb 0.17 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 1ufn h HIS 80 CO -0.02 0.45 0.20 -0.07 -1.30 0.00 0.00 177.93 177.20 1ufn h LEU 81 N 0.78 0.56 -0.51 0.26 3.38 -0.70 -2.65 115.31 116.42 1ufn h LEU 81 Ca 0.21 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1ufn h LEU 81 Cb -0.09 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 1ufn h LEU 81 CO -0.05 0.53 0.25 -0.08 0.09 0.00 0.00 178.44 179.19 1ufn h GLU 82 N 0.55 0.47 -0.81 1.13 4.22 -1.00 0.22 114.58 119.36 1ufn h GLU 82 Ca 0.15 -0.03 0.06 0.00 0.08 0.00 0.00 59.36 59.62 1ufn h GLU 82 Cb 0.12 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1ufn h GLU 82 CO -0.02 0.31 0.53 1.96 -2.18 0.00 0.00 179.01 179.61 1ufn h GLN 83 N 0.48 0.88 -0.18 1.92 4.20 -1.14 0.15 115.11 121.42 1ufn h GLN 83 Ca 0.23 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1ufn h GLN 83 Cb 0.16 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1ufn h GLN 83 CO -0.17 0.58 0.00 1.63 -0.67 0.00 0.00 178.83 180.20 1ufn n LYS 84 N -4.48 1.42 -2.63 1.46 5.02 -0.64 -4.88 118.16 113.44 1ufn n LYS 84 Ca 0.12 -0.65 -0.19 0.00 -2.02 0.00 0.00 58.31 55.57 1ufn n LYS 84 Cb 0.19 -1.14 0.01 0.00 -0.02 0.00 0.00 35.03 34.07 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 0.78 -0.37 0.12 0.72 0.00 0.54 -4.90 105.19 102.09 1ufn n GLY 85 Ca 0.06 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 2.01 -4.76 0.99 4.77 0.68 -4.97 117.00 112.67 1ufn n LEU 86 Ca -0.16 -0.08 -0.32 0.00 -0.03 0.00 0.00 56.01 55.43 1ufn n LEU 86 Cb 0.63 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 41.19 1ufn n LEU 86 CO 0.33 0.79 -0.27 -0.22 -1.33 0.00 0.00 177.39 176.69 1ufn s LEU 87 N -6.21 3.78 -0.02 2.23 2.96 -1.17 -4.92 118.68 115.33 1ufn s LEU 87 Ca -0.26 0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1ufn s LEU 87 Cb 0.08 -2.32 -0.27 0.00 0.50 0.00 0.00 46.19 44.19 1ufn s LEU 87 CO 0.68 0.23 0.76 2.19 -1.32 0.00 0.00 176.35 178.89 1ufn h PHE 88 N 3.77 0.38 -6.28 5.38 -0.00 -1.94 -3.40 116.94 114.86 1ufn h PHE 88 Ca -0.48 -0.28 -0.46 0.00 -0.00 0.00 0.00 57.97 56.75 1ufn h PHE 88 Cb 1.17 -0.02 -0.01 0.00 -0.00 0.00 0.00 35.95 37.10 1ufn h PHE 88 CO 0.62 1.38 -0.82 -1.13 -0.00 0.00 0.00 178.31 178.36 1ufn n SER 89 N -3.39 -2.08 0.00 -0.68 3.41 -1.26 -4.66 113.62 104.95 1ufn n SER 89 Ca -0.19 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.56 1ufn n SER 89 Cb 1.04 -3.70 0.00 0.00 -0.26 0.00 0.00 64.21 61.29 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 -1.69 -0.88 0.39 5.00 0.00 -1.26 -4.96 105.19 101.79 1ufn n GLY 90 Ca -0.19 -1.68 -0.03 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.96 -1.26 -3.04 1.61 -0.04 -1.26 -4.20 135.00 125.85 1ufn n PRO 91 Ca 0.00 -0.19 -0.20 0.00 -0.04 0.00 0.00 63.50 63.07 1ufn n PRO 91 Cb 0.00 -0.18 0.00 0.00 -0.04 0.00 0.00 33.50 33.28 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 -3.21 -4.22 -4.89 3.54 3.41 -1.26 -4.94 113.62 102.05 1ufn n SER 92 Ca 0.02 -0.21 -0.36 0.00 -0.26 0.00 0.00 58.87 58.06 1ufn n SER 92 Cb 0.07 -3.50 -0.06 0.00 -0.26 0.00 0.00 64.21 60.46 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 -2.52 6.39 0.00 4.04 0.15 -1.26 -5.19 113.70 115.31 1ufn s SER 93 Ca 0.27 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.35 1ufn s SER 93 Cb -0.14 -2.05 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 1ufn s SER 93 CO 0.33 0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.73